NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
522567 | 2lkb | 17988 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ALA 1 H1 ALA 1 -8.448 7.564 7.372 2 H2 ALA 1 H2 ALA 1 -7.927 7.447 5.759 3 H3 ALA 1 H3 ALA 1 -8.975 8.699 6.226 4 HA ALA 1 HA ALA 1 -7.017 9.840 6.203 5 HB1 ALA 1 HB1 ALA 1 -6.097 9.307 8.757 6 HB2 ALA 1 HB2 ALA 1 -7.779 8.784 8.834 7 HB3 ALA 1 HB3 ALA 1 -7.390 10.437 8.358 8 H ARG 2 H ARG 2 -6.633 6.444 6.873 9 HA ARG 2 HA ARG 2 -3.798 6.658 5.971 10 HB2 ARG 2 HB3 ARG 2 -3.088 5.049 7.652 11 HB3 ARG 2 HB2 ARG 2 -3.885 6.396 8.465 12 HG2 ARG 2 HG3 ARG 2 -6.024 5.039 8.402 13 HG3 ARG 2 HG2 ARG 2 -5.056 3.672 7.847 14 HD2 ARG 2 HD3 ARG 2 -3.628 3.911 9.883 15 HD3 ARG 2 HD2 ARG 2 -4.708 5.184 10.452 16 HE ARG 2 HE ARG 2 -5.242 2.336 10.561 17 HH11 ARG 2 HH22 ARG 2 -6.597 5.481 10.167 18 HH12 ARG 2 HH21 ARG 2 -8.155 5.032 10.774 19 HH21 ARG 2 HH11 ARG 2 -7.270 1.731 11.358 20 HH22 ARG 2 HH12 ARG 2 -8.535 2.909 11.449 21 H ASP 3 H ASP 3 -2.994 4.547 5.106 22 HA ASP 3 HA ASP 3 -5.202 3.128 3.730 23 HB2 ASP 3 HB3 ASP 3 -2.201 3.067 3.303 24 HB3 ASP 3 HB2 ASP 3 -3.369 2.162 2.341 25 H ALA 4 H ALA 4 -5.534 0.896 3.986 26 HA ALA 4 HA ALA 4 -4.213 -0.271 6.369 27 HB1 ALA 4 HB1 ALA 4 -6.503 -0.506 6.672 28 HB2 ALA 4 HB2 ALA 4 -6.109 -2.049 5.916 29 HB3 ALA 4 HB3 ALA 4 -6.808 -0.748 4.951 30 H TYR 5 H TYR 5 -5.401 -1.598 3.266 31 HA TYR 5 HA TYR 5 -3.041 -3.436 3.291 32 HB2 TYR 5 HB3 TYR 5 -5.466 -3.775 1.540 33 HB3 TYR 5 HB2 TYR 5 -4.354 -5.005 2.140 34 HD1 TYR 5 HD1 TYR 5 -7.098 -2.699 3.087 35 HD2 TYR 5 HD2 TYR 5 -4.637 -6.002 4.305 36 HE1 TYR 5 HE1 TYR 5 -8.585 -3.088 5.036 37 HE2 TYR 5 HE2 TYR 5 -6.121 -6.391 6.256 38 HH TYR 5 HH TYR 5 -7.811 -5.551 7.472 39 H ILE 6 H ILE 6 -3.975 -0.587 1.911 40 HA ILE 6 HA ILE 6 -2.794 -1.242 -0.741 41 HB ILE 6 HB ILE 6 -4.375 1.189 0.126 42 HG12 ILE 6 HG13 ILE 6 -5.194 -1.185 -1.577 43 HG13 ILE 6 HG12 ILE 6 -5.686 -0.932 0.097 44 HG21 ILE 6 HG21 ILE 6 -2.801 1.609 -1.738 45 HG22 ILE 6 HG22 ILE 6 -4.477 1.670 -2.283 46 HG23 ILE 6 HG23 ILE 6 -3.493 0.245 -2.617 47 HD11 ILE 6 HD11 ILE 6 -7.343 0.436 -0.565 48 HD12 ILE 6 HD12 ILE 6 -6.911 0.109 -2.244 49 HD13 ILE 6 HD13 ILE 6 -6.182 1.473 -1.394 50 H ALA 7 H ALA 7 -0.984 -0.162 -1.475 51 HA ALA 7 HA ALA 7 0.255 1.833 0.367 52 HB1 ALA 7 HB1 ALA 7 1.233 -0.771 -0.343 53 HB2 ALA 7 HB2 ALA 7 1.989 0.435 0.700 54 HB3 ALA 7 HB3 ALA 7 2.303 0.445 -1.035 55 H LYS 8 H LYS 8 -0.495 0.787 -2.843 56 HA LYS 8 HA LYS 8 1.028 3.062 -4.005 57 HB2 LYS 8 HB3 LYS 8 -0.381 1.235 -5.838 58 HB3 LYS 8 HB2 LYS 8 1.293 1.787 -5.875 59 HG2 LYS 8 HG3 LYS 8 1.650 0.234 -3.840 60 HG3 LYS 8 HG2 LYS 8 0.115 -0.500 -4.301 61 HD2 LYS 8 HD3 LYS 8 2.483 -0.176 -6.168 62 HD3 LYS 8 HD2 LYS 8 2.106 -1.659 -5.293 63 HE2 LYS 8 HE3 LYS 8 -0.310 -1.102 -6.451 64 HE3 LYS 8 HE2 LYS 8 0.806 -0.498 -7.676 65 HZ1 LYS 8 HZ1 LYS 8 1.422 -2.552 -8.208 66 HZ2 LYS 8 HZ2 LYS 8 0.083 -3.095 -7.321 67 HZ3 LYS 8 HZ3 LYS 8 1.612 -3.019 -6.586 68 HA PRO 9 HA PRO 9 -2.279 5.833 -4.836 69 HB2 PRO 9 HB2 PRO 9 -1.921 4.971 -7.700 70 HB3 PRO 9 HB3 PRO 9 -2.168 6.604 -7.047 71 HG2 PRO 9 HG3 PRO 9 0.255 5.722 -7.703 72 HG3 PRO 9 HG2 PRO 9 -0.002 6.774 -6.301 73 HD2 PRO 9 HD3 PRO 9 0.747 3.920 -6.363 74 HD3 PRO 9 HD2 PRO 9 0.910 5.095 -5.041 75 H HIS 10 H HIS 10 -3.521 4.521 -7.675 76 HA HIS 10 HA HIS 10 -5.885 3.535 -6.243 77 HB2 HIS 10 HB3 HIS 10 -5.278 3.757 -9.208 78 HB3 HIS 10 HB2 HIS 10 -6.838 3.290 -8.529 79 HD1 HIS 10 HD1 HIS 10 -4.590 6.239 -9.037 80 HD2 HIS 10 HD2 HIS 10 -8.271 5.422 -7.252 81 HE1 HIS 10 HE1 HIS 10 -5.660 8.482 -8.539 82 HE2 HIS 10 HE2 HIS 10 -7.900 7.996 -7.453 83 H ASN 11 H ASN 11 -2.983 2.204 -7.125 84 HA ASN 11 HA ASN 11 -4.139 -0.459 -7.782 85 HB2 ASN 11 HB3 ASN 11 -1.254 0.480 -7.801 86 HB3 ASN 11 HB2 ASN 11 -1.842 -1.075 -8.389 87 HD21 ASN 11 HD22 ASN 11 -0.780 1.750 -9.601 88 HD22 ASN 11 HD21 ASN 11 -1.768 1.898 -10.974 89 H CYS 12 H CYS 12 -3.556 -2.306 -6.505 90 HA CYS 12 HA CYS 12 -2.747 -1.605 -3.717 91 HB2 CYS 12 HB3 CYS 12 -4.209 -4.075 -4.692 92 HB3 CYS 12 HB2 CYS 12 -3.938 -3.605 -3.017 93 H VAL 13 H VAL 13 -1.505 -3.394 -2.586 94 HA VAL 13 HA VAL 13 0.736 -4.204 -4.292 95 HB VAL 13 HB VAL 13 0.215 -4.854 -1.374 96 HG11 VAL 13 HG11 VAL 13 2.825 -4.868 -1.490 97 HG12 VAL 13 HG12 VAL 13 2.580 -5.078 -3.224 98 HG13 VAL 13 HG13 VAL 13 1.943 -6.272 -2.093 99 HG21 VAL 13 HG21 VAL 13 0.240 -2.484 -1.494 100 HG22 VAL 13 HG22 VAL 13 1.484 -2.477 -2.744 101 HG23 VAL 13 HG23 VAL 13 1.900 -2.916 -1.087 102 H TYR 14 H TYR 14 1.035 -6.228 -5.149 103 HA TYR 14 HA TYR 14 -1.102 -8.106 -5.250 104 HB2 TYR 14 HB3 TYR 14 0.411 -9.541 -6.423 105 HB3 TYR 14 HB2 TYR 14 0.859 -7.895 -6.868 106 HD1 TYR 14 HD2 TYR 14 2.827 -6.796 -5.789 107 HD2 TYR 14 HD1 TYR 14 1.897 -10.943 -5.161 108 HE1 TYR 14 HE2 TYR 14 5.120 -7.178 -4.922 109 HE2 TYR 14 HE1 TYR 14 4.190 -11.325 -4.294 110 HH TYR 14 HH TYR 14 6.525 -10.091 -4.668 111 H GLU 15 H GLU 15 1.822 -8.004 -3.227 112 HA GLU 15 HA GLU 15 0.553 -9.385 -1.056 113 HB2 GLU 15 HB3 GLU 15 0.839 -11.298 -2.697 114 HB3 GLU 15 HB2 GLU 15 2.581 -11.060 -2.563 115 HG2 GLU 15 HG3 GLU 15 2.408 -11.388 -0.101 116 HG3 GLU 15 HG2 GLU 15 0.689 -11.731 -0.293 117 H CYS 16 H CYS 16 1.589 -7.706 0.137 118 HA CYS 16 HA CYS 16 4.421 -7.190 -0.084 119 HB2 CYS 16 HB3 CYS 16 4.153 -5.797 1.856 120 HB3 CYS 16 HB2 CYS 16 2.695 -5.604 0.886 121 H PHE 17 H PHE 17 6.102 -8.206 0.938 122 HA PHE 17 HA PHE 17 5.387 -10.487 2.730 123 HB2 PHE 17 HB3 PHE 17 7.148 -11.686 1.821 124 HB3 PHE 17 HB2 PHE 17 6.705 -10.697 0.434 125 HD1 PHE 17 HD2 PHE 17 7.881 -8.341 0.285 126 HD2 PHE 17 HD1 PHE 17 9.360 -11.660 2.577 127 HE1 PHE 17 HE2 PHE 17 10.150 -7.339 0.275 128 HE2 PHE 17 HE1 PHE 17 11.626 -10.656 2.568 129 HZ PHE 17 HZ PHE 17 12.021 -8.498 1.419 130 H ASP 18 H ASP 18 8.200 -10.743 3.598 131 HA ASP 18 HA ASP 18 8.092 -9.173 5.954 132 HB2 ASP 18 HB3 ASP 18 10.485 -10.417 4.569 133 HB3 ASP 18 HB2 ASP 18 10.520 -9.746 6.199 134 H ALA 19 H ALA 19 8.874 -7.147 6.461 135 HA ALA 19 HA ALA 19 9.404 -5.340 4.240 136 HB1 ALA 19 HB1 ALA 19 9.715 -3.662 6.132 137 HB2 ALA 19 HB2 ALA 19 9.338 -4.979 7.243 138 HB3 ALA 19 HB3 ALA 19 8.138 -4.450 6.063 139 H PHE 20 H PHE 20 11.370 -7.572 5.453 140 HA PHE 20 HA PHE 20 13.724 -6.316 6.338 141 HB2 PHE 20 HB3 PHE 20 13.384 -8.795 6.159 142 HB3 PHE 20 HB2 PHE 20 13.584 -8.656 4.411 143 HD1 PHE 20 HD1 PHE 20 15.273 -8.270 7.686 144 HD2 PHE 20 HD2 PHE 20 15.749 -8.283 3.416 145 HE1 PHE 20 HE1 PHE 20 17.737 -8.341 7.961 146 HE2 PHE 20 HE2 PHE 20 18.213 -8.354 3.692 147 HZ PHE 20 HZ PHE 20 19.207 -8.383 5.964 148 H SER 21 H SER 21 12.577 -6.822 3.005 149 HA SER 21 HA SER 21 14.876 -5.355 1.908 150 HB2 SER 21 HB3 SER 21 12.363 -6.409 0.575 151 HB3 SER 21 HB2 SER 21 13.739 -5.709 -0.270 152 HG SER 21 HG SER 21 14.282 -7.777 -0.269 153 H SER 22 H SER 22 12.340 -4.359 3.619 154 HA SER 22 HA SER 22 11.126 -2.356 3.766 155 HB2 SER 22 HB3 SER 22 13.431 -1.405 2.041 156 HB3 SER 22 HB2 SER 22 12.287 -0.351 2.865 157 HG SER 22 HG SER 22 13.075 -1.000 4.797 158 H TYR 23 H TYR 23 10.622 -4.251 1.483 159 HA TYR 23 HA TYR 23 10.085 -2.821 -0.918 160 HB2 TYR 23 HB3 TYR 23 10.028 -5.294 -0.747 161 HB3 TYR 23 HB2 TYR 23 8.571 -5.180 0.242 162 HD1 TYR 23 HD1 TYR 23 9.979 -4.744 -3.137 163 HD2 TYR 23 HD2 TYR 23 6.436 -4.510 -0.720 164 HE1 TYR 23 HE1 TYR 23 8.591 -4.617 -5.187 165 HE2 TYR 23 HE2 TYR 23 5.045 -4.386 -2.771 166 HH TYR 23 HH TYR 23 5.177 -3.899 -5.052 167 H CYS 24 H CYS 24 7.869 -3.619 1.771 168 HA CYS 24 HA CYS 24 5.694 -2.047 0.738 169 HB2 CYS 24 HB3 CYS 24 5.580 -3.878 2.526 170 HB3 CYS 24 HB2 CYS 24 6.180 -2.667 3.659 171 H ASN 25 H ASN 25 8.063 -1.407 3.324 172 HA ASN 25 HA ASN 25 7.264 1.266 3.858 173 HB2 ASN 25 HB3 ASN 25 10.063 0.096 3.996 174 HB3 ASN 25 HB2 ASN 25 9.506 1.551 4.822 175 HD21 ASN 25 HD22 ASN 25 7.064 -0.851 4.663 176 HD22 ASN 25 HD21 ASN 25 7.247 -1.466 6.235 177 H GLY 26 H GLY 26 9.413 -0.108 1.420 178 HA2 GLY 26 HA3 GLY 26 10.566 2.281 0.433 179 HA3 GLY 26 HA2 GLY 26 10.285 0.838 -0.541 180 H VAL 27 H VAL 27 7.475 0.702 -0.424 181 HA VAL 27 HA VAL 27 6.751 2.586 -2.454 182 HB VAL 27 HB VAL 27 5.018 0.906 -0.620 183 HG11 VAL 27 HG11 VAL 27 4.389 2.842 -2.798 184 HG12 VAL 27 HG12 VAL 27 3.440 2.399 -1.380 185 HG13 VAL 27 HG13 VAL 27 3.479 1.332 -2.783 186 HG21 VAL 27 HG21 VAL 27 5.229 0.297 -3.497 187 HG22 VAL 27 HG22 VAL 27 5.312 -0.789 -2.110 188 HG23 VAL 27 HG23 VAL 27 6.743 0.111 -2.612 189 H CYS 28 H CYS 28 5.987 2.465 1.024 190 HA CYS 28 HA CYS 28 4.553 4.978 1.016 191 HB2 CYS 28 HB3 CYS 28 5.798 3.320 3.223 192 HB3 CYS 28 HB2 CYS 28 4.945 4.829 3.537 193 H THR 29 H THR 29 7.914 4.092 1.214 194 HA THR 29 HA THR 29 8.952 6.426 2.483 195 HB THR 29 HB THR 29 10.279 4.705 0.373 196 HG1 THR 29 HG1 THR 29 10.625 4.480 3.148 197 HG21 THR 29 HG21 THR 29 11.533 6.728 0.706 198 HG22 THR 29 HG22 THR 29 12.351 5.458 1.617 199 HG23 THR 29 HG23 THR 29 11.334 6.630 2.455 200 H LYS 30 H LYS 30 7.967 5.866 -0.854 201 HA LYS 30 HA LYS 30 9.316 7.946 -2.161 202 HB2 LYS 30 HB3 LYS 30 6.580 6.752 -2.547 203 HB3 LYS 30 HB2 LYS 30 7.114 8.101 -3.550 204 HG2 LYS 30 HG3 LYS 30 7.675 6.043 -4.696 205 HG3 LYS 30 HG2 LYS 30 9.172 6.777 -4.119 206 HD2 LYS 30 HD3 LYS 30 9.302 5.268 -2.263 207 HD3 LYS 30 HD2 LYS 30 7.665 4.675 -2.551 208 HE2 LYS 30 HE3 LYS 30 8.301 3.528 -4.518 209 HE3 LYS 30 HE2 LYS 30 9.817 4.419 -4.647 210 HZ1 LYS 30 HZ1 LYS 30 10.464 3.357 -2.498 211 HZ2 LYS 30 HZ2 LYS 30 10.330 2.284 -3.804 212 HZ3 LYS 30 HZ3 LYS 30 9.096 2.359 -2.639 213 H ASN 31 H ASN 31 6.523 8.156 -0.015 214 HA ASN 31 HA ASN 31 5.716 10.813 -0.574 215 HB2 ASN 31 HB3 ASN 31 4.655 9.106 1.043 216 HB3 ASN 31 HB2 ASN 31 5.840 9.682 2.217 217 HD21 ASN 31 HD22 ASN 31 5.081 11.369 3.488 218 HD22 ASN 31 HD21 ASN 31 3.905 12.498 3.016 219 H GLY 32 H GLY 32 8.416 9.578 1.329 220 HA2 GLY 32 HA3 GLY 32 10.451 10.891 1.604 221 HA3 GLY 32 HA2 GLY 32 9.476 12.357 1.483 222 H ALA 33 H ALA 33 7.771 10.214 3.341 223 HA ALA 33 HA ALA 33 9.101 10.391 5.882 224 HB1 ALA 33 HB1 ALA 33 7.038 12.016 6.639 225 HB2 ALA 33 HB2 ALA 33 7.430 12.679 5.052 226 HB3 ALA 33 HB3 ALA 33 8.671 12.586 6.302 227 H LYS 34 H LYS 34 6.217 9.971 3.970 228 HA LYS 34 HA LYS 34 4.399 8.978 5.872 229 HB2 LYS 34 HB3 LYS 34 3.952 9.324 3.421 230 HB3 LYS 34 HB2 LYS 34 4.861 7.850 3.096 231 HG2 LYS 34 HG3 LYS 34 3.302 6.544 4.416 232 HG3 LYS 34 HG2 LYS 34 2.429 7.997 4.878 233 HD2 LYS 34 HD3 LYS 34 2.143 8.409 2.345 234 HD3 LYS 34 HD2 LYS 34 2.612 6.721 2.156 235 HE2 LYS 34 HE3 LYS 34 0.407 6.269 2.456 236 HE3 LYS 34 HE2 LYS 34 0.721 6.587 4.162 237 HZ1 LYS 34 HZ1 LYS 34 -0.867 8.127 3.876 238 HZ2 LYS 34 HZ2 LYS 34 -0.651 8.215 2.196 239 HZ3 LYS 34 HZ3 LYS 34 0.397 9.062 3.232 240 H SER 35 H SER 35 4.252 7.030 6.998 241 HA SER 35 HA SER 35 6.491 5.105 6.525 242 HB2 SER 35 HB3 SER 35 5.057 5.726 9.118 243 HB3 SER 35 HB2 SER 35 6.363 4.561 8.921 244 HG SER 35 HG SER 35 6.441 7.373 8.547 245 H GLY 36 H GLY 36 5.934 2.983 6.182 246 HA2 GLY 36 HA3 GLY 36 3.211 2.087 6.919 247 HA3 GLY 36 HA2 GLY 36 3.683 1.955 5.225 248 H TYR 37 H TYR 37 3.000 -0.303 6.755 249 HA TYR 37 HA TYR 37 5.572 -1.761 6.632 250 HB2 TYR 37 HB3 TYR 37 5.299 -2.829 8.743 251 HB3 TYR 37 HB2 TYR 37 5.068 -1.108 9.034 252 HD1 TYR 37 HD2 TYR 37 2.791 -0.182 9.345 253 HD2 TYR 37 HD1 TYR 37 3.510 -4.395 8.988 254 HE1 TYR 37 HE2 TYR 37 0.540 -0.642 10.289 255 HE2 TYR 37 HE1 TYR 37 1.267 -4.860 9.937 256 HH TYR 37 HH TYR 37 -0.378 -3.565 11.495 257 H CYS 38 H CYS 38 5.091 -4.226 6.707 258 HA CYS 38 HA CYS 38 2.765 -4.655 4.915 259 HB2 CYS 38 HB3 CYS 38 4.816 -5.449 3.994 260 HB3 CYS 38 HB2 CYS 38 5.251 -6.268 5.490 261 H GLN 39 H GLN 39 0.974 -5.598 5.652 262 HA GLN 39 HA GLN 39 1.157 -7.325 8.091 263 HB2 GLN 39 HB3 GLN 39 -0.133 -5.016 8.150 264 HB3 GLN 39 HB2 GLN 39 -1.386 -5.931 7.311 265 HG2 GLN 39 HG3 GLN 39 -1.301 -7.644 9.132 266 HG3 GLN 39 HG2 GLN 39 -0.145 -6.630 9.989 267 HE21 GLN 39 HE22 GLN 39 -2.007 -4.385 8.516 268 HE22 GLN 39 HE21 GLN 39 -3.213 -4.164 9.691 269 H ILE 40 H ILE 40 -1.850 -7.792 7.481 270 HA ILE 40 HA ILE 40 -1.369 -9.871 5.391 271 HB ILE 40 HB ILE 40 -3.163 -11.150 6.436 272 HG12 ILE 40 HG13 ILE 40 -3.360 -8.821 8.378 273 HG13 ILE 40 HG12 ILE 40 -4.560 -9.225 7.150 274 HG21 ILE 40 HG21 ILE 40 -0.676 -10.553 7.603 275 HG22 ILE 40 HG22 ILE 40 -1.686 -11.962 7.930 276 HG23 ILE 40 HG23 ILE 40 -1.832 -10.518 8.935 277 HD11 ILE 40 HD11 ILE 40 -3.759 -10.872 9.557 278 HD12 ILE 40 HD12 ILE 40 -4.715 -11.524 8.226 279 HD13 ILE 40 HD13 ILE 40 -5.344 -10.192 9.195 280 H LEU 41 H LEU 41 -2.802 -10.010 3.661 281 HA LEU 41 HA LEU 41 -4.141 -7.657 2.803 282 HB2 LEU 41 HB3 LEU 41 -3.412 -9.553 1.321 283 HB3 LEU 41 HB2 LEU 41 -4.752 -10.505 1.959 284 HG LEU 41 HG LEU 41 -6.309 -8.673 1.212 285 HD11 LEU 41 HD11 LEU 41 -5.335 -6.704 0.684 286 HD12 LEU 41 HD12 LEU 41 -4.832 -7.470 -0.822 287 HD13 LEU 41 HD13 LEU 41 -3.739 -7.445 0.562 288 HD21 LEU 41 HD21 LEU 41 -5.779 -9.197 -1.340 289 HD22 LEU 41 HD22 LEU 41 -6.366 -10.462 -0.261 290 HD23 LEU 41 HD23 LEU 41 -4.646 -10.347 -0.629 291 H GLY 42 H GLY 42 -5.308 -10.501 4.544 292 HA2 GLY 42 HA3 GLY 42 -7.175 -9.701 6.198 293 HA3 GLY 42 HA2 GLY 42 -8.022 -9.288 4.704 294 H THR 43 H THR 43 -7.764 -11.260 3.036 295 HA THR 43 HA THR 43 -8.767 -13.649 4.499 296 HB THR 43 HB THR 43 -9.017 -13.577 1.558 297 HG1 THR 43 HG1 THR 43 -9.448 -11.456 1.829 298 HG21 THR 43 HG21 THR 43 -11.219 -14.425 2.061 299 HG22 THR 43 HG22 THR 43 -11.080 -13.925 3.746 300 HG23 THR 43 HG23 THR 43 -10.076 -15.238 3.130 301 H TYR 44 H TYR 44 -7.138 -13.163 1.372 302 HA TYR 44 HA TYR 44 -5.099 -15.180 2.212 303 HB2 TYR 44 HB3 TYR 44 -6.388 -14.931 -0.523 304 HB3 TYR 44 HB2 TYR 44 -5.127 -16.082 -0.078 305 HD1 TYR 44 HD1 TYR 44 -5.600 -17.834 1.666 306 HD2 TYR 44 HD2 TYR 44 -8.678 -15.319 0.037 307 HE1 TYR 44 HE1 TYR 44 -7.327 -19.401 2.511 308 HE2 TYR 44 HE2 TYR 44 -10.404 -16.886 0.883 309 HH TYR 44 HH TYR 44 -9.648 -19.444 3.075 310 H GLY 45 H GLY 45 -2.984 -14.801 1.368 311 HA2 GLY 45 HA3 GLY 45 -1.328 -13.589 0.138 312 HA3 GLY 45 HA2 GLY 45 -2.571 -12.441 -0.358 313 H ASN 46 H ASN 46 -0.752 -10.910 0.308 314 HA ASN 46 HA ASN 46 -0.902 -10.348 3.226 315 HB2 ASN 46 HB3 ASN 46 1.360 -9.868 1.272 316 HB3 ASN 46 HB2 ASN 46 1.344 -9.305 2.937 317 HD21 ASN 46 HD22 ASN 46 0.215 -11.548 4.247 318 HD22 ASN 46 HD21 ASN 46 1.266 -12.872 4.084 319 H GLY 47 H GLY 47 -0.609 -7.954 3.714 320 HA2 GLY 47 HA3 GLY 47 -1.569 -6.237 1.462 321 HA3 GLY 47 HA2 GLY 47 -2.403 -6.194 3.015 322 H CYS 48 H CYS 48 -0.956 -4.006 1.660 323 HA CYS 48 HA CYS 48 1.360 -3.611 3.473 324 HB2 CYS 48 HB3 CYS 48 0.629 -2.661 0.797 325 HB3 CYS 48 HB2 CYS 48 1.234 -1.384 1.851 326 H TRP 49 H TRP 49 1.383 -1.983 5.000 327 HA TRP 49 HA TRP 49 -1.177 -0.491 5.368 328 HB2 TRP 49 HB3 TRP 49 -0.198 -2.229 7.120 329 HB3 TRP 49 HB2 TRP 49 0.818 -0.860 7.567 330 HD1 TRP 49 HD1 TRP 49 -0.373 1.298 8.568 331 HE1 TRP 49 HE1 TRP 49 -2.681 1.626 9.671 332 HE3 TRP 49 HE3 TRP 49 -2.667 -3.020 7.104 333 HZ2 TRP 49 HZ2 TRP 49 -5.172 0.235 9.902 334 HZ3 TRP 49 HZ3 TRP 49 -5.002 -3.496 7.779 335 HH2 TRP 49 HH2 TRP 49 -6.256 -1.876 9.175 336 H CYS 50 H CYS 50 -1.024 1.709 5.183 337 HA CYS 50 HA CYS 50 1.679 2.950 5.494 338 HB2 CYS 50 HB3 CYS 50 0.489 2.733 3.090 339 HB3 CYS 50 HB2 CYS 50 -0.272 4.223 3.648 340 H ILE 51 H ILE 51 1.730 4.744 6.807 341 HA ILE 51 HA ILE 51 -0.900 5.700 7.847 342 HB ILE 51 HB ILE 51 1.776 5.595 9.257 343 HG12 ILE 51 HG13 ILE 51 -0.472 4.088 10.367 344 HG13 ILE 51 HG12 ILE 51 -0.040 3.546 8.746 345 HG21 ILE 51 HG21 ILE 51 -0.632 7.102 9.751 346 HG22 ILE 51 HG22 ILE 51 0.866 7.086 10.679 347 HG23 ILE 51 HG23 ILE 51 -0.405 5.919 11.039 348 HD11 ILE 51 HD11 ILE 51 2.067 3.989 10.857 349 HD12 ILE 51 HD12 ILE 51 2.177 3.031 9.380 350 HD13 ILE 51 HD13 ILE 51 1.203 2.457 10.733 351 H ALA 52 H ALA 52 -1.321 7.835 7.831 352 HA ALA 52 HA ALA 52 0.295 10.050 8.038 353 HB1 ALA 52 HB1 ALA 52 0.420 8.873 5.283 354 HB2 ALA 52 HB2 ALA 52 1.701 9.646 6.223 355 HB3 ALA 52 HB3 ALA 52 0.446 10.624 5.466 356 H LEU 53 H LEU 53 -0.759 12.049 6.974 357 HA LEU 53 HA LEU 53 -3.638 11.505 6.376 358 HB2 LEU 53 HB3 LEU 53 -3.284 12.334 8.728 359 HB3 LEU 53 HB2 LEU 53 -2.619 13.819 8.045 360 HG LEU 53 HG LEU 53 -4.933 13.637 6.628 361 HD11 LEU 53 HD11 LEU 53 -5.400 11.574 8.184 362 HD12 LEU 53 HD12 LEU 53 -6.695 12.730 7.870 363 HD13 LEU 53 HD13 LEU 53 -5.795 12.802 9.386 364 HD21 LEU 53 HD21 LEU 53 -4.621 14.829 9.404 365 HD22 LEU 53 HD22 LEU 53 -5.822 15.313 8.207 366 HD23 LEU 53 HD23 LEU 53 -4.110 15.595 7.901 367 HA PRO 54 HA PRO 54 -1.502 13.931 2.968 368 HB2 PRO 54 HB2 PRO 54 -3.783 12.583 1.586 369 HB3 PRO 54 HB3 PRO 54 -2.100 12.775 1.058 370 HG2 PRO 54 HG3 PRO 54 -3.033 10.447 1.978 371 HG3 PRO 54 HG2 PRO 54 -1.369 10.979 2.274 372 HD2 PRO 54 HD3 PRO 54 -3.662 10.848 4.168 373 HD3 PRO 54 HD2 PRO 54 -1.918 10.734 4.493 374 H ASP 55 H ASP 55 -3.009 15.227 1.180 375 HA ASP 55 HA ASP 55 -4.334 17.270 2.585 376 HB2 ASP 55 HB3 ASP 55 -4.769 16.287 -0.250 377 HB3 ASP 55 HB2 ASP 55 -5.456 17.782 0.383 378 H ASN 56 H ASN 56 -5.623 14.265 1.224 379 HA ASN 56 HA ASN 56 -7.566 13.686 3.066 380 HB2 ASN 56 HB3 ASN 56 -8.383 16.008 1.422 381 HB3 ASN 56 HB2 ASN 56 -9.585 14.728 1.553 382 HD21 ASN 56 HD22 ASN 56 -9.084 13.796 4.180 383 HD22 ASN 56 HD21 ASN 56 -9.429 15.038 5.284 384 H VAL 57 H VAL 57 -9.695 12.694 1.782 385 HA VAL 57 HA VAL 57 -10.354 10.954 0.351 386 HB VAL 57 HB VAL 57 -8.367 12.132 -1.603 387 HG11 VAL 57 HG11 VAL 57 -9.587 11.044 -3.226 388 HG12 VAL 57 HG12 VAL 57 -11.096 11.160 -2.319 389 HG13 VAL 57 HG13 VAL 57 -9.894 9.945 -1.882 390 HG21 VAL 57 HG21 VAL 57 -9.711 13.954 -0.615 391 HG22 VAL 57 HG22 VAL 57 -11.189 13.060 -0.971 392 HG23 VAL 57 HG23 VAL 57 -10.184 13.664 -2.289 393 HA PRO 58 HA PRO 58 -6.357 8.699 1.243 394 HB2 PRO 58 HB2 PRO 58 -7.328 7.049 3.184 395 HB3 PRO 58 HB3 PRO 58 -6.693 8.669 3.527 396 HG2 PRO 58 HG3 PRO 58 -9.507 7.740 3.337 397 HG3 PRO 58 HG2 PRO 58 -8.781 8.943 4.415 398 HD2 PRO 58 HD3 PRO 58 -10.247 9.566 2.149 399 HD3 PRO 58 HD2 PRO 58 -9.054 10.648 2.900 400 H ILE 59 H ILE 59 -9.416 6.899 1.741 401 HA ILE 59 HA ILE 59 -8.574 5.068 -0.467 402 HB ILE 59 HB ILE 59 -10.279 4.430 1.961 403 HG12 ILE 59 HG13 ILE 59 -7.470 3.500 1.285 404 HG13 ILE 59 HG12 ILE 59 -7.824 4.807 2.416 405 HG21 ILE 59 HG21 ILE 59 -9.455 2.055 0.898 406 HG22 ILE 59 HG22 ILE 59 -9.644 3.024 -0.563 407 HG23 ILE 59 HG23 ILE 59 -11.007 2.808 0.534 408 HD11 ILE 59 HD11 ILE 59 -8.202 3.307 4.048 409 HD12 ILE 59 HD12 ILE 59 -7.819 2.002 2.925 410 HD13 ILE 59 HD13 ILE 59 -9.481 2.570 3.082 411 H ARG 60 H ARG 60 -9.932 5.080 -2.194 412 HA ARG 60 HA ARG 60 -12.687 6.162 -1.795 413 HB2 ARG 60 HB3 ARG 60 -11.285 6.048 -4.457 414 HB3 ARG 60 HB2 ARG 60 -12.608 7.097 -3.952 415 HG2 ARG 60 HG3 ARG 60 -10.917 8.624 -3.719 416 HG3 ARG 60 HG2 ARG 60 -10.734 7.838 -2.151 417 HD2 ARG 60 HD3 ARG 60 -9.055 6.297 -3.136 418 HD3 ARG 60 HD2 ARG 60 -9.211 7.139 -4.677 419 HE ARG 60 HE ARG 60 -8.592 9.081 -2.705 420 HH11 ARG 60 HH22 ARG 60 -7.264 6.295 -4.242 421 HH12 ARG 60 HH21 ARG 60 -5.623 6.824 -4.083 422 HH21 ARG 60 HH11 ARG 60 -6.454 9.790 -2.489 423 HH22 ARG 60 HH12 ARG 60 -5.164 8.803 -3.091 424 H ILE 61 H ILE 61 -11.080 3.332 -2.137 425 HA ILE 61 HA ILE 61 -13.395 2.072 -3.546 426 HB ILE 61 HB ILE 61 -11.506 0.365 -4.276 427 HG12 ILE 61 HG13 ILE 61 -9.901 2.005 -2.885 428 HG13 ILE 61 HG12 ILE 61 -9.338 1.137 -4.313 429 HG21 ILE 61 HG21 ILE 61 -12.132 3.052 -5.504 430 HG22 ILE 61 HG22 ILE 61 -12.783 1.473 -5.942 431 HG23 ILE 61 HG23 ILE 61 -11.108 1.872 -6.323 432 HD11 ILE 61 HD11 ILE 61 -8.856 3.666 -4.221 433 HD12 ILE 61 HD12 ILE 61 -10.580 3.882 -4.519 434 HD13 ILE 61 HD13 ILE 61 -9.580 3.044 -5.704 435 HA PRO 62 HA PRO 62 -13.703 -0.649 -0.082 436 HB2 PRO 62 HB2 PRO 62 -13.989 -3.097 -1.415 437 HB3 PRO 62 HB3 PRO 62 -15.302 -1.971 -1.028 438 HG2 PRO 62 HG3 PRO 62 -13.852 -2.385 -3.579 439 HG3 PRO 62 HG2 PRO 62 -15.544 -1.942 -3.294 440 HD2 PRO 62 HD3 PRO 62 -13.706 -0.127 -4.118 441 HD3 PRO 62 HD2 PRO 62 -15.056 0.315 -3.050 442 H GLY 63 H GLY 63 -11.101 -0.669 -2.146 443 HA2 GLY 63 HA3 GLY 63 -8.878 -1.233 -1.322 444 HA3 GLY 63 HA2 GLY 63 -9.607 -2.518 -0.361 445 H LYS 64 H LYS 64 -11.177 -2.648 -3.232 446 HA LYS 64 HA LYS 64 -9.581 -4.953 -4.113 447 HB2 LYS 64 HB3 LYS 64 -12.104 -4.951 -4.093 448 HB3 LYS 64 HB2 LYS 64 -12.055 -3.768 -5.400 449 HG2 LYS 64 HG3 LYS 64 -10.724 -5.366 -6.764 450 HG3 LYS 64 HG2 LYS 64 -10.865 -6.557 -5.470 451 HD2 LYS 64 HD3 LYS 64 -13.359 -6.396 -5.666 452 HD3 LYS 64 HD2 LYS 64 -13.139 -5.343 -7.064 453 HE2 LYS 64 HE3 LYS 64 -11.480 -7.549 -7.561 454 HE3 LYS 64 HE2 LYS 64 -12.968 -8.238 -6.910 455 HZ1 LYS 64 HZ1 LYS 64 -12.592 -7.438 -9.471 456 HZ2 LYS 64 HZ2 LYS 64 -13.421 -6.121 -8.797 457 HZ3 LYS 64 HZ3 LYS 64 -14.101 -7.676 -8.727 458 H CYS 65 H CYS 65 -8.123 -4.883 -5.761 459 HA CYS 65 HA CYS 65 -8.027 -2.397 -7.426 460 HB2 CYS 65 HB3 CYS 65 -5.902 -4.113 -6.208 461 HB3 CYS 65 HB2 CYS 65 -5.557 -3.323 -7.746 462 H HIS 66 H HIS 66 -7.310 -2.726 -9.674 463 HA HIS 66 HA HIS 66 -8.656 -4.935 -10.932 464 HB2 HIS 66 HB3 HIS 66 -8.295 -2.740 -12.040 465 HB3 HIS 66 HB2 HIS 66 -6.563 -3.068 -12.091 466 HD1 HIS 66 HD1 HIS 66 -5.709 -4.722 -13.852 467 HD2 HIS 66 HD2 HIS 66 -9.869 -4.416 -13.792 468 HE1 HIS 66 HE1 HIS 66 -6.549 -5.942 -15.910 469 HE2 HIS 66 HE2 HIS 66 -9.078 -5.761 -15.882 Start of MODEL 2 1 H1 ALA 1 H1 ALA 1 -2.160 11.578 2.775 2 H2 ALA 1 H2 ALA 1 -1.415 10.269 1.988 3 H3 ALA 1 H3 ALA 1 -1.213 10.484 3.660 4 HA ALA 1 HA ALA 1 -3.789 10.298 3.717 5 HB1 ALA 1 HB1 ALA 1 -4.506 10.079 1.547 6 HB2 ALA 1 HB2 ALA 1 -4.153 8.379 1.854 7 HB3 ALA 1 HB3 ALA 1 -2.979 9.383 1.005 8 H ARG 2 H ARG 2 -4.497 7.701 3.717 9 HA ARG 2 HA ARG 2 -2.190 6.255 4.964 10 HB2 ARG 2 HB3 ARG 2 -3.789 7.123 6.674 11 HB3 ARG 2 HB2 ARG 2 -5.076 6.200 5.895 12 HG2 ARG 2 HG3 ARG 2 -3.746 4.115 6.261 13 HG3 ARG 2 HG2 ARG 2 -2.555 5.068 7.144 14 HD2 ARG 2 HD3 ARG 2 -4.379 5.801 8.700 15 HD3 ARG 2 HD2 ARG 2 -5.471 4.691 7.871 16 HE ARG 2 HE ARG 2 -3.189 3.206 8.667 17 HH11 ARG 2 HH22 ARG 2 -5.830 4.987 9.985 18 HH12 ARG 2 HH21 ARG 2 -5.920 4.041 11.433 19 HH21 ARG 2 HH11 ARG 2 -3.289 1.961 10.553 20 HH22 ARG 2 HH12 ARG 2 -4.482 2.328 11.755 21 H ASP 3 H ASP 3 -1.904 4.203 4.197 22 HA ASP 3 HA ASP 3 -3.932 3.175 2.283 23 HB2 ASP 3 HB3 ASP 3 -1.080 2.306 2.801 24 HB3 ASP 3 HB2 ASP 3 -2.134 1.637 1.563 25 H ALA 4 H ALA 4 -4.882 1.141 2.589 26 HA ALA 4 HA ALA 4 -4.493 -0.034 5.299 27 HB1 ALA 4 HB1 ALA 4 -6.779 0.606 4.974 28 HB2 ALA 4 HB2 ALA 4 -6.729 -1.147 4.782 29 HB3 ALA 4 HB3 ALA 4 -6.815 -0.107 3.360 30 H TYR 5 H TYR 5 -5.887 -1.585 2.444 31 HA TYR 5 HA TYR 5 -3.900 -3.775 2.784 32 HB2 TYR 5 HB3 TYR 5 -6.292 -3.866 0.954 33 HB3 TYR 5 HB2 TYR 5 -5.465 -5.201 1.757 34 HD1 TYR 5 HD2 TYR 5 -5.451 -5.080 4.406 35 HD2 TYR 5 HD1 TYR 5 -8.269 -3.052 1.880 36 HE1 TYR 5 HE2 TYR 5 -7.032 -4.910 6.309 37 HE2 TYR 5 HE1 TYR 5 -9.851 -2.880 3.782 38 HH TYR 5 HH TYR 5 -10.247 -4.211 5.967 39 H ILE 6 H ILE 6 -5.025 -1.360 0.502 40 HA ILE 6 HA ILE 6 -3.174 -2.406 -1.577 41 HB ILE 6 HB ILE 6 -5.274 -0.227 -1.746 42 HG12 ILE 6 HG13 ILE 6 -5.347 -3.093 -2.738 43 HG13 ILE 6 HG12 ILE 6 -6.192 -2.508 -1.304 44 HG21 ILE 6 HG21 ILE 6 -4.366 0.237 -3.747 45 HG22 ILE 6 HG22 ILE 6 -4.640 -1.432 -4.246 46 HG23 ILE 6 HG23 ILE 6 -3.120 -0.980 -3.472 47 HD11 ILE 6 HD11 ILE 6 -6.730 -0.789 -3.571 48 HD12 ILE 6 HD12 ILE 6 -7.868 -1.671 -2.552 49 HD13 ILE 6 HD13 ILE 6 -7.139 -2.461 -3.952 50 H ALA 7 H ALA 7 -1.368 -1.232 -2.194 51 HA ALA 7 HA ALA 7 -0.898 1.335 -0.734 52 HB1 ALA 7 HB1 ALA 7 0.954 0.333 0.049 53 HB2 ALA 7 HB2 ALA 7 1.574 0.333 -1.601 54 HB3 ALA 7 HB3 ALA 7 0.694 -1.068 -0.991 55 H LYS 8 H LYS 8 -2.034 0.695 -3.538 56 HA LYS 8 HA LYS 8 -0.155 2.488 -5.009 57 HB2 LYS 8 HB3 LYS 8 -1.828 0.714 -6.663 58 HB3 LYS 8 HB2 LYS 8 -0.121 1.114 -6.825 59 HG2 LYS 8 HG3 LYS 8 -1.264 -0.833 -4.798 60 HG3 LYS 8 HG2 LYS 8 -0.442 -1.281 -6.290 61 HD2 LYS 8 HD3 LYS 8 1.154 0.622 -4.804 62 HD3 LYS 8 HD2 LYS 8 0.756 -0.770 -3.796 63 HE2 LYS 8 HE3 LYS 8 1.811 -1.052 -6.616 64 HE3 LYS 8 HE2 LYS 8 2.870 -0.996 -5.207 65 HZ1 LYS 8 HZ1 LYS 8 1.524 -3.196 -6.212 66 HZ2 LYS 8 HZ2 LYS 8 0.748 -2.804 -4.755 67 HZ3 LYS 8 HZ3 LYS 8 2.420 -3.104 -4.772 68 HA PRO 9 HA PRO 9 -3.547 5.237 -5.591 69 HB2 PRO 9 HB2 PRO 9 -3.213 5.872 -8.296 70 HB3 PRO 9 HB3 PRO 9 -2.399 6.668 -6.937 71 HG2 PRO 9 HG3 PRO 9 -1.395 4.584 -8.785 72 HG3 PRO 9 HG2 PRO 9 -0.529 5.910 -7.992 73 HD2 PRO 9 HD3 PRO 9 -0.311 3.337 -7.154 74 HD3 PRO 9 HD2 PRO 9 -0.203 4.711 -6.034 75 H HIS 10 H HIS 10 -3.177 2.611 -7.914 76 HA HIS 10 HA HIS 10 -6.102 2.266 -7.925 77 HB2 HIS 10 HB3 HIS 10 -4.571 2.568 -10.525 78 HB3 HIS 10 HB2 HIS 10 -6.304 2.296 -10.346 79 HD1 HIS 10 HD1 HIS 10 -7.522 4.273 -8.786 80 HD2 HIS 10 HD2 HIS 10 -3.959 5.253 -10.726 81 HE1 HIS 10 HE1 HIS 10 -7.418 6.805 -8.865 82 HE2 HIS 10 HE2 HIS 10 -5.255 7.410 -10.042 83 H ASN 11 H ASN 11 -2.980 1.065 -7.951 84 HA ASN 11 HA ASN 11 -3.845 -1.603 -8.966 85 HB2 ASN 11 HB3 ASN 11 -1.050 -0.579 -8.379 86 HB3 ASN 11 HB2 ASN 11 -1.460 -2.123 -9.130 87 HD21 ASN 11 HD22 ASN 11 -0.863 1.218 -9.763 88 HD22 ASN 11 HD21 ASN 11 -1.312 1.213 -11.400 89 H CYS 12 H CYS 12 -2.767 -3.463 -7.680 90 HA CYS 12 HA CYS 12 -2.928 -2.854 -4.757 91 HB2 CYS 12 HB3 CYS 12 -3.826 -5.342 -6.241 92 HB3 CYS 12 HB2 CYS 12 -3.834 -5.157 -4.487 93 H VAL 13 H VAL 13 -1.856 -4.843 -3.519 94 HA VAL 13 HA VAL 13 0.868 -5.079 -4.669 95 HB VAL 13 HB VAL 13 -0.167 -5.847 -1.921 96 HG11 VAL 13 HG11 VAL 13 2.474 -5.984 -3.291 97 HG12 VAL 13 HG12 VAL 13 1.808 -7.017 -2.027 98 HG13 VAL 13 HG13 VAL 13 2.476 -5.438 -1.614 99 HG21 VAL 13 HG21 VAL 13 0.007 -3.671 -1.357 100 HG22 VAL 13 HG22 VAL 13 0.271 -3.289 -3.058 101 HG23 VAL 13 HG23 VAL 13 1.647 -3.601 -2.000 102 H TYR 14 H TYR 14 1.665 -6.998 -5.420 103 HA TYR 14 HA TYR 14 -0.078 -9.193 -5.967 104 HB2 TYR 14 HB3 TYR 14 2.781 -9.862 -5.821 105 HB3 TYR 14 HB2 TYR 14 1.678 -9.948 -7.194 106 HD1 TYR 14 HD1 TYR 14 1.172 -7.877 -8.517 107 HD2 TYR 14 HD2 TYR 14 4.181 -7.965 -5.454 108 HE1 TYR 14 HE1 TYR 14 2.144 -5.776 -9.410 109 HE2 TYR 14 HE2 TYR 14 5.153 -5.867 -6.344 110 HH TYR 14 HH TYR 14 4.744 -4.093 -7.725 111 H GLU 15 H GLU 15 2.505 -8.823 -3.528 112 HA GLU 15 HA GLU 15 1.135 -10.150 -1.452 113 HB2 GLU 15 HB3 GLU 15 2.526 -12.315 -1.450 114 HB3 GLU 15 HB2 GLU 15 1.191 -12.230 -2.595 115 HG2 GLU 15 HG3 GLU 15 2.765 -11.573 -4.379 116 HG3 GLU 15 HG2 GLU 15 4.103 -11.665 -3.238 117 H CYS 16 H CYS 16 2.269 -8.250 -0.573 118 HA CYS 16 HA CYS 16 4.992 -7.738 -0.534 119 HB2 CYS 16 HB3 CYS 16 4.071 -6.166 0.819 120 HB3 CYS 16 HB2 CYS 16 2.756 -7.236 1.304 121 H PHE 17 H PHE 17 6.708 -8.368 0.981 122 HA PHE 17 HA PHE 17 6.258 -11.022 2.276 123 HB2 PHE 17 HB3 PHE 17 8.121 -11.982 1.257 124 HB3 PHE 17 HB2 PHE 17 7.505 -10.975 -0.051 125 HD1 PHE 17 HD1 PHE 17 8.403 -8.469 -0.044 126 HD2 PHE 17 HD2 PHE 17 10.362 -11.791 1.846 127 HE1 PHE 17 HE1 PHE 17 10.552 -7.232 -0.088 128 HE2 PHE 17 HE2 PHE 17 12.508 -10.553 1.802 129 HZ PHE 17 HZ PHE 17 12.600 -8.274 0.839 130 H ASP 18 H ASP 18 9.168 -11.068 2.966 131 HA ASP 18 HA ASP 18 9.046 -9.833 5.508 132 HB2 ASP 18 HB3 ASP 18 10.669 -11.626 4.826 133 HB3 ASP 18 HB2 ASP 18 11.565 -10.403 3.925 134 H ALA 19 H ALA 19 9.407 -7.775 6.185 135 HA ALA 19 HA ALA 19 9.728 -5.667 4.213 136 HB1 ALA 19 HB1 ALA 19 10.005 -5.288 7.190 137 HB2 ALA 19 HB2 ALA 19 8.430 -5.593 6.457 138 HB3 ALA 19 HB3 ALA 19 9.359 -4.167 5.993 139 H PHE 20 H PHE 20 11.977 -7.740 5.354 140 HA PHE 20 HA PHE 20 14.123 -6.242 6.347 141 HB2 PHE 20 HB3 PHE 20 14.144 -8.721 5.983 142 HB3 PHE 20 HB2 PHE 20 14.335 -8.428 4.253 143 HD1 PHE 20 HD2 PHE 20 15.928 -8.029 7.576 144 HD2 PHE 20 HD1 PHE 20 16.432 -7.697 3.324 145 HE1 PHE 20 HE2 PHE 20 18.374 -7.768 7.887 146 HE2 PHE 20 HE1 PHE 20 18.879 -7.437 3.635 147 HZ PHE 20 HZ PHE 20 19.850 -7.472 5.916 148 H SER 21 H SER 21 13.094 -6.642 2.962 149 HA SER 21 HA SER 21 15.187 -4.824 2.010 150 HB2 SER 21 HB3 SER 21 14.253 -5.201 -0.183 151 HB3 SER 21 HB2 SER 21 14.282 -6.751 0.651 152 HG SER 21 HG SER 21 12.010 -5.576 1.275 153 H SER 22 H SER 22 12.258 -4.439 3.563 154 HA SER 22 HA SER 22 10.916 -2.554 3.936 155 HB2 SER 22 HB3 SER 22 12.439 -0.589 2.450 156 HB3 SER 22 HB2 SER 22 12.181 -0.709 4.188 157 HG SER 22 HG SER 22 14.122 -1.475 4.344 158 H TYR 23 H TYR 23 10.524 -4.209 1.557 159 HA TYR 23 HA TYR 23 10.082 -2.681 -0.794 160 HB2 TYR 23 HB3 TYR 23 9.984 -5.138 -0.771 161 HB3 TYR 23 HB2 TYR 23 8.528 -5.078 0.224 162 HD1 TYR 23 HD1 TYR 23 6.398 -4.307 -0.694 163 HD2 TYR 23 HD2 TYR 23 9.932 -4.499 -3.129 164 HE1 TYR 23 HE1 TYR 23 5.007 -4.067 -2.734 165 HE2 TYR 23 HE2 TYR 23 8.542 -4.257 -5.169 166 HH TYR 23 HH TYR 23 6.347 -4.479 -5.932 167 H CYS 24 H CYS 24 7.818 -3.454 1.857 168 HA CYS 24 HA CYS 24 5.662 -1.889 0.758 169 HB2 CYS 24 HB3 CYS 24 5.526 -3.720 2.564 170 HB3 CYS 24 HB2 CYS 24 6.055 -2.476 3.696 171 H ASN 25 H ASN 25 7.942 -1.243 3.427 172 HA ASN 25 HA ASN 25 7.133 1.436 3.906 173 HB2 ASN 25 HB3 ASN 25 9.911 0.244 4.180 174 HB3 ASN 25 HB2 ASN 25 9.337 1.719 4.963 175 HD21 ASN 25 HD22 ASN 25 6.868 -0.645 4.713 176 HD22 ASN 25 HD21 ASN 25 6.960 -1.245 6.299 177 H GLY 26 H GLY 26 9.416 0.055 1.588 178 HA2 GLY 26 HA3 GLY 26 10.533 2.488 0.619 179 HA3 GLY 26 HA2 GLY 26 10.402 0.999 -0.323 180 H VAL 27 H VAL 27 7.556 0.749 -0.215 181 HA VAL 27 HA VAL 27 6.800 2.375 -2.437 182 HB VAL 27 HB VAL 27 5.103 0.869 -0.425 183 HG11 VAL 27 HG11 VAL 27 3.406 2.076 -1.331 184 HG12 VAL 27 HG12 VAL 27 3.645 1.057 -2.751 185 HG13 VAL 27 HG13 VAL 27 4.406 2.646 -2.668 186 HG21 VAL 27 HG21 VAL 27 5.278 -0.956 -1.830 187 HG22 VAL 27 HG22 VAL 27 6.839 -0.204 -2.162 188 HG23 VAL 27 HG23 VAL 27 5.489 0.041 -3.269 189 H CYS 28 H CYS 28 6.182 2.680 1.049 190 HA CYS 28 HA CYS 28 4.512 4.994 0.895 191 HB2 CYS 28 HB3 CYS 28 6.370 3.979 3.057 192 HB3 CYS 28 HB2 CYS 28 5.362 5.411 3.267 193 H THR 29 H THR 29 8.014 4.596 0.836 194 HA THR 29 HA THR 29 8.780 7.282 1.309 195 HB THR 29 HB THR 29 10.087 5.361 -0.638 196 HG1 THR 29 HG1 THR 29 10.351 4.223 1.098 197 HG21 THR 29 HG21 THR 29 11.729 6.890 -0.794 198 HG22 THR 29 HG22 THR 29 11.823 7.040 0.960 199 HG23 THR 29 HG23 THR 29 10.672 8.021 0.054 200 H LYS 30 H LYS 30 7.918 5.672 -1.754 201 HA LYS 30 HA LYS 30 8.295 7.992 -3.400 202 HB2 LYS 30 HB3 LYS 30 6.351 5.709 -3.849 203 HB3 LYS 30 HB2 LYS 30 7.011 6.788 -5.077 204 HG2 LYS 30 HG3 LYS 30 8.651 4.896 -3.366 205 HG3 LYS 30 HG2 LYS 30 8.182 4.600 -5.040 206 HD2 LYS 30 HD3 LYS 30 9.315 6.870 -5.552 207 HD3 LYS 30 HD2 LYS 30 10.060 6.700 -3.963 208 HE2 LYS 30 HE3 LYS 30 10.200 4.560 -6.098 209 HE3 LYS 30 HE2 LYS 30 11.444 5.788 -5.871 210 HZ1 LYS 30 HZ1 LYS 30 10.656 3.596 -4.071 211 HZ2 LYS 30 HZ2 LYS 30 11.379 4.992 -3.435 212 HZ3 LYS 30 HZ3 LYS 30 12.207 4.056 -4.586 213 H ASN 31 H ASN 31 5.462 6.669 -1.726 214 HA ASN 31 HA ASN 31 3.594 8.641 -2.635 215 HB2 ASN 31 HB3 ASN 31 3.637 7.005 -0.079 216 HB3 ASN 31 HB2 ASN 31 2.252 7.938 -0.651 217 HD21 ASN 31 HD22 ASN 31 2.108 5.086 -0.339 218 HD22 ASN 31 HD21 ASN 31 1.943 4.391 -1.879 219 H GLY 32 H GLY 32 6.009 8.617 -0.105 220 HA2 GLY 32 HA3 GLY 32 6.936 10.706 0.742 221 HA3 GLY 32 HA2 GLY 32 5.377 11.477 0.438 222 H ALA 33 H ALA 33 4.637 8.534 1.668 223 HA ALA 33 HA ALA 33 3.776 9.587 4.201 224 HB1 ALA 33 HB1 ALA 33 3.711 6.892 4.588 225 HB2 ALA 33 HB2 ALA 33 3.735 6.963 2.826 226 HB3 ALA 33 HB3 ALA 33 2.456 7.782 3.724 227 H LYS 34 H LYS 34 4.650 9.176 6.303 228 HA LYS 34 HA LYS 34 7.509 9.124 6.440 229 HB2 LYS 34 HB3 LYS 34 6.946 8.584 8.967 230 HB3 LYS 34 HB2 LYS 34 6.596 10.175 8.293 231 HG2 LYS 34 HG3 LYS 34 4.343 9.866 8.404 232 HG3 LYS 34 HG2 LYS 34 4.452 8.172 7.931 233 HD2 LYS 34 HD3 LYS 34 5.240 7.581 10.190 234 HD3 LYS 34 HD2 LYS 34 5.136 9.276 10.669 235 HE2 LYS 34 HE3 LYS 34 2.751 9.296 10.398 236 HE3 LYS 34 HE2 LYS 34 2.769 7.722 9.605 237 HZ1 LYS 34 HZ1 LYS 34 2.104 7.428 11.860 238 HZ2 LYS 34 HZ2 LYS 34 3.439 8.301 12.435 239 HZ3 LYS 34 HZ3 LYS 34 3.670 6.790 11.694 240 H SER 35 H SER 35 5.202 6.628 7.670 241 HA SER 35 HA SER 35 7.161 4.581 6.792 242 HB2 SER 35 HB3 SER 35 7.216 3.500 8.955 243 HB3 SER 35 HB2 SER 35 7.663 5.189 9.176 244 HG SER 35 HG SER 35 5.213 5.376 9.491 245 H GLY 36 H GLY 36 6.237 2.387 6.826 246 HA2 GLY 36 HA3 GLY 36 3.284 2.245 7.026 247 HA3 GLY 36 HA2 GLY 36 4.023 1.811 5.484 248 H TYR 37 H TYR 37 2.531 -0.005 7.197 249 HA TYR 37 HA TYR 37 4.723 -1.927 7.890 250 HB2 TYR 37 HB3 TYR 37 1.990 -1.851 9.189 251 HB3 TYR 37 HB2 TYR 37 3.399 -2.779 9.699 252 HD1 TYR 37 HD1 TYR 37 5.615 -0.998 9.758 253 HD2 TYR 37 HD2 TYR 37 1.505 -0.155 10.683 254 HE1 TYR 37 HE1 TYR 37 6.326 0.897 11.189 255 HE2 TYR 37 HE2 TYR 37 2.216 1.742 12.114 256 HH TYR 37 HH TYR 37 4.323 3.299 12.187 257 H CYS 38 H CYS 38 4.387 -4.088 7.230 258 HA CYS 38 HA CYS 38 2.223 -4.431 5.215 259 HB2 CYS 38 HB3 CYS 38 4.469 -4.934 4.408 260 HB3 CYS 38 HB2 CYS 38 4.741 -6.034 5.759 261 H GLN 39 H GLN 39 0.449 -5.541 5.846 262 HA GLN 39 HA GLN 39 0.728 -7.491 8.102 263 HB2 GLN 39 HB3 GLN 39 -1.663 -5.790 7.331 264 HB3 GLN 39 HB2 GLN 39 -1.631 -6.969 8.644 265 HG2 GLN 39 HG3 GLN 39 0.252 -5.702 9.682 266 HG3 GLN 39 HG2 GLN 39 0.090 -4.484 8.416 267 HE21 GLN 39 HE22 GLN 39 -3.006 -5.547 8.894 268 HE22 GLN 39 HE21 GLN 39 -3.513 -4.437 10.073 269 H ILE 40 H ILE 40 -0.952 -9.277 7.996 270 HA ILE 40 HA ILE 40 -1.239 -10.131 5.158 271 HB ILE 40 HB ILE 40 -1.507 -12.400 6.058 272 HG12 ILE 40 HG13 ILE 40 -1.046 -11.082 8.755 273 HG13 ILE 40 HG12 ILE 40 -2.587 -11.734 8.201 274 HG21 ILE 40 HG21 ILE 40 0.874 -11.578 7.575 275 HG22 ILE 40 HG22 ILE 40 0.809 -10.901 5.948 276 HG23 ILE 40 HG23 ILE 40 0.745 -12.648 6.179 277 HD11 ILE 40 HD11 ILE 40 -0.400 -13.134 9.421 278 HD12 ILE 40 HD12 ILE 40 -0.625 -13.751 7.784 279 HD13 ILE 40 HD13 ILE 40 -1.969 -13.769 8.927 280 H LEU 41 H LEU 41 -3.211 -10.759 4.342 281 HA LEU 41 HA LEU 41 -5.571 -10.006 5.983 282 HB2 LEU 41 HB3 LEU 41 -5.003 -10.042 3.030 283 HB3 LEU 41 HB2 LEU 41 -6.656 -10.053 3.625 284 HG LEU 41 HG LEU 41 -5.792 -7.753 3.147 285 HD11 LEU 41 HD11 LEU 41 -6.092 -7.583 6.047 286 HD12 LEU 41 HD12 LEU 41 -7.284 -8.656 5.313 287 HD13 LEU 41 HD13 LEU 41 -7.154 -6.983 4.775 288 HD21 LEU 41 HD21 LEU 41 -3.989 -6.829 4.304 289 HD22 LEU 41 HD22 LEU 41 -3.438 -8.484 4.055 290 HD23 LEU 41 HD23 LEU 41 -4.101 -7.999 5.615 291 H GLY 42 H GLY 42 -7.201 -11.526 6.311 292 HA2 GLY 42 HA3 GLY 42 -6.602 -14.286 6.191 293 HA3 GLY 42 HA2 GLY 42 -8.235 -13.633 6.340 294 H THR 43 H THR 43 -7.957 -12.143 3.762 295 HA THR 43 HA THR 43 -8.615 -14.434 2.012 296 HB THR 43 HB THR 43 -9.651 -12.790 0.554 297 HG1 THR 43 HG1 THR 43 -9.484 -10.591 1.074 298 HG21 THR 43 HG21 THR 43 -10.383 -13.265 3.236 299 HG22 THR 43 HG22 THR 43 -11.432 -12.725 1.925 300 HG23 THR 43 HG23 THR 43 -10.639 -11.541 2.964 301 H TYR 44 H TYR 44 -7.053 -11.316 1.247 302 HA TYR 44 HA TYR 44 -5.560 -12.380 -0.936 303 HB2 TYR 44 HB3 TYR 44 -4.939 -9.943 0.759 304 HB3 TYR 44 HB2 TYR 44 -4.272 -10.284 -0.836 305 HD1 TYR 44 HD2 TYR 44 -5.839 -10.462 -2.819 306 HD2 TYR 44 HD1 TYR 44 -7.101 -8.983 1.011 307 HE1 TYR 44 HE2 TYR 44 -7.834 -9.433 -3.874 308 HE2 TYR 44 HE1 TYR 44 -9.095 -7.953 -0.043 309 HH TYR 44 HH TYR 44 -10.297 -7.774 -1.913 310 H GLY 45 H GLY 45 -4.679 -11.939 2.484 311 HA2 GLY 45 HA3 GLY 45 -3.134 -13.442 3.593 312 HA3 GLY 45 HA2 GLY 45 -2.433 -13.829 2.024 313 H ASN 46 H ASN 46 -2.169 -11.043 1.159 314 HA ASN 46 HA ASN 46 -0.219 -9.995 3.145 315 HB2 ASN 46 HB3 ASN 46 0.354 -11.072 0.492 316 HB3 ASN 46 HB2 ASN 46 0.950 -9.425 0.701 317 HD21 ASN 46 HD22 ASN 46 1.603 -9.447 3.459 318 HD22 ASN 46 HD21 ASN 46 2.856 -10.563 3.724 319 H GLY 47 H GLY 47 -0.448 -7.846 3.460 320 HA2 GLY 47 HA3 GLY 47 -1.592 -6.183 1.274 321 HA3 GLY 47 HA2 GLY 47 -2.360 -6.133 2.863 322 H CYS 48 H CYS 48 -1.147 -3.844 1.656 323 HA CYS 48 HA CYS 48 1.292 -3.490 3.343 324 HB2 CYS 48 HB3 CYS 48 0.615 -2.674 0.627 325 HB3 CYS 48 HB2 CYS 48 1.159 -1.317 1.613 326 H TRP 49 H TRP 49 1.265 -1.947 4.923 327 HA TRP 49 HA TRP 49 -1.201 -0.278 5.149 328 HB2 TRP 49 HB3 TRP 49 -0.305 -2.111 6.940 329 HB3 TRP 49 HB2 TRP 49 0.561 -0.684 7.507 330 HD1 TRP 49 HD1 TRP 49 -0.790 1.152 8.732 331 HE1 TRP 49 HE1 TRP 49 -3.251 1.387 9.453 332 HE3 TRP 49 HE3 TRP 49 -2.826 -2.769 6.179 333 HZ2 TRP 49 HZ2 TRP 49 -5.758 0.078 9.004 334 HZ3 TRP 49 HZ3 TRP 49 -5.249 -3.256 6.343 335 HH2 TRP 49 HH2 TRP 49 -6.716 -1.840 7.753 336 H CYS 50 H CYS 50 -0.705 1.789 4.470 337 HA CYS 50 HA CYS 50 2.018 2.838 5.142 338 HB2 CYS 50 HB3 CYS 50 1.110 2.791 2.695 339 HB3 CYS 50 HB2 CYS 50 0.138 4.173 3.208 340 H ILE 51 H ILE 51 2.096 4.261 6.785 341 HA ILE 51 HA ILE 51 -0.402 5.739 7.483 342 HB ILE 51 HB ILE 51 1.852 4.880 9.313 343 HG12 ILE 51 HG13 ILE 51 -0.977 3.809 9.164 344 HG13 ILE 51 HG12 ILE 51 0.374 3.056 8.315 345 HG21 ILE 51 HG21 ILE 51 -0.879 6.065 9.905 346 HG22 ILE 51 HG22 ILE 51 0.648 6.941 10.011 347 HG23 ILE 51 HG23 ILE 51 0.326 5.593 11.101 348 HD11 ILE 51 HD11 ILE 51 1.149 3.558 11.036 349 HD12 ILE 51 HD12 ILE 51 1.015 2.014 10.194 350 HD13 ILE 51 HD13 ILE 51 -0.386 2.691 11.025 351 H ALA 52 H ALA 52 -0.277 7.931 7.627 352 HA ALA 52 HA ALA 52 2.114 9.404 8.203 353 HB1 ALA 52 HB1 ALA 52 1.259 9.492 5.298 354 HB2 ALA 52 HB2 ALA 52 2.640 8.563 5.880 355 HB3 ALA 52 HB3 ALA 52 2.632 10.320 6.032 356 H LEU 53 H LEU 53 -1.093 9.294 6.763 357 HA LEU 53 HA LEU 53 -1.585 12.042 7.838 358 HB2 LEU 53 HB3 LEU 53 -2.120 10.883 5.182 359 HB3 LEU 53 HB2 LEU 53 -3.499 11.720 5.895 360 HG LEU 53 HG LEU 53 -2.046 13.696 6.316 361 HD11 LEU 53 HD11 LEU 53 0.115 13.381 4.656 362 HD12 LEU 53 HD12 LEU 53 -0.017 11.774 5.371 363 HD13 LEU 53 HD13 LEU 53 0.169 13.188 6.408 364 HD21 LEU 53 HD21 LEU 53 -1.552 13.280 3.446 365 HD22 LEU 53 HD22 LEU 53 -2.550 14.493 4.249 366 HD23 LEU 53 HD23 LEU 53 -3.198 12.882 3.940 367 HA PRO 54 HA PRO 54 -4.892 10.671 10.383 368 HB2 PRO 54 HB2 PRO 54 -6.801 12.166 8.633 369 HB3 PRO 54 HB3 PRO 54 -6.601 12.222 10.391 370 HG2 PRO 54 HG3 PRO 54 -5.663 14.136 8.740 371 HG3 PRO 54 HG2 PRO 54 -4.906 13.727 10.286 372 HD2 PRO 54 HD3 PRO 54 -3.916 13.236 7.556 373 HD3 PRO 54 HD2 PRO 54 -3.031 13.221 9.095 374 H ASP 55 H ASP 55 -6.802 10.951 7.393 375 HA ASP 55 HA ASP 55 -6.685 8.198 6.634 376 HB2 ASP 55 HB3 ASP 55 -8.869 7.423 7.457 377 HB3 ASP 55 HB2 ASP 55 -7.835 7.860 8.815 378 H ASN 56 H ASN 56 -6.732 10.750 5.332 379 HA ASN 56 HA ASN 56 -9.403 10.796 4.024 380 HB2 ASN 56 HB3 ASN 56 -7.107 12.774 3.944 381 HB3 ASN 56 HB2 ASN 56 -8.632 12.971 3.079 382 HD21 ASN 56 HD22 ASN 56 -7.776 14.826 5.116 383 HD22 ASN 56 HD21 ASN 56 -8.855 14.704 6.421 384 H VAL 57 H VAL 57 -9.628 10.134 1.919 385 HA VAL 57 HA VAL 57 -9.019 9.020 -0.065 386 HB VAL 57 HB VAL 57 -6.624 10.854 -0.092 387 HG11 VAL 57 HG11 VAL 57 -8.399 10.613 -2.425 388 HG12 VAL 57 HG12 VAL 57 -7.675 9.084 -1.928 389 HG13 VAL 57 HG13 VAL 57 -6.645 10.459 -2.327 390 HG21 VAL 57 HG21 VAL 57 -9.478 11.564 0.098 391 HG22 VAL 57 HG22 VAL 57 -8.649 12.297 -1.276 392 HG23 VAL 57 HG23 VAL 57 -8.052 12.567 0.362 393 HA PRO 58 HA PRO 58 -5.622 6.643 2.020 394 HB2 PRO 58 HB2 PRO 58 -7.021 4.392 2.597 395 HB3 PRO 58 HB3 PRO 58 -7.030 5.815 3.656 396 HG2 PRO 58 HG3 PRO 58 -9.101 4.844 1.777 397 HG3 PRO 58 HG2 PRO 58 -9.278 5.699 3.316 398 HD2 PRO 58 HD3 PRO 58 -9.469 6.863 0.763 399 HD3 PRO 58 HD2 PRO 58 -9.270 7.743 2.294 400 H ILE 59 H ILE 59 -8.066 4.629 0.344 401 HA ILE 59 HA ILE 59 -6.016 4.014 -1.721 402 HB ILE 59 HB ILE 59 -6.620 1.647 -1.636 403 HG12 ILE 59 HG13 ILE 59 -8.421 2.432 0.682 404 HG13 ILE 59 HG12 ILE 59 -8.990 1.976 -0.924 405 HG21 ILE 59 HG21 ILE 59 -5.376 1.133 0.256 406 HG22 ILE 59 HG22 ILE 59 -6.184 2.349 1.245 407 HG23 ILE 59 HG23 ILE 59 -4.973 2.838 0.060 408 HD11 ILE 59 HD11 ILE 59 -7.302 0.202 0.865 409 HD12 ILE 59 HD12 ILE 59 -8.003 -0.241 -0.692 410 HD13 ILE 59 HD13 ILE 59 -9.052 0.074 0.691 411 H ARG 60 H ARG 60 -6.969 3.239 -3.740 412 HA ARG 60 HA ARG 60 -9.798 4.130 -4.063 413 HB2 ARG 60 HB3 ARG 60 -8.082 5.549 -5.240 414 HB3 ARG 60 HB2 ARG 60 -7.611 4.125 -6.164 415 HG2 ARG 60 HG3 ARG 60 -9.148 5.150 -7.600 416 HG3 ARG 60 HG2 ARG 60 -10.158 3.980 -6.754 417 HD2 ARG 60 HD3 ARG 60 -10.875 5.745 -5.173 418 HD3 ARG 60 HD2 ARG 60 -9.869 6.912 -6.030 419 HE ARG 60 HE ARG 60 -11.521 5.851 -7.997 420 HH11 ARG 60 HH22 ARG 60 -11.897 7.354 -4.917 421 HH12 ARG 60 HH21 ARG 60 -13.421 8.077 -5.307 422 HH21 ARG 60 HH11 ARG 60 -13.511 6.785 -8.524 423 HH22 ARG 60 HH12 ARG 60 -14.336 7.754 -7.349 424 H ILE 61 H ILE 61 -11.136 2.479 -4.531 425 HA ILE 61 HA ILE 61 -9.968 0.039 -5.821 426 HB ILE 61 HB ILE 61 -12.392 0.201 -4.014 427 HG12 ILE 61 HG13 ILE 61 -10.249 -1.306 -2.889 428 HG13 ILE 61 HG12 ILE 61 -9.590 0.250 -3.395 429 HG21 ILE 61 HG21 ILE 61 -10.792 -2.148 -5.078 430 HG22 ILE 61 HG22 ILE 61 -12.397 -1.669 -5.633 431 HG23 ILE 61 HG23 ILE 61 -12.172 -2.254 -3.984 432 HD11 ILE 61 HD11 ILE 61 -10.525 0.246 -1.052 433 HD12 ILE 61 HD12 ILE 61 -12.118 -0.044 -1.751 434 HD13 ILE 61 HD13 ILE 61 -11.253 1.450 -2.116 435 HA PRO 62 HA PRO 62 -13.164 1.668 -8.723 436 HB2 PRO 62 HB2 PRO 62 -11.654 1.549 -10.977 437 HB3 PRO 62 HB3 PRO 62 -11.593 2.923 -9.859 438 HG2 PRO 62 HG3 PRO 62 -9.672 0.704 -10.230 439 HG3 PRO 62 HG2 PRO 62 -9.383 2.389 -9.774 440 HD2 PRO 62 HD3 PRO 62 -9.439 0.212 -8.008 441 HD3 PRO 62 HD2 PRO 62 -9.559 1.921 -7.544 442 H GLY 63 H GLY 63 -11.534 -1.235 -8.261 443 HA2 GLY 63 HA3 GLY 63 -12.614 -3.368 -8.677 444 HA3 GLY 63 HA2 GLY 63 -13.435 -2.640 -10.058 445 H LYS 64 H LYS 64 -10.436 -1.449 -10.346 446 HA LYS 64 HA LYS 64 -9.724 -3.062 -12.580 447 HB2 LYS 64 HB3 LYS 64 -8.859 -0.751 -12.143 448 HB3 LYS 64 HB2 LYS 64 -7.850 -1.416 -10.857 449 HG2 LYS 64 HG3 LYS 64 -6.688 -2.850 -12.451 450 HG3 LYS 64 HG2 LYS 64 -7.759 -2.323 -13.749 451 HD2 LYS 64 HD3 LYS 64 -5.678 -1.079 -13.915 452 HD3 LYS 64 HD2 LYS 64 -6.952 0.023 -13.392 453 HE2 LYS 64 HE3 LYS 64 -6.108 0.203 -11.247 454 HE3 LYS 64 HE2 LYS 64 -5.372 -1.399 -11.286 455 HZ1 LYS 64 HZ1 LYS 64 -4.414 1.060 -12.638 456 HZ2 LYS 64 HZ2 LYS 64 -3.787 -0.484 -12.959 457 HZ3 LYS 64 HZ3 LYS 64 -3.637 0.187 -11.406 458 H CYS 65 H CYS 65 -8.852 -3.287 -9.161 459 HA CYS 65 HA CYS 65 -6.868 -5.369 -9.561 460 HB2 CYS 65 HB3 CYS 65 -8.322 -4.247 -7.176 461 HB3 CYS 65 HB2 CYS 65 -7.371 -5.724 -7.017 462 H HIS 66 H HIS 66 -7.140 -7.629 -9.004 463 HA HIS 66 HA HIS 66 -9.968 -8.571 -8.888 464 HB2 HIS 66 HB3 HIS 66 -7.814 -9.613 -10.753 465 HB3 HIS 66 HB2 HIS 66 -9.395 -10.358 -10.525 466 HD1 HIS 66 HD1 HIS 66 -7.710 -7.393 -12.078 467 HD2 HIS 66 HD2 HIS 66 -11.580 -8.894 -11.658 468 HE1 HIS 66 HE1 HIS 66 -9.175 -6.053 -13.654 469 HE2 HIS 66 HE2 HIS 66 -11.531 -6.960 -13.407 Start of MODEL 3 1 H1 ALA 1 H1 ALA 1 -4.116 11.527 3.352 2 H2 ALA 1 H2 ALA 1 -3.133 10.658 4.432 3 H3 ALA 1 H3 ALA 1 -4.612 11.308 4.958 4 HA ALA 1 HA ALA 1 -5.818 9.623 4.146 5 HB1 ALA 1 HB1 ALA 1 -3.876 9.802 1.847 6 HB2 ALA 1 HB2 ALA 1 -5.613 10.104 1.846 7 HB3 ALA 1 HB3 ALA 1 -5.005 8.454 1.973 8 H ARG 2 H ARG 2 -5.703 7.298 4.389 9 HA ARG 2 HA ARG 2 -3.011 6.288 5.223 10 HB2 ARG 2 HB3 ARG 2 -4.432 6.755 7.205 11 HB3 ARG 2 HB2 ARG 2 -5.671 5.682 6.553 12 HG2 ARG 2 HG3 ARG 2 -4.010 3.815 6.568 13 HG3 ARG 2 HG2 ARG 2 -2.847 4.899 7.330 14 HD2 ARG 2 HD3 ARG 2 -5.567 4.224 8.485 15 HD3 ARG 2 HD2 ARG 2 -4.059 3.454 8.974 16 HE ARG 2 HE ARG 2 -3.736 6.273 9.214 17 HH11 ARG 2 HH22 ARG 2 -5.496 3.619 10.532 18 HH12 ARG 2 HH21 ARG 2 -5.623 4.313 12.113 19 HH21 ARG 2 HH11 ARG 2 -3.888 7.195 11.278 20 HH22 ARG 2 HH12 ARG 2 -4.713 6.337 12.534 21 H ASP 3 H ASP 3 -2.480 4.307 4.378 22 HA ASP 3 HA ASP 3 -4.471 3.027 2.592 23 HB2 ASP 3 HB3 ASP 3 -1.488 2.587 2.924 24 HB3 ASP 3 HB2 ASP 3 -2.507 1.728 1.770 25 H ALA 4 H ALA 4 -5.094 0.840 2.893 26 HA ALA 4 HA ALA 4 -4.502 -0.224 5.608 27 HB1 ALA 4 HB1 ALA 4 -6.778 -0.277 5.591 28 HB2 ALA 4 HB2 ALA 4 -6.542 -1.772 4.684 29 HB3 ALA 4 HB3 ALA 4 -6.860 -0.263 3.830 30 H TYR 5 H TYR 5 -5.638 -2.028 2.792 31 HA TYR 5 HA TYR 5 -3.356 -3.897 3.192 32 HB2 TYR 5 HB3 TYR 5 -5.939 -4.242 1.636 33 HB3 TYR 5 HB2 TYR 5 -4.719 -5.490 1.885 34 HD1 TYR 5 HD2 TYR 5 -4.239 -6.324 4.203 35 HD2 TYR 5 HD1 TYR 5 -7.514 -3.678 3.349 36 HE1 TYR 5 HE2 TYR 5 -5.278 -6.905 6.380 37 HE2 TYR 5 HE1 TYR 5 -8.552 -4.259 5.525 38 HH TYR 5 HH TYR 5 -6.859 -6.207 7.905 39 H ILE 6 H ILE 6 -3.664 -1.225 1.525 40 HA ILE 6 HA ILE 6 -2.457 -2.350 -0.964 41 HB ILE 6 HB ILE 6 -3.400 -0.475 -2.193 42 HG12 ILE 6 HG13 ILE 6 -4.551 0.395 0.481 43 HG13 ILE 6 HG12 ILE 6 -3.250 1.216 -0.384 44 HG21 ILE 6 HG21 ILE 6 -4.816 -2.492 -1.796 45 HG22 ILE 6 HG22 ILE 6 -5.770 -1.021 -1.993 46 HG23 ILE 6 HG23 ILE 6 -5.507 -1.692 -0.383 47 HD11 ILE 6 HD11 ILE 6 -4.909 2.440 -1.326 48 HD12 ILE 6 HD12 ILE 6 -6.149 1.269 -0.880 49 HD13 ILE 6 HD13 ILE 6 -5.179 1.015 -2.330 50 H ALA 7 H ALA 7 -0.849 -0.899 -1.989 51 HA ALA 7 HA ALA 7 0.471 0.930 -0.035 52 HB1 ALA 7 HB1 ALA 7 1.494 -1.514 -1.131 53 HB2 ALA 7 HB2 ALA 7 2.300 -0.386 -0.042 54 HB3 ALA 7 HB3 ALA 7 2.431 -0.173 -1.786 55 H LYS 8 H LYS 8 -1.017 0.617 -2.973 56 HA LYS 8 HA LYS 8 0.586 2.805 -4.204 57 HB2 LYS 8 HB3 LYS 8 -1.435 1.442 -5.867 58 HB3 LYS 8 HB2 LYS 8 0.236 1.849 -6.247 59 HG2 LYS 8 HG3 LYS 8 -0.639 -0.470 -4.492 60 HG3 LYS 8 HG2 LYS 8 -0.082 -0.601 -6.156 61 HD2 LYS 8 HD3 LYS 8 1.816 0.932 -4.612 62 HD3 LYS 8 HD2 LYS 8 1.511 -0.619 -3.831 63 HE2 LYS 8 HE3 LYS 8 1.989 -1.798 -5.922 64 HE3 LYS 8 HE2 LYS 8 2.221 -0.261 -6.755 65 HZ1 LYS 8 HZ1 LYS 8 4.233 -1.589 -5.755 66 HZ2 LYS 8 HZ2 LYS 8 3.790 -0.770 -4.338 67 HZ3 LYS 8 HZ3 LYS 8 4.202 0.109 -5.734 68 HA PRO 9 HA PRO 9 -2.683 5.688 -3.592 69 HB2 PRO 9 HB2 PRO 9 -2.750 6.923 -6.094 70 HB3 PRO 9 HB3 PRO 9 -1.661 7.347 -4.763 71 HG2 PRO 9 HG3 PRO 9 -1.149 5.709 -7.178 72 HG3 PRO 9 HG2 PRO 9 -0.065 6.794 -6.292 73 HD2 PRO 9 HD3 PRO 9 0.107 4.094 -6.084 74 HD3 PRO 9 HD2 PRO 9 0.506 5.174 -4.732 75 H HIS 10 H HIS 10 -2.918 3.579 -6.404 76 HA HIS 10 HA HIS 10 -5.857 3.582 -6.030 77 HB2 HIS 10 HB3 HIS 10 -5.173 5.249 -7.856 78 HB3 HIS 10 HB2 HIS 10 -4.667 3.843 -8.794 79 HD1 HIS 10 HD1 HIS 10 -7.766 4.770 -6.756 80 HD2 HIS 10 HD2 HIS 10 -6.746 2.970 -10.379 81 HE1 HIS 10 HE1 HIS 10 -9.948 4.152 -7.891 82 HE2 HIS 10 HE2 HIS 10 -9.338 3.057 -10.096 83 H ASN 11 H ASN 11 -2.933 2.012 -6.827 84 HA ASN 11 HA ASN 11 -4.383 -0.417 -7.766 85 HB2 ASN 11 HB3 ASN 11 -1.415 0.214 -7.787 86 HB3 ASN 11 HB2 ASN 11 -2.173 -1.212 -8.495 87 HD21 ASN 11 HD22 ASN 11 -1.731 2.280 -8.870 88 HD22 ASN 11 HD21 ASN 11 -2.362 2.370 -10.444 89 H CYS 12 H CYS 12 -3.729 -2.497 -6.771 90 HA CYS 12 HA CYS 12 -2.914 -2.128 -3.912 91 HB2 CYS 12 HB3 CYS 12 -4.656 -4.313 -5.090 92 HB3 CYS 12 HB2 CYS 12 -4.300 -4.061 -3.380 93 H VAL 13 H VAL 13 -1.992 -4.280 -2.997 94 HA VAL 13 HA VAL 13 0.073 -5.219 -4.921 95 HB VAL 13 HB VAL 13 -0.072 -5.573 -1.911 96 HG11 VAL 13 HG11 VAL 13 2.569 -5.716 -2.785 97 HG12 VAL 13 HG12 VAL 13 1.673 -6.604 -4.017 98 HG13 VAL 13 HG13 VAL 13 1.558 -7.084 -2.323 99 HG21 VAL 13 HG21 VAL 13 1.687 -3.672 -3.480 100 HG22 VAL 13 HG22 VAL 13 1.433 -3.720 -1.735 101 HG23 VAL 13 HG23 VAL 13 0.134 -3.183 -2.801 102 H TYR 14 H TYR 14 0.114 -7.324 -5.599 103 HA TYR 14 HA TYR 14 -2.180 -9.008 -5.158 104 HB2 TYR 14 HB3 TYR 14 -1.077 -10.598 -6.572 105 HB3 TYR 14 HB2 TYR 14 -0.665 -9.004 -7.205 106 HD1 TYR 14 HD2 TYR 14 1.565 -7.991 -6.687 107 HD2 TYR 14 HD1 TYR 14 0.596 -12.043 -5.642 108 HE1 TYR 14 HE2 TYR 14 3.975 -8.489 -6.386 109 HE2 TYR 14 HE1 TYR 14 3.007 -12.541 -5.342 110 HH TYR 14 HH TYR 14 5.122 -11.758 -5.858 111 H GLU 15 H GLU 15 1.074 -8.905 -3.795 112 HA GLU 15 HA GLU 15 0.266 -10.224 -1.380 113 HB2 GLU 15 HB3 GLU 15 0.263 -12.188 -2.962 114 HB3 GLU 15 HB2 GLU 15 1.986 -11.911 -3.221 115 HG2 GLU 15 HG3 GLU 15 2.362 -12.153 -0.770 116 HG3 GLU 15 HG2 GLU 15 0.652 -12.537 -0.573 117 H CYS 16 H CYS 16 1.454 -8.543 -0.409 118 HA CYS 16 HA CYS 16 4.097 -7.780 -1.187 119 HB2 CYS 16 HB3 CYS 16 3.457 -6.157 0.253 120 HB3 CYS 16 HB2 CYS 16 2.256 -7.203 1.009 121 H PHE 17 H PHE 17 5.799 -9.165 -1.172 122 HA PHE 17 HA PHE 17 5.858 -11.499 0.570 123 HB2 PHE 17 HB3 PHE 17 7.705 -12.167 -0.663 124 HB3 PHE 17 HB2 PHE 17 6.946 -11.078 -1.821 125 HD1 PHE 17 HD2 PHE 17 7.682 -8.580 -1.751 126 HD2 PHE 17 HD1 PHE 17 9.912 -11.787 0.041 127 HE1 PHE 17 HE2 PHE 17 9.716 -7.166 -1.748 128 HE2 PHE 17 HE1 PHE 17 11.945 -10.369 0.046 129 HZ PHE 17 HZ PHE 17 11.847 -8.058 -0.846 130 H ASP 18 H ASP 18 8.681 -11.418 1.249 131 HA ASP 18 HA ASP 18 8.528 -10.109 3.779 132 HB2 ASP 18 HB3 ASP 18 10.940 -11.015 2.180 133 HB3 ASP 18 HB2 ASP 18 11.005 -10.492 3.863 134 H ALA 19 H ALA 19 8.885 -8.011 4.333 135 HA ALA 19 HA ALA 19 9.993 -6.197 2.229 136 HB1 ALA 19 HB1 ALA 19 8.730 -4.405 3.317 137 HB2 ALA 19 HB2 ALA 19 8.207 -5.513 4.584 138 HB3 ALA 19 HB3 ALA 19 7.644 -5.739 2.928 139 H PHE 20 H PHE 20 11.474 -7.823 4.287 140 HA PHE 20 HA PHE 20 12.376 -6.248 6.446 141 HB2 PHE 20 HB3 PHE 20 12.964 -8.651 6.068 142 HB3 PHE 20 HB2 PHE 20 14.059 -8.145 4.783 143 HD1 PHE 20 HD2 PHE 20 13.398 -7.985 8.426 144 HD2 PHE 20 HD1 PHE 20 16.176 -7.103 5.270 145 HE1 PHE 20 HE2 PHE 20 15.162 -7.527 10.106 146 HE2 PHE 20 HE1 PHE 20 17.941 -6.644 6.951 147 HZ PHE 20 HZ PHE 20 17.434 -6.856 9.370 148 H SER 21 H SER 21 13.639 -6.390 3.100 149 HA SER 21 HA SER 21 15.735 -4.493 3.508 150 HB2 SER 21 HB3 SER 21 14.166 -4.981 0.962 151 HB3 SER 21 HB2 SER 21 15.773 -4.270 1.081 152 HG SER 21 HG SER 21 16.605 -6.193 1.457 153 H SER 22 H SER 22 12.435 -4.054 2.235 154 HA SER 22 HA SER 22 11.500 -1.866 3.485 155 HB2 SER 22 HB3 SER 22 13.768 -1.005 1.715 156 HB3 SER 22 HB2 SER 22 12.373 0.054 1.875 157 HG SER 22 HG SER 22 12.891 0.444 3.890 158 H TYR 23 H TYR 23 10.791 -3.988 1.568 159 HA TYR 23 HA TYR 23 10.006 -2.959 -0.957 160 HB2 TYR 23 HB3 TYR 23 9.933 -5.368 -0.358 161 HB3 TYR 23 HB2 TYR 23 8.556 -5.041 0.697 162 HD1 TYR 23 HD2 TYR 23 9.723 -5.139 -2.809 163 HD2 TYR 23 HD1 TYR 23 6.365 -4.532 -0.200 164 HE1 TYR 23 HE2 TYR 23 8.188 -5.285 -4.751 165 HE2 TYR 23 HE1 TYR 23 4.831 -4.675 -2.141 166 HH TYR 23 HH TYR 23 6.073 -4.938 -5.451 167 H CYS 24 H CYS 24 7.685 -3.616 1.672 168 HA CYS 24 HA CYS 24 5.698 -1.851 0.629 169 HB2 CYS 24 HB3 CYS 24 5.428 -3.716 2.380 170 HB3 CYS 24 HB2 CYS 24 5.999 -2.533 3.557 171 H ASN 25 H ASN 25 8.036 -1.408 3.283 172 HA ASN 25 HA ASN 25 7.362 1.279 3.899 173 HB2 ASN 25 HB3 ASN 25 10.081 -0.071 4.013 174 HB3 ASN 25 HB2 ASN 25 9.658 1.437 4.825 175 HD21 ASN 25 HD22 ASN 25 6.932 -0.551 4.812 176 HD22 ASN 25 HD21 ASN 25 7.111 -1.242 6.352 177 H GLY 26 H GLY 26 9.484 -0.104 1.436 178 HA2 GLY 26 HA3 GLY 26 10.692 2.292 0.513 179 HA3 GLY 26 HA2 GLY 26 10.416 0.865 -0.487 180 H VAL 27 H VAL 27 7.574 0.785 -0.342 181 HA VAL 27 HA VAL 27 6.890 2.626 -2.416 182 HB VAL 27 HB VAL 27 5.150 1.050 -0.501 183 HG11 VAL 27 HG11 VAL 27 3.607 1.559 -2.702 184 HG12 VAL 27 HG12 VAL 27 4.499 3.073 -2.552 185 HG13 VAL 27 HG13 VAL 27 3.528 2.485 -1.203 186 HG21 VAL 27 HG21 VAL 27 5.777 0.622 -3.438 187 HG22 VAL 27 HG22 VAL 27 4.898 -0.473 -2.370 188 HG23 VAL 27 HG23 VAL 27 6.623 -0.199 -2.125 189 H CYS 28 H CYS 28 6.115 2.653 1.068 190 HA CYS 28 HA CYS 28 4.830 5.249 0.950 191 HB2 CYS 28 HB3 CYS 28 5.980 3.670 3.272 192 HB3 CYS 28 HB2 CYS 28 5.079 5.173 3.457 193 H THR 29 H THR 29 8.116 4.171 1.139 194 HA THR 29 HA THR 29 9.333 6.425 2.392 195 HB THR 29 HB THR 29 10.490 4.640 0.236 196 HG1 THR 29 HG1 THR 29 9.624 4.029 2.617 197 HG21 THR 29 HG21 THR 29 12.636 5.233 1.456 198 HG22 THR 29 HG22 THR 29 11.716 6.473 2.309 199 HG23 THR 29 HG23 THR 29 11.895 6.557 0.557 200 H LYS 30 H LYS 30 8.496 5.850 -1.013 201 HA LYS 30 HA LYS 30 9.883 7.998 -2.183 202 HB2 LYS 30 HB3 LYS 30 7.177 6.825 -2.867 203 HB3 LYS 30 HB2 LYS 30 8.009 7.999 -3.886 204 HG2 LYS 30 HG3 LYS 30 9.124 6.284 -4.829 205 HG3 LYS 30 HG2 LYS 30 9.939 6.035 -3.286 206 HD2 LYS 30 HD3 LYS 30 8.929 3.943 -3.830 207 HD3 LYS 30 HD2 LYS 30 7.911 4.664 -2.584 208 HE2 LYS 30 HE3 LYS 30 6.228 4.202 -4.057 209 HE3 LYS 30 HE2 LYS 30 6.756 5.704 -4.817 210 HZ1 LYS 30 HZ1 LYS 30 7.719 4.614 -6.520 211 HZ2 LYS 30 HZ2 LYS 30 6.602 3.402 -6.115 212 HZ3 LYS 30 HZ3 LYS 30 8.206 3.296 -5.566 213 H ASN 31 H ASN 31 6.910 8.045 -0.302 214 HA ASN 31 HA ASN 31 5.978 10.635 -0.942 215 HB2 ASN 31 HB3 ASN 31 5.966 9.230 1.741 216 HB3 ASN 31 HB2 ASN 31 4.972 10.626 1.325 217 HD21 ASN 31 HD22 ASN 31 3.884 10.134 -1.081 218 HD22 ASN 31 HD21 ASN 31 3.059 8.652 -1.130 219 H GLY 32 H GLY 32 8.664 9.609 1.092 220 HA2 GLY 32 HA3 GLY 32 10.570 11.084 1.445 221 HA3 GLY 32 HA2 GLY 32 9.484 12.464 1.296 222 H ALA 33 H ALA 33 7.943 10.154 3.139 223 HA ALA 33 HA ALA 33 9.180 10.388 5.689 224 HB1 ALA 33 HB1 ALA 33 7.039 12.043 6.325 225 HB2 ALA 33 HB2 ALA 33 7.665 12.728 4.825 226 HB3 ALA 33 HB3 ALA 33 8.728 12.534 6.219 227 H LYS 34 H LYS 34 6.309 9.962 3.752 228 HA LYS 34 HA LYS 34 4.490 8.997 5.683 229 HB2 LYS 34 HB3 LYS 34 4.173 9.352 3.133 230 HB3 LYS 34 HB2 LYS 34 4.818 7.719 2.970 231 HG2 LYS 34 HG3 LYS 34 3.047 6.918 4.544 232 HG3 LYS 34 HG2 LYS 34 2.361 8.543 4.529 233 HD2 LYS 34 HD3 LYS 34 2.164 8.391 2.041 234 HD3 LYS 34 HD2 LYS 34 2.695 6.713 2.141 235 HE2 LYS 34 HE3 LYS 34 0.712 6.663 3.978 236 HE3 LYS 34 HE2 LYS 34 0.095 7.929 2.917 237 HZ1 LYS 34 HZ1 LYS 34 0.557 6.354 1.036 238 HZ2 LYS 34 HZ2 LYS 34 -0.711 5.906 2.068 239 HZ3 LYS 34 HZ3 LYS 34 0.800 5.143 2.203 240 H SER 35 H SER 35 4.507 7.142 6.941 241 HA SER 35 HA SER 35 6.629 5.136 6.314 242 HB2 SER 35 HB3 SER 35 6.640 4.607 8.702 243 HB3 SER 35 HB2 SER 35 6.900 6.334 8.474 244 HG SER 35 HG SER 35 4.782 6.704 9.025 245 H GLY 36 H GLY 36 6.019 2.966 6.145 246 HA2 GLY 36 HA3 GLY 36 3.240 2.259 6.868 247 HA3 GLY 36 HA2 GLY 36 3.742 2.001 5.198 248 H TYR 37 H TYR 37 2.866 -0.131 6.662 249 HA TYR 37 HA TYR 37 5.345 -1.757 6.897 250 HB2 TYR 37 HB3 TYR 37 3.239 -2.469 8.834 251 HB3 TYR 37 HB2 TYR 37 4.986 -2.362 9.063 252 HD1 TYR 37 HD1 TYR 37 1.983 -0.188 8.519 253 HD2 TYR 37 HD2 TYR 37 5.876 -0.577 10.294 254 HE1 TYR 37 HE1 TYR 37 1.698 2.013 9.622 255 HE2 TYR 37 HE2 TYR 37 5.591 1.626 11.399 256 HH TYR 37 HH TYR 37 2.559 3.466 11.070 257 H CYS 38 H CYS 38 4.832 -4.116 6.648 258 HA CYS 38 HA CYS 38 2.462 -4.448 4.888 259 HB2 CYS 38 HB3 CYS 38 4.672 -5.116 3.998 260 HB3 CYS 38 HB2 CYS 38 4.838 -6.279 5.312 261 H GLN 39 H GLN 39 0.695 -5.382 5.737 262 HA GLN 39 HA GLN 39 1.018 -7.113 8.151 263 HB2 GLN 39 HB3 GLN 39 -1.413 -5.601 7.141 264 HB3 GLN 39 HB2 GLN 39 -1.370 -6.605 8.590 265 HG2 GLN 39 HG3 GLN 39 0.464 -5.148 9.482 266 HG3 GLN 39 HG2 GLN 39 0.254 -4.096 8.081 267 HE21 GLN 39 HE22 GLN 39 -2.789 -5.267 8.697 268 HE22 GLN 39 HE21 GLN 39 -3.361 -4.045 9.726 269 H ILE 40 H ILE 40 -0.672 -8.927 8.240 270 HA ILE 40 HA ILE 40 -0.707 -10.233 5.583 271 HB ILE 40 HB ILE 40 -1.169 -12.287 6.787 272 HG12 ILE 40 HG13 ILE 40 -1.441 -10.512 9.239 273 HG13 ILE 40 HG12 ILE 40 -2.757 -11.378 8.445 274 HG21 ILE 40 HG21 ILE 40 1.120 -10.720 7.122 275 HG22 ILE 40 HG22 ILE 40 0.983 -12.449 7.442 276 HG23 ILE 40 HG23 ILE 40 0.740 -11.289 8.747 277 HD11 ILE 40 HD11 ILE 40 -2.296 -13.088 9.844 278 HD12 ILE 40 HD12 ILE 40 -0.757 -12.375 10.327 279 HD13 ILE 40 HD13 ILE 40 -0.854 -13.356 8.864 280 H LEU 41 H LEU 41 -2.581 -10.678 4.479 281 HA LEU 41 HA LEU 41 -4.934 -9.176 5.015 282 HB2 LEU 41 HB3 LEU 41 -4.177 -10.294 2.810 283 HB3 LEU 41 HB2 LEU 41 -4.920 -11.761 3.444 284 HG LEU 41 HG LEU 41 -6.393 -9.124 3.274 285 HD11 LEU 41 HD11 LEU 41 -7.458 -10.637 1.278 286 HD12 LEU 41 HD12 LEU 41 -5.761 -11.106 1.177 287 HD13 LEU 41 HD13 LEU 41 -6.217 -9.410 1.027 288 HD21 LEU 41 HD21 LEU 41 -7.038 -11.874 4.139 289 HD22 LEU 41 HD22 LEU 41 -8.209 -11.177 3.022 290 HD23 LEU 41 HD23 LEU 41 -7.835 -10.354 4.534 291 H GLY 42 H GLY 42 -3.970 -12.447 5.896 292 HA2 GLY 42 HA3 GLY 42 -5.018 -13.056 8.187 293 HA3 GLY 42 HA2 GLY 42 -6.552 -12.800 7.351 294 H THR 43 H THR 43 -5.431 -13.888 4.817 295 HA THR 43 HA THR 43 -4.470 -16.535 5.106 296 HB THR 43 HB THR 43 -7.140 -17.197 4.389 297 HG1 THR 43 HG1 THR 43 -7.374 -15.141 5.732 298 HG21 THR 43 HG21 THR 43 -5.368 -18.603 5.499 299 HG22 THR 43 HG22 THR 43 -6.958 -18.718 6.254 300 HG23 THR 43 HG23 THR 43 -5.698 -17.733 6.997 301 H TYR 44 H TYR 44 -6.747 -14.469 3.342 302 HA TYR 44 HA TYR 44 -6.493 -15.797 0.816 303 HB2 TYR 44 HB3 TYR 44 -7.185 -12.916 1.457 304 HB3 TYR 44 HB2 TYR 44 -7.386 -13.670 -0.125 305 HD1 TYR 44 HD2 TYR 44 -9.005 -15.528 -0.439 306 HD2 TYR 44 HD1 TYR 44 -8.688 -13.400 3.280 307 HE1 TYR 44 HE2 TYR 44 -11.194 -16.448 0.274 308 HE2 TYR 44 HE1 TYR 44 -10.879 -14.321 3.993 309 HH TYR 44 HH TYR 44 -12.233 -16.633 3.236 310 H GLY 45 H GLY 45 -4.584 -13.237 2.367 311 HA2 GLY 45 HA3 GLY 45 -2.237 -13.799 0.893 312 HA3 GLY 45 HA2 GLY 45 -3.080 -12.510 0.035 313 H ASN 46 H ASN 46 -1.337 -11.059 0.548 314 HA ASN 46 HA ASN 46 -1.304 -10.148 3.382 315 HB2 ASN 46 HB3 ASN 46 0.888 -10.277 1.308 316 HB3 ASN 46 HB2 ASN 46 1.018 -9.279 2.750 317 HD21 ASN 46 HD22 ASN 46 0.934 -10.431 4.883 318 HD22 ASN 46 HD21 ASN 46 1.382 -12.066 4.967 319 H GLY 47 H GLY 47 -0.951 -7.779 3.617 320 HA2 GLY 47 HA3 GLY 47 -1.622 -6.210 1.176 321 HA3 GLY 47 HA2 GLY 47 -2.620 -6.013 2.616 322 H CYS 48 H CYS 48 -1.165 -3.873 1.478 323 HA CYS 48 HA CYS 48 1.083 -3.475 3.382 324 HB2 CYS 48 HB3 CYS 48 0.533 -2.598 0.631 325 HB3 CYS 48 HB2 CYS 48 1.135 -1.317 1.682 326 H TRP 49 H TRP 49 0.818 -2.046 5.037 327 HA TRP 49 HA TRP 49 -1.602 -0.300 4.985 328 HB2 TRP 49 HB3 TRP 49 -0.974 -2.180 6.837 329 HB3 TRP 49 HB2 TRP 49 -0.148 -0.785 7.529 330 HD1 TRP 49 HD1 TRP 49 -1.825 1.538 7.525 331 HE1 TRP 49 HE1 TRP 49 -4.255 1.653 8.368 332 HE3 TRP 49 HE3 TRP 49 -3.076 -3.400 7.252 333 HZ2 TRP 49 HZ2 TRP 49 -6.450 -0.123 8.857 334 HZ3 TRP 49 HZ3 TRP 49 -5.338 -4.163 7.908 335 HH2 TRP 49 HH2 TRP 49 -7.026 -2.533 8.710 336 H CYS 50 H CYS 50 -1.065 1.812 4.561 337 HA CYS 50 HA CYS 50 1.639 2.741 5.409 338 HB2 CYS 50 HB3 CYS 50 0.780 2.866 2.932 339 HB3 CYS 50 HB2 CYS 50 -0.085 4.290 3.516 340 H ILE 51 H ILE 51 1.676 3.976 7.201 341 HA ILE 51 HA ILE 51 -0.744 5.612 7.824 342 HB ILE 51 HB ILE 51 1.198 4.378 9.793 343 HG12 ILE 51 HG13 ILE 51 -1.638 3.555 9.090 344 HG13 ILE 51 HG12 ILE 51 -0.188 2.713 8.543 345 HG21 ILE 51 HG21 ILE 51 -0.722 6.469 10.020 346 HG22 ILE 51 HG22 ILE 51 0.194 5.698 11.314 347 HG23 ILE 51 HG23 ILE 51 -1.383 5.060 10.850 348 HD11 ILE 51 HD11 ILE 51 -0.381 1.491 10.438 349 HD12 ILE 51 HD12 ILE 51 -1.509 2.640 11.160 350 HD13 ILE 51 HD13 ILE 51 0.229 2.924 11.267 351 H ALA 52 H ALA 52 -0.422 7.755 8.193 352 HA ALA 52 HA ALA 52 1.907 8.954 9.272 353 HB1 ALA 52 HB1 ALA 52 3.256 9.502 7.521 354 HB2 ALA 52 HB2 ALA 52 1.899 9.733 6.420 355 HB3 ALA 52 HB3 ALA 52 2.503 8.110 6.746 356 H LEU 53 H LEU 53 -0.691 9.371 6.885 357 HA LEU 53 HA LEU 53 -1.382 11.942 8.250 358 HB2 LEU 53 HB3 LEU 53 -0.304 12.343 6.028 359 HB3 LEU 53 HB2 LEU 53 -1.589 11.399 5.274 360 HG LEU 53 HG LEU 53 -3.266 12.978 6.229 361 HD11 LEU 53 HD11 LEU 53 -1.971 15.252 6.881 362 HD12 LEU 53 HD12 LEU 53 -0.780 14.077 7.440 363 HD13 LEU 53 HD13 LEU 53 -2.422 14.041 8.081 364 HD21 LEU 53 HD21 LEU 53 -1.288 14.696 4.783 365 HD22 LEU 53 HD22 LEU 53 -3.016 14.496 4.497 366 HD23 LEU 53 HD23 LEU 53 -1.884 13.252 3.966 367 HA PRO 54 HA PRO 54 -5.078 9.164 7.958 368 HB2 PRO 54 HB2 PRO 54 -5.545 8.830 10.595 369 HB3 PRO 54 HB3 PRO 54 -4.355 7.850 9.718 370 HG2 PRO 54 HG3 PRO 54 -3.933 10.112 11.585 371 HG3 PRO 54 HG2 PRO 54 -2.934 8.678 11.299 372 HD2 PRO 54 HD3 PRO 54 -2.465 11.250 10.242 373 HD3 PRO 54 HD2 PRO 54 -1.697 9.743 9.701 374 H ASP 55 H ASP 55 -4.853 12.155 7.938 375 HA ASP 55 HA ASP 55 -6.518 13.440 9.796 376 HB2 ASP 55 HB3 ASP 55 -5.240 14.535 7.907 377 HB3 ASP 55 HB2 ASP 55 -6.519 14.001 6.817 378 H ASN 56 H ASN 56 -7.394 11.472 6.992 379 HA ASN 56 HA ASN 56 -10.212 11.493 7.976 380 HB2 ASN 56 HB3 ASN 56 -9.244 11.583 5.108 381 HB3 ASN 56 HB2 ASN 56 -10.925 11.339 5.587 382 HD21 ASN 56 HD22 ASN 56 -10.094 13.626 4.041 383 HD22 ASN 56 HD21 ASN 56 -10.313 15.012 4.996 384 H VAL 57 H VAL 57 -7.516 9.731 6.654 385 HA VAL 57 HA VAL 57 -7.198 7.433 6.271 386 HB VAL 57 HB VAL 57 -9.255 7.345 8.498 387 HG11 VAL 57 HG11 VAL 57 -9.292 5.129 8.013 388 HG12 VAL 57 HG12 VAL 57 -7.671 5.097 8.706 389 HG13 VAL 57 HG13 VAL 57 -7.880 5.248 6.962 390 HG21 VAL 57 HG21 VAL 57 -7.072 8.569 8.908 391 HG22 VAL 57 HG22 VAL 57 -6.242 7.041 8.615 392 HG23 VAL 57 HG23 VAL 57 -7.356 7.193 9.974 393 HA PRO 58 HA PRO 58 -11.185 6.900 3.935 394 HB2 PRO 58 HB2 PRO 58 -10.636 8.011 1.594 395 HB3 PRO 58 HB3 PRO 58 -10.920 9.061 3.003 396 HG2 PRO 58 HG3 PRO 58 -8.348 8.252 1.733 397 HG3 PRO 58 HG2 PRO 58 -8.841 9.834 2.364 398 HD2 PRO 58 HD3 PRO 58 -7.300 7.924 3.752 399 HD3 PRO 58 HD2 PRO 58 -8.128 9.316 4.485 400 H ILE 59 H ILE 59 -11.564 5.320 2.225 401 HA ILE 59 HA ILE 59 -9.106 3.907 1.292 402 HB ILE 59 HB ILE 59 -11.751 2.642 2.057 403 HG12 ILE 59 HG13 ILE 59 -9.092 2.445 3.489 404 HG13 ILE 59 HG12 ILE 59 -10.317 3.632 3.934 405 HG21 ILE 59 HG21 ILE 59 -10.934 0.724 1.171 406 HG22 ILE 59 HG22 ILE 59 -9.353 0.976 1.910 407 HG23 ILE 59 HG23 ILE 59 -9.734 1.731 0.363 408 HD11 ILE 59 HD11 ILE 59 -11.368 0.907 3.633 409 HD12 ILE 59 HD12 ILE 59 -11.627 2.078 4.924 410 HD13 ILE 59 HD13 ILE 59 -10.178 1.072 4.925 411 H ARG 60 H ARG 60 -8.970 3.943 -0.889 412 HA ARG 60 HA ARG 60 -11.435 4.530 -2.425 413 HB2 ARG 60 HB3 ARG 60 -8.659 5.248 -2.694 414 HB3 ARG 60 HB2 ARG 60 -9.191 4.411 -4.152 415 HG2 ARG 60 HG3 ARG 60 -10.626 6.756 -2.868 416 HG3 ARG 60 HG2 ARG 60 -9.601 6.853 -4.302 417 HD2 ARG 60 HD3 ARG 60 -11.318 4.797 -4.952 418 HD3 ARG 60 HD2 ARG 60 -12.366 5.882 -4.039 419 HE ARG 60 HE ARG 60 -12.322 7.297 -5.913 420 HH11 ARG 60 HH22 ARG 60 -9.458 5.389 -5.705 421 HH12 ARG 60 HH21 ARG 60 -8.771 6.022 -7.163 422 HH21 ARG 60 HH11 ARG 60 -11.441 8.135 -7.817 423 HH22 ARG 60 HH12 ARG 60 -9.893 7.578 -8.359 424 H ILE 61 H ILE 61 -12.395 2.446 -2.427 425 HA ILE 61 HA ILE 61 -10.934 0.431 -4.086 426 HB ILE 61 HB ILE 61 -12.412 -1.223 -2.670 427 HG12 ILE 61 HG13 ILE 61 -12.064 1.122 -0.779 428 HG13 ILE 61 HG12 ILE 61 -13.599 0.622 -1.487 429 HG21 ILE 61 HG21 ILE 61 -9.924 -1.135 -2.729 430 HG22 ILE 61 HG22 ILE 61 -10.538 -1.501 -1.116 431 HG23 ILE 61 HG23 ILE 61 -9.960 0.122 -1.494 432 HD11 ILE 61 HD11 ILE 61 -13.442 -1.553 -0.397 433 HD12 ILE 61 HD12 ILE 61 -13.260 -0.286 0.816 434 HD13 ILE 61 HD13 ILE 61 -11.842 -1.156 0.230 435 HA PRO 62 HA PRO 62 -15.086 1.358 -5.913 436 HB2 PRO 62 HB2 PRO 62 -14.216 1.899 -8.439 437 HB3 PRO 62 HB3 PRO 62 -14.274 3.124 -7.157 438 HG2 PRO 62 HG3 PRO 62 -11.957 1.660 -8.270 439 HG3 PRO 62 HG2 PRO 62 -12.054 3.300 -7.612 440 HD2 PRO 62 HD3 PRO 62 -11.045 1.064 -6.258 441 HD3 PRO 62 HD2 PRO 62 -11.533 2.594 -5.501 442 H GLY 63 H GLY 63 -13.174 -1.146 -5.795 443 HA2 GLY 63 HA3 GLY 63 -13.942 -3.370 -6.434 444 HA3 GLY 63 HA2 GLY 63 -14.658 -2.659 -7.881 445 H LYS 64 H LYS 64 -12.103 -0.982 -8.116 446 HA LYS 64 HA LYS 64 -10.752 -2.607 -10.027 447 HB2 LYS 64 HB3 LYS 64 -10.612 -0.128 -9.972 448 HB3 LYS 64 HB2 LYS 64 -9.672 -0.231 -8.483 449 HG2 LYS 64 HG3 LYS 64 -7.965 -1.587 -9.694 450 HG3 LYS 64 HG2 LYS 64 -8.884 -1.364 -11.183 451 HD2 LYS 64 HD3 LYS 64 -8.625 1.078 -10.984 452 HD3 LYS 64 HD2 LYS 64 -7.711 0.863 -9.490 453 HE2 LYS 64 HE3 LYS 64 -5.836 0.614 -10.700 454 HE3 LYS 64 HE2 LYS 64 -6.525 -0.832 -11.433 455 HZ1 LYS 64 HZ1 LYS 64 -7.670 1.488 -12.572 456 HZ2 LYS 64 HZ2 LYS 64 -6.803 0.245 -13.332 457 HZ3 LYS 64 HZ3 LYS 64 -5.977 1.576 -12.673 458 H CYS 65 H CYS 65 -10.109 -1.970 -6.600 459 HA CYS 65 HA CYS 65 -7.589 -3.266 -6.422 460 HB2 CYS 65 HB3 CYS 65 -8.772 -1.870 -4.639 461 HB3 CYS 65 HB2 CYS 65 -9.701 -3.321 -4.259 462 H HIS 66 H HIS 66 -10.877 -4.569 -6.378 463 HA HIS 66 HA HIS 66 -10.335 -7.189 -5.481 464 HB2 HIS 66 HB3 HIS 66 -12.615 -6.280 -5.948 465 HB3 HIS 66 HB2 HIS 66 -12.276 -6.400 -7.675 466 HD1 HIS 66 HD1 HIS 66 -12.137 -8.724 -4.637 467 HD2 HIS 66 HD2 HIS 66 -13.069 -8.832 -8.702 468 HE1 HIS 66 HE1 HIS 66 -12.909 -11.087 -5.135 469 HE2 HIS 66 HE2 HIS 66 -13.478 -11.163 -7.606 Start of MODEL 4 1 H1 ALA 1 H1 ALA 1 -2.216 10.753 4.095 2 H2 ALA 1 H2 ALA 1 -3.132 10.664 2.667 3 H3 ALA 1 H3 ALA 1 -2.076 9.401 3.082 4 HA ALA 1 HA ALA 1 -4.221 10.114 4.951 5 HB1 ALA 1 HB1 ALA 1 -4.992 9.785 2.426 6 HB2 ALA 1 HB2 ALA 1 -5.894 9.050 3.752 7 HB3 ALA 1 HB3 ALA 1 -4.752 8.082 2.819 8 H ARG 2 H ARG 2 -5.073 7.307 4.820 9 HA ARG 2 HA ARG 2 -2.615 5.994 5.914 10 HB2 ARG 2 HB3 ARG 2 -4.201 6.656 7.710 11 HB3 ARG 2 HB2 ARG 2 -5.462 5.706 6.922 12 HG2 ARG 2 HG3 ARG 2 -4.055 3.675 7.160 13 HG3 ARG 2 HG2 ARG 2 -2.839 4.635 8.000 14 HD2 ARG 2 HD3 ARG 2 -4.197 3.533 9.667 15 HD3 ARG 2 HD2 ARG 2 -4.591 5.252 9.690 16 HE ARG 2 HE ARG 2 -6.771 4.684 9.005 17 HH11 ARG 2 HH22 ARG 2 -4.504 2.185 8.292 18 HH12 ARG 2 HH21 ARG 2 -5.706 1.075 7.725 19 HH21 ARG 2 HH11 ARG 2 -8.352 3.249 8.268 20 HH22 ARG 2 HH12 ARG 2 -7.885 1.677 7.710 21 H ASP 3 H ASP 3 -2.176 4.025 5.002 22 HA ASP 3 HA ASP 3 -4.214 2.895 3.158 23 HB2 ASP 3 HB3 ASP 3 -1.272 2.229 3.460 24 HB3 ASP 3 HB2 ASP 3 -2.353 1.572 2.237 25 H ALA 4 H ALA 4 -4.926 0.750 3.404 26 HA ALA 4 HA ALA 4 -4.266 -0.488 6.035 27 HB1 ALA 4 HB1 ALA 4 -6.458 -1.823 5.365 28 HB2 ALA 4 HB2 ALA 4 -6.735 -0.414 4.344 29 HB3 ALA 4 HB3 ALA 4 -6.571 -0.219 6.088 30 H TYR 5 H TYR 5 -5.762 -2.049 3.250 31 HA TYR 5 HA TYR 5 -3.559 -4.051 3.302 32 HB2 TYR 5 HB3 TYR 5 -6.142 -4.233 1.742 33 HB3 TYR 5 HB2 TYR 5 -5.080 -5.544 2.247 34 HD1 TYR 5 HD1 TYR 5 -4.881 -6.113 4.696 35 HD2 TYR 5 HD2 TYR 5 -7.823 -3.374 3.186 36 HE1 TYR 5 HE1 TYR 5 -6.173 -6.344 6.801 37 HE2 TYR 5 HE2 TYR 5 -9.118 -3.603 5.292 38 HH TYR 5 HH TYR 5 -9.098 -4.410 7.380 39 H ILE 6 H ILE 6 -5.077 -1.631 1.294 40 HA ILE 6 HA ILE 6 -3.367 -2.407 -1.008 41 HB ILE 6 HB ILE 6 -5.715 -0.505 -0.820 42 HG12 ILE 6 HG13 ILE 6 -5.476 -3.227 -2.137 43 HG13 ILE 6 HG12 ILE 6 -6.225 -2.948 -0.564 44 HG21 ILE 6 HG21 ILE 6 -3.698 -1.041 -2.903 45 HG22 ILE 6 HG22 ILE 6 -4.747 0.358 -2.684 46 HG23 ILE 6 HG23 ILE 6 -5.369 -1.095 -3.464 47 HD11 ILE 6 HD11 ILE 6 -8.010 -2.958 -2.158 48 HD12 ILE 6 HD12 ILE 6 -7.123 -1.898 -3.252 49 HD13 ILE 6 HD13 ILE 6 -7.745 -1.268 -1.727 50 H ALA 7 H ALA 7 -1.797 -1.020 -1.792 51 HA ALA 7 HA ALA 7 -1.268 1.404 -0.133 52 HB1 ALA 7 HB1 ALA 7 0.879 0.729 -0.144 53 HB2 ALA 7 HB2 ALA 7 0.895 0.765 -1.907 54 HB3 ALA 7 HB3 ALA 7 0.403 -0.701 -1.059 55 H LYS 8 H LYS 8 -2.492 0.437 -3.085 56 HA LYS 8 HA LYS 8 -1.922 3.108 -4.284 57 HB2 LYS 8 HB3 LYS 8 -2.505 0.794 -6.067 58 HB3 LYS 8 HB2 LYS 8 -1.429 2.168 -6.325 59 HG2 LYS 8 HG3 LYS 8 -0.053 1.087 -4.356 60 HG3 LYS 8 HG2 LYS 8 -0.918 -0.378 -4.814 61 HD2 LYS 8 HD3 LYS 8 0.651 1.335 -6.762 62 HD3 LYS 8 HD2 LYS 8 1.296 -0.104 -5.974 63 HE2 LYS 8 HE3 LYS 8 -1.197 -0.877 -7.021 64 HE3 LYS 8 HE2 LYS 8 -0.427 0.078 -8.288 65 HZ1 LYS 8 HZ1 LYS 8 1.446 -1.653 -7.053 66 HZ2 LYS 8 HZ2 LYS 8 0.993 -1.556 -8.685 67 HZ3 LYS 8 HZ3 LYS 8 0.111 -2.541 -7.617 68 HA PRO 9 HA PRO 9 -6.465 2.801 -3.403 69 HB2 PRO 9 HB2 PRO 9 -6.132 5.611 -4.375 70 HB3 PRO 9 HB3 PRO 9 -7.066 4.999 -2.996 71 HG2 PRO 9 HG3 PRO 9 -4.722 6.214 -2.654 72 HG3 PRO 9 HG2 PRO 9 -5.224 4.853 -1.636 73 HD2 PRO 9 HD3 PRO 9 -3.176 4.930 -3.795 74 HD3 PRO 9 HD2 PRO 9 -3.267 3.880 -2.362 75 H HIS 10 H HIS 10 -4.740 3.905 -6.263 76 HA HIS 10 HA HIS 10 -7.157 3.737 -7.935 77 HB2 HIS 10 HB3 HIS 10 -4.243 4.196 -8.649 78 HB3 HIS 10 HB2 HIS 10 -5.584 4.273 -9.792 79 HD1 HIS 10 HD1 HIS 10 -3.976 6.145 -6.978 80 HD2 HIS 10 HD2 HIS 10 -7.301 6.549 -9.464 81 HE1 HIS 10 HE1 HIS 10 -4.830 8.510 -6.657 82 HE2 HIS 10 HE2 HIS 10 -6.853 8.766 -8.166 83 H ASN 11 H ASN 11 -4.583 1.709 -6.865 84 HA ASN 11 HA ASN 11 -5.627 -0.470 -8.597 85 HB2 ASN 11 HB3 ASN 11 -2.703 0.249 -8.274 86 HB3 ASN 11 HB2 ASN 11 -3.295 -1.211 -9.067 87 HD21 ASN 11 HD22 ASN 11 -4.089 2.317 -9.206 88 HD22 ASN 11 HD21 ASN 11 -4.116 2.388 -10.903 89 H CYS 12 H CYS 12 -3.437 -2.237 -7.646 90 HA CYS 12 HA CYS 12 -3.978 -2.364 -4.732 91 HB2 CYS 12 HB3 CYS 12 -4.521 -4.548 -6.749 92 HB3 CYS 12 HB2 CYS 12 -4.364 -4.860 -5.021 93 H VAL 13 H VAL 13 -2.597 -4.385 -3.865 94 HA VAL 13 HA VAL 13 0.127 -3.992 -5.006 95 HB VAL 13 HB VAL 13 -0.691 -5.227 -2.353 96 HG11 VAL 13 HG11 VAL 13 1.516 -5.949 -3.223 97 HG12 VAL 13 HG12 VAL 13 1.685 -4.932 -1.792 98 HG13 VAL 13 HG13 VAL 13 1.991 -4.259 -3.393 99 HG21 VAL 13 HG21 VAL 13 0.618 -2.828 -1.868 100 HG22 VAL 13 HG22 VAL 13 -1.125 -3.079 -1.772 101 HG23 VAL 13 HG23 VAL 13 -0.407 -2.449 -3.253 102 H TYR 14 H TYR 14 1.068 -5.640 -6.121 103 HA TYR 14 HA TYR 14 -0.374 -8.080 -6.638 104 HB2 TYR 14 HB3 TYR 14 1.477 -8.697 -8.013 105 HB3 TYR 14 HB2 TYR 14 1.335 -6.946 -8.164 106 HD1 TYR 14 HD2 TYR 14 2.889 -5.448 -6.921 107 HD2 TYR 14 HD1 TYR 14 3.380 -9.715 -6.952 108 HE1 TYR 14 HE2 TYR 14 5.215 -5.186 -6.108 109 HE2 TYR 14 HE1 TYR 14 5.708 -9.452 -6.140 110 HH TYR 14 HH TYR 14 6.966 -7.557 -4.749 111 H GLU 15 H GLU 15 2.245 -7.211 -4.431 112 HA GLU 15 HA GLU 15 1.657 -9.440 -2.701 113 HB2 GLU 15 HB3 GLU 15 2.901 -10.566 -4.624 114 HB3 GLU 15 HB2 GLU 15 4.317 -9.633 -4.131 115 HG2 GLU 15 HG3 GLU 15 4.125 -10.596 -1.846 116 HG3 GLU 15 HG2 GLU 15 2.783 -11.596 -2.406 117 H CYS 16 H CYS 16 1.736 -7.798 -1.085 118 HA CYS 16 HA CYS 16 4.036 -6.051 -0.824 119 HB2 CYS 16 HB3 CYS 16 2.745 -5.028 0.725 120 HB3 CYS 16 HB2 CYS 16 1.491 -6.212 0.359 121 H PHE 17 H PHE 17 5.987 -6.620 -0.012 122 HA PHE 17 HA PHE 17 6.260 -9.278 1.244 123 HB2 PHE 17 HB3 PHE 17 7.863 -8.785 -0.486 124 HB3 PHE 17 HB2 PHE 17 8.297 -7.259 0.280 125 HD1 PHE 17 HD2 PHE 17 8.464 -10.948 0.580 126 HD2 PHE 17 HD1 PHE 17 9.770 -7.185 2.189 127 HE1 PHE 17 HE2 PHE 17 10.147 -12.125 1.972 128 HE2 PHE 17 HE1 PHE 17 11.449 -8.363 3.582 129 HZ PHE 17 HZ PHE 17 11.635 -10.832 3.475 130 H ASP 18 H ASP 18 7.552 -9.498 3.242 131 HA ASP 18 HA ASP 18 6.582 -8.142 5.429 132 HB2 ASP 18 HB3 ASP 18 9.396 -9.197 5.040 133 HB3 ASP 18 HB2 ASP 18 8.719 -8.735 6.602 134 H ALA 19 H ALA 19 6.689 -6.083 6.141 135 HA ALA 19 HA ALA 19 8.265 -4.099 4.730 136 HB1 ALA 19 HB1 ALA 19 7.261 -2.504 6.244 137 HB2 ALA 19 HB2 ALA 19 6.806 -3.784 7.368 138 HB3 ALA 19 HB3 ALA 19 6.017 -3.670 5.795 139 H PHE 20 H PHE 20 8.946 -6.251 7.270 140 HA PHE 20 HA PHE 20 10.603 -4.791 9.002 141 HB2 PHE 20 HB3 PHE 20 10.032 -7.213 9.255 142 HB3 PHE 20 HB2 PHE 20 11.160 -7.581 7.951 143 HD1 PHE 20 HD1 PHE 20 10.857 -6.262 11.401 144 HD2 PHE 20 HD2 PHE 20 13.544 -7.515 8.292 145 HE1 PHE 20 HE1 PHE 20 12.737 -6.249 13.019 146 HE2 PHE 20 HE2 PHE 20 15.423 -7.503 9.910 147 HZ PHE 20 HZ PHE 20 15.019 -6.870 12.275 148 H SER 21 H SER 21 11.478 -6.300 5.876 149 HA SER 21 HA SER 21 14.213 -5.416 5.952 150 HB2 SER 21 HB3 SER 21 12.499 -6.002 3.523 151 HB3 SER 21 HB2 SER 21 14.259 -5.965 3.572 152 HG SER 21 HG SER 21 14.274 -7.793 4.746 153 H SER 22 H SER 22 11.525 -4.206 3.935 154 HA SER 22 HA SER 22 11.402 -1.555 4.465 155 HB2 SER 22 HB3 SER 22 14.032 -2.153 3.170 156 HB3 SER 22 HB2 SER 22 13.192 -0.682 2.692 157 HG SER 22 HG SER 22 13.862 0.139 4.495 158 H TYR 23 H TYR 23 10.982 -4.098 2.438 159 HA TYR 23 HA TYR 23 10.639 -2.967 -0.136 160 HB2 TYR 23 HB3 TYR 23 10.554 -5.399 0.328 161 HB3 TYR 23 HB2 TYR 23 9.005 -5.175 1.141 162 HD1 TYR 23 HD2 TYR 23 10.758 -5.130 -2.100 163 HD2 TYR 23 HD1 TYR 23 6.986 -4.631 -0.106 164 HE1 TYR 23 HE2 TYR 23 9.589 -5.246 -4.284 165 HE2 TYR 23 HE1 TYR 23 5.817 -4.748 -2.291 166 HH TYR 23 HH TYR 23 7.583 -4.755 -5.321 167 H CYS 24 H CYS 24 8.140 -3.451 2.388 168 HA CYS 24 HA CYS 24 6.111 -2.033 0.931 169 HB2 CYS 24 HB3 CYS 24 5.705 -3.600 2.873 170 HB3 CYS 24 HB2 CYS 24 6.295 -2.327 3.940 171 H ASN 25 H ASN 25 8.466 -1.041 3.384 172 HA ASN 25 HA ASN 25 7.547 1.624 3.742 173 HB2 ASN 25 HB3 ASN 25 10.393 0.576 3.829 174 HB3 ASN 25 HB2 ASN 25 9.843 2.106 4.512 175 HD21 ASN 25 HD22 ASN 25 7.421 -0.276 4.797 176 HD22 ASN 25 HD21 ASN 25 7.716 -0.726 6.407 177 H GLY 26 H GLY 26 9.698 0.194 1.317 178 HA2 GLY 26 HA3 GLY 26 10.496 2.644 0.075 179 HA3 GLY 26 HA2 GLY 26 10.489 1.066 -0.716 180 H VAL 27 H VAL 27 7.836 0.377 -0.693 181 HA VAL 27 HA VAL 27 6.760 1.975 -2.826 182 HB VAL 27 HB VAL 27 5.458 -0.093 -1.031 183 HG11 VAL 27 HG11 VAL 27 4.355 1.713 -3.054 184 HG12 VAL 27 HG12 VAL 27 3.516 0.681 -1.895 185 HG13 VAL 27 HG13 VAL 27 4.066 0.015 -3.434 186 HG21 VAL 27 HG21 VAL 27 7.167 -1.120 -2.341 187 HG22 VAL 27 HG22 VAL 27 6.759 -0.158 -3.762 188 HG23 VAL 27 HG23 VAL 27 5.667 -1.430 -3.215 189 H CYS 28 H CYS 28 6.020 1.744 0.635 190 HA CYS 28 HA CYS 28 3.848 3.604 0.639 191 HB2 CYS 28 HB3 CYS 28 4.464 2.013 2.505 192 HB3 CYS 28 HB2 CYS 28 5.798 3.095 2.900 193 H THR 29 H THR 29 7.348 4.026 0.878 194 HA THR 29 HA THR 29 7.436 6.716 1.725 195 HB THR 29 HB THR 29 9.273 5.401 -0.295 196 HG1 THR 29 HG1 THR 29 9.146 5.360 2.525 197 HG21 THR 29 HG21 THR 29 10.527 7.208 1.554 198 HG22 THR 29 HG22 THR 29 9.175 8.028 0.772 199 HG23 THR 29 HG23 THR 29 10.456 7.309 -0.205 200 H LYS 30 H LYS 30 7.052 5.414 -1.573 201 HA LYS 30 HA LYS 30 7.134 7.917 -2.929 202 HB2 LYS 30 HB3 LYS 30 5.749 5.307 -3.566 203 HB3 LYS 30 HB2 LYS 30 5.650 6.699 -4.642 204 HG2 LYS 30 HG3 LYS 30 7.485 5.450 -5.466 205 HG3 LYS 30 HG2 LYS 30 8.228 6.743 -4.527 206 HD2 LYS 30 HD3 LYS 30 8.608 5.278 -2.660 207 HD3 LYS 30 HD2 LYS 30 7.619 4.008 -3.382 208 HE2 LYS 30 HE3 LYS 30 9.216 3.690 -5.166 209 HE3 LYS 30 HE2 LYS 30 10.152 5.089 -4.639 210 HZ1 LYS 30 HZ1 LYS 30 9.991 2.414 -3.481 211 HZ2 LYS 30 HZ2 LYS 30 10.156 3.712 -2.403 212 HZ3 LYS 30 HZ3 LYS 30 11.321 3.462 -3.614 213 H ASN 31 H ASN 31 4.485 6.219 -1.314 214 HA ASN 31 HA ASN 31 2.356 7.910 -2.147 215 HB2 ASN 31 HB3 ASN 31 2.743 6.450 0.486 216 HB3 ASN 31 HB2 ASN 31 1.222 7.158 -0.058 217 HD21 ASN 31 HD22 ASN 31 1.461 4.340 0.419 218 HD22 ASN 31 HD21 ASN 31 1.317 3.533 -1.067 219 H GLY 32 H GLY 32 4.887 8.337 0.231 220 HA2 GLY 32 HA3 GLY 32 5.590 10.561 0.921 221 HA3 GLY 32 HA2 GLY 32 3.943 11.130 0.643 222 H ALA 33 H ALA 33 3.615 8.204 2.087 223 HA ALA 33 HA ALA 33 2.732 9.328 4.588 224 HB1 ALA 33 HB1 ALA 33 1.862 7.258 4.974 225 HB2 ALA 33 HB2 ALA 33 3.364 6.441 4.542 226 HB3 ALA 33 HB3 ALA 33 2.257 6.979 3.279 227 H LYS 34 H LYS 34 3.696 9.076 6.677 228 HA LYS 34 HA LYS 34 6.495 9.487 6.830 229 HB2 LYS 34 HB3 LYS 34 4.822 10.041 8.618 230 HB3 LYS 34 HB2 LYS 34 4.714 8.321 8.989 231 HG2 LYS 34 HG3 LYS 34 7.423 8.697 9.031 232 HG3 LYS 34 HG2 LYS 34 6.851 10.253 9.631 233 HD2 LYS 34 HD3 LYS 34 6.019 7.547 10.718 234 HD3 LYS 34 HD2 LYS 34 7.176 8.640 11.481 235 HE2 LYS 34 HE3 LYS 34 5.096 10.340 11.132 236 HE3 LYS 34 HE2 LYS 34 4.217 8.823 11.330 237 HZ1 LYS 34 HZ1 LYS 34 6.404 9.426 13.185 238 HZ2 LYS 34 HZ2 LYS 34 4.976 8.550 13.447 239 HZ3 LYS 34 HZ3 LYS 34 4.930 10.248 13.387 240 H SER 35 H SER 35 4.715 6.552 7.872 241 HA SER 35 HA SER 35 6.963 4.906 6.857 242 HB2 SER 35 HB3 SER 35 5.895 4.725 9.691 243 HB3 SER 35 HB2 SER 35 7.087 3.645 8.974 244 HG SER 35 HG SER 35 7.658 5.748 10.260 245 H GLY 36 H GLY 36 6.336 2.572 6.757 246 HA2 GLY 36 HA3 GLY 36 3.417 2.112 6.931 247 HA3 GLY 36 HA2 GLY 36 4.193 1.855 5.370 248 H TYR 37 H TYR 37 2.844 -0.178 6.843 249 HA TYR 37 HA TYR 37 5.126 -2.042 7.306 250 HB2 TYR 37 HB3 TYR 37 2.607 -2.072 8.982 251 HB3 TYR 37 HB2 TYR 37 4.100 -2.969 9.260 252 HD1 TYR 37 HD2 TYR 37 6.278 -1.488 9.511 253 HD2 TYR 37 HD1 TYR 37 2.269 -0.065 10.110 254 HE1 TYR 37 HE2 TYR 37 7.149 0.396 10.870 255 HE2 TYR 37 HE1 TYR 37 3.139 1.819 11.467 256 HH TYR 37 HH TYR 37 4.945 2.843 12.245 257 H CYS 38 H CYS 38 4.443 -4.343 7.012 258 HA CYS 38 HA CYS 38 2.310 -4.515 4.959 259 HB2 CYS 38 HB3 CYS 38 4.833 -5.922 5.469 260 HB3 CYS 38 HB2 CYS 38 3.492 -7.000 5.085 261 H GLN 39 H GLN 39 0.379 -5.322 5.527 262 HA GLN 39 HA GLN 39 0.192 -6.903 8.052 263 HB2 GLN 39 HB3 GLN 39 -1.160 -4.771 7.827 264 HB3 GLN 39 HB2 GLN 39 -2.064 -5.567 6.535 265 HG2 GLN 39 HG3 GLN 39 -2.753 -7.343 8.059 266 HG3 GLN 39 HG2 GLN 39 -1.777 -6.646 9.353 267 HE21 GLN 39 HE22 GLN 39 -2.485 -4.554 10.258 268 HE22 GLN 39 HE21 GLN 39 -4.087 -4.029 10.064 269 H ILE 40 H ILE 40 -1.152 -8.851 7.998 270 HA ILE 40 HA ILE 40 -1.011 -10.141 5.343 271 HB ILE 40 HB ILE 40 -1.376 -12.226 6.533 272 HG12 ILE 40 HG13 ILE 40 -1.756 -10.476 8.988 273 HG13 ILE 40 HG12 ILE 40 -3.026 -11.396 8.182 274 HG21 ILE 40 HG21 ILE 40 0.903 -11.225 6.533 275 HG22 ILE 40 HG22 ILE 40 0.607 -12.188 7.980 276 HG23 ILE 40 HG23 ILE 40 0.533 -10.427 8.062 277 HD11 ILE 40 HD11 ILE 40 -2.433 -12.906 9.831 278 HD12 ILE 40 HD12 ILE 40 -0.750 -12.378 9.854 279 HD13 ILE 40 HD13 ILE 40 -1.334 -13.408 8.547 280 H LEU 41 H LEU 41 -2.782 -11.071 4.312 281 HA LEU 41 HA LEU 41 -5.360 -9.818 4.874 282 HB2 LEU 41 HB3 LEU 41 -4.569 -11.875 2.792 283 HB3 LEU 41 HB2 LEU 41 -6.075 -10.970 2.827 284 HG LEU 41 HG LEU 41 -3.304 -9.784 2.545 285 HD11 LEU 41 HD11 LEU 41 -5.231 -10.808 0.644 286 HD12 LEU 41 HD12 LEU 41 -3.611 -10.174 0.346 287 HD13 LEU 41 HD13 LEU 41 -4.991 -9.079 0.399 288 HD21 LEU 41 HD21 LEU 41 -4.953 -7.774 1.923 289 HD22 LEU 41 HD22 LEU 41 -4.432 -8.058 3.583 290 HD23 LEU 41 HD23 LEU 41 -6.012 -8.629 3.043 291 H GLY 42 H GLY 42 -7.320 -11.077 5.293 292 HA2 GLY 42 HA3 GLY 42 -7.198 -12.979 7.317 293 HA3 GLY 42 HA2 GLY 42 -8.528 -12.924 6.153 294 H THR 43 H THR 43 -6.363 -13.327 4.016 295 HA THR 43 HA THR 43 -6.090 -16.279 4.349 296 HB THR 43 HB THR 43 -6.420 -16.541 1.996 297 HG1 THR 43 HG1 THR 43 -6.854 -14.006 1.246 298 HG21 THR 43 HG21 THR 43 -8.384 -15.570 3.608 299 HG22 THR 43 HG22 THR 43 -8.648 -16.062 1.935 300 HG23 THR 43 HG23 THR 43 -8.394 -14.361 2.323 301 H TYR 44 H TYR 44 -4.212 -17.081 2.830 302 HA TYR 44 HA TYR 44 -1.760 -16.145 3.758 303 HB2 TYR 44 HB3 TYR 44 -0.727 -17.395 2.011 304 HB3 TYR 44 HB2 TYR 44 -2.238 -18.236 2.354 305 HD1 TYR 44 HD1 TYR 44 -4.201 -17.962 0.850 306 HD2 TYR 44 HD2 TYR 44 -0.368 -16.262 -0.084 307 HE1 TYR 44 HE1 TYR 44 -4.916 -17.643 -1.503 308 HE2 TYR 44 HE2 TYR 44 -1.084 -15.943 -2.438 309 HH TYR 44 HH TYR 44 -4.146 -15.940 -3.442 310 H GLY 45 H GLY 45 -3.876 -14.446 1.747 311 HA2 GLY 45 HA3 GLY 45 -2.077 -13.053 0.024 312 HA3 GLY 45 HA2 GLY 45 -3.646 -12.445 0.548 313 H ASN 46 H ASN 46 -1.431 -10.735 0.273 314 HA ASN 46 HA ASN 46 -1.093 -9.857 3.085 315 HB2 ASN 46 HB3 ASN 46 0.948 -11.156 2.287 316 HB3 ASN 46 HB2 ASN 46 1.209 -9.855 1.122 317 HD21 ASN 46 HD22 ASN 46 3.043 -10.456 3.312 318 HD22 ASN 46 HD21 ASN 46 3.051 -9.111 4.347 319 H GLY 47 H GLY 47 -0.631 -7.541 3.257 320 HA2 GLY 47 HA3 GLY 47 -0.965 -5.990 0.744 321 HA3 GLY 47 HA2 GLY 47 -2.091 -5.696 2.069 322 H CYS 48 H CYS 48 -0.716 -3.529 1.348 323 HA CYS 48 HA CYS 48 1.606 -3.320 3.199 324 HB2 CYS 48 HB3 CYS 48 1.013 -2.178 0.581 325 HB3 CYS 48 HB2 CYS 48 1.498 -0.952 1.751 326 H TRP 49 H TRP 49 1.732 -1.358 4.539 327 HA TRP 49 HA TRP 49 -0.931 -0.119 5.083 328 HB2 TRP 49 HB3 TRP 49 0.027 -1.987 6.709 329 HB3 TRP 49 HB2 TRP 49 1.008 -0.651 7.307 330 HD1 TRP 49 HD1 TRP 49 -0.282 1.444 8.361 331 HE1 TRP 49 HE1 TRP 49 -2.607 1.625 9.461 332 HE3 TRP 49 HE3 TRP 49 -2.369 -2.900 6.697 333 HZ2 TRP 49 HZ2 TRP 49 -5.038 0.116 9.609 334 HZ3 TRP 49 HZ3 TRP 49 -4.686 -3.507 7.325 335 HH2 TRP 49 HH2 TRP 49 -6.022 -2.008 8.781 336 H CYS 50 H CYS 50 -0.839 2.127 5.519 337 HA CYS 50 HA CYS 50 1.884 3.327 5.808 338 HB2 CYS 50 HB3 CYS 50 -0.250 4.174 3.840 339 HB3 CYS 50 HB2 CYS 50 1.089 5.213 4.307 340 H ILE 51 H ILE 51 1.973 4.833 7.403 341 HA ILE 51 HA ILE 51 -0.599 5.991 8.381 342 HB ILE 51 HB ILE 51 1.779 5.102 10.036 343 HG12 ILE 51 HG13 ILE 51 -0.889 4.037 10.627 344 HG13 ILE 51 HG12 ILE 51 -0.316 3.605 9.017 345 HG21 ILE 51 HG21 ILE 51 -0.621 6.783 10.601 346 HG22 ILE 51 HG22 ILE 51 0.998 6.868 11.296 347 HG23 ILE 51 HG23 ILE 51 -0.132 5.628 11.839 348 HD11 ILE 51 HD11 ILE 51 1.381 3.276 11.498 349 HD12 ILE 51 HD12 ILE 51 1.673 2.600 9.895 350 HD13 ILE 51 HD13 ILE 51 0.340 1.995 10.879 351 H ALA 52 H ALA 52 -0.601 8.191 8.563 352 HA ALA 52 HA ALA 52 1.663 9.793 9.216 353 HB1 ALA 52 HB1 ALA 52 1.930 8.856 6.660 354 HB2 ALA 52 HB2 ALA 52 2.615 10.377 7.228 355 HB3 ALA 52 HB3 ALA 52 1.070 10.368 6.379 356 H LEU 53 H LEU 53 -1.306 9.701 7.258 357 HA LEU 53 HA LEU 53 -2.191 12.173 8.686 358 HB2 LEU 53 HB3 LEU 53 -1.430 12.687 6.348 359 HB3 LEU 53 HB2 LEU 53 -2.675 11.592 5.750 360 HG LEU 53 HG LEU 53 -4.163 13.140 7.414 361 HD11 LEU 53 HD11 LEU 53 -3.448 15.367 7.469 362 HD12 LEU 53 HD12 LEU 53 -2.335 15.146 6.119 363 HD13 LEU 53 HD13 LEU 53 -1.936 14.493 7.708 364 HD21 LEU 53 HD21 LEU 53 -4.921 14.288 5.389 365 HD22 LEU 53 HD22 LEU 53 -4.585 12.599 5.013 366 HD23 LEU 53 HD23 LEU 53 -3.430 13.850 4.555 367 HA PRO 54 HA PRO 54 -5.210 8.615 9.065 368 HB2 PRO 54 HB2 PRO 54 -5.586 9.864 11.718 369 HB3 PRO 54 HB3 PRO 54 -5.271 8.171 11.302 370 HG2 PRO 54 HG3 PRO 54 -3.418 9.746 12.436 371 HG3 PRO 54 HG2 PRO 54 -3.008 8.449 11.301 372 HD2 PRO 54 HD3 PRO 54 -3.061 11.404 10.847 373 HD3 PRO 54 HD2 PRO 54 -1.995 10.170 10.141 374 H ASP 55 H ASP 55 -7.574 8.754 9.586 375 HA ASP 55 HA ASP 55 -9.665 9.744 9.245 376 HB2 ASP 55 HB3 ASP 55 -8.209 12.111 10.460 377 HB3 ASP 55 HB2 ASP 55 -9.952 12.024 10.217 378 H ASN 56 H ASN 56 -8.112 9.637 6.945 379 HA ASN 56 HA ASN 56 -9.130 12.015 5.519 380 HB2 ASN 56 HB3 ASN 56 -6.754 12.507 6.134 381 HB3 ASN 56 HB2 ASN 56 -6.266 11.068 5.238 382 HD21 ASN 56 HD22 ASN 56 -8.094 14.136 4.768 383 HD22 ASN 56 HD21 ASN 56 -7.655 14.318 3.139 384 H VAL 57 H VAL 57 -9.225 11.636 3.164 385 HA VAL 57 HA VAL 57 -10.415 9.342 2.291 386 HB VAL 57 HB VAL 57 -8.287 10.550 0.540 387 HG11 VAL 57 HG11 VAL 57 -10.124 10.314 -1.139 388 HG12 VAL 57 HG12 VAL 57 -11.136 9.600 0.116 389 HG13 VAL 57 HG13 VAL 57 -9.667 8.776 -0.407 390 HG21 VAL 57 HG21 VAL 57 -10.619 11.890 1.820 391 HG22 VAL 57 HG22 VAL 57 -10.373 12.202 0.101 392 HG23 VAL 57 HG23 VAL 57 -9.096 12.579 1.257 393 HA PRO 58 HA PRO 58 -6.830 6.602 2.995 394 HB2 PRO 58 HB2 PRO 58 -8.191 4.426 3.818 395 HB3 PRO 58 HB3 PRO 58 -7.934 5.827 4.876 396 HG2 PRO 58 HG3 PRO 58 -10.373 4.979 3.428 397 HG3 PRO 58 HG2 PRO 58 -10.207 5.798 4.987 398 HD2 PRO 58 HD3 PRO 58 -10.817 7.031 2.518 399 HD3 PRO 58 HD2 PRO 58 -10.347 7.857 4.017 400 H ILE 59 H ILE 59 -9.710 4.825 1.813 401 HA ILE 59 HA ILE 59 -8.090 3.993 -0.553 402 HB ILE 59 HB ILE 59 -10.209 2.388 0.903 403 HG12 ILE 59 HG13 ILE 59 -7.200 1.997 0.799 404 HG13 ILE 59 HG12 ILE 59 -8.067 2.689 2.173 405 HG21 ILE 59 HG21 ILE 59 -8.544 0.791 -0.736 406 HG22 ILE 59 HG22 ILE 59 -9.016 2.181 -1.714 407 HG23 ILE 59 HG23 ILE 59 -10.251 1.159 -0.981 408 HD11 ILE 59 HD11 ILE 59 -9.297 0.203 1.317 409 HD12 ILE 59 HD12 ILE 59 -8.675 0.647 2.906 410 HD13 ILE 59 HD13 ILE 59 -7.591 -0.036 1.695 411 H ARG 60 H ARG 60 -9.029 4.353 -2.518 412 HA ARG 60 HA ARG 60 -11.941 4.965 -2.580 413 HB2 ARG 60 HB3 ARG 60 -10.702 7.088 -2.706 414 HB3 ARG 60 HB2 ARG 60 -9.735 6.458 -4.036 415 HG2 ARG 60 HG3 ARG 60 -11.445 7.833 -5.013 416 HG3 ARG 60 HG2 ARG 60 -11.902 6.164 -5.336 417 HD2 ARG 60 HD3 ARG 60 -13.521 6.188 -3.541 418 HD3 ARG 60 HD2 ARG 60 -12.952 7.761 -2.983 419 HE ARG 60 HE ARG 60 -14.809 7.298 -5.158 420 HH11 ARG 60 HH22 ARG 60 -12.250 9.280 -3.971 421 HH12 ARG 60 HH21 ARG 60 -12.759 10.689 -4.840 422 HH21 ARG 60 HH11 ARG 60 -15.490 9.127 -6.299 423 HH22 ARG 60 HH12 ARG 60 -14.593 10.603 -6.158 424 H ILE 61 H ILE 61 -12.144 2.738 -3.300 425 HA ILE 61 HA ILE 61 -11.347 2.384 -6.163 426 HB ILE 61 HB ILE 61 -11.478 0.235 -4.038 427 HG12 ILE 61 HG13 ILE 61 -8.988 1.157 -5.458 428 HG13 ILE 61 HG12 ILE 61 -9.548 2.006 -4.017 429 HG21 ILE 61 HG21 ILE 61 -12.030 -0.495 -6.359 430 HG22 ILE 61 HG22 ILE 61 -10.527 -1.204 -5.771 431 HG23 ILE 61 HG23 ILE 61 -10.481 0.148 -6.902 432 HD11 ILE 61 HD11 ILE 61 -9.513 -0.098 -2.746 433 HD12 ILE 61 HD12 ILE 61 -7.927 0.231 -3.443 434 HD13 ILE 61 HD13 ILE 61 -8.986 -0.967 -4.186 435 HA PRO 62 HA PRO 62 -15.983 2.313 -5.822 436 HB2 PRO 62 HB2 PRO 62 -15.510 2.587 -8.756 437 HB3 PRO 62 HB3 PRO 62 -16.651 3.455 -7.712 438 HG2 PRO 62 HG3 PRO 62 -14.419 4.607 -8.599 439 HG3 PRO 62 HG2 PRO 62 -15.063 4.941 -6.982 440 HD2 PRO 62 HD3 PRO 62 -12.693 3.307 -7.761 441 HD3 PRO 62 HD2 PRO 62 -12.984 4.238 -6.275 442 H GLY 63 H GLY 63 -13.645 0.414 -7.559 443 HA2 GLY 63 HA3 GLY 63 -14.545 -2.092 -7.188 444 HA3 GLY 63 HA2 GLY 63 -15.653 -1.554 -8.449 445 H LYS 64 H LYS 64 -12.869 0.118 -8.980 446 HA LYS 64 HA LYS 64 -12.213 -1.248 -11.382 447 HB2 LYS 64 HB3 LYS 64 -10.489 0.572 -9.675 448 HB3 LYS 64 HB2 LYS 64 -10.121 0.098 -11.335 449 HG2 LYS 64 HG3 LYS 64 -12.363 1.054 -12.009 450 HG3 LYS 64 HG2 LYS 64 -12.503 1.704 -10.374 451 HD2 LYS 64 HD3 LYS 64 -10.200 2.287 -12.257 452 HD3 LYS 64 HD2 LYS 64 -11.573 3.362 -11.998 453 HE2 LYS 64 HE3 LYS 64 -10.931 3.093 -9.458 454 HE3 LYS 64 HE2 LYS 64 -9.357 2.636 -10.110 455 HZ1 LYS 64 HZ1 LYS 64 -9.195 4.695 -11.250 456 HZ2 LYS 64 HZ2 LYS 64 -9.626 5.050 -9.649 457 HZ3 LYS 64 HZ3 LYS 64 -10.799 5.113 -10.877 458 H CYS 65 H CYS 65 -10.961 -1.606 -8.095 459 HA CYS 65 HA CYS 65 -9.088 -3.712 -9.052 460 HB2 CYS 65 HB3 CYS 65 -8.781 -1.730 -7.151 461 HB3 CYS 65 HB2 CYS 65 -9.146 -3.148 -6.170 462 H HIS 66 H HIS 66 -9.560 -5.842 -8.735 463 HA HIS 66 HA HIS 66 -11.990 -6.480 -7.124 464 HB2 HIS 66 HB3 HIS 66 -10.563 -8.052 -9.292 465 HB3 HIS 66 HB2 HIS 66 -11.968 -8.632 -8.398 466 HD1 HIS 66 HD1 HIS 66 -10.941 -6.203 -11.055 467 HD2 HIS 66 HD2 HIS 66 -14.425 -7.298 -9.039 468 HE1 HIS 66 HE1 HIS 66 -12.865 -5.146 -12.322 469 HE2 HIS 66 HE2 HIS 66 -14.990 -5.806 -11.102 Start of MODEL 5 1 H1 ALA 1 H1 ALA 1 -3.035 10.950 5.550 2 H2 ALA 1 H2 ALA 1 -4.350 11.707 4.784 3 H3 ALA 1 H3 ALA 1 -3.548 10.417 4.024 4 HA ALA 1 HA ALA 1 -5.203 10.278 6.485 5 HB1 ALA 1 HB1 ALA 1 -5.533 9.007 3.749 6 HB2 ALA 1 HB2 ALA 1 -6.431 10.412 4.320 7 HB3 ALA 1 HB3 ALA 1 -6.642 8.850 5.112 8 H ARG 2 H ARG 2 -5.729 7.574 6.296 9 HA ARG 2 HA ARG 2 -3.020 6.313 6.449 10 HB2 ARG 2 HB3 ARG 2 -3.928 6.776 8.719 11 HB3 ARG 2 HB2 ARG 2 -5.355 5.819 8.320 12 HG2 ARG 2 HG3 ARG 2 -3.861 3.858 7.878 13 HG3 ARG 2 HG2 ARG 2 -2.493 4.823 8.427 14 HD2 ARG 2 HD3 ARG 2 -3.701 5.170 10.603 15 HD3 ARG 2 HD2 ARG 2 -4.924 4.029 10.042 16 HE ARG 2 HE ARG 2 -2.195 2.978 9.941 17 HH11 ARG 2 HH22 ARG 2 -5.079 3.469 11.763 18 HH12 ARG 2 HH21 ARG 2 -4.783 2.144 12.840 19 HH21 ARG 2 HH11 ARG 2 -1.790 1.247 11.336 20 HH22 ARG 2 HH12 ARG 2 -2.921 0.887 12.598 21 H ASP 3 H ASP 3 -2.867 4.382 5.389 22 HA ASP 3 HA ASP 3 -5.402 3.206 4.335 23 HB2 ASP 3 HB3 ASP 3 -2.580 3.018 3.256 24 HB3 ASP 3 HB2 ASP 3 -3.986 2.210 2.565 25 H ALA 4 H ALA 4 -5.611 0.889 4.448 26 HA ALA 4 HA ALA 4 -3.998 -0.269 6.646 27 HB1 ALA 4 HB1 ALA 4 -6.703 -0.841 5.492 28 HB2 ALA 4 HB2 ALA 4 -6.238 -0.589 7.175 29 HB3 ALA 4 HB3 ALA 4 -5.856 -2.113 6.374 30 H TYR 5 H TYR 5 -5.505 -1.723 3.749 31 HA TYR 5 HA TYR 5 -3.097 -3.458 3.509 32 HB2 TYR 5 HB3 TYR 5 -5.647 -3.739 1.925 33 HB3 TYR 5 HB2 TYR 5 -4.465 -4.983 2.331 34 HD1 TYR 5 HD1 TYR 5 -4.312 -5.865 4.651 35 HD2 TYR 5 HD2 TYR 5 -7.352 -3.070 3.474 36 HE1 TYR 5 HE1 TYR 5 -5.601 -6.407 6.701 37 HE2 TYR 5 HE2 TYR 5 -8.645 -3.612 5.524 38 HH TYR 5 HH TYR 5 -8.051 -6.297 7.411 39 H ILE 6 H ILE 6 -4.266 -0.613 2.186 40 HA ILE 6 HA ILE 6 -3.050 -1.186 -0.475 41 HB ILE 6 HB ILE 6 -4.879 1.083 0.345 42 HG12 ILE 6 HG13 ILE 6 -5.471 -1.436 -1.241 43 HG13 ILE 6 HG12 ILE 6 -5.963 -1.161 0.431 44 HG21 ILE 6 HG21 ILE 6 -3.231 0.582 -1.970 45 HG22 ILE 6 HG22 ILE 6 -4.251 1.978 -1.621 46 HG23 ILE 6 HG23 ILE 6 -4.933 0.568 -2.432 47 HD11 ILE 6 HD11 ILE 6 -7.748 0.033 -0.241 48 HD12 ILE 6 HD12 ILE 6 -7.347 -0.381 -1.908 49 HD13 ILE 6 HD13 ILE 6 -6.716 1.102 -1.191 50 H ALA 7 H ALA 7 -1.314 0.009 -1.182 51 HA ALA 7 HA ALA 7 -0.248 2.069 0.703 52 HB1 ALA 7 HB1 ALA 7 0.975 -0.256 -0.512 53 HB2 ALA 7 HB2 ALA 7 1.627 0.820 0.722 54 HB3 ALA 7 HB3 ALA 7 1.831 1.210 -0.985 55 H LYS 8 H LYS 8 -1.994 2.020 -1.924 56 HA LYS 8 HA LYS 8 -0.446 4.181 -3.278 57 HB2 LYS 8 HB3 LYS 8 -2.439 2.827 -4.945 58 HB3 LYS 8 HB2 LYS 8 -0.762 3.220 -5.309 59 HG2 LYS 8 HG3 LYS 8 -1.646 0.881 -3.587 60 HG3 LYS 8 HG2 LYS 8 -1.164 0.764 -5.276 61 HD2 LYS 8 HD3 LYS 8 0.802 2.235 -3.719 62 HD3 LYS 8 HD2 LYS 8 0.539 0.616 -3.068 63 HE2 LYS 8 HE3 LYS 8 0.885 -0.338 -5.326 64 HE3 LYS 8 HE2 LYS 8 1.181 1.282 -5.957 65 HZ1 LYS 8 HZ1 LYS 8 3.301 0.770 -5.486 66 HZ2 LYS 8 HZ2 LYS 8 2.890 -0.424 -4.353 67 HZ3 LYS 8 HZ3 LYS 8 2.875 1.215 -3.902 68 HA PRO 9 HA PRO 9 -3.916 6.798 -2.550 69 HB2 PRO 9 HB2 PRO 9 -4.035 8.201 -4.939 70 HB3 PRO 9 HB3 PRO 9 -2.918 8.559 -3.609 71 HG2 PRO 9 HG3 PRO 9 -2.436 7.097 -6.146 72 HG3 PRO 9 HG2 PRO 9 -1.362 8.171 -5.234 73 HD2 PRO 9 HD3 PRO 9 -1.109 5.457 -5.191 74 HD3 PRO 9 HD2 PRO 9 -0.656 6.485 -3.814 75 H HIS 10 H HIS 10 -3.938 5.123 -5.688 76 HA HIS 10 HA HIS 10 -6.858 4.700 -5.323 77 HB2 HIS 10 HB3 HIS 10 -5.603 5.477 -7.970 78 HB3 HIS 10 HB2 HIS 10 -7.319 5.245 -7.638 79 HD1 HIS 10 HD1 HIS 10 -8.313 6.950 -5.720 80 HD2 HIS 10 HD2 HIS 10 -4.760 8.086 -7.587 81 HE1 HIS 10 HE1 HIS 10 -8.033 9.431 -5.284 82 HE2 HIS 10 HE2 HIS 10 -5.874 10.132 -6.415 83 H ASN 11 H ASN 11 -3.841 3.409 -5.848 84 HA ASN 11 HA ASN 11 -4.951 1.024 -7.272 85 HB2 ASN 11 HB3 ASN 11 -2.068 1.933 -7.000 86 HB3 ASN 11 HB2 ASN 11 -2.622 0.518 -7.897 87 HD21 ASN 11 HD22 ASN 11 -2.276 3.993 -8.009 88 HD22 ASN 11 HD21 ASN 11 -2.915 4.206 -9.567 89 H CYS 12 H CYS 12 -3.830 -1.075 -6.547 90 HA CYS 12 HA CYS 12 -3.517 -1.028 -3.568 91 HB2 CYS 12 HB3 CYS 12 -4.334 -3.482 -5.102 92 HB3 CYS 12 HB2 CYS 12 -4.670 -3.060 -3.424 93 H VAL 13 H VAL 13 -2.352 -3.275 -2.938 94 HA VAL 13 HA VAL 13 0.195 -3.255 -4.479 95 HB VAL 13 HB VAL 13 -0.414 -4.475 -1.767 96 HG11 VAL 13 HG11 VAL 13 2.332 -3.769 -2.224 97 HG12 VAL 13 HG12 VAL 13 1.773 -4.772 -3.563 98 HG13 VAL 13 HG13 VAL 13 1.649 -5.364 -1.906 99 HG21 VAL 13 HG21 VAL 13 0.086 -1.733 -2.613 100 HG22 VAL 13 HG22 VAL 13 1.323 -2.295 -1.489 101 HG23 VAL 13 HG23 VAL 13 -0.378 -2.341 -1.024 102 H TYR 14 H TYR 14 0.841 -5.049 -5.615 103 HA TYR 14 HA TYR 14 -1.066 -7.154 -6.127 104 HB2 TYR 14 HB3 TYR 14 0.569 -8.043 -7.627 105 HB3 TYR 14 HB2 TYR 14 0.731 -6.290 -7.721 106 HD1 TYR 14 HD2 TYR 14 2.575 -5.135 -6.486 107 HD2 TYR 14 HD1 TYR 14 2.332 -9.415 -6.750 108 HE1 TYR 14 HE2 TYR 14 4.951 -5.311 -5.797 109 HE2 TYR 14 HE1 TYR 14 4.709 -9.591 -6.062 110 HH TYR 14 HH TYR 14 6.735 -6.727 -5.701 111 H GLU 15 H GLU 15 1.962 -7.009 -4.262 112 HA GLU 15 HA GLU 15 1.079 -8.967 -2.363 113 HB2 GLU 15 HB3 GLU 15 1.487 -10.445 -4.389 114 HB3 GLU 15 HB2 GLU 15 3.186 -9.983 -4.288 115 HG2 GLU 15 HG3 GLU 15 3.246 -10.823 -1.945 116 HG3 GLU 15 HG2 GLU 15 1.579 -11.372 -2.127 117 H CYS 16 H CYS 16 1.997 -7.610 -0.803 118 HA CYS 16 HA CYS 16 4.631 -6.464 -1.100 119 HB2 CYS 16 HB3 CYS 16 3.539 -5.252 0.502 120 HB3 CYS 16 HB2 CYS 16 2.590 -6.633 1.050 121 H PHE 17 H PHE 17 6.274 -7.935 -1.396 122 HA PHE 17 HA PHE 17 6.500 -10.538 -0.459 123 HB2 PHE 17 HB3 PHE 17 8.278 -10.005 -1.816 124 HB3 PHE 17 HB2 PHE 17 8.449 -8.390 -1.134 125 HD1 PHE 17 HD2 PHE 17 9.155 -11.990 -0.583 126 HD2 PHE 17 HD1 PHE 17 9.891 -7.971 0.739 127 HE1 PHE 17 HE2 PHE 17 11.002 -12.803 0.860 128 HE2 PHE 17 HE1 PHE 17 11.737 -8.782 2.182 129 HZ PHE 17 HZ PHE 17 12.294 -11.199 2.242 130 H ASP 18 H ASP 18 7.403 -11.476 1.477 131 HA ASP 18 HA ASP 18 6.686 -10.046 3.885 132 HB2 ASP 18 HB3 ASP 18 6.544 -12.530 3.635 133 HB3 ASP 18 HB2 ASP 18 8.308 -12.594 3.622 134 H ALA 19 H ALA 19 7.912 -8.454 4.730 135 HA ALA 19 HA ALA 19 10.827 -8.903 5.014 136 HB1 ALA 19 HB1 ALA 19 10.107 -6.148 4.213 137 HB2 ALA 19 HB2 ALA 19 9.952 -7.357 2.939 138 HB3 ALA 19 HB3 ALA 19 11.500 -7.126 3.750 139 H PHE 20 H PHE 20 11.719 -7.715 6.794 140 HA PHE 20 HA PHE 20 9.963 -7.260 8.984 141 HB2 PHE 20 HB3 PHE 20 12.771 -6.227 8.482 142 HB3 PHE 20 HB2 PHE 20 11.934 -6.116 10.032 143 HD1 PHE 20 HD2 PHE 20 11.300 -8.187 11.268 144 HD2 PHE 20 HD1 PHE 20 13.690 -8.308 7.701 145 HE1 PHE 20 HE2 PHE 20 11.994 -10.505 11.812 146 HE2 PHE 20 HE1 PHE 20 14.384 -10.626 8.245 147 HZ PHE 20 HZ PHE 20 13.535 -11.725 10.300 148 H SER 21 H SER 21 11.380 -5.014 6.626 149 HA SER 21 HA SER 21 9.250 -3.204 6.570 150 HB2 SER 21 HB3 SER 21 10.981 -2.925 8.935 151 HB3 SER 21 HB2 SER 21 10.736 -1.427 8.043 152 HG SER 21 HG SER 21 9.127 -2.165 9.745 153 H SER 22 H SER 22 10.291 -3.508 4.395 154 HA SER 22 HA SER 22 12.150 -1.291 3.878 155 HB2 SER 22 HB3 SER 22 13.030 -4.060 4.012 156 HB3 SER 22 HB2 SER 22 13.319 -3.370 2.418 157 HG SER 22 HG SER 22 14.767 -2.082 3.252 158 H TYR 23 H TYR 23 11.119 -4.249 2.126 159 HA TYR 23 HA TYR 23 10.767 -2.951 -0.368 160 HB2 TYR 23 HB3 TYR 23 10.856 -5.408 -0.104 161 HB3 TYR 23 HB2 TYR 23 9.286 -5.370 0.700 162 HD1 TYR 23 HD2 TYR 23 11.057 -4.943 -2.504 163 HD2 TYR 23 HD1 TYR 23 7.241 -4.898 -0.532 164 HE1 TYR 23 HE2 TYR 23 9.918 -4.996 -4.708 165 HE2 TYR 23 HE1 TYR 23 6.102 -4.953 -2.736 166 HH TYR 23 HH TYR 23 6.598 -5.656 -5.044 167 H CYS 24 H CYS 24 8.301 -3.753 2.092 168 HA CYS 24 HA CYS 24 6.182 -2.396 0.683 169 HB2 CYS 24 HB3 CYS 24 5.689 -4.113 2.353 170 HB3 CYS 24 HB2 CYS 24 6.435 -3.131 3.614 171 H ASN 25 H ASN 25 8.307 -1.461 3.376 172 HA ASN 25 HA ASN 25 7.178 1.104 3.844 173 HB2 ASN 25 HB3 ASN 25 10.073 0.237 4.115 174 HB3 ASN 25 HB2 ASN 25 9.355 1.665 4.862 175 HD21 ASN 25 HD22 ASN 25 7.140 -0.946 4.704 176 HD22 ASN 25 HD21 ASN 25 7.308 -1.488 6.304 177 H GLY 26 H GLY 26 9.636 0.016 1.534 178 HA2 GLY 26 HA3 GLY 26 10.357 2.606 0.555 179 HA3 GLY 26 HA2 GLY 26 10.536 1.099 -0.347 180 H VAL 27 H VAL 27 7.870 0.275 -0.484 181 HA VAL 27 HA VAL 27 6.894 1.859 -2.671 182 HB VAL 27 HB VAL 27 5.521 -0.249 -0.979 183 HG11 VAL 27 HG11 VAL 27 3.958 -0.397 -2.934 184 HG12 VAL 27 HG12 VAL 27 4.715 1.052 -3.596 185 HG13 VAL 27 HG13 VAL 27 3.843 1.133 -2.066 186 HG21 VAL 27 HG21 VAL 27 6.863 -1.645 -2.140 187 HG22 VAL 27 HG22 VAL 27 7.491 -0.314 -3.111 188 HG23 VAL 27 HG23 VAL 27 6.014 -1.143 -3.601 189 H CYS 28 H CYS 28 5.954 1.603 0.740 190 HA CYS 28 HA CYS 28 3.706 3.356 0.626 191 HB2 CYS 28 HB3 CYS 28 4.304 1.859 2.558 192 HB3 CYS 28 HB2 CYS 28 5.607 2.977 2.958 193 H THR 29 H THR 29 7.167 3.973 0.958 194 HA THR 29 HA THR 29 7.095 6.681 1.746 195 HB THR 29 HB THR 29 9.033 5.442 -0.227 196 HG1 THR 29 HG1 THR 29 8.684 5.223 2.526 197 HG21 THR 29 HG21 THR 29 9.141 7.909 -0.025 198 HG22 THR 29 HG22 THR 29 10.583 7.137 0.638 199 HG23 THR 29 HG23 THR 29 9.330 7.746 1.721 200 H LYS 30 H LYS 30 6.845 5.282 -1.519 201 HA LYS 30 HA LYS 30 6.785 7.750 -2.943 202 HB2 LYS 30 HB3 LYS 30 5.602 5.029 -3.522 203 HB3 LYS 30 HB2 LYS 30 5.416 6.379 -4.640 204 HG2 LYS 30 HG3 LYS 30 7.355 5.203 -5.377 205 HG3 LYS 30 HG2 LYS 30 7.959 6.631 -4.540 206 HD2 LYS 30 HD3 LYS 30 8.505 5.376 -2.584 207 HD3 LYS 30 HD2 LYS 30 7.596 3.973 -3.148 208 HE2 LYS 30 HE3 LYS 30 9.355 3.211 -4.333 209 HE3 LYS 30 HE2 LYS 30 9.603 4.785 -5.089 210 HZ1 LYS 30 HZ1 LYS 30 11.319 3.704 -3.381 211 HZ2 LYS 30 HZ2 LYS 30 10.354 4.573 -2.290 212 HZ3 LYS 30 HZ3 LYS 30 11.130 5.382 -3.567 213 H ASN 31 H ASN 31 4.256 5.919 -1.295 214 HA ASN 31 HA ASN 31 1.998 7.382 -2.196 215 HB2 ASN 31 HB3 ASN 31 2.030 5.266 -0.751 216 HB3 ASN 31 HB2 ASN 31 2.337 6.332 0.622 217 HD21 ASN 31 HD22 ASN 31 0.463 6.995 1.669 218 HD22 ASN 31 HD21 ASN 31 -1.063 7.146 0.942 219 H GLY 32 H GLY 32 4.474 8.142 0.162 220 HA2 GLY 32 HA3 GLY 32 4.982 10.472 0.693 221 HA3 GLY 32 HA2 GLY 32 3.278 10.858 0.441 222 H ALA 33 H ALA 33 3.218 8.005 2.021 223 HA ALA 33 HA ALA 33 2.347 9.169 4.506 224 HB1 ALA 33 HB1 ALA 33 2.053 6.712 3.298 225 HB2 ALA 33 HB2 ALA 33 1.608 7.071 4.966 226 HB3 ALA 33 HB3 ALA 33 3.176 6.347 4.608 227 H LYS 34 H LYS 34 3.425 9.205 6.526 228 HA LYS 34 HA LYS 34 6.212 9.722 6.516 229 HB2 LYS 34 HB3 LYS 34 4.622 10.412 8.318 230 HB3 LYS 34 HB2 LYS 34 4.537 8.732 8.843 231 HG2 LYS 34 HG3 LYS 34 7.266 9.189 8.714 232 HG3 LYS 34 HG2 LYS 34 6.635 10.725 9.311 233 HD2 LYS 34 HD3 LYS 34 6.044 7.991 10.483 234 HD3 LYS 34 HD2 LYS 34 7.106 9.212 11.190 235 HE2 LYS 34 HE3 LYS 34 4.884 10.707 10.868 236 HE3 LYS 34 HE2 LYS 34 4.134 9.124 11.075 237 HZ1 LYS 34 HZ1 LYS 34 6.259 10.010 12.913 238 HZ2 LYS 34 HZ2 LYS 34 5.022 8.879 13.174 239 HZ3 LYS 34 HZ3 LYS 34 4.660 10.539 13.141 240 H SER 35 H SER 35 4.503 6.800 7.686 241 HA SER 35 HA SER 35 6.850 5.187 6.869 242 HB2 SER 35 HB3 SER 35 7.026 4.088 9.018 243 HB3 SER 35 HB2 SER 35 7.126 5.825 9.296 244 HG SER 35 HG SER 35 5.544 5.422 10.634 245 H GLY 36 H GLY 36 6.293 2.844 6.803 246 HA2 GLY 36 HA3 GLY 36 3.387 2.286 6.897 247 HA3 GLY 36 HA2 GLY 36 4.217 2.018 5.366 248 H TYR 37 H TYR 37 2.894 0.066 7.153 249 HA TYR 37 HA TYR 37 5.244 -1.727 7.628 250 HB2 TYR 37 HB3 TYR 37 2.655 -1.648 9.211 251 HB3 TYR 37 HB2 TYR 37 4.013 -2.735 9.498 252 HD1 TYR 37 HD2 TYR 37 6.289 -1.710 10.067 253 HD2 TYR 37 HD1 TYR 37 2.619 0.518 10.152 254 HE1 TYR 37 HE2 TYR 37 7.367 0.010 11.493 255 HE2 TYR 37 HE1 TYR 37 3.694 2.237 11.577 256 HH TYR 37 HH TYR 37 5.849 2.101 13.311 257 H CYS 38 H CYS 38 4.855 -3.971 7.077 258 HA CYS 38 HA CYS 38 2.632 -4.277 5.138 259 HB2 CYS 38 HB3 CYS 38 4.954 -4.768 4.394 260 HB3 CYS 38 HB2 CYS 38 5.027 -6.068 5.581 261 H GLN 39 H GLN 39 0.873 -5.378 5.730 262 HA GLN 39 HA GLN 39 1.127 -7.402 7.918 263 HB2 GLN 39 HB3 GLN 39 -1.197 -5.565 7.273 264 HB3 GLN 39 HB2 GLN 39 -1.254 -6.868 8.461 265 HG2 GLN 39 HG3 GLN 39 0.628 -5.810 9.685 266 HG3 GLN 39 HG2 GLN 39 0.620 -4.485 8.520 267 HE21 GLN 39 HE22 GLN 39 -0.146 -4.710 11.543 268 HE22 GLN 39 HE21 GLN 39 -1.655 -3.937 11.616 269 H ILE 40 H ILE 40 -1.360 -8.589 7.657 270 HA ILE 40 HA ILE 40 -1.214 -9.699 4.883 271 HB ILE 40 HB ILE 40 -1.855 -11.833 5.771 272 HG12 ILE 40 HG13 ILE 40 -2.241 -10.378 8.410 273 HG13 ILE 40 HG12 ILE 40 -3.519 -11.075 7.415 274 HG21 ILE 40 HG21 ILE 40 0.123 -10.590 7.703 275 HG22 ILE 40 HG22 ILE 40 0.528 -11.129 6.073 276 HG23 ILE 40 HG23 ILE 40 -0.004 -12.298 7.283 277 HD11 ILE 40 HD11 ILE 40 -1.542 -12.432 9.172 278 HD12 ILE 40 HD12 ILE 40 -1.952 -13.246 7.663 279 HD13 ILE 40 HD13 ILE 40 -3.218 -12.855 8.825 280 H LEU 41 H LEU 41 -3.249 -10.352 3.928 281 HA LEU 41 HA LEU 41 -5.356 -8.469 4.244 282 HB2 LEU 41 HB3 LEU 41 -4.992 -11.045 2.798 283 HB3 LEU 41 HB2 LEU 41 -6.651 -10.513 3.063 284 HG LEU 41 HG LEU 41 -5.581 -9.715 0.900 285 HD11 LEU 41 HD11 LEU 41 -7.250 -8.219 1.088 286 HD12 LEU 41 HD12 LEU 41 -6.151 -7.152 1.962 287 HD13 LEU 41 HD13 LEU 41 -7.161 -8.297 2.847 288 HD21 LEU 41 HD21 LEU 41 -4.200 -7.600 2.493 289 HD22 LEU 41 HD22 LEU 41 -3.804 -8.248 0.903 290 HD23 LEU 41 HD23 LEU 41 -3.405 -9.166 2.352 291 H GLY 42 H GLY 42 -4.622 -11.419 5.910 292 HA2 GLY 42 HA3 GLY 42 -5.624 -11.887 8.090 293 HA3 GLY 42 HA2 GLY 42 -7.091 -11.067 7.544 294 H THR 43 H THR 43 -6.030 -12.773 4.970 295 HA THR 43 HA THR 43 -7.084 -15.410 5.711 296 HB THR 43 HB THR 43 -8.743 -15.265 3.746 297 HG1 THR 43 HG1 THR 43 -8.200 -12.530 4.242 298 HG21 THR 43 HG21 THR 43 -10.493 -14.441 5.170 299 HG22 THR 43 HG22 THR 43 -9.350 -13.484 6.115 300 HG23 THR 43 HG23 THR 43 -9.319 -15.246 6.212 301 H TYR 44 H TYR 44 -7.045 -13.860 2.530 302 HA TYR 44 HA TYR 44 -4.669 -15.538 1.822 303 HB2 TYR 44 HB3 TYR 44 -7.061 -14.896 0.070 304 HB3 TYR 44 HB2 TYR 44 -5.651 -15.838 -0.414 305 HD1 TYR 44 HD2 TYR 44 -5.149 -18.013 0.762 306 HD2 TYR 44 HD1 TYR 44 -8.828 -15.873 1.339 307 HE1 TYR 44 HE2 TYR 44 -6.190 -20.056 1.706 308 HE2 TYR 44 HE1 TYR 44 -9.869 -17.916 2.284 309 HH TYR 44 HH TYR 44 -9.473 -19.994 3.045 310 H GLY 45 H GLY 45 -3.098 -14.510 0.566 311 HA2 GLY 45 HA3 GLY 45 -2.212 -12.776 -0.828 312 HA3 GLY 45 HA2 GLY 45 -3.681 -11.840 -0.560 313 H ASN 46 H ASN 46 -1.696 -10.255 -0.293 314 HA ASN 46 HA ASN 46 -1.289 -9.931 2.626 315 HB2 ASN 46 HB3 ASN 46 0.750 -11.010 1.584 316 HB3 ASN 46 HB2 ASN 46 0.940 -9.550 0.613 317 HD21 ASN 46 HD22 ASN 46 0.705 -10.619 4.041 318 HD22 ASN 46 HD21 ASN 46 1.654 -9.354 4.656 319 H GLY 47 H GLY 47 -0.713 -7.624 3.158 320 HA2 GLY 47 HA3 GLY 47 -1.327 -5.720 0.948 321 HA3 GLY 47 HA2 GLY 47 -2.283 -5.637 2.425 322 H CYS 48 H CYS 48 -0.775 -3.451 1.556 323 HA CYS 48 HA CYS 48 1.556 -3.407 3.398 324 HB2 CYS 48 HB3 CYS 48 0.943 -2.099 0.828 325 HB3 CYS 48 HB2 CYS 48 1.685 -1.045 2.030 326 H TRP 49 H TRP 49 1.751 -1.582 4.864 327 HA TRP 49 HA TRP 49 -0.870 -0.271 5.454 328 HB2 TRP 49 HB3 TRP 49 0.298 -1.984 7.102 329 HB3 TRP 49 HB2 TRP 49 1.285 -0.583 7.515 330 HD1 TRP 49 HD1 TRP 49 0.116 1.436 8.741 331 HE1 TRP 49 HE1 TRP 49 -2.143 1.655 9.962 332 HE3 TRP 49 HE3 TRP 49 -2.187 -2.808 7.091 333 HZ2 TRP 49 HZ2 TRP 49 -4.609 0.216 10.203 334 HZ3 TRP 49 HZ3 TRP 49 -4.486 -3.362 7.826 335 HH2 TRP 49 HH2 TRP 49 -5.700 -1.858 9.381 336 H CYS 50 H CYS 50 -0.860 1.980 5.631 337 HA CYS 50 HA CYS 50 1.813 3.326 5.616 338 HB2 CYS 50 HB3 CYS 50 -0.513 3.793 3.756 339 HB3 CYS 50 HB2 CYS 50 0.673 5.058 4.071 340 H ILE 51 H ILE 51 1.954 5.018 7.018 341 HA ILE 51 HA ILE 51 -0.577 6.017 8.244 342 HB ILE 51 HB ILE 51 2.099 5.604 9.600 343 HG12 ILE 51 HG13 ILE 51 -0.290 4.192 10.584 344 HG13 ILE 51 HG12 ILE 51 0.202 3.703 8.963 345 HG21 ILE 51 HG21 ILE 51 -0.187 7.239 10.240 346 HG22 ILE 51 HG22 ILE 51 1.318 7.050 11.139 347 HG23 ILE 51 HG23 ILE 51 -0.031 5.953 11.437 348 HD11 ILE 51 HD11 ILE 51 2.329 3.001 9.682 349 HD12 ILE 51 HD12 ILE 51 1.271 2.478 10.993 350 HD13 ILE 51 HD13 ILE 51 2.236 3.945 11.170 351 H ALA 52 H ALA 52 -0.806 8.213 8.322 352 HA ALA 52 HA ALA 52 1.515 9.992 8.161 353 HB1 ALA 52 HB1 ALA 52 1.384 10.614 5.987 354 HB2 ALA 52 HB2 ALA 52 -0.378 10.685 6.036 355 HB3 ALA 52 HB3 ALA 52 0.435 9.146 5.752 356 H LEU 53 H LEU 53 -1.991 10.028 7.478 357 HA LEU 53 HA LEU 53 -2.272 12.123 9.594 358 HB2 LEU 53 HB3 LEU 53 -2.469 13.121 7.330 359 HB3 LEU 53 HB2 LEU 53 -3.767 11.990 6.958 360 HG LEU 53 HG LEU 53 -4.508 13.146 9.407 361 HD11 LEU 53 HD11 LEU 53 -2.763 14.878 8.974 362 HD12 LEU 53 HD12 LEU 53 -4.395 15.549 8.986 363 HD13 LEU 53 HD13 LEU 53 -3.567 15.269 7.453 364 HD21 LEU 53 HD21 LEU 53 -5.936 12.489 7.442 365 HD22 LEU 53 HD22 LEU 53 -5.393 13.951 6.619 366 HD23 LEU 53 HD23 LEU 53 -6.337 14.074 8.102 367 HA PRO 54 HA PRO 54 -4.734 8.297 10.629 368 HB2 PRO 54 HB2 PRO 54 -4.508 9.719 13.241 369 HB3 PRO 54 HB3 PRO 54 -4.294 7.999 12.869 370 HG2 PRO 54 HG3 PRO 54 -2.213 9.598 13.335 371 HG3 PRO 54 HG2 PRO 54 -2.136 8.281 12.152 372 HD2 PRO 54 HD3 PRO 54 -2.309 11.219 11.684 373 HD3 PRO 54 HD2 PRO 54 -1.564 9.957 10.677 374 H ASP 55 H ASP 55 -6.802 8.305 12.150 375 HA ASP 55 HA ASP 55 -9.022 9.014 12.369 376 HB2 ASP 55 HB3 ASP 55 -7.639 11.715 12.452 377 HB3 ASP 55 HB2 ASP 55 -9.332 11.443 12.863 378 H ASN 56 H ASN 56 -8.191 8.474 9.748 379 HA ASN 56 HA ASN 56 -10.046 10.227 8.266 380 HB2 ASN 56 HB3 ASN 56 -7.661 11.132 8.047 381 HB3 ASN 56 HB2 ASN 56 -7.295 9.656 7.152 382 HD21 ASN 56 HD22 ASN 56 -10.470 10.163 6.456 383 HD22 ASN 56 HD21 ASN 56 -10.322 11.118 5.061 384 H VAL 57 H VAL 57 -11.420 8.805 7.314 385 HA VAL 57 HA VAL 57 -10.276 6.263 6.237 386 HB VAL 57 HB VAL 57 -11.682 5.913 8.271 387 HG11 VAL 57 HG11 VAL 57 -14.190 6.459 6.845 388 HG12 VAL 57 HG12 VAL 57 -13.247 7.911 7.179 389 HG13 VAL 57 HG13 VAL 57 -13.733 6.851 8.502 390 HG21 VAL 57 HG21 VAL 57 -13.110 4.899 5.804 391 HG22 VAL 57 HG22 VAL 57 -12.915 4.088 7.357 392 HG23 VAL 57 HG23 VAL 57 -11.528 4.288 6.288 393 HA PRO 58 HA PRO 58 -12.467 8.587 2.869 394 HB2 PRO 58 HB2 PRO 58 -10.411 8.683 1.102 395 HB3 PRO 58 HB3 PRO 58 -10.597 9.871 2.407 396 HG2 PRO 58 HG3 PRO 58 -8.763 7.545 2.213 397 HG3 PRO 58 HG2 PRO 58 -8.498 9.139 2.936 398 HD2 PRO 58 HD3 PRO 58 -9.109 6.830 4.369 399 HD3 PRO 58 HD2 PRO 58 -9.332 8.487 4.967 400 H ILE 59 H ILE 59 -9.937 6.218 1.946 401 HA ILE 59 HA ILE 59 -10.071 4.486 0.347 402 HB ILE 59 HB ILE 59 -12.415 3.975 2.194 403 HG12 ILE 59 HG13 ILE 59 -9.672 2.694 2.030 404 HG13 ILE 59 HG12 ILE 59 -10.070 4.017 3.127 405 HG21 ILE 59 HG21 ILE 59 -11.520 2.580 -0.241 406 HG22 ILE 59 HG22 ILE 59 -13.049 2.453 0.630 407 HG23 ILE 59 HG23 ILE 59 -11.645 1.536 1.175 408 HD11 ILE 59 HD11 ILE 59 -11.281 2.672 4.515 409 HD12 ILE 59 HD12 ILE 59 -10.332 1.382 3.777 410 HD13 ILE 59 HD13 ILE 59 -11.953 1.736 3.179 411 H ARG 60 H ARG 60 -10.809 6.459 -1.135 412 HA ARG 60 HA ARG 60 -13.466 6.809 -1.996 413 HB2 ARG 60 HB3 ARG 60 -10.995 6.675 -3.758 414 HB3 ARG 60 HB2 ARG 60 -12.508 7.494 -4.146 415 HG2 ARG 60 HG3 ARG 60 -12.186 9.100 -2.391 416 HG3 ARG 60 HG2 ARG 60 -10.824 8.190 -1.731 417 HD2 ARG 60 HD3 ARG 60 -9.877 9.989 -3.002 418 HD3 ARG 60 HD2 ARG 60 -9.665 8.524 -3.962 419 HE ARG 60 HE ARG 60 -11.167 9.413 -5.558 420 HH11 ARG 60 HH22 ARG 60 -11.286 11.099 -2.554 421 HH12 ARG 60 HH21 ARG 60 -12.308 12.363 -3.151 422 HH21 ARG 60 HH11 ARG 60 -12.503 11.053 -6.356 423 HH22 ARG 60 HH12 ARG 60 -12.997 12.337 -5.303 424 H ILE 61 H ILE 61 -11.136 4.290 -2.680 425 HA ILE 61 HA ILE 61 -12.529 2.939 -4.766 426 HB ILE 61 HB ILE 61 -10.443 2.230 -2.751 427 HG12 ILE 61 HG13 ILE 61 -9.057 1.968 -4.699 428 HG13 ILE 61 HG12 ILE 61 -10.458 2.007 -5.769 429 HG21 ILE 61 HG21 ILE 61 -12.093 0.314 -4.352 430 HG22 ILE 61 HG22 ILE 61 -11.421 0.130 -2.734 431 HG23 ILE 61 HG23 ILE 61 -10.375 -0.019 -4.145 432 HD11 ILE 61 HD11 ILE 61 -9.073 4.181 -5.528 433 HD12 ILE 61 HD12 ILE 61 -9.825 4.321 -3.940 434 HD13 ILE 61 HD13 ILE 61 -10.825 4.314 -5.392 435 HA PRO 62 HA PRO 62 -15.786 1.310 -2.105 436 HB2 PRO 62 HB2 PRO 62 -17.106 -0.166 -3.950 437 HB3 PRO 62 HB3 PRO 62 -17.184 1.605 -3.915 438 HG2 PRO 62 HG3 PRO 62 -15.583 -0.182 -5.675 439 HG3 PRO 62 HG2 PRO 62 -16.447 1.314 -6.070 440 HD2 PRO 62 HD3 PRO 62 -13.729 1.195 -5.642 441 HD3 PRO 62 HD2 PRO 62 -14.706 2.657 -5.388 442 H GLY 63 H GLY 63 -13.121 -0.105 -2.386 443 HA2 GLY 63 HA3 GLY 63 -12.512 -2.128 -1.212 444 HA3 GLY 63 HA2 GLY 63 -14.105 -2.785 -1.585 445 H LYS 64 H LYS 64 -12.982 -1.296 -4.332 446 HA LYS 64 HA LYS 64 -11.692 -3.794 -5.329 447 HB2 LYS 64 HB3 LYS 64 -13.688 -2.026 -6.774 448 HB3 LYS 64 HB2 LYS 64 -12.825 -3.379 -7.505 449 HG2 LYS 64 HG3 LYS 64 -13.837 -4.922 -5.876 450 HG3 LYS 64 HG2 LYS 64 -14.686 -3.573 -5.119 451 HD2 LYS 64 HD3 LYS 64 -16.212 -4.699 -6.645 452 HD3 LYS 64 HD2 LYS 64 -15.811 -3.114 -7.307 453 HE2 LYS 64 HE3 LYS 64 -13.967 -5.264 -8.125 454 HE3 LYS 64 HE2 LYS 64 -15.620 -5.470 -8.701 455 HZ1 LYS 64 HZ1 LYS 64 -14.295 -4.164 -10.244 456 HZ2 LYS 64 HZ2 LYS 64 -13.970 -3.023 -9.032 457 HZ3 LYS 64 HZ3 LYS 64 -15.559 -3.233 -9.595 458 H CYS 65 H CYS 65 -9.819 -3.452 -6.481 459 HA CYS 65 HA CYS 65 -8.496 -0.936 -6.354 460 HB2 CYS 65 HB3 CYS 65 -8.006 -3.263 -8.234 461 HB3 CYS 65 HB2 CYS 65 -6.877 -1.941 -7.934 462 H HIS 66 H HIS 66 -10.696 -2.285 -8.717 463 HA HIS 66 HA HIS 66 -10.181 0.035 -10.524 464 HB2 HIS 66 HB3 HIS 66 -11.765 -2.500 -11.043 465 HB3 HIS 66 HB2 HIS 66 -11.387 -1.249 -12.227 466 HD1 HIS 66 HD1 HIS 66 -8.676 -0.820 -12.536 467 HD2 HIS 66 HD2 HIS 66 -9.838 -4.483 -10.914 468 HE1 HIS 66 HE1 HIS 66 -6.691 -2.378 -12.783 469 HE2 HIS 66 HE2 HIS 66 -7.388 -4.609 -11.799 Start of MODEL 6 1 H1 ALA 1 H1 ALA 1 -6.244 9.846 1.941 2 H2 ALA 1 H2 ALA 1 -5.142 8.561 2.083 3 H3 ALA 1 H3 ALA 1 -4.616 10.162 2.297 4 HA ALA 1 HA ALA 1 -5.507 10.356 4.374 5 HB1 ALA 1 HB1 ALA 1 -7.355 8.049 3.693 6 HB2 ALA 1 HB2 ALA 1 -7.798 9.753 3.587 7 HB3 ALA 1 HB3 ALA 1 -7.411 9.038 5.152 8 H ARG 2 H ARG 2 -6.360 7.107 4.795 9 HA ARG 2 HA ARG 2 -3.544 6.388 5.512 10 HB2 ARG 2 HB3 ARG 2 -4.940 6.900 7.520 11 HB3 ARG 2 HB2 ARG 2 -6.058 5.626 7.030 12 HG2 ARG 2 HG3 ARG 2 -4.169 3.994 7.108 13 HG3 ARG 2 HG2 ARG 2 -3.129 5.279 7.723 14 HD2 ARG 2 HD3 ARG 2 -5.670 4.294 9.053 15 HD3 ARG 2 HD2 ARG 2 -4.029 3.906 9.569 16 HE ARG 2 HE ARG 2 -3.973 6.625 9.630 17 HH11 ARG 2 HH22 ARG 2 -6.259 4.283 10.718 18 HH12 ARG 2 HH21 ARG 2 -6.829 5.256 12.032 19 HH21 ARG 2 HH11 ARG 2 -4.706 7.908 11.340 20 HH22 ARG 2 HH12 ARG 2 -5.949 7.308 12.385 21 H ASP 3 H ASP 3 -2.884 4.427 4.691 22 HA ASP 3 HA ASP 3 -4.907 2.850 3.199 23 HB2 ASP 3 HB3 ASP 3 -1.880 2.706 3.205 24 HB3 ASP 3 HB2 ASP 3 -2.937 1.714 2.205 25 H ALA 4 H ALA 4 -5.460 0.779 3.816 26 HA ALA 4 HA ALA 4 -4.281 -0.175 6.371 27 HB1 ALA 4 HB1 ALA 4 -6.950 -0.331 5.119 28 HB2 ALA 4 HB2 ALA 4 -6.507 -0.291 6.826 29 HB3 ALA 4 HB3 ALA 4 -6.420 -1.806 5.928 30 H TYR 5 H TYR 5 -5.538 -1.635 3.354 31 HA TYR 5 HA TYR 5 -3.470 -3.776 3.677 32 HB2 TYR 5 HB3 TYR 5 -5.983 -3.922 2.001 33 HB3 TYR 5 HB2 TYR 5 -4.958 -5.256 2.535 34 HD1 TYR 5 HD1 TYR 5 -4.982 -6.011 4.879 35 HD2 TYR 5 HD2 TYR 5 -7.557 -2.853 3.510 36 HE1 TYR 5 HE1 TYR 5 -6.335 -6.218 6.947 37 HE2 TYR 5 HE2 TYR 5 -8.911 -3.064 5.578 38 HH TYR 5 HH TYR 5 -8.829 -3.905 7.751 39 H ILE 6 H ILE 6 -3.708 -0.988 2.070 40 HA ILE 6 HA ILE 6 -2.508 -2.131 -0.415 41 HB ILE 6 HB ILE 6 -3.497 -0.333 -1.698 42 HG12 ILE 6 HG13 ILE 6 -4.567 0.640 0.973 43 HG13 ILE 6 HG12 ILE 6 -3.354 1.450 -0.019 44 HG21 ILE 6 HG21 ILE 6 -5.732 -1.056 -1.655 45 HG22 ILE 6 HG22 ILE 6 -5.732 -1.258 0.097 46 HG23 ILE 6 HG23 ILE 6 -4.871 -2.410 -0.924 47 HD11 ILE 6 HD11 ILE 6 -6.283 1.048 -0.614 48 HD12 ILE 6 HD12 ILE 6 -5.126 1.430 -1.889 49 HD13 ILE 6 HD13 ILE 6 -5.374 2.558 -0.556 50 H ALA 7 H ALA 7 -0.983 -0.604 -1.503 51 HA ALA 7 HA ALA 7 0.319 1.266 0.421 52 HB1 ALA 7 HB1 ALA 7 2.317 0.183 -1.280 53 HB2 ALA 7 HB2 ALA 7 1.393 -1.179 -0.650 54 HB3 ALA 7 HB3 ALA 7 2.154 -0.040 0.461 55 H LYS 8 H LYS 8 -0.922 0.653 -2.683 56 HA LYS 8 HA LYS 8 0.555 2.945 -3.862 57 HB2 LYS 8 HB3 LYS 8 -1.370 1.498 -5.565 58 HB3 LYS 8 HB2 LYS 8 0.305 1.939 -5.891 59 HG2 LYS 8 HG3 LYS 8 -0.577 -0.369 -4.123 60 HG3 LYS 8 HG2 LYS 8 0.014 -0.520 -5.774 61 HD2 LYS 8 HD3 LYS 8 1.833 1.069 -4.151 62 HD3 LYS 8 HD2 LYS 8 1.579 -0.534 -3.460 63 HE2 LYS 8 HE3 LYS 8 2.245 -1.611 -5.495 64 HE3 LYS 8 HE2 LYS 8 2.216 -0.087 -6.384 65 HZ1 LYS 8 HZ1 LYS 8 4.000 0.705 -4.891 66 HZ2 LYS 8 HZ2 LYS 8 4.466 -0.618 -5.844 67 HZ3 LYS 8 HZ3 LYS 8 4.084 -0.848 -4.204 68 HA PRO 9 HA PRO 9 -2.895 5.645 -3.402 69 HB2 PRO 9 HB2 PRO 9 -2.811 7.019 -5.804 70 HB3 PRO 9 HB3 PRO 9 -1.775 7.361 -4.407 71 HG2 PRO 9 HG3 PRO 9 -1.170 5.847 -6.886 72 HG3 PRO 9 HG2 PRO 9 -0.131 6.913 -5.927 73 HD2 PRO 9 HD3 PRO 9 0.058 4.197 -5.816 74 HD3 PRO 9 HD2 PRO 9 0.432 5.240 -4.427 75 H HIS 10 H HIS 10 -2.765 3.861 -6.473 76 HA HIS 10 HA HIS 10 -5.742 3.703 -6.375 77 HB2 HIS 10 HB3 HIS 10 -4.097 4.067 -8.893 78 HB3 HIS 10 HB2 HIS 10 -5.855 3.965 -8.795 79 HD1 HIS 10 HD1 HIS 10 -6.957 5.915 -7.157 80 HD2 HIS 10 HD2 HIS 10 -3.167 6.664 -8.730 81 HE1 HIS 10 HE1 HIS 10 -6.579 8.413 -6.959 82 HE2 HIS 10 HE2 HIS 10 -4.276 8.880 -7.913 83 H ASN 11 H ASN 11 -2.959 1.999 -6.183 84 HA ASN 11 HA ASN 11 -4.255 -0.426 -7.357 85 HB2 ASN 11 HB3 ASN 11 -1.298 0.232 -7.466 86 HB3 ASN 11 HB2 ASN 11 -2.076 -1.201 -8.138 87 HD21 ASN 11 HD22 ASN 11 -1.548 2.252 -8.612 88 HD22 ASN 11 HD21 ASN 11 -2.251 2.335 -10.156 89 H CYS 12 H CYS 12 -3.217 -2.467 -6.425 90 HA CYS 12 HA CYS 12 -2.616 -2.024 -3.526 91 HB2 CYS 12 HB3 CYS 12 -3.849 -4.479 -4.808 92 HB3 CYS 12 HB2 CYS 12 -3.686 -4.152 -3.082 93 H VAL 13 H VAL 13 -1.489 -4.214 -2.675 94 HA VAL 13 HA VAL 13 0.927 -4.514 -4.377 95 HB VAL 13 HB VAL 13 0.430 -5.440 -1.529 96 HG11 VAL 13 HG11 VAL 13 2.218 -6.712 -2.468 97 HG12 VAL 13 HG12 VAL 13 2.992 -5.420 -1.550 98 HG13 VAL 13 HG13 VAL 13 2.875 -5.306 -3.306 99 HG21 VAL 13 HG21 VAL 13 2.071 -3.442 -1.134 100 HG22 VAL 13 HG22 VAL 13 0.361 -3.094 -1.392 101 HG23 VAL 13 HG23 VAL 13 1.512 -2.889 -2.713 102 H TYR 14 H TYR 14 1.431 -6.438 -5.359 103 HA TYR 14 HA TYR 14 -0.586 -8.458 -5.649 104 HB2 TYR 14 HB3 TYR 14 1.004 -9.623 -7.004 105 HB3 TYR 14 HB2 TYR 14 1.296 -7.906 -7.282 106 HD1 TYR 14 HD2 TYR 14 3.202 -6.759 -6.145 107 HD2 TYR 14 HD1 TYR 14 2.641 -11.012 -5.929 108 HE1 TYR 14 HE2 TYR 14 5.545 -7.028 -5.378 109 HE2 TYR 14 HE1 TYR 14 4.984 -11.281 -5.163 110 HH TYR 14 HH TYR 14 7.272 -8.738 -5.319 111 H GLU 15 H GLU 15 2.437 -8.361 -3.769 112 HA GLU 15 HA GLU 15 1.382 -9.996 -1.668 113 HB2 GLU 15 HB3 GLU 15 1.628 -11.740 -3.490 114 HB3 GLU 15 HB2 GLU 15 3.363 -11.427 -3.461 115 HG2 GLU 15 HG3 GLU 15 3.394 -11.982 -1.034 116 HG3 GLU 15 HG2 GLU 15 1.681 -12.391 -1.133 117 H CYS 16 H CYS 16 2.421 -8.485 -0.321 118 HA CYS 16 HA CYS 16 5.153 -7.663 -0.687 119 HB2 CYS 16 HB3 CYS 16 4.289 -6.178 0.793 120 HB3 CYS 16 HB2 CYS 16 3.046 -7.308 1.326 121 H PHE 17 H PHE 17 7.029 -8.642 0.001 122 HA PHE 17 HA PHE 17 6.719 -11.276 1.375 123 HB2 PHE 17 HB3 PHE 17 8.519 -12.070 0.144 124 HB3 PHE 17 HB2 PHE 17 7.833 -10.923 -1.002 125 HD1 PHE 17 HD2 PHE 17 8.700 -8.412 -0.697 126 HD2 PHE 17 HD1 PHE 17 10.796 -11.930 0.601 127 HE1 PHE 17 HE2 PHE 17 10.832 -7.144 -0.698 128 HE2 PHE 17 HE1 PHE 17 12.926 -10.663 0.601 129 HZ PHE 17 HZ PHE 17 12.943 -8.272 -0.046 130 H ASP 18 H ASP 18 9.662 -11.285 1.917 131 HA ASP 18 HA ASP 18 9.623 -10.309 4.571 132 HB2 ASP 18 HB3 ASP 18 11.292 -11.942 3.630 133 HB3 ASP 18 HB2 ASP 18 12.083 -10.588 2.823 134 H ALA 19 H ALA 19 9.903 -8.305 5.420 135 HA ALA 19 HA ALA 19 9.983 -6.002 3.678 136 HB1 ALA 19 HB1 ALA 19 10.451 -4.898 6.069 137 HB2 ALA 19 HB2 ALA 19 9.898 -6.478 6.623 138 HB3 ALA 19 HB3 ALA 19 8.850 -5.480 5.615 139 H PHE 20 H PHE 20 12.410 -8.068 4.364 140 HA PHE 20 HA PHE 20 14.591 -6.560 5.282 141 HB2 PHE 20 HB3 PHE 20 14.657 -9.001 4.727 142 HB3 PHE 20 HB2 PHE 20 14.667 -8.575 3.016 143 HD1 PHE 20 HD2 PHE 20 16.563 -8.342 6.193 144 HD2 PHE 20 HD1 PHE 20 16.638 -7.710 1.945 145 HE1 PHE 20 HE2 PHE 20 19.019 -8.007 6.286 146 HE2 PHE 20 HE1 PHE 20 19.093 -7.376 2.037 147 HZ PHE 20 HZ PHE 20 20.284 -7.525 4.208 148 H SER 21 H SER 21 13.262 -6.755 1.980 149 HA SER 21 HA SER 21 15.186 -4.750 1.016 150 HB2 SER 21 HB3 SER 21 12.790 -6.018 -0.342 151 HB3 SER 21 HB2 SER 21 13.968 -4.975 -1.129 152 HG SER 21 HG SER 21 14.505 -7.445 0.173 153 H SER 22 H SER 22 12.638 -4.502 2.981 154 HA SER 22 HA SER 22 11.040 -2.838 3.440 155 HB2 SER 22 HB3 SER 22 13.293 -1.282 2.153 156 HB3 SER 22 HB2 SER 22 11.885 -0.500 2.866 157 HG SER 22 HG SER 22 14.014 -1.204 4.121 158 H TYR 23 H TYR 23 10.593 -4.299 1.002 159 HA TYR 23 HA TYR 23 10.064 -2.655 -1.252 160 HB2 TYR 23 HB3 TYR 23 10.008 -5.114 -1.349 161 HB3 TYR 23 HB2 TYR 23 8.579 -5.127 -0.314 162 HD1 TYR 23 HD1 TYR 23 6.415 -4.305 -1.130 163 HD2 TYR 23 HD2 TYR 23 9.876 -4.410 -3.674 164 HE1 TYR 23 HE1 TYR 23 4.965 -3.996 -3.118 165 HE2 TYR 23 HE2 TYR 23 8.425 -4.097 -5.662 166 HH TYR 23 HH TYR 23 6.353 -3.595 -6.362 167 H CYS 24 H CYS 24 7.872 -3.639 1.389 168 HA CYS 24 HA CYS 24 5.676 -2.021 0.451 169 HB2 CYS 24 HB3 CYS 24 5.502 -3.984 2.034 170 HB3 CYS 24 HB2 CYS 24 6.185 -2.951 3.289 171 H ASN 25 H ASN 25 7.873 -1.591 3.231 172 HA ASN 25 HA ASN 25 7.068 1.056 3.862 173 HB2 ASN 25 HB3 ASN 25 9.817 -0.196 4.175 174 HB3 ASN 25 HB2 ASN 25 9.236 1.239 5.023 175 HD21 ASN 25 HD22 ASN 25 6.721 -1.025 4.535 176 HD22 ASN 25 HD21 ASN 25 6.739 -1.733 6.078 177 H GLY 26 H GLY 26 9.384 -0.199 1.520 178 HA2 GLY 26 HA3 GLY 26 10.621 2.253 0.784 179 HA3 GLY 26 HA2 GLY 26 10.449 0.858 -0.285 180 H VAL 27 H VAL 27 7.608 0.715 -0.327 181 HA VAL 27 HA VAL 27 7.005 2.602 -2.384 182 HB VAL 27 HB VAL 27 5.187 0.932 -0.625 183 HG11 VAL 27 HG11 VAL 27 4.630 2.862 -2.846 184 HG12 VAL 27 HG12 VAL 27 3.682 2.517 -1.399 185 HG13 VAL 27 HG13 VAL 27 3.664 1.390 -2.756 186 HG21 VAL 27 HG21 VAL 27 5.637 0.461 -3.542 187 HG22 VAL 27 HG22 VAL 27 5.345 -0.704 -2.251 188 HG23 VAL 27 HG23 VAL 27 6.940 0.025 -2.437 189 H CYS 28 H CYS 28 6.089 2.502 1.056 190 HA CYS 28 HA CYS 28 4.690 5.035 0.983 191 HB2 CYS 28 HB3 CYS 28 5.842 3.390 3.252 192 HB3 CYS 28 HB2 CYS 28 4.960 4.894 3.511 193 H THR 29 H THR 29 8.025 4.096 1.339 194 HA THR 29 HA THR 29 9.046 6.424 2.628 195 HB THR 29 HB THR 29 10.442 4.677 0.585 196 HG1 THR 29 HG1 THR 29 9.680 4.321 3.218 197 HG21 THR 29 HG21 THR 29 11.674 6.720 1.054 198 HG22 THR 29 HG22 THR 29 12.467 5.376 1.875 199 HG23 THR 29 HG23 THR 29 11.454 6.493 2.789 200 H LYS 30 H LYS 30 8.183 5.863 -0.739 201 HA LYS 30 HA LYS 30 9.642 7.898 -2.002 202 HB2 LYS 30 HB3 LYS 30 6.913 6.743 -2.513 203 HB3 LYS 30 HB2 LYS 30 7.514 8.075 -3.501 204 HG2 LYS 30 HG3 LYS 30 8.101 5.996 -4.595 205 HG3 LYS 30 HG2 LYS 30 9.579 6.714 -3.953 206 HD2 LYS 30 HD3 LYS 30 9.601 5.224 -2.082 207 HD3 LYS 30 HD2 LYS 30 7.963 4.667 -2.424 208 HE2 LYS 30 HE3 LYS 30 9.393 2.953 -3.250 209 HE3 LYS 30 HE2 LYS 30 8.869 3.851 -4.674 210 HZ1 LYS 30 HZ1 LYS 30 11.122 3.744 -4.995 211 HZ2 LYS 30 HZ2 LYS 30 11.487 3.845 -3.342 212 HZ3 LYS 30 HZ3 LYS 30 10.992 5.233 -4.187 213 H ASN 31 H ASN 31 6.729 8.203 -0.019 214 HA ASN 31 HA ASN 31 6.042 10.873 -0.674 215 HB2 ASN 31 HB3 ASN 31 4.813 9.232 0.891 216 HB3 ASN 31 HB2 ASN 31 5.926 9.795 2.139 217 HD21 ASN 31 HD22 ASN 31 5.843 12.506 0.482 218 HD22 ASN 31 HD21 ASN 31 4.446 13.254 1.092 219 H GLY 32 H GLY 32 8.580 9.596 1.413 220 HA2 GLY 32 HA3 GLY 32 10.625 10.855 1.804 221 HA3 GLY 32 HA2 GLY 32 9.709 12.346 1.580 222 H ALA 33 H ALA 33 7.825 10.300 3.380 223 HA ALA 33 HA ALA 33 9.008 10.568 5.999 224 HB1 ALA 33 HB1 ALA 33 8.480 12.746 6.356 225 HB2 ALA 33 HB2 ALA 33 6.823 12.162 6.515 226 HB3 ALA 33 HB3 ALA 33 7.390 12.797 4.970 227 H LYS 34 H LYS 34 6.242 10.059 3.932 228 HA LYS 34 HA LYS 34 4.355 9.044 5.757 229 HB2 LYS 34 HB3 LYS 34 4.011 9.390 3.293 230 HB3 LYS 34 HB2 LYS 34 4.963 7.937 3.003 231 HG2 LYS 34 HG3 LYS 34 3.360 6.595 4.256 232 HG3 LYS 34 HG2 LYS 34 2.429 8.036 4.645 233 HD2 LYS 34 HD3 LYS 34 2.355 8.398 2.066 234 HD3 LYS 34 HD2 LYS 34 2.783 6.692 1.981 235 HE2 LYS 34 HE3 LYS 34 0.758 6.665 3.840 236 HE3 LYS 34 HE2 LYS 34 0.237 7.959 2.762 237 HZ1 LYS 34 HZ1 LYS 34 -0.338 5.478 2.249 238 HZ2 LYS 34 HZ2 LYS 34 1.220 5.464 1.581 239 HZ3 LYS 34 HZ3 LYS 34 0.057 6.555 0.995 240 H SER 35 H SER 35 4.266 7.159 6.951 241 HA SER 35 HA SER 35 6.497 5.219 6.512 242 HB2 SER 35 HB3 SER 35 5.033 5.866 9.084 243 HB3 SER 35 HB2 SER 35 6.342 4.699 8.912 244 HG SER 35 HG SER 35 6.404 7.513 8.616 245 H GLY 36 H GLY 36 5.940 3.046 6.319 246 HA2 GLY 36 HA3 GLY 36 3.142 2.283 6.905 247 HA3 GLY 36 HA2 GLY 36 3.743 2.020 5.269 248 H TYR 37 H TYR 37 2.814 -0.009 7.063 249 HA TYR 37 HA TYR 37 5.329 -1.600 7.365 250 HB2 TYR 37 HB3 TYR 37 2.866 -1.846 9.119 251 HB3 TYR 37 HB2 TYR 37 4.416 -2.656 9.341 252 HD1 TYR 37 HD2 TYR 37 6.508 -1.112 9.611 253 HD2 TYR 37 HD1 TYR 37 2.457 0.196 10.180 254 HE1 TYR 37 HE2 TYR 37 7.319 0.816 10.944 255 HE2 TYR 37 HE1 TYR 37 3.267 2.125 11.513 256 HH TYR 37 HH TYR 37 5.673 3.463 11.533 257 H CYS 38 H CYS 38 5.025 -3.902 6.902 258 HA CYS 38 HA CYS 38 2.722 -4.346 5.070 259 HB2 CYS 38 HB3 CYS 38 4.794 -4.847 4.010 260 HB3 CYS 38 HB2 CYS 38 5.378 -5.748 5.408 261 H GLN 39 H GLN 39 1.038 -5.497 5.805 262 HA GLN 39 HA GLN 39 1.509 -7.450 8.025 263 HB2 GLN 39 HB3 GLN 39 -0.905 -5.668 7.568 264 HB3 GLN 39 HB2 GLN 39 -0.763 -6.885 8.837 265 HG2 GLN 39 HG3 GLN 39 1.253 -5.694 9.703 266 HG3 GLN 39 HG2 GLN 39 0.992 -4.437 8.492 267 HE21 GLN 39 HE22 GLN 39 -2.057 -5.474 9.281 268 HE22 GLN 39 HE21 GLN 39 -2.418 -4.373 10.522 269 H ILE 40 H ILE 40 -0.835 -8.762 8.096 270 HA ILE 40 HA ILE 40 -0.888 -10.093 5.452 271 HB ILE 40 HB ILE 40 -2.216 -10.890 8.055 272 HG12 ILE 40 HG13 ILE 40 0.341 -11.913 6.778 273 HG13 ILE 40 HG12 ILE 40 0.283 -10.824 8.164 274 HG21 ILE 40 HG21 ILE 40 -1.687 -13.090 6.357 275 HG22 ILE 40 HG22 ILE 40 -2.425 -11.846 5.348 276 HG23 ILE 40 HG23 ILE 40 -3.262 -12.422 6.790 277 HD11 ILE 40 HD11 ILE 40 -1.448 -13.095 8.615 278 HD12 ILE 40 HD12 ILE 40 -0.073 -12.545 9.571 279 HD13 ILE 40 HD13 ILE 40 0.179 -13.643 8.215 280 H LEU 41 H LEU 41 -2.783 -10.297 4.237 281 HA LEU 41 HA LEU 41 -4.606 -8.160 4.190 282 HB2 LEU 41 HB3 LEU 41 -4.205 -9.870 2.375 283 HB3 LEU 41 HB2 LEU 41 -5.200 -10.993 3.298 284 HG LEU 41 HG LEU 41 -7.053 -9.298 3.242 285 HD11 LEU 41 HD11 LEU 41 -4.959 -7.846 1.675 286 HD12 LEU 41 HD12 LEU 41 -6.157 -7.212 2.804 287 HD13 LEU 41 HD13 LEU 41 -6.640 -7.672 1.171 288 HD21 LEU 41 HD21 LEU 41 -7.456 -9.614 0.710 289 HD22 LEU 41 HD22 LEU 41 -7.250 -11.072 1.681 290 HD23 LEU 41 HD23 LEU 41 -5.913 -10.467 0.702 291 H GLY 42 H GLY 42 -4.852 -11.288 5.847 292 HA2 GLY 42 HA3 GLY 42 -6.045 -11.014 8.114 293 HA3 GLY 42 HA2 GLY 42 -7.364 -10.339 7.155 294 H THR 43 H THR 43 -7.693 -11.918 5.077 295 HA THR 43 HA THR 43 -8.338 -14.554 6.276 296 HB THR 43 HB THR 43 -9.252 -13.363 3.641 297 HG1 THR 43 HG1 THR 43 -10.587 -12.291 4.824 298 HG21 THR 43 HG21 THR 43 -10.295 -15.326 3.264 299 HG22 THR 43 HG22 THR 43 -10.933 -15.373 4.907 300 HG23 THR 43 HG23 THR 43 -9.318 -15.995 4.571 301 H TYR 44 H TYR 44 -7.384 -13.463 3.023 302 HA TYR 44 HA TYR 44 -5.196 -15.476 3.042 303 HB2 TYR 44 HB3 TYR 44 -5.860 -16.444 0.970 304 HB3 TYR 44 HB2 TYR 44 -7.340 -16.371 1.929 305 HD1 TYR 44 HD2 TYR 44 -9.030 -14.598 1.502 306 HD2 TYR 44 HD1 TYR 44 -5.568 -15.079 -0.995 307 HE1 TYR 44 HE2 TYR 44 -10.094 -13.194 -0.242 308 HE2 TYR 44 HE1 TYR 44 -6.632 -13.674 -2.739 309 HH TYR 44 HH TYR 44 -9.853 -12.975 -2.824 310 H GLY 45 H GLY 45 -3.584 -15.005 1.322 311 HA2 GLY 45 HA3 GLY 45 -2.422 -13.545 -0.143 312 HA3 GLY 45 HA2 GLY 45 -3.807 -12.453 -0.100 313 H ASN 46 H ASN 46 -2.040 -10.792 0.140 314 HA ASN 46 HA ASN 46 -1.504 -10.359 3.025 315 HB2 ASN 46 HB3 ASN 46 0.524 -11.370 1.814 316 HB3 ASN 46 HB2 ASN 46 0.622 -9.839 0.943 317 HD21 ASN 46 HD22 ASN 46 1.640 -8.112 2.008 318 HD22 ASN 46 HD21 ASN 46 2.093 -8.130 3.642 319 H GLY 47 H GLY 47 -0.965 -8.033 3.464 320 HA2 GLY 47 HA3 GLY 47 -1.787 -6.198 1.268 321 HA3 GLY 47 HA2 GLY 47 -2.650 -6.116 2.803 322 H CYS 48 H CYS 48 -1.163 -3.948 1.701 323 HA CYS 48 HA CYS 48 1.232 -3.799 3.452 324 HB2 CYS 48 HB3 CYS 48 0.493 -2.648 0.849 325 HB3 CYS 48 HB2 CYS 48 1.212 -1.483 1.960 326 H TRP 49 H TRP 49 1.503 -1.817 4.742 327 HA TRP 49 HA TRP 49 -1.092 -0.475 5.374 328 HB2 TRP 49 HB3 TRP 49 -0.020 -2.223 7.055 329 HB3 TRP 49 HB2 TRP 49 1.014 -0.857 7.469 330 HD1 TRP 49 HD1 TRP 49 -0.180 1.339 8.456 331 HE1 TRP 49 HE1 TRP 49 -2.415 1.627 9.709 332 HE3 TRP 49 HE3 TRP 49 -2.422 -3.092 7.281 333 HZ2 TRP 49 HZ2 TRP 49 -4.836 0.165 10.154 334 HZ3 TRP 49 HZ3 TRP 49 -4.688 -3.621 8.131 335 HH2 TRP 49 HH2 TRP 49 -5.896 -1.999 9.565 336 H CYS 50 H CYS 50 -0.953 1.695 5.010 337 HA CYS 50 HA CYS 50 1.720 2.995 5.342 338 HB2 CYS 50 HB3 CYS 50 0.542 2.745 2.939 339 HB3 CYS 50 HB2 CYS 50 -0.238 4.229 3.489 340 H ILE 51 H ILE 51 1.745 4.807 6.632 341 HA ILE 51 HA ILE 51 -0.902 5.746 7.644 342 HB ILE 51 HB ILE 51 1.758 5.672 9.085 343 HG12 ILE 51 HG13 ILE 51 -0.466 4.162 10.211 344 HG13 ILE 51 HG12 ILE 51 -0.072 3.615 8.582 345 HG21 ILE 51 HG21 ILE 51 -0.445 5.999 10.838 346 HG22 ILE 51 HG22 ILE 51 -0.665 7.168 9.535 347 HG23 ILE 51 HG23 ILE 51 0.823 7.172 10.482 348 HD11 ILE 51 HD11 ILE 51 1.218 2.512 10.512 349 HD12 ILE 51 HD12 ILE 51 2.063 4.051 10.673 350 HD13 ILE 51 HD13 ILE 51 2.177 3.136 9.169 351 H ALA 52 H ALA 52 -1.352 7.867 7.530 352 HA ALA 52 HA ALA 52 0.338 10.072 7.722 353 HB1 ALA 52 HB1 ALA 52 1.612 9.760 5.831 354 HB2 ALA 52 HB2 ALA 52 0.243 10.582 5.085 355 HB3 ALA 52 HB3 ALA 52 0.358 8.824 5.016 356 H LEU 53 H LEU 53 -0.867 12.015 7.449 357 HA LEU 53 HA LEU 53 -3.656 11.661 6.427 358 HB2 LEU 53 HB3 LEU 53 -3.536 11.663 8.945 359 HB3 LEU 53 HB2 LEU 53 -2.889 13.302 8.855 360 HG LEU 53 HG LEU 53 -5.150 13.324 7.191 361 HD11 LEU 53 HD11 LEU 53 -5.760 11.955 9.830 362 HD12 LEU 53 HD12 LEU 53 -5.810 11.167 8.252 363 HD13 LEU 53 HD13 LEU 53 -6.940 12.470 8.624 364 HD21 LEU 53 HD21 LEU 53 -6.082 14.739 9.065 365 HD22 LEU 53 HD22 LEU 53 -4.454 15.194 8.562 366 HD23 LEU 53 HD23 LEU 53 -4.693 14.260 10.040 367 HA PRO 54 HA PRO 54 -1.668 15.405 4.565 368 HB2 PRO 54 HB2 PRO 54 -1.776 14.652 1.973 369 HB3 PRO 54 HB3 PRO 54 -0.477 14.111 3.054 370 HG2 PRO 54 HG3 PRO 54 -2.852 12.638 2.064 371 HG3 PRO 54 HG2 PRO 54 -1.221 12.048 2.420 372 HD2 PRO 54 HD3 PRO 54 -3.456 11.793 4.108 373 HD3 PRO 54 HD2 PRO 54 -1.761 11.568 4.587 374 H ASP 55 H ASP 55 -3.600 14.279 1.917 375 HA ASP 55 HA ASP 55 -5.491 16.517 2.360 376 HB2 ASP 55 HB3 ASP 55 -5.017 14.692 -0.015 377 HB3 ASP 55 HB2 ASP 55 -6.231 15.971 0.024 378 H ASN 56 H ASN 56 -5.394 13.568 3.558 379 HA ASN 56 HA ASN 56 -7.033 12.077 4.337 380 HB2 ASN 56 HB3 ASN 56 -8.144 14.430 4.725 381 HB3 ASN 56 HB2 ASN 56 -9.168 13.956 3.369 382 HD21 ASN 56 HD22 ASN 56 -8.436 11.040 4.611 383 HD22 ASN 56 HD21 ASN 56 -9.675 10.862 5.757 384 H VAL 57 H VAL 57 -6.031 11.606 1.781 385 HA VAL 57 HA VAL 57 -8.079 11.293 -0.209 386 HB VAL 57 HB VAL 57 -5.556 9.650 0.025 387 HG11 VAL 57 HG11 VAL 57 -5.892 9.132 -2.177 388 HG12 VAL 57 HG12 VAL 57 -6.574 10.716 -2.549 389 HG13 VAL 57 HG13 VAL 57 -7.575 9.483 -1.782 390 HG21 VAL 57 HG21 VAL 57 -4.821 11.908 0.297 391 HG22 VAL 57 HG22 VAL 57 -5.974 12.501 -0.899 392 HG23 VAL 57 HG23 VAL 57 -4.590 11.538 -1.412 393 HA PRO 58 HA PRO 58 -9.666 7.543 1.829 394 HB2 PRO 58 HB2 PRO 58 -12.068 7.427 0.642 395 HB3 PRO 58 HB3 PRO 58 -11.702 8.697 1.829 396 HG2 PRO 58 HG3 PRO 58 -11.821 8.855 -1.135 397 HG3 PRO 58 HG2 PRO 58 -12.303 10.047 0.082 398 HD2 PRO 58 HD3 PRO 58 -9.872 10.043 -1.338 399 HD3 PRO 58 HD2 PRO 58 -10.228 10.985 0.129 400 H ILE 59 H ILE 59 -10.368 5.342 1.014 401 HA ILE 59 HA ILE 59 -9.221 4.847 -1.695 402 HB ILE 59 HB ILE 59 -9.665 2.802 0.486 403 HG12 ILE 59 HG13 ILE 59 -8.116 4.429 1.394 404 HG13 ILE 59 HG12 ILE 59 -7.173 3.040 0.850 405 HG21 ILE 59 HG21 ILE 59 -7.576 2.634 -1.634 406 HG22 ILE 59 HG22 ILE 59 -9.251 2.405 -2.131 407 HG23 ILE 59 HG23 ILE 59 -8.542 1.351 -0.907 408 HD11 ILE 59 HD11 ILE 59 -5.967 4.829 -0.054 409 HD12 ILE 59 HD12 ILE 59 -7.420 5.761 -0.405 410 HD13 ILE 59 HD13 ILE 59 -7.006 4.370 -1.403 411 H ARG 60 H ARG 60 -10.555 4.086 -3.256 412 HA ARG 60 HA ARG 60 -13.246 3.088 -2.429 413 HB2 ARG 60 HB3 ARG 60 -13.646 3.875 -5.001 414 HB3 ARG 60 HB2 ARG 60 -13.957 4.910 -3.611 415 HG2 ARG 60 HG3 ARG 60 -12.620 6.154 -5.205 416 HG3 ARG 60 HG2 ARG 60 -11.605 5.787 -3.815 417 HD2 ARG 60 HD3 ARG 60 -10.628 3.875 -5.016 418 HD3 ARG 60 HD2 ARG 60 -11.682 4.189 -6.393 419 HE ARG 60 HE ARG 60 -9.967 6.444 -5.606 420 HH11 ARG 60 HH22 ARG 60 -10.456 3.627 -7.535 421 HH12 ARG 60 HH21 ARG 60 -9.324 4.105 -8.756 422 HH21 ARG 60 HH11 ARG 60 -8.486 7.083 -7.189 423 HH22 ARG 60 HH12 ARG 60 -8.208 6.061 -8.560 424 H ILE 61 H ILE 61 -12.439 0.912 -2.411 425 HA ILE 61 HA ILE 61 -11.870 -0.175 -5.142 426 HB ILE 61 HB ILE 61 -10.685 -2.028 -3.675 427 HG12 ILE 61 HG13 ILE 61 -10.414 0.444 -1.934 428 HG13 ILE 61 HG12 ILE 61 -11.441 -0.934 -1.538 429 HG21 ILE 61 HG21 ILE 61 -8.576 -0.548 -3.754 430 HG22 ILE 61 HG22 ILE 61 -9.626 0.705 -4.412 431 HG23 ILE 61 HG23 ILE 61 -9.418 -0.816 -5.279 432 HD11 ILE 61 HD11 ILE 61 -9.110 -0.945 -0.492 433 HD12 ILE 61 HD12 ILE 61 -8.489 -1.230 -2.118 434 HD13 ILE 61 HD13 ILE 61 -9.568 -2.406 -1.368 435 HA PRO 62 HA PRO 62 -15.888 -1.925 -3.563 436 HB2 PRO 62 HB2 PRO 62 -16.094 -2.384 -6.499 437 HB3 PRO 62 HB3 PRO 62 -17.291 -1.715 -5.375 438 HG2 PRO 62 HG3 PRO 62 -15.952 -0.172 -7.097 439 HG3 PRO 62 HG2 PRO 62 -16.415 0.396 -5.485 440 HD2 PRO 62 HD3 PRO 62 -13.725 -0.404 -6.496 441 HD3 PRO 62 HD2 PRO 62 -14.156 0.783 -5.244 442 H GLY 63 H GLY 63 -13.240 -3.159 -5.440 443 HA2 GLY 63 HA3 GLY 63 -13.054 -5.659 -4.289 444 HA3 GLY 63 HA2 GLY 63 -14.222 -5.899 -5.590 445 H LYS 64 H LYS 64 -12.562 -3.548 -6.912 446 HA LYS 64 HA LYS 64 -11.115 -5.167 -8.741 447 HB2 LYS 64 HB3 LYS 64 -10.690 -2.255 -8.007 448 HB3 LYS 64 HB2 LYS 64 -10.013 -3.047 -9.429 449 HG2 LYS 64 HG3 LYS 64 -12.373 -3.654 -10.105 450 HG3 LYS 64 HG2 LYS 64 -12.943 -2.618 -8.795 451 HD2 LYS 64 HD3 LYS 64 -11.127 -1.699 -11.043 452 HD3 LYS 64 HD2 LYS 64 -12.871 -1.434 -10.993 453 HE2 LYS 64 HE3 LYS 64 -12.400 -0.380 -8.654 454 HE3 LYS 64 HE2 LYS 64 -10.735 -0.265 -9.223 455 HZ1 LYS 64 HZ1 LYS 64 -12.845 1.442 -9.802 456 HZ2 LYS 64 HZ2 LYS 64 -12.491 0.618 -11.241 457 HZ3 LYS 64 HZ3 LYS 64 -11.271 1.486 -10.439 458 H CYS 65 H CYS 65 -10.149 -3.693 -5.688 459 HA CYS 65 HA CYS 65 -7.340 -3.967 -5.898 460 HB2 CYS 65 HB3 CYS 65 -8.512 -2.822 -4.020 461 HB3 CYS 65 HB2 CYS 65 -9.042 -4.393 -3.422 462 H HIS 66 H HIS 66 -9.832 -6.364 -5.181 463 HA HIS 66 HA HIS 66 -8.045 -8.443 -4.314 464 HB2 HIS 66 HB3 HIS 66 -10.792 -8.596 -5.593 465 HB3 HIS 66 HB2 HIS 66 -9.952 -9.965 -4.861 466 HD1 HIS 66 HD1 HIS 66 -11.694 -6.749 -4.003 467 HD2 HIS 66 HD2 HIS 66 -9.823 -9.901 -2.012 468 HE1 HIS 66 HE1 HIS 66 -12.264 -6.486 -1.548 469 HE2 HIS 66 HE2 HIS 66 -11.129 -8.399 -0.327 Start of MODEL 7 1 H1 ALA 1 H1 ALA 1 -0.800 11.474 2.277 2 H2 ALA 1 H2 ALA 1 -1.251 11.439 0.639 3 H3 ALA 1 H3 ALA 1 -0.462 10.105 1.335 4 HA ALA 1 HA ALA 1 -3.040 11.021 2.423 5 HB1 ALA 1 HB1 ALA 1 -2.811 8.959 0.228 6 HB2 ALA 1 HB2 ALA 1 -3.120 10.658 -0.131 7 HB3 ALA 1 HB3 ALA 1 -4.265 9.742 0.847 8 H ARG 2 H ARG 2 -4.081 8.384 2.404 9 HA ARG 2 HA ARG 2 -2.066 6.895 4.037 10 HB2 ARG 2 HB3 ARG 2 -3.722 7.990 5.510 11 HB3 ARG 2 HB2 ARG 2 -5.026 7.190 4.633 12 HG2 ARG 2 HG3 ARG 2 -4.052 4.983 5.257 13 HG3 ARG 2 HG2 ARG 2 -2.816 5.820 6.194 14 HD2 ARG 2 HD3 ARG 2 -4.624 6.883 7.546 15 HD3 ARG 2 HD2 ARG 2 -5.806 5.917 6.664 16 HE ARG 2 HE ARG 2 -4.036 4.950 8.772 17 HH11 ARG 2 HH22 ARG 2 -5.825 4.208 5.920 18 HH12 ARG 2 HH21 ARG 2 -6.005 2.529 6.309 19 HH21 ARG 2 HH11 ARG 2 -4.261 2.762 9.296 20 HH22 ARG 2 HH12 ARG 2 -5.120 1.711 8.220 21 H ASP 3 H ASP 3 -1.970 4.715 3.637 22 HA ASP 3 HA ASP 3 -3.845 3.650 1.573 23 HB2 ASP 3 HB3 ASP 3 -1.045 2.799 2.347 24 HB3 ASP 3 HB2 ASP 3 -2.058 1.944 1.190 25 H ALA 4 H ALA 4 -4.770 1.546 1.959 26 HA ALA 4 HA ALA 4 -4.810 0.821 4.848 27 HB1 ALA 4 HB1 ALA 4 -7.035 0.986 4.445 28 HB2 ALA 4 HB2 ALA 4 -6.853 -0.598 3.689 29 HB3 ALA 4 HB3 ALA 4 -6.819 0.861 2.699 30 H TYR 5 H TYR 5 -5.738 -1.264 2.156 31 HA TYR 5 HA TYR 5 -3.830 -3.288 3.208 32 HB2 TYR 5 HB3 TYR 5 -6.036 -3.630 1.155 33 HB3 TYR 5 HB2 TYR 5 -5.160 -4.912 1.993 34 HD1 TYR 5 HD1 TYR 5 -5.453 -5.227 4.455 35 HD2 TYR 5 HD2 TYR 5 -7.842 -2.454 2.209 36 HE1 TYR 5 HE1 TYR 5 -7.088 -5.127 6.318 37 HE2 TYR 5 HE2 TYR 5 -9.478 -2.355 4.070 38 HH TYR 5 HH TYR 5 -9.136 -2.872 6.846 39 H ILE 6 H ILE 6 -3.656 -0.891 1.042 40 HA ILE 6 HA ILE 6 -2.170 -2.506 -0.977 41 HB ILE 6 HB ILE 6 -2.551 -0.665 -2.524 42 HG12 ILE 6 HG13 ILE 6 -3.875 0.704 -0.161 43 HG13 ILE 6 HG12 ILE 6 -2.366 1.196 -0.932 44 HG21 ILE 6 HG21 ILE 6 -5.254 -0.797 -1.338 45 HG22 ILE 6 HG22 ILE 6 -4.481 -2.360 -1.603 46 HG23 ILE 6 HG23 ILE 6 -4.711 -1.249 -2.953 47 HD11 ILE 6 HD11 ILE 6 -3.965 1.119 -3.104 48 HD12 ILE 6 HD12 ILE 6 -3.757 2.568 -2.120 49 HD13 ILE 6 HD13 ILE 6 -5.160 1.529 -1.873 50 H ALA 7 H ALA 7 -0.062 -1.811 -1.575 51 HA ALA 7 HA ALA 7 1.233 -0.058 0.450 52 HB1 ALA 7 HB1 ALA 7 2.017 -2.500 -0.206 53 HB2 ALA 7 HB2 ALA 7 3.208 -1.235 0.096 54 HB3 ALA 7 HB3 ALA 7 2.777 -1.660 -1.559 55 H LYS 8 H LYS 8 -0.073 0.141 -2.575 56 HA LYS 8 HA LYS 8 1.733 2.396 -3.297 57 HB2 LYS 8 HB3 LYS 8 0.504 1.093 -5.604 58 HB3 LYS 8 HB2 LYS 8 2.199 1.499 -5.319 59 HG2 LYS 8 HG3 LYS 8 2.316 -0.498 -3.767 60 HG3 LYS 8 HG2 LYS 8 0.717 -0.955 -4.352 61 HD2 LYS 8 HD3 LYS 8 2.088 -0.475 -6.698 62 HD3 LYS 8 HD2 LYS 8 3.331 -1.188 -5.674 63 HE2 LYS 8 HE3 LYS 8 0.584 -2.397 -6.097 64 HE3 LYS 8 HE2 LYS 8 2.030 -2.889 -6.977 65 HZ1 LYS 8 HZ1 LYS 8 2.209 -2.803 -4.068 66 HZ2 LYS 8 HZ2 LYS 8 2.912 -3.888 -5.165 67 HZ3 LYS 8 HZ3 LYS 8 1.274 -4.051 -4.742 68 HA PRO 9 HA PRO 9 -1.657 5.095 -4.000 69 HB2 PRO 9 HB2 PRO 9 -1.370 4.875 -6.967 70 HB3 PRO 9 HB3 PRO 9 -1.440 6.321 -5.941 71 HG2 PRO 9 HG3 PRO 9 0.857 5.458 -6.964 72 HG3 PRO 9 HG2 PRO 9 0.770 6.173 -5.346 73 HD2 PRO 9 HD3 PRO 9 1.136 3.320 -6.123 74 HD3 PRO 9 HD2 PRO 9 1.716 4.183 -4.680 75 H HIS 10 H HIS 10 -2.146 3.297 -7.042 76 HA HIS 10 HA HIS 10 -4.867 2.590 -6.046 77 HB2 HIS 10 HB3 HIS 10 -3.876 2.634 -8.907 78 HB3 HIS 10 HB2 HIS 10 -5.548 2.493 -8.363 79 HD1 HIS 10 HD1 HIS 10 -6.210 4.659 -6.644 80 HD2 HIS 10 HD2 HIS 10 -3.279 5.243 -9.555 81 HE1 HIS 10 HE1 HIS 10 -6.014 7.166 -6.974 82 HE2 HIS 10 HE2 HIS 10 -4.234 7.531 -8.744 83 H ASN 11 H ASN 11 -1.840 1.227 -6.676 84 HA ASN 11 HA ASN 11 -3.014 -1.435 -7.321 85 HB2 ASN 11 HB3 ASN 11 -0.107 -0.576 -7.293 86 HB3 ASN 11 HB2 ASN 11 -0.747 -2.097 -7.915 87 HD21 ASN 11 HD22 ASN 11 -0.047 1.175 -8.745 88 HD22 ASN 11 HD21 ASN 11 -0.793 1.178 -10.271 89 H CYS 12 H CYS 12 -2.343 -3.291 -6.032 90 HA CYS 12 HA CYS 12 -1.486 -2.537 -3.263 91 HB2 CYS 12 HB3 CYS 12 -2.995 -4.126 -2.364 92 HB3 CYS 12 HB2 CYS 12 -3.918 -3.293 -3.614 93 H VAL 13 H VAL 13 -0.751 -4.677 -2.078 94 HA VAL 13 HA VAL 13 1.264 -5.953 -3.866 95 HB VAL 13 HB VAL 13 1.164 -5.613 -0.857 96 HG11 VAL 13 HG11 VAL 13 3.125 -7.082 -2.640 97 HG12 VAL 13 HG12 VAL 13 2.180 -7.756 -1.311 98 HG13 VAL 13 HG13 VAL 13 3.485 -6.616 -0.978 99 HG21 VAL 13 HG21 VAL 13 1.776 -3.609 -2.193 100 HG22 VAL 13 HG22 VAL 13 3.053 -4.539 -2.976 101 HG23 VAL 13 HG23 VAL 13 3.140 -4.204 -1.246 102 H TYR 14 H TYR 14 1.261 -8.147 -4.152 103 HA TYR 14 HA TYR 14 -1.057 -9.648 -3.151 104 HB2 TYR 14 HB3 TYR 14 -0.377 -11.375 -4.656 105 HB3 TYR 14 HB2 TYR 14 -0.063 -9.861 -5.502 106 HD1 TYR 14 HD2 TYR 14 2.262 -8.947 -5.610 107 HD2 TYR 14 HD1 TYR 14 1.409 -12.836 -4.001 108 HE1 TYR 14 HE2 TYR 14 4.656 -9.560 -5.825 109 HE2 TYR 14 HE1 TYR 14 3.802 -13.450 -4.216 110 HH TYR 14 HH TYR 14 5.964 -11.791 -6.076 111 H GLU 15 H GLU 15 2.400 -9.435 -2.561 112 HA GLU 15 HA GLU 15 2.180 -10.612 0.046 113 HB2 GLU 15 HB3 GLU 15 1.930 -12.665 -1.437 114 HB3 GLU 15 HB2 GLU 15 3.582 -12.370 -1.982 115 HG2 GLU 15 HG3 GLU 15 3.698 -13.954 -0.167 116 HG3 GLU 15 HG2 GLU 15 4.301 -12.409 0.437 117 H CYS 16 H CYS 16 3.513 -8.910 0.714 118 HA CYS 16 HA CYS 16 5.902 -8.134 -0.686 119 HB2 CYS 16 HB3 CYS 16 6.475 -7.053 1.572 120 HB3 CYS 16 HB2 CYS 16 4.978 -6.527 0.802 121 H PHE 17 H PHE 17 7.413 -9.697 -1.034 122 HA PHE 17 HA PHE 17 7.913 -11.972 0.526 123 HB2 PHE 17 HB3 PHE 17 9.777 -12.319 -0.815 124 HB3 PHE 17 HB2 PHE 17 8.840 -11.213 -1.816 125 HD1 PHE 17 HD1 PHE 17 9.364 -8.731 -1.739 126 HD2 PHE 17 HD2 PHE 17 11.912 -11.703 0.031 127 HE1 PHE 17 HE1 PHE 17 11.235 -7.104 -1.700 128 HE2 PHE 17 HE2 PHE 17 13.783 -10.074 0.071 129 HZ PHE 17 HZ PHE 17 13.444 -7.774 -0.795 130 H ASP 18 H ASP 18 9.437 -8.758 0.798 131 HA ASP 18 HA ASP 18 10.130 -9.443 3.587 132 HB2 ASP 18 HB3 ASP 18 12.097 -10.069 2.119 133 HB3 ASP 18 HB2 ASP 18 12.231 -8.361 1.698 134 H ALA 19 H ALA 19 8.383 -7.806 3.825 135 HA ALA 19 HA ALA 19 8.729 -5.103 2.906 136 HB1 ALA 19 HB1 ALA 19 7.127 -6.271 5.192 137 HB2 ALA 19 HB2 ALA 19 6.536 -5.837 3.587 138 HB3 ALA 19 HB3 ALA 19 7.044 -4.576 4.710 139 H PHE 20 H PHE 20 9.855 -6.876 5.716 140 HA PHE 20 HA PHE 20 10.593 -4.729 7.396 141 HB2 PHE 20 HB3 PHE 20 10.726 -7.155 8.008 142 HB3 PHE 20 HB2 PHE 20 12.147 -7.300 6.974 143 HD1 PHE 20 HD2 PHE 20 10.789 -5.710 10.033 144 HD2 PHE 20 HD1 PHE 20 14.287 -6.423 7.645 145 HE1 PHE 20 HE2 PHE 20 12.219 -4.875 11.879 146 HE2 PHE 20 HE1 PHE 20 15.717 -5.587 9.491 147 HZ PHE 20 HZ PHE 20 14.683 -4.813 11.607 148 H SER 21 H SER 21 12.335 -6.184 4.652 149 HA SER 21 HA SER 21 14.760 -4.744 4.928 150 HB2 SER 21 HB3 SER 21 14.309 -6.617 3.291 151 HB3 SER 21 HB2 SER 21 13.421 -5.457 2.306 152 HG SER 21 HG SER 21 15.832 -4.486 3.074 153 H SER 22 H SER 22 11.875 -3.903 2.990 154 HA SER 22 HA SER 22 11.516 -1.276 3.597 155 HB2 SER 22 HB3 SER 22 14.040 -1.593 2.037 156 HB3 SER 22 HB2 SER 22 13.000 -0.235 1.625 157 HG SER 22 HG SER 22 13.092 -0.353 4.249 158 H TYR 23 H TYR 23 10.883 -3.813 1.721 159 HA TYR 23 HA TYR 23 10.269 -2.757 -0.847 160 HB2 TYR 23 HB3 TYR 23 10.222 -5.183 -0.285 161 HB3 TYR 23 HB2 TYR 23 8.750 -4.909 0.646 162 HD1 TYR 23 HD1 TYR 23 6.642 -4.348 -0.444 163 HD2 TYR 23 HD2 TYR 23 10.217 -5.019 -2.728 164 HE1 TYR 23 HE1 TYR 23 5.288 -4.513 -2.515 165 HE2 TYR 23 HE2 TYR 23 8.864 -5.184 -4.800 166 HH TYR 23 HH TYR 23 5.329 -5.143 -4.691 167 H CYS 24 H CYS 24 7.907 -3.366 1.780 168 HA CYS 24 HA CYS 24 5.870 -1.753 0.560 169 HB2 CYS 24 HB3 CYS 24 5.602 -3.537 2.408 170 HB3 CYS 24 HB2 CYS 24 6.079 -2.262 3.530 171 H ASN 25 H ASN 25 8.053 -1.096 3.302 172 HA ASN 25 HA ASN 25 7.277 1.615 3.681 173 HB2 ASN 25 HB3 ASN 25 9.978 0.317 4.164 174 HB3 ASN 25 HB2 ASN 25 9.456 1.866 4.829 175 HD21 ASN 25 HD22 ASN 25 6.796 -0.231 4.618 176 HD22 ASN 25 HD21 ASN 25 6.797 -0.792 6.220 177 H GLY 26 H GLY 26 9.607 0.117 1.488 178 HA2 GLY 26 HA3 GLY 26 10.920 2.460 0.580 179 HA3 GLY 26 HA2 GLY 26 10.704 1.004 -0.392 180 H VAL 27 H VAL 27 7.896 0.925 -0.548 181 HA VAL 27 HA VAL 27 7.413 2.785 -2.671 182 HB VAL 27 HB VAL 27 5.436 1.218 -0.984 183 HG11 VAL 27 HG11 VAL 27 4.132 2.858 -2.042 184 HG12 VAL 27 HG12 VAL 27 4.089 1.532 -3.205 185 HG13 VAL 27 HG13 VAL 27 5.170 2.900 -3.467 186 HG21 VAL 27 HG21 VAL 27 7.130 -0.140 -2.224 187 HG22 VAL 27 HG22 VAL 27 6.619 0.641 -3.721 188 HG23 VAL 27 HG23 VAL 27 5.493 -0.384 -2.832 189 H CYS 28 H CYS 28 6.445 2.767 0.752 190 HA CYS 28 HA CYS 28 4.935 5.205 0.650 191 HB2 CYS 28 HB3 CYS 28 6.379 3.782 2.897 192 HB3 CYS 28 HB2 CYS 28 5.479 5.275 3.155 193 H THR 29 H THR 29 8.368 4.514 0.976 194 HA THR 29 HA THR 29 9.266 7.047 1.892 195 HB THR 29 HB THR 29 10.663 5.223 -0.090 196 HG1 THR 29 HG1 THR 29 11.639 4.516 1.991 197 HG21 THR 29 HG21 THR 29 11.610 7.371 1.821 198 HG22 THR 29 HG22 THR 29 11.805 7.324 0.068 199 HG23 THR 29 HG23 THR 29 12.697 6.193 1.086 200 H LYS 30 H LYS 30 8.838 5.862 -1.442 201 HA LYS 30 HA LYS 30 9.571 8.323 -2.709 202 HB2 LYS 30 HB3 LYS 30 7.797 6.046 -3.636 203 HB3 LYS 30 HB2 LYS 30 8.343 7.362 -4.678 204 HG2 LYS 30 HG3 LYS 30 10.396 6.449 -4.910 205 HG3 LYS 30 HG2 LYS 30 10.544 6.175 -3.173 206 HD2 LYS 30 HD3 LYS 30 10.588 4.034 -4.363 207 HD3 LYS 30 HD2 LYS 30 9.123 4.154 -3.388 208 HE2 LYS 30 HE3 LYS 30 7.747 4.392 -5.234 209 HE3 LYS 30 HE2 LYS 30 9.015 5.131 -6.213 210 HZ1 LYS 30 HZ1 LYS 30 9.388 2.361 -5.357 211 HZ2 LYS 30 HZ2 LYS 30 9.873 3.125 -6.791 212 HZ3 LYS 30 HZ3 LYS 30 8.251 2.658 -6.584 213 H ASN 31 H ASN 31 6.454 7.004 -1.659 214 HA ASN 31 HA ASN 31 4.819 9.121 -2.664 215 HB2 ASN 31 HB3 ASN 31 4.061 6.861 -1.723 216 HB3 ASN 31 HB2 ASN 31 4.277 7.572 -0.123 217 HD21 ASN 31 HD22 ASN 31 1.804 7.175 -0.057 218 HD22 ASN 31 HD21 ASN 31 0.807 8.397 -0.683 219 H GLY 32 H GLY 32 6.792 8.795 0.217 220 HA2 GLY 32 HA3 GLY 32 7.674 10.748 1.367 221 HA3 GLY 32 HA2 GLY 32 6.261 11.659 0.828 222 H ALA 33 H ALA 33 5.193 8.669 1.739 223 HA ALA 33 HA ALA 33 3.837 9.655 4.071 224 HB1 ALA 33 HB1 ALA 33 3.606 6.991 4.374 225 HB2 ALA 33 HB2 ALA 33 4.099 7.037 2.681 226 HB3 ALA 33 HB3 ALA 33 2.648 7.895 3.202 227 H LYS 34 H LYS 34 4.175 9.023 6.288 228 HA LYS 34 HA LYS 34 6.857 9.122 7.194 229 HB2 LYS 34 HB3 LYS 34 4.787 9.637 8.546 230 HB3 LYS 34 HB2 LYS 34 4.517 7.900 8.681 231 HG2 LYS 34 HG3 LYS 34 7.065 7.941 9.482 232 HG3 LYS 34 HG2 LYS 34 6.637 9.592 9.930 233 HD2 LYS 34 HD3 LYS 34 5.079 7.123 10.752 234 HD3 LYS 34 HD2 LYS 34 6.233 7.972 11.782 235 HE2 LYS 34 HE3 LYS 34 4.638 10.038 10.945 236 HE3 LYS 34 HE2 LYS 34 3.475 8.716 11.041 237 HZ1 LYS 34 HZ1 LYS 34 4.377 8.255 13.299 238 HZ2 LYS 34 HZ2 LYS 34 3.577 9.744 13.161 239 HZ3 LYS 34 HZ3 LYS 34 5.275 9.692 13.188 240 H SER 35 H SER 35 4.721 6.300 7.730 241 HA SER 35 HA SER 35 6.910 4.528 6.807 242 HB2 SER 35 HB3 SER 35 6.921 3.233 8.847 243 HB3 SER 35 HB2 SER 35 7.181 4.920 9.281 244 HG SER 35 HG SER 35 5.134 5.050 10.018 245 H GLY 36 H GLY 36 6.121 2.189 6.819 246 HA2 GLY 36 HA3 GLY 36 3.179 1.950 6.538 247 HA3 GLY 36 HA2 GLY 36 4.180 1.501 5.157 248 H TYR 37 H TYR 37 2.444 -0.247 6.810 249 HA TYR 37 HA TYR 37 4.556 -2.124 7.814 250 HB2 TYR 37 HB3 TYR 37 1.713 -1.849 8.830 251 HB3 TYR 37 HB2 TYR 37 2.953 -2.927 9.469 252 HD1 TYR 37 HD1 TYR 37 1.889 0.595 9.130 253 HD2 TYR 37 HD2 TYR 37 4.768 -2.097 10.837 254 HE1 TYR 37 HE1 TYR 37 2.713 2.411 10.604 255 HE2 TYR 37 HE2 TYR 37 5.595 -0.280 12.309 256 HH TYR 37 HH TYR 37 4.018 2.332 13.065 257 H CYS 38 H CYS 38 4.492 -4.175 6.977 258 HA CYS 38 HA CYS 38 2.221 -4.816 5.136 259 HB2 CYS 38 HB3 CYS 38 4.715 -4.656 4.309 260 HB3 CYS 38 HB2 CYS 38 4.860 -6.245 5.061 261 H GLN 39 H GLN 39 0.847 -6.228 6.056 262 HA GLN 39 HA GLN 39 1.994 -8.482 7.638 263 HB2 GLN 39 HB3 GLN 39 -0.474 -6.854 8.322 264 HB3 GLN 39 HB2 GLN 39 0.056 -8.303 9.180 265 HG2 GLN 39 HG3 GLN 39 2.223 -7.191 9.677 266 HG3 GLN 39 HG2 GLN 39 1.635 -5.730 8.886 267 HE21 GLN 39 HE22 GLN 39 -1.106 -6.896 10.231 268 HE22 GLN 39 HE21 GLN 39 -1.041 -6.147 11.753 269 H ILE 40 H ILE 40 0.359 -10.347 7.743 270 HA ILE 40 HA ILE 40 -0.975 -10.506 5.086 271 HB ILE 40 HB ILE 40 -0.874 -12.940 5.381 272 HG12 ILE 40 HG13 ILE 40 0.585 -12.287 7.964 273 HG13 ILE 40 HG12 ILE 40 -1.053 -12.933 7.868 274 HG21 ILE 40 HG21 ILE 40 1.780 -11.579 5.953 275 HG22 ILE 40 HG22 ILE 40 1.035 -11.705 4.359 276 HG23 ILE 40 HG23 ILE 40 1.565 -13.161 5.204 277 HD11 ILE 40 HD11 ILE 40 0.197 -14.882 8.150 278 HD12 ILE 40 HD12 ILE 40 1.548 -14.272 7.194 279 HD13 ILE 40 HD13 ILE 40 0.067 -14.797 6.394 280 H LEU 41 H LEU 41 -3.076 -11.190 4.871 281 HA LEU 41 HA LEU 41 -4.697 -11.182 7.357 282 HB2 LEU 41 HB3 LEU 41 -5.527 -10.602 4.503 283 HB3 LEU 41 HB2 LEU 41 -6.536 -10.463 5.931 284 HG LEU 41 HG LEU 41 -4.043 -8.850 5.349 285 HD11 LEU 41 HD11 LEU 41 -5.631 -7.731 4.125 286 HD12 LEU 41 HD12 LEU 41 -6.018 -7.051 5.705 287 HD13 LEU 41 HD13 LEU 41 -6.970 -8.390 5.066 288 HD21 LEU 41 HD21 LEU 41 -5.076 -7.601 7.452 289 HD22 LEU 41 HD22 LEU 41 -4.002 -8.982 7.669 290 HD23 LEU 41 HD23 LEU 41 -5.749 -9.196 7.791 291 H GLY 42 H GLY 42 -6.121 -12.914 7.697 292 HA2 GLY 42 HA3 GLY 42 -5.492 -15.444 6.619 293 HA3 GLY 42 HA2 GLY 42 -7.019 -15.064 7.415 294 H THR 43 H THR 43 -7.676 -12.957 5.417 295 HA THR 43 HA THR 43 -8.756 -14.790 3.372 296 HB THR 43 HB THR 43 -9.310 -11.869 3.947 297 HG1 THR 43 HG1 THR 43 -10.041 -13.941 5.233 298 HG21 THR 43 HG21 THR 43 -9.904 -12.005 1.718 299 HG22 THR 43 HG22 THR 43 -11.388 -12.603 2.460 300 HG23 THR 43 HG23 THR 43 -10.213 -13.740 1.798 301 H TYR 44 H TYR 44 -7.622 -11.428 3.016 302 HA TYR 44 HA TYR 44 -6.842 -11.768 0.300 303 HB2 TYR 44 HB3 TYR 44 -5.903 -9.743 2.350 304 HB3 TYR 44 HB2 TYR 44 -5.604 -9.626 0.615 305 HD1 TYR 44 HD2 TYR 44 -7.496 -9.342 -0.972 306 HD2 TYR 44 HD1 TYR 44 -8.079 -9.288 3.284 307 HE1 TYR 44 HE2 TYR 44 -9.735 -8.326 -1.291 308 HE2 TYR 44 HE1 TYR 44 -10.318 -8.271 2.965 309 HH TYR 44 HH TYR 44 -11.928 -8.247 0.069 310 H GLY 45 H GLY 45 -4.925 -11.998 3.295 311 HA2 GLY 45 HA3 GLY 45 -3.038 -13.500 3.492 312 HA3 GLY 45 HA2 GLY 45 -2.888 -13.494 1.736 313 H ASN 46 H ASN 46 -3.090 -10.534 1.570 314 HA ASN 46 HA ASN 46 -0.620 -9.704 2.986 315 HB2 ASN 46 HB3 ASN 46 0.009 -10.532 0.713 316 HB3 ASN 46 HB2 ASN 46 -1.040 -9.295 0.017 317 HD21 ASN 46 HD22 ASN 46 1.715 -9.588 2.333 318 HD22 ASN 46 HD21 ASN 46 2.409 -8.095 1.920 319 H GLY 47 H GLY 47 -0.949 -7.745 3.908 320 HA2 GLY 47 HA3 GLY 47 -2.722 -5.796 2.524 321 HA3 GLY 47 HA2 GLY 47 -3.059 -6.193 4.211 322 H CYS 48 H CYS 48 -1.357 -4.088 2.207 323 HA CYS 48 HA CYS 48 0.574 -3.419 4.386 324 HB2 CYS 48 HB3 CYS 48 0.889 -3.652 1.551 325 HB3 CYS 48 HB2 CYS 48 1.147 -1.965 1.997 326 H TRP 49 H TRP 49 -0.081 -1.697 5.606 327 HA TRP 49 HA TRP 49 -1.804 0.346 4.280 328 HB2 TRP 49 HB3 TRP 49 -1.909 0.948 6.959 329 HB3 TRP 49 HB2 TRP 49 -3.103 -0.018 6.100 330 HD1 TRP 49 HD1 TRP 49 0.065 -0.409 8.222 331 HE1 TRP 49 HE1 TRP 49 0.030 -2.738 9.327 332 HE3 TRP 49 HE3 TRP 49 -4.115 -2.361 6.035 333 HZ2 TRP 49 HZ2 TRP 49 -1.567 -5.105 9.289 334 HZ3 TRP 49 HZ3 TRP 49 -4.870 -4.651 6.591 335 HH2 TRP 49 HH2 TRP 49 -3.602 -6.027 8.216 336 H CYS 50 H CYS 50 -1.031 2.363 4.014 337 HA CYS 50 HA CYS 50 1.641 2.979 5.198 338 HB2 CYS 50 HB3 CYS 50 1.194 3.029 2.632 339 HB3 CYS 50 HB2 CYS 50 0.326 4.528 2.964 340 H ILE 51 H ILE 51 1.610 4.407 6.872 341 HA ILE 51 HA ILE 51 -0.783 6.165 7.150 342 HB ILE 51 HB ILE 51 1.123 5.196 9.292 343 HG12 ILE 51 HG13 ILE 51 -1.699 4.301 8.623 344 HG13 ILE 51 HG12 ILE 51 -0.241 3.387 8.237 345 HG21 ILE 51 HG21 ILE 51 -1.434 5.973 10.268 346 HG22 ILE 51 HG22 ILE 51 -0.861 7.269 9.218 347 HG23 ILE 51 HG23 ILE 51 0.122 6.741 10.584 348 HD11 ILE 51 HD11 ILE 51 -0.871 2.428 10.266 349 HD12 ILE 51 HD12 ILE 51 -1.459 3.958 10.920 350 HD13 ILE 51 HD13 ILE 51 0.275 3.661 10.795 351 H ALA 52 H ALA 52 -0.500 8.332 7.165 352 HA ALA 52 HA ALA 52 1.858 9.675 8.086 353 HB1 ALA 52 HB1 ALA 52 2.556 8.568 5.825 354 HB2 ALA 52 HB2 ALA 52 2.966 10.261 6.103 355 HB3 ALA 52 HB3 ALA 52 1.581 9.843 5.096 356 H LEU 53 H LEU 53 -0.556 10.020 5.472 357 HA LEU 53 HA LEU 53 -1.463 12.546 6.789 358 HB2 LEU 53 HB3 LEU 53 -0.064 12.676 4.557 359 HB3 LEU 53 HB2 LEU 53 -1.598 12.224 3.812 360 HG LEU 53 HG LEU 53 -2.455 14.158 5.505 361 HD11 LEU 53 HD11 LEU 53 -0.843 16.020 5.427 362 HD12 LEU 53 HD12 LEU 53 0.329 14.979 4.619 363 HD13 LEU 53 HD13 LEU 53 -0.155 14.638 6.280 364 HD21 LEU 53 HD21 LEU 53 -2.010 15.706 3.411 365 HD22 LEU 53 HD22 LEU 53 -3.118 14.341 3.278 366 HD23 LEU 53 HD23 LEU 53 -1.469 14.201 2.670 367 HA PRO 54 HA PRO 54 -5.056 9.705 6.170 368 HB2 PRO 54 HB2 PRO 54 -6.250 10.243 8.578 369 HB3 PRO 54 HB3 PRO 54 -5.029 8.982 8.341 370 HG2 PRO 54 HG3 PRO 54 -4.776 11.643 9.588 371 HG3 PRO 54 HG2 PRO 54 -3.891 10.146 9.916 372 HD2 PRO 54 HD3 PRO 54 -2.921 12.316 8.447 373 HD3 PRO 54 HD2 PRO 54 -2.240 10.675 8.426 374 H ASP 55 H ASP 55 -4.736 13.074 6.720 375 HA ASP 55 HA ASP 55 -7.435 13.924 6.834 376 HB2 ASP 55 HB3 ASP 55 -5.388 15.382 7.090 377 HB3 ASP 55 HB2 ASP 55 -5.209 15.331 5.336 378 H ASN 56 H ASN 56 -5.441 13.013 4.038 379 HA ASN 56 HA ASN 56 -7.330 13.852 2.044 380 HB2 ASN 56 HB3 ASN 56 -5.159 11.742 1.949 381 HB3 ASN 56 HB2 ASN 56 -6.053 12.315 0.540 382 HD21 ASN 56 HD22 ASN 56 -3.219 12.679 0.739 383 HD22 ASN 56 HD21 ASN 56 -2.903 14.340 0.896 384 H VAL 57 H VAL 57 -6.834 10.755 3.712 385 HA VAL 57 HA VAL 57 -8.034 8.717 3.456 386 HB VAL 57 HB VAL 57 -10.600 9.386 3.943 387 HG11 VAL 57 HG11 VAL 57 -9.533 8.148 5.591 388 HG12 VAL 57 HG12 VAL 57 -9.705 9.698 6.413 389 HG13 VAL 57 HG13 VAL 57 -8.163 9.255 5.681 390 HG21 VAL 57 HG21 VAL 57 -10.195 11.798 3.573 391 HG22 VAL 57 HG22 VAL 57 -8.960 11.779 4.831 392 HG23 VAL 57 HG23 VAL 57 -10.645 11.481 5.246 393 HA PRO 58 HA PRO 58 -9.616 9.634 -0.827 394 HB2 PRO 58 HB2 PRO 58 -7.800 8.175 -2.216 395 HB3 PRO 58 HB3 PRO 58 -7.490 9.846 -1.708 396 HG2 PRO 58 HG3 PRO 58 -6.515 7.297 -0.534 397 HG3 PRO 58 HG2 PRO 58 -5.687 8.853 -0.709 398 HD2 PRO 58 HD3 PRO 58 -6.848 7.948 1.650 399 HD3 PRO 58 HD2 PRO 58 -6.510 9.653 1.281 400 H ILE 59 H ILE 59 -8.044 6.444 -0.335 401 HA ILE 59 HA ILE 59 -8.893 4.305 -0.898 402 HB ILE 59 HB ILE 59 -11.133 5.456 0.796 403 HG12 ILE 59 HG13 ILE 59 -8.749 3.758 1.596 404 HG13 ILE 59 HG12 ILE 59 -8.812 5.511 1.783 405 HG21 ILE 59 HG21 ILE 59 -12.121 3.504 0.117 406 HG22 ILE 59 HG22 ILE 59 -11.067 2.800 1.343 407 HG23 ILE 59 HG23 ILE 59 -10.587 2.774 -0.354 408 HD11 ILE 59 HD11 ILE 59 -11.161 4.088 2.858 409 HD12 ILE 59 HD12 ILE 59 -10.212 5.393 3.570 410 HD13 ILE 59 HD13 ILE 59 -9.648 3.727 3.687 411 H ARG 60 H ARG 60 -9.204 5.631 -3.146 412 HA ARG 60 HA ARG 60 -11.775 6.314 -4.064 413 HB2 ARG 60 HB3 ARG 60 -10.919 5.994 -6.305 414 HB3 ARG 60 HB2 ARG 60 -9.620 6.657 -5.313 415 HG2 ARG 60 HG3 ARG 60 -8.811 4.300 -4.933 416 HG3 ARG 60 HG2 ARG 60 -10.006 3.760 -6.115 417 HD2 ARG 60 HD3 ARG 60 -7.756 5.728 -6.622 418 HD3 ARG 60 HD2 ARG 60 -7.840 4.069 -7.216 419 HE ARG 60 HE ARG 60 -10.155 5.610 -8.031 420 HH11 ARG 60 HH22 ARG 60 -6.825 4.939 -8.622 421 HH12 ARG 60 HH21 ARG 60 -6.902 5.355 -10.302 422 HH21 ARG 60 HH11 ARG 60 -10.275 6.155 -10.221 423 HH22 ARG 60 HH12 ARG 60 -8.855 6.044 -11.207 424 H ILE 61 H ILE 61 -10.244 3.126 -3.851 425 HA ILE 61 HA ILE 61 -12.686 1.890 -4.989 426 HB ILE 61 HB ILE 61 -11.157 -0.241 -4.470 427 HG12 ILE 61 HG13 ILE 61 -8.776 0.324 -4.732 428 HG13 ILE 61 HG12 ILE 61 -9.173 2.042 -4.754 429 HG21 ILE 61 HG21 ILE 61 -10.948 1.759 -6.720 430 HG22 ILE 61 HG22 ILE 61 -11.809 0.220 -6.699 431 HG23 ILE 61 HG23 ILE 61 -10.046 0.244 -6.749 432 HD11 ILE 61 HD11 ILE 61 -9.709 2.084 -2.487 433 HD12 ILE 61 HD12 ILE 61 -8.413 0.889 -2.503 434 HD13 ILE 61 HD13 ILE 61 -10.095 0.364 -2.443 435 HA PRO 62 HA PRO 62 -14.421 0.792 -1.087 436 HB2 PRO 62 HB2 PRO 62 -15.292 -1.788 -1.618 437 HB3 PRO 62 HB3 PRO 62 -16.158 -0.313 -2.083 438 HG2 PRO 62 HG3 PRO 62 -14.424 -2.086 -3.715 439 HG3 PRO 62 HG2 PRO 62 -15.891 -1.203 -4.171 440 HD2 PRO 62 HD3 PRO 62 -13.401 -0.353 -4.873 441 HD3 PRO 62 HD2 PRO 62 -14.744 0.772 -4.567 442 H GLY 63 H GLY 63 -11.935 -1.199 -2.476 443 HA2 GLY 63 HA3 GLY 63 -10.274 -1.608 -0.409 444 HA3 GLY 63 HA2 GLY 63 -11.559 -2.740 0.013 445 H LYS 64 H LYS 64 -11.138 -2.260 -3.346 446 HA LYS 64 HA LYS 64 -10.051 -4.995 -3.592 447 HB2 LYS 64 HB3 LYS 64 -11.157 -3.068 -5.657 448 HB3 LYS 64 HB2 LYS 64 -10.601 -4.704 -6.011 449 HG2 LYS 64 HG3 LYS 64 -12.274 -5.617 -4.443 450 HG3 LYS 64 HG2 LYS 64 -12.833 -3.982 -4.089 451 HD2 LYS 64 HD3 LYS 64 -14.318 -4.944 -5.747 452 HD3 LYS 64 HD2 LYS 64 -13.350 -3.696 -6.531 453 HE2 LYS 64 HE3 LYS 64 -12.054 -5.241 -7.697 454 HE3 LYS 64 HE2 LYS 64 -12.359 -6.530 -6.531 455 HZ1 LYS 64 HZ1 LYS 64 -14.563 -6.775 -7.324 456 HZ2 LYS 64 HZ2 LYS 64 -13.555 -6.765 -8.686 457 HZ3 LYS 64 HZ3 LYS 64 -14.454 -5.380 -8.288 458 H CYS 65 H CYS 65 -8.199 -5.404 -4.994 459 HA CYS 65 HA CYS 65 -5.966 -3.749 -4.511 460 HB2 CYS 65 HB3 CYS 65 -6.023 -6.174 -5.357 461 HB3 CYS 65 HB2 CYS 65 -6.244 -5.487 -6.965 462 H HIS 66 H HIS 66 -8.261 -3.742 -7.208 463 HA HIS 66 HA HIS 66 -7.390 -1.014 -7.893 464 HB2 HIS 66 HB3 HIS 66 -5.890 -2.524 -9.217 465 HB3 HIS 66 HB2 HIS 66 -7.322 -3.218 -9.975 466 HD1 HIS 66 HD1 HIS 66 -5.880 0.282 -9.419 467 HD2 HIS 66 HD2 HIS 66 -8.003 -1.878 -12.288 468 HE1 HIS 66 HE1 HIS 66 -6.198 1.835 -11.397 469 HE2 HIS 66 HE2 HIS 66 -7.488 0.529 -13.148 Start of MODEL 8 1 H1 ALA 1 H1 ALA 1 -3.149 12.165 2.909 2 H2 ALA 1 H2 ALA 1 -2.206 11.772 1.552 3 H3 ALA 1 H3 ALA 1 -1.789 11.168 3.084 4 HA ALA 1 HA ALA 1 -4.463 10.470 2.397 5 HB1 ALA 1 HB1 ALA 1 -2.233 9.488 0.589 6 HB2 ALA 1 HB2 ALA 1 -3.532 10.575 0.098 7 HB3 ALA 1 HB3 ALA 1 -3.901 8.917 0.577 8 H ARG 2 H ARG 2 -4.698 8.109 2.863 9 HA ARG 2 HA ARG 2 -2.451 7.065 4.541 10 HB2 ARG 2 HB3 ARG 2 -4.305 7.960 5.948 11 HB3 ARG 2 HB2 ARG 2 -5.413 6.838 5.158 12 HG2 ARG 2 HG3 ARG 2 -4.062 4.936 5.952 13 HG3 ARG 2 HG2 ARG 2 -2.945 6.054 6.735 14 HD2 ARG 2 HD3 ARG 2 -4.486 5.261 8.419 15 HD3 ARG 2 HD2 ARG 2 -4.890 6.942 8.069 16 HE ARG 2 HE ARG 2 -6.943 6.206 7.150 17 HH11 ARG 2 HH22 ARG 2 -4.691 3.633 7.591 18 HH12 ARG 2 HH21 ARG 2 -5.840 2.388 7.230 19 HH21 ARG 2 HH11 ARG 2 -8.457 4.596 6.677 20 HH22 ARG 2 HH12 ARG 2 -7.972 2.933 6.712 21 H ASP 3 H ASP 3 -1.945 4.933 4.149 22 HA ASP 3 HA ASP 3 -3.540 3.544 2.067 23 HB2 ASP 3 HB3 ASP 3 -0.795 2.978 3.220 24 HB3 ASP 3 HB2 ASP 3 -1.574 1.995 1.983 25 H ALA 4 H ALA 4 -4.395 1.452 2.432 26 HA ALA 4 HA ALA 4 -4.539 0.654 5.307 27 HB1 ALA 4 HB1 ALA 4 -6.526 0.518 3.052 28 HB2 ALA 4 HB2 ALA 4 -6.747 1.149 4.684 29 HB3 ALA 4 HB3 ALA 4 -6.657 -0.591 4.417 30 H TYR 5 H TYR 5 -5.674 -1.381 2.708 31 HA TYR 5 HA TYR 5 -3.573 -3.355 3.448 32 HB2 TYR 5 HB3 TYR 5 -6.105 -3.716 1.812 33 HB3 TYR 5 HB2 TYR 5 -5.023 -5.003 2.339 34 HD1 TYR 5 HD2 TYR 5 -4.762 -5.496 4.783 35 HD2 TYR 5 HD1 TYR 5 -7.709 -2.743 3.302 36 HE1 TYR 5 HE2 TYR 5 -5.971 -5.627 6.944 37 HE2 TYR 5 HE1 TYR 5 -8.918 -2.874 5.463 38 HH TYR 5 HH TYR 5 -8.183 -3.459 7.946 39 H ILE 6 H ILE 6 -3.778 -0.925 1.364 40 HA ILE 6 HA ILE 6 -2.504 -2.431 -0.876 41 HB ILE 6 HB ILE 6 -3.247 -0.596 -2.340 42 HG12 ILE 6 HG13 ILE 6 -4.619 0.472 0.146 43 HG13 ILE 6 HG12 ILE 6 -3.196 1.191 -0.607 44 HG21 ILE 6 HG21 ILE 6 -5.246 -1.616 -2.624 45 HG22 ILE 6 HG22 ILE 6 -5.808 -1.119 -1.027 46 HG23 ILE 6 HG23 ILE 6 -4.829 -2.575 -1.204 47 HD11 ILE 6 HD11 ILE 6 -4.969 2.433 -1.528 48 HD12 ILE 6 HD12 ILE 6 -6.002 1.013 -1.685 49 HD13 ILE 6 HD13 ILE 6 -4.631 1.230 -2.772 50 H ALA 7 H ALA 7 -0.686 -1.367 -1.913 51 HA ALA 7 HA ALA 7 0.713 0.543 -0.089 52 HB1 ALA 7 HB1 ALA 7 1.681 -1.836 -0.656 53 HB2 ALA 7 HB2 ALA 7 2.755 -0.439 -0.664 54 HB3 ALA 7 HB3 ALA 7 2.130 -1.078 -2.184 55 H LYS 8 H LYS 8 -1.083 0.546 -2.765 56 HA LYS 8 HA LYS 8 0.535 2.679 -4.083 57 HB2 LYS 8 HB3 LYS 8 -1.495 1.554 -5.814 58 HB3 LYS 8 HB2 LYS 8 0.239 1.685 -6.088 59 HG2 LYS 8 HG3 LYS 8 -0.973 -0.494 -4.360 60 HG3 LYS 8 HG2 LYS 8 -0.704 -0.682 -6.088 61 HD2 LYS 8 HD3 LYS 8 1.576 0.318 -4.440 62 HD3 LYS 8 HD2 LYS 8 1.167 -1.396 -4.337 63 HE2 LYS 8 HE3 LYS 8 1.344 -1.606 -6.773 64 HE3 LYS 8 HE2 LYS 8 1.684 0.118 -6.914 65 HZ1 LYS 8 HZ1 LYS 8 3.810 -0.286 -6.516 66 HZ2 LYS 8 HZ2 LYS 8 3.491 -1.950 -6.448 67 HZ3 LYS 8 HZ3 LYS 8 3.434 -1.016 -5.029 68 HA PRO 9 HA PRO 9 -2.967 5.296 -3.484 69 HB2 PRO 9 HB2 PRO 9 -2.981 6.849 -5.720 70 HB3 PRO 9 HB3 PRO 9 -1.738 6.985 -4.461 71 HG2 PRO 9 HG3 PRO 9 -1.605 5.670 -7.118 72 HG3 PRO 9 HG2 PRO 9 -0.360 6.565 -6.234 73 HD2 PRO 9 HD3 PRO 9 -0.500 3.800 -6.368 74 HD3 PRO 9 HD2 PRO 9 0.341 4.703 -5.091 75 H HIS 10 H HIS 10 -3.033 4.462 -6.973 76 HA HIS 10 HA HIS 10 -5.964 4.001 -6.701 77 HB2 HIS 10 HB3 HIS 10 -4.278 4.482 -9.175 78 HB3 HIS 10 HB2 HIS 10 -6.028 4.266 -9.160 79 HD1 HIS 10 HD1 HIS 10 -3.336 6.729 -8.318 80 HD2 HIS 10 HD2 HIS 10 -7.494 6.479 -8.074 81 HE1 HIS 10 HE1 HIS 10 -4.167 9.068 -7.809 82 HE2 HIS 10 HE2 HIS 10 -6.696 8.927 -7.658 83 H ASN 11 H ASN 11 -3.066 2.320 -6.862 84 HA ASN 11 HA ASN 11 -4.395 -0.053 -8.113 85 HB2 ASN 11 HB3 ASN 11 -1.434 0.554 -7.846 86 HB3 ASN 11 HB2 ASN 11 -2.131 -0.863 -8.630 87 HD21 ASN 11 HD22 ASN 11 -1.474 2.565 -8.999 88 HD22 ASN 11 HD21 ASN 11 -2.021 2.693 -10.600 89 H CYS 12 H CYS 12 -3.691 -2.171 -7.151 90 HA CYS 12 HA CYS 12 -3.361 -1.901 -4.194 91 HB2 CYS 12 HB3 CYS 12 -4.514 -4.288 -5.643 92 HB3 CYS 12 HB2 CYS 12 -4.662 -3.881 -3.934 93 H VAL 13 H VAL 13 -2.431 -4.124 -3.295 94 HA VAL 13 HA VAL 13 0.056 -4.639 -4.856 95 HB VAL 13 HB VAL 13 -0.566 -5.313 -1.964 96 HG11 VAL 13 HG11 VAL 13 1.910 -5.545 -1.825 97 HG12 VAL 13 HG12 VAL 13 2.011 -5.269 -3.564 98 HG13 VAL 13 HG13 VAL 13 1.195 -6.704 -2.945 99 HG21 VAL 13 HG21 VAL 13 1.414 -3.233 -2.451 100 HG22 VAL 13 HG22 VAL 13 0.002 -3.203 -1.394 101 HG23 VAL 13 HG23 VAL 13 -0.164 -2.786 -3.100 102 H TYR 14 H TYR 14 0.373 -6.623 -5.760 103 HA TYR 14 HA TYR 14 -1.755 -8.602 -5.662 104 HB2 TYR 14 HB3 TYR 14 -0.440 -9.837 -7.241 105 HB3 TYR 14 HB2 TYR 14 -0.238 -8.136 -7.653 106 HD1 TYR 14 HD2 TYR 14 1.832 -6.915 -6.939 107 HD2 TYR 14 HD1 TYR 14 1.405 -11.164 -6.481 108 HE1 TYR 14 HE2 TYR 14 4.285 -7.129 -6.644 109 HE2 TYR 14 HE1 TYR 14 3.858 -11.379 -6.187 110 HH TYR 14 HH TYR 14 5.770 -9.533 -5.302 111 H GLU 15 H GLU 15 1.443 -8.256 -4.224 112 HA GLU 15 HA GLU 15 0.815 -9.962 -2.010 113 HB2 GLU 15 HB3 GLU 15 1.064 -11.701 -3.817 114 HB3 GLU 15 HB2 GLU 15 2.732 -11.169 -4.028 115 HG2 GLU 15 HG3 GLU 15 3.159 -11.660 -1.622 116 HG3 GLU 15 HG2 GLU 15 1.517 -12.291 -1.488 117 H CYS 16 H CYS 16 1.804 -8.383 -0.744 118 HA CYS 16 HA CYS 16 4.287 -7.120 -1.415 119 HB2 CYS 16 HB3 CYS 16 3.381 -5.836 0.222 120 HB3 CYS 16 HB2 CYS 16 2.462 -7.186 0.889 121 H PHE 17 H PHE 17 6.115 -8.303 -1.676 122 HA PHE 17 HA PHE 17 6.634 -10.832 -0.462 123 HB2 PHE 17 HB3 PHE 17 8.079 -10.585 -2.213 124 HB3 PHE 17 HB2 PHE 17 8.156 -8.833 -2.028 125 HD1 PHE 17 HD1 PHE 17 9.380 -12.051 -0.597 126 HD2 PHE 17 HD2 PHE 17 9.935 -7.799 -0.848 127 HE1 PHE 17 HE1 PHE 17 11.567 -12.268 0.554 128 HE2 PHE 17 HE2 PHE 17 12.119 -8.015 0.304 129 HZ PHE 17 HZ PHE 17 12.936 -10.250 1.005 130 H ASP 18 H ASP 18 8.373 -11.254 1.191 131 HA ASP 18 HA ASP 18 7.909 -10.054 3.643 132 HB2 ASP 18 HB3 ASP 18 9.353 -12.069 3.283 133 HB3 ASP 18 HB2 ASP 18 10.636 -11.003 2.709 134 H ALA 19 H ALA 19 7.854 -7.873 3.944 135 HA ALA 19 HA ALA 19 9.933 -6.186 2.675 136 HB1 ALA 19 HB1 ALA 19 7.385 -5.510 4.169 137 HB2 ALA 19 HB2 ALA 19 7.667 -5.372 2.434 138 HB3 ALA 19 HB3 ALA 19 8.510 -4.299 3.554 139 H PHE 20 H PHE 20 10.544 -7.982 4.969 140 HA PHE 20 HA PHE 20 10.708 -6.618 7.429 141 HB2 PHE 20 HB3 PHE 20 11.371 -9.005 7.060 142 HB3 PHE 20 HB2 PHE 20 12.831 -8.438 6.252 143 HD1 PHE 20 HD1 PHE 20 11.008 -8.522 9.477 144 HD2 PHE 20 HD2 PHE 20 14.685 -7.532 7.490 145 HE1 PHE 20 HE1 PHE 20 12.126 -8.259 11.676 146 HE2 PHE 20 HE2 PHE 20 15.803 -7.270 9.688 147 HZ PHE 20 HZ PHE 20 14.523 -7.633 11.782 148 H SER 21 H SER 21 12.993 -6.559 4.679 149 HA SER 21 HA SER 21 14.827 -4.724 5.899 150 HB2 SER 21 HB3 SER 21 14.250 -5.077 2.945 151 HB3 SER 21 HB2 SER 21 15.710 -4.393 3.652 152 HG SER 21 HG SER 21 15.026 -6.863 4.636 153 H SER 22 H SER 22 12.149 -4.209 3.602 154 HA SER 22 HA SER 22 10.864 -2.045 4.577 155 HB2 SER 22 HB3 SER 22 13.576 -1.184 3.640 156 HB3 SER 22 HB2 SER 22 12.214 -0.110 3.344 157 HG SER 22 HG SER 22 13.094 0.350 5.356 158 H TYR 23 H TYR 23 10.981 -4.126 2.370 159 HA TYR 23 HA TYR 23 10.886 -2.883 -0.181 160 HB2 TYR 23 HB3 TYR 23 10.880 -5.356 0.211 161 HB3 TYR 23 HB2 TYR 23 9.204 -5.227 0.744 162 HD1 TYR 23 HD1 TYR 23 11.493 -4.854 -2.140 163 HD2 TYR 23 HD2 TYR 23 7.406 -4.851 -0.818 164 HE1 TYR 23 HE1 TYR 23 10.730 -4.938 -4.498 165 HE2 TYR 23 HE2 TYR 23 6.643 -4.936 -3.177 166 HH TYR 23 HH TYR 23 7.345 -5.398 -5.319 167 H CYS 24 H CYS 24 8.115 -3.716 1.933 168 HA CYS 24 HA CYS 24 6.234 -2.210 0.352 169 HB2 CYS 24 HB3 CYS 24 5.442 -3.967 1.845 170 HB3 CYS 24 HB2 CYS 24 6.105 -3.122 3.243 171 H ASN 25 H ASN 25 8.092 -1.488 3.286 172 HA ASN 25 HA ASN 25 7.011 1.094 3.794 173 HB2 ASN 25 HB3 ASN 25 9.861 0.149 4.244 174 HB3 ASN 25 HB2 ASN 25 9.076 1.510 5.048 175 HD21 ASN 25 HD22 ASN 25 6.886 -1.065 4.501 176 HD22 ASN 25 HD21 ASN 25 6.934 -1.744 6.056 177 H GLY 26 H GLY 26 9.612 0.001 1.663 178 HA2 GLY 26 HA3 GLY 26 10.535 2.582 0.857 179 HA3 GLY 26 HA2 GLY 26 10.727 1.100 -0.082 180 H VAL 27 H VAL 27 7.952 0.473 -0.382 181 HA VAL 27 HA VAL 27 7.319 1.989 -2.705 182 HB VAL 27 HB VAL 27 5.564 0.308 -0.896 183 HG11 VAL 27 HG11 VAL 27 4.136 0.281 -3.086 184 HG12 VAL 27 HG12 VAL 27 4.983 1.782 -3.457 185 HG13 VAL 27 HG13 VAL 27 3.997 1.664 -1.999 186 HG21 VAL 27 HG21 VAL 27 7.575 -0.341 -2.760 187 HG22 VAL 27 HG22 VAL 27 6.050 -0.653 -3.589 188 HG23 VAL 27 HG23 VAL 27 6.395 -1.444 -2.051 189 H CYS 28 H CYS 28 6.011 2.220 0.608 190 HA CYS 28 HA CYS 28 4.354 4.510 -0.016 191 HB2 CYS 28 HB3 CYS 28 5.146 3.037 2.442 192 HB3 CYS 28 HB2 CYS 28 4.652 4.717 2.659 193 H THR 29 H THR 29 7.669 4.077 1.070 194 HA THR 29 HA THR 29 8.259 6.657 2.022 195 HB THR 29 HB THR 29 10.050 4.958 0.258 196 HG1 THR 29 HG1 THR 29 10.644 4.617 2.761 197 HG21 THR 29 HG21 THR 29 11.521 6.623 0.611 198 HG22 THR 29 HG22 THR 29 11.473 6.230 2.329 199 HG23 THR 29 HG23 THR 29 10.390 7.458 1.675 200 H LYS 30 H LYS 30 8.385 5.461 -1.330 201 HA LYS 30 HA LYS 30 9.095 7.983 -2.498 202 HB2 LYS 30 HB3 LYS 30 7.717 5.528 -3.619 203 HB3 LYS 30 HB2 LYS 30 8.183 6.913 -4.611 204 HG2 LYS 30 HG3 LYS 30 10.373 6.336 -4.582 205 HG3 LYS 30 HG2 LYS 30 10.339 5.983 -2.854 206 HD2 LYS 30 HD3 LYS 30 9.609 3.776 -3.188 207 HD3 LYS 30 HD2 LYS 30 9.041 4.112 -4.826 208 HE2 LYS 30 HE3 LYS 30 11.246 4.194 -5.692 209 HE3 LYS 30 HE2 LYS 30 11.959 4.350 -4.087 210 HZ1 LYS 30 HZ1 LYS 30 10.711 1.963 -5.309 211 HZ2 LYS 30 HZ2 LYS 30 10.966 2.085 -3.637 212 HZ3 LYS 30 HZ3 LYS 30 12.289 2.132 -4.702 213 H ASN 31 H ASN 31 6.006 6.432 -1.769 214 HA ASN 31 HA ASN 31 4.287 8.290 -3.070 215 HB2 ASN 31 HB3 ASN 31 3.659 6.062 -1.969 216 HB3 ASN 31 HB2 ASN 31 3.671 6.935 -0.435 217 HD21 ASN 31 HD22 ASN 31 1.221 5.987 -0.973 218 HD22 ASN 31 HD21 ASN 31 0.186 7.175 -1.603 219 H GLY 32 H GLY 32 6.080 8.457 -0.075 220 HA2 GLY 32 HA3 GLY 32 6.667 10.653 0.845 221 HA3 GLY 32 HA2 GLY 32 5.108 11.256 0.276 222 H ALA 33 H ALA 33 4.514 8.237 1.440 223 HA ALA 33 HA ALA 33 3.101 9.186 3.749 224 HB1 ALA 33 HB1 ALA 33 3.760 6.379 3.957 225 HB2 ALA 33 HB2 ALA 33 3.282 6.766 2.305 226 HB3 ALA 33 HB3 ALA 33 2.193 7.126 3.646 227 H LYS 34 H LYS 34 3.668 9.046 5.961 228 HA LYS 34 HA LYS 34 6.409 9.436 6.620 229 HB2 LYS 34 HB3 LYS 34 4.454 10.153 8.024 230 HB3 LYS 34 HB2 LYS 34 4.226 8.466 8.483 231 HG2 LYS 34 HG3 LYS 34 6.918 8.835 8.953 232 HG3 LYS 34 HG2 LYS 34 6.241 10.398 9.406 233 HD2 LYS 34 HD3 LYS 34 5.202 7.726 10.400 234 HD3 LYS 34 HD2 LYS 34 6.292 8.776 11.308 235 HE2 LYS 34 HE3 LYS 34 4.239 10.484 10.509 236 HE3 LYS 34 HE2 LYS 34 3.406 8.992 10.943 237 HZ1 LYS 34 HZ1 LYS 34 5.001 10.786 12.612 238 HZ2 LYS 34 HZ2 LYS 34 5.057 9.128 12.966 239 HZ3 LYS 34 HZ3 LYS 34 3.570 9.948 12.979 240 H SER 35 H SER 35 4.342 6.559 7.222 241 HA SER 35 HA SER 35 6.789 4.897 6.999 242 HB2 SER 35 HB3 SER 35 4.868 4.755 9.339 243 HB3 SER 35 HB2 SER 35 6.228 3.671 9.061 244 HG SER 35 HG SER 35 6.745 6.403 9.014 245 H GLY 36 H GLY 36 6.279 2.591 6.733 246 HA2 GLY 36 HA3 GLY 36 3.481 2.028 5.919 247 HA3 GLY 36 HA2 GLY 36 4.775 1.705 4.770 248 H TYR 37 H TYR 37 2.839 -0.076 6.377 249 HA TYR 37 HA TYR 37 4.950 -1.948 7.369 250 HB2 TYR 37 HB3 TYR 37 2.226 -1.475 8.614 251 HB3 TYR 37 HB2 TYR 37 3.415 -2.658 9.159 252 HD1 TYR 37 HD2 TYR 37 5.595 -1.902 10.106 253 HD2 TYR 37 HD1 TYR 37 2.458 0.863 9.122 254 HE1 TYR 37 HE2 TYR 37 6.704 -0.158 11.477 255 HE2 TYR 37 HE1 TYR 37 3.567 2.608 10.494 256 HH TYR 37 HH TYR 37 5.714 2.072 12.761 257 H CYS 38 H CYS 38 4.731 -4.034 6.640 258 HA CYS 38 HA CYS 38 2.389 -4.587 4.883 259 HB2 CYS 38 HB3 CYS 38 4.554 -4.779 3.775 260 HB3 CYS 38 HB2 CYS 38 5.124 -5.889 5.020 261 H GLN 39 H GLN 39 0.962 -6.129 5.486 262 HA GLN 39 HA GLN 39 1.773 -8.091 7.581 263 HB2 GLN 39 HB3 GLN 39 -0.462 -7.810 8.641 264 HB3 GLN 39 HB2 GLN 39 0.500 -6.338 8.724 265 HG2 GLN 39 HG3 GLN 39 -1.534 -6.873 6.541 266 HG3 GLN 39 HG2 GLN 39 -1.911 -5.993 8.018 267 HE21 GLN 39 HE22 GLN 39 1.097 -4.985 7.805 268 HE22 GLN 39 HE21 GLN 39 0.960 -3.689 6.719 269 H ILE 40 H ILE 40 -0.035 -9.859 7.711 270 HA ILE 40 HA ILE 40 -0.603 -10.656 4.913 271 HB ILE 40 HB ILE 40 -1.037 -12.888 5.873 272 HG12 ILE 40 HG13 ILE 40 -0.363 -11.550 8.516 273 HG13 ILE 40 HG12 ILE 40 -1.970 -12.098 8.038 274 HG21 ILE 40 HG21 ILE 40 1.430 -11.486 5.830 275 HG22 ILE 40 HG22 ILE 40 1.182 -13.229 5.718 276 HG23 ILE 40 HG23 ILE 40 1.434 -12.472 7.292 277 HD11 ILE 40 HD11 ILE 40 -0.900 -14.406 7.684 278 HD12 ILE 40 HD12 ILE 40 -1.094 -13.872 9.352 279 HD13 ILE 40 HD13 ILE 40 0.485 -13.774 8.573 280 H LEU 41 H LEU 41 -2.700 -10.990 4.165 281 HA LEU 41 HA LEU 41 -4.826 -9.531 5.341 282 HB2 LEU 41 HB3 LEU 41 -4.990 -11.886 3.436 283 HB3 LEU 41 HB2 LEU 41 -6.259 -10.701 3.724 284 HG LEU 41 HG LEU 41 -3.515 -10.126 2.575 285 HD11 LEU 41 HD11 LEU 41 -4.533 -9.944 0.495 286 HD12 LEU 41 HD12 LEU 41 -6.118 -9.597 1.186 287 HD13 LEU 41 HD13 LEU 41 -5.488 -11.245 1.207 288 HD21 LEU 41 HD21 LEU 41 -4.838 -7.860 2.149 289 HD22 LEU 41 HD22 LEU 41 -4.009 -8.143 3.680 290 HD23 LEU 41 HD23 LEU 41 -5.751 -8.391 3.562 291 H GLY 42 H GLY 42 -3.849 -12.901 5.654 292 HA2 GLY 42 HA3 GLY 42 -4.539 -13.605 8.116 293 HA3 GLY 42 HA2 GLY 42 -6.159 -13.459 7.429 294 H THR 43 H THR 43 -6.207 -14.592 5.107 295 HA THR 43 HA THR 43 -5.208 -17.353 5.565 296 HB THR 43 HB THR 43 -7.053 -16.865 3.315 297 HG1 THR 43 HG1 THR 43 -7.576 -16.010 5.899 298 HG21 THR 43 HG21 THR 43 -8.014 -18.901 4.065 299 HG22 THR 43 HG22 THR 43 -7.362 -18.702 5.691 300 HG23 THR 43 HG23 THR 43 -6.283 -19.087 4.350 301 H TYR 44 H TYR 44 -5.915 -15.447 2.640 302 HA TYR 44 HA TYR 44 -3.175 -16.114 1.649 303 HB2 TYR 44 HB3 TYR 44 -5.735 -16.134 0.022 304 HB3 TYR 44 HB2 TYR 44 -4.116 -16.467 -0.593 305 HD1 TYR 44 HD1 TYR 44 -2.844 -18.463 0.277 306 HD2 TYR 44 HD2 TYR 44 -6.995 -17.807 1.166 307 HE1 TYR 44 HE1 TYR 44 -3.075 -20.839 0.950 308 HE2 TYR 44 HE2 TYR 44 -7.225 -20.184 1.839 309 HH TYR 44 HH TYR 44 -6.048 -22.055 2.402 310 H GLY 45 H GLY 45 -2.254 -14.509 0.246 311 HA2 GLY 45 HA3 GLY 45 -2.246 -12.396 -0.904 312 HA3 GLY 45 HA2 GLY 45 -3.796 -12.011 -0.156 313 H ASN 46 H ASN 46 -2.035 -10.016 -0.017 314 HA ASN 46 HA ASN 46 -1.234 -10.015 2.835 315 HB2 ASN 46 HB3 ASN 46 0.549 -9.866 0.517 316 HB3 ASN 46 HB2 ASN 46 0.744 -8.507 1.621 317 HD21 ASN 46 HD22 ASN 46 -0.320 -11.716 2.709 318 HD22 ASN 46 HD21 ASN 46 1.084 -12.071 3.595 319 H GLY 47 H GLY 47 -0.777 -7.695 3.564 320 HA2 GLY 47 HA3 GLY 47 -2.207 -5.686 1.899 321 HA3 GLY 47 HA2 GLY 47 -2.744 -5.943 3.559 322 H CYS 48 H CYS 48 -1.564 -3.519 2.341 323 HA CYS 48 HA CYS 48 0.681 -3.184 4.270 324 HB2 CYS 48 HB3 CYS 48 0.695 -2.806 1.339 325 HB3 CYS 48 HB2 CYS 48 1.359 -1.452 2.253 326 H TRP 49 H TRP 49 0.253 -1.470 5.618 327 HA TRP 49 HA TRP 49 -1.601 0.646 4.609 328 HB2 TRP 49 HB3 TRP 49 -2.614 0.826 6.732 329 HB3 TRP 49 HB2 TRP 49 -2.435 -0.913 6.516 330 HD1 TRP 49 HD1 TRP 49 -0.558 2.034 8.172 331 HE1 TRP 49 HE1 TRP 49 0.687 1.124 10.239 332 HE3 TRP 49 HE3 TRP 49 -1.645 -2.929 7.735 333 HZ2 TRP 49 HZ2 TRP 49 1.159 -1.385 11.535 334 HZ3 TRP 49 HZ3 TRP 49 -0.789 -4.559 9.394 335 HH2 TRP 49 HH2 TRP 49 0.609 -3.794 11.294 336 H CYS 50 H CYS 50 -0.963 2.769 4.958 337 HA CYS 50 HA CYS 50 1.607 3.166 6.429 338 HB2 CYS 50 HB3 CYS 50 0.801 4.495 3.823 339 HB3 CYS 50 HB2 CYS 50 2.286 4.804 4.723 340 H ILE 51 H ILE 51 1.729 5.080 7.621 341 HA ILE 51 HA ILE 51 -0.830 6.604 7.820 342 HB ILE 51 HB ILE 51 1.313 6.298 9.940 343 HG12 ILE 51 HG13 ILE 51 0.367 4.106 9.555 344 HG13 ILE 51 HG12 ILE 51 -0.377 4.754 11.016 345 HG21 ILE 51 HG21 ILE 51 -0.799 8.105 9.676 346 HG22 ILE 51 HG22 ILE 51 0.071 7.731 11.164 347 HG23 ILE 51 HG23 ILE 51 -1.420 6.874 10.775 348 HD11 ILE 51 HD11 ILE 51 -1.571 4.429 8.276 349 HD12 ILE 51 HD12 ILE 51 -2.207 5.655 9.373 350 HD13 ILE 51 HD13 ILE 51 -2.233 3.954 9.839 351 H ALA 52 H ALA 52 -0.727 8.833 7.602 352 HA ALA 52 HA ALA 52 1.720 10.326 7.935 353 HB1 ALA 52 HB1 ALA 52 0.822 10.301 5.077 354 HB2 ALA 52 HB2 ALA 52 1.873 9.010 5.654 355 HB3 ALA 52 HB3 ALA 52 2.408 10.688 5.747 356 H LEU 53 H LEU 53 -0.842 10.787 5.499 357 HA LEU 53 HA LEU 53 -1.880 13.040 7.169 358 HB2 LEU 53 HB3 LEU 53 -2.173 13.416 4.265 359 HB3 LEU 53 HB2 LEU 53 -1.622 14.549 5.494 360 HG LEU 53 HG LEU 53 0.056 12.312 4.329 361 HD11 LEU 53 HD11 LEU 53 1.281 14.566 3.534 362 HD12 LEU 53 HD12 LEU 53 -0.379 15.160 3.572 363 HD13 LEU 53 HD13 LEU 53 0.041 13.778 2.559 364 HD21 LEU 53 HD21 LEU 53 0.308 13.794 6.718 365 HD22 LEU 53 HD22 LEU 53 1.459 14.512 5.593 366 HD23 LEU 53 HD23 LEU 53 1.546 12.790 5.962 367 HA PRO 54 HA PRO 54 -5.255 10.016 6.139 368 HB2 PRO 54 HB2 PRO 54 -6.256 10.981 8.750 369 HB3 PRO 54 HB3 PRO 54 -6.012 9.319 8.184 370 HG2 PRO 54 HG3 PRO 54 -4.419 10.475 10.014 371 HG3 PRO 54 HG2 PRO 54 -3.835 9.265 8.860 372 HD2 PRO 54 HD3 PRO 54 -3.427 12.227 8.849 373 HD3 PRO 54 HD2 PRO 54 -2.344 10.935 8.289 374 H ASP 55 H ASP 55 -5.173 13.360 7.125 375 HA ASP 55 HA ASP 55 -7.915 14.043 6.801 376 HB2 ASP 55 HB3 ASP 55 -5.409 15.678 6.317 377 HB3 ASP 55 HB2 ASP 55 -7.038 16.354 6.345 378 H ASN 56 H ASN 56 -5.298 13.715 4.437 379 HA ASN 56 HA ASN 56 -6.765 14.819 2.222 380 HB2 ASN 56 HB3 ASN 56 -4.246 14.426 2.361 381 HB3 ASN 56 HB2 ASN 56 -4.590 12.728 2.031 382 HD21 ASN 56 HD22 ASN 56 -3.084 13.951 0.105 383 HD22 ASN 56 HD21 ASN 56 -4.012 14.301 -1.274 384 H VAL 57 H VAL 57 -8.358 13.917 1.027 385 HA VAL 57 HA VAL 57 -9.886 11.735 1.621 386 HB VAL 57 HB VAL 57 -9.062 12.496 -1.194 387 HG11 VAL 57 HG11 VAL 57 -11.628 11.738 -1.391 388 HG12 VAL 57 HG12 VAL 57 -11.163 10.736 -0.015 389 HG13 VAL 57 HG13 VAL 57 -10.301 10.586 -1.547 390 HG21 VAL 57 HG21 VAL 57 -11.626 13.490 -0.276 391 HG22 VAL 57 HG22 VAL 57 -10.257 14.391 -0.930 392 HG23 VAL 57 HG23 VAL 57 -10.336 14.036 0.796 393 HA PRO 58 HA PRO 58 -6.674 8.580 0.838 394 HB2 PRO 58 HB2 PRO 58 -7.183 6.985 2.928 395 HB3 PRO 58 HB3 PRO 58 -6.383 8.554 3.154 396 HG2 PRO 58 HG3 PRO 58 -9.183 7.764 3.723 397 HG3 PRO 58 HG2 PRO 58 -8.132 8.906 4.574 398 HD2 PRO 58 HD3 PRO 58 -10.117 9.555 2.654 399 HD3 PRO 58 HD2 PRO 58 -8.890 10.653 3.323 400 H ILE 59 H ILE 59 -6.839 6.370 0.065 401 HA ILE 59 HA ILE 59 -7.965 4.805 -1.296 402 HB ILE 59 HB ILE 59 -9.696 4.807 1.193 403 HG12 ILE 59 HG13 ILE 59 -7.324 3.066 0.447 404 HG13 ILE 59 HG12 ILE 59 -7.239 4.437 1.555 405 HG21 ILE 59 HG21 ILE 59 -9.542 2.237 0.076 406 HG22 ILE 59 HG22 ILE 59 -9.817 3.311 -1.296 407 HG23 ILE 59 HG23 ILE 59 -10.944 3.308 0.061 408 HD11 ILE 59 HD11 ILE 59 -9.214 3.230 2.782 409 HD12 ILE 59 HD12 ILE 59 -7.567 2.647 3.025 410 HD13 ILE 59 HD13 ILE 59 -8.646 1.804 1.913 411 H ARG 60 H ARG 60 -8.644 7.162 -2.329 412 HA ARG 60 HA ARG 60 -11.360 7.979 -2.196 413 HB2 ARG 60 HB3 ARG 60 -10.962 9.106 -4.303 414 HB3 ARG 60 HB2 ARG 60 -9.491 9.229 -3.337 415 HG2 ARG 60 HG3 ARG 60 -8.633 7.179 -4.538 416 HG3 ARG 60 HG2 ARG 60 -10.030 7.298 -5.608 417 HD2 ARG 60 HD3 ARG 60 -7.904 9.421 -5.207 418 HD3 ARG 60 HD2 ARG 60 -8.109 8.409 -6.637 419 HE ARG 60 HE ARG 60 -9.764 10.724 -5.911 420 HH11 ARG 60 HH22 ARG 60 -9.396 7.803 -7.706 421 HH12 ARG 60 HH21 ARG 60 -10.562 8.240 -8.910 422 HH21 ARG 60 HH11 ARG 60 -11.289 11.311 -7.474 423 HH22 ARG 60 HH12 ARG 60 -11.634 10.226 -8.779 424 H ILE 61 H ILE 61 -9.789 5.444 -4.086 425 HA ILE 61 HA ILE 61 -11.948 4.843 -5.833 426 HB ILE 61 HB ILE 61 -10.859 2.678 -6.139 427 HG12 ILE 61 HG13 ILE 61 -9.435 3.418 -3.568 428 HG13 ILE 61 HG12 ILE 61 -10.487 2.030 -3.842 429 HG21 ILE 61 HG21 ILE 61 -8.990 3.555 -7.108 430 HG22 ILE 61 HG22 ILE 61 -8.461 4.332 -5.617 431 HG23 ILE 61 HG23 ILE 61 -9.698 5.093 -6.616 432 HD11 ILE 61 HD11 ILE 61 -8.538 0.923 -4.238 433 HD12 ILE 61 HD12 ILE 61 -7.648 2.411 -4.563 434 HD13 ILE 61 HD13 ILE 61 -8.641 1.683 -5.826 435 HA PRO 62 HA PRO 62 -15.031 3.128 -3.154 436 HB2 PRO 62 HB2 PRO 62 -15.949 1.053 -4.774 437 HB3 PRO 62 HB3 PRO 62 -16.486 2.740 -4.867 438 HG2 PRO 62 HG3 PRO 62 -14.536 1.279 -6.555 439 HG3 PRO 62 HG2 PRO 62 -15.682 2.557 -6.992 440 HD2 PRO 62 HD3 PRO 62 -13.024 3.033 -6.700 441 HD3 PRO 62 HD2 PRO 62 -14.254 4.257 -6.319 442 H GLY 63 H GLY 63 -12.200 1.566 -3.865 443 HA2 GLY 63 HA3 GLY 63 -11.189 0.022 -2.286 444 HA3 GLY 63 HA2 GLY 63 -12.802 -0.569 -1.889 445 H LYS 64 H LYS 64 -12.594 -0.152 -5.196 446 HA LYS 64 HA LYS 64 -12.110 -3.060 -5.570 447 HB2 LYS 64 HB3 LYS 64 -13.497 -1.013 -7.326 448 HB3 LYS 64 HB2 LYS 64 -13.243 -2.700 -7.777 449 HG2 LYS 64 HG3 LYS 64 -14.527 -3.424 -5.795 450 HG3 LYS 64 HG2 LYS 64 -14.786 -1.737 -5.349 451 HD2 LYS 64 HD3 LYS 64 -16.756 -2.529 -6.529 452 HD3 LYS 64 HD2 LYS 64 -15.907 -1.381 -7.564 453 HE2 LYS 64 HE3 LYS 64 -15.193 -3.020 -9.034 454 HE3 LYS 64 HE2 LYS 64 -15.193 -4.278 -7.799 455 HZ1 LYS 64 HZ1 LYS 64 -17.008 -4.661 -9.276 456 HZ2 LYS 64 HZ2 LYS 64 -17.562 -3.066 -9.112 457 HZ3 LYS 64 HZ3 LYS 64 -17.648 -4.133 -7.792 458 H CYS 65 H CYS 65 -10.183 -3.612 -6.424 459 HA CYS 65 HA CYS 65 -8.241 -1.687 -7.259 460 HB2 CYS 65 HB3 CYS 65 -8.380 -4.660 -7.810 461 HB3 CYS 65 HB2 CYS 65 -6.945 -3.654 -7.997 462 H HIS 66 H HIS 66 -10.801 -3.305 -8.974 463 HA HIS 66 HA HIS 66 -11.430 -3.241 -11.236 464 HB2 HIS 66 HB3 HIS 66 -9.964 -0.628 -10.866 465 HB3 HIS 66 HB2 HIS 66 -10.659 -1.073 -12.423 466 HD1 HIS 66 HD1 HIS 66 -11.551 0.215 -9.078 467 HD2 HIS 66 HD2 HIS 66 -13.564 -1.443 -12.336 468 HE1 HIS 66 HE1 HIS 66 -14.012 0.724 -8.738 469 HE2 HIS 66 HE2 HIS 66 -15.244 -0.280 -10.714 Start of MODEL 9 1 H1 ALA 1 H1 ALA 1 -0.781 10.323 2.127 2 H2 ALA 1 H2 ALA 1 -1.053 11.583 3.234 3 H3 ALA 1 H3 ALA 1 -1.622 11.712 1.637 4 HA ALA 1 HA ALA 1 -3.284 11.099 3.477 5 HB1 ALA 1 HB1 ALA 1 -4.476 9.602 1.881 6 HB2 ALA 1 HB2 ALA 1 -3.000 9.487 0.921 7 HB3 ALA 1 HB3 ALA 1 -3.825 11.037 1.089 8 H ARG 2 H ARG 2 -4.268 8.421 3.222 9 HA ARG 2 HA ARG 2 -2.152 6.860 4.649 10 HB2 ARG 2 HB3 ARG 2 -3.828 7.795 6.244 11 HB3 ARG 2 HB2 ARG 2 -5.099 6.948 5.362 12 HG2 ARG 2 HG3 ARG 2 -3.916 4.794 5.800 13 HG3 ARG 2 HG2 ARG 2 -2.738 5.674 6.773 14 HD2 ARG 2 HD3 ARG 2 -4.613 6.487 8.219 15 HD3 ARG 2 HD2 ARG 2 -5.713 5.460 7.299 16 HE ARG 2 HE ARG 2 -3.486 3.924 8.301 17 HH11 ARG 2 HH22 ARG 2 -6.445 5.477 9.153 18 HH12 ARG 2 HH21 ARG 2 -6.779 4.409 10.474 19 HH21 ARG 2 HH11 ARG 2 -3.905 2.521 10.020 20 HH22 ARG 2 HH12 ARG 2 -5.340 2.736 10.966 21 H ASP 3 H ASP 3 -1.965 4.758 3.975 22 HA ASP 3 HA ASP 3 -3.874 3.850 1.880 23 HB2 ASP 3 HB3 ASP 3 -1.072 2.928 2.563 24 HB3 ASP 3 HB2 ASP 3 -2.080 2.196 1.319 25 H ALA 4 H ALA 4 -4.629 1.604 1.999 26 HA ALA 4 HA ALA 4 -4.757 0.640 4.820 27 HB1 ALA 4 HB1 ALA 4 -6.689 0.499 2.516 28 HB2 ALA 4 HB2 ALA 4 -6.960 1.109 4.148 29 HB3 ALA 4 HB3 ALA 4 -6.816 -0.626 3.869 30 H TYR 5 H TYR 5 -5.761 -1.323 2.107 31 HA TYR 5 HA TYR 5 -3.678 -3.301 2.880 32 HB2 TYR 5 HB3 TYR 5 -5.943 -3.746 0.931 33 HB3 TYR 5 HB2 TYR 5 -5.065 -4.946 1.881 34 HD1 TYR 5 HD2 TYR 5 -5.469 -5.180 4.305 35 HD2 TYR 5 HD1 TYR 5 -7.704 -2.409 1.902 36 HE1 TYR 5 HE2 TYR 5 -7.142 -4.956 6.123 37 HE2 TYR 5 HE1 TYR 5 -9.380 -2.186 3.719 38 HH TYR 5 HH TYR 5 -9.429 -2.495 6.220 39 H ILE 6 H ILE 6 -4.278 -0.961 0.502 40 HA ILE 6 HA ILE 6 -2.507 -2.362 -1.448 41 HB ILE 6 HB ILE 6 -4.379 -0.023 -1.900 42 HG12 ILE 6 HG13 ILE 6 -4.661 -2.953 -2.640 43 HG13 ILE 6 HG12 ILE 6 -5.568 -2.133 -1.367 44 HG21 ILE 6 HG21 ILE 6 -3.622 -1.576 -4.221 45 HG22 ILE 6 HG22 ILE 6 -2.188 -0.960 -3.398 46 HG23 ILE 6 HG23 ILE 6 -3.444 0.154 -3.936 47 HD11 ILE 6 HD11 ILE 6 -6.503 -0.576 -3.038 48 HD12 ILE 6 HD12 ILE 6 -6.892 -2.248 -3.440 49 HD13 ILE 6 HD13 ILE 6 -5.607 -1.407 -4.309 50 H ALA 7 H ALA 7 -0.505 -1.513 -1.783 51 HA ALA 7 HA ALA 7 0.147 1.031 -0.400 52 HB1 ALA 7 HB1 ALA 7 1.474 -1.450 -0.669 53 HB2 ALA 7 HB2 ALA 7 2.073 0.003 0.131 54 HB3 ALA 7 HB3 ALA 7 2.428 -0.275 -1.575 55 H LYS 8 H LYS 8 -0.476 -0.163 -3.526 56 HA LYS 8 HA LYS 8 1.097 2.025 -4.785 57 HB2 LYS 8 HB3 LYS 8 -0.339 0.165 -6.559 58 HB3 LYS 8 HB2 LYS 8 1.344 0.684 -6.605 59 HG2 LYS 8 HG3 LYS 8 0.218 -1.373 -4.674 60 HG3 LYS 8 HG2 LYS 8 1.143 -1.744 -6.125 61 HD2 LYS 8 HD3 LYS 8 2.485 0.229 -4.434 62 HD3 LYS 8 HD2 LYS 8 2.216 -1.305 -3.606 63 HE2 LYS 8 HE3 LYS 8 3.372 -2.530 -5.305 64 HE3 LYS 8 HE2 LYS 8 3.390 -1.138 -6.388 65 HZ1 LYS 8 HZ1 LYS 8 4.590 -0.192 -4.159 66 HZ2 LYS 8 HZ2 LYS 8 5.401 -0.758 -5.537 67 HZ3 LYS 8 HZ3 LYS 8 5.152 -1.795 -4.213 68 HA PRO 9 HA PRO 9 -2.509 4.449 -5.487 69 HB2 PRO 9 HB2 PRO 9 -2.023 5.398 -8.044 70 HB3 PRO 9 HB3 PRO 9 -1.310 6.064 -6.563 71 HG2 PRO 9 HG3 PRO 9 -0.135 4.214 -8.565 72 HG3 PRO 9 HG2 PRO 9 0.631 5.514 -7.635 73 HD2 PRO 9 HD3 PRO 9 0.939 2.883 -7.001 74 HD3 PRO 9 HD2 PRO 9 0.970 4.171 -5.777 75 H HIS 10 H HIS 10 -1.681 2.229 -8.146 76 HA HIS 10 HA HIS 10 -4.610 1.827 -8.561 77 HB2 HIS 10 HB3 HIS 10 -2.517 1.858 -10.752 78 HB3 HIS 10 HB2 HIS 10 -4.258 1.667 -10.960 79 HD1 HIS 10 HD1 HIS 10 -5.752 3.790 -10.226 80 HD2 HIS 10 HD2 HIS 10 -1.662 4.510 -10.626 81 HE1 HIS 10 HE1 HIS 10 -5.475 6.306 -10.358 82 HE2 HIS 10 HE2 HIS 10 -2.990 6.754 -10.601 83 H ASN 11 H ASN 11 -1.763 0.420 -7.637 84 HA ASN 11 HA ASN 11 -2.701 -2.273 -8.552 85 HB2 ASN 11 HB3 ASN 11 0.171 -1.390 -8.141 86 HB3 ASN 11 HB2 ASN 11 -0.365 -2.977 -8.696 87 HD21 ASN 11 HD22 ASN 11 0.060 0.395 -9.653 88 HD22 ASN 11 HD21 ASN 11 -0.265 0.157 -11.302 89 H CYS 12 H CYS 12 -1.964 -4.045 -7.061 90 HA CYS 12 HA CYS 12 -1.905 -3.070 -4.231 91 HB2 CYS 12 HB3 CYS 12 -2.984 -5.708 -5.266 92 HB3 CYS 12 HB2 CYS 12 -3.099 -5.097 -3.616 93 H VAL 13 H VAL 13 -0.699 -4.492 -2.722 94 HA VAL 13 HA VAL 13 1.879 -5.220 -3.799 95 HB VAL 13 HB VAL 13 0.665 -5.894 -1.101 96 HG11 VAL 13 HG11 VAL 13 3.384 -6.161 -2.318 97 HG12 VAL 13 HG12 VAL 13 2.558 -7.222 -1.177 98 HG13 VAL 13 HG13 VAL 13 3.277 -5.713 -0.616 99 HG21 VAL 13 HG21 VAL 13 0.681 -3.605 -0.961 100 HG22 VAL 13 HG22 VAL 13 1.851 -3.432 -2.270 101 HG23 VAL 13 HG23 VAL 13 2.399 -3.860 -0.649 102 H TYR 14 H TYR 14 2.554 -7.184 -4.563 103 HA TYR 14 HA TYR 14 0.601 -9.315 -4.887 104 HB2 TYR 14 HB3 TYR 14 2.281 -10.440 -6.154 105 HB3 TYR 14 HB2 TYR 14 2.485 -8.726 -6.513 106 HD1 TYR 14 HD1 TYR 14 4.308 -7.421 -5.407 107 HD2 TYR 14 HD2 TYR 14 3.968 -11.682 -4.983 108 HE1 TYR 14 HE1 TYR 14 6.651 -7.528 -4.601 109 HE2 TYR 14 HE2 TYR 14 6.311 -11.788 -4.176 110 HH TYR 14 HH TYR 14 8.372 -8.906 -4.133 111 H GLU 15 H GLU 15 3.547 -8.875 -2.935 112 HA GLU 15 HA GLU 15 2.554 -10.457 -0.767 113 HB2 GLU 15 HB3 GLU 15 2.963 -12.298 -2.433 114 HB3 GLU 15 HB2 GLU 15 4.664 -11.840 -2.450 115 HG2 GLU 15 HG3 GLU 15 4.759 -12.222 0.011 116 HG3 GLU 15 HG2 GLU 15 3.087 -12.780 -0.040 117 H CYS 16 H CYS 16 3.436 -8.895 0.587 118 HA CYS 16 HA CYS 16 6.083 -7.804 0.244 119 HB2 CYS 16 HB3 CYS 16 4.750 -6.411 1.540 120 HB3 CYS 16 HB2 CYS 16 4.006 -7.756 2.403 121 H PHE 17 H PHE 17 7.564 -9.533 0.088 122 HA PHE 17 HA PHE 17 7.647 -11.762 1.870 123 HB2 PHE 17 HB3 PHE 17 9.769 -12.259 0.908 124 HB3 PHE 17 HB2 PHE 17 8.835 -11.501 -0.382 125 HD1 PHE 17 HD2 PHE 17 9.134 -8.992 -0.786 126 HD2 PHE 17 HD1 PHE 17 11.801 -11.311 1.654 127 HE1 PHE 17 HE2 PHE 17 10.861 -7.225 -0.995 128 HE2 PHE 17 HE1 PHE 17 13.528 -9.545 1.446 129 HZ PHE 17 HZ PHE 17 13.057 -7.502 0.123 130 H ASP 18 H ASP 18 9.344 -8.625 1.964 131 HA ASP 18 HA ASP 18 9.610 -8.926 4.876 132 HB2 ASP 18 HB3 ASP 18 11.649 -10.027 3.813 133 HB3 ASP 18 HB2 ASP 18 12.095 -8.422 3.233 134 H ALA 19 H ALA 19 8.263 -7.044 4.926 135 HA ALA 19 HA ALA 19 8.851 -4.634 3.485 136 HB1 ALA 19 HB1 ALA 19 7.570 -3.733 5.718 137 HB2 ALA 19 HB2 ALA 19 7.092 -5.431 5.727 138 HB3 ALA 19 HB3 ALA 19 6.742 -4.422 4.323 139 H PHE 20 H PHE 20 10.063 -5.995 6.473 140 HA PHE 20 HA PHE 20 11.150 -3.708 7.706 141 HB2 PHE 20 HB3 PHE 20 11.153 -6.015 8.677 142 HB3 PHE 20 HB2 PHE 20 12.443 -6.448 7.554 143 HD1 PHE 20 HD1 PHE 20 11.543 -4.272 10.421 144 HD2 PHE 20 HD2 PHE 20 14.707 -5.720 7.901 145 HE1 PHE 20 HE1 PHE 20 13.220 -3.318 11.979 146 HE2 PHE 20 HE2 PHE 20 16.384 -4.765 9.459 147 HZ PHE 20 HZ PHE 20 15.641 -3.564 11.498 148 H SER 21 H SER 21 12.479 -5.697 5.066 149 HA SER 21 HA SER 21 15.028 -4.460 4.916 150 HB2 SER 21 HB3 SER 21 13.374 -5.496 2.598 151 HB3 SER 21 HB2 SER 21 15.122 -5.292 2.628 152 HG SER 21 HG SER 21 15.230 -7.176 3.530 153 H SER 22 H SER 22 12.005 -3.631 3.203 154 HA SER 22 HA SER 22 11.942 -0.928 3.369 155 HB2 SER 22 HB3 SER 22 14.219 -1.726 1.607 156 HB3 SER 22 HB2 SER 22 13.251 -0.340 1.119 157 HG SER 22 HG SER 22 13.588 0.120 3.580 158 H TYR 23 H TYR 23 11.073 -3.712 1.878 159 HA TYR 23 HA TYR 23 10.168 -2.962 -0.691 160 HB2 TYR 23 HB3 TYR 23 10.122 -5.291 0.211 161 HB3 TYR 23 HB2 TYR 23 8.743 -4.835 1.214 162 HD1 TYR 23 HD1 TYR 23 9.917 -5.411 -2.235 163 HD2 TYR 23 HD2 TYR 23 6.565 -4.364 0.237 164 HE1 TYR 23 HE1 TYR 23 8.390 -5.765 -4.156 165 HE2 TYR 23 HE2 TYR 23 5.038 -4.718 -1.682 166 HH TYR 23 HH TYR 23 6.292 -5.743 -4.864 167 H CYS 24 H CYS 24 7.778 -3.465 1.887 168 HA CYS 24 HA CYS 24 5.863 -1.720 0.735 169 HB2 CYS 24 HB3 CYS 24 5.564 -3.493 2.597 170 HB3 CYS 24 HB2 CYS 24 6.040 -2.207 3.706 171 H ASN 25 H ASN 25 8.165 -1.110 3.394 172 HA ASN 25 HA ASN 25 7.435 1.597 3.850 173 HB2 ASN 25 HB3 ASN 25 10.151 0.272 4.106 174 HB3 ASN 25 HB2 ASN 25 9.736 1.851 4.774 175 HD21 ASN 25 HD22 ASN 25 6.957 -0.008 4.931 176 HD22 ASN 25 HD21 ASN 25 7.117 -0.599 6.514 177 H GLY 26 H GLY 26 9.584 0.120 1.467 178 HA2 GLY 26 HA3 GLY 26 10.765 2.503 0.451 179 HA3 GLY 26 HA2 GLY 26 10.543 1.019 -0.479 180 H VAL 27 H VAL 27 7.711 0.862 -0.374 181 HA VAL 27 HA VAL 27 6.998 2.580 -2.543 182 HB VAL 27 HB VAL 27 5.266 1.046 -0.584 183 HG11 VAL 27 HG11 VAL 27 4.620 2.753 -2.963 184 HG12 VAL 27 HG12 VAL 27 3.732 2.561 -1.451 185 HG13 VAL 27 HG13 VAL 27 3.663 1.299 -2.681 186 HG21 VAL 27 HG21 VAL 27 6.114 0.467 -3.442 187 HG22 VAL 27 HG22 VAL 27 5.096 -0.564 -2.436 188 HG23 VAL 27 HG23 VAL 27 6.787 -0.309 -2.008 189 H CYS 28 H CYS 28 6.313 2.773 0.945 190 HA CYS 28 HA CYS 28 4.766 5.187 0.801 191 HB2 CYS 28 HB3 CYS 28 6.380 3.922 3.027 192 HB3 CYS 28 HB2 CYS 28 5.468 5.414 3.253 193 H THR 29 H THR 29 8.222 4.552 0.902 194 HA THR 29 HA THR 29 9.139 7.135 1.630 195 HB THR 29 HB THR 29 10.439 5.252 -0.357 196 HG1 THR 29 HG1 THR 29 9.954 4.197 1.581 197 HG21 THR 29 HG21 THR 29 12.157 6.699 -0.332 198 HG22 THR 29 HG22 THR 29 12.210 6.652 1.430 199 HG23 THR 29 HG23 THR 29 11.164 7.810 0.610 200 H LYS 30 H LYS 30 8.347 5.815 -1.587 201 HA LYS 30 HA LYS 30 9.048 8.173 -3.050 202 HB2 LYS 30 HB3 LYS 30 6.883 6.164 -3.739 203 HB3 LYS 30 HB2 LYS 30 7.722 7.235 -4.861 204 HG2 LYS 30 HG3 LYS 30 9.045 5.056 -3.215 205 HG3 LYS 30 HG2 LYS 30 8.638 4.928 -4.926 206 HD2 LYS 30 HD3 LYS 30 10.052 7.071 -5.226 207 HD3 LYS 30 HD2 LYS 30 10.682 6.718 -3.615 208 HE2 LYS 30 HE3 LYS 30 10.871 4.265 -4.818 209 HE3 LYS 30 HE2 LYS 30 11.201 5.348 -6.171 210 HZ1 LYS 30 HZ1 LYS 30 13.020 4.582 -4.351 211 HZ2 LYS 30 HZ2 LYS 30 12.518 6.069 -3.705 212 HZ3 LYS 30 HZ3 LYS 30 13.133 5.996 -5.288 213 H ASN 31 H ASN 31 5.978 7.081 -1.639 214 HA ASN 31 HA ASN 31 4.430 9.342 -2.489 215 HB2 ASN 31 HB3 ASN 31 4.077 7.492 -0.109 216 HB3 ASN 31 HB2 ASN 31 2.865 8.644 -0.672 217 HD21 ASN 31 HD22 ASN 31 2.311 5.842 -0.661 218 HD22 ASN 31 HD21 ASN 31 2.196 5.307 -2.268 219 H GLY 32 H GLY 32 6.589 8.784 0.217 220 HA2 GLY 32 HA3 GLY 32 7.686 10.608 1.375 221 HA3 GLY 32 HA2 GLY 32 6.340 11.660 0.928 222 H ALA 33 H ALA 33 5.084 8.731 1.861 223 HA ALA 33 HA ALA 33 3.880 9.779 4.238 224 HB1 ALA 33 HB1 ALA 33 3.547 7.138 4.590 225 HB2 ALA 33 HB2 ALA 33 3.999 7.127 2.885 226 HB3 ALA 33 HB3 ALA 33 2.597 8.054 3.420 227 H LYS 34 H LYS 34 4.251 9.090 6.451 228 HA LYS 34 HA LYS 34 6.945 9.172 7.294 229 HB2 LYS 34 HB3 LYS 34 4.908 9.603 8.721 230 HB3 LYS 34 HB2 LYS 34 4.665 7.857 8.795 231 HG2 LYS 34 HG3 LYS 34 7.227 7.893 9.535 232 HG3 LYS 34 HG2 LYS 34 6.810 9.529 10.041 233 HD2 LYS 34 HD3 LYS 34 5.254 7.050 10.834 234 HD3 LYS 34 HD2 LYS 34 6.474 7.825 11.846 235 HE2 LYS 34 HE3 LYS 34 4.791 9.917 11.039 236 HE3 LYS 34 HE2 LYS 34 3.701 8.583 11.421 237 HZ1 LYS 34 HZ1 LYS 34 4.003 9.532 13.468 238 HZ2 LYS 34 HZ2 LYS 34 5.608 9.983 13.161 239 HZ3 LYS 34 HZ3 LYS 34 5.232 8.358 13.489 240 H SER 35 H SER 35 4.879 6.292 7.792 241 HA SER 35 HA SER 35 7.074 4.595 6.753 242 HB2 SER 35 HB3 SER 35 7.398 4.889 9.232 243 HB3 SER 35 HB2 SER 35 5.824 4.138 9.474 244 HG SER 35 HG SER 35 7.007 2.520 7.881 245 H GLY 36 H GLY 36 6.323 2.246 6.675 246 HA2 GLY 36 HA3 GLY 36 3.373 2.023 6.389 247 HA3 GLY 36 HA2 GLY 36 4.403 1.540 5.042 248 H TYR 37 H TYR 37 2.610 -0.197 6.542 249 HA TYR 37 HA TYR 37 4.638 -2.116 7.617 250 HB2 TYR 37 HB3 TYR 37 1.833 -1.704 8.684 251 HB3 TYR 37 HB2 TYR 37 3.041 -2.819 9.320 252 HD1 TYR 37 HD1 TYR 37 5.033 -1.985 10.502 253 HD2 TYR 37 HD2 TYR 37 1.991 0.688 9.067 254 HE1 TYR 37 HE1 TYR 37 5.961 -0.170 11.915 255 HE2 TYR 37 HE2 TYR 37 2.918 2.502 10.482 256 HH TYR 37 HH TYR 37 4.708 3.130 11.724 257 H CYS 38 H CYS 38 4.319 -4.272 7.021 258 HA CYS 38 HA CYS 38 1.992 -4.801 5.217 259 HB2 CYS 38 HB3 CYS 38 3.333 -5.777 3.618 260 HB3 CYS 38 HB2 CYS 38 4.479 -4.601 4.255 261 H GLN 39 H GLN 39 0.797 -6.514 5.843 262 HA GLN 39 HA GLN 39 2.091 -8.654 7.449 263 HB2 GLN 39 HB3 GLN 39 -0.467 -7.221 8.229 264 HB3 GLN 39 HB2 GLN 39 0.182 -8.650 9.033 265 HG2 GLN 39 HG3 GLN 39 2.286 -7.375 9.497 266 HG3 GLN 39 HG2 GLN 39 1.515 -5.937 8.826 267 HE21 GLN 39 HE22 GLN 39 0.550 -4.643 10.389 268 HE22 GLN 39 HE21 GLN 39 -0.074 -5.195 11.868 269 H ILE 40 H ILE 40 -0.855 -9.523 7.921 270 HA ILE 40 HA ILE 40 -1.023 -11.028 5.381 271 HB ILE 40 HB ILE 40 -2.541 -12.503 6.560 272 HG12 ILE 40 HG13 ILE 40 -2.425 -10.456 8.805 273 HG13 ILE 40 HG12 ILE 40 -3.826 -10.777 7.783 274 HG21 ILE 40 HG21 ILE 40 -1.084 -13.260 8.347 275 HG22 ILE 40 HG22 ILE 40 -0.329 -11.670 8.460 276 HG23 ILE 40 HG23 ILE 40 -0.079 -12.666 7.026 277 HD11 ILE 40 HD11 ILE 40 -2.981 -13.288 8.769 278 HD12 ILE 40 HD12 ILE 40 -4.443 -12.403 9.203 279 HD13 ILE 40 HD13 ILE 40 -2.968 -12.184 10.145 280 H LEU 41 H LEU 41 -3.004 -11.136 4.176 281 HA LEU 41 HA LEU 41 -4.481 -8.594 4.198 282 HB2 LEU 41 HB3 LEU 41 -3.661 -9.699 2.077 283 HB3 LEU 41 HB2 LEU 41 -4.841 -10.978 2.362 284 HG LEU 41 HG LEU 41 -6.642 -9.258 2.391 285 HD11 LEU 41 HD11 LEU 41 -5.873 -7.161 2.843 286 HD12 LEU 41 HD12 LEU 41 -5.599 -7.081 1.103 287 HD13 LEU 41 HD13 LEU 41 -4.273 -7.504 2.186 288 HD21 LEU 41 HD21 LEU 41 -6.187 -8.577 -0.145 289 HD22 LEU 41 HD22 LEU 41 -6.552 -10.245 0.298 290 HD23 LEU 41 HD23 LEU 41 -4.882 -9.751 0.024 291 H GLY 42 H GLY 42 -6.622 -8.382 4.828 292 HA2 GLY 42 HA3 GLY 42 -7.772 -10.046 6.731 293 HA3 GLY 42 HA2 GLY 42 -8.732 -9.010 5.674 294 H THR 43 H THR 43 -7.985 -10.347 3.208 295 HA THR 43 HA THR 43 -9.643 -12.790 3.548 296 HB THR 43 HB THR 43 -9.821 -12.653 1.027 297 HG1 THR 43 HG1 THR 43 -8.580 -10.147 1.493 298 HG21 THR 43 HG21 THR 43 -11.517 -11.010 1.094 299 HG22 THR 43 HG22 THR 43 -10.668 -10.060 2.312 300 HG23 THR 43 HG23 THR 43 -11.423 -11.591 2.756 301 H TYR 44 H TYR 44 -7.629 -12.472 0.760 302 HA TYR 44 HA TYR 44 -5.794 -14.574 1.849 303 HB2 TYR 44 HB3 TYR 44 -6.853 -14.294 -0.981 304 HB3 TYR 44 HB2 TYR 44 -5.699 -15.512 -0.436 305 HD1 TYR 44 HD2 TYR 44 -6.394 -17.180 1.326 306 HD2 TYR 44 HD1 TYR 44 -9.194 -14.550 -0.598 307 HE1 TYR 44 HE2 TYR 44 -8.265 -18.624 2.075 308 HE2 TYR 44 HE1 TYR 44 -11.065 -15.995 0.151 309 HH TYR 44 HH TYR 44 -11.648 -17.809 1.279 310 H GLY 45 H GLY 45 -3.593 -14.384 1.227 311 HA2 GLY 45 HA3 GLY 45 -1.754 -13.361 0.061 312 HA3 GLY 45 HA2 GLY 45 -2.842 -12.084 -0.483 313 H ASN 46 H ASN 46 -1.078 -10.638 0.289 314 HA ASN 46 HA ASN 46 -1.116 -10.272 3.241 315 HB2 ASN 46 HB3 ASN 46 0.976 -9.519 1.185 316 HB3 ASN 46 HB2 ASN 46 1.057 -9.101 2.891 317 HD21 ASN 46 HD22 ASN 46 0.217 -11.447 4.144 318 HD22 ASN 46 HD21 ASN 46 1.270 -12.721 3.761 319 H GLY 47 H GLY 47 -0.849 -7.916 3.897 320 HA2 GLY 47 HA3 GLY 47 -2.115 -6.077 1.901 321 HA3 GLY 47 HA2 GLY 47 -2.740 -6.170 3.548 322 H CYS 48 H CYS 48 -1.618 -3.803 2.280 323 HA CYS 48 HA CYS 48 0.592 -3.316 4.212 324 HB2 CYS 48 HB3 CYS 48 0.791 -3.326 1.321 325 HB3 CYS 48 HB2 CYS 48 1.174 -1.731 1.967 326 H TRP 49 H TRP 49 0.030 -1.605 5.470 327 HA TRP 49 HA TRP 49 -1.793 0.445 4.295 328 HB2 TRP 49 HB3 TRP 49 -1.901 0.935 6.970 329 HB3 TRP 49 HB2 TRP 49 -3.037 -0.109 6.120 330 HD1 TRP 49 HD1 TRP 49 -0.006 -0.205 8.416 331 HE1 TRP 49 HE1 TRP 49 0.225 -2.578 9.397 332 HE3 TRP 49 HE3 TRP 49 -3.579 -2.636 5.697 333 HZ2 TRP 49 HZ2 TRP 49 -0.953 -5.162 9.073 334 HZ3 TRP 49 HZ3 TRP 49 -4.004 -5.050 6.054 335 HH2 TRP 49 HH2 TRP 49 -2.697 -6.315 7.737 336 H CYS 50 H CYS 50 -1.096 2.540 4.240 337 HA CYS 50 HA CYS 50 1.632 3.066 5.353 338 HB2 CYS 50 HB3 CYS 50 1.160 3.206 2.802 339 HB3 CYS 50 HB2 CYS 50 0.311 4.703 3.191 340 H ILE 51 H ILE 51 1.729 4.524 6.994 341 HA ILE 51 HA ILE 51 -0.637 6.296 7.411 342 HB ILE 51 HB ILE 51 1.315 5.232 9.469 343 HG12 ILE 51 HG13 ILE 51 -1.584 4.482 8.979 344 HG13 ILE 51 HG12 ILE 51 -0.213 3.520 8.427 345 HG21 ILE 51 HG21 ILE 51 0.444 6.805 10.822 346 HG22 ILE 51 HG22 ILE 51 -1.164 6.130 10.554 347 HG23 ILE 51 HG23 ILE 51 -0.555 7.405 9.498 348 HD11 ILE 51 HD11 ILE 51 -0.926 2.588 10.527 349 HD12 ILE 51 HD12 ILE 51 -0.959 4.180 11.286 350 HD13 ILE 51 HD13 ILE 51 0.581 3.452 10.830 351 H ALA 52 H ALA 52 -0.294 8.462 7.543 352 HA ALA 52 HA ALA 52 2.200 9.665 8.331 353 HB1 ALA 52 HB1 ALA 52 1.579 10.084 5.416 354 HB2 ALA 52 HB2 ALA 52 2.605 8.742 5.925 355 HB3 ALA 52 HB3 ALA 52 3.083 10.402 6.282 356 H LEU 53 H LEU 53 -0.527 10.253 6.099 357 HA LEU 53 HA LEU 53 -1.229 12.639 7.758 358 HB2 LEU 53 HB3 LEU 53 -0.104 13.312 5.616 359 HB3 LEU 53 HB2 LEU 53 -1.397 12.500 4.732 360 HG LEU 53 HG LEU 53 -2.660 14.152 6.654 361 HD11 LEU 53 HD11 LEU 53 -0.471 15.351 6.787 362 HD12 LEU 53 HD12 LEU 53 -1.762 16.361 6.137 363 HD13 LEU 53 HD13 LEU 53 -0.566 15.653 5.052 364 HD21 LEU 53 HD21 LEU 53 -2.268 14.323 3.654 365 HD22 LEU 53 HD22 LEU 53 -3.359 15.389 4.540 366 HD23 LEU 53 HD23 LEU 53 -3.648 13.650 4.521 367 HA PRO 54 HA PRO 54 -4.730 9.566 7.371 368 HB2 PRO 54 HB2 PRO 54 -5.345 10.793 9.993 369 HB3 PRO 54 HB3 PRO 54 -5.269 9.083 9.534 370 HG2 PRO 54 HG3 PRO 54 -3.376 10.249 11.031 371 HG3 PRO 54 HG2 PRO 54 -3.016 8.949 9.884 372 HD2 PRO 54 HD3 PRO 54 -2.470 11.874 9.643 373 HD3 PRO 54 HD2 PRO 54 -1.560 10.495 8.987 374 H ASP 55 H ASP 55 -4.548 13.003 7.968 375 HA ASP 55 HA ASP 55 -7.237 13.754 8.108 376 HB2 ASP 55 HB3 ASP 55 -4.981 15.049 6.545 377 HB3 ASP 55 HB2 ASP 55 -6.544 15.815 6.830 378 H ASN 56 H ASN 56 -5.376 12.649 5.335 379 HA ASN 56 HA ASN 56 -7.842 12.767 3.663 380 HB2 ASN 56 HB3 ASN 56 -4.912 12.602 2.925 381 HB3 ASN 56 HB2 ASN 56 -6.228 12.496 1.753 382 HD21 ASN 56 HD22 ASN 56 -7.285 14.544 4.182 383 HD22 ASN 56 HD21 ASN 56 -6.835 16.031 3.498 384 H VAL 57 H VAL 57 -8.817 10.822 3.255 385 HA VAL 57 HA VAL 57 -7.121 8.380 3.231 386 HB VAL 57 HB VAL 57 -9.774 8.591 4.683 387 HG11 VAL 57 HG11 VAL 57 -8.701 6.323 5.578 388 HG12 VAL 57 HG12 VAL 57 -7.885 6.370 4.015 389 HG13 VAL 57 HG13 VAL 57 -9.647 6.357 4.090 390 HG21 VAL 57 HG21 VAL 57 -7.996 7.966 6.603 391 HG22 VAL 57 HG22 VAL 57 -8.393 9.637 6.200 392 HG23 VAL 57 HG23 VAL 57 -6.935 8.894 5.543 393 HA PRO 58 HA PRO 58 -10.251 8.349 -0.191 394 HB2 PRO 58 HB2 PRO 58 -8.810 9.194 -2.260 395 HB3 PRO 58 HB3 PRO 58 -9.362 10.360 -1.038 396 HG2 PRO 58 HG3 PRO 58 -6.669 9.166 -1.433 397 HG3 PRO 58 HG2 PRO 58 -7.114 10.804 -0.924 398 HD2 PRO 58 HD3 PRO 58 -6.378 8.655 0.779 399 HD3 PRO 58 HD2 PRO 58 -7.087 10.206 1.283 400 H ILE 59 H ILE 59 -10.434 6.677 -1.814 401 HA ILE 59 HA ILE 59 -8.056 4.913 -2.106 402 HB ILE 59 HB ILE 59 -10.931 4.005 -1.774 403 HG12 ILE 59 HG13 ILE 59 -8.618 3.604 0.130 404 HG13 ILE 59 HG12 ILE 59 -9.708 4.983 0.270 405 HG21 ILE 59 HG21 ILE 59 -8.405 2.349 -1.687 406 HG22 ILE 59 HG22 ILE 59 -9.270 2.637 -3.193 407 HG23 ILE 59 HG23 ILE 59 -10.067 1.791 -1.866 408 HD11 ILE 59 HD11 ILE 59 -10.461 2.054 0.402 409 HD12 ILE 59 HD12 ILE 59 -11.629 3.375 0.356 410 HD13 ILE 59 HD13 ILE 59 -10.522 3.225 1.720 411 H ARG 60 H ARG 60 -7.519 4.782 -4.199 412 HA ARG 60 HA ARG 60 -8.949 5.985 -6.292 413 HB2 ARG 60 HB3 ARG 60 -6.602 5.426 -6.535 414 HB3 ARG 60 HB2 ARG 60 -6.961 3.704 -6.403 415 HG2 ARG 60 HG3 ARG 60 -6.634 4.463 -8.768 416 HG3 ARG 60 HG2 ARG 60 -8.222 3.755 -8.483 417 HD2 ARG 60 HD3 ARG 60 -9.297 5.843 -8.512 418 HD3 ARG 60 HD2 ARG 60 -7.800 6.725 -8.212 419 HE ARG 60 HE ARG 60 -7.351 6.643 -10.538 420 HH11 ARG 60 HH22 ARG 60 -9.848 4.462 -9.591 421 HH12 ARG 60 HH21 ARG 60 -10.285 4.048 -11.215 422 HH21 ARG 60 HH11 ARG 60 -7.907 6.114 -12.664 423 HH22 ARG 60 HH12 ARG 60 -9.187 4.985 -12.955 424 H ILE 61 H ILE 61 -9.153 2.652 -5.111 425 HA ILE 61 HA ILE 61 -11.540 2.315 -6.875 426 HB ILE 61 HB ILE 61 -10.734 -0.190 -6.896 427 HG12 ILE 61 HG13 ILE 61 -8.230 -0.310 -6.982 428 HG13 ILE 61 HG12 ILE 61 -8.161 1.339 -6.366 429 HG21 ILE 61 HG21 ILE 61 -9.056 0.663 -8.833 430 HG22 ILE 61 HG22 ILE 61 -9.958 2.151 -8.545 431 HG23 ILE 61 HG23 ILE 61 -10.811 0.678 -9.010 432 HD11 ILE 61 HD11 ILE 61 -9.841 -0.575 -4.831 433 HD12 ILE 61 HD12 ILE 61 -8.790 0.716 -4.252 434 HD13 ILE 61 HD13 ILE 61 -8.099 -0.822 -4.757 435 HA PRO 62 HA PRO 62 -13.767 1.052 -3.291 436 HB2 PRO 62 HB2 PRO 62 -15.046 -1.234 -4.299 437 HB3 PRO 62 HB3 PRO 62 -15.644 0.430 -4.418 438 HG2 PRO 62 HG3 PRO 62 -14.239 -1.224 -6.433 439 HG3 PRO 62 HG2 PRO 62 -15.478 0.023 -6.652 440 HD2 PRO 62 HD3 PRO 62 -12.865 0.482 -7.212 441 HD3 PRO 62 HD2 PRO 62 -13.936 1.761 -6.595 442 H GLY 63 H GLY 63 -11.612 -1.170 -4.863 443 HA2 GLY 63 HA3 GLY 63 -10.182 -2.202 -2.872 444 HA3 GLY 63 HA2 GLY 63 -11.698 -3.053 -2.580 445 H LYS 64 H LYS 64 -10.728 -2.246 -5.832 446 HA LYS 64 HA LYS 64 -10.393 -5.151 -6.375 447 HB2 LYS 64 HB3 LYS 64 -11.023 -2.832 -8.224 448 HB3 LYS 64 HB2 LYS 64 -10.804 -4.501 -8.754 449 HG2 LYS 64 HG3 LYS 64 -12.668 -5.210 -7.297 450 HG3 LYS 64 HG2 LYS 64 -12.893 -3.539 -6.775 451 HD2 LYS 64 HD3 LYS 64 -14.494 -4.030 -8.542 452 HD3 LYS 64 HD2 LYS 64 -13.293 -2.897 -9.160 453 HE2 LYS 64 HE3 LYS 64 -12.284 -4.488 -10.513 454 HE3 LYS 64 HE2 LYS 64 -12.794 -5.832 -9.492 455 HZ1 LYS 64 HZ1 LYS 64 -14.507 -6.120 -10.840 456 HZ2 LYS 64 HZ2 LYS 64 -14.072 -4.764 -11.761 457 HZ3 LYS 64 HZ3 LYS 64 -15.096 -4.584 -10.417 458 H CYS 65 H CYS 65 -8.569 -5.870 -7.562 459 HA CYS 65 HA CYS 65 -6.331 -3.892 -7.734 460 HB2 CYS 65 HB3 CYS 65 -6.231 -6.874 -7.192 461 HB3 CYS 65 HB2 CYS 65 -4.820 -5.832 -7.373 462 H HIS 66 H HIS 66 -4.788 -4.327 -9.512 463 HA HIS 66 HA HIS 66 -4.472 -4.552 -11.833 464 HB2 HIS 66 HB3 HIS 66 -5.743 -7.246 -11.269 465 HB3 HIS 66 HB2 HIS 66 -4.700 -6.849 -12.634 466 HD1 HIS 66 HD1 HIS 66 -2.221 -5.859 -11.816 467 HD2 HIS 66 HD2 HIS 66 -4.321 -8.263 -9.130 468 HE1 HIS 66 HE1 HIS 66 -0.530 -6.683 -10.116 469 HE2 HIS 66 HE2 HIS 66 -1.798 -8.146 -8.478 Start of MODEL 10 1 H1 ALA 1 H1 ALA 1 -2.767 11.947 5.112 2 H2 ALA 1 H2 ALA 1 -2.189 10.743 4.062 3 H3 ALA 1 H3 ALA 1 -1.687 10.772 5.685 4 HA ALA 1 HA ALA 1 -4.187 10.534 6.213 5 HB1 ALA 1 HB1 ALA 1 -4.111 9.156 3.531 6 HB2 ALA 1 HB2 ALA 1 -4.646 10.830 3.677 7 HB3 ALA 1 HB3 ALA 1 -5.513 9.550 4.526 8 H ARG 2 H ARG 2 -4.932 7.935 5.888 9 HA ARG 2 HA ARG 2 -2.461 6.360 6.502 10 HB2 ARG 2 HB3 ARG 2 -3.742 6.920 8.566 11 HB3 ARG 2 HB2 ARG 2 -5.154 6.118 7.877 12 HG2 ARG 2 HG3 ARG 2 -3.817 4.016 7.688 13 HG3 ARG 2 HG2 ARG 2 -2.482 4.831 8.503 14 HD2 ARG 2 HD3 ARG 2 -5.260 4.422 9.650 15 HD3 ARG 2 HD2 ARG 2 -3.819 3.513 10.106 16 HE ARG 2 HE ARG 2 -3.014 6.064 10.601 17 HH11 ARG 2 HH22 ARG 2 -5.910 4.323 11.290 18 HH12 ARG 2 HH21 ARG 2 -6.255 5.207 12.740 19 HH21 ARG 2 HH11 ARG 2 -3.449 7.228 12.490 20 HH22 ARG 2 HH12 ARG 2 -4.862 6.851 13.418 21 H ASP 3 H ASP 3 -2.300 4.510 5.319 22 HA ASP 3 HA ASP 3 -4.715 3.631 3.805 23 HB2 ASP 3 HB3 ASP 3 -2.303 4.310 2.776 24 HB3 ASP 3 HB2 ASP 3 -2.046 2.585 3.048 25 H ALA 4 H ALA 4 -5.119 1.319 3.686 26 HA ALA 4 HA ALA 4 -4.122 -0.088 6.100 27 HB1 ALA 4 HB1 ALA 4 -6.401 -0.323 6.205 28 HB2 ALA 4 HB2 ALA 4 -6.050 -1.723 5.191 29 HB3 ALA 4 HB3 ALA 4 -6.596 -0.215 4.455 30 H TYR 5 H TYR 5 -5.286 -1.548 3.088 31 HA TYR 5 HA TYR 5 -2.844 -3.250 3.087 32 HB2 TYR 5 HB3 TYR 5 -5.255 -3.585 1.303 33 HB3 TYR 5 HB2 TYR 5 -4.097 -4.810 1.821 34 HD1 TYR 5 HD2 TYR 5 -4.155 -5.717 4.113 35 HD2 TYR 5 HD1 TYR 5 -7.048 -2.853 2.746 36 HE1 TYR 5 HE2 TYR 5 -5.598 -6.249 6.059 37 HE2 TYR 5 HE1 TYR 5 -8.495 -3.386 4.692 38 HH TYR 5 HH TYR 5 -8.718 -5.612 6.260 39 H ILE 6 H ILE 6 -3.949 -0.456 1.625 40 HA ILE 6 HA ILE 6 -2.526 -1.030 -0.925 41 HB ILE 6 HB ILE 6 -4.387 1.259 -0.235 42 HG12 ILE 6 HG13 ILE 6 -4.899 -1.240 -1.880 43 HG13 ILE 6 HG12 ILE 6 -5.488 -0.987 -0.237 44 HG21 ILE 6 HG21 ILE 6 -2.544 0.844 -2.368 45 HG22 ILE 6 HG22 ILE 6 -3.723 2.144 -2.191 46 HG23 ILE 6 HG23 ILE 6 -4.169 0.655 -3.025 47 HD11 ILE 6 HD11 ILE 6 -6.308 0.385 -2.774 48 HD12 ILE 6 HD12 ILE 6 -6.442 1.254 -1.246 49 HD13 ILE 6 HD13 ILE 6 -7.317 -0.259 -1.479 50 H ALA 7 H ALA 7 -0.807 0.280 -1.575 51 HA ALA 7 HA ALA 7 0.013 2.476 0.251 52 HB1 ALA 7 HB1 ALA 7 1.559 0.003 -0.443 53 HB2 ALA 7 HB2 ALA 7 1.445 0.852 1.099 54 HB3 ALA 7 HB3 ALA 7 2.433 1.516 -0.202 55 H LYS 8 H LYS 8 -0.455 1.260 -2.857 56 HA LYS 8 HA LYS 8 1.330 3.304 -4.079 57 HB2 LYS 8 HB3 LYS 8 -0.123 1.468 -5.872 58 HB3 LYS 8 HB2 LYS 8 1.592 1.880 -5.840 59 HG2 LYS 8 HG3 LYS 8 1.680 0.448 -3.675 60 HG3 LYS 8 HG2 LYS 8 0.135 -0.205 -4.224 61 HD2 LYS 8 HD3 LYS 8 2.734 -0.219 -5.787 62 HD3 LYS 8 HD2 LYS 8 1.973 -1.616 -5.025 63 HE2 LYS 8 HE3 LYS 8 -0.108 -0.837 -6.490 64 HE3 LYS 8 HE2 LYS 8 1.162 -0.120 -7.483 65 HZ1 LYS 8 HZ1 LYS 8 1.316 -2.925 -6.571 66 HZ2 LYS 8 HZ2 LYS 8 2.140 -2.182 -7.855 67 HZ3 LYS 8 HZ3 LYS 8 0.475 -2.501 -7.986 68 HA PRO 9 HA PRO 9 -1.690 6.251 -5.305 69 HB2 PRO 9 HB2 PRO 9 -1.248 5.157 -8.077 70 HB3 PRO 9 HB3 PRO 9 -1.396 6.847 -7.552 71 HG2 PRO 9 HG3 PRO 9 0.980 5.736 -8.002 72 HG3 PRO 9 HG2 PRO 9 0.734 6.903 -6.692 73 HD2 PRO 9 HD3 PRO 9 1.246 4.001 -6.517 74 HD3 PRO 9 HD2 PRO 9 1.440 5.252 -5.271 75 H HIS 10 H HIS 10 -2.863 4.785 -8.114 76 HA HIS 10 HA HIS 10 -5.364 4.075 -6.735 77 HB2 HIS 10 HB3 HIS 10 -4.629 4.098 -9.679 78 HB3 HIS 10 HB2 HIS 10 -6.243 3.785 -9.043 79 HD1 HIS 10 HD1 HIS 10 -3.669 6.531 -9.362 80 HD2 HIS 10 HD2 HIS 10 -7.648 6.082 -8.192 81 HE1 HIS 10 HE1 HIS 10 -4.608 8.870 -9.097 82 HE2 HIS 10 HE2 HIS 10 -7.028 8.608 -8.385 83 H ASN 11 H ASN 11 -2.535 2.504 -7.377 84 HA ASN 11 HA ASN 11 -3.857 -0.111 -7.934 85 HB2 ASN 11 HB3 ASN 11 -0.922 0.644 -8.031 86 HB3 ASN 11 HB2 ASN 11 -1.615 -0.901 -8.531 87 HD21 ASN 11 HD22 ASN 11 -0.442 1.860 -9.860 88 HD22 ASN 11 HD21 ASN 11 -1.415 1.966 -11.247 89 H CYS 12 H CYS 12 -3.266 -1.948 -6.598 90 HA CYS 12 HA CYS 12 -2.451 -1.136 -3.838 91 HB2 CYS 12 HB3 CYS 12 -3.821 -3.721 -4.587 92 HB3 CYS 12 HB2 CYS 12 -3.754 -2.936 -3.010 93 H VAL 13 H VAL 13 -1.118 -2.771 -2.651 94 HA VAL 13 HA VAL 13 1.147 -3.599 -4.216 95 HB VAL 13 HB VAL 13 0.331 -4.482 -1.430 96 HG11 VAL 13 HG11 VAL 13 2.788 -4.878 -1.186 97 HG12 VAL 13 HG12 VAL 13 2.982 -4.528 -2.903 98 HG13 VAL 13 HG13 VAL 13 2.044 -5.930 -2.391 99 HG21 VAL 13 HG21 VAL 13 1.672 -2.043 -2.536 100 HG22 VAL 13 HG22 VAL 13 2.233 -2.673 -0.987 101 HG23 VAL 13 HG23 VAL 13 0.549 -2.184 -1.184 102 H TYR 14 H TYR 14 1.558 -5.534 -5.205 103 HA TYR 14 HA TYR 14 -0.633 -7.446 -5.462 104 HB2 TYR 14 HB3 TYR 14 0.728 -8.532 -7.100 105 HB3 TYR 14 HB2 TYR 14 1.006 -6.804 -7.310 106 HD1 TYR 14 HD2 TYR 14 3.074 -5.747 -6.383 107 HD2 TYR 14 HD1 TYR 14 2.480 -10.001 -6.374 108 HE1 TYR 14 HE2 TYR 14 5.498 -6.085 -5.988 109 HE2 TYR 14 HE1 TYR 14 4.905 -10.338 -5.979 110 HH TYR 14 HH TYR 14 6.897 -9.356 -5.839 111 H GLU 15 H GLU 15 2.468 -7.308 -3.784 112 HA GLU 15 HA GLU 15 1.631 -9.369 -1.924 113 HB2 GLU 15 HB3 GLU 15 2.362 -10.690 -3.987 114 HB3 GLU 15 HB2 GLU 15 3.988 -10.066 -3.691 115 HG2 GLU 15 HG3 GLU 15 3.903 -11.014 -1.392 116 HG3 GLU 15 HG2 GLU 15 2.329 -11.719 -1.766 117 H CYS 16 H CYS 16 2.259 -7.830 -0.335 118 HA CYS 16 HA CYS 16 4.730 -6.406 -0.390 119 HB2 CYS 16 HB3 CYS 16 3.438 -5.496 1.265 120 HB3 CYS 16 HB2 CYS 16 2.685 -7.038 1.668 121 H PHE 17 H PHE 17 6.733 -6.900 0.606 122 HA PHE 17 HA PHE 17 7.127 -9.806 1.196 123 HB2 PHE 17 HB3 PHE 17 8.360 -9.382 -0.754 124 HB3 PHE 17 HB2 PHE 17 8.838 -7.775 -0.218 125 HD1 PHE 17 HD2 PHE 17 9.426 -11.400 0.178 126 HD2 PHE 17 HD1 PHE 17 10.701 -7.456 1.305 127 HE1 PHE 17 HE2 PHE 17 11.510 -12.347 1.133 128 HE2 PHE 17 HE1 PHE 17 12.784 -8.402 2.261 129 HZ PHE 17 HZ PHE 17 13.190 -10.847 2.173 130 H ASP 18 H ASP 18 9.019 -10.185 2.735 131 HA ASP 18 HA ASP 18 8.597 -9.099 5.232 132 HB2 ASP 18 HB3 ASP 18 11.256 -9.944 4.043 133 HB3 ASP 18 HB2 ASP 18 10.980 -9.673 5.763 134 H ALA 19 H ALA 19 9.101 -7.219 6.289 135 HA ALA 19 HA ALA 19 9.809 -4.904 4.731 136 HB1 ALA 19 HB1 ALA 19 8.484 -4.331 6.540 137 HB2 ALA 19 HB2 ALA 19 10.078 -3.945 7.189 138 HB3 ALA 19 HB3 ALA 19 9.292 -5.463 7.624 139 H PHE 20 H PHE 20 11.736 -7.346 6.058 140 HA PHE 20 HA PHE 20 13.990 -6.010 7.069 141 HB2 PHE 20 HB3 PHE 20 13.714 -8.505 6.932 142 HB3 PHE 20 HB2 PHE 20 14.062 -8.406 5.206 143 HD1 PHE 20 HD1 PHE 20 15.449 -7.871 8.600 144 HD2 PHE 20 HD2 PHE 20 16.296 -8.022 4.392 145 HE1 PHE 20 HE1 PHE 20 17.880 -7.870 9.089 146 HE2 PHE 20 HE2 PHE 20 18.726 -8.020 4.881 147 HZ PHE 20 HZ PHE 20 19.519 -7.944 7.229 148 H SER 21 H SER 21 13.123 -6.661 3.674 149 HA SER 21 HA SER 21 15.442 -5.116 2.725 150 HB2 SER 21 HB3 SER 21 13.137 -6.399 1.230 151 HB3 SER 21 HB2 SER 21 14.517 -5.617 0.467 152 HG SER 21 HG SER 21 14.481 -7.920 2.123 153 H SER 22 H SER 22 12.677 -4.234 4.133 154 HA SER 22 HA SER 22 11.347 -2.302 4.091 155 HB2 SER 22 HB3 SER 22 13.657 -1.201 2.465 156 HB3 SER 22 HB2 SER 22 12.453 -0.262 3.343 157 HG SER 22 HG SER 22 14.647 -1.688 4.260 158 H TYR 23 H TYR 23 11.371 -4.300 1.735 159 HA TYR 23 HA TYR 23 10.860 -2.918 -0.690 160 HB2 TYR 23 HB3 TYR 23 11.120 -5.376 -0.542 161 HB3 TYR 23 HB2 TYR 23 9.573 -5.477 0.301 162 HD1 TYR 23 HD1 TYR 23 7.464 -4.965 -0.853 163 HD2 TYR 23 HD2 TYR 23 11.229 -4.896 -2.921 164 HE1 TYR 23 HE1 TYR 23 6.271 -4.984 -3.029 165 HE2 TYR 23 HE2 TYR 23 10.037 -4.912 -5.095 166 HH TYR 23 HH TYR 23 7.411 -5.858 -5.742 167 H CYS 24 H CYS 24 8.557 -3.973 1.832 168 HA CYS 24 HA CYS 24 6.264 -2.788 0.574 169 HB2 CYS 24 HB3 CYS 24 5.953 -4.462 2.303 170 HB3 CYS 24 HB2 CYS 24 6.810 -3.465 3.478 171 H ASN 25 H ASN 25 8.409 -1.634 3.170 172 HA ASN 25 HA ASN 25 7.144 0.885 3.552 173 HB2 ASN 25 HB3 ASN 25 10.082 0.186 3.845 174 HB3 ASN 25 HB2 ASN 25 9.282 1.590 4.554 175 HD21 ASN 25 HD22 ASN 25 7.200 -1.118 4.479 176 HD22 ASN 25 HD21 ASN 25 7.405 -1.617 6.089 177 H GLY 26 H GLY 26 9.617 -0.181 1.258 178 HA2 GLY 26 HA3 GLY 26 10.286 2.375 0.192 179 HA3 GLY 26 HA2 GLY 26 10.430 0.852 -0.687 180 H VAL 27 H VAL 27 7.719 0.065 -0.693 181 HA VAL 27 HA VAL 27 6.718 1.550 -2.924 182 HB VAL 27 HB VAL 27 5.297 -0.341 -1.026 183 HG11 VAL 27 HG11 VAL 27 3.570 0.882 -2.084 184 HG12 VAL 27 HG12 VAL 27 3.756 -0.550 -3.096 185 HG13 VAL 27 HG13 VAL 27 4.458 0.986 -3.604 186 HG21 VAL 27 HG21 VAL 27 7.330 -0.880 -2.786 187 HG22 VAL 27 HG22 VAL 27 5.912 -1.120 -3.809 188 HG23 VAL 27 HG23 VAL 27 6.090 -2.044 -2.317 189 H CYS 28 H CYS 28 5.859 1.574 0.523 190 HA CYS 28 HA CYS 28 3.761 3.514 0.312 191 HB2 CYS 28 HB3 CYS 28 4.266 2.017 2.309 192 HB3 CYS 28 HB2 CYS 28 5.589 3.117 2.695 193 H THR 29 H THR 29 7.260 3.775 0.582 194 HA THR 29 HA THR 29 7.462 6.521 1.270 195 HB THR 29 HB THR 29 9.310 4.965 -0.560 196 HG1 THR 29 HG1 THR 29 10.174 4.136 1.219 197 HG21 THR 29 HG21 THR 29 9.826 7.319 -0.579 198 HG22 THR 29 HG22 THR 29 11.007 6.527 0.464 199 HG23 THR 29 HG23 THR 29 9.664 7.421 1.173 200 H LYS 30 H LYS 30 7.111 4.970 -1.913 201 HA LYS 30 HA LYS 30 7.423 7.313 -3.493 202 HB2 LYS 30 HB3 LYS 30 5.902 4.741 -3.903 203 HB3 LYS 30 HB2 LYS 30 5.818 6.036 -5.096 204 HG2 LYS 30 HG3 LYS 30 7.597 4.628 -5.817 205 HG3 LYS 30 HG2 LYS 30 8.383 6.019 -5.073 206 HD2 LYS 30 HD3 LYS 30 8.750 4.789 -3.019 207 HD3 LYS 30 HD2 LYS 30 7.798 3.430 -3.616 208 HE2 LYS 30 HE3 LYS 30 9.436 2.774 -5.137 209 HE3 LYS 30 HE2 LYS 30 10.164 4.379 -5.197 210 HZ1 LYS 30 HZ1 LYS 30 10.990 2.256 -3.664 211 HZ2 LYS 30 HZ2 LYS 30 10.234 3.304 -2.565 212 HZ3 LYS 30 HZ3 LYS 30 11.513 3.868 -3.531 213 H ASN 31 H ASN 31 4.698 6.123 -1.623 214 HA ASN 31 HA ASN 31 2.602 7.654 -2.711 215 HB2 ASN 31 HB3 ASN 31 2.412 5.978 -0.829 216 HB3 ASN 31 HB2 ASN 31 3.068 7.208 0.252 217 HD21 ASN 31 HD22 ASN 31 0.369 6.698 -2.079 218 HD22 ASN 31 HD21 ASN 31 -0.717 7.725 -1.275 219 H GLY 32 H GLY 32 5.239 8.620 -0.570 220 HA2 GLY 32 HA3 GLY 32 5.536 11.228 -1.317 221 HA3 GLY 32 HA2 GLY 32 4.160 11.324 -0.218 222 H ALA 33 H ALA 33 5.058 9.196 1.540 223 HA ALA 33 HA ALA 33 7.616 9.291 2.572 224 HB1 ALA 33 HB1 ALA 33 7.853 11.555 2.912 225 HB2 ALA 33 HB2 ALA 33 7.036 11.152 4.422 226 HB3 ALA 33 HB3 ALA 33 6.114 11.808 3.069 227 H LYS 34 H LYS 34 4.263 9.026 2.967 228 HA LYS 34 HA LYS 34 3.759 8.584 5.635 229 HB2 LYS 34 HB3 LYS 34 2.932 6.771 3.355 230 HB3 LYS 34 HB2 LYS 34 2.227 6.743 4.968 231 HG2 LYS 34 HG3 LYS 34 1.631 9.177 4.653 232 HG3 LYS 34 HG2 LYS 34 2.138 9.010 2.971 233 HD2 LYS 34 HD3 LYS 34 0.534 7.147 2.684 234 HD3 LYS 34 HD2 LYS 34 -0.001 7.367 4.349 235 HE2 LYS 34 HE3 LYS 34 -1.357 9.068 3.758 236 HE3 LYS 34 HE2 LYS 34 -0.037 9.895 2.931 237 HZ1 LYS 34 HZ1 LYS 34 -0.778 9.210 0.969 238 HZ2 LYS 34 HZ2 LYS 34 -2.194 8.695 1.749 239 HZ3 LYS 34 HZ3 LYS 34 -0.922 7.599 1.490 240 H SER 35 H SER 35 4.282 7.071 7.161 241 HA SER 35 HA SER 35 6.021 4.806 6.304 242 HB2 SER 35 HB3 SER 35 7.209 5.061 8.489 243 HB3 SER 35 HB2 SER 35 7.422 6.454 7.429 244 HG SER 35 HG SER 35 6.858 7.236 9.422 245 H GLY 36 H GLY 36 4.834 2.992 6.637 246 HA2 GLY 36 HA3 GLY 36 3.346 2.762 9.207 247 HA3 GLY 36 HA2 GLY 36 2.575 2.283 7.700 248 H TYR 37 H TYR 37 2.431 0.060 8.057 249 HA TYR 37 HA TYR 37 5.029 -1.396 8.153 250 HB2 TYR 37 HB3 TYR 37 2.663 -2.349 9.753 251 HB3 TYR 37 HB2 TYR 37 4.356 -2.813 9.911 252 HD1 TYR 37 HD2 TYR 37 6.032 -0.997 10.660 253 HD2 TYR 37 HD1 TYR 37 1.769 -0.606 11.042 254 HE1 TYR 37 HE2 TYR 37 6.350 0.760 12.380 255 HE2 TYR 37 HE1 TYR 37 2.092 1.148 12.773 256 HH TYR 37 HH TYR 37 5.072 1.730 14.273 257 H CYS 38 H CYS 38 4.598 -3.821 7.665 258 HA CYS 38 HA CYS 38 2.655 -3.925 5.428 259 HB2 CYS 38 HB3 CYS 38 4.862 -4.581 4.753 260 HB3 CYS 38 HB2 CYS 38 5.029 -5.655 6.144 261 H GLN 39 H GLN 39 0.799 -5.014 5.691 262 HA GLN 39 HA GLN 39 0.631 -7.011 7.915 263 HB2 GLN 39 HB3 GLN 39 -1.508 -5.160 6.821 264 HB3 GLN 39 HB2 GLN 39 -1.791 -6.418 8.027 265 HG2 GLN 39 HG3 GLN 39 -0.099 -5.351 9.503 266 HG3 GLN 39 HG2 GLN 39 0.094 -4.062 8.316 267 HE21 GLN 39 HE22 GLN 39 -3.105 -4.903 8.101 268 HE22 GLN 39 HE21 GLN 39 -3.764 -3.807 9.218 269 H ILE 40 H ILE 40 -1.547 -8.408 7.377 270 HA ILE 40 HA ILE 40 -1.055 -9.474 4.634 271 HB ILE 40 HB ILE 40 -1.856 -11.618 5.474 272 HG12 ILE 40 HG13 ILE 40 -2.254 -10.155 8.108 273 HG13 ILE 40 HG12 ILE 40 -3.552 -10.719 7.055 274 HG21 ILE 40 HG21 ILE 40 0.170 -12.069 6.364 275 HG22 ILE 40 HG22 ILE 40 -0.122 -11.013 7.746 276 HG23 ILE 40 HG23 ILE 40 0.497 -10.341 6.236 277 HD11 ILE 40 HD11 ILE 40 -3.197 -12.356 8.824 278 HD12 ILE 40 HD12 ILE 40 -1.479 -12.448 8.433 279 HD13 ILE 40 HD13 ILE 40 -2.678 -13.044 7.286 280 H LEU 41 H LEU 41 -2.929 -10.272 3.439 281 HA LEU 41 HA LEU 41 -5.194 -8.460 3.674 282 HB2 LEU 41 HB3 LEU 41 -4.817 -10.853 1.852 283 HB3 LEU 41 HB2 LEU 41 -5.990 -9.555 1.648 284 HG LEU 41 HG LEU 41 -2.975 -9.273 1.565 285 HD11 LEU 41 HD11 LEU 41 -4.637 -10.145 -0.415 286 HD12 LEU 41 HD12 LEU 41 -3.144 -9.255 -0.709 287 HD13 LEU 41 HD13 LEU 41 -4.688 -8.403 -0.685 288 HD21 LEU 41 HD21 LEU 41 -3.626 -7.223 2.449 289 HD22 LEU 41 HD22 LEU 41 -5.223 -7.295 1.706 290 HD23 LEU 41 HD23 LEU 41 -3.812 -6.899 0.725 291 H GLY 42 H GLY 42 -7.317 -9.031 4.287 292 HA2 GLY 42 HA3 GLY 42 -7.674 -10.984 6.291 293 HA3 GLY 42 HA2 GLY 42 -8.995 -10.289 5.349 294 H THR 43 H THR 43 -8.010 -11.231 2.786 295 HA THR 43 HA THR 43 -8.883 -14.049 3.023 296 HB THR 43 HB THR 43 -9.082 -13.922 0.541 297 HG1 THR 43 HG1 THR 43 -8.594 -11.169 0.752 298 HG21 THR 43 HG21 THR 43 -11.127 -12.941 0.710 299 HG22 THR 43 HG22 THR 43 -10.462 -11.447 1.371 300 HG23 THR 43 HG23 THR 43 -10.734 -12.834 2.426 301 H TYR 44 H TYR 44 -7.217 -13.807 0.199 302 HA TYR 44 HA TYR 44 -4.746 -14.955 1.439 303 HB2 TYR 44 HB3 TYR 44 -5.907 -15.426 -1.326 304 HB3 TYR 44 HB2 TYR 44 -4.454 -16.186 -0.675 305 HD1 TYR 44 HD2 TYR 44 -4.632 -17.695 1.332 306 HD2 TYR 44 HD1 TYR 44 -8.084 -16.226 -0.760 307 HE1 TYR 44 HE2 TYR 44 -6.023 -19.454 2.393 308 HE2 TYR 44 HE1 TYR 44 -9.475 -17.985 0.301 309 HH TYR 44 HH TYR 44 -9.518 -19.691 1.710 310 H GLY 45 H GLY 45 -2.796 -14.013 0.920 311 HA2 GLY 45 HA3 GLY 45 -1.520 -12.826 -0.949 312 HA3 GLY 45 HA2 GLY 45 -2.887 -11.713 -0.995 313 H ASN 46 H ASN 46 -1.079 -10.121 -0.535 314 HA ASN 46 HA ASN 46 -0.857 -9.770 2.397 315 HB2 ASN 46 HB3 ASN 46 1.276 -10.768 1.099 316 HB3 ASN 46 HB2 ASN 46 1.543 -9.054 0.782 317 HD21 ASN 46 HD22 ASN 46 3.217 -8.584 2.284 318 HD22 ASN 46 HD21 ASN 46 3.068 -8.816 3.958 319 H GLY 47 H GLY 47 -0.429 -7.484 2.974 320 HA2 GLY 47 HA3 GLY 47 -0.865 -5.570 0.732 321 HA3 GLY 47 HA2 GLY 47 -1.950 -5.517 2.120 322 H CYS 48 H CYS 48 -0.396 -3.295 1.427 323 HA CYS 48 HA CYS 48 1.763 -3.291 3.477 324 HB2 CYS 48 HB3 CYS 48 1.339 -1.811 0.925 325 HB3 CYS 48 HB2 CYS 48 2.200 -0.983 2.221 326 H TRP 49 H TRP 49 1.663 -1.831 5.182 327 HA TRP 49 HA TRP 49 -0.874 -0.292 5.421 328 HB2 TRP 49 HB3 TRP 49 0.124 -2.108 7.156 329 HB3 TRP 49 HB2 TRP 49 0.884 -0.649 7.781 330 HD1 TRP 49 HD1 TRP 49 -0.612 1.089 8.999 331 HE1 TRP 49 HE1 TRP 49 -3.093 1.135 9.693 332 HE3 TRP 49 HE3 TRP 49 -2.327 -2.949 6.391 333 HZ2 TRP 49 HZ2 TRP 49 -5.490 -0.349 9.208 334 HZ3 TRP 49 HZ3 TRP 49 -4.710 -3.610 6.526 335 HH2 TRP 49 HH2 TRP 49 -6.293 -2.318 7.929 336 H CYS 50 H CYS 50 -0.743 1.906 5.370 337 HA CYS 50 HA CYS 50 1.972 3.140 5.678 338 HB2 CYS 50 HB3 CYS 50 -0.382 3.884 3.932 339 HB3 CYS 50 HB2 CYS 50 0.921 5.019 4.276 340 H ILE 51 H ILE 51 2.166 4.553 7.376 341 HA ILE 51 HA ILE 51 -0.354 5.649 8.546 342 HB ILE 51 HB ILE 51 2.103 4.725 10.052 343 HG12 ILE 51 HG13 ILE 51 -0.667 3.497 9.903 344 HG13 ILE 51 HG12 ILE 51 0.712 2.925 8.965 345 HG21 ILE 51 HG21 ILE 51 -0.532 5.967 10.841 346 HG22 ILE 51 HG22 ILE 51 1.095 6.413 11.359 347 HG23 ILE 51 HG23 ILE 51 0.350 4.935 11.968 348 HD11 ILE 51 HD11 ILE 51 1.705 3.070 11.558 349 HD12 ILE 51 HD12 ILE 51 1.191 1.604 10.725 350 HD13 ILE 51 HD13 ILE 51 0.064 2.464 11.773 351 H ALA 52 H ALA 52 -0.328 7.810 9.056 352 HA ALA 52 HA ALA 52 2.108 9.312 9.454 353 HB1 ALA 52 HB1 ALA 52 0.663 10.122 6.953 354 HB2 ALA 52 HB2 ALA 52 1.870 8.839 6.878 355 HB3 ALA 52 HB3 ALA 52 2.329 10.448 7.432 356 H LEU 53 H LEU 53 -1.313 9.421 8.510 357 HA LEU 53 HA LEU 53 -1.649 11.699 10.415 358 HB2 LEU 53 HB3 LEU 53 -2.430 11.467 7.576 359 HB3 LEU 53 HB2 LEU 53 -3.701 12.062 8.644 360 HG LEU 53 HG LEU 53 -2.116 13.762 9.537 361 HD11 LEU 53 HD11 LEU 53 -0.125 13.952 7.657 362 HD12 LEU 53 HD12 LEU 53 -0.276 12.205 7.838 363 HD13 LEU 53 HD13 LEU 53 0.071 13.210 9.245 364 HD21 LEU 53 HD21 LEU 53 -3.624 13.988 7.383 365 HD22 LEU 53 HD22 LEU 53 -2.072 14.037 6.545 366 HD23 LEU 53 HD23 LEU 53 -2.452 15.249 7.769 367 HA PRO 54 HA PRO 54 -4.801 9.567 12.622 368 HB2 PRO 54 HB2 PRO 54 -6.760 11.588 11.618 369 HB3 PRO 54 HB3 PRO 54 -6.449 11.048 13.277 370 HG2 PRO 54 HG3 PRO 54 -5.548 13.394 12.303 371 HG3 PRO 54 HG2 PRO 54 -4.704 12.475 13.558 372 HD2 PRO 54 HD3 PRO 54 -3.920 12.928 10.755 373 HD3 PRO 54 HD2 PRO 54 -2.937 12.375 12.127 374 H ASP 55 H ASP 55 -6.731 10.919 9.953 375 HA ASP 55 HA ASP 55 -6.885 8.502 8.417 376 HB2 ASP 55 HB3 ASP 55 -9.166 7.790 9.003 377 HB3 ASP 55 HB2 ASP 55 -8.114 7.692 10.416 378 H ASN 56 H ASN 56 -6.529 11.145 7.689 379 HA ASN 56 HA ASN 56 -9.170 12.049 6.670 380 HB2 ASN 56 HB3 ASN 56 -7.658 13.669 7.876 381 HB3 ASN 56 HB2 ASN 56 -6.518 13.503 6.540 382 HD21 ASN 56 HD22 ASN 56 -10.004 14.249 7.090 383 HD22 ASN 56 HD21 ASN 56 -10.113 15.377 5.826 384 H VAL 57 H VAL 57 -9.690 11.523 4.610 385 HA VAL 57 HA VAL 57 -9.450 10.844 2.376 386 HB VAL 57 HB VAL 57 -6.824 12.347 2.557 387 HG11 VAL 57 HG11 VAL 57 -8.156 10.935 0.459 388 HG12 VAL 57 HG12 VAL 57 -6.670 11.880 0.363 389 HG13 VAL 57 HG13 VAL 57 -8.229 12.657 0.088 390 HG21 VAL 57 HG21 VAL 57 -8.049 14.206 2.913 391 HG22 VAL 57 HG22 VAL 57 -9.542 13.269 2.866 392 HG23 VAL 57 HG23 VAL 57 -8.863 13.922 1.375 393 HA PRO 58 HA PRO 58 -6.388 7.569 3.729 394 HB2 PRO 58 HB2 PRO 58 -8.159 5.488 3.808 395 HB3 PRO 58 HB3 PRO 58 -7.834 6.543 5.197 396 HG2 PRO 58 HG3 PRO 58 -10.131 6.540 3.319 397 HG3 PRO 58 HG2 PRO 58 -10.087 6.886 5.055 398 HD2 PRO 58 HD3 PRO 58 -10.223 8.830 3.092 399 HD3 PRO 58 HD2 PRO 58 -9.586 9.107 4.727 400 H ILE 59 H ILE 59 -9.176 6.549 1.718 401 HA ILE 59 HA ILE 59 -7.223 5.819 -0.422 402 HB ILE 59 HB ILE 59 -9.872 4.485 0.219 403 HG12 ILE 59 HG13 ILE 59 -7.046 3.445 0.582 404 HG13 ILE 59 HG12 ILE 59 -8.034 4.092 1.894 405 HG21 ILE 59 HG21 ILE 59 -9.233 2.864 -1.467 406 HG22 ILE 59 HG22 ILE 59 -7.671 3.650 -1.691 407 HG23 ILE 59 HG23 ILE 59 -9.151 4.468 -2.194 408 HD11 ILE 59 HD11 ILE 59 -8.856 1.771 0.123 409 HD12 ILE 59 HD12 ILE 59 -9.715 2.368 1.543 410 HD13 ILE 59 HD13 ILE 59 -8.141 1.595 1.726 411 H ARG 60 H ARG 60 -7.435 7.270 -2.051 412 HA ARG 60 HA ARG 60 -9.762 8.926 -2.426 413 HB2 ARG 60 HB3 ARG 60 -7.537 8.262 -4.380 414 HB3 ARG 60 HB2 ARG 60 -8.650 9.627 -4.500 415 HG2 ARG 60 HG3 ARG 60 -7.425 10.851 -3.060 416 HG3 ARG 60 HG2 ARG 60 -7.387 9.534 -1.886 417 HD2 ARG 60 HD3 ARG 60 -5.538 8.476 -3.083 418 HD3 ARG 60 HD2 ARG 60 -5.599 9.726 -4.325 419 HE ARG 60 HE ARG 60 -5.248 11.054 -1.858 420 HH11 ARG 60 HH22 ARG 60 -3.657 8.751 -3.870 421 HH12 ARG 60 HH21 ARG 60 -2.065 9.218 -3.373 422 HH21 ARG 60 HH11 ARG 60 -3.179 11.677 -1.197 423 HH22 ARG 60 HH12 ARG 60 -1.795 10.875 -1.860 424 H ILE 61 H ILE 61 -8.642 5.903 -3.830 425 HA ILE 61 HA ILE 61 -10.659 5.777 -5.891 426 HB ILE 61 HB ILE 61 -9.240 3.402 -4.695 427 HG12 ILE 61 HG13 ILE 61 -7.653 4.275 -6.787 428 HG13 ILE 61 HG12 ILE 61 -8.081 5.776 -5.968 429 HG21 ILE 61 HG21 ILE 61 -10.839 2.872 -6.427 430 HG22 ILE 61 HG22 ILE 61 -9.228 2.733 -7.128 431 HG23 ILE 61 HG23 ILE 61 -10.214 4.156 -7.463 432 HD11 ILE 61 HD11 ILE 61 -6.651 3.370 -4.850 433 HD12 ILE 61 HD12 ILE 61 -7.463 4.520 -3.788 434 HD13 ILE 61 HD13 ILE 61 -6.146 5.061 -4.827 435 HA PRO 62 HA PRO 62 -14.221 4.652 -3.399 436 HB2 PRO 62 HB2 PRO 62 -14.754 2.679 -5.571 437 HB3 PRO 62 HB3 PRO 62 -15.828 3.902 -4.870 438 HG2 PRO 62 HG3 PRO 62 -14.657 4.184 -7.279 439 HG3 PRO 62 HG2 PRO 62 -15.062 5.550 -6.229 440 HD2 PRO 62 HD3 PRO 62 -12.408 4.456 -6.912 441 HD3 PRO 62 HD2 PRO 62 -12.843 6.052 -6.264 442 H GLY 63 H GLY 63 -11.635 2.626 -4.194 443 HA2 GLY 63 HA3 GLY 63 -10.854 0.971 -2.577 444 HA3 GLY 63 HA2 GLY 63 -12.537 0.633 -2.178 445 H LYS 64 H LYS 64 -12.291 1.005 -5.491 446 HA LYS 64 HA LYS 64 -12.947 -1.693 -6.084 447 HB2 LYS 64 HB3 LYS 64 -11.636 0.372 -7.879 448 HB3 LYS 64 HB2 LYS 64 -12.425 -1.106 -8.430 449 HG2 LYS 64 HG3 LYS 64 -14.536 -0.315 -7.318 450 HG3 LYS 64 HG2 LYS 64 -13.725 1.216 -6.987 451 HD2 LYS 64 HD3 LYS 64 -14.133 0.009 -9.738 452 HD3 LYS 64 HD2 LYS 64 -15.055 1.354 -9.063 453 HE2 LYS 64 HE3 LYS 64 -12.602 2.340 -8.669 454 HE3 LYS 64 HE2 LYS 64 -12.231 1.286 -10.032 455 HZ1 LYS 64 HZ1 LYS 64 -12.980 2.958 -11.277 456 HZ2 LYS 64 HZ2 LYS 64 -13.727 3.737 -9.969 457 HZ3 LYS 64 HZ3 LYS 64 -14.537 2.487 -10.787 458 H CYS 65 H CYS 65 -9.827 -0.032 -5.962 459 HA CYS 65 HA CYS 65 -7.636 -0.876 -6.104 460 HB2 CYS 65 HB3 CYS 65 -8.383 -1.992 -4.036 461 HB3 CYS 65 HB2 CYS 65 -9.045 -3.320 -4.989 462 H HIS 66 H HIS 66 -9.137 -4.031 -6.649 463 HA HIS 66 HA HIS 66 -7.554 -4.471 -9.023 464 HB2 HIS 66 HB3 HIS 66 -9.112 -6.495 -9.265 465 HB3 HIS 66 HB2 HIS 66 -8.159 -6.412 -7.783 466 HD1 HIS 66 HD1 HIS 66 -9.530 -5.000 -5.771 467 HD2 HIS 66 HD2 HIS 66 -11.783 -6.911 -8.714 468 HE1 HIS 66 HE1 HIS 66 -11.868 -5.247 -4.835 469 HE2 HIS 66 HE2 HIS 66 -13.249 -6.413 -6.615 Start of MODEL 11 1 H1 ALA 1 H1 ALA 1 -1.838 10.853 3.993 2 H2 ALA 1 H2 ALA 1 -3.108 11.975 4.100 3 H3 ALA 1 H3 ALA 1 -2.346 11.689 2.609 4 HA ALA 1 HA ALA 1 -4.616 10.464 3.563 5 HB1 ALA 1 HB1 ALA 1 -3.094 10.673 1.190 6 HB2 ALA 1 HB2 ALA 1 -4.724 10.020 1.358 7 HB3 ALA 1 HB3 ALA 1 -3.329 8.946 1.469 8 H ARG 2 H ARG 2 -5.050 8.518 4.541 9 HA ARG 2 HA ARG 2 -2.695 6.837 5.286 10 HB2 ARG 2 HB3 ARG 2 -3.935 7.781 7.198 11 HB3 ARG 2 HB2 ARG 2 -5.423 7.045 6.599 12 HG2 ARG 2 HG3 ARG 2 -4.374 4.802 6.806 13 HG3 ARG 2 HG2 ARG 2 -2.925 5.561 7.461 14 HD2 ARG 2 HD3 ARG 2 -5.690 5.786 8.681 15 HD3 ARG 2 HD2 ARG 2 -4.427 4.692 9.244 16 HE ARG 2 HE ARG 2 -3.678 7.539 9.136 17 HH11 ARG 2 HH22 ARG 2 -4.870 4.843 10.932 18 HH12 ARG 2 HH21 ARG 2 -4.419 5.500 12.468 19 HH21 ARG 2 HH11 ARG 2 -3.084 8.408 11.134 20 HH22 ARG 2 HH12 ARG 2 -3.409 7.517 12.583 21 H ASP 3 H ASP 3 -2.813 4.581 4.934 22 HA ASP 3 HA ASP 3 -5.236 3.582 3.527 23 HB2 ASP 3 HB3 ASP 3 -3.142 4.258 2.033 24 HB3 ASP 3 HB2 ASP 3 -2.555 2.679 2.557 25 H ALA 4 H ALA 4 -5.493 1.251 3.708 26 HA ALA 4 HA ALA 4 -4.152 0.204 6.134 27 HB1 ALA 4 HB1 ALA 4 -6.719 -0.433 4.711 28 HB2 ALA 4 HB2 ALA 4 -6.468 0.014 6.398 29 HB3 ALA 4 HB3 ALA 4 -6.016 -1.595 5.837 30 H TYR 5 H TYR 5 -5.477 -1.615 3.376 31 HA TYR 5 HA TYR 5 -2.980 -3.237 3.406 32 HB2 TYR 5 HB3 TYR 5 -5.474 -3.840 1.817 33 HB3 TYR 5 HB2 TYR 5 -4.241 -4.962 2.391 34 HD1 TYR 5 HD1 TYR 5 -4.123 -5.603 4.772 35 HD2 TYR 5 HD2 TYR 5 -7.215 -3.024 3.278 36 HE1 TYR 5 HE1 TYR 5 -5.423 -5.962 6.853 37 HE2 TYR 5 HE2 TYR 5 -8.519 -3.385 5.359 38 HH TYR 5 HH TYR 5 -8.050 -5.818 7.424 39 H ILE 6 H ILE 6 -4.378 -0.710 1.657 40 HA ILE 6 HA ILE 6 -3.002 -1.498 -0.858 41 HB ILE 6 HB ILE 6 -4.985 0.734 -0.345 42 HG12 ILE 6 HG13 ILE 6 -5.370 -1.963 -1.683 43 HG13 ILE 6 HG12 ILE 6 -5.929 -1.558 -0.059 44 HG21 ILE 6 HG21 ILE 6 -3.224 0.117 -2.540 45 HG22 ILE 6 HG22 ILE 6 -4.352 1.462 -2.375 46 HG23 ILE 6 HG23 ILE 6 -4.900 -0.070 -3.054 47 HD11 ILE 6 HD11 ILE 6 -7.805 -0.702 -0.958 48 HD12 ILE 6 HD12 ILE 6 -7.191 -0.992 -2.585 49 HD13 ILE 6 HD13 ILE 6 -6.823 0.523 -1.761 50 H ALA 7 H ALA 7 -1.385 -0.194 -1.740 51 HA ALA 7 HA ALA 7 -0.455 2.063 -0.016 52 HB1 ALA 7 HB1 ALA 7 1.669 1.272 -0.101 53 HB2 ALA 7 HB2 ALA 7 1.533 0.846 -1.805 54 HB3 ALA 7 HB3 ALA 7 0.920 -0.253 -0.570 55 H LYS 8 H LYS 8 -2.161 1.686 -2.646 56 HA LYS 8 HA LYS 8 -0.741 3.841 -4.148 57 HB2 LYS 8 HB3 LYS 8 -2.608 2.259 -5.750 58 HB3 LYS 8 HB2 LYS 8 -0.943 2.712 -6.103 59 HG2 LYS 8 HG3 LYS 8 -1.738 0.458 -4.233 60 HG3 LYS 8 HG2 LYS 8 -1.252 0.242 -5.911 61 HD2 LYS 8 HD3 LYS 8 0.635 1.899 -4.418 62 HD3 LYS 8 HD2 LYS 8 0.463 0.281 -3.735 63 HE2 LYS 8 HE3 LYS 8 0.968 -0.740 -5.876 64 HE3 LYS 8 HE2 LYS 8 0.966 0.835 -6.670 65 HZ1 LYS 8 HZ1 LYS 8 3.141 -0.400 -5.627 66 HZ2 LYS 8 HZ2 LYS 8 2.729 0.705 -4.409 67 HZ3 LYS 8 HZ3 LYS 8 3.028 1.256 -5.987 68 HA PRO 9 HA PRO 9 -4.408 6.231 -3.650 69 HB2 PRO 9 HB2 PRO 9 -4.577 7.487 -6.108 70 HB3 PRO 9 HB3 PRO 9 -3.492 7.984 -4.797 71 HG2 PRO 9 HG3 PRO 9 -2.908 6.407 -7.243 72 HG3 PRO 9 HG2 PRO 9 -1.909 7.601 -6.398 73 HD2 PRO 9 HD3 PRO 9 -1.492 4.911 -6.186 74 HD3 PRO 9 HD2 PRO 9 -1.099 6.052 -4.881 75 H HIS 10 H HIS 10 -4.258 4.465 -6.745 76 HA HIS 10 HA HIS 10 -7.150 3.834 -6.400 77 HB2 HIS 10 HB3 HIS 10 -5.803 4.637 -8.996 78 HB3 HIS 10 HB2 HIS 10 -7.476 4.102 -8.836 79 HD1 HIS 10 HD1 HIS 10 -5.213 7.010 -8.151 80 HD2 HIS 10 HD2 HIS 10 -9.224 6.002 -7.597 81 HE1 HIS 10 HE1 HIS 10 -6.412 9.153 -7.521 82 HE2 HIS 10 HE2 HIS 10 -8.852 8.550 -7.182 83 H ASN 11 H ASN 11 -4.071 2.677 -6.662 84 HA ASN 11 HA ASN 11 -4.988 0.136 -7.954 85 HB2 ASN 11 HB3 ASN 11 -2.172 1.246 -7.735 86 HB3 ASN 11 HB2 ASN 11 -2.629 -0.260 -8.531 87 HD21 ASN 11 HD22 ASN 11 -2.498 3.213 -8.892 88 HD22 ASN 11 HD21 ASN 11 -3.132 3.272 -10.466 89 H CYS 12 H CYS 12 -3.707 -1.809 -7.070 90 HA CYS 12 HA CYS 12 -3.488 -1.534 -4.100 91 HB2 CYS 12 HB3 CYS 12 -4.200 -3.996 -5.722 92 HB3 CYS 12 HB2 CYS 12 -4.173 -3.880 -3.962 93 H VAL 13 H VAL 13 -2.080 -3.511 -3.240 94 HA VAL 13 HA VAL 13 0.485 -3.349 -4.738 95 HB VAL 13 HB VAL 13 -0.027 -4.357 -1.925 96 HG11 VAL 13 HG11 VAL 13 2.500 -3.536 -3.389 97 HG12 VAL 13 HG12 VAL 13 2.052 -5.182 -2.938 98 HG13 VAL 13 HG13 VAL 13 2.415 -3.992 -1.687 99 HG21 VAL 13 HG21 VAL 13 -0.050 -2.222 -1.205 100 HG22 VAL 13 HG22 VAL 13 -0.228 -1.729 -2.889 101 HG23 VAL 13 HG23 VAL 13 1.376 -1.825 -2.163 102 H TYR 14 H TYR 14 1.407 -5.161 -5.626 103 HA TYR 14 HA TYR 14 -0.194 -7.554 -5.903 104 HB2 TYR 14 HB3 TYR 14 2.356 -8.269 -6.692 105 HB3 TYR 14 HB2 TYR 14 1.147 -7.521 -7.735 106 HD1 TYR 14 HD2 TYR 14 3.290 -6.234 -4.930 107 HD2 TYR 14 HD1 TYR 14 2.108 -5.849 -9.043 108 HE1 TYR 14 HE2 TYR 14 4.716 -4.218 -5.152 109 HE2 TYR 14 HE1 TYR 14 3.535 -3.832 -9.263 110 HH TYR 14 HH TYR 14 5.462 -2.635 -6.508 111 H GLU 15 H GLU 15 -0.442 -7.954 -3.533 112 HA GLU 15 HA GLU 15 0.106 -9.132 -1.584 113 HB2 GLU 15 HB3 GLU 15 0.452 -10.935 -3.315 114 HB3 GLU 15 HB2 GLU 15 2.158 -10.484 -3.357 115 HG2 GLU 15 HG3 GLU 15 2.304 -10.918 -0.910 116 HG3 GLU 15 HG2 GLU 15 0.627 -11.463 -0.931 117 H CYS 16 H CYS 16 1.035 -7.514 -0.307 118 HA CYS 16 HA CYS 16 3.666 -6.452 -0.737 119 HB2 CYS 16 HB3 CYS 16 2.237 -5.160 0.661 120 HB3 CYS 16 HB2 CYS 16 1.863 -6.543 1.690 121 H PHE 17 H PHE 17 5.470 -7.694 -0.665 122 HA PHE 17 HA PHE 17 5.577 -10.226 0.719 123 HB2 PHE 17 HB3 PHE 17 7.038 -10.142 -1.093 124 HB3 PHE 17 HB2 PHE 17 7.549 -8.494 -0.736 125 HD1 PHE 17 HD1 PHE 17 7.704 -11.992 0.576 126 HD2 PHE 17 HD2 PHE 17 9.499 -8.090 0.518 127 HE1 PHE 17 HE1 PHE 17 9.644 -12.865 1.851 128 HE2 PHE 17 HE2 PHE 17 11.438 -8.962 1.792 129 HZ PHE 17 HZ PHE 17 11.507 -11.349 2.461 130 H ASP 18 H ASP 18 6.429 -10.702 2.735 131 HA ASP 18 HA ASP 18 6.557 -8.574 4.673 132 HB2 ASP 18 HB3 ASP 18 7.363 -11.489 4.845 133 HB3 ASP 18 HB2 ASP 18 7.306 -10.393 6.227 134 H ALA 19 H ALA 19 8.286 -7.412 5.358 135 HA ALA 19 HA ALA 19 11.021 -8.446 4.976 136 HB1 ALA 19 HB1 ALA 19 11.783 -6.788 3.520 137 HB2 ALA 19 HB2 ALA 19 10.456 -5.694 3.911 138 HB3 ALA 19 HB3 ALA 19 10.167 -7.095 2.881 139 H PHE 20 H PHE 20 12.578 -7.211 6.257 140 HA PHE 20 HA PHE 20 11.595 -6.328 8.763 141 HB2 PHE 20 HB3 PHE 20 14.210 -5.694 7.364 142 HB3 PHE 20 HB2 PHE 20 13.880 -5.320 9.054 143 HD1 PHE 20 HD1 PHE 20 13.509 -7.137 10.701 144 HD2 PHE 20 HD2 PHE 20 14.617 -7.961 6.634 145 HE1 PHE 20 HE1 PHE 20 14.122 -9.453 11.338 146 HE2 PHE 20 HE2 PHE 20 15.230 -10.279 7.270 147 HZ PHE 20 HZ PHE 20 14.983 -11.024 9.623 148 H SER 21 H SER 21 12.466 -4.475 5.857 149 HA SER 21 HA SER 21 10.566 -2.451 6.156 150 HB2 SER 21 HB3 SER 21 11.357 -1.578 8.149 151 HB3 SER 21 HB2 SER 21 13.016 -2.068 7.822 152 HG SER 21 HG SER 21 13.324 -0.294 6.669 153 H SER 22 H SER 22 10.810 -2.787 3.839 154 HA SER 22 HA SER 22 12.584 -0.878 2.595 155 HB2 SER 22 HB3 SER 22 14.377 -2.357 2.750 156 HB3 SER 22 HB2 SER 22 13.346 -3.779 2.621 157 HG SER 22 HG SER 22 14.708 -2.856 0.715 158 H TYR 23 H TYR 23 11.225 -4.061 1.629 159 HA TYR 23 HA TYR 23 10.321 -3.176 -0.914 160 HB2 TYR 23 HB3 TYR 23 10.509 -5.565 -0.245 161 HB3 TYR 23 HB2 TYR 23 9.121 -5.353 0.822 162 HD1 TYR 23 HD2 TYR 23 10.247 -5.523 -2.683 163 HD2 TYR 23 HD1 TYR 23 6.876 -5.042 -0.064 164 HE1 TYR 23 HE2 TYR 23 8.710 -5.925 -4.588 165 HE2 TYR 23 HE1 TYR 23 5.339 -5.447 -1.969 166 HH TYR 23 HH TYR 23 6.557 -6.415 -5.138 167 H CYS 24 H CYS 24 8.370 -3.694 2.038 168 HA CYS 24 HA CYS 24 6.055 -2.375 0.921 169 HB2 CYS 24 HB3 CYS 24 6.018 -4.065 2.800 170 HB3 CYS 24 HB2 CYS 24 6.669 -2.809 3.852 171 H ASN 25 H ASN 25 8.402 -1.376 3.418 172 HA ASN 25 HA ASN 25 7.403 1.246 3.787 173 HB2 ASN 25 HB3 ASN 25 10.277 0.289 3.953 174 HB3 ASN 25 HB2 ASN 25 9.652 1.784 4.654 175 HD21 ASN 25 HD22 ASN 25 7.286 -0.659 4.793 176 HD22 ASN 25 HD21 ASN 25 7.541 -1.152 6.398 177 H GLY 26 H GLY 26 9.673 -0.036 1.388 178 HA2 GLY 26 HA3 GLY 26 10.462 2.467 0.267 179 HA3 GLY 26 HA2 GLY 26 10.486 0.926 -0.594 180 H VAL 27 H VAL 27 7.805 0.241 -0.609 181 HA VAL 27 HA VAL 27 6.788 1.912 -2.723 182 HB VAL 27 HB VAL 27 5.414 -0.204 -1.040 183 HG11 VAL 27 HG11 VAL 27 4.578 1.153 -3.621 184 HG12 VAL 27 HG12 VAL 27 3.760 1.271 -2.062 185 HG13 VAL 27 HG13 VAL 27 3.784 -0.264 -2.931 186 HG21 VAL 27 HG21 VAL 27 6.201 -0.571 -3.899 187 HG22 VAL 27 HG22 VAL 27 6.138 -1.755 -2.593 188 HG23 VAL 27 HG23 VAL 27 7.483 -0.619 -2.689 189 H CYS 28 H CYS 28 5.943 1.562 0.713 190 HA CYS 28 HA CYS 28 3.756 3.391 0.720 191 HB2 CYS 28 HB3 CYS 28 4.407 1.812 2.593 192 HB3 CYS 28 HB2 CYS 28 5.702 2.938 2.999 193 H THR 29 H THR 29 7.244 3.888 1.078 194 HA THR 29 HA THR 29 7.219 6.613 1.841 195 HB THR 29 HB THR 29 9.205 5.299 -0.037 196 HG1 THR 29 HG1 THR 29 10.307 4.998 2.057 197 HG21 THR 29 HG21 THR 29 10.760 6.952 0.862 198 HG22 THR 29 HG22 THR 29 9.511 7.576 1.940 199 HG23 THR 29 HG23 THR 29 9.349 7.775 0.195 200 H LYS 30 H LYS 30 6.997 5.138 -1.384 201 HA LYS 30 HA LYS 30 7.140 7.536 -2.906 202 HB2 LYS 30 HB3 LYS 30 5.452 5.093 -3.523 203 HB3 LYS 30 HB2 LYS 30 6.043 6.283 -4.682 204 HG2 LYS 30 HG3 LYS 30 7.799 4.490 -2.979 205 HG3 LYS 30 HG2 LYS 30 7.435 4.230 -4.685 206 HD2 LYS 30 HD3 LYS 30 8.354 6.625 -5.041 207 HD3 LYS 30 HD2 LYS 30 9.047 6.448 -3.427 208 HE2 LYS 30 HE3 LYS 30 9.843 4.106 -4.459 209 HE3 LYS 30 HE2 LYS 30 9.756 5.038 -5.953 210 HZ1 LYS 30 HZ1 LYS 30 11.605 5.256 -3.755 211 HZ2 LYS 30 HZ2 LYS 30 10.976 6.747 -4.264 212 HZ3 LYS 30 HZ3 LYS 30 11.777 5.742 -5.375 213 H ASN 31 H ASN 31 4.428 5.966 -1.269 214 HA ASN 31 HA ASN 31 2.338 7.618 -2.270 215 HB2 ASN 31 HB3 ASN 31 2.626 6.324 0.461 216 HB3 ASN 31 HB2 ASN 31 1.128 6.988 -0.190 217 HD21 ASN 31 HD22 ASN 31 1.396 4.201 0.492 218 HD22 ASN 31 HD21 ASN 31 1.294 3.297 -0.941 219 H GLY 32 H GLY 32 4.804 8.166 0.143 220 HA2 GLY 32 HA3 GLY 32 5.493 10.434 0.718 221 HA3 GLY 32 HA2 GLY 32 3.839 10.972 0.410 222 H ALA 33 H ALA 33 3.543 8.104 1.970 223 HA ALA 33 HA ALA 33 2.620 9.307 4.415 224 HB1 ALA 33 HB1 ALA 33 1.556 7.314 4.362 225 HB2 ALA 33 HB2 ALA 33 3.052 6.612 4.978 226 HB3 ALA 33 HB3 ALA 33 2.738 6.634 3.243 227 H LYS 34 H LYS 34 3.592 9.246 6.496 228 HA LYS 34 HA LYS 34 6.392 9.672 6.627 229 HB2 LYS 34 HB3 LYS 34 4.736 10.398 8.352 230 HB3 LYS 34 HB2 LYS 34 4.569 8.716 8.855 231 HG2 LYS 34 HG3 LYS 34 7.312 9.081 8.876 232 HG3 LYS 34 HG2 LYS 34 6.707 10.636 9.446 233 HD2 LYS 34 HD3 LYS 34 6.050 7.906 10.587 234 HD3 LYS 34 HD2 LYS 34 6.982 9.185 11.369 235 HE2 LYS 34 HE3 LYS 34 4.675 10.519 10.753 236 HE3 LYS 34 HE2 LYS 34 4.056 8.899 11.076 237 HZ1 LYS 34 HZ1 LYS 34 5.669 10.619 12.871 238 HZ2 LYS 34 HZ2 LYS 34 5.426 8.966 13.161 239 HZ3 LYS 34 HZ3 LYS 34 4.098 10.024 13.128 240 H SER 35 H SER 35 4.556 6.806 7.755 241 HA SER 35 HA SER 35 6.864 5.113 6.990 242 HB2 SER 35 HB3 SER 35 7.159 5.734 9.399 243 HB3 SER 35 HB2 SER 35 5.593 5.006 9.744 244 HG SER 35 HG SER 35 7.829 3.699 8.570 245 H GLY 36 H GLY 36 6.248 2.803 6.887 246 HA2 GLY 36 HA3 GLY 36 3.324 2.318 6.953 247 HA3 GLY 36 HA2 GLY 36 4.182 2.004 5.447 248 H TYR 37 H TYR 37 2.773 0.057 7.082 249 HA TYR 37 HA TYR 37 5.071 -1.736 7.761 250 HB2 TYR 37 HB3 TYR 37 2.366 -1.723 9.131 251 HB3 TYR 37 HB2 TYR 37 3.772 -2.693 9.571 252 HD1 TYR 37 HD2 TYR 37 6.000 -1.255 9.964 253 HD2 TYR 37 HD1 TYR 37 1.987 0.237 10.316 254 HE1 TYR 37 HE2 TYR 37 6.814 0.586 11.413 255 HE2 TYR 37 HE1 TYR 37 2.802 2.080 11.766 256 HH TYR 37 HH TYR 37 4.953 2.343 13.368 257 H CYS 38 H CYS 38 4.694 -3.994 7.257 258 HA CYS 38 HA CYS 38 2.641 -4.350 5.145 259 HB2 CYS 38 HB3 CYS 38 5.062 -4.903 4.696 260 HB3 CYS 38 HB2 CYS 38 4.914 -6.210 5.870 261 H GLN 39 H GLN 39 0.793 -5.313 5.735 262 HA GLN 39 HA GLN 39 0.852 -7.200 8.056 263 HB2 GLN 39 HB3 GLN 39 -1.391 -5.408 7.074 264 HB3 GLN 39 HB2 GLN 39 -1.518 -6.549 8.416 265 HG2 GLN 39 HG3 GLN 39 0.338 -5.364 9.571 266 HG3 GLN 39 HG2 GLN 39 0.385 -4.192 8.255 267 HE21 GLN 39 HE22 GLN 39 -2.812 -4.943 8.440 268 HE22 GLN 39 HE21 GLN 39 -3.329 -3.766 9.548 269 H ILE 40 H ILE 40 -1.545 -8.444 7.778 270 HA ILE 40 HA ILE 40 -1.112 -9.990 5.291 271 HB ILE 40 HB ILE 40 -2.522 -11.686 6.319 272 HG12 ILE 40 HG13 ILE 40 -2.966 -9.649 8.529 273 HG13 ILE 40 HG12 ILE 40 -4.180 -10.154 7.353 274 HG21 ILE 40 HG21 ILE 40 -1.159 -12.215 8.240 275 HG22 ILE 40 HG22 ILE 40 -0.710 -10.522 8.451 276 HG23 ILE 40 HG23 ILE 40 -0.121 -11.423 7.053 277 HD11 ILE 40 HD11 ILE 40 -2.875 -11.836 9.499 278 HD12 ILE 40 HD12 ILE 40 -3.786 -12.540 8.162 279 HD13 ILE 40 HD13 ILE 40 -4.588 -11.463 9.307 280 H LEU 41 H LEU 41 -2.845 -10.437 3.834 281 HA LEU 41 HA LEU 41 -4.758 -8.210 3.612 282 HB2 LEU 41 HB3 LEU 41 -3.414 -9.099 1.655 283 HB3 LEU 41 HB2 LEU 41 -4.371 -10.574 1.752 284 HG LEU 41 HG LEU 41 -6.439 -9.187 1.492 285 HD11 LEU 41 HD11 LEU 41 -5.993 -7.007 2.107 286 HD12 LEU 41 HD12 LEU 41 -5.749 -6.860 0.367 287 HD13 LEU 41 HD13 LEU 41 -4.362 -7.042 1.440 288 HD21 LEU 41 HD21 LEU 41 -5.559 -10.279 -0.470 289 HD22 LEU 41 HD22 LEU 41 -4.309 -9.049 -0.657 290 HD23 LEU 41 HD23 LEU 41 -6.000 -8.637 -0.942 291 H GLY 42 H GLY 42 -6.943 -8.411 4.047 292 HA2 GLY 42 HA3 GLY 42 -8.018 -10.405 5.656 293 HA3 GLY 42 HA2 GLY 42 -9.004 -9.474 4.524 294 H THR 43 H THR 43 -7.477 -10.441 2.211 295 HA THR 43 HA THR 43 -8.617 -13.190 2.053 296 HB THR 43 HB THR 43 -8.881 -12.844 -0.310 297 HG1 THR 43 HG1 THR 43 -6.811 -11.618 -0.357 298 HG21 THR 43 HG21 THR 43 -10.471 -11.639 1.297 299 HG22 THR 43 HG22 THR 43 -10.439 -11.049 -0.365 300 HG23 THR 43 HG23 THR 43 -9.583 -10.167 0.900 301 H TYR 44 H TYR 44 -7.252 -14.433 0.187 302 HA TYR 44 HA TYR 44 -4.728 -15.022 1.255 303 HB2 TYR 44 HB3 TYR 44 -5.562 -15.180 -1.658 304 HB3 TYR 44 HB2 TYR 44 -4.205 -16.042 -0.931 305 HD1 TYR 44 HD2 TYR 44 -4.581 -17.839 0.707 306 HD2 TYR 44 HD1 TYR 44 -7.849 -15.839 -1.227 307 HE1 TYR 44 HE2 TYR 44 -6.116 -19.649 1.435 308 HE2 TYR 44 HE1 TYR 44 -9.388 -17.647 -0.501 309 HH TYR 44 HH TYR 44 -8.653 -19.837 1.875 310 H GLY 45 H GLY 45 -2.554 -14.494 0.372 311 HA2 GLY 45 HA3 GLY 45 -1.025 -13.032 -0.763 312 HA3 GLY 45 HA2 GLY 45 -2.375 -11.970 -1.163 313 H ASN 46 H ASN 46 -0.756 -10.313 -0.328 314 HA ASN 46 HA ASN 46 -1.215 -9.910 2.577 315 HB2 ASN 46 HB3 ASN 46 1.378 -10.178 1.152 316 HB3 ASN 46 HB2 ASN 46 1.266 -8.876 2.332 317 HD21 ASN 46 HD22 ASN 46 0.904 -9.467 4.597 318 HD22 ASN 46 HD21 ASN 46 1.129 -11.061 5.135 319 H GLY 47 H GLY 47 -0.550 -7.532 3.138 320 HA2 GLY 47 HA3 GLY 47 -0.962 -5.734 0.799 321 HA3 GLY 47 HA2 GLY 47 -2.052 -5.590 2.178 322 H CYS 48 H CYS 48 -0.461 -3.436 1.372 323 HA CYS 48 HA CYS 48 1.721 -3.344 3.381 324 HB2 CYS 48 HB3 CYS 48 1.268 -2.074 0.762 325 HB3 CYS 48 HB2 CYS 48 1.919 -0.995 1.996 326 H TRP 49 H TRP 49 1.801 -1.545 4.860 327 HA TRP 49 HA TRP 49 -0.852 -0.237 5.274 328 HB2 TRP 49 HB3 TRP 49 0.180 -1.957 6.986 329 HB3 TRP 49 HB2 TRP 49 1.171 -0.580 7.463 330 HD1 TRP 49 HD1 TRP 49 0.037 1.360 8.760 331 HE1 TRP 49 HE1 TRP 49 -2.300 1.679 9.803 332 HE3 TRP 49 HE3 TRP 49 -2.403 -2.591 6.651 333 HZ2 TRP 49 HZ2 TRP 49 -4.868 0.414 9.749 334 HZ3 TRP 49 HZ3 TRP 49 -4.790 -3.015 7.162 335 HH2 TRP 49 HH2 TRP 49 -6.026 -1.519 8.708 336 H CYS 50 H CYS 50 -0.872 2.007 5.516 337 HA CYS 50 HA CYS 50 1.780 3.376 5.663 338 HB2 CYS 50 HB3 CYS 50 -0.442 3.866 3.678 339 HB3 CYS 50 HB2 CYS 50 0.775 5.090 4.037 340 H ILE 51 H ILE 51 1.789 4.806 7.317 341 HA ILE 51 HA ILE 51 -0.809 6.017 8.158 342 HB ILE 51 HB ILE 51 1.507 5.179 9.923 343 HG12 ILE 51 HG13 ILE 51 -1.213 4.089 10.321 344 HG13 ILE 51 HG12 ILE 51 -0.415 3.572 8.836 345 HG21 ILE 51 HG21 ILE 51 -0.813 6.953 10.307 346 HG22 ILE 51 HG22 ILE 51 0.668 6.817 11.255 347 HG23 ILE 51 HG23 ILE 51 -0.664 5.696 11.534 348 HD11 ILE 51 HD11 ILE 51 0.005 2.130 10.918 349 HD12 ILE 51 HD12 ILE 51 0.975 3.476 11.518 350 HD13 ILE 51 HD13 ILE 51 1.433 2.655 10.025 351 H ALA 52 H ALA 52 -0.808 8.224 8.273 352 HA ALA 52 HA ALA 52 1.456 9.812 8.987 353 HB1 ALA 52 HB1 ALA 52 2.412 10.451 7.000 354 HB2 ALA 52 HB2 ALA 52 0.907 10.264 6.099 355 HB3 ALA 52 HB3 ALA 52 1.871 8.846 6.509 356 H LEU 53 H LEU 53 -1.045 10.193 6.463 357 HA LEU 53 HA LEU 53 -2.310 12.281 8.179 358 HB2 LEU 53 HB3 LEU 53 -1.001 13.471 6.531 359 HB3 LEU 53 HB2 LEU 53 -1.648 12.470 5.231 360 HG LEU 53 HG LEU 53 -3.851 13.401 5.503 361 HD11 LEU 53 HD11 LEU 53 -2.676 14.532 8.037 362 HD12 LEU 53 HD12 LEU 53 -4.155 13.591 7.830 363 HD13 LEU 53 HD13 LEU 53 -4.094 15.270 7.291 364 HD21 LEU 53 HD21 LEU 53 -3.406 15.807 5.112 365 HD22 LEU 53 HD22 LEU 53 -2.268 14.789 4.229 366 HD23 LEU 53 HD23 LEU 53 -1.763 15.592 5.716 367 HA PRO 54 HA PRO 54 -5.510 9.330 6.664 368 HB2 PRO 54 HB2 PRO 54 -6.995 9.311 8.965 369 HB3 PRO 54 HB3 PRO 54 -5.613 8.239 8.679 370 HG2 PRO 54 HG3 PRO 54 -5.814 10.655 10.361 371 HG3 PRO 54 HG2 PRO 54 -4.794 9.222 10.549 372 HD2 PRO 54 HD3 PRO 54 -3.945 11.701 9.574 373 HD3 PRO 54 HD2 PRO 54 -3.070 10.167 9.383 374 H ASP 55 H ASP 55 -5.798 12.477 8.176 375 HA ASP 55 HA ASP 55 -8.564 12.963 7.779 376 HB2 ASP 55 HB3 ASP 55 -6.922 14.452 9.013 377 HB3 ASP 55 HB2 ASP 55 -6.360 15.013 7.437 378 H ASN 56 H ASN 56 -5.829 13.170 5.548 379 HA ASN 56 HA ASN 56 -7.356 14.381 3.403 380 HB2 ASN 56 HB3 ASN 56 -4.813 14.402 3.674 381 HB3 ASN 56 HB2 ASN 56 -4.839 12.736 3.097 382 HD21 ASN 56 HD22 ASN 56 -3.476 14.439 1.458 383 HD22 ASN 56 HD21 ASN 56 -4.384 14.833 0.080 384 H VAL 57 H VAL 57 -8.313 13.372 1.625 385 HA VAL 57 HA VAL 57 -9.812 11.127 1.778 386 HB VAL 57 HB VAL 57 -8.161 11.894 -0.643 387 HG11 VAL 57 HG11 VAL 57 -10.423 9.972 -0.197 388 HG12 VAL 57 HG12 VAL 57 -8.990 9.790 -1.208 389 HG13 VAL 57 HG13 VAL 57 -10.313 10.830 -1.734 390 HG21 VAL 57 HG21 VAL 57 -9.506 13.758 0.089 391 HG22 VAL 57 HG22 VAL 57 -10.902 12.714 0.361 392 HG23 VAL 57 HG23 VAL 57 -10.339 13.024 -1.282 393 HA PRO 58 HA PRO 58 -6.383 8.150 2.325 394 HB2 PRO 58 HB2 PRO 58 -7.572 6.571 4.154 395 HB3 PRO 58 HB3 PRO 58 -6.899 8.156 4.587 396 HG2 PRO 58 HG3 PRO 58 -9.726 7.348 4.190 397 HG3 PRO 58 HG2 PRO 58 -9.029 8.516 5.322 398 HD2 PRO 58 HD3 PRO 58 -10.268 9.139 2.870 399 HD3 PRO 58 HD2 PRO 58 -9.264 10.236 3.838 400 H ILE 59 H ILE 59 -9.673 6.759 2.556 401 HA ILE 59 HA ILE 59 -8.952 4.915 0.325 402 HB ILE 59 HB ILE 59 -10.864 4.411 2.625 403 HG12 ILE 59 HG13 ILE 59 -8.128 3.212 2.083 404 HG13 ILE 59 HG12 ILE 59 -8.439 4.476 3.273 405 HG21 ILE 59 HG21 ILE 59 -11.483 3.232 0.563 406 HG22 ILE 59 HG22 ILE 59 -10.842 2.089 1.745 407 HG23 ILE 59 HG23 ILE 59 -9.836 2.624 0.399 408 HD11 ILE 59 HD11 ILE 59 -10.368 2.503 3.791 409 HD12 ILE 59 HD12 ILE 59 -8.928 2.847 4.751 410 HD13 ILE 59 HD13 ILE 59 -8.875 1.615 3.490 411 H ARG 60 H ARG 60 -10.299 4.996 -1.429 412 HA ARG 60 HA ARG 60 -12.985 6.225 -1.083 413 HB2 ARG 60 HB3 ARG 60 -12.662 7.649 -3.016 414 HB3 ARG 60 HB2 ARG 60 -11.324 7.939 -1.901 415 HG2 ARG 60 HG3 ARG 60 -10.018 6.187 -3.210 416 HG3 ARG 60 HG2 ARG 60 -11.301 6.261 -4.418 417 HD2 ARG 60 HD3 ARG 60 -9.565 8.565 -3.494 418 HD3 ARG 60 HD2 ARG 60 -9.506 7.771 -5.068 419 HE ARG 60 HE ARG 60 -11.476 9.754 -4.223 420 HH11 ARG 60 HH22 ARG 60 -10.736 7.072 -6.257 421 HH12 ARG 60 HH21 ARG 60 -11.902 7.496 -7.466 422 HH21 ARG 60 HH11 ARG 60 -13.003 10.325 -5.788 423 HH22 ARG 60 HH12 ARG 60 -13.185 9.338 -7.200 424 H ILE 61 H ILE 61 -10.855 4.010 -2.677 425 HA ILE 61 HA ILE 61 -12.968 3.209 -4.597 426 HB ILE 61 HB ILE 61 -10.994 1.504 -5.173 427 HG12 ILE 61 HG13 ILE 61 -8.803 2.551 -4.781 428 HG13 ILE 61 HG12 ILE 61 -9.575 3.862 -3.890 429 HG21 ILE 61 HG21 ILE 61 -11.859 3.134 -6.742 430 HG22 ILE 61 HG22 ILE 61 -10.100 3.267 -6.726 431 HG23 ILE 61 HG23 ILE 61 -11.082 4.452 -5.866 432 HD11 ILE 61 HD11 ILE 61 -8.558 1.797 -2.595 433 HD12 ILE 61 HD12 ILE 61 -10.082 1.030 -3.039 434 HD13 ILE 61 HD13 ILE 61 -10.086 2.503 -2.069 435 HA PRO 62 HA PRO 62 -14.322 -0.206 -2.161 436 HB2 PRO 62 HB2 PRO 62 -14.835 -2.077 -4.117 437 HB3 PRO 62 HB3 PRO 62 -15.898 -0.706 -3.750 438 HG2 PRO 62 HG3 PRO 62 -13.924 -1.038 -5.945 439 HG3 PRO 62 HG2 PRO 62 -15.508 -0.244 -5.956 440 HD2 PRO 62 HD3 PRO 62 -13.154 1.145 -5.840 441 HD3 PRO 62 HD2 PRO 62 -14.670 1.746 -5.132 442 H GLY 63 H GLY 63 -11.473 -0.418 -4.023 443 HA2 GLY 63 HA3 GLY 63 -9.523 -1.659 -3.426 444 HA3 GLY 63 HA2 GLY 63 -10.514 -2.647 -2.351 445 H LYS 64 H LYS 64 -11.673 -2.075 -5.553 446 HA LYS 64 HA LYS 64 -11.965 -4.808 -6.204 447 HB2 LYS 64 HB3 LYS 64 -13.118 -2.915 -7.363 448 HB3 LYS 64 HB2 LYS 64 -11.590 -2.509 -8.147 449 HG2 LYS 64 HG3 LYS 64 -11.515 -4.790 -9.134 450 HG3 LYS 64 HG2 LYS 64 -13.082 -5.137 -8.402 451 HD2 LYS 64 HD3 LYS 64 -14.039 -3.187 -9.648 452 HD3 LYS 64 HD2 LYS 64 -12.486 -2.996 -10.463 453 HE2 LYS 64 HE3 LYS 64 -13.237 -4.471 -11.996 454 HE3 LYS 64 HE2 LYS 64 -13.076 -5.709 -10.752 455 HZ1 LYS 64 HZ1 LYS 64 -15.305 -5.658 -11.703 456 HZ2 LYS 64 HZ2 LYS 64 -15.492 -4.045 -11.215 457 HZ3 LYS 64 HZ3 LYS 64 -15.332 -5.271 -10.050 458 H CYS 65 H CYS 65 -9.261 -2.605 -6.760 459 HA CYS 65 HA CYS 65 -7.077 -3.020 -7.505 460 HB2 CYS 65 HB3 CYS 65 -7.707 -5.874 -6.692 461 HB3 CYS 65 HB2 CYS 65 -6.106 -5.163 -6.879 462 H HIS 66 H HIS 66 -8.460 -6.196 -8.329 463 HA HIS 66 HA HIS 66 -8.092 -5.499 -11.218 464 HB2 HIS 66 HB3 HIS 66 -7.530 -8.179 -9.912 465 HB3 HIS 66 HB2 HIS 66 -7.313 -7.784 -11.617 466 HD1 HIS 66 HD1 HIS 66 -5.571 -5.681 -12.039 467 HD2 HIS 66 HD2 HIS 66 -5.269 -7.687 -8.393 468 HE1 HIS 66 HE1 HIS 66 -3.296 -5.098 -11.085 469 HE2 HIS 66 HE2 HIS 66 -3.102 -6.313 -8.867 Start of MODEL 12 1 H1 ALA 1 H1 ALA 1 -3.070 9.369 0.491 2 H2 ALA 1 H2 ALA 1 -4.224 10.608 0.348 3 H3 ALA 1 H3 ALA 1 -4.688 9.070 0.903 4 HA ALA 1 HA ALA 1 -2.894 10.968 2.311 5 HB1 ALA 1 HB1 ALA 1 -5.359 11.502 2.296 6 HB2 ALA 1 HB2 ALA 1 -4.702 11.186 3.901 7 HB3 ALA 1 HB3 ALA 1 -5.641 9.944 3.071 8 H ARG 2 H ARG 2 -4.862 8.033 2.835 9 HA ARG 2 HA ARG 2 -2.496 6.839 4.217 10 HB2 ARG 2 HB3 ARG 2 -4.233 7.717 5.835 11 HB3 ARG 2 HB2 ARG 2 -5.363 6.548 5.152 12 HG2 ARG 2 HG3 ARG 2 -3.846 4.710 5.755 13 HG3 ARG 2 HG2 ARG 2 -2.693 5.871 6.413 14 HD2 ARG 2 HD3 ARG 2 -3.982 4.983 8.259 15 HD3 ARG 2 HD2 ARG 2 -4.492 6.651 7.993 16 HE ARG 2 HE ARG 2 -6.623 5.831 7.414 17 HH11 ARG 2 HH22 ARG 2 -4.196 3.392 7.178 18 HH12 ARG 2 HH21 ARG 2 -5.321 2.119 6.844 19 HH21 ARG 2 HH11 ARG 2 -8.106 4.181 6.980 20 HH22 ARG 2 HH12 ARG 2 -7.534 2.564 6.732 21 H ASP 3 H ASP 3 -2.095 4.737 3.597 22 HA ASP 3 HA ASP 3 -3.965 3.546 1.630 23 HB2 ASP 3 HB3 ASP 3 -1.142 2.780 2.426 24 HB3 ASP 3 HB2 ASP 3 -2.093 1.955 1.193 25 H ALA 4 H ALA 4 -4.776 1.398 1.919 26 HA ALA 4 HA ALA 4 -4.776 0.507 4.765 27 HB1 ALA 4 HB1 ALA 4 -6.995 1.087 3.991 28 HB2 ALA 4 HB2 ALA 4 -6.906 -0.668 4.133 29 HB3 ALA 4 HB3 ALA 4 -6.796 0.094 2.547 30 H TYR 5 H TYR 5 -5.892 -1.494 2.120 31 HA TYR 5 HA TYR 5 -3.799 -3.480 2.843 32 HB2 TYR 5 HB3 TYR 5 -6.144 -3.906 0.981 33 HB3 TYR 5 HB2 TYR 5 -5.224 -5.122 1.868 34 HD1 TYR 5 HD2 TYR 5 -5.534 -5.425 4.287 35 HD2 TYR 5 HD1 TYR 5 -7.832 -2.554 2.071 36 HE1 TYR 5 HE2 TYR 5 -7.116 -5.229 6.188 37 HE2 TYR 5 HE1 TYR 5 -9.419 -2.358 3.971 38 HH TYR 5 HH TYR 5 -9.899 -2.999 6.036 39 H ILE 6 H ILE 6 -4.638 -1.243 0.377 40 HA ILE 6 HA ILE 6 -2.851 -2.607 -1.576 41 HB ILE 6 HB ILE 6 -4.790 -0.320 -2.016 42 HG12 ILE 6 HG13 ILE 6 -5.057 -3.263 -2.709 43 HG13 ILE 6 HG12 ILE 6 -5.900 -2.463 -1.381 44 HG21 ILE 6 HG21 ILE 6 -2.651 -1.368 -3.579 45 HG22 ILE 6 HG22 ILE 6 -3.837 -0.148 -4.043 46 HG23 ILE 6 HG23 ILE 6 -4.161 -1.855 -4.348 47 HD11 ILE 6 HD11 ILE 6 -6.619 -2.544 -4.162 48 HD12 ILE 6 HD12 ILE 6 -6.313 -0.872 -3.694 49 HD13 ILE 6 HD13 ILE 6 -7.507 -1.828 -2.816 50 H ALA 7 H ALA 7 -0.962 -1.613 -2.213 51 HA ALA 7 HA ALA 7 -0.348 1.016 -0.932 52 HB1 ALA 7 HB1 ALA 7 1.495 0.000 -0.146 53 HB2 ALA 7 HB2 ALA 7 2.035 -0.237 -1.809 54 HB3 ALA 7 HB3 ALA 7 1.074 -1.481 -1.008 55 H LYS 8 H LYS 8 -1.473 0.100 -3.732 56 HA LYS 8 HA LYS 8 0.371 1.848 -5.295 57 HB2 LYS 8 HB3 LYS 8 -1.181 -0.106 -6.854 58 HB3 LYS 8 HB2 LYS 8 0.520 0.327 -6.980 59 HG2 LYS 8 HG3 LYS 8 -0.653 -1.484 -4.844 60 HG3 LYS 8 HG2 LYS 8 0.232 -2.030 -6.266 61 HD2 LYS 8 HD3 LYS 8 1.729 0.027 -4.883 62 HD3 LYS 8 HD2 LYS 8 1.329 -1.293 -3.782 63 HE2 LYS 8 HE3 LYS 8 2.250 -2.920 -5.384 64 HE3 LYS 8 HE2 LYS 8 2.635 -1.611 -6.502 65 HZ1 LYS 8 HZ1 LYS 8 4.406 -2.517 -4.825 66 HZ2 LYS 8 HZ2 LYS 8 3.642 -1.445 -3.755 67 HZ3 LYS 8 HZ3 LYS 8 4.326 -0.861 -5.197 68 HA PRO 9 HA PRO 9 -3.135 4.366 -6.165 69 HB2 PRO 9 HB2 PRO 9 -2.692 4.983 -8.835 70 HB3 PRO 9 HB3 PRO 9 -1.915 5.790 -7.461 71 HG2 PRO 9 HG3 PRO 9 -0.864 3.674 -9.253 72 HG3 PRO 9 HG2 PRO 9 -0.025 5.037 -8.497 73 HD2 PRO 9 HD3 PRO 9 0.202 2.490 -7.568 74 HD3 PRO 9 HD2 PRO 9 0.302 3.906 -6.501 75 H HIS 10 H HIS 10 -2.542 1.659 -8.343 76 HA HIS 10 HA HIS 10 -5.469 1.320 -8.585 77 HB2 HIS 10 HB3 HIS 10 -4.567 2.692 -10.561 78 HB3 HIS 10 HB2 HIS 10 -3.731 1.220 -11.055 79 HD1 HIS 10 HD1 HIS 10 -7.281 2.098 -9.935 80 HD2 HIS 10 HD2 HIS 10 -5.312 -0.250 -12.768 81 HE1 HIS 10 HE1 HIS 10 -9.086 0.971 -11.315 82 HE2 HIS 10 HE2 HIS 10 -7.898 -0.460 -13.041 83 H ASN 11 H ASN 11 -2.407 0.070 -8.136 84 HA ASN 11 HA ASN 11 -3.270 -2.682 -8.925 85 HB2 ASN 11 HB3 ASN 11 -0.472 -1.636 -8.396 86 HB3 ASN 11 HB2 ASN 11 -0.888 -3.251 -8.968 87 HD21 ASN 11 HD22 ASN 11 -0.374 0.051 -9.950 88 HD22 ASN 11 HD21 ASN 11 -0.719 -0.172 -11.598 89 H CYS 12 H CYS 12 -2.443 -4.411 -7.397 90 HA CYS 12 HA CYS 12 -2.505 -3.423 -4.571 91 HB2 CYS 12 HB3 CYS 12 -3.476 -6.125 -5.535 92 HB3 CYS 12 HB2 CYS 12 -3.728 -5.395 -3.950 93 H VAL 13 H VAL 13 -1.320 -4.887 -3.041 94 HA VAL 13 HA VAL 13 1.296 -5.533 -4.067 95 HB VAL 13 HB VAL 13 0.015 -6.383 -1.451 96 HG11 VAL 13 HG11 VAL 13 2.640 -6.790 -2.670 97 HG12 VAL 13 HG12 VAL 13 1.943 -7.547 -1.238 98 HG13 VAL 13 HG13 VAL 13 2.748 -5.984 -1.106 99 HG21 VAL 13 HG21 VAL 13 0.282 -4.263 -0.721 100 HG22 VAL 13 HG22 VAL 13 0.590 -3.798 -2.395 101 HG23 VAL 13 HG23 VAL 13 1.936 -4.206 -1.331 102 H TYR 14 H TYR 14 2.014 -7.434 -4.929 103 HA TYR 14 HA TYR 14 0.106 -9.580 -5.421 104 HB2 TYR 14 HB3 TYR 14 1.838 -10.592 -6.722 105 HB3 TYR 14 HB2 TYR 14 1.989 -8.855 -6.986 106 HD1 TYR 14 HD1 TYR 14 3.740 -7.550 -5.763 107 HD2 TYR 14 HD2 TYR 14 3.559 -11.840 -5.612 108 HE1 TYR 14 HE1 TYR 14 6.072 -7.619 -4.921 109 HE2 TYR 14 HE2 TYR 14 5.891 -11.907 -4.770 110 HH TYR 14 HH TYR 14 7.829 -8.947 -4.484 111 H GLU 15 H GLU 15 2.990 -9.163 -3.394 112 HA GLU 15 HA GLU 15 2.026 -10.932 -1.357 113 HB2 GLU 15 HB3 GLU 15 2.613 -12.602 -3.186 114 HB3 GLU 15 HB2 GLU 15 4.291 -12.088 -3.007 115 HG2 GLU 15 HG3 GLU 15 3.976 -14.042 -1.624 116 HG3 GLU 15 HG2 GLU 15 4.117 -12.646 -0.554 117 H CYS 16 H CYS 16 2.789 -9.383 0.096 118 HA CYS 16 HA CYS 16 5.338 -8.098 -0.112 119 HB2 CYS 16 HB3 CYS 16 3.455 -7.271 1.302 120 HB3 CYS 16 HB2 CYS 16 3.725 -8.624 2.402 121 H PHE 17 H PHE 17 7.306 -8.573 0.971 122 HA PHE 17 HA PHE 17 7.507 -11.367 2.030 123 HB2 PHE 17 HB3 PHE 17 9.355 -11.774 0.739 124 HB3 PHE 17 HB2 PHE 17 8.627 -10.545 -0.292 125 HD1 PHE 17 HD2 PHE 17 9.255 -8.059 0.241 126 HD2 PHE 17 HD1 PHE 17 11.522 -11.458 1.565 127 HE1 PHE 17 HE2 PHE 17 11.239 -6.609 0.575 128 HE2 PHE 17 HE1 PHE 17 13.505 -10.007 1.897 129 HZ PHE 17 HZ PHE 17 13.363 -7.584 1.401 130 H ASP 18 H ASP 18 10.214 -11.111 2.889 131 HA ASP 18 HA ASP 18 9.868 -9.980 5.462 132 HB2 ASP 18 HB3 ASP 18 12.416 -10.484 3.898 133 HB3 ASP 18 HB2 ASP 18 12.372 -10.075 5.612 134 H ALA 19 H ALA 19 10.352 -7.956 6.318 135 HA ALA 19 HA ALA 19 10.322 -5.727 4.455 136 HB1 ALA 19 HB1 ALA 19 10.223 -6.082 7.407 137 HB2 ALA 19 HB2 ALA 19 9.201 -5.102 6.357 138 HB3 ALA 19 HB3 ALA 19 10.805 -4.527 6.813 139 H PHE 20 H PHE 20 12.797 -7.701 5.115 140 HA PHE 20 HA PHE 20 14.953 -6.138 6.012 141 HB2 PHE 20 HB3 PHE 20 15.067 -8.581 5.466 142 HB3 PHE 20 HB2 PHE 20 15.058 -8.161 3.753 143 HD1 PHE 20 HD1 PHE 20 16.971 -7.888 6.917 144 HD2 PHE 20 HD2 PHE 20 17.002 -7.245 2.670 145 HE1 PHE 20 HE1 PHE 20 19.419 -7.503 6.993 146 HE2 PHE 20 HE2 PHE 20 19.451 -6.860 2.747 147 HZ PHE 20 HZ PHE 20 20.659 -6.989 4.908 148 H SER 21 H SER 21 13.662 -6.417 2.691 149 HA SER 21 HA SER 21 15.480 -4.275 1.793 150 HB2 SER 21 HB3 SER 21 14.907 -6.275 0.345 151 HB3 SER 21 HB2 SER 21 13.272 -5.632 0.224 152 HG SER 21 HG SER 21 14.003 -4.348 -1.254 153 H SER 22 H SER 22 12.592 -4.412 3.407 154 HA SER 22 HA SER 22 10.873 -2.860 3.770 155 HB2 SER 22 HB3 SER 22 13.209 -1.208 2.881 156 HB3 SER 22 HB2 SER 22 11.639 -0.427 3.041 157 HG SER 22 HG SER 22 13.111 -0.572 4.964 158 H TYR 23 H TYR 23 10.356 -4.326 1.559 159 HA TYR 23 HA TYR 23 10.115 -2.907 -0.903 160 HB2 TYR 23 HB3 TYR 23 9.863 -5.355 -0.738 161 HB3 TYR 23 HB2 TYR 23 8.375 -5.141 0.186 162 HD1 TYR 23 HD2 TYR 23 9.952 -4.832 -3.130 163 HD2 TYR 23 HD1 TYR 23 6.335 -4.322 -0.869 164 HE1 TYR 23 HE2 TYR 23 8.663 -4.629 -5.239 165 HE2 TYR 23 HE1 TYR 23 5.046 -4.121 -2.979 166 HH TYR 23 HH TYR 23 5.467 -3.493 -5.336 167 H CYS 24 H CYS 24 7.640 -3.501 1.611 168 HA CYS 24 HA CYS 24 5.731 -1.712 0.378 169 HB2 CYS 24 HB3 CYS 24 5.841 -3.439 2.709 170 HB3 CYS 24 HB2 CYS 24 5.088 -1.893 3.100 171 H ASN 25 H ASN 25 7.788 -1.420 3.278 172 HA ASN 25 HA ASN 25 7.134 1.281 3.861 173 HB2 ASN 25 HB3 ASN 25 9.763 -0.167 4.315 174 HB3 ASN 25 HB2 ASN 25 9.263 1.325 5.114 175 HD21 ASN 25 HD22 ASN 25 6.572 -0.691 4.570 176 HD22 ASN 25 HD21 ASN 25 6.480 -1.392 6.113 177 H GLY 26 H GLY 26 9.516 -0.137 1.668 178 HA2 GLY 26 HA3 GLY 26 10.876 2.273 0.969 179 HA3 GLY 26 HA2 GLY 26 10.764 0.845 -0.062 180 H VAL 27 H VAL 27 7.920 0.755 -0.297 181 HA VAL 27 HA VAL 27 7.511 2.553 -2.478 182 HB VAL 27 HB VAL 27 5.532 1.007 -0.779 183 HG11 VAL 27 HG11 VAL 27 4.065 1.381 -2.869 184 HG12 VAL 27 HG12 VAL 27 5.175 2.694 -3.258 185 HG13 VAL 27 HG13 VAL 27 4.246 2.740 -1.760 186 HG21 VAL 27 HG21 VAL 27 5.991 -0.750 -2.131 187 HG22 VAL 27 HG22 VAL 27 7.418 0.152 -2.641 188 HG23 VAL 27 HG23 VAL 27 5.927 0.256 -3.579 189 H CYS 28 H CYS 28 6.434 2.674 0.911 190 HA CYS 28 HA CYS 28 4.967 5.124 0.674 191 HB2 CYS 28 HB3 CYS 28 6.328 3.784 3.023 192 HB3 CYS 28 HB2 CYS 28 5.403 5.277 3.187 193 H THR 29 H THR 29 8.377 4.405 1.182 194 HA THR 29 HA THR 29 9.245 6.997 1.987 195 HB THR 29 HB THR 29 10.751 5.000 0.269 196 HG1 THR 29 HG1 THR 29 11.371 4.090 2.185 197 HG21 THR 29 HG21 THR 29 12.738 6.045 1.179 198 HG22 THR 29 HG22 THR 29 11.767 7.071 2.236 199 HG23 THR 29 HG23 THR 29 11.718 7.309 0.489 200 H LYS 30 H LYS 30 9.101 5.539 -1.262 201 HA LYS 30 HA LYS 30 9.917 7.912 -2.652 202 HB2 LYS 30 HB3 LYS 30 8.345 5.476 -3.529 203 HB3 LYS 30 HB2 LYS 30 8.882 6.739 -4.640 204 HG2 LYS 30 HG3 LYS 30 11.037 6.033 -4.590 205 HG3 LYS 30 HG2 LYS 30 11.000 5.767 -2.847 206 HD2 LYS 30 HD3 LYS 30 10.149 3.600 -3.060 207 HD3 LYS 30 HD2 LYS 30 9.516 3.900 -4.681 208 HE2 LYS 30 HE3 LYS 30 11.633 2.467 -4.547 209 HE3 LYS 30 HE2 LYS 30 11.692 3.839 -5.652 210 HZ1 LYS 30 HZ1 LYS 30 12.466 4.658 -3.067 211 HZ2 LYS 30 HZ2 LYS 30 13.362 4.696 -4.506 212 HZ3 LYS 30 HZ3 LYS 30 13.390 3.308 -3.526 213 H ASN 31 H ASN 31 6.744 6.592 -1.791 214 HA ASN 31 HA ASN 31 5.154 8.525 -3.158 215 HB2 ASN 31 HB3 ASN 31 4.372 6.362 -2.037 216 HB3 ASN 31 HB2 ASN 31 4.429 7.249 -0.513 217 HD21 ASN 31 HD22 ASN 31 1.928 6.480 -1.020 218 HD22 ASN 31 HD21 ASN 31 0.977 7.718 -1.687 219 H GLY 32 H GLY 32 6.876 8.611 -0.106 220 HA2 GLY 32 HA3 GLY 32 7.593 10.745 0.843 221 HA3 GLY 32 HA2 GLY 32 6.158 11.494 0.138 222 H ALA 33 H ALA 33 5.165 8.583 1.292 223 HA ALA 33 HA ALA 33 3.680 9.727 3.470 224 HB1 ALA 33 HB1 ALA 33 3.476 7.116 4.011 225 HB2 ALA 33 HB2 ALA 33 4.109 6.984 2.371 226 HB3 ALA 33 HB3 ALA 33 2.601 7.850 2.666 227 H LYS 34 H LYS 34 3.974 9.368 5.748 228 HA LYS 34 HA LYS 34 6.634 9.593 6.704 229 HB2 LYS 34 HB3 LYS 34 4.536 10.216 7.960 230 HB3 LYS 34 HB2 LYS 34 4.276 8.497 8.259 231 HG2 LYS 34 HG3 LYS 34 6.818 8.652 9.093 232 HG3 LYS 34 HG2 LYS 34 6.350 10.326 9.385 233 HD2 LYS 34 HD3 LYS 34 4.795 7.925 10.391 234 HD3 LYS 34 HD2 LYS 34 5.961 8.828 11.358 235 HE2 LYS 34 HE3 LYS 34 4.272 10.774 10.228 236 HE3 LYS 34 HE2 LYS 34 3.203 9.480 10.769 237 HZ1 LYS 34 HZ1 LYS 34 4.102 9.595 12.943 238 HZ2 LYS 34 HZ2 LYS 34 3.735 11.186 12.483 239 HZ3 LYS 34 HZ3 LYS 34 5.345 10.645 12.455 240 H SER 35 H SER 35 4.569 6.843 7.628 241 HA SER 35 HA SER 35 6.732 4.979 6.834 242 HB2 SER 35 HB3 SER 35 5.537 5.099 9.618 243 HB3 SER 35 HB2 SER 35 6.661 3.871 9.043 244 HG SER 35 HG SER 35 7.490 6.443 8.583 245 H GLY 36 H GLY 36 5.971 2.727 6.789 246 HA2 GLY 36 HA3 GLY 36 3.027 2.399 6.902 247 HA3 GLY 36 HA2 GLY 36 3.848 2.000 5.393 248 H TYR 37 H TYR 37 2.412 0.060 6.849 249 HA TYR 37 HA TYR 37 4.643 -1.694 7.808 250 HB2 TYR 37 HB3 TYR 37 1.787 -1.690 8.825 251 HB3 TYR 37 HB2 TYR 37 3.123 -2.667 9.435 252 HD1 TYR 37 HD1 TYR 37 1.795 0.778 9.129 253 HD2 TYR 37 HD2 TYR 37 4.798 -1.739 10.893 254 HE1 TYR 37 HE1 TYR 37 2.455 2.626 10.651 255 HE2 TYR 37 HE2 TYR 37 5.458 0.108 12.411 256 HH TYR 37 HH TYR 37 5.320 2.606 12.432 257 H CYS 38 H CYS 38 4.651 -3.770 6.980 258 HA CYS 38 HA CYS 38 2.451 -4.452 5.068 259 HB2 CYS 38 HB3 CYS 38 4.104 -4.645 3.547 260 HB3 CYS 38 HB2 CYS 38 5.347 -4.453 4.781 261 H GLN 39 H GLN 39 1.219 -6.093 5.821 262 HA GLN 39 HA GLN 39 2.560 -8.286 7.329 263 HB2 GLN 39 HB3 GLN 39 0.017 -6.855 8.157 264 HB3 GLN 39 HB2 GLN 39 0.639 -8.322 8.918 265 HG2 GLN 39 HG3 GLN 39 2.747 -7.132 9.458 266 HG3 GLN 39 HG2 GLN 39 2.089 -5.662 8.742 267 HE21 GLN 39 HE22 GLN 39 -0.598 -6.984 10.036 268 HE22 GLN 39 HE21 GLN 39 -0.549 -6.321 11.597 269 H ILE 40 H ILE 40 0.773 -10.145 7.600 270 HA ILE 40 HA ILE 40 -0.245 -10.569 4.857 271 HB ILE 40 HB ILE 40 -0.044 -12.812 5.254 272 HG12 ILE 40 HG13 ILE 40 -0.955 -12.204 8.082 273 HG13 ILE 40 HG12 ILE 40 -1.869 -13.031 6.816 274 HG21 ILE 40 HG21 ILE 40 1.495 -12.053 7.726 275 HG22 ILE 40 HG22 ILE 40 2.054 -11.537 6.135 276 HG23 ILE 40 HG23 ILE 40 1.894 -13.255 6.497 277 HD11 ILE 40 HD11 ILE 40 0.293 -14.065 8.570 278 HD12 ILE 40 HD12 ILE 40 0.322 -14.610 6.894 279 HD13 ILE 40 HD13 ILE 40 -1.105 -14.899 7.890 280 H LEU 41 H LEU 41 -2.422 -10.769 4.379 281 HA LEU 41 HA LEU 41 -4.319 -9.510 6.112 282 HB2 LEU 41 HB3 LEU 41 -4.324 -9.994 3.497 283 HB3 LEU 41 HB2 LEU 41 -5.204 -11.437 4.001 284 HG LEU 41 HG LEU 41 -6.811 -9.698 3.527 285 HD11 LEU 41 HD11 LEU 41 -8.056 -9.758 5.520 286 HD12 LEU 41 HD12 LEU 41 -6.614 -9.685 6.529 287 HD13 LEU 41 HD13 LEU 41 -7.008 -11.167 5.657 288 HD21 LEU 41 HD21 LEU 41 -4.795 -7.990 4.473 289 HD22 LEU 41 HD22 LEU 41 -6.111 -7.828 5.635 290 HD23 LEU 41 HD23 LEU 41 -6.402 -7.515 3.924 291 H GLY 42 H GLY 42 -3.557 -12.908 5.430 292 HA2 GLY 42 HA3 GLY 42 -3.837 -14.717 6.966 293 HA3 GLY 42 HA2 GLY 42 -4.828 -13.668 7.982 294 H THR 43 H THR 43 -5.801 -13.320 4.801 295 HA THR 43 HA THR 43 -7.578 -15.648 4.703 296 HB THR 43 HB THR 43 -8.752 -12.870 5.007 297 HG1 THR 43 HG1 THR 43 -7.831 -14.026 6.910 298 HG21 THR 43 HG21 THR 43 -10.450 -13.867 3.881 299 HG22 THR 43 HG22 THR 43 -10.750 -14.712 5.399 300 HG23 THR 43 HG23 THR 43 -9.790 -15.482 4.136 301 H TYR 44 H TYR 44 -8.166 -12.414 3.379 302 HA TYR 44 HA TYR 44 -8.524 -13.374 0.716 303 HB2 TYR 44 HB3 TYR 44 -7.801 -10.586 1.668 304 HB3 TYR 44 HB2 TYR 44 -8.404 -10.987 0.061 305 HD1 TYR 44 HD2 TYR 44 -10.702 -11.981 -0.195 306 HD2 TYR 44 HD1 TYR 44 -9.278 -10.403 3.537 307 HE1 TYR 44 HE2 TYR 44 -13.033 -11.869 0.648 308 HE2 TYR 44 HE1 TYR 44 -11.607 -10.291 4.380 309 HH TYR 44 HH TYR 44 -14.327 -11.494 2.423 310 H GLY 45 H GLY 45 -5.669 -12.072 2.378 311 HA2 GLY 45 HA3 GLY 45 -3.734 -13.461 0.979 312 HA3 GLY 45 HA2 GLY 45 -4.053 -12.064 -0.047 313 H ASN 46 H ASN 46 -2.691 -10.402 0.326 314 HA ASN 46 HA ASN 46 -1.499 -10.126 3.035 315 HB2 ASN 46 HB3 ASN 46 -0.488 -9.464 0.276 316 HB3 ASN 46 HB2 ASN 46 0.230 -8.742 1.712 317 HD21 ASN 46 HD22 ASN 46 0.896 -10.427 3.467 318 HD22 ASN 46 HD21 ASN 46 1.549 -11.891 2.908 319 H GLY 47 H GLY 47 -1.358 -8.014 3.949 320 HA2 GLY 47 HA3 GLY 47 -3.002 -5.922 2.585 321 HA3 GLY 47 HA2 GLY 47 -3.234 -6.279 4.296 322 H CYS 48 H CYS 48 -1.701 -4.202 2.219 323 HA CYS 48 HA CYS 48 0.475 -3.624 4.186 324 HB2 CYS 48 HB3 CYS 48 1.174 -4.240 1.829 325 HB3 CYS 48 HB2 CYS 48 0.365 -2.772 1.282 326 H TRP 49 H TRP 49 -0.073 -1.879 5.446 327 HA TRP 49 HA TRP 49 -1.788 0.220 4.204 328 HB2 TRP 49 HB3 TRP 49 -1.851 0.811 6.858 329 HB3 TRP 49 HB2 TRP 49 -3.038 -0.203 6.046 330 HD1 TRP 49 HD1 TRP 49 -0.010 -0.373 8.344 331 HE1 TRP 49 HE1 TRP 49 0.098 -2.717 9.408 332 HE3 TRP 49 HE3 TRP 49 -3.700 -2.707 5.700 333 HZ2 TRP 49 HZ2 TRP 49 -1.216 -5.243 9.171 334 HZ3 TRP 49 HZ3 TRP 49 -4.251 -5.082 6.142 335 HH2 TRP 49 HH2 TRP 49 -3.013 -6.353 7.872 336 H CYS 50 H CYS 50 -1.087 2.298 4.108 337 HA CYS 50 HA CYS 50 1.669 2.833 5.140 338 HB2 CYS 50 HB3 CYS 50 1.123 3.002 2.608 339 HB3 CYS 50 HB2 CYS 50 0.249 4.472 3.039 340 H ILE 51 H ILE 51 1.867 4.442 6.684 341 HA ILE 51 HA ILE 51 -0.637 5.866 7.426 342 HB ILE 51 HB ILE 51 1.938 5.662 9.009 343 HG12 ILE 51 HG13 ILE 51 1.163 3.406 8.733 344 HG13 ILE 51 HG12 ILE 51 0.610 3.926 10.325 345 HG21 ILE 51 HG21 ILE 51 -0.899 6.501 9.643 346 HG22 ILE 51 HG22 ILE 51 0.571 7.463 9.793 347 HG23 ILE 51 HG23 ILE 51 0.283 6.115 10.895 348 HD11 ILE 51 HD11 ILE 51 -1.298 2.917 9.368 349 HD12 ILE 51 HD12 ILE 51 -0.994 3.638 7.787 350 HD13 ILE 51 HD13 ILE 51 -1.563 4.643 9.121 351 H ALA 52 H ALA 52 -0.831 7.947 6.855 352 HA ALA 52 HA ALA 52 1.187 9.928 7.178 353 HB1 ALA 52 HB1 ALA 52 0.758 9.603 4.254 354 HB2 ALA 52 HB2 ALA 52 1.837 8.434 5.011 355 HB3 ALA 52 HB3 ALA 52 2.184 10.159 5.126 356 H LEU 53 H LEU 53 0.264 11.375 4.694 357 HA LEU 53 HA LEU 53 -2.539 11.580 4.553 358 HB2 LEU 53 HB3 LEU 53 -1.675 12.509 7.047 359 HB3 LEU 53 HB2 LEU 53 -1.891 13.972 6.091 360 HG LEU 53 HG LEU 53 -4.154 12.937 5.375 361 HD11 LEU 53 HD11 LEU 53 -5.088 11.439 7.186 362 HD12 LEU 53 HD12 LEU 53 -3.447 11.276 7.813 363 HD13 LEU 53 HD13 LEU 53 -3.837 10.685 6.198 364 HD21 LEU 53 HD21 LEU 53 -4.211 14.861 6.753 365 HD22 LEU 53 HD22 LEU 53 -3.489 14.010 8.120 366 HD23 LEU 53 HD23 LEU 53 -5.155 13.671 7.650 367 HA PRO 54 HA PRO 54 -0.307 15.706 3.037 368 HB2 PRO 54 HB2 PRO 54 2.435 14.551 2.839 369 HB3 PRO 54 HB3 PRO 54 1.929 16.188 3.302 370 HG2 PRO 54 HG3 PRO 54 2.793 14.446 5.114 371 HG3 PRO 54 HG2 PRO 54 1.480 15.581 5.473 372 HD2 PRO 54 HD3 PRO 54 1.334 12.649 4.899 373 HD3 PRO 54 HD2 PRO 54 0.341 13.632 5.997 374 H ASP 55 H ASP 55 0.717 12.436 2.159 375 HA ASP 55 HA ASP 55 1.238 12.918 -0.606 376 HB2 ASP 55 HB3 ASP 55 0.210 10.439 0.809 377 HB3 ASP 55 HB2 ASP 55 0.735 10.469 -0.875 378 H ASN 56 H ASN 56 -1.749 12.211 1.164 379 HA ASN 56 HA ASN 56 -3.991 12.354 0.496 380 HB2 ASN 56 HB3 ASN 56 -2.903 14.187 -1.658 381 HB3 ASN 56 HB2 ASN 56 -4.546 14.156 -1.018 382 HD21 ASN 56 HD22 ASN 56 -4.022 13.972 1.759 383 HD22 ASN 56 HD21 ASN 56 -3.223 15.382 2.267 384 H VAL 57 H VAL 57 -2.694 10.104 -0.443 385 HA VAL 57 HA VAL 57 -3.774 9.819 -3.214 386 HB VAL 57 HB VAL 57 -1.413 8.426 -1.923 387 HG11 VAL 57 HG11 VAL 57 -2.431 6.801 -3.318 388 HG12 VAL 57 HG12 VAL 57 -1.178 7.523 -4.328 389 HG13 VAL 57 HG13 VAL 57 -2.863 7.999 -4.537 390 HG21 VAL 57 HG21 VAL 57 -1.540 10.900 -3.146 391 HG22 VAL 57 HG22 VAL 57 -1.090 9.840 -4.481 392 HG23 VAL 57 HG23 VAL 57 -0.090 9.904 -3.030 393 HA PRO 58 HA PRO 58 -6.026 6.794 -0.607 394 HB2 PRO 58 HB2 PRO 58 -8.537 7.594 -1.230 395 HB3 PRO 58 HB3 PRO 58 -7.554 8.432 -0.015 396 HG2 PRO 58 HG3 PRO 58 -8.300 9.275 -2.725 397 HG3 PRO 58 HG2 PRO 58 -7.824 10.248 -1.326 398 HD2 PRO 58 HD3 PRO 58 -6.186 9.454 -3.559 399 HD3 PRO 58 HD2 PRO 58 -5.707 10.418 -2.144 400 H ILE 59 H ILE 59 -8.176 5.473 -1.469 401 HA ILE 59 HA ILE 59 -7.484 4.597 -4.238 402 HB ILE 59 HB ILE 59 -8.821 2.950 -2.076 403 HG12 ILE 59 HG13 ILE 59 -6.574 3.463 -1.315 404 HG13 ILE 59 HG12 ILE 59 -6.572 1.812 -1.936 405 HG21 ILE 59 HG21 ILE 59 -8.854 1.259 -3.605 406 HG22 ILE 59 HG22 ILE 59 -7.316 1.741 -4.319 407 HG23 ILE 59 HG23 ILE 59 -8.798 2.582 -4.770 408 HD11 ILE 59 HD11 ILE 59 -4.670 2.703 -2.958 409 HD12 ILE 59 HD12 ILE 59 -5.403 4.293 -3.163 410 HD13 ILE 59 HD13 ILE 59 -5.894 2.957 -4.201 411 H ARG 60 H ARG 60 -9.103 4.786 -5.732 412 HA ARG 60 HA ARG 60 -11.758 5.640 -4.725 413 HB2 ARG 60 HB3 ARG 60 -10.101 6.497 -6.878 414 HB3 ARG 60 HB2 ARG 60 -11.572 5.817 -7.574 415 HG2 ARG 60 HG3 ARG 60 -11.453 7.942 -5.414 416 HG3 ARG 60 HG2 ARG 60 -11.879 8.210 -7.105 417 HD2 ARG 60 HD3 ARG 60 -13.588 6.179 -6.437 418 HD3 ARG 60 HD2 ARG 60 -13.496 7.069 -4.917 419 HE ARG 60 HE ARG 60 -13.893 8.998 -6.926 420 HH11 ARG 60 HH22 ARG 60 -15.443 6.203 -5.634 421 HH12 ARG 60 HH21 ARG 60 -17.044 6.764 -5.986 422 HH21 ARG 60 HH11 ARG 60 -15.976 9.747 -7.395 423 HH22 ARG 60 HH12 ARG 60 -17.345 8.770 -6.982 424 H ILE 61 H ILE 61 -10.430 2.776 -5.415 425 HA ILE 61 HA ILE 61 -13.019 1.738 -6.439 426 HB ILE 61 HB ILE 61 -11.617 0.159 -7.911 427 HG12 ILE 61 HG13 ILE 61 -9.505 1.244 -6.626 428 HG13 ILE 61 HG12 ILE 61 -9.386 0.576 -8.253 429 HG21 ILE 61 HG21 ILE 61 -11.940 3.113 -8.440 430 HG22 ILE 61 HG22 ILE 61 -12.975 1.791 -8.980 431 HG23 ILE 61 HG23 ILE 61 -11.369 1.994 -9.679 432 HD11 ILE 61 HD11 ILE 61 -10.087 3.475 -7.757 433 HD12 ILE 61 HD12 ILE 61 -9.545 2.729 -9.260 434 HD13 ILE 61 HD13 ILE 61 -8.421 2.926 -7.917 435 HA PRO 62 HA PRO 62 -12.563 -1.322 -3.295 436 HB2 PRO 62 HB2 PRO 62 -13.443 -3.577 -4.697 437 HB3 PRO 62 HB3 PRO 62 -14.479 -2.421 -3.845 438 HG2 PRO 62 HG3 PRO 62 -13.863 -2.639 -6.734 439 HG3 PRO 62 HG2 PRO 62 -15.353 -2.122 -5.927 440 HD2 PRO 62 HD3 PRO 62 -13.659 -0.353 -7.092 441 HD3 PRO 62 HD2 PRO 62 -14.611 0.059 -5.649 442 H GLY 63 H GLY 63 -11.322 -3.260 -2.715 443 HA2 GLY 63 HA3 GLY 63 -8.747 -3.366 -3.974 444 HA3 GLY 63 HA2 GLY 63 -9.329 -4.498 -2.752 445 H LYS 64 H LYS 64 -11.081 -4.009 -5.759 446 HA LYS 64 HA LYS 64 -11.210 -6.765 -6.381 447 HB2 LYS 64 HB3 LYS 64 -12.687 -5.014 -7.373 448 HB3 LYS 64 HB2 LYS 64 -11.322 -4.448 -8.336 449 HG2 LYS 64 HG3 LYS 64 -11.128 -6.717 -9.343 450 HG3 LYS 64 HG2 LYS 64 -12.555 -7.216 -8.435 451 HD2 LYS 64 HD3 LYS 64 -13.850 -5.391 -9.546 452 HD3 LYS 64 HD2 LYS 64 -12.430 -5.024 -10.526 453 HE2 LYS 64 HE3 LYS 64 -12.615 -7.705 -10.928 454 HE3 LYS 64 HE2 LYS 64 -14.317 -7.300 -10.714 455 HZ1 LYS 64 HZ1 LYS 64 -14.353 -6.044 -12.580 456 HZ2 LYS 64 HZ2 LYS 64 -13.104 -7.096 -13.037 457 HZ3 LYS 64 HZ3 LYS 64 -12.734 -5.552 -12.431 458 H CYS 65 H CYS 65 -8.844 -4.306 -7.280 459 HA CYS 65 HA CYS 65 -6.734 -4.504 -8.283 460 HB2 CYS 65 HB3 CYS 65 -6.949 -7.426 -7.504 461 HB3 CYS 65 HB2 CYS 65 -5.474 -6.499 -7.778 462 H HIS 66 H HIS 66 -7.991 -7.769 -8.995 463 HA HIS 66 HA HIS 66 -8.303 -7.000 -11.843 464 HB2 HIS 66 HB3 HIS 66 -5.954 -7.805 -11.564 465 HB3 HIS 66 HB2 HIS 66 -6.583 -9.338 -10.957 466 HD1 HIS 66 HD1 HIS 66 -7.079 -7.137 -14.049 467 HD2 HIS 66 HD2 HIS 66 -6.959 -11.169 -12.983 468 HE1 HIS 66 HE1 HIS 66 -7.350 -8.456 -16.197 469 HE2 HIS 66 HE2 HIS 66 -7.278 -10.910 -15.558 Start of MODEL 13 1 H1 ALA 1 H1 ALA 1 -8.134 8.761 8.374 2 H2 ALA 1 H2 ALA 1 -7.233 7.400 7.901 3 H3 ALA 1 H3 ALA 1 -8.383 8.070 6.845 4 HA ALA 1 HA ALA 1 -6.981 9.597 6.070 5 HB1 ALA 1 HB1 ALA 1 -6.398 11.255 7.482 6 HB2 ALA 1 HB2 ALA 1 -5.316 10.181 8.369 7 HB3 ALA 1 HB3 ALA 1 -7.023 10.269 8.803 8 H ARG 2 H ARG 2 -6.300 6.646 7.036 9 HA ARG 2 HA ARG 2 -3.482 6.804 6.072 10 HB2 ARG 2 HB3 ARG 2 -2.760 5.193 7.742 11 HB3 ARG 2 HB2 ARG 2 -3.530 6.546 8.572 12 HG2 ARG 2 HG3 ARG 2 -5.681 5.210 8.550 13 HG3 ARG 2 HG2 ARG 2 -4.741 3.837 7.965 14 HD2 ARG 2 HD3 ARG 2 -3.263 4.052 9.969 15 HD3 ARG 2 HD2 ARG 2 -4.325 5.325 10.573 16 HE ARG 2 HE ARG 2 -6.075 3.256 10.153 17 HH11 ARG 2 HH22 ARG 2 -3.010 3.560 11.701 18 HH12 ARG 2 HH21 ARG 2 -3.326 2.319 12.867 19 HH21 ARG 2 HH11 ARG 2 -6.506 1.633 11.666 20 HH22 ARG 2 HH12 ARG 2 -5.306 1.228 12.846 21 H ASP 3 H ASP 3 -2.747 4.672 5.182 22 HA ASP 3 HA ASP 3 -5.028 3.305 3.875 23 HB2 ASP 3 HB3 ASP 3 -2.050 3.142 3.346 24 HB3 ASP 3 HB2 ASP 3 -3.296 2.331 2.405 25 H ALA 4 H ALA 4 -5.354 1.054 4.075 26 HA ALA 4 HA ALA 4 -3.994 -0.158 6.420 27 HB1 ALA 4 HB1 ALA 4 -6.304 -0.255 6.782 28 HB2 ALA 4 HB2 ALA 4 -5.950 -1.854 6.124 29 HB3 ALA 4 HB3 ALA 4 -6.649 -0.608 5.089 30 H TYR 5 H TYR 5 -5.562 -1.836 3.716 31 HA TYR 5 HA TYR 5 -3.118 -3.519 3.484 32 HB2 TYR 5 HB3 TYR 5 -5.757 -4.007 2.103 33 HB3 TYR 5 HB2 TYR 5 -4.516 -5.181 2.542 34 HD1 TYR 5 HD2 TYR 5 -4.217 -5.884 4.892 35 HD2 TYR 5 HD1 TYR 5 -7.345 -3.183 3.723 36 HE1 TYR 5 HE2 TYR 5 -5.354 -6.263 7.064 37 HE2 TYR 5 HE1 TYR 5 -8.484 -3.562 5.895 38 HH TYR 5 HH TYR 5 -8.480 -5.546 7.650 39 H ILE 6 H ILE 6 -4.759 -1.001 1.838 40 HA ILE 6 HA ILE 6 -3.605 -1.744 -0.783 41 HB ILE 6 HB ILE 6 -5.357 0.608 -0.016 42 HG12 ILE 6 HG13 ILE 6 -6.092 -2.014 -1.357 43 HG13 ILE 6 HG12 ILE 6 -6.419 -1.633 0.334 44 HG21 ILE 6 HG21 ILE 6 -3.934 -0.158 -2.433 45 HG22 ILE 6 HG22 ILE 6 -4.810 1.332 -2.079 46 HG23 ILE 6 HG23 ILE 6 -5.673 -0.070 -2.711 47 HD11 ILE 6 HD11 ILE 6 -8.060 -1.032 -1.856 48 HD12 ILE 6 HD12 ILE 6 -7.320 0.506 -1.413 49 HD13 ILE 6 HD13 ILE 6 -8.232 -0.411 -0.214 50 H ALA 7 H ALA 7 -2.005 -0.505 -1.803 51 HA ALA 7 HA ALA 7 -0.902 1.795 -0.266 52 HB1 ALA 7 HB1 ALA 7 1.231 0.380 -1.560 53 HB2 ALA 7 HB2 ALA 7 0.326 -0.752 -0.556 54 HB3 ALA 7 HB3 ALA 7 1.016 0.703 0.160 55 H LYS 8 H LYS 8 -2.510 1.331 -2.840 56 HA LYS 8 HA LYS 8 -0.634 2.720 -4.701 57 HB2 LYS 8 HB3 LYS 8 -2.920 0.817 -5.176 58 HB3 LYS 8 HB2 LYS 8 -2.373 1.901 -6.452 59 HG2 LYS 8 HG3 LYS 8 -0.166 0.521 -5.102 60 HG3 LYS 8 HG2 LYS 8 -1.293 -0.586 -5.886 61 HD2 LYS 8 HD3 LYS 8 -1.102 0.745 -7.979 62 HD3 LYS 8 HD2 LYS 8 0.093 1.774 -7.191 63 HE2 LYS 8 HE3 LYS 8 0.418 -1.224 -7.380 64 HE3 LYS 8 HE2 LYS 8 1.020 -0.129 -8.625 65 HZ1 LYS 8 HZ1 LYS 8 2.095 -0.701 -6.046 66 HZ2 LYS 8 HZ2 LYS 8 1.867 0.965 -6.267 67 HZ3 LYS 8 HZ3 LYS 8 2.817 0.087 -7.366 68 HA PRO 9 HA PRO 9 -3.152 6.333 -4.465 69 HB2 PRO 9 HB2 PRO 9 -3.148 7.128 -7.128 70 HB3 PRO 9 HB3 PRO 9 -1.855 7.462 -5.963 71 HG2 PRO 9 HG3 PRO 9 -2.015 5.375 -8.066 72 HG3 PRO 9 HG2 PRO 9 -0.618 6.297 -7.487 73 HD2 PRO 9 HD3 PRO 9 -1.044 3.711 -6.768 74 HD3 PRO 9 HD2 PRO 9 -0.253 4.879 -5.687 75 H HIS 10 H HIS 10 -4.009 4.003 -7.005 76 HA HIS 10 HA HIS 10 -6.856 4.493 -6.392 77 HB2 HIS 10 HB3 HIS 10 -5.731 4.736 -9.197 78 HB3 HIS 10 HB2 HIS 10 -7.443 4.767 -8.777 79 HD1 HIS 10 HD1 HIS 10 -4.321 6.831 -8.648 80 HD2 HIS 10 HD2 HIS 10 -8.305 7.163 -7.457 81 HE1 HIS 10 HE1 HIS 10 -4.687 9.263 -8.035 82 HE2 HIS 10 HE2 HIS 10 -7.108 9.475 -7.310 83 H ASN 11 H ASN 11 -4.539 2.332 -6.546 84 HA ASN 11 HA ASN 11 -6.336 0.208 -7.642 85 HB2 ASN 11 HB3 ASN 11 -3.319 0.262 -7.911 86 HB3 ASN 11 HB2 ASN 11 -4.420 -0.932 -8.597 87 HD21 ASN 11 HD22 ASN 11 -2.840 2.041 -9.230 88 HD22 ASN 11 HD21 ASN 11 -3.715 2.476 -10.619 89 H CYS 12 H CYS 12 -4.746 -1.970 -6.960 90 HA CYS 12 HA CYS 12 -4.552 -1.725 -3.982 91 HB2 CYS 12 HB3 CYS 12 -5.428 -4.122 -5.619 92 HB3 CYS 12 HB2 CYS 12 -5.304 -4.067 -3.861 93 H VAL 13 H VAL 13 -3.263 -3.900 -3.231 94 HA VAL 13 HA VAL 13 -0.687 -3.740 -4.714 95 HB VAL 13 HB VAL 13 -1.279 -4.938 -1.988 96 HG11 VAL 13 HG11 VAL 13 1.313 -4.238 -3.402 97 HG12 VAL 13 HG12 VAL 13 0.727 -5.864 -3.054 98 HG13 VAL 13 HG13 VAL 13 1.190 -4.793 -1.733 99 HG21 VAL 13 HG21 VAL 13 -1.170 -2.221 -2.802 100 HG22 VAL 13 HG22 VAL 13 0.344 -2.557 -1.961 101 HG23 VAL 13 HG23 VAL 13 -1.198 -2.847 -1.153 102 H TYR 14 H TYR 14 0.056 -5.477 -5.854 103 HA TYR 14 HA TYR 14 -1.651 -7.735 -6.343 104 HB2 TYR 14 HB3 TYR 14 0.097 -8.547 -7.761 105 HB3 TYR 14 HB2 TYR 14 0.125 -6.790 -7.907 106 HD1 TYR 14 HD2 TYR 14 1.845 -5.455 -6.694 107 HD2 TYR 14 HD1 TYR 14 1.920 -9.749 -6.754 108 HE1 TYR 14 HE2 TYR 14 4.205 -5.424 -5.931 109 HE2 TYR 14 HE1 TYR 14 4.280 -9.718 -5.992 110 HH TYR 14 HH TYR 14 6.130 -8.357 -5.800 111 H GLU 15 H GLU 15 1.169 -7.242 -4.256 112 HA GLU 15 HA GLU 15 0.372 -9.327 -2.453 113 HB2 GLU 15 HB3 GLU 15 1.210 -10.698 -4.422 114 HB3 GLU 15 HB2 GLU 15 2.805 -10.003 -4.125 115 HG2 GLU 15 HG3 GLU 15 2.720 -10.867 -1.794 116 HG3 GLU 15 HG2 GLU 15 1.174 -11.636 -2.159 117 H CYS 16 H CYS 16 0.900 -7.871 -0.805 118 HA CYS 16 HA CYS 16 3.441 -6.446 -0.808 119 HB2 CYS 16 HB3 CYS 16 2.364 -5.213 0.741 120 HB3 CYS 16 HB2 CYS 16 1.006 -6.337 0.677 121 H PHE 17 H PHE 17 5.353 -7.284 -0.146 122 HA PHE 17 HA PHE 17 5.360 -9.953 1.116 123 HB2 PHE 17 HB3 PHE 17 6.931 -9.845 -0.625 124 HB3 PHE 17 HB2 PHE 17 7.451 -8.220 -0.180 125 HD1 PHE 17 HD1 PHE 17 7.510 -11.789 0.870 126 HD2 PHE 17 HD2 PHE 17 9.164 -7.866 1.441 127 HE1 PHE 17 HE1 PHE 17 9.292 -12.748 2.306 128 HE2 PHE 17 HE2 PHE 17 10.944 -8.824 2.876 129 HZ PHE 17 HZ PHE 17 11.006 -11.264 3.310 130 H ASP 18 H ASP 18 6.122 -10.355 3.181 131 HA ASP 18 HA ASP 18 6.139 -8.099 5.024 132 HB2 ASP 18 HB3 ASP 18 5.171 -10.333 5.599 133 HB3 ASP 18 HB2 ASP 18 6.801 -11.005 5.567 134 H ALA 19 H ALA 19 7.904 -6.913 5.468 135 HA ALA 19 HA ALA 19 10.558 -8.251 5.545 136 HB1 ALA 19 HB1 ALA 19 9.888 -6.824 3.342 137 HB2 ALA 19 HB2 ALA 19 11.534 -6.902 3.967 138 HB3 ALA 19 HB3 ALA 19 10.505 -5.525 4.362 139 H PHE 20 H PHE 20 12.137 -6.962 6.810 140 HA PHE 20 HA PHE 20 11.095 -5.975 9.234 141 HB2 PHE 20 HB3 PHE 20 13.482 -6.641 8.837 142 HB3 PHE 20 HB2 PHE 20 13.713 -5.132 7.952 143 HD1 PHE 20 HD1 PHE 20 12.789 -6.552 11.269 144 HD2 PHE 20 HD2 PHE 20 14.047 -3.069 9.093 145 HE1 PHE 20 HE1 PHE 20 13.183 -5.359 13.407 146 HE2 PHE 20 HE2 PHE 20 14.437 -1.875 11.231 147 HZ PHE 20 HZ PHE 20 14.006 -3.021 13.388 148 H SER 21 H SER 21 12.055 -4.175 6.311 149 HA SER 21 HA SER 21 10.083 -2.206 6.456 150 HB2 SER 21 HB3 SER 21 12.305 -1.789 8.354 151 HB3 SER 21 HB2 SER 21 11.906 -0.389 7.363 152 HG SER 21 HG SER 21 10.664 -0.521 9.307 153 H SER 22 H SER 22 10.625 -2.818 4.170 154 HA SER 22 HA SER 22 12.449 -0.823 3.026 155 HB2 SER 22 HB3 SER 22 14.121 -2.447 3.249 156 HB3 SER 22 HB2 SER 22 13.002 -3.777 2.962 157 HG SER 22 HG SER 22 13.914 -1.849 1.083 158 H TYR 23 H TYR 23 10.986 -3.898 1.890 159 HA TYR 23 HA TYR 23 10.199 -2.851 -0.631 160 HB2 TYR 23 HB3 TYR 23 10.312 -5.271 -0.116 161 HB3 TYR 23 HB2 TYR 23 8.907 -5.099 0.936 162 HD1 TYR 23 HD1 TYR 23 10.101 -5.020 -2.556 163 HD2 TYR 23 HD2 TYR 23 6.685 -4.733 0.033 164 HE1 TYR 23 HE1 TYR 23 8.599 -5.256 -4.514 165 HE2 TYR 23 HE2 TYR 23 5.181 -4.972 -1.927 166 HH TYR 23 HH TYR 23 6.349 -4.783 -5.171 167 H CYS 24 H CYS 24 8.107 -3.479 2.212 168 HA CYS 24 HA CYS 24 5.871 -2.062 1.067 169 HB2 CYS 24 HB3 CYS 24 5.859 -3.795 2.990 170 HB3 CYS 24 HB2 CYS 24 6.297 -2.440 4.029 171 H ASN 25 H ASN 25 8.281 -1.179 3.537 172 HA ASN 25 HA ASN 25 7.350 1.467 3.990 173 HB2 ASN 25 HB3 ASN 25 10.198 0.419 4.076 174 HB3 ASN 25 HB2 ASN 25 9.638 1.923 4.809 175 HD21 ASN 25 HD22 ASN 25 7.217 -0.475 4.972 176 HD22 ASN 25 HD21 ASN 25 7.494 -0.984 6.568 177 H GLY 26 H GLY 26 9.497 0.120 1.526 178 HA2 GLY 26 HA3 GLY 26 10.386 2.576 0.388 179 HA3 GLY 26 HA2 GLY 26 10.275 1.045 -0.486 180 H VAL 27 H VAL 27 7.487 0.602 -0.246 181 HA VAL 27 HA VAL 27 6.497 2.163 -2.425 182 HB VAL 27 HB VAL 27 5.039 0.512 -0.343 183 HG11 VAL 27 HG11 VAL 27 3.397 0.583 -2.514 184 HG12 VAL 27 HG12 VAL 27 4.075 2.211 -2.569 185 HG13 VAL 27 HG13 VAL 27 3.226 1.658 -1.126 186 HG21 VAL 27 HG21 VAL 27 6.735 -0.486 -2.071 187 HG22 VAL 27 HG22 VAL 27 5.459 -0.170 -3.246 188 HG23 VAL 27 HG23 VAL 27 5.156 -1.252 -1.887 189 H CYS 28 H CYS 28 5.930 2.394 1.080 190 HA CYS 28 HA CYS 28 4.164 4.663 0.898 191 HB2 CYS 28 HB3 CYS 28 5.789 3.435 3.118 192 HB3 CYS 28 HB2 CYS 28 4.932 4.955 3.369 193 H THR 29 H THR 29 7.657 4.298 1.063 194 HA THR 29 HA THR 29 8.389 6.938 1.767 195 HB THR 29 HB THR 29 9.786 5.153 -0.248 196 HG1 THR 29 HG1 THR 29 10.352 5.309 2.504 197 HG21 THR 29 HG21 THR 29 11.312 6.800 -0.302 198 HG22 THR 29 HG22 THR 29 11.563 6.597 1.432 199 HG23 THR 29 HG23 THR 29 10.361 7.746 0.843 200 H LYS 30 H LYS 30 7.799 5.557 -1.464 201 HA LYS 30 HA LYS 30 8.210 8.008 -2.892 202 HB2 LYS 30 HB3 LYS 30 6.638 5.506 -3.559 203 HB3 LYS 30 HB2 LYS 30 6.899 6.825 -4.703 204 HG2 LYS 30 HG3 LYS 30 9.045 6.215 -5.085 205 HG3 LYS 30 HG2 LYS 30 9.363 5.965 -3.369 206 HD2 LYS 30 HD3 LYS 30 8.573 3.754 -3.413 207 HD3 LYS 30 HD2 LYS 30 7.685 4.001 -4.918 208 HE2 LYS 30 HE3 LYS 30 9.633 3.927 -6.228 209 HE3 LYS 30 HE2 LYS 30 10.680 4.293 -4.857 210 HZ1 LYS 30 HZ1 LYS 30 9.704 1.763 -5.780 211 HZ2 LYS 30 HZ2 LYS 30 9.427 1.996 -4.122 212 HZ3 LYS 30 HZ3 LYS 30 11.005 2.110 -4.743 213 H ASN 31 H ASN 31 5.325 6.486 -1.509 214 HA ASN 31 HA ASN 31 3.402 8.331 -2.519 215 HB2 ASN 31 HB3 ASN 31 3.418 6.756 0.075 216 HB3 ASN 31 HB2 ASN 31 2.010 7.589 -0.583 217 HD21 ASN 31 HD22 ASN 31 2.044 4.733 -0.213 218 HD22 ASN 31 HD21 ASN 31 1.989 4.003 -1.744 219 H GLY 32 H GLY 32 5.654 8.513 0.162 220 HA2 GLY 32 HA3 GLY 32 6.407 10.658 1.025 221 HA3 GLY 32 HA2 GLY 32 4.856 11.355 0.551 222 H ALA 33 H ALA 33 4.144 8.418 1.825 223 HA ALA 33 HA ALA 33 2.949 9.490 4.200 224 HB1 ALA 33 HB1 ALA 33 3.479 6.709 3.181 225 HB2 ALA 33 HB2 ALA 33 1.933 7.525 3.409 226 HB3 ALA 33 HB3 ALA 33 2.842 6.953 4.807 227 H LYS 34 H LYS 34 3.599 9.212 6.404 228 HA LYS 34 HA LYS 34 6.351 9.584 6.955 229 HB2 LYS 34 HB3 LYS 34 4.447 10.135 8.504 230 HB3 LYS 34 HB2 LYS 34 4.294 8.412 8.847 231 HG2 LYS 34 HG3 LYS 34 6.972 8.771 9.244 232 HG3 LYS 34 HG2 LYS 34 6.349 10.340 9.751 233 HD2 LYS 34 HD3 LYS 34 5.295 7.677 10.748 234 HD3 LYS 34 HD2 LYS 34 6.448 8.686 11.622 235 HE2 LYS 34 HE3 LYS 34 4.236 10.321 10.799 236 HE3 LYS 34 HE2 LYS 34 3.612 8.894 11.625 237 HZ1 LYS 34 HZ1 LYS 34 4.739 11.136 12.780 238 HZ2 LYS 34 HZ2 LYS 34 5.889 9.903 12.971 239 HZ3 LYS 34 HZ3 LYS 34 4.309 9.685 13.555 240 H SER 35 H SER 35 4.417 6.646 7.704 241 HA SER 35 HA SER 35 6.786 5.016 6.986 242 HB2 SER 35 HB3 SER 35 6.778 3.809 9.081 243 HB3 SER 35 HB2 SER 35 6.891 5.529 9.448 244 HG SER 35 HG SER 35 5.299 4.367 10.695 245 H GLY 36 H GLY 36 6.229 2.692 6.818 246 HA2 GLY 36 HA3 GLY 36 3.333 2.110 6.631 247 HA3 GLY 36 HA2 GLY 36 4.300 1.893 5.172 248 H TYR 37 H TYR 37 2.890 -0.206 6.629 249 HA TYR 37 HA TYR 37 5.238 -1.958 7.182 250 HB2 TYR 37 HB3 TYR 37 2.739 -1.992 8.893 251 HB3 TYR 37 HB2 TYR 37 4.240 -2.874 9.167 252 HD1 TYR 37 HD1 TYR 37 6.387 -1.075 8.945 253 HD2 TYR 37 HD2 TYR 37 2.425 -0.270 10.401 254 HE1 TYR 37 HE1 TYR 37 7.262 0.833 10.265 255 HE2 TYR 37 HE2 TYR 37 3.304 1.640 11.724 256 HH TYR 37 HH TYR 37 5.112 3.053 11.932 257 H CYS 38 H CYS 38 4.725 -4.256 6.849 258 HA CYS 38 HA CYS 38 2.448 -4.597 4.981 259 HB2 CYS 38 HB3 CYS 38 5.120 -5.731 5.176 260 HB3 CYS 38 HB2 CYS 38 3.884 -6.979 5.032 261 H GLN 39 H GLN 39 0.664 -5.584 5.683 262 HA GLN 39 HA GLN 39 0.848 -7.269 8.145 263 HB2 GLN 39 HB3 GLN 39 -1.460 -5.583 7.125 264 HB3 GLN 39 HB2 GLN 39 -1.507 -6.602 8.566 265 HG2 GLN 39 HG3 GLN 39 0.396 -5.309 9.514 266 HG3 GLN 39 HG2 GLN 39 0.360 -4.256 8.100 267 HE21 GLN 39 HE22 GLN 39 -2.814 -4.991 8.519 268 HE22 GLN 39 HE21 GLN 39 -3.277 -3.729 9.555 269 H ILE 40 H ILE 40 -1.285 -8.777 8.146 270 HA ILE 40 HA ILE 40 -1.061 -10.296 5.618 271 HB ILE 40 HB ILE 40 -2.101 -12.125 6.843 272 HG12 ILE 40 HG13 ILE 40 -2.424 -10.118 9.101 273 HG13 ILE 40 HG12 ILE 40 -3.740 -10.769 8.124 274 HG21 ILE 40 HG21 ILE 40 0.361 -11.411 7.225 275 HG22 ILE 40 HG22 ILE 40 -0.355 -12.542 8.373 276 HG23 ILE 40 HG23 ILE 40 -0.199 -10.836 8.795 277 HD11 ILE 40 HD11 ILE 40 -3.569 -12.007 10.234 278 HD12 ILE 40 HD12 ILE 40 -1.880 -12.382 9.893 279 HD13 ILE 40 HD13 ILE 40 -3.155 -13.055 8.877 280 H LEU 41 H LEU 41 -2.803 -10.734 4.279 281 HA LEU 41 HA LEU 41 -5.117 -8.928 4.576 282 HB2 LEU 41 HB3 LEU 41 -3.901 -9.148 2.388 283 HB3 LEU 41 HB2 LEU 41 -4.446 -10.823 2.309 284 HG LEU 41 HG LEU 41 -6.812 -9.995 2.500 285 HD11 LEU 41 HD11 LEU 41 -6.615 -7.379 1.597 286 HD12 LEU 41 HD12 LEU 41 -5.361 -7.470 2.832 287 HD13 LEU 41 HD13 LEU 41 -7.029 -7.867 3.240 288 HD21 LEU 41 HD21 LEU 41 -5.459 -8.678 0.149 289 HD22 LEU 41 HD22 LEU 41 -6.995 -9.545 0.194 290 HD23 LEU 41 HD23 LEU 41 -5.477 -10.434 0.309 291 H GLY 42 H GLY 42 -7.249 -9.688 4.845 292 HA2 GLY 42 HA3 GLY 42 -7.782 -11.947 6.350 293 HA3 GLY 42 HA2 GLY 42 -8.967 -11.271 5.228 294 H THR 43 H THR 43 -7.270 -11.758 2.879 295 HA THR 43 HA THR 43 -7.956 -14.596 2.497 296 HB THR 43 HB THR 43 -7.574 -14.202 0.165 297 HG1 THR 43 HG1 THR 43 -5.604 -12.858 0.848 298 HG21 THR 43 HG21 THR 43 -9.285 -12.572 1.695 299 HG22 THR 43 HG22 THR 43 -9.417 -12.929 -0.027 300 HG23 THR 43 HG23 THR 43 -8.538 -11.498 0.513 301 H TYR 44 H TYR 44 -6.239 -15.985 1.359 302 HA TYR 44 HA TYR 44 -3.958 -16.282 2.988 303 HB2 TYR 44 HB3 TYR 44 -3.183 -17.876 1.404 304 HB3 TYR 44 HB2 TYR 44 -4.942 -17.936 1.279 305 HD1 TYR 44 HD2 TYR 44 -6.110 -16.810 -0.607 306 HD2 TYR 44 HD1 TYR 44 -1.826 -17.036 -0.399 307 HE1 TYR 44 HE2 TYR 44 -5.962 -16.214 -3.009 308 HE2 TYR 44 HE1 TYR 44 -1.678 -16.441 -2.801 309 HH TYR 44 HH TYR 44 -3.496 -15.027 -4.460 310 H GLY 45 H GLY 45 -4.593 -13.859 0.717 311 HA2 GLY 45 HA3 GLY 45 -1.810 -13.407 -0.085 312 HA3 GLY 45 HA2 GLY 45 -3.181 -12.369 -0.473 313 H ASN 46 H ASN 46 -1.334 -10.782 0.175 314 HA ASN 46 HA ASN 46 -1.737 -10.077 3.030 315 HB2 ASN 46 HB3 ASN 46 0.801 -10.679 1.625 316 HB3 ASN 46 HB2 ASN 46 0.811 -9.221 2.615 317 HD21 ASN 46 HD22 ASN 46 2.221 -10.266 4.223 318 HD22 ASN 46 HD21 ASN 46 1.610 -11.446 5.278 319 H GLY 47 H GLY 47 -0.940 -7.700 3.357 320 HA2 GLY 47 HA3 GLY 47 -1.267 -6.110 0.862 321 HA3 GLY 47 HA2 GLY 47 -2.336 -5.776 2.224 322 H CYS 48 H CYS 48 -0.713 -3.758 1.292 323 HA CYS 48 HA CYS 48 1.576 -3.637 3.173 324 HB2 CYS 48 HB3 CYS 48 1.096 -2.611 0.518 325 HB3 CYS 48 HB2 CYS 48 1.508 -1.292 1.614 326 H TRP 49 H TRP 49 1.768 -1.820 4.608 327 HA TRP 49 HA TRP 49 -0.828 -0.444 5.140 328 HB2 TRP 49 HB3 TRP 49 0.274 -2.126 6.853 329 HB3 TRP 49 HB2 TRP 49 1.301 -0.743 7.230 330 HD1 TRP 49 HD1 TRP 49 0.198 1.329 8.415 331 HE1 TRP 49 HE1 TRP 49 -2.076 1.671 9.583 332 HE3 TRP 49 HE3 TRP 49 -2.261 -2.834 6.784 333 HZ2 TRP 49 HZ2 TRP 49 -4.605 0.347 9.796 334 HZ3 TRP 49 HZ3 TRP 49 -4.597 -3.273 7.480 335 HH2 TRP 49 HH2 TRP 49 -5.772 -1.688 8.984 336 H CYS 50 H CYS 50 -0.796 1.786 5.263 337 HA CYS 50 HA CYS 50 1.885 3.116 5.177 338 HB2 CYS 50 HB3 CYS 50 0.202 2.969 3.005 339 HB3 CYS 50 HB2 CYS 50 -0.282 4.498 3.737 340 H ILE 51 H ILE 51 2.059 4.805 6.603 341 HA ILE 51 HA ILE 51 -0.449 5.696 7.960 342 HB ILE 51 HB ILE 51 2.376 5.595 9.055 343 HG12 ILE 51 HG13 ILE 51 0.389 4.040 10.464 344 HG13 ILE 51 HG12 ILE 51 0.418 3.572 8.765 345 HG21 ILE 51 HG21 ILE 51 1.435 7.310 10.284 346 HG22 ILE 51 HG22 ILE 51 0.836 5.936 11.211 347 HG23 ILE 51 HG23 ILE 51 -0.210 6.729 10.033 348 HD11 ILE 51 HD11 ILE 51 2.760 3.630 10.683 349 HD12 ILE 51 HD12 ILE 51 2.928 3.387 8.945 350 HD13 ILE 51 HD13 ILE 51 2.043 2.214 9.917 351 H ALA 52 H ALA 52 -0.988 7.739 7.508 352 HA ALA 52 HA ALA 52 0.902 9.920 7.561 353 HB1 ALA 52 HB1 ALA 52 1.189 10.413 5.322 354 HB2 ALA 52 HB2 ALA 52 -0.332 9.653 4.852 355 HB3 ALA 52 HB3 ALA 52 1.079 8.656 5.205 356 H LEU 53 H LEU 53 -0.241 12.000 7.237 357 HA LEU 53 HA LEU 53 -3.217 11.725 7.247 358 HB2 LEU 53 HB3 LEU 53 -2.401 11.983 9.573 359 HB3 LEU 53 HB2 LEU 53 -1.591 13.481 9.109 360 HG LEU 53 HG LEU 53 -4.266 13.683 8.187 361 HD11 LEU 53 HD11 LEU 53 -5.561 13.357 10.219 362 HD12 LEU 53 HD12 LEU 53 -4.113 12.886 11.108 363 HD13 LEU 53 HD13 LEU 53 -4.739 11.847 9.828 364 HD21 LEU 53 HD21 LEU 53 -2.986 14.934 10.637 365 HD22 LEU 53 HD22 LEU 53 -4.317 15.594 9.687 366 HD23 LEU 53 HD23 LEU 53 -2.702 15.486 8.986 367 HA PRO 54 HA PRO 54 -1.697 14.879 4.152 368 HB2 PRO 54 HB2 PRO 54 -3.978 13.790 2.624 369 HB3 PRO 54 HB3 PRO 54 -2.290 14.005 2.123 370 HG2 PRO 54 HG3 PRO 54 -3.352 11.588 2.604 371 HG3 PRO 54 HG2 PRO 54 -1.651 11.964 2.924 372 HD2 PRO 54 HD3 PRO 54 -3.917 11.696 4.863 373 HD3 PRO 54 HD2 PRO 54 -2.206 11.259 5.056 374 H ASP 55 H ASP 55 -5.158 14.036 4.197 375 HA ASP 55 HA ASP 55 -5.845 16.603 5.453 376 HB2 ASP 55 HB3 ASP 55 -5.581 17.129 3.008 377 HB3 ASP 55 HB2 ASP 55 -6.858 15.961 2.667 378 H ASN 56 H ASN 56 -7.601 14.323 3.328 379 HA ASN 56 HA ASN 56 -8.868 12.915 5.490 380 HB2 ASN 56 HB3 ASN 56 -10.987 13.928 5.605 381 HB3 ASN 56 HB2 ASN 56 -9.890 15.309 5.544 382 HD21 ASN 56 HD22 ASN 56 -9.849 16.598 3.593 383 HD22 ASN 56 HD21 ASN 56 -10.995 16.399 2.357 384 H VAL 57 H VAL 57 -7.657 12.516 2.801 385 HA VAL 57 HA VAL 57 -9.945 11.070 1.539 386 HB VAL 57 HB VAL 57 -7.630 12.409 0.113 387 HG11 VAL 57 HG11 VAL 57 -9.841 10.582 -0.710 388 HG12 VAL 57 HG12 VAL 57 -8.206 10.729 -1.355 389 HG13 VAL 57 HG13 VAL 57 -9.440 11.907 -1.803 390 HG21 VAL 57 HG21 VAL 57 -10.559 13.160 0.008 391 HG22 VAL 57 HG22 VAL 57 -9.177 14.090 -0.573 392 HG23 VAL 57 HG23 VAL 57 -9.446 13.898 1.160 393 HA PRO 58 HA PRO 58 -6.495 8.115 2.430 394 HB2 PRO 58 HB2 PRO 58 -7.948 6.290 3.816 395 HB3 PRO 58 HB3 PRO 58 -7.268 7.742 4.578 396 HG2 PRO 58 HG3 PRO 58 -10.056 7.169 3.745 397 HG3 PRO 58 HG2 PRO 58 -9.455 8.102 5.125 398 HD2 PRO 58 HD3 PRO 58 -10.407 9.196 2.734 399 HD3 PRO 58 HD2 PRO 58 -9.400 10.051 3.922 400 H ILE 59 H ILE 59 -9.763 6.697 2.061 401 HA ILE 59 HA ILE 59 -8.730 5.170 -0.287 402 HB ILE 59 HB ILE 59 -11.052 4.442 1.521 403 HG12 ILE 59 HG13 ILE 59 -9.036 4.325 2.852 404 HG13 ILE 59 HG12 ILE 59 -9.450 2.678 2.377 405 HG21 ILE 59 HG21 ILE 59 -9.498 2.837 -0.532 406 HG22 ILE 59 HG22 ILE 59 -11.107 3.516 -0.779 407 HG23 ILE 59 HG23 ILE 59 -10.858 2.254 0.427 408 HD11 ILE 59 HD11 ILE 59 -7.886 3.138 0.335 409 HD12 ILE 59 HD12 ILE 59 -7.158 2.777 1.899 410 HD13 ILE 59 HD13 ILE 59 -7.249 4.445 1.335 411 H ARG 60 H ARG 60 -9.732 5.581 -2.216 412 HA ARG 60 HA ARG 60 -12.159 7.307 -2.146 413 HB2 ARG 60 HB3 ARG 60 -10.508 6.774 -4.605 414 HB3 ARG 60 HB2 ARG 60 -11.508 8.177 -4.228 415 HG2 ARG 60 HG3 ARG 60 -9.528 9.148 -3.667 416 HG3 ARG 60 HG2 ARG 60 -9.719 8.242 -2.165 417 HD2 ARG 60 HD3 ARG 60 -8.455 6.351 -3.176 418 HD3 ARG 60 HD2 ARG 60 -8.204 7.323 -4.625 419 HE ARG 60 HE ARG 60 -7.188 8.965 -2.714 420 HH11 ARG 60 HH22 ARG 60 -6.872 5.585 -3.323 421 HH12 ARG 60 HH21 ARG 60 -5.273 5.482 -2.668 422 HH21 ARG 60 HH11 ARG 60 -5.102 8.849 -1.856 423 HH22 ARG 60 HH12 ARG 60 -4.270 7.329 -1.837 424 H ILE 61 H ILE 61 -11.420 4.117 -2.398 425 HA ILE 61 HA ILE 61 -13.765 3.620 -4.179 426 HB ILE 61 HB ILE 61 -12.412 1.423 -4.713 427 HG12 ILE 61 HG13 ILE 61 -10.637 2.444 -2.976 428 HG13 ILE 61 HG12 ILE 61 -10.141 1.446 -4.342 429 HG21 ILE 61 HG21 ILE 61 -11.922 4.183 -5.841 430 HG22 ILE 61 HG22 ILE 61 -12.961 2.909 -6.483 431 HG23 ILE 61 HG23 ILE 61 -11.207 2.741 -6.564 432 HD11 ILE 61 HD11 ILE 61 -10.377 4.450 -4.576 433 HD12 ILE 61 HD12 ILE 61 -9.513 3.336 -5.635 434 HD13 ILE 61 HD13 ILE 61 -8.895 3.675 -4.019 435 HA PRO 62 HA PRO 62 -15.210 1.100 -0.833 436 HB2 PRO 62 HB2 PRO 62 -16.729 -0.735 -2.168 437 HB3 PRO 62 HB3 PRO 62 -17.220 0.957 -1.957 438 HG2 PRO 62 HG3 PRO 62 -16.024 -0.384 -4.328 439 HG3 PRO 62 HG2 PRO 62 -17.293 0.850 -4.246 440 HD2 PRO 62 HD3 PRO 62 -14.683 1.418 -4.883 441 HD3 PRO 62 HD2 PRO 62 -15.783 2.588 -4.122 442 H GLY 63 H GLY 63 -12.619 0.267 -2.295 443 HA2 GLY 63 HA3 GLY 63 -11.140 -1.497 -1.570 444 HA3 GLY 63 HA2 GLY 63 -12.552 -2.472 -1.166 445 H LYS 64 H LYS 64 -12.936 -0.927 -4.140 446 HA LYS 64 HA LYS 64 -12.841 -3.438 -5.585 447 HB2 LYS 64 HB3 LYS 64 -14.409 -1.534 -6.117 448 HB3 LYS 64 HB2 LYS 64 -13.019 -0.633 -6.723 449 HG2 LYS 64 HG3 LYS 64 -12.568 -2.386 -8.377 450 HG3 LYS 64 HG2 LYS 64 -13.907 -3.345 -7.746 451 HD2 LYS 64 HD3 LYS 64 -14.679 -2.158 -9.718 452 HD3 LYS 64 HD2 LYS 64 -15.457 -1.454 -8.300 453 HE2 LYS 64 HE3 LYS 64 -14.421 0.543 -8.581 454 HE3 LYS 64 HE2 LYS 64 -12.875 -0.211 -8.968 455 HZ1 LYS 64 HZ1 LYS 64 -14.871 0.810 -10.722 456 HZ2 LYS 64 HZ2 LYS 64 -14.510 -0.806 -11.085 457 HZ3 LYS 64 HZ3 LYS 64 -13.270 0.354 -11.060 458 H CYS 65 H CYS 65 -11.197 -4.212 -6.852 459 HA CYS 65 HA CYS 65 -8.733 -2.526 -7.053 460 HB2 CYS 65 HB3 CYS 65 -9.014 -5.539 -6.889 461 HB3 CYS 65 HB2 CYS 65 -7.490 -4.673 -7.087 462 H HIS 66 H HIS 66 -7.454 -2.892 -9.032 463 HA HIS 66 HA HIS 66 -7.435 -2.788 -11.389 464 HB2 HIS 66 HB3 HIS 66 -7.083 -5.210 -10.887 465 HB3 HIS 66 HB2 HIS 66 -8.825 -5.457 -11.013 466 HD1 HIS 66 HD1 HIS 66 -6.073 -3.898 -13.169 467 HD2 HIS 66 HD2 HIS 66 -9.567 -6.141 -13.579 468 HE1 HIS 66 HE1 HIS 66 -6.327 -4.385 -15.643 469 HE2 HIS 66 HE2 HIS 66 -8.450 -5.750 -15.903 Start of MODEL 14 1 H1 ALA 1 H1 ALA 1 -3.067 9.887 3.502 2 H2 ALA 1 H2 ALA 1 -4.012 11.272 3.778 3 H3 ALA 1 H3 ALA 1 -4.362 10.247 2.469 4 HA ALA 1 HA ALA 1 -5.321 10.115 5.111 5 HB1 ALA 1 HB1 ALA 1 -6.910 8.657 4.135 6 HB2 ALA 1 HB2 ALA 1 -5.776 8.109 2.902 7 HB3 ALA 1 HB3 ALA 1 -6.453 9.736 2.817 8 H ARG 2 H ARG 2 -5.803 7.179 4.978 9 HA ARG 2 HA ARG 2 -3.091 6.205 5.791 10 HB2 ARG 2 HB3 ARG 2 -4.508 6.708 7.777 11 HB3 ARG 2 HB2 ARG 2 -5.722 5.584 7.166 12 HG2 ARG 2 HG3 ARG 2 -4.024 3.764 7.218 13 HG3 ARG 2 HG2 ARG 2 -2.868 4.894 7.921 14 HD2 ARG 2 HD3 ARG 2 -4.480 5.282 9.803 15 HD3 ARG 2 HD2 ARG 2 -5.498 4.008 9.133 16 HE ARG 2 HE ARG 2 -2.842 2.999 9.480 17 HH11 ARG 2 HH22 ARG 2 -5.638 4.047 11.203 18 HH12 ARG 2 HH21 ARG 2 -5.349 3.018 12.566 19 HH21 ARG 2 HH11 ARG 2 -2.448 1.649 11.249 20 HH22 ARG 2 HH12 ARG 2 -3.543 1.659 12.592 21 H ASP 3 H ASP 3 -2.554 4.242 4.922 22 HA ASP 3 HA ASP 3 -4.586 2.908 3.228 23 HB2 ASP 3 HB3 ASP 3 -1.588 2.512 3.458 24 HB3 ASP 3 HB2 ASP 3 -2.634 1.633 2.344 25 H ALA 4 H ALA 4 -5.287 0.806 3.656 26 HA ALA 4 HA ALA 4 -4.516 -0.267 6.314 27 HB1 ALA 4 HB1 ALA 4 -6.556 -1.851 5.593 28 HB2 ALA 4 HB2 ALA 4 -6.929 -0.460 4.577 29 HB3 ALA 4 HB3 ALA 4 -6.818 -0.270 6.327 30 H TYR 5 H TYR 5 -5.680 -2.026 3.464 31 HA TYR 5 HA TYR 5 -3.342 -3.857 3.774 32 HB2 TYR 5 HB3 TYR 5 -6.014 -4.313 2.412 33 HB3 TYR 5 HB2 TYR 5 -4.734 -5.514 2.596 34 HD1 TYR 5 HD1 TYR 5 -4.099 -6.336 4.861 35 HD2 TYR 5 HD2 TYR 5 -7.453 -3.724 4.245 36 HE1 TYR 5 HE1 TYR 5 -4.960 -6.910 7.115 37 HE2 TYR 5 HE2 TYR 5 -8.314 -4.299 6.500 38 HH TYR 5 HH TYR 5 -7.766 -5.261 8.485 39 H ILE 6 H ILE 6 -3.799 -1.219 2.119 40 HA ILE 6 HA ILE 6 -2.846 -2.356 -0.475 41 HB ILE 6 HB ILE 6 -3.838 -0.453 -1.595 42 HG12 ILE 6 HG13 ILE 6 -4.587 0.507 1.191 43 HG13 ILE 6 HG12 ILE 6 -3.380 1.250 0.141 44 HG21 ILE 6 HG21 ILE 6 -5.968 -1.206 0.380 45 HG22 ILE 6 HG22 ILE 6 -5.267 -2.459 -0.643 46 HG23 ILE 6 HG23 ILE 6 -6.073 -1.071 -1.375 47 HD11 ILE 6 HD11 ILE 6 -5.284 2.556 -0.266 48 HD12 ILE 6 HD12 ILE 6 -6.368 1.166 -0.198 49 HD13 ILE 6 HD13 ILE 6 -5.316 1.397 -1.595 50 H ALA 7 H ALA 7 -1.182 -1.097 -1.575 51 HA ALA 7 HA ALA 7 0.567 0.313 0.366 52 HB1 ALA 7 HB1 ALA 7 1.569 -1.553 -0.905 53 HB2 ALA 7 HB2 ALA 7 2.341 -0.023 -1.318 54 HB3 ALA 7 HB3 ALA 7 1.163 -0.740 -2.416 55 H LYS 8 H LYS 8 -1.500 0.871 -2.321 56 HA LYS 8 HA LYS 8 -0.643 3.716 -2.339 57 HB2 LYS 8 HB3 LYS 8 -1.513 3.079 -4.963 58 HB3 LYS 8 HB2 LYS 8 0.112 3.542 -4.455 59 HG2 LYS 8 HG3 LYS 8 0.599 1.174 -3.900 60 HG3 LYS 8 HG2 LYS 8 -1.012 0.724 -4.461 61 HD2 LYS 8 HD3 LYS 8 -0.437 1.705 -6.699 62 HD3 LYS 8 HD2 LYS 8 1.210 1.950 -6.117 63 HE2 LYS 8 HE3 LYS 8 1.632 -0.356 -5.957 64 HE3 LYS 8 HE2 LYS 8 -0.083 -0.763 -5.936 65 HZ1 LYS 8 HZ1 LYS 8 1.625 -0.024 -8.207 66 HZ2 LYS 8 HZ2 LYS 8 -0.031 0.337 -8.275 67 HZ3 LYS 8 HZ3 LYS 8 0.479 -1.272 -8.080 68 HA PRO 9 HA PRO 9 -4.967 4.498 -2.004 69 HB2 PRO 9 HB2 PRO 9 -5.204 6.848 -3.407 70 HB3 PRO 9 HB3 PRO 9 -4.521 6.734 -1.774 71 HG2 PRO 9 HG3 PRO 9 -3.138 6.966 -4.393 72 HG3 PRO 9 HG2 PRO 9 -2.721 7.677 -2.824 73 HD2 PRO 9 HD3 PRO 9 -1.453 5.474 -3.851 74 HD3 PRO 9 HD2 PRO 9 -1.613 5.781 -2.107 75 H HIS 10 H HIS 10 -3.616 4.549 -5.271 76 HA HIS 10 HA HIS 10 -6.317 4.204 -6.426 77 HB2 HIS 10 HB3 HIS 10 -3.621 4.385 -7.801 78 HB3 HIS 10 HB2 HIS 10 -5.197 4.432 -8.592 79 HD1 HIS 10 HD1 HIS 10 -6.834 6.427 -7.385 80 HD2 HIS 10 HD2 HIS 10 -2.694 6.940 -7.348 81 HE1 HIS 10 HE1 HIS 10 -6.420 8.897 -6.994 82 HE2 HIS 10 HE2 HIS 10 -3.904 9.219 -6.969 83 H ASN 11 H ASN 11 -3.496 2.318 -5.612 84 HA ASN 11 HA ASN 11 -4.922 -0.083 -6.640 85 HB2 ASN 11 HB3 ASN 11 -1.956 0.029 -6.991 86 HB3 ASN 11 HB2 ASN 11 -3.166 -0.848 -7.929 87 HD21 ASN 11 HD22 ASN 11 -1.997 2.494 -7.287 88 HD22 ASN 11 HD21 ASN 11 -2.447 3.104 -8.805 89 H CYS 12 H CYS 12 -3.470 -2.098 -5.883 90 HA CYS 12 HA CYS 12 -2.431 -1.598 -3.138 91 HB2 CYS 12 HB3 CYS 12 -3.748 -3.541 -2.309 92 HB3 CYS 12 HB2 CYS 12 -4.784 -2.226 -2.865 93 H VAL 13 H VAL 13 -1.679 -3.995 -2.327 94 HA VAL 13 HA VAL 13 0.022 -5.032 -4.554 95 HB VAL 13 HB VAL 13 0.414 -5.313 -1.560 96 HG11 VAL 13 HG11 VAL 13 2.832 -5.746 -2.643 97 HG12 VAL 13 HG12 VAL 13 1.835 -6.301 -3.988 98 HG13 VAL 13 HG13 VAL 13 1.671 -7.050 -2.400 99 HG21 VAL 13 HG21 VAL 13 2.111 -3.599 -1.776 100 HG22 VAL 13 HG22 VAL 13 0.613 -2.962 -2.454 101 HG23 VAL 13 HG23 VAL 13 1.890 -3.537 -3.525 102 H TYR 14 H TYR 14 -0.262 -7.115 -5.201 103 HA TYR 14 HA TYR 14 -2.466 -8.668 -4.119 104 HB2 TYR 14 HB3 TYR 14 -1.991 -10.236 -5.849 105 HB3 TYR 14 HB2 TYR 14 -1.630 -8.657 -6.548 106 HD1 TYR 14 HD1 TYR 14 0.731 -7.878 -6.736 107 HD2 TYR 14 HD2 TYR 14 -0.259 -11.852 -5.443 108 HE1 TYR 14 HE1 TYR 14 3.065 -8.599 -7.166 109 HE2 TYR 14 HE2 TYR 14 2.074 -12.575 -5.874 110 HH TYR 14 HH TYR 14 4.277 -11.636 -6.086 111 H GLU 15 H GLU 15 1.045 -8.718 -3.830 112 HA GLU 15 HA GLU 15 0.792 -10.457 -1.464 113 HB2 GLU 15 HB3 GLU 15 1.106 -11.965 -3.492 114 HB3 GLU 15 HB2 GLU 15 2.686 -11.209 -3.704 115 HG2 GLU 15 HG3 GLU 15 3.021 -13.223 -2.420 116 HG3 GLU 15 HG2 GLU 15 3.220 -11.856 -1.323 117 H CYS 16 H CYS 16 1.558 -8.579 -0.345 118 HA CYS 16 HA CYS 16 3.846 -7.073 -1.085 119 HB2 CYS 16 HB3 CYS 16 2.923 -5.951 0.657 120 HB3 CYS 16 HB2 CYS 16 2.203 -7.415 1.326 121 H PHE 17 H PHE 17 5.779 -8.016 -1.507 122 HA PHE 17 HA PHE 17 6.670 -10.496 -0.393 123 HB2 PHE 17 HB3 PHE 17 7.784 -9.946 -2.359 124 HB3 PHE 17 HB2 PHE 17 7.956 -8.252 -1.909 125 HD1 PHE 17 HD2 PHE 17 9.704 -7.535 -0.328 126 HD2 PHE 17 HD1 PHE 17 9.354 -11.628 -1.582 127 HE1 PHE 17 HE2 PHE 17 11.975 -7.996 0.548 128 HE2 PHE 17 HE1 PHE 17 11.628 -12.091 -0.705 129 HZ PHE 17 HZ PHE 17 12.939 -10.275 0.359 130 H ASP 18 H ASP 18 8.664 -10.678 1.047 131 HA ASP 18 HA ASP 18 8.273 -9.645 3.577 132 HB2 ASP 18 HB3 ASP 18 9.988 -11.368 2.984 133 HB3 ASP 18 HB2 ASP 18 11.006 -10.080 2.338 134 H ALA 19 H ALA 19 7.854 -7.520 3.956 135 HA ALA 19 HA ALA 19 9.133 -5.366 2.500 136 HB1 ALA 19 HB1 ALA 19 6.870 -5.139 3.453 137 HB2 ALA 19 HB2 ALA 19 7.951 -3.901 4.090 138 HB3 ALA 19 HB3 ALA 19 7.535 -5.302 5.077 139 H PHE 20 H PHE 20 10.261 -7.367 4.931 140 HA PHE 20 HA PHE 20 11.571 -5.697 6.758 141 HB2 PHE 20 HB3 PHE 20 11.597 -8.203 6.808 142 HB3 PHE 20 HB2 PHE 20 12.763 -8.180 5.484 143 HD1 PHE 20 HD1 PHE 20 12.197 -7.246 9.026 144 HD2 PHE 20 HD2 PHE 20 15.064 -7.575 5.845 145 HE1 PHE 20 HE1 PHE 20 14.038 -6.907 10.652 146 HE2 PHE 20 HE2 PHE 20 16.907 -7.237 7.471 147 HZ PHE 20 HZ PHE 20 16.394 -6.903 9.873 148 H SER 21 H SER 21 12.643 -6.653 3.487 149 HA SER 21 HA SER 21 15.143 -5.272 3.577 150 HB2 SER 21 HB3 SER 21 13.392 -5.759 1.153 151 HB3 SER 21 HB2 SER 21 15.124 -5.435 1.146 152 HG SER 21 HG SER 21 15.479 -7.386 2.125 153 H SER 22 H SER 22 11.982 -4.260 2.265 154 HA SER 22 HA SER 22 11.662 -1.740 3.171 155 HB2 SER 22 HB3 SER 22 13.734 -0.792 2.705 156 HB3 SER 22 HB2 SER 22 13.966 -1.762 1.251 157 HG SER 22 HG SER 22 12.815 0.686 1.568 158 H TYR 23 H TYR 23 10.856 -4.067 1.148 159 HA TYR 23 HA TYR 23 9.954 -2.867 -1.249 160 HB2 TYR 23 HB3 TYR 23 9.928 -5.312 -0.816 161 HB3 TYR 23 HB2 TYR 23 8.583 -5.079 0.302 162 HD1 TYR 23 HD1 TYR 23 9.637 -4.942 -3.235 163 HD2 TYR 23 HD2 TYR 23 6.359 -4.519 -0.490 164 HE1 TYR 23 HE1 TYR 23 8.041 -4.979 -5.134 165 HE2 TYR 23 HE2 TYR 23 4.765 -4.556 -2.388 166 HH TYR 23 HH TYR 23 5.117 -3.890 -5.097 167 H CYS 24 H CYS 24 7.711 -3.729 1.399 168 HA CYS 24 HA CYS 24 5.677 -1.936 0.522 169 HB2 CYS 24 HB3 CYS 24 5.457 -3.881 2.179 170 HB3 CYS 24 HB2 CYS 24 6.082 -2.773 3.399 171 H ASN 25 H ASN 25 8.056 -1.573 3.158 172 HA ASN 25 HA ASN 25 7.356 1.080 3.884 173 HB2 ASN 25 HB3 ASN 25 10.079 -0.264 3.935 174 HB3 ASN 25 HB2 ASN 25 9.673 1.230 4.780 175 HD21 ASN 25 HD22 ASN 25 6.924 -0.714 4.766 176 HD22 ASN 25 HD21 ASN 25 7.115 -1.448 6.284 177 H GLY 26 H GLY 26 9.427 -0.180 1.320 178 HA2 GLY 26 HA3 GLY 26 10.613 2.268 0.493 179 HA3 GLY 26 HA2 GLY 26 10.333 0.883 -0.565 180 H VAL 27 H VAL 27 7.493 0.773 -0.351 181 HA VAL 27 HA VAL 27 6.736 2.674 -2.342 182 HB VAL 27 HB VAL 27 5.061 1.023 -0.431 183 HG11 VAL 27 HG11 VAL 27 3.517 1.617 -2.661 184 HG12 VAL 27 HG12 VAL 27 4.330 3.143 -2.316 185 HG13 VAL 27 HG13 VAL 27 3.353 2.364 -1.072 186 HG21 VAL 27 HG21 VAL 27 6.334 -0.342 -1.971 187 HG22 VAL 27 HG22 VAL 27 5.903 0.699 -3.327 188 HG23 VAL 27 HG23 VAL 27 4.670 -0.297 -2.552 189 H CYS 28 H CYS 28 6.089 2.569 1.160 190 HA CYS 28 HA CYS 28 4.754 5.139 1.199 191 HB2 CYS 28 HB3 CYS 28 6.046 3.496 3.398 192 HB3 CYS 28 HB2 CYS 28 5.131 4.975 3.687 193 H THR 29 H THR 29 8.063 4.122 1.213 194 HA THR 29 HA THR 29 9.272 6.381 2.474 195 HB THR 29 HB THR 29 10.415 4.652 0.267 196 HG1 THR 29 HG1 THR 29 11.297 3.548 2.153 197 HG21 THR 29 HG21 THR 29 12.216 5.978 0.495 198 HG22 THR 29 HG22 THR 29 12.356 5.421 2.163 199 HG23 THR 29 HG23 THR 29 11.435 6.879 1.794 200 H LYS 30 H LYS 30 8.119 5.903 -0.825 201 HA LYS 30 HA LYS 30 9.488 7.960 -2.155 202 HB2 LYS 30 HB3 LYS 30 6.706 6.851 -2.466 203 HB3 LYS 30 HB2 LYS 30 7.258 8.186 -3.477 204 HG2 LYS 30 HG3 LYS 30 7.718 6.124 -4.653 205 HG3 LYS 30 HG2 LYS 30 9.256 6.789 -4.103 206 HD2 LYS 30 HD3 LYS 30 9.370 5.252 -2.273 207 HD3 LYS 30 HD2 LYS 30 7.700 4.739 -2.514 208 HE2 LYS 30 HE3 LYS 30 8.278 3.264 -4.128 209 HE3 LYS 30 HE2 LYS 30 9.338 4.431 -4.919 210 HZ1 LYS 30 HZ1 LYS 30 11.091 3.468 -4.003 211 HZ2 LYS 30 HZ2 LYS 30 10.081 2.264 -3.363 212 HZ3 LYS 30 HZ3 LYS 30 10.443 3.645 -2.442 213 H ASN 31 H ASN 31 6.727 8.215 0.040 214 HA ASN 31 HA ASN 31 6.022 10.914 -0.459 215 HB2 ASN 31 HB3 ASN 31 4.877 9.222 1.104 216 HB3 ASN 31 HB2 ASN 31 6.087 9.695 2.299 217 HD21 ASN 31 HD22 ASN 31 5.418 11.376 3.627 218 HD22 ASN 31 HD21 ASN 31 4.302 12.581 3.194 219 H GLY 32 H GLY 32 8.664 9.524 1.415 220 HA2 GLY 32 HA3 GLY 32 10.747 10.735 1.747 221 HA3 GLY 32 HA2 GLY 32 9.848 12.248 1.623 222 H ALA 33 H ALA 33 8.002 10.191 3.432 223 HA ALA 33 HA ALA 33 9.307 10.301 5.998 224 HB1 ALA 33 HB1 ALA 33 7.260 11.975 6.714 225 HB2 ALA 33 HB2 ALA 33 7.723 12.637 5.146 226 HB3 ALA 33 HB3 ALA 33 8.921 12.498 6.434 227 H LYS 34 H LYS 34 6.445 9.953 4.034 228 HA LYS 34 HA LYS 34 4.589 8.986 5.926 229 HB2 LYS 34 HB3 LYS 34 4.161 9.395 3.472 230 HB3 LYS 34 HB2 LYS 34 5.011 7.889 3.130 231 HG2 LYS 34 HG3 LYS 34 3.387 6.653 4.500 232 HG3 LYS 34 HG2 LYS 34 2.538 8.155 4.856 233 HD2 LYS 34 HD3 LYS 34 2.337 8.463 2.318 234 HD3 LYS 34 HD2 LYS 34 2.836 6.779 2.186 235 HE2 LYS 34 HE3 LYS 34 0.624 6.307 2.394 236 HE3 LYS 34 HE2 LYS 34 0.862 6.653 4.109 237 HZ1 LYS 34 HZ1 LYS 34 -0.598 8.123 2.155 238 HZ2 LYS 34 HZ2 LYS 34 0.561 9.103 2.914 239 HZ3 LYS 34 HZ3 LYS 34 -0.598 8.283 3.847 240 H SER 35 H SER 35 4.527 7.120 7.130 241 HA SER 35 HA SER 35 6.627 5.082 6.539 242 HB2 SER 35 HB3 SER 35 6.594 4.541 8.918 243 HB3 SER 35 HB2 SER 35 6.866 6.269 8.716 244 HG SER 35 HG SER 35 5.144 5.402 10.255 245 H GLY 36 H GLY 36 5.975 2.939 6.328 246 HA2 GLY 36 HA3 GLY 36 3.167 2.274 6.988 247 HA3 GLY 36 HA2 GLY 36 3.707 2.017 5.330 248 H TYR 37 H TYR 37 2.770 -0.037 7.063 249 HA TYR 37 HA TYR 37 5.256 -1.685 7.294 250 HB2 TYR 37 HB3 TYR 37 2.847 -2.023 9.090 251 HB3 TYR 37 HB2 TYR 37 4.468 -2.682 9.307 252 HD1 TYR 37 HD1 TYR 37 6.406 -0.905 9.487 253 HD2 TYR 37 HD2 TYR 37 2.253 -0.062 10.194 254 HE1 TYR 37 HE1 TYR 37 7.038 1.103 10.800 255 HE2 TYR 37 HE2 TYR 37 2.885 1.947 11.507 256 HH TYR 37 HH TYR 37 5.940 2.489 12.677 257 H CYS 38 H CYS 38 4.867 -3.989 6.853 258 HA CYS 38 HA CYS 38 2.535 -4.363 5.060 259 HB2 CYS 38 HB3 CYS 38 4.695 -4.901 4.081 260 HB3 CYS 38 HB2 CYS 38 5.061 -5.993 5.417 261 H GLN 39 H GLN 39 0.819 -5.445 5.825 262 HA GLN 39 HA GLN 39 1.225 -7.245 8.181 263 HB2 GLN 39 HB3 GLN 39 -1.240 -5.686 7.362 264 HB3 GLN 39 HB2 GLN 39 -1.104 -6.728 8.781 265 HG2 GLN 39 HG3 GLN 39 0.779 -5.300 9.592 266 HG3 GLN 39 HG2 GLN 39 0.499 -4.215 8.228 267 HE21 GLN 39 HE22 GLN 39 -2.497 -5.423 9.015 268 HE22 GLN 39 HE21 GLN 39 -3.015 -4.206 10.081 269 H ILE 40 H ILE 40 -0.779 -8.838 8.286 270 HA ILE 40 HA ILE 40 -0.744 -10.278 5.704 271 HB ILE 40 HB ILE 40 -1.883 -11.125 8.366 272 HG12 ILE 40 HG13 ILE 40 0.787 -11.817 7.098 273 HG13 ILE 40 HG12 ILE 40 0.580 -10.681 8.432 274 HG21 ILE 40 HG21 ILE 40 -1.064 -13.310 6.786 275 HG22 ILE 40 HG22 ILE 40 -1.951 -12.229 5.709 276 HG23 ILE 40 HG23 ILE 40 -2.716 -12.833 7.179 277 HD11 ILE 40 HD11 ILE 40 1.002 -12.578 9.664 278 HD12 ILE 40 HD12 ILE 40 0.360 -13.655 8.423 279 HD13 ILE 40 HD13 ILE 40 -0.741 -12.768 9.478 280 H LEU 41 H LEU 41 -2.482 -10.447 4.422 281 HA LEU 41 HA LEU 41 -4.792 -8.796 4.777 282 HB2 LEU 41 HB3 LEU 41 -3.827 -9.692 2.605 283 HB3 LEU 41 HB2 LEU 41 -4.562 -11.240 3.008 284 HG LEU 41 HG LEU 41 -6.776 -10.052 3.225 285 HD11 LEU 41 HD11 LEU 41 -6.685 -7.799 3.336 286 HD12 LEU 41 HD12 LEU 41 -6.361 -7.818 1.603 287 HD13 LEU 41 HD13 LEU 41 -5.023 -7.770 2.749 288 HD21 LEU 41 HD21 LEU 41 -5.212 -10.441 0.734 289 HD22 LEU 41 HD22 LEU 41 -6.678 -9.473 0.571 290 HD23 LEU 41 HD23 LEU 41 -6.772 -11.119 1.201 291 H GLY 42 H GLY 42 -4.019 -12.073 5.678 292 HA2 GLY 42 HA3 GLY 42 -5.272 -13.154 7.501 293 HA3 GLY 42 HA2 GLY 42 -6.729 -12.346 6.906 294 H THR 43 H THR 43 -5.254 -13.051 4.181 295 HA THR 43 HA THR 43 -6.278 -15.842 3.986 296 HB THR 43 HB THR 43 -7.300 -15.377 1.891 297 HG1 THR 43 HG1 THR 43 -6.116 -12.807 1.981 298 HG21 THR 43 HG21 THR 43 -7.737 -12.946 3.648 299 HG22 THR 43 HG22 THR 43 -8.579 -14.488 3.801 300 HG23 THR 43 HG23 THR 43 -8.817 -13.492 2.365 301 H TYR 44 H TYR 44 -5.308 -16.853 1.862 302 HA TYR 44 HA TYR 44 -2.543 -17.058 2.057 303 HB2 TYR 44 HB3 TYR 44 -2.559 -18.104 -0.074 304 HB3 TYR 44 HB2 TYR 44 -4.168 -18.409 0.581 305 HD1 TYR 44 HD1 TYR 44 -6.106 -16.998 -0.157 306 HD2 TYR 44 HD2 TYR 44 -2.241 -16.729 -2.011 307 HE1 TYR 44 HE1 TYR 44 -7.120 -15.841 -2.101 308 HE2 TYR 44 HE2 TYR 44 -3.254 -15.569 -3.955 309 HH TYR 44 HH TYR 44 -6.617 -14.548 -3.936 310 H GLY 45 H GLY 45 -4.307 -14.342 0.997 311 HA2 GLY 45 HA3 GLY 45 -2.140 -13.271 -0.690 312 HA3 GLY 45 HA2 GLY 45 -3.667 -12.466 -0.334 313 H ASN 46 H ASN 46 -1.808 -10.725 -0.102 314 HA ASN 46 HA ASN 46 -1.299 -10.449 2.810 315 HB2 ASN 46 HB3 ASN 46 0.762 -11.305 1.490 316 HB3 ASN 46 HB2 ASN 46 0.808 -9.689 0.786 317 HD21 ASN 46 HD22 ASN 46 2.848 -9.211 1.930 318 HD22 ASN 46 HD21 ASN 46 2.850 -8.904 3.599 319 H GLY 47 H GLY 47 -0.778 -8.085 3.341 320 HA2 GLY 47 HA3 GLY 47 -1.775 -6.218 1.240 321 HA3 GLY 47 HA2 GLY 47 -2.569 -6.221 2.813 322 H CYS 48 H CYS 48 -1.217 -3.969 1.672 323 HA CYS 48 HA CYS 48 1.188 -3.724 3.402 324 HB2 CYS 48 HB3 CYS 48 0.476 -2.694 0.750 325 HB3 CYS 48 HB2 CYS 48 1.130 -1.459 1.827 326 H TRP 49 H TRP 49 1.386 -1.793 4.717 327 HA TRP 49 HA TRP 49 -1.205 -0.386 5.202 328 HB2 TRP 49 HB3 TRP 49 -0.260 -2.157 6.946 329 HB3 TRP 49 HB2 TRP 49 0.767 -0.803 7.417 330 HD1 TRP 49 HD1 TRP 49 -0.491 1.452 8.234 331 HE1 TRP 49 HE1 TRP 49 -2.779 1.764 9.382 332 HE3 TRP 49 HE3 TRP 49 -2.633 -3.055 7.160 333 HZ2 TRP 49 HZ2 TRP 49 -5.199 0.292 9.790 334 HZ3 TRP 49 HZ3 TRP 49 -4.927 -3.575 7.939 335 HH2 TRP 49 HH2 TRP 49 -6.211 -1.910 9.253 336 H CYS 50 H CYS 50 -1.021 1.830 5.084 337 HA CYS 50 HA CYS 50 1.688 3.017 5.481 338 HB2 CYS 50 HB3 CYS 50 0.760 2.740 2.999 339 HB3 CYS 50 HB2 CYS 50 -0.092 4.225 3.422 340 H ILE 51 H ILE 51 1.673 4.745 6.833 341 HA ILE 51 HA ILE 51 -0.962 6.019 7.423 342 HB ILE 51 HB ILE 51 1.319 5.496 9.345 343 HG12 ILE 51 HG13 ILE 51 -1.296 4.305 9.901 344 HG13 ILE 51 HG12 ILE 51 -0.604 3.725 8.386 345 HG21 ILE 51 HG21 ILE 51 0.162 7.506 9.988 346 HG22 ILE 51 HG22 ILE 51 -0.445 6.215 11.024 347 HG23 ILE 51 HG23 ILE 51 -1.409 6.775 9.658 348 HD11 ILE 51 HD11 ILE 51 1.045 3.851 10.910 349 HD12 ILE 51 HD12 ILE 51 1.339 2.902 9.453 350 HD13 ILE 51 HD13 ILE 51 0.030 2.455 10.547 351 H ALA 52 H ALA 52 -1.007 8.245 7.534 352 HA ALA 52 HA ALA 52 1.455 9.816 7.701 353 HB1 ALA 52 HB1 ALA 52 0.482 9.058 5.136 354 HB2 ALA 52 HB2 ALA 52 1.785 10.190 5.507 355 HB3 ALA 52 HB3 ALA 52 0.129 10.774 5.344 356 H LEU 53 H LEU 53 -2.029 9.597 7.340 357 HA LEU 53 HA LEU 53 -2.248 12.288 8.621 358 HB2 LEU 53 HB3 LEU 53 -3.388 11.309 6.115 359 HB3 LEU 53 HB2 LEU 53 -4.623 11.924 7.210 360 HG LEU 53 HG LEU 53 -3.245 14.006 7.497 361 HD11 LEU 53 HD11 LEU 53 -1.666 13.956 5.191 362 HD12 LEU 53 HD12 LEU 53 -1.384 12.389 5.948 363 HD13 LEU 53 HD13 LEU 53 -1.087 13.872 6.854 364 HD21 LEU 53 HD21 LEU 53 -3.813 13.492 4.574 365 HD22 LEU 53 HD22 LEU 53 -3.995 14.999 5.471 366 HD23 LEU 53 HD23 LEU 53 -5.111 13.663 5.754 367 HA PRO 54 HA PRO 54 -4.859 10.675 11.802 368 HB2 PRO 54 HB2 PRO 54 -7.166 12.238 10.733 369 HB3 PRO 54 HB3 PRO 54 -6.490 12.201 12.373 370 HG2 PRO 54 HG3 PRO 54 -6.060 14.248 10.715 371 HG3 PRO 54 HG2 PRO 54 -4.838 13.699 11.873 372 HD2 PRO 54 HD3 PRO 54 -4.903 13.374 8.920 373 HD3 PRO 54 HD2 PRO 54 -3.512 13.447 10.023 374 H ASP 55 H ASP 55 -5.458 10.035 8.585 375 HA ASP 55 HA ASP 55 -6.380 8.023 7.702 376 HB2 ASP 55 HB3 ASP 55 -6.540 7.299 10.236 377 HB3 ASP 55 HB2 ASP 55 -8.241 7.727 10.037 378 H ASN 56 H ASN 56 -7.195 10.499 6.944 379 HA ASN 56 HA ASN 56 -10.171 10.427 6.997 380 HB2 ASN 56 HB3 ASN 56 -8.247 12.615 6.154 381 HB3 ASN 56 HB2 ASN 56 -10.005 12.744 6.087 382 HD21 ASN 56 HD22 ASN 56 -8.444 14.500 7.735 383 HD22 ASN 56 HD21 ASN 56 -8.793 14.155 9.359 384 H VAL 57 H VAL 57 -11.261 9.866 5.141 385 HA VAL 57 HA VAL 57 -11.553 9.070 2.946 386 HB VAL 57 HB VAL 57 -9.482 11.234 2.466 387 HG11 VAL 57 HG11 VAL 57 -10.784 9.296 0.680 388 HG12 VAL 57 HG12 VAL 57 -9.373 10.315 0.395 389 HG13 VAL 57 HG13 VAL 57 -10.995 10.971 0.173 390 HG21 VAL 57 HG21 VAL 57 -12.440 11.359 1.895 391 HG22 VAL 57 HG22 VAL 57 -11.302 12.689 2.106 392 HG23 VAL 57 HG23 VAL 57 -11.818 11.740 3.500 393 HA PRO 58 HA PRO 58 -7.578 6.627 3.314 394 HB2 PRO 58 HB2 PRO 58 -8.696 4.241 3.987 395 HB3 PRO 58 HB3 PRO 58 -8.289 5.481 5.188 396 HG2 PRO 58 HG3 PRO 58 -10.928 4.784 4.006 397 HG3 PRO 58 HG2 PRO 58 -10.519 5.254 5.666 398 HD2 PRO 58 HD3 PRO 58 -11.621 6.972 3.809 399 HD3 PRO 58 HD2 PRO 58 -10.648 7.504 5.197 400 H ILE 59 H ILE 59 -10.503 4.826 2.296 401 HA ILE 59 HA ILE 59 -9.129 4.293 -0.304 402 HB ILE 59 HB ILE 59 -11.208 2.595 1.105 403 HG12 ILE 59 HG13 ILE 59 -8.229 2.123 0.757 404 HG13 ILE 59 HG12 ILE 59 -8.985 2.660 2.258 405 HG21 ILE 59 HG21 ILE 59 -10.212 2.668 -1.594 406 HG22 ILE 59 HG22 ILE 59 -11.416 1.586 -0.895 407 HG23 ILE 59 HG23 ILE 59 -9.705 1.163 -0.828 408 HD11 ILE 59 HD11 ILE 59 -9.221 0.004 0.869 409 HD12 ILE 59 HD12 ILE 59 -10.519 0.561 1.926 410 HD13 ILE 59 HD13 ILE 59 -8.891 0.343 2.568 411 H ARG 60 H ARG 60 -10.117 5.193 -2.034 412 HA ARG 60 HA ARG 60 -13.024 5.849 -1.815 413 HB2 ARG 60 HB3 ARG 60 -11.189 7.331 -3.671 414 HB3 ARG 60 HB2 ARG 60 -12.680 7.881 -2.908 415 HG2 ARG 60 HG3 ARG 60 -11.206 8.994 -1.548 416 HG3 ARG 60 HG2 ARG 60 -11.200 7.448 -0.697 417 HD2 ARG 60 HD3 ARG 60 -9.239 6.741 -2.068 418 HD3 ARG 60 HD2 ARG 60 -9.216 8.339 -2.811 419 HE ARG 60 HE ARG 60 -9.108 8.436 0.102 420 HH11 ARG 60 HH22 ARG 60 -7.377 8.083 -2.858 421 HH12 ARG 60 HH21 ARG 60 -5.878 8.656 -2.205 422 HH21 ARG 60 HH11 ARG 60 -7.161 9.187 0.973 423 HH22 ARG 60 HH12 ARG 60 -5.756 9.281 -0.036 424 H ILE 61 H ILE 61 -10.817 3.865 -3.245 425 HA ILE 61 HA ILE 61 -11.657 3.896 -5.994 426 HB ILE 61 HB ILE 61 -10.335 1.939 -6.229 427 HG12 ILE 61 HG13 ILE 61 -11.256 1.441 -3.434 428 HG13 ILE 61 HG12 ILE 61 -11.103 0.313 -4.783 429 HG21 ILE 61 HG21 ILE 61 -8.299 2.527 -5.161 430 HG22 ILE 61 HG22 ILE 61 -9.136 3.207 -3.765 431 HG23 ILE 61 HG23 ILE 61 -9.179 4.047 -5.315 432 HD11 ILE 61 HD11 ILE 61 -8.561 0.630 -4.533 433 HD12 ILE 61 HD12 ILE 61 -9.375 -0.313 -3.285 434 HD13 ILE 61 HD13 ILE 61 -8.927 1.364 -2.972 435 HA PRO 62 HA PRO 62 -15.607 1.908 -5.786 436 HB2 PRO 62 HB2 PRO 62 -15.393 0.221 -8.005 437 HB3 PRO 62 HB3 PRO 62 -15.910 1.917 -8.043 438 HG2 PRO 62 HG3 PRO 62 -13.275 0.727 -8.688 439 HG3 PRO 62 HG2 PRO 62 -14.090 2.131 -9.394 440 HD2 PRO 62 HD3 PRO 62 -12.023 2.385 -7.655 441 HD3 PRO 62 HD2 PRO 62 -13.341 3.573 -7.739 442 H GLY 63 H GLY 63 -12.833 0.378 -4.996 443 HA2 GLY 63 HA3 GLY 63 -12.821 -1.498 -3.456 444 HA3 GLY 63 HA2 GLY 63 -14.295 -2.087 -4.223 445 H LYS 64 H LYS 64 -12.133 -1.008 -6.564 446 HA LYS 64 HA LYS 64 -11.772 -3.551 -7.758 447 HB2 LYS 64 HB3 LYS 64 -11.406 -1.314 -8.869 448 HB3 LYS 64 HB2 LYS 64 -9.875 -1.200 -8.000 449 HG2 LYS 64 HG3 LYS 64 -9.318 -3.496 -9.011 450 HG3 LYS 64 HG2 LYS 64 -10.680 -3.222 -10.097 451 HD2 LYS 64 HD3 LYS 64 -8.363 -1.295 -9.759 452 HD3 LYS 64 HD2 LYS 64 -8.477 -2.486 -11.054 453 HE2 LYS 64 HE3 LYS 64 -9.617 -0.928 -12.224 454 HE3 LYS 64 HE2 LYS 64 -10.952 -1.198 -11.105 455 HZ1 LYS 64 HZ1 LYS 64 -10.338 1.138 -11.215 456 HZ2 LYS 64 HZ2 LYS 64 -8.756 0.765 -10.730 457 HZ3 LYS 64 HZ3 LYS 64 -10.052 0.510 -9.662 458 H CYS 65 H CYS 65 -9.778 -1.792 -5.431 459 HA CYS 65 HA CYS 65 -7.955 -4.152 -5.279 460 HB2 CYS 65 HB3 CYS 65 -7.520 -1.294 -5.199 461 HB3 CYS 65 HB2 CYS 65 -6.907 -2.050 -3.727 462 H HIS 66 H HIS 66 -7.307 -4.839 -3.093 463 HA HIS 66 HA HIS 66 -8.759 -3.868 -0.772 464 HB2 HIS 66 HB3 HIS 66 -10.534 -5.190 -1.924 465 HB3 HIS 66 HB2 HIS 66 -9.490 -6.610 -1.847 466 HD1 HIS 66 HD1 HIS 66 -10.831 -4.011 0.622 467 HD2 HIS 66 HD2 HIS 66 -9.963 -8.087 0.431 468 HE1 HIS 66 HE1 HIS 66 -11.493 -4.992 2.863 469 HE2 HIS 66 HE2 HIS 66 -10.969 -7.471 2.758 Start of MODEL 15 1 H1 ALA 1 H1 ALA 1 -8.113 8.590 8.293 2 H2 ALA 1 H2 ALA 1 -7.326 7.478 7.277 3 H3 ALA 1 H3 ALA 1 -7.960 8.919 6.636 4 HA ALA 1 HA ALA 1 -6.148 10.080 7.134 5 HB1 ALA 1 HB1 ALA 1 -6.859 8.998 9.752 6 HB2 ALA 1 HB2 ALA 1 -6.199 10.580 9.337 7 HB3 ALA 1 HB3 ALA 1 -5.117 9.207 9.571 8 H ARG 2 H ARG 2 -6.099 6.623 7.764 9 HA ARG 2 HA ARG 2 -3.422 6.515 6.455 10 HB2 ARG 2 HB3 ARG 2 -2.639 4.864 8.056 11 HB3 ARG 2 HB2 ARG 2 -3.169 6.292 8.943 12 HG2 ARG 2 HG3 ARG 2 -5.399 5.179 9.270 13 HG3 ARG 2 HG2 ARG 2 -4.720 3.720 8.548 14 HD2 ARG 2 HD3 ARG 2 -2.935 3.735 10.291 15 HD3 ARG 2 HD2 ARG 2 -3.732 5.113 11.051 16 HE ARG 2 HE ARG 2 -4.629 2.333 11.166 17 HH11 ARG 2 HH22 ARG 2 -5.462 5.675 11.326 18 HH12 ARG 2 HH21 ARG 2 -6.876 5.413 12.290 19 HH21 ARG 2 HH11 ARG 2 -6.472 1.972 12.424 20 HH22 ARG 2 HH12 ARG 2 -7.448 3.317 12.912 21 H ASP 3 H ASP 3 -2.989 4.375 5.482 22 HA ASP 3 HA ASP 3 -5.529 3.076 4.640 23 HB2 ASP 3 HB3 ASP 3 -2.750 2.987 3.439 24 HB3 ASP 3 HB2 ASP 3 -4.142 2.112 2.805 25 H ALA 4 H ALA 4 -5.723 0.770 4.761 26 HA ALA 4 HA ALA 4 -3.975 -0.413 6.839 27 HB1 ALA 4 HB1 ALA 4 -6.171 -0.760 7.507 28 HB2 ALA 4 HB2 ALA 4 -5.844 -2.261 6.643 29 HB3 ALA 4 HB3 ALA 4 -6.745 -0.968 5.853 30 H TYR 5 H TYR 5 -5.612 -1.719 3.937 31 HA TYR 5 HA TYR 5 -3.279 -3.533 3.569 32 HB2 TYR 5 HB3 TYR 5 -5.872 -3.607 2.022 33 HB3 TYR 5 HB2 TYR 5 -4.718 -4.915 2.285 34 HD1 TYR 5 HD2 TYR 5 -4.532 -6.003 4.509 35 HD2 TYR 5 HD1 TYR 5 -7.498 -3.009 3.682 36 HE1 TYR 5 HE2 TYR 5 -5.778 -6.678 6.544 37 HE2 TYR 5 HE1 TYR 5 -8.748 -3.685 5.718 38 HH TYR 5 HH TYR 5 -7.438 -6.095 7.960 39 H ILE 6 H ILE 6 -4.247 -0.551 2.497 40 HA ILE 6 HA ILE 6 -3.122 -0.989 -0.232 41 HB ILE 6 HB ILE 6 -4.806 1.323 0.763 42 HG12 ILE 6 HG13 ILE 6 -5.596 -1.099 -0.887 43 HG13 ILE 6 HG12 ILE 6 -6.042 -0.831 0.799 44 HG21 ILE 6 HG21 ILE 6 -4.675 0.609 -2.098 45 HG22 ILE 6 HG22 ILE 6 -3.164 1.214 -1.423 46 HG23 ILE 6 HG23 ILE 6 -4.625 2.196 -1.331 47 HD11 ILE 6 HD11 ILE 6 -6.781 1.542 -0.402 48 HD12 ILE 6 HD12 ILE 6 -7.875 0.210 -0.028 49 HD13 ILE 6 HD13 ILE 6 -7.170 0.346 -1.639 50 H ALA 7 H ALA 7 -1.244 0.035 -0.764 51 HA ALA 7 HA ALA 7 -0.062 1.847 1.281 52 HB1 ALA 7 HB1 ALA 7 1.847 0.705 0.952 53 HB2 ALA 7 HB2 ALA 7 1.793 1.062 -0.774 54 HB3 ALA 7 HB3 ALA 7 0.976 -0.367 -0.144 55 H LYS 8 H LYS 8 -1.541 1.862 -1.744 56 HA LYS 8 HA LYS 8 -0.205 4.425 -2.486 57 HB2 LYS 8 HB3 LYS 8 -1.802 3.328 -4.624 58 HB3 LYS 8 HB2 LYS 8 -0.078 3.680 -4.606 59 HG2 LYS 8 HG3 LYS 8 -1.228 1.160 -3.372 60 HG3 LYS 8 HG2 LYS 8 -0.708 1.247 -5.049 61 HD2 LYS 8 HD3 LYS 8 1.154 2.188 -2.893 62 HD3 LYS 8 HD2 LYS 8 1.002 0.461 -3.223 63 HE2 LYS 8 HE3 LYS 8 2.041 0.625 -5.246 64 HE3 LYS 8 HE2 LYS 8 1.295 2.180 -5.615 65 HZ1 LYS 8 HZ1 LYS 8 3.088 3.237 -4.899 66 HZ2 LYS 8 HZ2 LYS 8 3.876 1.741 -4.761 67 HZ3 LYS 8 HZ3 LYS 8 3.074 2.405 -3.418 68 HA PRO 9 HA PRO 9 -4.100 6.444 -2.057 69 HB2 PRO 9 HB2 PRO 9 -4.105 8.256 -4.085 70 HB3 PRO 9 HB3 PRO 9 -3.029 8.389 -2.681 71 HG2 PRO 9 HG3 PRO 9 -2.441 7.449 -5.436 72 HG3 PRO 9 HG2 PRO 9 -1.434 8.386 -4.319 73 HD2 PRO 9 HD3 PRO 9 -1.152 5.665 -4.768 74 HD3 PRO 9 HD2 PRO 9 -0.591 6.506 -3.307 75 H HIS 10 H HIS 10 -3.687 6.075 -5.604 76 HA HIS 10 HA HIS 10 -6.542 5.250 -5.748 77 HB2 HIS 10 HB3 HIS 10 -4.630 6.182 -7.908 78 HB3 HIS 10 HB2 HIS 10 -6.310 5.719 -8.183 79 HD1 HIS 10 HD1 HIS 10 -4.187 8.417 -6.664 80 HD2 HIS 10 HD2 HIS 10 -8.238 7.595 -7.229 81 HE1 HIS 10 HE1 HIS 10 -5.438 10.553 -6.114 82 HE2 HIS 10 HE2 HIS 10 -7.903 10.063 -6.455 83 H ASN 11 H ASN 11 -3.503 3.889 -5.619 84 HA ASN 11 HA ASN 11 -4.421 1.488 -7.156 85 HB2 ASN 11 HB3 ASN 11 -1.585 2.475 -6.734 86 HB3 ASN 11 HB2 ASN 11 -2.047 1.024 -7.623 87 HD21 ASN 11 HD22 ASN 11 -2.018 4.557 -7.728 88 HD22 ASN 11 HD21 ASN 11 -2.464 4.691 -9.361 89 H CYS 12 H CYS 12 -3.560 -0.582 -6.284 90 HA CYS 12 HA CYS 12 -3.061 -0.434 -3.335 91 HB2 CYS 12 HB3 CYS 12 -4.622 -2.588 -4.789 92 HB3 CYS 12 HB2 CYS 12 -4.419 -2.421 -3.045 93 H VAL 13 H VAL 13 -2.256 -2.813 -2.645 94 HA VAL 13 HA VAL 13 0.077 -3.352 -4.410 95 HB VAL 13 HB VAL 13 -0.466 -4.265 -1.567 96 HG11 VAL 13 HG11 VAL 13 2.299 -4.198 -2.318 97 HG12 VAL 13 HG12 VAL 13 1.415 -5.125 -3.530 98 HG13 VAL 13 HG13 VAL 13 1.332 -5.590 -1.831 99 HG21 VAL 13 HG21 VAL 13 0.906 -1.874 -2.762 100 HG22 VAL 13 HG22 VAL 13 1.518 -2.552 -1.254 101 HG23 VAL 13 HG23 VAL 13 -0.141 -1.963 -1.347 102 H TYR 14 H TYR 14 0.274 -5.277 -5.477 103 HA TYR 14 HA TYR 14 -2.014 -7.030 -5.660 104 HB2 TYR 14 HB3 TYR 14 -0.736 -8.255 -7.264 105 HB3 TYR 14 HB2 TYR 14 -0.290 -6.563 -7.483 106 HD1 TYR 14 HD2 TYR 14 1.853 -5.698 -6.530 107 HD2 TYR 14 HD1 TYR 14 0.855 -9.876 -6.486 108 HE1 TYR 14 HE2 TYR 14 4.227 -6.260 -6.082 109 HE2 TYR 14 HE1 TYR 14 3.229 -10.437 -6.038 110 HH TYR 14 HH TYR 14 5.285 -8.914 -4.850 111 H GLU 15 H GLU 15 1.175 -7.320 -4.104 112 HA GLU 15 HA GLU 15 0.175 -9.049 -2.043 113 HB2 GLU 15 HB3 GLU 15 0.191 -10.599 -4.086 114 HB3 GLU 15 HB2 GLU 15 1.949 -10.459 -4.049 115 HG2 GLU 15 HG3 GLU 15 1.394 -12.428 -2.797 116 HG3 GLU 15 HG2 GLU 15 1.845 -11.193 -1.620 117 H CYS 16 H CYS 16 1.422 -7.808 -0.622 118 HA CYS 16 HA CYS 16 4.169 -7.097 -1.173 119 HB2 CYS 16 HB3 CYS 16 3.396 -5.656 0.428 120 HB3 CYS 16 HB2 CYS 16 2.294 -6.849 1.113 121 H PHE 17 H PHE 17 6.061 -8.114 -0.453 122 HA PHE 17 HA PHE 17 5.690 -10.837 0.743 123 HB2 PHE 17 HB3 PHE 17 7.145 -11.733 -0.775 124 HB3 PHE 17 HB2 PHE 17 6.666 -10.344 -1.749 125 HD1 PHE 17 HD1 PHE 17 8.070 -8.241 -1.687 126 HD2 PHE 17 HD2 PHE 17 9.350 -11.936 0.091 127 HE1 PHE 17 HE1 PHE 17 10.406 -7.407 -1.634 128 HE2 PHE 17 HE2 PHE 17 11.684 -11.102 0.143 129 HZ PHE 17 HZ PHE 17 12.210 -8.840 -0.714 130 H ASP 18 H ASP 18 8.035 -11.526 1.664 131 HA ASP 18 HA ASP 18 8.528 -10.101 3.985 132 HB2 ASP 18 HB3 ASP 18 10.541 -11.595 2.280 133 HB3 ASP 18 HB2 ASP 18 10.837 -11.078 3.941 134 H ALA 19 H ALA 19 9.358 -8.119 4.434 135 HA ALA 19 HA ALA 19 10.106 -6.310 2.342 136 HB1 ALA 19 HB1 ALA 19 11.164 -5.586 4.962 137 HB2 ALA 19 HB2 ALA 19 9.479 -6.100 5.051 138 HB3 ALA 19 HB3 ALA 19 9.940 -4.772 3.986 139 H PHE 20 H PHE 20 11.996 -8.329 4.551 140 HA PHE 20 HA PHE 20 14.314 -8.732 4.641 141 HB2 PHE 20 HB3 PHE 20 13.691 -9.739 2.429 142 HB3 PHE 20 HB2 PHE 20 14.099 -8.204 1.662 143 HD1 PHE 20 HD2 PHE 20 15.451 -11.080 3.567 144 HD2 PHE 20 HD1 PHE 20 16.387 -7.514 1.363 145 HE1 PHE 20 HE2 PHE 20 17.843 -11.735 3.522 146 HE2 PHE 20 HE1 PHE 20 18.779 -8.168 1.319 147 HZ PHE 20 HZ PHE 20 19.507 -10.279 2.397 148 H SER 21 H SER 21 13.117 -5.777 4.236 149 HA SER 21 HA SER 21 15.418 -4.342 4.963 150 HB2 SER 21 HB3 SER 21 16.535 -4.522 2.950 151 HB3 SER 21 HB2 SER 21 15.048 -4.729 2.029 152 HG SER 21 HG SER 21 16.449 -2.540 2.310 153 H SER 22 H SER 22 12.708 -3.979 2.669 154 HA SER 22 HA SER 22 10.909 -2.572 4.193 155 HB2 SER 22 HB3 SER 22 11.640 -0.134 3.346 156 HB3 SER 22 HB2 SER 22 12.209 -0.793 4.874 157 HG SER 22 HG SER 22 14.147 -1.073 4.041 158 H TYR 23 H TYR 23 10.830 -4.182 1.918 159 HA TYR 23 HA TYR 23 10.572 -2.798 -0.557 160 HB2 TYR 23 HB3 TYR 23 10.632 -5.271 -0.357 161 HB3 TYR 23 HB2 TYR 23 9.032 -5.233 0.386 162 HD1 TYR 23 HD1 TYR 23 10.934 -4.683 -2.731 163 HD2 TYR 23 HD2 TYR 23 7.043 -4.741 -0.913 164 HE1 TYR 23 HE1 TYR 23 9.885 -4.644 -4.977 165 HE2 TYR 23 HE2 TYR 23 5.993 -4.704 -3.160 166 HH TYR 23 HH TYR 23 6.379 -4.355 -5.363 167 H CYS 24 H CYS 24 8.042 -3.692 1.803 168 HA CYS 24 HA CYS 24 5.975 -2.211 0.424 169 HB2 CYS 24 HB3 CYS 24 5.426 -4.054 1.959 170 HB3 CYS 24 HB2 CYS 24 6.125 -3.153 3.304 171 H ASN 25 H ASN 25 7.865 -1.566 3.375 172 HA ASN 25 HA ASN 25 6.816 1.021 3.895 173 HB2 ASN 25 HB3 ASN 25 9.630 0.026 4.437 174 HB3 ASN 25 HB2 ASN 25 8.822 1.367 5.250 175 HD21 ASN 25 HD22 ASN 25 6.606 -1.128 4.537 176 HD22 ASN 25 HD21 ASN 25 6.595 -1.879 6.059 177 H GLY 26 H GLY 26 9.491 -0.043 1.833 178 HA2 GLY 26 HA3 GLY 26 10.500 2.543 1.178 179 HA3 GLY 26 HA2 GLY 26 10.684 1.106 0.171 180 H VAL 27 H VAL 27 7.997 0.537 -0.390 181 HA VAL 27 HA VAL 27 7.472 2.293 -2.568 182 HB VAL 27 HB VAL 27 5.654 0.368 -1.097 183 HG11 VAL 27 HG11 VAL 27 5.173 2.247 -3.344 184 HG12 VAL 27 HG12 VAL 27 4.030 1.549 -2.195 185 HG13 VAL 27 HG13 VAL 27 4.582 0.602 -3.577 186 HG21 VAL 27 HG21 VAL 27 6.532 -1.242 -2.434 187 HG22 VAL 27 HG22 VAL 27 7.849 -0.104 -2.715 188 HG23 VAL 27 HG23 VAL 27 6.504 -0.195 -3.852 189 H CYS 28 H CYS 28 6.064 2.143 0.690 190 HA CYS 28 HA CYS 28 4.183 4.273 0.301 191 HB2 CYS 28 HB3 CYS 28 4.455 2.506 2.252 192 HB3 CYS 28 HB2 CYS 28 5.460 3.764 2.971 193 H THR 29 H THR 29 7.573 4.187 1.268 194 HA THR 29 HA THR 29 7.823 6.884 2.149 195 HB THR 29 HB THR 29 9.926 5.196 0.768 196 HG1 THR 29 HG1 THR 29 9.561 5.466 3.543 197 HG21 THR 29 HG21 THR 29 10.876 7.308 0.940 198 HG22 THR 29 HG22 THR 29 11.315 6.621 2.504 199 HG23 THR 29 HG23 THR 29 9.945 7.723 2.378 200 H LYS 30 H LYS 30 8.088 5.477 -1.107 201 HA LYS 30 HA LYS 30 9.076 7.768 -2.444 202 HB2 LYS 30 HB3 LYS 30 7.377 5.443 -3.303 203 HB3 LYS 30 HB2 LYS 30 7.620 6.788 -4.414 204 HG2 LYS 30 HG3 LYS 30 9.358 5.249 -4.916 205 HG3 LYS 30 HG2 LYS 30 10.135 6.503 -3.953 206 HD2 LYS 30 HD3 LYS 30 9.897 5.111 -1.936 207 HD3 LYS 30 HD2 LYS 30 9.097 3.862 -2.892 208 HE2 LYS 30 HE3 LYS 30 11.042 3.138 -3.819 209 HE3 LYS 30 HE2 LYS 30 11.691 4.771 -3.963 210 HZ1 LYS 30 HZ1 LYS 30 12.834 3.273 -2.321 211 HZ2 LYS 30 HZ2 LYS 30 11.438 3.375 -1.364 212 HZ3 LYS 30 HZ3 LYS 30 12.331 4.777 -1.714 213 H ASN 31 H ASN 31 5.842 7.048 -1.279 214 HA ASN 31 HA ASN 31 4.340 8.904 -2.770 215 HB2 ASN 31 HB3 ASN 31 3.495 7.265 -0.997 216 HB3 ASN 31 HB2 ASN 31 3.964 8.476 0.198 217 HD21 ASN 31 HD22 ASN 31 2.568 10.266 0.499 218 HD22 ASN 31 HD21 ASN 31 1.171 10.537 -0.426 219 H GLY 32 H GLY 32 6.497 9.442 -0.011 220 HA2 GLY 32 HA3 GLY 32 7.251 12.036 -0.657 221 HA3 GLY 32 HA2 GLY 32 5.775 12.240 0.286 222 H ALA 33 H ALA 33 6.100 10.124 2.132 223 HA ALA 33 HA ALA 33 8.625 9.922 3.381 224 HB1 ALA 33 HB1 ALA 33 8.028 11.611 5.309 225 HB2 ALA 33 HB2 ALA 33 7.064 12.393 4.057 226 HB3 ALA 33 HB3 ALA 33 8.804 12.203 3.841 227 H LYS 34 H LYS 34 5.179 9.942 3.540 228 HA LYS 34 HA LYS 34 4.557 9.094 6.092 229 HB2 LYS 34 HB3 LYS 34 2.783 7.680 5.061 230 HB3 LYS 34 HB2 LYS 34 2.865 9.282 4.327 231 HG2 LYS 34 HG3 LYS 34 4.167 8.407 2.463 232 HG3 LYS 34 HG2 LYS 34 4.223 6.813 3.210 233 HD2 LYS 34 HD3 LYS 34 2.481 6.833 1.510 234 HD3 LYS 34 HD2 LYS 34 1.735 6.715 3.103 235 HE2 LYS 34 HE3 LYS 34 0.864 8.843 3.008 236 HE3 LYS 34 HE2 LYS 34 2.185 9.452 2.011 237 HZ1 LYS 34 HZ1 LYS 34 0.486 9.362 0.502 238 HZ2 LYS 34 HZ2 LYS 34 -0.233 7.997 1.206 239 HZ3 LYS 34 HZ3 LYS 34 1.175 7.825 0.271 240 H SER 35 H SER 35 4.693 7.149 7.236 241 HA SER 35 HA SER 35 6.657 5.188 6.154 242 HB2 SER 35 HB3 SER 35 7.044 4.529 8.460 243 HB3 SER 35 HB2 SER 35 7.141 6.286 8.366 244 HG SER 35 HG SER 35 4.767 4.875 9.011 245 H GLY 36 H GLY 36 6.099 2.932 6.164 246 HA2 GLY 36 HA3 GLY 36 3.317 2.286 6.960 247 HA3 GLY 36 HA2 GLY 36 3.792 1.983 5.292 248 H TYR 37 H TYR 37 2.899 -0.028 7.051 249 HA TYR 37 HA TYR 37 5.369 -1.695 7.286 250 HB2 TYR 37 HB3 TYR 37 2.938 -1.904 9.085 251 HB3 TYR 37 HB2 TYR 37 4.476 -2.746 9.268 252 HD1 TYR 37 HD2 TYR 37 6.595 -1.039 9.231 253 HD2 TYR 37 HD1 TYR 37 2.594 -0.077 10.467 254 HE1 TYR 37 HE2 TYR 37 7.468 0.854 10.575 255 HE2 TYR 37 HE1 TYR 37 3.467 1.818 11.812 256 HH TYR 37 HH TYR 37 6.715 2.178 12.587 257 H CYS 38 H CYS 38 4.971 -3.993 6.783 258 HA CYS 38 HA CYS 38 2.613 -4.304 5.006 259 HB2 CYS 38 HB3 CYS 38 4.769 -4.848 3.997 260 HB3 CYS 38 HB2 CYS 38 5.103 -6.005 5.285 261 H GLN 39 H GLN 39 0.885 -5.285 5.830 262 HA GLN 39 HA GLN 39 1.272 -7.233 8.064 263 HB2 GLN 39 HB3 GLN 39 -1.135 -5.519 7.365 264 HB3 GLN 39 HB2 GLN 39 -1.058 -6.668 8.704 265 HG2 GLN 39 HG3 GLN 39 0.872 -5.411 9.641 266 HG3 GLN 39 HG2 GLN 39 0.713 -4.233 8.339 267 HE21 GLN 39 HE22 GLN 39 -2.404 -5.116 8.894 268 HE22 GLN 39 HE21 GLN 39 -2.833 -3.969 10.069 269 H ILE 40 H ILE 40 -0.614 -8.916 8.076 270 HA ILE 40 HA ILE 40 -0.716 -10.023 5.336 271 HB ILE 40 HB ILE 40 -1.346 -12.113 6.382 272 HG12 ILE 40 HG13 ILE 40 -1.578 -10.483 8.935 273 HG13 ILE 40 HG12 ILE 40 -2.910 -11.246 8.066 274 HG21 ILE 40 HG21 ILE 40 1.034 -10.722 6.902 275 HG22 ILE 40 HG22 ILE 40 0.780 -12.462 7.039 276 HG23 ILE 40 HG23 ILE 40 0.572 -11.426 8.452 277 HD11 ILE 40 HD11 ILE 40 -1.175 -13.351 8.392 278 HD12 ILE 40 HD12 ILE 40 -2.551 -13.009 9.442 279 HD13 ILE 40 HD13 ILE 40 -0.941 -12.447 9.888 280 H LEU 41 H LEU 41 -2.537 -10.149 4.154 281 HA LEU 41 HA LEU 41 -4.841 -8.599 4.804 282 HB2 LEU 41 HB3 LEU 41 -4.123 -9.201 2.483 283 HB3 LEU 41 HB2 LEU 41 -4.626 -10.862 2.796 284 HG LEU 41 HG LEU 41 -6.924 -10.000 3.327 285 HD11 LEU 41 HD11 LEU 41 -6.754 -7.752 3.876 286 HD12 LEU 41 HD12 LEU 41 -7.239 -7.624 2.186 287 HD13 LEU 41 HD13 LEU 41 -5.545 -7.432 2.633 288 HD21 LEU 41 HD21 LEU 41 -5.981 -9.176 0.570 289 HD22 LEU 41 HD22 LEU 41 -7.576 -9.775 1.024 290 HD23 LEU 41 HD23 LEU 41 -6.186 -10.860 1.052 291 H GLY 42 H GLY 42 -3.994 -11.934 5.378 292 HA2 GLY 42 HA3 GLY 42 -5.104 -13.166 7.196 293 HA3 GLY 42 HA2 GLY 42 -6.597 -12.306 6.796 294 H THR 43 H THR 43 -5.356 -12.805 3.905 295 HA THR 43 HA THR 43 -6.451 -15.558 3.585 296 HB THR 43 HB THR 43 -7.571 -14.911 1.572 297 HG1 THR 43 HG1 THR 43 -6.821 -13.339 0.427 298 HG21 THR 43 HG21 THR 43 -9.266 -13.738 2.537 299 HG22 THR 43 HG22 THR 43 -8.200 -12.426 3.041 300 HG23 THR 43 HG23 THR 43 -8.295 -13.902 4.001 301 H TYR 44 H TYR 44 -5.665 -16.425 1.324 302 HA TYR 44 HA TYR 44 -2.911 -16.731 1.294 303 HB2 TYR 44 HB3 TYR 44 -3.105 -17.541 -0.932 304 HB3 TYR 44 HB2 TYR 44 -4.679 -17.862 -0.203 305 HD1 TYR 44 HD1 TYR 44 -6.604 -16.323 -0.653 306 HD2 TYR 44 HD2 TYR 44 -2.862 -15.976 -2.731 307 HE1 TYR 44 HE1 TYR 44 -7.698 -14.931 -2.388 308 HE2 TYR 44 HE2 TYR 44 -3.955 -14.582 -4.467 309 HH TYR 44 HH TYR 44 -6.178 -12.993 -4.415 310 H GLY 45 H GLY 45 -4.666 -13.882 0.526 311 HA2 GLY 45 HA3 GLY 45 -2.480 -12.715 -1.078 312 HA3 GLY 45 HA2 GLY 45 -4.006 -11.927 -0.683 313 H ASN 46 H ASN 46 -2.101 -10.238 -0.313 314 HA ASN 46 HA ASN 46 -1.671 -10.151 2.623 315 HB2 ASN 46 HB3 ASN 46 0.411 -10.979 1.306 316 HB3 ASN 46 HB2 ASN 46 0.524 -9.317 0.728 317 HD21 ASN 46 HD22 ASN 46 1.226 -7.692 2.224 318 HD22 ASN 46 HD21 ASN 46 1.730 -8.052 3.804 319 H GLY 47 H GLY 47 -0.992 -7.821 3.257 320 HA2 GLY 47 HA3 GLY 47 -1.967 -5.825 1.272 321 HA3 GLY 47 HA2 GLY 47 -2.721 -5.870 2.864 322 H CYS 48 H CYS 48 -1.140 -3.704 1.614 323 HA CYS 48 HA CYS 48 1.243 -3.626 3.373 324 HB2 CYS 48 HB3 CYS 48 0.520 -2.405 0.796 325 HB3 CYS 48 HB2 CYS 48 1.301 -1.295 1.921 326 H TRP 49 H TRP 49 1.466 -1.982 4.935 327 HA TRP 49 HA TRP 49 -1.053 -0.509 5.567 328 HB2 TRP 49 HB3 TRP 49 0.086 -2.269 7.173 329 HB3 TRP 49 HB2 TRP 49 1.166 -0.926 7.544 330 HD1 TRP 49 HD1 TRP 49 0.124 1.212 8.725 331 HE1 TRP 49 HE1 TRP 49 -2.049 1.543 10.075 332 HE3 TRP 49 HE3 TRP 49 -2.387 -3.027 7.396 333 HZ2 TRP 49 HZ2 TRP 49 -4.525 0.182 10.532 334 HZ3 TRP 49 HZ3 TRP 49 -4.647 -3.488 8.302 335 HH2 TRP 49 HH2 TRP 49 -5.718 -1.890 9.867 336 H CYS 50 H CYS 50 -0.958 1.709 5.414 337 HA CYS 50 HA CYS 50 1.757 2.979 5.474 338 HB2 CYS 50 HB3 CYS 50 -0.519 3.365 3.571 339 HB3 CYS 50 HB2 CYS 50 0.508 4.744 3.954 340 H ILE 51 H ILE 51 1.966 4.680 6.858 341 HA ILE 51 HA ILE 51 -0.522 5.716 8.144 342 HB ILE 51 HB ILE 51 2.224 5.345 9.370 343 HG12 ILE 51 HG13 ILE 51 -0.096 4.014 10.574 344 HG13 ILE 51 HG12 ILE 51 0.229 3.472 8.929 345 HG21 ILE 51 HG21 ILE 51 1.542 6.923 10.831 346 HG22 ILE 51 HG22 ILE 51 0.282 5.801 11.346 347 HG23 ILE 51 HG23 ILE 51 -0.058 6.994 10.092 348 HD11 ILE 51 HD11 ILE 51 2.414 3.684 11.004 349 HD12 ILE 51 HD12 ILE 51 2.450 2.813 9.471 350 HD13 ILE 51 HD13 ILE 51 1.454 2.219 10.800 351 H ALA 52 H ALA 52 -0.708 7.913 8.384 352 HA ALA 52 HA ALA 52 -0.026 10.193 8.380 353 HB1 ALA 52 HB1 ALA 52 2.409 9.184 8.545 354 HB2 ALA 52 HB2 ALA 52 2.162 10.845 8.009 355 HB3 ALA 52 HB3 ALA 52 2.453 9.573 6.825 356 H LEU 53 H LEU 53 -1.882 9.652 6.800 357 HA LEU 53 HA LEU 53 -1.062 10.581 4.083 358 HB2 LEU 53 HB3 LEU 53 -1.666 8.203 3.957 359 HB3 LEU 53 HB2 LEU 53 -3.199 8.535 4.758 360 HG LEU 53 HG LEU 53 -3.931 9.921 2.893 361 HD11 LEU 53 HD11 LEU 53 -2.320 9.790 0.808 362 HD12 LEU 53 HD12 LEU 53 -1.079 9.557 2.039 363 HD13 LEU 53 HD13 LEU 53 -2.061 11.020 2.045 364 HD21 LEU 53 HD21 LEU 53 -4.631 7.972 2.007 365 HD22 LEU 53 HD22 LEU 53 -3.229 7.127 2.664 366 HD23 LEU 53 HD23 LEU 53 -3.129 7.905 1.085 367 HA PRO 54 HA PRO 54 -3.985 13.597 6.091 368 HB2 PRO 54 HB2 PRO 54 -2.638 15.318 4.074 369 HB3 PRO 54 HB3 PRO 54 -2.935 15.619 5.796 370 HG2 PRO 54 HG3 PRO 54 -0.503 15.019 4.858 371 HG3 PRO 54 HG2 PRO 54 -1.056 14.492 6.456 372 HD2 PRO 54 HD3 PRO 54 -0.737 12.893 3.954 373 HD3 PRO 54 HD2 PRO 54 -0.557 12.389 5.650 374 H ASP 55 H ASP 55 -3.381 12.592 2.815 375 HA ASP 55 HA ASP 55 -5.360 14.045 1.410 376 HB2 ASP 55 HB3 ASP 55 -4.376 11.203 1.021 377 HB3 ASP 55 HB2 ASP 55 -5.400 12.057 -0.134 378 H ASN 56 H ASN 56 -5.640 11.197 3.484 379 HA ASN 56 HA ASN 56 -7.542 10.176 4.402 380 HB2 ASN 56 HB3 ASN 56 -8.060 12.730 4.721 381 HB3 ASN 56 HB2 ASN 56 -9.218 12.470 3.415 382 HD21 ASN 56 HD22 ASN 56 -9.136 9.507 4.770 383 HD22 ASN 56 HD21 ASN 56 -10.344 9.669 5.953 384 H VAL 57 H VAL 57 -6.806 9.358 1.857 385 HA VAL 57 HA VAL 57 -9.452 8.908 0.548 386 HB VAL 57 HB VAL 57 -8.220 8.746 -1.603 387 HG11 VAL 57 HG11 VAL 57 -7.853 11.304 -0.019 388 HG12 VAL 57 HG12 VAL 57 -9.229 10.879 -1.036 389 HG13 VAL 57 HG13 VAL 57 -7.654 11.189 -1.768 390 HG21 VAL 57 HG21 VAL 57 -6.004 8.291 -1.367 391 HG22 VAL 57 HG22 VAL 57 -5.950 8.971 0.260 392 HG23 VAL 57 HG23 VAL 57 -5.825 10.032 -1.144 393 HA PRO 58 HA PRO 58 -7.544 4.861 1.757 394 HB2 PRO 58 HB2 PRO 58 -9.684 3.855 3.090 395 HB3 PRO 58 HB3 PRO 58 -8.516 4.949 3.854 396 HG2 PRO 58 HG3 PRO 58 -11.245 5.509 2.829 397 HG3 PRO 58 HG2 PRO 58 -10.402 6.182 4.234 398 HD2 PRO 58 HD3 PRO 58 -10.680 7.465 1.776 399 HD3 PRO 58 HD2 PRO 58 -9.460 7.870 3.003 400 H ILE 59 H ILE 59 -11.081 4.785 1.261 401 HA ILE 59 HA ILE 59 -10.626 2.973 -1.065 402 HB ILE 59 HB ILE 59 -12.968 2.975 0.863 403 HG12 ILE 59 HG13 ILE 59 -10.704 0.976 0.552 404 HG13 ILE 59 HG12 ILE 59 -10.818 2.160 1.854 405 HG21 ILE 59 HG21 ILE 59 -12.658 1.954 -1.778 406 HG22 ILE 59 HG22 ILE 59 -14.006 1.698 -0.670 407 HG23 ILE 59 HG23 ILE 59 -12.646 0.576 -0.677 408 HD11 ILE 59 HD11 ILE 59 -13.130 1.167 2.347 409 HD12 ILE 59 HD12 ILE 59 -11.742 0.158 2.753 410 HD13 ILE 59 HD13 ILE 59 -12.667 -0.163 1.285 411 H ARG 60 H ARG 60 -11.480 3.701 -2.957 412 HA ARG 60 HA ARG 60 -13.828 5.472 -2.940 413 HB2 ARG 60 HB3 ARG 60 -12.752 7.291 -4.120 414 HB3 ARG 60 HB2 ARG 60 -11.808 6.969 -2.664 415 HG2 ARG 60 HG3 ARG 60 -10.336 5.461 -4.074 416 HG3 ARG 60 HG2 ARG 60 -11.181 6.085 -5.490 417 HD2 ARG 60 HD3 ARG 60 -9.615 7.722 -3.478 418 HD3 ARG 60 HD2 ARG 60 -9.130 7.361 -5.134 419 HE ARG 60 HE ARG 60 -11.698 8.635 -5.154 420 HH11 ARG 60 HH22 ARG 60 -8.346 9.181 -4.552 421 HH12 ARG 60 HH21 ARG 60 -8.402 10.852 -5.006 422 HH21 ARG 60 HH11 ARG 60 -11.789 10.813 -5.749 423 HH22 ARG 60 HH12 ARG 60 -10.350 11.775 -5.683 424 H ILE 61 H ILE 61 -11.346 3.701 -4.672 425 HA ILE 61 HA ILE 61 -12.693 3.833 -7.244 426 HB ILE 61 HB ILE 61 -11.043 1.715 -7.541 427 HG12 ILE 61 HG13 ILE 61 -9.049 2.001 -6.167 428 HG13 ILE 61 HG12 ILE 61 -9.785 3.356 -5.318 429 HG21 ILE 61 HG21 ILE 61 -9.363 3.314 -8.320 430 HG22 ILE 61 HG22 ILE 61 -10.126 4.600 -7.385 431 HG23 ILE 61 HG23 ILE 61 -10.974 3.883 -8.755 432 HD11 ILE 61 HD11 ILE 61 -9.849 0.898 -4.300 433 HD12 ILE 61 HD12 ILE 61 -11.250 0.745 -5.358 434 HD13 ILE 61 HD13 ILE 61 -11.220 1.989 -4.108 435 HA PRO 62 HA PRO 62 -15.710 0.657 -6.947 436 HB2 PRO 62 HB2 PRO 62 -15.010 -0.892 -9.196 437 HB3 PRO 62 HB3 PRO 62 -16.129 0.482 -9.173 438 HG2 PRO 62 HG3 PRO 62 -13.294 0.363 -10.009 439 HG3 PRO 62 HG2 PRO 62 -14.611 1.389 -10.602 440 HD2 PRO 62 HD3 PRO 62 -12.657 2.358 -8.994 441 HD3 PRO 62 HD2 PRO 62 -14.324 2.968 -8.920 442 H GLY 63 H GLY 63 -12.408 -0.040 -6.694 443 HA2 GLY 63 HA3 GLY 63 -11.592 -1.734 -5.167 444 HA3 GLY 63 HA2 GLY 63 -13.048 -2.675 -5.486 445 H LYS 64 H LYS 64 -11.730 -1.348 -8.317 446 HA LYS 64 HA LYS 64 -11.231 -3.841 -9.551 447 HB2 LYS 64 HB3 LYS 64 -11.505 -1.694 -10.779 448 HB3 LYS 64 HB2 LYS 64 -9.920 -1.183 -10.197 449 HG2 LYS 64 HG3 LYS 64 -8.907 -3.177 -11.290 450 HG3 LYS 64 HG2 LYS 64 -10.495 -3.602 -11.934 451 HD2 LYS 64 HD3 LYS 64 -10.587 -1.400 -13.089 452 HD3 LYS 64 HD2 LYS 64 -8.961 -1.048 -12.502 453 HE2 LYS 64 HE3 LYS 64 -7.969 -2.601 -13.899 454 HE3 LYS 64 HE2 LYS 64 -9.405 -3.623 -13.955 455 HZ1 LYS 64 HZ1 LYS 64 -10.139 -1.197 -15.052 456 HZ2 LYS 64 HZ2 LYS 64 -9.901 -2.663 -15.872 457 HZ3 LYS 64 HZ3 LYS 64 -8.620 -1.557 -15.723 458 H CYS 65 H CYS 65 -9.092 -1.743 -7.681 459 HA CYS 65 HA CYS 65 -6.660 -3.163 -8.284 460 HB2 CYS 65 HB3 CYS 65 -5.657 -1.803 -6.670 461 HB3 CYS 65 HB2 CYS 65 -7.036 -0.820 -7.160 462 H HIS 66 H HIS 66 -5.564 -4.726 -6.965 463 HA HIS 66 HA HIS 66 -7.430 -6.351 -5.304 464 HB2 HIS 66 HB3 HIS 66 -4.713 -7.137 -6.393 465 HB3 HIS 66 HB2 HIS 66 -5.930 -8.207 -5.696 466 HD1 HIS 66 HD1 HIS 66 -8.440 -7.704 -7.070 467 HD2 HIS 66 HD2 HIS 66 -4.834 -7.348 -9.136 468 HE1 HIS 66 HE1 HIS 66 -9.000 -7.922 -9.532 469 HE2 HIS 66 HE2 HIS 66 -6.812 -7.705 -10.799 Start of MODEL 16 1 H1 ALA 1 H1 ALA 1 -5.276 12.226 4.273 2 H2 ALA 1 H2 ALA 1 -4.748 11.093 3.122 3 H3 ALA 1 H3 ALA 1 -3.753 11.497 4.439 4 HA ALA 1 HA ALA 1 -5.641 10.631 5.896 5 HB1 ALA 1 HB1 ALA 1 -6.984 10.487 3.559 6 HB2 ALA 1 HB2 ALA 1 -7.326 9.418 4.919 7 HB3 ALA 1 HB3 ALA 1 -6.300 8.862 3.597 8 H ARG 2 H ARG 2 -5.764 7.758 5.283 9 HA ARG 2 HA ARG 2 -2.868 7.064 5.138 10 HB2 ARG 2 HB3 ARG 2 -3.052 5.620 7.080 11 HB3 ARG 2 HB2 ARG 2 -3.593 7.235 7.537 12 HG2 ARG 2 HG3 ARG 2 -5.954 6.497 7.087 13 HG3 ARG 2 HG2 ARG 2 -5.342 4.860 6.842 14 HD2 ARG 2 HD3 ARG 2 -4.342 4.942 9.132 15 HD3 ARG 2 HD2 ARG 2 -5.102 6.515 9.371 16 HE ARG 2 HE ARG 2 -6.941 4.353 8.602 17 HH11 ARG 2 HH22 ARG 2 -5.398 6.187 11.081 18 HH12 ARG 2 HH21 ARG 2 -6.604 5.837 12.274 19 HH21 ARG 2 HH11 ARG 2 -8.524 3.886 10.146 20 HH22 ARG 2 HH12 ARG 2 -8.374 4.535 11.745 21 H ASP 3 H ASP 3 -2.521 4.771 4.602 22 HA ASP 3 HA ASP 3 -4.810 3.686 3.036 23 HB2 ASP 3 HB3 ASP 3 -2.227 4.161 2.249 24 HB3 ASP 3 HB2 ASP 3 -2.166 2.447 2.668 25 H ALA 4 H ALA 4 -5.341 1.440 3.238 26 HA ALA 4 HA ALA 4 -4.568 0.315 5.870 27 HB1 ALA 4 HB1 ALA 4 -6.834 -0.315 3.967 28 HB2 ALA 4 HB2 ALA 4 -6.947 0.463 5.547 29 HB3 ALA 4 HB3 ALA 4 -6.511 -1.242 5.433 30 H TYR 5 H TYR 5 -5.512 -1.366 2.874 31 HA TYR 5 HA TYR 5 -3.139 -3.145 3.278 32 HB2 TYR 5 HB3 TYR 5 -5.509 -3.738 1.507 33 HB3 TYR 5 HB2 TYR 5 -4.373 -4.874 2.237 34 HD1 TYR 5 HD1 TYR 5 -7.268 -2.682 2.833 35 HD2 TYR 5 HD2 TYR 5 -4.562 -5.524 4.577 36 HE1 TYR 5 HE1 TYR 5 -8.771 -2.908 4.797 37 HE2 TYR 5 HE2 TYR 5 -6.062 -5.750 6.541 38 HH TYR 5 HH TYR 5 -9.195 -4.799 6.577 39 H ILE 6 H ILE 6 -3.947 -0.518 1.499 40 HA ILE 6 HA ILE 6 -2.622 -1.529 -0.974 41 HB ILE 6 HB ILE 6 -4.318 0.952 -0.609 42 HG12 ILE 6 HG13 ILE 6 -5.020 -1.731 -1.841 43 HG13 ILE 6 HG12 ILE 6 -5.596 -1.157 -0.275 44 HG21 ILE 6 HG21 ILE 6 -3.637 1.491 -2.679 45 HG22 ILE 6 HG22 ILE 6 -4.184 -0.075 -3.277 46 HG23 ILE 6 HG23 ILE 6 -2.540 0.110 -2.663 47 HD11 ILE 6 HD11 ILE 6 -7.247 -0.009 -1.279 48 HD12 ILE 6 HD12 ILE 6 -6.710 -0.631 -2.840 49 HD13 ILE 6 HD13 ILE 6 -6.061 0.890 -2.227 50 H ALA 7 H ALA 7 -0.740 -0.563 -1.665 51 HA ALA 7 HA ALA 7 0.366 1.593 0.080 52 HB1 ALA 7 HB1 ALA 7 2.122 0.186 0.246 53 HB2 ALA 7 HB2 ALA 7 2.454 0.543 -1.448 54 HB3 ALA 7 HB3 ALA 7 1.479 -0.862 -1.018 55 H LYS 8 H LYS 8 -1.289 1.480 -2.618 56 HA LYS 8 HA LYS 8 0.413 3.503 -4.001 57 HB2 LYS 8 HB3 LYS 8 -1.475 2.086 -5.736 58 HB3 LYS 8 HB2 LYS 8 0.236 2.417 -5.985 59 HG2 LYS 8 HG3 LYS 8 -0.830 0.216 -4.183 60 HG3 LYS 8 HG2 LYS 8 -0.262 -0.029 -5.830 61 HD2 LYS 8 HD3 LYS 8 1.661 1.494 -4.266 62 HD3 LYS 8 HD2 LYS 8 1.316 -0.069 -3.526 63 HE2 LYS 8 HE3 LYS 8 1.903 0.187 -6.477 64 HE3 LYS 8 HE2 LYS 8 3.195 0.007 -5.290 65 HZ1 LYS 8 HZ1 LYS 8 1.578 -1.932 -4.508 66 HZ2 LYS 8 HZ2 LYS 8 2.797 -2.165 -5.664 67 HZ3 LYS 8 HZ3 LYS 8 1.192 -1.914 -6.164 68 HA PRO 9 HA PRO 9 -3.049 6.209 -3.701 69 HB2 PRO 9 HB2 PRO 9 -2.952 7.485 -6.155 70 HB3 PRO 9 HB3 PRO 9 -1.918 7.882 -4.770 71 HG2 PRO 9 HG3 PRO 9 -1.308 6.276 -7.189 72 HG3 PRO 9 HG2 PRO 9 -0.269 7.371 -6.263 73 HD2 PRO 9 HD3 PRO 9 -0.101 4.655 -6.058 74 HD3 PRO 9 HD2 PRO 9 0.297 5.747 -4.715 75 H HIS 10 H HIS 10 -2.875 4.349 -6.729 76 HA HIS 10 HA HIS 10 -5.829 4.036 -6.581 77 HB2 HIS 10 HB3 HIS 10 -4.321 4.608 -9.147 78 HB3 HIS 10 HB2 HIS 10 -6.065 4.412 -8.969 79 HD1 HIS 10 HD1 HIS 10 -7.173 6.231 -7.185 80 HD2 HIS 10 HD2 HIS 10 -3.522 7.244 -8.931 81 HE1 HIS 10 HE1 HIS 10 -6.912 8.737 -6.904 82 HE2 HIS 10 HE2 HIS 10 -4.694 9.363 -7.962 83 H ASN 11 H ASN 11 -2.836 2.614 -6.740 84 HA ASN 11 HA ASN 11 -3.923 0.163 -8.070 85 HB2 ASN 11 HB3 ASN 11 -1.033 1.007 -7.693 86 HB3 ASN 11 HB2 ASN 11 -1.586 -0.446 -8.527 87 HD21 ASN 11 HD22 ASN 11 -1.114 3.003 -8.840 88 HD22 ASN 11 HD21 ASN 11 -1.650 3.130 -10.445 89 H CYS 12 H CYS 12 -2.951 -1.901 -7.114 90 HA CYS 12 HA CYS 12 -2.737 -1.620 -4.140 91 HB2 CYS 12 HB3 CYS 12 -3.879 -3.942 -5.719 92 HB3 CYS 12 HB2 CYS 12 -3.830 -3.798 -3.962 93 H VAL 13 H VAL 13 -1.719 -3.793 -3.235 94 HA VAL 13 HA VAL 13 0.849 -4.132 -4.689 95 HB VAL 13 HB VAL 13 0.050 -5.044 -1.906 96 HG11 VAL 13 HG11 VAL 13 2.254 -5.709 -3.575 97 HG12 VAL 13 HG12 VAL 13 2.024 -6.120 -1.876 98 HG13 VAL 13 HG13 VAL 13 2.862 -4.632 -2.317 99 HG21 VAL 13 HG21 VAL 13 0.251 -2.857 -1.371 100 HG22 VAL 13 HG22 VAL 13 0.842 -2.451 -2.983 101 HG23 VAL 13 HG23 VAL 13 1.967 -3.015 -1.746 102 H TYR 14 H TYR 14 1.415 -6.078 -5.610 103 HA TYR 14 HA TYR 14 -0.626 -8.048 -6.086 104 HB2 TYR 14 HB3 TYR 14 1.027 -9.226 -7.336 105 HB3 TYR 14 HB2 TYR 14 1.404 -7.517 -7.553 106 HD1 TYR 14 HD1 TYR 14 3.241 -6.461 -6.213 107 HD2 TYR 14 HD2 TYR 14 2.531 -10.698 -6.192 108 HE1 TYR 14 HE1 TYR 14 5.504 -6.836 -5.270 109 HE2 TYR 14 HE2 TYR 14 4.794 -11.072 -5.248 110 HH TYR 14 HH TYR 14 7.197 -8.872 -5.312 111 H GLU 15 H GLU 15 2.268 -8.049 -4.003 112 HA GLU 15 HA GLU 15 1.022 -9.637 -1.972 113 HB2 GLU 15 HB3 GLU 15 1.313 -11.392 -3.782 114 HB3 GLU 15 HB2 GLU 15 3.055 -11.152 -3.635 115 HG2 GLU 15 HG3 GLU 15 2.898 -11.706 -1.214 116 HG3 GLU 15 HG2 GLU 15 1.179 -12.039 -1.425 117 H CYS 16 H CYS 16 2.044 -8.200 -0.538 118 HA CYS 16 HA CYS 16 4.818 -7.469 -0.755 119 HB2 CYS 16 HB3 CYS 16 3.801 -5.972 0.655 120 HB3 CYS 16 HB2 CYS 16 2.670 -7.175 1.279 121 H PHE 17 H PHE 17 6.627 -8.376 0.284 122 HA PHE 17 HA PHE 17 6.158 -11.043 1.562 123 HB2 PHE 17 HB3 PHE 17 7.909 -11.965 0.366 124 HB3 PHE 17 HB2 PHE 17 7.336 -10.785 -0.809 125 HD1 PHE 17 HD2 PHE 17 8.388 -8.387 -0.644 126 HD2 PHE 17 HD1 PHE 17 10.154 -11.925 1.030 127 HE1 PHE 17 HE2 PHE 17 10.598 -7.265 -0.600 128 HE2 PHE 17 HE1 PHE 17 12.364 -10.802 1.074 129 HZ PHE 17 HZ PHE 17 12.585 -8.472 0.261 130 H ASP 18 H ASP 18 9.012 -11.268 2.238 131 HA ASP 18 HA ASP 18 8.974 -10.092 4.815 132 HB2 ASP 18 HB3 ASP 18 11.331 -10.982 3.129 133 HB3 ASP 18 HB2 ASP 18 11.436 -10.569 4.839 134 H ALA 19 H ALA 19 9.781 -8.161 5.623 135 HA ALA 19 HA ALA 19 10.049 -5.973 3.718 136 HB1 ALA 19 HB1 ALA 19 10.202 -6.161 6.728 137 HB2 ALA 19 HB2 ALA 19 8.941 -5.419 5.745 138 HB3 ALA 19 HB3 ALA 19 10.526 -4.655 5.870 139 H PHE 20 H PHE 20 12.190 -8.287 4.350 140 HA PHE 20 HA PHE 20 14.569 -7.118 5.257 141 HB2 PHE 20 HB3 PHE 20 14.293 -9.520 4.573 142 HB3 PHE 20 HB2 PHE 20 14.340 -9.001 2.888 143 HD1 PHE 20 HD1 PHE 20 16.284 -9.282 6.022 144 HD2 PHE 20 HD2 PHE 20 16.399 -8.276 1.848 145 HE1 PHE 20 HE1 PHE 20 18.764 -9.288 6.089 146 HE2 PHE 20 HE2 PHE 20 18.879 -8.283 1.914 147 HZ PHE 20 HZ PHE 20 20.060 -8.789 4.035 148 H SER 21 H SER 21 13.144 -6.996 2.001 149 HA SER 21 HA SER 21 15.242 -5.117 1.112 150 HB2 SER 21 HB3 SER 21 14.354 -5.395 -1.070 151 HB3 SER 21 HB2 SER 21 14.216 -6.989 -0.336 152 HG SER 21 HG SER 21 12.036 -6.326 0.255 153 H SER 22 H SER 22 12.617 -4.812 2.993 154 HA SER 22 HA SER 22 11.128 -3.065 3.486 155 HB2 SER 22 HB3 SER 22 12.053 -0.839 3.289 156 HB3 SER 22 HB2 SER 22 13.370 -1.928 3.716 157 HG SER 22 HG SER 22 12.907 -1.681 1.015 158 H TYR 23 H TYR 23 10.754 -4.493 0.959 159 HA TYR 23 HA TYR 23 10.209 -2.763 -1.225 160 HB2 TYR 23 HB3 TYR 23 10.220 -5.196 -1.468 161 HB3 TYR 23 HB2 TYR 23 8.814 -5.329 -0.410 162 HD1 TYR 23 HD2 TYR 23 6.608 -4.489 -1.131 163 HD2 TYR 23 HD1 TYR 23 10.007 -4.440 -3.758 164 HE1 TYR 23 HE2 TYR 23 5.104 -4.127 -3.071 165 HE2 TYR 23 HE1 TYR 23 8.504 -4.074 -5.697 166 HH TYR 23 HH TYR 23 5.559 -4.733 -5.887 167 H CYS 24 H CYS 24 8.051 -3.865 1.394 168 HA CYS 24 HA CYS 24 5.769 -2.386 0.478 169 HB2 CYS 24 HB3 CYS 24 5.642 -4.251 2.122 170 HB3 CYS 24 HB2 CYS 24 6.454 -3.229 3.309 171 H ASN 25 H ASN 25 8.002 -1.686 3.176 172 HA ASN 25 HA ASN 25 7.032 0.946 3.660 173 HB2 ASN 25 HB3 ASN 25 9.818 -0.168 4.115 174 HB3 ASN 25 HB2 ASN 25 9.164 1.296 4.854 175 HD21 ASN 25 HD22 ASN 25 6.736 -1.071 4.451 176 HD22 ASN 25 HD21 ASN 25 6.739 -1.684 6.035 177 H GLY 26 H GLY 26 9.481 -0.285 1.431 178 HA2 GLY 26 HA3 GLY 26 10.631 2.188 0.649 179 HA3 GLY 26 HA2 GLY 26 10.539 0.761 -0.385 180 H VAL 27 H VAL 27 7.757 0.488 -0.618 181 HA VAL 27 HA VAL 27 7.172 2.406 -2.667 182 HB VAL 27 HB VAL 27 5.366 0.510 -1.142 183 HG11 VAL 27 HG11 VAL 27 3.929 2.190 -2.025 184 HG12 VAL 27 HG12 VAL 27 3.883 0.879 -3.205 185 HG13 VAL 27 HG13 VAL 27 4.863 2.312 -3.516 186 HG21 VAL 27 HG21 VAL 27 6.113 -1.071 -2.570 187 HG22 VAL 27 HG22 VAL 27 7.357 0.072 -3.080 188 HG23 VAL 27 HG23 VAL 27 5.831 -0.022 -3.959 189 H CYS 28 H CYS 28 6.066 2.086 0.691 190 HA CYS 28 HA CYS 28 4.373 4.428 0.624 191 HB2 CYS 28 HB3 CYS 28 4.510 2.400 2.329 192 HB3 CYS 28 HB2 CYS 28 5.651 3.457 3.159 193 H THR 29 H THR 29 7.767 3.852 1.302 194 HA THR 29 HA THR 29 8.403 6.310 2.585 195 HB THR 29 HB THR 29 10.174 4.685 0.741 196 HG1 THR 29 HG1 THR 29 9.178 4.275 3.278 197 HG21 THR 29 HG21 THR 29 11.180 6.811 1.231 198 HG22 THR 29 HG22 THR 29 11.953 5.622 2.280 199 HG23 THR 29 HG23 THR 29 10.720 6.701 2.931 200 H LYS 30 H LYS 30 7.984 5.536 -0.831 201 HA LYS 30 HA LYS 30 9.284 7.687 -2.048 202 HB2 LYS 30 HB3 LYS 30 6.877 6.070 -2.707 203 HB3 LYS 30 HB2 LYS 30 7.062 7.588 -3.582 204 HG2 LYS 30 HG3 LYS 30 8.164 5.859 -4.857 205 HG3 LYS 30 HG2 LYS 30 9.416 6.879 -4.151 206 HD2 LYS 30 HD3 LYS 30 9.757 5.274 -2.343 207 HD3 LYS 30 HD2 LYS 30 8.432 4.279 -2.948 208 HE2 LYS 30 HE3 LYS 30 10.009 3.175 -4.132 209 HE3 LYS 30 HE2 LYS 30 10.033 4.592 -5.179 210 HZ1 LYS 30 HZ1 LYS 30 12.248 3.990 -4.366 211 HZ2 LYS 30 HZ2 LYS 30 11.729 4.231 -2.769 212 HZ3 LYS 30 HZ3 LYS 30 11.783 5.540 -3.851 213 H ASN 31 H ASN 31 6.374 7.750 -0.100 214 HA ASN 31 HA ASN 31 5.273 10.223 -0.906 215 HB2 ASN 31 HB3 ASN 31 4.369 8.580 0.850 216 HB3 ASN 31 HB2 ASN 31 5.468 9.367 1.985 217 HD21 ASN 31 HD22 ASN 31 4.661 11.216 3.002 218 HD22 ASN 31 HD21 ASN 31 3.329 12.117 2.460 219 H GLY 32 H GLY 32 8.121 9.512 1.021 220 HA2 GLY 32 HA3 GLY 32 9.960 11.123 1.095 221 HA3 GLY 32 HA2 GLY 32 8.770 12.421 0.986 222 H ALA 33 H ALA 33 7.543 10.124 3.049 223 HA ALA 33 HA ALA 33 8.966 10.491 5.470 224 HB1 ALA 33 HB1 ALA 33 8.540 12.657 5.947 225 HB2 ALA 33 HB2 ALA 33 6.876 12.148 6.237 226 HB3 ALA 33 HB3 ALA 33 7.343 12.781 4.658 227 H LYS 34 H LYS 34 5.945 9.971 3.800 228 HA LYS 34 HA LYS 34 4.316 9.062 5.920 229 HB2 LYS 34 HB3 LYS 34 3.707 9.334 3.439 230 HB3 LYS 34 HB2 LYS 34 4.423 7.741 3.200 231 HG2 LYS 34 HG3 LYS 34 2.876 6.804 4.891 232 HG3 LYS 34 HG2 LYS 34 2.144 8.396 5.083 233 HD2 LYS 34 HD3 LYS 34 1.860 8.252 2.466 234 HD3 LYS 34 HD2 LYS 34 1.993 6.517 2.756 235 HE2 LYS 34 HE3 LYS 34 0.232 7.094 4.688 236 HE3 LYS 34 HE2 LYS 34 -0.150 8.419 3.590 237 HZ1 LYS 34 HZ1 LYS 34 -0.841 5.695 3.371 238 HZ2 LYS 34 HZ2 LYS 34 0.116 6.131 2.041 239 HZ3 LYS 34 HZ3 LYS 34 -1.308 6.994 2.381 240 H SER 35 H SER 35 4.367 7.208 7.166 241 HA SER 35 HA SER 35 6.501 5.229 6.492 242 HB2 SER 35 HB3 SER 35 5.270 5.861 9.188 243 HB3 SER 35 HB2 SER 35 6.562 4.702 8.891 244 HG SER 35 HG SER 35 7.785 6.489 8.049 245 H GLY 36 H GLY 36 5.905 3.042 6.383 246 HA2 GLY 36 HA3 GLY 36 3.136 2.348 7.163 247 HA3 GLY 36 HA2 GLY 36 3.615 2.065 5.489 248 H TYR 37 H TYR 37 2.760 -0.025 7.074 249 HA TYR 37 HA TYR 37 5.272 -1.613 7.372 250 HB2 TYR 37 HB3 TYR 37 2.839 -1.948 9.145 251 HB3 TYR 37 HB2 TYR 37 4.433 -2.672 9.354 252 HD1 TYR 37 HD1 TYR 37 6.432 -1.089 9.735 253 HD2 TYR 37 HD2 TYR 37 2.329 0.133 10.112 254 HE1 TYR 37 HE1 TYR 37 7.139 0.872 11.079 255 HE2 TYR 37 HE2 TYR 37 3.038 2.095 11.456 256 HH TYR 37 HH TYR 37 4.893 3.405 11.956 257 H CYS 38 H CYS 38 4.848 -3.980 7.037 258 HA CYS 38 HA CYS 38 2.638 -4.337 5.085 259 HB2 CYS 38 HB3 CYS 38 4.878 -4.957 4.311 260 HB3 CYS 38 HB2 CYS 38 5.055 -6.068 5.671 261 H GLN 39 H GLN 39 0.832 -5.299 5.784 262 HA GLN 39 HA GLN 39 1.006 -7.129 8.144 263 HB2 GLN 39 HB3 GLN 39 -1.295 -5.386 7.207 264 HB3 GLN 39 HB2 GLN 39 -1.348 -6.482 8.591 265 HG2 GLN 39 HG3 GLN 39 0.543 -5.242 9.620 266 HG3 GLN 39 HG2 GLN 39 0.519 -4.115 8.264 267 HE21 GLN 39 HE22 GLN 39 -2.658 -4.884 8.611 268 HE22 GLN 39 HE21 GLN 39 -3.139 -3.679 9.705 269 H ILE 40 H ILE 40 -1.005 -8.703 8.095 270 HA ILE 40 HA ILE 40 -0.975 -9.941 5.394 271 HB ILE 40 HB ILE 40 -1.715 -11.979 6.521 272 HG12 ILE 40 HG13 ILE 40 -1.739 -10.279 9.038 273 HG13 ILE 40 HG12 ILE 40 -3.174 -10.888 8.213 274 HG21 ILE 40 HG21 ILE 40 0.374 -12.441 7.281 275 HG22 ILE 40 HG22 ILE 40 0.331 -11.135 8.465 276 HG23 ILE 40 HG23 ILE 40 0.747 -10.790 6.787 277 HD11 ILE 40 HD11 ILE 40 -2.950 -12.635 9.659 278 HD12 ILE 40 HD12 ILE 40 -1.236 -12.320 9.931 279 HD13 ILE 40 HD13 ILE 40 -1.754 -13.190 8.488 280 H LEU 41 H LEU 41 -2.978 -10.726 4.466 281 HA LEU 41 HA LEU 41 -5.181 -8.869 4.853 282 HB2 LEU 41 HB3 LEU 41 -5.021 -11.368 3.145 283 HB3 LEU 41 HB2 LEU 41 -6.223 -10.088 3.008 284 HG LEU 41 HG LEU 41 -3.240 -9.769 2.585 285 HD11 LEU 41 HD11 LEU 41 -5.123 -10.797 0.852 286 HD12 LEU 41 HD12 LEU 41 -3.622 -10.011 0.361 287 HD13 LEU 41 HD13 LEU 41 -5.120 -9.083 0.431 288 HD21 LEU 41 HD21 LEU 41 -5.531 -7.843 2.785 289 HD22 LEU 41 HD22 LEU 41 -4.220 -7.489 1.658 290 HD23 LEU 41 HD23 LEU 41 -3.878 -7.676 3.378 291 H GLY 42 H GLY 42 -7.288 -9.418 5.632 292 HA2 GLY 42 HA3 GLY 42 -7.463 -11.114 7.863 293 HA3 GLY 42 HA2 GLY 42 -8.863 -10.613 6.911 294 H THR 43 H THR 43 -7.993 -11.841 4.447 295 HA THR 43 HA THR 43 -8.633 -14.658 5.118 296 HB THR 43 HB THR 43 -9.058 -14.866 2.663 297 HG1 THR 43 HG1 THR 43 -7.530 -12.958 2.359 298 HG21 THR 43 HG21 THR 43 -10.712 -12.563 3.032 299 HG22 THR 43 HG22 THR 43 -10.532 -13.369 4.592 300 HG23 THR 43 HG23 THR 43 -11.152 -14.263 3.203 301 H TYR 44 H TYR 44 -7.294 -14.801 2.158 302 HA TYR 44 HA TYR 44 -4.601 -15.477 3.273 303 HB2 TYR 44 HB3 TYR 44 -5.981 -16.504 0.771 304 HB3 TYR 44 HB2 TYR 44 -4.381 -16.992 1.332 305 HD1 TYR 44 HD2 TYR 44 -4.161 -18.111 3.601 306 HD2 TYR 44 HD1 TYR 44 -7.948 -17.483 1.674 307 HE1 TYR 44 HE2 TYR 44 -5.196 -19.812 5.081 308 HE2 TYR 44 HE1 TYR 44 -8.983 -19.184 3.152 309 HH TYR 44 HH TYR 44 -7.555 -21.420 4.660 310 H GLY 45 H GLY 45 -2.941 -14.202 2.609 311 HA2 GLY 45 HA3 GLY 45 -2.019 -13.317 0.295 312 HA3 GLY 45 HA2 GLY 45 -3.454 -12.296 0.386 313 H ASN 46 H ASN 46 -1.501 -10.686 0.315 314 HA ASN 46 HA ASN 46 -0.984 -9.874 3.117 315 HB2 ASN 46 HB3 ASN 46 1.021 -11.118 2.227 316 HB3 ASN 46 HB2 ASN 46 1.174 -9.866 0.994 317 HD21 ASN 46 HD22 ASN 46 3.110 -10.432 3.173 318 HD22 ASN 46 HD21 ASN 46 3.214 -9.012 4.096 319 H GLY 47 H GLY 47 -0.713 -7.586 3.357 320 HA2 GLY 47 HA3 GLY 47 -1.066 -5.963 0.889 321 HA3 GLY 47 HA2 GLY 47 -2.217 -5.755 2.209 322 H CYS 48 H CYS 48 -0.715 -3.575 1.420 323 HA CYS 48 HA CYS 48 1.480 -3.372 3.409 324 HB2 CYS 48 HB3 CYS 48 0.831 -1.983 0.857 325 HB3 CYS 48 HB2 CYS 48 1.659 -1.046 2.099 326 H TRP 49 H TRP 49 1.488 -1.637 4.929 327 HA TRP 49 HA TRP 49 -1.167 -0.325 5.327 328 HB2 TRP 49 HB3 TRP 49 -0.276 -2.174 6.984 329 HB3 TRP 49 HB2 TRP 49 0.739 -0.864 7.583 330 HD1 TRP 49 HD1 TRP 49 -0.403 1.087 8.889 331 HE1 TRP 49 HE1 TRP 49 -2.768 1.410 9.866 332 HE3 TRP 49 HE3 TRP 49 -2.834 -2.757 6.579 333 HZ2 TRP 49 HZ2 TRP 49 -5.353 0.191 9.689 334 HZ3 TRP 49 HZ3 TRP 49 -5.242 -3.157 6.999 335 HH2 TRP 49 HH2 TRP 49 -6.504 -1.692 8.550 336 H CYS 50 H CYS 50 -1.014 1.874 5.084 337 HA CYS 50 HA CYS 50 1.632 3.148 5.688 338 HB2 CYS 50 HB3 CYS 50 -0.410 3.733 3.556 339 HB3 CYS 50 HB2 CYS 50 0.739 4.963 4.075 340 H ILE 51 H ILE 51 1.623 4.685 7.256 341 HA ILE 51 HA ILE 51 -1.006 5.843 8.062 342 HB ILE 51 HB ILE 51 1.239 4.918 9.872 343 HG12 ILE 51 HG13 ILE 51 -1.588 3.956 10.031 344 HG13 ILE 51 HG12 ILE 51 -0.582 3.335 8.724 345 HG21 ILE 51 HG21 ILE 51 -0.511 5.516 11.653 346 HG22 ILE 51 HG22 ILE 51 -1.328 6.431 10.387 347 HG23 ILE 51 HG23 ILE 51 0.308 6.870 10.874 348 HD11 ILE 51 HD11 ILE 51 0.964 2.362 10.207 349 HD12 ILE 51 HD12 ILE 51 -0.589 2.048 10.981 350 HD13 ILE 51 HD13 ILE 51 0.433 3.364 11.559 351 H ALA 52 H ALA 52 -0.990 8.004 8.696 352 HA ALA 52 HA ALA 52 1.262 9.590 9.322 353 HB1 ALA 52 HB1 ALA 52 0.605 9.423 6.381 354 HB2 ALA 52 HB2 ALA 52 2.186 9.312 7.160 355 HB3 ALA 52 HB3 ALA 52 1.353 10.863 7.072 356 H LEU 53 H LEU 53 -1.956 9.251 8.075 357 HA LEU 53 HA LEU 53 -2.745 11.723 9.466 358 HB2 LEU 53 HB3 LEU 53 -2.151 12.462 7.165 359 HB3 LEU 53 HB2 LEU 53 -3.306 11.302 6.511 360 HG LEU 53 HG LEU 53 -5.035 12.526 8.042 361 HD11 LEU 53 HD11 LEU 53 -2.811 13.908 8.854 362 HD12 LEU 53 HD12 LEU 53 -4.456 14.526 8.977 363 HD13 LEU 53 HD13 LEU 53 -3.446 14.978 7.605 364 HD21 LEU 53 HD21 LEU 53 -5.590 12.917 5.871 365 HD22 LEU 53 HD22 LEU 53 -3.915 13.205 5.399 366 HD23 LEU 53 HD23 LEU 53 -4.854 14.497 6.146 367 HA PRO 54 HA PRO 54 -6.098 9.035 10.750 368 HB2 PRO 54 HB2 PRO 54 -7.708 11.505 10.193 369 HB3 PRO 54 HB3 PRO 54 -7.761 10.422 11.597 370 HG2 PRO 54 HG3 PRO 54 -6.492 12.789 11.648 371 HG3 PRO 54 HG2 PRO 54 -5.949 11.389 12.585 372 HD2 PRO 54 HD3 PRO 54 -4.670 12.656 10.264 373 HD3 PRO 54 HD2 PRO 54 -3.986 11.508 11.430 374 H ASP 55 H ASP 55 -8.017 8.030 9.795 375 HA ASP 55 HA ASP 55 -7.896 7.962 6.880 376 HB2 ASP 55 HB3 ASP 55 -8.311 5.930 8.276 377 HB3 ASP 55 HB2 ASP 55 -9.871 6.609 8.741 378 H ASN 56 H ASN 56 -8.925 9.440 5.663 379 HA ASN 56 HA ASN 56 -11.711 10.160 6.310 380 HB2 ASN 56 HB3 ASN 56 -9.544 12.240 5.875 381 HB3 ASN 56 HB2 ASN 56 -11.267 12.575 6.045 382 HD21 ASN 56 HD22 ASN 56 -8.755 13.155 7.830 383 HD22 ASN 56 HD21 ASN 56 -9.259 12.655 9.371 384 H VAL 57 H VAL 57 -8.967 10.682 4.114 385 HA VAL 57 HA VAL 57 -10.839 10.272 1.829 386 HB VAL 57 HB VAL 57 -8.488 12.184 1.833 387 HG11 VAL 57 HG11 VAL 57 -9.817 10.973 -0.264 388 HG12 VAL 57 HG12 VAL 57 -8.928 12.492 -0.370 389 HG13 VAL 57 HG13 VAL 57 -10.671 12.508 -0.105 390 HG21 VAL 57 HG21 VAL 57 -11.444 12.634 2.299 391 HG22 VAL 57 HG22 VAL 57 -10.374 13.923 1.746 392 HG23 VAL 57 HG23 VAL 57 -10.094 13.154 3.309 393 HA PRO 58 HA PRO 58 -7.160 7.440 1.685 394 HB2 PRO 58 HB2 PRO 58 -8.496 5.084 1.690 395 HB3 PRO 58 HB3 PRO 58 -8.139 5.972 3.182 396 HG2 PRO 58 HG3 PRO 58 -10.683 5.787 1.657 397 HG3 PRO 58 HG2 PRO 58 -10.413 5.834 3.408 398 HD2 PRO 58 HD3 PRO 58 -11.189 8.021 1.870 399 HD3 PRO 58 HD2 PRO 58 -10.416 8.129 3.466 400 H ILE 59 H ILE 59 -9.429 5.324 0.202 401 HA ILE 59 HA ILE 59 -8.668 6.320 -2.498 402 HB ILE 59 HB ILE 59 -8.932 3.671 -2.969 403 HG12 ILE 59 HG13 ILE 59 -7.671 2.478 -1.159 404 HG13 ILE 59 HG12 ILE 59 -7.810 3.916 -0.153 405 HG21 ILE 59 HG21 ILE 59 -6.539 5.309 -2.146 406 HG22 ILE 59 HG22 ILE 59 -7.032 4.815 -3.766 407 HG23 ILE 59 HG23 ILE 59 -6.363 3.627 -2.648 408 HD11 ILE 59 HD11 ILE 59 -10.261 2.656 -1.371 409 HD12 ILE 59 HD12 ILE 59 -10.146 3.695 0.050 410 HD13 ILE 59 HD13 ILE 59 -9.581 2.027 0.129 411 H ARG 60 H ARG 60 -10.405 6.712 -3.747 412 HA ARG 60 HA ARG 60 -13.081 6.313 -2.843 413 HB2 ARG 60 HB3 ARG 60 -12.032 6.745 -5.655 414 HB3 ARG 60 HB2 ARG 60 -13.713 6.938 -5.154 415 HG2 ARG 60 HG3 ARG 60 -13.290 9.023 -4.426 416 HG3 ARG 60 HG2 ARG 60 -12.026 8.414 -3.356 417 HD2 ARG 60 HD3 ARG 60 -10.397 8.494 -5.169 418 HD3 ARG 60 HD2 ARG 60 -11.649 8.993 -6.307 419 HE ARG 60 HE ARG 60 -10.308 10.718 -4.377 420 HH11 ARG 60 HH22 ARG 60 -13.163 10.094 -6.208 421 HH12 ARG 60 HH21 ARG 60 -13.673 11.749 -6.226 422 HH21 ARG 60 HH11 ARG 60 -10.958 12.882 -4.390 423 HH22 ARG 60 HH12 ARG 60 -12.425 13.328 -5.196 424 H ILE 61 H ILE 61 -10.948 4.375 -4.868 425 HA ILE 61 HA ILE 61 -12.889 2.548 -5.866 426 HB ILE 61 HB ILE 61 -9.969 2.047 -5.202 427 HG12 ILE 61 HG13 ILE 61 -10.657 2.505 -7.995 428 HG13 ILE 61 HG12 ILE 61 -11.080 3.889 -6.987 429 HG21 ILE 61 HG21 ILE 61 -10.072 0.237 -6.773 430 HG22 ILE 61 HG22 ILE 61 -11.695 0.693 -7.287 431 HG23 ILE 61 HG23 ILE 61 -11.435 0.022 -5.677 432 HD11 ILE 61 HD11 ILE 61 -8.373 2.523 -7.047 433 HD12 ILE 61 HD12 ILE 61 -8.800 3.915 -6.052 434 HD13 ILE 61 HD13 ILE 61 -8.757 4.068 -7.808 435 HA PRO 62 HA PRO 62 -13.966 0.486 -2.041 436 HB2 PRO 62 HB2 PRO 62 -14.805 -1.936 -3.108 437 HB3 PRO 62 HB3 PRO 62 -15.807 -0.480 -2.980 438 HG2 PRO 62 HG3 PRO 62 -14.375 -1.593 -5.322 439 HG3 PRO 62 HG2 PRO 62 -15.920 -0.729 -5.240 440 HD2 PRO 62 HD3 PRO 62 -13.619 0.442 -6.109 441 HD3 PRO 62 HD2 PRO 62 -14.916 1.352 -5.307 442 H GLY 63 H GLY 63 -11.383 -0.370 -3.980 443 HA2 GLY 63 HA3 GLY 63 -9.380 -1.381 -3.095 444 HA3 GLY 63 HA2 GLY 63 -10.366 -2.203 -1.886 445 H LYS 64 H LYS 64 -11.775 -2.330 -4.963 446 HA LYS 64 HA LYS 64 -11.648 -5.160 -5.143 447 HB2 LYS 64 HB3 LYS 64 -12.527 -4.896 -7.395 448 HB3 LYS 64 HB2 LYS 64 -13.295 -3.702 -6.348 449 HG2 LYS 64 HG3 LYS 64 -11.598 -2.021 -7.105 450 HG3 LYS 64 HG2 LYS 64 -10.979 -3.216 -8.244 451 HD2 LYS 64 HD3 LYS 64 -13.352 -3.390 -9.160 452 HD3 LYS 64 HD2 LYS 64 -13.729 -1.959 -8.199 453 HE2 LYS 64 HE3 LYS 64 -13.084 -0.883 -10.119 454 HE3 LYS 64 HE2 LYS 64 -11.484 -1.085 -9.407 455 HZ1 LYS 64 HZ1 LYS 64 -12.779 -2.859 -11.404 456 HZ2 LYS 64 HZ2 LYS 64 -11.308 -3.204 -10.633 457 HZ3 LYS 64 HZ3 LYS 64 -11.433 -1.852 -11.654 458 H CYS 65 H CYS 65 -9.484 -2.663 -6.361 459 HA CYS 65 HA CYS 65 -7.377 -2.825 -7.380 460 HB2 CYS 65 HB3 CYS 65 -7.406 -5.586 -6.121 461 HB3 CYS 65 HB2 CYS 65 -5.981 -4.702 -6.668 462 H HIS 66 H HIS 66 -9.968 -4.638 -8.355 463 HA HIS 66 HA HIS 66 -8.533 -6.208 -10.401 464 HB2 HIS 66 HB3 HIS 66 -11.501 -5.850 -9.879 465 HB3 HIS 66 HB2 HIS 66 -10.803 -6.966 -11.051 466 HD1 HIS 66 HD1 HIS 66 -11.446 -6.523 -7.415 467 HD2 HIS 66 HD2 HIS 66 -9.345 -9.172 -9.860 468 HE1 HIS 66 HE1 HIS 66 -10.864 -8.523 -5.972 469 HE2 HIS 66 HE2 HIS 66 -9.586 -10.141 -7.449 Start of MODEL 17 1 H1 ALA 1 H1 ALA 1 -8.445 9.256 4.283 2 H2 ALA 1 H2 ALA 1 -7.902 8.403 5.648 3 H3 ALA 1 H3 ALA 1 -7.462 7.888 4.090 4 HA ALA 1 HA ALA 1 -6.388 10.186 3.857 5 HB1 ALA 1 HB1 ALA 1 -6.815 9.901 6.835 6 HB2 ALA 1 HB2 ALA 1 -7.242 11.268 5.805 7 HB3 ALA 1 HB3 ALA 1 -5.548 10.926 6.160 8 H ARG 2 H ARG 2 -6.278 7.068 5.116 9 HA ARG 2 HA ARG 2 -3.327 7.016 4.715 10 HB2 ARG 2 HB3 ARG 2 -3.037 5.609 6.685 11 HB3 ARG 2 HB2 ARG 2 -3.855 7.094 7.166 12 HG2 ARG 2 HG3 ARG 2 -6.049 5.855 6.885 13 HG3 ARG 2 HG2 ARG 2 -5.105 4.377 6.698 14 HD2 ARG 2 HD3 ARG 2 -4.037 4.830 8.912 15 HD3 ARG 2 HD2 ARG 2 -5.107 6.219 9.106 16 HE ARG 2 HE ARG 2 -5.861 3.424 9.429 17 HH11 ARG 2 HH22 ARG 2 -6.865 6.610 8.578 18 HH12 ARG 2 HH21 ARG 2 -8.524 6.343 8.997 19 HH21 ARG 2 HH11 ARG 2 -8.022 3.056 9.982 20 HH22 ARG 2 HH12 ARG 2 -9.180 4.331 9.792 21 H ASP 3 H ASP 3 -2.579 4.667 4.430 22 HA ASP 3 HA ASP 3 -4.552 3.255 2.723 23 HB2 ASP 3 HB3 ASP 3 -1.577 2.824 3.140 24 HB3 ASP 3 HB2 ASP 3 -2.580 1.900 2.023 25 H ALA 4 H ALA 4 -5.147 1.072 3.153 26 HA ALA 4 HA ALA 4 -4.573 0.192 5.943 27 HB1 ALA 4 HB1 ALA 4 -6.693 -1.318 5.238 28 HB2 ALA 4 HB2 ALA 4 -6.971 0.078 4.197 29 HB3 ALA 4 HB3 ALA 4 -6.860 0.290 5.944 30 H TYR 5 H TYR 5 -5.852 -1.752 3.280 31 HA TYR 5 HA TYR 5 -3.660 -3.696 3.795 32 HB2 TYR 5 HB3 TYR 5 -6.150 -4.073 2.110 33 HB3 TYR 5 HB2 TYR 5 -5.083 -5.330 2.737 34 HD1 TYR 5 HD2 TYR 5 -5.099 -5.940 5.109 35 HD2 TYR 5 HD1 TYR 5 -7.721 -2.904 3.565 36 HE1 TYR 5 HE2 TYR 5 -6.437 -6.036 7.195 37 HE2 TYR 5 HE1 TYR 5 -9.060 -3.004 5.652 38 HH TYR 5 HH TYR 5 -7.986 -4.792 8.443 39 H ILE 6 H ILE 6 -4.021 -1.130 1.852 40 HA ILE 6 HA ILE 6 -2.751 -2.473 -0.492 41 HB ILE 6 HB ILE 6 -3.622 -0.643 -1.864 42 HG12 ILE 6 HG13 ILE 6 -4.932 0.346 0.689 43 HG13 ILE 6 HG12 ILE 6 -3.539 1.108 -0.080 44 HG21 ILE 6 HG21 ILE 6 -5.035 -2.722 -1.044 45 HG22 ILE 6 HG22 ILE 6 -5.806 -1.433 -1.968 46 HG23 ILE 6 HG23 ILE 6 -5.980 -1.485 -0.215 47 HD11 ILE 6 HD11 ILE 6 -4.965 1.247 -2.198 48 HD12 ILE 6 HD12 ILE 6 -5.429 2.316 -0.875 49 HD13 ILE 6 HD13 ILE 6 -6.341 0.838 -1.175 50 H ALA 7 H ALA 7 -1.089 -1.218 -1.598 51 HA ALA 7 HA ALA 7 0.288 0.737 0.189 52 HB1 ALA 7 HB1 ALA 7 2.367 -0.236 -0.264 53 HB2 ALA 7 HB2 ALA 7 1.791 -1.008 -1.742 54 HB3 ALA 7 HB3 ALA 7 1.321 -1.653 -0.168 55 H LYS 8 H LYS 8 -0.905 -0.063 -2.940 56 HA LYS 8 HA LYS 8 0.184 2.505 -3.998 57 HB2 LYS 8 HB3 LYS 8 -0.539 0.517 -6.027 58 HB3 LYS 8 HB2 LYS 8 0.931 1.480 -5.878 59 HG2 LYS 8 HG3 LYS 8 1.568 -0.104 -3.948 60 HG3 LYS 8 HG2 LYS 8 0.285 -1.154 -4.550 61 HD2 LYS 8 HD3 LYS 8 2.514 -0.104 -6.310 62 HD3 LYS 8 HD2 LYS 8 2.605 -1.648 -5.464 63 HE2 LYS 8 HE3 LYS 8 0.457 -2.314 -6.580 64 HE3 LYS 8 HE2 LYS 8 0.543 -0.830 -7.527 65 HZ1 LYS 8 HZ1 LYS 8 1.497 -2.867 -8.604 66 HZ2 LYS 8 HZ2 LYS 8 2.738 -2.817 -7.450 67 HZ3 LYS 8 HZ3 LYS 8 2.538 -1.527 -8.536 68 HA PRO 9 HA PRO 9 -4.038 3.512 -4.821 69 HB2 PRO 9 HB2 PRO 9 -3.868 5.055 -7.051 70 HB3 PRO 9 HB3 PRO 9 -3.275 5.590 -5.468 71 HG2 PRO 9 HG3 PRO 9 -1.762 4.542 -7.801 72 HG3 PRO 9 HG2 PRO 9 -1.333 5.824 -6.657 73 HD2 PRO 9 HD3 PRO 9 -0.340 3.246 -6.536 74 HD3 PRO 9 HD2 PRO 9 -0.432 4.349 -5.146 75 H HIS 10 H HIS 10 -2.726 3.102 -8.122 76 HA HIS 10 HA HIS 10 -5.106 2.076 -9.238 77 HB2 HIS 10 HB3 HIS 10 -2.250 1.492 -10.074 78 HB3 HIS 10 HB2 HIS 10 -3.683 1.249 -11.074 79 HD1 HIS 10 HD1 HIS 10 -5.262 3.757 -10.712 80 HD2 HIS 10 HD2 HIS 10 -1.102 3.825 -11.012 81 HE1 HIS 10 HE1 HIS 10 -4.634 6.098 -11.455 82 HE2 HIS 10 HE2 HIS 10 -2.105 6.150 -11.637 83 H ASN 11 H ASN 11 -2.403 0.338 -7.698 84 HA ASN 11 HA ASN 11 -4.179 -2.063 -7.595 85 HB2 ASN 11 HB3 ASN 11 -1.203 -2.170 -8.144 86 HB3 ASN 11 HB2 ASN 11 -2.341 -3.516 -8.170 87 HD21 ASN 11 HD22 ASN 11 -2.409 -0.210 -9.629 88 HD22 ASN 11 HD21 ASN 11 -2.759 -0.755 -11.198 89 H CYS 12 H CYS 12 -3.161 -3.717 -5.991 90 HA CYS 12 HA CYS 12 -2.295 -2.194 -3.571 91 HB2 CYS 12 HB3 CYS 12 -3.468 -4.982 -3.617 92 HB3 CYS 12 HB2 CYS 12 -3.351 -3.876 -2.250 93 H VAL 13 H VAL 13 -0.911 -3.650 -2.046 94 HA VAL 13 HA VAL 13 1.550 -4.251 -3.229 95 HB VAL 13 HB VAL 13 0.810 -4.176 -0.698 96 HG11 VAL 13 HG11 VAL 13 0.875 -7.165 -1.132 97 HG12 VAL 13 HG12 VAL 13 -0.639 -6.259 -1.085 98 HG13 VAL 13 HG13 VAL 13 0.419 -6.282 0.325 99 HG21 VAL 13 HG21 VAL 13 2.828 -5.900 -0.313 100 HG22 VAL 13 HG22 VAL 13 3.100 -4.282 -0.959 101 HG23 VAL 13 HG23 VAL 13 3.016 -5.665 -2.050 102 H TYR 14 H TYR 14 2.351 -5.995 -4.369 103 HA TYR 14 HA TYR 14 0.483 -7.914 -5.449 104 HB2 TYR 14 HB3 TYR 14 2.308 -8.749 -6.707 105 HB3 TYR 14 HB2 TYR 14 2.668 -7.035 -6.510 106 HD1 TYR 14 HD1 TYR 14 4.276 -6.305 -4.703 107 HD2 TYR 14 HD2 TYR 14 3.721 -10.427 -5.776 108 HE1 TYR 14 HE1 TYR 14 6.419 -6.885 -3.594 109 HE2 TYR 14 HE2 TYR 14 5.862 -11.005 -4.667 110 HH TYR 14 HH TYR 14 7.266 -9.793 -2.641 111 H GLU 15 H GLU 15 3.213 -8.236 -3.168 112 HA GLU 15 HA GLU 15 1.864 -10.091 -1.469 113 HB2 GLU 15 HB3 GLU 15 2.147 -11.592 -3.466 114 HB3 GLU 15 HB2 GLU 15 3.890 -11.381 -3.325 115 HG2 GLU 15 HG3 GLU 15 3.313 -13.429 -2.189 116 HG3 GLU 15 HG2 GLU 15 3.719 -12.235 -0.957 117 H CYS 16 H CYS 16 2.870 -8.739 0.101 118 HA CYS 16 HA CYS 16 5.594 -8.017 0.195 119 HB2 CYS 16 HB3 CYS 16 3.740 -7.218 1.735 120 HB3 CYS 16 HB2 CYS 16 3.921 -8.735 2.617 121 H PHE 17 H PHE 17 7.019 -9.663 -0.353 122 HA PHE 17 HA PHE 17 6.822 -12.323 0.810 123 HB2 PHE 17 HB3 PHE 17 8.758 -12.843 -0.477 124 HB3 PHE 17 HB2 PHE 17 7.826 -11.720 -1.466 125 HD1 PHE 17 HD2 PHE 17 8.436 -9.213 -1.346 126 HD2 PHE 17 HD1 PHE 17 10.972 -12.343 0.152 127 HE1 PHE 17 HE2 PHE 17 10.377 -7.674 -1.409 128 HE2 PHE 17 HE1 PHE 17 12.911 -10.801 0.088 129 HZ PHE 17 HZ PHE 17 12.615 -8.467 -0.694 130 H ASP 18 H ASP 18 8.999 -9.543 1.273 131 HA ASP 18 HA ASP 18 9.510 -10.509 4.020 132 HB2 ASP 18 HB3 ASP 18 11.334 -11.395 2.488 133 HB3 ASP 18 HB2 ASP 18 11.786 -9.715 2.191 134 H ALA 19 H ALA 19 8.563 -8.714 4.967 135 HA ALA 19 HA ALA 19 8.729 -6.055 3.960 136 HB1 ALA 19 HB1 ALA 19 8.580 -6.453 6.910 137 HB2 ALA 19 HB2 ALA 19 7.302 -7.178 5.933 138 HB3 ALA 19 HB3 ALA 19 7.590 -5.439 5.858 139 H PHE 20 H PHE 20 10.988 -7.995 5.771 140 HA PHE 20 HA PHE 20 12.585 -6.027 6.999 141 HB2 PHE 20 HB3 PHE 20 12.959 -8.508 7.157 142 HB3 PHE 20 HB2 PHE 20 13.612 -8.471 5.519 143 HD1 PHE 20 HD1 PHE 20 14.120 -7.306 8.999 144 HD2 PHE 20 HD2 PHE 20 15.801 -7.578 5.056 145 HE1 PHE 20 HE1 PHE 20 16.330 -6.623 9.894 146 HE2 PHE 20 HE2 PHE 20 18.011 -6.895 5.951 147 HZ PHE 20 HZ PHE 20 18.275 -6.418 8.371 148 H SER 21 H SER 21 12.562 -7.156 3.629 149 HA SER 21 HA SER 21 14.718 -5.466 2.741 150 HB2 SER 21 HB3 SER 21 13.960 -5.991 0.502 151 HB3 SER 21 HB2 SER 21 13.783 -7.448 1.475 152 HG SER 21 HG SER 21 11.609 -7.066 1.627 153 H SER 22 H SER 22 11.493 -4.877 3.676 154 HA SER 22 HA SER 22 10.321 -2.855 3.856 155 HB2 SER 22 HB3 SER 22 12.257 -1.195 2.395 156 HB3 SER 22 HB2 SER 22 11.574 -0.974 4.003 157 HG SER 22 HG SER 22 13.390 -1.718 4.728 158 H TYR 23 H TYR 23 9.932 -4.619 1.616 159 HA TYR 23 HA TYR 23 9.927 -3.253 -0.889 160 HB2 TYR 23 HB3 TYR 23 9.514 -5.692 -0.662 161 HB3 TYR 23 HB2 TYR 23 7.957 -5.340 0.091 162 HD1 TYR 23 HD2 TYR 23 6.116 -4.367 -1.197 163 HD2 TYR 23 HD1 TYR 23 9.884 -5.288 -3.042 164 HE1 TYR 23 HE2 TYR 23 5.081 -4.113 -3.436 165 HE2 TYR 23 HE1 TYR 23 8.850 -5.032 -5.282 166 HH TYR 23 HH TYR 23 6.992 -4.081 -6.350 167 H CYS 24 H CYS 24 7.159 -3.799 1.313 168 HA CYS 24 HA CYS 24 5.546 -1.778 0.012 169 HB2 CYS 24 HB3 CYS 24 4.746 -3.774 1.458 170 HB3 CYS 24 HB2 CYS 24 5.117 -2.742 2.840 171 H ASN 25 H ASN 25 7.333 -1.889 3.090 172 HA ASN 25 HA ASN 25 6.784 0.765 3.922 173 HB2 ASN 25 HB3 ASN 25 9.311 -0.863 4.348 174 HB3 ASN 25 HB2 ASN 25 8.847 0.566 5.273 175 HD21 ASN 25 HD22 ASN 25 6.039 -1.124 4.466 176 HD22 ASN 25 HD21 ASN 25 5.857 -2.015 5.899 177 H GLY 26 H GLY 26 9.256 -0.544 1.761 178 HA2 GLY 26 HA3 GLY 26 10.739 1.868 1.384 179 HA3 GLY 26 HA2 GLY 26 10.668 0.538 0.226 180 H VAL 27 H VAL 27 7.857 0.569 -0.242 181 HA VAL 27 HA VAL 27 7.681 2.559 -2.281 182 HB VAL 27 HB VAL 27 5.524 0.939 -0.899 183 HG11 VAL 27 HG11 VAL 27 4.172 2.519 -1.857 184 HG12 VAL 27 HG12 VAL 27 4.484 1.580 -3.318 185 HG13 VAL 27 HG13 VAL 27 5.416 3.042 -2.993 186 HG21 VAL 27 HG21 VAL 27 6.210 0.436 -3.715 187 HG22 VAL 27 HG22 VAL 27 6.014 -0.707 -2.386 188 HG23 VAL 27 HG23 VAL 27 7.547 0.140 -2.603 189 H CYS 28 H CYS 28 6.388 2.458 1.029 190 HA CYS 28 HA CYS 28 4.902 4.886 0.898 191 HB2 CYS 28 HB3 CYS 28 6.232 3.409 3.167 192 HB3 CYS 28 HB2 CYS 28 5.371 4.924 3.436 193 H THR 29 H THR 29 8.306 4.268 1.716 194 HA THR 29 HA THR 29 9.005 6.908 2.490 195 HB THR 29 HB THR 29 10.738 4.956 0.943 196 HG1 THR 29 HG1 THR 29 9.575 4.363 3.052 197 HG21 THR 29 HG21 THR 29 12.410 6.417 1.298 198 HG22 THR 29 HG22 THR 29 12.028 6.503 3.018 199 HG23 THR 29 HG23 THR 29 11.211 7.573 1.879 200 H LYS 30 H LYS 30 9.216 5.369 -0.716 201 HA LYS 30 HA LYS 30 9.981 7.781 -2.091 202 HB2 LYS 30 HB3 LYS 30 8.730 5.193 -3.052 203 HB3 LYS 30 HB2 LYS 30 9.276 6.475 -4.135 204 HG2 LYS 30 HG3 LYS 30 11.469 5.970 -3.827 205 HG3 LYS 30 HG2 LYS 30 11.256 5.702 -2.097 206 HD2 LYS 30 HD3 LYS 30 10.560 3.476 -2.399 207 HD3 LYS 30 HD2 LYS 30 10.182 3.730 -4.106 208 HE2 LYS 30 HE3 LYS 30 12.530 3.913 -4.664 209 HE3 LYS 30 HE2 LYS 30 12.983 3.894 -2.960 210 HZ1 LYS 30 HZ1 LYS 30 12.928 1.725 -4.511 211 HZ2 LYS 30 HZ2 LYS 30 11.369 1.657 -3.844 212 HZ3 LYS 30 HZ3 LYS 30 12.728 1.683 -2.824 213 H ASN 31 H ASN 31 6.888 6.191 -1.456 214 HA ASN 31 HA ASN 31 5.228 7.855 -3.055 215 HB2 ASN 31 HB3 ASN 31 4.594 5.710 -1.791 216 HB3 ASN 31 HB2 ASN 31 4.424 6.733 -0.365 217 HD21 ASN 31 HD22 ASN 31 2.050 5.850 -0.725 218 HD22 ASN 31 HD21 ASN 31 1.045 6.818 -1.692 219 H GLY 32 H GLY 32 6.681 8.346 0.103 220 HA2 GLY 32 HA3 GLY 32 7.123 10.604 0.916 221 HA3 GLY 32 HA2 GLY 32 5.697 11.157 0.034 222 H ALA 33 H ALA 33 4.839 8.278 1.364 223 HA ALA 33 HA ALA 33 3.071 9.452 3.292 224 HB1 ALA 33 HB1 ALA 33 3.980 6.616 2.784 225 HB2 ALA 33 HB2 ALA 33 2.419 7.344 2.407 226 HB3 ALA 33 HB3 ALA 33 2.857 7.014 4.083 227 H LYS 34 H LYS 34 3.204 9.415 5.595 228 HA LYS 34 HA LYS 34 5.733 10.015 6.719 229 HB2 LYS 34 HB3 LYS 34 3.524 10.617 7.723 230 HB3 LYS 34 HB2 LYS 34 3.310 8.926 8.175 231 HG2 LYS 34 HG3 LYS 34 5.842 9.491 9.142 232 HG3 LYS 34 HG2 LYS 34 4.974 10.998 9.425 233 HD2 LYS 34 HD3 LYS 34 3.938 8.269 10.246 234 HD3 LYS 34 HD2 LYS 34 4.796 9.368 11.326 235 HE2 LYS 34 HE3 LYS 34 2.258 10.096 9.837 236 HE3 LYS 34 HE2 LYS 34 2.302 9.551 11.514 237 HZ1 LYS 34 HZ1 LYS 34 2.686 12.128 10.559 238 HZ2 LYS 34 HZ2 LYS 34 4.193 11.604 11.132 239 HZ3 LYS 34 HZ3 LYS 34 2.841 11.580 12.160 240 H SER 35 H SER 35 3.853 6.965 6.950 241 HA SER 35 HA SER 35 6.430 5.545 7.337 242 HB2 SER 35 HB3 SER 35 4.043 5.229 9.180 243 HB3 SER 35 HB2 SER 35 5.521 4.271 9.244 244 HG SER 35 HG SER 35 6.171 6.853 9.205 245 H GLY 36 H GLY 36 6.169 3.167 7.076 246 HA2 GLY 36 HA3 GLY 36 3.704 2.362 5.640 247 HA3 GLY 36 HA2 GLY 36 5.240 2.182 4.803 248 H TYR 37 H TYR 37 3.060 0.392 6.360 249 HA TYR 37 HA TYR 37 5.137 -1.446 7.487 250 HB2 TYR 37 HB3 TYR 37 2.319 -1.019 8.512 251 HB3 TYR 37 HB2 TYR 37 3.496 -2.152 9.174 252 HD1 TYR 37 HD2 TYR 37 5.520 -1.335 10.335 253 HD2 TYR 37 HD1 TYR 37 2.497 1.364 8.911 254 HE1 TYR 37 HE2 TYR 37 6.471 0.471 11.743 255 HE2 TYR 37 HE1 TYR 37 3.447 3.170 10.320 256 HH TYR 37 HH TYR 37 6.413 3.169 11.555 257 H CYS 38 H CYS 38 5.030 -3.531 6.745 258 HA CYS 38 HA CYS 38 2.757 -4.185 4.917 259 HB2 CYS 38 HB3 CYS 38 4.336 -4.803 3.447 260 HB3 CYS 38 HB2 CYS 38 5.598 -4.403 4.612 261 H GLN 39 H GLN 39 1.456 -5.831 5.477 262 HA GLN 39 HA GLN 39 2.432 -7.831 7.464 263 HB2 GLN 39 HB3 GLN 39 -0.386 -6.754 7.516 264 HB3 GLN 39 HB2 GLN 39 0.466 -7.655 8.770 265 HG2 GLN 39 HG3 GLN 39 0.659 -5.512 9.624 266 HG3 GLN 39 HG2 GLN 39 2.131 -5.594 8.657 267 HE21 GLN 39 HE22 GLN 39 -1.220 -5.205 7.421 268 HE22 GLN 39 HE21 GLN 39 -0.946 -3.683 6.722 269 H ILE 40 H ILE 40 0.901 -9.800 7.450 270 HA ILE 40 HA ILE 40 0.202 -10.352 4.615 271 HB ILE 40 HB ILE 40 0.318 -12.698 5.200 272 HG12 ILE 40 HG13 ILE 40 0.611 -11.715 8.059 273 HG13 ILE 40 HG12 ILE 40 -0.759 -12.608 7.400 274 HG21 ILE 40 HG21 ILE 40 2.568 -12.629 5.143 275 HG22 ILE 40 HG22 ILE 40 2.642 -12.005 6.792 276 HG23 ILE 40 HG23 ILE 40 2.458 -10.893 5.435 277 HD11 ILE 40 HD11 ILE 40 0.664 -14.178 8.569 278 HD12 ILE 40 HD12 ILE 40 2.082 -13.612 7.688 279 HD13 ILE 40 HD13 ILE 40 0.808 -14.485 6.838 280 H LEU 41 H LEU 41 -1.879 -10.652 3.989 281 HA LEU 41 HA LEU 41 -4.043 -9.893 5.700 282 HB2 LEU 41 HB3 LEU 41 -4.052 -9.755 3.185 283 HB3 LEU 41 HB2 LEU 41 -4.211 -11.508 3.140 284 HG LEU 41 HG LEU 41 -6.276 -11.272 4.576 285 HD11 LEU 41 HD11 LEU 41 -5.395 -8.495 4.502 286 HD12 LEU 41 HD12 LEU 41 -6.600 -9.258 5.538 287 HD13 LEU 41 HD13 LEU 41 -7.059 -8.663 3.943 288 HD21 LEU 41 HD21 LEU 41 -7.170 -11.571 2.525 289 HD22 LEU 41 HD22 LEU 41 -5.901 -10.609 1.768 290 HD23 LEU 41 HD23 LEU 41 -7.332 -9.817 2.428 291 H GLY 42 H GLY 42 -2.594 -12.983 4.908 292 HA2 GLY 42 HA3 GLY 42 -2.792 -14.872 6.452 293 HA3 GLY 42 HA2 GLY 42 -4.391 -14.274 6.911 294 H THR 43 H THR 43 -4.307 -13.740 3.742 295 HA THR 43 HA THR 43 -5.256 -16.467 2.995 296 HB THR 43 HB THR 43 -7.090 -15.531 1.785 297 HG1 THR 43 HG1 THR 43 -6.767 -13.685 0.877 298 HG21 THR 43 HG21 THR 43 -7.241 -13.619 4.039 299 HG22 THR 43 HG22 THR 43 -6.917 -15.295 4.488 300 HG23 THR 43 HG23 THR 43 -8.365 -14.892 3.564 301 H TYR 44 H TYR 44 -5.342 -16.556 0.442 302 HA TYR 44 HA TYR 44 -2.790 -16.419 -0.619 303 HB2 TYR 44 HB3 TYR 44 -3.762 -16.591 -2.786 304 HB3 TYR 44 HB2 TYR 44 -4.927 -17.354 -1.703 305 HD1 TYR 44 HD2 TYR 44 -6.965 -16.108 -0.975 306 HD2 TYR 44 HD1 TYR 44 -4.278 -14.549 -3.941 307 HE1 TYR 44 HE2 TYR 44 -8.699 -14.486 -1.691 308 HE2 TYR 44 HE1 TYR 44 -6.010 -12.925 -4.657 309 HH TYR 44 HH TYR 44 -8.698 -12.923 -4.513 310 H GLY 45 H GLY 45 -4.923 -13.767 0.039 311 HA2 GLY 45 HA3 GLY 45 -3.433 -11.893 -1.681 312 HA3 GLY 45 HA2 GLY 45 -4.799 -11.483 -0.642 313 H ASN 46 H ASN 46 -3.084 -9.656 -0.255 314 HA ASN 46 HA ASN 46 -1.619 -10.379 2.227 315 HB2 ASN 46 HB3 ASN 46 -0.117 -10.215 0.111 316 HB3 ASN 46 HB2 ASN 46 -0.416 -8.480 0.220 317 HD21 ASN 46 HD22 ASN 46 0.915 -7.326 1.646 318 HD22 ASN 46 HD21 ASN 46 1.890 -8.034 2.839 319 H GLY 47 H GLY 47 -0.988 -8.245 3.417 320 HA2 GLY 47 HA3 GLY 47 -2.915 -6.062 2.793 321 HA3 GLY 47 HA2 GLY 47 -2.945 -6.779 4.402 322 H CYS 48 H CYS 48 -1.893 -4.136 2.878 323 HA CYS 48 HA CYS 48 0.372 -3.793 4.781 324 HB2 CYS 48 HB3 CYS 48 1.272 -4.276 2.493 325 HB3 CYS 48 HB2 CYS 48 0.393 -2.871 1.889 326 H TRP 49 H TRP 49 0.106 -1.898 5.948 327 HA TRP 49 HA TRP 49 -1.823 0.089 4.822 328 HB2 TRP 49 HB3 TRP 49 -2.451 0.706 7.062 329 HB3 TRP 49 HB2 TRP 49 -2.557 -1.043 6.946 330 HD1 TRP 49 HD1 TRP 49 0.050 1.601 8.077 331 HE1 TRP 49 HE1 TRP 49 1.307 0.640 10.110 332 HE3 TRP 49 HE3 TRP 49 -2.132 -3.005 8.369 333 HZ2 TRP 49 HZ2 TRP 49 1.376 -1.763 11.661 334 HZ3 TRP 49 HZ3 TRP 49 -1.459 -4.607 10.133 335 HH2 TRP 49 HH2 TRP 49 0.291 -3.992 11.781 336 H CYS 50 H CYS 50 -1.243 2.223 4.756 337 HA CYS 50 HA CYS 50 1.515 2.896 5.692 338 HB2 CYS 50 HB3 CYS 50 1.095 2.650 3.123 339 HB3 CYS 50 HB2 CYS 50 0.240 4.183 3.284 340 H ILE 51 H ILE 51 1.767 5.125 6.387 341 HA ILE 51 HA ILE 51 -0.832 6.366 7.172 342 HB ILE 51 HB ILE 51 1.903 6.848 8.386 343 HG12 ILE 51 HG13 ILE 51 1.362 4.535 8.799 344 HG13 ILE 51 HG12 ILE 51 0.979 5.422 10.274 345 HG21 ILE 51 HG21 ILE 51 -0.353 8.371 8.557 346 HG22 ILE 51 HG22 ILE 51 0.858 8.263 9.835 347 HG23 ILE 51 HG23 ILE 51 -0.596 7.268 9.912 348 HD11 ILE 51 HD11 ILE 51 -1.408 5.629 9.258 349 HD12 ILE 51 HD12 ILE 51 -0.927 4.083 9.955 350 HD13 ILE 51 HD13 ILE 51 -0.905 4.306 8.207 351 H ALA 52 H ALA 52 -1.334 8.275 6.205 352 HA ALA 52 HA ALA 52 0.614 10.303 5.600 353 HB1 ALA 52 HB1 ALA 52 0.755 10.158 3.229 354 HB2 ALA 52 HB2 ALA 52 -0.528 8.950 3.152 355 HB3 ALA 52 HB3 ALA 52 1.049 8.521 3.811 356 H LEU 53 H LEU 53 -1.244 10.706 3.037 357 HA LEU 53 HA LEU 53 -3.550 11.867 4.556 358 HB2 LEU 53 HB3 LEU 53 -3.147 13.417 2.242 359 HB3 LEU 53 HB2 LEU 53 -2.823 13.901 3.908 360 HG LEU 53 HG LEU 53 -0.865 12.344 2.209 361 HD11 LEU 53 HD11 LEU 53 -0.435 14.257 1.103 362 HD12 LEU 53 HD12 LEU 53 0.066 14.974 2.634 363 HD13 LEU 53 HD13 LEU 53 -1.604 15.137 2.090 364 HD21 LEU 53 HD21 LEU 53 -0.997 13.059 4.981 365 HD22 LEU 53 HD22 LEU 53 0.322 13.966 4.241 366 HD23 LEU 53 HD23 LEU 53 0.296 12.206 4.138 367 HA PRO 54 HA PRO 54 -6.222 9.992 1.601 368 HB2 PRO 54 HB2 PRO 54 -7.994 12.009 0.984 369 HB3 PRO 54 HB3 PRO 54 -8.046 11.054 2.477 370 HG2 PRO 54 HG3 PRO 54 -7.025 13.797 2.018 371 HG3 PRO 54 HG2 PRO 54 -7.825 13.108 3.439 372 HD2 PRO 54 HD3 PRO 54 -5.118 13.551 3.284 373 HD3 PRO 54 HD2 PRO 54 -5.851 12.321 4.329 374 H ASP 55 H ASP 55 -4.992 13.155 0.595 375 HA ASP 55 HA ASP 55 -5.650 13.028 -2.158 376 HB2 ASP 55 HB3 ASP 55 -4.615 14.998 -0.943 377 HB3 ASP 55 HB2 ASP 55 -3.072 14.147 -1.022 378 H ASN 56 H ASN 56 -3.082 11.505 -0.309 379 HA ASN 56 HA ASN 56 -1.931 10.325 -2.769 380 HB2 ASN 56 HB3 ASN 56 -0.517 11.326 -0.881 381 HB3 ASN 56 HB2 ASN 56 -0.989 9.920 0.074 382 HD21 ASN 56 HD22 ASN 56 1.681 10.022 -0.354 383 HD22 ASN 56 HD21 ASN 56 2.172 8.949 -1.574 384 H VAL 57 H VAL 57 -2.707 8.372 -3.416 385 HA VAL 57 HA VAL 57 -3.699 6.248 -3.326 386 HB VAL 57 HB VAL 57 -2.734 6.151 -0.463 387 HG11 VAL 57 HG11 VAL 57 -2.373 3.750 -1.094 388 HG12 VAL 57 HG12 VAL 57 -3.109 4.092 -2.659 389 HG13 VAL 57 HG13 VAL 57 -4.063 4.246 -1.184 390 HG21 VAL 57 HG21 VAL 57 -0.681 6.652 -1.305 391 HG22 VAL 57 HG22 VAL 57 -1.207 6.407 -2.970 392 HG23 VAL 57 HG23 VAL 57 -0.734 5.025 -1.983 393 HA PRO 58 HA PRO 58 -7.224 8.000 -0.807 394 HB2 PRO 58 HB2 PRO 58 -8.873 8.643 -2.857 395 HB3 PRO 58 HB3 PRO 58 -7.593 9.737 -2.294 396 HG2 PRO 58 HG3 PRO 58 -7.643 7.942 -4.665 397 HG3 PRO 58 HG2 PRO 58 -6.973 9.574 -4.496 398 HD2 PRO 58 HD3 PRO 58 -5.457 7.255 -4.413 399 HD3 PRO 58 HD2 PRO 58 -4.963 8.801 -3.688 400 H ILE 59 H ILE 59 -6.534 5.248 -2.280 401 HA ILE 59 HA ILE 59 -7.638 3.199 -2.597 402 HB ILE 59 HB ILE 59 -9.600 4.515 -0.689 403 HG12 ILE 59 HG13 ILE 59 -7.550 2.404 -0.028 404 HG13 ILE 59 HG12 ILE 59 -7.109 4.113 -0.032 405 HG21 ILE 59 HG21 ILE 59 -9.630 1.966 -2.107 406 HG22 ILE 59 HG22 ILE 59 -10.897 2.726 -1.145 407 HG23 ILE 59 HG23 ILE 59 -9.660 1.747 -0.357 408 HD11 ILE 59 HD11 ILE 59 -8.884 4.596 1.588 409 HD12 ILE 59 HD12 ILE 59 -7.815 3.346 2.221 410 HD13 ILE 59 HD13 ILE 59 -9.390 2.907 1.561 411 H ARG 60 H ARG 60 -8.018 4.821 -4.729 412 HA ARG 60 HA ARG 60 -10.712 5.523 -5.349 413 HB2 ARG 60 HB3 ARG 60 -9.978 5.626 -7.661 414 HB3 ARG 60 HB2 ARG 60 -8.685 6.256 -6.638 415 HG2 ARG 60 HG3 ARG 60 -7.650 3.958 -6.664 416 HG3 ARG 60 HG2 ARG 60 -8.858 3.489 -7.861 417 HD2 ARG 60 HD3 ARG 60 -6.836 5.729 -8.165 418 HD3 ARG 60 HD2 ARG 60 -6.777 4.165 -8.974 419 HE ARG 60 HE ARG 60 -8.570 4.861 -10.395 420 HH11 ARG 60 HH22 ARG 60 -7.818 7.128 -7.897 421 HH12 ARG 60 HH21 ARG 60 -8.731 8.412 -8.612 422 HH21 ARG 60 HH11 ARG 60 -9.763 6.530 -11.332 423 HH22 ARG 60 HH12 ARG 60 -9.832 8.075 -10.552 424 H ILE 61 H ILE 61 -8.900 2.513 -5.803 425 HA ILE 61 HA ILE 61 -11.062 1.184 -7.212 426 HB ILE 61 HB ILE 61 -9.621 -0.895 -6.393 427 HG12 ILE 61 HG13 ILE 61 -7.490 1.219 -6.297 428 HG13 ILE 61 HG12 ILE 61 -8.396 0.848 -4.830 429 HG21 ILE 61 HG21 ILE 61 -9.596 -0.448 -8.686 430 HG22 ILE 61 HG22 ILE 61 -7.910 -0.162 -8.251 431 HG23 ILE 61 HG23 ILE 61 -9.012 1.200 -8.459 432 HD11 ILE 61 HD11 ILE 61 -7.571 -1.314 -4.698 433 HD12 ILE 61 HD12 ILE 61 -6.188 -0.493 -5.425 434 HD13 ILE 61 HD13 ILE 61 -7.292 -1.425 -6.437 435 HA PRO 62 HA PRO 62 -13.670 -0.045 -3.877 436 HB2 PRO 62 HB2 PRO 62 -14.111 -2.720 -4.556 437 HB3 PRO 62 HB3 PRO 62 -15.011 -1.334 -5.199 438 HG2 PRO 62 HG3 PRO 62 -12.793 -2.879 -6.416 439 HG3 PRO 62 HG2 PRO 62 -14.193 -2.109 -7.181 440 HD2 PRO 62 HD3 PRO 62 -11.705 -1.026 -7.306 441 HD3 PRO 62 HD2 PRO 62 -13.174 -0.025 -7.269 442 H GLY 63 H GLY 63 -10.644 -1.531 -4.404 443 HA2 GLY 63 HA3 GLY 63 -9.194 -2.150 -2.569 444 HA3 GLY 63 HA2 GLY 63 -10.625 -2.492 -1.597 445 H LYS 64 H LYS 64 -11.162 -3.712 -4.639 446 HA LYS 64 HA LYS 64 -11.171 -6.428 -3.829 447 HB2 LYS 64 HB3 LYS 64 -12.375 -5.522 -5.825 448 HB3 LYS 64 HB2 LYS 64 -10.823 -5.368 -6.650 449 HG2 LYS 64 HG3 LYS 64 -10.444 -7.778 -6.455 450 HG3 LYS 64 HG2 LYS 64 -11.946 -7.961 -5.549 451 HD2 LYS 64 HD3 LYS 64 -12.388 -8.566 -7.852 452 HD3 LYS 64 HD2 LYS 64 -13.176 -7.021 -7.533 453 HE2 LYS 64 HE3 LYS 64 -11.589 -5.810 -8.760 454 HE3 LYS 64 HE2 LYS 64 -10.375 -7.082 -8.629 455 HZ1 LYS 64 HZ1 LYS 64 -11.939 -8.477 -9.998 456 HZ2 LYS 64 HZ2 LYS 64 -11.193 -7.189 -10.811 457 HZ3 LYS 64 HZ3 LYS 64 -12.811 -7.053 -10.312 458 H CYS 65 H CYS 65 -8.652 -4.483 -5.374 459 HA CYS 65 HA CYS 65 -6.387 -4.949 -5.774 460 HB2 CYS 65 HB3 CYS 65 -6.842 -6.873 -3.472 461 HB3 CYS 65 HB2 CYS 65 -5.271 -6.325 -4.056 462 H HIS 66 H HIS 66 -7.229 -8.219 -4.670 463 HA HIS 66 HA HIS 66 -7.566 -9.327 -7.305 464 HB2 HIS 66 HB3 HIS 66 -5.129 -8.758 -7.398 465 HB3 HIS 66 HB2 HIS 66 -4.866 -9.820 -6.015 466 HD1 HIS 66 HD1 HIS 66 -6.526 -10.083 -9.451 467 HD2 HIS 66 HD2 HIS 66 -4.271 -12.392 -6.808 468 HE1 HIS 66 HE1 HIS 66 -6.126 -12.307 -10.602 469 HE2 HIS 66 HE2 HIS 66 -4.755 -13.719 -9.002 Start of MODEL 18 1 H1 ALA 1 H1 ALA 1 -3.351 10.158 3.189 2 H2 ALA 1 H2 ALA 1 -4.651 11.245 3.067 3 H3 ALA 1 H3 ALA 1 -4.270 10.223 1.764 4 HA ALA 1 HA ALA 1 -5.896 9.717 4.061 5 HB1 ALA 1 HB1 ALA 1 -5.451 8.684 1.293 6 HB2 ALA 1 HB2 ALA 1 -6.947 9.205 2.069 7 HB3 ALA 1 HB3 ALA 1 -6.266 7.620 2.438 8 H ARG 2 H ARG 2 -5.973 6.957 4.136 9 HA ARG 2 HA ARG 2 -3.237 6.203 5.085 10 HB2 ARG 2 HB3 ARG 2 -4.716 6.710 6.999 11 HB3 ARG 2 HB2 ARG 2 -5.887 5.534 6.401 12 HG2 ARG 2 HG3 ARG 2 -4.241 3.734 6.640 13 HG3 ARG 2 HG2 ARG 2 -3.025 4.894 7.173 14 HD2 ARG 2 HD3 ARG 2 -3.964 3.840 9.140 15 HD3 ARG 2 HD2 ARG 2 -4.542 5.504 9.083 16 HE ARG 2 HE ARG 2 -6.404 3.764 7.749 17 HH11 ARG 2 HH22 ARG 2 -5.180 4.714 10.829 18 HH12 ARG 2 HH21 ARG 2 -6.650 4.358 11.672 19 HH21 ARG 2 HH11 ARG 2 -8.332 3.294 8.833 20 HH22 ARG 2 HH12 ARG 2 -8.434 3.554 10.541 21 H ASP 3 H ASP 3 -2.557 4.178 4.447 22 HA ASP 3 HA ASP 3 -4.389 2.659 2.677 23 HB2 ASP 3 HB3 ASP 3 -1.416 2.350 3.191 24 HB3 ASP 3 HB2 ASP 3 -2.351 1.439 2.009 25 H ALA 4 H ALA 4 -4.952 0.496 3.131 26 HA ALA 4 HA ALA 4 -4.354 -0.385 5.915 27 HB1 ALA 4 HB1 ALA 4 -6.637 -0.413 5.915 28 HB2 ALA 4 HB2 ALA 4 -6.402 -1.984 5.148 29 HB3 ALA 4 HB3 ALA 4 -6.733 -0.560 4.160 30 H TYR 5 H TYR 5 -5.529 -2.363 3.229 31 HA TYR 5 HA TYR 5 -3.248 -4.209 3.724 32 HB2 TYR 5 HB3 TYR 5 -5.760 -4.670 2.089 33 HB3 TYR 5 HB2 TYR 5 -4.593 -5.890 2.594 34 HD1 TYR 5 HD1 TYR 5 -4.284 -6.356 5.067 35 HD2 TYR 5 HD2 TYR 5 -7.503 -3.957 3.540 36 HE1 TYR 5 HE1 TYR 5 -5.514 -6.649 7.199 37 HE2 TYR 5 HE2 TYR 5 -8.733 -4.249 5.673 38 HH TYR 5 HH TYR 5 -8.701 -6.106 7.570 39 H ILE 6 H ILE 6 -3.537 -1.630 1.908 40 HA ILE 6 HA ILE 6 -2.236 -2.887 -0.466 41 HB ILE 6 HB ILE 6 -3.257 -1.166 -1.874 42 HG12 ILE 6 HG13 ILE 6 -4.641 -0.258 0.670 43 HG13 ILE 6 HG12 ILE 6 -3.354 0.624 -0.149 44 HG21 ILE 6 HG21 ILE 6 -4.538 -3.331 -0.784 45 HG22 ILE 6 HG22 ILE 6 -5.200 -2.330 -2.076 46 HG23 ILE 6 HG23 ILE 6 -5.662 -2.027 -0.402 47 HD11 ILE 6 HD11 ILE 6 -5.291 1.641 -0.995 48 HD12 ILE 6 HD12 ILE 6 -6.169 0.114 -1.078 49 HD13 ILE 6 HD13 ILE 6 -4.893 0.461 -2.244 50 H ALA 7 H ALA 7 -0.791 -1.297 -1.636 51 HA ALA 7 HA ALA 7 0.464 0.611 0.293 52 HB1 ALA 7 HB1 ALA 7 2.434 -0.444 -0.012 53 HB2 ALA 7 HB2 ALA 7 2.313 -0.183 -1.751 54 HB3 ALA 7 HB3 ALA 7 1.624 -1.634 -1.028 55 H LYS 8 H LYS 8 -1.323 0.352 -2.445 56 HA LYS 8 HA LYS 8 -0.151 2.820 -3.641 57 HB2 LYS 8 HB3 LYS 8 -1.996 1.424 -5.394 58 HB3 LYS 8 HB2 LYS 8 -0.322 1.884 -5.689 59 HG2 LYS 8 HG3 LYS 8 -1.093 -0.554 -4.058 60 HG3 LYS 8 HG2 LYS 8 -0.779 -0.607 -5.787 61 HD2 LYS 8 HD3 LYS 8 1.256 0.727 -4.059 62 HD3 LYS 8 HD2 LYS 8 1.177 -1.036 -4.037 63 HE2 LYS 8 HE3 LYS 8 1.553 -1.173 -6.395 64 HE3 LYS 8 HE2 LYS 8 1.290 0.559 -6.605 65 HZ1 LYS 8 HZ1 LYS 8 3.286 1.044 -5.468 66 HZ2 LYS 8 HZ2 LYS 8 3.667 -0.170 -6.588 67 HZ3 LYS 8 HZ3 LYS 8 3.477 -0.561 -4.945 68 HA PRO 9 HA PRO 9 -4.066 4.741 -2.931 69 HB2 PRO 9 HB2 PRO 9 -4.385 6.375 -5.069 70 HB3 PRO 9 HB3 PRO 9 -3.123 6.639 -3.850 71 HG2 PRO 9 HG3 PRO 9 -2.909 5.500 -6.580 72 HG3 PRO 9 HG2 PRO 9 -1.769 6.516 -5.684 73 HD2 PRO 9 HD3 PRO 9 -1.558 3.750 -5.975 74 HD3 PRO 9 HD2 PRO 9 -0.738 4.713 -4.728 75 H HIS 10 H HIS 10 -4.067 4.058 -6.457 76 HA HIS 10 HA HIS 10 -6.886 3.136 -6.170 77 HB2 HIS 10 HB3 HIS 10 -5.321 3.981 -8.627 78 HB3 HIS 10 HB2 HIS 10 -7.005 3.454 -8.633 79 HD1 HIS 10 HD1 HIS 10 -4.791 6.296 -7.550 80 HD2 HIS 10 HD2 HIS 10 -8.854 5.353 -7.605 81 HE1 HIS 10 HE1 HIS 10 -6.032 8.435 -6.998 82 HE2 HIS 10 HE2 HIS 10 -8.505 7.873 -7.027 83 H ASN 11 H ASN 11 -3.801 1.882 -6.343 84 HA ASN 11 HA ASN 11 -4.775 -0.604 -7.699 85 HB2 ASN 11 HB3 ASN 11 -1.936 0.428 -7.441 86 HB3 ASN 11 HB2 ASN 11 -2.423 -1.058 -8.259 87 HD21 ASN 11 HD22 ASN 11 -2.274 2.435 -8.545 88 HD22 ASN 11 HD21 ASN 11 -2.867 2.522 -10.134 89 H CYS 12 H CYS 12 -3.378 -2.572 -6.867 90 HA CYS 12 HA CYS 12 -3.107 -2.358 -3.893 91 HB2 CYS 12 HB3 CYS 12 -4.071 -4.644 -3.746 92 HB3 CYS 12 HB2 CYS 12 -5.214 -3.491 -4.434 93 H VAL 13 H VAL 13 -2.017 -4.605 -3.149 94 HA VAL 13 HA VAL 13 0.445 -4.847 -4.815 95 HB VAL 13 HB VAL 13 -0.020 -5.644 -1.923 96 HG11 VAL 13 HG11 VAL 13 2.460 -5.510 -3.663 97 HG12 VAL 13 HG12 VAL 13 1.754 -6.954 -2.936 98 HG13 VAL 13 HG13 VAL 13 2.494 -5.722 -1.913 99 HG21 VAL 13 HG21 VAL 13 1.870 -3.520 -2.282 100 HG22 VAL 13 HG22 VAL 13 0.342 -3.484 -1.403 101 HG23 VAL 13 HG23 VAL 13 0.380 -3.082 -3.119 102 H TYR 14 H TYR 14 1.012 -6.815 -5.680 103 HA TYR 14 HA TYR 14 -0.969 -8.882 -5.886 104 HB2 TYR 14 HB3 TYR 14 0.658 -10.092 -7.162 105 HB3 TYR 14 HB2 TYR 14 0.908 -8.387 -7.537 106 HD1 TYR 14 HD1 TYR 14 2.783 -7.129 -6.469 107 HD2 TYR 14 HD2 TYR 14 2.322 -11.373 -5.995 108 HE1 TYR 14 HE1 TYR 14 5.130 -7.295 -5.685 109 HE2 TYR 14 HE2 TYR 14 4.669 -11.540 -5.211 110 HH TYR 14 HH TYR 14 6.907 -9.019 -5.567 111 H GLU 15 H GLU 15 1.965 -8.544 -3.913 112 HA GLU 15 HA GLU 15 0.918 -10.166 -1.795 113 HB2 GLU 15 HB3 GLU 15 1.377 -11.959 -3.516 114 HB3 GLU 15 HB2 GLU 15 3.082 -11.515 -3.435 115 HG2 GLU 15 HG3 GLU 15 3.050 -11.966 -0.985 116 HG3 GLU 15 HG2 GLU 15 1.378 -12.510 -1.134 117 H CYS 16 H CYS 16 1.777 -8.580 -0.421 118 HA CYS 16 HA CYS 16 4.474 -7.579 -0.689 119 HB2 CYS 16 HB3 CYS 16 2.902 -6.214 0.504 120 HB3 CYS 16 HB2 CYS 16 2.488 -7.533 1.598 121 H PHE 17 H PHE 17 6.354 -8.297 0.351 122 HA PHE 17 HA PHE 17 6.092 -10.879 1.844 123 HB2 PHE 17 HB3 PHE 17 7.882 -11.760 0.690 124 HB3 PHE 17 HB2 PHE 17 7.249 -10.685 -0.553 125 HD1 PHE 17 HD2 PHE 17 8.166 -8.216 -0.510 126 HD2 PHE 17 HD1 PHE 17 10.119 -11.568 1.337 127 HE1 PHE 17 HE2 PHE 17 10.315 -6.979 -0.525 128 HE2 PHE 17 HE1 PHE 17 12.266 -10.327 1.319 129 HZ PHE 17 HZ PHE 17 12.362 -8.033 0.387 130 H ASP 18 H ASP 18 8.939 -10.864 2.512 131 HA ASP 18 HA ASP 18 8.833 -9.492 4.998 132 HB2 ASP 18 HB3 ASP 18 11.224 -10.442 3.394 133 HB3 ASP 18 HB2 ASP 18 11.308 -9.888 5.065 134 H ALA 19 H ALA 19 9.625 -7.483 5.647 135 HA ALA 19 HA ALA 19 9.857 -5.471 3.534 136 HB1 ALA 19 HB1 ALA 19 9.944 -3.862 5.375 137 HB2 ALA 19 HB2 ALA 19 10.151 -5.174 6.537 138 HB3 ALA 19 HB3 ALA 19 8.635 -5.012 5.649 139 H PHE 20 H PHE 20 12.037 -7.640 4.466 140 HA PHE 20 HA PHE 20 14.338 -6.279 5.340 141 HB2 PHE 20 HB3 PHE 20 14.169 -8.759 4.958 142 HB3 PHE 20 HB2 PHE 20 14.282 -8.455 3.224 143 HD1 PHE 20 HD2 PHE 20 16.075 -8.205 6.456 144 HD2 PHE 20 HD1 PHE 20 16.367 -7.838 2.186 145 HE1 PHE 20 HE2 PHE 20 18.547 -8.101 6.635 146 HE2 PHE 20 HE1 PHE 20 18.838 -7.734 2.365 147 HZ PHE 20 HZ PHE 20 19.928 -7.865 4.588 148 H SER 21 H SER 21 13.038 -6.604 2.047 149 HA SER 21 HA SER 21 15.133 -4.837 0.972 150 HB2 SER 21 HB3 SER 21 14.157 -5.274 -1.177 151 HB3 SER 21 HB2 SER 21 14.147 -6.804 -0.306 152 HG SER 21 HG SER 21 12.127 -6.035 -1.409 153 H SER 22 H SER 22 12.568 -4.288 2.837 154 HA SER 22 HA SER 22 11.089 -2.500 3.167 155 HB2 SER 22 HB3 SER 22 12.066 -0.263 2.394 156 HB3 SER 22 HB2 SER 22 13.052 -1.199 3.511 157 HG SER 22 HG SER 22 14.516 -1.274 2.018 158 H TYR 23 H TYR 23 10.586 -4.117 0.810 159 HA TYR 23 HA TYR 23 10.072 -2.534 -1.508 160 HB2 TYR 23 HB3 TYR 23 10.018 -4.987 -1.563 161 HB3 TYR 23 HB2 TYR 23 8.614 -4.996 -0.493 162 HD1 TYR 23 HD2 TYR 23 9.833 -4.250 -3.891 163 HD2 TYR 23 HD1 TYR 23 6.419 -4.288 -1.284 164 HE1 TYR 23 HE2 TYR 23 8.334 -3.987 -5.851 165 HE2 TYR 23 HE1 TYR 23 4.919 -4.027 -3.244 166 HH TYR 23 HH TYR 23 4.853 -4.247 -5.548 167 H CYS 24 H CYS 24 7.877 -3.496 1.139 168 HA CYS 24 HA CYS 24 5.696 -1.851 0.212 169 HB2 CYS 24 HB3 CYS 24 5.520 -3.814 1.808 170 HB3 CYS 24 HB2 CYS 24 6.204 -2.770 3.052 171 H ASN 25 H ASN 25 7.941 -1.457 2.957 172 HA ASN 25 HA ASN 25 7.182 1.200 3.608 173 HB2 ASN 25 HB3 ASN 25 9.915 -0.095 3.880 174 HB3 ASN 25 HB2 ASN 25 9.367 1.345 4.741 175 HD21 ASN 25 HD22 ASN 25 6.812 -0.882 4.287 176 HD22 ASN 25 HD21 ASN 25 6.846 -1.596 5.827 177 H GLY 26 H GLY 26 9.421 -0.100 1.220 178 HA2 GLY 26 HA3 GLY 26 10.736 2.294 0.465 179 HA3 GLY 26 HA2 GLY 26 10.447 0.932 -0.622 180 H VAL 27 H VAL 27 7.629 0.913 -0.630 181 HA VAL 27 HA VAL 27 7.061 2.936 -2.570 182 HB VAL 27 HB VAL 27 5.217 1.225 -0.877 183 HG11 VAL 27 HG11 VAL 27 3.679 1.882 -2.957 184 HG12 VAL 27 HG12 VAL 27 4.683 3.332 -2.930 185 HG13 VAL 27 HG13 VAL 27 3.738 2.885 -1.508 186 HG21 VAL 27 HG21 VAL 27 4.928 0.130 -3.194 187 HG22 VAL 27 HG22 VAL 27 6.456 -0.156 -2.363 188 HG23 VAL 27 HG23 VAL 27 6.369 1.030 -3.665 189 H CYS 28 H CYS 28 6.183 2.653 0.869 190 HA CYS 28 HA CYS 28 4.905 5.250 0.983 191 HB2 CYS 28 HB3 CYS 28 6.017 3.431 3.141 192 HB3 CYS 28 HB2 CYS 28 5.150 4.927 3.481 193 H THR 29 H THR 29 8.188 4.125 1.204 194 HA THR 29 HA THR 29 9.363 6.281 2.645 195 HB THR 29 HB THR 29 10.600 4.648 0.412 196 HG1 THR 29 HG1 THR 29 11.393 3.502 2.365 197 HG21 THR 29 HG21 THR 29 11.581 6.747 2.179 198 HG22 THR 29 HG22 THR 29 12.360 6.005 0.781 199 HG23 THR 29 HG23 THR 29 12.492 5.249 2.370 200 H LYS 30 H LYS 30 8.409 6.034 -0.741 201 HA LYS 30 HA LYS 30 9.896 8.135 -1.855 202 HB2 LYS 30 HB3 LYS 30 7.120 7.105 -2.394 203 HB3 LYS 30 HB2 LYS 30 7.742 8.497 -3.279 204 HG2 LYS 30 HG3 LYS 30 8.241 6.514 -4.569 205 HG3 LYS 30 HG2 LYS 30 9.755 7.116 -3.893 206 HD2 LYS 30 HD3 LYS 30 9.737 5.459 -2.158 207 HD3 LYS 30 HD2 LYS 30 8.087 4.976 -2.554 208 HE2 LYS 30 HE3 LYS 30 8.781 3.613 -4.217 209 HE3 LYS 30 HE2 LYS 30 9.882 4.833 -4.857 210 HZ1 LYS 30 HZ1 LYS 30 11.219 4.215 -2.711 211 HZ2 LYS 30 HZ2 LYS 30 11.363 3.286 -4.123 212 HZ3 LYS 30 HZ3 LYS 30 10.367 2.751 -2.854 213 H ASN 31 H ASN 31 7.054 8.310 0.229 214 HA ASN 31 HA ASN 31 6.388 11.038 -0.137 215 HB2 ASN 31 HB3 ASN 31 5.187 9.270 1.294 216 HB3 ASN 31 HB2 ASN 31 6.364 9.667 2.549 217 HD21 ASN 31 HD22 ASN 31 5.600 11.228 3.968 218 HD22 ASN 31 HD21 ASN 31 4.531 12.483 3.561 219 H GLY 32 H GLY 32 8.961 9.527 1.750 220 HA2 GLY 32 HA3 GLY 32 11.040 10.696 2.212 221 HA3 GLY 32 HA2 GLY 32 10.163 12.224 2.119 222 H ALA 33 H ALA 33 8.280 10.047 3.790 223 HA ALA 33 HA ALA 33 9.484 10.064 6.394 224 HB1 ALA 33 HB1 ALA 33 8.042 11.759 7.470 225 HB2 ALA 33 HB2 ALA 33 7.395 12.202 5.891 226 HB3 ALA 33 HB3 ALA 33 9.096 12.490 6.259 227 H LYS 34 H LYS 34 6.672 9.853 4.341 228 HA LYS 34 HA LYS 34 4.721 8.868 6.099 229 HB2 LYS 34 HB3 LYS 34 4.415 9.295 3.649 230 HB3 LYS 34 HB2 LYS 34 5.314 7.816 3.318 231 HG2 LYS 34 HG3 LYS 34 3.643 6.495 4.509 232 HG3 LYS 34 HG2 LYS 34 2.760 7.960 4.931 233 HD2 LYS 34 HD3 LYS 34 2.750 8.405 2.361 234 HD3 LYS 34 HD2 LYS 34 3.109 6.686 2.230 235 HE2 LYS 34 HE3 LYS 34 1.047 6.686 4.047 236 HE3 LYS 34 HE2 LYS 34 0.602 8.032 3.000 237 HZ1 LYS 34 HZ1 LYS 34 0.412 6.691 1.184 238 HZ2 LYS 34 HZ2 LYS 34 -0.070 5.604 2.392 239 HZ3 LYS 34 HZ3 LYS 34 1.507 5.532 1.766 240 H SER 35 H SER 35 4.487 6.951 7.219 241 HA SER 35 HA SER 35 6.618 4.900 6.778 242 HB2 SER 35 HB3 SER 35 5.143 5.567 9.339 243 HB3 SER 35 HB2 SER 35 6.394 4.340 9.161 244 HG SER 35 HG SER 35 6.583 7.099 9.287 245 H GLY 36 H GLY 36 5.939 2.763 6.541 246 HA2 GLY 36 HA3 GLY 36 3.086 2.165 7.043 247 HA3 GLY 36 HA2 GLY 36 3.712 1.889 5.418 248 H TYR 37 H TYR 37 2.620 -0.117 7.150 249 HA TYR 37 HA TYR 37 5.025 -1.865 7.455 250 HB2 TYR 37 HB3 TYR 37 2.594 -1.955 9.261 251 HB3 TYR 37 HB2 TYR 37 4.117 -2.819 9.469 252 HD1 TYR 37 HD1 TYR 37 6.233 -1.502 9.928 253 HD2 TYR 37 HD2 TYR 37 2.324 0.273 10.034 254 HE1 TYR 37 HE1 TYR 37 7.140 0.418 11.211 255 HE2 TYR 37 HE2 TYR 37 3.228 2.192 11.318 256 HH TYR 37 HH TYR 37 5.006 2.975 12.443 257 H CYS 38 H CYS 38 4.574 -4.135 7.001 258 HA CYS 38 HA CYS 38 2.201 -4.456 5.240 259 HB2 CYS 38 HB3 CYS 38 4.920 -5.585 5.319 260 HB3 CYS 38 HB2 CYS 38 3.657 -6.770 4.982 261 H GLN 39 H GLN 39 0.491 -5.585 5.959 262 HA GLN 39 HA GLN 39 0.859 -7.340 8.352 263 HB2 GLN 39 HB3 GLN 39 -1.591 -5.854 7.354 264 HB3 GLN 39 HB2 GLN 39 -1.603 -6.993 8.701 265 HG2 GLN 39 HG3 GLN 39 0.087 -5.613 9.871 266 HG3 GLN 39 HG2 GLN 39 0.055 -4.460 8.537 267 HE21 GLN 39 HE22 GLN 39 -0.899 -4.345 11.511 268 HE22 GLN 39 HE21 GLN 39 -2.467 -3.708 11.389 269 H ILE 40 H ILE 40 -1.602 -8.706 8.116 270 HA ILE 40 HA ILE 40 -1.101 -10.303 5.636 271 HB ILE 40 HB ILE 40 -1.863 -12.253 6.853 272 HG12 ILE 40 HG13 ILE 40 -2.337 -10.341 9.168 273 HG13 ILE 40 HG12 ILE 40 -3.597 -11.145 8.232 274 HG21 ILE 40 HG21 ILE 40 -0.029 -12.489 8.339 275 HG22 ILE 40 HG22 ILE 40 -0.041 -10.775 8.757 276 HG23 ILE 40 HG23 ILE 40 0.514 -11.291 7.164 277 HD11 ILE 40 HD11 ILE 40 -3.407 -12.598 10.033 278 HD12 ILE 40 HD12 ILE 40 -1.674 -12.318 10.207 279 HD13 ILE 40 HD13 ILE 40 -2.276 -13.330 8.894 280 H LEU 41 H LEU 41 -3.008 -11.268 4.635 281 HA LEU 41 HA LEU 41 -5.307 -9.449 4.733 282 HB2 LEU 41 HB3 LEU 41 -4.827 -11.904 3.022 283 HB3 LEU 41 HB2 LEU 41 -6.068 -10.682 2.772 284 HG LEU 41 HG LEU 41 -3.076 -10.234 2.655 285 HD11 LEU 41 HD11 LEU 41 -4.675 -9.499 0.334 286 HD12 LEU 41 HD12 LEU 41 -4.844 -11.212 0.722 287 HD13 LEU 41 HD13 LEU 41 -3.245 -10.528 0.423 288 HD21 LEU 41 HD21 LEU 41 -5.442 -8.383 2.661 289 HD22 LEU 41 HD22 LEU 41 -4.019 -7.958 1.710 290 HD23 LEU 41 HD23 LEU 41 -3.878 -8.191 3.453 291 H GLY 42 H GLY 42 -7.424 -10.100 5.332 292 HA2 GLY 42 HA3 GLY 42 -7.722 -11.903 7.468 293 HA3 GLY 42 HA2 GLY 42 -9.054 -11.408 6.420 294 H THR 43 H THR 43 -7.828 -12.483 3.997 295 HA THR 43 HA THR 43 -8.468 -15.342 4.460 296 HB THR 43 HB THR 43 -8.661 -15.452 1.987 297 HG1 THR 43 HG1 THR 43 -8.231 -12.657 2.063 298 HG21 THR 43 HG21 THR 43 -10.166 -13.059 3.066 299 HG22 THR 43 HG22 THR 43 -10.576 -14.724 3.477 300 HG23 THR 43 HG23 THR 43 -10.688 -14.175 1.805 301 H TYR 44 H TYR 44 -6.812 -15.273 1.655 302 HA TYR 44 HA TYR 44 -4.234 -15.958 3.015 303 HB2 TYR 44 HB3 TYR 44 -5.300 -16.905 0.336 304 HB3 TYR 44 HB2 TYR 44 -3.793 -17.422 1.093 305 HD1 TYR 44 HD1 TYR 44 -3.841 -18.735 3.217 306 HD2 TYR 44 HD2 TYR 44 -7.422 -17.777 1.047 307 HE1 TYR 44 HE1 TYR 44 -5.075 -20.472 4.486 308 HE2 TYR 44 HE2 TYR 44 -8.656 -19.513 2.316 309 HH TYR 44 HH TYR 44 -8.443 -21.267 3.714 310 H GLY 45 H GLY 45 -2.457 -14.760 2.459 311 HA2 GLY 45 HA3 GLY 45 -1.326 -13.732 0.359 312 HA3 GLY 45 HA2 GLY 45 -2.798 -12.766 0.262 313 H ASN 46 H ASN 46 -1.221 -10.930 0.494 314 HA ASN 46 HA ASN 46 -0.864 -10.306 3.372 315 HB2 ASN 46 HB3 ASN 46 1.298 -11.147 2.104 316 HB3 ASN 46 HB2 ASN 46 1.298 -9.507 1.455 317 HD21 ASN 46 HD22 ASN 46 1.489 -7.705 3.026 318 HD22 ASN 46 HD21 ASN 46 2.125 -7.985 4.575 319 H GLY 47 H GLY 47 -0.457 -7.892 3.657 320 HA2 GLY 47 HA3 GLY 47 -1.491 -6.286 1.372 321 HA3 GLY 47 HA2 GLY 47 -2.305 -6.165 2.932 322 H CYS 48 H CYS 48 -1.093 -3.933 1.711 323 HA CYS 48 HA CYS 48 1.368 -3.513 3.338 324 HB2 CYS 48 HB3 CYS 48 0.469 -2.578 0.693 325 HB3 CYS 48 HB2 CYS 48 1.197 -1.327 1.698 326 H TRP 49 H TRP 49 1.345 -1.974 4.941 327 HA TRP 49 HA TRP 49 -1.191 -0.438 5.298 328 HB2 TRP 49 HB3 TRP 49 -0.277 -2.205 7.037 329 HB3 TRP 49 HB2 TRP 49 0.800 -0.888 7.500 330 HD1 TRP 49 HD1 TRP 49 -0.306 1.315 8.520 331 HE1 TRP 49 HE1 TRP 49 -2.593 1.714 9.642 332 HE3 TRP 49 HE3 TRP 49 -2.757 -2.907 7.038 333 HZ2 TRP 49 HZ2 TRP 49 -5.133 0.406 9.879 334 HZ3 TRP 49 HZ3 TRP 49 -5.103 -3.311 7.723 335 HH2 TRP 49 HH2 TRP 49 -6.292 -1.662 9.141 336 H CYS 50 H CYS 50 -0.964 1.740 4.928 337 HA CYS 50 HA CYS 50 1.717 2.956 5.467 338 HB2 CYS 50 HB3 CYS 50 0.857 2.669 2.966 339 HB3 CYS 50 HB2 CYS 50 -0.033 4.140 3.365 340 H ILE 51 H ILE 51 1.661 4.659 6.839 341 HA ILE 51 HA ILE 51 -0.996 5.906 7.389 342 HB ILE 51 HB ILE 51 1.290 5.450 9.322 343 HG12 ILE 51 HG13 ILE 51 -1.324 4.183 9.802 344 HG13 ILE 51 HG12 ILE 51 -0.501 3.587 8.361 345 HG21 ILE 51 HG21 ILE 51 0.265 7.069 10.513 346 HG22 ILE 51 HG22 ILE 51 -1.105 5.971 10.680 347 HG23 ILE 51 HG23 ILE 51 -1.072 7.146 9.366 348 HD11 ILE 51 HD11 ILE 51 0.013 2.448 10.651 349 HD12 ILE 51 HD12 ILE 51 1.001 3.877 10.954 350 HD13 ILE 51 HD13 ILE 51 1.359 2.833 9.577 351 H ALA 52 H ALA 52 -1.095 8.121 7.425 352 HA ALA 52 HA ALA 52 1.190 9.841 7.792 353 HB1 ALA 52 HB1 ALA 52 0.447 10.605 5.178 354 HB2 ALA 52 HB2 ALA 52 0.709 8.864 5.119 355 HB3 ALA 52 HB3 ALA 52 1.993 9.933 5.691 356 H LEU 53 H LEU 53 -1.915 9.683 6.035 357 HA LEU 53 HA LEU 53 -2.757 12.130 7.537 358 HB2 LEU 53 HB3 LEU 53 -2.241 12.594 5.125 359 HB3 LEU 53 HB2 LEU 53 -3.498 11.441 4.682 360 HG LEU 53 HG LEU 53 -5.117 12.804 6.062 361 HD11 LEU 53 HD11 LEU 53 -2.640 14.227 6.639 362 HD12 LEU 53 HD12 LEU 53 -4.206 14.344 7.437 363 HD13 LEU 53 HD13 LEU 53 -3.876 15.310 6.000 364 HD21 LEU 53 HD21 LEU 53 -5.356 13.162 3.769 365 HD22 LEU 53 HD22 LEU 53 -3.728 13.819 3.600 366 HD23 LEU 53 HD23 LEU 53 -4.999 14.792 4.339 367 HA PRO 54 HA PRO 54 -5.609 8.546 8.463 368 HB2 PRO 54 HB2 PRO 54 -5.969 10.285 10.845 369 HB3 PRO 54 HB3 PRO 54 -5.699 8.535 10.756 370 HG2 PRO 54 HG3 PRO 54 -3.780 10.229 11.534 371 HG3 PRO 54 HG2 PRO 54 -3.425 8.756 10.616 372 HD2 PRO 54 HD3 PRO 54 -3.416 11.594 9.696 373 HD3 PRO 54 HD2 PRO 54 -2.442 10.219 9.130 374 H ASP 55 H ASP 55 -7.979 8.711 9.122 375 HA ASP 55 HA ASP 55 -10.115 9.562 8.677 376 HB2 ASP 55 HB3 ASP 55 -9.239 11.347 10.275 377 HB3 ASP 55 HB2 ASP 55 -8.825 12.297 8.849 378 H ASN 56 H ASN 56 -11.307 10.217 6.849 379 HA ASN 56 HA ASN 56 -11.654 10.718 4.583 380 HB2 ASN 56 HB3 ASN 56 -10.294 12.809 5.452 381 HB3 ASN 56 HB2 ASN 56 -8.999 12.107 4.479 382 HD21 ASN 56 HD22 ASN 56 -10.392 14.606 3.853 383 HD22 ASN 56 HD21 ASN 56 -11.184 14.371 2.373 384 H VAL 57 H VAL 57 -10.624 8.242 5.130 385 HA VAL 57 HA VAL 57 -8.417 7.848 3.176 386 HB VAL 57 HB VAL 57 -7.730 6.832 5.150 387 HG11 VAL 57 HG11 VAL 57 -10.632 6.041 5.530 388 HG12 VAL 57 HG12 VAL 57 -9.730 7.243 6.454 389 HG13 VAL 57 HG13 VAL 57 -9.324 5.532 6.599 390 HG21 VAL 57 HG21 VAL 57 -8.108 5.202 3.109 391 HG22 VAL 57 HG22 VAL 57 -9.346 4.503 4.154 392 HG23 VAL 57 HG23 VAL 57 -7.667 4.546 4.686 393 HA PRO 58 HA PRO 58 -11.924 5.984 0.910 394 HB2 PRO 58 HB2 PRO 58 -11.268 6.791 -1.553 395 HB3 PRO 58 HB3 PRO 58 -11.888 7.957 -0.365 396 HG2 PRO 58 HG3 PRO 58 -9.111 7.509 -1.303 397 HG3 PRO 58 HG2 PRO 58 -9.920 9.017 -0.847 398 HD2 PRO 58 HD3 PRO 58 -8.200 7.475 0.794 399 HD3 PRO 58 HD2 PRO 58 -9.244 8.816 1.324 400 H ILE 59 H ILE 59 -11.868 3.850 0.268 401 HA ILE 59 HA ILE 59 -9.400 2.444 0.000 402 HB ILE 59 HB ILE 59 -12.189 1.646 -0.868 403 HG12 ILE 59 HG13 ILE 59 -11.132 0.306 1.448 404 HG13 ILE 59 HG12 ILE 59 -11.011 2.049 1.688 405 HG21 ILE 59 HG21 ILE 59 -10.778 -0.624 -0.244 406 HG22 ILE 59 HG22 ILE 59 -9.543 0.374 -1.012 407 HG23 ILE 59 HG23 ILE 59 -11.028 -0.018 -1.882 408 HD11 ILE 59 HD11 ILE 59 -13.534 0.662 0.748 409 HD12 ILE 59 HD12 ILE 59 -13.365 2.346 1.244 410 HD13 ILE 59 HD13 ILE 59 -13.209 1.057 2.436 411 H ARG 60 H ARG 60 -11.530 3.927 -2.396 412 HA ARG 60 HA ARG 60 -11.252 4.209 -4.720 413 HB2 ARG 60 HB3 ARG 60 -8.338 3.752 -4.002 414 HB3 ARG 60 HB2 ARG 60 -8.934 4.462 -5.498 415 HG2 ARG 60 HG3 ARG 60 -9.886 6.343 -4.271 416 HG3 ARG 60 HG2 ARG 60 -9.399 5.616 -2.736 417 HD2 ARG 60 HD3 ARG 60 -7.031 5.670 -3.504 418 HD3 ARG 60 HD2 ARG 60 -7.552 6.514 -4.963 419 HE ARG 60 HE ARG 60 -8.561 8.081 -2.918 420 HH11 ARG 60 HH22 ARG 60 -5.494 6.734 -3.738 421 HH12 ARG 60 HH21 ARG 60 -4.587 8.025 -3.023 422 HH21 ARG 60 HH11 ARG 60 -7.394 9.775 -1.981 423 HH22 ARG 60 HH12 ARG 60 -5.663 9.747 -2.030 424 H ILE 61 H ILE 61 -10.787 1.361 -3.165 425 HA ILE 61 HA ILE 61 -10.406 -0.118 -5.728 426 HB ILE 61 HB ILE 61 -9.162 -0.582 -3.027 427 HG12 ILE 61 HG13 ILE 61 -7.653 -0.937 -5.531 428 HG13 ILE 61 HG12 ILE 61 -8.258 0.697 -5.261 429 HG21 ILE 61 HG21 ILE 61 -9.667 -2.787 -3.392 430 HG22 ILE 61 HG22 ILE 61 -8.289 -2.689 -4.487 431 HG23 ILE 61 HG23 ILE 61 -9.929 -2.542 -5.119 432 HD11 ILE 61 HD11 ILE 61 -7.243 0.699 -3.008 433 HD12 ILE 61 HD12 ILE 61 -6.027 0.436 -4.258 434 HD13 ILE 61 HD13 ILE 61 -6.612 -0.923 -3.297 435 HA PRO 62 HA PRO 62 -14.256 -1.545 -3.622 436 HB2 PRO 62 HB2 PRO 62 -15.948 -1.192 -5.694 437 HB3 PRO 62 HB3 PRO 62 -15.444 0.158 -4.659 438 HG2 PRO 62 HG3 PRO 62 -14.526 -0.576 -7.389 439 HG3 PRO 62 HG2 PRO 62 -14.785 1.024 -6.674 440 HD2 PRO 62 HD3 PRO 62 -12.306 -0.237 -6.942 441 HD3 PRO 62 HD2 PRO 62 -12.652 1.119 -5.847 442 H GLY 63 H GLY 63 -12.392 -3.393 -4.402 443 HA2 GLY 63 HA3 GLY 63 -12.564 -5.737 -4.879 444 HA3 GLY 63 HA2 GLY 63 -14.055 -5.417 -5.770 445 H LYS 64 H LYS 64 -11.974 -3.067 -6.673 446 HA LYS 64 HA LYS 64 -11.643 -3.965 -9.341 447 HB2 LYS 64 HB3 LYS 64 -11.463 -1.599 -8.609 448 HB3 LYS 64 HB2 LYS 64 -9.941 -1.981 -7.805 449 HG2 LYS 64 HG3 LYS 64 -9.009 -2.722 -9.990 450 HG3 LYS 64 HG2 LYS 64 -10.512 -2.226 -10.770 451 HD2 LYS 64 HD3 LYS 64 -10.162 0.084 -9.906 452 HD3 LYS 64 HD2 LYS 64 -8.613 -0.429 -9.236 453 HE2 LYS 64 HE3 LYS 64 -7.907 -1.125 -11.529 454 HE3 LYS 64 HE2 LYS 64 -9.412 -0.450 -12.156 455 HZ1 LYS 64 HZ1 LYS 64 -8.660 1.630 -11.940 456 HZ2 LYS 64 HZ2 LYS 64 -7.119 0.926 -11.873 457 HZ3 LYS 64 HZ3 LYS 64 -7.929 1.330 -10.436 458 H CYS 65 H CYS 65 -9.463 -4.156 -6.549 459 HA CYS 65 HA CYS 65 -7.183 -5.177 -7.906 460 HB2 CYS 65 HB3 CYS 65 -7.189 -4.386 -5.548 461 HB3 CYS 65 HB2 CYS 65 -8.113 -5.817 -5.091 462 H HIS 66 H HIS 66 -10.118 -6.757 -6.756 463 HA HIS 66 HA HIS 66 -9.299 -9.187 -8.255 464 HB2 HIS 66 HB3 HIS 66 -10.376 -9.240 -5.419 465 HB3 HIS 66 HB2 HIS 66 -10.001 -10.649 -6.411 466 HD1 HIS 66 HD1 HIS 66 -7.372 -10.700 -7.276 467 HD2 HIS 66 HD2 HIS 66 -8.220 -8.387 -3.910 468 HE1 HIS 66 HE1 HIS 66 -5.161 -10.301 -6.105 469 HE2 HIS 66 HE2 HIS 66 -5.666 -8.895 -4.054 Start of MODEL 19 1 H1 ALA 1 H1 ALA 1 -2.521 11.828 3.122 2 H2 ALA 1 H2 ALA 1 -2.943 12.157 1.510 3 H3 ALA 1 H3 ALA 1 -1.670 11.086 1.857 4 HA ALA 1 HA ALA 1 -4.494 10.611 2.635 5 HB1 ALA 1 HB1 ALA 1 -3.214 10.388 0.071 6 HB2 ALA 1 HB2 ALA 1 -4.868 9.966 0.512 7 HB3 ALA 1 HB3 ALA 1 -3.582 8.771 0.668 8 H ARG 2 H ARG 2 -4.744 8.241 3.142 9 HA ARG 2 HA ARG 2 -2.216 7.076 4.239 10 HB2 ARG 2 HB3 ARG 2 -3.689 8.074 6.016 11 HB3 ARG 2 HB2 ARG 2 -4.951 6.935 5.542 12 HG2 ARG 2 HG3 ARG 2 -3.371 5.056 6.001 13 HG3 ARG 2 HG2 ARG 2 -2.193 6.233 6.581 14 HD2 ARG 2 HD3 ARG 2 -3.410 5.308 8.483 15 HD3 ARG 2 HD2 ARG 2 -3.843 7.004 8.278 16 HE ARG 2 HE ARG 2 -5.743 5.559 6.808 17 HH11 ARG 2 HH22 ARG 2 -4.568 5.749 10.044 18 HH12 ARG 2 HH21 ARG 2 -6.083 5.311 10.761 19 HH21 ARG 2 HH11 ARG 2 -7.727 4.985 7.724 20 HH22 ARG 2 HH12 ARG 2 -7.873 4.879 9.446 21 H ASP 3 H ASP 3 -1.965 4.867 3.835 22 HA ASP 3 HA ASP 3 -4.077 3.630 2.142 23 HB2 ASP 3 HB3 ASP 3 -1.206 2.804 2.639 24 HB3 ASP 3 HB2 ASP 3 -2.326 1.979 1.564 25 H ALA 4 H ALA 4 -4.935 1.557 2.678 26 HA ALA 4 HA ALA 4 -4.616 0.849 5.552 27 HB1 ALA 4 HB1 ALA 4 -6.807 -0.331 5.241 28 HB2 ALA 4 HB2 ALA 4 -6.856 0.298 3.595 29 HB3 ALA 4 HB3 ALA 4 -6.895 1.408 4.964 30 H TYR 5 H TYR 5 -5.857 -1.195 2.943 31 HA TYR 5 HA TYR 5 -3.911 -3.284 3.781 32 HB2 TYR 5 HB3 TYR 5 -6.311 -3.522 1.941 33 HB3 TYR 5 HB2 TYR 5 -5.382 -4.849 2.637 34 HD1 TYR 5 HD1 TYR 5 -7.833 -2.185 3.316 35 HD2 TYR 5 HD2 TYR 5 -5.598 -5.444 4.999 36 HE1 TYR 5 HE1 TYR 5 -9.290 -2.149 5.321 37 HE2 TYR 5 HE2 TYR 5 -7.056 -5.407 7.006 38 HH TYR 5 HH TYR 5 -8.517 -3.791 8.185 39 H ILE 6 H ILE 6 -3.883 -0.854 1.634 40 HA ILE 6 HA ILE 6 -2.555 -2.474 -0.494 41 HB ILE 6 HB ILE 6 -3.161 -0.682 -2.053 42 HG12 ILE 6 HG13 ILE 6 -4.520 0.580 0.349 43 HG13 ILE 6 HG12 ILE 6 -3.064 1.191 -0.438 44 HG21 ILE 6 HG21 ILE 6 -5.096 -1.790 -2.346 45 HG22 ILE 6 HG22 ILE 6 -5.819 -0.899 -1.007 46 HG23 ILE 6 HG23 ILE 6 -4.976 -2.418 -0.703 47 HD11 ILE 6 HD11 ILE 6 -4.354 2.320 -1.887 48 HD12 ILE 6 HD12 ILE 6 -5.809 1.619 -1.179 49 HD13 ILE 6 HD13 ILE 6 -4.975 0.783 -2.489 50 H ALA 7 H ALA 7 -0.724 -1.377 -1.577 51 HA ALA 7 HA ALA 7 0.718 0.454 0.294 52 HB1 ALA 7 HB1 ALA 7 1.606 -1.974 -0.252 53 HB2 ALA 7 HB2 ALA 7 2.728 -0.616 -0.193 54 HB3 ALA 7 HB3 ALA 7 2.149 -1.212 -1.747 55 H LYS 8 H LYS 8 -0.835 0.241 -2.645 56 HA LYS 8 HA LYS 8 0.859 2.361 -3.874 57 HB2 LYS 8 HB3 LYS 8 -1.287 1.282 -5.540 58 HB3 LYS 8 HB2 LYS 8 0.431 1.435 -5.897 59 HG2 LYS 8 HG3 LYS 8 -0.769 -0.756 -4.172 60 HG3 LYS 8 HG2 LYS 8 -0.350 -0.939 -5.872 61 HD2 LYS 8 HD3 LYS 8 1.768 0.139 -4.070 62 HD3 LYS 8 HD2 LYS 8 1.375 -1.575 -3.923 63 HE2 LYS 8 HE3 LYS 8 1.941 -2.018 -6.175 64 HE3 LYS 8 HE2 LYS 8 1.875 -0.311 -6.616 65 HZ1 LYS 8 HZ1 LYS 8 3.875 0.125 -5.578 66 HZ2 LYS 8 HZ2 LYS 8 4.153 -1.406 -6.255 67 HZ3 LYS 8 HZ3 LYS 8 3.802 -1.262 -4.599 68 HA PRO 9 HA PRO 9 -2.322 5.319 -3.148 69 HB2 PRO 9 HB2 PRO 9 -2.173 6.862 -5.417 70 HB3 PRO 9 HB3 PRO 9 -1.008 6.946 -4.082 71 HG2 PRO 9 HG3 PRO 9 -0.779 5.587 -6.713 72 HG3 PRO 9 HG2 PRO 9 0.453 6.437 -5.765 73 HD2 PRO 9 HD3 PRO 9 0.266 3.704 -5.869 74 HD3 PRO 9 HD2 PRO 9 0.935 4.583 -4.477 75 H HIS 10 H HIS 10 -2.432 4.275 -6.581 76 HA HIS 10 HA HIS 10 -5.408 4.199 -6.337 77 HB2 HIS 10 HB3 HIS 10 -3.692 4.604 -8.801 78 HB3 HIS 10 HB2 HIS 10 -5.454 4.531 -8.788 79 HD1 HIS 10 HD1 HIS 10 -2.569 6.727 -7.813 80 HD2 HIS 10 HD2 HIS 10 -6.738 6.835 -7.695 81 HE1 HIS 10 HE1 HIS 10 -3.210 9.114 -7.248 82 HE2 HIS 10 HE2 HIS 10 -5.745 9.190 -7.174 83 H ASN 11 H ASN 11 -2.807 2.186 -6.318 84 HA ASN 11 HA ASN 11 -4.358 0.009 -7.669 85 HB2 ASN 11 HB3 ASN 11 -1.338 0.248 -7.555 86 HB3 ASN 11 HB2 ASN 11 -2.267 -0.983 -8.405 87 HD21 ASN 11 HD22 ASN 11 -1.055 2.287 -8.595 88 HD22 ASN 11 HD21 ASN 11 -1.687 2.644 -10.130 89 H CYS 12 H CYS 12 -3.595 -2.210 -6.840 90 HA CYS 12 HA CYS 12 -3.265 -2.040 -3.876 91 HB2 CYS 12 HB3 CYS 12 -4.393 -4.352 -5.478 92 HB3 CYS 12 HB2 CYS 12 -4.461 -4.130 -3.730 93 H VAL 13 H VAL 13 -2.288 -4.306 -3.072 94 HA VAL 13 HA VAL 13 0.246 -4.628 -4.607 95 HB VAL 13 HB VAL 13 -0.420 -5.539 -1.786 96 HG11 VAL 13 HG11 VAL 13 1.602 -6.533 -1.811 97 HG12 VAL 13 HG12 VAL 13 2.367 -5.054 -2.391 98 HG13 VAL 13 HG13 VAL 13 1.690 -6.207 -3.541 99 HG21 VAL 13 HG21 VAL 13 0.056 -3.454 -1.058 100 HG22 VAL 13 HG22 VAL 13 -0.057 -2.922 -2.735 101 HG23 VAL 13 HG23 VAL 13 1.507 -3.375 -2.059 102 H TYR 14 H TYR 14 0.572 -6.475 -5.741 103 HA TYR 14 HA TYR 14 -1.423 -8.592 -5.722 104 HB2 TYR 14 HB3 TYR 14 -0.162 -9.566 -7.494 105 HB3 TYR 14 HB2 TYR 14 -0.009 -7.825 -7.724 106 HD1 TYR 14 HD1 TYR 14 2.070 -6.643 -6.971 107 HD2 TYR 14 HD2 TYR 14 1.734 -10.925 -6.959 108 HE1 TYR 14 HE1 TYR 14 4.537 -6.836 -6.810 109 HE2 TYR 14 HE2 TYR 14 4.200 -11.118 -6.796 110 HH TYR 14 HH TYR 14 6.275 -8.223 -6.828 111 H GLU 15 H GLU 15 1.762 -8.092 -4.321 112 HA GLU 15 HA GLU 15 1.352 -10.146 -2.344 113 HB2 GLU 15 HB3 GLU 15 1.895 -11.521 -4.420 114 HB3 GLU 15 HB2 GLU 15 3.493 -10.773 -4.391 115 HG2 GLU 15 HG3 GLU 15 3.806 -11.598 -2.063 116 HG3 GLU 15 HG2 GLU 15 2.253 -12.428 -2.175 117 H CYS 16 H CYS 16 2.101 -8.614 -0.848 118 HA CYS 16 HA CYS 16 4.517 -7.075 -1.325 119 HB2 CYS 16 HB3 CYS 16 2.862 -6.146 0.173 120 HB3 CYS 16 HB2 CYS 16 2.902 -7.588 1.189 121 H PHE 17 H PHE 17 6.419 -8.180 -1.476 122 HA PHE 17 HA PHE 17 7.030 -10.709 -0.468 123 HB2 PHE 17 HB3 PHE 17 8.795 -10.076 -1.741 124 HB3 PHE 17 HB2 PHE 17 8.545 -8.370 -1.391 125 HD1 PHE 17 HD1 PHE 17 9.886 -11.537 0.074 126 HD2 PHE 17 HD2 PHE 17 9.934 -7.243 0.144 127 HE1 PHE 17 HE1 PHE 17 11.812 -11.584 1.638 128 HE2 PHE 17 HE2 PHE 17 11.857 -7.289 1.709 129 HZ PHE 17 HZ PHE 17 12.797 -9.458 2.455 130 H ASP 18 H ASP 18 7.967 -11.448 1.500 131 HA ASP 18 HA ASP 18 7.067 -10.023 3.850 132 HB2 ASP 18 HB3 ASP 18 7.153 -12.509 3.686 133 HB3 ASP 18 HB2 ASP 18 8.915 -12.419 3.676 134 H ALA 19 H ALA 19 8.121 -8.331 4.720 135 HA ALA 19 HA ALA 19 11.081 -8.466 4.943 136 HB1 ALA 19 HB1 ALA 19 9.953 -5.786 4.340 137 HB2 ALA 19 HB2 ALA 19 9.981 -6.926 2.996 138 HB3 ALA 19 HB3 ALA 19 11.480 -6.505 3.825 139 H PHE 20 H PHE 20 11.876 -7.364 6.803 140 HA PHE 20 HA PHE 20 10.140 -7.248 9.050 141 HB2 PHE 20 HB3 PHE 20 12.652 -7.422 9.136 142 HB3 PHE 20 HB2 PHE 20 12.735 -5.715 8.702 143 HD1 PHE 20 HD1 PHE 20 11.469 -8.102 11.262 144 HD2 PHE 20 HD2 PHE 20 12.353 -4.006 10.318 145 HE1 PHE 20 HE1 PHE 20 11.130 -7.480 13.640 146 HE2 PHE 20 HE2 PHE 20 12.011 -3.384 12.694 147 HZ PHE 20 HZ PHE 20 11.399 -5.122 14.355 148 H SER 21 H SER 21 11.357 -4.656 6.932 149 HA SER 21 HA SER 21 9.022 -3.094 6.967 150 HB2 SER 21 HB3 SER 21 9.141 -2.604 9.253 151 HB3 SER 21 HB2 SER 21 10.903 -2.593 9.254 152 HG SER 21 HG SER 21 9.785 -0.743 7.574 153 H SER 22 H SER 22 10.209 -3.231 4.800 154 HA SER 22 HA SER 22 11.742 -0.743 4.440 155 HB2 SER 22 HB3 SER 22 13.742 -1.667 3.783 156 HB3 SER 22 HB2 SER 22 13.239 -2.921 4.913 157 HG SER 22 HG SER 22 13.310 -2.918 2.130 158 H TYR 23 H TYR 23 10.683 -3.744 2.777 159 HA TYR 23 HA TYR 23 10.552 -2.628 0.175 160 HB2 TYR 23 HB3 TYR 23 10.334 -5.055 0.649 161 HB3 TYR 23 HB2 TYR 23 8.748 -4.758 1.361 162 HD1 TYR 23 HD2 TYR 23 10.701 -4.794 -1.767 163 HD2 TYR 23 HD1 TYR 23 6.831 -4.170 -0.012 164 HE1 TYR 23 HE2 TYR 23 9.667 -4.886 -4.019 165 HE2 TYR 23 HE1 TYR 23 5.795 -4.262 -2.266 166 HH TYR 23 HH TYR 23 7.329 -3.827 -5.010 167 H CYS 24 H CYS 24 7.927 -2.954 2.585 168 HA CYS 24 HA CYS 24 6.021 -1.480 1.013 169 HB2 CYS 24 HB3 CYS 24 5.628 -3.008 3.095 170 HB3 CYS 24 HB2 CYS 24 5.960 -1.545 4.023 171 H ASN 25 H ASN 25 8.227 -0.561 3.643 172 HA ASN 25 HA ASN 25 7.464 2.167 3.834 173 HB2 ASN 25 HB3 ASN 25 10.232 0.972 4.192 174 HB3 ASN 25 HB2 ASN 25 9.690 2.531 4.814 175 HD21 ASN 25 HD22 ASN 25 7.181 0.205 4.879 176 HD22 ASN 25 HD21 ASN 25 7.302 -0.222 6.518 177 H GLY 26 H GLY 26 9.678 0.492 1.642 178 HA2 GLY 26 HA3 GLY 26 10.802 2.794 0.389 179 HA3 GLY 26 HA2 GLY 26 10.649 1.210 -0.374 180 H VAL 27 H VAL 27 7.842 0.934 -0.302 181 HA VAL 27 HA VAL 27 7.083 2.417 -2.634 182 HB VAL 27 HB VAL 27 5.404 0.928 -0.597 183 HG11 VAL 27 HG11 VAL 27 4.704 2.207 -3.247 184 HG12 VAL 27 HG12 VAL 27 3.914 2.437 -1.686 185 HG13 VAL 27 HG13 VAL 27 3.738 0.908 -2.547 186 HG21 VAL 27 HG21 VAL 27 5.846 -0.028 -3.382 187 HG22 VAL 27 HG22 VAL 27 5.737 -0.949 -1.881 188 HG23 VAL 27 HG23 VAL 27 7.232 -0.107 -2.294 189 H CYS 28 H CYS 28 6.314 2.844 0.813 190 HA CYS 28 HA CYS 28 4.588 5.104 0.465 191 HB2 CYS 28 HB3 CYS 28 6.278 4.156 2.786 192 HB3 CYS 28 HB2 CYS 28 5.264 5.595 2.890 193 H THR 29 H THR 29 8.082 4.767 0.593 194 HA THR 29 HA THR 29 8.798 7.455 1.123 195 HB THR 29 HB THR 29 10.222 5.573 -0.778 196 HG1 THR 29 HG1 THR 29 11.195 5.692 1.727 197 HG21 THR 29 HG21 THR 29 12.184 6.845 -0.238 198 HG22 THR 29 HG22 THR 29 11.336 7.727 1.032 199 HG23 THR 29 HG23 THR 29 10.928 8.007 -0.660 200 H LYS 30 H LYS 30 7.996 5.874 -1.965 201 HA LYS 30 HA LYS 30 8.528 8.136 -3.628 202 HB2 LYS 30 HB3 LYS 30 6.398 6.019 -4.054 203 HB3 LYS 30 HB2 LYS 30 7.150 7.020 -5.294 204 HG2 LYS 30 HG3 LYS 30 8.620 5.017 -3.555 205 HG3 LYS 30 HG2 LYS 30 8.125 4.736 -5.224 206 HD2 LYS 30 HD3 LYS 30 9.458 6.875 -5.786 207 HD3 LYS 30 HD2 LYS 30 10.179 6.687 -4.185 208 HE2 LYS 30 HE3 LYS 30 10.834 4.356 -4.801 209 HE3 LYS 30 HE2 LYS 30 10.228 4.652 -6.431 210 HZ1 LYS 30 HZ1 LYS 30 12.650 5.593 -5.159 211 HZ2 LYS 30 HZ2 LYS 30 11.816 6.772 -6.050 212 HZ3 LYS 30 HZ3 LYS 30 12.313 5.333 -6.804 213 H ASN 31 H ASN 31 5.559 7.051 -2.007 214 HA ASN 31 HA ASN 31 3.918 9.222 -2.931 215 HB2 ASN 31 HB3 ASN 31 3.656 7.526 -0.429 216 HB3 ASN 31 HB2 ASN 31 2.392 8.554 -1.104 217 HD21 ASN 31 HD22 ASN 31 2.644 8.011 -3.857 218 HD22 ASN 31 HD21 ASN 31 2.305 6.373 -4.142 219 H GLY 32 H GLY 32 6.180 8.858 -0.283 220 HA2 GLY 32 HA3 GLY 32 7.244 10.777 0.756 221 HA3 GLY 32 HA2 GLY 32 5.831 11.749 0.333 222 H ALA 33 H ALA 33 4.854 8.748 1.447 223 HA ALA 33 HA ALA 33 3.683 9.846 3.845 224 HB1 ALA 33 HB1 ALA 33 3.732 7.238 2.454 225 HB2 ALA 33 HB2 ALA 33 2.387 8.074 3.229 226 HB3 ALA 33 HB3 ALA 33 3.525 7.142 4.202 227 H LYS 34 H LYS 34 4.058 8.515 6.000 228 HA LYS 34 HA LYS 34 6.866 8.899 6.702 229 HB2 LYS 34 HB3 LYS 34 4.926 9.401 8.238 230 HB3 LYS 34 HB2 LYS 34 4.666 7.663 8.379 231 HG2 LYS 34 HG3 LYS 34 7.257 7.660 8.967 232 HG3 LYS 34 HG2 LYS 34 6.926 9.332 9.417 233 HD2 LYS 34 HD3 LYS 34 5.334 6.959 10.431 234 HD3 LYS 34 HD2 LYS 34 6.660 7.710 11.317 235 HE2 LYS 34 HE3 LYS 34 4.095 9.070 10.443 236 HE3 LYS 34 HE2 LYS 34 4.544 8.647 12.095 237 HZ1 LYS 34 HZ1 LYS 34 6.499 10.105 11.843 238 HZ2 LYS 34 HZ2 LYS 34 5.030 10.944 11.719 239 HZ3 LYS 34 HZ3 LYS 34 5.923 10.585 10.318 240 H SER 35 H SER 35 4.869 6.084 7.581 241 HA SER 35 HA SER 35 6.875 4.297 6.329 242 HB2 SER 35 HB3 SER 35 7.210 3.038 8.368 243 HB3 SER 35 HB2 SER 35 7.552 4.730 8.714 244 HG SER 35 HG SER 35 5.592 3.089 9.682 245 H GLY 36 H GLY 36 6.108 1.984 6.429 246 HA2 GLY 36 HA3 GLY 36 3.172 1.711 6.723 247 HA3 GLY 36 HA2 GLY 36 3.885 1.304 5.161 248 H TYR 37 H TYR 37 2.520 -0.542 6.967 249 HA TYR 37 HA TYR 37 4.810 -2.371 7.599 250 HB2 TYR 37 HB3 TYR 37 2.118 -2.261 8.990 251 HB3 TYR 37 HB2 TYR 37 3.482 -3.290 9.421 252 HD1 TYR 37 HD2 TYR 37 2.286 0.222 9.260 253 HD2 TYR 37 HD1 TYR 37 5.350 -2.444 10.664 254 HE1 TYR 37 HE2 TYR 37 3.215 2.035 10.675 255 HE2 TYR 37 HE1 TYR 37 6.280 -0.629 12.077 256 HH TYR 37 HH TYR 37 4.782 2.612 12.128 257 H CYS 38 H CYS 38 4.722 -4.366 6.629 258 HA CYS 38 HA CYS 38 2.335 -4.947 4.942 259 HB2 CYS 38 HB3 CYS 38 5.225 -5.582 4.791 260 HB3 CYS 38 HB2 CYS 38 4.145 -6.890 4.315 261 H GLN 39 H GLN 39 0.889 -6.400 5.734 262 HA GLN 39 HA GLN 39 1.919 -8.666 7.348 263 HB2 GLN 39 HB3 GLN 39 -0.348 -6.840 8.199 264 HB3 GLN 39 HB2 GLN 39 0.082 -8.354 9.000 265 HG2 GLN 39 HG3 GLN 39 2.393 -7.453 9.349 266 HG3 GLN 39 HG2 GLN 39 1.851 -5.912 8.688 267 HE21 GLN 39 HE22 GLN 39 -0.822 -7.088 10.242 268 HE22 GLN 39 HE21 GLN 39 -0.595 -6.389 11.771 269 H ILE 40 H ILE 40 -1.147 -9.049 7.909 270 HA ILE 40 HA ILE 40 -1.570 -10.576 5.403 271 HB ILE 40 HB ILE 40 -3.184 -10.615 7.962 272 HG12 ILE 40 HG13 ILE 40 -1.044 -12.551 7.024 273 HG13 ILE 40 HG12 ILE 40 -0.775 -11.300 8.239 274 HG21 ILE 40 HG21 ILE 40 -3.353 -11.987 5.352 275 HG22 ILE 40 HG22 ILE 40 -4.604 -11.709 6.561 276 HG23 ILE 40 HG23 ILE 40 -3.475 -13.049 6.754 277 HD11 ILE 40 HD11 ILE 40 -1.338 -13.599 9.166 278 HD12 ILE 40 HD12 ILE 40 -2.952 -13.389 8.484 279 HD13 ILE 40 HD13 ILE 40 -2.372 -12.288 9.735 280 H LEU 41 H LEU 41 -3.250 -10.164 4.015 281 HA LEU 41 HA LEU 41 -4.386 -7.583 3.826 282 HB2 LEU 41 HB3 LEU 41 -4.254 -9.370 2.027 283 HB3 LEU 41 HB2 LEU 41 -5.640 -10.140 2.795 284 HG LEU 41 HG LEU 41 -6.656 -7.691 2.622 285 HD11 LEU 41 HD11 LEU 41 -4.423 -6.911 1.612 286 HD12 LEU 41 HD12 LEU 41 -5.890 -6.434 0.760 287 HD13 LEU 41 HD13 LEU 41 -4.916 -7.774 0.156 288 HD21 LEU 41 HD21 LEU 41 -7.355 -8.422 0.177 289 HD22 LEU 41 HD22 LEU 41 -7.881 -9.368 1.570 290 HD23 LEU 41 HD23 LEU 41 -6.505 -9.907 0.607 291 H GLY 42 H GLY 42 -5.567 -10.527 5.368 292 HA2 GLY 42 HA3 GLY 42 -7.001 -9.490 7.454 293 HA3 GLY 42 HA2 GLY 42 -8.140 -9.348 6.109 294 H THR 43 H THR 43 -8.310 -11.422 4.756 295 HA THR 43 HA THR 43 -8.467 -13.744 6.615 296 HB THR 43 HB THR 43 -10.144 -14.651 5.063 297 HG1 THR 43 HG1 THR 43 -10.723 -12.716 3.494 298 HG21 THR 43 HG21 THR 43 -10.978 -13.184 6.810 299 HG22 THR 43 HG22 THR 43 -11.878 -12.866 5.327 300 HG23 THR 43 HG23 THR 43 -10.604 -11.760 5.840 301 H TYR 44 H TYR 44 -8.023 -13.193 3.119 302 HA TYR 44 HA TYR 44 -5.743 -15.128 3.198 303 HB2 TYR 44 HB3 TYR 44 -7.834 -14.838 1.017 304 HB3 TYR 44 HB2 TYR 44 -6.437 -15.913 0.958 305 HD1 TYR 44 HD1 TYR 44 -6.237 -17.800 2.587 306 HD2 TYR 44 HD2 TYR 44 -9.787 -15.400 2.292 307 HE1 TYR 44 HE1 TYR 44 -7.511 -19.532 3.823 308 HE2 TYR 44 HE2 TYR 44 -11.061 -17.132 3.527 309 HH TYR 44 HH TYR 44 -9.464 -20.100 4.699 310 H GLY 45 H GLY 45 -3.997 -14.607 1.778 311 HA2 GLY 45 HA3 GLY 45 -2.877 -13.268 0.125 312 HA3 GLY 45 HA2 GLY 45 -4.216 -12.123 0.180 313 H ASN 46 H ASN 46 -1.988 -10.808 0.275 314 HA ASN 46 HA ASN 46 -1.418 -10.275 3.149 315 HB2 ASN 46 HB3 ASN 46 0.410 -10.167 0.743 316 HB3 ASN 46 HB2 ASN 46 0.825 -9.472 2.304 317 HD21 ASN 46 HD22 ASN 46 -0.107 -11.377 4.106 318 HD22 ASN 46 HD21 ASN 46 0.676 -12.861 3.848 319 H GLY 47 H GLY 47 -1.161 -8.038 3.710 320 HA2 GLY 47 HA3 GLY 47 -1.823 -6.066 1.583 321 HA3 GLY 47 HA2 GLY 47 -2.834 -6.113 3.027 322 H CYS 48 H CYS 48 -1.376 -3.813 2.324 323 HA CYS 48 HA CYS 48 0.439 -3.651 4.666 324 HB2 CYS 48 HB3 CYS 48 1.637 -3.937 2.341 325 HB3 CYS 48 HB2 CYS 48 1.210 -2.239 2.133 326 H TRP 49 H TRP 49 0.169 -1.752 5.808 327 HA TRP 49 HA TRP 49 -1.682 0.253 4.604 328 HB2 TRP 49 HB3 TRP 49 -1.414 0.863 7.313 329 HB3 TRP 49 HB2 TRP 49 -2.779 0.043 6.565 330 HD1 TRP 49 HD1 TRP 49 0.634 -0.794 8.106 331 HE1 TRP 49 HE1 TRP 49 0.488 -3.129 9.193 332 HE3 TRP 49 HE3 TRP 49 -4.118 -2.073 6.777 333 HZ2 TRP 49 HZ2 TRP 49 -1.408 -5.252 9.459 334 HZ3 TRP 49 HZ3 TRP 49 -5.071 -4.256 7.462 335 HH2 TRP 49 HH2 TRP 49 -3.723 -5.845 8.801 336 H CYS 50 H CYS 50 -0.958 2.306 4.278 337 HA CYS 50 HA CYS 50 1.863 2.868 5.062 338 HB2 CYS 50 HB3 CYS 50 1.041 3.133 2.631 339 HB3 CYS 50 HB2 CYS 50 0.146 4.539 3.210 340 H ILE 51 H ILE 51 2.182 4.227 6.760 341 HA ILE 51 HA ILE 51 -0.170 5.692 7.816 342 HB ILE 51 HB ILE 51 2.532 5.339 9.131 343 HG12 ILE 51 HG13 ILE 51 1.770 3.107 8.659 344 HG13 ILE 51 HG12 ILE 51 1.371 3.428 10.347 345 HG21 ILE 51 HG21 ILE 51 1.058 5.547 11.185 346 HG22 ILE 51 HG22 ILE 51 -0.261 5.986 10.100 347 HG23 ILE 51 HG23 ILE 51 1.172 7.008 10.203 348 HD11 ILE 51 HD11 ILE 51 -0.613 2.497 9.481 349 HD12 ILE 51 HD12 ILE 51 -0.469 3.377 7.962 350 HD13 ILE 51 HD13 ILE 51 -0.918 4.233 9.436 351 H ALA 52 H ALA 52 -0.272 7.903 7.694 352 HA ALA 52 HA ALA 52 2.074 9.585 7.657 353 HB1 ALA 52 HB1 ALA 52 0.638 9.077 5.041 354 HB2 ALA 52 HB2 ALA 52 2.348 8.826 5.391 355 HB3 ALA 52 HB3 ALA 52 1.695 10.463 5.316 356 H LEU 53 H LEU 53 -0.375 10.673 5.528 357 HA LEU 53 HA LEU 53 -1.627 12.229 7.757 358 HB2 LEU 53 HB3 LEU 53 -0.222 13.632 6.312 359 HB3 LEU 53 HB2 LEU 53 -1.120 13.081 4.897 360 HG LEU 53 HG LEU 53 -2.989 14.004 6.870 361 HD11 LEU 53 HD11 LEU 53 -1.151 15.351 7.766 362 HD12 LEU 53 HD12 LEU 53 -2.299 16.392 6.924 363 HD13 LEU 53 HD13 LEU 53 -0.777 15.950 6.150 364 HD21 LEU 53 HD21 LEU 53 -3.513 15.622 5.004 365 HD22 LEU 53 HD22 LEU 53 -3.476 13.934 4.497 366 HD23 LEU 53 HD23 LEU 53 -2.112 14.992 4.140 367 HA PRO 54 HA PRO 54 -5.081 9.961 5.736 368 HB2 PRO 54 HB2 PRO 54 -6.592 9.685 8.011 369 HB3 PRO 54 HB3 PRO 54 -5.336 8.541 7.515 370 HG2 PRO 54 HG3 PRO 54 -5.301 10.568 9.643 371 HG3 PRO 54 HG2 PRO 54 -4.392 9.057 9.501 372 HD2 PRO 54 HD3 PRO 54 -3.394 11.647 9.020 373 HD3 PRO 54 HD2 PRO 54 -2.599 10.122 8.576 374 H ASP 55 H ASP 55 -4.847 12.958 7.328 375 HA ASP 55 HA ASP 55 -7.529 13.827 7.517 376 HB2 ASP 55 HB3 ASP 55 -5.025 15.376 6.794 377 HB3 ASP 55 HB2 ASP 55 -6.575 16.130 7.169 378 H ASN 56 H ASN 56 -5.394 13.648 4.693 379 HA ASN 56 HA ASN 56 -7.300 15.024 2.966 380 HB2 ASN 56 HB3 ASN 56 -4.831 13.384 2.333 381 HB3 ASN 56 HB2 ASN 56 -5.760 14.291 1.139 382 HD21 ASN 56 HD22 ASN 56 -5.997 16.060 3.946 383 HD22 ASN 56 HD21 ASN 56 -4.683 17.112 3.727 384 H VAL 57 H VAL 57 -8.738 14.094 1.519 385 HA VAL 57 HA VAL 57 -10.144 11.810 2.061 386 HB VAL 57 HB VAL 57 -10.716 13.400 0.253 387 HG11 VAL 57 HG11 VAL 57 -8.165 13.078 -0.593 388 HG12 VAL 57 HG12 VAL 57 -9.457 13.660 -1.642 389 HG13 VAL 57 HG13 VAL 57 -8.985 11.963 -1.686 390 HG21 VAL 57 HG21 VAL 57 -10.482 10.600 -0.873 391 HG22 VAL 57 HG22 VAL 57 -11.747 11.790 -1.185 392 HG23 VAL 57 HG23 VAL 57 -11.635 11.016 0.396 393 HA PRO 58 HA PRO 58 -6.778 8.866 1.129 394 HB2 PRO 58 HB2 PRO 58 -7.210 7.135 3.110 395 HB3 PRO 58 HB3 PRO 58 -6.553 8.750 3.460 396 HG2 PRO 58 HG3 PRO 58 -9.321 7.718 3.815 397 HG3 PRO 58 HG2 PRO 58 -8.382 8.815 4.844 398 HD2 PRO 58 HD3 PRO 58 -10.304 9.588 2.933 399 HD3 PRO 58 HD2 PRO 58 -9.110 10.657 3.702 400 H ILE 59 H ILE 59 -6.805 6.634 0.338 401 HA ILE 59 HA ILE 59 -7.794 5.084 -1.134 402 HB ILE 59 HB ILE 59 -9.515 4.913 1.346 403 HG12 ILE 59 HG13 ILE 59 -7.221 3.193 0.357 404 HG13 ILE 59 HG12 ILE 59 -7.052 4.473 1.560 405 HG21 ILE 59 HG21 ILE 59 -9.683 3.537 -1.246 406 HG22 ILE 59 HG22 ILE 59 -10.862 3.611 0.063 407 HG23 ILE 59 HG23 ILE 59 -9.550 2.435 0.125 408 HD11 ILE 59 HD11 ILE 59 -9.052 3.159 2.727 409 HD12 ILE 59 HD12 ILE 59 -7.378 2.657 2.961 410 HD13 ILE 59 HD13 ILE 59 -8.398 1.811 1.798 411 H ARG 60 H ARG 60 -8.541 7.293 -2.268 412 HA ARG 60 HA ARG 60 -11.212 8.174 -2.239 413 HB2 ARG 60 HB3 ARG 60 -9.486 7.742 -4.702 414 HB3 ARG 60 HB2 ARG 60 -10.851 8.849 -4.567 415 HG2 ARG 60 HG3 ARG 60 -9.688 10.228 -2.994 416 HG3 ARG 60 HG2 ARG 60 -8.401 9.034 -2.807 417 HD2 ARG 60 HD3 ARG 60 -7.565 10.736 -4.290 418 HD3 ARG 60 HD2 ARG 60 -7.916 9.311 -5.271 419 HE ARG 60 HE ARG 60 -10.133 11.218 -5.117 420 HH11 ARG 60 HH22 ARG 60 -7.238 10.210 -6.693 421 HH12 ARG 60 HH21 ARG 60 -7.636 10.964 -8.200 422 HH21 ARG 60 HH11 ARG 60 -10.673 12.207 -7.078 423 HH22 ARG 60 HH12 ARG 60 -9.583 12.093 -8.419 424 H ILE 61 H ILE 61 -9.734 5.350 -3.678 425 HA ILE 61 HA ILE 61 -11.865 4.439 -5.298 426 HB ILE 61 HB ILE 61 -9.506 3.216 -3.944 427 HG12 ILE 61 HG13 ILE 61 -8.847 2.739 -6.214 428 HG13 ILE 61 HG12 ILE 61 -10.456 3.131 -6.819 429 HG21 ILE 61 HG21 ILE 61 -11.015 1.431 -3.576 430 HG22 ILE 61 HG22 ILE 61 -10.230 1.021 -5.100 431 HG23 ILE 61 HG23 ILE 61 -11.852 1.710 -5.103 432 HD11 ILE 61 HD11 ILE 61 -10.171 5.431 -6.464 433 HD12 ILE 61 HD12 ILE 61 -8.564 4.932 -6.991 434 HD13 ILE 61 HD13 ILE 61 -8.889 5.185 -5.278 435 HA PRO 62 HA PRO 62 -14.997 3.502 -2.182 436 HB2 PRO 62 HB2 PRO 62 -15.642 1.242 -4.015 437 HB3 PRO 62 HB3 PRO 62 -16.712 2.477 -3.328 438 HG2 PRO 62 HG3 PRO 62 -15.889 2.517 -5.887 439 HG3 PRO 62 HG2 PRO 62 -16.243 3.984 -4.964 440 HD2 PRO 62 HD3 PRO 62 -13.629 2.930 -5.855 441 HD3 PRO 62 HD2 PRO 62 -14.088 4.582 -5.390 442 H GLY 63 H GLY 63 -12.746 1.146 -3.474 443 HA2 GLY 63 HA3 GLY 63 -11.610 -0.022 -1.420 444 HA3 GLY 63 HA2 GLY 63 -13.236 -0.652 -1.161 445 H LYS 64 H LYS 64 -12.823 -0.281 -4.436 446 HA LYS 64 HA LYS 64 -12.126 -3.157 -4.733 447 HB2 LYS 64 HB3 LYS 64 -13.571 -1.289 -6.639 448 HB3 LYS 64 HB2 LYS 64 -13.269 -3.003 -6.922 449 HG2 LYS 64 HG3 LYS 64 -14.790 -1.972 -4.514 450 HG3 LYS 64 HG2 LYS 64 -15.582 -2.442 -6.018 451 HD2 LYS 64 HD3 LYS 64 -15.563 -4.580 -5.317 452 HD3 LYS 64 HD2 LYS 64 -13.801 -4.552 -5.363 453 HE2 LYS 64 HE3 LYS 64 -13.683 -3.795 -3.074 454 HE3 LYS 64 HE2 LYS 64 -15.430 -3.558 -3.009 455 HZ1 LYS 64 HZ1 LYS 64 -15.535 -6.030 -3.596 456 HZ2 LYS 64 HZ2 LYS 64 -15.115 -5.607 -2.008 457 HZ3 LYS 64 HZ3 LYS 64 -13.910 -6.085 -3.106 458 H CYS 65 H CYS 65 -10.239 -3.653 -5.734 459 HA CYS 65 HA CYS 65 -8.289 -1.693 -6.374 460 HB2 CYS 65 HB3 CYS 65 -8.591 -4.566 -7.270 461 HB3 CYS 65 HB2 CYS 65 -7.147 -3.597 -7.564 462 H HIS 66 H HIS 66 -10.860 -3.106 -8.291 463 HA HIS 66 HA HIS 66 -10.409 -1.095 -10.378 464 HB2 HIS 66 HB3 HIS 66 -10.217 -4.055 -11.015 465 HB3 HIS 66 HB2 HIS 66 -10.248 -2.754 -12.205 466 HD1 HIS 66 HD1 HIS 66 -8.216 -0.963 -11.986 467 HD2 HIS 66 HD2 HIS 66 -7.682 -4.594 -10.005 468 HE1 HIS 66 HE1 HIS 66 -5.739 -1.145 -11.476 469 HE2 HIS 66 HE2 HIS 66 -5.405 -3.352 -10.270 Start of MODEL 20 1 H1 ALA 1 H1 ALA 1 -7.031 8.306 7.163 2 H2 ALA 1 H2 ALA 1 -8.315 8.968 6.267 3 H3 ALA 1 H3 ALA 1 -7.600 9.864 7.521 4 HA ALA 1 HA ALA 1 -6.891 9.778 4.803 5 HB1 ALA 1 HB1 ALA 1 -5.558 11.157 7.153 6 HB2 ALA 1 HB2 ALA 1 -6.997 11.763 6.333 7 HB3 ALA 1 HB3 ALA 1 -5.469 11.641 5.460 8 H ARG 2 H ARG 2 -6.232 7.219 5.680 9 HA ARG 2 HA ARG 2 -3.267 7.295 5.396 10 HB2 ARG 2 HB3 ARG 2 -2.997 5.556 7.079 11 HB3 ARG 2 HB2 ARG 2 -3.871 6.907 7.802 12 HG2 ARG 2 HG3 ARG 2 -6.021 5.695 7.223 13 HG3 ARG 2 HG2 ARG 2 -5.031 4.299 6.791 14 HD2 ARG 2 HD3 ARG 2 -4.040 4.350 9.085 15 HD3 ARG 2 HD2 ARG 2 -5.152 5.653 9.502 16 HE ARG 2 HE ARG 2 -6.878 3.742 8.624 17 HH11 ARG 2 HH22 ARG 2 -4.139 3.674 10.716 18 HH12 ARG 2 HH21 ARG 2 -4.740 2.366 11.680 19 HH21 ARG 2 HH11 ARG 2 -7.679 2.034 9.870 20 HH22 ARG 2 HH12 ARG 2 -6.746 1.438 11.200 21 H ASP 3 H ASP 3 -2.461 5.015 4.762 22 HA ASP 3 HA ASP 3 -4.327 3.936 2.725 23 HB2 ASP 3 HB3 ASP 3 -1.377 3.434 3.226 24 HB3 ASP 3 HB2 ASP 3 -2.307 2.697 1.922 25 H ALA 4 H ALA 4 -5.056 1.777 2.807 26 HA ALA 4 HA ALA 4 -4.593 0.425 5.416 27 HB1 ALA 4 HB1 ALA 4 -6.865 0.426 3.454 28 HB2 ALA 4 HB2 ALA 4 -6.896 0.743 5.189 29 HB3 ALA 4 HB3 ALA 4 -6.682 -0.905 4.598 30 H TYR 5 H TYR 5 -5.760 -1.095 2.443 31 HA TYR 5 HA TYR 5 -3.622 -3.131 2.791 32 HB2 TYR 5 HB3 TYR 5 -5.906 -3.313 0.836 33 HB3 TYR 5 HB2 TYR 5 -5.018 -4.620 1.619 34 HD1 TYR 5 HD2 TYR 5 -5.238 -4.882 4.161 35 HD2 TYR 5 HD1 TYR 5 -7.862 -2.428 1.806 36 HE1 TYR 5 HE2 TYR 5 -6.911 -4.914 5.993 37 HE2 TYR 5 HE1 TYR 5 -9.535 -2.460 3.637 38 HH TYR 5 HH TYR 5 -9.563 -2.807 6.095 39 H ILE 6 H ILE 6 -4.524 -0.537 0.694 40 HA ILE 6 HA ILE 6 -2.676 -1.549 -1.410 41 HB ILE 6 HB ILE 6 -4.670 0.727 -1.539 42 HG12 ILE 6 HG13 ILE 6 -4.833 -2.093 -2.651 43 HG13 ILE 6 HG12 ILE 6 -5.732 -1.507 -1.251 44 HG21 ILE 6 HG21 ILE 6 -2.469 0.055 -3.179 45 HG22 ILE 6 HG22 ILE 6 -3.754 1.208 -3.536 46 HG23 ILE 6 HG23 ILE 6 -3.908 -0.473 -4.051 47 HD11 ILE 6 HD11 ILE 6 -6.576 0.360 -2.830 48 HD12 ILE 6 HD12 ILE 6 -7.256 -1.254 -3.035 49 HD13 ILE 6 HD13 ILE 6 -6.004 -0.679 -4.135 50 H ALA 7 H ALA 7 -0.769 -0.532 -1.759 51 HA ALA 7 HA ALA 7 -0.285 2.050 -0.337 52 HB1 ALA 7 HB1 ALA 7 1.221 -0.470 -0.405 53 HB2 ALA 7 HB2 ALA 7 1.307 0.857 0.753 54 HB3 ALA 7 HB3 ALA 7 2.208 0.948 -0.760 55 H LYS 8 H LYS 8 -1.119 1.192 -3.198 56 HA LYS 8 HA LYS 8 0.974 2.785 -4.609 57 HB2 LYS 8 HB3 LYS 8 -0.615 1.030 -6.325 58 HB3 LYS 8 HB2 LYS 8 1.134 1.216 -6.237 59 HG2 LYS 8 HG3 LYS 8 -0.514 -0.399 -4.264 60 HG3 LYS 8 HG2 LYS 8 0.370 -1.082 -5.623 61 HD2 LYS 8 HD3 LYS 8 2.073 0.690 -4.085 62 HD3 LYS 8 HD2 LYS 8 1.386 -0.571 -3.059 63 HE2 LYS 8 HE3 LYS 8 2.111 -2.269 -4.754 64 HE3 LYS 8 HE2 LYS 8 2.914 -0.978 -5.646 65 HZ1 LYS 8 HZ1 LYS 8 4.108 -2.427 -3.767 66 HZ2 LYS 8 HZ2 LYS 8 3.533 -1.147 -2.814 67 HZ3 LYS 8 HZ3 LYS 8 4.553 -0.829 -4.134 68 HA PRO 9 HA PRO 9 -2.240 5.568 -5.770 69 HB2 PRO 9 HB2 PRO 9 -1.552 6.108 -8.401 70 HB3 PRO 9 HB3 PRO 9 -0.802 6.862 -6.984 71 HG2 PRO 9 HG3 PRO 9 0.177 4.639 -8.687 72 HG3 PRO 9 HG2 PRO 9 1.081 5.932 -7.880 73 HD2 PRO 9 HD3 PRO 9 1.003 3.377 -6.927 74 HD3 PRO 9 HD2 PRO 9 1.180 4.793 -5.866 75 H HIS 10 H HIS 10 -1.608 2.945 -8.082 76 HA HIS 10 HA HIS 10 -4.540 2.679 -8.448 77 HB2 HIS 10 HB3 HIS 10 -2.536 2.784 -10.723 78 HB3 HIS 10 HB2 HIS 10 -4.250 2.402 -10.892 79 HD1 HIS 10 HD1 HIS 10 -1.892 5.246 -10.290 80 HD2 HIS 10 HD2 HIS 10 -6.012 4.636 -10.525 81 HE1 HIS 10 HE1 HIS 10 -2.951 7.545 -10.429 82 HE2 HIS 10 HE2 HIS 10 -5.457 7.184 -10.573 83 H ASN 11 H ASN 11 -1.597 1.307 -7.759 84 HA ASN 11 HA ASN 11 -2.452 -1.394 -8.710 85 HB2 ASN 11 HB3 ASN 11 0.285 -0.448 -7.809 86 HB3 ASN 11 HB2 ASN 11 -0.103 -2.050 -8.437 87 HD21 ASN 11 HD22 ASN 11 0.708 1.200 -9.333 88 HD22 ASN 11 HD21 ASN 11 0.533 1.006 -11.010 89 H CYS 12 H CYS 12 -1.670 -3.176 -7.112 90 HA CYS 12 HA CYS 12 -2.247 -2.279 -4.313 91 HB2 CYS 12 HB3 CYS 12 -2.921 -5.015 -5.391 92 HB3 CYS 12 HB2 CYS 12 -3.562 -4.211 -3.957 93 H VAL 13 H VAL 13 -1.529 -4.192 -2.757 94 HA VAL 13 HA VAL 13 1.291 -4.811 -3.490 95 HB VAL 13 HB VAL 13 -0.079 -4.929 -0.784 96 HG11 VAL 13 HG11 VAL 13 1.854 -6.402 -0.895 97 HG12 VAL 13 HG12 VAL 13 2.295 -4.966 0.031 98 HG13 VAL 13 HG13 VAL 13 2.823 -5.131 -1.643 99 HG21 VAL 13 HG21 VAL 13 1.063 -2.730 -2.348 100 HG22 VAL 13 HG22 VAL 13 1.819 -2.899 -0.764 101 HG23 VAL 13 HG23 VAL 13 0.074 -2.670 -0.889 102 H TYR 14 H TYR 14 1.979 -6.940 -3.632 103 HA TYR 14 HA TYR 14 -0.153 -8.993 -3.619 104 HB2 TYR 14 HB3 TYR 14 2.513 -9.979 -4.223 105 HB3 TYR 14 HB2 TYR 14 1.076 -9.959 -5.247 106 HD1 TYR 14 HD2 TYR 14 0.418 -7.658 -6.292 107 HD2 TYR 14 HD1 TYR 14 4.310 -8.557 -4.712 108 HE1 TYR 14 HE2 TYR 14 1.384 -5.794 -7.611 109 HE2 TYR 14 HE1 TYR 14 5.277 -6.693 -6.032 110 HH TYR 14 HH TYR 14 4.879 -5.077 -7.492 111 H GLU 15 H GLU 15 3.207 -8.836 -2.392 112 HA GLU 15 HA GLU 15 2.491 -9.623 0.273 113 HB2 GLU 15 HB3 GLU 15 2.013 -11.772 -0.941 114 HB3 GLU 15 HB2 GLU 15 3.708 -11.819 -1.429 115 HG2 GLU 15 HG3 GLU 15 4.367 -11.761 0.974 116 HG3 GLU 15 HG2 GLU 15 2.660 -11.831 1.417 117 H CYS 16 H CYS 16 4.020 -8.108 0.940 118 HA CYS 16 HA CYS 16 6.553 -7.625 -0.154 119 HB2 CYS 16 HB3 CYS 16 7.175 -6.730 2.045 120 HB3 CYS 16 HB2 CYS 16 5.518 -6.272 1.653 121 H PHE 17 H PHE 17 7.832 -9.333 -0.727 122 HA PHE 17 HA PHE 17 8.041 -11.809 0.643 123 HB2 PHE 17 HB3 PHE 17 9.889 -12.277 -0.780 124 HB3 PHE 17 HB2 PHE 17 8.833 -11.227 -1.723 125 HD1 PHE 17 HD2 PHE 17 9.345 -8.745 -1.845 126 HD2 PHE 17 HD1 PHE 17 12.095 -11.605 -0.195 127 HE1 PHE 17 HE2 PHE 17 11.192 -7.111 -2.088 128 HE2 PHE 17 HE1 PHE 17 13.941 -9.968 -0.437 129 HZ PHE 17 HZ PHE 17 13.490 -7.721 -1.383 130 H ASP 18 H ASP 18 9.945 -8.831 0.964 131 HA ASP 18 HA ASP 18 10.885 -9.840 3.587 132 HB2 ASP 18 HB3 ASP 18 12.640 -10.360 1.853 133 HB3 ASP 18 HB2 ASP 18 12.773 -8.627 1.553 134 H ALA 19 H ALA 19 9.541 -8.252 4.558 135 HA ALA 19 HA ALA 19 9.478 -5.503 3.775 136 HB1 ALA 19 HB1 ALA 19 9.104 -6.480 6.609 137 HB2 ALA 19 HB2 ALA 19 7.883 -6.744 5.363 138 HB3 ALA 19 HB3 ALA 19 8.337 -5.101 5.820 139 H PHE 20 H PHE 20 11.764 -7.378 5.615 140 HA PHE 20 HA PHE 20 13.059 -5.379 7.124 141 HB2 PHE 20 HB3 PHE 20 13.613 -7.823 7.187 142 HB3 PHE 20 HB2 PHE 20 14.411 -7.643 5.624 143 HD1 PHE 20 HD1 PHE 20 14.495 -6.626 9.189 144 HD2 PHE 20 HD2 PHE 20 16.564 -6.592 5.425 145 HE1 PHE 20 HE1 PHE 20 16.553 -5.839 10.328 146 HE2 PHE 20 HE2 PHE 20 18.622 -5.805 6.564 147 HZ PHE 20 HZ PHE 20 18.616 -5.429 9.015 148 H SER 21 H SER 21 13.359 -6.202 3.692 149 HA SER 21 HA SER 21 15.465 -4.236 3.222 150 HB2 SER 21 HB3 SER 21 13.664 -5.761 1.315 151 HB3 SER 21 HB2 SER 21 14.999 -4.729 0.810 152 HG SER 21 HG SER 21 15.118 -7.052 2.443 153 H SER 22 H SER 22 12.441 -3.797 4.171 154 HA SER 22 HA SER 22 10.932 -2.014 4.043 155 HB2 SER 22 HB3 SER 22 11.837 0.113 3.657 156 HB3 SER 22 HB2 SER 22 13.247 -0.814 4.160 157 HG SER 22 HG SER 22 13.242 0.537 2.089 158 H TYR 23 H TYR 23 10.870 -4.033 1.941 159 HA TYR 23 HA TYR 23 10.644 -2.856 -0.656 160 HB2 TYR 23 HB3 TYR 23 10.706 -5.310 -0.263 161 HB3 TYR 23 HB2 TYR 23 9.105 -5.214 0.474 162 HD1 TYR 23 HD2 TYR 23 11.010 -4.908 -2.675 163 HD2 TYR 23 HD1 TYR 23 7.118 -4.818 -0.860 164 HE1 TYR 23 HE2 TYR 23 9.960 -5.040 -4.918 165 HE2 TYR 23 HE1 TYR 23 6.068 -4.949 -3.103 166 HH TYR 23 HH TYR 23 7.955 -5.564 -5.980 167 H CYS 24 H CYS 24 8.095 -3.651 1.718 168 HA CYS 24 HA CYS 24 6.050 -2.193 0.282 169 HB2 CYS 24 HB3 CYS 24 5.456 -3.994 1.846 170 HB3 CYS 24 HB2 CYS 24 6.171 -3.087 3.179 171 H ASN 25 H ASN 25 7.865 -1.522 3.272 172 HA ASN 25 HA ASN 25 6.877 1.103 3.695 173 HB2 ASN 25 HB3 ASN 25 9.646 0.035 4.329 174 HB3 ASN 25 HB2 ASN 25 8.881 1.440 5.073 175 HD21 ASN 25 HD22 ASN 25 6.584 -0.999 4.409 176 HD22 ASN 25 HD21 ASN 25 6.505 -1.678 5.962 177 H GLY 26 H GLY 26 9.505 -0.118 1.685 178 HA2 GLY 26 HA3 GLY 26 10.663 2.382 0.969 179 HA3 GLY 26 HA2 GLY 26 10.727 0.924 -0.025 180 H VAL 27 H VAL 27 7.970 0.543 -0.490 181 HA VAL 27 HA VAL 27 7.529 2.307 -2.686 182 HB VAL 27 HB VAL 27 5.618 0.535 -1.144 183 HG11 VAL 27 HG11 VAL 27 4.187 0.803 -3.226 184 HG12 VAL 27 HG12 VAL 27 5.229 2.151 -3.675 185 HG13 VAL 27 HG13 VAL 27 4.275 2.230 -2.194 186 HG21 VAL 27 HG21 VAL 27 7.588 -0.423 -2.504 187 HG22 VAL 27 HG22 VAL 27 6.735 0.170 -3.929 188 HG23 VAL 27 HG23 VAL 27 5.981 -1.039 -2.890 189 H CYS 28 H CYS 28 6.092 2.275 0.582 190 HA CYS 28 HA CYS 28 4.531 4.664 0.120 191 HB2 CYS 28 HB3 CYS 28 5.273 3.029 2.517 192 HB3 CYS 28 HB2 CYS 28 4.639 4.656 2.774 193 H THR 29 H THR 29 7.782 4.031 1.324 194 HA THR 29 HA THR 29 8.373 6.570 2.433 195 HB THR 29 HB THR 29 10.260 4.820 0.825 196 HG1 THR 29 HG1 THR 29 10.280 4.634 3.553 197 HG21 THR 29 HG21 THR 29 10.601 7.011 2.868 198 HG22 THR 29 HG22 THR 29 11.362 6.852 1.285 199 HG23 THR 29 HG23 THR 29 11.861 5.803 2.612 200 H LYS 30 H LYS 30 8.855 5.415 -0.906 201 HA LYS 30 HA LYS 30 9.751 7.944 -1.926 202 HB2 LYS 30 HB3 LYS 30 8.550 5.499 -3.238 203 HB3 LYS 30 HB2 LYS 30 9.080 6.906 -4.162 204 HG2 LYS 30 HG3 LYS 30 11.280 6.426 -3.862 205 HG3 LYS 30 HG2 LYS 30 11.043 5.973 -2.175 206 HD2 LYS 30 HD3 LYS 30 10.476 3.770 -2.704 207 HD3 LYS 30 HD2 LYS 30 10.032 4.177 -4.364 208 HE2 LYS 30 HE3 LYS 30 12.177 4.012 -5.110 209 HE3 LYS 30 HE2 LYS 30 12.841 4.763 -3.658 210 HZ1 LYS 30 HZ1 LYS 30 12.738 2.046 -4.303 211 HZ2 LYS 30 HZ2 LYS 30 11.735 2.287 -2.957 212 HZ3 LYS 30 HZ3 LYS 30 13.364 2.769 -2.899 213 H ASN 31 H ASN 31 6.569 6.439 -1.639 214 HA ASN 31 HA ASN 31 5.076 8.327 -3.153 215 HB2 ASN 31 HB3 ASN 31 4.243 6.794 -0.668 216 HB3 ASN 31 HB2 ASN 31 3.141 7.589 -1.795 217 HD21 ASN 31 HD22 ASN 31 4.349 6.889 -4.267 218 HD22 ASN 31 HD21 ASN 31 4.264 5.206 -4.465 219 H GLY 32 H GLY 32 6.537 8.510 -0.003 220 HA2 GLY 32 HA3 GLY 32 7.017 10.704 0.973 221 HA3 GLY 32 HA2 GLY 32 5.526 11.306 0.245 222 H ALA 33 H ALA 33 4.883 8.264 1.372 223 HA ALA 33 HA ALA 33 3.169 9.183 3.470 224 HB1 ALA 33 HB1 ALA 33 3.822 6.454 3.932 225 HB2 ALA 33 HB2 ALA 33 3.775 6.690 2.185 226 HB3 ALA 33 HB3 ALA 33 2.371 7.100 3.169 227 H LYS 34 H LYS 34 3.466 9.128 5.740 228 HA LYS 34 HA LYS 34 6.072 9.689 6.724 229 HB2 LYS 34 HB3 LYS 34 3.916 10.280 7.874 230 HB3 LYS 34 HB2 LYS 34 3.747 8.583 8.322 231 HG2 LYS 34 HG3 LYS 34 6.322 9.109 9.123 232 HG3 LYS 34 HG2 LYS 34 5.527 10.651 9.438 233 HD2 LYS 34 HD3 LYS 34 4.477 7.967 10.382 234 HD3 LYS 34 HD2 LYS 34 5.413 9.079 11.381 235 HE2 LYS 34 HE3 LYS 34 3.316 10.579 10.164 236 HE3 LYS 34 HE2 LYS 34 2.601 9.122 10.855 237 HZ1 LYS 34 HZ1 LYS 34 3.905 9.649 12.913 238 HZ2 LYS 34 HZ2 LYS 34 2.642 10.724 12.562 239 HZ3 LYS 34 HZ3 LYS 34 4.248 11.166 12.228 240 H SER 35 H SER 35 4.132 6.691 7.086 241 HA SER 35 HA SER 35 6.682 5.179 7.172 242 HB2 SER 35 HB3 SER 35 6.084 3.996 9.193 243 HB3 SER 35 HB2 SER 35 5.992 5.722 9.532 244 HG SER 35 HG SER 35 3.810 4.062 8.778 245 H GLY 36 H GLY 36 6.236 2.775 7.055 246 HA2 GLY 36 HA3 GLY 36 3.622 2.119 5.832 247 HA3 GLY 36 HA2 GLY 36 5.066 1.813 4.877 248 H TYR 37 H TYR 37 2.939 0.084 6.397 249 HA TYR 37 HA TYR 37 4.962 -1.767 7.595 250 HB2 TYR 37 HB3 TYR 37 2.140 -1.280 8.591 251 HB3 TYR 37 HB2 TYR 37 3.292 -2.428 9.272 252 HD1 TYR 37 HD1 TYR 37 5.434 -1.582 10.294 253 HD2 TYR 37 HD2 TYR 37 2.244 1.045 9.124 254 HE1 TYR 37 HE1 TYR 37 6.403 0.221 11.697 255 HE2 TYR 37 HE2 TYR 37 3.212 2.847 10.526 256 HH TYR 37 HH TYR 37 6.366 2.571 11.951 257 H CYS 38 H CYS 38 4.796 -3.877 6.910 258 HA CYS 38 HA CYS 38 2.562 -4.487 5.019 259 HB2 CYS 38 HB3 CYS 38 4.680 -4.654 3.902 260 HB3 CYS 38 HB2 CYS 38 5.372 -5.592 5.226 261 H GLN 39 H GLN 39 1.138 -6.025 5.616 262 HA GLN 39 HA GLN 39 1.967 -8.009 7.683 263 HB2 GLN 39 HB3 GLN 39 0.204 -5.877 8.139 264 HB3 GLN 39 HB2 GLN 39 -0.837 -7.280 7.912 265 HG2 GLN 39 HG3 GLN 39 -0.339 -7.304 10.225 266 HG3 GLN 39 HG2 GLN 39 0.766 -8.494 9.538 267 HE21 GLN 39 HE22 GLN 39 1.072 -4.921 9.366 268 HE22 GLN 39 HE21 GLN 39 2.534 -4.851 10.222 269 H ILE 40 H ILE 40 0.226 -9.833 7.757 270 HA ILE 40 HA ILE 40 -0.375 -10.523 4.936 271 HB ILE 40 HB ILE 40 -0.577 -12.822 5.724 272 HG12 ILE 40 HG13 ILE 40 -0.180 -11.607 8.478 273 HG13 ILE 40 HG12 ILE 40 -1.650 -12.380 7.885 274 HG21 ILE 40 HG21 ILE 40 1.683 -13.163 6.067 275 HG22 ILE 40 HG22 ILE 40 1.814 -11.843 7.229 276 HG23 ILE 40 HG23 ILE 40 1.721 -11.493 5.503 277 HD11 ILE 40 HD11 ILE 40 0.164 -14.338 7.375 278 HD12 ILE 40 HD12 ILE 40 -0.770 -14.239 8.869 279 HD13 ILE 40 HD13 ILE 40 0.876 -13.608 8.814 280 H LEU 41 H LEU 41 -2.474 -10.701 4.204 281 HA LEU 41 HA LEU 41 -4.648 -10.573 6.239 282 HB2 LEU 41 HB3 LEU 41 -4.221 -8.354 5.068 283 HB3 LEU 41 HB2 LEU 41 -4.745 -9.144 3.581 284 HG LEU 41 HG LEU 41 -6.886 -9.761 4.718 285 HD11 LEU 41 HD11 LEU 41 -6.632 -9.726 7.002 286 HD12 LEU 41 HD12 LEU 41 -7.211 -8.073 6.791 287 HD13 LEU 41 HD13 LEU 41 -5.484 -8.387 6.960 288 HD21 LEU 41 HD21 LEU 41 -6.577 -7.679 3.310 289 HD22 LEU 41 HD22 LEU 41 -6.330 -6.783 4.808 290 HD23 LEU 41 HD23 LEU 41 -7.877 -7.570 4.497 291 H GLY 42 H GLY 42 -6.057 -12.224 5.999 292 HA2 GLY 42 HA3 GLY 42 -5.825 -14.126 3.862 293 HA3 GLY 42 HA2 GLY 42 -7.130 -14.078 5.046 294 H THR 43 H THR 43 -7.778 -11.239 4.282 295 HA THR 43 HA THR 43 -9.830 -11.787 2.397 296 HB THR 43 HB THR 43 -8.531 -9.103 2.932 297 HG1 THR 43 HG1 THR 43 -9.434 -10.529 4.726 298 HG21 THR 43 HG21 THR 43 -11.346 -9.814 2.068 299 HG22 THR 43 HG22 THR 43 -10.084 -9.239 0.978 300 HG23 THR 43 HG23 THR 43 -10.684 -8.192 2.265 301 H TYR 44 H TYR 44 -6.648 -10.264 1.906 302 HA TYR 44 HA TYR 44 -6.930 -10.887 -1.009 303 HB2 TYR 44 HB3 TYR 44 -5.604 -8.472 0.264 304 HB3 TYR 44 HB2 TYR 44 -5.564 -8.856 -1.457 305 HD1 TYR 44 HD2 TYR 44 -7.753 -9.006 -2.735 306 HD2 TYR 44 HD1 TYR 44 -7.483 -7.391 1.235 307 HE1 TYR 44 HE2 TYR 44 -9.950 -7.896 -3.038 308 HE2 TYR 44 HE1 TYR 44 -9.681 -6.282 0.934 309 HH TYR 44 HH TYR 44 -11.217 -6.055 -2.134 310 H GLY 45 H GLY 45 -5.564 -12.106 1.519 311 HA2 GLY 45 HA3 GLY 45 -3.692 -13.569 1.618 312 HA3 GLY 45 HA2 GLY 45 -3.123 -12.897 0.088 313 H ASN 46 H ASN 46 -2.756 -10.304 0.459 314 HA ASN 46 HA ASN 46 -1.331 -9.913 3.021 315 HB2 ASN 46 HB3 ASN 46 0.167 -10.712 0.988 316 HB3 ASN 46 HB2 ASN 46 0.035 -9.015 0.518 317 HD21 ASN 46 HD22 ASN 46 1.215 -7.460 1.747 318 HD22 ASN 46 HD21 ASN 46 2.204 -7.873 3.064 319 H GLY 47 H GLY 47 -1.233 -7.726 3.676 320 HA2 GLY 47 HA3 GLY 47 -2.412 -5.724 1.817 321 HA3 GLY 47 HA2 GLY 47 -3.142 -5.930 3.410 322 H CYS 48 H CYS 48 -1.324 -3.804 1.922 323 HA CYS 48 HA CYS 48 0.609 -3.432 4.167 324 HB2 CYS 48 HB3 CYS 48 0.764 -3.031 1.262 325 HB3 CYS 48 HB2 CYS 48 1.327 -1.640 2.186 326 H TRP 49 H TRP 49 0.167 -1.735 5.538 327 HA TRP 49 HA TRP 49 -1.664 0.396 4.522 328 HB2 TRP 49 HB3 TRP 49 -2.564 0.654 6.745 329 HB3 TRP 49 HB2 TRP 49 -2.641 -1.056 6.341 330 HD1 TRP 49 HD1 TRP 49 -0.229 1.359 8.183 331 HE1 TRP 49 HE1 TRP 49 0.820 0.077 10.154 332 HE3 TRP 49 HE3 TRP 49 -2.314 -3.245 7.449 333 HZ2 TRP 49 HZ2 TRP 49 0.777 -2.552 11.278 334 HZ3 TRP 49 HZ3 TRP 49 -1.799 -5.116 8.989 335 HH2 TRP 49 HH2 TRP 49 -0.258 -4.775 10.902 336 H CYS 50 H CYS 50 -1.001 2.503 4.801 337 HA CYS 50 HA CYS 50 1.566 2.917 6.280 338 HB2 CYS 50 HB3 CYS 50 0.722 4.188 3.656 339 HB3 CYS 50 HB2 CYS 50 2.163 4.627 4.571 340 H ILE 51 H ILE 51 1.796 5.075 7.198 341 HA ILE 51 HA ILE 51 -0.859 6.331 7.723 342 HB ILE 51 HB ILE 51 1.665 6.575 9.379 343 HG12 ILE 51 HG13 ILE 51 1.032 4.247 9.427 344 HG13 ILE 51 HG12 ILE 51 0.455 4.972 10.927 345 HG21 ILE 51 HG21 ILE 51 -0.153 8.336 9.557 346 HG22 ILE 51 HG22 ILE 51 0.208 7.487 11.060 347 HG23 ILE 51 HG23 ILE 51 -1.228 7.061 10.130 348 HD11 ILE 51 HD11 ILE 51 -1.125 4.133 8.508 349 HD12 ILE 51 HD12 ILE 51 -1.755 5.377 9.589 350 HD13 ILE 51 HD13 ILE 51 -1.415 3.760 10.204 351 H ALA 52 H ALA 52 -1.161 8.281 6.801 352 HA ALA 52 HA ALA 52 0.716 10.418 6.842 353 HB1 ALA 52 HB1 ALA 52 1.557 8.631 4.987 354 HB2 ALA 52 HB2 ALA 52 1.789 10.370 4.818 355 HB3 ALA 52 HB3 ALA 52 0.442 9.577 4.004 356 H LEU 53 H LEU 53 -0.173 11.358 4.110 357 HA LEU 53 HA LEU 53 -3.088 11.711 4.649 358 HB2 LEU 53 HB3 LEU 53 -1.736 13.686 5.448 359 HB3 LEU 53 HB2 LEU 53 -1.228 13.936 3.777 360 HG LEU 53 HG LEU 53 -3.814 13.846 3.285 361 HD11 LEU 53 HD11 LEU 53 -3.947 13.386 5.961 362 HD12 LEU 53 HD12 LEU 53 -5.248 14.142 5.040 363 HD13 LEU 53 HD13 LEU 53 -4.104 15.142 5.936 364 HD21 LEU 53 HD21 LEU 53 -2.829 15.871 2.741 365 HD22 LEU 53 HD22 LEU 53 -2.106 16.066 4.338 366 HD23 LEU 53 HD23 LEU 53 -3.824 16.387 4.103 367 HA PRO 54 HA PRO 54 -2.368 10.719 0.212 368 HB2 PRO 54 HB2 PRO 54 -3.849 8.439 0.129 369 HB3 PRO 54 HB3 PRO 54 -2.156 8.465 0.651 370 HG2 PRO 54 HG3 PRO 54 -4.598 8.114 2.238 371 HG3 PRO 54 HG2 PRO 54 -2.935 7.629 2.596 372 HD2 PRO 54 HD3 PRO 54 -4.340 9.925 3.599 373 HD3 PRO 54 HD2 PRO 54 -2.653 9.464 3.914 374 H ASP 55 H ASP 55 -4.596 12.268 1.736 375 HA ASP 55 HA ASP 55 -7.144 11.688 0.712 376 HB2 ASP 55 HB3 ASP 55 -5.844 14.371 1.253 377 HB3 ASP 55 HB2 ASP 55 -7.560 14.170 0.900 378 H ASN 56 H ASN 56 -4.424 13.319 -0.859 379 HA ASN 56 HA ASN 56 -5.767 14.337 -3.131 380 HB2 ASN 56 HB3 ASN 56 -2.974 13.173 -2.913 381 HB3 ASN 56 HB2 ASN 56 -3.562 14.120 -4.281 382 HD21 ASN 56 HD22 ASN 56 -1.364 15.040 -2.696 383 HD22 ASN 56 HD21 ASN 56 -1.856 16.425 -1.848 384 H VAL 57 H VAL 57 -4.644 11.065 -2.415 385 HA VAL 57 HA VAL 57 -6.125 10.130 -4.829 386 HB VAL 57 HB VAL 57 -3.655 10.056 -5.205 387 HG11 VAL 57 HG11 VAL 57 -3.276 7.772 -3.393 388 HG12 VAL 57 HG12 VAL 57 -3.561 9.297 -2.554 389 HG13 VAL 57 HG13 VAL 57 -2.224 9.156 -3.695 390 HG21 VAL 57 HG21 VAL 57 -4.989 8.449 -6.402 391 HG22 VAL 57 HG22 VAL 57 -5.158 7.434 -4.970 392 HG23 VAL 57 HG23 VAL 57 -3.593 7.580 -5.767 393 HA PRO 58 HA PRO 58 -7.485 7.704 -1.171 394 HB2 PRO 58 HB2 PRO 58 -10.018 8.644 -0.997 395 HB3 PRO 58 HB3 PRO 58 -8.636 9.523 -0.317 396 HG2 PRO 58 HG3 PRO 58 -10.274 10.153 -2.658 397 HG3 PRO 58 HG2 PRO 58 -9.220 11.204 -1.700 398 HD2 PRO 58 HD3 PRO 58 -8.638 9.898 -4.231 399 HD3 PRO 58 HD2 PRO 58 -7.638 11.059 -3.334 400 H ILE 59 H ILE 59 -7.381 5.836 -2.678 401 HA ILE 59 HA ILE 59 -8.328 4.197 -4.103 402 HB ILE 59 HB ILE 59 -10.775 4.915 -2.453 403 HG12 ILE 59 HG13 ILE 59 -8.694 2.824 -1.786 404 HG13 ILE 59 HG12 ILE 59 -8.569 4.478 -1.185 405 HG21 ILE 59 HG21 ILE 59 -9.933 2.543 -4.101 406 HG22 ILE 59 HG22 ILE 59 -11.490 3.369 -4.067 407 HG23 ILE 59 HG23 ILE 59 -11.017 2.322 -2.730 408 HD11 ILE 59 HD11 ILE 59 -10.724 4.302 -0.087 409 HD12 ILE 59 HD12 ILE 59 -9.728 2.934 0.411 410 HD13 ILE 59 HD13 ILE 59 -10.996 2.709 -0.794 411 H ARG 60 H ARG 60 -8.176 6.408 -5.595 412 HA ARG 60 HA ARG 60 -10.592 7.628 -6.458 413 HB2 ARG 60 HB3 ARG 60 -9.057 7.587 -8.743 414 HB3 ARG 60 HB2 ARG 60 -8.931 8.797 -7.468 415 HG2 ARG 60 HG3 ARG 60 -7.125 7.631 -6.413 416 HG3 ARG 60 HG2 ARG 60 -7.374 6.203 -7.421 417 HD2 ARG 60 HD3 ARG 60 -5.500 7.371 -8.355 418 HD3 ARG 60 HD2 ARG 60 -6.864 7.677 -9.429 419 HE ARG 60 HE ARG 60 -6.928 9.796 -7.637 420 HH11 ARG 60 HH22 ARG 60 -4.619 8.348 -9.746 421 HH12 ARG 60 HH21 ARG 60 -3.773 9.827 -10.053 422 HH21 ARG 60 HH11 ARG 60 -5.836 11.738 -8.024 423 HH22 ARG 60 HH12 ARG 60 -4.461 11.746 -9.079 424 H ILE 61 H ILE 61 -8.974 4.676 -7.598 425 HA ILE 61 HA ILE 61 -10.738 4.186 -9.779 426 HB ILE 61 HB ILE 61 -9.840 1.974 -9.850 427 HG12 ILE 61 HG13 ILE 61 -10.263 1.302 -7.518 428 HG13 ILE 61 HG12 ILE 61 -8.588 0.987 -7.950 429 HG21 ILE 61 HG21 ILE 61 -7.695 3.709 -8.604 430 HG22 ILE 61 HG22 ILE 61 -8.255 3.877 -10.268 431 HG23 ILE 61 HG23 ILE 61 -7.465 2.388 -9.750 432 HD11 ILE 61 HD11 ILE 61 -9.668 3.244 -6.254 433 HD12 ILE 61 HD12 ILE 61 -8.037 3.268 -6.926 434 HD13 ILE 61 HD13 ILE 61 -8.507 1.999 -5.799 435 HA PRO 62 HA PRO 62 -14.641 3.053 -8.032 436 HB2 PRO 62 HB2 PRO 62 -14.411 0.468 -9.498 437 HB3 PRO 62 HB3 PRO 62 -15.721 1.662 -9.515 438 HG2 PRO 62 HG3 PRO 62 -13.937 1.382 -11.525 439 HG3 PRO 62 HG2 PRO 62 -14.743 2.907 -11.135 440 HD2 PRO 62 HD3 PRO 62 -11.919 2.160 -10.767 441 HD3 PRO 62 HD2 PRO 62 -12.673 3.770 -10.779 442 H GLY 63 H GLY 63 -11.929 0.849 -7.859 443 HA2 GLY 63 HA3 GLY 63 -11.669 0.171 -5.342 444 HA3 GLY 63 HA2 GLY 63 -13.217 -0.625 -5.623 445 H LYS 64 H LYS 64 -11.539 -0.724 -8.484 446 HA LYS 64 HA LYS 64 -10.794 -3.543 -8.004 447 HB2 LYS 64 HB3 LYS 64 -10.842 -1.928 -10.571 448 HB3 LYS 64 HB2 LYS 64 -10.552 -3.664 -10.454 449 HG2 LYS 64 HG3 LYS 64 -12.810 -3.856 -9.311 450 HG3 LYS 64 HG2 LYS 64 -13.092 -2.173 -9.758 451 HD2 LYS 64 HD3 LYS 64 -12.477 -4.433 -11.687 452 HD3 LYS 64 HD2 LYS 64 -14.059 -3.689 -11.443 453 HE2 LYS 64 HE3 LYS 64 -12.859 -1.457 -12.002 454 HE3 LYS 64 HE2 LYS 64 -11.583 -2.480 -12.664 455 HZ1 LYS 64 HZ1 LYS 64 -14.081 -1.808 -13.798 456 HZ2 LYS 64 HZ2 LYS 64 -13.986 -3.490 -13.603 457 HZ3 LYS 64 HZ3 LYS 64 -12.791 -2.671 -14.491 458 H CYS 65 H CYS 65 -8.670 -4.301 -8.298 459 HA CYS 65 HA CYS 65 -6.536 -2.587 -7.557 460 HB2 CYS 65 HB3 CYS 65 -6.667 -5.167 -7.531 461 HB3 CYS 65 HB2 CYS 65 -6.161 -5.074 -9.219 462 H HIS 66 H HIS 66 -7.461 -3.817 -10.775 463 HA HIS 66 HA HIS 66 -6.666 -3.179 -12.904 464 HB2 HIS 66 HB3 HIS 66 -8.316 -1.388 -12.202 465 HB3 HIS 66 HB2 HIS 66 -6.933 -0.416 -11.693 466 HD1 HIS 66 HD1 HIS 66 -7.634 -2.505 -14.816 467 HD2 HIS 66 HD2 HIS 66 -6.333 1.315 -13.757 468 HE1 HIS 66 HE1 HIS 66 -7.134 -1.289 -16.985 469 HE2 HIS 66 HE2 HIS 66 -6.340 1.036 -16.351
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