NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
573073 | 2m5j | 18201 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 SER 6 H1 SER 6 -9.268 6.777 4.241 2 H2 SER 6 H2 SER 6 -10.276 7.640 5.288 3 H3 SER 6 H3 SER 6 -9.067 8.444 4.430 4 HA SER 6 HA SER 6 -10.190 7.780 2.346 5 HB2 SER 6 HB2 SER 6 -12.671 7.228 2.734 6 HB3 SER 6 HB3 SER 6 -11.501 5.941 3.027 7 HG SER 6 HG SER 6 -13.226 6.435 4.687 8 H MET 7 H MET 7 -9.440 10.059 3.753 9 HA MET 7 HA MET 7 -11.730 11.817 3.239 10 HB2 MET 7 HB2 MET 7 -9.922 11.935 5.667 11 HB3 MET 7 HB3 MET 7 -11.078 13.183 5.226 12 HG2 MET 7 HG2 MET 7 -12.912 11.617 5.514 13 HG3 MET 7 HG3 MET 7 -11.771 10.330 5.891 14 HE1 MET 7 HE1 MET 7 -12.535 14.007 8.574 15 HE2 MET 7 HE2 MET 7 -13.394 13.682 7.069 16 HE3 MET 7 HE3 MET 7 -11.686 14.115 7.032 17 H ALA 8 H ALA 8 -10.741 12.345 1.266 18 HA ALA 8 HA ALA 8 -8.007 12.959 0.974 19 HB1 ALA 8 HB1 ALA 8 -8.575 13.710 -1.244 20 HB2 ALA 8 HB2 ALA 8 -10.281 13.803 -0.807 21 HB3 ALA 8 HB3 ALA 8 -9.470 12.238 -0.869 22 H GLN 9 H GLN 9 -10.696 14.900 1.986 23 HA GLN 9 HA GLN 9 -9.314 17.394 1.428 24 HB2 GLN 9 HB2 GLN 9 -11.974 16.857 2.759 25 HB3 GLN 9 HB3 GLN 9 -11.340 18.452 2.382 26 HG2 GLN 9 HG2 GLN 9 -11.388 17.948 0.017 27 HG3 GLN 9 HG3 GLN 9 -11.937 16.308 0.357 28 HE21 GLN 9 HE21 GLN 9 -14.059 15.959 0.962 29 HE22 GLN 9 HE22 GLN 9 -15.277 17.178 0.813 30 H ALA 10 H ALA 10 -9.273 15.107 3.847 31 HA ALA 10 HA ALA 10 -8.393 17.103 5.833 32 HB1 ALA 10 HB1 ALA 10 -9.500 14.347 6.351 33 HB2 ALA 10 HB2 ALA 10 -10.383 15.861 6.541 34 HB3 ALA 10 HB3 ALA 10 -8.996 15.514 7.572 35 H ALA 11 H ALA 11 -7.252 15.015 3.649 36 HA ALA 11 HA ALA 11 -5.076 13.971 5.311 37 HB1 ALA 11 HB1 ALA 11 -6.253 12.317 3.977 38 HB2 ALA 11 HB2 ALA 11 -4.597 12.497 3.398 39 HB3 ALA 11 HB3 ALA 11 -5.927 13.240 2.510 40 H GLN 12 H GLN 12 -2.986 14.558 4.992 41 HA GLN 12 HA GLN 12 -2.516 16.963 3.467 42 HB2 GLN 12 HB2 GLN 12 -1.515 16.658 5.697 43 HB3 GLN 12 HB3 GLN 12 -0.613 15.272 5.104 44 HG2 GLN 12 HG2 GLN 12 0.552 16.749 3.513 45 HG3 GLN 12 HG3 GLN 12 -0.311 18.126 4.197 46 HE21 GLN 12 HE21 GLN 12 0.871 15.434 6.093 47 HE22 GLN 12 HE22 GLN 12 2.093 16.321 6.935 48 H GLN 13 H GLN 13 -1.728 17.062 1.465 49 HA GLN 13 HA GLN 13 -0.960 14.639 0.091 50 HB2 GLN 13 HB2 GLN 13 -0.998 17.514 -0.857 51 HB3 GLN 13 HB3 GLN 13 -0.702 16.116 -1.878 52 HG2 GLN 13 HG2 GLN 13 -2.959 15.289 -1.367 53 HG3 GLN 13 HG3 GLN 13 -3.250 16.739 -0.404 54 HE21 GLN 13 HE21 GLN 13 -4.943 17.412 -1.713 55 HE22 GLN 13 HE22 GLN 13 -4.686 18.045 -3.301 56 H LYS 14 H LYS 14 1.041 13.859 0.179 57 HA LYS 14 HA LYS 14 3.275 15.746 0.536 58 HB2 LYS 14 HB2 LYS 14 3.168 12.770 1.074 59 HB3 LYS 14 HB3 LYS 14 4.567 13.800 1.329 60 HG2 LYS 14 HG2 LYS 14 1.937 14.087 2.764 61 HG3 LYS 14 HG3 LYS 14 3.356 13.260 3.403 62 HD2 LYS 14 HD2 LYS 14 3.216 16.175 2.635 63 HD3 LYS 14 HD3 LYS 14 3.152 15.543 4.280 64 HE2 LYS 14 HE2 LYS 14 5.459 15.322 2.350 65 HE3 LYS 14 HE3 LYS 14 5.384 16.339 3.786 66 HZ1 LYS 14 HZ1 LYS 14 5.221 14.315 5.134 67 HZ2 LYS 14 HZ2 LYS 14 6.648 14.352 4.231 68 HZ3 LYS 14 HZ3 LYS 14 5.367 13.367 3.741 69 H ASN 15 H ASN 15 4.781 15.898 -1.049 70 HA ASN 15 HA ASN 15 4.231 14.527 -3.529 71 HB2 ASN 15 HB2 ASN 15 4.917 16.905 -3.519 72 HB3 ASN 15 HB3 ASN 15 6.481 16.433 -2.858 73 HD21 ASN 15 HD21 ASN 15 4.402 16.346 -5.647 74 HD22 ASN 15 HD22 ASN 15 5.626 15.926 -6.796 75 H PHE 16 H PHE 16 4.846 12.510 -3.747 76 HA PHE 16 HA PHE 16 7.303 11.612 -2.434 77 HB2 PHE 16 HB2 PHE 16 4.942 10.120 -3.563 78 HB3 PHE 16 HB3 PHE 16 6.419 9.310 -3.055 79 HD1 PHE 16 HD1 PHE 16 7.133 9.521 -0.678 80 HD2 PHE 16 HD2 PHE 16 3.296 10.709 -2.027 81 HE1 PHE 16 HE1 PHE 16 6.306 9.447 1.641 82 HE2 PHE 16 HE2 PHE 16 2.445 10.638 0.279 83 HZ PHE 16 HZ PHE 16 3.954 10.006 2.123 84 H ASN 17 H ASN 17 8.906 10.555 -3.506 85 HA ASN 17 HA ASN 17 8.779 10.434 -6.430 86 HB2 ASN 17 HB2 ASN 17 9.984 12.510 -5.847 87 HB3 ASN 17 HB3 ASN 17 11.087 11.588 -4.834 88 HD21 ASN 17 HD21 ASN 17 12.690 10.359 -5.787 89 HD22 ASN 17 HD22 ASN 17 13.097 10.493 -7.464 90 H ILE 18 H ILE 18 8.540 8.228 -6.295 91 HA ILE 18 HA ILE 18 10.702 6.758 -4.939 92 HB ILE 18 HB ILE 18 7.942 5.728 -5.621 93 HG12 ILE 18 HG12 ILE 18 7.881 7.474 -3.861 94 HG13 ILE 18 HG13 ILE 18 7.399 5.891 -3.266 95 HG21 ILE 18 HG21 ILE 18 9.621 3.975 -5.561 96 HG22 ILE 18 HG22 ILE 18 8.546 3.839 -4.170 97 HG23 ILE 18 HG23 ILE 18 10.160 4.520 -3.972 98 HD11 ILE 18 HD11 ILE 18 9.592 5.606 -2.242 99 HD12 ILE 18 HD12 ILE 18 8.793 7.074 -1.668 100 HD13 ILE 18 HD13 ILE 18 10.087 7.183 -2.862 101 H ALA 19 H ALA 19 12.181 6.354 -6.478 102 HA ALA 19 HA ALA 19 11.663 5.723 -9.179 103 HB1 ALA 19 HB1 ALA 19 13.961 4.805 -9.165 104 HB2 ALA 19 HB2 ALA 19 13.995 4.971 -7.410 105 HB3 ALA 19 HB3 ALA 19 13.873 6.405 -8.430 106 H ALA 20 H ALA 20 11.458 3.669 -10.211 107 HA ALA 20 HA ALA 20 9.928 1.838 -8.680 108 HB1 ALA 20 HB1 ALA 20 11.152 1.468 -11.415 109 HB2 ALA 20 HB2 ALA 20 9.569 2.172 -11.080 110 HB3 ALA 20 HB3 ALA 20 9.878 0.475 -10.709 111 H GLN 21 H GLN 21 10.974 0.947 -7.053 112 HA GLN 21 HA GLN 21 13.363 -0.671 -7.575 113 HB2 GLN 21 HB2 GLN 21 12.195 0.463 -5.025 114 HB3 GLN 21 HB3 GLN 21 13.540 -0.672 -5.053 115 HG2 GLN 21 HG2 GLN 21 14.943 0.877 -6.160 116 HG3 GLN 21 HG3 GLN 21 13.592 1.955 -6.507 117 HE21 GLN 21 HE21 GLN 21 12.777 3.251 -4.889 118 HE22 GLN 21 HE22 GLN 21 13.637 3.545 -3.417 119 HA PRO 22 HA PRO 22 11.114 -4.496 -6.499 120 HB2 PRO 22 HB2 PRO 22 13.048 -4.790 -4.253 121 HB3 PRO 22 HB3 PRO 22 12.604 -5.954 -5.506 122 HG2 PRO 22 HG2 PRO 22 14.950 -4.707 -5.593 123 HG3 PRO 22 HG3 PRO 22 14.026 -5.009 -7.075 124 HD2 PRO 22 HD2 PRO 22 14.354 -2.474 -5.528 125 HD3 PRO 22 HD3 PRO 22 14.272 -2.721 -7.284 126 H LEU 23 H LEU 23 9.397 -4.813 -5.156 127 HA LEU 23 HA LEU 23 8.439 -2.601 -3.773 128 HB2 LEU 23 HB2 LEU 23 7.434 -5.061 -4.600 129 HB3 LEU 23 HB3 LEU 23 7.202 -5.058 -2.865 130 HG LEU 23 HG LEU 23 6.175 -2.972 -4.783 131 HD11 LEU 23 HD11 LEU 23 3.975 -3.832 -4.203 132 HD12 LEU 23 HD12 LEU 23 4.716 -5.066 -3.185 133 HD13 LEU 23 HD13 LEU 23 4.974 -5.088 -4.928 134 HD21 LEU 23 HD21 LEU 23 6.737 -1.982 -2.632 135 HD22 LEU 23 HD22 LEU 23 5.793 -3.220 -1.804 136 HD23 LEU 23 HD23 LEU 23 4.989 -2.051 -2.852 137 H GLN 24 H GLN 24 10.356 -5.241 -2.601 138 HA GLN 24 HA GLN 24 9.860 -4.928 0.164 139 HB2 GLN 24 HB2 GLN 24 12.404 -5.882 -1.165 140 HB3 GLN 24 HB3 GLN 24 11.896 -6.211 0.487 141 HG2 GLN 24 HG2 GLN 24 10.004 -7.503 -0.344 142 HG3 GLN 24 HG3 GLN 24 10.494 -7.163 -2.003 143 HE21 GLN 24 HE21 GLN 24 10.771 -9.311 -2.516 144 HE22 GLN 24 HE22 GLN 24 12.077 -10.259 -1.899 145 H SER 25 H SER 25 12.469 -3.694 -1.919 146 HA SER 25 HA SER 25 13.584 -2.065 0.156 147 HB2 SER 25 HB2 SER 25 14.126 -1.958 -2.820 148 HB3 SER 25 HB3 SER 25 15.160 -1.339 -1.530 149 HG SER 25 HG SER 25 15.001 -3.702 -0.796 150 H ALA 26 H ALA 26 11.261 -1.653 -2.389 151 HA ALA 26 HA ALA 26 11.216 1.112 -2.693 152 HB1 ALA 26 HB1 ALA 26 9.936 -0.443 -4.092 153 HB2 ALA 26 HB2 ALA 26 8.909 0.831 -3.435 154 HB3 ALA 26 HB3 ALA 26 8.871 -0.785 -2.727 155 H MET 27 H MET 27 9.252 -0.877 -0.483 156 HA MET 27 HA MET 27 8.196 1.433 0.842 157 HB2 MET 27 HB2 MET 27 8.072 -1.485 1.595 158 HB3 MET 27 HB3 MET 27 7.167 -0.199 2.386 159 HG2 MET 27 HG2 MET 27 6.907 -1.110 -0.467 160 HG3 MET 27 HG3 MET 27 5.736 -1.328 0.833 161 HE1 MET 27 HE1 MET 27 3.897 -0.298 -0.894 162 HE2 MET 27 HE2 MET 27 5.189 -0.096 -2.077 163 HE3 MET 27 HE3 MET 27 4.120 1.255 -1.697 164 H LEU 28 H LEU 28 10.995 -0.517 1.214 165 HA LEU 28 HA LEU 28 11.575 0.117 3.903 166 HB2 LEU 28 HB2 LEU 28 12.707 -1.659 2.655 167 HB3 LEU 28 HB3 LEU 28 13.430 -0.469 1.591 168 HG LEU 28 HG LEU 28 13.997 -0.385 4.536 169 HD11 LEU 28 HD11 LEU 28 15.407 -2.114 2.503 170 HD12 LEU 28 HD12 LEU 28 14.422 -2.691 3.848 171 HD13 LEU 28 HD13 LEU 28 15.930 -1.834 4.164 172 HD21 LEU 28 HD21 LEU 28 16.085 0.601 3.774 173 HD22 LEU 28 HD22 LEU 28 14.703 1.479 3.115 174 HD23 LEU 28 HD23 LEU 28 15.604 0.356 2.094 175 H ARG 29 H ARG 29 12.056 1.798 0.864 176 HA ARG 29 HA ARG 29 13.527 3.964 2.108 177 HB2 ARG 29 HB2 ARG 29 12.486 3.635 -0.714 178 HB3 ARG 29 HB3 ARG 29 13.531 4.941 -0.164 179 HG2 ARG 29 HG2 ARG 29 14.288 2.036 0.006 180 HG3 ARG 29 HG3 ARG 29 14.691 3.076 -1.361 181 HD2 ARG 29 HD2 ARG 29 15.442 3.745 1.476 182 HD3 ARG 29 HD3 ARG 29 16.481 2.802 0.409 183 HE ARG 29 HE ARG 29 16.554 4.737 -1.070 184 HH11 ARG 29 HH11 ARG 29 15.489 5.297 2.235 185 HH12 ARG 29 HH12 ARG 29 15.923 6.978 2.206 186 HH21 ARG 29 HH21 ARG 29 17.126 6.945 -1.082 187 HH22 ARG 29 HH22 ARG 29 16.837 7.916 0.328 188 H PHE 30 H PHE 30 10.264 3.326 1.017 189 HA PHE 30 HA PHE 30 9.406 6.054 1.358 190 HB2 PHE 30 HB2 PHE 30 8.119 4.970 -0.242 191 HB3 PHE 30 HB3 PHE 30 8.057 3.470 0.673 192 HD1 PHE 30 HD2 PHE 30 6.807 6.978 0.720 193 HD2 PHE 30 HD1 PHE 30 6.192 2.947 1.936 194 HE1 PHE 30 HE2 PHE 30 4.593 7.582 1.597 195 HE2 PHE 30 HE1 PHE 30 3.981 3.547 2.821 196 HZ PHE 30 HZ PHE 30 3.177 5.870 2.653 197 H ALA 31 H ALA 31 8.781 3.006 3.090 198 HA ALA 31 HA ALA 31 7.085 4.300 4.969 199 HB1 ALA 31 HB1 ALA 31 6.699 2.005 4.296 200 HB2 ALA 31 HB2 ALA 31 6.932 2.119 6.042 201 HB3 ALA 31 HB3 ALA 31 8.235 1.521 5.014 202 H GLU 32 H GLU 32 10.502 3.795 4.836 203 HA GLU 32 HA GLU 32 11.104 3.899 7.575 204 HB2 GLU 32 HB2 GLU 32 13.284 4.794 6.936 205 HB3 GLU 32 HB3 GLU 32 12.817 3.477 5.870 206 HG2 GLU 32 HG2 GLU 32 12.262 5.000 4.119 207 HG3 GLU 32 HG3 GLU 32 12.476 6.384 5.190 208 H GLN 33 H GLN 33 10.006 6.360 5.375 209 HA GLN 33 HA GLN 33 10.487 8.500 7.291 210 HB2 GLN 33 HB2 GLN 33 9.147 8.551 4.581 211 HB3 GLN 33 HB3 GLN 33 9.526 9.963 5.557 212 HG2 GLN 33 HG2 GLN 33 11.907 9.447 5.375 213 HG3 GLN 33 HG3 GLN 33 11.522 8.039 4.388 214 HE21 GLN 33 HE21 GLN 33 13.121 10.376 3.739 215 HE22 GLN 33 HE22 GLN 33 12.388 11.098 2.348 216 H ALA 34 H ALA 34 8.065 6.278 6.459 217 HA ALA 34 HA ALA 34 5.922 7.917 7.589 218 HB1 ALA 34 HB1 ALA 34 5.730 5.212 6.275 219 HB2 ALA 34 HB2 ALA 34 5.555 6.753 5.436 220 HB3 ALA 34 HB3 ALA 34 4.396 6.290 6.683 221 H GLY 35 H GLY 35 8.156 5.670 8.647 222 HA2 GLY 35 HA2 GLY 35 8.424 4.842 10.797 223 HA3 GLY 35 HA3 GLY 35 6.823 5.443 11.196 224 H MET 36 H MET 36 7.519 3.323 8.496 225 HA MET 36 HA MET 36 6.336 1.045 9.903 226 HB2 MET 36 HB2 MET 36 5.247 2.233 7.343 227 HB3 MET 36 HB3 MET 36 4.833 0.628 7.924 228 HG2 MET 36 HG2 MET 36 3.837 1.584 9.924 229 HG3 MET 36 HG3 MET 36 4.300 3.199 9.399 230 HE1 MET 36 HE1 MET 36 3.206 4.476 7.364 231 HE2 MET 36 HE2 MET 36 2.040 3.743 6.262 232 HE3 MET 36 HE3 MET 36 3.703 3.158 6.302 233 H GLN 37 H GLN 37 6.369 -0.927 8.374 234 HA GLN 37 HA GLN 37 8.377 -0.734 6.248 235 HB2 GLN 37 HB2 GLN 37 9.559 -1.581 8.256 236 HB3 GLN 37 HB3 GLN 37 8.384 -2.882 8.386 237 HG2 GLN 37 HG2 GLN 37 9.106 -3.707 6.173 238 HG3 GLN 37 HG3 GLN 37 10.346 -2.451 6.138 239 HE21 GLN 37 HE21 GLN 37 9.301 -5.418 7.625 240 HE22 GLN 37 HE22 GLN 37 10.812 -5.810 8.369 241 H VAL 38 H VAL 38 8.129 -2.467 4.647 242 HA VAL 38 HA VAL 38 5.363 -3.200 4.349 243 HB VAL 38 HB VAL 38 6.570 -2.506 2.372 244 HG11 VAL 38 HG11 VAL 38 8.376 -3.796 1.390 245 HG12 VAL 38 HG12 VAL 38 8.329 -4.925 2.747 246 HG13 VAL 38 HG13 VAL 38 8.816 -3.250 3.008 247 HG21 VAL 38 HG21 VAL 38 5.852 -5.430 2.269 248 HG22 VAL 38 HG22 VAL 38 6.040 -4.376 0.867 249 HG23 VAL 38 HG23 VAL 38 4.757 -4.067 2.036 250 H PHE 39 H PHE 39 4.429 -5.102 4.728 251 HA PHE 39 HA PHE 39 6.143 -7.303 5.668 252 HB2 PHE 39 HB2 PHE 39 4.604 -6.406 7.375 253 HB3 PHE 39 HB3 PHE 39 3.243 -6.721 6.311 254 HD1 PHE 39 HD1 PHE 39 2.481 -9.007 5.907 255 HD2 PHE 39 HD2 PHE 39 5.673 -8.171 8.594 256 HE1 PHE 39 HE1 PHE 39 2.251 -11.256 6.871 257 HE2 PHE 39 HE2 PHE 39 5.451 -10.422 9.560 258 HZ PHE 39 HZ PHE 39 3.739 -11.968 8.700 259 H PHE 40 H PHE 40 6.290 -8.972 4.369 260 HA PHE 40 HA PHE 40 4.038 -9.641 2.621 261 HB2 PHE 40 HB2 PHE 40 5.657 -10.116 0.775 262 HB3 PHE 40 HB3 PHE 40 5.551 -8.413 1.198 263 HD1 PHE 40 HD1 PHE 40 7.367 -7.451 2.713 264 HD2 PHE 40 HD2 PHE 40 7.711 -11.216 0.756 265 HE1 PHE 40 HE1 PHE 40 9.810 -7.376 3.000 266 HE2 PHE 40 HE2 PHE 40 10.151 -11.148 1.047 267 HZ PHE 40 HZ PHE 40 11.204 -9.225 2.171 268 H ASP 41 H ASP 41 3.432 -11.657 3.048 269 HA ASP 41 HA ASP 41 5.528 -13.578 3.802 270 HB2 ASP 41 HB2 ASP 41 4.008 -12.966 5.697 271 HB3 ASP 41 HB3 ASP 41 2.673 -13.659 4.776 272 H GLU 42 H GLU 42 2.147 -13.568 2.710 273 HA GLU 42 HA GLU 42 2.912 -15.627 0.747 274 HB2 GLU 42 HB2 GLU 42 0.235 -15.190 2.082 275 HB3 GLU 42 HB3 GLU 42 0.533 -16.350 0.796 276 HG2 GLU 42 HG2 GLU 42 2.112 -17.537 2.227 277 HG3 GLU 42 HG3 GLU 42 1.822 -16.370 3.516 278 H VAL 43 H VAL 43 3.491 -14.100 -0.763 279 HA VAL 43 HA VAL 43 1.282 -12.996 -2.295 280 HB VAL 43 HB VAL 43 2.540 -10.840 -2.647 281 HG11 VAL 43 HG11 VAL 43 1.815 -9.779 -0.555 282 HG12 VAL 43 HG12 VAL 43 1.594 -11.375 0.163 283 HG13 VAL 43 HG13 VAL 43 0.596 -10.877 -1.202 284 HG21 VAL 43 HG21 VAL 43 4.110 -11.765 -0.244 285 HG22 VAL 43 HG22 VAL 43 4.197 -10.163 -0.978 286 HG23 VAL 43 HG23 VAL 43 4.734 -11.579 -1.883 287 H LYS 44 H LYS 44 2.756 -11.708 -4.248 288 HA LYS 44 HA LYS 44 4.025 -13.837 -5.634 289 HB2 LYS 44 HB2 LYS 44 2.916 -11.976 -6.802 290 HB3 LYS 44 HB3 LYS 44 4.122 -10.866 -6.166 291 HG2 LYS 44 HG2 LYS 44 5.856 -11.898 -7.446 292 HG3 LYS 44 HG3 LYS 44 4.775 -13.206 -7.939 293 HD2 LYS 44 HD2 LYS 44 5.053 -11.569 -9.737 294 HD3 LYS 44 HD3 LYS 44 3.386 -11.620 -9.169 295 HE2 LYS 44 HE2 LYS 44 3.859 -9.634 -7.763 296 HE3 LYS 44 HE3 LYS 44 5.471 -9.564 -8.467 297 HZ1 LYS 44 HZ1 LYS 44 2.919 -9.306 -9.962 298 HZ2 LYS 44 HZ2 LYS 44 4.463 -9.248 -10.643 299 HZ3 LYS 44 HZ3 LYS 44 3.968 -8.039 -9.569 300 H LEU 45 H LEU 45 6.035 -14.427 -5.820 301 HA LEU 45 HA LEU 45 7.781 -13.669 -3.718 302 HB2 LEU 45 HB2 LEU 45 8.133 -15.522 -6.063 303 HB3 LEU 45 HB3 LEU 45 9.397 -15.233 -4.889 304 HG LEU 45 HG LEU 45 8.359 -17.276 -4.289 305 HD11 LEU 45 HD11 LEU 45 8.866 -15.797 -2.412 306 HD12 LEU 45 HD12 LEU 45 7.484 -16.838 -2.074 307 HD13 LEU 45 HD13 LEU 45 7.229 -15.144 -2.489 308 HD21 LEU 45 HD21 LEU 45 5.945 -17.484 -3.866 309 HD22 LEU 45 HD22 LEU 45 6.306 -17.096 -5.547 310 HD23 LEU 45 HD23 LEU 45 5.717 -15.840 -4.458 311 H ASP 46 H ASP 46 10.057 -13.282 -4.169 312 HA ASP 46 HA ASP 46 10.633 -10.775 -4.867 313 HB2 ASP 46 HB2 ASP 46 12.268 -12.263 -3.829 314 HB3 ASP 46 HB3 ASP 46 12.466 -13.132 -5.348 315 H GLY 47 H GLY 47 11.131 -9.552 -6.585 316 HA2 GLY 47 HA2 GLY 47 11.738 -9.478 -8.998 317 HA3 GLY 47 HA3 GLY 47 10.563 -10.772 -9.214 318 H MET 48 H MET 48 9.245 -9.009 -6.885 319 HA MET 48 HA MET 48 7.492 -7.594 -8.714 320 HB2 MET 48 HB2 MET 48 6.451 -8.848 -6.911 321 HB3 MET 48 HB3 MET 48 7.395 -7.972 -5.716 322 HG2 MET 48 HG2 MET 48 5.090 -7.174 -5.832 323 HG3 MET 48 HG3 MET 48 6.252 -5.919 -6.256 324 HE1 MET 48 HE1 MET 48 3.170 -5.040 -8.502 325 HE2 MET 48 HE2 MET 48 4.319 -4.437 -7.309 326 HE3 MET 48 HE3 MET 48 3.149 -5.678 -6.859 327 H GLN 49 H GLN 49 7.794 -5.555 -9.237 328 HA GLN 49 HA GLN 49 9.389 -3.850 -7.445 329 HB2 GLN 49 HB2 GLN 49 9.000 -3.663 -10.439 330 HB3 GLN 49 HB3 GLN 49 9.907 -2.511 -9.468 331 HG2 GLN 49 HG2 GLN 49 11.451 -4.321 -8.819 332 HG3 GLN 49 HG3 GLN 49 10.568 -5.418 -9.880 333 HE21 GLN 49 HE21 GLN 49 12.339 -5.802 -11.180 334 HE22 GLN 49 HE22 GLN 49 12.965 -4.613 -12.267 335 H ALA 50 H ALA 50 8.762 -1.642 -7.264 336 HA ALA 50 HA ALA 50 5.873 -1.294 -7.313 337 HB1 ALA 50 HB1 ALA 50 6.313 0.738 -6.024 338 HB2 ALA 50 HB2 ALA 50 8.048 0.508 -6.244 339 HB3 ALA 50 HB3 ALA 50 7.116 -0.656 -5.303 340 H ALA 51 H ALA 51 5.089 0.939 -8.009 341 HA ALA 51 HA ALA 51 5.904 1.335 -10.744 342 HB1 ALA 51 HB1 ALA 51 3.851 2.807 -9.091 343 HB2 ALA 51 HB2 ALA 51 3.539 1.405 -10.115 344 HB3 ALA 51 HB3 ALA 51 4.055 2.928 -10.838 345 H ALA 52 H ALA 52 6.545 3.379 -11.635 346 HA ALA 52 HA ALA 52 8.463 4.806 -10.096 347 HB1 ALA 52 HB1 ALA 52 8.656 4.521 -12.531 348 HB2 ALA 52 HB2 ALA 52 8.701 6.221 -12.065 349 HB3 ALA 52 HB3 ALA 52 7.230 5.533 -12.756 350 H LEU 53 H LEU 53 7.490 5.667 -8.333 351 HA LEU 53 HA LEU 53 4.957 6.995 -8.436 352 HB2 LEU 53 HB2 LEU 53 6.081 5.598 -6.556 353 HB3 LEU 53 HB3 LEU 53 6.895 7.093 -6.157 354 HG LEU 53 HG LEU 53 4.964 6.678 -4.714 355 HD11 LEU 53 HD11 LEU 53 5.681 8.952 -5.167 356 HD12 LEU 53 HD12 LEU 53 3.938 8.854 -4.899 357 HD13 LEU 53 HD13 LEU 53 4.572 9.033 -6.535 358 HD21 LEU 53 HD21 LEU 53 3.293 6.990 -7.194 359 HD22 LEU 53 HD22 LEU 53 2.716 6.777 -5.543 360 HD23 LEU 53 HD23 LEU 53 3.583 5.471 -6.349 361 H ASN 54 H ASN 54 4.641 9.032 -8.973 362 HA ASN 54 HA ASN 54 6.360 11.098 -7.880 363 HB2 ASN 54 HB2 ASN 54 6.140 10.530 -10.789 364 HB3 ASN 54 HB3 ASN 54 6.037 12.220 -10.311 365 HD21 ASN 54 HD21 ASN 54 7.799 11.973 -8.052 366 HD22 ASN 54 HD22 ASN 54 9.398 11.764 -8.681 367 H GLY 55 H GLY 55 4.743 11.888 -6.616 368 HA2 GLY 55 HA2 GLY 55 2.818 13.587 -7.730 369 HA3 GLY 55 HA3 GLY 55 2.036 12.054 -7.386 370 H SER 56 H SER 56 1.323 14.481 -6.185 371 HA SER 56 HA SER 56 2.332 14.288 -3.455 372 HB2 SER 56 HB2 SER 56 0.342 16.224 -4.663 373 HB3 SER 56 HB3 SER 56 1.040 16.328 -3.046 374 HG SER 56 HG SER 56 2.225 16.797 -5.546 375 H MET 57 H MET 57 1.486 12.579 -2.460 376 HA MET 57 HA MET 57 -1.442 12.344 -2.337 377 HB2 MET 57 HB2 MET 57 0.574 10.214 -2.987 378 HB3 MET 57 HB3 MET 57 -0.970 9.796 -2.260 379 HG2 MET 57 HG2 MET 57 -2.163 10.701 -4.109 380 HG3 MET 57 HG3 MET 57 -0.680 11.359 -4.805 381 HE1 MET 57 HE1 MET 57 1.435 9.055 -4.539 382 HE2 MET 57 HE2 MET 57 1.133 9.981 -6.009 383 HE3 MET 57 HE3 MET 57 1.185 8.218 -6.071 384 H SER 58 H SER 58 -2.112 10.868 -0.537 385 HA SER 58 HA SER 58 -0.376 11.200 1.802 386 HB2 SER 58 HB2 SER 58 -3.290 10.375 1.702 387 HB3 SER 58 HB3 SER 58 -2.374 10.862 3.130 388 HG SER 58 HG SER 58 -2.129 12.939 2.130 389 H VAL 59 H VAL 59 -0.944 9.174 3.433 390 HA VAL 59 HA VAL 59 0.513 7.043 2.402 391 HB VAL 59 HB VAL 59 0.215 7.507 4.809 392 HG11 VAL 59 HG11 VAL 59 -2.466 6.200 4.512 393 HG12 VAL 59 HG12 VAL 59 -2.173 7.898 4.884 394 HG13 VAL 59 HG13 VAL 59 -1.691 6.649 6.031 395 HG21 VAL 59 HG21 VAL 59 -0.415 4.699 3.951 396 HG22 VAL 59 HG22 VAL 59 0.204 5.169 5.534 397 HG23 VAL 59 HG23 VAL 59 1.188 5.419 4.092 398 H GLU 60 H GLU 60 -2.995 7.282 2.795 399 HA GLU 60 HA GLU 60 -3.581 4.715 1.813 400 HB2 GLU 60 HB2 GLU 60 -5.245 7.230 1.813 401 HB3 GLU 60 HB3 GLU 60 -5.868 5.633 1.422 402 HG2 GLU 60 HG2 GLU 60 -5.436 4.845 3.631 403 HG3 GLU 60 HG3 GLU 60 -4.565 6.321 4.043 404 H GLN 61 H GLN 61 -3.667 7.853 0.151 405 HA GLN 61 HA GLN 61 -4.441 6.857 -2.364 406 HB2 GLN 61 HB2 GLN 61 -2.890 9.370 -1.734 407 HB3 GLN 61 HB3 GLN 61 -3.778 9.049 -3.216 408 HG2 GLN 61 HG2 GLN 61 -5.857 9.157 -2.105 409 HG3 GLN 61 HG3 GLN 61 -5.090 9.115 -0.519 410 HE21 GLN 61 HE21 GLN 61 -6.026 11.014 0.158 411 HE22 GLN 61 HE22 GLN 61 -5.567 12.560 -0.473 412 H GLY 62 H GLY 62 -1.235 7.793 -1.135 413 HA2 GLY 62 HA2 GLY 62 0.240 7.317 -3.442 414 HA3 GLY 62 HA3 GLY 62 0.878 7.250 -1.808 415 H LEU 63 H LEU 63 -0.320 5.095 -0.711 416 HA LEU 63 HA LEU 63 1.196 2.963 -1.618 417 HB2 LEU 63 HB2 LEU 63 -1.096 3.300 0.218 418 HB3 LEU 63 HB3 LEU 63 -0.800 1.677 -0.352 419 HG LEU 63 HG LEU 63 0.234 2.078 1.815 420 HD11 LEU 63 HD11 LEU 63 1.254 0.470 0.307 421 HD12 LEU 63 HD12 LEU 63 2.471 1.275 1.294 422 HD13 LEU 63 HD13 LEU 63 2.254 1.742 -0.392 423 HD21 LEU 63 HD21 LEU 63 1.919 4.127 0.385 424 HD22 LEU 63 HD22 LEU 63 2.119 3.593 2.053 425 HD23 LEU 63 HD23 LEU 63 0.668 4.474 1.578 426 H ARG 64 H ARG 64 -2.174 3.756 -2.313 427 HA ARG 64 HA ARG 64 -2.930 1.411 -3.583 428 HB2 ARG 64 HB2 ARG 64 -3.868 4.247 -4.024 429 HB3 ARG 64 HB3 ARG 64 -4.650 2.843 -4.742 430 HG2 ARG 64 HG2 ARG 64 -5.240 1.988 -2.591 431 HG3 ARG 64 HG3 ARG 64 -4.278 3.224 -1.783 432 HD2 ARG 64 HD2 ARG 64 -6.550 3.890 -1.626 433 HD3 ARG 64 HD3 ARG 64 -5.781 4.941 -2.811 434 HE ARG 64 HE ARG 64 -6.825 3.374 -4.520 435 HH11 ARG 64 HH11 ARG 64 -8.239 3.989 -1.367 436 HH12 ARG 64 HH12 ARG 64 -9.860 3.677 -1.889 437 HH21 ARG 64 HH21 ARG 64 -8.980 2.966 -5.211 438 HH22 ARG 64 HH22 ARG 64 -10.285 3.115 -4.067 439 H ARG 65 H ARG 65 -1.501 4.328 -5.028 440 HA ARG 65 HA ARG 65 -1.449 3.108 -7.642 441 HB2 ARG 65 HB2 ARG 65 -1.751 5.575 -7.265 442 HB3 ARG 65 HB3 ARG 65 -0.075 5.646 -6.736 443 HG2 ARG 65 HG2 ARG 65 0.672 4.904 -8.920 444 HG3 ARG 65 HG3 ARG 65 -0.999 4.754 -9.460 445 HD2 ARG 65 HD2 ARG 65 -1.294 7.185 -9.054 446 HD3 ARG 65 HD3 ARG 65 0.419 7.292 -8.651 447 HE ARG 65 HE ARG 65 0.095 6.092 -11.193 448 HH11 ARG 65 HH11 ARG 65 -0.108 9.209 -9.598 449 HH12 ARG 65 HH12 ARG 65 0.218 10.109 -11.045 450 HH21 ARG 65 HH21 ARG 65 0.509 7.286 -13.099 451 HH22 ARG 65 HH22 ARG 65 0.568 9.020 -13.032 452 H LEU 66 H LEU 66 0.658 3.403 -4.925 453 HA LEU 66 HA LEU 66 3.109 3.036 -6.339 454 HB2 LEU 66 HB2 LEU 66 2.868 4.236 -4.174 455 HB3 LEU 66 HB3 LEU 66 2.531 2.705 -3.399 456 HG LEU 66 HG LEU 66 4.775 1.936 -3.772 457 HD11 LEU 66 HD11 LEU 66 5.179 4.466 -5.348 458 HD12 LEU 66 HD12 LEU 66 5.149 2.827 -5.997 459 HD13 LEU 66 HD13 LEU 66 6.446 3.323 -4.911 460 HD21 LEU 66 HD21 LEU 66 4.788 4.805 -2.846 461 HD22 LEU 66 HD22 LEU 66 6.037 3.604 -2.512 462 HD23 LEU 66 HD23 LEU 66 4.416 3.397 -1.850 463 H ILE 67 H ILE 67 1.022 0.871 -4.401 464 HA ILE 67 HA ILE 67 2.900 -1.296 -4.642 465 HB ILE 67 HB ILE 67 0.083 -1.249 -3.579 466 HG12 ILE 67 HG12 ILE 67 2.788 -1.388 -2.237 467 HG13 ILE 67 HG13 ILE 67 1.650 -0.047 -2.174 468 HG21 ILE 67 HG21 ILE 67 2.072 -3.518 -3.525 469 HG22 ILE 67 HG22 ILE 67 0.591 -3.463 -4.479 470 HG23 ILE 67 HG23 ILE 67 0.504 -3.498 -2.718 471 HD11 ILE 67 HD11 ILE 67 1.140 -2.791 -1.056 472 HD12 ILE 67 HD12 ILE 67 0.092 -1.381 -0.907 473 HD13 ILE 67 HD13 ILE 67 1.671 -1.396 -0.120 474 H GLY 68 H GLY 68 -0.492 -1.001 -5.748 475 HA2 GLY 68 HA2 GLY 68 0.208 -3.103 -7.694 476 HA3 GLY 68 HA3 GLY 68 -1.351 -2.995 -6.901 477 H GLY 69 H GLY 69 -2.219 -0.529 -7.262 478 HA2 GLY 69 HA2 GLY 69 -3.323 0.707 -8.895 479 HA3 GLY 69 HA3 GLY 69 -2.281 -0.021 -10.118 480 H ASN 70 H ASN 70 -2.818 -2.686 -9.000 481 HA ASN 70 HA ASN 70 -5.522 -3.186 -10.000 482 HB2 ASN 70 HB2 ASN 70 -4.731 -5.609 -9.964 483 HB3 ASN 70 HB3 ASN 70 -3.928 -4.560 -11.123 484 HD21 ASN 70 HD21 ASN 70 -3.578 -6.459 -8.263 485 HD22 ASN 70 HD22 ASN 70 -1.857 -6.327 -8.137 486 HA PRO 71 HA PRO 71 -7.208 -3.832 -6.053 487 HB2 PRO 71 HB2 PRO 71 -8.381 -6.424 -6.824 488 HB3 PRO 71 HB3 PRO 71 -9.180 -4.918 -6.369 489 HG2 PRO 71 HG2 PRO 71 -9.185 -5.784 -8.901 490 HG3 PRO 71 HG3 PRO 71 -9.075 -4.056 -8.510 491 HD2 PRO 71 HD2 PRO 71 -6.907 -5.958 -9.325 492 HD3 PRO 71 HD3 PRO 71 -7.187 -4.281 -9.839 493 H VAL 72 H VAL 72 -5.400 -4.179 -4.804 494 HA VAL 72 HA VAL 72 -5.348 -6.834 -3.565 495 HB VAL 72 HB VAL 72 -2.825 -5.202 -3.996 496 HG11 VAL 72 HG11 VAL 72 -3.220 -8.005 -2.955 497 HG12 VAL 72 HG12 VAL 72 -2.826 -6.585 -1.986 498 HG13 VAL 72 HG13 VAL 72 -1.671 -7.190 -3.175 499 HG21 VAL 72 HG21 VAL 72 -3.689 -7.700 -5.447 500 HG22 VAL 72 HG22 VAL 72 -2.106 -6.934 -5.576 501 HG23 VAL 72 HG23 VAL 72 -3.545 -6.086 -6.143 502 H ALA 73 H ALA 73 -4.793 -6.625 -1.219 503 HA ALA 73 HA ALA 73 -5.732 -3.969 -0.354 504 HB1 ALA 73 HB1 ALA 73 -7.258 -5.814 0.121 505 HB2 ALA 73 HB2 ALA 73 -6.659 -5.072 1.604 506 HB3 ALA 73 HB3 ALA 73 -5.998 -6.614 1.059 507 H PHE 74 H PHE 74 -4.528 -2.733 0.927 508 HA PHE 74 HA PHE 74 -2.212 -3.978 2.254 509 HB2 PHE 74 HB2 PHE 74 -1.015 -1.894 2.095 510 HB3 PHE 74 HB3 PHE 74 -1.614 -2.302 0.496 511 HD1 PHE 74 HD1 PHE 74 -3.899 -1.181 -0.151 512 HD2 PHE 74 HD2 PHE 74 -1.299 0.250 2.895 513 HE1 PHE 74 HE1 PHE 74 -4.916 1.047 -0.340 514 HE2 PHE 74 HE2 PHE 74 -2.306 2.495 2.705 515 HZ PHE 74 HZ PHE 74 -4.124 2.885 1.089 516 H ARG 75 H ARG 75 -2.217 -3.993 4.396 517 HA ARG 75 HA ARG 75 -4.208 -2.348 5.786 518 HB2 ARG 75 HB2 ARG 75 -4.286 -4.764 6.211 519 HB3 ARG 75 HB3 ARG 75 -2.616 -4.726 6.761 520 HG2 ARG 75 HG2 ARG 75 -3.242 -3.308 8.630 521 HG3 ARG 75 HG3 ARG 75 -4.915 -3.285 8.068 522 HD2 ARG 75 HD2 ARG 75 -5.076 -5.684 8.388 523 HD3 ARG 75 HD3 ARG 75 -3.385 -5.751 8.880 524 HE ARG 75 HE ARG 75 -4.705 -3.948 10.558 525 HH11 ARG 75 HH11 ARG 75 -4.722 -7.365 9.825 526 HH12 ARG 75 HH12 ARG 75 -5.203 -7.841 11.424 527 HH21 ARG 75 HH21 ARG 75 -5.356 -4.566 12.671 528 HH22 ARG 75 HH22 ARG 75 -5.553 -6.249 13.043 529 H LEU 76 H LEU 76 -3.573 -0.562 6.753 530 HA LEU 76 HA LEU 76 -0.738 -0.048 7.085 531 HB2 LEU 76 HB2 LEU 76 -3.174 1.693 7.414 532 HB3 LEU 76 HB3 LEU 76 -1.546 2.243 7.757 533 HG LEU 76 HG LEU 76 -2.535 1.308 5.063 534 HD11 LEU 76 HD11 LEU 76 -3.514 3.445 5.756 535 HD12 LEU 76 HD12 LEU 76 -2.382 3.648 4.420 536 HD13 LEU 76 HD13 LEU 76 -1.897 4.084 6.058 537 HD21 LEU 76 HD21 LEU 76 0.110 2.449 5.957 538 HD22 LEU 76 HD22 LEU 76 -0.378 2.249 4.273 539 HD23 LEU 76 HD23 LEU 76 -0.189 0.836 5.309 540 H GLN 77 H GLN 77 0.247 -0.571 8.894 541 HA GLN 77 HA GLN 77 -1.183 -0.132 11.431 542 HB2 GLN 77 HB2 GLN 77 1.208 -1.927 10.970 543 HB3 GLN 77 HB3 GLN 77 0.289 -1.764 12.459 544 HG2 GLN 77 HG2 GLN 77 -1.657 -2.739 11.393 545 HG3 GLN 77 HG3 GLN 77 -0.778 -2.858 9.868 546 HE21 GLN 77 HE21 GLN 77 0.965 -4.301 9.720 547 HE22 GLN 77 HE22 GLN 77 1.085 -5.671 10.773 548 HA PRO 78 HA PRO 78 1.533 3.462 11.054 549 HB2 PRO 78 HB2 PRO 78 0.361 3.908 13.756 550 HB3 PRO 78 HB3 PRO 78 0.508 5.024 12.395 551 HG2 PRO 78 HG2 PRO 78 -1.833 3.923 12.979 552 HG3 PRO 78 HG3 PRO 78 -1.328 4.129 11.292 553 HD2 PRO 78 HD2 PRO 78 -1.384 1.658 12.968 554 HD3 PRO 78 HD3 PRO 78 -1.736 1.861 11.239 555 H GLN 79 H GLN 79 1.346 1.326 13.858 556 HA GLN 79 HA GLN 79 4.043 2.192 14.650 557 HB2 GLN 79 HB2 GLN 79 1.977 0.667 16.247 558 HB3 GLN 79 HB3 GLN 79 3.545 1.196 16.837 559 HG2 GLN 79 HG2 GLN 79 2.894 3.514 16.574 560 HG3 GLN 79 HG3 GLN 79 1.340 3.018 15.904 561 HE21 GLN 79 HE21 GLN 79 -0.209 2.113 17.263 562 HE22 GLN 79 HE22 GLN 79 -0.125 2.284 18.981 563 H GLY 80 H GLY 80 2.981 0.079 12.590 564 HA2 GLY 80 HA2 GLY 80 4.889 -1.980 13.443 565 HA3 GLY 80 HA3 GLY 80 3.261 -2.459 12.995 566 H GLN 81 H GLN 81 2.847 -2.883 10.931 567 HA GLN 81 HA GLN 81 4.803 -2.095 8.902 568 HB2 GLN 81 HB2 GLN 81 3.959 -4.941 9.467 569 HB3 GLN 81 HB3 GLN 81 4.887 -4.432 8.064 570 HG2 GLN 81 HG2 GLN 81 6.690 -3.682 9.535 571 HG3 GLN 81 HG3 GLN 81 5.761 -4.212 10.937 572 HE21 GLN 81 HE21 GLN 81 5.496 -6.414 11.314 573 HE22 GLN 81 HE22 GLN 81 6.505 -7.599 10.561 574 H ILE 82 H ILE 82 4.093 -2.416 6.737 575 HA ILE 82 HA ILE 82 1.210 -2.158 6.409 576 HB ILE 82 HB ILE 82 3.382 -1.988 4.306 577 HG12 ILE 82 HG12 ILE 82 2.003 0.271 5.776 578 HG13 ILE 82 HG13 ILE 82 3.638 -0.286 6.112 579 HG21 ILE 82 HG21 ILE 82 1.177 -2.449 3.392 580 HG22 ILE 82 HG22 ILE 82 1.672 -0.802 2.996 581 HG23 ILE 82 HG23 ILE 82 0.501 -1.087 4.285 582 HD11 ILE 82 HD11 ILE 82 4.318 0.347 3.860 583 HD12 ILE 82 HD12 ILE 82 3.642 1.717 4.741 584 HD13 ILE 82 HD13 ILE 82 2.676 0.894 3.516 585 H VAL 83 H VAL 83 0.275 -4.125 6.518 586 HA VAL 83 HA VAL 83 1.573 -6.451 5.378 587 HB VAL 83 HB VAL 83 -1.092 -6.196 6.784 588 HG11 VAL 83 HG11 VAL 83 -1.034 -8.634 6.960 589 HG12 VAL 83 HG12 VAL 83 0.453 -8.671 6.014 590 HG13 VAL 83 HG13 VAL 83 -1.048 -8.117 5.274 591 HG21 VAL 83 HG21 VAL 83 0.787 -5.691 8.243 592 HG22 VAL 83 HG22 VAL 83 1.574 -7.198 7.774 593 HG23 VAL 83 HG23 VAL 83 0.061 -7.238 8.679 594 H LEU 84 H LEU 84 1.377 -6.900 3.298 595 HA LEU 84 HA LEU 84 -0.957 -5.976 1.830 596 HB2 LEU 84 HB2 LEU 84 1.402 -5.845 0.908 597 HB3 LEU 84 HB3 LEU 84 1.355 -7.594 0.765 598 HG LEU 84 HG LEU 84 -0.662 -7.339 -0.709 599 HD11 LEU 84 HD11 LEU 84 -0.976 -5.107 -1.747 600 HD12 LEU 84 HD12 LEU 84 0.106 -4.435 -0.528 601 HD13 LEU 84 HD13 LEU 84 -1.419 -5.170 -0.042 602 HD21 LEU 84 HD21 LEU 84 1.876 -6.012 -1.647 603 HD22 LEU 84 HD22 LEU 84 0.605 -6.665 -2.680 604 HD23 LEU 84 HD23 LEU 84 1.544 -7.744 -1.649 605 H SER 85 H SER 85 -2.620 -7.225 1.269 606 HA SER 85 HA SER 85 -2.373 -10.128 1.492 607 HB2 SER 85 HB2 SER 85 -4.630 -10.078 2.741 608 HB3 SER 85 HB3 SER 85 -3.184 -9.654 3.658 609 HG SER 85 HG SER 85 -3.781 -7.397 2.965 610 H ARG 86 H ARG 86 -4.049 -11.282 0.381 611 HA ARG 86 HA ARG 86 -5.139 -9.727 -1.841 612 HB2 ARG 86 HB2 ARG 86 -3.776 -11.955 -2.036 613 HB3 ARG 86 HB3 ARG 86 -5.298 -12.717 -1.610 614 HG2 ARG 86 HG2 ARG 86 -4.886 -10.896 -3.977 615 HG3 ARG 86 HG3 ARG 86 -4.883 -12.656 -4.038 616 HD2 ARG 86 HD2 ARG 86 -7.193 -10.877 -3.268 617 HD3 ARG 86 HD3 ARG 86 -7.031 -11.813 -4.753 618 HE ARG 86 HE ARG 86 -6.844 -13.567 -2.579 619 HH11 ARG 86 HH11 ARG 86 -9.205 -11.528 -4.166 620 HH12 ARG 86 HH12 ARG 86 -10.559 -12.482 -3.656 621 HH21 ARG 86 HH21 ARG 86 -8.627 -14.819 -1.888 622 HH22 ARG 86 HH22 ARG 86 -10.233 -14.349 -2.343 623 H LEU 87 H LEU 87 -6.973 -8.801 -1.141 624 HA LEU 87 HA LEU 87 -9.035 -10.550 -0.005 625 HB2 LEU 87 HB2 LEU 87 -8.495 -7.621 0.203 626 HB3 LEU 87 HB3 LEU 87 -10.155 -8.170 0.312 627 HG LEU 87 HG LEU 87 -9.495 -9.643 2.213 628 HD11 LEU 87 HD11 LEU 87 -7.370 -9.273 3.325 629 HD12 LEU 87 HD12 LEU 87 -6.882 -8.154 2.055 630 HD13 LEU 87 HD13 LEU 87 -7.118 -9.861 1.682 631 HD21 LEU 87 HD21 LEU 87 -9.313 -7.842 3.848 632 HD22 LEU 87 HD22 LEU 87 -10.504 -7.467 2.603 633 HD23 LEU 87 HD23 LEU 87 -8.912 -6.708 2.558 634 HA PRO 88 HA PRO 88 -11.559 -10.516 -3.605 635 HB2 PRO 88 HB2 PRO 88 -13.734 -9.190 -2.070 636 HB3 PRO 88 HB3 PRO 88 -13.761 -10.698 -2.992 637 HG2 PRO 88 HG2 PRO 88 -13.722 -10.746 -0.336 638 HG3 PRO 88 HG3 PRO 88 -12.781 -11.917 -1.279 639 HD2 PRO 88 HD2 PRO 88 -11.859 -9.469 0.167 640 HD3 PRO 88 HD3 PRO 88 -11.074 -11.054 0.021 641 H THR 89 H THR 89 -11.835 -9.245 -5.325 642 HA THR 89 HA THR 89 -11.038 -6.583 -5.411 643 HB THR 89 HB THR 89 -12.876 -7.997 -7.355 644 HG1 THR 89 HG1 THR 89 -10.898 -8.544 -8.410 645 HG21 THR 89 HG21 THR 89 -12.758 -5.582 -7.722 646 HG22 THR 89 HG22 THR 89 -11.932 -6.456 -9.014 647 HG23 THR 89 HG23 THR 89 -10.997 -5.666 -7.744 648 H ALA 90 H ALA 90 -12.050 -4.696 -5.085 649 HA ALA 90 HA ALA 90 -14.509 -4.593 -3.725 650 HB1 ALA 90 HB1 ALA 90 -12.729 -2.923 -3.451 651 HB2 ALA 90 HB2 ALA 90 -14.278 -2.180 -3.851 652 HB3 ALA 90 HB3 ALA 90 -13.032 -2.345 -5.090 653 H ASN 91 H ASN 91 -16.364 -5.125 -4.650 654 HA ASN 91 HA ASN 91 -16.972 -4.127 -7.348 655 HB2 ASN 91 HB2 ASN 91 -18.399 -6.256 -5.734 656 HB3 ASN 91 HB3 ASN 91 -18.782 -5.785 -7.383 657 HD21 ASN 91 HD21 ASN 91 -18.085 -8.375 -6.330 658 HD22 ASN 91 HD22 ASN 91 -16.677 -8.892 -7.192 659 H GLY 92 H GLY 92 -17.225 -3.066 -4.358 660 HA2 GLY 92 HA2 GLY 92 -20.072 -2.712 -4.055 661 HA3 GLY 92 HA3 GLY 92 -18.821 -2.134 -2.972 662 H ASP 93 H ASP 93 -18.825 -1.417 -6.384 663 HA ASP 93 HA ASP 93 -19.183 1.414 -5.770 664 HB2 ASP 93 HB2 ASP 93 -18.322 -0.003 -8.295 665 HB3 ASP 93 HB3 ASP 93 -18.558 1.737 -8.184 666 H GLY 94 H GLY 94 -21.324 -0.686 -5.793 667 HA2 GLY 94 HA2 GLY 94 -23.631 -0.309 -6.162 668 HA3 GLY 94 HA3 GLY 94 -23.217 0.779 -7.478 669 H GLY 95 H GLY 95 -21.209 -1.482 -8.237 670 HA2 GLY 95 HA2 GLY 95 -22.914 -2.813 -10.112 671 HA3 GLY 95 HA3 GLY 95 -21.211 -3.153 -9.829 672 H ALA 96 H ALA 96 -21.492 -3.606 -7.014 673 HA ALA 96 HA ALA 96 -23.378 -5.797 -6.718 674 HB1 ALA 96 HB1 ALA 96 -20.424 -6.216 -6.284 675 HB2 ALA 96 HB2 ALA 96 -21.338 -6.835 -7.658 676 HB3 ALA 96 HB3 ALA 96 -21.706 -7.399 -6.027 677 H LEU 97 H LEU 97 -23.444 -6.554 -4.452 678 HA LEU 97 HA LEU 97 -22.749 -4.374 -2.597 679 HB2 LEU 97 HB2 LEU 97 -24.892 -6.492 -2.353 680 HB3 LEU 97 HB3 LEU 97 -24.565 -5.239 -1.173 681 HG LEU 97 HG LEU 97 -25.552 -4.768 -3.989 682 HD11 LEU 97 HD11 LEU 97 -27.238 -5.814 -2.572 683 HD12 LEU 97 HD12 LEU 97 -27.649 -4.134 -2.913 684 HD13 LEU 97 HD13 LEU 97 -26.981 -4.577 -1.342 685 HD21 LEU 97 HD21 LEU 97 -25.883 -2.456 -3.228 686 HD22 LEU 97 HD22 LEU 97 -24.184 -2.925 -3.192 687 HD23 LEU 97 HD23 LEU 97 -25.113 -2.860 -1.694 688 H ALA 98 H ALA 98 -22.993 -5.616 -0.223 689 HA ALA 98 HA ALA 98 -22.041 -6.975 1.314 690 HB1 ALA 98 HB1 ALA 98 -21.135 -9.148 0.719 691 HB2 ALA 98 HB2 ALA 98 -21.178 -8.716 -0.990 692 HB3 ALA 98 HB3 ALA 98 -22.682 -8.879 -0.084 693 H LEU 99 H LEU 99 -19.916 -6.761 -1.539 694 HA LEU 99 HA LEU 99 -17.586 -6.470 0.095 695 HB2 LEU 99 HB2 LEU 99 -18.089 -6.356 -2.853 696 HB3 LEU 99 HB3 LEU 99 -16.556 -5.814 -2.203 697 HG LEU 99 HG LEU 99 -16.305 -8.070 -2.969 698 HD11 LEU 99 HD11 LEU 99 -15.539 -9.178 -0.959 699 HD12 LEU 99 HD12 LEU 99 -16.482 -8.074 0.038 700 HD13 LEU 99 HD13 LEU 99 -15.125 -7.464 -0.909 701 HD21 LEU 99 HD21 LEU 99 -18.640 -8.756 -2.922 702 HD22 LEU 99 HD22 LEU 99 -18.605 -8.785 -1.159 703 HD23 LEU 99 HD23 LEU 99 -17.620 -9.922 -2.081 704 H ASP 100 H ASP 100 -20.026 -4.388 -0.473 705 HA ASP 100 HA ASP 100 -18.681 -1.993 -1.133 706 HB2 ASP 100 HB2 ASP 100 -20.674 -0.834 -0.263 707 HB3 ASP 100 HB3 ASP 100 -21.101 -2.157 -1.341 708 H SER 101 H SER 101 -19.118 -3.696 1.884 709 HA SER 101 HA SER 101 -18.318 -1.593 3.601 710 HB2 SER 101 HB2 SER 101 -17.805 -3.536 5.183 711 HB3 SER 101 HB3 SER 101 -19.462 -3.420 4.591 712 HG SER 101 HG SER 101 -17.925 -5.497 4.434 713 H LEU 102 H LEU 102 -16.580 -3.927 1.683 714 HA LEU 102 HA LEU 102 -14.015 -3.246 2.851 715 HB2 LEU 102 HB2 LEU 102 -14.442 -5.543 2.106 716 HB3 LEU 102 HB3 LEU 102 -14.729 -4.971 0.474 717 HG LEU 102 HG LEU 102 -12.371 -4.221 0.350 718 HD11 LEU 102 HD11 LEU 102 -12.137 -5.578 3.032 719 HD12 LEU 102 HD12 LEU 102 -11.952 -3.853 2.711 720 HD13 LEU 102 HD13 LEU 102 -10.789 -5.002 2.052 721 HD21 LEU 102 HD21 LEU 102 -13.011 -6.398 -0.523 722 HD22 LEU 102 HD22 LEU 102 -12.764 -7.124 1.065 723 HD23 LEU 102 HD23 LEU 102 -11.394 -6.457 0.177 724 H THR 103 H THR 103 -15.985 -2.406 0.129 725 HA THR 103 HA THR 103 -14.019 -1.137 -1.452 726 HB THR 103 HB THR 103 -16.978 -0.520 -1.310 727 HG1 THR 103 HG1 THR 103 -16.324 -2.777 -1.784 728 HG21 THR 103 HG21 THR 103 -15.698 1.192 -2.495 729 HG22 THR 103 HG22 THR 103 -16.681 0.254 -3.622 730 HG23 THR 103 HG23 THR 103 -14.949 -0.050 -3.497 731 H VAL 104 H VAL 104 -16.402 0.177 0.833 732 HA VAL 104 HA VAL 104 -14.560 2.428 1.259 733 HB VAL 104 HB VAL 104 -16.672 3.267 0.468 734 HG11 VAL 104 HG11 VAL 104 -18.119 1.396 1.000 735 HG12 VAL 104 HG12 VAL 104 -18.786 2.895 1.648 736 HG13 VAL 104 HG13 VAL 104 -17.977 1.754 2.721 737 HG21 VAL 104 HG21 VAL 104 -15.563 4.585 2.180 738 HG22 VAL 104 HG22 VAL 104 -16.433 3.708 3.437 739 HG23 VAL 104 HG23 VAL 104 -17.315 4.738 2.311 740 H LEU 105 H LEU 105 -13.259 1.412 2.705 741 HA LEU 105 HA LEU 105 -14.492 0.391 5.178 742 HB2 LEU 105 HB2 LEU 105 -13.205 -1.267 3.932 743 HB3 LEU 105 HB3 LEU 105 -11.811 -0.209 3.921 744 HG LEU 105 HG LEU 105 -11.693 -0.410 6.401 745 HD11 LEU 105 HD11 LEU 105 -14.021 -0.962 6.838 746 HD12 LEU 105 HD12 LEU 105 -12.947 -2.196 7.495 747 HD13 LEU 105 HD13 LEU 105 -13.827 -2.499 5.997 748 HD21 LEU 105 HD21 LEU 105 -10.799 -2.689 6.406 749 HD22 LEU 105 HD22 LEU 105 -10.293 -1.792 4.974 750 HD23 LEU 105 HD23 LEU 105 -11.578 -2.995 4.854 751 H GLY 106 H GLY 106 -12.345 2.707 3.821 752 HA2 GLY 106 HA2 GLY 106 -11.932 4.702 5.222 753 HA3 GLY 106 HA3 GLY 106 -11.550 3.580 6.523 754 H ALA 107 H ALA 107 -9.451 3.718 6.913 755 HA ALA 107 HA ALA 107 -7.557 4.212 4.774 756 HB1 ALA 107 HB1 ALA 107 -5.900 4.363 6.552 757 HB2 ALA 107 HB2 ALA 107 -7.087 3.799 7.727 758 HB3 ALA 107 HB3 ALA 107 -7.307 5.356 6.929 759 H GLY 108 H GLY 108 -6.744 2.597 3.612 760 HA2 GLY 108 HA2 GLY 108 -5.339 0.670 3.482 761 HA3 GLY 108 HA3 GLY 108 -6.027 0.108 4.998 762 H GLY 109 H GLY 109 -6.802 0.713 1.612 763 HA2 GLY 109 HA2 GLY 109 -8.693 -1.549 1.736 764 HA3 GLY 109 HA3 GLY 109 -9.020 -0.102 0.789 765 H ASN 110 H ASN 110 -9.167 -1.279 -1.143 766 HA ASN 110 HA ASN 110 -7.027 -2.900 -2.104 767 HB2 ASN 110 HB2 ASN 110 -9.459 -1.677 -3.376 768 HB3 ASN 110 HB3 ASN 110 -8.220 -2.432 -4.372 769 HD21 ASN 110 HD21 ASN 110 -10.721 -2.951 -2.018 770 HD22 ASN 110 HD22 ASN 110 -10.780 -4.674 -2.175 771 H ASN 111 H ASN 111 -5.300 -2.397 -3.326 772 HA ASN 111 HA ASN 111 -4.464 0.328 -3.476 773 HB2 ASN 111 HB2 ASN 111 -3.231 -2.224 -4.523 774 HB3 ASN 111 HB3 ASN 111 -2.486 -0.645 -4.759 775 HD21 ASN 111 HD21 ASN 111 -2.983 -3.249 -2.625 776 HD22 ASN 111 HD22 ASN 111 -2.113 -2.609 -1.280 777 H ALA 112 H ALA 112 -6.582 0.710 -4.747 778 HA ALA 112 HA ALA 112 -5.755 1.170 -7.490 779 HB1 ALA 112 HB1 ALA 112 -7.815 0.244 -8.443 780 HB2 ALA 112 HB2 ALA 112 -8.299 -0.328 -6.847 781 HB3 ALA 112 HB3 ALA 112 -6.870 -1.004 -7.630 Start of MODEL 2 1 H1 SER 6 H1 SER 6 -8.382 5.075 6.243 2 H2 SER 6 H2 SER 6 -8.402 6.249 5.027 3 H3 SER 6 H3 SER 6 -9.616 6.232 6.209 4 HA SER 6 HA SER 6 -7.978 6.709 7.917 5 HB2 SER 6 HB2 SER 6 -6.081 7.131 5.600 6 HB3 SER 6 HB3 SER 6 -5.708 7.236 7.321 7 HG SER 6 HG SER 6 -5.116 5.228 6.978 8 H MET 7 H MET 7 -9.688 8.275 7.927 9 HA MET 7 HA MET 7 -9.961 10.321 6.023 10 HB2 MET 7 HB2 MET 7 -11.524 11.336 7.529 11 HB3 MET 7 HB3 MET 7 -11.733 9.597 7.614 12 HG2 MET 7 HG2 MET 7 -10.234 11.268 9.619 13 HG3 MET 7 HG3 MET 7 -11.882 10.677 9.807 14 HE1 MET 7 HE1 MET 7 -9.852 8.529 12.385 15 HE2 MET 7 HE2 MET 7 -11.214 9.626 12.158 16 HE3 MET 7 HE3 MET 7 -9.564 10.214 11.954 17 H ALA 8 H ALA 8 -8.022 10.125 8.939 18 HA ALA 8 HA ALA 8 -7.444 12.943 8.989 19 HB1 ALA 8 HB1 ALA 8 -5.959 12.430 10.816 20 HB2 ALA 8 HB2 ALA 8 -6.036 10.710 10.444 21 HB3 ALA 8 HB3 ALA 8 -7.470 11.548 11.034 22 H GLN 9 H GLN 9 -5.869 10.025 7.817 23 HA GLN 9 HA GLN 9 -3.436 11.392 7.124 24 HB2 GLN 9 HB2 GLN 9 -4.427 8.641 6.368 25 HB3 GLN 9 HB3 GLN 9 -2.807 9.252 6.060 26 HG2 GLN 9 HG2 GLN 9 -2.452 9.497 8.470 27 HG3 GLN 9 HG3 GLN 9 -4.066 8.853 8.765 28 HE21 GLN 9 HE21 GLN 9 -1.477 7.858 9.619 29 HE22 GLN 9 HE22 GLN 9 -1.356 6.244 9.013 30 H ALA 10 H ALA 10 -6.475 10.867 5.630 31 HA ALA 10 HA ALA 10 -5.559 11.307 2.934 32 HB1 ALA 10 HB1 ALA 10 -7.930 11.367 2.357 33 HB2 ALA 10 HB2 ALA 10 -8.354 11.380 4.068 34 HB3 ALA 10 HB3 ALA 10 -7.561 9.970 3.367 35 H ALA 11 H ALA 11 -6.214 13.266 5.616 36 HA ALA 11 HA ALA 11 -6.942 15.610 4.053 37 HB1 ALA 11 HB1 ALA 11 -7.174 16.735 6.200 38 HB2 ALA 11 HB2 ALA 11 -6.512 15.323 7.025 39 HB3 ALA 11 HB3 ALA 11 -8.063 15.212 6.193 40 H GLN 12 H GLN 12 -4.172 14.056 4.576 41 HA GLN 12 HA GLN 12 -2.601 16.531 4.443 42 HB2 GLN 12 HB2 GLN 12 -0.768 15.271 5.654 43 HB3 GLN 12 HB3 GLN 12 -2.155 15.728 6.633 44 HG2 GLN 12 HG2 GLN 12 -3.047 13.458 6.406 45 HG3 GLN 12 HG3 GLN 12 -1.623 13.005 5.469 46 HE21 GLN 12 HE21 GLN 12 0.327 12.710 6.507 47 HE22 GLN 12 HE22 GLN 12 0.461 12.620 8.230 48 H GLN 13 H GLN 13 -0.999 16.551 2.932 49 HA GLN 13 HA GLN 13 -0.704 14.111 1.318 50 HB2 GLN 13 HB2 GLN 13 -0.956 16.958 0.335 51 HB3 GLN 13 HB3 GLN 13 -0.570 15.577 -0.683 52 HG2 GLN 13 HG2 GLN 13 -2.715 14.576 -0.204 53 HG3 GLN 13 HG3 GLN 13 -3.100 15.884 0.915 54 HE21 GLN 13 HE21 GLN 13 -3.625 17.900 0.114 55 HE22 GLN 13 HE22 GLN 13 -4.060 18.149 -1.540 56 H LYS 14 H LYS 14 1.296 13.636 0.576 57 HA LYS 14 HA LYS 14 3.481 15.457 1.345 58 HB2 LYS 14 HB2 LYS 14 3.456 12.433 1.446 59 HB3 LYS 14 HB3 LYS 14 4.868 13.435 1.742 60 HG2 LYS 14 HG2 LYS 14 2.341 13.470 3.378 61 HG3 LYS 14 HG3 LYS 14 3.830 12.628 3.810 62 HD2 LYS 14 HD2 LYS 14 5.023 14.781 3.814 63 HD3 LYS 14 HD3 LYS 14 3.511 15.606 3.427 64 HE2 LYS 14 HE2 LYS 14 3.962 15.760 5.804 65 HE3 LYS 14 HE3 LYS 14 2.535 14.767 5.518 66 HZ1 LYS 14 HZ1 LYS 14 3.862 12.795 5.837 67 HZ2 LYS 14 HZ2 LYS 14 4.011 13.803 7.185 68 HZ3 LYS 14 HZ3 LYS 14 5.262 13.719 6.051 69 H ASN 15 H ASN 15 5.423 15.210 0.047 70 HA ASN 15 HA ASN 15 4.743 14.825 -2.757 71 HB2 ASN 15 HB2 ASN 15 5.962 16.870 -1.913 72 HB3 ASN 15 HB3 ASN 15 7.336 15.831 -1.561 73 HD21 ASN 15 HD21 ASN 15 7.133 18.090 -3.366 74 HD22 ASN 15 HD22 ASN 15 7.561 17.501 -4.935 75 H PHE 16 H PHE 16 4.824 12.720 -3.317 76 HA PHE 16 HA PHE 16 7.021 11.072 -2.290 77 HB2 PHE 16 HB2 PHE 16 4.549 10.213 -3.802 78 HB3 PHE 16 HB3 PHE 16 5.722 9.152 -3.033 79 HD1 PHE 16 HD1 PHE 16 6.090 9.796 -0.442 80 HD2 PHE 16 HD2 PHE 16 2.578 10.477 -2.721 81 HE1 PHE 16 HE1 PHE 16 4.762 9.832 1.631 82 HE2 PHE 16 HE2 PHE 16 1.235 10.513 -0.662 83 HZ PHE 16 HZ PHE 16 2.328 10.191 1.522 84 H ASN 17 H ASN 17 8.620 10.399 -3.554 85 HA ASN 17 HA ASN 17 8.278 10.438 -6.460 86 HB2 ASN 17 HB2 ASN 17 9.386 12.573 -5.787 87 HB3 ASN 17 HB3 ASN 17 10.686 11.629 -5.064 88 HD21 ASN 17 HD21 ASN 17 12.280 12.367 -6.404 89 HD22 ASN 17 HD22 ASN 17 12.350 11.987 -8.089 90 H ILE 18 H ILE 18 8.254 8.214 -6.494 91 HA ILE 18 HA ILE 18 10.590 6.842 -5.321 92 HB ILE 18 HB ILE 18 8.000 5.474 -6.009 93 HG12 ILE 18 HG12 ILE 18 7.500 7.327 -4.425 94 HG13 ILE 18 HG13 ILE 18 7.221 5.736 -3.729 95 HG21 ILE 18 HG21 ILE 18 10.222 4.805 -4.087 96 HG22 ILE 18 HG22 ILE 18 9.931 4.054 -5.656 97 HG23 ILE 18 HG23 ILE 18 8.767 3.842 -4.347 98 HD11 ILE 18 HD11 ILE 18 9.636 7.464 -3.241 99 HD12 ILE 18 HD12 ILE 18 9.311 5.892 -2.507 100 HD13 ILE 18 HD13 ILE 18 8.264 7.267 -2.150 101 H ALA 19 H ALA 19 11.998 6.143 -6.808 102 HA ALA 19 HA ALA 19 11.221 5.533 -9.520 103 HB1 ALA 19 HB1 ALA 19 13.474 6.378 -9.037 104 HB2 ALA 19 HB2 ALA 19 13.547 4.779 -9.777 105 HB3 ALA 19 HB3 ALA 19 13.798 4.960 -8.040 106 H ALA 20 H ALA 20 11.132 3.381 -10.410 107 HA ALA 20 HA ALA 20 9.759 1.619 -8.680 108 HB1 ALA 20 HB1 ALA 20 9.695 0.089 -10.581 109 HB2 ALA 20 HB2 ALA 20 10.901 1.068 -11.418 110 HB3 ALA 20 HB3 ALA 20 9.304 1.735 -11.079 111 H GLN 21 H GLN 21 10.846 0.843 -7.036 112 HA GLN 21 HA GLN 21 13.318 -0.671 -7.486 113 HB2 GLN 21 HB2 GLN 21 12.085 0.478 -4.971 114 HB3 GLN 21 HB3 GLN 21 13.532 -0.521 -4.990 115 HG2 GLN 21 HG2 GLN 21 14.804 1.111 -6.030 116 HG3 GLN 21 HG3 GLN 21 13.388 1.961 -6.644 117 HE21 GLN 21 HE21 GLN 21 12.270 3.346 -5.312 118 HE22 GLN 21 HE22 GLN 21 12.921 3.927 -3.816 119 HA PRO 22 HA PRO 22 11.277 -4.560 -6.309 120 HB2 PRO 22 HB2 PRO 22 13.157 -4.733 -4.011 121 HB3 PRO 22 HB3 PRO 22 12.821 -5.918 -5.278 122 HG2 PRO 22 HG2 PRO 22 15.094 -4.515 -5.269 123 HG3 PRO 22 HG3 PRO 22 14.266 -4.919 -6.782 124 HD2 PRO 22 HD2 PRO 22 14.372 -2.327 -5.312 125 HD3 PRO 22 HD3 PRO 22 14.348 -2.634 -7.060 126 H LEU 23 H LEU 23 9.562 -5.013 -4.917 127 HA LEU 23 HA LEU 23 8.388 -2.781 -3.787 128 HB2 LEU 23 HB2 LEU 23 7.678 -5.468 -4.233 129 HB3 LEU 23 HB3 LEU 23 7.301 -5.124 -2.558 130 HG LEU 23 HG LEU 23 6.323 -3.532 -4.920 131 HD11 LEU 23 HD11 LEU 23 5.291 -5.722 -4.846 132 HD12 LEU 23 HD12 LEU 23 4.130 -4.481 -4.381 133 HD13 LEU 23 HD13 LEU 23 4.881 -5.492 -3.147 134 HD21 LEU 23 HD21 LEU 23 5.692 -3.311 -1.985 135 HD22 LEU 23 HD22 LEU 23 4.849 -2.447 -3.270 136 HD23 LEU 23 HD23 LEU 23 6.557 -2.130 -2.966 137 H GLN 24 H GLN 24 10.123 -5.379 -2.115 138 HA GLN 24 HA GLN 24 9.593 -4.558 0.510 139 HB2 GLN 24 HB2 GLN 24 11.930 -6.045 -0.674 140 HB3 GLN 24 HB3 GLN 24 11.744 -5.778 1.053 141 HG2 GLN 24 HG2 GLN 24 9.697 -7.039 1.077 142 HG3 GLN 24 HG3 GLN 24 9.740 -7.208 -0.677 143 HE21 GLN 24 HE21 GLN 24 9.718 -9.232 1.458 144 HE22 GLN 24 HE22 GLN 24 11.113 -10.218 1.180 145 H SER 25 H SER 25 12.154 -3.617 -1.731 146 HA SER 25 HA SER 25 13.471 -1.950 0.209 147 HB2 SER 25 HB2 SER 25 14.756 -3.083 -1.562 148 HB3 SER 25 HB3 SER 25 13.879 -2.166 -2.785 149 HG SER 25 HG SER 25 14.749 -0.310 -1.308 150 H ALA 26 H ALA 26 11.081 -1.573 -2.289 151 HA ALA 26 HA ALA 26 11.244 1.185 -2.735 152 HB1 ALA 26 HB1 ALA 26 9.944 -0.359 -4.130 153 HB2 ALA 26 HB2 ALA 26 8.973 1.009 -3.584 154 HB3 ALA 26 HB3 ALA 26 8.791 -0.567 -2.811 155 H MET 27 H MET 27 9.070 -0.601 -0.544 156 HA MET 27 HA MET 27 8.030 1.744 0.674 157 HB2 MET 27 HB2 MET 27 8.117 -1.081 1.726 158 HB3 MET 27 HB3 MET 27 7.169 0.224 2.417 159 HG2 MET 27 HG2 MET 27 5.910 0.376 0.296 160 HG3 MET 27 HG3 MET 27 6.819 -1.011 -0.303 161 HE1 MET 27 HE1 MET 27 3.274 -2.535 0.404 162 HE2 MET 27 HE2 MET 27 4.529 -2.261 -0.803 163 HE3 MET 27 HE3 MET 27 3.605 -0.901 -0.170 164 H LEU 28 H LEU 28 10.822 -0.269 1.325 165 HA LEU 28 HA LEU 28 11.395 0.623 3.906 166 HB2 LEU 28 HB2 LEU 28 12.561 -1.234 2.863 167 HB3 LEU 28 HB3 LEU 28 13.287 -0.154 1.685 168 HG LEU 28 HG LEU 28 14.472 0.982 3.587 169 HD11 LEU 28 HD11 LEU 28 14.645 -0.233 5.703 170 HD12 LEU 28 HD12 LEU 28 13.435 -1.385 5.140 171 HD13 LEU 28 HD13 LEU 28 12.994 0.302 5.395 172 HD21 LEU 28 HD21 LEU 28 14.994 -1.957 3.172 173 HD22 LEU 28 HD22 LEU 28 16.142 -0.796 3.839 174 HD23 LEU 28 HD23 LEU 28 15.595 -0.636 2.169 175 H ARG 29 H ARG 29 11.822 2.181 0.806 176 HA ARG 29 HA ARG 29 13.522 4.276 1.792 177 HB2 ARG 29 HB2 ARG 29 11.870 4.187 -0.740 178 HB3 ARG 29 HB3 ARG 29 13.163 5.324 -0.388 179 HG2 ARG 29 HG2 ARG 29 13.431 2.353 -0.783 180 HG3 ARG 29 HG3 ARG 29 13.958 3.626 -1.885 181 HD2 ARG 29 HD2 ARG 29 15.527 4.432 -0.176 182 HD3 ARG 29 HD3 ARG 29 15.019 3.124 0.890 183 HE ARG 29 HE ARG 29 16.098 2.425 -1.734 184 HH11 ARG 29 HH11 ARG 29 16.527 2.597 1.737 185 HH12 ARG 29 HH12 ARG 29 17.892 1.528 1.747 186 HH21 ARG 29 HH21 ARG 29 17.912 1.040 -1.729 187 HH22 ARG 29 HH22 ARG 29 18.687 0.645 -0.227 188 H PHE 30 H PHE 30 10.101 4.090 0.852 189 HA PHE 30 HA PHE 30 9.609 6.807 1.663 190 HB2 PHE 30 HB2 PHE 30 8.175 6.411 -0.045 191 HB3 PHE 30 HB3 PHE 30 8.143 4.678 0.250 192 HD1 PHE 30 HD2 PHE 30 6.802 7.897 1.573 193 HD2 PHE 30 HD1 PHE 30 6.276 3.691 1.178 194 HE1 PHE 30 HE2 PHE 30 4.556 8.084 2.560 195 HE2 PHE 30 HE1 PHE 30 4.032 3.876 2.163 196 HZ PHE 30 HZ PHE 30 3.169 6.074 2.855 197 H ALA 31 H ALA 31 8.659 3.605 2.861 198 HA ALA 31 HA ALA 31 6.880 4.620 4.810 199 HB1 ALA 31 HB1 ALA 31 6.762 2.329 5.633 200 HB2 ALA 31 HB2 ALA 31 8.139 1.891 4.623 201 HB3 ALA 31 HB3 ALA 31 6.621 2.391 3.876 202 H GLU 32 H GLU 32 10.327 3.830 4.890 203 HA GLU 32 HA GLU 32 10.611 3.819 7.688 204 HB2 GLU 32 HB2 GLU 32 12.447 4.272 5.411 205 HB3 GLU 32 HB3 GLU 32 12.977 4.858 6.982 206 HG2 GLU 32 HG2 GLU 32 12.118 2.038 6.373 207 HG3 GLU 32 HG3 GLU 32 13.786 2.595 6.511 208 H GLN 33 H GLN 33 10.248 6.476 5.450 209 HA GLN 33 HA GLN 33 10.963 8.537 7.283 210 HB2 GLN 33 HB2 GLN 33 9.259 8.571 4.788 211 HB3 GLN 33 HB3 GLN 33 9.663 10.014 5.706 212 HG2 GLN 33 HG2 GLN 33 12.036 9.616 5.288 213 HG3 GLN 33 HG3 GLN 33 11.628 8.173 4.363 214 HE21 GLN 33 HE21 GLN 33 9.275 9.375 3.148 215 HE22 GLN 33 HE22 GLN 33 9.852 10.493 1.965 216 H ALA 34 H ALA 34 8.073 6.710 6.643 217 HA ALA 34 HA ALA 34 6.467 8.425 8.382 218 HB1 ALA 34 HB1 ALA 34 4.571 7.084 7.657 219 HB2 ALA 34 HB2 ALA 34 5.655 5.993 6.796 220 HB3 ALA 34 HB3 ALA 34 5.488 7.666 6.267 221 H GLY 35 H GLY 35 8.506 5.827 8.713 222 HA2 GLY 35 HA2 GLY 35 9.038 4.732 10.696 223 HA3 GLY 35 HA3 GLY 35 7.543 5.324 11.400 224 H MET 36 H MET 36 7.889 3.498 8.382 225 HA MET 36 HA MET 36 6.677 1.168 9.692 226 HB2 MET 36 HB2 MET 36 5.637 2.504 7.189 227 HB3 MET 36 HB3 MET 36 5.165 0.889 7.699 228 HG2 MET 36 HG2 MET 36 4.287 1.844 9.792 229 HG3 MET 36 HG3 MET 36 4.701 3.452 9.205 230 HE1 MET 36 HE1 MET 36 3.959 3.267 6.114 231 HE2 MET 36 HE2 MET 36 3.538 4.629 7.150 232 HE3 MET 36 HE3 MET 36 2.301 3.868 6.148 233 H GLN 37 H GLN 37 6.777 -0.791 8.328 234 HA GLN 37 HA GLN 37 8.790 -0.782 6.222 235 HB2 GLN 37 HB2 GLN 37 9.119 -2.060 8.897 236 HB3 GLN 37 HB3 GLN 37 9.727 -2.919 7.487 237 HG2 GLN 37 HG2 GLN 37 11.176 -1.102 6.921 238 HG3 GLN 37 HG3 GLN 37 10.465 -0.087 8.179 239 HE21 GLN 37 HE21 GLN 37 12.422 0.249 9.177 240 HE22 GLN 37 HE22 GLN 37 13.232 -0.992 10.083 241 H VAL 38 H VAL 38 8.926 -2.883 5.130 242 HA VAL 38 HA VAL 38 6.289 -3.901 4.619 243 HB VAL 38 HB VAL 38 8.899 -4.955 3.521 244 HG11 VAL 38 HG11 VAL 38 7.527 -5.628 1.612 245 HG12 VAL 38 HG12 VAL 38 6.093 -4.995 2.421 246 HG13 VAL 38 HG13 VAL 38 6.962 -6.366 3.110 247 HG21 VAL 38 HG21 VAL 38 7.220 -2.673 2.500 248 HG22 VAL 38 HG22 VAL 38 8.561 -3.413 1.629 249 HG23 VAL 38 HG23 VAL 38 8.857 -2.569 3.148 250 H PHE 39 H PHE 39 5.430 -5.815 5.276 251 HA PHE 39 HA PHE 39 7.185 -7.708 6.663 252 HB2 PHE 39 HB2 PHE 39 6.115 -6.280 8.370 253 HB3 PHE 39 HB3 PHE 39 4.535 -6.732 7.740 254 HD1 PHE 39 HD1 PHE 39 7.492 -7.916 9.564 255 HD2 PHE 39 HD2 PHE 39 3.555 -8.858 8.245 256 HE1 PHE 39 HE1 PHE 39 7.456 -9.865 11.065 257 HE2 PHE 39 HE2 PHE 39 3.514 -10.806 9.746 258 HZ PHE 39 HZ PHE 39 5.468 -11.311 11.157 259 H PHE 40 H PHE 40 7.006 -9.571 5.662 260 HA PHE 40 HA PHE 40 4.309 -10.565 5.047 261 HB2 PHE 40 HB2 PHE 40 6.805 -10.764 3.366 262 HB3 PHE 40 HB3 PHE 40 5.488 -11.916 3.193 263 HD1 PHE 40 HD1 PHE 40 6.450 -8.382 2.815 264 HD2 PHE 40 HD2 PHE 40 3.484 -11.339 2.067 265 HE1 PHE 40 HE1 PHE 40 5.317 -6.848 1.261 266 HE2 PHE 40 HE2 PHE 40 2.344 -9.809 0.513 267 HZ PHE 40 HZ PHE 40 3.264 -7.560 0.109 268 H ASP 41 H ASP 41 3.949 -12.720 5.539 269 HA ASP 41 HA ASP 41 5.997 -14.005 7.176 270 HB2 ASP 41 HB2 ASP 41 4.254 -15.556 7.877 271 HB3 ASP 41 HB3 ASP 41 3.683 -13.904 8.063 272 H GLU 42 H GLU 42 5.209 -16.713 6.668 273 HA GLU 42 HA GLU 42 6.829 -17.213 4.393 274 HB2 GLU 42 HB2 GLU 42 5.096 -19.026 6.067 275 HB3 GLU 42 HB3 GLU 42 6.117 -19.604 4.756 276 HG2 GLU 42 HG2 GLU 42 7.086 -18.117 7.187 277 HG3 GLU 42 HG3 GLU 42 7.166 -19.862 6.956 278 H VAL 43 H VAL 43 5.890 -16.190 2.656 279 HA VAL 43 HA VAL 43 3.529 -17.547 1.537 280 HB VAL 43 HB VAL 43 2.860 -15.430 0.468 281 HG11 VAL 43 HG11 VAL 43 1.837 -16.048 2.590 282 HG12 VAL 43 HG12 VAL 43 2.010 -14.297 2.468 283 HG13 VAL 43 HG13 VAL 43 3.128 -15.227 3.467 284 HG21 VAL 43 HG21 VAL 43 3.863 -13.309 1.179 285 HG22 VAL 43 HG22 VAL 43 5.042 -14.344 0.373 286 HG23 VAL 43 HG23 VAL 43 5.056 -14.194 2.131 287 H LYS 44 H LYS 44 3.435 -17.426 -0.845 288 HA LYS 44 HA LYS 44 6.128 -17.688 -1.962 289 HB2 LYS 44 HB2 LYS 44 4.585 -19.599 -2.194 290 HB3 LYS 44 HB3 LYS 44 3.452 -18.576 -3.060 291 HG2 LYS 44 HG2 LYS 44 4.935 -18.364 -4.910 292 HG3 LYS 44 HG3 LYS 44 6.243 -19.139 -4.019 293 HD2 LYS 44 HD2 LYS 44 5.260 -20.704 -5.593 294 HD3 LYS 44 HD3 LYS 44 4.940 -21.222 -3.939 295 HE2 LYS 44 HE2 LYS 44 2.946 -21.513 -5.245 296 HE3 LYS 44 HE3 LYS 44 2.690 -20.194 -4.106 297 HZ1 LYS 44 HZ1 LYS 44 1.840 -19.630 -6.281 298 HZ2 LYS 44 HZ2 LYS 44 3.352 -19.905 -6.986 299 HZ3 LYS 44 HZ3 LYS 44 3.147 -18.626 -5.902 300 H LEU 45 H LEU 45 6.644 -15.529 -2.314 301 HA LEU 45 HA LEU 45 5.299 -14.307 -4.595 302 HB2 LEU 45 HB2 LEU 45 4.185 -13.355 -2.628 303 HB3 LEU 45 HB3 LEU 45 5.738 -12.877 -1.970 304 HG LEU 45 HG LEU 45 6.054 -11.324 -3.858 305 HD11 LEU 45 HD11 LEU 45 4.749 -12.474 -5.546 306 HD12 LEU 45 HD12 LEU 45 4.157 -10.826 -5.334 307 HD13 LEU 45 HD13 LEU 45 3.269 -12.179 -4.633 308 HD21 LEU 45 HD21 LEU 45 4.377 -9.686 -3.172 309 HD22 LEU 45 HD22 LEU 45 5.054 -10.530 -1.779 310 HD23 LEU 45 HD23 LEU 45 3.452 -10.960 -2.377 311 H ASP 46 H ASP 46 6.862 -13.958 -6.012 312 HA ASP 46 HA ASP 46 9.451 -12.940 -5.052 313 HB2 ASP 46 HB2 ASP 46 9.074 -15.023 -7.221 314 HB3 ASP 46 HB3 ASP 46 10.609 -14.327 -6.717 315 H GLY 47 H GLY 47 10.544 -11.563 -6.493 316 HA2 GLY 47 HA2 GLY 47 10.867 -10.198 -8.315 317 HA3 GLY 47 HA3 GLY 47 9.678 -11.161 -9.175 318 H MET 48 H MET 48 8.763 -9.695 -6.174 319 HA MET 48 HA MET 48 6.844 -8.064 -7.597 320 HB2 MET 48 HB2 MET 48 5.911 -7.567 -5.380 321 HB3 MET 48 HB3 MET 48 6.058 -9.292 -5.658 322 HG2 MET 48 HG2 MET 48 8.012 -7.661 -4.054 323 HG3 MET 48 HG3 MET 48 6.661 -8.560 -3.368 324 HE1 MET 48 HE1 MET 48 8.146 -9.969 -1.747 325 HE2 MET 48 HE2 MET 48 9.541 -9.027 -2.269 326 HE3 MET 48 HE3 MET 48 9.631 -10.787 -2.231 327 H GLN 49 H GLN 49 7.132 -6.020 -8.109 328 HA GLN 49 HA GLN 49 9.071 -4.431 -6.568 329 HB2 GLN 49 HB2 GLN 49 9.862 -3.378 -8.587 330 HB3 GLN 49 HB3 GLN 49 10.007 -5.120 -8.770 331 HG2 GLN 49 HG2 GLN 49 7.990 -5.161 -10.126 332 HG3 GLN 49 HG3 GLN 49 7.800 -3.421 -9.911 333 HE21 GLN 49 HE21 GLN 49 9.203 -2.021 -10.964 334 HE22 GLN 49 HE22 GLN 49 10.195 -2.529 -12.285 335 H ALA 50 H ALA 50 8.758 -2.041 -7.018 336 HA ALA 50 HA ALA 50 5.938 -1.449 -6.623 337 HB1 ALA 50 HB1 ALA 50 6.714 0.755 -5.933 338 HB2 ALA 50 HB2 ALA 50 8.353 0.346 -6.436 339 HB3 ALA 50 HB3 ALA 50 7.605 -0.513 -5.091 340 H ALA 51 H ALA 51 4.891 0.288 -7.734 341 HA ALA 51 HA ALA 51 5.555 0.334 -10.564 342 HB1 ALA 51 HB1 ALA 51 3.170 1.446 -9.085 343 HB2 ALA 51 HB2 ALA 51 3.251 -0.119 -9.894 344 HB3 ALA 51 HB3 ALA 51 3.353 1.368 -10.837 345 H ALA 52 H ALA 52 5.074 2.541 -11.661 346 HA ALA 52 HA ALA 52 7.038 4.382 -10.794 347 HB1 ALA 52 HB1 ALA 52 4.830 4.810 -12.803 348 HB2 ALA 52 HB2 ALA 52 6.400 4.085 -13.149 349 HB3 ALA 52 HB3 ALA 52 6.301 5.770 -12.640 350 H LEU 53 H LEU 53 6.910 5.921 -9.296 351 HA LEU 53 HA LEU 53 4.255 6.936 -8.537 352 HB2 LEU 53 HB2 LEU 53 5.279 5.116 -7.026 353 HB3 LEU 53 HB3 LEU 53 6.429 6.342 -6.547 354 HG LEU 53 HG LEU 53 4.642 6.088 -4.902 355 HD11 LEU 53 HD11 LEU 53 4.510 8.718 -6.351 356 HD12 LEU 53 HD12 LEU 53 5.676 8.264 -5.109 357 HD13 LEU 53 HD13 LEU 53 3.967 8.417 -4.701 358 HD21 LEU 53 HD21 LEU 53 2.791 6.981 -7.097 359 HD22 LEU 53 HD22 LEU 53 2.364 6.738 -5.403 360 HD23 LEU 53 HD23 LEU 53 2.863 5.365 -6.393 361 H ASN 54 H ASN 54 4.306 9.022 -9.096 362 HA ASN 54 HA ASN 54 6.232 10.727 -7.754 363 HB2 ASN 54 HB2 ASN 54 7.333 10.368 -9.902 364 HB3 ASN 54 HB3 ASN 54 5.858 10.799 -10.760 365 HD21 ASN 54 HD21 ASN 54 8.556 11.991 -8.911 366 HD22 ASN 54 HD22 ASN 54 8.332 13.663 -9.300 367 H GLY 55 H GLY 55 4.748 11.782 -6.555 368 HA2 GLY 55 HA2 GLY 55 3.117 13.759 -7.687 369 HA3 GLY 55 HA3 GLY 55 2.112 12.352 -7.375 370 H SER 56 H SER 56 1.609 14.748 -6.131 371 HA SER 56 HA SER 56 2.495 14.271 -3.371 372 HB2 SER 56 HB2 SER 56 1.528 16.618 -3.009 373 HB3 SER 56 HB3 SER 56 3.010 16.503 -3.956 374 HG SER 56 HG SER 56 1.942 17.019 -5.747 375 H MET 57 H MET 57 1.115 13.267 -2.089 376 HA MET 57 HA MET 57 -1.704 13.689 -2.145 377 HB2 MET 57 HB2 MET 57 -2.214 11.270 -2.780 378 HB3 MET 57 HB3 MET 57 -1.765 12.356 -4.085 379 HG2 MET 57 HG2 MET 57 0.564 11.479 -3.910 380 HG3 MET 57 HG3 MET 57 -0.035 10.284 -2.762 381 HE1 MET 57 HE1 MET 57 1.447 9.954 -5.831 382 HE2 MET 57 HE2 MET 57 0.698 8.399 -6.191 383 HE3 MET 57 HE3 MET 57 1.303 8.733 -4.570 384 H SER 58 H SER 58 -2.668 11.467 -0.946 385 HA SER 58 HA SER 58 -1.329 11.627 1.628 386 HB2 SER 58 HB2 SER 58 -3.966 10.337 0.890 387 HB3 SER 58 HB3 SER 58 -3.388 10.690 2.520 388 HG SER 58 HG SER 58 -3.407 12.916 1.953 389 H VAL 59 H VAL 59 -1.419 9.513 2.979 390 HA VAL 59 HA VAL 59 0.317 7.616 1.920 391 HB VAL 59 HB VAL 59 -1.698 7.055 4.096 392 HG11 VAL 59 HG11 VAL 59 1.045 5.908 3.579 393 HG12 VAL 59 HG12 VAL 59 -0.484 5.095 3.247 394 HG13 VAL 59 HG13 VAL 59 -0.029 5.478 4.909 395 HG21 VAL 59 HG21 VAL 59 -0.522 9.139 4.581 396 HG22 VAL 59 HG22 VAL 59 1.027 8.331 4.335 397 HG23 VAL 59 HG23 VAL 59 -0.012 7.857 5.679 398 H GLU 60 H GLU 60 -3.200 7.399 2.303 399 HA GLU 60 HA GLU 60 -3.592 4.874 1.279 400 HB2 GLU 60 HB2 GLU 60 -5.367 7.304 1.010 401 HB3 GLU 60 HB3 GLU 60 -5.882 5.652 0.705 402 HG2 GLU 60 HG2 GLU 60 -5.382 5.083 3.043 403 HG3 GLU 60 HG3 GLU 60 -4.917 6.758 3.334 404 H GLN 61 H GLN 61 -3.647 7.950 -0.513 405 HA GLN 61 HA GLN 61 -4.086 6.785 -3.045 406 HB2 GLN 61 HB2 GLN 61 -2.763 9.426 -2.439 407 HB3 GLN 61 HB3 GLN 61 -3.498 8.954 -3.961 408 HG2 GLN 61 HG2 GLN 61 -5.684 8.801 -2.796 409 HG3 GLN 61 HG3 GLN 61 -4.904 9.424 -1.343 410 HE21 GLN 61 HE21 GLN 61 -4.114 10.459 -4.588 411 HE22 GLN 61 HE22 GLN 61 -4.733 12.065 -4.432 412 H GLY 62 H GLY 62 -1.155 7.586 -1.264 413 HA2 GLY 62 HA2 GLY 62 0.677 7.370 -3.377 414 HA3 GLY 62 HA3 GLY 62 1.054 7.179 -1.673 415 H LEU 63 H LEU 63 -0.184 4.970 -0.892 416 HA LEU 63 HA LEU 63 1.432 2.932 -1.973 417 HB2 LEU 63 HB2 LEU 63 -0.905 2.900 -0.084 418 HB3 LEU 63 HB3 LEU 63 -0.137 1.425 -0.603 419 HG LEU 63 HG LEU 63 0.647 2.132 1.603 420 HD11 LEU 63 HD11 LEU 63 2.751 2.319 -0.548 421 HD12 LEU 63 HD12 LEU 63 2.170 0.852 0.234 422 HD13 LEU 63 HD13 LEU 63 3.065 2.048 1.164 423 HD21 LEU 63 HD21 LEU 63 0.395 4.546 1.322 424 HD22 LEU 63 HD22 LEU 63 1.762 4.556 0.208 425 HD23 LEU 63 HD23 LEU 63 2.002 4.111 1.898 426 H ARG 64 H ARG 64 -1.741 4.059 -2.758 427 HA ARG 64 HA ARG 64 -2.734 1.785 -4.072 428 HB2 ARG 64 HB2 ARG 64 -3.331 4.717 -4.289 429 HB3 ARG 64 HB3 ARG 64 -4.104 3.562 -5.364 430 HG2 ARG 64 HG2 ARG 64 -5.087 2.404 -3.500 431 HG3 ARG 64 HG3 ARG 64 -4.211 3.427 -2.361 432 HD2 ARG 64 HD2 ARG 64 -5.421 5.383 -3.199 433 HD3 ARG 64 HD3 ARG 64 -6.302 4.354 -4.326 434 HE ARG 64 HE ARG 64 -6.996 3.156 -2.118 435 HH11 ARG 64 HH11 ARG 64 -6.671 6.612 -2.645 436 HH12 ARG 64 HH12 ARG 64 -7.813 7.035 -1.409 437 HH21 ARG 64 HH21 ARG 64 -8.495 3.705 -0.517 438 HH22 ARG 64 HH22 ARG 64 -8.866 5.370 -0.202 439 H ARG 65 H ARG 65 -1.032 4.615 -5.378 440 HA ARG 65 HA ARG 65 -0.867 3.452 -8.011 441 HB2 ARG 65 HB2 ARG 65 0.209 5.969 -6.766 442 HB3 ARG 65 HB3 ARG 65 0.641 5.487 -8.400 443 HG2 ARG 65 HG2 ARG 65 -1.597 5.654 -9.141 444 HG3 ARG 65 HG3 ARG 65 -2.201 5.803 -7.491 445 HD2 ARG 65 HD2 ARG 65 -2.197 7.949 -8.651 446 HD3 ARG 65 HD3 ARG 65 -1.114 7.956 -7.264 447 HE ARG 65 HE ARG 65 0.359 7.287 -9.559 448 HH11 ARG 65 HH11 ARG 65 -1.360 10.001 -8.177 449 HH12 ARG 65 HH12 ARG 65 -0.350 11.196 -8.931 450 HH21 ARG 65 HH21 ARG 65 1.708 8.860 -10.554 451 HH22 ARG 65 HH22 ARG 65 1.397 10.545 -10.287 452 H LEU 66 H LEU 66 0.907 3.168 -5.166 453 HA LEU 66 HA LEU 66 3.500 2.920 -6.442 454 HB2 LEU 66 HB2 LEU 66 3.253 4.150 -4.344 455 HB3 LEU 66 HB3 LEU 66 2.665 2.704 -3.556 456 HG LEU 66 HG LEU 66 4.858 1.650 -3.807 457 HD11 LEU 66 HD11 LEU 66 5.711 4.269 -5.033 458 HD12 LEU 66 HD12 LEU 66 5.550 2.736 -5.890 459 HD13 LEU 66 HD13 LEU 66 6.767 2.916 -4.627 460 HD21 LEU 66 HD21 LEU 66 6.078 3.099 -2.252 461 HD22 LEU 66 HD22 LEU 66 4.377 2.950 -1.808 462 HD23 LEU 66 HD23 LEU 66 4.954 4.414 -2.604 463 H ILE 67 H ILE 67 1.133 0.786 -4.853 464 HA ILE 67 HA ILE 67 3.109 -1.340 -4.747 465 HB ILE 67 HB ILE 67 0.219 -1.403 -3.898 466 HG12 ILE 67 HG12 ILE 67 2.714 -1.066 -2.217 467 HG13 ILE 67 HG13 ILE 67 1.593 0.230 -2.628 468 HG21 ILE 67 HG21 ILE 67 1.103 -3.618 -4.377 469 HG22 ILE 67 HG22 ILE 67 0.867 -3.408 -2.644 470 HG23 ILE 67 HG23 ILE 67 2.487 -3.310 -3.330 471 HD11 ILE 67 HD11 ILE 67 1.200 -0.620 -0.381 472 HD12 ILE 67 HD12 ILE 67 0.922 -2.232 -1.034 473 HD13 ILE 67 HD13 ILE 67 -0.185 -0.918 -1.428 474 H GLY 68 H GLY 68 -0.248 -1.200 -6.004 475 HA2 GLY 68 HA2 GLY 68 0.533 -3.492 -7.686 476 HA3 GLY 68 HA3 GLY 68 -1.049 -3.320 -6.955 477 H GLY 69 H GLY 69 -1.965 -0.949 -7.626 478 HA2 GLY 69 HA2 GLY 69 -2.916 0.172 -9.441 479 HA3 GLY 69 HA3 GLY 69 -1.839 -0.714 -10.519 480 H ASN 70 H ASN 70 -2.573 -3.239 -9.154 481 HA ASN 70 HA ASN 70 -5.250 -3.697 -10.258 482 HB2 ASN 70 HB2 ASN 70 -4.664 -6.116 -10.044 483 HB3 ASN 70 HB3 ASN 70 -3.555 -5.241 -11.090 484 HD21 ASN 70 HD21 ASN 70 -1.447 -4.893 -10.420 485 HD22 ASN 70 HD22 ASN 70 -0.746 -5.779 -9.107 486 HA PRO 71 HA PRO 71 -7.196 -3.878 -6.327 487 HB2 PRO 71 HB2 PRO 71 -8.534 -6.299 -6.391 488 HB3 PRO 71 HB3 PRO 71 -9.113 -4.801 -7.124 489 HG2 PRO 71 HG2 PRO 71 -7.689 -7.105 -8.388 490 HG3 PRO 71 HG3 PRO 71 -9.042 -6.143 -9.013 491 HD2 PRO 71 HD2 PRO 71 -6.546 -5.747 -9.883 492 HD3 PRO 71 HD3 PRO 71 -7.660 -4.385 -9.646 493 H VAL 72 H VAL 72 -5.492 -4.025 -4.927 494 HA VAL 72 HA VAL 72 -5.383 -6.506 -3.449 495 HB VAL 72 HB VAL 72 -3.502 -6.766 -4.996 496 HG11 VAL 72 HG11 VAL 72 -3.010 -4.439 -5.460 497 HG12 VAL 72 HG12 VAL 72 -1.564 -5.285 -4.909 498 HG13 VAL 72 HG13 VAL 72 -2.434 -4.217 -3.807 499 HG21 VAL 72 HG21 VAL 72 -3.341 -7.670 -2.726 500 HG22 VAL 72 HG22 VAL 72 -2.578 -6.175 -2.192 501 HG23 VAL 72 HG23 VAL 72 -1.763 -7.211 -3.364 502 H ALA 73 H ALA 73 -5.038 -6.134 -1.242 503 HA ALA 73 HA ALA 73 -5.523 -3.316 -0.589 504 HB1 ALA 73 HB1 ALA 73 -7.261 -4.949 0.017 505 HB2 ALA 73 HB2 ALA 73 -6.601 -4.116 1.423 506 HB3 ALA 73 HB3 ALA 73 -6.103 -5.769 1.064 507 H PHE 74 H PHE 74 -4.278 -2.180 0.759 508 HA PHE 74 HA PHE 74 -1.962 -3.541 1.944 509 HB2 PHE 74 HB2 PHE 74 -0.842 -1.344 1.971 510 HB3 PHE 74 HB3 PHE 74 -1.309 -1.817 0.346 511 HD1 PHE 74 HD1 PHE 74 -3.602 -0.839 -0.484 512 HD2 PHE 74 HD2 PHE 74 -1.297 0.797 2.699 513 HE1 PHE 74 HE1 PHE 74 -4.716 1.326 -0.798 514 HE2 PHE 74 HE2 PHE 74 -2.403 2.982 2.384 515 HZ PHE 74 HZ PHE 74 -4.126 3.231 0.634 516 H ARG 75 H ARG 75 -1.994 -3.831 4.042 517 HA ARG 75 HA ARG 75 -3.894 -2.265 5.634 518 HB2 ARG 75 HB2 ARG 75 -2.602 -4.953 6.097 519 HB3 ARG 75 HB3 ARG 75 -3.528 -4.110 7.333 520 HG2 ARG 75 HG2 ARG 75 -5.508 -4.168 5.938 521 HG3 ARG 75 HG3 ARG 75 -4.591 -4.925 4.635 522 HD2 ARG 75 HD2 ARG 75 -4.899 -6.148 7.369 523 HD3 ARG 75 HD3 ARG 75 -6.002 -6.477 6.034 524 HE ARG 75 HE ARG 75 -3.655 -7.069 4.920 525 HH11 ARG 75 HH11 ARG 75 -5.005 -7.961 8.025 526 HH12 ARG 75 HH12 ARG 75 -4.172 -9.481 8.094 527 HH21 ARG 75 HH21 ARG 75 -2.573 -9.088 4.999 528 HH22 ARG 75 HH22 ARG 75 -2.794 -10.127 6.369 529 H LEU 76 H LEU 76 -3.040 -0.574 6.578 530 HA LEU 76 HA LEU 76 -0.226 -0.480 7.264 531 HB2 LEU 76 HB2 LEU 76 -2.409 1.574 7.646 532 HB3 LEU 76 HB3 LEU 76 -0.693 1.852 7.873 533 HG LEU 76 HG LEU 76 -1.997 1.138 5.244 534 HD11 LEU 76 HD11 LEU 76 -0.979 3.773 6.292 535 HD12 LEU 76 HD12 LEU 76 -2.655 3.353 5.938 536 HD13 LEU 76 HD13 LEU 76 -1.480 3.465 4.629 537 HD21 LEU 76 HD21 LEU 76 0.829 1.972 5.892 538 HD22 LEU 76 HD22 LEU 76 0.172 1.709 4.276 539 HD23 LEU 76 HD23 LEU 76 0.309 0.360 5.403 540 H GLN 77 H GLN 77 0.229 -1.672 9.011 541 HA GLN 77 HA GLN 77 -1.579 -1.695 11.291 542 HB2 GLN 77 HB2 GLN 77 1.005 -3.185 10.792 543 HB3 GLN 77 HB3 GLN 77 -0.054 -3.430 12.174 544 HG2 GLN 77 HG2 GLN 77 -0.753 -3.932 9.290 545 HG3 GLN 77 HG3 GLN 77 -0.389 -5.156 10.505 546 HE21 GLN 77 HE21 GLN 77 -2.794 -4.734 8.898 547 HE22 GLN 77 HE22 GLN 77 -4.097 -4.563 10.021 548 HA PRO 78 HA PRO 78 0.591 1.423 13.524 549 HB2 PRO 78 HB2 PRO 78 -0.162 0.760 16.051 550 HB3 PRO 78 HB3 PRO 78 -1.249 1.534 14.893 551 HG2 PRO 78 HG2 PRO 78 -1.021 -1.358 15.635 552 HG3 PRO 78 HG3 PRO 78 -2.479 -0.375 15.405 553 HD2 PRO 78 HD2 PRO 78 -1.569 -2.062 13.505 554 HD3 PRO 78 HD3 PRO 78 -2.373 -0.531 13.102 555 H GLN 79 H GLN 79 1.418 -1.795 13.579 556 HA GLN 79 HA GLN 79 3.464 -1.679 15.610 557 HB2 GLN 79 HB2 GLN 79 3.007 -3.710 13.412 558 HB3 GLN 79 HB3 GLN 79 4.101 -3.900 14.773 559 HG2 GLN 79 HG2 GLN 79 1.108 -3.651 14.947 560 HG3 GLN 79 HG3 GLN 79 2.034 -5.144 15.087 561 HE21 GLN 79 HE21 GLN 79 3.284 -5.498 16.931 562 HE22 GLN 79 HE22 GLN 79 3.024 -4.605 18.390 563 H GLY 80 H GLY 80 3.163 -0.286 12.675 564 HA2 GLY 80 HA2 GLY 80 4.773 0.819 11.403 565 HA3 GLY 80 HA3 GLY 80 6.028 -0.034 12.294 566 H GLN 81 H GLN 81 3.257 -1.434 10.638 567 HA GLN 81 HA GLN 81 5.108 -2.796 8.802 568 HB2 GLN 81 HB2 GLN 81 2.871 -4.008 10.427 569 HB3 GLN 81 HB3 GLN 81 3.603 -4.817 9.052 570 HG2 GLN 81 HG2 GLN 81 5.733 -4.880 10.161 571 HG3 GLN 81 HG3 GLN 81 5.097 -3.934 11.507 572 HE21 GLN 81 HE21 GLN 81 5.656 -5.586 12.951 573 HE22 GLN 81 HE22 GLN 81 4.741 -7.051 13.061 574 H ILE 82 H ILE 82 4.537 -2.619 6.737 575 HA ILE 82 HA ILE 82 1.728 -2.039 6.092 576 HB ILE 82 HB ILE 82 4.108 -1.965 4.222 577 HG12 ILE 82 HG12 ILE 82 2.699 0.318 5.631 578 HG13 ILE 82 HG13 ILE 82 4.323 -0.261 5.986 579 HG21 ILE 82 HG21 ILE 82 2.006 -2.330 3.071 580 HG22 ILE 82 HG22 ILE 82 2.569 -0.686 2.765 581 HG23 ILE 82 HG23 ILE 82 1.271 -0.972 3.922 582 HD11 ILE 82 HD11 ILE 82 3.414 0.989 3.405 583 HD12 ILE 82 HD12 ILE 82 5.040 0.397 3.745 584 HD13 ILE 82 HD13 ILE 82 4.390 1.760 4.655 585 H VAL 83 H VAL 83 0.692 -3.950 6.100 586 HA VAL 83 HA VAL 83 2.003 -6.275 4.882 587 HB VAL 83 HB VAL 83 -0.535 -6.197 6.525 588 HG11 VAL 83 HG11 VAL 83 -0.387 -8.130 5.047 589 HG12 VAL 83 HG12 VAL 83 -0.198 -8.613 6.733 590 HG13 VAL 83 HG13 VAL 83 1.215 -8.506 5.682 591 HG21 VAL 83 HG21 VAL 83 1.365 -5.467 7.862 592 HG22 VAL 83 HG22 VAL 83 2.275 -6.896 7.371 593 HG23 VAL 83 HG23 VAL 83 0.829 -7.070 8.364 594 H LEU 84 H LEU 84 1.488 -6.817 2.879 595 HA LEU 84 HA LEU 84 -0.870 -5.647 1.646 596 HB2 LEU 84 HB2 LEU 84 1.414 -5.698 0.544 597 HB3 LEU 84 HB3 LEU 84 1.188 -7.426 0.350 598 HG LEU 84 HG LEU 84 -0.911 -6.913 -0.941 599 HD11 LEU 84 HD11 LEU 84 -1.053 -4.633 -1.904 600 HD12 LEU 84 HD12 LEU 84 0.197 -4.121 -0.770 601 HD13 LEU 84 HD13 LEU 84 -1.358 -4.692 -0.169 602 HD21 LEU 84 HD21 LEU 84 1.148 -7.544 -2.062 603 HD22 LEU 84 HD22 LEU 84 1.691 -5.865 -2.043 604 HD23 LEU 84 HD23 LEU 84 0.276 -6.326 -2.993 605 H SER 85 H SER 85 -2.526 -6.836 0.714 606 HA SER 85 HA SER 85 -2.556 -9.715 0.906 607 HB2 SER 85 HB2 SER 85 -4.773 -9.537 2.262 608 HB3 SER 85 HB3 SER 85 -3.239 -9.401 3.123 609 HG SER 85 HG SER 85 -4.280 -7.034 2.127 610 H ARG 86 H ARG 86 -3.722 -10.526 -0.745 611 HA ARG 86 HA ARG 86 -5.091 -8.659 -2.468 612 HB2 ARG 86 HB2 ARG 86 -4.485 -11.600 -2.743 613 HB3 ARG 86 HB3 ARG 86 -5.385 -10.684 -3.943 614 HG2 ARG 86 HG2 ARG 86 -3.393 -9.127 -4.044 615 HG3 ARG 86 HG3 ARG 86 -2.522 -10.346 -3.114 616 HD2 ARG 86 HD2 ARG 86 -2.865 -11.976 -4.852 617 HD3 ARG 86 HD3 ARG 86 -3.888 -10.859 -5.752 618 HE ARG 86 HE ARG 86 -0.977 -10.689 -5.436 619 HH11 ARG 86 HH11 ARG 86 -3.934 -9.473 -6.858 620 HH12 ARG 86 HH12 ARG 86 -3.117 -8.487 -8.030 621 HH21 ARG 86 HH21 ARG 86 0.101 -9.409 -6.990 622 HH22 ARG 86 HH22 ARG 86 -0.817 -8.463 -8.115 623 H LEU 87 H LEU 87 -6.754 -8.181 -0.882 624 HA LEU 87 HA LEU 87 -8.811 -10.097 -0.375 625 HB2 LEU 87 HB2 LEU 87 -8.518 -7.143 -0.025 626 HB3 LEU 87 HB3 LEU 87 -10.125 -7.839 0.029 627 HG LEU 87 HG LEU 87 -9.398 -9.305 1.893 628 HD11 LEU 87 HD11 LEU 87 -6.866 -7.678 1.785 629 HD12 LEU 87 HD12 LEU 87 -7.017 -9.393 1.406 630 HD13 LEU 87 HD13 LEU 87 -7.307 -8.825 3.050 631 HD21 LEU 87 HD21 LEU 87 -10.531 -7.198 2.336 632 HD22 LEU 87 HD22 LEU 87 -8.984 -6.353 2.338 633 HD23 LEU 87 HD23 LEU 87 -9.339 -7.546 3.587 634 HA PRO 88 HA PRO 88 -10.777 -10.003 -4.338 635 HB2 PRO 88 HB2 PRO 88 -13.258 -10.828 -3.530 636 HB3 PRO 88 HB3 PRO 88 -11.885 -11.916 -3.752 637 HG2 PRO 88 HG2 PRO 88 -12.957 -10.708 -1.234 638 HG3 PRO 88 HG3 PRO 88 -12.390 -12.362 -1.529 639 HD2 PRO 88 HD2 PRO 88 -10.860 -10.539 -0.281 640 HD3 PRO 88 HD3 PRO 88 -10.164 -11.764 -1.362 641 H THR 89 H THR 89 -12.103 -8.683 -5.525 642 HA THR 89 HA THR 89 -12.753 -6.137 -4.597 643 HB THR 89 HB THR 89 -14.041 -7.553 -6.939 644 HG1 THR 89 HG1 THR 89 -12.062 -6.017 -7.755 645 HG21 THR 89 HG21 THR 89 -15.081 -5.416 -6.347 646 HG22 THR 89 HG22 THR 89 -14.218 -5.298 -7.881 647 HG23 THR 89 HG23 THR 89 -13.506 -4.627 -6.413 648 H ALA 90 H ALA 90 -14.136 -5.805 -2.969 649 HA ALA 90 HA ALA 90 -16.391 -7.464 -2.444 650 HB1 ALA 90 HB1 ALA 90 -15.171 -6.299 -0.665 651 HB2 ALA 90 HB2 ALA 90 -16.885 -5.885 -0.660 652 HB3 ALA 90 HB3 ALA 90 -15.705 -4.751 -1.318 653 H ASN 91 H ASN 91 -18.489 -7.200 -2.966 654 HA ASN 91 HA ASN 91 -19.275 -4.720 -4.342 655 HB2 ASN 91 HB2 ASN 91 -18.962 -6.468 -6.037 656 HB3 ASN 91 HB3 ASN 91 -20.045 -7.536 -5.153 657 HD21 ASN 91 HD21 ASN 91 -21.478 -7.734 -6.838 658 HD22 ASN 91 HD22 ASN 91 -22.503 -6.443 -7.357 659 H GLY 92 H GLY 92 -20.425 -7.667 -2.740 660 HA2 GLY 92 HA2 GLY 92 -22.924 -6.305 -2.045 661 HA3 GLY 92 HA3 GLY 92 -22.622 -8.031 -1.931 662 H ASP 93 H ASP 93 -20.422 -5.597 -0.698 663 HA ASP 93 HA ASP 93 -20.373 -6.812 1.872 664 HB2 ASP 93 HB2 ASP 93 -18.866 -4.974 2.499 665 HB3 ASP 93 HB3 ASP 93 -18.400 -5.683 0.957 666 H GLY 94 H GLY 94 -22.053 -4.048 0.513 667 HA2 GLY 94 HA2 GLY 94 -24.179 -3.394 1.301 668 HA3 GLY 94 HA3 GLY 94 -23.797 -4.103 2.860 669 H GLY 95 H GLY 95 -21.096 -2.463 2.241 670 HA2 GLY 95 HA2 GLY 95 -20.909 0.038 2.272 671 HA3 GLY 95 HA3 GLY 95 -22.166 -0.008 3.497 672 H ALA 96 H ALA 96 -19.245 -1.956 3.023 673 HA ALA 96 HA ALA 96 -18.517 -1.438 5.817 674 HB1 ALA 96 HB1 ALA 96 -18.651 -3.776 5.113 675 HB2 ALA 96 HB2 ALA 96 -17.003 -3.342 5.568 676 HB3 ALA 96 HB3 ALA 96 -17.443 -3.474 3.865 677 H LEU 97 H LEU 97 -16.756 -0.304 6.376 678 HA LEU 97 HA LEU 97 -15.372 1.277 4.485 679 HB2 LEU 97 HB2 LEU 97 -14.065 2.097 6.299 680 HB3 LEU 97 HB3 LEU 97 -15.703 1.897 6.880 681 HG LEU 97 HG LEU 97 -13.539 -0.141 7.399 682 HD11 LEU 97 HD11 LEU 97 -14.393 2.169 9.136 683 HD12 LEU 97 HD12 LEU 97 -12.838 2.005 8.321 684 HD13 LEU 97 HD13 LEU 97 -13.284 0.879 9.604 685 HD21 LEU 97 HD21 LEU 97 -15.022 -0.781 9.259 686 HD22 LEU 97 HD22 LEU 97 -15.800 -0.972 7.689 687 HD23 LEU 97 HD23 LEU 97 -16.201 0.410 8.710 688 H ALA 98 H ALA 98 -13.134 1.249 3.975 689 HA ALA 98 HA ALA 98 -11.175 0.337 3.285 690 HB1 ALA 98 HB1 ALA 98 -11.839 -2.053 5.003 691 HB2 ALA 98 HB2 ALA 98 -10.906 -0.648 5.518 692 HB3 ALA 98 HB3 ALA 98 -10.282 -1.705 4.252 693 H LEU 99 H LEU 99 -13.750 -2.106 3.449 694 HA LEU 99 HA LEU 99 -13.072 -3.418 1.049 695 HB2 LEU 99 HB2 LEU 99 -15.682 -3.195 2.544 696 HB3 LEU 99 HB3 LEU 99 -15.506 -4.158 1.093 697 HG LEU 99 HG LEU 99 -15.384 -5.635 2.953 698 HD11 LEU 99 HD11 LEU 99 -13.204 -6.644 2.689 699 HD12 LEU 99 HD12 LEU 99 -12.580 -5.161 1.970 700 HD13 LEU 99 HD13 LEU 99 -13.822 -6.092 1.132 701 HD21 LEU 99 HD21 LEU 99 -13.747 -5.404 4.752 702 HD22 LEU 99 HD22 LEU 99 -14.859 -4.036 4.704 703 HD23 LEU 99 HD23 LEU 99 -13.220 -3.863 4.076 704 H ASP 100 H ASP 100 -14.784 -0.509 1.773 705 HA ASP 100 HA ASP 100 -16.259 -0.124 -0.566 706 HB2 ASP 100 HB2 ASP 100 -16.276 2.246 0.013 707 HB3 ASP 100 HB3 ASP 100 -16.515 1.270 1.455 708 H SER 101 H SER 101 -12.859 0.310 0.069 709 HA SER 101 HA SER 101 -12.425 1.955 -2.256 710 HB2 SER 101 HB2 SER 101 -10.410 0.645 -0.414 711 HB3 SER 101 HB3 SER 101 -10.087 1.937 -1.570 712 HG SER 101 HG SER 101 -12.150 2.513 0.158 713 H LEU 102 H LEU 102 -12.444 -1.403 -1.515 714 HA LEU 102 HA LEU 102 -10.797 -2.255 -3.694 715 HB2 LEU 102 HB2 LEU 102 -12.885 -3.771 -2.124 716 HB3 LEU 102 HB3 LEU 102 -11.738 -4.489 -3.237 717 HG LEU 102 HG LEU 102 -11.027 -3.069 -0.668 718 HD11 LEU 102 HD11 LEU 102 -12.132 -5.211 -0.292 719 HD12 LEU 102 HD12 LEU 102 -10.424 -5.287 0.137 720 HD13 LEU 102 HD13 LEU 102 -10.986 -5.998 -1.376 721 HD21 LEU 102 HD21 LEU 102 -9.289 -2.821 -2.353 722 HD22 LEU 102 HD22 LEU 102 -9.304 -4.560 -2.646 723 HD23 LEU 102 HD23 LEU 102 -8.771 -3.933 -1.086 724 H THR 103 H THR 103 -14.111 -1.374 -3.276 725 HA THR 103 HA THR 103 -15.055 -2.509 -5.732 726 HB THR 103 HB THR 103 -16.324 -0.233 -4.209 727 HG1 THR 103 HG1 THR 103 -16.507 -3.045 -3.712 728 HG21 THR 103 HG21 THR 103 -17.310 -0.789 -6.389 729 HG22 THR 103 HG22 THR 103 -18.406 -1.193 -5.068 730 HG23 THR 103 HG23 THR 103 -17.493 -2.467 -5.878 731 H VAL 104 H VAL 104 -13.615 0.498 -4.716 732 HA VAL 104 HA VAL 104 -14.256 1.805 -7.243 733 HB VAL 104 HB VAL 104 -12.713 2.912 -4.890 734 HG11 VAL 104 HG11 VAL 104 -12.272 4.070 -6.997 735 HG12 VAL 104 HG12 VAL 104 -13.187 5.090 -5.888 736 HG13 VAL 104 HG13 VAL 104 -14.003 4.301 -7.236 737 HG21 VAL 104 HG21 VAL 104 -14.975 2.328 -4.217 738 HG22 VAL 104 HG22 VAL 104 -15.629 3.222 -5.589 739 HG23 VAL 104 HG23 VAL 104 -14.786 4.080 -4.300 740 H LEU 105 H LEU 105 -13.000 0.604 -8.661 741 HA LEU 105 HA LEU 105 -10.088 0.766 -8.318 742 HB2 LEU 105 HB2 LEU 105 -11.543 -1.390 -8.953 743 HB3 LEU 105 HB3 LEU 105 -11.347 -0.737 -10.565 744 HG LEU 105 HG LEU 105 -9.677 -2.458 -10.079 745 HD11 LEU 105 HD11 LEU 105 -7.663 -1.216 -10.689 746 HD12 LEU 105 HD12 LEU 105 -8.480 0.296 -10.293 747 HD13 LEU 105 HD13 LEU 105 -9.062 -0.698 -11.628 748 HD21 LEU 105 HD21 LEU 105 -8.704 -0.601 -7.913 749 HD22 LEU 105 HD22 LEU 105 -7.953 -2.118 -8.407 750 HD23 LEU 105 HD23 LEU 105 -9.548 -2.128 -7.654 751 H GLY 106 H GLY 106 -12.279 0.817 -11.137 752 HA2 GLY 106 HA2 GLY 106 -12.507 2.321 -12.853 753 HA3 GLY 106 HA3 GLY 106 -11.801 3.524 -11.787 754 H ALA 107 H ALA 107 -11.015 4.121 -14.053 755 HA ALA 107 HA ALA 107 -8.583 2.652 -14.766 756 HB1 ALA 107 HB1 ALA 107 -8.607 3.947 -16.826 757 HB2 ALA 107 HB2 ALA 107 -9.986 4.876 -16.243 758 HB3 ALA 107 HB3 ALA 107 -10.162 3.155 -16.578 759 H GLY 108 H GLY 108 -6.616 3.449 -14.336 760 HA2 GLY 108 HA2 GLY 108 -5.595 5.917 -14.310 761 HA3 GLY 108 HA3 GLY 108 -6.463 5.898 -12.782 762 H GLY 109 H GLY 109 -5.690 4.686 -11.075 763 HA2 GLY 109 HA2 GLY 109 -3.723 2.700 -11.245 764 HA3 GLY 109 HA3 GLY 109 -2.914 4.236 -10.973 765 H ASN 110 H ASN 110 -4.765 1.702 -9.560 766 HA ASN 110 HA ASN 110 -3.933 2.583 -6.966 767 HB2 ASN 110 HB2 ASN 110 -6.097 2.729 -5.904 768 HB3 ASN 110 HB3 ASN 110 -6.059 3.863 -7.246 769 HD21 ASN 110 HD21 ASN 110 -8.161 2.210 -5.732 770 HD22 ASN 110 HD22 ASN 110 -9.141 1.571 -7.008 771 H ASN 111 H ASN 111 -3.948 0.955 -5.453 772 HA ASN 111 HA ASN 111 -4.503 -1.711 -6.498 773 HB2 ASN 111 HB2 ASN 111 -3.176 -2.555 -4.647 774 HB3 ASN 111 HB3 ASN 111 -2.274 -1.285 -5.463 775 HD21 ASN 111 HD21 ASN 111 -1.953 -2.305 -2.779 776 HD22 ASN 111 HD22 ASN 111 -2.177 -0.968 -1.716 777 H ALA 112 H ALA 112 -5.493 0.555 -4.048 778 HA ALA 112 HA ALA 112 -8.019 -0.771 -3.752 779 HB1 ALA 112 HB1 ALA 112 -6.197 -0.542 -1.352 780 HB2 ALA 112 HB2 ALA 112 -6.682 -2.042 -2.142 781 HB3 ALA 112 HB3 ALA 112 -7.885 -1.049 -1.320 Start of MODEL 3 1 H1 SER 6 H1 SER 6 -13.986 20.880 9.725 2 H2 SER 6 H2 SER 6 -14.397 20.773 8.091 3 H3 SER 6 H3 SER 6 -14.533 22.250 8.900 4 HA SER 6 HA SER 6 -12.595 22.189 7.472 5 HB2 SER 6 HB2 SER 6 -11.904 22.194 10.417 6 HB3 SER 6 HB3 SER 6 -11.023 23.017 9.131 7 HG SER 6 HG SER 6 -12.288 24.621 9.649 8 H MET 7 H MET 7 -12.339 20.114 6.490 9 HA MET 7 HA MET 7 -10.409 18.397 7.912 10 HB2 MET 7 HB2 MET 7 -11.378 16.444 6.825 11 HB3 MET 7 HB3 MET 7 -12.605 17.296 7.752 12 HG2 MET 7 HG2 MET 7 -13.539 18.243 5.763 13 HG3 MET 7 HG3 MET 7 -12.223 17.601 4.785 14 HE1 MET 7 HE1 MET 7 -15.433 16.756 6.876 15 HE2 MET 7 HE2 MET 7 -14.188 15.831 7.714 16 HE3 MET 7 HE3 MET 7 -15.450 14.994 6.811 17 H ALA 8 H ALA 8 -10.486 20.603 5.643 18 HA ALA 8 HA ALA 8 -9.453 19.259 3.346 19 HB1 ALA 8 HB1 ALA 8 -8.994 21.470 2.474 20 HB2 ALA 8 HB2 ALA 8 -9.239 22.178 4.070 21 HB3 ALA 8 HB3 ALA 8 -10.593 21.440 3.217 22 H GLN 9 H GLN 9 -8.015 21.004 6.058 23 HA GLN 9 HA GLN 9 -5.331 20.617 5.064 24 HB2 GLN 9 HB2 GLN 9 -4.597 21.900 6.883 25 HB3 GLN 9 HB3 GLN 9 -6.153 22.602 6.475 26 HG2 GLN 9 HG2 GLN 9 -5.858 20.547 8.641 27 HG3 GLN 9 HG3 GLN 9 -5.589 22.260 8.937 28 HE21 GLN 9 HE21 GLN 9 -7.273 22.413 10.371 29 HE22 GLN 9 HE22 GLN 9 -8.929 22.353 9.887 30 H ALA 10 H ALA 10 -7.580 18.816 6.807 31 HA ALA 10 HA ALA 10 -5.755 17.382 8.495 32 HB1 ALA 10 HB1 ALA 10 -7.678 15.996 9.052 33 HB2 ALA 10 HB2 ALA 10 -8.606 16.740 7.751 34 HB3 ALA 10 HB3 ALA 10 -8.094 17.707 9.134 35 H ALA 11 H ALA 11 -6.671 17.202 5.231 36 HA ALA 11 HA ALA 11 -6.295 14.423 4.789 37 HB1 ALA 11 HB1 ALA 11 -6.146 15.017 2.423 38 HB2 ALA 11 HB2 ALA 11 -6.012 16.723 2.854 39 HB3 ALA 11 HB3 ALA 11 -7.499 15.841 3.197 40 H GLN 12 H GLN 12 -4.473 13.280 4.532 41 HA GLN 12 HA GLN 12 -1.950 14.630 5.013 42 HB2 GLN 12 HB2 GLN 12 -2.586 12.521 6.187 43 HB3 GLN 12 HB3 GLN 12 -2.528 11.686 4.644 44 HG2 GLN 12 HG2 GLN 12 -0.144 12.234 4.454 45 HG3 GLN 12 HG3 GLN 12 -0.217 13.025 6.030 46 HE21 GLN 12 HE21 GLN 12 1.394 10.760 5.213 47 HE22 GLN 12 HE22 GLN 12 0.961 9.451 6.257 48 H GLN 13 H GLN 13 -1.301 15.659 3.171 49 HA GLN 13 HA GLN 13 -1.055 14.003 0.746 50 HB2 GLN 13 HB2 GLN 13 -1.267 17.010 0.996 51 HB3 GLN 13 HB3 GLN 13 -0.989 16.144 -0.509 52 HG2 GLN 13 HG2 GLN 13 -3.424 15.824 1.230 53 HG3 GLN 13 HG3 GLN 13 -3.326 16.854 -0.198 54 HE21 GLN 13 HE21 GLN 13 -3.198 15.906 -2.234 55 HE22 GLN 13 HE22 GLN 13 -3.619 14.251 -2.504 56 H LYS 14 H LYS 14 0.947 13.153 0.935 57 HA LYS 14 HA LYS 14 3.159 15.021 1.481 58 HB2 LYS 14 HB2 LYS 14 2.996 12.030 1.877 59 HB3 LYS 14 HB3 LYS 14 4.471 12.968 2.063 60 HG2 LYS 14 HG2 LYS 14 1.956 13.218 3.698 61 HG3 LYS 14 HG3 LYS 14 3.505 12.554 4.220 62 HD2 LYS 14 HD2 LYS 14 4.522 14.798 3.760 63 HD3 LYS 14 HD3 LYS 14 2.892 15.411 3.480 64 HE2 LYS 14 HE2 LYS 14 3.565 15.912 5.740 65 HE3 LYS 14 HE3 LYS 14 2.270 14.717 5.759 66 HZ1 LYS 14 HZ1 LYS 14 3.926 12.987 6.089 67 HZ2 LYS 14 HZ2 LYS 14 4.010 14.138 7.320 68 HZ3 LYS 14 HZ3 LYS 14 5.166 14.137 6.086 69 H ASN 15 H ASN 15 4.999 14.958 0.197 70 HA ASN 15 HA ASN 15 4.463 14.229 -2.555 71 HB2 ASN 15 HB2 ASN 15 5.481 16.420 -2.003 72 HB3 ASN 15 HB3 ASN 15 6.876 15.585 -1.327 73 HD21 ASN 15 HD21 ASN 15 8.330 16.462 -2.742 74 HD22 ASN 15 HD22 ASN 15 8.374 16.057 -4.423 75 H PHE 16 H PHE 16 4.842 12.195 -3.141 76 HA PHE 16 HA PHE 16 7.023 10.729 -1.840 77 HB2 PHE 16 HB2 PHE 16 4.808 9.673 -3.612 78 HB3 PHE 16 HB3 PHE 16 5.960 8.709 -2.692 79 HD1 PHE 16 HD1 PHE 16 6.002 9.834 -0.085 80 HD2 PHE 16 HD2 PHE 16 2.703 9.415 -2.737 81 HE1 PHE 16 HE1 PHE 16 4.465 9.826 1.837 82 HE2 PHE 16 HE2 PHE 16 1.159 9.407 -0.822 83 HZ PHE 16 HZ PHE 16 2.040 9.617 1.469 84 H ASN 17 H ASN 17 8.817 10.196 -2.896 85 HA ASN 17 HA ASN 17 8.888 10.545 -5.822 86 HB2 ASN 17 HB2 ASN 17 11.167 11.127 -3.916 87 HB3 ASN 17 HB3 ASN 17 11.146 11.408 -5.652 88 HD21 ASN 17 HD21 ASN 17 9.832 13.105 -6.471 89 HD22 ASN 17 HD22 ASN 17 9.370 14.425 -5.456 90 H ILE 18 H ILE 18 8.624 8.356 -6.223 91 HA ILE 18 HA ILE 18 10.677 6.575 -5.072 92 HB ILE 18 HB ILE 18 7.961 5.676 -6.021 93 HG12 ILE 18 HG12 ILE 18 7.751 7.312 -4.136 94 HG13 ILE 18 HG13 ILE 18 7.165 5.700 -3.746 95 HG21 ILE 18 HG21 ILE 18 9.608 3.927 -5.934 96 HG22 ILE 18 HG22 ILE 18 8.490 3.716 -4.587 97 HG23 ILE 18 HG23 ILE 18 10.088 4.403 -4.307 98 HD11 ILE 18 HD11 ILE 18 9.836 6.844 -2.947 99 HD12 ILE 18 HD12 ILE 18 9.224 5.244 -2.525 100 HD13 ILE 18 HD13 ILE 18 8.421 6.686 -1.905 101 H ALA 19 H ALA 19 12.147 6.181 -6.600 102 HA ALA 19 HA ALA 19 11.491 5.843 -9.385 103 HB1 ALA 19 HB1 ALA 19 13.698 6.666 -8.729 104 HB2 ALA 19 HB2 ALA 19 13.841 5.144 -9.607 105 HB3 ALA 19 HB3 ALA 19 14.007 5.167 -7.851 106 H ALA 20 H ALA 20 11.956 3.700 -10.503 107 HA ALA 20 HA ALA 20 10.395 1.697 -9.228 108 HB1 ALA 20 HB1 ALA 20 10.897 0.329 -11.188 109 HB2 ALA 20 HB2 ALA 20 12.140 1.479 -11.681 110 HB3 ALA 20 HB3 ALA 20 10.446 1.968 -11.660 111 H GLN 21 H GLN 21 11.215 0.913 -7.421 112 HA GLN 21 HA GLN 21 13.871 -0.335 -7.454 113 HB2 GLN 21 HB2 GLN 21 12.079 0.337 -5.109 114 HB3 GLN 21 HB3 GLN 21 13.719 -0.295 -5.012 115 HG2 GLN 21 HG2 GLN 21 14.572 1.733 -6.049 116 HG3 GLN 21 HG3 GLN 21 12.932 2.366 -6.177 117 HE21 GLN 21 HE21 GLN 21 13.343 4.139 -4.915 118 HE22 GLN 21 HE22 GLN 21 13.614 4.036 -3.214 119 HA PRO 22 HA PRO 22 11.882 -4.388 -6.740 120 HB2 PRO 22 HB2 PRO 22 13.580 -4.772 -4.358 121 HB3 PRO 22 HB3 PRO 22 13.470 -5.756 -5.820 122 HG2 PRO 22 HG2 PRO 22 15.621 -4.234 -5.313 123 HG3 PRO 22 HG3 PRO 22 15.014 -4.472 -6.962 124 HD2 PRO 22 HD2 PRO 22 14.665 -2.127 -5.133 125 HD3 PRO 22 HD3 PRO 22 14.984 -2.154 -6.880 126 H LEU 23 H LEU 23 10.222 -5.133 -5.386 127 HA LEU 23 HA LEU 23 8.717 -3.171 -4.215 128 HB2 LEU 23 HB2 LEU 23 8.321 -5.782 -4.832 129 HB3 LEU 23 HB3 LEU 23 8.273 -5.844 -3.084 130 HG LEU 23 HG LEU 23 6.524 -4.122 -4.827 131 HD11 LEU 23 HD11 LEU 23 5.953 -6.482 -4.966 132 HD12 LEU 23 HD12 LEU 23 4.717 -5.590 -4.080 133 HD13 LEU 23 HD13 LEU 23 5.886 -6.581 -3.206 134 HD21 LEU 23 HD21 LEU 23 6.499 -4.500 -1.838 135 HD22 LEU 23 HD22 LEU 23 5.314 -3.594 -2.774 136 HD23 LEU 23 HD23 LEU 23 6.985 -3.036 -2.695 137 H GLN 24 H GLN 24 10.833 -5.478 -2.512 138 HA GLN 24 HA GLN 24 10.087 -4.742 0.093 139 HB2 GLN 24 HB2 GLN 24 11.920 -6.503 -1.103 140 HB3 GLN 24 HB3 GLN 24 12.876 -5.464 -0.057 141 HG2 GLN 24 HG2 GLN 24 10.425 -6.959 0.835 142 HG3 GLN 24 HG3 GLN 24 12.071 -7.556 1.009 143 HE21 GLN 24 HE21 GLN 24 13.200 -4.966 1.620 144 HE22 GLN 24 HE22 GLN 24 12.698 -4.577 3.227 145 H SER 25 H SER 25 12.764 -3.603 -1.946 146 HA SER 25 HA SER 25 13.733 -1.699 -0.097 147 HB2 SER 25 HB2 SER 25 15.093 -2.555 -1.961 148 HB3 SER 25 HB3 SER 25 14.019 -1.763 -3.111 149 HG SER 25 HG SER 25 14.709 0.218 -2.400 150 H ALA 26 H ALA 26 11.250 -1.609 -2.567 151 HA ALA 26 HA ALA 26 10.985 1.125 -2.967 152 HB1 ALA 26 HB1 ALA 26 8.784 -0.944 -2.906 153 HB2 ALA 26 HB2 ALA 26 9.821 -0.580 -4.289 154 HB3 ALA 26 HB3 ALA 26 8.704 0.642 -3.680 155 H MET 27 H MET 27 9.056 -0.875 -0.720 156 HA MET 27 HA MET 27 7.945 1.432 0.563 157 HB2 MET 27 HB2 MET 27 8.025 -1.408 1.566 158 HB3 MET 27 HB3 MET 27 6.991 -0.127 2.171 159 HG2 MET 27 HG2 MET 27 5.918 -0.048 -0.088 160 HG3 MET 27 HG3 MET 27 6.858 -1.476 -0.511 161 HE1 MET 27 HE1 MET 27 4.638 -2.814 -1.095 162 HE2 MET 27 HE2 MET 27 3.679 -1.390 -0.698 163 HE3 MET 27 HE3 MET 27 3.264 -2.955 -0.000 164 H LEU 28 H LEU 28 10.780 -0.509 1.015 165 HA LEU 28 HA LEU 28 11.335 0.215 3.682 166 HB2 LEU 28 HB2 LEU 28 12.471 -1.612 2.503 167 HB3 LEU 28 HB3 LEU 28 13.249 -0.449 1.445 168 HG LEU 28 HG LEU 28 14.357 0.517 3.498 169 HD11 LEU 28 HD11 LEU 28 14.480 -0.946 5.468 170 HD12 LEU 28 HD12 LEU 28 13.272 -2.005 4.742 171 HD13 LEU 28 HD13 LEU 28 12.845 -0.352 5.178 172 HD21 LEU 28 HD21 LEU 28 14.939 -2.358 2.798 173 HD22 LEU 28 HD22 LEU 28 16.047 -1.247 3.605 174 HD23 LEU 28 HD23 LEU 28 15.541 -0.935 1.946 175 H ARG 29 H ARG 29 11.738 1.860 0.639 176 HA ARG 29 HA ARG 29 13.305 3.999 1.837 177 HB2 ARG 29 HB2 ARG 29 12.270 3.617 -0.974 178 HB3 ARG 29 HB3 ARG 29 13.297 4.949 -0.456 179 HG2 ARG 29 HG2 ARG 29 14.047 2.041 -0.286 180 HG3 ARG 29 HG3 ARG 29 14.529 3.134 -1.586 181 HD2 ARG 29 HD2 ARG 29 15.886 4.402 -0.171 182 HD3 ARG 29 HD3 ARG 29 15.092 3.801 1.282 183 HE ARG 29 HE ARG 29 16.713 2.003 -0.384 184 HH11 ARG 29 HH11 ARG 29 16.058 3.583 2.686 185 HH12 ARG 29 HH12 ARG 29 17.231 2.636 3.556 186 HH21 ARG 29 HH21 ARG 29 18.233 0.754 0.770 187 HH22 ARG 29 HH22 ARG 29 18.468 1.031 2.465 188 H PHE 30 H PHE 30 10.086 3.487 0.498 189 HA PHE 30 HA PHE 30 9.197 6.160 0.851 190 HB2 PHE 30 HB2 PHE 30 7.858 4.996 -0.633 191 HB3 PHE 30 HB3 PHE 30 7.899 3.520 0.322 192 HD1 PHE 30 HD2 PHE 30 6.481 6.955 0.281 193 HD2 PHE 30 HD1 PHE 30 6.128 2.966 1.712 194 HE1 PHE 30 HE2 PHE 30 4.270 7.488 1.217 195 HE2 PHE 30 HE1 PHE 30 3.923 3.492 2.654 196 HZ PHE 30 HZ PHE 30 2.989 5.756 2.408 197 H ALA 31 H ALA 31 8.822 3.225 2.793 198 HA ALA 31 HA ALA 31 7.194 4.624 4.713 199 HB1 ALA 31 HB1 ALA 31 8.141 1.770 4.636 200 HB2 ALA 31 HB2 ALA 31 6.576 2.380 4.093 201 HB3 ALA 31 HB3 ALA 31 7.002 2.435 5.804 202 H GLU 32 H GLU 32 10.557 3.909 4.378 203 HA GLU 32 HA GLU 32 11.297 3.795 7.082 204 HB2 GLU 32 HB2 GLU 32 13.510 4.482 6.431 205 HB3 GLU 32 HB3 GLU 32 12.878 3.403 5.199 206 HG2 GLU 32 HG2 GLU 32 12.459 5.228 3.717 207 HG3 GLU 32 HG3 GLU 32 12.842 6.399 4.978 208 H GLN 33 H GLN 33 10.429 6.515 5.065 209 HA GLN 33 HA GLN 33 11.144 8.420 7.139 210 HB2 GLN 33 HB2 GLN 33 9.891 8.853 4.421 211 HB3 GLN 33 HB3 GLN 33 10.433 10.124 5.509 212 HG2 GLN 33 HG2 GLN 33 12.729 9.241 5.349 213 HG3 GLN 33 HG3 GLN 33 12.158 8.039 4.194 214 HE21 GLN 33 HE21 GLN 33 14.142 10.138 3.871 215 HE22 GLN 33 HE22 GLN 33 13.600 11.108 2.544 216 H ALA 34 H ALA 34 8.364 6.760 5.925 217 HA ALA 34 HA ALA 34 6.458 8.527 7.173 218 HB1 ALA 34 HB1 ALA 34 4.774 6.976 6.406 219 HB2 ALA 34 HB2 ALA 34 6.009 5.781 6.015 220 HB3 ALA 34 HB3 ALA 34 5.924 7.289 5.106 221 H GLY 35 H GLY 35 8.173 5.624 8.017 222 HA2 GLY 35 HA2 GLY 35 8.515 5.035 10.308 223 HA3 GLY 35 HA3 GLY 35 6.950 5.739 10.688 224 H MET 36 H MET 36 7.657 3.495 8.051 225 HA MET 36 HA MET 36 6.279 1.336 9.461 226 HB2 MET 36 HB2 MET 36 5.378 2.505 6.826 227 HB3 MET 36 HB3 MET 36 4.905 0.902 7.366 228 HG2 MET 36 HG2 MET 36 3.806 1.864 9.307 229 HG3 MET 36 HG3 MET 36 4.321 3.475 8.816 230 HE1 MET 36 HE1 MET 36 3.397 4.763 6.734 231 HE2 MET 36 HE2 MET 36 2.251 4.089 5.575 232 HE3 MET 36 HE3 MET 36 3.892 3.450 5.666 233 H GLN 37 H GLN 37 6.263 -0.682 7.956 234 HA GLN 37 HA GLN 37 8.415 -0.837 6.039 235 HB2 GLN 37 HB2 GLN 37 9.516 -1.121 8.300 236 HB3 GLN 37 HB3 GLN 37 8.553 -2.577 8.510 237 HG2 GLN 37 HG2 GLN 37 9.602 -3.565 6.543 238 HG3 GLN 37 HG3 GLN 37 10.558 -2.101 6.305 239 HE21 GLN 37 HE21 GLN 37 9.848 -3.461 9.448 240 HE22 GLN 37 HE22 GLN 37 11.462 -3.965 9.804 241 H VAL 38 H VAL 38 8.502 -3.086 5.084 242 HA VAL 38 HA VAL 38 5.808 -3.815 4.427 243 HB VAL 38 HB VAL 38 8.287 -5.311 3.579 244 HG11 VAL 38 HG11 VAL 38 6.149 -6.364 3.064 245 HG12 VAL 38 HG12 VAL 38 6.965 -5.834 1.593 246 HG13 VAL 38 HG13 VAL 38 5.616 -4.899 2.239 247 HG21 VAL 38 HG21 VAL 38 8.664 -2.942 3.143 248 HG22 VAL 38 HG22 VAL 38 7.123 -2.854 2.288 249 HG23 VAL 38 HG23 VAL 38 8.436 -3.839 1.640 250 H PHE 39 H PHE 39 4.639 -5.145 5.658 251 HA PHE 39 HA PHE 39 5.986 -7.410 6.959 252 HB2 PHE 39 HB2 PHE 39 4.589 -5.964 8.420 253 HB3 PHE 39 HB3 PHE 39 3.194 -6.322 7.409 254 HD1 PHE 39 HD1 PHE 39 5.692 -7.844 9.670 255 HD2 PHE 39 HD2 PHE 39 1.914 -8.253 7.762 256 HE1 PHE 39 HE1 PHE 39 5.216 -9.823 11.048 257 HE2 PHE 39 HE2 PHE 39 1.427 -10.231 9.138 258 HZ PHE 39 HZ PHE 39 3.082 -11.018 10.784 259 H PHE 40 H PHE 40 6.119 -8.979 5.460 260 HA PHE 40 HA PHE 40 3.713 -9.582 3.886 261 HB2 PHE 40 HB2 PHE 40 5.163 -10.075 1.957 262 HB3 PHE 40 HB3 PHE 40 5.315 -8.401 2.474 263 HD1 PHE 40 HD1 PHE 40 7.306 -7.866 4.057 264 HD2 PHE 40 HD2 PHE 40 7.061 -11.355 1.631 265 HE1 PHE 40 HE1 PHE 40 9.747 -8.127 4.188 266 HE2 PHE 40 HE2 PHE 40 9.503 -11.620 1.762 267 HZ PHE 40 HZ PHE 40 10.848 -10.005 3.044 268 H ASP 41 H ASP 41 3.216 -11.676 3.570 269 HA ASP 41 HA ASP 41 4.977 -13.661 4.843 270 HB2 ASP 41 HB2 ASP 41 1.965 -13.601 4.625 271 HB3 ASP 41 HB3 ASP 41 2.867 -15.030 5.118 272 H GLU 42 H GLU 42 2.166 -14.263 2.822 273 HA GLU 42 HA GLU 42 3.920 -15.648 0.927 274 HB2 GLU 42 HB2 GLU 42 0.944 -15.855 1.380 275 HB3 GLU 42 HB3 GLU 42 1.808 -16.707 0.110 276 HG2 GLU 42 HG2 GLU 42 2.193 -17.036 3.076 277 HG3 GLU 42 HG3 GLU 42 1.413 -18.173 1.978 278 H VAL 43 H VAL 43 4.635 -13.915 -0.269 279 HA VAL 43 HA VAL 43 2.628 -12.761 -2.069 280 HB VAL 43 HB VAL 43 3.879 -10.619 -2.100 281 HG11 VAL 43 HG11 VAL 43 2.848 -11.426 0.618 282 HG12 VAL 43 HG12 VAL 43 1.885 -10.809 -0.724 283 HG13 VAL 43 HG13 VAL 43 3.075 -9.770 0.058 284 HG21 VAL 43 HG21 VAL 43 5.364 -11.788 0.254 285 HG22 VAL 43 HG22 VAL 43 5.483 -10.122 -0.316 286 HG23 VAL 43 HG23 VAL 43 6.044 -11.448 -1.337 287 H LYS 44 H LYS 44 4.075 -11.482 -3.857 288 HA LYS 44 HA LYS 44 5.570 -13.521 -5.182 289 HB2 LYS 44 HB2 LYS 44 4.203 -11.901 -6.421 290 HB3 LYS 44 HB3 LYS 44 5.225 -10.594 -5.855 291 HG2 LYS 44 HG2 LYS 44 7.082 -11.397 -7.126 292 HG3 LYS 44 HG3 LYS 44 6.210 -12.871 -7.557 293 HD2 LYS 44 HD2 LYS 44 5.288 -10.101 -8.312 294 HD3 LYS 44 HD3 LYS 44 6.280 -11.121 -9.357 295 HE2 LYS 44 HE2 LYS 44 4.570 -12.775 -9.499 296 HE3 LYS 44 HE3 LYS 44 3.628 -11.989 -8.234 297 HZ1 LYS 44 HZ1 LYS 44 4.226 -10.717 -10.843 298 HZ2 LYS 44 HZ2 LYS 44 3.123 -10.194 -9.668 299 HZ3 LYS 44 HZ3 LYS 44 2.821 -11.609 -10.544 300 H LEU 45 H LEU 45 7.734 -13.528 -5.709 301 HA LEU 45 HA LEU 45 9.482 -12.894 -3.621 302 HB2 LEU 45 HB2 LEU 45 10.081 -13.566 -6.505 303 HB3 LEU 45 HB3 LEU 45 11.287 -13.487 -5.240 304 HG LEU 45 HG LEU 45 10.857 -15.771 -5.507 305 HD11 LEU 45 HD11 LEU 45 10.840 -15.049 -3.166 306 HD12 LEU 45 HD12 LEU 45 9.849 -16.483 -3.434 307 HD13 LEU 45 HD13 LEU 45 9.083 -14.907 -3.233 308 HD21 LEU 45 HD21 LEU 45 8.834 -15.550 -6.880 309 HD22 LEU 45 HD22 LEU 45 7.899 -15.201 -5.427 310 HD23 LEU 45 HD23 LEU 45 8.661 -16.777 -5.627 311 H ASP 46 H ASP 46 10.842 -11.257 -3.251 312 HA ASP 46 HA ASP 46 10.333 -8.715 -4.245 313 HB2 ASP 46 HB2 ASP 46 11.485 -9.077 -2.114 314 HB3 ASP 46 HB3 ASP 46 12.887 -9.715 -2.969 315 H GLY 47 H GLY 47 11.516 -7.339 -5.599 316 HA2 GLY 47 HA2 GLY 47 13.185 -7.224 -7.451 317 HA3 GLY 47 HA3 GLY 47 12.665 -8.859 -7.860 318 H MET 48 H MET 48 9.911 -8.043 -6.985 319 HA MET 48 HA MET 48 8.701 -7.230 -9.346 320 HB2 MET 48 HB2 MET 48 7.361 -8.191 -7.625 321 HB3 MET 48 HB3 MET 48 7.869 -6.980 -6.458 322 HG2 MET 48 HG2 MET 48 5.597 -6.582 -7.160 323 HG3 MET 48 HG3 MET 48 6.643 -5.271 -7.696 324 HE1 MET 48 HE1 MET 48 4.745 -4.438 -9.363 325 HE2 MET 48 HE2 MET 48 3.716 -5.744 -8.772 326 HE3 MET 48 HE3 MET 48 3.927 -5.504 -10.506 327 H GLN 49 H GLN 49 8.744 -5.359 -10.398 328 HA GLN 49 HA GLN 49 10.166 -3.122 -9.403 329 HB2 GLN 49 HB2 GLN 49 8.387 -3.468 -11.810 330 HB3 GLN 49 HB3 GLN 49 9.245 -1.977 -11.460 331 HG2 GLN 49 HG2 GLN 49 11.370 -3.168 -11.599 332 HG3 GLN 49 HG3 GLN 49 10.504 -4.663 -11.953 333 HE21 GLN 49 HE21 GLN 49 9.459 -1.575 -13.181 334 HE22 GLN 49 HE22 GLN 49 9.861 -1.875 -14.835 335 H ALA 50 H ALA 50 9.509 -1.447 -8.251 336 HA ALA 50 HA ALA 50 6.709 -1.046 -7.653 337 HB1 ALA 50 HB1 ALA 50 8.405 -0.650 -5.935 338 HB2 ALA 50 HB2 ALA 50 7.508 0.828 -6.288 339 HB3 ALA 50 HB3 ALA 50 9.134 0.606 -6.936 340 H ALA 51 H ALA 51 5.454 0.673 -8.362 341 HA ALA 51 HA ALA 51 6.023 1.621 -10.982 342 HB1 ALA 51 HB1 ALA 51 3.919 2.825 -10.793 343 HB2 ALA 51 HB2 ALA 51 3.879 2.512 -9.058 344 HB3 ALA 51 HB3 ALA 51 3.744 1.174 -10.199 345 H ALA 52 H ALA 52 6.578 3.653 -11.686 346 HA ALA 52 HA ALA 52 8.220 5.223 -10.001 347 HB1 ALA 52 HB1 ALA 52 8.421 6.726 -11.892 348 HB2 ALA 52 HB2 ALA 52 7.047 5.953 -12.680 349 HB3 ALA 52 HB3 ALA 52 8.542 5.052 -12.434 350 H LEU 53 H LEU 53 7.053 5.888 -8.243 351 HA LEU 53 HA LEU 53 4.625 7.454 -8.646 352 HB2 LEU 53 HB2 LEU 53 4.466 5.739 -6.986 353 HB3 LEU 53 HB3 LEU 53 5.943 6.269 -6.210 354 HG LEU 53 HG LEU 53 4.816 8.335 -5.486 355 HD11 LEU 53 HD11 LEU 53 3.162 8.515 -7.275 356 HD12 LEU 53 HD12 LEU 53 2.390 8.535 -5.690 357 HD13 LEU 53 HD13 LEU 53 2.345 7.071 -6.673 358 HD21 LEU 53 HD21 LEU 53 3.408 7.313 -3.789 359 HD22 LEU 53 HD22 LEU 53 4.880 6.371 -4.031 360 HD23 LEU 53 HD23 LEU 53 3.354 5.816 -4.718 361 H ASN 54 H ASN 54 4.787 9.568 -8.854 362 HA ASN 54 HA ASN 54 6.542 11.041 -7.043 363 HB2 ASN 54 HB2 ASN 54 7.822 10.816 -9.138 364 HB3 ASN 54 HB3 ASN 54 6.472 11.495 -10.039 365 HD21 ASN 54 HD21 ASN 54 6.033 13.686 -9.884 366 HD22 ASN 54 HD22 ASN 54 7.177 14.815 -9.246 367 H GLY 55 H GLY 55 4.884 11.916 -5.908 368 HA2 GLY 55 HA2 GLY 55 3.529 14.150 -6.908 369 HA3 GLY 55 HA3 GLY 55 2.432 12.779 -7.002 370 H SER 56 H SER 56 1.750 14.892 -5.436 371 HA SER 56 HA SER 56 2.370 14.048 -2.698 372 HB2 SER 56 HB2 SER 56 0.965 16.546 -3.679 373 HB3 SER 56 HB3 SER 56 1.393 16.193 -2.004 374 HG SER 56 HG SER 56 3.270 16.361 -4.129 375 H MET 57 H MET 57 1.039 12.611 -1.854 376 HA MET 57 HA MET 57 -1.820 13.000 -1.976 377 HB2 MET 57 HB2 MET 57 -2.299 10.735 -2.850 378 HB3 MET 57 HB3 MET 57 -1.502 11.760 -4.035 379 HG2 MET 57 HG2 MET 57 0.648 10.658 -3.454 380 HG3 MET 57 HG3 MET 57 -0.248 9.559 -2.409 381 HE1 MET 57 HE1 MET 57 0.396 10.759 -6.071 382 HE2 MET 57 HE2 MET 57 -1.344 11.007 -5.935 383 HE3 MET 57 HE3 MET 57 -0.714 9.751 -7.000 384 H SER 58 H SER 58 -2.772 10.733 -0.916 385 HA SER 58 HA SER 58 -1.547 10.741 1.708 386 HB2 SER 58 HB2 SER 58 -4.060 9.330 0.788 387 HB3 SER 58 HB3 SER 58 -3.564 9.624 2.455 388 HG SER 58 HG SER 58 -3.534 11.971 1.481 389 H VAL 59 H VAL 59 -1.746 8.464 2.879 390 HA VAL 59 HA VAL 59 0.235 6.810 1.721 391 HB VAL 59 HB VAL 59 -1.672 6.110 3.959 392 HG11 VAL 59 HG11 VAL 59 0.087 4.562 4.671 393 HG12 VAL 59 HG12 VAL 59 1.025 4.980 3.238 394 HG13 VAL 59 HG13 VAL 59 -0.529 4.164 3.068 395 HG21 VAL 59 HG21 VAL 59 0.106 6.871 5.470 396 HG22 VAL 59 HG22 VAL 59 -0.503 8.181 4.457 397 HG23 VAL 59 HG23 VAL 59 1.042 7.417 4.078 398 H GLU 60 H GLU 60 -3.270 6.460 2.070 399 HA GLU 60 HA GLU 60 -3.647 3.949 0.984 400 HB2 GLU 60 HB2 GLU 60 -5.357 6.426 0.680 401 HB3 GLU 60 HB3 GLU 60 -5.885 4.806 0.254 402 HG2 GLU 60 HG2 GLU 60 -5.033 5.644 3.012 403 HG3 GLU 60 HG3 GLU 60 -6.703 5.594 2.449 404 H GLN 61 H GLN 61 -3.955 7.007 -0.816 405 HA GLN 61 HA GLN 61 -4.170 5.911 -3.358 406 HB2 GLN 61 HB2 GLN 61 -3.144 8.588 -2.428 407 HB3 GLN 61 HB3 GLN 61 -3.265 8.178 -4.132 408 HG2 GLN 61 HG2 GLN 61 -5.186 9.447 -3.492 409 HG3 GLN 61 HG3 GLN 61 -5.684 7.794 -3.833 410 HE21 GLN 61 HE21 GLN 61 -7.549 7.997 -2.632 411 HE22 GLN 61 HE22 GLN 61 -7.541 8.038 -0.901 412 H GLY 62 H GLY 62 -1.266 6.907 -1.583 413 HA2 GLY 62 HA2 GLY 62 0.596 6.608 -3.635 414 HA3 GLY 62 HA3 GLY 62 0.946 6.450 -1.919 415 H LEU 63 H LEU 63 -0.217 4.264 -1.077 416 HA LEU 63 HA LEU 63 1.464 2.234 -1.979 417 HB2 LEU 63 HB2 LEU 63 -0.895 2.400 -0.191 418 HB3 LEU 63 HB3 LEU 63 -0.412 0.812 -0.721 419 HG LEU 63 HG LEU 63 0.516 1.347 1.470 420 HD11 LEU 63 HD11 LEU 63 1.796 -0.157 0.103 421 HD12 LEU 63 HD12 LEU 63 2.894 0.895 0.994 422 HD13 LEU 63 HD13 LEU 63 2.582 1.191 -0.715 423 HD21 LEU 63 HD21 LEU 63 2.172 3.091 1.749 424 HD22 LEU 63 HD22 LEU 63 0.645 3.775 1.196 425 HD23 LEU 63 HD23 LEU 63 1.980 3.570 0.064 426 H ARG 64 H ARG 64 -1.973 2.784 -2.662 427 HA ARG 64 HA ARG 64 -2.568 0.495 -4.095 428 HB2 ARG 64 HB2 ARG 64 -3.541 3.311 -4.611 429 HB3 ARG 64 HB3 ARG 64 -4.279 1.857 -5.267 430 HG2 ARG 64 HG2 ARG 64 -4.943 1.124 -3.106 431 HG3 ARG 64 HG3 ARG 64 -3.996 2.391 -2.325 432 HD2 ARG 64 HD2 ARG 64 -5.447 4.068 -3.489 433 HD3 ARG 64 HD3 ARG 64 -6.461 2.727 -4.024 434 HE ARG 64 HE ARG 64 -6.307 2.394 -1.330 435 HH11 ARG 64 HH11 ARG 64 -7.314 5.023 -3.417 436 HH12 ARG 64 HH12 ARG 64 -8.387 5.709 -2.239 437 HH21 ARG 64 HH21 ARG 64 -7.720 3.298 0.217 438 HH22 ARG 64 HH22 ARG 64 -8.621 4.731 -0.180 439 H ARG 65 H ARG 65 -1.308 3.565 -5.374 440 HA ARG 65 HA ARG 65 -1.150 2.528 -8.059 441 HB2 ARG 65 HB2 ARG 65 -0.051 5.114 -6.936 442 HB3 ARG 65 HB3 ARG 65 -0.294 4.730 -8.635 443 HG2 ARG 65 HG2 ARG 65 -2.688 4.660 -8.317 444 HG3 ARG 65 HG3 ARG 65 -2.490 4.933 -6.586 445 HD2 ARG 65 HD2 ARG 65 -1.446 7.111 -7.080 446 HD3 ARG 65 HD3 ARG 65 -1.729 6.836 -8.798 447 HE ARG 65 HE ARG 65 -4.109 6.640 -7.205 448 HH11 ARG 65 HH11 ARG 65 -1.986 8.835 -8.907 449 HH12 ARG 65 HH12 ARG 65 -3.203 10.054 -9.117 450 HH21 ARG 65 HH21 ARG 65 -5.714 8.238 -7.468 451 HH22 ARG 65 HH22 ARG 65 -5.325 9.714 -8.291 452 H LEU 66 H LEU 66 0.974 2.923 -5.361 453 HA LEU 66 HA LEU 66 3.434 2.948 -6.763 454 HB2 LEU 66 HB2 LEU 66 3.176 3.843 -4.515 455 HB3 LEU 66 HB3 LEU 66 2.793 2.250 -3.902 456 HG LEU 66 HG LEU 66 5.066 1.498 -4.354 457 HD11 LEU 66 HD11 LEU 66 5.497 2.880 -6.334 458 HD12 LEU 66 HD12 LEU 66 6.775 3.031 -5.130 459 HD13 LEU 66 HD13 LEU 66 5.575 4.310 -5.307 460 HD21 LEU 66 HD21 LEU 66 6.222 2.923 -2.714 461 HD22 LEU 66 HD22 LEU 66 4.587 2.504 -2.199 462 HD23 LEU 66 HD23 LEU 66 4.922 4.108 -2.851 463 H ILE 67 H ILE 67 1.659 0.336 -5.098 464 HA ILE 67 HA ILE 67 3.812 -1.523 -5.502 465 HB ILE 67 HB ILE 67 0.976 -2.285 -4.833 466 HG12 ILE 67 HG12 ILE 67 3.063 -1.489 -2.801 467 HG13 ILE 67 HG13 ILE 67 1.829 -0.375 -3.380 468 HG21 ILE 67 HG21 ILE 67 3.638 -3.470 -4.059 469 HG22 ILE 67 HG22 ILE 67 2.557 -4.091 -5.306 470 HG23 ILE 67 HG23 ILE 67 2.052 -4.101 -3.616 471 HD11 ILE 67 HD11 ILE 67 1.180 -1.368 -1.261 472 HD12 ILE 67 HD12 ILE 67 1.332 -2.981 -1.955 473 HD13 ILE 67 HD13 ILE 67 0.089 -1.880 -2.547 474 H GLY 68 H GLY 68 0.429 -1.642 -6.622 475 HA2 GLY 68 HA2 GLY 68 1.398 -3.024 -9.043 476 HA3 GLY 68 HA3 GLY 68 -0.128 -3.397 -8.261 477 H GLY 69 H GLY 69 -1.131 -0.875 -7.815 478 HA2 GLY 69 HA2 GLY 69 -2.103 0.890 -9.104 479 HA3 GLY 69 HA3 GLY 69 -1.636 0.029 -10.568 480 H ASN 70 H ASN 70 -2.648 -2.278 -8.540 481 HA ASN 70 HA ASN 70 -5.372 -2.320 -9.630 482 HB2 ASN 70 HB2 ASN 70 -3.739 -4.500 -8.297 483 HB3 ASN 70 HB3 ASN 70 -5.365 -4.705 -8.933 484 HD21 ASN 70 HD21 ASN 70 -2.843 -6.029 -9.605 485 HD22 ASN 70 HD22 ASN 70 -2.637 -5.805 -11.308 486 HA PRO 71 HA PRO 71 -7.207 -1.743 -5.556 487 HB2 PRO 71 HB2 PRO 71 -9.055 -3.957 -6.208 488 HB3 PRO 71 HB3 PRO 71 -9.417 -2.272 -5.824 489 HG2 PRO 71 HG2 PRO 71 -9.691 -3.213 -8.311 490 HG3 PRO 71 HG3 PRO 71 -9.102 -1.568 -8.007 491 HD2 PRO 71 HD2 PRO 71 -7.555 -4.031 -8.727 492 HD3 PRO 71 HD3 PRO 71 -7.363 -2.367 -9.320 493 H VAL 72 H VAL 72 -6.400 -2.525 -3.690 494 HA VAL 72 HA VAL 72 -6.231 -5.377 -3.224 495 HB VAL 72 HB VAL 72 -4.060 -4.450 -4.404 496 HG11 VAL 72 HG11 VAL 72 -3.686 -2.590 -2.881 497 HG12 VAL 72 HG12 VAL 72 -2.346 -3.734 -2.815 498 HG13 VAL 72 HG13 VAL 72 -3.549 -3.712 -1.526 499 HG21 VAL 72 HG21 VAL 72 -3.936 -6.212 -1.965 500 HG22 VAL 72 HG22 VAL 72 -2.743 -6.148 -3.263 501 HG23 VAL 72 HG23 VAL 72 -4.376 -6.727 -3.593 502 H ALA 73 H ALA 73 -5.477 -5.788 -0.913 503 HA ALA 73 HA ALA 73 -6.495 -3.577 0.736 504 HB1 ALA 73 HB1 ALA 73 -7.900 -5.574 0.779 505 HB2 ALA 73 HB2 ALA 73 -7.170 -5.270 2.357 506 HB3 ALA 73 HB3 ALA 73 -6.522 -6.535 1.312 507 H PHE 74 H PHE 74 -5.003 -2.572 1.860 508 HA PHE 74 HA PHE 74 -2.783 -4.128 2.959 509 HB2 PHE 74 HB2 PHE 74 -1.221 -2.246 2.425 510 HB3 PHE 74 HB3 PHE 74 -1.864 -3.052 1.001 511 HD1 PHE 74 HD1 PHE 74 -3.572 -1.947 -0.379 512 HD2 PHE 74 HD2 PHE 74 -1.668 0.065 2.852 513 HE1 PHE 74 HE1 PHE 74 -4.320 0.211 -1.286 514 HE2 PHE 74 HE2 PHE 74 -2.417 2.233 1.950 515 HZ PHE 74 HZ PHE 74 -3.747 2.300 -0.123 516 H ARG 75 H ARG 75 -2.728 -3.940 5.053 517 HA ARG 75 HA ARG 75 -4.256 -1.787 6.308 518 HB2 ARG 75 HB2 ARG 75 -4.808 -4.120 6.886 519 HB3 ARG 75 HB3 ARG 75 -3.167 -4.360 7.464 520 HG2 ARG 75 HG2 ARG 75 -3.521 -2.733 9.228 521 HG3 ARG 75 HG3 ARG 75 -5.150 -2.415 8.626 522 HD2 ARG 75 HD2 ARG 75 -5.755 -4.751 9.052 523 HD3 ARG 75 HD3 ARG 75 -4.131 -5.056 9.667 524 HE ARG 75 HE ARG 75 -5.093 -2.970 11.170 525 HH11 ARG 75 HH11 ARG 75 -6.108 -6.249 10.498 526 HH12 ARG 75 HH12 ARG 75 -6.870 -6.465 12.041 527 HH21 ARG 75 HH21 ARG 75 -6.113 -3.246 13.196 528 HH22 ARG 75 HH22 ARG 75 -6.870 -4.761 13.576 529 H LEU 76 H LEU 76 -3.170 -0.068 6.955 530 HA LEU 76 HA LEU 76 -0.327 -0.199 7.476 531 HB2 LEU 76 HB2 LEU 76 -2.262 2.113 7.733 532 HB3 LEU 76 HB3 LEU 76 -0.526 2.231 7.917 533 HG LEU 76 HG LEU 76 -0.960 3.066 5.775 534 HD11 LEU 76 HD11 LEU 76 0.895 1.508 5.776 535 HD12 LEU 76 HD12 LEU 76 0.051 1.475 4.226 536 HD13 LEU 76 HD13 LEU 76 -0.200 0.179 5.395 537 HD21 LEU 76 HD21 LEU 76 -3.284 2.284 5.610 538 HD22 LEU 76 HD22 LEU 76 -2.695 0.674 5.196 539 HD23 LEU 76 HD23 LEU 76 -2.375 2.033 4.120 540 H GLN 77 H GLN 77 0.111 -1.260 9.336 541 HA GLN 77 HA GLN 77 -1.566 -0.839 11.651 542 HB2 GLN 77 HB2 GLN 77 -1.090 -3.023 11.807 543 HB3 GLN 77 HB3 GLN 77 0.247 -2.888 10.676 544 HG2 GLN 77 HG2 GLN 77 1.751 -2.299 12.400 545 HG3 GLN 77 HG3 GLN 77 0.442 -2.126 13.565 546 HE21 GLN 77 HE21 GLN 77 0.508 -4.711 11.245 547 HE22 GLN 77 HE22 GLN 77 0.829 -5.984 12.369 548 HA PRO 78 HA PRO 78 0.697 2.552 13.234 549 HB2 PRO 78 HB2 PRO 78 0.011 1.412 15.893 550 HB3 PRO 78 HB3 PRO 78 -0.289 3.028 15.247 551 HG2 PRO 78 HG2 PRO 78 -2.273 1.284 15.440 552 HG3 PRO 78 HG3 PRO 78 -2.137 2.336 14.017 553 HD2 PRO 78 HD2 PRO 78 -1.435 -0.559 14.310 554 HD3 PRO 78 HD3 PRO 78 -2.208 0.287 12.954 555 H GLN 79 H GLN 79 1.558 -0.677 14.162 556 HA GLN 79 HA GLN 79 3.910 0.152 15.619 557 HB2 GLN 79 HB2 GLN 79 3.000 -2.578 14.701 558 HB3 GLN 79 HB3 GLN 79 4.440 -2.287 15.668 559 HG2 GLN 79 HG2 GLN 79 2.937 -1.213 17.376 560 HG3 GLN 79 HG3 GLN 79 1.574 -1.829 16.442 561 HE21 GLN 79 HE21 GLN 79 1.178 -4.045 16.395 562 HE22 GLN 79 HE22 GLN 79 1.905 -5.130 17.534 563 H GLY 80 H GLY 80 3.333 0.641 12.609 564 HA2 GLY 80 HA2 GLY 80 4.809 1.225 10.936 565 HA3 GLY 80 HA3 GLY 80 6.115 0.551 11.896 566 H GLN 81 H GLN 81 3.171 -1.068 10.772 567 HA GLN 81 HA GLN 81 4.861 -2.772 9.073 568 HB2 GLN 81 HB2 GLN 81 2.756 -3.732 11.021 569 HB3 GLN 81 HB3 GLN 81 3.552 -4.747 9.828 570 HG2 GLN 81 HG2 GLN 81 5.694 -4.371 10.898 571 HG3 GLN 81 HG3 GLN 81 4.942 -3.280 12.059 572 HE21 GLN 81 HE21 GLN 81 3.425 -6.224 10.960 573 HE22 GLN 81 HE22 GLN 81 3.571 -7.087 12.449 574 H ILE 82 H ILE 82 4.157 -2.677 7.064 575 HA ILE 82 HA ILE 82 1.368 -2.054 6.491 576 HB ILE 82 HB ILE 82 3.639 -2.576 4.557 577 HG12 ILE 82 HG12 ILE 82 2.513 0.052 5.552 578 HG13 ILE 82 HG13 ILE 82 4.074 -0.621 6.004 579 HG21 ILE 82 HG21 ILE 82 2.185 -1.447 2.923 580 HG22 ILE 82 HG22 ILE 82 0.914 -1.350 4.141 581 HG23 ILE 82 HG23 ILE 82 1.454 -2.923 3.555 582 HD11 ILE 82 HD11 ILE 82 4.823 -0.441 3.689 583 HD12 ILE 82 HD12 ILE 82 4.311 1.121 4.332 584 HD13 ILE 82 HD13 ILE 82 3.255 0.229 3.235 585 H VAL 83 H VAL 83 0.079 -3.772 6.816 586 HA VAL 83 HA VAL 83 0.982 -6.442 6.027 587 HB VAL 83 HB VAL 83 -1.582 -5.673 7.431 588 HG11 VAL 83 HG11 VAL 83 -1.610 -8.032 8.127 589 HG12 VAL 83 HG12 VAL 83 -0.170 -8.323 7.149 590 HG13 VAL 83 HG13 VAL 83 -1.683 -7.852 6.373 591 HG21 VAL 83 HG21 VAL 83 0.294 -4.960 8.782 592 HG22 VAL 83 HG22 VAL 83 1.049 -6.545 8.615 593 HG23 VAL 83 HG23 VAL 83 -0.462 -6.379 9.506 594 H LEU 84 H LEU 84 0.735 -6.673 3.857 595 HA LEU 84 HA LEU 84 -1.702 -5.706 2.592 596 HB2 LEU 84 HB2 LEU 84 0.749 -5.404 1.734 597 HB3 LEU 84 HB3 LEU 84 0.566 -7.049 1.160 598 HG LEU 84 HG LEU 84 -1.293 -4.808 0.375 599 HD11 LEU 84 HD11 LEU 84 1.063 -5.911 -1.136 600 HD12 LEU 84 HD12 LEU 84 0.974 -4.318 -0.384 601 HD13 LEU 84 HD13 LEU 84 -0.097 -4.720 -1.729 602 HD21 LEU 84 HD21 LEU 84 -1.911 -6.314 -1.426 603 HD22 LEU 84 HD22 LEU 84 -2.218 -7.034 0.154 604 HD23 LEU 84 HD23 LEU 84 -0.814 -7.538 -0.785 605 H SER 85 H SER 85 -3.252 -7.028 1.759 606 HA SER 85 HA SER 85 -2.775 -9.916 1.716 607 HB2 SER 85 HB2 SER 85 -5.156 -8.651 3.099 608 HB3 SER 85 HB3 SER 85 -4.837 -10.378 2.938 609 HG SER 85 HG SER 85 -2.698 -9.560 4.030 610 H ARG 86 H ARG 86 -4.019 -11.003 0.190 611 HA ARG 86 HA ARG 86 -5.158 -9.290 -1.859 612 HB2 ARG 86 HB2 ARG 86 -3.608 -11.075 -2.504 613 HB3 ARG 86 HB3 ARG 86 -4.686 -12.276 -1.808 614 HG2 ARG 86 HG2 ARG 86 -6.418 -11.589 -3.444 615 HG3 ARG 86 HG3 ARG 86 -5.225 -10.523 -4.190 616 HD2 ARG 86 HD2 ARG 86 -3.794 -12.433 -4.662 617 HD3 ARG 86 HD3 ARG 86 -4.945 -13.509 -3.874 618 HE ARG 86 HE ARG 86 -5.329 -12.129 -6.438 619 HH11 ARG 86 HH11 ARG 86 -6.408 -14.455 -4.060 620 HH12 ARG 86 HH12 ARG 86 -7.570 -15.188 -5.117 621 HH21 ARG 86 HH21 ARG 86 -6.864 -13.078 -7.830 622 HH22 ARG 86 HH22 ARG 86 -7.824 -14.410 -7.268 623 H LEU 87 H LEU 87 -7.132 -8.612 -1.074 624 HA LEU 87 HA LEU 87 -9.109 -10.725 -0.558 625 HB2 LEU 87 HB2 LEU 87 -8.930 -7.881 0.368 626 HB3 LEU 87 HB3 LEU 87 -10.483 -8.685 0.303 627 HG LEU 87 HG LEU 87 -9.692 -8.819 2.542 628 HD11 LEU 87 HD11 LEU 87 -9.595 -11.209 2.923 629 HD12 LEU 87 HD12 LEU 87 -9.221 -11.485 1.224 630 HD13 LEU 87 HD13 LEU 87 -10.790 -10.825 1.686 631 HD21 LEU 87 HD21 LEU 87 -7.556 -9.857 3.143 632 HD22 LEU 87 HD22 LEU 87 -7.339 -8.397 2.179 633 HD23 LEU 87 HD23 LEU 87 -7.147 -9.983 1.432 634 HA PRO 88 HA PRO 88 -10.518 -9.353 -4.646 635 HB2 PRO 88 HB2 PRO 88 -11.940 -11.599 -5.176 636 HB3 PRO 88 HB3 PRO 88 -10.191 -11.497 -5.408 637 HG2 PRO 88 HG2 PRO 88 -11.738 -12.698 -3.148 638 HG3 PRO 88 HG3 PRO 88 -10.291 -13.312 -3.967 639 HD2 PRO 88 HD2 PRO 88 -10.217 -12.035 -1.565 640 HD3 PRO 88 HD3 PRO 88 -8.880 -11.989 -2.730 641 H THR 89 H THR 89 -12.691 -9.034 -5.543 642 HA THR 89 HA THR 89 -14.568 -8.396 -3.383 643 HB THR 89 HB THR 89 -14.598 -7.381 -6.229 644 HG1 THR 89 HG1 THR 89 -13.821 -5.652 -4.223 645 HG21 THR 89 HG21 THR 89 -16.036 -5.630 -5.330 646 HG22 THR 89 HG22 THR 89 -15.919 -6.339 -3.719 647 HG23 THR 89 HG23 THR 89 -16.734 -7.219 -5.012 648 H ALA 90 H ALA 90 -15.686 -10.335 -3.137 649 HA ALA 90 HA ALA 90 -16.920 -11.612 -5.403 650 HB1 ALA 90 HB1 ALA 90 -17.982 -13.062 -3.753 651 HB2 ALA 90 HB2 ALA 90 -17.404 -12.019 -2.454 652 HB3 ALA 90 HB3 ALA 90 -16.253 -12.919 -3.440 653 H ASN 91 H ASN 91 -18.508 -10.558 -6.426 654 HA ASN 91 HA ASN 91 -20.284 -8.773 -4.998 655 HB2 ASN 91 HB2 ASN 91 -21.332 -8.412 -7.229 656 HB3 ASN 91 HB3 ASN 91 -19.601 -8.100 -7.222 657 HD21 ASN 91 HD21 ASN 91 -22.128 -10.242 -8.300 658 HD22 ASN 91 HD22 ASN 91 -21.178 -11.076 -9.479 659 H GLY 92 H GLY 92 -20.183 -12.047 -5.902 660 HA2 GLY 92 HA2 GLY 92 -23.059 -12.424 -5.575 661 HA3 GLY 92 HA3 GLY 92 -21.885 -13.664 -5.999 662 H ASP 93 H ASP 93 -21.499 -11.417 -3.346 663 HA ASP 93 HA ASP 93 -20.745 -13.388 -1.521 664 HB2 ASP 93 HB2 ASP 93 -20.859 -11.654 0.185 665 HB3 ASP 93 HB3 ASP 93 -20.131 -11.015 -1.282 666 H GLY 94 H GLY 94 -23.884 -11.879 -2.084 667 HA2 GLY 94 HA2 GLY 94 -25.968 -12.807 -1.774 668 HA3 GLY 94 HA3 GLY 94 -25.188 -14.256 -1.169 669 H GLY 95 H GLY 95 -24.137 -11.493 0.488 670 HA2 GLY 95 HA2 GLY 95 -25.712 -10.551 2.289 671 HA3 GLY 95 HA3 GLY 95 -25.908 -12.242 2.727 672 H ALA 96 H ALA 96 -23.044 -10.373 1.793 673 HA ALA 96 HA ALA 96 -21.949 -10.869 4.484 674 HB1 ALA 96 HB1 ALA 96 -20.884 -12.331 2.804 675 HB2 ALA 96 HB2 ALA 96 -19.749 -11.183 3.511 676 HB3 ALA 96 HB3 ALA 96 -20.397 -10.900 1.899 677 H LEU 97 H LEU 97 -22.230 -8.896 5.374 678 HA LEU 97 HA LEU 97 -22.138 -6.500 3.814 679 HB2 LEU 97 HB2 LEU 97 -22.310 -6.876 6.800 680 HB3 LEU 97 HB3 LEU 97 -22.567 -5.363 5.952 681 HG LEU 97 HG LEU 97 -24.275 -7.839 5.677 682 HD11 LEU 97 HD11 LEU 97 -24.807 -5.204 7.035 683 HD12 LEU 97 HD12 LEU 97 -24.571 -6.759 7.830 684 HD13 LEU 97 HD13 LEU 97 -25.984 -6.497 6.807 685 HD21 LEU 97 HD21 LEU 97 -24.574 -5.093 4.465 686 HD22 LEU 97 HD22 LEU 97 -25.774 -6.383 4.383 687 HD23 LEU 97 HD23 LEU 97 -24.207 -6.585 3.598 688 H ALA 98 H ALA 98 -19.896 -8.111 5.984 689 HA ALA 98 HA ALA 98 -18.084 -5.869 6.045 690 HB1 ALA 98 HB1 ALA 98 -18.222 -7.444 7.929 691 HB2 ALA 98 HB2 ALA 98 -16.591 -7.329 7.272 692 HB3 ALA 98 HB3 ALA 98 -17.599 -8.723 6.887 693 H LEU 99 H LEU 99 -18.630 -8.634 4.055 694 HA LEU 99 HA LEU 99 -16.086 -8.477 2.721 695 HB2 LEU 99 HB2 LEU 99 -17.297 -10.614 2.948 696 HB3 LEU 99 HB3 LEU 99 -18.596 -9.968 1.967 697 HG LEU 99 HG LEU 99 -17.031 -9.780 0.056 698 HD11 LEU 99 HD11 LEU 99 -14.874 -10.930 0.180 699 HD12 LEU 99 HD12 LEU 99 -15.119 -11.199 1.905 700 HD13 LEU 99 HD13 LEU 99 -14.949 -9.557 1.284 701 HD21 LEU 99 HD21 LEU 99 -16.885 -12.188 -0.391 702 HD22 LEU 99 HD22 LEU 99 -18.454 -11.731 0.272 703 HD23 LEU 99 HD23 LEU 99 -17.257 -12.517 1.302 704 H ASP 100 H ASP 100 -19.313 -7.265 2.324 705 HA ASP 100 HA ASP 100 -19.262 -6.382 -0.320 706 HB2 ASP 100 HB2 ASP 100 -21.316 -6.342 0.919 707 HB3 ASP 100 HB3 ASP 100 -20.635 -5.257 2.125 708 H SER 101 H SER 101 -17.763 -5.101 2.528 709 HA SER 101 HA SER 101 -17.272 -2.470 1.692 710 HB2 SER 101 HB2 SER 101 -15.464 -4.093 3.483 711 HB3 SER 101 HB3 SER 101 -15.760 -2.354 3.523 712 HG SER 101 HG SER 101 -18.094 -3.230 3.868 713 H LEU 102 H LEU 102 -16.017 -5.374 0.489 714 HA LEU 102 HA LEU 102 -13.409 -4.338 -0.205 715 HB2 LEU 102 HB2 LEU 102 -14.810 -6.948 -0.616 716 HB3 LEU 102 HB3 LEU 102 -13.387 -6.571 -1.566 717 HG LEU 102 HG LEU 102 -12.772 -7.934 0.333 718 HD11 LEU 102 HD11 LEU 102 -11.026 -6.569 1.280 719 HD12 LEU 102 HD12 LEU 102 -11.857 -5.098 0.777 720 HD13 LEU 102 HD13 LEU 102 -11.204 -6.201 -0.434 721 HD21 LEU 102 HD21 LEU 102 -13.918 -5.748 2.063 722 HD22 LEU 102 HD22 LEU 102 -13.048 -7.175 2.629 723 HD23 LEU 102 HD23 LEU 102 -14.610 -7.351 1.830 724 H THR 103 H THR 103 -16.381 -3.736 -1.457 725 HA THR 103 HA THR 103 -15.681 -3.909 -4.248 726 HB THR 103 HB THR 103 -18.053 -4.066 -3.464 727 HG1 THR 103 HG1 THR 103 -17.211 -2.180 -5.400 728 HG21 THR 103 HG21 THR 103 -17.743 -1.094 -3.023 729 HG22 THR 103 HG22 THR 103 -18.021 -2.303 -1.771 730 HG23 THR 103 HG23 THR 103 -19.264 -1.983 -2.981 731 H VAL 104 H VAL 104 -14.707 -1.953 -1.815 732 HA VAL 104 HA VAL 104 -14.573 0.590 -3.025 733 HB VAL 104 HB VAL 104 -14.155 0.164 -0.607 734 HG11 VAL 104 HG11 VAL 104 -11.519 -0.949 -1.549 735 HG12 VAL 104 HG12 VAL 104 -12.825 -1.857 -0.785 736 HG13 VAL 104 HG13 VAL 104 -11.958 -0.621 0.127 737 HG21 VAL 104 HG21 VAL 104 -12.268 1.741 -0.359 738 HG22 VAL 104 HG22 VAL 104 -13.467 2.277 -1.535 739 HG23 VAL 104 HG23 VAL 104 -11.945 1.580 -2.085 740 H LEU 105 H LEU 105 -12.945 1.561 -4.234 741 HA LEU 105 HA LEU 105 -11.206 1.784 -5.670 742 HB2 LEU 105 HB2 LEU 105 -10.318 -0.921 -4.680 743 HB3 LEU 105 HB3 LEU 105 -9.375 0.138 -5.710 744 HG LEU 105 HG LEU 105 -10.206 0.697 -2.864 745 HD11 LEU 105 HD11 LEU 105 -7.511 0.115 -4.078 746 HD12 LEU 105 HD12 LEU 105 -8.441 -0.964 -3.038 747 HD13 LEU 105 HD13 LEU 105 -7.812 0.553 -2.397 748 HD21 LEU 105 HD21 LEU 105 -10.184 2.747 -4.148 749 HD22 LEU 105 HD22 LEU 105 -8.593 2.351 -4.798 750 HD23 LEU 105 HD23 LEU 105 -8.783 2.691 -3.078 751 H GLY 106 H GLY 106 -12.733 -1.404 -5.695 752 HA2 GLY 106 HA2 GLY 106 -14.007 -1.469 -7.997 753 HA3 GLY 106 HA3 GLY 106 -12.355 -1.598 -8.586 754 H ALA 107 H ALA 107 -12.077 -3.642 -9.207 755 HA ALA 107 HA ALA 107 -13.218 -5.814 -7.644 756 HB1 ALA 107 HB1 ALA 107 -12.432 -7.258 -9.442 757 HB2 ALA 107 HB2 ALA 107 -11.599 -5.895 -10.188 758 HB3 ALA 107 HB3 ALA 107 -13.360 -5.903 -10.087 759 H GLY 108 H GLY 108 -12.151 -6.410 -5.899 760 HA2 GLY 108 HA2 GLY 108 -9.542 -5.788 -5.220 761 HA3 GLY 108 HA3 GLY 108 -10.473 -7.095 -4.509 762 H GLY 109 H GLY 109 -7.625 -6.510 -5.704 763 HA2 GLY 109 HA2 GLY 109 -7.307 -9.241 -6.712 764 HA3 GLY 109 HA3 GLY 109 -6.711 -7.906 -7.690 765 H ASN 110 H ASN 110 -4.584 -8.559 -7.549 766 HA ASN 110 HA ASN 110 -3.334 -8.076 -4.935 767 HB2 ASN 110 HB2 ASN 110 -3.358 -10.498 -5.406 768 HB3 ASN 110 HB3 ASN 110 -2.547 -10.206 -6.938 769 HD21 ASN 110 HD21 ASN 110 -0.871 -11.570 -6.299 770 HD22 ASN 110 HD22 ASN 110 0.335 -11.061 -5.168 771 H ASN 111 H ASN 111 -1.410 -6.935 -4.994 772 HA ASN 111 HA ASN 111 -0.863 -5.625 -7.554 773 HB2 ASN 111 HB2 ASN 111 -0.368 -4.838 -4.705 774 HB3 ASN 111 HB3 ASN 111 0.574 -4.107 -5.996 775 HD21 ASN 111 HD21 ASN 111 -1.234 -2.814 -4.223 776 HD22 ASN 111 HD22 ASN 111 -2.498 -2.139 -5.182 777 H ALA 112 H ALA 112 0.272 -8.161 -5.808 778 HA ALA 112 HA ALA 112 3.054 -7.748 -6.629 779 HB1 ALA 112 HB1 ALA 112 1.862 -9.901 -4.878 780 HB2 ALA 112 HB2 ALA 112 2.679 -8.448 -4.306 781 HB3 ALA 112 HB3 ALA 112 3.577 -9.664 -5.212 Start of MODEL 4 1 H1 SER 6 H1 SER 6 -13.437 16.589 11.752 2 H2 SER 6 H2 SER 6 -11.817 16.990 11.480 3 H3 SER 6 H3 SER 6 -12.210 15.562 12.296 4 HA SER 6 HA SER 6 -13.202 14.640 10.345 5 HB2 SER 6 HB2 SER 6 -14.067 16.687 9.351 6 HB3 SER 6 HB3 SER 6 -12.432 17.293 9.097 7 HG SER 6 HG SER 6 -13.695 15.088 7.831 8 H MET 7 H MET 7 -11.709 13.064 10.169 9 HA MET 7 HA MET 7 -8.912 13.652 9.943 10 HB2 MET 7 HB2 MET 7 -8.537 11.300 9.884 11 HB3 MET 7 HB3 MET 7 -9.836 11.571 11.033 12 HG2 MET 7 HG2 MET 7 -10.267 10.725 8.179 13 HG3 MET 7 HG3 MET 7 -10.143 9.607 9.533 14 HE1 MET 7 HE1 MET 7 -13.309 10.407 11.630 15 HE2 MET 7 HE2 MET 7 -11.665 10.997 11.872 16 HE3 MET 7 HE3 MET 7 -11.938 9.320 11.402 17 H ALA 8 H ALA 8 -11.533 13.321 7.783 18 HA ALA 8 HA ALA 8 -10.060 12.612 5.448 19 HB1 ALA 8 HB1 ALA 8 -12.741 13.978 5.675 20 HB2 ALA 8 HB2 ALA 8 -12.473 12.235 5.627 21 HB3 ALA 8 HB3 ALA 8 -12.075 13.226 4.225 22 H GLN 9 H GLN 9 -11.276 15.702 6.748 23 HA GLN 9 HA GLN 9 -10.063 17.222 4.635 24 HB2 GLN 9 HB2 GLN 9 -11.189 18.127 7.290 25 HB3 GLN 9 HB3 GLN 9 -10.716 19.193 5.976 26 HG2 GLN 9 HG2 GLN 9 -12.415 18.093 4.543 27 HG3 GLN 9 HG3 GLN 9 -12.939 17.165 5.947 28 HE21 GLN 9 HE21 GLN 9 -14.996 18.046 5.944 29 HE22 GLN 9 HE22 GLN 9 -15.306 19.687 6.402 30 H ALA 10 H ALA 10 -8.902 15.771 7.435 31 HA ALA 10 HA ALA 10 -6.608 17.594 7.613 32 HB1 ALA 10 HB1 ALA 10 -7.462 15.401 9.504 33 HB2 ALA 10 HB2 ALA 10 -7.758 17.126 9.723 34 HB3 ALA 10 HB3 ALA 10 -6.106 16.506 9.741 35 H ALA 11 H ALA 11 -7.347 15.230 5.707 36 HA ALA 11 HA ALA 11 -5.106 13.449 6.096 37 HB1 ALA 11 HB1 ALA 11 -5.905 12.331 4.079 38 HB2 ALA 11 HB2 ALA 11 -7.073 13.625 3.814 39 HB3 ALA 11 HB3 ALA 11 -7.222 12.578 5.226 40 H GLN 12 H GLN 12 -3.353 14.852 5.954 41 HA GLN 12 HA GLN 12 -2.947 16.589 3.734 42 HB2 GLN 12 HB2 GLN 12 -0.706 16.916 4.656 43 HB3 GLN 12 HB3 GLN 12 -1.927 17.040 5.912 44 HG2 GLN 12 HG2 GLN 12 -1.412 14.779 6.652 45 HG3 GLN 12 HG3 GLN 12 -0.210 14.625 5.373 46 HE21 GLN 12 HE21 GLN 12 0.649 17.428 5.727 47 HE22 GLN 12 HE22 GLN 12 1.611 17.436 7.166 48 H GLN 13 H GLN 13 -1.300 16.402 2.128 49 HA GLN 13 HA GLN 13 -0.626 13.611 1.482 50 HB2 GLN 13 HB2 GLN 13 -1.361 15.831 -0.435 51 HB3 GLN 13 HB3 GLN 13 -0.858 14.211 -0.898 52 HG2 GLN 13 HG2 GLN 13 -2.821 13.309 0.319 53 HG3 GLN 13 HG3 GLN 13 -3.346 14.965 0.617 54 HE21 GLN 13 HE21 GLN 13 -4.073 16.212 -1.104 55 HE22 GLN 13 HE22 GLN 13 -4.559 15.507 -2.603 56 H LYS 14 H LYS 14 1.417 13.189 0.783 57 HA LYS 14 HA LYS 14 3.309 15.446 0.941 58 HB2 LYS 14 HB2 LYS 14 3.858 12.503 1.389 59 HB3 LYS 14 HB3 LYS 14 4.998 13.820 1.610 60 HG2 LYS 14 HG2 LYS 14 2.501 13.351 3.225 61 HG3 LYS 14 HG3 LYS 14 4.157 13.022 3.742 62 HD2 LYS 14 HD2 LYS 14 4.685 15.407 3.539 63 HD3 LYS 14 HD3 LYS 14 3.025 15.730 3.034 64 HE2 LYS 14 HE2 LYS 14 3.230 16.261 5.362 65 HE3 LYS 14 HE3 LYS 14 2.245 14.809 5.203 66 HZ1 LYS 14 HZ1 LYS 14 3.869 14.630 6.995 67 HZ2 LYS 14 HZ2 LYS 14 5.133 14.849 5.893 68 HZ3 LYS 14 HZ3 LYS 14 4.155 13.473 5.794 69 H ASN 15 H ASN 15 5.051 15.499 -0.561 70 HA ASN 15 HA ASN 15 4.308 14.474 -3.164 71 HB2 ASN 15 HB2 ASN 15 5.164 16.789 -2.894 72 HB3 ASN 15 HB3 ASN 15 6.709 16.134 -2.362 73 HD21 ASN 15 HD21 ASN 15 8.070 15.155 -3.854 74 HD22 ASN 15 HD22 ASN 15 7.850 15.341 -5.560 75 H PHE 16 H PHE 16 4.701 12.348 -3.387 76 HA PHE 16 HA PHE 16 7.262 11.287 -2.438 77 HB2 PHE 16 HB2 PHE 16 4.710 9.915 -3.287 78 HB3 PHE 16 HB3 PHE 16 6.194 9.053 -2.901 79 HD1 PHE 16 HD1 PHE 16 7.135 9.266 -0.584 80 HD2 PHE 16 HD2 PHE 16 3.227 10.585 -1.611 81 HE1 PHE 16 HE1 PHE 16 6.501 9.224 1.795 82 HE2 PHE 16 HE2 PHE 16 2.584 10.546 0.762 83 HZ PHE 16 HZ PHE 16 4.223 9.865 2.470 84 H ASN 17 H ASN 17 8.831 10.767 -3.788 85 HA ASN 17 HA ASN 17 8.191 10.229 -6.608 86 HB2 ASN 17 HB2 ASN 17 9.112 12.467 -6.563 87 HB3 ASN 17 HB3 ASN 17 10.450 11.945 -5.548 88 HD21 ASN 17 HD21 ASN 17 9.091 11.901 -8.756 89 HD22 ASN 17 HD22 ASN 17 10.529 11.378 -9.565 90 H ILE 18 H ILE 18 8.418 8.052 -6.495 91 HA ILE 18 HA ILE 18 10.997 7.020 -5.502 92 HB ILE 18 HB ILE 18 8.384 5.513 -5.363 93 HG12 ILE 18 HG12 ILE 18 9.775 7.152 -3.236 94 HG13 ILE 18 HG13 ILE 18 8.167 7.415 -3.901 95 HG21 ILE 18 HG21 ILE 18 9.599 4.018 -3.863 96 HG22 ILE 18 HG22 ILE 18 11.050 5.009 -4.040 97 HG23 ILE 18 HG23 ILE 18 10.406 4.133 -5.429 98 HD11 ILE 18 HD11 ILE 18 8.054 6.443 -1.690 99 HD12 ILE 18 HD12 ILE 18 9.021 5.069 -2.230 100 HD13 ILE 18 HD13 ILE 18 7.410 5.333 -2.901 101 H ALA 19 H ALA 19 12.147 6.202 -7.111 102 HA ALA 19 HA ALA 19 11.074 5.378 -9.613 103 HB1 ALA 19 HB1 ALA 19 13.748 4.730 -8.360 104 HB2 ALA 19 HB2 ALA 19 13.400 6.136 -9.363 105 HB3 ALA 19 HB3 ALA 19 13.323 4.518 -10.057 106 H ALA 20 H ALA 20 10.861 3.213 -10.407 107 HA ALA 20 HA ALA 20 9.620 1.494 -8.549 108 HB1 ALA 20 HB1 ALA 20 10.607 0.857 -11.328 109 HB2 ALA 20 HB2 ALA 20 9.036 1.554 -10.932 110 HB3 ALA 20 HB3 ALA 20 9.436 -0.078 -10.398 111 H GLN 21 H GLN 21 10.788 0.686 -6.955 112 HA GLN 21 HA GLN 21 13.323 -0.677 -7.525 113 HB2 GLN 21 HB2 GLN 21 12.087 0.206 -4.903 114 HB3 GLN 21 HB3 GLN 21 13.643 -0.592 -5.061 115 HG2 GLN 21 HG2 GLN 21 14.507 1.291 -6.321 116 HG3 GLN 21 HG3 GLN 21 12.934 2.083 -6.242 117 HE21 GLN 21 HE21 GLN 21 13.755 3.871 -5.195 118 HE22 GLN 21 HE22 GLN 21 14.259 3.836 -3.542 119 HA PRO 22 HA PRO 22 11.575 -4.736 -6.336 120 HB2 PRO 22 HB2 PRO 22 13.467 -4.720 -4.037 121 HB3 PRO 22 HB3 PRO 22 13.195 -5.966 -5.257 122 HG2 PRO 22 HG2 PRO 22 15.379 -4.436 -5.323 123 HG3 PRO 22 HG3 PRO 22 14.557 -4.929 -6.815 124 HD2 PRO 22 HD2 PRO 22 14.538 -2.297 -5.417 125 HD3 PRO 22 HD3 PRO 22 14.495 -2.651 -7.155 126 H LEU 23 H LEU 23 9.936 -5.335 -4.898 127 HA LEU 23 HA LEU 23 8.537 -3.231 -3.802 128 HB2 LEU 23 HB2 LEU 23 8.016 -5.859 -4.289 129 HB3 LEU 23 HB3 LEU 23 7.969 -5.817 -2.540 130 HG LEU 23 HG LEU 23 6.298 -4.153 -4.410 131 HD11 LEU 23 HD11 LEU 23 4.430 -5.427 -3.442 132 HD12 LEU 23 HD12 LEU 23 5.587 -6.406 -2.540 133 HD13 LEU 23 HD13 LEU 23 5.573 -6.457 -4.303 134 HD21 LEU 23 HD21 LEU 23 5.159 -3.339 -2.400 135 HD22 LEU 23 HD22 LEU 23 6.860 -2.864 -2.423 136 HD23 LEU 23 HD23 LEU 23 6.328 -4.199 -1.396 137 H GLN 24 H GLN 24 10.441 -5.644 -1.980 138 HA GLN 24 HA GLN 24 9.859 -4.571 0.553 139 HB2 GLN 24 HB2 GLN 24 11.916 -6.444 -0.515 140 HB3 GLN 24 HB3 GLN 24 12.147 -5.783 1.097 141 HG2 GLN 24 HG2 GLN 24 11.023 -7.977 1.089 142 HG3 GLN 24 HG3 GLN 24 10.070 -6.705 1.843 143 HE21 GLN 24 HE21 GLN 24 10.350 -8.859 -0.868 144 HE22 GLN 24 HE22 GLN 24 8.740 -8.622 -1.463 145 H SER 25 H SER 25 12.291 -3.748 -1.812 146 HA SER 25 HA SER 25 13.755 -2.010 -0.050 147 HB2 SER 25 HB2 SER 25 14.882 -3.082 -1.948 148 HB3 SER 25 HB3 SER 25 13.805 -2.255 -3.071 149 HG SER 25 HG SER 25 14.675 -0.258 -2.252 150 H ALA 26 H ALA 26 11.183 -1.710 -2.415 151 HA ALA 26 HA ALA 26 11.136 1.059 -2.776 152 HB1 ALA 26 HB1 ALA 26 9.819 -0.577 -4.093 153 HB2 ALA 26 HB2 ALA 26 8.842 0.762 -3.492 154 HB3 ALA 26 HB3 ALA 26 8.763 -0.818 -2.695 155 H MET 27 H MET 27 9.305 -0.942 -0.513 156 HA MET 27 HA MET 27 8.110 1.321 0.747 157 HB2 MET 27 HB2 MET 27 8.203 -1.530 1.709 158 HB3 MET 27 HB3 MET 27 7.097 -0.274 2.253 159 HG2 MET 27 HG2 MET 27 7.218 -1.551 -0.462 160 HG3 MET 27 HG3 MET 27 5.932 -1.686 0.736 161 HE1 MET 27 HE1 MET 27 4.404 0.324 -2.287 162 HE2 MET 27 HE2 MET 27 4.177 -1.064 -1.227 163 HE3 MET 27 HE3 MET 27 5.567 -1.003 -2.309 164 H LEU 28 H LEU 28 11.034 -0.435 1.209 165 HA LEU 28 HA LEU 28 11.568 0.347 3.865 166 HB2 LEU 28 HB2 LEU 28 12.928 -1.323 2.751 167 HB3 LEU 28 HB3 LEU 28 13.438 -0.158 1.545 168 HG LEU 28 HG LEU 28 14.612 1.113 3.338 169 HD11 LEU 28 HD11 LEU 28 15.005 0.027 5.487 170 HD12 LEU 28 HD12 LEU 28 13.914 -1.281 5.031 171 HD13 LEU 28 HD13 LEU 28 13.290 0.356 5.240 172 HD21 LEU 28 HD21 LEU 28 16.463 -0.482 3.573 173 HD22 LEU 28 HD22 LEU 28 15.830 -0.440 1.928 174 HD23 LEU 28 HD23 LEU 28 15.408 -1.775 3.002 175 H ARG 29 H ARG 29 11.753 1.960 0.785 176 HA ARG 29 HA ARG 29 13.065 4.297 1.910 177 HB2 ARG 29 HB2 ARG 29 12.105 3.682 -0.890 178 HB3 ARG 29 HB3 ARG 29 12.964 5.147 -0.428 179 HG2 ARG 29 HG2 ARG 29 14.049 2.353 -0.142 180 HG3 ARG 29 HG3 ARG 29 14.424 3.457 -1.467 181 HD2 ARG 29 HD2 ARG 29 15.563 4.943 -0.047 182 HD3 ARG 29 HD3 ARG 29 14.867 4.226 1.401 183 HE ARG 29 HE ARG 29 16.805 2.778 -0.281 184 HH11 ARG 29 HH11 ARG 29 15.687 3.937 2.838 185 HH12 ARG 29 HH12 ARG 29 16.921 3.096 3.731 186 HH21 ARG 29 HH21 ARG 29 18.445 1.691 0.905 187 HH22 ARG 29 HH22 ARG 29 18.496 1.844 2.633 188 H PHE 30 H PHE 30 9.916 3.370 0.618 189 HA PHE 30 HA PHE 30 8.753 5.958 0.882 190 HB2 PHE 30 HB2 PHE 30 7.648 4.509 -0.613 191 HB3 PHE 30 HB3 PHE 30 7.627 3.188 0.545 192 HD1 PHE 30 HD2 PHE 30 6.384 6.718 0.415 193 HD2 PHE 30 HD1 PHE 30 5.565 2.654 1.371 194 HE1 PHE 30 HE2 PHE 30 4.103 7.339 1.083 195 HE2 PHE 30 HE1 PHE 30 3.283 3.273 2.050 196 HZ PHE 30 HZ PHE 30 2.551 5.617 1.903 197 H ALA 31 H ALA 31 8.513 3.007 2.841 198 HA ALA 31 HA ALA 31 6.750 4.297 4.680 199 HB1 ALA 31 HB1 ALA 31 6.481 1.944 4.111 200 HB2 ALA 31 HB2 ALA 31 6.702 2.175 5.846 201 HB3 ALA 31 HB3 ALA 31 8.038 1.585 4.858 202 H GLU 32 H GLU 32 10.210 3.967 4.503 203 HA GLU 32 HA GLU 32 10.738 4.247 7.263 204 HB2 GLU 32 HB2 GLU 32 12.943 4.961 6.685 205 HB3 GLU 32 HB3 GLU 32 12.476 3.718 5.536 206 HG2 GLU 32 HG2 GLU 32 12.052 5.372 3.844 207 HG3 GLU 32 HG3 GLU 32 12.351 6.675 4.995 208 H GLN 33 H GLN 33 9.766 6.505 4.801 209 HA GLN 33 HA GLN 33 10.162 8.852 6.401 210 HB2 GLN 33 HB2 GLN 33 8.506 8.384 3.913 211 HB3 GLN 33 HB3 GLN 33 8.780 9.958 4.647 212 HG2 GLN 33 HG2 GLN 33 11.138 9.812 4.195 213 HG3 GLN 33 HG3 GLN 33 10.955 8.168 3.593 214 HE21 GLN 33 HE21 GLN 33 8.610 10.647 2.901 215 HE22 GLN 33 HE22 GLN 33 8.994 10.814 1.223 216 H ALA 34 H ALA 34 7.648 6.519 5.901 217 HA ALA 34 HA ALA 34 5.615 8.151 7.176 218 HB1 ALA 34 HB1 ALA 34 5.406 5.311 6.185 219 HB2 ALA 34 HB2 ALA 34 5.104 6.740 5.195 220 HB3 ALA 34 HB3 ALA 34 4.078 6.398 6.591 221 H GLY 35 H GLY 35 7.897 5.749 8.061 222 HA2 GLY 35 HA2 GLY 35 8.479 5.323 10.317 223 HA3 GLY 35 HA3 GLY 35 6.858 5.793 10.801 224 H MET 36 H MET 36 7.566 3.527 8.202 225 HA MET 36 HA MET 36 6.759 1.267 9.865 226 HB2 MET 36 HB2 MET 36 5.242 2.171 7.413 227 HB3 MET 36 HB3 MET 36 5.071 0.573 8.123 228 HG2 MET 36 HG2 MET 36 4.246 1.552 10.183 229 HG3 MET 36 HG3 MET 36 4.479 3.169 9.526 230 HE1 MET 36 HE1 MET 36 1.789 3.359 6.723 231 HE2 MET 36 HE2 MET 36 3.478 2.897 6.526 232 HE3 MET 36 HE3 MET 36 3.046 4.219 7.611 233 H GLN 37 H GLN 37 6.736 -0.790 8.448 234 HA GLN 37 HA GLN 37 8.410 -0.714 6.080 235 HB2 GLN 37 HB2 GLN 37 9.241 -2.005 8.650 236 HB3 GLN 37 HB3 GLN 37 9.668 -2.779 7.132 237 HG2 GLN 37 HG2 GLN 37 10.825 -0.751 6.418 238 HG3 GLN 37 HG3 GLN 37 10.392 0.027 7.941 239 HE21 GLN 37 HE21 GLN 37 12.359 -2.387 6.410 240 HE22 GLN 37 HE22 GLN 37 13.456 -2.617 7.728 241 H VAL 38 H VAL 38 8.419 -2.884 5.000 242 HA VAL 38 HA VAL 38 5.722 -3.871 5.003 243 HB VAL 38 HB VAL 38 6.621 -5.449 3.219 244 HG11 VAL 38 HG11 VAL 38 6.811 -2.473 2.859 245 HG12 VAL 38 HG12 VAL 38 5.398 -3.493 2.598 246 HG13 VAL 38 HG13 VAL 38 6.797 -3.631 1.529 247 HG21 VAL 38 HG21 VAL 38 8.978 -5.366 3.900 248 HG22 VAL 38 HG22 VAL 38 9.038 -3.665 3.440 249 HG23 VAL 38 HG23 VAL 38 8.759 -4.899 2.214 250 H PHE 39 H PHE 39 4.947 -5.748 5.745 251 HA PHE 39 HA PHE 39 6.844 -7.576 7.066 252 HB2 PHE 39 HB2 PHE 39 5.352 -6.432 8.651 253 HB3 PHE 39 HB3 PHE 39 3.955 -7.003 7.749 254 HD1 PHE 39 HD1 PHE 39 6.847 -8.136 9.764 255 HD2 PHE 39 HD2 PHE 39 3.007 -9.100 8.205 256 HE1 PHE 39 HE1 PHE 39 6.795 -10.162 11.154 257 HE2 PHE 39 HE2 PHE 39 2.950 -11.129 9.594 258 HZ PHE 39 HZ PHE 39 4.845 -11.662 11.072 259 H PHE 40 H PHE 40 7.169 -9.053 5.489 260 HA PHE 40 HA PHE 40 4.890 -10.694 4.718 261 HB2 PHE 40 HB2 PHE 40 6.798 -9.494 2.697 262 HB3 PHE 40 HB3 PHE 40 5.581 -10.713 2.346 263 HD1 PHE 40 HD2 PHE 40 3.147 -10.105 2.657 264 HD2 PHE 40 HD1 PHE 40 6.272 -7.227 2.696 265 HE1 PHE 40 HE2 PHE 40 1.509 -8.329 2.216 266 HE2 PHE 40 HE1 PHE 40 4.639 -5.440 2.254 267 HZ PHE 40 HZ PHE 40 2.253 -5.991 2.015 268 H ASP 41 H ASP 41 5.386 -12.801 4.633 269 HA ASP 41 HA ASP 41 8.227 -13.543 4.589 270 HB2 ASP 41 HB2 ASP 41 6.043 -14.606 6.364 271 HB3 ASP 41 HB3 ASP 41 7.511 -15.525 6.049 272 H GLU 42 H GLU 42 5.113 -15.239 4.506 273 HA GLU 42 HA GLU 42 6.108 -16.772 2.215 274 HB2 GLU 42 HB2 GLU 42 3.611 -17.252 3.852 275 HB3 GLU 42 HB3 GLU 42 4.340 -18.353 2.690 276 HG2 GLU 42 HG2 GLU 42 6.323 -18.526 4.137 277 HG3 GLU 42 HG3 GLU 42 5.529 -17.482 5.315 278 H VAL 43 H VAL 43 5.853 -15.226 0.631 279 HA VAL 43 HA VAL 43 3.127 -14.806 -0.320 280 HB VAL 43 HB VAL 43 3.587 -12.385 -0.765 281 HG11 VAL 43 HG11 VAL 43 3.669 -13.128 2.150 282 HG12 VAL 43 HG12 VAL 43 2.222 -13.079 1.145 283 HG13 VAL 43 HG13 VAL 43 3.117 -11.598 1.472 284 HG21 VAL 43 HG21 VAL 43 6.035 -12.492 -0.642 285 HG22 VAL 43 HG22 VAL 43 5.926 -12.788 1.094 286 HG23 VAL 43 HG23 VAL 43 5.373 -11.252 0.423 287 H LYS 44 H LYS 44 3.755 -13.044 -2.409 288 HA LYS 44 HA LYS 44 4.875 -14.627 -4.381 289 HB2 LYS 44 HB2 LYS 44 3.505 -12.681 -4.885 290 HB3 LYS 44 HB3 LYS 44 4.728 -11.613 -4.219 291 HG2 LYS 44 HG2 LYS 44 6.233 -12.092 -5.996 292 HG3 LYS 44 HG3 LYS 44 5.211 -13.405 -6.582 293 HD2 LYS 44 HD2 LYS 44 4.413 -10.494 -6.518 294 HD3 LYS 44 HD3 LYS 44 5.024 -11.342 -7.941 295 HE2 LYS 44 HE2 LYS 44 3.123 -12.953 -7.684 296 HE3 LYS 44 HE3 LYS 44 2.483 -11.904 -6.423 297 HZ1 LYS 44 HZ1 LYS 44 3.014 -11.011 -9.199 298 HZ2 LYS 44 HZ2 LYS 44 2.204 -10.147 -7.989 299 HZ3 LYS 44 HZ3 LYS 44 1.508 -11.543 -8.653 300 H LEU 45 H LEU 45 6.837 -14.945 -5.193 301 HA LEU 45 HA LEU 45 9.078 -14.815 -3.562 302 HB2 LEU 45 HB2 LEU 45 8.850 -16.386 -5.403 303 HB3 LEU 45 HB3 LEU 45 8.875 -15.073 -6.561 304 HG LEU 45 HG LEU 45 11.209 -14.580 -5.939 305 HD11 LEU 45 HD11 LEU 45 12.456 -16.175 -4.566 306 HD12 LEU 45 HD12 LEU 45 10.958 -17.034 -4.208 307 HD13 LEU 45 HD13 LEU 45 11.180 -15.378 -3.645 308 HD21 LEU 45 HD21 LEU 45 10.727 -17.453 -6.711 309 HD22 LEU 45 HD22 LEU 45 12.199 -16.527 -7.003 310 HD23 LEU 45 HD23 LEU 45 10.699 -16.073 -7.808 311 H ASP 46 H ASP 46 10.668 -13.393 -3.258 312 HA ASP 46 HA ASP 46 10.439 -10.701 -3.892 313 HB2 ASP 46 HB2 ASP 46 12.698 -12.401 -2.932 314 HB3 ASP 46 HB3 ASP 46 13.038 -10.753 -3.452 315 H GLY 47 H GLY 47 11.684 -9.360 -5.270 316 HA2 GLY 47 HA2 GLY 47 13.003 -9.251 -7.362 317 HA3 GLY 47 HA3 GLY 47 12.132 -10.701 -7.864 318 H MET 48 H MET 48 9.735 -9.605 -6.460 319 HA MET 48 HA MET 48 8.367 -8.445 -8.586 320 HB2 MET 48 HB2 MET 48 7.239 -9.528 -6.700 321 HB3 MET 48 HB3 MET 48 7.800 -8.262 -5.619 322 HG2 MET 48 HG2 MET 48 5.477 -7.928 -6.204 323 HG3 MET 48 HG3 MET 48 6.474 -6.622 -6.839 324 HE1 MET 48 HE1 MET 48 3.509 -7.083 -7.837 325 HE2 MET 48 HE2 MET 48 3.728 -6.872 -9.574 326 HE3 MET 48 HE3 MET 48 4.583 -5.824 -8.443 327 H GLN 49 H GLN 49 8.302 -6.457 -9.376 328 HA GLN 49 HA GLN 49 9.825 -4.369 -8.030 329 HB2 GLN 49 HB2 GLN 49 8.632 -4.509 -10.802 330 HB3 GLN 49 HB3 GLN 49 9.543 -3.140 -10.178 331 HG2 GLN 49 HG2 GLN 49 10.564 -5.935 -10.592 332 HG3 GLN 49 HG3 GLN 49 10.950 -4.517 -11.567 333 HE21 GLN 49 HE21 GLN 49 11.503 -6.198 -8.597 334 HE22 GLN 49 HE22 GLN 49 12.848 -5.245 -8.070 335 H ALA 50 H ALA 50 9.014 -2.380 -7.534 336 HA ALA 50 HA ALA 50 6.165 -2.222 -7.052 337 HB1 ALA 50 HB1 ALA 50 6.701 -0.093 -5.962 338 HB2 ALA 50 HB2 ALA 50 8.367 -0.224 -6.526 339 HB3 ALA 50 HB3 ALA 50 7.734 -1.394 -5.369 340 H ALA 51 H ALA 51 5.048 -0.143 -7.677 341 HA ALA 51 HA ALA 51 5.365 0.202 -10.532 342 HB1 ALA 51 HB1 ALA 51 3.361 1.382 -8.613 343 HB2 ALA 51 HB2 ALA 51 3.140 -0.082 -9.571 344 HB3 ALA 51 HB3 ALA 51 3.288 1.483 -10.371 345 H ALA 52 H ALA 52 5.483 2.298 -11.533 346 HA ALA 52 HA ALA 52 7.475 3.981 -10.435 347 HB1 ALA 52 HB1 ALA 52 7.140 3.733 -12.849 348 HB2 ALA 52 HB2 ALA 52 7.031 5.424 -12.362 349 HB3 ALA 52 HB3 ALA 52 5.563 4.513 -12.713 350 H LEU 53 H LEU 53 7.162 5.266 -8.736 351 HA LEU 53 HA LEU 53 4.466 6.354 -8.291 352 HB2 LEU 53 HB2 LEU 53 5.486 4.736 -6.628 353 HB3 LEU 53 HB3 LEU 53 6.666 5.972 -6.261 354 HG LEU 53 HG LEU 53 4.808 5.785 -4.606 355 HD11 LEU 53 HD11 LEU 53 4.989 8.429 -6.020 356 HD12 LEU 53 HD12 LEU 53 6.099 7.832 -4.785 357 HD13 LEU 53 HD13 LEU 53 4.415 8.161 -4.374 358 HD21 LEU 53 HD21 LEU 53 2.625 6.678 -5.157 359 HD22 LEU 53 HD22 LEU 53 2.999 5.278 -6.164 360 HD23 LEU 53 HD23 LEU 53 3.121 6.907 -6.832 361 H ASN 54 H ASN 54 4.289 8.425 -8.828 362 HA ASN 54 HA ASN 54 6.096 10.320 -7.601 363 HB2 ASN 54 HB2 ASN 54 7.192 10.037 -9.756 364 HB3 ASN 54 HB3 ASN 54 5.668 10.300 -10.598 365 HD21 ASN 54 HD21 ASN 54 4.929 12.363 -10.903 366 HD22 ASN 54 HD22 ASN 54 5.847 13.771 -10.493 367 H GLY 55 H GLY 55 4.576 11.288 -6.406 368 HA2 GLY 55 HA2 GLY 55 2.842 13.151 -7.570 369 HA3 GLY 55 HA3 GLY 55 1.904 11.714 -7.191 370 H SER 56 H SER 56 1.553 14.297 -6.047 371 HA SER 56 HA SER 56 2.457 13.986 -3.297 372 HB2 SER 56 HB2 SER 56 2.438 16.242 -4.362 373 HB3 SER 56 HB3 SER 56 0.687 16.122 -4.522 374 HG SER 56 HG SER 56 0.488 16.660 -2.511 375 H MET 57 H MET 57 1.367 12.584 -2.087 376 HA MET 57 HA MET 57 -1.519 12.629 -2.003 377 HB2 MET 57 HB2 MET 57 -1.796 10.273 -2.640 378 HB3 MET 57 HB3 MET 57 -1.158 11.234 -3.963 379 HG2 MET 57 HG2 MET 57 1.134 10.415 -3.287 380 HG3 MET 57 HG3 MET 57 0.309 9.271 -2.229 381 HE1 MET 57 HE1 MET 57 -0.768 10.547 -5.835 382 HE2 MET 57 HE2 MET 57 0.013 9.319 -6.830 383 HE3 MET 57 HE3 MET 57 0.990 10.426 -5.865 384 H SER 58 H SER 58 -2.329 10.910 -0.451 385 HA SER 58 HA SER 58 -0.586 10.841 1.869 386 HB2 SER 58 HB2 SER 58 -3.383 9.720 1.663 387 HB3 SER 58 HB3 SER 58 -2.528 10.243 3.112 388 HG SER 58 HG SER 58 -2.707 12.367 2.438 389 H VAL 59 H VAL 59 -0.883 8.616 3.200 390 HA VAL 59 HA VAL 59 0.531 6.657 1.761 391 HB VAL 59 HB VAL 59 -1.091 6.217 4.277 392 HG11 VAL 59 HG11 VAL 59 1.257 4.692 3.151 393 HG12 VAL 59 HG12 VAL 59 -0.418 4.144 3.168 394 HG13 VAL 59 HG13 VAL 59 0.452 4.368 4.685 395 HG21 VAL 59 HG21 VAL 59 1.003 6.644 5.482 396 HG22 VAL 59 HG22 VAL 59 0.473 8.059 4.573 397 HG23 VAL 59 HG23 VAL 59 1.790 7.058 3.960 398 H GLU 60 H GLU 60 -2.897 6.974 2.546 399 HA GLU 60 HA GLU 60 -3.962 4.620 1.669 400 HB2 GLU 60 HB2 GLU 60 -4.975 7.435 1.364 401 HB3 GLU 60 HB3 GLU 60 -5.928 6.046 0.868 402 HG2 GLU 60 HG2 GLU 60 -4.889 6.525 3.649 403 HG3 GLU 60 HG3 GLU 60 -6.527 6.875 3.095 404 H GLN 61 H GLN 61 -3.570 7.481 -0.405 405 HA GLN 61 HA GLN 61 -4.215 6.052 -2.783 406 HB2 GLN 61 HB2 GLN 61 -2.885 8.747 -2.479 407 HB3 GLN 61 HB3 GLN 61 -3.646 8.129 -3.936 408 HG2 GLN 61 HG2 GLN 61 -5.806 8.171 -2.877 409 HG3 GLN 61 HG3 GLN 61 -5.080 8.653 -1.344 410 HE21 GLN 61 HE21 GLN 61 -6.269 10.541 -1.225 411 HE22 GLN 61 HE22 GLN 61 -5.960 11.902 -2.250 412 H GLY 62 H GLY 62 -1.241 6.991 -1.181 413 HA2 GLY 62 HA2 GLY 62 0.499 6.591 -3.374 414 HA3 GLY 62 HA3 GLY 62 0.968 6.657 -1.683 415 H LEU 63 H LEU 63 -0.181 4.530 -0.562 416 HA LEU 63 HA LEU 63 1.610 2.479 -1.223 417 HB2 LEU 63 HB2 LEU 63 0.320 3.008 0.956 418 HB3 LEU 63 HB3 LEU 63 -0.971 2.065 0.248 419 HG LEU 63 HG LEU 63 0.549 0.923 1.909 420 HD11 LEU 63 HD11 LEU 63 0.154 -0.329 -0.793 421 HD12 LEU 63 HD12 LEU 63 -1.048 -0.244 0.496 422 HD13 LEU 63 HD13 LEU 63 0.424 -1.187 0.724 423 HD21 LEU 63 HD21 LEU 63 2.613 -0.015 1.070 424 HD22 LEU 63 HD22 LEU 63 2.674 1.745 0.972 425 HD23 LEU 63 HD23 LEU 63 2.378 0.791 -0.481 426 H ARG 64 H ARG 64 -1.845 2.830 -1.905 427 HA ARG 64 HA ARG 64 -2.275 0.387 -3.176 428 HB2 ARG 64 HB2 ARG 64 -3.584 3.080 -3.570 429 HB3 ARG 64 HB3 ARG 64 -4.159 1.606 -4.337 430 HG2 ARG 64 HG2 ARG 64 -4.644 0.615 -2.207 431 HG3 ARG 64 HG3 ARG 64 -3.897 1.971 -1.361 432 HD2 ARG 64 HD2 ARG 64 -6.365 2.084 -1.371 433 HD3 ARG 64 HD3 ARG 64 -5.613 3.468 -2.162 434 HE ARG 64 HE ARG 64 -6.091 1.746 -4.202 435 HH11 ARG 64 HH11 ARG 64 -8.104 3.116 -1.691 436 HH12 ARG 64 HH12 ARG 64 -9.538 3.117 -2.665 437 HH21 ARG 64 HH21 ARG 64 -7.953 1.748 -5.487 438 HH22 ARG 64 HH22 ARG 64 -9.452 2.336 -4.836 439 H ARG 65 H ARG 65 -1.296 3.512 -4.527 440 HA ARG 65 HA ARG 65 -1.161 2.572 -7.219 441 HB2 ARG 65 HB2 ARG 65 -1.595 4.905 -6.739 442 HB3 ARG 65 HB3 ARG 65 -0.065 5.051 -5.892 443 HG2 ARG 65 HG2 ARG 65 1.133 4.678 -7.990 444 HG3 ARG 65 HG3 ARG 65 -0.409 4.527 -8.838 445 HD2 ARG 65 HD2 ARG 65 -0.986 6.802 -8.277 446 HD3 ARG 65 HD3 ARG 65 0.468 6.964 -7.295 447 HE ARG 65 HE ARG 65 1.372 6.304 -9.797 448 HH11 ARG 65 HH11 ARG 65 -0.674 8.824 -8.496 449 HH12 ARG 65 HH12 ARG 65 -0.159 10.019 -9.642 450 HH21 ARG 65 HH21 ARG 65 2.070 7.886 -11.308 451 HH22 ARG 65 HH22 ARG 65 1.392 9.481 -11.246 452 H LEU 66 H LEU 66 1.067 2.791 -4.571 453 HA LEU 66 HA LEU 66 3.473 2.684 -6.067 454 HB2 LEU 66 HB2 LEU 66 2.866 3.322 -3.538 455 HB3 LEU 66 HB3 LEU 66 3.390 1.674 -3.274 456 HG LEU 66 HG LEU 66 5.058 3.863 -4.531 457 HD11 LEU 66 HD11 LEU 66 5.128 2.616 -1.794 458 HD12 LEU 66 HD12 LEU 66 4.704 4.282 -2.191 459 HD13 LEU 66 HD13 LEU 66 6.352 3.705 -2.441 460 HD21 LEU 66 HD21 LEU 66 5.654 1.651 -5.381 461 HD22 LEU 66 HD22 LEU 66 5.814 1.055 -3.729 462 HD23 LEU 66 HD23 LEU 66 6.914 2.295 -4.329 463 H ILE 67 H ILE 67 1.561 0.169 -4.381 464 HA ILE 67 HA ILE 67 3.504 -1.860 -4.956 465 HB ILE 67 HB ILE 67 0.614 -2.218 -4.136 466 HG12 ILE 67 HG12 ILE 67 3.105 -2.148 -2.422 467 HG13 ILE 67 HG13 ILE 67 1.878 -0.886 -2.490 468 HG21 ILE 67 HG21 ILE 67 1.368 -4.420 -3.338 469 HG22 ILE 67 HG22 ILE 67 2.954 -4.108 -4.044 470 HG23 ILE 67 HG23 ILE 67 1.535 -4.233 -5.084 471 HD11 ILE 67 HD11 ILE 67 0.225 -2.437 -1.582 472 HD12 ILE 67 HD12 ILE 67 1.614 -2.274 -0.508 473 HD13 ILE 67 HD13 ILE 67 1.448 -3.708 -1.525 474 H GLY 68 H GLY 68 0.109 -1.596 -6.012 475 HA2 GLY 68 HA2 GLY 68 0.910 -2.897 -8.536 476 HA3 GLY 68 HA3 GLY 68 -0.635 -3.167 -7.753 477 H GLY 69 H GLY 69 -1.364 -0.573 -7.131 478 HA2 GLY 69 HA2 GLY 69 -2.090 1.403 -8.297 479 HA3 GLY 69 HA3 GLY 69 -1.769 0.576 -9.815 480 H ASN 70 H ASN 70 -3.055 -1.749 -8.047 481 HA ASN 70 HA ASN 70 -5.773 -1.238 -9.026 482 HB2 ASN 70 HB2 ASN 70 -4.347 -3.796 -8.269 483 HB3 ASN 70 HB3 ASN 70 -6.067 -3.726 -8.627 484 HD21 ASN 70 HD21 ASN 70 -5.650 -1.663 -10.705 485 HD22 ASN 70 HD22 ASN 70 -5.004 -2.515 -12.064 486 HA PRO 71 HA PRO 71 -7.528 -0.951 -4.949 487 HB2 PRO 71 HB2 PRO 71 -9.530 -2.995 -5.706 488 HB3 PRO 71 HB3 PRO 71 -9.770 -1.326 -5.178 489 HG2 PRO 71 HG2 PRO 71 -10.151 -2.018 -7.723 490 HG3 PRO 71 HG3 PRO 71 -9.407 -0.464 -7.300 491 HD2 PRO 71 HD2 PRO 71 -8.105 -2.991 -8.245 492 HD3 PRO 71 HD3 PRO 71 -7.773 -1.311 -8.716 493 H VAL 72 H VAL 72 -6.827 -1.841 -3.122 494 HA VAL 72 HA VAL 72 -6.852 -4.696 -2.709 495 HB VAL 72 HB VAL 72 -4.657 -4.055 -3.897 496 HG11 VAL 72 HG11 VAL 72 -2.885 -3.196 -2.435 497 HG12 VAL 72 HG12 VAL 72 -4.074 -2.940 -1.157 498 HG13 VAL 72 HG13 VAL 72 -4.184 -2.025 -2.660 499 HG21 VAL 72 HG21 VAL 72 -4.995 -6.199 -2.812 500 HG22 VAL 72 HG22 VAL 72 -4.573 -5.498 -1.249 501 HG23 VAL 72 HG23 VAL 72 -3.357 -5.617 -2.519 502 H ALA 73 H ALA 73 -6.292 -5.225 -0.452 503 HA ALA 73 HA ALA 73 -6.868 -2.958 1.311 504 HB1 ALA 73 HB1 ALA 73 -7.047 -5.913 1.870 505 HB2 ALA 73 HB2 ALA 73 -8.399 -4.874 1.427 506 HB3 ALA 73 HB3 ALA 73 -7.546 -4.610 2.949 507 H PHE 74 H PHE 74 -5.422 -2.392 2.871 508 HA PHE 74 HA PHE 74 -3.143 -4.117 3.365 509 HB2 PHE 74 HB2 PHE 74 -1.499 -2.313 2.908 510 HB3 PHE 74 HB3 PHE 74 -2.377 -2.811 1.473 511 HD1 PHE 74 HD1 PHE 74 -4.399 -1.379 0.782 512 HD2 PHE 74 HD2 PHE 74 -1.372 -0.078 3.468 513 HE1 PHE 74 HE1 PHE 74 -5.003 0.957 0.322 514 HE2 PHE 74 HE2 PHE 74 -1.962 2.255 3.005 515 HZ PHE 74 HZ PHE 74 -3.787 2.779 1.438 516 H ARG 75 H ARG 75 -2.803 -4.211 5.426 517 HA ARG 75 HA ARG 75 -4.147 -2.295 7.156 518 HB2 ARG 75 HB2 ARG 75 -2.930 -5.012 7.641 519 HB3 ARG 75 HB3 ARG 75 -3.575 -4.005 8.932 520 HG2 ARG 75 HG2 ARG 75 -5.772 -4.068 7.950 521 HG3 ARG 75 HG3 ARG 75 -5.157 -4.940 6.546 522 HD2 ARG 75 HD2 ARG 75 -4.909 -6.023 9.334 523 HD3 ARG 75 HD3 ARG 75 -6.346 -6.295 8.353 524 HE ARG 75 HE ARG 75 -4.660 -7.264 6.677 525 HH11 ARG 75 HH11 ARG 75 -4.284 -7.429 10.161 526 HH12 ARG 75 HH12 ARG 75 -3.441 -8.942 10.126 527 HH21 ARG 75 HH21 ARG 75 -3.563 -9.273 6.636 528 HH22 ARG 75 HH22 ARG 75 -3.030 -9.988 8.125 529 H LEU 76 H LEU 76 -3.059 -0.620 7.834 530 HA LEU 76 HA LEU 76 -0.149 -0.670 7.907 531 HB2 LEU 76 HB2 LEU 76 -2.092 1.603 8.341 532 HB3 LEU 76 HB3 LEU 76 -0.350 1.759 8.226 533 HG LEU 76 HG LEU 76 -2.119 0.772 5.987 534 HD11 LEU 76 HD11 LEU 76 -1.718 2.964 4.973 535 HD12 LEU 76 HD12 LEU 76 -0.881 3.483 6.435 536 HD13 LEU 76 HD13 LEU 76 -2.602 3.098 6.493 537 HD21 LEU 76 HD21 LEU 76 0.792 1.553 6.067 538 HD22 LEU 76 HD22 LEU 76 -0.117 1.162 4.608 539 HD23 LEU 76 HD23 LEU 76 0.148 -0.072 5.841 540 H GLN 77 H GLN 77 0.502 -1.686 9.730 541 HA GLN 77 HA GLN 77 -0.767 -1.174 12.276 542 HB2 GLN 77 HB2 GLN 77 1.721 -2.738 11.563 543 HB3 GLN 77 HB3 GLN 77 1.013 -2.661 13.170 544 HG2 GLN 77 HG2 GLN 77 -1.022 -3.716 12.322 545 HG3 GLN 77 HG3 GLN 77 -0.301 -3.800 10.713 546 HE21 GLN 77 HE21 GLN 77 -0.467 -6.057 10.703 547 HE22 GLN 77 HE22 GLN 77 0.594 -7.055 11.638 548 HA PRO 78 HA PRO 78 1.724 2.485 13.055 549 HB2 PRO 78 HB2 PRO 78 0.794 1.995 15.827 550 HB3 PRO 78 HB3 PRO 78 0.655 3.448 14.834 551 HG2 PRO 78 HG2 PRO 78 -1.468 1.914 15.315 552 HG3 PRO 78 HG3 PRO 78 -1.228 2.677 13.732 553 HD2 PRO 78 HD2 PRO 78 -0.761 -0.162 14.559 554 HD3 PRO 78 HD3 PRO 78 -1.441 0.478 13.048 555 H GLN 79 H GLN 79 2.031 -0.637 14.399 556 HA GLN 79 HA GLN 79 4.255 -0.199 16.107 557 HB2 GLN 79 HB2 GLN 79 3.622 -2.755 14.628 558 HB3 GLN 79 HB3 GLN 79 4.515 -2.581 16.130 559 HG2 GLN 79 HG2 GLN 79 1.569 -2.199 15.689 560 HG3 GLN 79 HG3 GLN 79 2.365 -3.446 16.647 561 HE21 GLN 79 HE21 GLN 79 3.235 -2.893 18.663 562 HE22 GLN 79 HE22 GLN 79 2.760 -1.452 19.491 563 H GLY 80 H GLY 80 3.862 -0.198 12.739 564 HA2 GLY 80 HA2 GLY 80 5.667 0.738 11.428 565 HA3 GLY 80 HA3 GLY 80 6.791 -0.188 12.409 566 H GLN 81 H GLN 81 3.789 -1.488 11.095 567 HA GLN 81 HA GLN 81 5.365 -3.071 9.193 568 HB2 GLN 81 HB2 GLN 81 3.394 -4.195 11.186 569 HB3 GLN 81 HB3 GLN 81 4.072 -5.102 9.841 570 HG2 GLN 81 HG2 GLN 81 6.337 -4.676 10.794 571 HG3 GLN 81 HG3 GLN 81 5.549 -3.962 12.199 572 HE21 GLN 81 HE21 GLN 81 3.328 -5.870 12.112 573 HE22 GLN 81 HE22 GLN 81 3.965 -7.368 12.697 574 H ILE 82 H ILE 82 4.524 -3.053 7.249 575 HA ILE 82 HA ILE 82 1.679 -2.420 6.887 576 HB ILE 82 HB ILE 82 3.897 -2.543 4.828 577 HG12 ILE 82 HG12 ILE 82 2.547 -0.142 6.085 578 HG13 ILE 82 HG13 ILE 82 4.180 -0.692 6.444 579 HG21 ILE 82 HG21 ILE 82 2.279 -1.425 3.350 580 HG22 ILE 82 HG22 ILE 82 1.049 -1.578 4.602 581 HG23 ILE 82 HG23 ILE 82 1.729 -3.022 3.855 582 HD11 ILE 82 HD11 ILE 82 4.195 1.201 4.925 583 HD12 ILE 82 HD12 ILE 82 3.198 0.305 3.778 584 HD13 ILE 82 HD13 ILE 82 4.836 -0.242 4.137 585 H VAL 83 H VAL 83 0.353 -4.100 6.676 586 HA VAL 83 HA VAL 83 1.406 -6.584 5.474 587 HB VAL 83 HB VAL 83 -0.889 -6.336 7.430 588 HG11 VAL 83 HG11 VAL 83 -0.721 -8.775 7.578 589 HG12 VAL 83 HG12 VAL 83 0.547 -8.760 6.353 590 HG13 VAL 83 HG13 VAL 83 -1.087 -8.248 5.936 591 HG21 VAL 83 HG21 VAL 83 0.624 -7.359 9.072 592 HG22 VAL 83 HG22 VAL 83 1.205 -5.784 8.532 593 HG23 VAL 83 HG23 VAL 83 1.943 -7.258 7.906 594 H LEU 84 H LEU 84 0.586 -7.021 3.528 595 HA LEU 84 HA LEU 84 -1.670 -5.547 2.519 596 HB2 LEU 84 HB2 LEU 84 0.386 -6.239 1.184 597 HB3 LEU 84 HB3 LEU 84 -0.278 -7.862 1.180 598 HG LEU 84 HG LEU 84 -2.338 -6.903 0.074 599 HD11 LEU 84 HD11 LEU 84 -2.046 -4.746 -1.075 600 HD12 LEU 84 HD12 LEU 84 -0.530 -4.509 -0.204 601 HD13 LEU 84 HD13 LEU 84 -2.054 -4.587 0.680 602 HD21 LEU 84 HD21 LEU 84 -1.318 -6.831 -2.134 603 HD22 LEU 84 HD22 LEU 84 -0.631 -8.136 -1.167 604 HD23 LEU 84 HD23 LEU 84 0.276 -6.641 -1.404 605 H SER 85 H SER 85 -3.617 -6.488 1.699 606 HA SER 85 HA SER 85 -4.254 -9.229 2.378 607 HB2 SER 85 HB2 SER 85 -5.788 -6.927 3.626 608 HB3 SER 85 HB3 SER 85 -6.174 -8.639 3.789 609 HG SER 85 HG SER 85 -3.642 -8.349 4.484 610 H ARG 86 H ARG 86 -6.665 -9.607 1.710 611 HA ARG 86 HA ARG 86 -7.274 -7.879 -0.595 612 HB2 ARG 86 HB2 ARG 86 -6.402 -10.254 -1.101 613 HB3 ARG 86 HB3 ARG 86 -7.961 -10.809 -0.504 614 HG2 ARG 86 HG2 ARG 86 -9.086 -9.451 -2.204 615 HG3 ARG 86 HG3 ARG 86 -7.515 -8.928 -2.813 616 HD2 ARG 86 HD2 ARG 86 -6.987 -11.383 -3.144 617 HD3 ARG 86 HD3 ARG 86 -8.696 -11.693 -2.847 618 HE ARG 86 HE ARG 86 -8.009 -9.777 -4.942 619 HH11 ARG 86 HH11 ARG 86 -9.116 -12.984 -4.067 620 HH12 ARG 86 HH12 ARG 86 -9.699 -13.351 -5.656 621 HH21 ARG 86 HH21 ARG 86 -8.764 -10.265 -7.032 622 HH22 ARG 86 HH22 ARG 86 -9.502 -11.801 -7.347 623 H LEU 87 H LEU 87 -9.203 -6.941 -0.472 624 HA LEU 87 HA LEU 87 -10.901 -7.585 1.756 625 HB2 LEU 87 HB2 LEU 87 -10.318 -5.269 0.367 626 HB3 LEU 87 HB3 LEU 87 -11.951 -5.649 -0.146 627 HG LEU 87 HG LEU 87 -12.585 -5.798 2.285 628 HD11 LEU 87 HD11 LEU 87 -11.123 -4.772 3.917 629 HD12 LEU 87 HD12 LEU 87 -9.900 -4.492 2.678 630 HD13 LEU 87 HD13 LEU 87 -10.311 -6.138 3.152 631 HD21 LEU 87 HD21 LEU 87 -11.537 -3.165 1.266 632 HD22 LEU 87 HD22 LEU 87 -12.699 -3.375 2.577 633 HD23 LEU 87 HD23 LEU 87 -13.124 -3.858 0.936 634 HA PRO 88 HA PRO 88 -13.669 -10.051 -0.676 635 HB2 PRO 88 HB2 PRO 88 -15.631 -10.062 1.393 636 HB3 PRO 88 HB3 PRO 88 -14.394 -11.281 1.083 637 HG2 PRO 88 HG2 PRO 88 -14.491 -9.652 3.322 638 HG3 PRO 88 HG3 PRO 88 -13.044 -10.487 2.735 639 HD2 PRO 88 HD2 PRO 88 -13.886 -7.645 2.335 640 HD3 PRO 88 HD3 PRO 88 -12.269 -8.300 2.652 641 H THR 89 H THR 89 -15.327 -9.721 -2.050 642 HA THR 89 HA THR 89 -16.479 -7.143 -2.307 643 HB THR 89 HB THR 89 -17.469 -9.675 -3.623 644 HG1 THR 89 HG1 THR 89 -15.474 -7.954 -4.682 645 HG21 THR 89 HG21 THR 89 -17.491 -6.779 -4.481 646 HG22 THR 89 HG22 THR 89 -18.886 -7.725 -3.962 647 HG23 THR 89 HG23 THR 89 -18.051 -8.136 -5.459 648 H ALA 90 H ALA 90 -17.699 -6.562 -0.557 649 HA ALA 90 HA ALA 90 -19.566 -8.185 0.771 650 HB1 ALA 90 HB1 ALA 90 -18.659 -6.138 1.747 651 HB2 ALA 90 HB2 ALA 90 -20.421 -6.092 1.715 652 HB3 ALA 90 HB3 ALA 90 -19.494 -5.179 0.528 653 H ASN 91 H ASN 91 -21.608 -8.751 0.293 654 HA ASN 91 HA ASN 91 -22.555 -7.926 -2.355 655 HB2 ASN 91 HB2 ASN 91 -22.099 -10.381 -1.699 656 HB3 ASN 91 HB3 ASN 91 -23.592 -10.271 -0.779 657 HD21 ASN 91 HD21 ASN 91 -24.808 -8.453 -2.786 658 HD22 ASN 91 HD22 ASN 91 -25.228 -9.474 -4.117 659 H GLY 92 H GLY 92 -23.644 -8.299 1.000 660 HA2 GLY 92 HA2 GLY 92 -26.340 -7.501 0.314 661 HA3 GLY 92 HA3 GLY 92 -25.736 -7.856 1.923 662 H ASP 93 H ASP 93 -23.937 -6.129 2.576 663 HA ASP 93 HA ASP 93 -25.376 -3.618 2.533 664 HB2 ASP 93 HB2 ASP 93 -23.814 -2.866 4.240 665 HB3 ASP 93 HB3 ASP 93 -24.438 -4.456 4.655 666 H GLY 94 H GLY 94 -22.469 -4.963 1.160 667 HA2 GLY 94 HA2 GLY 94 -21.538 -4.143 -0.857 668 HA3 GLY 94 HA3 GLY 94 -22.268 -2.580 -0.529 669 H GLY 95 H GLY 95 -21.243 -2.656 2.281 670 HA2 GLY 95 HA2 GLY 95 -19.343 -2.101 3.462 671 HA3 GLY 95 HA3 GLY 95 -18.388 -2.707 2.119 672 H ALA 96 H ALA 96 -19.588 0.075 3.714 673 HA ALA 96 HA ALA 96 -19.299 1.904 1.538 674 HB1 ALA 96 HB1 ALA 96 -19.341 2.461 4.502 675 HB2 ALA 96 HB2 ALA 96 -20.753 2.378 3.449 676 HB3 ALA 96 HB3 ALA 96 -19.552 3.649 3.215 677 H LEU 97 H LEU 97 -17.274 1.104 0.836 678 HA LEU 97 HA LEU 97 -15.203 2.748 0.797 679 HB2 LEU 97 HB2 LEU 97 -13.528 2.209 2.332 680 HB3 LEU 97 HB3 LEU 97 -14.964 2.279 3.327 681 HG LEU 97 HG LEU 97 -13.852 -0.326 2.281 682 HD11 LEU 97 HD11 LEU 97 -12.111 0.764 3.578 683 HD12 LEU 97 HD12 LEU 97 -12.784 -0.601 4.468 684 HD13 LEU 97 HD13 LEU 97 -13.246 1.045 4.898 685 HD21 LEU 97 HD21 LEU 97 -15.652 0.304 4.620 686 HD22 LEU 97 HD22 LEU 97 -15.110 -1.299 4.123 687 HD23 LEU 97 HD23 LEU 97 -16.176 -0.364 3.075 688 H ALA 98 H ALA 98 -16.171 -0.552 1.170 689 HA ALA 98 HA ALA 98 -14.221 -1.623 -0.636 690 HB1 ALA 98 HB1 ALA 98 -16.805 -2.818 0.371 691 HB2 ALA 98 HB2 ALA 98 -15.225 -3.001 1.133 692 HB3 ALA 98 HB3 ALA 98 -15.518 -3.685 -0.465 693 H LEU 99 H LEU 99 -17.526 -0.471 -0.763 694 HA LEU 99 HA LEU 99 -18.103 -1.350 -3.362 695 HB2 LEU 99 HB2 LEU 99 -19.968 0.257 -3.302 696 HB3 LEU 99 HB3 LEU 99 -19.892 -0.772 -1.890 697 HG LEU 99 HG LEU 99 -18.672 1.254 -0.787 698 HD11 LEU 99 HD11 LEU 99 -18.419 2.569 -2.838 699 HD12 LEU 99 HD12 LEU 99 -19.384 3.418 -1.631 700 HD13 LEU 99 HD13 LEU 99 -20.174 2.641 -3.002 701 HD21 LEU 99 HD21 LEU 99 -20.833 2.158 -0.085 702 HD22 LEU 99 HD22 LEU 99 -20.842 0.395 -0.104 703 HD23 LEU 99 HD23 LEU 99 -21.620 1.295 -1.405 704 H ASP 100 H ASP 100 -16.230 1.392 -2.259 705 HA ASP 100 HA ASP 100 -16.397 2.535 -4.958 706 HB2 ASP 100 HB2 ASP 100 -15.617 4.571 -4.113 707 HB3 ASP 100 HB3 ASP 100 -16.664 3.964 -2.838 708 H SER 101 H SER 101 -14.431 0.531 -3.110 709 HA SER 101 HA SER 101 -12.059 1.148 -4.708 710 HB2 SER 101 HB2 SER 101 -12.342 -0.671 -2.307 711 HB3 SER 101 HB3 SER 101 -10.832 -0.256 -3.119 712 HG SER 101 HG SER 101 -12.478 1.319 -1.476 713 H LEU 102 H LEU 102 -14.096 -1.623 -3.793 714 HA LEU 102 HA LEU 102 -12.634 -3.427 -5.487 715 HB2 LEU 102 HB2 LEU 102 -15.254 -3.844 -4.050 716 HB3 LEU 102 HB3 LEU 102 -14.260 -5.097 -4.764 717 HG LEU 102 HG LEU 102 -13.525 -3.382 -2.390 718 HD11 LEU 102 HD11 LEU 102 -14.135 -6.328 -2.576 719 HD12 LEU 102 HD12 LEU 102 -15.240 -5.097 -1.963 720 HD13 LEU 102 HD13 LEU 102 -13.728 -5.424 -1.116 721 HD21 LEU 102 HD21 LEU 102 -12.001 -5.641 -3.689 722 HD22 LEU 102 HD22 LEU 102 -11.547 -4.799 -2.208 723 HD23 LEU 102 HD23 LEU 102 -11.559 -3.935 -3.745 724 H THR 103 H THR 103 -14.501 -1.049 -6.426 725 HA THR 103 HA THR 103 -16.570 -2.096 -7.964 726 HB THR 103 HB THR 103 -14.926 0.256 -8.863 727 HG1 THR 103 HG1 THR 103 -16.723 0.066 -6.657 728 HG21 THR 103 HG21 THR 103 -16.803 -0.457 -10.277 729 HG22 THR 103 HG22 THR 103 -17.101 1.125 -9.559 730 HG23 THR 103 HG23 THR 103 -17.895 -0.307 -8.901 731 H VAL 104 H VAL 104 -13.145 -1.749 -8.653 732 HA VAL 104 HA VAL 104 -13.545 -3.392 -11.058 733 HB VAL 104 HB VAL 104 -11.415 -2.382 -11.938 734 HG11 VAL 104 HG11 VAL 104 -13.768 -0.552 -11.486 735 HG12 VAL 104 HG12 VAL 104 -13.553 -1.692 -12.816 736 HG13 VAL 104 HG13 VAL 104 -12.496 -0.288 -12.678 737 HG21 VAL 104 HG21 VAL 104 -11.878 -0.371 -9.733 738 HG22 VAL 104 HG22 VAL 104 -10.709 -0.212 -11.044 739 HG23 VAL 104 HG23 VAL 104 -10.521 -1.492 -9.846 740 H LEU 105 H LEU 105 -12.844 -5.379 -10.762 741 HA LEU 105 HA LEU 105 -10.421 -5.800 -9.146 742 HB2 LEU 105 HB2 LEU 105 -12.956 -7.435 -9.125 743 HB3 LEU 105 HB3 LEU 105 -11.448 -7.971 -8.410 744 HG LEU 105 HG LEU 105 -13.007 -5.530 -7.551 745 HD11 LEU 105 HD11 LEU 105 -13.481 -6.849 -5.531 746 HD12 LEU 105 HD12 LEU 105 -12.710 -8.247 -6.278 747 HD13 LEU 105 HD13 LEU 105 -14.179 -7.570 -6.980 748 HD21 LEU 105 HD21 LEU 105 -11.454 -5.484 -5.666 749 HD22 LEU 105 HD22 LEU 105 -10.604 -5.286 -7.197 750 HD23 LEU 105 HD23 LEU 105 -10.563 -6.838 -6.360 751 H GLY 106 H GLY 106 -9.754 -8.253 -9.492 752 HA2 GLY 106 HA2 GLY 106 -10.129 -9.096 -12.250 753 HA3 GLY 106 HA3 GLY 106 -8.494 -8.648 -11.780 754 H ALA 107 H ALA 107 -8.658 -11.110 -12.616 755 HA ALA 107 HA ALA 107 -9.326 -12.940 -10.480 756 HB1 ALA 107 HB1 ALA 107 -8.665 -14.682 -12.046 757 HB2 ALA 107 HB2 ALA 107 -8.044 -13.463 -13.159 758 HB3 ALA 107 HB3 ALA 107 -9.771 -13.539 -12.810 759 H GLY 108 H GLY 108 -7.980 -13.644 -8.974 760 HA2 GLY 108 HA2 GLY 108 -5.992 -14.489 -8.098 761 HA3 GLY 108 HA3 GLY 108 -5.152 -13.946 -9.541 762 H GLY 109 H GLY 109 -3.732 -12.391 -9.194 763 HA2 GLY 109 HA2 GLY 109 -3.731 -11.032 -6.643 764 HA3 GLY 109 HA3 GLY 109 -2.478 -10.954 -7.869 765 H ASN 110 H ASN 110 -4.131 -8.957 -6.222 766 HA ASN 110 HA ASN 110 -5.101 -7.276 -8.409 767 HB2 ASN 110 HB2 ASN 110 -5.387 -7.126 -5.414 768 HB3 ASN 110 HB3 ASN 110 -5.742 -5.735 -6.432 769 HD21 ASN 110 HD21 ASN 110 -7.527 -5.778 -7.772 770 HD22 ASN 110 HD22 ASN 110 -8.783 -6.948 -7.596 771 H ASN 111 H ASN 111 -3.352 -6.470 -5.423 772 HA ASN 111 HA ASN 111 -1.733 -4.572 -6.922 773 HB2 ASN 111 HB2 ASN 111 -2.743 -4.703 -4.258 774 HB3 ASN 111 HB3 ASN 111 -0.986 -4.666 -4.169 775 HD21 ASN 111 HD21 ASN 111 -1.080 -2.606 -3.227 776 HD22 ASN 111 HD22 ASN 111 -1.422 -1.188 -4.157 777 H ALA 112 H ALA 112 -1.480 -7.607 -5.253 778 HA ALA 112 HA ALA 112 1.423 -7.608 -5.355 779 HB1 ALA 112 HB1 ALA 112 1.270 -9.712 -4.138 780 HB2 ALA 112 HB2 ALA 112 -0.483 -9.706 -4.323 781 HB3 ALA 112 HB3 ALA 112 0.305 -8.464 -3.350 Start of MODEL 5 1 H1 SER 6 H1 SER 6 -10.752 14.793 -0.978 2 H2 SER 6 H2 SER 6 -10.875 13.647 -2.212 3 H3 SER 6 H3 SER 6 -9.551 14.694 -2.169 4 HA SER 6 HA SER 6 -10.192 12.552 -0.236 5 HB2 SER 6 HB2 SER 6 -9.225 11.739 -2.340 6 HB3 SER 6 HB3 SER 6 -7.895 12.883 -2.185 7 HG SER 6 HG SER 6 -6.936 11.559 -0.876 8 H MET 7 H MET 7 -8.441 15.495 -0.879 9 HA MET 7 HA MET 7 -6.264 15.201 0.816 10 HB2 MET 7 HB2 MET 7 -7.743 17.727 0.074 11 HB3 MET 7 HB3 MET 7 -6.155 17.677 0.822 12 HG2 MET 7 HG2 MET 7 -5.789 18.041 -1.469 13 HG3 MET 7 HG3 MET 7 -5.376 16.355 -1.171 14 HE1 MET 7 HE1 MET 7 -7.767 18.863 -2.932 15 HE2 MET 7 HE2 MET 7 -8.842 18.210 -1.699 16 HE3 MET 7 HE3 MET 7 -9.131 17.848 -3.400 17 H ALA 8 H ALA 8 -9.562 16.108 1.575 18 HA ALA 8 HA ALA 8 -8.985 17.097 4.190 19 HB1 ALA 8 HB1 ALA 8 -11.394 17.099 4.516 20 HB2 ALA 8 HB2 ALA 8 -11.607 16.138 3.052 21 HB3 ALA 8 HB3 ALA 8 -10.980 17.783 2.944 22 H GLN 9 H GLN 9 -10.349 14.025 2.994 23 HA GLN 9 HA GLN 9 -10.539 12.932 5.638 24 HB2 GLN 9 HB2 GLN 9 -10.928 11.754 2.897 25 HB3 GLN 9 HB3 GLN 9 -11.064 10.791 4.363 26 HG2 GLN 9 HG2 GLN 9 -12.875 12.163 5.152 27 HG3 GLN 9 HG3 GLN 9 -12.688 13.256 3.783 28 HE21 GLN 9 HE21 GLN 9 -14.807 12.934 3.149 29 HE22 GLN 9 HE22 GLN 9 -15.333 11.476 2.388 30 H ALA 10 H ALA 10 -8.093 13.013 3.210 31 HA ALA 10 HA ALA 10 -6.620 10.810 4.426 32 HB1 ALA 10 HB1 ALA 10 -6.606 10.974 2.001 33 HB2 ALA 10 HB2 ALA 10 -4.981 11.198 2.645 34 HB3 ALA 10 HB3 ALA 10 -5.913 12.591 2.099 35 H ALA 11 H ALA 11 -7.181 13.766 5.384 36 HA ALA 11 HA ALA 11 -6.235 15.189 6.858 37 HB1 ALA 11 HB1 ALA 11 -4.291 14.547 8.136 38 HB2 ALA 11 HB2 ALA 11 -3.914 13.269 6.981 39 HB3 ALA 11 HB3 ALA 11 -5.373 13.163 7.966 40 H GLN 12 H GLN 12 -3.212 14.062 5.358 41 HA GLN 12 HA GLN 12 -3.012 16.596 3.929 42 HB2 GLN 12 HB2 GLN 12 -0.715 16.974 4.753 43 HB3 GLN 12 HB3 GLN 12 -1.919 17.082 6.029 44 HG2 GLN 12 HG2 GLN 12 -1.329 14.901 6.840 45 HG3 GLN 12 HG3 GLN 12 -0.232 14.653 5.482 46 HE21 GLN 12 HE21 GLN 12 0.285 14.634 8.367 47 HE22 GLN 12 HE22 GLN 12 1.522 15.818 8.621 48 H GLN 13 H GLN 13 -1.418 16.615 2.273 49 HA GLN 13 HA GLN 13 -0.663 13.924 1.359 50 HB2 GLN 13 HB2 GLN 13 -1.126 16.472 -0.198 51 HB3 GLN 13 HB3 GLN 13 -0.494 14.990 -0.902 52 HG2 GLN 13 HG2 GLN 13 -2.569 13.836 -0.229 53 HG3 GLN 13 HG3 GLN 13 -3.200 15.374 0.354 54 HE21 GLN 13 HE21 GLN 13 -2.013 16.923 -1.787 55 HE22 GLN 13 HE22 GLN 13 -2.930 16.577 -3.211 56 H LYS 14 H LYS 14 1.436 13.453 0.997 57 HA LYS 14 HA LYS 14 3.386 15.608 1.480 58 HB2 LYS 14 HB2 LYS 14 3.642 12.616 1.849 59 HB3 LYS 14 HB3 LYS 14 4.972 13.749 2.029 60 HG2 LYS 14 HG2 LYS 14 2.453 13.821 3.678 61 HG3 LYS 14 HG3 LYS 14 3.945 13.020 4.170 62 HD2 LYS 14 HD2 LYS 14 5.122 15.192 3.979 63 HD3 LYS 14 HD3 LYS 14 3.581 15.962 3.600 64 HE2 LYS 14 HE2 LYS 14 4.091 16.282 5.939 65 HE3 LYS 14 HE3 LYS 14 2.700 15.213 5.778 66 HZ1 LYS 14 HZ1 LYS 14 4.154 13.322 6.165 67 HZ2 LYS 14 HZ2 LYS 14 4.252 14.412 7.452 68 HZ3 LYS 14 HZ3 LYS 14 5.494 14.344 6.306 69 H ASN 15 H ASN 15 5.303 15.617 0.167 70 HA ASN 15 HA ASN 15 4.709 14.869 -2.571 71 HB2 ASN 15 HB2 ASN 15 5.596 17.118 -2.075 72 HB3 ASN 15 HB3 ASN 15 7.067 16.389 -1.439 73 HD21 ASN 15 HD21 ASN 15 5.209 17.080 -4.288 74 HD22 ASN 15 HD22 ASN 15 6.468 16.745 -5.428 75 H PHE 16 H PHE 16 5.254 12.942 -3.302 76 HA PHE 16 HA PHE 16 7.611 11.621 -2.131 77 HB2 PHE 16 HB2 PHE 16 5.076 10.440 -3.269 78 HB3 PHE 16 HB3 PHE 16 6.498 9.485 -2.868 79 HD1 PHE 16 HD1 PHE 16 7.259 9.371 -0.521 80 HD2 PHE 16 HD2 PHE 16 3.551 11.113 -1.620 81 HE1 PHE 16 HE1 PHE 16 6.487 9.173 1.810 82 HE2 PHE 16 HE2 PHE 16 2.758 10.916 0.699 83 HZ PHE 16 HZ PHE 16 4.229 9.946 2.422 84 H ASN 17 H ASN 17 8.956 10.420 -3.467 85 HA ASN 17 HA ASN 17 8.574 10.463 -6.345 86 HB2 ASN 17 HB2 ASN 17 9.786 12.570 -5.931 87 HB3 ASN 17 HB3 ASN 17 11.024 11.689 -5.042 88 HD21 ASN 17 HD21 ASN 17 12.685 12.265 -6.381 89 HD22 ASN 17 HD22 ASN 17 12.839 11.677 -8.000 90 H ILE 18 H ILE 18 8.460 8.238 -6.263 91 HA ILE 18 HA ILE 18 10.782 6.825 -5.115 92 HB ILE 18 HB ILE 18 8.062 5.613 -5.609 93 HG12 ILE 18 HG12 ILE 18 7.848 7.449 -3.962 94 HG13 ILE 18 HG13 ILE 18 7.568 5.871 -3.237 95 HG21 ILE 18 HG21 ILE 18 9.906 4.033 -5.469 96 HG22 ILE 18 HG22 ILE 18 8.839 3.876 -4.073 97 HG23 ILE 18 HG23 ILE 18 10.384 4.711 -3.912 98 HD11 ILE 18 HD11 ILE 18 8.871 7.314 -1.783 99 HD12 ILE 18 HD12 ILE 18 10.107 7.474 -3.033 100 HD13 ILE 18 HD13 ILE 18 9.806 5.904 -2.285 101 H ALA 19 H ALA 19 12.090 5.936 -6.566 102 HA ALA 19 HA ALA 19 11.287 5.437 -9.289 103 HB1 ALA 19 HB1 ALA 19 13.588 6.099 -8.765 104 HB2 ALA 19 HB2 ALA 19 13.549 4.519 -9.544 105 HB3 ALA 19 HB3 ALA 19 13.794 4.636 -7.803 106 H ALA 20 H ALA 20 11.351 3.217 -10.248 107 HA ALA 20 HA ALA 20 9.756 1.498 -8.630 108 HB1 ALA 20 HB1 ALA 20 9.776 -0.010 -10.543 109 HB2 ALA 20 HB2 ALA 20 11.068 0.932 -11.287 110 HB3 ALA 20 HB3 ALA 20 9.473 1.649 -11.061 111 H GLN 21 H GLN 21 10.737 0.696 -6.914 112 HA GLN 21 HA GLN 21 13.239 -0.806 -7.221 113 HB2 GLN 21 HB2 GLN 21 11.783 0.112 -4.727 114 HB3 GLN 21 HB3 GLN 21 13.321 -0.740 -4.750 115 HG2 GLN 21 HG2 GLN 21 14.358 1.138 -5.896 116 HG3 GLN 21 HG3 GLN 21 12.811 1.985 -5.920 117 HE21 GLN 21 HE21 GLN 21 13.554 3.712 -4.730 118 HE22 GLN 21 HE22 GLN 21 13.923 3.595 -3.047 119 HA PRO 22 HA PRO 22 11.135 -4.755 -6.343 120 HB2 PRO 22 HB2 PRO 22 12.682 -5.541 -4.148 121 HB3 PRO 22 HB3 PRO 22 13.016 -5.947 -5.833 122 HG2 PRO 22 HG2 PRO 22 14.199 -3.813 -4.126 123 HG3 PRO 22 HG3 PRO 22 14.959 -4.794 -5.391 124 HD2 PRO 22 HD2 PRO 22 14.276 -2.234 -5.819 125 HD3 PRO 22 HD3 PRO 22 14.134 -3.460 -7.097 126 H LEU 23 H LEU 23 9.458 -5.283 -4.965 127 HA LEU 23 HA LEU 23 8.205 -3.140 -3.786 128 HB2 LEU 23 HB2 LEU 23 7.495 -5.687 -4.409 129 HB3 LEU 23 HB3 LEU 23 7.439 -5.740 -2.659 130 HG LEU 23 HG LEU 23 5.930 -3.794 -4.390 131 HD11 LEU 23 HD11 LEU 23 5.011 -6.001 -4.626 132 HD12 LEU 23 HD12 LEU 23 3.943 -5.044 -3.599 133 HD13 LEU 23 HD13 LEU 23 5.025 -6.236 -2.879 134 HD21 LEU 23 HD21 LEU 23 5.859 -4.238 -1.413 135 HD22 LEU 23 HD22 LEU 23 4.776 -3.182 -2.321 136 HD23 LEU 23 HD23 LEU 23 6.503 -2.820 -2.247 137 H GLN 24 H GLN 24 10.117 -5.632 -2.142 138 HA GLN 24 HA GLN 24 9.517 -4.942 0.494 139 HB2 GLN 24 HB2 GLN 24 12.107 -6.021 -0.632 140 HB3 GLN 24 HB3 GLN 24 11.714 -5.958 1.077 141 HG2 GLN 24 HG2 GLN 24 11.325 -8.169 0.373 142 HG3 GLN 24 HG3 GLN 24 9.741 -7.426 0.576 143 HE21 GLN 24 HE21 GLN 24 8.792 -8.939 -0.782 144 HE22 GLN 24 HE22 GLN 24 9.004 -8.900 -2.498 145 H SER 25 H SER 25 12.226 -3.853 -1.530 146 HA SER 25 HA SER 25 13.224 -2.025 0.406 147 HB2 SER 25 HB2 SER 25 14.702 -2.991 -1.271 148 HB3 SER 25 HB3 SER 25 13.756 -2.258 -2.565 149 HG SER 25 HG SER 25 14.368 -0.203 -1.738 150 H ALA 26 H ALA 26 10.948 -1.821 -2.233 151 HA ALA 26 HA ALA 26 10.941 0.917 -2.723 152 HB1 ALA 26 HB1 ALA 26 8.581 -0.974 -2.806 153 HB2 ALA 26 HB2 ALA 26 9.762 -0.744 -4.102 154 HB3 ALA 26 HB3 ALA 26 8.704 0.585 -3.629 155 H MET 27 H MET 27 8.715 -0.887 -0.606 156 HA MET 27 HA MET 27 7.734 1.605 0.490 157 HB2 MET 27 HB2 MET 27 7.003 -1.125 1.514 158 HB3 MET 27 HB3 MET 27 6.055 0.354 1.568 159 HG2 MET 27 HG2 MET 27 6.630 -1.389 -0.801 160 HG3 MET 27 HG3 MET 27 5.072 -1.039 -0.059 161 HE1 MET 27 HE1 MET 27 4.308 -0.462 -2.834 162 HE2 MET 27 HE2 MET 27 5.972 -1.002 -3.049 163 HE3 MET 27 HE3 MET 27 5.435 0.507 -3.784 164 H LEU 28 H LEU 28 10.188 -0.642 1.249 165 HA LEU 28 HA LEU 28 10.515 -0.004 3.961 166 HB2 LEU 28 HB2 LEU 28 11.898 -1.701 2.903 167 HB3 LEU 28 HB3 LEU 28 12.595 -0.508 1.825 168 HG LEU 28 HG LEU 28 13.641 0.607 3.777 169 HD11 LEU 28 HD11 LEU 28 12.085 -0.073 5.504 170 HD12 LEU 28 HD12 LEU 28 13.719 -0.588 5.919 171 HD13 LEU 28 HD13 LEU 28 12.558 -1.760 5.296 172 HD21 LEU 28 HD21 LEU 28 14.906 -1.002 2.466 173 HD22 LEU 28 HD22 LEU 28 14.289 -2.321 3.461 174 HD23 LEU 28 HD23 LEU 28 15.349 -1.104 4.169 175 H ARG 29 H ARG 29 11.788 1.551 1.033 176 HA ARG 29 HA ARG 29 13.024 3.715 2.349 177 HB2 ARG 29 HB2 ARG 29 12.017 3.505 -0.492 178 HB3 ARG 29 HB3 ARG 29 13.093 4.759 0.111 179 HG2 ARG 29 HG2 ARG 29 13.698 1.813 0.032 180 HG3 ARG 29 HG3 ARG 29 14.320 3.030 -1.085 181 HD2 ARG 29 HD2 ARG 29 15.433 4.167 0.772 182 HD3 ARG 29 HD3 ARG 29 14.785 2.976 1.898 183 HE ARG 29 HE ARG 29 16.469 2.021 -0.287 184 HH11 ARG 29 HH11 ARG 29 16.087 2.728 3.133 185 HH12 ARG 29 HH12 ARG 29 17.511 1.838 3.593 186 HH21 ARG 29 HH21 ARG 29 18.322 0.849 0.328 187 HH22 ARG 29 HH22 ARG 29 18.784 0.772 1.996 188 H PHE 30 H PHE 30 9.832 3.408 0.831 189 HA PHE 30 HA PHE 30 8.990 6.055 1.308 190 HB2 PHE 30 HB2 PHE 30 7.609 4.958 -0.195 191 HB3 PHE 30 HB3 PHE 30 7.601 3.470 0.740 192 HD1 PHE 30 HD2 PHE 30 6.292 6.939 0.711 193 HD2 PHE 30 HD1 PHE 30 5.847 2.978 2.192 194 HE1 PHE 30 HE2 PHE 30 4.121 7.552 1.691 195 HE2 PHE 30 HE1 PHE 30 3.682 3.587 3.184 196 HZ PHE 30 HZ PHE 30 2.817 5.877 2.934 197 H ALA 31 H ALA 31 8.403 3.074 3.165 198 HA ALA 31 HA ALA 31 6.902 4.415 5.163 199 HB1 ALA 31 HB1 ALA 31 8.149 1.679 5.132 200 HB2 ALA 31 HB2 ALA 31 6.479 2.099 4.745 201 HB3 ALA 31 HB3 ALA 31 7.075 2.272 6.395 202 H GLU 32 H GLU 32 10.284 3.911 4.665 203 HA GLU 32 HA GLU 32 11.226 4.224 7.289 204 HB2 GLU 32 HB2 GLU 32 12.362 5.027 4.635 205 HB3 GLU 32 HB3 GLU 32 13.158 5.548 6.114 206 HG2 GLU 32 HG2 GLU 32 13.248 3.136 6.795 207 HG3 GLU 32 HG3 GLU 32 12.686 2.734 5.173 208 H GLN 33 H GLN 33 9.924 6.587 5.059 209 HA GLN 33 HA GLN 33 10.559 8.786 6.857 210 HB2 GLN 33 HB2 GLN 33 9.170 8.711 4.176 211 HB3 GLN 33 HB3 GLN 33 9.455 10.181 5.095 212 HG2 GLN 33 HG2 GLN 33 11.578 8.327 4.039 213 HG3 GLN 33 HG3 GLN 33 11.112 9.875 3.337 214 HE21 GLN 33 HE21 GLN 33 10.767 11.150 5.944 215 HE22 GLN 33 HE22 GLN 33 12.360 11.424 6.555 216 H ALA 34 H ALA 34 8.067 6.568 6.376 217 HA ALA 34 HA ALA 34 6.008 8.345 7.454 218 HB1 ALA 34 HB1 ALA 34 5.736 5.503 6.489 219 HB2 ALA 34 HB2 ALA 34 5.480 6.935 5.493 220 HB3 ALA 34 HB3 ALA 34 4.426 6.620 6.872 221 H GLY 35 H GLY 35 8.220 5.970 8.478 222 HA2 GLY 35 HA2 GLY 35 8.674 5.526 10.752 223 HA3 GLY 35 HA3 GLY 35 7.036 6.020 11.154 224 H MET 36 H MET 36 7.576 3.849 8.515 225 HA MET 36 HA MET 36 6.603 1.607 10.154 226 HB2 MET 36 HB2 MET 36 5.530 2.468 7.458 227 HB3 MET 36 HB3 MET 36 5.102 0.968 8.267 228 HG2 MET 36 HG2 MET 36 3.518 1.999 9.405 229 HG3 MET 36 HG3 MET 36 4.691 3.133 10.069 230 HE1 MET 36 HE1 MET 36 2.208 3.799 6.240 231 HE2 MET 36 HE2 MET 36 1.970 2.463 7.366 232 HE3 MET 36 HE3 MET 36 3.421 2.525 6.368 233 H GLN 37 H GLN 37 6.703 -0.492 8.753 234 HA GLN 37 HA GLN 37 8.850 -0.476 6.786 235 HB2 GLN 37 HB2 GLN 37 9.985 -0.841 8.959 236 HB3 GLN 37 HB3 GLN 37 8.937 -2.221 9.264 237 HG2 GLN 37 HG2 GLN 37 9.875 -3.370 7.328 238 HG3 GLN 37 HG3 GLN 37 10.910 -1.982 6.999 239 HE21 GLN 37 HE21 GLN 37 10.336 -4.710 9.073 240 HE22 GLN 37 HE22 GLN 37 11.868 -4.674 9.873 241 H VAL 38 H VAL 38 8.892 -2.434 5.516 242 HA VAL 38 HA VAL 38 6.288 -3.583 5.169 243 HB VAL 38 HB VAL 38 7.359 -4.897 3.353 244 HG11 VAL 38 HG11 VAL 38 7.839 -2.991 1.888 245 HG12 VAL 38 HG12 VAL 38 7.905 -1.938 3.304 246 HG13 VAL 38 HG13 VAL 38 6.392 -2.734 2.865 247 HG21 VAL 38 HG21 VAL 38 9.588 -5.131 4.302 248 HG22 VAL 38 HG22 VAL 38 9.848 -3.394 4.150 249 HG23 VAL 38 HG23 VAL 38 9.668 -4.388 2.704 250 H PHE 39 H PHE 39 5.656 -5.675 5.537 251 HA PHE 39 HA PHE 39 7.592 -7.415 6.906 252 HB2 PHE 39 HB2 PHE 39 6.002 -6.501 8.553 253 HB3 PHE 39 HB3 PHE 39 4.658 -7.098 7.584 254 HD1 PHE 39 HD1 PHE 39 7.400 -8.035 9.824 255 HD2 PHE 39 HD2 PHE 39 4.080 -9.441 7.564 256 HE1 PHE 39 HE1 PHE 39 7.495 -10.180 11.023 257 HE2 PHE 39 HE2 PHE 39 4.168 -11.586 8.761 258 HZ PHE 39 HZ PHE 39 5.878 -11.958 10.493 259 H PHE 40 H PHE 40 7.931 -9.171 5.749 260 HA PHE 40 HA PHE 40 5.628 -10.401 4.393 261 HB2 PHE 40 HB2 PHE 40 8.505 -10.328 3.455 262 HB3 PHE 40 HB3 PHE 40 7.273 -11.367 2.759 263 HD1 PHE 40 HD1 PHE 40 8.165 -7.809 3.331 264 HD2 PHE 40 HD2 PHE 40 5.854 -10.590 1.086 265 HE1 PHE 40 HE1 PHE 40 7.535 -6.019 1.765 266 HE2 PHE 40 HE2 PHE 40 5.213 -8.801 -0.477 267 HZ PHE 40 HZ PHE 40 6.053 -6.512 -0.139 268 H ASP 41 H ASP 41 5.185 -12.396 5.071 269 HA ASP 41 HA ASP 41 7.003 -13.690 6.917 270 HB2 ASP 41 HB2 ASP 41 5.246 -15.326 7.254 271 HB3 ASP 41 HB3 ASP 41 4.554 -13.714 7.334 272 H GLU 42 H GLU 42 6.735 -16.374 6.331 273 HA GLU 42 HA GLU 42 8.643 -16.560 4.215 274 HB2 GLU 42 HB2 GLU 42 7.238 -18.728 5.781 275 HB3 GLU 42 HB3 GLU 42 8.606 -18.983 4.702 276 HG2 GLU 42 HG2 GLU 42 10.008 -17.596 6.106 277 HG3 GLU 42 HG3 GLU 42 8.641 -17.251 7.163 278 H VAL 43 H VAL 43 7.593 -15.832 2.389 279 HA VAL 43 HA VAL 43 5.550 -17.641 1.285 280 HB VAL 43 HB VAL 43 4.703 -15.651 -0.004 281 HG11 VAL 43 HG11 VAL 43 4.515 -15.517 3.003 282 HG12 VAL 43 HG12 VAL 43 3.503 -16.488 1.934 283 HG13 VAL 43 HG13 VAL 43 3.414 -14.728 1.873 284 HG21 VAL 43 HG21 VAL 43 5.223 -13.414 0.841 285 HG22 VAL 43 HG22 VAL 43 6.672 -14.216 0.233 286 HG23 VAL 43 HG23 VAL 43 6.390 -14.104 1.971 287 H LYS 44 H LYS 44 5.584 -17.945 -0.983 288 HA LYS 44 HA LYS 44 8.243 -17.524 -2.150 289 HB2 LYS 44 HB2 LYS 44 7.486 -19.863 -1.933 290 HB3 LYS 44 HB3 LYS 44 6.080 -19.491 -2.918 291 HG2 LYS 44 HG2 LYS 44 7.529 -18.989 -4.814 292 HG3 LYS 44 HG3 LYS 44 8.947 -19.339 -3.825 293 HD2 LYS 44 HD2 LYS 44 8.397 -21.247 -5.232 294 HD3 LYS 44 HD3 LYS 44 8.162 -21.646 -3.530 295 HE2 LYS 44 HE2 LYS 44 5.768 -21.314 -3.759 296 HE3 LYS 44 HE3 LYS 44 5.976 -20.825 -5.439 297 HZ1 LYS 44 HZ1 LYS 44 5.258 -23.126 -5.247 298 HZ2 LYS 44 HZ2 LYS 44 6.631 -23.502 -4.332 299 HZ3 LYS 44 HZ3 LYS 44 6.795 -23.030 -5.948 300 H LEU 45 H LEU 45 7.957 -15.449 -2.933 301 HA LEU 45 HA LEU 45 6.647 -15.331 -5.481 302 HB2 LEU 45 HB2 LEU 45 5.493 -13.107 -4.796 303 HB3 LEU 45 HB3 LEU 45 4.711 -14.635 -4.460 304 HG LEU 45 HG LEU 45 5.828 -14.382 -2.107 305 HD11 LEU 45 HD11 LEU 45 6.025 -12.066 -1.375 306 HD12 LEU 45 HD12 LEU 45 5.741 -11.514 -3.026 307 HD13 LEU 45 HD13 LEU 45 7.193 -12.438 -2.643 308 HD21 LEU 45 HD21 LEU 45 3.473 -12.720 -2.986 309 HD22 LEU 45 HD22 LEU 45 3.843 -13.179 -1.324 310 HD23 LEU 45 HD23 LEU 45 3.436 -14.418 -2.511 311 H ASP 46 H ASP 46 7.888 -14.266 -6.832 312 HA ASP 46 HA ASP 46 9.652 -12.155 -5.797 313 HB2 ASP 46 HB2 ASP 46 11.527 -12.963 -7.031 314 HB3 ASP 46 HB3 ASP 46 10.883 -14.342 -6.147 315 H GLY 47 H GLY 47 10.477 -10.729 -7.558 316 HA2 GLY 47 HA2 GLY 47 10.232 -9.632 -9.607 317 HA3 GLY 47 HA3 GLY 47 8.933 -10.745 -10.021 318 H MET 48 H MET 48 8.655 -9.447 -6.927 319 HA MET 48 HA MET 48 6.433 -7.771 -7.766 320 HB2 MET 48 HB2 MET 48 7.449 -8.430 -4.990 321 HB3 MET 48 HB3 MET 48 5.971 -7.559 -5.358 322 HG2 MET 48 HG2 MET 48 6.548 -10.414 -6.109 323 HG3 MET 48 HG3 MET 48 5.550 -9.888 -4.754 324 HE1 MET 48 HE1 MET 48 2.895 -11.344 -7.217 325 HE2 MET 48 HE2 MET 48 3.543 -11.384 -5.577 326 HE3 MET 48 HE3 MET 48 4.524 -11.953 -6.927 327 H GLN 49 H GLN 49 6.723 -5.692 -8.166 328 HA GLN 49 HA GLN 49 8.801 -4.227 -6.721 329 HB2 GLN 49 HB2 GLN 49 9.605 -3.190 -8.789 330 HB3 GLN 49 HB3 GLN 49 9.825 -4.933 -8.830 331 HG2 GLN 49 HG2 GLN 49 7.909 -5.186 -10.268 332 HG3 GLN 49 HG3 GLN 49 7.560 -3.462 -10.152 333 HE21 GLN 49 HE21 GLN 49 8.873 -1.997 -11.238 334 HE22 GLN 49 HE22 GLN 49 9.952 -2.485 -12.499 335 H ALA 50 H ALA 50 8.609 -1.856 -7.122 336 HA ALA 50 HA ALA 50 5.801 -1.110 -6.924 337 HB1 ALA 50 HB1 ALA 50 7.363 -0.284 -5.237 338 HB2 ALA 50 HB2 ALA 50 6.661 1.049 -6.154 339 HB3 ALA 50 HB3 ALA 50 8.309 0.517 -6.493 340 H ALA 51 H ALA 51 5.049 0.841 -8.041 341 HA ALA 51 HA ALA 51 6.054 0.960 -10.784 342 HB1 ALA 51 HB1 ALA 51 3.542 2.122 -9.578 343 HB2 ALA 51 HB2 ALA 51 3.652 0.606 -10.471 344 HB3 ALA 51 HB3 ALA 51 3.969 2.135 -11.288 345 H ALA 52 H ALA 52 5.818 3.292 -11.748 346 HA ALA 52 HA ALA 52 7.743 4.897 -10.401 347 HB1 ALA 52 HB1 ALA 52 7.571 4.759 -12.857 348 HB2 ALA 52 HB2 ALA 52 7.513 6.418 -12.265 349 HB3 ALA 52 HB3 ALA 52 6.031 5.615 -12.777 350 H LEU 53 H LEU 53 7.266 5.998 -8.640 351 HA LEU 53 HA LEU 53 4.616 7.255 -8.396 352 HB2 LEU 53 HB2 LEU 53 5.411 5.514 -6.713 353 HB3 LEU 53 HB3 LEU 53 6.608 6.680 -6.205 354 HG LEU 53 HG LEU 53 4.665 6.557 -4.693 355 HD11 LEU 53 HD11 LEU 53 4.930 9.201 -6.103 356 HD12 LEU 53 HD12 LEU 53 5.956 8.609 -4.798 357 HD13 LEU 53 HD13 LEU 53 4.251 8.941 -4.496 358 HD21 LEU 53 HD21 LEU 53 2.523 7.467 -5.372 359 HD22 LEU 53 HD22 LEU 53 2.944 6.049 -6.334 360 HD23 LEU 53 HD23 LEU 53 3.114 7.665 -7.022 361 H ASN 54 H ASN 54 4.624 9.387 -8.801 362 HA ASN 54 HA ASN 54 6.630 11.048 -7.526 363 HB2 ASN 54 HB2 ASN 54 7.625 10.526 -9.741 364 HB3 ASN 54 HB3 ASN 54 6.195 11.195 -10.519 365 HD21 ASN 54 HD21 ASN 54 7.363 12.772 -11.588 366 HD22 ASN 54 HD22 ASN 54 8.040 14.139 -10.769 367 H GLY 55 H GLY 55 5.103 12.053 -6.311 368 HA2 GLY 55 HA2 GLY 55 3.705 14.215 -7.399 369 HA3 GLY 55 HA3 GLY 55 2.568 12.885 -7.233 370 H SER 56 H SER 56 2.012 15.092 -5.855 371 HA SER 56 HA SER 56 2.840 14.574 -3.094 372 HB2 SER 56 HB2 SER 56 1.126 16.818 -4.196 373 HB3 SER 56 HB3 SER 56 1.775 16.704 -2.560 374 HG SER 56 HG SER 56 3.108 17.234 -4.986 375 H MET 57 H MET 57 1.682 13.018 -2.147 376 HA MET 57 HA MET 57 -1.215 13.077 -2.288 377 HB2 MET 57 HB2 MET 57 -1.396 10.756 -3.064 378 HB3 MET 57 HB3 MET 57 -0.640 11.784 -4.269 379 HG2 MET 57 HG2 MET 57 1.578 10.945 -3.463 380 HG3 MET 57 HG3 MET 57 0.700 9.782 -2.469 381 HE1 MET 57 HE1 MET 57 -0.079 11.103 -6.135 382 HE2 MET 57 HE2 MET 57 0.713 9.848 -7.085 383 HE3 MET 57 HE3 MET 57 1.673 10.918 -6.065 384 H SER 58 H SER 58 -2.061 11.056 -0.997 385 HA SER 58 HA SER 58 -0.544 11.080 1.508 386 HB2 SER 58 HB2 SER 58 -3.426 10.281 1.054 387 HB3 SER 58 HB3 SER 58 -2.637 10.580 2.603 388 HG SER 58 HG SER 58 -2.618 12.715 2.216 389 H VAL 59 H VAL 59 -1.177 8.954 2.865 390 HA VAL 59 HA VAL 59 0.408 6.938 1.840 391 HB VAL 59 HB VAL 59 -0.185 7.211 4.222 392 HG11 VAL 59 HG11 VAL 59 -2.567 7.525 4.081 393 HG12 VAL 59 HG12 VAL 59 -2.194 6.151 5.121 394 HG13 VAL 59 HG13 VAL 59 -2.771 5.880 3.477 395 HG21 VAL 59 HG21 VAL 59 -0.193 4.812 4.760 396 HG22 VAL 59 HG22 VAL 59 0.953 5.216 3.482 397 HG23 VAL 59 HG23 VAL 59 -0.586 4.457 3.076 398 H GLU 60 H GLU 60 -3.131 7.104 1.812 399 HA GLU 60 HA GLU 60 -3.615 4.623 0.677 400 HB2 GLU 60 HB2 GLU 60 -5.144 7.197 0.505 401 HB3 GLU 60 HB3 GLU 60 -5.689 5.761 -0.349 402 HG2 GLU 60 HG2 GLU 60 -5.486 4.623 1.975 403 HG3 GLU 60 HG3 GLU 60 -5.548 6.277 2.584 404 H GLN 61 H GLN 61 -3.587 7.701 -1.099 405 HA GLN 61 HA GLN 61 -3.744 6.600 -3.645 406 HB2 GLN 61 HB2 GLN 61 -2.508 9.206 -2.755 407 HB3 GLN 61 HB3 GLN 61 -2.816 8.786 -4.433 408 HG2 GLN 61 HG2 GLN 61 -4.576 10.200 -3.699 409 HG3 GLN 61 HG3 GLN 61 -5.232 8.574 -3.861 410 HE21 GLN 61 HE21 GLN 61 -6.920 8.943 -2.462 411 HE22 GLN 61 HE22 GLN 61 -6.704 9.140 -0.758 412 H GLY 62 H GLY 62 -0.941 7.300 -1.644 413 HA2 GLY 62 HA2 GLY 62 1.071 6.854 -3.537 414 HA3 GLY 62 HA3 GLY 62 1.239 6.624 -1.802 415 H LEU 63 H LEU 63 -0.095 4.546 -1.068 416 HA LEU 63 HA LEU 63 1.391 2.396 -2.130 417 HB2 LEU 63 HB2 LEU 63 -0.834 2.583 -0.140 418 HB3 LEU 63 HB3 LEU 63 -0.270 1.021 -0.688 419 HG LEU 63 HG LEU 63 0.757 1.619 1.428 420 HD11 LEU 63 HD11 LEU 63 2.043 0.285 -0.187 421 HD12 LEU 63 HD12 LEU 63 3.073 1.257 0.863 422 HD13 LEU 63 HD13 LEU 63 2.778 1.765 -0.799 423 HD21 LEU 63 HD21 LEU 63 0.662 4.036 1.247 424 HD22 LEU 63 HD22 LEU 63 1.879 3.998 -0.030 425 HD23 LEU 63 HD23 LEU 63 2.301 3.497 1.606 426 H ARG 64 H ARG 64 -1.710 3.681 -2.963 427 HA ARG 64 HA ARG 64 -2.807 1.419 -4.233 428 HB2 ARG 64 HB2 ARG 64 -3.183 4.359 -4.808 429 HB3 ARG 64 HB3 ARG 64 -4.112 3.088 -5.591 430 HG2 ARG 64 HG2 ARG 64 -4.987 2.388 -3.420 431 HG3 ARG 64 HG3 ARG 64 -4.054 3.663 -2.634 432 HD2 ARG 64 HD2 ARG 64 -5.287 5.322 -4.023 433 HD3 ARG 64 HD3 ARG 64 -6.293 4.007 -4.623 434 HE ARG 64 HE ARG 64 -6.374 3.951 -1.833 435 HH11 ARG 64 HH11 ARG 64 -7.410 5.982 -4.480 436 HH12 ARG 64 HH12 ARG 64 -8.727 6.687 -3.599 437 HH21 ARG 64 HH21 ARG 64 -8.107 4.900 -0.639 438 HH22 ARG 64 HH22 ARG 64 -9.121 6.076 -1.423 439 H ARG 65 H ARG 65 -0.871 4.082 -5.527 440 HA ARG 65 HA ARG 65 -0.687 2.853 -8.131 441 HB2 ARG 65 HB2 ARG 65 -0.718 5.369 -7.503 442 HB3 ARG 65 HB3 ARG 65 0.991 5.147 -7.172 443 HG2 ARG 65 HG2 ARG 65 1.411 4.517 -9.442 444 HG3 ARG 65 HG3 ARG 65 -0.318 4.516 -9.807 445 HD2 ARG 65 HD2 ARG 65 1.422 6.872 -9.113 446 HD3 ARG 65 HD3 ARG 65 0.577 6.560 -10.629 447 HE ARG 65 HE ARG 65 -1.333 6.648 -8.604 448 HH11 ARG 65 HH11 ARG 65 0.909 8.834 -10.166 449 HH12 ARG 65 HH12 ARG 65 -0.046 10.243 -9.836 450 HH21 ARG 65 HH21 ARG 65 -2.567 8.488 -8.142 451 HH22 ARG 65 HH22 ARG 65 -2.025 10.047 -8.678 452 H LEU 66 H LEU 66 1.156 3.021 -5.224 453 HA LEU 66 HA LEU 66 3.682 2.336 -6.297 454 HB2 LEU 66 HB2 LEU 66 2.481 2.650 -3.629 455 HB3 LEU 66 HB3 LEU 66 3.888 1.616 -3.697 456 HG LEU 66 HG LEU 66 3.789 4.484 -4.650 457 HD11 LEU 66 HD11 LEU 66 5.003 3.294 -2.158 458 HD12 LEU 66 HD12 LEU 66 3.569 4.320 -2.227 459 HD13 LEU 66 HD13 LEU 66 5.144 4.974 -2.678 460 HD21 LEU 66 HD21 LEU 66 6.088 2.551 -4.367 461 HD22 LEU 66 HD22 LEU 66 6.240 4.265 -4.745 462 HD23 LEU 66 HD23 LEU 66 5.429 3.182 -5.875 463 H ILE 67 H ILE 67 1.181 0.339 -4.670 464 HA ILE 67 HA ILE 67 3.003 -1.921 -4.823 465 HB ILE 67 HB ILE 67 0.297 -1.659 -3.533 466 HG12 ILE 67 HG12 ILE 67 3.086 -1.963 -2.399 467 HG13 ILE 67 HG13 ILE 67 2.109 -0.499 -2.368 468 HG21 ILE 67 HG21 ILE 67 0.563 -3.935 -4.352 469 HG22 ILE 67 HG22 ILE 67 0.675 -3.892 -2.593 470 HG23 ILE 67 HG23 ILE 67 2.137 -4.049 -3.566 471 HD11 ILE 67 HD11 ILE 67 1.357 -3.073 -1.012 472 HD12 ILE 67 HD12 ILE 67 0.538 -1.516 -0.874 473 HD13 ILE 67 HD13 ILE 67 2.164 -1.720 -0.221 474 H GLY 68 H GLY 68 -0.451 -1.488 -5.755 475 HA2 GLY 68 HA2 GLY 68 0.022 -3.778 -7.555 476 HA3 GLY 68 HA3 GLY 68 -1.492 -3.494 -6.718 477 H GLY 69 H GLY 69 -2.260 -1.061 -7.251 478 HA2 GLY 69 HA2 GLY 69 -3.175 0.243 -8.961 479 HA3 GLY 69 HA3 GLY 69 -2.276 -0.706 -10.142 480 H ASN 70 H ASN 70 -3.215 -3.169 -8.720 481 HA ASN 70 HA ASN 70 -5.864 -3.388 -9.952 482 HB2 ASN 70 HB2 ASN 70 -5.487 -5.810 -9.900 483 HB3 ASN 70 HB3 ASN 70 -4.148 -5.004 -10.704 484 HD21 ASN 70 HD21 ASN 70 -4.361 -7.612 -9.351 485 HD22 ASN 70 HD22 ASN 70 -3.101 -7.621 -8.167 486 HA PRO 71 HA PRO 71 -7.997 -3.835 -6.115 487 HB2 PRO 71 HB2 PRO 71 -8.970 -6.546 -6.779 488 HB3 PRO 71 HB3 PRO 71 -9.884 -5.069 -6.463 489 HG2 PRO 71 HG2 PRO 71 -9.687 -6.055 -8.933 490 HG3 PRO 71 HG3 PRO 71 -9.664 -4.308 -8.640 491 HD2 PRO 71 HD2 PRO 71 -7.383 -6.165 -9.202 492 HD3 PRO 71 HD3 PRO 71 -7.687 -4.532 -9.833 493 H VAL 72 H VAL 72 -6.324 -3.984 -4.687 494 HA VAL 72 HA VAL 72 -6.022 -6.561 -3.347 495 HB VAL 72 HB VAL 72 -3.637 -4.782 -3.962 496 HG11 VAL 72 HG11 VAL 72 -2.306 -6.631 -3.044 497 HG12 VAL 72 HG12 VAL 72 -3.794 -7.486 -2.637 498 HG13 VAL 72 HG13 VAL 72 -3.414 -5.952 -1.852 499 HG21 VAL 72 HG21 VAL 72 -2.822 -6.573 -5.411 500 HG22 VAL 72 HG22 VAL 72 -4.355 -5.921 -5.994 501 HG23 VAL 72 HG23 VAL 72 -4.318 -7.468 -5.148 502 H ALA 73 H ALA 73 -5.274 -6.197 -1.068 503 HA ALA 73 HA ALA 73 -5.931 -3.458 -0.210 504 HB1 ALA 73 HB1 ALA 73 -7.634 -5.067 0.477 505 HB2 ALA 73 HB2 ALA 73 -6.782 -4.396 1.870 506 HB3 ALA 73 HB3 ALA 73 -6.400 -6.022 1.300 507 H PHE 74 H PHE 74 -4.452 -2.392 0.935 508 HA PHE 74 HA PHE 74 -2.162 -3.923 1.950 509 HB2 PHE 74 HB2 PHE 74 -0.932 -1.758 2.003 510 HB3 PHE 74 HB3 PHE 74 -1.426 -2.250 0.392 511 HD1 PHE 74 HD1 PHE 74 -3.471 -1.147 -0.615 512 HD2 PHE 74 HD2 PHE 74 -1.511 0.342 2.853 513 HE1 PHE 74 HE1 PHE 74 -4.495 1.053 -0.988 514 HE2 PHE 74 HE2 PHE 74 -2.536 2.554 2.483 515 HZ PHE 74 HZ PHE 74 -4.038 2.896 0.562 516 H ARG 75 H ARG 75 -1.832 -4.117 4.009 517 HA ARG 75 HA ARG 75 -3.731 -2.918 5.861 518 HB2 ARG 75 HB2 ARG 75 -3.249 -5.350 5.930 519 HB3 ARG 75 HB3 ARG 75 -1.573 -4.988 6.311 520 HG2 ARG 75 HG2 ARG 75 -2.579 -5.541 8.354 521 HG3 ARG 75 HG3 ARG 75 -2.448 -3.781 8.361 522 HD2 ARG 75 HD2 ARG 75 -4.630 -4.512 9.175 523 HD3 ARG 75 HD3 ARG 75 -4.779 -3.597 7.674 524 HE ARG 75 HE ARG 75 -4.624 -6.470 7.358 525 HH11 ARG 75 HH11 ARG 75 -6.710 -3.697 7.747 526 HH12 ARG 75 HH12 ARG 75 -8.086 -4.471 7.037 527 HH21 ARG 75 HH21 ARG 75 -6.429 -7.504 6.423 528 HH22 ARG 75 HH22 ARG 75 -7.933 -6.646 6.287 529 H LEU 76 H LEU 76 -3.190 -0.961 6.603 530 HA LEU 76 HA LEU 76 -0.391 -0.344 7.145 531 HB2 LEU 76 HB2 LEU 76 -2.864 1.372 7.411 532 HB3 LEU 76 HB3 LEU 76 -1.215 1.923 7.626 533 HG LEU 76 HG LEU 76 -2.378 0.885 5.040 534 HD11 LEU 76 HD11 LEU 76 -2.183 3.234 4.314 535 HD12 LEU 76 HD12 LEU 76 -1.751 3.684 5.963 536 HD13 LEU 76 HD13 LEU 76 -3.345 3.012 5.620 537 HD21 LEU 76 HD21 LEU 76 -0.297 1.725 4.042 538 HD22 LEU 76 HD22 LEU 76 0.010 0.442 5.213 539 HD23 LEU 76 HD23 LEU 76 0.306 2.125 5.651 540 H GLN 77 H GLN 77 0.205 -1.401 8.953 541 HA GLN 77 HA GLN 77 -1.559 -1.527 11.247 542 HB2 GLN 77 HB2 GLN 77 1.256 -2.539 10.823 543 HB3 GLN 77 HB3 GLN 77 0.303 -2.821 12.272 544 HG2 GLN 77 HG2 GLN 77 -1.348 -4.043 10.954 545 HG3 GLN 77 HG3 GLN 77 -0.396 -3.755 9.498 546 HE21 GLN 77 HE21 GLN 77 -0.158 -5.970 9.151 547 HE22 GLN 77 HE22 GLN 77 0.907 -6.937 10.107 548 HA PRO 78 HA PRO 78 -0.064 2.278 13.053 549 HB2 PRO 78 HB2 PRO 78 -1.026 0.993 15.546 550 HB3 PRO 78 HB3 PRO 78 -1.445 2.565 14.858 551 HG2 PRO 78 HG2 PRO 78 -3.161 0.527 14.766 552 HG3 PRO 78 HG3 PRO 78 -3.010 1.660 13.410 553 HD2 PRO 78 HD2 PRO 78 -1.944 -1.119 13.687 554 HD3 PRO 78 HD3 PRO 78 -2.632 -0.308 12.266 555 H GLN 79 H GLN 79 0.886 -0.917 13.930 556 HA GLN 79 HA GLN 79 2.923 -0.147 15.802 557 HB2 GLN 79 HB2 GLN 79 2.519 -2.744 14.307 558 HB3 GLN 79 HB3 GLN 79 3.648 -2.499 15.630 559 HG2 GLN 79 HG2 GLN 79 1.768 -1.990 17.120 560 HG3 GLN 79 HG3 GLN 79 0.653 -2.300 15.790 561 HE21 GLN 79 HE21 GLN 79 0.951 -3.626 18.387 562 HE22 GLN 79 HE22 GLN 79 1.208 -5.298 18.032 563 H GLY 80 H GLY 80 2.634 0.193 12.533 564 HA2 GLY 80 HA2 GLY 80 4.247 1.226 11.184 565 HA3 GLY 80 HA3 GLY 80 5.496 0.679 12.290 566 H GLN 81 H GLN 81 2.976 -1.190 10.620 567 HA GLN 81 HA GLN 81 5.092 -2.497 9.058 568 HB2 GLN 81 HB2 GLN 81 2.908 -3.881 10.616 569 HB3 GLN 81 HB3 GLN 81 3.835 -4.668 9.349 570 HG2 GLN 81 HG2 GLN 81 5.897 -4.204 10.633 571 HG3 GLN 81 HG3 GLN 81 4.897 -3.551 11.932 572 HE21 GLN 81 HE21 GLN 81 5.601 -5.104 13.388 573 HE22 GLN 81 HE22 GLN 81 5.095 -6.756 13.296 574 H ILE 82 H ILE 82 4.593 -2.986 6.992 575 HA ILE 82 HA ILE 82 1.825 -2.473 6.098 576 HB ILE 82 HB ILE 82 4.316 -2.168 4.404 577 HG12 ILE 82 HG12 ILE 82 2.633 -0.000 5.684 578 HG13 ILE 82 HG13 ILE 82 4.249 -0.468 6.205 579 HG21 ILE 82 HG21 ILE 82 1.431 -1.413 3.926 580 HG22 ILE 82 HG22 ILE 82 2.340 -2.685 3.110 581 HG23 ILE 82 HG23 ILE 82 2.773 -0.993 2.860 582 HD11 ILE 82 HD11 ILE 82 3.516 0.715 3.535 583 HD12 ILE 82 HD12 ILE 82 5.135 0.223 4.030 584 HD13 ILE 82 HD13 ILE 82 4.324 1.545 4.865 585 H VAL 83 H VAL 83 0.850 -4.320 5.610 586 HA VAL 83 HA VAL 83 2.341 -6.362 4.103 587 HB VAL 83 HB VAL 83 1.076 -8.147 5.254 588 HG11 VAL 83 HG11 VAL 83 3.309 -7.608 6.030 589 HG12 VAL 83 HG12 VAL 83 2.281 -8.083 7.383 590 HG13 VAL 83 HG13 VAL 83 2.655 -6.381 7.113 591 HG21 VAL 83 HG21 VAL 83 0.136 -5.935 7.067 592 HG22 VAL 83 HG22 VAL 83 -0.097 -7.659 7.351 593 HG23 VAL 83 HG23 VAL 83 -0.866 -6.882 5.966 594 H LEU 84 H LEU 84 0.778 -7.876 2.941 595 HA LEU 84 HA LEU 84 -1.390 -6.219 1.858 596 HB2 LEU 84 HB2 LEU 84 0.366 -8.311 0.662 597 HB3 LEU 84 HB3 LEU 84 -1.235 -8.071 -0.007 598 HG LEU 84 HG LEU 84 -0.674 -5.688 -0.416 599 HD11 LEU 84 HD11 LEU 84 2.089 -6.529 0.454 600 HD12 LEU 84 HD12 LEU 84 1.042 -5.367 1.269 601 HD13 LEU 84 HD13 LEU 84 1.685 -5.004 -0.332 602 HD21 LEU 84 HD21 LEU 84 1.194 -7.702 -1.661 603 HD22 LEU 84 HD22 LEU 84 0.801 -6.114 -2.320 604 HD23 LEU 84 HD23 LEU 84 -0.452 -7.346 -2.184 605 H SER 85 H SER 85 -3.437 -6.895 1.775 606 HA SER 85 HA SER 85 -4.056 -9.580 2.810 607 HB2 SER 85 HB2 SER 85 -5.577 -7.022 3.391 608 HB3 SER 85 HB3 SER 85 -5.985 -8.629 3.987 609 HG SER 85 HG SER 85 -3.568 -8.375 4.752 610 H ARG 86 H ARG 86 -6.007 -10.522 1.956 611 HA ARG 86 HA ARG 86 -6.673 -9.438 -0.672 612 HB2 ARG 86 HB2 ARG 86 -7.540 -11.737 -1.126 613 HB3 ARG 86 HB3 ARG 86 -5.822 -11.659 -0.787 614 HG2 ARG 86 HG2 ARG 86 -6.161 -12.512 1.428 615 HG3 ARG 86 HG3 ARG 86 -7.913 -12.445 1.226 616 HD2 ARG 86 HD2 ARG 86 -6.045 -14.134 -0.431 617 HD3 ARG 86 HD3 ARG 86 -6.977 -14.722 0.944 618 HE ARG 86 HE ARG 86 -8.987 -13.973 -0.411 619 HH11 ARG 86 HH11 ARG 86 -5.998 -15.044 -1.907 620 HH12 ARG 86 HH12 ARG 86 -6.782 -15.647 -3.330 621 HH21 ARG 86 HH21 ARG 86 -10.013 -14.758 -2.290 622 HH22 ARG 86 HH22 ARG 86 -9.064 -15.481 -3.550 623 H LEU 87 H LEU 87 -8.135 -7.861 0.161 624 HA LEU 87 HA LEU 87 -10.616 -8.869 1.310 625 HB2 LEU 87 HB2 LEU 87 -9.516 -6.121 0.811 626 HB3 LEU 87 HB3 LEU 87 -11.236 -6.335 1.069 627 HG LEU 87 HG LEU 87 -10.165 -5.665 3.131 628 HD11 LEU 87 HD11 LEU 87 -10.934 -7.428 4.600 629 HD12 LEU 87 HD12 LEU 87 -10.947 -8.571 3.258 630 HD13 LEU 87 HD13 LEU 87 -12.063 -7.206 3.263 631 HD21 LEU 87 HD21 LEU 87 -8.473 -8.142 2.845 632 HD22 LEU 87 HD22 LEU 87 -8.514 -7.077 4.250 633 HD23 LEU 87 HD23 LEU 87 -7.914 -6.477 2.704 634 HA PRO 88 HA PRO 88 -12.765 -9.047 -2.583 635 HB2 PRO 88 HB2 PRO 88 -15.185 -8.061 -1.233 636 HB3 PRO 88 HB3 PRO 88 -14.880 -9.635 -1.972 637 HG2 PRO 88 HG2 PRO 88 -15.073 -9.337 0.687 638 HG3 PRO 88 HG3 PRO 88 -13.960 -10.507 -0.045 639 HD2 PRO 88 HD2 PRO 88 -13.382 -7.785 1.072 640 HD3 PRO 88 HD3 PRO 88 -12.474 -9.301 1.269 641 H THR 89 H THR 89 -15.131 -7.381 -3.079 642 HA THR 89 HA THR 89 -14.043 -5.086 -4.222 643 HB THR 89 HB THR 89 -16.887 -5.506 -3.270 644 HG1 THR 89 HG1 THR 89 -15.475 -6.221 -5.625 645 HG21 THR 89 HG21 THR 89 -16.401 -3.152 -3.766 646 HG22 THR 89 HG22 THR 89 -17.482 -3.847 -4.974 647 HG23 THR 89 HG23 THR 89 -15.774 -3.614 -5.347 648 H ALA 90 H ALA 90 -13.034 -3.494 -3.202 649 HA ALA 90 HA ALA 90 -13.707 -2.915 -0.424 650 HB1 ALA 90 HB1 ALA 90 -11.592 -1.709 -0.355 651 HB2 ALA 90 HB2 ALA 90 -11.372 -1.978 -2.084 652 HB3 ALA 90 HB3 ALA 90 -11.362 -3.345 -0.971 653 H ASN 91 H ASN 91 -13.161 -0.401 0.026 654 HA ASN 91 HA ASN 91 -15.391 1.000 -0.943 655 HB2 ASN 91 HB2 ASN 91 -14.296 1.508 1.203 656 HB3 ASN 91 HB3 ASN 91 -12.876 2.091 0.342 657 HD21 ASN 91 HD21 ASN 91 -12.933 4.086 -0.653 658 HD22 ASN 91 HD22 ASN 91 -14.202 5.230 -0.376 659 H GLY 92 H GLY 92 -12.082 0.825 -2.056 660 HA2 GLY 92 HA2 GLY 92 -12.514 3.020 -3.937 661 HA3 GLY 92 HA3 GLY 92 -10.975 2.258 -3.575 662 H ASP 93 H ASP 93 -13.611 0.130 -4.146 663 HA ASP 93 HA ASP 93 -12.456 -0.621 -6.722 664 HB2 ASP 93 HB2 ASP 93 -14.321 -1.944 -4.797 665 HB3 ASP 93 HB3 ASP 93 -14.376 -2.425 -6.486 666 H GLY 94 H GLY 94 -14.179 1.812 -6.116 667 HA2 GLY 94 HA2 GLY 94 -15.433 3.016 -7.717 668 HA3 GLY 94 HA3 GLY 94 -15.917 1.493 -8.449 669 H GLY 95 H GLY 95 -16.549 0.433 -5.700 670 HA2 GLY 95 HA2 GLY 95 -19.124 1.842 -5.387 671 HA3 GLY 95 HA3 GLY 95 -18.939 0.102 -5.209 672 H ALA 96 H ALA 96 -19.764 2.447 -3.399 673 HA ALA 96 HA ALA 96 -17.835 2.398 -1.274 674 HB1 ALA 96 HB1 ALA 96 -19.218 4.364 -1.620 675 HB2 ALA 96 HB2 ALA 96 -19.520 3.681 -0.023 676 HB3 ALA 96 HB3 ALA 96 -20.676 3.416 -1.328 677 H LEU 97 H LEU 97 -17.709 0.055 -1.068 678 HA LEU 97 HA LEU 97 -19.945 -1.071 0.479 679 HB2 LEU 97 HB2 LEU 97 -17.690 -2.455 -0.975 680 HB3 LEU 97 HB3 LEU 97 -18.876 -3.279 0.021 681 HG LEU 97 HG LEU 97 -19.404 -1.793 -2.554 682 HD11 LEU 97 HD11 LEU 97 -20.081 -3.993 -3.371 683 HD12 LEU 97 HD12 LEU 97 -19.642 -4.708 -1.820 684 HD13 LEU 97 HD13 LEU 97 -18.398 -3.992 -2.844 685 HD21 LEU 97 HD21 LEU 97 -21.329 -3.131 -0.656 686 HD22 LEU 97 HD22 LEU 97 -21.729 -2.573 -2.279 687 HD23 LEU 97 HD23 LEU 97 -21.250 -1.412 -1.043 688 H ALA 98 H ALA 98 -18.012 0.779 1.524 689 HA ALA 98 HA ALA 98 -15.957 -0.474 2.975 690 HB1 ALA 98 HB1 ALA 98 -17.401 2.095 3.609 691 HB2 ALA 98 HB2 ALA 98 -16.019 1.935 2.527 692 HB3 ALA 98 HB3 ALA 98 -15.835 1.596 4.248 693 H LEU 99 H LEU 99 -19.265 0.400 3.876 694 HA LEU 99 HA LEU 99 -18.925 -0.946 6.432 695 HB2 LEU 99 HB2 LEU 99 -21.293 0.603 5.400 696 HB3 LEU 99 HB3 LEU 99 -21.063 0.030 7.039 697 HG LEU 99 HG LEU 99 -19.417 2.145 5.655 698 HD11 LEU 99 HD11 LEU 99 -20.419 3.659 7.275 699 HD12 LEU 99 HD12 LEU 99 -21.382 2.336 7.930 700 HD13 LEU 99 HD13 LEU 99 -21.655 2.893 6.279 701 HD21 LEU 99 HD21 LEU 99 -19.232 1.035 8.451 702 HD22 LEU 99 HD22 LEU 99 -18.359 2.445 7.853 703 HD23 LEU 99 HD23 LEU 99 -18.035 0.852 7.168 704 H ASP 100 H ASP 100 -19.628 -1.852 3.423 705 HA ASP 100 HA ASP 100 -21.813 -3.668 4.125 706 HB2 ASP 100 HB2 ASP 100 -22.110 -2.438 2.051 707 HB3 ASP 100 HB3 ASP 100 -20.556 -3.009 1.455 708 H SER 101 H SER 101 -18.878 -4.003 2.126 709 HA SER 101 HA SER 101 -18.735 -6.798 2.937 710 HB2 SER 101 HB2 SER 101 -17.104 -5.292 0.877 711 HB3 SER 101 HB3 SER 101 -17.147 -7.040 1.102 712 HG SER 101 HG SER 101 -19.620 -5.846 0.744 713 H LEU 102 H LEU 102 -17.093 -3.784 3.399 714 HA LEU 102 HA LEU 102 -14.815 -5.102 4.664 715 HB2 LEU 102 HB2 LEU 102 -15.309 -2.189 4.057 716 HB3 LEU 102 HB3 LEU 102 -13.853 -2.828 4.787 717 HG LEU 102 HG LEU 102 -14.836 -3.408 1.992 718 HD11 LEU 102 HD11 LEU 102 -13.938 -1.171 2.228 719 HD12 LEU 102 HD12 LEU 102 -12.809 -2.184 1.329 720 HD13 LEU 102 HD13 LEU 102 -12.498 -1.810 3.022 721 HD21 LEU 102 HD21 LEU 102 -12.361 -4.359 3.432 722 HD22 LEU 102 HD22 LEU 102 -12.692 -4.585 1.715 723 HD23 LEU 102 HD23 LEU 102 -13.722 -5.358 2.921 724 H THR 103 H THR 103 -17.753 -4.547 5.680 725 HA THR 103 HA THR 103 -17.529 -2.915 7.964 726 HB THR 103 HB THR 103 -19.704 -3.565 6.997 727 HG1 THR 103 HG1 THR 103 -19.062 -3.864 9.694 728 HG21 THR 103 HG21 THR 103 -20.653 -5.774 7.496 729 HG22 THR 103 HG22 THR 103 -19.110 -6.276 8.189 730 HG23 THR 103 HG23 THR 103 -19.224 -5.900 6.471 731 H VAL 104 H VAL 104 -16.394 -6.076 7.337 732 HA VAL 104 HA VAL 104 -16.260 -7.019 10.021 733 HB VAL 104 HB VAL 104 -14.653 -8.680 9.154 734 HG11 VAL 104 HG11 VAL 104 -17.073 -8.283 7.398 735 HG12 VAL 104 HG12 VAL 104 -17.033 -9.123 8.947 736 HG13 VAL 104 HG13 VAL 104 -16.162 -9.783 7.563 737 HG21 VAL 104 HG21 VAL 104 -13.464 -7.280 7.552 738 HG22 VAL 104 HG22 VAL 104 -14.910 -7.178 6.547 739 HG23 VAL 104 HG23 VAL 104 -14.095 -8.727 6.765 740 H LEU 105 H LEU 105 -14.304 -7.248 11.283 741 HA LEU 105 HA LEU 105 -12.761 -4.825 11.281 742 HB2 LEU 105 HB2 LEU 105 -12.790 -7.256 13.047 743 HB3 LEU 105 HB3 LEU 105 -11.558 -6.025 13.220 744 HG LEU 105 HG LEU 105 -13.253 -5.622 14.857 745 HD11 LEU 105 HD11 LEU 105 -12.280 -3.655 13.761 746 HD12 LEU 105 HD12 LEU 105 -13.923 -3.367 14.331 747 HD13 LEU 105 HD13 LEU 105 -13.622 -3.646 12.617 748 HD21 LEU 105 HD21 LEU 105 -15.591 -5.205 14.265 749 HD22 LEU 105 HD22 LEU 105 -15.089 -6.842 13.846 750 HD23 LEU 105 HD23 LEU 105 -15.235 -5.616 12.588 751 H GLY 106 H GLY 106 -12.205 -5.738 8.964 752 HA2 GLY 106 HA2 GLY 106 -9.374 -6.378 9.127 753 HA3 GLY 106 HA3 GLY 106 -10.373 -7.526 8.239 754 H ALA 107 H ALA 107 -11.256 -4.204 8.297 755 HA ALA 107 HA ALA 107 -11.151 -4.064 5.434 756 HB1 ALA 107 HB1 ALA 107 -11.815 -1.927 7.453 757 HB2 ALA 107 HB2 ALA 107 -12.971 -3.029 6.705 758 HB3 ALA 107 HB3 ALA 107 -12.114 -1.844 5.718 759 H GLY 108 H GLY 108 -9.562 -3.297 4.218 760 HA2 GLY 108 HA2 GLY 108 -7.565 -1.529 5.471 761 HA3 GLY 108 HA3 GLY 108 -7.075 -2.879 4.453 762 H GLY 109 H GLY 109 -6.129 -0.555 3.665 763 HA2 GLY 109 HA2 GLY 109 -7.889 0.835 1.872 764 HA3 GLY 109 HA3 GLY 109 -6.145 1.035 1.987 765 H ASN 110 H ASN 110 -7.990 0.695 -0.356 766 HA ASN 110 HA ASN 110 -7.107 -1.852 -1.459 767 HB2 ASN 110 HB2 ASN 110 -8.605 -1.389 -3.293 768 HB3 ASN 110 HB3 ASN 110 -9.450 -1.030 -1.793 769 HD21 ASN 110 HD21 ASN 110 -8.307 0.182 -4.762 770 HD22 ASN 110 HD22 ASN 110 -8.829 1.820 -4.572 771 H ASN 111 H ASN 111 -5.639 -2.066 -3.120 772 HA ASN 111 HA ASN 111 -3.850 0.183 -3.457 773 HB2 ASN 111 HB2 ASN 111 -3.655 -2.660 -4.462 774 HB3 ASN 111 HB3 ASN 111 -2.408 -1.438 -4.693 775 HD21 ASN 111 HD21 ASN 111 -1.246 -0.696 -2.927 776 HD22 ASN 111 HD22 ASN 111 -1.163 -1.609 -1.466 777 H ALA 112 H ALA 112 -6.150 0.900 -4.646 778 HA ALA 112 HA ALA 112 -5.382 0.943 -7.466 779 HB1 ALA 112 HB1 ALA 112 -7.641 0.496 -8.228 780 HB2 ALA 112 HB2 ALA 112 -8.189 0.304 -6.564 781 HB3 ALA 112 HB3 ALA 112 -7.051 -0.851 -7.256 Start of MODEL 6 1 H1 SER 6 H1 SER 6 -4.617 7.961 15.368 2 H2 SER 6 H2 SER 6 -3.681 6.610 14.977 3 H3 SER 6 H3 SER 6 -5.191 6.831 14.250 4 HA SER 6 HA SER 6 -2.849 8.601 13.912 5 HB2 SER 6 HB2 SER 6 -2.647 6.338 12.832 6 HB3 SER 6 HB3 SER 6 -4.102 6.702 11.907 7 HG SER 6 HG SER 6 -1.720 7.237 11.155 8 H MET 7 H MET 7 -3.268 9.888 11.786 9 HA MET 7 HA MET 7 -6.047 10.869 11.807 10 HB2 MET 7 HB2 MET 7 -4.435 12.326 13.101 11 HB3 MET 7 HB3 MET 7 -3.590 12.618 11.590 12 HG2 MET 7 HG2 MET 7 -5.699 13.550 10.665 13 HG3 MET 7 HG3 MET 7 -6.418 13.384 12.266 14 HE1 MET 7 HE1 MET 7 -4.065 15.770 14.368 15 HE2 MET 7 HE2 MET 7 -3.718 14.077 14.023 16 HE3 MET 7 HE3 MET 7 -5.356 14.573 14.444 17 H ALA 8 H ALA 8 -6.062 9.337 9.942 18 HA ALA 8 HA ALA 8 -4.486 10.104 7.626 19 HB1 ALA 8 HB1 ALA 8 -4.714 7.738 8.178 20 HB2 ALA 8 HB2 ALA 8 -5.404 8.089 6.593 21 HB3 ALA 8 HB3 ALA 8 -6.463 7.856 7.983 22 H GLN 9 H GLN 9 -7.674 10.538 8.854 23 HA GLN 9 HA GLN 9 -8.899 11.004 6.285 24 HB2 GLN 9 HB2 GLN 9 -9.956 11.475 9.074 25 HB3 GLN 9 HB3 GLN 9 -10.900 11.608 7.601 26 HG2 GLN 9 HG2 GLN 9 -9.626 9.120 8.706 27 HG3 GLN 9 HG3 GLN 9 -11.347 9.504 8.665 28 HE21 GLN 9 HE21 GLN 9 -12.431 9.467 6.676 29 HE22 GLN 9 HE22 GLN 9 -11.790 8.626 5.309 30 H ALA 10 H ALA 10 -6.674 12.732 7.636 31 HA ALA 10 HA ALA 10 -7.971 15.347 7.412 32 HB1 ALA 10 HB1 ALA 10 -5.932 16.252 8.403 33 HB2 ALA 10 HB2 ALA 10 -5.205 14.644 8.390 34 HB3 ALA 10 HB3 ALA 10 -6.612 14.969 9.403 35 H ALA 11 H ALA 11 -7.177 13.447 5.189 36 HA ALA 11 HA ALA 11 -6.363 13.524 3.079 37 HB1 ALA 11 HB1 ALA 11 -6.309 15.695 1.961 38 HB2 ALA 11 HB2 ALA 11 -6.430 16.507 3.521 39 HB3 ALA 11 HB3 ALA 11 -7.767 15.515 2.938 40 H GLN 12 H GLN 12 -4.464 12.819 4.763 41 HA GLN 12 HA GLN 12 -2.151 14.448 4.819 42 HB2 GLN 12 HB2 GLN 12 -2.434 12.644 6.416 43 HB3 GLN 12 HB3 GLN 12 -2.481 11.457 5.121 44 HG2 GLN 12 HG2 GLN 12 -0.340 11.399 6.222 45 HG3 GLN 12 HG3 GLN 12 -0.149 11.981 4.570 46 HE21 GLN 12 HE21 GLN 12 0.426 14.128 4.219 47 HE22 GLN 12 HE22 GLN 12 1.041 15.137 5.479 48 H GLN 13 H GLN 13 -1.232 15.137 2.984 49 HA GLN 13 HA GLN 13 -0.597 13.102 0.951 50 HB2 GLN 13 HB2 GLN 13 -1.139 16.042 0.490 51 HB3 GLN 13 HB3 GLN 13 -0.660 14.886 -0.745 52 HG2 GLN 13 HG2 GLN 13 -2.751 13.593 -0.156 53 HG3 GLN 13 HG3 GLN 13 -3.238 15.002 0.786 54 HE21 GLN 13 HE21 GLN 13 -4.491 13.812 -1.539 55 HE22 GLN 13 HE22 GLN 13 -4.570 15.058 -2.738 56 H LYS 14 H LYS 14 1.468 12.931 0.326 57 HA LYS 14 HA LYS 14 3.386 14.949 1.267 58 HB2 LYS 14 HB2 LYS 14 3.521 11.963 1.642 59 HB3 LYS 14 HB3 LYS 14 4.961 12.968 1.691 60 HG2 LYS 14 HG2 LYS 14 2.573 13.281 3.500 61 HG3 LYS 14 HG3 LYS 14 4.072 12.450 3.923 62 HD2 LYS 14 HD2 LYS 14 5.288 14.586 3.446 63 HD3 LYS 14 HD3 LYS 14 3.719 15.372 3.261 64 HE2 LYS 14 HE2 LYS 14 3.144 14.736 5.559 65 HE3 LYS 14 HE3 LYS 14 4.725 13.977 5.736 66 HZ1 LYS 14 HZ1 LYS 14 4.181 16.859 5.299 67 HZ2 LYS 14 HZ2 LYS 14 5.725 16.172 5.286 68 HZ3 LYS 14 HZ3 LYS 14 4.803 16.142 6.699 69 H ASN 15 H ASN 15 5.393 14.959 0.110 70 HA ASN 15 HA ASN 15 5.079 14.310 -2.693 71 HB2 ASN 15 HB2 ASN 15 6.082 16.450 -2.159 72 HB3 ASN 15 HB3 ASN 15 7.304 15.674 -1.158 73 HD21 ASN 15 HD21 ASN 15 6.271 16.380 -4.386 74 HD22 ASN 15 HD22 ASN 15 7.725 15.883 -5.179 75 H PHE 16 H PHE 16 5.551 12.351 -3.405 76 HA PHE 16 HA PHE 16 7.451 10.717 -1.885 77 HB2 PHE 16 HB2 PHE 16 5.542 9.853 -4.066 78 HB3 PHE 16 HB3 PHE 16 6.472 8.801 -3.006 79 HD1 PHE 16 HD1 PHE 16 6.056 9.933 -0.375 80 HD2 PHE 16 HD2 PHE 16 3.320 9.508 -3.608 81 HE1 PHE 16 HE1 PHE 16 4.182 9.879 1.218 82 HE2 PHE 16 HE2 PHE 16 1.444 9.458 -2.020 83 HZ PHE 16 HZ PHE 16 1.873 9.644 0.398 84 H ASN 17 H ASN 17 9.328 10.049 -2.695 85 HA ASN 17 HA ASN 17 9.876 10.456 -5.563 86 HB2 ASN 17 HB2 ASN 17 11.783 10.935 -3.250 87 HB3 ASN 17 HB3 ASN 17 12.239 10.966 -4.945 88 HD21 ASN 17 HD21 ASN 17 9.875 12.355 -5.850 89 HD22 ASN 17 HD22 ASN 17 10.016 13.987 -5.288 90 H ILE 18 H ILE 18 9.426 8.251 -5.970 91 HA ILE 18 HA ILE 18 11.293 6.371 -4.666 92 HB ILE 18 HB ILE 18 8.627 5.563 -5.816 93 HG12 ILE 18 HG12 ILE 18 8.249 7.164 -3.955 94 HG13 ILE 18 HG13 ILE 18 7.688 5.539 -3.577 95 HG21 ILE 18 HG21 ILE 18 10.196 3.765 -5.621 96 HG22 ILE 18 HG22 ILE 18 8.997 3.588 -4.341 97 HG23 ILE 18 HG23 ILE 18 10.596 4.227 -3.968 98 HD11 ILE 18 HD11 ILE 18 9.766 5.177 -2.285 99 HD12 ILE 18 HD12 ILE 18 8.762 6.484 -1.658 100 HD13 ILE 18 HD13 ILE 18 10.207 6.857 -2.596 101 H ALA 19 H ALA 19 12.881 6.128 -6.151 102 HA ALA 19 HA ALA 19 12.374 5.649 -8.937 103 HB1 ALA 19 HB1 ALA 19 14.540 6.503 -8.171 104 HB2 ALA 19 HB2 ALA 19 14.735 4.965 -9.013 105 HB3 ALA 19 HB3 ALA 19 14.806 5.023 -7.252 106 H ALA 20 H ALA 20 12.913 3.464 -9.947 107 HA ALA 20 HA ALA 20 11.239 1.538 -8.681 108 HB1 ALA 20 HB1 ALA 20 11.771 0.105 -10.583 109 HB2 ALA 20 HB2 ALA 20 13.060 1.209 -11.064 110 HB3 ALA 20 HB3 ALA 20 11.379 1.741 -11.114 111 H GLN 21 H GLN 21 11.958 0.750 -6.836 112 HA GLN 21 HA GLN 21 14.618 -0.486 -6.713 113 HB2 GLN 21 HB2 GLN 21 12.717 0.225 -4.466 114 HB3 GLN 21 HB3 GLN 21 14.357 -0.384 -4.283 115 HG2 GLN 21 HG2 GLN 21 15.201 1.642 -5.401 116 HG3 GLN 21 HG3 GLN 21 13.552 2.253 -5.488 117 HE21 GLN 21 HE21 GLN 21 13.964 4.035 -4.240 118 HE22 GLN 21 HE22 GLN 21 14.271 3.941 -2.544 119 HA PRO 22 HA PRO 22 12.625 -4.547 -5.988 120 HB2 PRO 22 HB2 PRO 22 14.128 -4.842 -3.470 121 HB3 PRO 22 HB3 PRO 22 14.148 -5.862 -4.910 122 HG2 PRO 22 HG2 PRO 22 16.231 -4.295 -4.261 123 HG3 PRO 22 HG3 PRO 22 15.774 -4.594 -5.949 124 HD2 PRO 22 HD2 PRO 22 15.244 -2.198 -4.237 125 HD3 PRO 22 HD3 PRO 22 15.707 -2.278 -5.950 126 H LEU 23 H LEU 23 10.893 -5.312 -4.692 127 HA LEU 23 HA LEU 23 9.316 -3.256 -3.753 128 HB2 LEU 23 HB2 LEU 23 8.903 -5.879 -4.338 129 HB3 LEU 23 HB3 LEU 23 8.644 -5.864 -2.606 130 HG LEU 23 HG LEU 23 7.216 -4.124 -4.602 131 HD11 LEU 23 HD11 LEU 23 5.256 -5.474 -4.070 132 HD12 LEU 23 HD12 LEU 23 6.231 -6.481 -3.001 133 HD13 LEU 23 HD13 LEU 23 6.548 -6.471 -4.735 134 HD21 LEU 23 HD21 LEU 23 5.791 -3.457 -2.738 135 HD22 LEU 23 HD22 LEU 23 7.472 -3.003 -2.452 136 HD23 LEU 23 HD23 LEU 23 6.786 -4.409 -1.633 137 H GLN 24 H GLN 24 11.144 -5.601 -1.749 138 HA GLN 24 HA GLN 24 10.293 -4.661 0.737 139 HB2 GLN 24 HB2 GLN 24 13.002 -5.746 -0.047 140 HB3 GLN 24 HB3 GLN 24 12.505 -5.453 1.611 141 HG2 GLN 24 HG2 GLN 24 10.614 -7.049 1.220 142 HG3 GLN 24 HG3 GLN 24 11.367 -7.445 -0.325 143 HE21 GLN 24 HE21 GLN 24 13.354 -8.529 -0.341 144 HE22 GLN 24 HE22 GLN 24 13.927 -9.388 1.048 145 H SER 25 H SER 25 13.353 -3.771 -0.879 146 HA SER 25 HA SER 25 14.028 -1.689 0.829 147 HB2 SER 25 HB2 SER 25 14.723 -2.066 -2.089 148 HB3 SER 25 HB3 SER 25 15.517 -0.919 -1.007 149 HG SER 25 HG SER 25 16.521 -2.510 -0.012 150 H ALA 26 H ALA 26 11.890 -1.705 -1.954 151 HA ALA 26 HA ALA 26 11.660 1.024 -2.457 152 HB1 ALA 26 HB1 ALA 26 10.637 -0.732 -3.840 153 HB2 ALA 26 HB2 ALA 26 9.453 0.487 -3.366 154 HB3 ALA 26 HB3 ALA 26 9.487 -1.078 -2.543 155 H MET 27 H MET 27 9.717 -1.009 -0.303 156 HA MET 27 HA MET 27 8.322 1.268 0.762 157 HB2 MET 27 HB2 MET 27 8.322 -1.571 1.762 158 HB3 MET 27 HB3 MET 27 7.148 -0.320 2.146 159 HG2 MET 27 HG2 MET 27 7.604 -1.600 -0.535 160 HG3 MET 27 HG3 MET 27 6.233 -1.860 0.541 161 HE1 MET 27 HE1 MET 27 4.587 -1.329 -1.549 162 HE2 MET 27 HE2 MET 27 6.053 -1.151 -2.513 163 HE3 MET 27 HE3 MET 27 4.802 0.094 -2.571 164 H LEU 28 H LEU 28 11.147 -0.577 1.606 165 HA LEU 28 HA LEU 28 11.295 0.240 4.307 166 HB2 LEU 28 HB2 LEU 28 13.595 -0.323 2.428 167 HB3 LEU 28 HB3 LEU 28 13.688 -0.234 4.176 168 HG LEU 28 HG LEU 28 12.212 -2.327 2.583 169 HD11 LEU 28 HD11 LEU 28 14.636 -2.589 2.537 170 HD12 LEU 28 HD12 LEU 28 13.873 -3.856 3.497 171 HD13 LEU 28 HD13 LEU 28 14.682 -2.511 4.298 172 HD21 LEU 28 HD21 LEU 28 12.499 -1.976 5.560 173 HD22 LEU 28 HD22 LEU 28 11.838 -3.403 4.764 174 HD23 LEU 28 HD23 LEU 28 11.010 -1.853 4.623 175 H ARG 29 H ARG 29 12.112 1.781 1.282 176 HA ARG 29 HA ARG 29 13.359 4.066 2.548 177 HB2 ARG 29 HB2 ARG 29 12.592 3.492 -0.317 178 HB3 ARG 29 HB3 ARG 29 13.376 4.977 0.206 179 HG2 ARG 29 HG2 ARG 29 14.543 2.239 0.628 180 HG3 ARG 29 HG3 ARG 29 14.909 3.269 -0.760 181 HD2 ARG 29 HD2 ARG 29 15.342 4.022 2.131 182 HD3 ARG 29 HD3 ARG 29 16.596 3.441 1.041 183 HE ARG 29 HE ARG 29 16.010 5.475 -0.343 184 HH11 ARG 29 HH11 ARG 29 15.573 5.418 3.145 185 HH12 ARG 29 HH12 ARG 29 15.808 7.130 3.313 186 HH21 ARG 29 HH21 ARG 29 16.311 7.712 -0.110 187 HH22 ARG 29 HH22 ARG 29 16.213 8.438 1.465 188 H PHE 30 H PHE 30 10.303 3.332 0.928 189 HA PHE 30 HA PHE 30 9.288 5.984 1.116 190 HB2 PHE 30 HB2 PHE 30 8.323 4.623 -0.561 191 HB3 PHE 30 HB3 PHE 30 8.011 3.311 0.569 192 HD1 PHE 30 HD2 PHE 30 7.148 6.941 0.320 193 HD2 PHE 30 HD1 PHE 30 5.811 2.973 1.065 194 HE1 PHE 30 HE2 PHE 30 4.871 7.781 0.675 195 HE2 PHE 30 HE1 PHE 30 3.530 3.814 1.437 196 HZ PHE 30 HZ PHE 30 3.057 6.220 1.236 197 H ALA 31 H ALA 31 8.563 3.016 2.942 198 HA ALA 31 HA ALA 31 6.651 4.321 4.573 199 HB1 ALA 31 HB1 ALA 31 7.999 1.669 5.029 200 HB2 ALA 31 HB2 ALA 31 6.544 1.928 4.068 201 HB3 ALA 31 HB3 ALA 31 6.521 2.241 5.803 202 H GLU 32 H GLU 32 10.126 3.842 4.885 203 HA GLU 32 HA GLU 32 10.263 4.287 7.674 204 HB2 GLU 32 HB2 GLU 32 12.591 4.772 7.409 205 HB3 GLU 32 HB3 GLU 32 12.185 3.476 6.296 206 HG2 GLU 32 HG2 GLU 32 12.256 4.942 4.432 207 HG3 GLU 32 HG3 GLU 32 12.346 6.361 5.475 208 H GLN 33 H GLN 33 9.871 6.434 4.970 209 HA GLN 33 HA GLN 33 10.330 8.838 6.480 210 HB2 GLN 33 HB2 GLN 33 9.058 8.402 3.771 211 HB3 GLN 33 HB3 GLN 33 9.448 9.973 4.455 212 HG2 GLN 33 HG2 GLN 33 11.433 7.802 3.815 213 HG3 GLN 33 HG3 GLN 33 11.116 9.229 2.830 214 HE21 GLN 33 HE21 GLN 33 11.795 11.243 3.559 215 HE22 GLN 33 HE22 GLN 33 12.979 11.417 4.810 216 H ALA 34 H ALA 34 7.777 6.652 6.051 217 HA ALA 34 HA ALA 34 5.771 8.598 6.951 218 HB1 ALA 34 HB1 ALA 34 5.336 5.816 5.869 219 HB2 ALA 34 HB2 ALA 34 5.290 7.287 4.899 220 HB3 ALA 34 HB3 ALA 34 4.102 7.037 6.181 221 H GLY 35 H GLY 35 7.917 6.632 8.340 222 HA2 GLY 35 HA2 GLY 35 8.106 5.913 10.526 223 HA3 GLY 35 HA3 GLY 35 6.479 6.505 10.816 224 H MET 36 H MET 36 7.343 4.177 8.340 225 HA MET 36 HA MET 36 6.098 2.012 9.874 226 HB2 MET 36 HB2 MET 36 5.241 2.866 7.102 227 HB3 MET 36 HB3 MET 36 4.723 1.390 7.898 228 HG2 MET 36 HG2 MET 36 3.674 2.752 9.662 229 HG3 MET 36 HG3 MET 36 4.140 4.205 8.784 230 HE1 MET 36 HE1 MET 36 2.998 0.885 6.992 231 HE2 MET 36 HE2 MET 36 1.244 1.041 7.119 232 HE3 MET 36 HE3 MET 36 2.219 0.848 8.576 233 H GLN 37 H GLN 37 6.254 -0.097 8.512 234 HA GLN 37 HA GLN 37 8.424 -0.083 6.559 235 HB2 GLN 37 HB2 GLN 37 9.405 -0.572 8.837 236 HB3 GLN 37 HB3 GLN 37 8.407 -2.018 8.884 237 HG2 GLN 37 HG2 GLN 37 9.526 -2.829 6.852 238 HG3 GLN 37 HG3 GLN 37 10.564 -1.403 6.872 239 HE21 GLN 37 HE21 GLN 37 9.844 -4.448 8.351 240 HE22 GLN 37 HE22 GLN 37 11.271 -4.547 9.321 241 H VAL 38 H VAL 38 8.312 -1.902 5.131 242 HA VAL 38 HA VAL 38 5.630 -2.896 4.844 243 HB VAL 38 HB VAL 38 6.921 -2.215 2.872 244 HG11 VAL 38 HG11 VAL 38 8.649 -4.624 3.400 245 HG12 VAL 38 HG12 VAL 38 9.140 -2.941 3.589 246 HG13 VAL 38 HG13 VAL 38 8.732 -3.563 1.988 247 HG21 VAL 38 HG21 VAL 38 5.089 -3.760 2.578 248 HG22 VAL 38 HG22 VAL 38 6.160 -5.127 2.886 249 HG23 VAL 38 HG23 VAL 38 6.386 -4.135 1.444 250 H PHE 39 H PHE 39 4.950 -5.030 4.911 251 HA PHE 39 HA PHE 39 6.705 -6.801 6.478 252 HB2 PHE 39 HB2 PHE 39 4.743 -5.968 7.720 253 HB3 PHE 39 HB3 PHE 39 3.686 -6.618 6.476 254 HD1 PHE 39 HD1 PHE 39 5.868 -7.423 9.296 255 HD2 PHE 39 HD2 PHE 39 3.240 -8.987 6.336 256 HE1 PHE 39 HE1 PHE 39 5.758 -9.550 10.521 257 HE2 PHE 39 HE2 PHE 39 3.127 -11.116 7.558 258 HZ PHE 39 HZ PHE 39 4.386 -11.402 9.654 259 H PHE 40 H PHE 40 7.240 -8.671 5.565 260 HA PHE 40 HA PHE 40 5.584 -9.665 3.342 261 HB2 PHE 40 HB2 PHE 40 8.571 -9.703 3.716 262 HB3 PHE 40 HB3 PHE 40 7.773 -10.840 2.641 263 HD1 PHE 40 HD1 PHE 40 8.164 -7.200 3.290 264 HD2 PHE 40 HD2 PHE 40 7.313 -10.256 0.457 265 HE1 PHE 40 HE1 PHE 40 8.227 -5.540 1.476 266 HE2 PHE 40 HE2 PHE 40 7.369 -8.601 -1.358 267 HZ PHE 40 HZ PHE 40 7.827 -6.237 -0.848 268 H ASP 41 H ASP 41 4.402 -11.306 4.104 269 HA ASP 41 HA ASP 41 5.676 -13.311 5.804 270 HB2 ASP 41 HB2 ASP 41 3.443 -14.351 5.938 271 HB3 ASP 41 HB3 ASP 41 3.394 -12.664 6.422 272 H GLU 42 H GLU 42 3.918 -15.437 4.537 273 HA GLU 42 HA GLU 42 5.762 -16.224 2.491 274 HB2 GLU 42 HB2 GLU 42 3.110 -17.416 3.318 275 HB3 GLU 42 HB3 GLU 42 4.256 -18.171 2.217 276 HG2 GLU 42 HG2 GLU 42 5.910 -18.296 3.982 277 HG3 GLU 42 HG3 GLU 42 4.817 -17.470 5.089 278 H VAL 43 H VAL 43 5.676 -14.631 0.953 279 HA VAL 43 HA VAL 43 3.222 -14.500 -0.660 280 HB VAL 43 HB VAL 43 3.743 -12.094 -1.107 281 HG11 VAL 43 HG11 VAL 43 3.215 -12.839 1.765 282 HG12 VAL 43 HG12 VAL 43 2.018 -12.646 0.483 283 HG13 VAL 43 HG13 VAL 43 2.924 -11.249 1.060 284 HG21 VAL 43 HG21 VAL 43 5.241 -10.904 0.426 285 HG22 VAL 43 HG22 VAL 43 6.109 -12.108 -0.527 286 HG23 VAL 43 HG23 VAL 43 5.707 -12.438 1.158 287 H LYS 44 H LYS 44 4.177 -12.878 -2.685 288 HA LYS 44 HA LYS 44 5.672 -14.583 -4.282 289 HB2 LYS 44 HB2 LYS 44 6.007 -12.645 -5.771 290 HB3 LYS 44 HB3 LYS 44 4.336 -12.825 -5.255 291 HG2 LYS 44 HG2 LYS 44 4.498 -11.019 -3.767 292 HG3 LYS 44 HG3 LYS 44 6.254 -10.962 -3.897 293 HD2 LYS 44 HD2 LYS 44 5.217 -9.156 -5.179 294 HD3 LYS 44 HD3 LYS 44 6.071 -10.282 -6.234 295 HE2 LYS 44 HE2 LYS 44 3.873 -11.404 -6.663 296 HE3 LYS 44 HE3 LYS 44 3.098 -10.092 -5.777 297 HZ1 LYS 44 HZ1 LYS 44 4.688 -9.852 -8.269 298 HZ2 LYS 44 HZ2 LYS 44 4.102 -8.539 -7.383 299 HZ3 LYS 44 HZ3 LYS 44 3.017 -9.618 -8.105 300 H LEU 45 H LEU 45 7.801 -14.555 -4.984 301 HA LEU 45 HA LEU 45 9.805 -14.056 -3.083 302 HB2 LEU 45 HB2 LEU 45 10.022 -15.700 -4.887 303 HB3 LEU 45 HB3 LEU 45 10.002 -14.414 -6.077 304 HG LEU 45 HG LEU 45 12.129 -13.550 -5.102 305 HD11 LEU 45 HD11 LEU 45 13.420 -15.027 -3.642 306 HD12 LEU 45 HD12 LEU 45 12.043 -16.122 -3.533 307 HD13 LEU 45 HD13 LEU 45 11.928 -14.491 -2.870 308 HD21 LEU 45 HD21 LEU 45 12.156 -16.399 -6.086 309 HD22 LEU 45 HD22 LEU 45 13.536 -15.301 -6.079 310 HD23 LEU 45 HD23 LEU 45 12.134 -14.949 -7.089 311 H ASP 46 H ASP 46 10.852 -12.233 -2.561 312 HA ASP 46 HA ASP 46 10.209 -9.736 -3.647 313 HB2 ASP 46 HB2 ASP 46 11.126 -9.857 -1.421 314 HB3 ASP 46 HB3 ASP 46 12.615 -10.581 -2.021 315 H GLY 47 H GLY 47 11.650 -8.234 -4.751 316 HA2 GLY 47 HA2 GLY 47 13.515 -8.106 -6.401 317 HA3 GLY 47 HA3 GLY 47 12.974 -9.687 -6.962 318 H MET 48 H MET 48 10.196 -8.574 -6.229 319 HA MET 48 HA MET 48 9.263 -7.772 -8.720 320 HB2 MET 48 HB2 MET 48 7.707 -8.513 -7.054 321 HB3 MET 48 HB3 MET 48 8.215 -7.258 -5.933 322 HG2 MET 48 HG2 MET 48 6.079 -6.681 -6.841 323 HG3 MET 48 HG3 MET 48 7.288 -5.561 -7.466 324 HE1 MET 48 HE1 MET 48 5.882 -4.672 -9.410 325 HE2 MET 48 HE2 MET 48 4.510 -5.609 -8.822 326 HE3 MET 48 HE3 MET 48 4.960 -5.679 -10.525 327 H GLN 49 H GLN 49 9.407 -5.931 -9.815 328 HA GLN 49 HA GLN 49 10.946 -3.762 -8.759 329 HB2 GLN 49 HB2 GLN 49 11.115 -4.449 -11.115 330 HB3 GLN 49 HB3 GLN 49 9.432 -4.005 -11.359 331 HG2 GLN 49 HG2 GLN 49 9.950 -1.683 -10.897 332 HG3 GLN 49 HG3 GLN 49 11.632 -2.107 -10.586 333 HE21 GLN 49 HE21 GLN 49 12.960 -2.669 -12.298 334 HE22 GLN 49 HE22 GLN 49 12.541 -2.324 -13.940 335 H ALA 50 H ALA 50 10.253 -1.964 -7.838 336 HA ALA 50 HA ALA 50 7.420 -1.520 -7.458 337 HB1 ALA 50 HB1 ALA 50 8.984 -1.139 -5.611 338 HB2 ALA 50 HB2 ALA 50 8.129 0.344 -6.038 339 HB3 ALA 50 HB3 ALA 50 9.799 0.108 -6.554 340 H ALA 51 H ALA 51 6.244 0.184 -8.283 341 HA ALA 51 HA ALA 51 7.049 1.114 -10.852 342 HB1 ALA 51 HB1 ALA 51 4.707 1.959 -9.152 343 HB2 ALA 51 HB2 ALA 51 4.713 0.630 -10.312 344 HB3 ALA 51 HB3 ALA 51 4.915 2.291 -10.871 345 H ALA 52 H ALA 52 7.314 3.286 -11.516 346 HA ALA 52 HA ALA 52 8.983 4.795 -9.769 347 HB1 ALA 52 HB1 ALA 52 7.836 5.569 -12.448 348 HB2 ALA 52 HB2 ALA 52 9.338 4.680 -12.199 349 HB3 ALA 52 HB3 ALA 52 9.192 6.340 -11.625 350 H LEU 53 H LEU 53 7.757 5.398 -8.004 351 HA LEU 53 HA LEU 53 5.359 6.995 -8.436 352 HB2 LEU 53 HB2 LEU 53 5.265 5.249 -6.748 353 HB3 LEU 53 HB3 LEU 53 6.642 5.944 -5.916 354 HG LEU 53 HG LEU 53 5.282 7.970 -5.442 355 HD11 LEU 53 HD11 LEU 53 3.043 6.314 -6.597 356 HD12 LEU 53 HD12 LEU 53 3.698 7.805 -7.276 357 HD13 LEU 53 HD13 LEU 53 2.851 7.838 -5.729 358 HD21 LEU 53 HD21 LEU 53 5.518 6.182 -3.798 359 HD22 LEU 53 HD22 LEU 53 4.105 5.372 -4.474 360 HD23 LEU 53 HD23 LEU 53 3.930 6.944 -3.696 361 H ASN 54 H ASN 54 5.678 9.068 -8.827 362 HA ASN 54 HA ASN 54 7.319 10.603 -6.976 363 HB2 ASN 54 HB2 ASN 54 8.793 10.119 -8.896 364 HB3 ASN 54 HB3 ASN 54 7.603 10.823 -9.984 365 HD21 ASN 54 HD21 ASN 54 7.410 13.022 -10.119 366 HD22 ASN 54 HD22 ASN 54 8.544 14.111 -9.396 367 H GLY 55 H GLY 55 5.631 11.652 -6.104 368 HA2 GLY 55 HA2 GLY 55 4.471 13.835 -7.419 369 HA3 GLY 55 HA3 GLY 55 3.323 12.503 -7.458 370 H SER 56 H SER 56 2.388 14.567 -6.176 371 HA SER 56 HA SER 56 2.899 14.063 -3.321 372 HB2 SER 56 HB2 SER 56 1.859 16.343 -2.992 373 HB3 SER 56 HB3 SER 56 3.399 16.347 -3.852 374 HG SER 56 HG SER 56 0.850 16.377 -5.109 375 H MET 57 H MET 57 1.428 12.726 -2.497 376 HA MET 57 HA MET 57 -1.322 13.413 -2.474 377 HB2 MET 57 HB2 MET 57 -2.199 11.351 -3.557 378 HB3 MET 57 HB3 MET 57 -1.412 12.456 -4.672 379 HG2 MET 57 HG2 MET 57 0.595 11.051 -4.629 380 HG3 MET 57 HG3 MET 57 -0.226 9.933 -3.539 381 HE1 MET 57 HE1 MET 57 -0.068 8.036 -7.003 382 HE2 MET 57 HE2 MET 57 0.467 8.040 -5.322 383 HE3 MET 57 HE3 MET 57 1.118 9.219 -6.458 384 H SER 58 H SER 58 -2.401 10.871 -1.826 385 HA SER 58 HA SER 58 -1.255 10.694 0.838 386 HB2 SER 58 HB2 SER 58 -3.803 9.544 -0.318 387 HB3 SER 58 HB3 SER 58 -3.324 9.445 1.377 388 HG SER 58 HG SER 58 -3.266 11.781 1.350 389 H VAL 59 H VAL 59 -1.045 8.577 1.912 390 HA VAL 59 HA VAL 59 0.612 6.800 0.464 391 HB VAL 59 HB VAL 59 -0.817 6.300 3.085 392 HG11 VAL 59 HG11 VAL 59 1.604 4.966 1.880 393 HG12 VAL 59 HG12 VAL 59 0.009 4.245 2.097 394 HG13 VAL 59 HG13 VAL 59 0.980 4.680 3.504 395 HG21 VAL 59 HG21 VAL 59 0.527 8.315 3.214 396 HG22 VAL 59 HG22 VAL 59 1.918 7.457 2.550 397 HG23 VAL 59 HG23 VAL 59 1.289 7.020 4.139 398 H GLU 60 H GLU 60 -2.764 6.729 1.417 399 HA GLU 60 HA GLU 60 -3.542 4.197 0.670 400 HB2 GLU 60 HB2 GLU 60 -5.000 6.826 0.413 401 HB3 GLU 60 HB3 GLU 60 -5.769 5.270 0.149 402 HG2 GLU 60 HG2 GLU 60 -4.399 6.027 2.713 403 HG3 GLU 60 HG3 GLU 60 -6.116 6.287 2.410 404 H GLN 61 H GLN 61 -2.870 6.967 -1.347 405 HA GLN 61 HA GLN 61 -3.828 5.627 -3.748 406 HB2 GLN 61 HB2 GLN 61 -2.663 8.380 -3.290 407 HB3 GLN 61 HB3 GLN 61 -3.266 7.792 -4.834 408 HG2 GLN 61 HG2 GLN 61 -5.480 7.746 -4.086 409 HG3 GLN 61 HG3 GLN 61 -5.001 7.832 -2.392 410 HE21 GLN 61 HE21 GLN 61 -6.844 9.507 -3.944 411 HE22 GLN 61 HE22 GLN 61 -6.252 11.125 -3.783 412 H GLY 62 H GLY 62 -0.800 6.787 -2.328 413 HA2 GLY 62 HA2 GLY 62 0.860 6.274 -4.547 414 HA3 GLY 62 HA3 GLY 62 1.391 6.411 -2.878 415 H LEU 63 H LEU 63 0.187 4.309 -1.674 416 HA LEU 63 HA LEU 63 1.966 2.226 -2.169 417 HB2 LEU 63 HB2 LEU 63 0.154 2.870 -0.237 418 HB3 LEU 63 HB3 LEU 63 -0.627 1.494 -0.987 419 HG LEU 63 HG LEU 63 0.762 1.011 1.035 420 HD11 LEU 63 HD11 LEU 63 0.053 -0.730 -0.438 421 HD12 LEU 63 HD12 LEU 63 1.706 -1.035 0.099 422 HD13 LEU 63 HD13 LEU 63 1.404 -0.403 -1.521 423 HD21 LEU 63 HD21 LEU 63 2.647 2.512 0.385 424 HD22 LEU 63 HD22 LEU 63 3.081 1.328 -0.850 425 HD23 LEU 63 HD23 LEU 63 3.128 0.883 0.855 426 H ARG 64 H ARG 64 -1.341 2.700 -3.268 427 HA ARG 64 HA ARG 64 -1.870 0.254 -4.449 428 HB2 ARG 64 HB2 ARG 64 -2.702 3.036 -5.281 429 HB3 ARG 64 HB3 ARG 64 -3.347 1.572 -6.013 430 HG2 ARG 64 HG2 ARG 64 -4.141 0.891 -3.751 431 HG3 ARG 64 HG3 ARG 64 -3.646 2.484 -3.168 432 HD2 ARG 64 HD2 ARG 64 -5.996 2.539 -3.694 433 HD3 ARG 64 HD3 ARG 64 -5.119 3.515 -4.873 434 HE ARG 64 HE ARG 64 -6.201 0.817 -5.363 435 HH11 ARG 64 HH11 ARG 64 -5.141 3.942 -6.552 436 HH12 ARG 64 HH12 ARG 64 -5.590 3.604 -8.193 437 HH21 ARG 64 HH21 ARG 64 -6.789 0.384 -7.520 438 HH22 ARG 64 HH22 ARG 64 -6.540 1.587 -8.742 439 H ARG 65 H ARG 65 -0.612 3.165 -6.064 440 HA ARG 65 HA ARG 65 -0.151 1.777 -8.520 441 HB2 ARG 65 HB2 ARG 65 0.729 4.517 -7.610 442 HB3 ARG 65 HB3 ARG 65 0.890 3.905 -9.249 443 HG2 ARG 65 HG2 ARG 65 -1.543 3.732 -9.426 444 HG3 ARG 65 HG3 ARG 65 -1.703 4.345 -7.778 445 HD2 ARG 65 HD2 ARG 65 -0.614 6.422 -8.435 446 HD3 ARG 65 HD3 ARG 65 -0.414 5.813 -10.074 447 HE ARG 65 HE ARG 65 -3.144 5.753 -9.368 448 HH11 ARG 65 HH11 ARG 65 -0.576 7.995 -10.128 449 HH12 ARG 65 HH12 ARG 65 -1.637 9.207 -10.776 450 HH21 ARG 65 HH21 ARG 65 -4.565 7.351 -10.216 451 HH22 ARG 65 HH22 ARG 65 -3.914 8.839 -10.823 452 H LEU 66 H LEU 66 1.753 2.598 -5.746 453 HA LEU 66 HA LEU 66 4.317 2.411 -6.861 454 HB2 LEU 66 HB2 LEU 66 3.749 3.402 -4.662 455 HB3 LEU 66 HB3 LEU 66 3.445 1.796 -4.040 456 HG LEU 66 HG LEU 66 5.767 1.213 -4.203 457 HD11 LEU 66 HD11 LEU 66 6.253 2.376 -6.312 458 HD12 LEU 66 HD12 LEU 66 7.449 2.715 -5.066 459 HD13 LEU 66 HD13 LEU 66 6.216 3.913 -5.453 460 HD21 LEU 66 HD21 LEU 66 6.750 2.901 -2.701 461 HD22 LEU 66 HD22 LEU 66 5.118 2.435 -2.221 462 HD23 LEU 66 HD23 LEU 66 5.389 3.970 -3.046 463 H ILE 67 H ILE 67 2.154 -0.055 -5.546 464 HA ILE 67 HA ILE 67 4.186 -2.113 -5.912 465 HB ILE 67 HB ILE 67 1.287 -2.453 -5.113 466 HG12 ILE 67 HG12 ILE 67 3.721 -2.293 -3.324 467 HG13 ILE 67 HG13 ILE 67 2.516 -1.022 -3.505 468 HG21 ILE 67 HG21 ILE 67 2.036 -4.605 -4.228 469 HG22 ILE 67 HG22 ILE 67 3.656 -4.292 -4.848 470 HG23 ILE 67 HG23 ILE 67 2.306 -4.477 -5.965 471 HD11 ILE 67 HD11 ILE 67 2.127 -2.285 -1.475 472 HD12 ILE 67 HD12 ILE 67 2.030 -3.783 -2.405 473 HD13 ILE 67 HD13 ILE 67 0.804 -2.532 -2.614 474 H GLY 68 H GLY 68 0.785 -1.781 -6.942 475 HA2 GLY 68 HA2 GLY 68 1.511 -3.215 -9.418 476 HA3 GLY 68 HA3 GLY 68 -0.018 -3.438 -8.586 477 H GLY 69 H GLY 69 -0.828 -0.902 -8.091 478 HA2 GLY 69 HA2 GLY 69 -1.652 0.999 -9.292 479 HA3 GLY 69 HA3 GLY 69 -1.201 0.202 -10.796 480 H ASN 70 H ASN 70 -2.490 -2.016 -8.730 481 HA ASN 70 HA ASN 70 -5.032 -2.025 -10.188 482 HB2 ASN 70 HB2 ASN 70 -3.621 -4.189 -8.602 483 HB3 ASN 70 HB3 ASN 70 -5.181 -4.391 -9.387 484 HD21 ASN 70 HD21 ASN 70 -4.442 -6.047 -10.685 485 HD22 ASN 70 HD22 ASN 70 -3.377 -5.777 -12.021 486 HA PRO 71 HA PRO 71 -7.351 -1.266 -6.415 487 HB2 PRO 71 HB2 PRO 71 -9.351 -3.234 -7.255 488 HB3 PRO 71 HB3 PRO 71 -9.509 -1.484 -7.090 489 HG2 PRO 71 HG2 PRO 71 -9.516 -2.710 -9.493 490 HG3 PRO 71 HG3 PRO 71 -8.854 -1.083 -9.254 491 HD2 PRO 71 HD2 PRO 71 -7.412 -3.700 -9.481 492 HD3 PRO 71 HD3 PRO 71 -7.003 -2.122 -10.185 493 H VAL 72 H VAL 72 -6.485 -2.111 -4.618 494 HA VAL 72 HA VAL 72 -6.807 -4.931 -3.986 495 HB VAL 72 HB VAL 72 -4.673 -4.749 -5.289 496 HG11 VAL 72 HG11 VAL 72 -2.750 -3.648 -4.247 497 HG12 VAL 72 HG12 VAL 72 -3.797 -3.044 -2.964 498 HG13 VAL 72 HG13 VAL 72 -4.037 -2.503 -4.625 499 HG21 VAL 72 HG21 VAL 72 -3.326 -6.054 -3.766 500 HG22 VAL 72 HG22 VAL 72 -5.022 -6.509 -3.586 501 HG23 VAL 72 HG23 VAL 72 -4.257 -5.466 -2.388 502 H ALA 73 H ALA 73 -6.045 -5.343 -1.671 503 HA ALA 73 HA ALA 73 -6.580 -2.896 -0.130 504 HB1 ALA 73 HB1 ALA 73 -7.210 -5.749 0.608 505 HB2 ALA 73 HB2 ALA 73 -8.367 -4.562 0.009 506 HB3 ALA 73 HB3 ALA 73 -7.580 -4.317 1.569 507 H PHE 74 H PHE 74 -4.904 -2.174 0.952 508 HA PHE 74 HA PHE 74 -2.925 -4.120 1.915 509 HB2 PHE 74 HB2 PHE 74 -1.214 -2.278 1.672 510 HB3 PHE 74 HB3 PHE 74 -1.871 -2.881 0.159 511 HD1 PHE 74 HD1 PHE 74 -3.707 -1.546 -0.964 512 HD2 PHE 74 HD2 PHE 74 -1.307 -0.009 2.191 513 HE1 PHE 74 HE1 PHE 74 -4.294 0.740 -1.641 514 HE2 PHE 74 HE2 PHE 74 -1.882 2.279 1.513 515 HZ PHE 74 HZ PHE 74 -3.385 2.656 -0.401 516 H ARG 75 H ARG 75 -2.786 -4.230 4.014 517 HA ARG 75 HA ARG 75 -4.271 -2.300 5.587 518 HB2 ARG 75 HB2 ARG 75 -3.101 -5.006 6.171 519 HB3 ARG 75 HB3 ARG 75 -3.709 -3.971 7.458 520 HG2 ARG 75 HG2 ARG 75 -5.908 -3.968 6.486 521 HG3 ARG 75 HG3 ARG 75 -5.327 -4.865 5.082 522 HD2 ARG 75 HD2 ARG 75 -5.123 -5.934 7.883 523 HD3 ARG 75 HD3 ARG 75 -6.546 -6.189 6.874 524 HE ARG 75 HE ARG 75 -4.409 -6.995 5.345 525 HH11 ARG 75 HH11 ARG 75 -5.718 -7.870 8.465 526 HH12 ARG 75 HH12 ARG 75 -5.270 -9.542 8.328 527 HH21 ARG 75 HH21 ARG 75 -3.825 -9.195 5.145 528 HH22 ARG 75 HH22 ARG 75 -4.177 -10.291 6.450 529 H LEU 76 H LEU 76 -3.229 -0.537 6.103 530 HA LEU 76 HA LEU 76 -0.426 -0.576 6.835 531 HB2 LEU 76 HB2 LEU 76 -2.461 1.664 6.930 532 HB3 LEU 76 HB3 LEU 76 -0.734 1.845 7.174 533 HG LEU 76 HG LEU 76 -2.018 0.933 4.595 534 HD11 LEU 76 HD11 LEU 76 -0.842 3.608 5.337 535 HD12 LEU 76 HD12 LEU 76 -2.552 3.262 5.088 536 HD13 LEU 76 HD13 LEU 76 -1.425 3.137 3.740 537 HD21 LEU 76 HD21 LEU 76 0.240 0.068 4.915 538 HD22 LEU 76 HD22 LEU 76 0.827 1.700 5.242 539 HD23 LEU 76 HD23 LEU 76 0.203 1.289 3.643 540 H GLN 77 H GLN 77 -0.153 -1.652 8.709 541 HA GLN 77 HA GLN 77 -2.063 -1.511 10.850 542 HB2 GLN 77 HB2 GLN 77 0.712 -2.709 10.763 543 HB3 GLN 77 HB3 GLN 77 -0.438 -2.923 12.071 544 HG2 GLN 77 HG2 GLN 77 -1.979 -4.025 10.487 545 HG3 GLN 77 HG3 GLN 77 -0.744 -3.881 9.237 546 HE21 GLN 77 HE21 GLN 77 -0.033 -4.556 12.593 547 HE22 GLN 77 HE22 GLN 77 0.519 -6.175 12.350 548 HA PRO 78 HA PRO 78 -0.381 2.009 12.997 549 HB2 PRO 78 HB2 PRO 78 -1.289 1.377 15.499 550 HB3 PRO 78 HB3 PRO 78 -2.302 2.093 14.242 551 HG2 PRO 78 HG2 PRO 78 -2.061 -0.767 15.080 552 HG3 PRO 78 HG3 PRO 78 -3.516 0.162 14.674 553 HD2 PRO 78 HD2 PRO 78 -2.390 -1.556 12.934 554 HD3 PRO 78 HD3 PRO 78 -3.170 -0.054 12.397 555 H GLN 79 H GLN 79 0.480 -1.219 13.469 556 HA GLN 79 HA GLN 79 2.533 -0.767 15.436 557 HB2 GLN 79 HB2 GLN 79 2.088 -3.099 13.562 558 HB3 GLN 79 HB3 GLN 79 3.229 -3.070 14.899 559 HG2 GLN 79 HG2 GLN 79 1.376 -2.808 16.469 560 HG3 GLN 79 HG3 GLN 79 0.237 -2.855 15.126 561 HE21 GLN 79 HE21 GLN 79 -0.793 -4.668 15.924 562 HE22 GLN 79 HE22 GLN 79 -0.073 -6.242 15.887 563 H GLY 80 H GLY 80 2.155 0.133 12.310 564 HA2 GLY 80 HA2 GLY 80 3.677 1.253 10.968 565 HA3 GLY 80 HA3 GLY 80 4.978 0.684 12.002 566 H GLN 81 H GLN 81 2.519 -1.256 10.353 567 HA GLN 81 HA GLN 81 4.662 -2.428 8.710 568 HB2 GLN 81 HB2 GLN 81 2.503 -3.921 10.205 569 HB3 GLN 81 HB3 GLN 81 3.561 -4.645 9.006 570 HG2 GLN 81 HG2 GLN 81 4.532 -3.335 11.531 571 HG3 GLN 81 HG3 GLN 81 4.217 -5.060 11.367 572 HE21 GLN 81 HE21 GLN 81 6.307 -2.426 10.478 573 HE22 GLN 81 HE22 GLN 81 7.593 -3.405 9.866 574 H ILE 82 H ILE 82 4.141 -2.921 6.632 575 HA ILE 82 HA ILE 82 1.415 -2.228 5.750 576 HB ILE 82 HB ILE 82 3.923 -2.370 4.066 577 HG12 ILE 82 HG12 ILE 82 2.485 0.047 5.178 578 HG13 ILE 82 HG13 ILE 82 4.040 -0.559 5.736 579 HG21 ILE 82 HG21 ILE 82 1.168 -1.304 3.461 580 HG22 ILE 82 HG22 ILE 82 1.897 -2.765 2.794 581 HG23 ILE 82 HG23 ILE 82 2.567 -1.184 2.394 582 HD11 ILE 82 HD11 ILE 82 4.304 1.366 4.291 583 HD12 ILE 82 HD12 ILE 82 3.452 0.528 2.995 584 HD13 ILE 82 HD13 ILE 82 5.012 -0.072 3.556 585 H VAL 83 H VAL 83 0.192 -3.980 5.475 586 HA VAL 83 HA VAL 83 1.447 -6.399 4.337 587 HB VAL 83 HB VAL 83 -0.977 -6.269 6.144 588 HG11 VAL 83 HG11 VAL 83 -1.053 -8.140 4.583 589 HG12 VAL 83 HG12 VAL 83 -0.777 -8.706 6.232 590 HG13 VAL 83 HG13 VAL 83 0.564 -8.638 5.086 591 HG21 VAL 83 HG21 VAL 83 1.130 -5.711 7.304 592 HG22 VAL 83 HG22 VAL 83 1.798 -7.257 6.781 593 HG23 VAL 83 HG23 VAL 83 0.413 -7.218 7.870 594 H LEU 84 H LEU 84 0.895 -6.555 2.241 595 HA LEU 84 HA LEU 84 -1.585 -5.483 1.243 596 HB2 LEU 84 HB2 LEU 84 0.548 -5.568 -0.090 597 HB3 LEU 84 HB3 LEU 84 0.356 -7.309 -0.175 598 HG LEU 84 HG LEU 84 -1.870 -6.913 -1.289 599 HD11 LEU 84 HD11 LEU 84 -2.157 -4.695 -2.353 600 HD12 LEU 84 HD12 LEU 84 -0.825 -4.092 -1.366 601 HD13 LEU 84 HD13 LEU 84 -2.305 -4.669 -0.598 602 HD21 LEU 84 HD21 LEU 84 -0.913 -6.445 -3.469 603 HD22 LEU 84 HD22 LEU 84 0.120 -7.546 -2.556 604 HD23 LEU 84 HD23 LEU 84 0.563 -5.844 -2.711 605 H SER 85 H SER 85 -3.397 -6.645 0.558 606 HA SER 85 HA SER 85 -3.442 -9.520 0.936 607 HB2 SER 85 HB2 SER 85 -5.189 -7.687 2.603 608 HB3 SER 85 HB3 SER 85 -5.269 -9.448 2.581 609 HG SER 85 HG SER 85 -2.746 -8.734 3.049 610 H ARG 86 H ARG 86 -5.758 -10.314 0.525 611 HA ARG 86 HA ARG 86 -7.047 -8.623 -1.507 612 HB2 ARG 86 HB2 ARG 86 -5.877 -10.542 -2.541 613 HB3 ARG 86 HB3 ARG 86 -6.803 -11.639 -1.525 614 HG2 ARG 86 HG2 ARG 86 -8.876 -10.608 -2.581 615 HG3 ARG 86 HG3 ARG 86 -7.776 -9.908 -3.770 616 HD2 ARG 86 HD2 ARG 86 -8.677 -11.987 -4.601 617 HD3 ARG 86 HD3 ARG 86 -6.949 -12.155 -4.296 618 HE ARG 86 HE ARG 86 -8.301 -12.980 -2.001 619 HH11 ARG 86 HH11 ARG 86 -7.889 -14.003 -5.320 620 HH12 ARG 86 HH12 ARG 86 -8.182 -15.675 -4.975 621 HH21 ARG 86 HH21 ARG 86 -8.673 -15.165 -1.532 622 HH22 ARG 86 HH22 ARG 86 -8.623 -16.343 -2.806 623 H LEU 87 H LEU 87 -9.208 -8.380 -1.294 624 HA LEU 87 HA LEU 87 -10.549 -9.975 0.760 625 HB2 LEU 87 HB2 LEU 87 -10.449 -6.976 0.554 626 HB3 LEU 87 HB3 LEU 87 -11.640 -7.833 1.521 627 HG LEU 87 HG LEU 87 -8.736 -8.389 1.960 628 HD11 LEU 87 HD11 LEU 87 -8.884 -5.972 1.955 629 HD12 LEU 87 HD12 LEU 87 -8.639 -6.582 3.593 630 HD13 LEU 87 HD13 LEU 87 -10.238 -6.036 3.084 631 HD21 LEU 87 HD21 LEU 87 -9.516 -8.782 4.246 632 HD22 LEU 87 HD22 LEU 87 -10.402 -9.767 3.082 633 HD23 LEU 87 HD23 LEU 87 -11.150 -8.324 3.767 634 HA PRO 88 HA PRO 88 -13.611 -10.054 -2.511 635 HB2 PRO 88 HB2 PRO 88 -15.164 -11.719 -0.699 636 HB3 PRO 88 HB3 PRO 88 -14.407 -12.158 -2.231 637 HG2 PRO 88 HG2 PRO 88 -13.541 -13.092 0.170 638 HG3 PRO 88 HG3 PRO 88 -12.469 -12.857 -1.223 639 HD2 PRO 88 HD2 PRO 88 -12.872 -11.109 1.177 640 HD3 PRO 88 HD3 PRO 88 -11.369 -11.537 0.332 641 H THR 89 H THR 89 -14.849 -8.304 -2.695 642 HA THR 89 HA THR 89 -16.056 -7.027 -0.438 643 HB THR 89 HB THR 89 -16.534 -6.459 -3.371 644 HG1 THR 89 HG1 THR 89 -14.913 -4.684 -2.685 645 HG21 THR 89 HG21 THR 89 -17.152 -4.232 -2.594 646 HG22 THR 89 HG22 THR 89 -16.837 -4.708 -0.927 647 HG23 THR 89 HG23 THR 89 -18.163 -5.452 -1.821 648 H ALA 90 H ALA 90 -17.489 -8.571 0.415 649 HA ALA 90 HA ALA 90 -19.530 -9.806 -1.108 650 HB1 ALA 90 HB1 ALA 90 -19.458 -9.224 1.854 651 HB2 ALA 90 HB2 ALA 90 -18.796 -10.660 1.071 652 HB3 ALA 90 HB3 ALA 90 -20.534 -10.363 1.044 653 H ASN 91 H ASN 91 -20.953 -8.657 -2.207 654 HA ASN 91 HA ASN 91 -21.999 -6.165 -1.048 655 HB2 ASN 91 HB2 ASN 91 -20.816 -6.129 -3.293 656 HB3 ASN 91 HB3 ASN 91 -22.156 -7.074 -3.928 657 HD21 ASN 91 HD21 ASN 91 -21.220 -4.434 -4.679 658 HD22 ASN 91 HD22 ASN 91 -22.565 -3.367 -4.470 659 H GLY 92 H GLY 92 -22.986 -9.016 -2.933 660 HA2 GLY 92 HA2 GLY 92 -25.785 -8.554 -2.511 661 HA3 GLY 92 HA3 GLY 92 -25.058 -9.992 -3.211 662 H ASP 93 H ASP 93 -23.475 -9.491 -0.407 663 HA ASP 93 HA ASP 93 -24.788 -11.598 0.993 664 HB2 ASP 93 HB2 ASP 93 -22.368 -11.172 1.207 665 HB3 ASP 93 HB3 ASP 93 -22.708 -9.622 1.966 666 H GLY 94 H GLY 94 -25.036 -8.147 0.936 667 HA2 GLY 94 HA2 GLY 94 -26.924 -6.970 1.720 668 HA3 GLY 94 HA3 GLY 94 -27.274 -8.301 2.811 669 H GLY 95 H GLY 95 -24.031 -7.633 2.982 670 HA2 GLY 95 HA2 GLY 95 -24.135 -6.719 5.634 671 HA3 GLY 95 HA3 GLY 95 -22.715 -6.684 4.601 672 H ALA 96 H ALA 96 -24.525 -4.801 6.461 673 HA ALA 96 HA ALA 96 -24.582 -2.472 4.691 674 HB1 ALA 96 HB1 ALA 96 -25.891 -1.403 6.457 675 HB2 ALA 96 HB2 ALA 96 -25.678 -2.823 7.480 676 HB3 ALA 96 HB3 ALA 96 -26.603 -2.944 5.984 677 H LEU 97 H LEU 97 -22.878 -1.193 4.653 678 HA LEU 97 HA LEU 97 -20.963 -0.108 5.198 679 HB2 LEU 97 HB2 LEU 97 -22.173 -0.181 7.963 680 HB3 LEU 97 HB3 LEU 97 -20.785 0.787 7.508 681 HG LEU 97 HG LEU 97 -23.579 1.088 6.403 682 HD11 LEU 97 HD11 LEU 97 -23.392 1.839 8.709 683 HD12 LEU 97 HD12 LEU 97 -23.582 3.208 7.614 684 HD13 LEU 97 HD13 LEU 97 -21.996 2.828 8.284 685 HD21 LEU 97 HD21 LEU 97 -21.069 2.675 5.879 686 HD22 LEU 97 HD22 LEU 97 -22.687 3.124 5.342 687 HD23 LEU 97 HD23 LEU 97 -21.928 1.657 4.724 688 H ALA 98 H ALA 98 -20.994 -3.005 5.245 689 HA ALA 98 HA ALA 98 -18.912 -3.593 7.232 690 HB1 ALA 98 HB1 ALA 98 -19.402 -5.961 6.769 691 HB2 ALA 98 HB2 ALA 98 -20.628 -5.465 5.601 692 HB3 ALA 98 HB3 ALA 98 -20.831 -5.082 7.310 693 H LEU 99 H LEU 99 -19.718 -3.888 3.820 694 HA LEU 99 HA LEU 99 -16.866 -4.161 3.206 695 HB2 LEU 99 HB2 LEU 99 -19.264 -5.160 1.672 696 HB3 LEU 99 HB3 LEU 99 -17.647 -5.119 1.006 697 HG LEU 99 HG LEU 99 -18.027 -7.345 1.671 698 HD11 LEU 99 HD11 LEU 99 -15.822 -6.515 2.261 699 HD12 LEU 99 HD12 LEU 99 -16.368 -7.746 3.399 700 HD13 LEU 99 HD13 LEU 99 -16.415 -6.043 3.853 701 HD21 LEU 99 HD21 LEU 99 -18.751 -8.002 3.913 702 HD22 LEU 99 HD22 LEU 99 -19.961 -7.018 3.090 703 HD23 LEU 99 HD23 LEU 99 -18.945 -6.303 4.342 704 H ASP 100 H ASP 100 -18.742 -1.827 3.626 705 HA ASP 100 HA ASP 100 -19.362 -0.579 1.199 706 HB2 ASP 100 HB2 ASP 100 -20.440 0.213 3.156 707 HB3 ASP 100 HB3 ASP 100 -18.911 0.506 3.974 708 H SER 101 H SER 101 -16.477 -0.350 3.230 709 HA SER 101 HA SER 101 -15.280 1.726 1.692 710 HB2 SER 101 HB2 SER 101 -13.969 -0.246 3.575 711 HB3 SER 101 HB3 SER 101 -13.281 1.280 3.018 712 HG SER 101 HG SER 101 -15.784 1.498 4.154 713 H LEU 102 H LEU 102 -15.649 -1.613 1.171 714 HA LEU 102 HA LEU 102 -13.309 -1.729 -0.590 715 HB2 LEU 102 HB2 LEU 102 -15.085 -3.917 0.482 716 HB3 LEU 102 HB3 LEU 102 -13.776 -4.181 -0.653 717 HG LEU 102 HG LEU 102 -13.474 -3.124 2.160 718 HD11 LEU 102 HD11 LEU 102 -12.393 -5.273 2.598 719 HD12 LEU 102 HD12 LEU 102 -12.776 -5.800 0.960 720 HD13 LEU 102 HD13 LEU 102 -14.074 -5.479 2.110 721 HD21 LEU 102 HD21 LEU 102 -11.781 -2.197 0.691 722 HD22 LEU 102 HD22 LEU 102 -11.410 -3.805 0.070 723 HD23 LEU 102 HD23 LEU 102 -11.064 -3.409 1.753 724 H THR 103 H THR 103 -16.657 -1.219 -0.755 725 HA THR 103 HA THR 103 -16.929 -2.427 -3.375 726 HB THR 103 HB THR 103 -18.849 -2.366 -1.730 727 HG1 THR 103 HG1 THR 103 -20.165 -1.246 -3.713 728 HG21 THR 103 HG21 THR 103 -18.615 -0.056 -0.958 729 HG22 THR 103 HG22 THR 103 -20.213 -0.335 -1.648 730 HG23 THR 103 HG23 THR 103 -18.991 0.529 -2.579 731 H VAL 104 H VAL 104 -16.416 0.743 -1.983 732 HA VAL 104 HA VAL 104 -16.511 2.010 -4.588 733 HB VAL 104 HB VAL 104 -15.641 4.033 -3.295 734 HG11 VAL 104 HG11 VAL 104 -18.261 2.799 -2.452 735 HG12 VAL 104 HG12 VAL 104 -17.985 3.758 -3.906 736 HG13 VAL 104 HG13 VAL 104 -17.836 4.506 -2.316 737 HG21 VAL 104 HG21 VAL 104 -15.884 3.997 -0.873 738 HG22 VAL 104 HG22 VAL 104 -14.697 2.798 -1.386 739 HG23 VAL 104 HG23 VAL 104 -16.322 2.291 -0.924 740 H LEU 105 H LEU 105 -14.971 0.947 -5.731 741 HA LEU 105 HA LEU 105 -12.309 1.751 -5.686 742 HB2 LEU 105 HB2 LEU 105 -12.123 0.509 -3.596 743 HB3 LEU 105 HB3 LEU 105 -12.818 -0.913 -4.347 744 HG LEU 105 HG LEU 105 -10.842 -1.108 -5.798 745 HD11 LEU 105 HD11 LEU 105 -8.866 0.245 -5.372 746 HD12 LEU 105 HD12 LEU 105 -9.754 1.186 -4.174 747 HD13 LEU 105 HD13 LEU 105 -10.220 1.256 -5.874 748 HD21 LEU 105 HD21 LEU 105 -10.931 -2.317 -3.680 749 HD22 LEU 105 HD22 LEU 105 -10.195 -0.940 -2.859 750 HD23 LEU 105 HD23 LEU 105 -9.280 -1.834 -4.072 751 H GLY 106 H GLY 106 -14.687 -0.695 -6.404 752 HA2 GLY 106 HA2 GLY 106 -15.118 -1.218 -8.745 753 HA3 GLY 106 HA3 GLY 106 -13.379 -1.154 -9.009 754 H ALA 107 H ALA 107 -12.972 -3.211 -9.667 755 HA ALA 107 HA ALA 107 -13.999 -5.452 -8.145 756 HB1 ALA 107 HB1 ALA 107 -12.091 -5.367 -10.482 757 HB2 ALA 107 HB2 ALA 107 -13.825 -5.677 -10.556 758 HB3 ALA 107 HB3 ALA 107 -12.758 -6.831 -9.759 759 H GLY 108 H GLY 108 -13.091 -5.857 -6.243 760 HA2 GLY 108 HA2 GLY 108 -10.460 -4.998 -5.554 761 HA3 GLY 108 HA3 GLY 108 -11.514 -6.001 -4.572 762 H GLY 109 H GLY 109 -8.736 -5.897 -6.424 763 HA2 GLY 109 HA2 GLY 109 -8.573 -8.843 -6.444 764 HA3 GLY 109 HA3 GLY 109 -7.955 -7.867 -7.771 765 H ASN 110 H ASN 110 -5.847 -8.617 -7.523 766 HA ASN 110 HA ASN 110 -4.483 -7.560 -5.136 767 HB2 ASN 110 HB2 ASN 110 -2.899 -9.379 -5.226 768 HB3 ASN 110 HB3 ASN 110 -4.521 -10.061 -5.200 769 HD21 ASN 110 HD21 ASN 110 -1.633 -9.585 -7.069 770 HD22 ASN 110 HD22 ASN 110 -2.057 -10.653 -8.363 771 H ASN 111 H ASN 111 -2.549 -6.486 -5.461 772 HA ASN 111 HA ASN 111 -1.989 -5.351 -7.982 773 HB2 ASN 111 HB2 ASN 111 -0.544 -5.470 -5.363 774 HB3 ASN 111 HB3 ASN 111 0.361 -4.982 -6.791 775 HD21 ASN 111 HD21 ASN 111 -0.291 -3.393 -4.444 776 HD22 ASN 111 HD22 ASN 111 -1.213 -2.047 -5.013 777 H ALA 112 H ALA 112 -0.671 -5.971 -9.599 778 HA ALA 112 HA ALA 112 -0.337 -8.639 -10.148 779 HB1 ALA 112 HB1 ALA 112 -0.298 -6.879 -11.840 780 HB2 ALA 112 HB2 ALA 112 1.096 -7.949 -11.992 781 HB3 ALA 112 HB3 ALA 112 1.283 -6.355 -11.261 Start of MODEL 7 1 H1 SER 6 H1 SER 6 -8.136 24.213 9.037 2 H2 SER 6 H2 SER 6 -8.531 23.987 7.412 3 H3 SER 6 H3 SER 6 -7.113 24.806 7.833 4 HA SER 6 HA SER 6 -6.639 22.568 7.096 5 HB2 SER 6 HB2 SER 6 -6.204 22.920 10.071 6 HB3 SER 6 HB3 SER 6 -5.216 21.965 8.964 7 HG SER 6 HG SER 6 -4.117 23.731 8.708 8 H MET 7 H MET 7 -6.997 20.360 7.245 9 HA MET 7 HA MET 7 -8.829 19.346 9.256 10 HB2 MET 7 HB2 MET 7 -10.246 20.223 7.368 11 HB3 MET 7 HB3 MET 7 -9.478 19.040 6.319 12 HG2 MET 7 HG2 MET 7 -11.593 18.188 7.021 13 HG3 MET 7 HG3 MET 7 -10.323 17.246 7.797 14 HE1 MET 7 HE1 MET 7 -12.186 16.286 9.481 15 HE2 MET 7 HE2 MET 7 -13.410 17.283 8.696 16 HE3 MET 7 HE3 MET 7 -13.236 17.321 10.450 17 H ALA 8 H ALA 8 -7.688 17.689 9.992 18 HA ALA 8 HA ALA 8 -5.658 16.380 8.527 19 HB1 ALA 8 HB1 ALA 8 -5.425 14.942 10.440 20 HB2 ALA 8 HB2 ALA 8 -7.015 15.415 11.036 21 HB3 ALA 8 HB3 ALA 8 -5.705 16.593 10.995 22 H GLN 9 H GLN 9 -9.024 15.608 9.155 23 HA GLN 9 HA GLN 9 -8.799 12.963 8.019 24 HB2 GLN 9 HB2 GLN 9 -11.125 14.567 9.055 25 HB3 GLN 9 HB3 GLN 9 -11.329 12.995 8.295 26 HG2 GLN 9 HG2 GLN 9 -9.668 13.545 10.744 27 HG3 GLN 9 HG3 GLN 9 -11.290 12.849 10.736 28 HE21 GLN 9 HE21 GLN 9 -11.583 10.748 9.979 29 HE22 GLN 9 HE22 GLN 9 -10.262 9.644 9.807 30 H ALA 10 H ALA 10 -8.512 15.701 6.495 31 HA ALA 10 HA ALA 10 -10.457 15.199 4.370 32 HB1 ALA 10 HB1 ALA 10 -10.206 17.505 5.106 33 HB2 ALA 10 HB2 ALA 10 -9.703 17.327 3.425 34 HB3 ALA 10 HB3 ALA 10 -8.491 17.461 4.700 35 H ALA 11 H ALA 11 -8.003 13.569 5.041 36 HA ALA 11 HA ALA 11 -6.522 12.268 3.938 37 HB1 ALA 11 HB1 ALA 11 -8.305 12.013 2.268 38 HB2 ALA 11 HB2 ALA 11 -6.699 11.977 1.541 39 HB3 ALA 11 HB3 ALA 11 -7.692 13.428 1.413 40 H GLN 12 H GLN 12 -4.847 13.472 4.854 41 HA GLN 12 HA GLN 12 -3.679 15.753 3.673 42 HB2 GLN 12 HB2 GLN 12 -3.289 15.155 6.006 43 HB3 GLN 12 HB3 GLN 12 -2.501 13.664 5.515 44 HG2 GLN 12 HG2 GLN 12 -0.867 15.308 6.192 45 HG3 GLN 12 HG3 GLN 12 -0.707 14.952 4.474 46 HE21 GLN 12 HE21 GLN 12 -1.137 16.541 2.979 47 HE22 GLN 12 HE22 GLN 12 -1.389 18.195 3.416 48 H GLN 13 H GLN 13 -2.918 15.747 1.657 49 HA GLN 13 HA GLN 13 -1.615 13.385 0.582 50 HB2 GLN 13 HB2 GLN 13 -2.213 16.062 -0.689 51 HB3 GLN 13 HB3 GLN 13 -1.524 14.680 -1.526 52 HG2 GLN 13 HG2 GLN 13 -3.583 13.397 -0.936 53 HG3 GLN 13 HG3 GLN 13 -4.267 14.900 -0.318 54 HE21 GLN 13 HE21 GLN 13 -5.150 13.195 -2.518 55 HE22 GLN 13 HE22 GLN 13 -5.188 14.210 -3.919 56 H LYS 14 H LYS 14 0.512 13.280 -0.071 57 HA LYS 14 HA LYS 14 2.245 15.558 0.607 58 HB2 LYS 14 HB2 LYS 14 2.731 12.640 1.241 59 HB3 LYS 14 HB3 LYS 14 3.972 13.879 1.339 60 HG2 LYS 14 HG2 LYS 14 1.425 13.851 2.947 61 HG3 LYS 14 HG3 LYS 14 3.007 13.324 3.525 62 HD2 LYS 14 HD2 LYS 14 3.884 15.590 3.102 63 HD3 LYS 14 HD3 LYS 14 2.272 16.102 2.600 64 HE2 LYS 14 HE2 LYS 14 2.670 16.766 4.890 65 HE3 LYS 14 HE3 LYS 14 1.417 15.527 4.833 66 HZ1 LYS 14 HZ1 LYS 14 3.026 13.884 5.506 67 HZ2 LYS 14 HZ2 LYS 14 3.025 15.154 6.619 68 HZ3 LYS 14 HZ3 LYS 14 4.271 15.026 5.485 69 H ASN 15 H ASN 15 4.262 15.581 -0.597 70 HA ASN 15 HA ASN 15 3.842 14.748 -3.322 71 HB2 ASN 15 HB2 ASN 15 6.135 16.233 -2.019 72 HB3 ASN 15 HB3 ASN 15 5.941 15.985 -3.744 73 HD21 ASN 15 HD21 ASN 15 6.096 18.456 -2.235 74 HD22 ASN 15 HD22 ASN 15 4.642 19.324 -2.582 75 H PHE 16 H PHE 16 4.123 12.587 -3.573 76 HA PHE 16 HA PHE 16 6.585 11.399 -2.505 77 HB2 PHE 16 HB2 PHE 16 4.088 10.043 -3.546 78 HB3 PHE 16 HB3 PHE 16 5.503 9.221 -2.908 79 HD1 PHE 16 HD1 PHE 16 6.207 10.293 -0.484 80 HD2 PHE 16 HD2 PHE 16 2.295 10.073 -2.139 81 HE1 PHE 16 HE1 PHE 16 5.250 10.372 1.780 82 HE2 PHE 16 HE2 PHE 16 1.329 10.154 0.121 83 HZ PHE 16 HZ PHE 16 2.807 10.304 2.083 84 H ASN 17 H ASN 17 8.058 10.433 -3.811 85 HA ASN 17 HA ASN 17 7.503 10.038 -6.633 86 HB2 ASN 17 HB2 ASN 17 8.312 12.412 -6.424 87 HB3 ASN 17 HB3 ASN 17 9.824 11.781 -5.780 88 HD21 ASN 17 HD21 ASN 17 11.203 10.609 -7.149 89 HD22 ASN 17 HD22 ASN 17 11.075 10.717 -8.869 90 H ILE 18 H ILE 18 7.952 7.889 -6.541 91 HA ILE 18 HA ILE 18 10.623 7.126 -5.559 92 HB ILE 18 HB ILE 18 8.112 5.488 -5.155 93 HG12 ILE 18 HG12 ILE 18 9.711 7.133 -3.181 94 HG13 ILE 18 HG13 ILE 18 8.072 7.465 -3.727 95 HG21 ILE 18 HG21 ILE 18 10.159 4.159 -5.420 96 HG22 ILE 18 HG22 ILE 18 9.516 4.045 -3.783 97 HG23 ILE 18 HG23 ILE 18 10.913 5.071 -4.112 98 HD11 ILE 18 HD11 ILE 18 7.306 5.407 -2.666 99 HD12 ILE 18 HD12 ILE 18 8.073 6.498 -1.511 100 HD13 ILE 18 HD13 ILE 18 8.949 5.088 -2.108 101 H ALA 19 H ALA 19 11.750 6.400 -7.231 102 HA ALA 19 HA ALA 19 10.696 5.298 -9.604 103 HB1 ALA 19 HB1 ALA 19 12.988 4.575 -10.060 104 HB2 ALA 19 HB2 ALA 19 13.434 4.915 -8.389 105 HB3 ALA 19 HB3 ALA 19 12.961 6.233 -9.460 106 H ALA 20 H ALA 20 10.411 3.142 -10.231 107 HA ALA 20 HA ALA 20 9.453 1.452 -8.197 108 HB1 ALA 20 HB1 ALA 20 8.597 1.409 -10.489 109 HB2 ALA 20 HB2 ALA 20 9.122 -0.191 -9.967 110 HB3 ALA 20 HB3 ALA 20 10.136 0.758 -11.052 111 H GLN 21 H GLN 21 10.817 0.758 -6.720 112 HA GLN 21 HA GLN 21 13.275 -0.630 -7.513 113 HB2 GLN 21 HB2 GLN 21 12.311 0.409 -4.837 114 HB3 GLN 21 HB3 GLN 21 13.804 -0.490 -5.062 115 HG2 GLN 21 HG2 GLN 21 14.662 1.262 -6.505 116 HG3 GLN 21 HG3 GLN 21 13.149 2.153 -6.344 117 HE21 GLN 21 HE21 GLN 21 14.167 3.935 -5.486 118 HE22 GLN 21 HE22 GLN 21 14.805 3.962 -3.882 119 HA PRO 22 HA PRO 22 11.683 -4.632 -6.022 120 HB2 PRO 22 HB2 PRO 22 13.782 -4.591 -3.913 121 HB3 PRO 22 HB3 PRO 22 13.403 -5.848 -5.096 122 HG2 PRO 22 HG2 PRO 22 15.567 -4.313 -5.377 123 HG3 PRO 22 HG3 PRO 22 14.607 -4.809 -6.784 124 HD2 PRO 22 HD2 PRO 22 14.694 -2.176 -5.379 125 HD3 PRO 22 HD3 PRO 22 14.527 -2.524 -7.112 126 H LEU 23 H LEU 23 10.120 -5.125 -4.516 127 HA LEU 23 HA LEU 23 8.865 -3.020 -3.273 128 HB2 LEU 23 HB2 LEU 23 7.783 -5.137 -3.848 129 HB3 LEU 23 HB3 LEU 23 8.641 -5.940 -2.550 130 HG LEU 23 HG LEU 23 7.460 -4.508 -0.919 131 HD11 LEU 23 HD11 LEU 23 5.482 -3.238 -1.710 132 HD12 LEU 23 HD12 LEU 23 6.021 -3.501 -3.367 133 HD13 LEU 23 HD13 LEU 23 7.016 -2.561 -2.252 134 HD21 LEU 23 HD21 LEU 23 6.585 -6.714 -1.460 135 HD22 LEU 23 HD22 LEU 23 5.668 -6.031 -2.802 136 HD23 LEU 23 HD23 LEU 23 5.271 -5.580 -1.145 137 H GLN 24 H GLN 24 11.005 -5.398 -1.757 138 HA GLN 24 HA GLN 24 10.688 -4.539 0.894 139 HB2 GLN 24 HB2 GLN 24 12.998 -5.912 -0.471 140 HB3 GLN 24 HB3 GLN 24 12.897 -5.669 1.268 141 HG2 GLN 24 HG2 GLN 24 10.914 -7.025 1.390 142 HG3 GLN 24 HG3 GLN 24 10.870 -7.180 -0.364 143 HE21 GLN 24 HE21 GLN 24 12.334 -8.524 -1.387 144 HE22 GLN 24 HE22 GLN 24 13.247 -9.718 -0.530 145 H SER 25 H SER 25 12.745 -3.347 -1.682 146 HA SER 25 HA SER 25 14.175 -1.566 0.116 147 HB2 SER 25 HB2 SER 25 15.371 -2.659 -1.765 148 HB3 SER 25 HB3 SER 25 14.324 -1.812 -2.902 149 HG SER 25 HG SER 25 15.188 0.143 -2.209 150 H ALA 26 H ALA 26 11.528 -1.531 -2.123 151 HA ALA 26 HA ALA 26 11.335 1.220 -2.644 152 HB1 ALA 26 HB1 ALA 26 10.099 -0.500 -3.891 153 HB2 ALA 26 HB2 ALA 26 9.034 0.769 -3.282 154 HB3 ALA 26 HB3 ALA 26 9.097 -0.798 -2.467 155 H MET 27 H MET 27 9.530 -0.737 -0.263 156 HA MET 27 HA MET 27 8.474 1.577 1.038 157 HB2 MET 27 HB2 MET 27 8.628 -1.284 1.994 158 HB3 MET 27 HB3 MET 27 7.740 -0.001 2.804 159 HG2 MET 27 HG2 MET 27 6.515 0.253 0.545 160 HG3 MET 27 HG3 MET 27 7.156 -1.353 0.209 161 HE1 MET 27 HE1 MET 27 4.842 -2.566 -0.007 162 HE2 MET 27 HE2 MET 27 4.127 -0.957 0.082 163 HE3 MET 27 HE3 MET 27 3.492 -2.261 1.085 164 H LEU 28 H LEU 28 11.383 -0.263 1.353 165 HA LEU 28 HA LEU 28 12.170 0.487 3.917 166 HB2 LEU 28 HB2 LEU 28 13.318 -1.151 2.449 167 HB3 LEU 28 HB3 LEU 28 13.909 0.175 1.468 168 HG LEU 28 HG LEU 28 14.583 0.054 4.388 169 HD11 LEU 28 HD11 LEU 28 16.614 -1.192 3.787 170 HD12 LEU 28 HD12 LEU 28 15.988 -1.402 2.153 171 HD13 LEU 28 HD13 LEU 28 15.150 -2.138 3.520 172 HD21 LEU 28 HD21 LEU 28 16.033 1.126 1.968 173 HD22 LEU 28 HD22 LEU 28 16.575 1.245 3.642 174 HD23 LEU 28 HD23 LEU 28 15.112 2.085 3.125 175 H ARG 29 H ARG 29 12.224 2.236 0.882 176 HA ARG 29 HA ARG 29 13.750 4.452 1.790 177 HB2 ARG 29 HB2 ARG 29 11.819 4.184 -0.517 178 HB3 ARG 29 HB3 ARG 29 12.867 5.571 -0.253 179 HG2 ARG 29 HG2 ARG 29 13.820 2.749 -0.692 180 HG3 ARG 29 HG3 ARG 29 13.743 4.002 -1.932 181 HD2 ARG 29 HD2 ARG 29 15.374 4.122 0.602 182 HD3 ARG 29 HD3 ARG 29 15.997 3.778 -1.010 183 HE ARG 29 HE ARG 29 14.656 6.208 -1.153 184 HH11 ARG 29 HH11 ARG 29 17.452 4.886 0.477 185 HH12 ARG 29 HH12 ARG 29 18.303 6.394 0.520 186 HH21 ARG 29 HH21 ARG 29 15.773 8.199 -1.107 187 HH22 ARG 29 HH22 ARG 29 17.359 8.277 -0.406 188 H PHE 30 H PHE 30 10.251 4.083 1.209 189 HA PHE 30 HA PHE 30 9.717 6.685 2.318 190 HB2 PHE 30 HB2 PHE 30 8.311 6.110 0.520 191 HB3 PHE 30 HB3 PHE 30 7.981 4.510 1.173 192 HD1 PHE 30 HD2 PHE 30 7.615 8.056 2.308 193 HD2 PHE 30 HD1 PHE 30 5.860 4.197 1.962 194 HE1 PHE 30 HE2 PHE 30 5.561 8.900 3.361 195 HE2 PHE 30 HE1 PHE 30 3.804 5.035 3.021 196 HZ PHE 30 HZ PHE 30 3.651 7.389 3.722 197 H ALA 31 H ALA 31 9.045 3.336 3.302 198 HA ALA 31 HA ALA 31 7.339 4.084 5.428 199 HB1 ALA 31 HB1 ALA 31 7.392 1.761 6.088 200 HB2 ALA 31 HB2 ALA 31 8.785 1.472 5.046 201 HB3 ALA 31 HB3 ALA 31 7.226 1.893 4.337 202 H GLU 32 H GLU 32 10.830 3.661 5.241 203 HA GLU 32 HA GLU 32 11.294 3.463 8.016 204 HB2 GLU 32 HB2 GLU 32 13.549 4.185 7.610 205 HB3 GLU 32 HB3 GLU 32 13.058 3.121 6.302 206 HG2 GLU 32 HG2 GLU 32 12.889 4.882 4.776 207 HG3 GLU 32 HG3 GLU 32 12.887 6.100 6.051 208 H GLN 33 H GLN 33 10.570 6.200 5.968 209 HA GLN 33 HA GLN 33 11.122 8.173 7.987 210 HB2 GLN 33 HB2 GLN 33 9.523 8.412 5.427 211 HB3 GLN 33 HB3 GLN 33 10.060 9.753 6.429 212 HG2 GLN 33 HG2 GLN 33 12.397 9.115 5.976 213 HG3 GLN 33 HG3 GLN 33 11.815 7.842 4.905 214 HE21 GLN 33 HE21 GLN 33 12.208 11.259 5.349 215 HE22 GLN 33 HE22 GLN 33 11.893 11.716 3.711 216 H ALA 34 H ALA 34 8.639 5.995 7.348 217 HA ALA 34 HA ALA 34 6.697 7.546 8.924 218 HB1 ALA 34 HB1 ALA 34 5.927 6.795 6.715 219 HB2 ALA 34 HB2 ALA 34 4.992 6.069 8.023 220 HB3 ALA 34 HB3 ALA 34 6.225 5.122 7.190 221 H GLY 35 H GLY 35 9.079 5.468 9.482 222 HA2 GLY 35 HA2 GLY 35 9.611 4.190 11.316 223 HA3 GLY 35 HA3 GLY 35 8.102 4.720 12.039 224 H MET 36 H MET 36 8.342 3.010 8.983 225 HA MET 36 HA MET 36 7.362 0.556 10.246 226 HB2 MET 36 HB2 MET 36 5.969 2.064 8.033 227 HB3 MET 36 HB3 MET 36 5.663 0.365 8.360 228 HG2 MET 36 HG2 MET 36 4.917 0.928 10.612 229 HG3 MET 36 HG3 MET 36 5.233 2.631 10.294 230 HE1 MET 36 HE1 MET 36 3.854 4.127 8.695 231 HE2 MET 36 HE2 MET 36 2.549 3.553 7.658 232 HE3 MET 36 HE3 MET 36 4.210 3.060 7.336 233 H GLN 37 H GLN 37 7.160 -1.201 8.466 234 HA GLN 37 HA GLN 37 8.992 -0.866 6.240 235 HB2 GLN 37 HB2 GLN 37 10.330 -1.609 8.280 236 HB3 GLN 37 HB3 GLN 37 9.410 -3.105 8.228 237 HG2 GLN 37 HG2 GLN 37 10.295 -3.614 6.038 238 HG3 GLN 37 HG3 GLN 37 11.155 -2.071 5.999 239 HE21 GLN 37 HE21 GLN 37 13.161 -3.031 5.812 240 HE22 GLN 37 HE22 GLN 37 13.916 -3.872 7.119 241 H VAL 38 H VAL 38 8.810 -2.757 4.743 242 HA VAL 38 HA VAL 38 6.035 -3.479 4.578 243 HB VAL 38 HB VAL 38 7.067 -2.889 2.515 244 HG11 VAL 38 HG11 VAL 38 9.392 -3.398 3.100 245 HG12 VAL 38 HG12 VAL 38 8.940 -4.053 1.526 246 HG13 VAL 38 HG13 VAL 38 9.049 -5.121 2.928 247 HG21 VAL 38 HG21 VAL 38 6.622 -5.870 2.582 248 HG22 VAL 38 HG22 VAL 38 6.647 -4.873 1.130 249 HG23 VAL 38 HG23 VAL 38 5.390 -4.631 2.342 250 H PHE 39 H PHE 39 5.092 -5.292 5.146 251 HA PHE 39 HA PHE 39 6.797 -7.560 5.945 252 HB2 PHE 39 HB2 PHE 39 5.674 -6.308 7.843 253 HB3 PHE 39 HB3 PHE 39 4.128 -6.828 7.178 254 HD1 PHE 39 HD1 PHE 39 3.503 -9.212 7.224 255 HD2 PHE 39 HD2 PHE 39 7.082 -7.803 9.042 256 HE1 PHE 39 HE1 PHE 39 3.683 -11.313 8.486 257 HE2 PHE 39 HE2 PHE 39 7.268 -9.903 10.309 258 HZ PHE 39 HZ PHE 39 5.569 -11.661 10.030 259 H PHE 40 H PHE 40 6.168 -9.571 5.275 260 HA PHE 40 HA PHE 40 3.646 -9.848 3.846 261 HB2 PHE 40 HB2 PHE 40 4.848 -10.951 1.920 262 HB3 PHE 40 HB3 PHE 40 5.069 -9.212 2.042 263 HD1 PHE 40 HD1 PHE 40 7.229 -8.304 2.870 264 HD2 PHE 40 HD2 PHE 40 6.677 -12.445 2.065 265 HE1 PHE 40 HE1 PHE 40 9.669 -8.612 2.795 266 HE2 PHE 40 HE2 PHE 40 9.114 -12.761 1.994 267 HZ PHE 40 HZ PHE 40 10.615 -10.842 2.359 268 H ASP 41 H ASP 41 2.724 -11.751 4.147 269 HA ASP 41 HA ASP 41 4.006 -13.657 5.899 270 HB2 ASP 41 HB2 ASP 41 1.236 -13.405 4.759 271 HB3 ASP 41 HB3 ASP 41 1.748 -14.878 5.571 272 H GLU 42 H GLU 42 2.122 -14.133 2.942 273 HA GLU 42 HA GLU 42 4.045 -16.235 2.184 274 HB2 GLU 42 HB2 GLU 42 1.109 -16.079 1.471 275 HB3 GLU 42 HB3 GLU 42 2.211 -17.386 1.068 276 HG2 GLU 42 HG2 GLU 42 2.416 -18.015 3.362 277 HG3 GLU 42 HG3 GLU 42 1.509 -16.595 3.881 278 H VAL 43 H VAL 43 5.318 -14.760 1.068 279 HA VAL 43 HA VAL 43 4.350 -14.162 -1.615 280 HB VAL 43 HB VAL 43 5.677 -12.070 0.135 281 HG11 VAL 43 HG11 VAL 43 6.536 -11.996 -2.144 282 HG12 VAL 43 HG12 VAL 43 5.523 -10.592 -1.807 283 HG13 VAL 43 HG13 VAL 43 4.890 -11.925 -2.774 284 HG21 VAL 43 HG21 VAL 43 3.647 -10.754 -0.230 285 HG22 VAL 43 HG22 VAL 43 3.285 -12.280 0.577 286 HG23 VAL 43 HG23 VAL 43 2.942 -12.089 -1.142 287 H LYS 44 H LYS 44 5.738 -15.299 -2.804 288 HA LYS 44 HA LYS 44 8.595 -15.094 -2.137 289 HB2 LYS 44 HB2 LYS 44 7.568 -17.342 -1.574 290 HB3 LYS 44 HB3 LYS 44 7.299 -17.562 -3.298 291 HG2 LYS 44 HG2 LYS 44 9.704 -17.384 -3.699 292 HG3 LYS 44 HG3 LYS 44 9.975 -17.164 -1.971 293 HD2 LYS 44 HD2 LYS 44 10.422 -19.450 -2.479 294 HD3 LYS 44 HD3 LYS 44 8.891 -19.393 -1.608 295 HE2 LYS 44 HE2 LYS 44 8.689 -20.926 -3.448 296 HE3 LYS 44 HE3 LYS 44 7.700 -19.505 -3.777 297 HZ1 LYS 44 HZ1 LYS 44 10.387 -20.072 -4.908 298 HZ2 LYS 44 HZ2 LYS 44 9.497 -18.662 -5.188 299 HZ3 LYS 44 HZ3 LYS 44 8.916 -20.151 -5.739 300 H LEU 45 H LEU 45 8.827 -13.440 -3.620 301 HA LEU 45 HA LEU 45 9.059 -14.386 -6.374 302 HB2 LEU 45 HB2 LEU 45 6.908 -12.980 -5.915 303 HB3 LEU 45 HB3 LEU 45 8.009 -11.623 -5.820 304 HG LEU 45 HG LEU 45 7.743 -13.415 -8.239 305 HD11 LEU 45 HD11 LEU 45 6.547 -10.700 -7.713 306 HD12 LEU 45 HD12 LEU 45 5.665 -12.221 -7.844 307 HD13 LEU 45 HD13 LEU 45 6.504 -11.565 -9.250 308 HD21 LEU 45 HD21 LEU 45 8.936 -11.621 -9.397 309 HD22 LEU 45 HD22 LEU 45 9.905 -12.295 -8.086 310 HD23 LEU 45 HD23 LEU 45 9.095 -10.743 -7.876 311 H ASP 46 H ASP 46 11.216 -14.407 -6.395 312 HA ASP 46 HA ASP 46 12.862 -12.680 -4.906 313 HB2 ASP 46 HB2 ASP 46 13.533 -14.387 -7.311 314 HB3 ASP 46 HB3 ASP 46 14.716 -13.627 -6.252 315 H GLY 47 H GLY 47 13.188 -10.603 -5.226 316 HA2 GLY 47 HA2 GLY 47 13.965 -8.729 -6.380 317 HA3 GLY 47 HA3 GLY 47 13.821 -9.626 -7.885 318 H MET 48 H MET 48 11.130 -9.611 -5.731 319 HA MET 48 HA MET 48 9.239 -8.740 -7.538 320 HB2 MET 48 HB2 MET 48 8.766 -9.815 -5.347 321 HB3 MET 48 HB3 MET 48 9.186 -8.309 -4.544 322 HG2 MET 48 HG2 MET 48 7.330 -7.186 -5.632 323 HG3 MET 48 HG3 MET 48 6.920 -8.672 -6.491 324 HE1 MET 48 HE1 MET 48 3.991 -8.351 -3.906 325 HE2 MET 48 HE2 MET 48 4.420 -8.523 -5.608 326 HE3 MET 48 HE3 MET 48 4.805 -7.033 -4.747 327 H GLN 49 H GLN 49 8.872 -6.847 -8.500 328 HA GLN 49 HA GLN 49 10.174 -4.463 -7.375 329 HB2 GLN 49 HB2 GLN 49 10.902 -5.254 -9.628 330 HB3 GLN 49 HB3 GLN 49 9.271 -4.965 -10.215 331 HG2 GLN 49 HG2 GLN 49 9.505 -2.589 -9.704 332 HG3 GLN 49 HG3 GLN 49 11.140 -2.880 -9.110 333 HE21 GLN 49 HE21 GLN 49 9.098 -2.668 -11.900 334 HE22 GLN 49 HE22 GLN 49 10.365 -2.644 -13.076 335 H ALA 50 H ALA 50 9.075 -2.520 -7.232 336 HA ALA 50 HA ALA 50 6.177 -2.714 -7.081 337 HB1 ALA 50 HB1 ALA 50 8.026 -0.428 -6.391 338 HB2 ALA 50 HB2 ALA 50 7.421 -1.640 -5.261 339 HB3 ALA 50 HB3 ALA 50 6.302 -0.513 -6.029 340 H ALA 51 H ALA 51 5.370 -0.161 -7.692 341 HA ALA 51 HA ALA 51 5.789 -0.107 -10.603 342 HB1 ALA 51 HB1 ALA 51 3.493 -0.545 -9.870 343 HB2 ALA 51 HB2 ALA 51 3.613 0.985 -10.737 344 HB3 ALA 51 HB3 ALA 51 3.489 0.975 -8.978 345 H ALA 52 H ALA 52 5.302 2.195 -11.507 346 HA ALA 52 HA ALA 52 7.312 3.926 -10.425 347 HB1 ALA 52 HB1 ALA 52 5.401 4.372 -12.716 348 HB2 ALA 52 HB2 ALA 52 7.023 3.691 -12.836 349 HB3 ALA 52 HB3 ALA 52 6.807 5.366 -12.332 350 H LEU 53 H LEU 53 6.634 4.638 -8.443 351 HA LEU 53 HA LEU 53 4.069 5.921 -8.114 352 HB2 LEU 53 HB2 LEU 53 5.193 4.548 -6.346 353 HB3 LEU 53 HB3 LEU 53 6.416 5.790 -6.216 354 HG LEU 53 HG LEU 53 4.623 5.791 -4.430 355 HD11 LEU 53 HD11 LEU 53 5.009 8.291 -6.051 356 HD12 LEU 53 HD12 LEU 53 6.044 7.707 -4.749 357 HD13 LEU 53 HD13 LEU 53 4.395 8.227 -4.400 358 HD21 LEU 53 HD21 LEU 53 2.707 5.332 -5.874 359 HD22 LEU 53 HD22 LEU 53 2.938 6.885 -6.678 360 HD23 LEU 53 HD23 LEU 53 2.491 6.833 -4.973 361 H ASN 54 H ASN 54 3.820 7.844 -9.045 362 HA ASN 54 HA ASN 54 5.646 9.990 -8.270 363 HB2 ASN 54 HB2 ASN 54 4.740 9.590 -11.137 364 HB3 ASN 54 HB3 ASN 54 5.699 10.933 -10.534 365 HD21 ASN 54 HD21 ASN 54 7.867 10.562 -9.942 366 HD22 ASN 54 HD22 ASN 54 8.730 9.186 -10.535 367 H GLY 55 H GLY 55 4.122 11.000 -6.981 368 HA2 GLY 55 HA2 GLY 55 2.171 12.597 -8.209 369 HA3 GLY 55 HA3 GLY 55 1.378 11.155 -7.602 370 H SER 56 H SER 56 0.844 13.786 -6.757 371 HA SER 56 HA SER 56 1.832 13.777 -3.995 372 HB2 SER 56 HB2 SER 56 1.983 15.909 -5.298 373 HB3 SER 56 HB3 SER 56 0.226 15.904 -5.440 374 HG SER 56 HG SER 56 1.835 16.559 -3.296 375 H MET 57 H MET 57 0.620 12.341 -2.899 376 HA MET 57 HA MET 57 -2.236 12.778 -2.712 377 HB2 MET 57 HB2 MET 57 -2.763 10.391 -3.196 378 HB3 MET 57 HB3 MET 57 -2.191 11.286 -4.594 379 HG2 MET 57 HG2 MET 57 0.087 10.324 -4.142 380 HG3 MET 57 HG3 MET 57 -0.684 9.273 -2.953 381 HE1 MET 57 HE1 MET 57 -2.152 10.494 -6.423 382 HE2 MET 57 HE2 MET 57 -1.594 9.196 -7.477 383 HE3 MET 57 HE3 MET 57 -0.427 10.277 -6.715 384 H SER 58 H SER 58 -3.063 10.699 -1.247 385 HA SER 58 HA SER 58 -1.529 11.088 1.182 386 HB2 SER 58 HB2 SER 58 -4.135 9.602 0.790 387 HB3 SER 58 HB3 SER 58 -3.455 10.162 2.319 388 HG SER 58 HG SER 58 -3.766 12.275 1.658 389 H VAL 59 H VAL 59 -1.620 8.955 2.676 390 HA VAL 59 HA VAL 59 0.279 7.215 1.528 391 HB VAL 59 HB VAL 59 -0.019 7.722 3.979 392 HG11 VAL 59 HG11 VAL 59 -2.391 7.336 4.207 393 HG12 VAL 59 HG12 VAL 59 -1.482 6.288 5.296 394 HG13 VAL 59 HG13 VAL 59 -2.168 5.632 3.810 395 HG21 VAL 59 HG21 VAL 59 1.516 6.015 3.174 396 HG22 VAL 59 HG22 VAL 59 0.214 4.825 3.202 397 HG23 VAL 59 HG23 VAL 59 0.786 5.542 4.708 398 H GLU 60 H GLU 60 -3.173 6.960 2.052 399 HA GLU 60 HA GLU 60 -3.576 4.287 1.369 400 HB2 GLU 60 HB2 GLU 60 -5.477 6.527 0.702 401 HB3 GLU 60 HB3 GLU 60 -5.869 4.845 1.007 402 HG2 GLU 60 HG2 GLU 60 -6.430 5.654 3.030 403 HG3 GLU 60 HG3 GLU 60 -4.705 5.437 3.340 404 H GLN 61 H GLN 61 -3.980 7.104 -0.770 405 HA GLN 61 HA GLN 61 -4.344 5.488 -3.076 406 HB2 GLN 61 HB2 GLN 61 -3.598 8.413 -2.902 407 HB3 GLN 61 HB3 GLN 61 -4.197 7.587 -4.334 408 HG2 GLN 61 HG2 GLN 61 -5.700 8.029 -1.764 409 HG3 GLN 61 HG3 GLN 61 -5.960 8.869 -3.291 410 HE21 GLN 61 HE21 GLN 61 -5.615 6.470 -4.899 411 HE22 GLN 61 HE22 GLN 61 -7.042 5.520 -4.671 412 H GLY 62 H GLY 62 -1.585 7.065 -1.589 413 HA2 GLY 62 HA2 GLY 62 0.237 6.841 -3.708 414 HA3 GLY 62 HA3 GLY 62 0.657 6.943 -2.005 415 H LEU 63 H LEU 63 -0.192 4.697 -0.891 416 HA LEU 63 HA LEU 63 1.756 2.836 -1.620 417 HB2 LEU 63 HB2 LEU 63 -0.472 2.971 0.274 418 HB3 LEU 63 HB3 LEU 63 -0.069 1.344 -0.221 419 HG LEU 63 HG LEU 63 1.061 1.987 1.860 420 HD11 LEU 63 HD11 LEU 63 2.919 1.623 -0.485 421 HD12 LEU 63 HD12 LEU 63 2.132 0.350 0.445 422 HD13 LEU 63 HD13 LEU 63 3.348 1.373 1.206 423 HD21 LEU 63 HD21 LEU 63 1.261 4.388 1.419 424 HD22 LEU 63 HD22 LEU 63 2.460 4.058 0.168 425 HD23 LEU 63 HD23 LEU 63 2.813 3.675 1.852 426 H ARG 64 H ARG 64 -1.687 2.949 -2.420 427 HA ARG 64 HA ARG 64 -1.829 0.384 -3.576 428 HB2 ARG 64 HB2 ARG 64 -3.500 2.851 -4.074 429 HB3 ARG 64 HB3 ARG 64 -3.888 1.252 -4.701 430 HG2 ARG 64 HG2 ARG 64 -4.110 0.381 -2.462 431 HG3 ARG 64 HG3 ARG 64 -3.598 1.926 -1.782 432 HD2 ARG 64 HD2 ARG 64 -5.582 2.985 -2.823 433 HD3 ARG 64 HD3 ARG 64 -6.109 1.390 -3.363 434 HE ARG 64 HE ARG 64 -5.936 0.886 -0.816 435 HH11 ARG 64 HH11 ARG 64 -7.167 3.797 -2.329 436 HH12 ARG 64 HH12 ARG 64 -8.151 4.236 -0.969 437 HH21 ARG 64 HH21 ARG 64 -7.233 1.475 0.981 438 HH22 ARG 64 HH22 ARG 64 -8.192 2.920 0.903 439 H ARG 65 H ARG 65 -1.094 3.554 -4.973 440 HA ARG 65 HA ARG 65 -0.802 2.469 -7.619 441 HB2 ARG 65 HB2 ARG 65 -0.130 5.182 -6.485 442 HB3 ARG 65 HB3 ARG 65 0.029 4.756 -8.185 443 HG2 ARG 65 HG2 ARG 65 -2.377 4.294 -8.282 444 HG3 ARG 65 HG3 ARG 65 -2.524 4.761 -6.587 445 HD2 ARG 65 HD2 ARG 65 -1.799 7.006 -7.108 446 HD3 ARG 65 HD3 ARG 65 -1.509 6.554 -8.785 447 HE ARG 65 HE ARG 65 -4.220 6.148 -7.861 448 HH11 ARG 65 HH11 ARG 65 -1.964 8.355 -9.373 449 HH12 ARG 65 HH12 ARG 65 -3.197 9.280 -10.166 450 HH21 ARG 65 HH21 ARG 65 -5.852 7.376 -8.920 451 HH22 ARG 65 HH22 ARG 65 -5.400 8.719 -9.916 452 H LEU 66 H LEU 66 1.208 3.078 -4.905 453 HA LEU 66 HA LEU 66 3.735 3.174 -6.149 454 HB2 LEU 66 HB2 LEU 66 3.076 3.866 -3.793 455 HB3 LEU 66 HB3 LEU 66 3.099 2.169 -3.375 456 HG LEU 66 HG LEU 66 5.540 3.580 -4.444 457 HD11 LEU 66 HD11 LEU 66 4.629 3.271 -1.586 458 HD12 LEU 66 HD12 LEU 66 4.827 4.783 -2.472 459 HD13 LEU 66 HD13 LEU 66 6.236 3.795 -2.085 460 HD21 LEU 66 HD21 LEU 66 6.724 1.763 -3.322 461 HD22 LEU 66 HD22 LEU 66 5.576 1.125 -4.498 462 HD23 LEU 66 HD23 LEU 66 5.191 1.084 -2.777 463 H ILE 67 H ILE 67 1.914 0.506 -4.675 464 HA ILE 67 HA ILE 67 4.073 -1.342 -5.109 465 HB ILE 67 HB ILE 67 1.239 -1.951 -4.264 466 HG12 ILE 67 HG12 ILE 67 3.638 -1.459 -2.486 467 HG13 ILE 67 HG13 ILE 67 2.420 -0.235 -2.836 468 HG21 ILE 67 HG21 ILE 67 3.813 -3.481 -3.893 469 HG22 ILE 67 HG22 ILE 67 2.500 -3.903 -4.991 470 HG23 ILE 67 HG23 ILE 67 2.239 -3.946 -3.248 471 HD11 ILE 67 HD11 ILE 67 1.950 -1.222 -0.711 472 HD12 ILE 67 HD12 ILE 67 2.010 -2.843 -1.401 473 HD13 ILE 67 HD13 ILE 67 0.711 -1.740 -1.856 474 H GLY 68 H GLY 68 0.673 -1.372 -6.225 475 HA2 GLY 68 HA2 GLY 68 1.605 -2.929 -8.553 476 HA3 GLY 68 HA3 GLY 68 0.036 -3.142 -7.800 477 H GLY 69 H GLY 69 -0.630 -0.395 -7.523 478 HA2 GLY 69 HA2 GLY 69 -1.233 1.417 -8.994 479 HA3 GLY 69 HA3 GLY 69 -0.998 0.332 -10.349 480 H ASN 70 H ASN 70 -2.447 -1.611 -8.281 481 HA ASN 70 HA ASN 70 -5.103 -1.035 -9.383 482 HB2 ASN 70 HB2 ASN 70 -3.979 -3.565 -8.153 483 HB3 ASN 70 HB3 ASN 70 -5.622 -3.389 -8.754 484 HD21 ASN 70 HD21 ASN 70 -3.638 -5.260 -9.613 485 HD22 ASN 70 HD22 ASN 70 -3.344 -4.957 -11.290 486 HA PRO 71 HA PRO 71 -6.700 -0.071 -5.356 487 HB2 PRO 71 HB2 PRO 71 -9.278 -1.240 -5.973 488 HB3 PRO 71 HB3 PRO 71 -8.832 0.464 -5.887 489 HG2 PRO 71 HG2 PRO 71 -9.493 -0.811 -8.211 490 HG3 PRO 71 HG3 PRO 71 -8.428 0.603 -8.132 491 HD2 PRO 71 HD2 PRO 71 -7.725 -2.291 -8.406 492 HD3 PRO 71 HD3 PRO 71 -6.996 -0.872 -9.186 493 H VAL 72 H VAL 72 -5.657 -1.425 -3.958 494 HA VAL 72 HA VAL 72 -7.135 -3.787 -3.081 495 HB VAL 72 HB VAL 72 -4.132 -3.891 -3.112 496 HG11 VAL 72 HG11 VAL 72 -5.322 -5.520 -1.765 497 HG12 VAL 72 HG12 VAL 72 -4.552 -6.318 -3.137 498 HG13 VAL 72 HG13 VAL 72 -6.286 -6.002 -3.161 499 HG21 VAL 72 HG21 VAL 72 -5.904 -4.761 -5.394 500 HG22 VAL 72 HG22 VAL 72 -4.191 -5.141 -5.229 501 HG23 VAL 72 HG23 VAL 72 -4.706 -3.467 -5.434 502 H ALA 73 H ALA 73 -6.271 -4.387 -0.763 503 HA ALA 73 HA ALA 73 -6.282 -1.749 0.529 504 HB1 ALA 73 HB1 ALA 73 -8.353 -3.022 0.751 505 HB2 ALA 73 HB2 ALA 73 -7.567 -2.767 2.311 506 HB3 ALA 73 HB3 ALA 73 -7.457 -4.336 1.514 507 H PHE 74 H PHE 74 -4.551 -1.241 1.616 508 HA PHE 74 HA PHE 74 -2.917 -3.404 2.743 509 HB2 PHE 74 HB2 PHE 74 -1.003 -1.948 2.588 510 HB3 PHE 74 HB3 PHE 74 -1.812 -1.948 1.024 511 HD1 PHE 74 HD1 PHE 74 -3.409 -0.006 0.530 512 HD2 PHE 74 HD2 PHE 74 -0.553 0.047 3.684 513 HE1 PHE 74 HE1 PHE 74 -3.546 2.446 0.611 514 HE2 PHE 74 HE2 PHE 74 -0.690 2.504 3.761 515 HZ PHE 74 HZ PHE 74 -2.174 3.697 2.240 516 H ARG 75 H ARG 75 -2.183 -3.205 4.860 517 HA ARG 75 HA ARG 75 -3.704 -1.267 6.470 518 HB2 ARG 75 HB2 ARG 75 -3.028 -4.148 7.092 519 HB3 ARG 75 HB3 ARG 75 -3.745 -3.030 8.245 520 HG2 ARG 75 HG2 ARG 75 -5.720 -2.812 6.879 521 HG3 ARG 75 HG3 ARG 75 -4.994 -3.806 5.616 522 HD2 ARG 75 HD2 ARG 75 -5.513 -4.774 8.418 523 HD3 ARG 75 HD3 ARG 75 -6.644 -4.990 7.085 524 HE ARG 75 HE ARG 75 -4.732 -6.221 5.972 525 HH11 ARG 75 HH11 ARG 75 -5.096 -6.091 9.460 526 HH12 ARG 75 HH12 ARG 75 -4.303 -7.611 9.720 527 HH21 ARG 75 HH21 ARG 75 -3.701 -8.222 6.322 528 HH22 ARG 75 HH22 ARG 75 -3.512 -8.824 7.940 529 H LEU 76 H LEU 76 -2.351 0.198 7.233 530 HA LEU 76 HA LEU 76 0.441 -0.352 7.657 531 HB2 LEU 76 HB2 LEU 76 -1.187 2.074 8.429 532 HB3 LEU 76 HB3 LEU 76 0.561 1.977 8.399 533 HG LEU 76 HG LEU 76 -1.172 1.675 5.945 534 HD11 LEU 76 HD11 LEU 76 -0.532 3.960 5.399 535 HD12 LEU 76 HD12 LEU 76 0.321 4.102 6.936 536 HD13 LEU 76 HD13 LEU 76 -1.432 3.907 6.914 537 HD21 LEU 76 HD21 LEU 76 1.044 0.633 5.808 538 HD22 LEU 76 HD22 LEU 76 1.788 2.164 6.265 539 HD23 LEU 76 HD23 LEU 76 0.916 2.030 4.736 540 H GLN 77 H GLN 77 0.806 -1.742 9.282 541 HA GLN 77 HA GLN 77 -0.811 -1.766 11.657 542 HB2 GLN 77 HB2 GLN 77 1.703 -3.286 10.957 543 HB3 GLN 77 HB3 GLN 77 0.706 -3.589 12.372 544 HG2 GLN 77 HG2 GLN 77 -0.184 -3.872 9.511 545 HG3 GLN 77 HG3 GLN 77 0.288 -5.194 10.579 546 HE21 GLN 77 HE21 GLN 77 -2.237 -4.683 9.222 547 HE22 GLN 77 HE22 GLN 77 -3.443 -4.620 10.459 548 HA PRO 78 HA PRO 78 1.731 1.042 14.056 549 HB2 PRO 78 HB2 PRO 78 0.492 -0.246 16.390 550 HB3 PRO 78 HB3 PRO 78 0.398 1.434 15.857 551 HG2 PRO 78 HG2 PRO 78 -1.704 -0.231 15.683 552 HG3 PRO 78 HG3 PRO 78 -1.404 1.035 14.478 553 HD2 PRO 78 HD2 PRO 78 -0.847 -1.903 14.320 554 HD3 PRO 78 HD3 PRO 78 -1.500 -0.808 13.083 555 H GLN 79 H GLN 79 2.176 -2.096 13.609 556 HA GLN 79 HA GLN 79 4.073 -2.550 15.792 557 HB2 GLN 79 HB2 GLN 79 3.172 -4.448 13.615 558 HB3 GLN 79 HB3 GLN 79 4.085 -4.864 15.060 559 HG2 GLN 79 HG2 GLN 79 2.205 -4.362 16.461 560 HG3 GLN 79 HG3 GLN 79 1.291 -3.751 15.086 561 HE21 GLN 79 HE21 GLN 79 2.245 -5.918 13.335 562 HE22 GLN 79 HE22 GLN 79 1.350 -7.318 13.809 563 H GLY 80 H GLY 80 4.224 -0.850 13.165 564 HA2 GLY 80 HA2 GLY 80 6.004 -0.145 11.869 565 HA3 GLY 80 HA3 GLY 80 7.007 -1.352 12.659 566 H GLN 81 H GLN 81 3.996 -1.926 10.902 567 HA GLN 81 HA GLN 81 5.522 -3.419 8.886 568 HB2 GLN 81 HB2 GLN 81 3.215 -4.497 10.508 569 HB3 GLN 81 HB3 GLN 81 3.886 -5.287 9.091 570 HG2 GLN 81 HG2 GLN 81 5.968 -5.644 10.189 571 HG3 GLN 81 HG3 GLN 81 5.471 -4.654 11.561 572 HE21 GLN 81 HE21 GLN 81 5.821 -6.325 12.998 573 HE22 GLN 81 HE22 GLN 81 4.758 -7.688 13.113 574 H ILE 82 H ILE 82 4.880 -2.917 6.912 575 HA ILE 82 HA ILE 82 2.112 -2.026 6.490 576 HB ILE 82 HB ILE 82 4.439 -1.930 4.553 577 HG12 ILE 82 HG12 ILE 82 3.185 0.262 6.224 578 HG13 ILE 82 HG13 ILE 82 4.801 -0.405 6.431 579 HG21 ILE 82 HG21 ILE 82 1.663 -0.758 4.395 580 HG22 ILE 82 HG22 ILE 82 2.299 -2.084 3.424 581 HG23 ILE 82 HG23 ILE 82 2.959 -0.460 3.238 582 HD11 ILE 82 HD11 ILE 82 5.434 0.464 4.239 583 HD12 ILE 82 HD12 ILE 82 4.877 1.744 5.316 584 HD13 ILE 82 HD13 ILE 82 3.817 1.139 4.044 585 H VAL 83 H VAL 83 0.795 -3.691 6.117 586 HA VAL 83 HA VAL 83 1.777 -5.869 4.394 587 HB VAL 83 HB VAL 83 0.074 -7.329 5.498 588 HG11 VAL 83 HG11 VAL 83 2.416 -7.435 6.150 589 HG12 VAL 83 HG12 VAL 83 1.369 -7.693 7.546 590 HG13 VAL 83 HG13 VAL 83 2.163 -6.136 7.315 591 HG21 VAL 83 HG21 VAL 83 -0.852 -6.647 7.646 592 HG22 VAL 83 HG22 VAL 83 -1.389 -5.567 6.358 593 HG23 VAL 83 HG23 VAL 83 -0.115 -5.056 7.467 594 H LEU 84 H LEU 84 0.495 -6.556 2.737 595 HA LEU 84 HA LEU 84 -1.794 -4.840 2.107 596 HB2 LEU 84 HB2 LEU 84 0.408 -5.124 0.660 597 HB3 LEU 84 HB3 LEU 84 -0.415 -6.564 0.095 598 HG LEU 84 HG LEU 84 -1.566 -3.777 -0.086 599 HD11 LEU 84 HD11 LEU 84 0.433 -3.994 -1.468 600 HD12 LEU 84 HD12 LEU 84 -1.025 -3.904 -2.453 601 HD13 LEU 84 HD13 LEU 84 -0.227 -5.455 -2.201 602 HD21 LEU 84 HD21 LEU 84 -2.406 -6.419 -1.239 603 HD22 LEU 84 HD22 LEU 84 -3.078 -4.858 -1.710 604 HD23 LEU 84 HD23 LEU 84 -3.272 -5.439 -0.062 605 H SER 85 H SER 85 -3.784 -5.771 1.655 606 HA SER 85 HA SER 85 -3.900 -8.705 1.883 607 HB2 SER 85 HB2 SER 85 -5.887 -6.759 3.078 608 HB3 SER 85 HB3 SER 85 -5.864 -8.510 3.281 609 HG SER 85 HG SER 85 -3.547 -7.883 4.087 610 H ARG 86 H ARG 86 -5.303 -9.716 0.509 611 HA ARG 86 HA ARG 86 -6.222 -8.150 -1.735 612 HB2 ARG 86 HB2 ARG 86 -5.170 -10.360 -2.067 613 HB3 ARG 86 HB3 ARG 86 -6.490 -11.115 -1.188 614 HG2 ARG 86 HG2 ARG 86 -6.780 -11.392 -3.576 615 HG3 ARG 86 HG3 ARG 86 -8.062 -10.384 -2.908 616 HD2 ARG 86 HD2 ARG 86 -7.325 -9.426 -4.982 617 HD3 ARG 86 HD3 ARG 86 -6.815 -8.378 -3.662 618 HE ARG 86 HE ARG 86 -4.659 -9.973 -4.064 619 HH11 ARG 86 HH11 ARG 86 -6.590 -7.934 -6.153 620 HH12 ARG 86 HH12 ARG 86 -5.289 -7.622 -7.257 621 HH21 ARG 86 HH21 ARG 86 -2.947 -9.561 -5.522 622 HH22 ARG 86 HH22 ARG 86 -3.229 -8.562 -6.918 623 H LEU 87 H LEU 87 -7.675 -6.896 -0.410 624 HA LEU 87 HA LEU 87 -10.184 -8.272 0.279 625 HB2 LEU 87 HB2 LEU 87 -9.134 -5.636 1.314 626 HB3 LEU 87 HB3 LEU 87 -10.567 -6.478 1.871 627 HG LEU 87 HG LEU 87 -7.778 -7.595 2.138 628 HD11 LEU 87 HD11 LEU 87 -7.894 -6.922 4.478 629 HD12 LEU 87 HD12 LEU 87 -9.431 -6.113 4.174 630 HD13 LEU 87 HD13 LEU 87 -7.958 -5.523 3.404 631 HD21 LEU 87 HD21 LEU 87 -9.562 -9.257 2.169 632 HD22 LEU 87 HD22 LEU 87 -10.396 -8.349 3.430 633 HD23 LEU 87 HD23 LEU 87 -8.828 -9.085 3.762 634 HA PRO 88 HA PRO 88 -12.168 -5.985 -2.967 635 HB2 PRO 88 HB2 PRO 88 -14.698 -5.937 -1.899 636 HB3 PRO 88 HB3 PRO 88 -14.012 -7.321 -2.757 637 HG2 PRO 88 HG2 PRO 88 -14.245 -6.835 0.184 638 HG3 PRO 88 HG3 PRO 88 -14.503 -8.333 -0.730 639 HD2 PRO 88 HD2 PRO 88 -12.240 -7.875 0.656 640 HD3 PRO 88 HD3 PRO 88 -12.238 -8.784 -0.870 641 H THR 89 H THR 89 -11.468 -3.923 -2.966 642 HA THR 89 HA THR 89 -11.898 -2.111 -0.801 643 HB THR 89 HB THR 89 -11.072 -1.460 -3.639 644 HG1 THR 89 HG1 THR 89 -9.818 -3.033 -2.026 645 HG21 THR 89 HG21 THR 89 -10.586 -0.007 -1.032 646 HG22 THR 89 HG22 THR 89 -11.738 0.479 -2.276 647 HG23 THR 89 HG23 THR 89 -10.008 0.491 -2.623 648 H ALA 90 H ALA 90 -13.977 -1.628 -0.368 649 HA ALA 90 HA ALA 90 -15.859 -1.170 -2.529 650 HB1 ALA 90 HB1 ALA 90 -16.258 -1.145 0.459 651 HB2 ALA 90 HB2 ALA 90 -16.556 -2.509 -0.616 652 HB3 ALA 90 HB3 ALA 90 -17.535 -1.049 -0.754 653 H ASN 91 H ASN 91 -15.711 0.771 -3.448 654 HA ASN 91 HA ASN 91 -15.984 3.096 -1.677 655 HB2 ASN 91 HB2 ASN 91 -14.552 4.449 -3.064 656 HB3 ASN 91 HB3 ASN 91 -13.664 2.999 -2.619 657 HD21 ASN 91 HD21 ASN 91 -15.158 4.772 -5.187 658 HD22 ASN 91 HD22 ASN 91 -14.514 3.831 -6.489 659 H GLY 92 H GLY 92 -16.882 1.386 -4.529 660 HA2 GLY 92 HA2 GLY 92 -18.138 3.453 -5.973 661 HA3 GLY 92 HA3 GLY 92 -18.483 1.736 -6.130 662 H ASP 93 H ASP 93 -19.372 1.213 -3.540 663 HA ASP 93 HA ASP 93 -22.058 2.276 -3.729 664 HB2 ASP 93 HB2 ASP 93 -22.650 0.628 -2.088 665 HB3 ASP 93 HB3 ASP 93 -21.552 -0.142 -3.226 666 H GLY 94 H GLY 94 -19.392 3.579 -2.567 667 HA2 GLY 94 HA2 GLY 94 -19.322 5.535 -1.242 668 HA3 GLY 94 HA3 GLY 94 -20.809 5.025 -0.453 669 H GLY 95 H GLY 95 -19.232 2.272 -0.450 670 HA2 GLY 95 HA2 GLY 95 -17.703 1.216 0.940 671 HA3 GLY 95 HA3 GLY 95 -17.273 2.782 1.614 672 H ALA 96 H ALA 96 -20.155 0.690 1.464 673 HA ALA 96 HA ALA 96 -21.221 1.520 3.930 674 HB1 ALA 96 HB1 ALA 96 -22.540 0.362 2.218 675 HB2 ALA 96 HB2 ALA 96 -22.649 -0.448 3.780 676 HB3 ALA 96 HB3 ALA 96 -21.620 -1.113 2.513 677 H LEU 97 H LEU 97 -21.188 0.561 5.970 678 HA LEU 97 HA LEU 97 -18.608 -0.511 6.651 679 HB2 LEU 97 HB2 LEU 97 -21.016 0.127 8.354 680 HB3 LEU 97 HB3 LEU 97 -19.490 -0.444 8.994 681 HG LEU 97 HG LEU 97 -19.460 1.867 9.343 682 HD11 LEU 97 HD11 LEU 97 -17.970 1.443 6.762 683 HD12 LEU 97 HD12 LEU 97 -17.385 1.011 8.368 684 HD13 LEU 97 HD13 LEU 97 -17.664 2.702 7.956 685 HD21 LEU 97 HD21 LEU 97 -19.998 3.538 7.657 686 HD22 LEU 97 HD22 LEU 97 -21.363 2.458 7.939 687 HD23 LEU 97 HD23 LEU 97 -20.367 2.262 6.497 688 H ALA 98 H ALA 98 -20.910 -2.066 5.237 689 HA ALA 98 HA ALA 98 -21.350 -4.321 6.940 690 HB1 ALA 98 HB1 ALA 98 -22.332 -5.361 4.971 691 HB2 ALA 98 HB2 ALA 98 -21.691 -4.072 3.953 692 HB3 ALA 98 HB3 ALA 98 -22.925 -3.711 5.159 693 H LEU 99 H LEU 99 -18.849 -3.287 4.841 694 HA LEU 99 HA LEU 99 -17.664 -5.960 4.815 695 HB2 LEU 99 HB2 LEU 99 -17.132 -3.529 3.124 696 HB3 LEU 99 HB3 LEU 99 -16.080 -4.930 3.123 697 HG LEU 99 HG LEU 99 -18.991 -4.928 2.313 698 HD11 LEU 99 HD11 LEU 99 -17.585 -3.765 0.708 699 HD12 LEU 99 HD12 LEU 99 -18.112 -5.317 0.059 700 HD13 LEU 99 HD13 LEU 99 -16.470 -5.130 0.672 701 HD21 LEU 99 HD21 LEU 99 -18.518 -7.212 1.528 702 HD22 LEU 99 HD22 LEU 99 -18.345 -7.060 3.275 703 HD23 LEU 99 HD23 LEU 99 -16.912 -7.114 2.249 704 H ASP 100 H ASP 100 -17.689 -3.780 6.986 705 HA ASP 100 HA ASP 100 -14.997 -2.906 7.273 706 HB2 ASP 100 HB2 ASP 100 -16.736 -1.694 8.415 707 HB3 ASP 100 HB3 ASP 100 -17.252 -3.141 9.273 708 H SER 101 H SER 101 -16.568 -5.862 7.815 709 HA SER 101 HA SER 101 -14.895 -6.933 9.836 710 HB2 SER 101 HB2 SER 101 -15.851 -9.139 8.860 711 HB3 SER 101 HB3 SER 101 -16.972 -7.991 9.595 712 HG SER 101 HG SER 101 -17.304 -8.964 7.298 713 H LEU 102 H LEU 102 -14.045 -5.964 6.824 714 HA LEU 102 HA LEU 102 -12.542 -8.150 5.838 715 HB2 LEU 102 HB2 LEU 102 -11.774 -6.736 4.180 716 HB3 LEU 102 HB3 LEU 102 -13.306 -6.009 4.612 717 HG LEU 102 HG LEU 102 -10.606 -5.026 5.562 718 HD11 LEU 102 HD11 LEU 102 -10.867 -4.718 3.166 719 HD12 LEU 102 HD12 LEU 102 -10.969 -3.173 4.007 720 HD13 LEU 102 HD13 LEU 102 -12.437 -3.955 3.420 721 HD21 LEU 102 HD21 LEU 102 -12.397 -4.475 7.119 722 HD22 LEU 102 HD22 LEU 102 -13.351 -3.798 5.799 723 HD23 LEU 102 HD23 LEU 102 -11.834 -3.033 6.274 724 H THR 103 H THR 103 -11.950 -5.875 8.339 725 HA THR 103 HA THR 103 -9.145 -5.828 8.367 726 HB THR 103 HB THR 103 -10.958 -5.650 10.778 727 HG1 THR 103 HG1 THR 103 -10.144 -3.576 8.988 728 HG21 THR 103 HG21 THR 103 -8.248 -4.441 10.200 729 HG22 THR 103 HG22 THR 103 -8.570 -5.780 11.303 730 HG23 THR 103 HG23 THR 103 -9.205 -4.173 11.656 731 H VAL 104 H VAL 104 -11.469 -8.025 9.844 732 HA VAL 104 HA VAL 104 -9.279 -9.706 10.815 733 HB VAL 104 HB VAL 104 -11.028 -11.019 11.973 734 HG11 VAL 104 HG11 VAL 104 -11.594 -9.324 13.658 735 HG12 VAL 104 HG12 VAL 104 -11.097 -8.056 12.538 736 HG13 VAL 104 HG13 VAL 104 -9.910 -9.209 13.148 737 HG21 VAL 104 HG21 VAL 104 -12.911 -8.901 10.932 738 HG22 VAL 104 HG22 VAL 104 -13.316 -10.154 12.105 739 HG23 VAL 104 HG23 VAL 104 -12.890 -10.598 10.453 740 H LEU 105 H LEU 105 -9.281 -11.977 10.314 741 HA LEU 105 HA LEU 105 -9.215 -13.699 8.838 742 HB2 LEU 105 HB2 LEU 105 -11.656 -13.708 9.283 743 HB3 LEU 105 HB3 LEU 105 -11.889 -12.604 7.944 744 HG LEU 105 HG LEU 105 -11.070 -14.331 6.387 745 HD11 LEU 105 HD11 LEU 105 -10.777 -16.623 7.156 746 HD12 LEU 105 HD12 LEU 105 -11.017 -16.103 8.823 747 HD13 LEU 105 HD13 LEU 105 -9.610 -15.544 7.918 748 HD21 LEU 105 HD21 LEU 105 -13.455 -14.116 6.809 749 HD22 LEU 105 HD22 LEU 105 -13.327 -15.219 8.178 750 HD23 LEU 105 HD23 LEU 105 -13.018 -15.803 6.543 751 H GLY 106 H GLY 106 -8.094 -11.104 8.191 752 HA2 GLY 106 HA2 GLY 106 -8.624 -10.385 5.505 753 HA3 GLY 106 HA3 GLY 106 -7.228 -9.892 6.451 754 H ALA 107 H ALA 107 -8.071 -11.362 3.705 755 HA ALA 107 HA ALA 107 -6.143 -13.508 3.699 756 HB1 ALA 107 HB1 ALA 107 -8.201 -13.661 2.370 757 HB2 ALA 107 HB2 ALA 107 -6.763 -13.785 1.358 758 HB3 ALA 107 HB3 ALA 107 -7.679 -12.279 1.409 759 H GLY 108 H GLY 108 -4.048 -13.002 3.731 760 HA2 GLY 108 HA2 GLY 108 -2.980 -10.541 2.822 761 HA3 GLY 108 HA3 GLY 108 -2.053 -11.979 3.234 762 H GLY 109 H GLY 109 -1.932 -9.974 0.966 763 HA2 GLY 109 HA2 GLY 109 -1.253 -11.848 -1.072 764 HA3 GLY 109 HA3 GLY 109 -2.756 -11.016 -1.450 765 H ASN 110 H ASN 110 -1.269 -10.392 -3.308 766 HA ASN 110 HA ASN 110 0.471 -8.147 -2.580 767 HB2 ASN 110 HB2 ASN 110 1.459 -8.336 -4.767 768 HB3 ASN 110 HB3 ASN 110 1.390 -9.946 -4.064 769 HD21 ASN 110 HD21 ASN 110 1.518 -9.000 -6.858 770 HD22 ASN 110 HD22 ASN 110 0.169 -9.725 -7.666 771 H ASN 111 H ASN 111 0.396 -6.601 -4.834 772 HA ASN 111 HA ASN 111 -2.258 -5.424 -4.587 773 HB2 ASN 111 HB2 ASN 111 -0.141 -4.054 -4.401 774 HB3 ASN 111 HB3 ASN 111 0.117 -4.345 -6.116 775 HD21 ASN 111 HD21 ASN 111 -1.501 -2.483 -3.769 776 HD22 ASN 111 HD22 ASN 111 -2.406 -1.493 -4.856 777 H ALA 112 H ALA 112 -0.023 -6.316 -7.216 778 HA ALA 112 HA ALA 112 -2.179 -6.173 -9.149 779 HB1 ALA 112 HB1 ALA 112 0.727 -6.893 -9.510 780 HB2 ALA 112 HB2 ALA 112 0.013 -5.300 -9.754 781 HB3 ALA 112 HB3 ALA 112 -0.441 -6.640 -10.807 Start of MODEL 8 1 H1 SER 6 H1 SER 6 -14.906 18.197 5.571 2 H2 SER 6 H2 SER 6 -15.268 18.606 3.974 3 H3 SER 6 H3 SER 6 -15.020 19.820 5.121 4 HA SER 6 HA SER 6 -13.114 19.570 3.670 5 HB2 SER 6 HB2 SER 6 -12.808 20.325 6.010 6 HB3 SER 6 HB3 SER 6 -12.597 18.648 6.508 7 HG SER 6 HG SER 6 -10.633 19.930 6.096 8 H MET 7 H MET 7 -11.893 18.262 2.469 9 HA MET 7 HA MET 7 -11.731 15.425 3.231 10 HB2 MET 7 HB2 MET 7 -13.349 15.787 1.356 11 HB3 MET 7 HB3 MET 7 -12.035 16.455 0.401 12 HG2 MET 7 HG2 MET 7 -11.939 13.680 1.537 13 HG3 MET 7 HG3 MET 7 -12.674 14.039 -0.023 14 HE1 MET 7 HE1 MET 7 -10.980 12.184 -1.038 15 HE2 MET 7 HE2 MET 7 -10.235 11.967 0.545 16 HE3 MET 7 HE3 MET 7 -9.229 12.282 -0.868 17 H ALA 8 H ALA 8 -10.374 17.722 0.864 18 HA ALA 8 HA ALA 8 -7.852 16.441 0.765 19 HB1 ALA 8 HB1 ALA 8 -7.131 18.379 -0.529 20 HB2 ALA 8 HB2 ALA 8 -8.598 19.241 -0.069 21 HB3 ALA 8 HB3 ALA 8 -8.703 17.800 -1.080 22 H GLN 9 H GLN 9 -9.134 19.145 2.615 23 HA GLN 9 HA GLN 9 -6.599 19.847 3.762 24 HB2 GLN 9 HB2 GLN 9 -9.404 20.575 4.619 25 HB3 GLN 9 HB3 GLN 9 -7.935 21.283 5.270 26 HG2 GLN 9 HG2 GLN 9 -8.849 21.462 2.412 27 HG3 GLN 9 HG3 GLN 9 -9.008 22.727 3.625 28 HE21 GLN 9 HE21 GLN 9 -6.381 22.162 4.794 29 HE22 GLN 9 HE22 GLN 9 -5.228 22.800 3.676 30 H ALA 10 H ALA 10 -9.232 17.721 4.567 31 HA ALA 10 HA ALA 10 -8.424 17.236 7.268 32 HB1 ALA 10 HB1 ALA 10 -10.736 16.896 6.523 33 HB2 ALA 10 HB2 ALA 10 -10.052 15.430 7.223 34 HB3 ALA 10 HB3 ALA 10 -10.199 15.585 5.473 35 H ALA 11 H ALA 11 -7.772 15.812 4.145 36 HA ALA 11 HA ALA 11 -6.205 13.643 5.249 37 HB1 ALA 11 HB1 ALA 11 -6.563 14.565 2.395 38 HB2 ALA 11 HB2 ALA 11 -7.478 13.288 3.195 39 HB3 ALA 11 HB3 ALA 11 -5.750 13.084 2.903 40 H GLN 12 H GLN 12 -3.984 13.486 3.762 41 HA GLN 12 HA GLN 12 -2.562 16.008 4.267 42 HB2 GLN 12 HB2 GLN 12 -0.655 14.609 5.165 43 HB3 GLN 12 HB3 GLN 12 -2.076 14.712 6.194 44 HG2 GLN 12 HG2 GLN 12 -2.797 12.503 5.228 45 HG3 GLN 12 HG3 GLN 12 -1.202 12.400 4.485 46 HE21 GLN 12 HE21 GLN 12 0.604 12.091 5.795 47 HE22 GLN 12 HE22 GLN 12 0.467 11.564 7.436 48 H GLN 13 H GLN 13 -2.201 16.576 2.192 49 HA GLN 13 HA GLN 13 -1.273 14.641 0.277 50 HB2 GLN 13 HB2 GLN 13 -1.237 16.464 -1.333 51 HB3 GLN 13 HB3 GLN 13 -2.750 16.461 -0.450 52 HG2 GLN 13 HG2 GLN 13 -0.440 18.303 0.127 53 HG3 GLN 13 HG3 GLN 13 -1.826 18.715 -0.878 54 HE21 GLN 13 HE21 GLN 13 -0.839 19.924 1.584 55 HE22 GLN 13 HE22 GLN 13 -2.160 19.874 2.700 56 H LYS 14 H LYS 14 0.669 13.856 0.647 57 HA LYS 14 HA LYS 14 2.891 15.727 1.141 58 HB2 LYS 14 HB2 LYS 14 2.720 12.744 1.635 59 HB3 LYS 14 HB3 LYS 14 4.120 13.748 1.968 60 HG2 LYS 14 HG2 LYS 14 1.441 14.151 3.270 61 HG3 LYS 14 HG3 LYS 14 2.731 13.163 3.957 62 HD2 LYS 14 HD2 LYS 14 4.209 15.147 3.931 63 HD3 LYS 14 HD3 LYS 14 2.856 16.115 3.339 64 HE2 LYS 14 HE2 LYS 14 1.597 15.649 5.352 65 HE3 LYS 14 HE3 LYS 14 2.865 14.571 5.929 66 HZ1 LYS 14 HZ1 LYS 14 3.109 17.500 5.520 67 HZ2 LYS 14 HZ2 LYS 14 4.369 16.485 6.002 68 HZ3 LYS 14 HZ3 LYS 14 3.025 16.702 7.007 69 H ASN 15 H ASN 15 4.566 15.799 -0.313 70 HA ASN 15 HA ASN 15 4.093 14.543 -2.854 71 HB2 ASN 15 HB2 ASN 15 6.040 15.888 -3.581 72 HB3 ASN 15 HB3 ASN 15 4.757 16.852 -2.881 73 HD21 ASN 15 HD21 ASN 15 5.084 17.800 -0.848 74 HD22 ASN 15 HD22 ASN 15 6.675 18.000 -0.195 75 H PHE 16 H PHE 16 4.826 12.634 -3.368 76 HA PHE 16 HA PHE 16 7.299 11.675 -2.081 77 HB2 PHE 16 HB2 PHE 16 4.961 10.071 -3.129 78 HB3 PHE 16 HB3 PHE 16 6.438 9.385 -2.467 79 HD1 PHE 16 HD1 PHE 16 6.985 9.844 -0.057 80 HD2 PHE 16 HD2 PHE 16 3.185 10.652 -1.759 81 HE1 PHE 16 HE1 PHE 16 5.993 9.882 2.197 82 HE2 PHE 16 HE2 PHE 16 2.175 10.690 0.485 83 HZ PHE 16 HZ PHE 16 3.583 10.304 2.470 84 H ASN 17 H ASN 17 8.888 10.838 -3.345 85 HA ASN 17 HA ASN 17 8.369 10.447 -6.197 86 HB2 ASN 17 HB2 ASN 17 9.325 12.693 -6.043 87 HB3 ASN 17 HB3 ASN 17 10.669 12.077 -5.087 88 HD21 ASN 17 HD21 ASN 17 12.345 11.045 -6.091 89 HD22 ASN 17 HD22 ASN 17 12.514 10.963 -7.812 90 H ILE 18 H ILE 18 8.561 8.286 -6.093 91 HA ILE 18 HA ILE 18 11.043 7.191 -4.930 92 HB ILE 18 HB ILE 18 8.475 5.640 -5.231 93 HG12 ILE 18 HG12 ILE 18 8.054 7.587 -3.753 94 HG13 ILE 18 HG13 ILE 18 7.956 6.059 -2.894 95 HG21 ILE 18 HG21 ILE 18 9.492 4.176 -3.551 96 HG22 ILE 18 HG22 ILE 18 10.922 5.208 -3.528 97 HG23 ILE 18 HG23 ILE 18 10.496 4.323 -4.993 98 HD11 ILE 18 HD11 ILE 18 10.277 7.969 -2.843 99 HD12 ILE 18 HD12 ILE 18 10.187 6.434 -1.976 100 HD13 ILE 18 HD13 ILE 18 9.075 7.746 -1.572 101 H ALA 19 H ALA 19 12.370 6.395 -6.442 102 HA ALA 19 HA ALA 19 11.599 5.847 -9.119 103 HB1 ALA 19 HB1 ALA 19 14.041 4.947 -7.584 104 HB2 ALA 19 HB2 ALA 19 13.897 6.433 -8.522 105 HB3 ALA 19 HB3 ALA 19 13.842 4.870 -9.335 106 H ALA 20 H ALA 20 11.314 3.796 -10.142 107 HA ALA 20 HA ALA 20 9.809 1.998 -8.539 108 HB1 ALA 20 HB1 ALA 20 10.829 1.664 -11.360 109 HB2 ALA 20 HB2 ALA 20 9.291 2.391 -10.895 110 HB3 ALA 20 HB3 ALA 20 9.587 0.680 -10.588 111 H GLN 21 H GLN 21 10.891 0.988 -7.025 112 HA GLN 21 HA GLN 21 13.264 -0.598 -7.698 113 HB2 GLN 21 HB2 GLN 21 12.180 0.416 -5.063 114 HB3 GLN 21 HB3 GLN 21 13.556 -0.673 -5.197 115 HG2 GLN 21 HG2 GLN 21 14.917 0.945 -6.118 116 HG3 GLN 21 HG3 GLN 21 13.557 1.912 -6.686 117 HE21 GLN 21 HE21 GLN 21 12.517 3.286 -5.280 118 HE22 GLN 21 HE22 GLN 21 13.199 3.741 -3.754 119 HA PRO 22 HA PRO 22 11.084 -4.484 -6.687 120 HB2 PRO 22 HB2 PRO 22 13.059 -4.845 -4.485 121 HB3 PRO 22 HB3 PRO 22 12.599 -5.966 -5.772 122 HG2 PRO 22 HG2 PRO 22 14.939 -4.687 -5.845 123 HG3 PRO 22 HG3 PRO 22 14.004 -4.974 -7.324 124 HD2 PRO 22 HD2 PRO 22 14.340 -2.462 -5.747 125 HD3 PRO 22 HD3 PRO 22 14.202 -2.684 -7.503 126 H LEU 23 H LEU 23 9.417 -4.931 -5.224 127 HA LEU 23 HA LEU 23 8.408 -2.666 -3.992 128 HB2 LEU 23 HB2 LEU 23 7.535 -5.305 -4.489 129 HB3 LEU 23 HB3 LEU 23 7.197 -4.957 -2.804 130 HG LEU 23 HG LEU 23 6.308 -3.258 -5.135 131 HD11 LEU 23 HD11 LEU 23 4.729 -5.144 -3.391 132 HD12 LEU 23 HD12 LEU 23 5.162 -5.414 -5.079 133 HD13 LEU 23 HD13 LEU 23 4.073 -4.097 -4.648 134 HD21 LEU 23 HD21 LEU 23 6.663 -1.965 -3.094 135 HD22 LEU 23 HD22 LEU 23 5.635 -3.085 -2.200 136 HD23 LEU 23 HD23 LEU 23 4.947 -2.087 -3.480 137 H GLN 24 H GLN 24 10.073 -5.395 -2.461 138 HA GLN 24 HA GLN 24 9.607 -4.545 0.198 139 HB2 GLN 24 HB2 GLN 24 11.815 -6.270 -0.935 140 HB3 GLN 24 HB3 GLN 24 11.486 -6.068 0.780 141 HG2 GLN 24 HG2 GLN 24 9.235 -7.005 0.430 142 HG3 GLN 24 HG3 GLN 24 9.634 -7.268 -1.267 143 HE21 GLN 24 HE21 GLN 24 10.199 -8.283 2.001 144 HE22 GLN 24 HE22 GLN 24 10.981 -9.776 1.617 145 H SER 25 H SER 25 12.201 -3.884 -2.099 146 HA SER 25 HA SER 25 13.778 -2.382 -0.231 147 HB2 SER 25 HB2 SER 25 13.929 -2.430 -3.257 148 HB3 SER 25 HB3 SER 25 15.189 -1.886 -2.147 149 HG SER 25 HG SER 25 15.292 -4.025 -1.336 150 H ALA 26 H ALA 26 11.288 -1.712 -2.574 151 HA ALA 26 HA ALA 26 11.580 1.072 -2.832 152 HB1 ALA 26 HB1 ALA 26 9.063 -0.598 -2.960 153 HB2 ALA 26 HB2 ALA 26 10.174 -0.301 -4.302 154 HB3 ALA 26 HB3 ALA 26 9.261 1.036 -3.602 155 H MET 27 H MET 27 9.491 -0.848 -0.710 156 HA MET 27 HA MET 27 8.451 1.407 0.673 157 HB2 MET 27 HB2 MET 27 8.483 -1.507 1.461 158 HB3 MET 27 HB3 MET 27 7.512 -0.252 2.224 159 HG2 MET 27 HG2 MET 27 7.312 -1.133 -0.643 160 HG3 MET 27 HG3 MET 27 6.204 -1.573 0.654 161 HE1 MET 27 HE1 MET 27 4.039 0.802 -1.494 162 HE2 MET 27 HE2 MET 27 4.269 -0.828 -0.868 163 HE3 MET 27 HE3 MET 27 5.314 -0.223 -2.154 164 H LEU 28 H LEU 28 11.278 -0.563 1.060 165 HA LEU 28 HA LEU 28 11.890 0.101 3.718 166 HB2 LEU 28 HB2 LEU 28 13.035 -1.619 2.272 167 HB3 LEU 28 HB3 LEU 28 13.866 -0.304 1.469 168 HG LEU 28 HG LEU 28 14.110 -0.630 4.442 169 HD11 LEU 28 HD11 LEU 28 16.079 -2.038 4.084 170 HD12 LEU 28 HD12 LEU 28 15.722 -2.096 2.358 171 HD13 LEU 28 HD13 LEU 28 14.607 -2.825 3.514 172 HD21 LEU 28 HD21 LEU 28 16.288 0.403 4.057 173 HD22 LEU 28 HD22 LEU 28 14.994 1.406 3.402 174 HD23 LEU 28 HD23 LEU 28 15.981 0.424 2.320 175 H ARG 29 H ARG 29 12.187 1.841 0.705 176 HA ARG 29 HA ARG 29 13.698 4.010 1.890 177 HB2 ARG 29 HB2 ARG 29 12.557 3.539 -0.858 178 HB3 ARG 29 HB3 ARG 29 13.320 5.059 -0.406 179 HG2 ARG 29 HG2 ARG 29 14.646 2.360 -0.276 180 HG3 ARG 29 HG3 ARG 29 14.838 3.525 -1.590 181 HD2 ARG 29 HD2 ARG 29 15.833 5.122 -0.108 182 HD3 ARG 29 HD3 ARG 29 15.466 4.125 1.295 183 HE ARG 29 HE ARG 29 17.270 3.098 -0.773 184 HH11 ARG 29 HH11 ARG 29 16.699 4.173 2.520 185 HH12 ARG 29 HH12 ARG 29 18.236 3.599 3.095 186 HH21 ARG 29 HH21 ARG 29 19.281 2.347 -0.012 187 HH22 ARG 29 HH22 ARG 29 19.705 2.563 1.656 188 H PHE 30 H PHE 30 10.437 3.562 0.555 189 HA PHE 30 HA PHE 30 9.576 6.201 1.117 190 HB2 PHE 30 HB2 PHE 30 8.248 5.161 -0.471 191 HB3 PHE 30 HB3 PHE 30 8.230 3.630 0.392 192 HD1 PHE 30 HD2 PHE 30 7.008 7.145 0.795 193 HD2 PHE 30 HD1 PHE 30 6.304 2.997 1.450 194 HE1 PHE 30 HE2 PHE 30 4.786 7.667 1.710 195 HE2 PHE 30 HE1 PHE 30 4.086 3.515 2.371 196 HZ PHE 30 HZ PHE 30 3.323 5.854 2.501 197 H ALA 31 H ALA 31 9.105 3.135 2.837 198 HA ALA 31 HA ALA 31 7.456 4.396 4.805 199 HB1 ALA 31 HB1 ALA 31 6.984 2.136 4.074 200 HB2 ALA 31 HB2 ALA 31 7.316 2.172 5.805 201 HB3 ALA 31 HB3 ALA 31 8.546 1.594 4.684 202 H GLU 32 H GLU 32 10.878 3.846 4.526 203 HA GLU 32 HA GLU 32 11.473 3.756 7.289 204 HB2 GLU 32 HB2 GLU 32 13.728 4.319 6.752 205 HB3 GLU 32 HB3 GLU 32 13.137 3.278 5.469 206 HG2 GLU 32 HG2 GLU 32 12.878 5.153 3.993 207 HG3 GLU 32 HG3 GLU 32 13.285 6.276 5.288 208 H GLN 33 H GLN 33 10.639 6.345 5.142 209 HA GLN 33 HA GLN 33 11.337 8.453 6.969 210 HB2 GLN 33 HB2 GLN 33 9.554 8.514 4.527 211 HB3 GLN 33 HB3 GLN 33 10.187 9.917 5.374 212 HG2 GLN 33 HG2 GLN 33 12.453 9.281 4.756 213 HG3 GLN 33 HG3 GLN 33 11.832 7.852 3.929 214 HE21 GLN 33 HE21 GLN 33 12.664 8.502 1.958 215 HE22 GLN 33 HE22 GLN 33 11.978 9.796 1.042 216 H ALA 34 H ALA 34 8.573 6.483 6.255 217 HA ALA 34 HA ALA 34 6.779 8.178 7.800 218 HB1 ALA 34 HB1 ALA 34 6.185 5.605 6.346 219 HB2 ALA 34 HB2 ALA 34 6.038 7.218 5.648 220 HB3 ALA 34 HB3 ALA 34 5.008 6.743 7.002 221 H GLY 35 H GLY 35 8.990 5.922 8.591 222 HA2 GLY 35 HA2 GLY 35 9.378 4.752 10.536 223 HA3 GLY 35 HA3 GLY 35 7.917 5.476 11.191 224 H MET 36 H MET 36 8.258 3.443 8.325 225 HA MET 36 HA MET 36 6.720 1.306 9.620 226 HB2 MET 36 HB2 MET 36 5.912 2.735 7.073 227 HB3 MET 36 HB3 MET 36 5.182 1.243 7.646 228 HG2 MET 36 HG2 MET 36 4.078 2.282 9.365 229 HG3 MET 36 HG3 MET 36 5.227 3.617 9.442 230 HE1 MET 36 HE1 MET 36 3.426 2.147 6.252 231 HE2 MET 36 HE2 MET 36 1.991 3.169 6.182 232 HE3 MET 36 HE3 MET 36 2.204 2.039 7.519 233 H GLN 37 H GLN 37 6.521 -0.606 8.016 234 HA GLN 37 HA GLN 37 8.381 -0.608 5.798 235 HB2 GLN 37 HB2 GLN 37 9.688 -1.313 7.884 236 HB3 GLN 37 HB3 GLN 37 8.683 -2.758 7.898 237 HG2 GLN 37 HG2 GLN 37 9.464 -3.293 5.628 238 HG3 GLN 37 HG3 GLN 37 10.517 -1.880 5.674 239 HE21 GLN 37 HE21 GLN 37 11.225 -4.643 5.320 240 HE22 GLN 37 HE22 GLN 37 12.299 -5.055 6.612 241 H VAL 38 H VAL 38 8.032 -2.511 4.403 242 HA VAL 38 HA VAL 38 5.205 -3.196 4.501 243 HB VAL 38 HB VAL 38 6.243 -2.235 2.440 244 HG11 VAL 38 HG11 VAL 38 7.531 -3.669 0.957 245 HG12 VAL 38 HG12 VAL 38 7.530 -4.945 2.180 246 HG13 VAL 38 HG13 VAL 38 8.367 -3.425 2.493 247 HG21 VAL 38 HG21 VAL 38 4.117 -3.376 2.326 248 HG22 VAL 38 HG22 VAL 38 4.932 -4.932 2.169 249 HG23 VAL 38 HG23 VAL 38 5.068 -3.731 0.884 250 H PHE 39 H PHE 39 4.388 -5.277 4.383 251 HA PHE 39 HA PHE 39 6.275 -7.502 4.685 252 HB2 PHE 39 HB2 PHE 39 5.552 -6.706 6.952 253 HB3 PHE 39 HB3 PHE 39 3.893 -7.066 6.492 254 HD1 PHE 39 HD1 PHE 39 7.232 -8.670 6.818 255 HD2 PHE 39 HD2 PHE 39 3.006 -9.154 6.938 256 HE1 PHE 39 HE1 PHE 39 7.523 -10.978 7.616 257 HE2 PHE 39 HE2 PHE 39 3.291 -11.465 7.737 258 HZ PHE 39 HZ PHE 39 5.551 -12.379 8.076 259 H PHE 40 H PHE 40 5.628 -9.325 3.656 260 HA PHE 40 HA PHE 40 2.969 -9.270 2.382 261 HB2 PHE 40 HB2 PHE 40 5.550 -10.440 1.317 262 HB3 PHE 40 HB3 PHE 40 3.984 -10.567 0.528 263 HD1 PHE 40 HD1 PHE 40 6.517 -8.111 1.679 264 HD2 PHE 40 HD2 PHE 40 3.270 -8.921 -0.950 265 HE1 PHE 40 HE1 PHE 40 6.971 -6.014 0.474 266 HE2 PHE 40 HE2 PHE 40 3.712 -6.820 -2.149 267 HZ PHE 40 HZ PHE 40 5.565 -5.365 -1.438 268 H ASP 41 H ASP 41 2.458 -11.631 1.560 269 HA ASP 41 HA ASP 41 2.350 -13.394 3.791 270 HB2 ASP 41 HB2 ASP 41 1.749 -13.756 0.853 271 HB3 ASP 41 HB3 ASP 41 1.611 -15.081 2.002 272 H GLU 42 H GLU 42 3.379 -15.476 3.972 273 HA GLU 42 HA GLU 42 6.119 -15.463 3.118 274 HB2 GLU 42 HB2 GLU 42 4.500 -17.629 4.474 275 HB3 GLU 42 HB3 GLU 42 6.245 -17.656 4.250 276 HG2 GLU 42 HG2 GLU 42 6.474 -15.693 5.656 277 HG3 GLU 42 HG3 GLU 42 4.723 -15.619 5.855 278 H VAL 43 H VAL 43 5.994 -15.453 0.887 279 HA VAL 43 HA VAL 43 5.404 -18.056 -0.314 280 HB VAL 43 HB VAL 43 4.425 -16.932 -2.309 281 HG11 VAL 43 HG11 VAL 43 2.962 -17.948 -0.654 282 HG12 VAL 43 HG12 VAL 43 2.219 -16.501 -1.335 283 HG13 VAL 43 HG13 VAL 43 2.943 -16.449 0.272 284 HG21 VAL 43 HG21 VAL 43 5.374 -14.707 -1.975 285 HG22 VAL 43 HG22 VAL 43 4.376 -14.489 -0.537 286 HG23 VAL 43 HG23 VAL 43 3.618 -14.631 -2.123 287 H LYS 44 H LYS 44 6.673 -18.564 -2.085 288 HA LYS 44 HA LYS 44 9.083 -16.953 -2.376 289 HB2 LYS 44 HB2 LYS 44 9.100 -19.469 -2.039 290 HB3 LYS 44 HB3 LYS 44 8.444 -19.610 -3.663 291 HG2 LYS 44 HG2 LYS 44 10.409 -18.559 -4.587 292 HG3 LYS 44 HG3 LYS 44 11.059 -18.300 -2.969 293 HD2 LYS 44 HD2 LYS 44 10.557 -20.949 -4.315 294 HD3 LYS 44 HD3 LYS 44 12.124 -20.226 -3.955 295 HE2 LYS 44 HE2 LYS 44 10.074 -21.195 -1.965 296 HE3 LYS 44 HE3 LYS 44 11.623 -21.946 -2.332 297 HZ1 LYS 44 HZ1 LYS 44 11.714 -20.666 -0.284 298 HZ2 LYS 44 HZ2 LYS 44 11.257 -19.265 -1.110 299 HZ3 LYS 44 HZ3 LYS 44 12.737 -19.996 -1.450 300 H LEU 45 H LEU 45 8.357 -15.207 -3.572 301 HA LEU 45 HA LEU 45 7.509 -15.786 -6.315 302 HB2 LEU 45 HB2 LEU 45 5.496 -15.340 -4.994 303 HB3 LEU 45 HB3 LEU 45 6.183 -13.826 -4.442 304 HG LEU 45 HG LEU 45 6.181 -13.042 -6.826 305 HD11 LEU 45 HD11 LEU 45 6.132 -15.228 -7.909 306 HD12 LEU 45 HD12 LEU 45 4.774 -14.228 -8.423 307 HD13 LEU 45 HD13 LEU 45 4.522 -15.522 -7.252 308 HD21 LEU 45 HD21 LEU 45 4.451 -12.370 -5.247 309 HD22 LEU 45 HD22 LEU 45 3.519 -13.816 -5.638 310 HD23 LEU 45 HD23 LEU 45 3.783 -12.577 -6.865 311 H ASP 46 H ASP 46 8.514 -14.592 -7.791 312 HA ASP 46 HA ASP 46 9.947 -12.174 -6.909 313 HB2 ASP 46 HB2 ASP 46 10.464 -14.033 -9.234 314 HB3 ASP 46 HB3 ASP 46 11.275 -12.485 -9.033 315 H GLY 47 H GLY 47 9.938 -10.331 -8.326 316 HA2 GLY 47 HA2 GLY 47 9.150 -9.326 -10.403 317 HA3 GLY 47 HA3 GLY 47 7.714 -10.326 -10.267 318 H MET 48 H MET 48 8.368 -9.337 -7.215 319 HA MET 48 HA MET 48 6.224 -7.411 -7.289 320 HB2 MET 48 HB2 MET 48 7.951 -8.391 -5.007 321 HB3 MET 48 HB3 MET 48 6.590 -7.293 -4.819 322 HG2 MET 48 HG2 MET 48 5.096 -9.019 -5.718 323 HG3 MET 48 HG3 MET 48 6.467 -10.116 -5.855 324 HE1 MET 48 HE1 MET 48 7.807 -11.082 -3.778 325 HE2 MET 48 HE2 MET 48 7.451 -10.669 -2.101 326 HE3 MET 48 HE3 MET 48 8.113 -9.449 -3.188 327 H GLN 49 H GLN 49 6.501 -5.328 -7.674 328 HA GLN 49 HA GLN 49 8.817 -3.913 -6.677 329 HB2 GLN 49 HB2 GLN 49 9.470 -3.054 -8.894 330 HB3 GLN 49 HB3 GLN 49 9.695 -4.793 -8.765 331 HG2 GLN 49 HG2 GLN 49 7.616 -5.155 -9.993 332 HG3 GLN 49 HG3 GLN 49 7.391 -3.412 -10.124 333 HE21 GLN 49 HE21 GLN 49 10.511 -4.953 -10.363 334 HE22 GLN 49 HE22 GLN 49 10.744 -4.655 -12.051 335 H ALA 50 H ALA 50 8.652 -1.596 -7.067 336 HA ALA 50 HA ALA 50 5.872 -0.747 -6.870 337 HB1 ALA 50 HB1 ALA 50 7.457 -0.003 -5.163 338 HB2 ALA 50 HB2 ALA 50 6.808 1.365 -6.065 339 HB3 ALA 50 HB3 ALA 50 8.436 0.778 -6.405 340 H ALA 51 H ALA 51 5.126 1.136 -8.033 341 HA ALA 51 HA ALA 51 6.123 1.209 -10.765 342 HB1 ALA 51 HB1 ALA 51 3.717 1.015 -10.406 343 HB2 ALA 51 HB2 ALA 51 4.109 2.522 -11.235 344 HB3 ALA 51 HB3 ALA 51 3.718 2.537 -9.515 345 H ALA 52 H ALA 52 5.775 3.649 -11.689 346 HA ALA 52 HA ALA 52 7.887 5.167 -10.514 347 HB1 ALA 52 HB1 ALA 52 7.485 5.132 -12.937 348 HB2 ALA 52 HB2 ALA 52 7.476 6.769 -12.287 349 HB3 ALA 52 HB3 ALA 52 5.956 5.971 -12.686 350 H LEU 53 H LEU 53 7.307 5.716 -8.469 351 HA LEU 53 HA LEU 53 4.768 6.961 -7.901 352 HB2 LEU 53 HB2 LEU 53 6.148 5.320 -6.446 353 HB3 LEU 53 HB3 LEU 53 7.099 6.725 -6.022 354 HG LEU 53 HG LEU 53 5.430 6.177 -4.311 355 HD11 LEU 53 HD11 LEU 53 6.132 8.482 -4.540 356 HD12 LEU 53 HD12 LEU 53 4.436 8.384 -4.070 357 HD13 LEU 53 HD13 LEU 53 4.869 8.764 -5.736 358 HD21 LEU 53 HD21 LEU 53 3.381 6.843 -6.410 359 HD22 LEU 53 HD22 LEU 53 3.075 6.449 -4.718 360 HD23 LEU 53 HD23 LEU 53 3.733 5.224 -5.805 361 H ASN 54 H ASN 54 4.502 9.027 -8.459 362 HA ASN 54 HA ASN 54 6.230 11.011 -7.260 363 HB2 ASN 54 HB2 ASN 54 7.307 10.674 -9.462 364 HB3 ASN 54 HB3 ASN 54 5.775 11.009 -10.259 365 HD21 ASN 54 HD21 ASN 54 8.513 12.356 -8.630 366 HD22 ASN 54 HD22 ASN 54 8.134 14.019 -8.930 367 H GLY 55 H GLY 55 4.659 11.985 -6.103 368 HA2 GLY 55 HA2 GLY 55 2.791 13.665 -7.341 369 HA3 GLY 55 HA3 GLY 55 1.962 12.182 -6.902 370 H SER 56 H SER 56 1.398 14.780 -5.888 371 HA SER 56 HA SER 56 2.226 14.601 -3.087 372 HB2 SER 56 HB2 SER 56 0.534 16.706 -4.462 373 HB3 SER 56 HB3 SER 56 1.191 16.796 -2.828 374 HG SER 56 HG SER 56 3.023 16.311 -4.857 375 H MET 57 H MET 57 1.078 13.164 -1.964 376 HA MET 57 HA MET 57 -1.811 13.209 -2.014 377 HB2 MET 57 HB2 MET 57 -1.894 10.743 -2.628 378 HB3 MET 57 HB3 MET 57 -1.546 11.862 -3.940 379 HG2 MET 57 HG2 MET 57 0.894 11.374 -3.550 380 HG3 MET 57 HG3 MET 57 0.376 10.073 -2.481 381 HE1 MET 57 HE1 MET 57 2.045 8.696 -4.127 382 HE2 MET 57 HE2 MET 57 2.203 9.999 -5.305 383 HE3 MET 57 HE3 MET 57 1.697 8.395 -5.828 384 H SER 58 H SER 58 -2.580 11.135 -0.695 385 HA SER 58 HA SER 58 -1.055 11.244 1.791 386 HB2 SER 58 HB2 SER 58 -3.844 10.197 1.250 387 HB3 SER 58 HB3 SER 58 -3.098 10.386 2.838 388 HG SER 58 HG SER 58 -2.816 12.707 1.791 389 H VAL 59 H VAL 59 -1.690 8.972 3.077 390 HA VAL 59 HA VAL 59 0.215 7.162 2.126 391 HB VAL 59 HB VAL 59 -2.046 6.430 3.986 392 HG11 VAL 59 HG11 VAL 59 -0.675 4.564 3.251 393 HG12 VAL 59 HG12 VAL 59 -0.389 4.907 4.957 394 HG13 VAL 59 HG13 VAL 59 0.786 5.421 3.746 395 HG21 VAL 59 HG21 VAL 59 0.544 7.832 4.654 396 HG22 VAL 59 HG22 VAL 59 -0.601 7.189 5.832 397 HG23 VAL 59 HG23 VAL 59 -1.076 8.517 4.773 398 H GLU 60 H GLU 60 -3.317 7.069 1.947 399 HA GLU 60 HA GLU 60 -3.590 4.523 0.878 400 HB2 GLU 60 HB2 GLU 60 -5.358 6.895 0.283 401 HB3 GLU 60 HB3 GLU 60 -5.804 5.200 0.157 402 HG2 GLU 60 HG2 GLU 60 -6.713 5.623 2.176 403 HG3 GLU 60 HG3 GLU 60 -5.082 5.235 2.719 404 H GLN 61 H GLN 61 -3.755 7.572 -0.973 405 HA GLN 61 HA GLN 61 -3.706 6.360 -3.495 406 HB2 GLN 61 HB2 GLN 61 -2.971 9.129 -2.583 407 HB3 GLN 61 HB3 GLN 61 -2.891 8.655 -4.274 408 HG2 GLN 61 HG2 GLN 61 -5.343 8.605 -2.532 409 HG3 GLN 61 HG3 GLN 61 -4.973 9.797 -3.777 410 HE21 GLN 61 HE21 GLN 61 -5.118 9.204 -5.947 411 HE22 GLN 61 HE22 GLN 61 -5.958 7.780 -6.454 412 H GLY 62 H GLY 62 -1.084 7.479 -1.420 413 HA2 GLY 62 HA2 GLY 62 1.037 7.218 -3.225 414 HA3 GLY 62 HA3 GLY 62 1.167 7.049 -1.480 415 H LEU 63 H LEU 63 -0.213 4.847 -0.894 416 HA LEU 63 HA LEU 63 1.518 2.770 -1.685 417 HB2 LEU 63 HB2 LEU 63 -0.922 3.017 -0.037 418 HB3 LEU 63 HB3 LEU 63 -0.525 1.420 -0.623 419 HG LEU 63 HG LEU 63 0.357 1.720 1.602 420 HD11 LEU 63 HD11 LEU 63 2.603 1.805 -0.390 421 HD12 LEU 63 HD12 LEU 63 1.647 0.379 0.003 422 HD13 LEU 63 HD13 LEU 63 2.657 1.129 1.237 423 HD21 LEU 63 HD21 LEU 63 1.943 4.027 0.499 424 HD22 LEU 63 HD22 LEU 63 2.014 3.393 2.144 425 HD23 LEU 63 HD23 LEU 63 0.542 4.169 1.560 426 H ARG 64 H ARG 64 -1.750 3.644 -2.662 427 HA ARG 64 HA ARG 64 -2.405 1.449 -4.215 428 HB2 ARG 64 HB2 ARG 64 -3.106 4.358 -4.566 429 HB3 ARG 64 HB3 ARG 64 -3.784 3.089 -5.579 430 HG2 ARG 64 HG2 ARG 64 -4.689 2.004 -3.566 431 HG3 ARG 64 HG3 ARG 64 -4.069 3.336 -2.595 432 HD2 ARG 64 HD2 ARG 64 -5.534 4.882 -3.623 433 HD3 ARG 64 HD3 ARG 64 -5.963 3.735 -4.894 434 HE ARG 64 HE ARG 64 -6.756 2.456 -2.661 435 HH11 ARG 64 HH11 ARG 64 -7.315 5.707 -3.817 436 HH12 ARG 64 HH12 ARG 64 -8.916 5.803 -3.145 437 HH21 ARG 64 HH21 ARG 64 -8.862 2.598 -1.738 438 HH22 ARG 64 HH22 ARG 64 -9.782 4.055 -1.955 439 H ARG 65 H ARG 65 -0.536 4.302 -5.146 440 HA ARG 65 HA ARG 65 -0.116 3.327 -7.822 441 HB2 ARG 65 HB2 ARG 65 1.013 5.654 -6.286 442 HB3 ARG 65 HB3 ARG 65 1.517 5.266 -7.923 443 HG2 ARG 65 HG2 ARG 65 -0.809 5.530 -8.676 444 HG3 ARG 65 HG3 ARG 65 -1.266 5.983 -7.032 445 HD2 ARG 65 HD2 ARG 65 -0.888 7.916 -8.559 446 HD3 ARG 65 HD3 ARG 65 0.116 7.927 -7.109 447 HE ARG 65 HE ARG 65 1.572 6.650 -9.101 448 HH11 ARG 65 HH11 ARG 65 0.232 9.846 -8.570 449 HH12 ARG 65 HH12 ARG 65 1.486 10.649 -9.461 450 HH21 ARG 65 HH21 ARG 65 3.222 7.702 -10.254 451 HH22 ARG 65 HH22 ARG 65 3.174 9.430 -10.434 452 H LEU 66 H LEU 66 1.282 2.769 -4.811 453 HA LEU 66 HA LEU 66 3.968 2.330 -5.790 454 HB2 LEU 66 HB2 LEU 66 2.640 2.550 -3.182 455 HB3 LEU 66 HB3 LEU 66 3.979 1.429 -3.223 456 HG LEU 66 HG LEU 66 4.142 4.339 -4.021 457 HD11 LEU 66 HD11 LEU 66 5.380 4.629 -1.932 458 HD12 LEU 66 HD12 LEU 66 5.047 2.950 -1.506 459 HD13 LEU 66 HD13 LEU 66 3.722 4.105 -1.641 460 HD21 LEU 66 HD21 LEU 66 6.277 2.242 -3.656 461 HD22 LEU 66 HD22 LEU 66 6.567 3.957 -3.944 462 HD23 LEU 66 HD23 LEU 66 5.779 2.978 -5.180 463 H ILE 67 H ILE 67 1.312 0.331 -4.465 464 HA ILE 67 HA ILE 67 3.082 -1.980 -4.568 465 HB ILE 67 HB ILE 67 0.289 -1.736 -3.477 466 HG12 ILE 67 HG12 ILE 67 2.987 -1.947 -2.121 467 HG13 ILE 67 HG13 ILE 67 1.958 -0.518 -2.169 468 HG21 ILE 67 HG21 ILE 67 0.655 -3.957 -2.519 469 HG22 ILE 67 HG22 ILE 67 2.211 -4.058 -3.341 470 HG23 ILE 67 HG23 ILE 67 0.720 -3.999 -4.281 471 HD11 ILE 67 HD11 ILE 67 1.829 -1.660 -0.021 472 HD12 ILE 67 HD12 ILE 67 1.282 -3.128 -0.830 473 HD13 ILE 67 HD13 ILE 67 0.274 -1.681 -0.853 474 H GLY 68 H GLY 68 -0.284 -1.400 -5.678 475 HA2 GLY 68 HA2 GLY 68 0.167 -3.755 -7.394 476 HA3 GLY 68 HA3 GLY 68 -1.361 -3.390 -6.622 477 H GLY 69 H GLY 69 -1.999 -0.923 -7.278 478 HA2 GLY 69 HA2 GLY 69 -2.903 0.272 -9.062 479 HA3 GLY 69 HA3 GLY 69 -1.940 -0.703 -10.171 480 H ASN 70 H ASN 70 -2.873 -3.143 -8.750 481 HA ASN 70 HA ASN 70 -5.547 -3.414 -9.923 482 HB2 ASN 70 HB2 ASN 70 -3.536 -5.490 -9.005 483 HB3 ASN 70 HB3 ASN 70 -5.141 -5.869 -9.615 484 HD21 ASN 70 HD21 ASN 70 -5.040 -3.739 -11.633 485 HD22 ASN 70 HD22 ASN 70 -3.977 -4.314 -12.868 486 HA PRO 71 HA PRO 71 -7.519 -3.599 -5.970 487 HB2 PRO 71 HB2 PRO 71 -8.847 -6.142 -6.659 488 HB3 PRO 71 HB3 PRO 71 -9.558 -4.569 -6.288 489 HG2 PRO 71 HG2 PRO 71 -9.559 -5.544 -8.781 490 HG3 PRO 71 HG3 PRO 71 -9.349 -3.813 -8.460 491 HD2 PRO 71 HD2 PRO 71 -7.293 -5.874 -9.158 492 HD3 PRO 71 HD3 PRO 71 -7.444 -4.196 -9.723 493 H VAL 72 H VAL 72 -5.771 -4.020 -4.656 494 HA VAL 72 HA VAL 72 -5.801 -6.666 -3.400 495 HB VAL 72 HB VAL 72 -3.201 -5.174 -3.845 496 HG11 VAL 72 HG11 VAL 72 -3.241 -6.681 -1.942 497 HG12 VAL 72 HG12 VAL 72 -2.181 -7.308 -3.205 498 HG13 VAL 72 HG13 VAL 72 -3.787 -8.001 -2.977 499 HG21 VAL 72 HG21 VAL 72 -4.003 -5.852 -6.039 500 HG22 VAL 72 HG22 VAL 72 -4.248 -7.499 -5.458 501 HG23 VAL 72 HG23 VAL 72 -2.618 -6.832 -5.557 502 H ALA 73 H ALA 73 -5.101 -6.464 -1.073 503 HA ALA 73 HA ALA 73 -5.961 -3.788 -0.201 504 HB1 ALA 73 HB1 ALA 73 -6.130 -6.389 1.302 505 HB2 ALA 73 HB2 ALA 73 -7.439 -5.666 0.370 506 HB3 ALA 73 HB3 ALA 73 -6.811 -4.838 1.795 507 H PHE 74 H PHE 74 -4.570 -2.517 0.825 508 HA PHE 74 HA PHE 74 -2.276 -3.780 2.157 509 HB2 PHE 74 HB2 PHE 74 -1.095 -1.640 1.961 510 HB3 PHE 74 HB3 PHE 74 -1.586 -2.236 0.385 511 HD1 PHE 74 HD1 PHE 74 -3.702 -1.229 -0.642 512 HD2 PHE 74 HD2 PHE 74 -1.628 0.518 2.637 513 HE1 PHE 74 HE1 PHE 74 -4.748 0.939 -1.138 514 HE2 PHE 74 HE2 PHE 74 -2.675 2.696 2.145 515 HZ PHE 74 HZ PHE 74 -4.243 2.896 0.254 516 H ARG 75 H ARG 75 -2.224 -3.751 4.280 517 HA ARG 75 HA ARG 75 -4.162 -2.028 5.667 518 HB2 ARG 75 HB2 ARG 75 -4.503 -4.497 5.808 519 HB3 ARG 75 HB3 ARG 75 -2.945 -4.628 6.610 520 HG2 ARG 75 HG2 ARG 75 -3.729 -3.431 8.506 521 HG3 ARG 75 HG3 ARG 75 -5.223 -2.980 7.679 522 HD2 ARG 75 HD2 ARG 75 -4.381 -5.780 8.409 523 HD3 ARG 75 HD3 ARG 75 -5.592 -4.817 9.252 524 HE ARG 75 HE ARG 75 -6.790 -4.827 7.013 525 HH11 ARG 75 HH11 ARG 75 -4.737 -7.468 8.073 526 HH12 ARG 75 HH12 ARG 75 -5.562 -8.652 7.110 527 HH21 ARG 75 HH21 ARG 75 -7.873 -6.391 5.763 528 HH22 ARG 75 HH22 ARG 75 -7.349 -8.046 5.808 529 H LEU 76 H LEU 76 -3.306 -0.369 6.680 530 HA LEU 76 HA LEU 76 -0.482 -0.300 7.280 531 HB2 LEU 76 HB2 LEU 76 -2.652 1.742 7.790 532 HB3 LEU 76 HB3 LEU 76 -0.951 1.997 8.109 533 HG LEU 76 HG LEU 76 -1.252 3.100 6.109 534 HD11 LEU 76 HD11 LEU 76 0.608 1.544 5.926 535 HD12 LEU 76 HD12 LEU 76 -0.160 1.816 4.360 536 HD13 LEU 76 HD13 LEU 76 -0.471 0.326 5.249 537 HD21 LEU 76 HD21 LEU 76 -3.556 2.382 5.724 538 HD22 LEU 76 HD22 LEU 76 -2.968 0.839 5.102 539 HD23 LEU 76 HD23 LEU 76 -2.595 2.337 4.247 540 H GLN 77 H GLN 77 0.012 -1.613 8.937 541 HA GLN 77 HA GLN 77 -1.564 -1.749 11.335 542 HB2 GLN 77 HB2 GLN 77 1.182 -2.790 10.621 543 HB3 GLN 77 HB3 GLN 77 0.445 -3.036 12.196 544 HG2 GLN 77 HG2 GLN 77 -0.712 -3.978 9.583 545 HG3 GLN 77 HG3 GLN 77 0.212 -4.975 10.707 546 HE21 GLN 77 HE21 GLN 77 -2.489 -5.369 9.803 547 HE22 GLN 77 HE22 GLN 77 -3.490 -5.340 11.212 548 HA PRO 78 HA PRO 78 0.183 1.890 13.228 549 HB2 PRO 78 HB2 PRO 78 -0.642 1.364 15.777 550 HB3 PRO 78 HB3 PRO 78 -1.706 2.010 14.521 551 HG2 PRO 78 HG2 PRO 78 -1.397 -0.810 15.479 552 HG3 PRO 78 HG3 PRO 78 -2.877 0.088 15.097 553 HD2 PRO 78 HD2 PRO 78 -1.803 -1.692 13.385 554 HD3 PRO 78 HD3 PRO 78 -2.630 -0.225 12.820 555 H GLN 79 H GLN 79 1.170 -1.251 13.590 556 HA GLN 79 HA GLN 79 3.191 -0.794 15.615 557 HB2 GLN 79 HB2 GLN 79 2.749 -3.158 13.776 558 HB3 GLN 79 HB3 GLN 79 3.817 -3.119 15.172 559 HG2 GLN 79 HG2 GLN 79 1.965 -2.922 16.669 560 HG3 GLN 79 HG3 GLN 79 0.840 -2.718 15.325 561 HE21 GLN 79 HE21 GLN 79 2.802 -4.958 17.109 562 HE22 GLN 79 HE22 GLN 79 2.098 -6.396 16.460 563 H GLY 80 H GLY 80 2.826 0.101 12.495 564 HA2 GLY 80 HA2 GLY 80 4.432 1.231 11.220 565 HA3 GLY 80 HA3 GLY 80 5.696 0.450 12.157 566 H GLN 81 H GLN 81 3.015 -1.199 10.576 567 HA GLN 81 HA GLN 81 4.927 -2.368 8.677 568 HB2 GLN 81 HB2 GLN 81 3.003 -3.857 10.462 569 HB3 GLN 81 HB3 GLN 81 3.764 -4.583 9.054 570 HG2 GLN 81 HG2 GLN 81 5.282 -3.396 11.365 571 HG3 GLN 81 HG3 GLN 81 4.868 -5.103 11.221 572 HE21 GLN 81 HE21 GLN 81 5.869 -6.353 9.640 573 HE22 GLN 81 HE22 GLN 81 7.325 -5.842 8.858 574 H ILE 82 H ILE 82 4.202 -2.560 6.654 575 HA ILE 82 HA ILE 82 1.363 -2.006 6.125 576 HB ILE 82 HB ILE 82 3.606 -2.152 4.104 577 HG12 ILE 82 HG12 ILE 82 2.464 0.325 5.411 578 HG13 ILE 82 HG13 ILE 82 4.029 -0.378 5.803 579 HG21 ILE 82 HG21 ILE 82 1.377 -2.434 3.181 580 HG22 ILE 82 HG22 ILE 82 2.056 -0.883 2.689 581 HG23 ILE 82 HG23 ILE 82 0.845 -0.948 3.969 582 HD11 ILE 82 HD11 ILE 82 4.785 0.038 3.520 583 HD12 ILE 82 HD12 ILE 82 4.267 1.522 4.319 584 HD13 ILE 82 HD13 ILE 82 3.217 0.746 3.133 585 H VAL 83 H VAL 83 0.324 -3.933 6.339 586 HA VAL 83 HA VAL 83 1.571 -6.339 5.254 587 HB VAL 83 HB VAL 83 -1.003 -6.079 6.821 588 HG11 VAL 83 HG11 VAL 83 -0.786 -8.495 7.152 589 HG12 VAL 83 HG12 VAL 83 0.652 -8.505 6.132 590 HG13 VAL 83 HG13 VAL 83 -0.916 -8.089 5.440 591 HG21 VAL 83 HG21 VAL 83 0.910 -5.370 8.154 592 HG22 VAL 83 HG22 VAL 83 1.759 -6.864 7.753 593 HG23 VAL 83 HG23 VAL 83 0.290 -6.918 8.727 594 H LEU 84 H LEU 84 1.192 -6.850 3.219 595 HA LEU 84 HA LEU 84 -1.154 -5.826 1.854 596 HB2 LEU 84 HB2 LEU 84 1.113 -5.866 0.792 597 HB3 LEU 84 HB3 LEU 84 1.026 -7.619 0.786 598 HG LEU 84 HG LEU 84 -1.036 -7.442 -0.627 599 HD11 LEU 84 HD11 LEU 84 -0.227 -4.544 -0.710 600 HD12 LEU 84 HD12 LEU 84 -1.725 -5.211 -0.062 601 HD13 LEU 84 HD13 LEU 84 -1.397 -5.295 -1.794 602 HD21 LEU 84 HD21 LEU 84 1.473 -6.209 -1.755 603 HD22 LEU 84 HD22 LEU 84 0.163 -6.935 -2.689 604 HD23 LEU 84 HD23 LEU 84 1.137 -7.936 -1.611 605 H SER 85 H SER 85 -3.000 -6.896 1.842 606 HA SER 85 HA SER 85 -2.957 -9.799 2.309 607 HB2 SER 85 HB2 SER 85 -5.254 -7.861 2.684 608 HB3 SER 85 HB3 SER 85 -5.228 -9.563 3.149 609 HG SER 85 HG SER 85 -3.245 -7.861 4.152 610 H ARG 86 H ARG 86 -3.778 -11.150 0.811 611 HA ARG 86 HA ARG 86 -4.332 -10.067 -1.798 612 HB2 ARG 86 HB2 ARG 86 -4.205 -12.908 -0.781 613 HB3 ARG 86 HB3 ARG 86 -4.460 -12.471 -2.463 614 HG2 ARG 86 HG2 ARG 86 -2.279 -11.385 -2.523 615 HG3 ARG 86 HG3 ARG 86 -2.024 -11.800 -0.826 616 HD2 ARG 86 HD2 ARG 86 -2.149 -14.169 -1.372 617 HD3 ARG 86 HD3 ARG 86 -2.454 -13.775 -3.063 618 HE ARG 86 HE ARG 86 -0.046 -12.572 -2.238 619 HH11 ARG 86 HH11 ARG 86 -1.392 -15.724 -2.941 620 HH12 ARG 86 HH12 ARG 86 0.127 -16.403 -3.427 621 HH21 ARG 86 HH21 ARG 86 1.950 -13.454 -2.888 622 HH22 ARG 86 HH22 ARG 86 2.028 -15.111 -3.410 623 H LEU 87 H LEU 87 -6.329 -8.986 -0.852 624 HA LEU 87 HA LEU 87 -8.645 -10.652 -0.560 625 HB2 LEU 87 HB2 LEU 87 -8.115 -7.734 -0.597 626 HB3 LEU 87 HB3 LEU 87 -9.728 -8.250 -1.046 627 HG LEU 87 HG LEU 87 -9.868 -9.482 1.130 628 HD11 LEU 87 HD11 LEU 87 -8.301 -8.913 2.897 629 HD12 LEU 87 HD12 LEU 87 -7.343 -7.969 1.758 630 HD13 LEU 87 HD13 LEU 87 -7.480 -9.715 1.560 631 HD21 LEU 87 HD21 LEU 87 -9.405 -6.508 1.248 632 HD22 LEU 87 HD22 LEU 87 -10.239 -7.462 2.475 633 HD23 LEU 87 HD23 LEU 87 -10.917 -7.325 0.853 634 HA PRO 88 HA PRO 88 -9.183 -11.210 -4.925 635 HB2 PRO 88 HB2 PRO 88 -11.488 -12.609 -4.798 636 HB3 PRO 88 HB3 PRO 88 -9.929 -13.314 -4.349 637 HG2 PRO 88 HG2 PRO 88 -12.079 -12.195 -2.591 638 HG3 PRO 88 HG3 PRO 88 -11.124 -13.675 -2.386 639 HD2 PRO 88 HD2 PRO 88 -10.571 -11.357 -1.075 640 HD3 PRO 88 HD3 PRO 88 -9.322 -12.539 -1.520 641 H THR 89 H THR 89 -10.741 -10.682 -6.582 642 HA THR 89 HA THR 89 -12.043 -8.200 -6.218 643 HB THR 89 HB THR 89 -12.457 -10.193 -8.460 644 HG1 THR 89 HG1 THR 89 -10.761 -8.128 -8.990 645 HG21 THR 89 HG21 THR 89 -12.772 -7.190 -8.381 646 HG22 THR 89 HG22 THR 89 -14.089 -8.362 -8.427 647 HG23 THR 89 HG23 THR 89 -12.991 -8.215 -9.799 648 H ALA 90 H ALA 90 -13.742 -8.063 -4.869 649 HA ALA 90 HA ALA 90 -15.537 -10.236 -4.406 650 HB1 ALA 90 HB1 ALA 90 -16.665 -8.727 -2.881 651 HB2 ALA 90 HB2 ALA 90 -15.761 -7.360 -3.531 652 HB3 ALA 90 HB3 ALA 90 -14.920 -8.636 -2.650 653 H ASN 91 H ASN 91 -18.023 -9.586 -4.379 654 HA ASN 91 HA ASN 91 -18.774 -9.597 -7.081 655 HB2 ASN 91 HB2 ASN 91 -20.140 -10.556 -5.226 656 HB3 ASN 91 HB3 ASN 91 -20.557 -8.915 -4.735 657 HD21 ASN 91 HD21 ASN 91 -22.738 -9.171 -5.121 658 HD22 ASN 91 HD22 ASN 91 -23.394 -9.298 -6.715 659 H GLY 92 H GLY 92 -18.895 -7.025 -4.656 660 HA2 GLY 92 HA2 GLY 92 -20.122 -5.075 -6.289 661 HA3 GLY 92 HA3 GLY 92 -19.179 -4.757 -4.843 662 H ASP 93 H ASP 93 -16.905 -6.281 -6.231 663 HA ASP 93 HA ASP 93 -15.792 -3.953 -7.571 664 HB2 ASP 93 HB2 ASP 93 -14.559 -6.635 -6.894 665 HB3 ASP 93 HB3 ASP 93 -13.695 -5.292 -7.631 666 H GLY 94 H GLY 94 -17.700 -6.441 -8.484 667 HA2 GLY 94 HA2 GLY 94 -18.329 -6.897 -10.716 668 HA3 GLY 94 HA3 GLY 94 -16.762 -6.309 -11.255 669 H GLY 95 H GLY 95 -16.852 -8.461 -8.570 670 HA2 GLY 95 HA2 GLY 95 -15.527 -10.518 -10.136 671 HA3 GLY 95 HA3 GLY 95 -15.745 -10.508 -8.391 672 H ALA 96 H ALA 96 -17.119 -11.954 -7.623 673 HA ALA 96 HA ALA 96 -19.549 -12.590 -9.065 674 HB1 ALA 96 HB1 ALA 96 -19.137 -15.003 -9.068 675 HB2 ALA 96 HB2 ALA 96 -17.512 -14.726 -8.442 676 HB3 ALA 96 HB3 ALA 96 -17.947 -14.146 -10.049 677 H LEU 97 H LEU 97 -20.681 -14.483 -7.722 678 HA LEU 97 HA LEU 97 -21.081 -13.439 -5.109 679 HB2 LEU 97 HB2 LEU 97 -22.051 -15.987 -6.399 680 HB3 LEU 97 HB3 LEU 97 -22.566 -15.426 -4.818 681 HG LEU 97 HG LEU 97 -23.018 -13.964 -7.423 682 HD11 LEU 97 HD11 LEU 97 -24.364 -15.989 -7.237 683 HD12 LEU 97 HD12 LEU 97 -25.363 -14.543 -7.091 684 HD13 LEU 97 HD13 LEU 97 -24.937 -15.469 -5.653 685 HD21 LEU 97 HD21 LEU 97 -24.462 -12.503 -6.071 686 HD22 LEU 97 HD22 LEU 97 -22.774 -12.418 -5.571 687 HD23 LEU 97 HD23 LEU 97 -23.931 -13.345 -4.616 688 H ALA 98 H ALA 98 -21.170 -15.082 -3.221 689 HA ALA 98 HA ALA 98 -20.057 -16.306 -1.672 690 HB1 ALA 98 HB1 ALA 98 -18.309 -17.886 -2.274 691 HB2 ALA 98 HB2 ALA 98 -18.230 -17.203 -3.897 692 HB3 ALA 98 HB3 ALA 98 -19.687 -18.042 -3.363 693 H LEU 99 H LEU 99 -17.962 -14.634 -3.972 694 HA LEU 99 HA LEU 99 -16.201 -13.686 -1.911 695 HB2 LEU 99 HB2 LEU 99 -16.516 -12.854 -4.797 696 HB3 LEU 99 HB3 LEU 99 -15.244 -12.296 -3.725 697 HG LEU 99 HG LEU 99 -15.660 -15.163 -4.571 698 HD11 LEU 99 HD11 LEU 99 -13.602 -13.145 -5.450 699 HD12 LEU 99 HD12 LEU 99 -14.932 -13.763 -6.428 700 HD13 LEU 99 HD13 LEU 99 -13.643 -14.848 -5.907 701 HD21 LEU 99 HD21 LEU 99 -13.462 -13.846 -2.981 702 HD22 LEU 99 HD22 LEU 99 -13.451 -15.513 -3.554 703 HD23 LEU 99 HD23 LEU 99 -14.651 -14.997 -2.373 704 H ASP 100 H ASP 100 -19.289 -12.988 -2.803 705 HA ASP 100 HA ASP 100 -19.330 -10.151 -2.564 706 HB2 ASP 100 HB2 ASP 100 -21.719 -10.343 -2.493 707 HB3 ASP 100 HB3 ASP 100 -21.142 -11.552 -3.632 708 H SER 101 H SER 101 -19.058 -12.736 -0.372 709 HA SER 101 HA SER 101 -20.087 -11.398 1.943 710 HB2 SER 101 HB2 SER 101 -18.275 -13.817 1.808 711 HB3 SER 101 HB3 SER 101 -19.305 -13.335 3.157 712 HG SER 101 HG SER 101 -21.115 -13.730 1.854 713 H LEU 102 H LEU 102 -17.375 -10.878 0.140 714 HA LEU 102 HA LEU 102 -15.497 -10.430 2.282 715 HB2 LEU 102 HB2 LEU 102 -14.837 -11.117 -0.030 716 HB3 LEU 102 HB3 LEU 102 -15.344 -9.539 -0.598 717 HG LEU 102 HG LEU 102 -13.622 -8.498 0.857 718 HD11 LEU 102 HD11 LEU 102 -12.785 -11.352 1.348 719 HD12 LEU 102 HD12 LEU 102 -13.439 -10.234 2.546 720 HD13 LEU 102 HD13 LEU 102 -11.868 -9.919 1.809 721 HD21 LEU 102 HD21 LEU 102 -11.697 -9.192 -0.507 722 HD22 LEU 102 HD22 LEU 102 -13.141 -8.900 -1.476 723 HD23 LEU 102 HD23 LEU 102 -12.641 -10.552 -1.116 724 H THR 103 H THR 103 -18.207 -8.922 1.590 725 HA THR 103 HA THR 103 -17.418 -6.174 1.596 726 HB THR 103 HB THR 103 -19.589 -6.917 0.671 727 HG1 THR 103 HG1 THR 103 -19.645 -5.073 2.846 728 HG21 THR 103 HG21 THR 103 -21.422 -7.525 2.165 729 HG22 THR 103 HG22 THR 103 -20.330 -7.456 3.547 730 HG23 THR 103 HG23 THR 103 -20.093 -8.677 2.296 731 H VAL 104 H VAL 104 -17.591 -8.609 3.957 732 HA VAL 104 HA VAL 104 -18.078 -6.914 6.223 733 HB VAL 104 HB VAL 104 -17.442 -8.826 7.593 734 HG11 VAL 104 HG11 VAL 104 -19.102 -10.458 6.786 735 HG12 VAL 104 HG12 VAL 104 -19.174 -9.596 5.248 736 HG13 VAL 104 HG13 VAL 104 -19.699 -8.800 6.732 737 HG21 VAL 104 HG21 VAL 104 -16.716 -10.941 6.591 738 HG22 VAL 104 HG22 VAL 104 -15.558 -9.647 6.281 739 HG23 VAL 104 HG23 VAL 104 -16.659 -10.170 5.006 740 H LEU 105 H LEU 105 -16.533 -6.240 7.773 741 HA LEU 105 HA LEU 105 -14.638 -5.101 8.319 742 HB2 LEU 105 HB2 LEU 105 -13.341 -7.465 6.951 743 HB3 LEU 105 HB3 LEU 105 -12.495 -6.300 7.950 744 HG LEU 105 HG LEU 105 -14.697 -8.120 8.931 745 HD11 LEU 105 HD11 LEU 105 -12.915 -9.353 10.053 746 HD12 LEU 105 HD12 LEU 105 -11.709 -8.312 9.297 747 HD13 LEU 105 HD13 LEU 105 -12.699 -9.381 8.303 748 HD21 LEU 105 HD21 LEU 105 -12.805 -6.286 10.399 749 HD22 LEU 105 HD22 LEU 105 -13.943 -7.403 11.152 750 HD23 LEU 105 HD23 LEU 105 -14.540 -6.048 10.195 751 H GLY 106 H GLY 106 -15.810 -3.965 6.268 752 HA2 GLY 106 HA2 GLY 106 -14.317 -3.912 3.842 753 HA3 GLY 106 HA3 GLY 106 -15.634 -2.838 4.279 754 H ALA 107 H ALA 107 -12.207 -3.365 4.391 755 HA ALA 107 HA ALA 107 -11.680 -0.724 5.472 756 HB1 ALA 107 HB1 ALA 107 -10.227 -2.598 6.094 757 HB2 ALA 107 HB2 ALA 107 -9.326 -1.342 5.244 758 HB3 ALA 107 HB3 ALA 107 -9.789 -2.819 4.400 759 H GLY 108 H GLY 108 -10.858 0.994 4.305 760 HA2 GLY 108 HA2 GLY 108 -11.437 0.972 1.472 761 HA3 GLY 108 HA3 GLY 108 -10.919 2.355 2.427 762 H GLY 109 H GLY 109 -8.862 -0.124 3.130 763 HA2 GLY 109 HA2 GLY 109 -6.756 1.044 1.548 764 HA3 GLY 109 HA3 GLY 109 -6.591 -0.271 2.700 765 H ASN 110 H ASN 110 -7.103 0.613 -0.561 766 HA ASN 110 HA ASN 110 -6.533 -2.124 -1.404 767 HB2 ASN 110 HB2 ASN 110 -8.278 -2.113 -3.093 768 HB3 ASN 110 HB3 ASN 110 -9.020 -1.802 -1.528 769 HD21 ASN 110 HD21 ASN 110 -8.457 -0.634 -4.681 770 HD22 ASN 110 HD22 ASN 110 -9.282 0.877 -4.526 771 H ASN 111 H ASN 111 -5.171 -2.177 -3.168 772 HA ASN 111 HA ASN 111 -3.862 0.325 -3.734 773 HB2 ASN 111 HB2 ASN 111 -3.249 -2.485 -4.656 774 HB3 ASN 111 HB3 ASN 111 -2.260 -1.084 -5.054 775 HD21 ASN 111 HD21 ASN 111 -2.997 -3.445 -2.718 776 HD22 ASN 111 HD22 ASN 111 -1.912 -2.896 -1.495 777 H ALA 112 H ALA 112 -6.294 0.657 -4.725 778 HA ALA 112 HA ALA 112 -5.788 0.876 -7.578 779 HB1 ALA 112 HB1 ALA 112 -8.290 -0.451 -6.526 780 HB2 ALA 112 HB2 ALA 112 -6.977 -1.262 -7.382 781 HB3 ALA 112 HB3 ALA 112 -7.957 -0.052 -8.211 Start of MODEL 9 1 H1 SER 6 H1 SER 6 -14.878 22.468 -5.170 2 H2 SER 6 H2 SER 6 -14.648 21.813 -6.710 3 H3 SER 6 H3 SER 6 -13.780 23.183 -6.236 4 HA SER 6 HA SER 6 -13.541 20.498 -5.031 5 HB2 SER 6 HB2 SER 6 -12.620 20.618 -7.321 6 HB3 SER 6 HB3 SER 6 -11.649 22.012 -6.853 7 HG SER 6 HG SER 6 -11.468 19.410 -5.713 8 H MET 7 H MET 7 -12.573 20.460 -3.100 9 HA MET 7 HA MET 7 -11.276 22.925 -2.151 10 HB2 MET 7 HB2 MET 7 -13.072 20.971 -0.809 11 HB3 MET 7 HB3 MET 7 -11.767 21.650 0.152 12 HG2 MET 7 HG2 MET 7 -13.788 22.921 0.468 13 HG3 MET 7 HG3 MET 7 -12.575 23.902 -0.347 14 HE1 MET 7 HE1 MET 7 -15.654 24.700 -0.196 15 HE2 MET 7 HE2 MET 7 -15.914 25.263 -1.846 16 HE3 MET 7 HE3 MET 7 -14.419 25.664 -1.001 17 H ALA 8 H ALA 8 -9.200 22.486 -2.763 18 HA ALA 8 HA ALA 8 -7.873 20.022 -2.435 19 HB1 ALA 8 HB1 ALA 8 -5.817 21.296 -2.786 20 HB2 ALA 8 HB2 ALA 8 -6.705 22.802 -2.554 21 HB3 ALA 8 HB3 ALA 8 -7.065 21.769 -3.937 22 H GLN 9 H GLN 9 -8.603 22.584 -0.249 23 HA GLN 9 HA GLN 9 -6.657 22.063 1.739 24 HB2 GLN 9 HB2 GLN 9 -8.097 23.401 3.205 25 HB3 GLN 9 HB3 GLN 9 -7.890 24.171 1.639 26 HG2 GLN 9 HG2 GLN 9 -10.085 23.298 0.949 27 HG3 GLN 9 HG3 GLN 9 -10.292 22.613 2.560 28 HE21 GLN 9 HE21 GLN 9 -12.119 23.840 2.955 29 HE22 GLN 9 HE22 GLN 9 -12.049 25.543 3.252 30 H ALA 10 H ALA 10 -9.406 20.332 0.761 31 HA ALA 10 HA ALA 10 -9.676 18.994 3.354 32 HB1 ALA 10 HB1 ALA 10 -11.374 18.746 0.874 33 HB2 ALA 10 HB2 ALA 10 -11.737 19.761 2.268 34 HB3 ALA 10 HB3 ALA 10 -11.703 18.008 2.440 35 H ALA 11 H ALA 11 -7.709 18.746 0.850 36 HA ALA 11 HA ALA 11 -7.801 15.805 0.733 37 HB1 ALA 11 HB1 ALA 11 -6.726 17.737 -1.320 38 HB2 ALA 11 HB2 ALA 11 -8.246 16.851 -1.426 39 HB3 ALA 11 HB3 ALA 11 -6.713 15.979 -1.451 40 H GLN 12 H GLN 12 -6.417 15.253 2.354 41 HA GLN 12 HA GLN 12 -3.874 16.561 2.689 42 HB2 GLN 12 HB2 GLN 12 -4.979 15.647 4.649 43 HB3 GLN 12 HB3 GLN 12 -5.016 14.046 3.923 44 HG2 GLN 12 HG2 GLN 12 -2.578 13.956 3.983 45 HG3 GLN 12 HG3 GLN 12 -2.536 15.560 4.710 46 HE21 GLN 12 HE21 GLN 12 -3.155 15.818 6.844 47 HE22 GLN 12 HE22 GLN 12 -3.319 14.479 7.929 48 H GLN 13 H GLN 13 -2.583 16.313 0.955 49 HA GLN 13 HA GLN 13 -1.872 13.553 0.247 50 HB2 GLN 13 HB2 GLN 13 -1.386 14.497 -2.079 51 HB3 GLN 13 HB3 GLN 13 -3.067 14.243 -1.640 52 HG2 GLN 13 HG2 GLN 13 -3.401 16.571 -1.276 53 HG3 GLN 13 HG3 GLN 13 -1.675 16.899 -1.437 54 HE21 GLN 13 HE21 GLN 13 -4.579 15.960 -3.142 55 HE22 GLN 13 HE22 GLN 13 -4.013 16.376 -4.723 56 H LYS 14 H LYS 14 0.254 13.111 -0.046 57 HA LYS 14 HA LYS 14 2.117 15.282 0.669 58 HB2 LYS 14 HB2 LYS 14 2.504 12.308 1.071 59 HB3 LYS 14 HB3 LYS 14 3.568 13.589 1.632 60 HG2 LYS 14 HG2 LYS 14 0.770 13.026 2.596 61 HG3 LYS 14 HG3 LYS 14 2.272 12.732 3.473 62 HD2 LYS 14 HD2 LYS 14 2.729 15.167 3.415 63 HD3 LYS 14 HD3 LYS 14 1.159 15.412 2.647 64 HE2 LYS 14 HE2 LYS 14 0.919 15.842 4.990 65 HE3 LYS 14 HE3 LYS 14 0.095 14.330 4.618 66 HZ1 LYS 14 HZ1 LYS 14 2.012 13.121 5.460 67 HZ2 LYS 14 HZ2 LYS 14 1.392 14.155 6.644 68 HZ3 LYS 14 HZ3 LYS 14 2.801 14.575 5.811 69 H ASN 15 H ASN 15 4.196 15.251 -0.363 70 HA ASN 15 HA ASN 15 3.994 14.414 -3.137 71 HB2 ASN 15 HB2 ASN 15 4.831 16.696 -2.364 72 HB3 ASN 15 HB3 ASN 15 6.292 15.874 -1.833 73 HD21 ASN 15 HD21 ASN 15 4.436 16.964 -4.527 74 HD22 ASN 15 HD22 ASN 15 5.642 16.691 -5.736 75 H PHE 16 H PHE 16 4.497 12.349 -3.530 76 HA PHE 16 HA PHE 16 6.694 11.115 -2.018 77 HB2 PHE 16 HB2 PHE 16 4.552 9.814 -3.714 78 HB3 PHE 16 HB3 PHE 16 5.784 8.962 -2.791 79 HD1 PHE 16 HD1 PHE 16 5.825 10.093 -0.218 80 HD2 PHE 16 HD2 PHE 16 2.484 9.550 -2.792 81 HE1 PHE 16 HE1 PHE 16 4.332 10.041 1.737 82 HE2 PHE 16 HE2 PHE 16 0.983 9.500 -0.843 83 HZ PHE 16 HZ PHE 16 1.906 9.746 1.425 84 H ASN 17 H ASN 17 8.513 10.432 -2.984 85 HA ASN 17 HA ASN 17 8.612 10.431 -5.925 86 HB2 ASN 17 HB2 ASN 17 10.739 11.500 -4.052 87 HB3 ASN 17 HB3 ASN 17 10.950 11.279 -5.786 88 HD21 ASN 17 HD21 ASN 17 9.529 13.193 -3.295 89 HD22 ASN 17 HD22 ASN 17 8.966 14.479 -4.306 90 H ILE 18 H ILE 18 8.409 8.237 -6.043 91 HA ILE 18 HA ILE 18 10.494 6.635 -4.710 92 HB ILE 18 HB ILE 18 7.769 5.642 -5.547 93 HG12 ILE 18 HG12 ILE 18 7.590 7.376 -3.768 94 HG13 ILE 18 HG13 ILE 18 7.063 5.788 -3.236 95 HG21 ILE 18 HG21 ILE 18 9.499 3.926 -5.395 96 HG22 ILE 18 HG22 ILE 18 8.300 3.727 -4.116 97 HG23 ILE 18 HG23 ILE 18 9.872 4.436 -3.749 98 HD11 ILE 18 HD11 ILE 18 8.346 6.902 -1.513 99 HD12 ILE 18 HD12 ILE 18 9.709 7.083 -2.618 100 HD13 ILE 18 HD13 ILE 18 9.208 5.476 -2.092 101 H ALA 19 H ALA 19 11.988 6.366 -6.308 102 HA ALA 19 HA ALA 19 11.335 5.721 -9.009 103 HB1 ALA 19 HB1 ALA 19 13.865 5.170 -7.449 104 HB2 ALA 19 HB2 ALA 19 13.530 6.627 -8.385 105 HB3 ALA 19 HB3 ALA 19 13.694 5.071 -9.201 106 H ALA 20 H ALA 20 11.412 3.590 -9.995 107 HA ALA 20 HA ALA 20 9.989 1.729 -8.406 108 HB1 ALA 20 HB1 ALA 20 9.674 1.935 -10.834 109 HB2 ALA 20 HB2 ALA 20 10.044 0.278 -10.354 110 HB3 ALA 20 HB3 ALA 20 11.292 1.283 -11.090 111 H GLN 21 H GLN 21 10.992 0.880 -6.741 112 HA GLN 21 HA GLN 21 13.582 -0.448 -7.098 113 HB2 GLN 21 HB2 GLN 21 12.099 0.397 -4.599 114 HB3 GLN 21 HB3 GLN 21 13.652 -0.433 -4.609 115 HG2 GLN 21 HG2 GLN 21 14.671 1.442 -5.759 116 HG3 GLN 21 HG3 GLN 21 13.112 2.264 -5.829 117 HE21 GLN 21 HE21 GLN 21 13.793 4.022 -4.681 118 HE22 GLN 21 HE22 GLN 21 14.143 3.967 -2.991 119 HA PRO 22 HA PRO 22 11.799 -4.551 -6.315 120 HB2 PRO 22 HB2 PRO 22 13.522 -4.701 -3.893 121 HB3 PRO 22 HB3 PRO 22 13.356 -5.849 -5.227 122 HG2 PRO 22 HG2 PRO 22 15.513 -4.295 -5.026 123 HG3 PRO 22 HG3 PRO 22 14.791 -4.658 -6.606 124 HD2 PRO 22 HD2 PRO 22 14.625 -2.164 -4.970 125 HD3 PRO 22 HD3 PRO 22 14.732 -2.353 -6.732 126 H LEU 23 H LEU 23 10.152 -5.396 -4.982 127 HA LEU 23 HA LEU 23 8.556 -3.409 -3.886 128 HB2 LEU 23 HB2 LEU 23 8.214 -6.033 -4.584 129 HB3 LEU 23 HB3 LEU 23 7.986 -6.084 -2.847 130 HG LEU 23 HG LEU 23 6.456 -4.335 -4.772 131 HD11 LEU 23 HD11 LEU 23 5.853 -6.684 -4.958 132 HD12 LEU 23 HD12 LEU 23 4.555 -5.762 -4.200 133 HD13 LEU 23 HD13 LEU 23 5.611 -6.773 -3.214 134 HD21 LEU 23 HD21 LEU 23 6.151 -4.696 -1.794 135 HD22 LEU 23 HD22 LEU 23 5.062 -3.782 -2.837 136 HD23 LEU 23 HD23 LEU 23 6.727 -3.244 -2.616 137 H GLN 24 H GLN 24 10.522 -5.812 -2.161 138 HA GLN 24 HA GLN 24 9.725 -5.203 0.434 139 HB2 GLN 24 HB2 GLN 24 12.305 -6.286 -0.669 140 HB3 GLN 24 HB3 GLN 24 12.062 -6.056 1.056 141 HG2 GLN 24 HG2 GLN 24 10.203 -7.591 1.043 142 HG3 GLN 24 HG3 GLN 24 10.314 -7.753 -0.709 143 HE21 GLN 24 HE21 GLN 24 11.832 -8.509 2.341 144 HE22 GLN 24 HE22 GLN 24 12.862 -9.761 1.737 145 H SER 25 H SER 25 12.309 -3.730 -1.512 146 HA SER 25 HA SER 25 13.059 -2.016 0.684 147 HB2 SER 25 HB2 SER 25 14.613 -1.036 -1.122 148 HB3 SER 25 HB3 SER 25 14.900 -2.695 -0.597 149 HG SER 25 HG SER 25 14.778 -2.123 -2.981 150 H ALA 26 H ALA 26 10.926 -1.891 -2.014 151 HA ALA 26 HA ALA 26 10.782 0.862 -2.484 152 HB1 ALA 26 HB1 ALA 26 8.580 0.433 -3.419 153 HB2 ALA 26 HB2 ALA 26 8.534 -1.148 -2.635 154 HB3 ALA 26 HB3 ALA 26 9.712 -0.828 -3.910 155 H MET 27 H MET 27 8.648 -1.106 -0.388 156 HA MET 27 HA MET 27 7.514 1.223 0.862 157 HB2 MET 27 HB2 MET 27 7.501 -1.576 1.974 158 HB3 MET 27 HB3 MET 27 6.390 -0.278 2.356 159 HG2 MET 27 HG2 MET 27 5.477 -0.425 0.078 160 HG3 MET 27 HG3 MET 27 6.573 -1.767 -0.251 161 HE1 MET 27 HE1 MET 27 3.143 -3.628 0.081 162 HE2 MET 27 HE2 MET 27 4.595 -3.423 -0.899 163 HE3 MET 27 HE3 MET 27 3.475 -2.077 -0.692 164 H LEU 28 H LEU 28 10.289 -0.784 1.443 165 HA LEU 28 HA LEU 28 10.795 -0.076 4.090 166 HB2 LEU 28 HB2 LEU 28 12.149 -1.722 2.902 167 HB3 LEU 28 HB3 LEU 28 12.764 -0.472 1.835 168 HG LEU 28 HG LEU 28 13.850 0.610 3.793 169 HD11 LEU 28 HD11 LEU 28 14.069 -0.666 5.868 170 HD12 LEU 28 HD12 LEU 28 12.954 -1.879 5.240 171 HD13 LEU 28 HD13 LEU 28 12.390 -0.236 5.545 172 HD21 LEU 28 HD21 LEU 28 14.596 -2.271 3.308 173 HD22 LEU 28 HD22 LEU 28 15.643 -1.038 4.010 174 HD23 LEU 28 HD23 LEU 28 15.103 -0.889 2.339 175 H ARG 29 H ARG 29 11.780 1.555 1.085 176 HA ARG 29 HA ARG 29 13.013 3.744 2.344 177 HB2 ARG 29 HB2 ARG 29 11.794 3.546 -0.412 178 HB3 ARG 29 HB3 ARG 29 12.839 4.850 0.135 179 HG2 ARG 29 HG2 ARG 29 13.605 1.947 -0.070 180 HG3 ARG 29 HG3 ARG 29 14.067 3.228 -1.194 181 HD2 ARG 29 HD2 ARG 29 15.311 4.356 0.536 182 HD3 ARG 29 HD3 ARG 29 14.755 3.196 1.741 183 HE ARG 29 HE ARG 29 16.373 2.299 -0.541 184 HH11 ARG 29 HH11 ARG 29 15.926 2.686 2.917 185 HH12 ARG 29 HH12 ARG 29 17.302 1.704 3.322 186 HH21 ARG 29 HH21 ARG 29 18.163 0.997 -0.006 187 HH22 ARG 29 HH22 ARG 29 18.573 0.742 1.663 188 H PHE 30 H PHE 30 9.711 3.370 1.071 189 HA PHE 30 HA PHE 30 8.889 6.006 1.693 190 HB2 PHE 30 HB2 PHE 30 7.504 4.888 0.160 191 HB3 PHE 30 HB3 PHE 30 7.389 3.450 1.171 192 HD1 PHE 30 HD2 PHE 30 6.484 7.071 1.197 193 HD2 PHE 30 HD1 PHE 30 5.501 3.126 2.454 194 HE1 PHE 30 HE2 PHE 30 4.386 7.906 2.174 195 HE2 PHE 30 HE1 PHE 30 3.409 3.957 3.441 196 HZ PHE 30 HZ PHE 30 2.847 6.349 3.301 197 H ALA 31 H ALA 31 8.364 2.941 3.416 198 HA ALA 31 HA ALA 31 6.980 4.176 5.566 199 HB1 ALA 31 HB1 ALA 31 8.225 1.442 5.358 200 HB2 ALA 31 HB2 ALA 31 6.551 1.872 4.998 201 HB3 ALA 31 HB3 ALA 31 7.154 1.976 6.652 202 H GLU 32 H GLU 32 10.311 3.713 4.833 203 HA GLU 32 HA GLU 32 11.497 3.854 7.354 204 HB2 GLU 32 HB2 GLU 32 12.299 4.769 4.658 205 HB3 GLU 32 HB3 GLU 32 13.145 5.512 6.006 206 HG2 GLU 32 HG2 GLU 32 13.718 3.237 6.821 207 HG3 GLU 32 HG3 GLU 32 12.989 2.580 5.355 208 H GLN 33 H GLN 33 10.120 6.492 5.434 209 HA GLN 33 HA GLN 33 10.795 8.397 7.529 210 HB2 GLN 33 HB2 GLN 33 9.932 10.108 6.016 211 HB3 GLN 33 HB3 GLN 33 11.110 9.090 5.204 212 HG2 GLN 33 HG2 GLN 33 9.346 7.888 4.074 213 HG3 GLN 33 HG3 GLN 33 8.125 8.808 4.951 214 HE21 GLN 33 HE21 GLN 33 8.583 8.568 2.080 215 HE22 GLN 33 HE22 GLN 33 8.813 10.181 1.497 216 H ALA 34 H ALA 34 8.272 6.312 6.824 217 HA ALA 34 HA ALA 34 6.221 8.025 7.998 218 HB1 ALA 34 HB1 ALA 34 4.632 6.350 7.325 219 HB2 ALA 34 HB2 ALA 34 5.929 5.230 6.915 220 HB3 ALA 34 HB3 ALA 34 5.705 6.703 5.970 221 H GLY 35 H GLY 35 8.151 5.213 8.770 222 HA2 GLY 35 HA2 GLY 35 8.678 4.802 11.094 223 HA3 GLY 35 HA3 GLY 35 7.049 5.313 11.504 224 H MET 36 H MET 36 7.761 3.165 8.833 225 HA MET 36 HA MET 36 6.746 0.871 10.349 226 HB2 MET 36 HB2 MET 36 5.562 1.942 7.782 227 HB3 MET 36 HB3 MET 36 5.270 0.309 8.357 228 HG2 MET 36 HG2 MET 36 4.179 1.136 10.324 229 HG3 MET 36 HG3 MET 36 4.614 2.794 9.920 230 HE1 MET 36 HE1 MET 36 3.439 4.251 8.125 231 HE2 MET 36 HE2 MET 36 2.348 3.613 6.895 232 HE3 MET 36 HE3 MET 36 4.045 3.134 6.902 233 H GLN 37 H GLN 37 6.840 -1.153 8.830 234 HA GLN 37 HA GLN 37 8.960 -1.017 6.841 235 HB2 GLN 37 HB2 GLN 37 10.064 -1.465 9.068 236 HB3 GLN 37 HB3 GLN 37 9.150 -2.965 9.150 237 HG2 GLN 37 HG2 GLN 37 10.239 -3.764 7.130 238 HG3 GLN 37 HG3 GLN 37 11.123 -2.247 6.987 239 HE21 GLN 37 HE21 GLN 37 10.520 -3.859 10.029 240 HE22 GLN 37 HE22 GLN 37 12.161 -4.307 10.334 241 H VAL 38 H VAL 38 9.145 -3.147 5.667 242 HA VAL 38 HA VAL 38 6.507 -4.021 4.977 243 HB VAL 38 HB VAL 38 7.670 -5.507 3.356 244 HG11 VAL 38 HG11 VAL 38 8.549 -2.633 3.365 245 HG12 VAL 38 HG12 VAL 38 7.051 -3.279 2.692 246 HG13 VAL 38 HG13 VAL 38 8.602 -3.708 1.968 247 HG21 VAL 38 HG21 VAL 38 10.182 -4.280 4.489 248 HG22 VAL 38 HG22 VAL 38 10.091 -5.300 3.054 249 HG23 VAL 38 HG23 VAL 38 9.693 -5.968 4.637 250 H PHE 39 H PHE 39 5.623 -6.059 5.166 251 HA PHE 39 HA PHE 39 7.168 -8.104 6.566 252 HB2 PHE 39 HB2 PHE 39 5.769 -6.967 8.276 253 HB3 PHE 39 HB3 PHE 39 4.330 -7.369 7.337 254 HD1 PHE 39 HD1 PHE 39 7.268 -8.962 8.977 255 HD2 PHE 39 HD2 PHE 39 3.208 -9.346 7.766 256 HE1 PHE 39 HE1 PHE 39 7.139 -11.139 10.113 257 HE2 PHE 39 HE2 PHE 39 3.070 -11.521 8.903 258 HZ PHE 39 HZ PHE 39 5.039 -12.421 10.078 259 H PHE 40 H PHE 40 6.634 -10.183 6.021 260 HA PHE 40 HA PHE 40 4.400 -10.735 4.278 261 HB2 PHE 40 HB2 PHE 40 5.853 -11.766 2.526 262 HB3 PHE 40 HB3 PHE 40 6.024 -10.017 2.627 263 HD1 PHE 40 HD1 PHE 40 8.051 -9.030 3.629 264 HD2 PHE 40 HD2 PHE 40 7.680 -13.220 2.980 265 HE1 PHE 40 HE1 PHE 40 10.486 -9.279 3.872 266 HE2 PHE 40 HE2 PHE 40 10.113 -13.477 3.226 267 HZ PHE 40 HZ PHE 40 11.520 -11.505 3.674 268 H ASP 41 H ASP 41 4.019 -13.014 4.083 269 HA ASP 41 HA ASP 41 5.136 -14.515 6.316 270 HB2 ASP 41 HB2 ASP 41 2.868 -15.136 4.411 271 HB3 ASP 41 HB3 ASP 41 3.386 -16.207 5.705 272 H GLU 42 H GLU 42 4.909 -17.123 5.311 273 HA GLU 42 HA GLU 42 7.363 -17.330 3.880 274 HB2 GLU 42 HB2 GLU 42 5.302 -19.469 4.455 275 HB3 GLU 42 HB3 GLU 42 6.966 -19.741 3.949 276 HG2 GLU 42 HG2 GLU 42 7.713 -18.598 6.026 277 HG3 GLU 42 HG3 GLU 42 6.030 -18.537 6.540 278 H VAL 43 H VAL 43 7.055 -16.223 1.975 279 HA VAL 43 HA VAL 43 5.724 -17.743 -0.123 280 HB VAL 43 HB VAL 43 4.007 -16.147 0.497 281 HG11 VAL 43 HG11 VAL 43 6.098 -14.010 0.107 282 HG12 VAL 43 HG12 VAL 43 5.362 -14.491 1.636 283 HG13 VAL 43 HG13 VAL 43 4.381 -13.722 0.388 284 HG21 VAL 43 HG21 VAL 43 4.200 -16.596 -1.867 285 HG22 VAL 43 HG22 VAL 43 5.414 -15.331 -2.041 286 HG23 VAL 43 HG23 VAL 43 3.755 -14.908 -1.624 287 H LYS 44 H LYS 44 6.884 -17.725 -1.993 288 HA LYS 44 HA LYS 44 9.503 -16.595 -1.882 289 HB2 LYS 44 HB2 LYS 44 9.133 -18.752 -2.965 290 HB3 LYS 44 HB3 LYS 44 8.090 -17.989 -4.160 291 HG2 LYS 44 HG2 LYS 44 9.934 -16.748 -5.065 292 HG3 LYS 44 HG3 LYS 44 10.999 -17.310 -3.777 293 HD2 LYS 44 HD2 LYS 44 11.444 -18.552 -5.795 294 HD3 LYS 44 HD3 LYS 44 10.716 -19.620 -4.597 295 HE2 LYS 44 HE2 LYS 44 8.560 -19.417 -5.698 296 HE3 LYS 44 HE3 LYS 44 9.246 -18.288 -6.867 297 HZ1 LYS 44 HZ1 LYS 44 10.718 -20.050 -7.634 298 HZ2 LYS 44 HZ2 LYS 44 9.100 -20.510 -7.785 299 HZ3 LYS 44 HZ3 LYS 44 10.039 -21.131 -6.525 300 H LEU 45 H LEU 45 9.745 -14.489 -2.084 301 HA LEU 45 HA LEU 45 8.142 -12.975 -3.980 302 HB2 LEU 45 HB2 LEU 45 10.377 -12.067 -2.156 303 HB3 LEU 45 HB3 LEU 45 9.310 -11.021 -3.074 304 HG LEU 45 HG LEU 45 8.470 -12.832 -0.808 305 HD11 LEU 45 HD11 LEU 45 9.784 -10.933 -0.044 306 HD12 LEU 45 HD12 LEU 45 8.090 -10.753 0.414 307 HD13 LEU 45 HD13 LEU 45 8.739 -9.834 -0.944 308 HD21 LEU 45 HD21 LEU 45 6.309 -11.699 -0.988 309 HD22 LEU 45 HD22 LEU 45 6.703 -12.578 -2.464 310 HD23 LEU 45 HD23 LEU 45 6.885 -10.825 -2.406 311 H ASP 46 H ASP 46 8.770 -13.465 -6.006 312 HA ASP 46 HA ASP 46 11.609 -13.085 -6.674 313 HB2 ASP 46 HB2 ASP 46 11.100 -15.475 -6.688 314 HB3 ASP 46 HB3 ASP 46 9.734 -15.197 -7.762 315 H GLY 47 H GLY 47 11.747 -11.308 -7.863 316 HA2 GLY 47 HA2 GLY 47 11.440 -9.983 -9.753 317 HA3 GLY 47 HA3 GLY 47 10.101 -11.019 -10.231 318 H MET 48 H MET 48 10.177 -9.795 -7.017 319 HA MET 48 HA MET 48 7.722 -8.328 -7.522 320 HB2 MET 48 HB2 MET 48 9.209 -8.849 -4.940 321 HB3 MET 48 HB3 MET 48 7.617 -8.115 -5.068 322 HG2 MET 48 HG2 MET 48 8.312 -10.910 -5.939 323 HG3 MET 48 HG3 MET 48 7.541 -10.479 -4.415 324 HE1 MET 48 HE1 MET 48 6.319 -12.620 -6.447 325 HE2 MET 48 HE2 MET 48 4.616 -12.162 -6.389 326 HE3 MET 48 HE3 MET 48 5.577 -12.173 -4.911 327 H GLN 49 H GLN 49 7.738 -6.234 -7.983 328 HA GLN 49 HA GLN 49 9.649 -4.489 -6.681 329 HB2 GLN 49 HB2 GLN 49 10.137 -3.389 -8.950 330 HB3 GLN 49 HB3 GLN 49 10.964 -4.888 -8.564 331 HG2 GLN 49 HG2 GLN 49 10.310 -5.043 -10.818 332 HG3 GLN 49 HG3 GLN 49 9.215 -6.083 -9.914 333 HE21 GLN 49 HE21 GLN 49 9.539 -3.108 -11.678 334 HE22 GLN 49 HE22 GLN 49 7.852 -2.825 -11.904 335 H ALA 50 H ALA 50 9.207 -2.138 -7.488 336 HA ALA 50 HA ALA 50 6.306 -1.786 -7.200 337 HB1 ALA 50 HB1 ALA 50 6.848 0.400 -6.249 338 HB2 ALA 50 HB2 ALA 50 8.564 0.089 -6.515 339 HB3 ALA 50 HB3 ALA 50 7.654 -0.904 -5.376 340 H ALA 51 H ALA 51 5.667 0.523 -7.989 341 HA ALA 51 HA ALA 51 6.406 0.677 -10.824 342 HB1 ALA 51 HB1 ALA 51 4.030 0.407 -10.300 343 HB2 ALA 51 HB2 ALA 51 4.336 1.961 -11.073 344 HB3 ALA 51 HB3 ALA 51 4.072 1.879 -9.332 345 H ALA 52 H ALA 52 6.286 3.002 -11.703 346 HA ALA 52 HA ALA 52 8.197 4.571 -10.210 347 HB1 ALA 52 HB1 ALA 52 6.901 5.092 -12.886 348 HB2 ALA 52 HB2 ALA 52 8.462 4.315 -12.622 349 HB3 ALA 52 HB3 ALA 52 8.237 6.011 -12.194 350 H LEU 53 H LEU 53 7.049 5.288 -8.417 351 HA LEU 53 HA LEU 53 4.696 6.960 -8.894 352 HB2 LEU 53 HB2 LEU 53 4.349 5.387 -7.152 353 HB3 LEU 53 HB3 LEU 53 5.893 5.752 -6.410 354 HG LEU 53 HG LEU 53 5.047 7.980 -5.763 355 HD11 LEU 53 HD11 LEU 53 3.410 8.280 -7.550 356 HD12 LEU 53 HD12 LEU 53 2.673 8.490 -5.962 357 HD13 LEU 53 HD13 LEU 53 2.418 6.994 -6.862 358 HD21 LEU 53 HD21 LEU 53 3.509 7.219 -4.025 359 HD22 LEU 53 HD22 LEU 53 4.883 6.127 -4.198 360 HD23 LEU 53 HD23 LEU 53 3.313 5.683 -4.870 361 H ASN 54 H ASN 54 4.965 9.069 -9.133 362 HA ASN 54 HA ASN 54 6.560 10.490 -7.204 363 HB2 ASN 54 HB2 ASN 54 7.726 11.867 -8.979 364 HB3 ASN 54 HB3 ASN 54 8.315 10.223 -8.787 365 HD21 ASN 54 HD21 ASN 54 6.769 12.480 -10.881 366 HD22 ASN 54 HD22 ASN 54 6.746 11.481 -12.293 367 H GLY 55 H GLY 55 4.883 11.568 -6.431 368 HA2 GLY 55 HA2 GLY 55 3.768 13.747 -7.787 369 HA3 GLY 55 HA3 GLY 55 2.652 12.397 -7.931 370 H SER 56 H SER 56 1.540 14.357 -6.694 371 HA SER 56 HA SER 56 1.995 14.012 -3.816 372 HB2 SER 56 HB2 SER 56 0.357 16.133 -5.218 373 HB3 SER 56 HB3 SER 56 0.849 16.117 -3.524 374 HG SER 56 HG SER 56 2.679 16.134 -5.695 375 H MET 57 H MET 57 0.702 12.613 -2.824 376 HA MET 57 HA MET 57 -2.137 12.602 -3.310 377 HB2 MET 57 HB2 MET 57 -2.232 10.173 -3.860 378 HB3 MET 57 HB3 MET 57 -1.502 11.155 -5.121 379 HG2 MET 57 HG2 MET 57 0.732 10.486 -4.246 380 HG3 MET 57 HG3 MET 57 -0.091 9.375 -3.152 381 HE1 MET 57 HE1 MET 57 -0.148 9.028 -7.756 382 HE2 MET 57 HE2 MET 57 0.710 10.283 -6.865 383 HE3 MET 57 HE3 MET 57 -1.053 10.274 -6.897 384 H SER 58 H SER 58 -3.164 10.740 -1.915 385 HA SER 58 HA SER 58 -2.046 11.086 0.729 386 HB2 SER 58 HB2 SER 58 -4.520 9.553 -0.109 387 HB3 SER 58 HB3 SER 58 -4.116 10.102 1.518 388 HG SER 58 HG SER 58 -4.301 12.244 0.794 389 H VAL 59 H VAL 59 -2.355 8.927 2.177 390 HA VAL 59 HA VAL 59 -0.228 7.250 1.396 391 HB VAL 59 HB VAL 59 -2.346 6.581 3.443 392 HG11 VAL 59 HG11 VAL 59 -0.555 5.274 4.489 393 HG12 VAL 59 HG12 VAL 59 0.527 5.706 3.167 394 HG13 VAL 59 HG13 VAL 59 -0.897 4.714 2.850 395 HG21 VAL 59 HG21 VAL 59 -0.873 7.646 5.091 396 HG22 VAL 59 HG22 VAL 59 -1.450 8.802 3.892 397 HG23 VAL 59 HG23 VAL 59 0.195 8.175 3.791 398 H GLU 60 H GLU 60 -3.734 6.770 1.343 399 HA GLU 60 HA GLU 60 -3.792 4.128 0.458 400 HB2 GLU 60 HB2 GLU 60 -5.726 6.374 -0.046 401 HB3 GLU 60 HB3 GLU 60 -6.040 4.691 -0.431 402 HG2 GLU 60 HG2 GLU 60 -5.780 4.112 1.936 403 HG3 GLU 60 HG3 GLU 60 -5.530 5.816 2.308 404 H GLN 61 H GLN 61 -4.104 7.061 -1.530 405 HA GLN 61 HA GLN 61 -3.982 5.725 -3.994 406 HB2 GLN 61 HB2 GLN 61 -3.278 8.555 -3.224 407 HB3 GLN 61 HB3 GLN 61 -3.231 7.984 -4.884 408 HG2 GLN 61 HG2 GLN 61 -5.287 9.127 -4.540 409 HG3 GLN 61 HG3 GLN 61 -5.638 7.408 -4.694 410 HE21 GLN 61 HE21 GLN 61 -7.603 7.622 -3.633 411 HE22 GLN 61 HE22 GLN 61 -7.709 7.895 -1.930 412 H GLY 62 H GLY 62 -1.479 7.132 -1.944 413 HA2 GLY 62 HA2 GLY 62 0.711 6.897 -3.626 414 HA3 GLY 62 HA3 GLY 62 0.779 6.830 -1.871 415 H LEU 63 H LEU 63 -0.274 4.559 -1.108 416 HA LEU 63 HA LEU 63 1.697 2.672 -1.742 417 HB2 LEU 63 HB2 LEU 63 -0.814 2.686 -0.179 418 HB3 LEU 63 HB3 LEU 63 -0.201 1.119 -0.651 419 HG LEU 63 HG LEU 63 0.516 1.753 1.610 420 HD11 LEU 63 HD11 LEU 63 2.900 1.308 1.351 421 HD12 LEU 63 HD12 LEU 63 2.791 1.672 -0.371 422 HD13 LEU 63 HD13 LEU 63 1.942 0.276 0.290 423 HD21 LEU 63 HD21 LEU 63 2.116 3.566 1.930 424 HD22 LEU 63 HD22 LEU 63 0.580 4.169 1.309 425 HD23 LEU 63 HD23 LEU 63 1.966 4.008 0.231 426 H ARG 64 H ARG 64 -1.703 2.853 -2.760 427 HA ARG 64 HA ARG 64 -1.701 0.393 -4.126 428 HB2 ARG 64 HB2 ARG 64 -3.443 2.827 -4.547 429 HB3 ARG 64 HB3 ARG 64 -3.758 1.234 -5.226 430 HG2 ARG 64 HG2 ARG 64 -3.990 0.294 -3.011 431 HG3 ARG 64 HG3 ARG 64 -3.573 1.843 -2.284 432 HD2 ARG 64 HD2 ARG 64 -5.579 2.824 -3.375 433 HD3 ARG 64 HD3 ARG 64 -6.015 1.207 -3.928 434 HE ARG 64 HE ARG 64 -6.006 0.624 -1.454 435 HH11 ARG 64 HH11 ARG 64 -6.856 3.773 -2.698 436 HH12 ARG 64 HH12 ARG 64 -7.809 4.213 -1.323 437 HH21 ARG 64 HH21 ARG 64 -7.237 1.211 0.394 438 HH22 ARG 64 HH22 ARG 64 -8.002 2.771 0.453 439 H ARG 65 H ARG 65 -0.884 3.655 -5.152 440 HA ARG 65 HA ARG 65 -0.486 2.928 -7.904 441 HB2 ARG 65 HB2 ARG 65 -1.129 5.206 -7.265 442 HB3 ARG 65 HB3 ARG 65 0.359 5.379 -6.350 443 HG2 ARG 65 HG2 ARG 65 0.455 6.532 -8.499 444 HG3 ARG 65 HG3 ARG 65 1.662 5.251 -8.387 445 HD2 ARG 65 HD2 ARG 65 0.510 5.332 -10.575 446 HD3 ARG 65 HD3 ARG 65 0.322 3.792 -9.740 447 HE ARG 65 HE ARG 65 -1.902 5.031 -8.987 448 HH11 ARG 65 HH11 ARG 65 -0.407 4.834 -12.145 449 HH12 ARG 65 HH12 ARG 65 -1.911 4.912 -13.001 450 HH21 ARG 65 HH21 ARG 65 -3.881 5.132 -10.106 451 HH22 ARG 65 HH22 ARG 65 -3.893 5.077 -11.840 452 H LEU 66 H LEU 66 1.493 3.365 -5.061 453 HA LEU 66 HA LEU 66 4.043 3.366 -6.194 454 HB2 LEU 66 HB2 LEU 66 3.245 3.865 -3.794 455 HB3 LEU 66 HB3 LEU 66 3.362 2.142 -3.532 456 HG LEU 66 HG LEU 66 5.731 3.756 -4.454 457 HD11 LEU 66 HD11 LEU 66 6.392 3.935 -2.112 458 HD12 LEU 66 HD12 LEU 66 4.881 3.171 -1.617 459 HD13 LEU 66 HD13 LEU 66 4.855 4.757 -2.391 460 HD21 LEU 66 HD21 LEU 66 5.869 1.312 -4.666 461 HD22 LEU 66 HD22 LEU 66 5.488 1.148 -2.951 462 HD23 LEU 66 HD23 LEU 66 6.989 1.927 -3.450 463 H ILE 67 H ILE 67 2.084 0.670 -4.969 464 HA ILE 67 HA ILE 67 4.193 -1.229 -5.421 465 HB ILE 67 HB ILE 67 1.288 -1.836 -4.866 466 HG12 ILE 67 HG12 ILE 67 3.439 -1.535 -2.771 467 HG13 ILE 67 HG13 ILE 67 2.406 -0.189 -3.242 468 HG21 ILE 67 HG21 ILE 67 2.205 -3.879 -3.851 469 HG22 ILE 67 HG22 ILE 67 3.825 -3.373 -4.327 470 HG23 ILE 67 HG23 ILE 67 2.623 -3.744 -5.559 471 HD11 ILE 67 HD11 ILE 67 1.525 -2.795 -2.018 472 HD12 ILE 67 HD12 ILE 67 0.434 -1.535 -2.594 473 HD13 ILE 67 HD13 ILE 67 1.529 -1.205 -1.250 474 H GLY 68 H GLY 68 0.867 -1.061 -6.727 475 HA2 GLY 68 HA2 GLY 68 1.891 -2.405 -9.149 476 HA3 GLY 68 HA3 GLY 68 0.295 -2.692 -8.481 477 H GLY 69 H GLY 69 -0.410 0.014 -7.979 478 HA2 GLY 69 HA2 GLY 69 -1.098 1.890 -9.317 479 HA3 GLY 69 HA3 GLY 69 -0.769 0.936 -10.755 480 H ASN 70 H ASN 70 -2.129 -1.151 -8.693 481 HA ASN 70 HA ASN 70 -4.789 -0.812 -9.879 482 HB2 ASN 70 HB2 ASN 70 -3.543 -3.227 -8.539 483 HB3 ASN 70 HB3 ASN 70 -5.143 -3.182 -9.271 484 HD21 ASN 70 HD21 ASN 70 -1.746 -3.346 -9.825 485 HD22 ASN 70 HD22 ASN 70 -1.822 -3.656 -11.523 486 HA PRO 71 HA PRO 71 -6.670 0.115 -5.906 487 HB2 PRO 71 HB2 PRO 71 -8.869 -1.650 -6.818 488 HB3 PRO 71 HB3 PRO 71 -8.924 0.042 -6.316 489 HG2 PRO 71 HG2 PRO 71 -9.189 -0.635 -8.881 490 HG3 PRO 71 HG3 PRO 71 -8.295 0.820 -8.405 491 HD2 PRO 71 HD2 PRO 71 -7.251 -1.849 -9.264 492 HD3 PRO 71 HD3 PRO 71 -6.661 -0.223 -9.666 493 H VAL 72 H VAL 72 -6.113 -0.891 -4.056 494 HA VAL 72 HA VAL 72 -6.429 -3.750 -3.738 495 HB VAL 72 HB VAL 72 -4.242 -3.390 -4.949 496 HG11 VAL 72 HG11 VAL 72 -3.523 -2.041 -2.359 497 HG12 VAL 72 HG12 VAL 72 -3.490 -1.355 -3.984 498 HG13 VAL 72 HG13 VAL 72 -2.341 -2.613 -3.535 499 HG21 VAL 72 HG21 VAL 72 -2.980 -4.947 -3.552 500 HG22 VAL 72 HG22 VAL 72 -4.675 -5.421 -3.674 501 HG23 VAL 72 HG23 VAL 72 -4.080 -4.639 -2.209 502 H ALA 73 H ALA 73 -5.777 -4.434 -1.484 503 HA ALA 73 HA ALA 73 -6.298 -2.196 0.355 504 HB1 ALA 73 HB1 ALA 73 -8.137 -3.775 0.276 505 HB2 ALA 73 HB2 ALA 73 -7.331 -3.857 1.843 506 HB3 ALA 73 HB3 ALA 73 -7.037 -5.105 0.632 507 H PHE 74 H PHE 74 -4.812 -1.775 1.843 508 HA PHE 74 HA PHE 74 -2.804 -3.819 2.457 509 HB2 PHE 74 HB2 PHE 74 -1.008 -2.129 2.310 510 HB3 PHE 74 HB3 PHE 74 -1.822 -2.345 0.769 511 HD1 PHE 74 HD1 PHE 74 -3.537 -0.631 0.052 512 HD2 PHE 74 HD2 PHE 74 -0.884 -0.033 3.324 513 HE1 PHE 74 HE1 PHE 74 -3.929 1.796 -0.072 514 HE2 PHE 74 HE2 PHE 74 -1.280 2.391 3.186 515 HZ PHE 74 HZ PHE 74 -2.786 3.294 1.518 516 H ARG 75 H ARG 75 -2.124 -3.866 4.541 517 HA ARG 75 HA ARG 75 -3.757 -2.363 6.422 518 HB2 ARG 75 HB2 ARG 75 -1.691 -4.506 6.941 519 HB3 ARG 75 HB3 ARG 75 -2.814 -3.846 8.119 520 HG2 ARG 75 HG2 ARG 75 -3.593 -5.394 5.661 521 HG3 ARG 75 HG3 ARG 75 -3.486 -6.051 7.294 522 HD2 ARG 75 HD2 ARG 75 -5.184 -4.350 7.995 523 HD3 ARG 75 HD3 ARG 75 -5.374 -3.929 6.292 524 HE ARG 75 HE ARG 75 -5.685 -6.701 6.585 525 HH11 ARG 75 HH11 ARG 75 -7.370 -3.723 7.345 526 HH12 ARG 75 HH12 ARG 75 -8.936 -4.472 7.367 527 HH21 ARG 75 HH21 ARG 75 -7.742 -7.673 6.607 528 HH22 ARG 75 HH22 ARG 75 -9.144 -6.710 6.948 529 H LEU 76 H LEU 76 -3.058 -0.743 7.670 530 HA LEU 76 HA LEU 76 -0.174 -0.131 7.653 531 HB2 LEU 76 HB2 LEU 76 -2.516 1.762 7.842 532 HB3 LEU 76 HB3 LEU 76 -0.845 2.230 8.055 533 HG LEU 76 HG LEU 76 -2.022 1.143 5.497 534 HD11 LEU 76 HD11 LEU 76 -2.910 3.339 6.088 535 HD12 LEU 76 HD12 LEU 76 -1.822 3.452 4.708 536 HD13 LEU 76 HD13 LEU 76 -1.272 3.953 6.305 537 HD21 LEU 76 HD21 LEU 76 0.097 1.839 4.491 538 HD22 LEU 76 HD22 LEU 76 0.373 0.653 5.770 539 HD23 LEU 76 HD23 LEU 76 0.684 2.360 6.075 540 H GLN 77 H GLN 77 0.603 -0.787 9.608 541 HA GLN 77 HA GLN 77 -0.959 0.044 11.958 542 HB2 GLN 77 HB2 GLN 77 1.357 -1.882 11.740 543 HB3 GLN 77 HB3 GLN 77 0.635 -1.376 13.261 544 HG2 GLN 77 HG2 GLN 77 -1.568 -2.236 12.272 545 HG3 GLN 77 HG3 GLN 77 -0.551 -3.055 11.087 546 HE21 GLN 77 HE21 GLN 77 -1.154 -5.088 11.813 547 HE22 GLN 77 HE22 GLN 77 -0.605 -5.727 13.323 548 HA PRO 78 HA PRO 78 1.283 3.830 11.839 549 HB2 PRO 78 HB2 PRO 78 0.852 3.576 14.792 550 HB3 PRO 78 HB3 PRO 78 0.619 4.980 13.741 551 HG2 PRO 78 HG2 PRO 78 -1.466 3.537 14.517 552 HG3 PRO 78 HG3 PRO 78 -1.364 4.153 12.857 553 HD2 PRO 78 HD2 PRO 78 -0.999 1.385 13.873 554 HD3 PRO 78 HD3 PRO 78 -1.599 1.943 12.300 555 H GLN 79 H GLN 79 2.118 1.629 14.511 556 HA GLN 79 HA GLN 79 4.939 2.333 14.082 557 HB2 GLN 79 HB2 GLN 79 5.238 1.606 16.500 558 HB3 GLN 79 HB3 GLN 79 4.408 3.133 16.231 559 HG2 GLN 79 HG2 GLN 79 2.269 2.019 16.528 560 HG3 GLN 79 HG3 GLN 79 3.096 0.492 16.817 561 HE21 GLN 79 HE21 GLN 79 4.196 0.182 18.745 562 HE22 GLN 79 HE22 GLN 79 3.949 1.203 20.120 563 H GLY 80 H GLY 80 3.374 0.268 12.745 564 HA2 GLY 80 HA2 GLY 80 4.861 -2.091 13.709 565 HA3 GLY 80 HA3 GLY 80 3.206 -2.200 13.123 566 H GLN 81 H GLN 81 2.890 -2.593 11.015 567 HA GLN 81 HA GLN 81 5.122 -2.248 9.172 568 HB2 GLN 81 HB2 GLN 81 5.181 -4.534 8.494 569 HB3 GLN 81 HB3 GLN 81 5.355 -4.494 10.239 570 HG2 GLN 81 HG2 GLN 81 2.744 -5.033 8.854 571 HG3 GLN 81 HG3 GLN 81 3.877 -6.302 9.309 572 HE21 GLN 81 HE21 GLN 81 4.661 -4.999 11.792 573 HE22 GLN 81 HE22 GLN 81 3.327 -5.188 12.877 574 H ILE 82 H ILE 82 4.518 -2.947 6.938 575 HA ILE 82 HA ILE 82 1.675 -2.387 6.382 576 HB ILE 82 HB ILE 82 4.019 -1.898 4.530 577 HG12 ILE 82 HG12 ILE 82 2.415 0.109 6.133 578 HG13 ILE 82 HG13 ILE 82 4.072 -0.376 6.478 579 HG21 ILE 82 HG21 ILE 82 1.117 -1.100 4.326 580 HG22 ILE 82 HG22 ILE 82 1.923 -2.350 3.379 581 HG23 ILE 82 HG23 ILE 82 2.388 -0.661 3.184 582 HD11 ILE 82 HD11 ILE 82 4.781 0.543 4.327 583 HD12 ILE 82 HD12 ILE 82 4.011 1.760 5.343 584 HD13 ILE 82 HD13 ILE 82 3.121 1.043 4.001 585 H VAL 83 H VAL 83 0.601 -4.084 5.594 586 HA VAL 83 HA VAL 83 2.058 -5.994 3.901 587 HB VAL 83 HB VAL 83 0.565 -7.816 4.771 588 HG11 VAL 83 HG11 VAL 83 2.409 -6.503 6.761 589 HG12 VAL 83 HG12 VAL 83 2.867 -7.654 5.505 590 HG13 VAL 83 HG13 VAL 83 1.838 -8.169 6.841 591 HG21 VAL 83 HG21 VAL 83 -0.503 -7.514 6.938 592 HG22 VAL 83 HG22 VAL 83 -1.180 -6.408 5.741 593 HG23 VAL 83 HG23 VAL 83 -0.031 -5.816 6.942 594 H LEU 84 H LEU 84 0.963 -6.805 2.155 595 HA LEU 84 HA LEU 84 -1.396 -5.236 1.391 596 HB2 LEU 84 HB2 LEU 84 0.755 -5.184 0.039 597 HB3 LEU 84 HB3 LEU 84 0.419 -6.847 -0.398 598 HG LEU 84 HG LEU 84 -1.719 -6.101 -1.424 599 HD11 LEU 84 HD11 LEU 84 -2.088 -4.098 -0.138 600 HD12 LEU 84 HD12 LEU 84 -1.998 -3.693 -1.850 601 HD13 LEU 84 HD13 LEU 84 -0.624 -3.368 -0.793 602 HD21 LEU 84 HD21 LEU 84 -0.696 -5.066 -3.390 603 HD22 LEU 84 HD22 LEU 84 0.269 -6.416 -2.794 604 HD23 LEU 84 HD23 LEU 84 0.772 -4.759 -2.464 605 H SER 85 H SER 85 -3.291 -6.252 0.629 606 HA SER 85 HA SER 85 -3.331 -9.152 0.452 607 HB2 SER 85 HB2 SER 85 -5.019 -7.720 2.519 608 HB3 SER 85 HB3 SER 85 -5.046 -9.447 2.167 609 HG SER 85 HG SER 85 -2.535 -8.827 2.665 610 H ARG 86 H ARG 86 -5.041 -9.924 -0.747 611 HA ARG 86 HA ARG 86 -6.706 -7.947 -2.064 612 HB2 ARG 86 HB2 ARG 86 -6.371 -10.921 -2.449 613 HB3 ARG 86 HB3 ARG 86 -7.557 -9.973 -3.326 614 HG2 ARG 86 HG2 ARG 86 -4.567 -9.745 -3.461 615 HG3 ARG 86 HG3 ARG 86 -5.673 -10.259 -4.735 616 HD2 ARG 86 HD2 ARG 86 -5.238 -7.511 -3.613 617 HD3 ARG 86 HD3 ARG 86 -5.108 -8.053 -5.284 618 HE ARG 86 HE ARG 86 -7.757 -8.419 -4.398 619 HH11 ARG 86 HH11 ARG 86 -5.523 -5.920 -5.374 620 HH12 ARG 86 HH12 ARG 86 -6.765 -4.749 -5.699 621 HH21 ARG 86 HH21 ARG 86 -9.402 -6.901 -4.837 622 HH22 ARG 86 HH22 ARG 86 -8.972 -5.300 -5.360 623 H LEU 87 H LEU 87 -7.943 -7.327 -0.196 624 HA LEU 87 HA LEU 87 -9.633 -9.238 1.096 625 HB2 LEU 87 HB2 LEU 87 -9.452 -6.253 1.137 626 HB3 LEU 87 HB3 LEU 87 -10.861 -7.048 1.810 627 HG LEU 87 HG LEU 87 -9.212 -8.391 3.237 628 HD11 LEU 87 HD11 LEU 87 -7.396 -6.132 2.426 629 HD12 LEU 87 HD12 LEU 87 -7.188 -7.831 2.002 630 HD13 LEU 87 HD13 LEU 87 -7.077 -7.320 3.687 631 HD21 LEU 87 HD21 LEU 87 -10.682 -6.685 4.127 632 HD22 LEU 87 HD22 LEU 87 -9.532 -5.430 3.668 633 HD23 LEU 87 HD23 LEU 87 -9.101 -6.610 4.906 634 HA PRO 88 HA PRO 88 -12.566 -9.216 -2.219 635 HB2 PRO 88 HB2 PRO 88 -14.001 -11.315 -1.413 636 HB3 PRO 88 HB3 PRO 88 -12.340 -11.505 -1.985 637 HG2 PRO 88 HG2 PRO 88 -13.396 -11.511 0.805 638 HG3 PRO 88 HG3 PRO 88 -12.101 -12.487 0.094 639 HD2 PRO 88 HD2 PRO 88 -11.748 -10.179 1.634 640 HD3 PRO 88 HD3 PRO 88 -10.530 -10.918 0.574 641 H THR 89 H THR 89 -14.350 -8.057 -2.529 642 HA THR 89 HA THR 89 -16.075 -7.327 -0.331 643 HB THR 89 HB THR 89 -15.538 -5.717 -2.180 644 HG1 THR 89 HG1 THR 89 -17.901 -5.202 -2.524 645 HG21 THR 89 HG21 THR 89 -16.738 -5.943 -4.308 646 HG22 THR 89 HG22 THR 89 -17.334 -7.524 -3.800 647 HG23 THR 89 HG23 THR 89 -15.607 -7.274 -4.061 648 H ALA 90 H ALA 90 -18.282 -7.902 -0.189 649 HA ALA 90 HA ALA 90 -18.728 -10.647 -0.861 650 HB1 ALA 90 HB1 ALA 90 -19.423 -9.649 1.278 651 HB2 ALA 90 HB2 ALA 90 -20.751 -10.433 0.427 652 HB3 ALA 90 HB3 ALA 90 -20.611 -8.675 0.413 653 H ASN 91 H ASN 91 -19.311 -11.230 -2.830 654 HA ASN 91 HA ASN 91 -20.654 -9.433 -4.628 655 HB2 ASN 91 HB2 ASN 91 -18.915 -10.949 -5.454 656 HB3 ASN 91 HB3 ASN 91 -19.878 -12.339 -4.964 657 HD21 ASN 91 HD21 ASN 91 -21.579 -12.994 -6.224 658 HD22 ASN 91 HD22 ASN 91 -21.900 -12.338 -7.791 659 H GLY 92 H GLY 92 -21.490 -12.423 -2.923 660 HA2 GLY 92 HA2 GLY 92 -24.095 -12.616 -4.106 661 HA3 GLY 92 HA3 GLY 92 -23.501 -13.543 -2.735 662 H ASP 93 H ASP 93 -22.797 -11.319 -1.119 663 HA ASP 93 HA ASP 93 -25.286 -10.714 0.105 664 HB2 ASP 93 HB2 ASP 93 -23.330 -10.827 1.480 665 HB3 ASP 93 HB3 ASP 93 -22.495 -9.636 0.494 666 H GLY 94 H GLY 94 -23.387 -9.165 -2.332 667 HA2 GLY 94 HA2 GLY 94 -24.262 -7.527 -3.800 668 HA3 GLY 94 HA3 GLY 94 -25.412 -7.062 -2.557 669 H GLY 95 H GLY 95 -23.313 -6.971 -0.477 670 HA2 GLY 95 HA2 GLY 95 -21.185 -5.757 -0.262 671 HA3 GLY 95 HA3 GLY 95 -21.811 -4.621 -1.445 672 H ALA 96 H ALA 96 -22.767 -6.014 1.689 673 HA ALA 96 HA ALA 96 -24.182 -3.756 2.604 674 HB1 ALA 96 HB1 ALA 96 -22.733 -5.864 4.210 675 HB2 ALA 96 HB2 ALA 96 -24.390 -5.977 3.616 676 HB3 ALA 96 HB3 ALA 96 -23.967 -4.761 4.819 677 H LEU 97 H LEU 97 -23.437 -2.567 4.654 678 HA LEU 97 HA LEU 97 -21.170 -1.016 3.874 679 HB2 LEU 97 HB2 LEU 97 -21.716 0.209 6.069 680 HB3 LEU 97 HB3 LEU 97 -22.849 0.290 4.738 681 HG LEU 97 HG LEU 97 -24.091 -1.629 5.917 682 HD11 LEU 97 HD11 LEU 97 -22.433 -0.646 8.228 683 HD12 LEU 97 HD12 LEU 97 -22.348 -2.247 7.496 684 HD13 LEU 97 HD13 LEU 97 -23.813 -1.738 8.334 685 HD21 LEU 97 HD21 LEU 97 -24.949 0.631 5.764 686 HD22 LEU 97 HD22 LEU 97 -23.980 1.112 7.155 687 HD23 LEU 97 HD23 LEU 97 -25.289 -0.053 7.353 688 H ALA 98 H ALA 98 -20.453 -3.661 4.496 689 HA ALA 98 HA ALA 98 -18.409 -3.064 6.523 690 HB1 ALA 98 HB1 ALA 98 -18.391 -5.422 7.173 691 HB2 ALA 98 HB2 ALA 98 -19.706 -5.750 6.046 692 HB3 ALA 98 HB3 ALA 98 -19.980 -4.708 7.441 693 H LEU 99 H LEU 99 -19.231 -3.918 3.382 694 HA LEU 99 HA LEU 99 -16.495 -4.809 2.792 695 HB2 LEU 99 HB2 LEU 99 -19.047 -5.497 1.329 696 HB3 LEU 99 HB3 LEU 99 -17.443 -5.927 0.780 697 HG LEU 99 HG LEU 99 -18.284 -7.887 1.722 698 HD11 LEU 99 HD11 LEU 99 -16.669 -6.576 3.894 699 HD12 LEU 99 HD12 LEU 99 -16.031 -7.415 2.480 700 HD13 LEU 99 HD13 LEU 99 -16.936 -8.306 3.703 701 HD21 LEU 99 HD21 LEU 99 -19.250 -6.261 4.067 702 HD22 LEU 99 HD22 LEU 99 -19.353 -8.016 3.928 703 HD23 LEU 99 HD23 LEU 99 -20.248 -6.988 2.807 704 H ASP 100 H ASP 100 -18.686 -2.326 2.484 705 HA ASP 100 HA ASP 100 -18.303 -1.543 -0.210 706 HB2 ASP 100 HB2 ASP 100 -19.376 0.529 0.407 707 HB3 ASP 100 HB3 ASP 100 -20.202 -0.793 1.223 708 H SER 101 H SER 101 -16.660 -0.744 2.801 709 HA SER 101 HA SER 101 -14.928 1.231 1.833 710 HB2 SER 101 HB2 SER 101 -14.320 -0.818 3.977 711 HB3 SER 101 HB3 SER 101 -13.596 0.780 3.801 712 HG SER 101 HG SER 101 -15.197 0.889 5.357 713 H LEU 102 H LEU 102 -14.988 -2.170 1.337 714 HA LEU 102 HA LEU 102 -12.209 -2.278 0.452 715 HB2 LEU 102 HB2 LEU 102 -14.280 -4.473 0.568 716 HB3 LEU 102 HB3 LEU 102 -12.560 -4.677 0.293 717 HG LEU 102 HG LEU 102 -13.789 -3.639 2.849 718 HD11 LEU 102 HD11 LEU 102 -14.333 -5.966 2.552 719 HD12 LEU 102 HD12 LEU 102 -13.081 -5.808 3.784 720 HD13 LEU 102 HD13 LEU 102 -12.658 -6.343 2.159 721 HD21 LEU 102 HD21 LEU 102 -11.529 -3.946 3.762 722 HD22 LEU 102 HD22 LEU 102 -11.567 -2.747 2.470 723 HD23 LEU 102 HD23 LEU 102 -10.947 -4.367 2.151 724 H THR 103 H THR 103 -15.097 -1.393 -0.830 725 HA THR 103 HA THR 103 -14.634 -2.567 -3.465 726 HB THR 103 HB THR 103 -16.868 -0.698 -2.667 727 HG1 THR 103 HG1 THR 103 -16.516 -3.024 -1.625 728 HG21 THR 103 HG21 THR 103 -16.514 -0.945 -5.072 729 HG22 THR 103 HG22 THR 103 -18.020 -1.719 -4.583 730 HG23 THR 103 HG23 THR 103 -16.593 -2.700 -4.914 731 H VAL 104 H VAL 104 -15.098 0.616 -1.980 732 HA VAL 104 HA VAL 104 -14.560 2.144 -4.260 733 HB VAL 104 HB VAL 104 -14.099 4.021 -2.631 734 HG11 VAL 104 HG11 VAL 104 -16.432 4.140 -1.883 735 HG12 VAL 104 HG12 VAL 104 -16.643 2.437 -2.288 736 HG13 VAL 104 HG13 VAL 104 -16.310 3.612 -3.561 737 HG21 VAL 104 HG21 VAL 104 -13.243 2.678 -0.768 738 HG22 VAL 104 HG22 VAL 104 -14.820 1.910 -0.593 739 HG23 VAL 104 HG23 VAL 104 -14.639 3.635 -0.275 740 H LEU 105 H LEU 105 -12.797 1.919 -5.403 741 HA LEU 105 HA LEU 105 -10.644 1.743 -6.060 742 HB2 LEU 105 HB2 LEU 105 -10.639 4.021 -4.963 743 HB3 LEU 105 HB3 LEU 105 -9.956 3.257 -3.542 744 HG LEU 105 HG LEU 105 -7.973 2.598 -4.827 745 HD11 LEU 105 HD11 LEU 105 -7.635 3.477 -7.093 746 HD12 LEU 105 HD12 LEU 105 -9.296 4.069 -7.102 747 HD13 LEU 105 HD13 LEU 105 -8.976 2.336 -7.018 748 HD21 LEU 105 HD21 LEU 105 -7.974 4.745 -3.669 749 HD22 LEU 105 HD22 LEU 105 -8.643 5.525 -5.101 750 HD23 LEU 105 HD23 LEU 105 -7.027 4.825 -5.153 751 H GLY 106 H GLY 106 -11.770 -0.337 -4.440 752 HA2 GLY 106 HA2 GLY 106 -9.288 -1.437 -3.267 753 HA3 GLY 106 HA3 GLY 106 -10.888 -1.788 -2.627 754 H ALA 107 H ALA 107 -12.176 -2.107 -5.162 755 HA ALA 107 HA ALA 107 -11.549 -4.839 -5.660 756 HB1 ALA 107 HB1 ALA 107 -13.369 -2.971 -7.175 757 HB2 ALA 107 HB2 ALA 107 -13.835 -3.997 -5.818 758 HB3 ALA 107 HB3 ALA 107 -13.322 -4.726 -7.339 759 H GLY 108 H GLY 108 -10.186 -5.696 -7.109 760 HA2 GLY 108 HA2 GLY 108 -9.612 -4.764 -9.649 761 HA3 GLY 108 HA3 GLY 108 -8.433 -4.012 -8.584 762 H GLY 109 H GLY 109 -6.922 -5.248 -9.944 763 HA2 GLY 109 HA2 GLY 109 -6.852 -8.114 -9.326 764 HA3 GLY 109 HA3 GLY 109 -5.957 -7.319 -10.611 765 H ASN 110 H ASN 110 -4.358 -8.828 -9.476 766 HA ASN 110 HA ASN 110 -3.214 -7.983 -7.001 767 HB2 ASN 110 HB2 ASN 110 -2.219 -9.805 -9.200 768 HB3 ASN 110 HB3 ASN 110 -1.318 -9.510 -7.718 769 HD21 ASN 110 HD21 ASN 110 -2.541 -11.950 -8.853 770 HD22 ASN 110 HD22 ASN 110 -3.562 -12.570 -7.603 771 H ASN 111 H ASN 111 -1.653 -6.547 -6.615 772 HA ASN 111 HA ASN 111 -0.804 -4.694 -8.568 773 HB2 ASN 111 HB2 ASN 111 -0.047 -5.256 -5.737 774 HB3 ASN 111 HB3 ASN 111 1.029 -4.255 -6.702 775 HD21 ASN 111 HD21 ASN 111 -0.295 -3.369 -4.428 776 HD22 ASN 111 HD22 ASN 111 -1.417 -2.136 -4.890 777 H ALA 112 H ALA 112 0.582 -7.647 -7.324 778 HA ALA 112 HA ALA 112 2.766 -7.366 -9.272 779 HB1 ALA 112 HB1 ALA 112 2.897 -8.770 -6.605 780 HB2 ALA 112 HB2 ALA 112 3.601 -7.195 -6.970 781 HB3 ALA 112 HB3 ALA 112 4.204 -8.640 -7.781 Start of MODEL 10 1 H1 SER 6 H1 SER 6 -12.317 19.608 8.146 2 H2 SER 6 H2 SER 6 -13.523 19.935 7.009 3 H3 SER 6 H3 SER 6 -12.944 21.170 8.006 4 HA SER 6 HA SER 6 -12.051 21.369 5.792 5 HB2 SER 6 HB2 SER 6 -9.981 20.514 7.831 6 HB3 SER 6 HB3 SER 6 -9.693 21.540 6.430 7 HG SER 6 HG SER 6 -9.983 22.771 8.336 8 H MET 7 H MET 7 -12.669 19.761 4.346 9 HA MET 7 HA MET 7 -11.765 17.088 4.467 10 HB2 MET 7 HB2 MET 7 -12.701 16.842 2.238 11 HB3 MET 7 HB3 MET 7 -13.798 17.759 3.260 12 HG2 MET 7 HG2 MET 7 -12.999 19.837 2.227 13 HG3 MET 7 HG3 MET 7 -11.944 18.893 1.177 14 HE1 MET 7 HE1 MET 7 -14.000 21.029 0.087 15 HE2 MET 7 HE2 MET 7 -14.726 20.172 -1.270 16 HE3 MET 7 HE3 MET 7 -12.990 20.056 -0.981 17 H ALA 8 H ALA 8 -10.391 19.975 3.094 18 HA ALA 8 HA ALA 8 -8.553 18.700 1.338 19 HB1 ALA 8 HB1 ALA 8 -8.377 21.429 2.613 20 HB2 ALA 8 HB2 ALA 8 -9.188 21.055 1.092 21 HB3 ALA 8 HB3 ALA 8 -7.440 20.864 1.229 22 H GLN 9 H GLN 9 -8.472 19.613 4.720 23 HA GLN 9 HA GLN 9 -5.693 18.900 5.036 24 HB2 GLN 9 HB2 GLN 9 -7.843 19.539 7.063 25 HB3 GLN 9 HB3 GLN 9 -6.158 19.238 7.466 26 HG2 GLN 9 HG2 GLN 9 -7.155 21.461 5.698 27 HG3 GLN 9 HG3 GLN 9 -6.700 21.626 7.392 28 HE21 GLN 9 HE21 GLN 9 -5.606 22.914 5.015 29 HE22 GLN 9 HE22 GLN 9 -3.917 22.537 5.004 30 H ALA 10 H ALA 10 -8.843 17.467 5.616 31 HA ALA 10 HA ALA 10 -7.987 15.149 6.964 32 HB1 ALA 10 HB1 ALA 10 -10.375 15.471 5.152 33 HB2 ALA 10 HB2 ALA 10 -10.332 15.878 6.867 34 HB3 ALA 10 HB3 ALA 10 -10.138 14.202 6.354 35 H ALA 11 H ALA 11 -8.538 15.811 3.526 36 HA ALA 11 HA ALA 11 -7.240 13.294 2.818 37 HB1 ALA 11 HB1 ALA 11 -8.504 15.382 1.043 38 HB2 ALA 11 HB2 ALA 11 -9.298 13.921 1.629 39 HB3 ALA 11 HB3 ALA 11 -7.922 13.797 0.534 40 H GLN 12 H GLN 12 -5.365 14.461 3.991 41 HA GLN 12 HA GLN 12 -4.010 16.587 2.736 42 HB2 GLN 12 HB2 GLN 12 -2.104 15.928 4.192 43 HB3 GLN 12 HB3 GLN 12 -3.618 16.125 5.060 44 HG2 GLN 12 HG2 GLN 12 -3.919 13.695 5.077 45 HG3 GLN 12 HG3 GLN 12 -2.388 13.507 4.223 46 HE21 GLN 12 HE21 GLN 12 -2.920 15.907 6.705 47 HE22 GLN 12 HE22 GLN 12 -1.884 15.191 7.889 48 H GLN 13 H GLN 13 -2.334 16.661 1.321 49 HA GLN 13 HA GLN 13 -1.622 14.121 0.005 50 HB2 GLN 13 HB2 GLN 13 -1.951 16.874 -1.203 51 HB3 GLN 13 HB3 GLN 13 -1.341 15.472 -2.071 52 HG2 GLN 13 HG2 GLN 13 -3.444 14.350 -1.858 53 HG3 GLN 13 HG3 GLN 13 -4.064 15.615 -0.800 54 HE21 GLN 13 HE21 GLN 13 -3.228 14.760 -4.068 55 HE22 GLN 13 HE22 GLN 13 -4.033 16.088 -4.832 56 H LYS 14 H LYS 14 0.447 13.598 0.220 57 HA LYS 14 HA LYS 14 2.422 15.759 0.583 58 HB2 LYS 14 HB2 LYS 14 2.471 12.855 1.407 59 HB3 LYS 14 HB3 LYS 14 3.914 13.857 1.396 60 HG2 LYS 14 HG2 LYS 14 1.431 14.402 3.012 61 HG3 LYS 14 HG3 LYS 14 2.914 13.663 3.624 62 HD2 LYS 14 HD2 LYS 14 4.124 15.744 2.871 63 HD3 LYS 14 HD3 LYS 14 2.540 16.464 2.576 64 HE2 LYS 14 HE2 LYS 14 3.553 15.411 5.215 65 HE3 LYS 14 HE3 LYS 14 3.413 17.108 4.763 66 HZ1 LYS 14 HZ1 LYS 14 1.147 15.206 4.976 67 HZ2 LYS 14 HZ2 LYS 14 1.033 16.855 4.613 68 HZ3 LYS 14 HZ3 LYS 14 1.564 16.360 6.138 69 H ASN 15 H ASN 15 4.239 15.816 -0.734 70 HA ASN 15 HA ASN 15 3.844 14.610 -3.326 71 HB2 ASN 15 HB2 ASN 15 4.611 16.939 -3.148 72 HB3 ASN 15 HB3 ASN 15 6.070 16.398 -2.323 73 HD21 ASN 15 HD21 ASN 15 7.437 17.226 -3.874 74 HD22 ASN 15 HD22 ASN 15 7.585 16.534 -5.452 75 H PHE 16 H PHE 16 4.239 12.481 -3.283 76 HA PHE 16 HA PHE 16 6.793 11.545 -2.185 77 HB2 PHE 16 HB2 PHE 16 4.393 9.981 -3.167 78 HB3 PHE 16 HB3 PHE 16 5.853 9.276 -2.486 79 HD1 PHE 16 HD1 PHE 16 6.457 10.088 -0.084 80 HD2 PHE 16 HD2 PHE 16 2.591 10.353 -1.817 81 HE1 PHE 16 HE1 PHE 16 5.464 10.205 2.168 82 HE2 PHE 16 HE2 PHE 16 1.583 10.477 0.425 83 HZ PHE 16 HZ PHE 16 3.023 10.403 2.423 84 H ASN 17 H ASN 17 8.345 10.652 -3.469 85 HA ASN 17 HA ASN 17 7.729 10.016 -6.228 86 HB2 ASN 17 HB2 ASN 17 9.496 11.374 -7.190 87 HB3 ASN 17 HB3 ASN 17 8.386 12.409 -6.308 88 HD21 ASN 17 HD21 ASN 17 9.072 13.386 -4.394 89 HD22 ASN 17 HD22 ASN 17 10.747 13.502 -3.980 90 H ILE 18 H ILE 18 8.545 8.105 -6.598 91 HA ILE 18 HA ILE 18 11.077 7.318 -5.342 92 HB ILE 18 HB ILE 18 8.633 5.532 -5.278 93 HG12 ILE 18 HG12 ILE 18 9.814 7.239 -3.074 94 HG13 ILE 18 HG13 ILE 18 8.227 7.423 -3.803 95 HG21 ILE 18 HG21 ILE 18 9.975 4.177 -3.741 96 HG22 ILE 18 HG22 ILE 18 11.320 5.305 -3.925 97 HG23 ILE 18 HG23 ILE 18 10.768 4.358 -5.307 98 HD11 ILE 18 HD11 ILE 18 7.586 5.239 -2.891 99 HD12 ILE 18 HD12 ILE 18 8.027 6.402 -1.645 100 HD13 ILE 18 HD13 ILE 18 9.161 5.128 -2.101 101 H ALA 19 H ALA 19 12.366 6.492 -6.853 102 HA ALA 19 HA ALA 19 11.467 5.784 -9.468 103 HB1 ALA 19 HB1 ALA 19 14.116 5.237 -8.121 104 HB2 ALA 19 HB2 ALA 19 13.713 6.675 -9.060 105 HB3 ALA 19 HB3 ALA 19 13.787 5.099 -9.849 106 H ALA 20 H ALA 20 11.816 3.584 -10.438 107 HA ALA 20 HA ALA 20 10.388 1.691 -8.882 108 HB1 ALA 20 HB1 ALA 20 10.668 0.184 -10.768 109 HB2 ALA 20 HB2 ALA 20 11.897 1.244 -11.455 110 HB3 ALA 20 HB3 ALA 20 10.227 1.797 -11.331 111 H GLN 21 H GLN 21 11.324 0.962 -7.130 112 HA GLN 21 HA GLN 21 13.987 -0.261 -7.272 113 HB2 GLN 21 HB2 GLN 21 12.291 0.474 -4.870 114 HB3 GLN 21 HB3 GLN 21 13.932 -0.155 -4.815 115 HG2 GLN 21 HG2 GLN 21 14.790 1.820 -5.861 116 HG3 GLN 21 HG3 GLN 21 13.162 2.434 -6.135 117 HE21 GLN 21 HE21 GLN 21 13.574 4.317 -5.001 118 HE22 GLN 21 HE22 GLN 21 13.705 4.350 -3.278 119 HA PRO 22 HA PRO 22 12.163 -4.377 -6.392 120 HB2 PRO 22 HB2 PRO 22 13.683 -4.422 -3.838 121 HB3 PRO 22 HB3 PRO 22 13.654 -5.610 -5.145 122 HG2 PRO 22 HG2 PRO 22 15.770 -4.026 -4.782 123 HG3 PRO 22 HG3 PRO 22 15.212 -4.451 -6.411 124 HD2 PRO 22 HD2 PRO 22 14.837 -1.910 -4.879 125 HD3 PRO 22 HD3 PRO 22 15.162 -2.145 -6.609 126 H LEU 23 H LEU 23 10.293 -4.964 -5.263 127 HA LEU 23 HA LEU 23 8.838 -2.771 -4.370 128 HB2 LEU 23 HB2 LEU 23 8.234 -5.295 -5.165 129 HB3 LEU 23 HB3 LEU 23 7.827 -5.370 -3.460 130 HG LEU 23 HG LEU 23 6.718 -3.396 -5.458 131 HD11 LEU 23 HD11 LEU 23 4.626 -4.600 -5.160 132 HD12 LEU 23 HD12 LEU 23 5.426 -5.741 -4.079 133 HD13 LEU 23 HD13 LEU 23 5.888 -5.665 -5.779 134 HD21 LEU 23 HD21 LEU 23 5.203 -2.727 -3.656 135 HD22 LEU 23 HD22 LEU 23 6.887 -2.403 -3.238 136 HD23 LEU 23 HD23 LEU 23 6.053 -3.797 -2.542 137 H GLN 24 H GLN 24 10.250 -5.388 -2.394 138 HA GLN 24 HA GLN 24 9.184 -4.350 0.037 139 HB2 GLN 24 HB2 GLN 24 11.324 -6.379 -0.548 140 HB3 GLN 24 HB3 GLN 24 10.904 -5.913 1.093 141 HG2 GLN 24 HG2 GLN 24 8.628 -6.668 0.751 142 HG3 GLN 24 HG3 GLN 24 8.992 -7.070 -0.925 143 HE21 GLN 24 HE21 GLN 24 8.359 -9.215 -0.536 144 HE22 GLN 24 HE22 GLN 24 9.385 -10.320 0.312 145 H SER 25 H SER 25 12.074 -3.736 -1.788 146 HA SER 25 HA SER 25 13.395 -2.300 0.334 147 HB2 SER 25 HB2 SER 25 13.995 -2.331 -2.637 148 HB3 SER 25 HB3 SER 25 15.071 -1.772 -1.356 149 HG SER 25 HG SER 25 15.095 -3.907 -0.541 150 H ALA 26 H ALA 26 11.161 -1.632 -2.207 151 HA ALA 26 HA ALA 26 11.478 1.134 -2.523 152 HB1 ALA 26 HB1 ALA 26 9.190 1.095 -3.397 153 HB2 ALA 26 HB2 ALA 26 8.966 -0.531 -2.743 154 HB3 ALA 26 HB3 ALA 26 10.142 -0.247 -4.031 155 H MET 27 H MET 27 9.263 -0.688 -0.444 156 HA MET 27 HA MET 27 8.275 1.678 0.838 157 HB2 MET 27 HB2 MET 27 7.987 -1.138 1.853 158 HB3 MET 27 HB3 MET 27 6.941 0.235 2.176 159 HG2 MET 27 HG2 MET 27 7.258 -1.241 -0.420 160 HG3 MET 27 HG3 MET 27 5.851 -1.229 0.644 161 HE1 MET 27 HE1 MET 27 5.982 -0.607 -2.550 162 HE2 MET 27 HE2 MET 27 4.773 0.675 -2.633 163 HE3 MET 27 HE3 MET 27 4.491 -0.736 -1.618 164 H LEU 28 H LEU 28 10.985 -0.370 1.305 165 HA LEU 28 HA LEU 28 11.502 0.220 4.004 166 HB2 LEU 28 HB2 LEU 28 12.763 -1.446 2.658 167 HB3 LEU 28 HB3 LEU 28 13.492 -0.135 1.751 168 HG LEU 28 HG LEU 28 13.855 -0.329 4.733 169 HD11 LEU 28 HD11 LEU 28 15.941 -1.555 4.310 170 HD12 LEU 28 HD12 LEU 28 15.503 -1.694 2.608 171 HD13 LEU 28 HD13 LEU 28 14.521 -2.486 3.839 172 HD21 LEU 28 HD21 LEU 28 15.542 0.845 2.520 173 HD22 LEU 28 HD22 LEU 28 15.924 0.877 4.241 174 HD23 LEU 28 HD23 LEU 28 14.519 1.754 3.633 175 H ARG 29 H ARG 29 12.133 1.927 0.996 176 HA ARG 29 HA ARG 29 13.481 4.145 2.173 177 HB2 ARG 29 HB2 ARG 29 12.188 3.696 -0.513 178 HB3 ARG 29 HB3 ARG 29 12.980 5.207 -0.086 179 HG2 ARG 29 HG2 ARG 29 14.345 2.528 0.008 180 HG3 ARG 29 HG3 ARG 29 14.391 3.610 -1.386 181 HD2 ARG 29 HD2 ARG 29 15.322 4.317 1.394 182 HD3 ARG 29 HD3 ARG 29 16.374 3.838 0.062 183 HE ARG 29 HE ARG 29 15.479 5.849 -1.123 184 HH11 ARG 29 HH11 ARG 29 15.440 5.719 2.391 185 HH12 ARG 29 HH12 ARG 29 15.547 7.445 2.565 186 HH21 ARG 29 HH21 ARG 29 15.592 8.102 -0.879 187 HH22 ARG 29 HH22 ARG 29 15.612 8.796 0.708 188 H PHE 30 H PHE 30 10.163 3.655 1.001 189 HA PHE 30 HA PHE 30 9.281 6.272 1.648 190 HB2 PHE 30 HB2 PHE 30 7.941 5.185 0.076 191 HB3 PHE 30 HB3 PHE 30 7.893 3.690 1.002 192 HD1 PHE 30 HD2 PHE 30 6.761 7.239 1.176 193 HD2 PHE 30 HD1 PHE 30 6.027 3.191 2.258 194 HE1 PHE 30 HE2 PHE 30 4.593 7.892 2.138 195 HE2 PHE 30 HE1 PHE 30 3.863 3.838 3.229 196 HZ PHE 30 HZ PHE 30 3.143 6.191 3.169 197 H ALA 31 H ALA 31 8.884 3.161 3.321 198 HA ALA 31 HA ALA 31 7.257 4.364 5.341 199 HB1 ALA 31 HB1 ALA 31 8.409 1.589 5.189 200 HB2 ALA 31 HB2 ALA 31 6.824 2.097 4.605 201 HB3 ALA 31 HB3 ALA 31 7.183 2.137 6.330 202 H GLU 32 H GLU 32 10.668 3.868 4.991 203 HA GLU 32 HA GLU 32 11.279 3.828 7.770 204 HB2 GLU 32 HB2 GLU 32 13.538 4.353 7.201 205 HB3 GLU 32 HB3 GLU 32 12.931 3.264 5.967 206 HG2 GLU 32 HG2 GLU 32 12.632 5.117 4.436 207 HG3 GLU 32 HG3 GLU 32 13.156 6.252 5.681 208 H GLN 33 H GLN 33 10.359 6.315 5.569 209 HA GLN 33 HA GLN 33 11.024 8.445 7.432 210 HB2 GLN 33 HB2 GLN 33 9.611 8.539 4.760 211 HB3 GLN 33 HB3 GLN 33 10.116 9.936 5.698 212 HG2 GLN 33 HG2 GLN 33 12.449 9.261 5.456 213 HG3 GLN 33 HG3 GLN 33 11.945 7.857 4.518 214 HE21 GLN 33 HE21 GLN 33 10.405 10.973 4.245 215 HE22 GLN 33 HE22 GLN 33 10.973 11.330 2.653 216 H ALA 34 H ALA 34 8.462 6.322 6.813 217 HA ALA 34 HA ALA 34 6.488 8.107 8.046 218 HB1 ALA 34 HB1 ALA 34 5.855 7.002 5.946 219 HB2 ALA 34 HB2 ALA 34 4.808 6.534 7.286 220 HB3 ALA 34 HB3 ALA 34 6.064 5.434 6.723 221 H GLY 35 H GLY 35 8.605 5.624 8.882 222 HA2 GLY 35 HA2 GLY 35 8.971 4.795 11.035 223 HA3 GLY 35 HA3 GLY 35 7.404 5.420 11.519 224 H MET 36 H MET 36 8.107 3.295 8.791 225 HA MET 36 HA MET 36 6.902 1.020 10.157 226 HB2 MET 36 HB2 MET 36 5.736 2.277 7.668 227 HB3 MET 36 HB3 MET 36 5.381 0.630 8.163 228 HG2 MET 36 HG2 MET 36 4.424 1.459 10.248 229 HG3 MET 36 HG3 MET 36 4.792 3.113 9.762 230 HE1 MET 36 HE1 MET 36 2.406 3.658 6.728 231 HE2 MET 36 HE2 MET 36 4.092 3.146 6.680 232 HE3 MET 36 HE3 MET 36 3.583 4.396 7.815 233 H GLN 37 H GLN 37 6.857 -0.909 8.529 234 HA GLN 37 HA GLN 37 8.878 -0.816 6.456 235 HB2 GLN 37 HB2 GLN 37 10.136 -1.232 8.590 236 HB3 GLN 37 HB3 GLN 37 9.199 -2.704 8.801 237 HG2 GLN 37 HG2 GLN 37 10.135 -3.631 6.775 238 HG3 GLN 37 HG3 GLN 37 11.005 -2.130 6.460 239 HE21 GLN 37 HE21 GLN 37 12.013 -4.835 6.821 240 HE22 GLN 37 HE22 GLN 37 13.123 -4.763 8.143 241 H VAL 38 H VAL 38 8.920 -2.944 5.260 242 HA VAL 38 HA VAL 38 6.201 -3.775 4.844 243 HB VAL 38 HB VAL 38 8.698 -4.940 3.597 244 HG11 VAL 38 HG11 VAL 38 7.185 -5.607 1.785 245 HG12 VAL 38 HG12 VAL 38 5.820 -4.967 2.699 246 HG13 VAL 38 HG13 VAL 38 6.734 -6.339 3.325 247 HG21 VAL 38 HG21 VAL 38 8.639 -2.548 3.205 248 HG22 VAL 38 HG22 VAL 38 6.978 -2.668 2.624 249 HG23 VAL 38 HG23 VAL 38 8.286 -3.426 1.716 250 H PHE 39 H PHE 39 5.203 -5.474 5.716 251 HA PHE 39 HA PHE 39 6.883 -7.551 6.953 252 HB2 PHE 39 HB2 PHE 39 5.475 -6.155 8.533 253 HB3 PHE 39 HB3 PHE 39 4.055 -6.866 7.769 254 HD1 PHE 39 HD1 PHE 39 7.048 -7.580 9.789 255 HD2 PHE 39 HD2 PHE 39 3.362 -9.080 8.285 256 HE1 PHE 39 HE1 PHE 39 7.219 -9.506 11.307 257 HE2 PHE 39 HE2 PHE 39 3.525 -11.007 9.803 258 HZ PHE 39 HZ PHE 39 5.455 -11.222 11.316 259 H PHE 40 H PHE 40 6.710 -9.506 6.132 260 HA PHE 40 HA PHE 40 4.367 -10.188 4.508 261 HB2 PHE 40 HB2 PHE 40 5.896 -11.128 2.775 262 HB3 PHE 40 HB3 PHE 40 6.020 -9.380 2.930 263 HD1 PHE 40 HD1 PHE 40 7.968 -8.396 4.159 264 HD2 PHE 40 HD2 PHE 40 7.758 -12.525 3.136 265 HE1 PHE 40 HE1 PHE 40 10.397 -8.600 4.490 266 HE2 PHE 40 HE2 PHE 40 10.184 -12.732 3.469 267 HZ PHE 40 HZ PHE 40 11.507 -10.772 4.148 268 H ASP 41 H ASP 41 3.886 -12.382 4.421 269 HA ASP 41 HA ASP 41 5.579 -14.142 6.058 270 HB2 ASP 41 HB2 ASP 41 3.602 -13.356 7.370 271 HB3 ASP 41 HB3 ASP 41 2.561 -14.118 6.173 272 H GLU 42 H GLU 42 2.566 -14.458 4.198 273 HA GLU 42 HA GLU 42 3.797 -16.706 2.770 274 HB2 GLU 42 HB2 GLU 42 0.912 -15.940 3.201 275 HB3 GLU 42 HB3 GLU 42 1.399 -17.167 2.040 276 HG2 GLU 42 HG2 GLU 42 2.454 -18.438 3.868 277 HG3 GLU 42 HG3 GLU 42 1.873 -17.229 5.012 278 H VAL 43 H VAL 43 4.992 -15.563 1.270 279 HA VAL 43 HA VAL 43 3.471 -14.538 -0.979 280 HB VAL 43 HB VAL 43 3.852 -12.510 0.334 281 HG11 VAL 43 HG11 VAL 43 5.801 -13.177 1.601 282 HG12 VAL 43 HG12 VAL 43 6.125 -11.673 0.740 283 HG13 VAL 43 HG13 VAL 43 6.778 -13.194 0.134 284 HG21 VAL 43 HG21 VAL 43 5.021 -11.169 -1.365 285 HG22 VAL 43 HG22 VAL 43 3.867 -12.294 -2.079 286 HG23 VAL 43 HG23 VAL 43 5.592 -12.654 -2.124 287 H LYS 44 H LYS 44 4.411 -15.067 -2.881 288 HA LYS 44 HA LYS 44 7.279 -15.474 -3.029 289 HB2 LYS 44 HB2 LYS 44 6.279 -17.679 -2.337 290 HB3 LYS 44 HB3 LYS 44 5.412 -17.695 -3.866 291 HG2 LYS 44 HG2 LYS 44 7.534 -17.677 -5.072 292 HG3 LYS 44 HG3 LYS 44 8.405 -17.655 -3.538 293 HD2 LYS 44 HD2 LYS 44 8.389 -19.910 -4.296 294 HD3 LYS 44 HD3 LYS 44 7.242 -19.806 -2.962 295 HE2 LYS 44 HE2 LYS 44 5.394 -19.665 -4.547 296 HE3 LYS 44 HE3 LYS 44 6.532 -19.729 -5.892 297 HZ1 LYS 44 HZ1 LYS 44 7.223 -21.935 -5.094 298 HZ2 LYS 44 HZ2 LYS 44 5.592 -21.887 -5.531 299 HZ3 LYS 44 HZ3 LYS 44 6.029 -21.870 -3.899 300 H LEU 45 H LEU 45 7.400 -13.821 -4.480 301 HA LEU 45 HA LEU 45 6.387 -14.409 -7.152 302 HB2 LEU 45 HB2 LEU 45 4.720 -12.923 -6.111 303 HB3 LEU 45 HB3 LEU 45 5.980 -11.755 -5.766 304 HG LEU 45 HG LEU 45 6.356 -11.506 -8.218 305 HD11 LEU 45 HD11 LEU 45 3.890 -13.229 -8.409 306 HD12 LEU 45 HD12 LEU 45 5.510 -13.651 -8.965 307 HD13 LEU 45 HD13 LEU 45 4.624 -12.340 -9.744 308 HD21 LEU 45 HD21 LEU 45 3.552 -10.956 -7.260 309 HD22 LEU 45 HD22 LEU 45 4.355 -10.173 -8.620 310 HD23 LEU 45 HD23 LEU 45 4.959 -9.933 -6.982 311 H ASP 46 H ASP 46 8.381 -14.740 -7.984 312 HA ASP 46 HA ASP 46 10.600 -13.024 -7.424 313 HB2 ASP 46 HB2 ASP 46 11.028 -15.326 -7.972 314 HB3 ASP 46 HB3 ASP 46 10.185 -15.172 -9.509 315 H GLY 47 H GLY 47 10.665 -11.023 -8.125 316 HA2 GLY 47 HA2 GLY 47 11.063 -9.704 -10.207 317 HA3 GLY 47 HA3 GLY 47 9.581 -10.432 -10.809 318 H MET 48 H MET 48 9.684 -9.606 -7.470 319 HA MET 48 HA MET 48 7.544 -7.755 -7.707 320 HB2 MET 48 HB2 MET 48 9.401 -8.384 -5.417 321 HB3 MET 48 HB3 MET 48 8.064 -7.253 -5.285 322 HG2 MET 48 HG2 MET 48 6.501 -9.044 -5.861 323 HG3 MET 48 HG3 MET 48 7.849 -10.174 -5.960 324 HE1 MET 48 HE1 MET 48 9.406 -10.769 -3.906 325 HE2 MET 48 HE2 MET 48 9.118 -10.232 -2.252 326 HE3 MET 48 HE3 MET 48 9.654 -9.079 -3.473 327 H GLN 49 H GLN 49 7.616 -5.725 -8.322 328 HA GLN 49 HA GLN 49 9.994 -4.119 -7.752 329 HB2 GLN 49 HB2 GLN 49 9.901 -3.177 -10.053 330 HB3 GLN 49 HB3 GLN 49 10.335 -4.879 -10.017 331 HG2 GLN 49 HG2 GLN 49 8.022 -5.464 -10.598 332 HG3 GLN 49 HG3 GLN 49 7.628 -3.747 -10.686 333 HE21 GLN 49 HE21 GLN 49 8.397 -2.527 -12.398 334 HE22 GLN 49 HE22 GLN 49 9.051 -3.248 -13.826 335 H ALA 50 H ALA 50 9.615 -1.859 -7.767 336 HA ALA 50 HA ALA 50 6.911 -1.170 -6.958 337 HB1 ALA 50 HB1 ALA 50 9.452 0.453 -6.966 338 HB2 ALA 50 HB2 ALA 50 8.790 -0.434 -5.594 339 HB3 ALA 50 HB3 ALA 50 7.918 0.948 -6.253 340 H ALA 51 H ALA 51 5.671 0.445 -7.908 341 HA ALA 51 HA ALA 51 6.100 0.854 -10.734 342 HB1 ALA 51 HB1 ALA 51 3.939 1.894 -8.905 343 HB2 ALA 51 HB2 ALA 51 3.861 0.417 -9.866 344 HB3 ALA 51 HB3 ALA 51 3.936 1.987 -10.665 345 H ALA 52 H ALA 52 5.832 3.078 -11.651 346 HA ALA 52 HA ALA 52 7.808 4.820 -10.594 347 HB1 ALA 52 HB1 ALA 52 7.209 6.303 -12.433 348 HB2 ALA 52 HB2 ALA 52 5.764 5.344 -12.750 349 HB3 ALA 52 HB3 ALA 52 7.360 4.639 -12.998 350 H LEU 53 H LEU 53 7.217 5.412 -8.558 351 HA LEU 53 HA LEU 53 4.630 6.580 -8.014 352 HB2 LEU 53 HB2 LEU 53 5.996 5.016 -6.507 353 HB3 LEU 53 HB3 LEU 53 7.007 6.402 -6.171 354 HG LEU 53 HG LEU 53 5.351 5.937 -4.397 355 HD11 LEU 53 HD11 LEU 53 6.213 8.181 -4.643 356 HD12 LEU 53 HD12 LEU 53 4.522 8.213 -4.145 357 HD13 LEU 53 HD13 LEU 53 4.953 8.554 -5.820 358 HD21 LEU 53 HD21 LEU 53 3.004 6.401 -4.758 359 HD22 LEU 53 HD22 LEU 53 3.546 5.096 -5.815 360 HD23 LEU 53 HD23 LEU 53 3.309 6.718 -6.466 361 H ASN 54 H ASN 54 4.274 8.662 -8.524 362 HA ASN 54 HA ASN 54 5.995 10.682 -7.452 363 HB2 ASN 54 HB2 ASN 54 6.409 11.865 -9.596 364 HB3 ASN 54 HB3 ASN 54 7.226 10.312 -9.502 365 HD21 ASN 54 HD21 ASN 54 6.447 8.583 -10.772 366 HD22 ASN 54 HD22 ASN 54 5.472 8.870 -12.169 367 H GLY 55 H GLY 55 4.357 11.582 -6.337 368 HA2 GLY 55 HA2 GLY 55 2.632 13.377 -7.628 369 HA3 GLY 55 HA3 GLY 55 1.725 11.911 -7.293 370 H SER 56 H SER 56 1.319 14.572 -6.228 371 HA SER 56 HA SER 56 1.940 14.268 -3.402 372 HB2 SER 56 HB2 SER 56 0.742 16.445 -3.182 373 HB3 SER 56 HB3 SER 56 2.074 16.516 -4.336 374 HG SER 56 HG SER 56 -0.590 15.977 -5.127 375 H MET 57 H MET 57 0.747 12.716 -2.443 376 HA MET 57 HA MET 57 -2.142 12.875 -2.597 377 HB2 MET 57 HB2 MET 57 -2.260 10.397 -3.189 378 HB3 MET 57 HB3 MET 57 -1.870 11.513 -4.488 379 HG2 MET 57 HG2 MET 57 0.534 10.973 -4.131 380 HG3 MET 57 HG3 MET 57 0.028 9.732 -2.987 381 HE1 MET 57 HE1 MET 57 1.240 7.912 -6.334 382 HE2 MET 57 HE2 MET 57 1.646 8.239 -4.649 383 HE3 MET 57 HE3 MET 57 1.778 9.521 -5.852 384 H SER 58 H SER 58 -2.916 10.598 -1.424 385 HA SER 58 HA SER 58 -1.782 10.918 1.242 386 HB2 SER 58 HB2 SER 58 -4.273 9.427 0.389 387 HB3 SER 58 HB3 SER 58 -3.826 9.887 2.030 388 HG SER 58 HG SER 58 -3.857 12.130 1.153 389 H VAL 59 H VAL 59 -2.103 8.682 2.564 390 HA VAL 59 HA VAL 59 0.008 7.032 1.732 391 HB VAL 59 HB VAL 59 -2.180 6.334 3.695 392 HG11 VAL 59 HG11 VAL 59 -0.505 4.837 4.675 393 HG12 VAL 59 HG12 VAL 59 0.621 5.258 3.385 394 HG13 VAL 59 HG13 VAL 59 -0.872 4.399 3.006 395 HG21 VAL 59 HG21 VAL 59 -1.115 8.449 4.278 396 HG22 VAL 59 HG22 VAL 59 0.474 7.693 4.161 397 HG23 VAL 59 HG23 VAL 59 -0.656 7.182 5.415 398 H GLU 60 H GLU 60 -3.490 6.370 1.765 399 HA GLU 60 HA GLU 60 -3.461 3.854 0.635 400 HB2 GLU 60 HB2 GLU 60 -5.478 6.079 0.438 401 HB3 GLU 60 HB3 GLU 60 -5.761 4.502 -0.281 402 HG2 GLU 60 HG2 GLU 60 -6.850 4.586 1.833 403 HG3 GLU 60 HG3 GLU 60 -5.482 3.485 1.957 404 H GLN 61 H GLN 61 -3.875 6.936 -1.078 405 HA GLN 61 HA GLN 61 -3.973 5.904 -3.665 406 HB2 GLN 61 HB2 GLN 61 -2.979 8.594 -2.717 407 HB3 GLN 61 HB3 GLN 61 -3.374 8.201 -4.384 408 HG2 GLN 61 HG2 GLN 61 -5.679 7.882 -3.828 409 HG3 GLN 61 HG3 GLN 61 -5.335 8.045 -2.108 410 HE21 GLN 61 HE21 GLN 61 -6.747 9.749 -1.859 411 HE22 GLN 61 HE22 GLN 61 -6.417 11.332 -2.471 412 H GLY 62 H GLY 62 -1.225 6.848 -1.674 413 HA2 GLY 62 HA2 GLY 62 0.746 6.640 -3.687 414 HA3 GLY 62 HA3 GLY 62 1.030 6.582 -1.955 415 H LEU 63 H LEU 63 0.030 4.383 -1.010 416 HA LEU 63 HA LEU 63 1.823 2.405 -1.827 417 HB2 LEU 63 HB2 LEU 63 -0.567 2.460 -0.051 418 HB3 LEU 63 HB3 LEU 63 0.124 0.917 -0.480 419 HG LEU 63 HG LEU 63 0.930 1.641 1.671 420 HD11 LEU 63 HD11 LEU 63 3.092 1.800 -0.420 421 HD12 LEU 63 HD12 LEU 63 2.434 0.325 0.287 422 HD13 LEU 63 HD13 LEU 63 3.330 1.462 1.294 423 HD21 LEU 63 HD21 LEU 63 0.703 4.052 1.363 424 HD22 LEU 63 HD22 LEU 63 2.061 4.039 0.238 425 HD23 LEU 63 HD23 LEU 63 2.315 3.626 1.934 426 H ARG 64 H ARG 64 -1.647 2.737 -2.463 427 HA ARG 64 HA ARG 64 -2.117 0.310 -3.679 428 HB2 ARG 64 HB2 ARG 64 -3.881 1.837 -3.007 429 HB3 ARG 64 HB3 ARG 64 -3.349 3.018 -4.194 430 HG2 ARG 64 HG2 ARG 64 -3.993 1.588 -5.984 431 HG3 ARG 64 HG3 ARG 64 -4.393 0.288 -4.862 432 HD2 ARG 64 HD2 ARG 64 -6.178 1.592 -3.911 433 HD3 ARG 64 HD3 ARG 64 -5.722 2.993 -4.873 434 HE ARG 64 HE ARG 64 -6.309 1.483 -6.846 435 HH11 ARG 64 HH11 ARG 64 -7.859 1.216 -3.711 436 HH12 ARG 64 HH12 ARG 64 -9.395 0.751 -4.371 437 HH21 ARG 64 HH21 ARG 64 -8.337 0.841 -7.707 438 HH22 ARG 64 HH22 ARG 64 -9.666 0.534 -6.630 439 H ARG 65 H ARG 65 -1.061 3.368 -5.129 440 HA ARG 65 HA ARG 65 -0.918 2.295 -7.785 441 HB2 ARG 65 HB2 ARG 65 -1.299 4.722 -7.152 442 HB3 ARG 65 HB3 ARG 65 0.415 4.796 -6.771 443 HG2 ARG 65 HG2 ARG 65 0.904 4.097 -9.101 444 HG3 ARG 65 HG3 ARG 65 -0.821 4.213 -9.447 445 HD2 ARG 65 HD2 ARG 65 1.019 6.424 -8.576 446 HD3 ARG 65 HD3 ARG 65 0.245 6.241 -10.147 447 HE ARG 65 HE ARG 65 -1.756 6.341 -8.194 448 HH11 ARG 65 HH11 ARG 65 0.676 8.427 -9.605 449 HH12 ARG 65 HH12 ARG 65 -0.211 9.884 -9.288 450 HH21 ARG 65 HH21 ARG 65 -2.907 8.257 -7.736 451 HH22 ARG 65 HH22 ARG 65 -2.242 9.789 -8.217 452 H LEU 66 H LEU 66 1.314 2.902 -5.165 453 HA LEU 66 HA LEU 66 3.743 2.612 -6.539 454 HB2 LEU 66 HB2 LEU 66 3.017 3.359 -4.060 455 HB3 LEU 66 HB3 LEU 66 3.551 1.732 -3.707 456 HG LEU 66 HG LEU 66 5.218 3.929 -4.943 457 HD11 LEU 66 HD11 LEU 66 4.851 4.366 -2.635 458 HD12 LEU 66 HD12 LEU 66 6.481 3.711 -2.805 459 HD13 LEU 66 HD13 LEU 66 5.179 2.688 -2.206 460 HD21 LEU 66 HD21 LEU 66 5.882 1.743 -5.806 461 HD22 LEU 66 HD22 LEU 66 6.017 1.130 -4.159 462 HD23 LEU 66 HD23 LEU 66 7.103 2.401 -4.717 463 H ILE 67 H ILE 67 1.809 0.253 -4.713 464 HA ILE 67 HA ILE 67 3.672 -1.884 -5.176 465 HB ILE 67 HB ILE 67 0.832 -1.975 -4.140 466 HG12 ILE 67 HG12 ILE 67 3.389 -2.064 -2.545 467 HG13 ILE 67 HG13 ILE 67 2.525 -0.564 -2.864 468 HG21 ILE 67 HG21 ILE 67 3.042 -4.019 -3.940 469 HG22 ILE 67 HG22 ILE 67 1.609 -4.143 -4.961 470 HG23 ILE 67 HG23 ILE 67 1.443 -4.144 -3.204 471 HD11 ILE 67 HD11 ILE 67 1.445 -2.951 -1.386 472 HD12 ILE 67 HD12 ILE 67 0.569 -1.453 -1.705 473 HD13 ILE 67 HD13 ILE 67 1.995 -1.439 -0.668 474 H GLY 68 H GLY 68 0.255 -1.455 -6.123 475 HA2 GLY 68 HA2 GLY 68 0.790 -3.299 -8.362 476 HA3 GLY 68 HA3 GLY 68 -0.745 -3.197 -7.520 477 H GLY 69 H GLY 69 -1.402 -0.636 -7.477 478 HA2 GLY 69 HA2 GLY 69 -2.023 1.129 -8.967 479 HA3 GLY 69 HA3 GLY 69 -1.518 0.117 -10.319 480 H ASN 70 H ASN 70 -2.823 -2.121 -8.733 481 HA ASN 70 HA ASN 70 -5.525 -1.775 -9.809 482 HB2 ASN 70 HB2 ASN 70 -4.087 -4.284 -8.890 483 HB3 ASN 70 HB3 ASN 70 -5.652 -4.226 -9.694 484 HD21 ASN 70 HD21 ASN 70 -5.742 -3.678 -11.895 485 HD22 ASN 70 HD22 ASN 70 -4.348 -3.795 -12.911 486 HA PRO 71 HA PRO 71 -7.361 -1.559 -5.791 487 HB2 PRO 71 HB2 PRO 71 -9.542 -3.186 -6.022 488 HB3 PRO 71 HB3 PRO 71 -9.445 -1.569 -6.726 489 HG2 PRO 71 HG2 PRO 71 -9.014 -4.232 -8.022 490 HG3 PRO 71 HG3 PRO 71 -9.884 -2.813 -8.636 491 HD2 PRO 71 HD2 PRO 71 -7.386 -3.414 -9.436 492 HD3 PRO 71 HD3 PRO 71 -7.940 -1.738 -9.268 493 H VAL 72 H VAL 72 -5.886 -2.500 -4.428 494 HA VAL 72 HA VAL 72 -6.580 -5.203 -3.516 495 HB VAL 72 HB VAL 72 -3.739 -4.359 -3.208 496 HG11 VAL 72 HG11 VAL 72 -5.072 -7.001 -3.782 497 HG12 VAL 72 HG12 VAL 72 -4.560 -6.413 -2.201 498 HG13 VAL 72 HG13 VAL 72 -3.358 -6.767 -3.444 499 HG21 VAL 72 HG21 VAL 72 -4.773 -5.484 -5.812 500 HG22 VAL 72 HG22 VAL 72 -3.078 -5.254 -5.378 501 HG23 VAL 72 HG23 VAL 72 -4.138 -3.857 -5.573 502 H ALA 73 H ALA 73 -5.800 -5.473 -1.137 503 HA ALA 73 HA ALA 73 -6.417 -2.885 0.123 504 HB1 ALA 73 HB1 ALA 73 -8.264 -4.493 0.209 505 HB2 ALA 73 HB2 ALA 73 -7.660 -4.077 1.814 506 HB3 ALA 73 HB3 ALA 73 -7.224 -5.620 1.080 507 H PHE 74 H PHE 74 -4.888 -2.096 1.331 508 HA PHE 74 HA PHE 74 -3.116 -3.940 2.772 509 HB2 PHE 74 HB2 PHE 74 -1.344 -2.145 2.551 510 HB3 PHE 74 HB3 PHE 74 -1.776 -2.964 1.052 511 HD1 PHE 74 HD2 PHE 74 -2.019 0.192 2.935 512 HD2 PHE 74 HD1 PHE 74 -2.867 -1.817 -0.712 513 HE1 PHE 74 HE2 PHE 74 -2.510 2.358 1.860 514 HE2 PHE 74 HE1 PHE 74 -3.368 0.327 -1.790 515 HZ PHE 74 HZ PHE 74 -3.191 2.414 -0.510 516 H ARG 75 H ARG 75 -2.530 -3.358 4.854 517 HA ARG 75 HA ARG 75 -4.050 -1.098 5.964 518 HB2 ARG 75 HB2 ARG 75 -4.414 -2.470 8.018 519 HB3 ARG 75 HB3 ARG 75 -5.252 -3.073 6.597 520 HG2 ARG 75 HG2 ARG 75 -3.420 -4.723 6.293 521 HG3 ARG 75 HG3 ARG 75 -2.734 -4.171 7.822 522 HD2 ARG 75 HD2 ARG 75 -4.031 -6.150 8.226 523 HD3 ARG 75 HD3 ARG 75 -4.866 -4.772 8.938 524 HE ARG 75 HE ARG 75 -6.166 -4.861 6.691 525 HH11 ARG 75 HH11 ARG 75 -5.048 -7.601 8.561 526 HH12 ARG 75 HH12 ARG 75 -6.302 -8.659 7.991 527 HH21 ARG 75 HH21 ARG 75 -7.836 -6.263 5.959 528 HH22 ARG 75 HH22 ARG 75 -7.871 -7.904 6.521 529 H LEU 76 H LEU 76 -2.887 0.303 7.053 530 HA LEU 76 HA LEU 76 -0.069 -0.211 7.450 531 HB2 LEU 76 HB2 LEU 76 -1.726 2.254 8.022 532 HB3 LEU 76 HB3 LEU 76 0.011 2.160 8.196 533 HG LEU 76 HG LEU 76 -0.344 3.284 6.171 534 HD11 LEU 76 HD11 LEU 76 0.514 1.790 4.441 535 HD12 LEU 76 HD12 LEU 76 0.151 0.400 5.467 536 HD13 LEU 76 HD13 LEU 76 1.360 1.580 5.976 537 HD21 LEU 76 HD21 LEU 76 -1.829 2.536 4.399 538 HD22 LEU 76 HD22 LEU 76 -2.718 2.782 5.902 539 HD23 LEU 76 HD23 LEU 76 -2.315 1.150 5.372 540 H GLN 77 H GLN 77 0.314 -1.514 9.158 541 HA GLN 77 HA GLN 77 -1.298 -1.303 11.529 542 HB2 GLN 77 HB2 GLN 77 -0.961 -3.512 11.191 543 HB3 GLN 77 HB3 GLN 77 0.507 -3.247 10.263 544 HG2 GLN 77 HG2 GLN 77 1.772 -2.983 12.267 545 HG3 GLN 77 HG3 GLN 77 0.315 -3.118 13.245 546 HE21 GLN 77 HE21 GLN 77 0.911 -5.047 10.399 547 HE22 GLN 77 HE22 GLN 77 1.116 -6.554 11.220 548 HA PRO 78 HA PRO 78 1.362 1.678 13.360 549 HB2 PRO 78 HB2 PRO 78 0.519 1.434 15.937 550 HB3 PRO 78 HB3 PRO 78 -0.418 2.246 14.678 551 HG2 PRO 78 HG2 PRO 78 -0.679 -0.547 15.725 552 HG3 PRO 78 HG3 PRO 78 -1.950 0.637 15.376 553 HD2 PRO 78 HD2 PRO 78 -1.375 -1.353 13.671 554 HD3 PRO 78 HD3 PRO 78 -1.857 0.256 13.095 555 H GLN 79 H GLN 79 1.684 -1.614 13.903 556 HA GLN 79 HA GLN 79 3.767 -1.413 15.896 557 HB2 GLN 79 HB2 GLN 79 2.847 -3.764 14.229 558 HB3 GLN 79 HB3 GLN 79 4.019 -3.852 15.534 559 HG2 GLN 79 HG2 GLN 79 2.305 -3.093 17.113 560 HG3 GLN 79 HG3 GLN 79 1.133 -3.037 15.800 561 HE21 GLN 79 HE21 GLN 79 3.571 -5.523 16.094 562 HE22 GLN 79 HE22 GLN 79 2.484 -6.812 16.468 563 H GLY 80 H GLY 80 3.823 -0.190 13.081 564 HA2 GLY 80 HA2 GLY 80 5.576 0.463 11.733 565 HA3 GLY 80 HA3 GLY 80 6.633 -0.570 12.681 566 H GLN 81 H GLN 81 3.707 -1.610 11.039 567 HA GLN 81 HA GLN 81 5.372 -3.175 9.200 568 HB2 GLN 81 HB2 GLN 81 3.191 -4.236 10.991 569 HB3 GLN 81 HB3 GLN 81 3.860 -5.133 9.637 570 HG2 GLN 81 HG2 GLN 81 6.026 -5.179 10.670 571 HG3 GLN 81 HG3 GLN 81 5.471 -4.124 11.969 572 HE21 GLN 81 HE21 GLN 81 6.067 -5.657 13.507 573 HE22 GLN 81 HE22 GLN 81 5.135 -7.091 13.779 574 H ILE 82 H ILE 82 4.770 -2.715 7.222 575 HA ILE 82 HA ILE 82 1.992 -2.044 6.625 576 HB ILE 82 HB ILE 82 4.386 -2.142 4.776 577 HG12 ILE 82 HG12 ILE 82 3.011 0.215 6.085 578 HG13 ILE 82 HG13 ILE 82 4.618 -0.390 6.473 579 HG21 ILE 82 HG21 ILE 82 2.953 -0.897 3.212 580 HG22 ILE 82 HG22 ILE 82 1.606 -1.052 4.340 581 HG23 ILE 82 HG23 ILE 82 2.296 -2.490 3.588 582 HD11 ILE 82 HD11 ILE 82 5.382 0.201 4.237 583 HD12 ILE 82 HD12 ILE 82 4.728 1.600 5.089 584 HD13 ILE 82 HD13 ILE 82 3.770 0.800 3.843 585 H VAL 83 H VAL 83 0.715 -3.768 6.456 586 HA VAL 83 HA VAL 83 1.718 -6.069 4.923 587 HB VAL 83 HB VAL 83 0.002 -7.440 6.131 588 HG11 VAL 83 HG11 VAL 83 1.299 -7.645 8.204 589 HG12 VAL 83 HG12 VAL 83 2.114 -6.126 7.831 590 HG13 VAL 83 HG13 VAL 83 2.337 -7.527 6.783 591 HG21 VAL 83 HG21 VAL 83 -1.453 -5.629 6.855 592 HG22 VAL 83 HG22 VAL 83 -0.173 -5.012 7.903 593 HG23 VAL 83 HG23 VAL 83 -0.900 -6.585 8.231 594 H LEU 84 H LEU 84 0.461 -6.903 3.339 595 HA LEU 84 HA LEU 84 -1.997 -5.450 2.674 596 HB2 LEU 84 HB2 LEU 84 0.048 -4.743 1.357 597 HB3 LEU 84 HB3 LEU 84 0.094 -6.362 0.695 598 HG LEU 84 HG LEU 84 -2.353 -4.651 0.365 599 HD11 LEU 84 HD11 LEU 84 0.064 -4.697 -1.436 600 HD12 LEU 84 HD12 LEU 84 -0.437 -3.340 -0.427 601 HD13 LEU 84 HD13 LEU 84 -1.463 -3.874 -1.758 602 HD21 LEU 84 HD21 LEU 84 -1.134 -6.869 -1.258 603 HD22 LEU 84 HD22 LEU 84 -2.627 -6.007 -1.629 604 HD23 LEU 84 HD23 LEU 84 -2.523 -7.006 -0.180 605 H SER 85 H SER 85 -3.587 -6.687 1.564 606 HA SER 85 HA SER 85 -3.043 -9.534 1.213 607 HB2 SER 85 HB2 SER 85 -5.338 -8.518 2.913 608 HB3 SER 85 HB3 SER 85 -5.001 -10.203 2.521 609 HG SER 85 HG SER 85 -2.788 -9.184 3.539 610 H ARG 86 H ARG 86 -4.581 -10.571 -0.179 611 HA ARG 86 HA ARG 86 -5.610 -8.685 -2.116 612 HB2 ARG 86 HB2 ARG 86 -5.198 -11.662 -2.149 613 HB3 ARG 86 HB3 ARG 86 -6.097 -10.842 -3.417 614 HG2 ARG 86 HG2 ARG 86 -4.102 -9.374 -3.767 615 HG3 ARG 86 HG3 ARG 86 -3.222 -10.417 -2.651 616 HD2 ARG 86 HD2 ARG 86 -3.465 -12.296 -4.101 617 HD3 ARG 86 HD3 ARG 86 -4.591 -11.420 -5.139 618 HE ARG 86 HE ARG 86 -1.939 -10.254 -4.869 619 HH11 ARG 86 HH11 ARG 86 -4.024 -12.369 -6.743 620 HH12 ARG 86 HH12 ARG 86 -3.128 -12.157 -8.212 621 HH21 ARG 86 HH21 ARG 86 -0.785 -9.950 -6.800 622 HH22 ARG 86 HH22 ARG 86 -1.271 -10.793 -8.242 623 H LEU 87 H LEU 87 -7.250 -7.923 -0.647 624 HA LEU 87 HA LEU 87 -9.547 -9.605 -0.176 625 HB2 LEU 87 HB2 LEU 87 -8.868 -6.738 0.377 626 HB3 LEU 87 HB3 LEU 87 -10.530 -7.274 0.486 627 HG LEU 87 HG LEU 87 -9.837 -8.942 2.201 628 HD11 LEU 87 HD11 LEU 87 -7.497 -9.184 1.589 629 HD12 LEU 87 HD12 LEU 87 -7.662 -8.700 3.276 630 HD13 LEU 87 HD13 LEU 87 -7.191 -7.513 2.060 631 HD21 LEU 87 HD21 LEU 87 -10.766 -6.780 2.837 632 HD22 LEU 87 HD22 LEU 87 -9.151 -6.076 2.826 633 HD23 LEU 87 HD23 LEU 87 -9.560 -7.325 4.002 634 HA PRO 88 HA PRO 88 -11.527 -8.679 -4.076 635 HB2 PRO 88 HB2 PRO 88 -14.017 -9.543 -3.387 636 HB3 PRO 88 HB3 PRO 88 -12.696 -10.639 -3.801 637 HG2 PRO 88 HG2 PRO 88 -13.698 -9.806 -1.105 638 HG3 PRO 88 HG3 PRO 88 -13.243 -11.422 -1.680 639 HD2 PRO 88 HD2 PRO 88 -11.588 -9.924 -0.173 640 HD3 PRO 88 HD3 PRO 88 -10.985 -11.013 -1.436 641 H THR 89 H THR 89 -14.200 -7.914 -4.269 642 HA THR 89 HA THR 89 -14.137 -5.184 -4.080 643 HB THR 89 HB THR 89 -16.634 -6.876 -3.837 644 HG1 THR 89 HG1 THR 89 -16.320 -7.401 -5.861 645 HG21 THR 89 HG21 THR 89 -17.014 -4.492 -3.426 646 HG22 THR 89 HG22 THR 89 -17.730 -4.992 -4.959 647 HG23 THR 89 HG23 THR 89 -16.209 -4.097 -4.946 648 H ALA 90 H ALA 90 -14.004 -3.850 -2.420 649 HA ALA 90 HA ALA 90 -14.719 -4.702 0.255 650 HB1 ALA 90 HB1 ALA 90 -12.625 -3.477 -0.140 651 HB2 ALA 90 HB2 ALA 90 -13.687 -2.624 0.980 652 HB3 ALA 90 HB3 ALA 90 -13.555 -2.084 -0.692 653 H ASN 91 H ASN 91 -15.679 -2.658 1.567 654 HA ASN 91 HA ASN 91 -18.345 -2.376 0.428 655 HB2 ASN 91 HB2 ASN 91 -19.097 -1.874 2.632 656 HB3 ASN 91 HB3 ASN 91 -17.948 -3.198 2.789 657 HD21 ASN 91 HD21 ASN 91 -18.832 -1.217 4.738 658 HD22 ASN 91 HD22 ASN 91 -17.402 -0.423 5.296 659 H GLY 92 H GLY 92 -15.687 -0.678 0.025 660 HA2 GLY 92 HA2 GLY 92 -16.147 1.900 1.023 661 HA3 GLY 92 HA3 GLY 92 -15.096 1.503 -0.322 662 H ASP 93 H ASP 93 -17.656 0.319 -1.631 663 HA ASP 93 HA ASP 93 -18.446 2.828 -2.884 664 HB2 ASP 93 HB2 ASP 93 -19.484 1.481 -4.589 665 HB3 ASP 93 HB3 ASP 93 -17.893 0.807 -4.258 666 H GLY 94 H GLY 94 -19.334 1.531 -0.151 667 HA2 GLY 94 HA2 GLY 94 -21.221 2.221 1.090 668 HA3 GLY 94 HA3 GLY 94 -22.103 2.446 -0.414 669 H GLY 95 H GLY 95 -20.243 -0.376 0.576 670 HA2 GLY 95 HA2 GLY 95 -22.649 -1.999 0.156 671 HA3 GLY 95 HA3 GLY 95 -20.995 -2.596 0.181 672 H ALA 96 H ALA 96 -23.442 -3.421 1.674 673 HA ALA 96 HA ALA 96 -22.677 -2.827 4.426 674 HB1 ALA 96 HB1 ALA 96 -25.049 -2.724 3.852 675 HB2 ALA 96 HB2 ALA 96 -24.736 -3.987 5.042 676 HB3 ALA 96 HB3 ALA 96 -25.005 -4.415 3.353 677 H LEU 97 H LEU 97 -21.820 -4.298 5.816 678 HA LEU 97 HA LEU 97 -20.619 -6.093 6.506 679 HB2 LEU 97 HB2 LEU 97 -22.528 -7.573 4.689 680 HB3 LEU 97 HB3 LEU 97 -21.483 -8.330 5.875 681 HG LEU 97 HG LEU 97 -23.730 -6.409 6.491 682 HD11 LEU 97 HD11 LEU 97 -23.499 -9.379 6.943 683 HD12 LEU 97 HD12 LEU 97 -24.504 -8.596 5.724 684 HD13 LEU 97 HD13 LEU 97 -24.843 -8.352 7.436 685 HD21 LEU 97 HD21 LEU 97 -21.931 -6.198 8.105 686 HD22 LEU 97 HD22 LEU 97 -21.887 -7.948 8.319 687 HD23 LEU 97 HD23 LEU 97 -23.304 -7.032 8.832 688 H ALA 98 H ALA 98 -20.199 -8.521 4.802 689 HA ALA 98 HA ALA 98 -18.796 -9.367 3.246 690 HB1 ALA 98 HB1 ALA 98 -19.886 -7.875 1.631 691 HB2 ALA 98 HB2 ALA 98 -18.173 -8.102 1.278 692 HB3 ALA 98 HB3 ALA 98 -18.727 -6.608 2.034 693 H LEU 99 H LEU 99 -17.556 -6.051 3.735 694 HA LEU 99 HA LEU 99 -14.866 -6.927 3.856 695 HB2 LEU 99 HB2 LEU 99 -15.515 -4.653 3.151 696 HB3 LEU 99 HB3 LEU 99 -16.044 -4.311 4.786 697 HG LEU 99 HG LEU 99 -13.691 -4.700 5.558 698 HD11 LEU 99 HD11 LEU 99 -13.139 -4.740 2.597 699 HD12 LEU 99 HD12 LEU 99 -12.896 -6.066 3.734 700 HD13 LEU 99 HD13 LEU 99 -11.917 -4.606 3.861 701 HD21 LEU 99 HD21 LEU 99 -12.850 -2.547 4.755 702 HD22 LEU 99 HD22 LEU 99 -14.546 -2.451 5.227 703 HD23 LEU 99 HD23 LEU 99 -14.108 -2.520 3.521 704 H ASP 100 H ASP 100 -17.379 -6.643 6.187 705 HA ASP 100 HA ASP 100 -15.927 -6.339 8.550 706 HB2 ASP 100 HB2 ASP 100 -18.543 -7.728 7.983 707 HB3 ASP 100 HB3 ASP 100 -17.883 -7.590 9.609 708 H SER 101 H SER 101 -17.242 -9.430 7.322 709 HA SER 101 HA SER 101 -15.574 -10.970 9.043 710 HB2 SER 101 HB2 SER 101 -16.435 -12.893 7.625 711 HB3 SER 101 HB3 SER 101 -17.670 -11.913 8.413 712 HG SER 101 HG SER 101 -17.436 -12.442 5.845 713 H LEU 102 H LEU 102 -15.038 -9.431 6.100 714 HA LEU 102 HA LEU 102 -13.026 -11.203 5.075 715 HB2 LEU 102 HB2 LEU 102 -14.423 -9.676 3.684 716 HB3 LEU 102 HB3 LEU 102 -13.590 -8.317 4.405 717 HG LEU 102 HG LEU 102 -11.490 -9.043 3.393 718 HD11 LEU 102 HD11 LEU 102 -11.890 -11.451 3.365 719 HD12 LEU 102 HD12 LEU 102 -11.471 -10.861 1.757 720 HD13 LEU 102 HD13 LEU 102 -13.149 -11.234 2.149 721 HD21 LEU 102 HD21 LEU 102 -13.004 -7.516 2.196 722 HD22 LEU 102 HD22 LEU 102 -13.755 -8.903 1.406 723 HD23 LEU 102 HD23 LEU 102 -12.064 -8.521 1.095 724 H THR 103 H THR 103 -13.164 -8.430 7.176 725 HA THR 103 HA THR 103 -10.257 -8.265 7.331 726 HB THR 103 HB THR 103 -12.332 -6.590 8.760 727 HG1 THR 103 HG1 THR 103 -12.555 -6.133 6.613 728 HG21 THR 103 HG21 THR 103 -9.374 -6.153 8.311 729 HG22 THR 103 HG22 THR 103 -10.141 -6.557 9.847 730 HG23 THR 103 HG23 THR 103 -10.477 -5.007 9.075 731 H VAL 104 H VAL 104 -13.063 -8.960 9.373 732 HA VAL 104 HA VAL 104 -11.563 -9.623 11.701 733 HB VAL 104 HB VAL 104 -14.369 -10.429 10.896 734 HG11 VAL 104 HG11 VAL 104 -14.707 -10.955 13.267 735 HG12 VAL 104 HG12 VAL 104 -13.001 -10.637 13.577 736 HG13 VAL 104 HG13 VAL 104 -13.473 -11.984 12.542 737 HG21 VAL 104 HG21 VAL 104 -14.072 -8.017 11.138 738 HG22 VAL 104 HG22 VAL 104 -13.385 -8.256 12.745 739 HG23 VAL 104 HG23 VAL 104 -15.073 -8.664 12.437 740 H LEU 105 H LEU 105 -10.342 -11.344 12.020 741 HA LEU 105 HA LEU 105 -9.304 -13.339 11.745 742 HB2 LEU 105 HB2 LEU 105 -11.974 -14.195 10.624 743 HB3 LEU 105 HB3 LEU 105 -10.646 -15.286 10.963 744 HG LEU 105 HG LEU 105 -12.083 -13.618 13.029 745 HD11 LEU 105 HD11 LEU 105 -13.035 -15.739 13.769 746 HD12 LEU 105 HD12 LEU 105 -12.249 -16.564 12.423 747 HD13 LEU 105 HD13 LEU 105 -13.506 -15.369 12.110 748 HD21 LEU 105 HD21 LEU 105 -9.768 -14.055 13.634 749 HD22 LEU 105 HD22 LEU 105 -9.994 -15.774 13.310 750 HD23 LEU 105 HD23 LEU 105 -10.862 -15.005 14.639 751 H GLY 106 H GLY 106 -9.389 -11.254 9.663 752 HA2 GLY 106 HA2 GLY 106 -8.554 -12.942 7.389 753 HA3 GLY 106 HA3 GLY 106 -9.436 -11.437 7.162 754 H ALA 107 H ALA 107 -6.507 -12.680 8.734 755 HA ALA 107 HA ALA 107 -5.187 -10.122 8.189 756 HB1 ALA 107 HB1 ALA 107 -4.277 -12.421 9.911 757 HB2 ALA 107 HB2 ALA 107 -5.074 -10.958 10.488 758 HB3 ALA 107 HB3 ALA 107 -3.474 -10.860 9.753 759 H GLY 108 H GLY 108 -2.865 -10.272 7.516 760 HA2 GLY 108 HA2 GLY 108 -1.707 -12.471 6.296 761 HA3 GLY 108 HA3 GLY 108 -2.688 -11.685 5.067 762 H GLY 109 H GLY 109 -0.019 -11.838 4.650 763 HA2 GLY 109 HA2 GLY 109 0.672 -9.019 4.641 764 HA3 GLY 109 HA3 GLY 109 1.768 -10.058 5.540 765 H ASN 110 H ASN 110 0.658 -9.062 2.437 766 HA ASN 110 HA ASN 110 3.159 -9.779 1.277 767 HB2 ASN 110 HB2 ASN 110 2.350 -11.272 -0.475 768 HB3 ASN 110 HB3 ASN 110 2.017 -11.967 1.105 769 HD21 ASN 110 HD21 ASN 110 0.687 -10.748 -1.823 770 HD22 ASN 110 HD22 ASN 110 -0.961 -11.130 -1.484 771 H ASN 111 H ASN 111 3.627 -8.064 0.087 772 HA ASN 111 HA ASN 111 1.470 -6.438 -0.999 773 HB2 ASN 111 HB2 ASN 111 4.464 -6.002 -0.881 774 HB3 ASN 111 HB3 ASN 111 3.361 -4.901 -1.702 775 HD21 ASN 111 HD21 ASN 111 3.831 -3.194 -0.371 776 HD22 ASN 111 HD22 ASN 111 3.303 -3.111 1.270 777 H ALA 112 H ALA 112 0.861 -8.223 -2.421 778 HA ALA 112 HA ALA 112 2.055 -7.937 -5.027 779 HB1 ALA 112 HB1 ALA 112 2.115 -10.622 -3.646 780 HB2 ALA 112 HB2 ALA 112 3.517 -9.637 -4.059 781 HB3 ALA 112 HB3 ALA 112 2.517 -10.326 -5.337 Start of MODEL 11 1 H1 SER 6 H1 SER 6 -7.149 24.897 11.534 2 H2 SER 6 H2 SER 6 -7.485 24.956 9.880 3 H3 SER 6 H3 SER 6 -5.886 24.892 10.413 4 HA SER 6 HA SER 6 -6.226 22.702 11.312 5 HB2 SER 6 HB2 SER 6 -8.992 22.986 10.106 6 HB3 SER 6 HB3 SER 6 -8.346 21.532 10.863 7 HG SER 6 HG SER 6 -8.153 22.735 12.814 8 H MET 7 H MET 7 -4.663 22.054 9.947 9 HA MET 7 HA MET 7 -5.169 22.096 7.065 10 HB2 MET 7 HB2 MET 7 -2.630 21.630 8.637 11 HB3 MET 7 HB3 MET 7 -2.732 21.596 6.882 12 HG2 MET 7 HG2 MET 7 -3.315 23.909 6.802 13 HG3 MET 7 HG3 MET 7 -3.468 23.981 8.554 14 HE1 MET 7 HE1 MET 7 -1.037 23.718 5.505 15 HE2 MET 7 HE2 MET 7 -0.702 22.210 6.354 16 HE3 MET 7 HE3 MET 7 0.524 23.476 6.290 17 H ALA 8 H ALA 8 -4.630 19.893 9.724 18 HA ALA 8 HA ALA 8 -4.017 17.594 8.195 19 HB1 ALA 8 HB1 ALA 8 -3.504 17.790 10.587 20 HB2 ALA 8 HB2 ALA 8 -4.435 16.336 10.229 21 HB3 ALA 8 HB3 ALA 8 -5.228 17.736 10.953 22 H GLN 9 H GLN 9 -7.014 19.146 9.018 23 HA GLN 9 HA GLN 9 -8.740 16.955 8.541 24 HB2 GLN 9 HB2 GLN 9 -10.533 18.564 8.437 25 HB3 GLN 9 HB3 GLN 9 -9.433 19.026 9.727 26 HG2 GLN 9 HG2 GLN 9 -8.468 20.746 8.341 27 HG3 GLN 9 HG3 GLN 9 -9.453 20.234 6.972 28 HE21 GLN 9 HE21 GLN 9 -10.438 22.229 6.762 29 HE22 GLN 9 HE22 GLN 9 -11.607 22.811 7.894 30 H ALA 10 H ALA 10 -6.908 18.933 6.449 31 HA ALA 10 HA ALA 10 -8.588 18.313 4.135 32 HB1 ALA 10 HB1 ALA 10 -6.152 20.083 4.326 33 HB2 ALA 10 HB2 ALA 10 -7.828 20.628 4.393 34 HB3 ALA 10 HB3 ALA 10 -7.197 19.897 2.918 35 H ALA 11 H ALA 11 -6.746 16.478 5.721 36 HA ALA 11 HA ALA 11 -5.583 14.587 5.288 37 HB1 ALA 11 HB1 ALA 11 -5.481 13.691 3.024 38 HB2 ALA 11 HB2 ALA 11 -6.061 15.228 2.382 39 HB3 ALA 11 HB3 ALA 11 -7.107 14.251 3.413 40 H GLN 12 H GLN 12 -3.580 14.867 5.994 41 HA GLN 12 HA GLN 12 -1.757 16.748 5.009 42 HB2 GLN 12 HB2 GLN 12 -0.079 15.646 6.355 43 HB3 GLN 12 HB3 GLN 12 -1.583 15.728 7.251 44 HG2 GLN 12 HG2 GLN 12 -0.574 13.282 5.812 45 HG3 GLN 12 HG3 GLN 12 -0.353 13.604 7.528 46 HE21 GLN 12 HE21 GLN 12 -1.680 11.380 6.265 47 HE22 GLN 12 HE22 GLN 12 -3.313 11.386 6.834 48 H GLN 13 H GLN 13 -0.656 16.811 3.193 49 HA GLN 13 HA GLN 13 -0.360 14.310 1.687 50 HB2 GLN 13 HB2 GLN 13 -0.282 15.687 -0.344 51 HB3 GLN 13 HB3 GLN 13 -1.776 15.922 0.548 52 HG2 GLN 13 HG2 GLN 13 -0.899 18.021 1.452 53 HG3 GLN 13 HG3 GLN 13 0.590 17.784 0.537 54 HE21 GLN 13 HE21 GLN 13 -2.766 18.626 0.388 55 HE22 GLN 13 HE22 GLN 13 -2.768 19.182 -1.251 56 H LYS 14 H LYS 14 1.574 13.540 1.354 57 HA LYS 14 HA LYS 14 3.894 15.301 1.794 58 HB2 LYS 14 HB2 LYS 14 3.726 12.289 2.050 59 HB3 LYS 14 HB3 LYS 14 5.138 13.278 2.392 60 HG2 LYS 14 HG2 LYS 14 2.523 13.466 3.875 61 HG3 LYS 14 HG3 LYS 14 3.920 12.535 4.415 62 HD2 LYS 14 HD2 LYS 14 4.016 15.495 3.855 63 HD3 LYS 14 HD3 LYS 14 3.670 14.821 5.446 64 HE2 LYS 14 HE2 LYS 14 6.176 14.355 3.832 65 HE3 LYS 14 HE3 LYS 14 6.028 15.427 5.222 66 HZ1 LYS 14 HZ1 LYS 14 7.005 13.296 5.826 67 HZ2 LYS 14 HZ2 LYS 14 5.632 12.482 5.276 68 HZ3 LYS 14 HZ3 LYS 14 5.520 13.516 6.605 69 H ASN 15 H ASN 15 5.395 15.469 0.199 70 HA ASN 15 HA ASN 15 4.676 14.433 -2.395 71 HB2 ASN 15 HB2 ASN 15 5.580 16.735 -2.087 72 HB3 ASN 15 HB3 ASN 15 7.120 16.029 -1.604 73 HD21 ASN 15 HD21 ASN 15 4.892 16.529 -4.224 74 HD22 ASN 15 HD22 ASN 15 6.001 16.154 -5.500 75 H PHE 16 H PHE 16 5.128 12.415 -2.880 76 HA PHE 16 HA PHE 16 7.563 11.183 -1.801 77 HB2 PHE 16 HB2 PHE 16 5.197 9.882 -3.167 78 HB3 PHE 16 HB3 PHE 16 6.537 9.045 -2.396 79 HD1 PHE 16 HD1 PHE 16 6.909 9.847 0.143 80 HD2 PHE 16 HD2 PHE 16 3.239 9.986 -1.999 81 HE1 PHE 16 HE1 PHE 16 5.672 9.808 2.271 82 HE2 PHE 16 HE2 PHE 16 1.994 9.949 0.122 83 HZ PHE 16 HZ PHE 16 3.209 9.860 2.261 84 H ASN 17 H ASN 17 9.130 10.350 -3.113 85 HA ASN 17 HA ASN 17 8.683 10.336 -6.007 86 HB2 ASN 17 HB2 ASN 17 9.891 12.416 -5.571 87 HB3 ASN 17 HB3 ASN 17 11.106 11.542 -4.647 88 HD21 ASN 17 HD21 ASN 17 12.667 10.381 -5.701 89 HD22 ASN 17 HD22 ASN 17 12.924 10.475 -7.408 90 H ILE 18 H ILE 18 8.602 8.169 -6.135 91 HA ILE 18 HA ILE 18 10.774 6.619 -4.881 92 HB ILE 18 HB ILE 18 8.025 5.629 -5.645 93 HG12 ILE 18 HG12 ILE 18 8.029 7.383 -3.838 94 HG13 ILE 18 HG13 ILE 18 7.372 5.830 -3.346 95 HG21 ILE 18 HG21 ILE 18 10.193 4.383 -3.955 96 HG22 ILE 18 HG22 ILE 18 9.716 3.880 -5.576 97 HG23 ILE 18 HG23 ILE 18 8.590 3.703 -4.231 98 HD11 ILE 18 HD11 ILE 18 10.123 6.890 -2.726 99 HD12 ILE 18 HD12 ILE 18 9.520 5.299 -2.258 100 HD13 ILE 18 HD13 ILE 18 8.770 6.757 -1.605 101 H ALA 19 H ALA 19 12.221 5.897 -6.307 102 HA ALA 19 HA ALA 19 11.630 5.487 -9.094 103 HB1 ALA 19 HB1 ALA 19 13.914 4.566 -9.196 104 HB2 ALA 19 HB2 ALA 19 14.015 4.644 -7.437 105 HB3 ALA 19 HB3 ALA 19 13.877 6.129 -8.378 106 H ALA 20 H ALA 20 11.635 3.379 -10.166 107 HA ALA 20 HA ALA 20 10.002 1.537 -8.753 108 HB1 ALA 20 HB1 ALA 20 11.454 1.167 -11.372 109 HB2 ALA 20 HB2 ALA 20 9.839 1.845 -11.173 110 HB3 ALA 20 HB3 ALA 20 10.143 0.157 -10.763 111 H GLN 21 H GLN 21 10.894 0.625 -7.046 112 HA GLN 21 HA GLN 21 13.402 -0.871 -7.320 113 HB2 GLN 21 HB2 GLN 21 11.907 0.121 -4.884 114 HB3 GLN 21 HB3 GLN 21 13.359 -0.871 -4.814 115 HG2 GLN 21 HG2 GLN 21 14.698 0.834 -5.703 116 HG3 GLN 21 HG3 GLN 21 13.300 1.758 -6.253 117 HE21 GLN 21 HE21 GLN 21 12.144 2.978 -4.793 118 HE22 GLN 21 HE22 GLN 21 12.760 3.376 -3.227 119 HA PRO 22 HA PRO 22 11.217 -4.796 -6.475 120 HB2 PRO 22 HB2 PRO 22 13.093 -5.187 -4.210 121 HB3 PRO 22 HB3 PRO 22 12.760 -6.247 -5.582 122 HG2 PRO 22 HG2 PRO 22 15.053 -4.878 -5.414 123 HG3 PRO 22 HG3 PRO 22 14.244 -5.143 -6.970 124 HD2 PRO 22 HD2 PRO 22 14.325 -2.688 -5.266 125 HD3 PRO 22 HD3 PRO 22 14.375 -2.838 -7.034 126 H LEU 23 H LEU 23 9.471 -5.212 -5.128 127 HA LEU 23 HA LEU 23 8.379 -3.068 -3.847 128 HB2 LEU 23 HB2 LEU 23 7.770 -5.987 -3.706 129 HB3 LEU 23 HB3 LEU 23 6.807 -4.813 -2.888 130 HG LEU 23 HG LEU 23 7.277 -4.852 -5.848 131 HD11 LEU 23 HD11 LEU 23 4.839 -5.591 -4.230 132 HD12 LEU 23 HD12 LEU 23 5.862 -6.703 -5.139 133 HD13 LEU 23 HD13 LEU 23 4.908 -5.487 -5.988 134 HD21 LEU 23 HD21 LEU 23 5.519 -3.101 -4.132 135 HD22 LEU 23 HD22 LEU 23 5.517 -3.130 -5.898 136 HD23 LEU 23 HD23 LEU 23 6.956 -2.596 -5.026 137 H GLN 24 H GLN 24 10.093 -5.761 -2.305 138 HA GLN 24 HA GLN 24 9.407 -5.040 0.344 139 HB2 GLN 24 HB2 GLN 24 11.803 -6.587 -0.666 140 HB3 GLN 24 HB3 GLN 24 11.255 -6.532 1.005 141 HG2 GLN 24 HG2 GLN 24 9.211 -7.643 0.434 142 HG3 GLN 24 HG3 GLN 24 9.595 -7.558 -1.284 143 HE21 GLN 24 HE21 GLN 24 9.027 -9.875 0.357 144 HE22 GLN 24 HE22 GLN 24 10.407 -10.911 0.234 145 H SER 25 H SER 25 12.049 -4.098 -1.777 146 HA SER 25 HA SER 25 13.326 -2.496 0.265 147 HB2 SER 25 HB2 SER 25 13.831 -2.530 -2.722 148 HB3 SER 25 HB3 SER 25 14.907 -1.900 -1.473 149 HG SER 25 HG SER 25 14.543 -4.283 -0.685 150 H ALA 26 H ALA 26 11.142 -2.104 -2.430 151 HA ALA 26 HA ALA 26 11.188 0.661 -2.792 152 HB1 ALA 26 HB1 ALA 26 8.829 -1.204 -3.053 153 HB2 ALA 26 HB2 ALA 26 10.065 -0.942 -4.287 154 HB3 ALA 26 HB3 ALA 26 9.001 0.382 -3.811 155 H MET 27 H MET 27 8.908 -1.262 -0.872 156 HA MET 27 HA MET 27 7.696 1.122 0.199 157 HB2 MET 27 HB2 MET 27 7.178 -1.734 1.024 158 HB3 MET 27 HB3 MET 27 6.109 -0.349 1.228 159 HG2 MET 27 HG2 MET 27 6.852 -1.774 -1.305 160 HG3 MET 27 HG3 MET 27 5.252 -1.584 -0.590 161 HE1 MET 27 HE1 MET 27 5.669 0.410 -4.090 162 HE2 MET 27 HE2 MET 27 4.555 -0.710 -3.309 163 HE3 MET 27 HE3 MET 27 6.249 -1.153 -3.517 164 H LEU 28 H LEU 28 10.265 -0.925 1.092 165 HA LEU 28 HA LEU 28 10.352 -0.182 3.819 166 HB2 LEU 28 HB2 LEU 28 11.743 -1.977 2.822 167 HB3 LEU 28 HB3 LEU 28 12.641 -0.775 1.927 168 HG LEU 28 HG LEU 28 13.679 -1.782 4.054 169 HD11 LEU 28 HD11 LEU 28 14.777 0.324 4.595 170 HD12 LEU 28 HD12 LEU 28 13.537 1.200 3.700 171 HD13 LEU 28 HD13 LEU 28 14.620 0.097 2.855 172 HD21 LEU 28 HD21 LEU 28 11.727 -1.529 5.494 173 HD22 LEU 28 HD22 LEU 28 11.812 0.223 5.313 174 HD23 LEU 28 HD23 LEU 28 13.110 -0.643 6.132 175 H ARG 29 H ARG 29 11.866 1.196 0.898 176 HA ARG 29 HA ARG 29 12.947 3.465 2.194 177 HB2 ARG 29 HB2 ARG 29 12.242 3.099 -0.725 178 HB3 ARG 29 HB3 ARG 29 13.275 4.363 -0.071 179 HG2 ARG 29 HG2 ARG 29 13.843 1.409 0.077 180 HG3 ARG 29 HG3 ARG 29 14.567 2.537 -1.070 181 HD2 ARG 29 HD2 ARG 29 15.633 3.747 0.703 182 HD3 ARG 29 HD3 ARG 29 14.776 2.808 1.921 183 HE ARG 29 HE ARG 29 16.518 1.329 0.117 184 HH11 ARG 29 HH11 ARG 29 16.041 2.821 3.255 185 HH12 ARG 29 HH12 ARG 29 17.338 1.938 4.010 186 HH21 ARG 29 HH21 ARG 29 18.216 0.158 1.123 187 HH22 ARG 29 HH22 ARG 29 18.566 0.424 2.799 188 H PHE 30 H PHE 30 9.929 2.985 0.398 189 HA PHE 30 HA PHE 30 9.025 5.645 0.522 190 HB2 PHE 30 HB2 PHE 30 7.903 4.210 -0.988 191 HB3 PHE 30 HB3 PHE 30 7.593 3.010 0.257 192 HD1 PHE 30 HD2 PHE 30 6.817 6.592 -0.454 193 HD2 PHE 30 HD1 PHE 30 5.465 2.865 1.090 194 HE1 PHE 30 HE2 PHE 30 4.590 7.561 -0.072 195 HE2 PHE 30 HE1 PHE 30 3.236 3.833 1.482 196 HZ PHE 30 HZ PHE 30 2.798 6.183 0.899 197 H ALA 31 H ALA 31 8.304 2.873 2.639 198 HA ALA 31 HA ALA 31 6.662 4.427 4.362 199 HB1 ALA 31 HB1 ALA 31 6.295 2.050 4.135 200 HB2 ALA 31 HB2 ALA 31 6.664 2.451 5.813 201 HB3 ALA 31 HB3 ALA 31 7.897 1.716 4.791 202 H GLU 32 H GLU 32 10.067 3.896 4.146 203 HA GLU 32 HA GLU 32 10.898 4.348 6.765 204 HB2 GLU 32 HB2 GLU 32 12.107 5.032 4.126 205 HB3 GLU 32 HB3 GLU 32 12.818 5.724 5.576 206 HG2 GLU 32 HG2 GLU 32 12.997 3.390 6.478 207 HG3 GLU 32 HG3 GLU 32 12.533 2.818 4.875 208 H GLN 33 H GLN 33 10.169 6.789 4.293 209 HA GLN 33 HA GLN 33 10.511 8.927 6.209 210 HB2 GLN 33 HB2 GLN 33 9.927 10.406 4.323 211 HB3 GLN 33 HB3 GLN 33 11.242 9.307 3.936 212 HG2 GLN 33 HG2 GLN 33 9.706 7.879 2.705 213 HG3 GLN 33 HG3 GLN 33 8.368 8.950 3.118 214 HE21 GLN 33 HE21 GLN 33 11.564 10.110 2.342 215 HE22 GLN 33 HE22 GLN 33 11.144 10.834 0.830 216 H ALA 34 H ALA 34 8.024 6.842 5.376 217 HA ALA 34 HA ALA 34 5.913 8.732 6.079 218 HB1 ALA 34 HB1 ALA 34 5.577 7.151 4.202 219 HB2 ALA 34 HB2 ALA 34 4.358 6.997 5.468 220 HB3 ALA 34 HB3 ALA 34 5.662 5.818 5.353 221 H GLY 35 H GLY 35 7.985 6.576 7.611 222 HA2 GLY 35 HA2 GLY 35 8.180 6.247 9.911 223 HA3 GLY 35 HA3 GLY 35 6.568 6.910 10.121 224 H MET 36 H MET 36 7.505 4.268 7.987 225 HA MET 36 HA MET 36 6.305 2.276 9.738 226 HB2 MET 36 HB2 MET 36 5.187 2.998 7.026 227 HB3 MET 36 HB3 MET 36 4.876 1.448 7.793 228 HG2 MET 36 HG2 MET 36 3.763 2.541 9.628 229 HG3 MET 36 HG3 MET 36 4.167 4.125 8.974 230 HE1 MET 36 HE1 MET 36 3.167 5.131 6.812 231 HE2 MET 36 HE2 MET 36 1.987 4.330 5.778 232 HE3 MET 36 HE3 MET 36 3.645 3.736 5.845 233 H GLN 37 H GLN 37 6.411 0.059 8.555 234 HA GLN 37 HA GLN 37 8.573 -0.062 6.570 235 HB2 GLN 37 HB2 GLN 37 9.665 -0.613 8.657 236 HB3 GLN 37 HB3 GLN 37 8.373 -1.722 9.094 237 HG2 GLN 37 HG2 GLN 37 9.001 -3.145 7.167 238 HG3 GLN 37 HG3 GLN 37 10.353 -2.061 6.847 239 HE21 GLN 37 HE21 GLN 37 10.271 -4.914 7.555 240 HE22 GLN 37 HE22 GLN 37 11.254 -5.073 8.968 241 H VAL 38 H VAL 38 8.286 -1.695 5.022 242 HA VAL 38 HA VAL 38 5.652 -2.833 4.879 243 HB VAL 38 HB VAL 38 6.676 -2.126 2.807 244 HG11 VAL 38 HG11 VAL 38 8.805 -4.207 3.264 245 HG12 VAL 38 HG12 VAL 38 9.027 -2.462 3.390 246 HG13 VAL 38 HG13 VAL 38 8.625 -3.186 1.831 247 HG21 VAL 38 HG21 VAL 38 6.384 -4.150 1.456 248 HG22 VAL 38 HG22 VAL 38 5.119 -3.975 2.674 249 HG23 VAL 38 HG23 VAL 38 6.433 -5.125 2.925 250 H PHE 39 H PHE 39 5.029 -4.858 5.331 251 HA PHE 39 HA PHE 39 6.882 -6.397 6.960 252 HB2 PHE 39 HB2 PHE 39 4.655 -5.873 7.849 253 HB3 PHE 39 HB3 PHE 39 3.909 -6.712 6.496 254 HD1 PHE 39 HD1 PHE 39 6.254 -7.282 9.331 255 HD2 PHE 39 HD2 PHE 39 3.332 -8.936 6.716 256 HE1 PHE 39 HE1 PHE 39 6.280 -9.371 10.628 257 HE2 PHE 39 HE2 PHE 39 3.355 -11.027 8.008 258 HZ PHE 39 HZ PHE 39 4.829 -11.247 9.967 259 H PHE 40 H PHE 40 8.047 -7.933 6.047 260 HA PHE 40 HA PHE 40 6.732 -9.785 4.229 261 HB2 PHE 40 HB2 PHE 40 8.674 -9.766 2.669 262 HB3 PHE 40 HB3 PHE 40 7.772 -8.260 2.678 263 HD1 PHE 40 HD1 PHE 40 8.728 -6.319 4.041 264 HD2 PHE 40 HD2 PHE 40 10.973 -9.783 3.011 265 HE1 PHE 40 HE1 PHE 40 10.816 -5.074 4.420 266 HE2 PHE 40 HE2 PHE 40 13.064 -8.547 3.395 267 HZ PHE 40 HZ PHE 40 12.988 -6.191 4.101 268 H ASP 41 H ASP 41 6.836 -11.550 5.426 269 HA ASP 41 HA ASP 41 9.484 -12.380 6.400 270 HB2 ASP 41 HB2 ASP 41 8.076 -11.731 8.303 271 HB3 ASP 41 HB3 ASP 41 6.830 -12.853 7.768 272 H GLU 42 H GLU 42 6.236 -13.742 5.918 273 HA GLU 42 HA GLU 42 7.473 -16.100 4.709 274 HB2 GLU 42 HB2 GLU 42 4.635 -15.549 5.584 275 HB3 GLU 42 HB3 GLU 42 5.143 -17.030 4.786 276 HG2 GLU 42 HG2 GLU 42 6.593 -17.580 6.627 277 HG3 GLU 42 HG3 GLU 42 6.235 -16.040 7.410 278 H VAL 43 H VAL 43 8.097 -15.184 2.746 279 HA VAL 43 HA VAL 43 5.983 -14.979 0.773 280 HB VAL 43 HB VAL 43 7.044 -12.860 -0.186 281 HG11 VAL 43 HG11 VAL 43 5.699 -11.367 1.205 282 HG12 VAL 43 HG12 VAL 43 5.551 -12.632 2.424 283 HG13 VAL 43 HG13 VAL 43 4.829 -12.855 0.832 284 HG21 VAL 43 HG21 VAL 43 9.066 -12.866 1.178 285 HG22 VAL 43 HG22 VAL 43 8.095 -12.630 2.631 286 HG23 VAL 43 HG23 VAL 43 8.155 -11.372 1.398 287 H LYS 44 H LYS 44 6.620 -15.713 -1.174 288 HA LYS 44 HA LYS 44 9.413 -15.634 -1.924 289 HB2 LYS 44 HB2 LYS 44 9.239 -17.782 -0.741 290 HB3 LYS 44 HB3 LYS 44 7.916 -18.260 -1.794 291 HG2 LYS 44 HG2 LYS 44 9.360 -18.321 -3.698 292 HG3 LYS 44 HG3 LYS 44 10.684 -17.617 -2.773 293 HD2 LYS 44 HD2 LYS 44 9.411 -20.282 -2.162 294 HD3 LYS 44 HD3 LYS 44 10.883 -20.076 -3.113 295 HE2 LYS 44 HE2 LYS 44 10.487 -19.239 -0.242 296 HE3 LYS 44 HE3 LYS 44 11.399 -20.642 -0.794 297 HZ1 LYS 44 HZ1 LYS 44 12.873 -18.818 -0.297 298 HZ2 LYS 44 HZ2 LYS 44 12.052 -17.802 -1.367 299 HZ3 LYS 44 HZ3 LYS 44 12.907 -19.135 -1.956 300 H LEU 45 H LEU 45 8.774 -14.225 -3.510 301 HA LEU 45 HA LEU 45 7.754 -15.428 -5.910 302 HB2 LEU 45 HB2 LEU 45 5.669 -14.836 -4.732 303 HB3 LEU 45 HB3 LEU 45 6.215 -13.175 -4.610 304 HG LEU 45 HG LEU 45 6.174 -13.000 -7.077 305 HD11 LEU 45 HD11 LEU 45 6.547 -15.321 -7.652 306 HD12 LEU 45 HD12 LEU 45 5.036 -14.760 -8.365 307 HD13 LEU 45 HD13 LEU 45 5.006 -15.775 -6.924 308 HD21 LEU 45 HD21 LEU 45 4.250 -12.285 -5.764 309 HD22 LEU 45 HD22 LEU 45 3.587 -13.917 -5.825 310 HD23 LEU 45 HD23 LEU 45 3.739 -12.971 -7.306 311 H ASP 46 H ASP 46 8.879 -14.590 -7.539 312 HA ASP 46 HA ASP 46 10.393 -12.142 -7.071 313 HB2 ASP 46 HB2 ASP 46 11.732 -12.782 -8.994 314 HB3 ASP 46 HB3 ASP 46 11.602 -14.142 -7.885 315 H GLY 47 H GLY 47 10.601 -10.575 -8.843 316 HA2 GLY 47 HA2 GLY 47 9.755 -9.580 -10.840 317 HA3 GLY 47 HA3 GLY 47 8.263 -10.481 -10.617 318 H MET 48 H MET 48 9.390 -9.137 -7.725 319 HA MET 48 HA MET 48 7.120 -7.406 -7.556 320 HB2 MET 48 HB2 MET 48 9.529 -7.628 -5.738 321 HB3 MET 48 HB3 MET 48 8.055 -6.738 -5.370 322 HG2 MET 48 HG2 MET 48 6.784 -8.816 -5.410 323 HG3 MET 48 HG3 MET 48 8.253 -9.713 -5.798 324 HE1 MET 48 HE1 MET 48 7.470 -10.726 -2.068 325 HE2 MET 48 HE2 MET 48 7.720 -11.321 -3.709 326 HE3 MET 48 HE3 MET 48 6.287 -10.367 -3.325 327 H GLN 49 H GLN 49 6.984 -5.442 -8.389 328 HA GLN 49 HA GLN 49 9.358 -3.740 -8.507 329 HB2 GLN 49 HB2 GLN 49 7.614 -4.417 -10.884 330 HB3 GLN 49 HB3 GLN 49 8.799 -3.119 -10.865 331 HG2 GLN 49 HG2 GLN 49 10.596 -4.674 -10.605 332 HG3 GLN 49 HG3 GLN 49 9.468 -6.011 -10.384 333 HE21 GLN 49 HE21 GLN 49 8.384 -6.841 -12.150 334 HE22 GLN 49 HE22 GLN 49 8.878 -6.517 -13.775 335 H ALA 50 H ALA 50 8.902 -1.765 -7.843 336 HA ALA 50 HA ALA 50 6.156 -1.017 -7.321 337 HB1 ALA 50 HB1 ALA 50 7.909 -0.570 -5.669 338 HB2 ALA 50 HB2 ALA 50 7.123 0.916 -6.198 339 HB3 ALA 50 HB3 ALA 50 8.719 0.495 -6.818 340 H ALA 51 H ALA 51 5.290 1.051 -7.976 341 HA ALA 51 HA ALA 51 5.999 1.767 -10.706 342 HB1 ALA 51 HB1 ALA 51 3.756 2.791 -8.964 343 HB2 ALA 51 HB2 ALA 51 3.630 1.432 -10.078 344 HB3 ALA 51 HB3 ALA 51 3.942 3.053 -10.698 345 H ALA 52 H ALA 52 6.424 3.959 -11.319 346 HA ALA 52 HA ALA 52 8.162 5.336 -9.538 347 HB1 ALA 52 HB1 ALA 52 8.353 6.997 -11.320 348 HB2 ALA 52 HB2 ALA 52 6.995 6.256 -12.166 349 HB3 ALA 52 HB3 ALA 52 8.500 5.361 -11.964 350 H LEU 53 H LEU 53 6.985 5.874 -7.726 351 HA LEU 53 HA LEU 53 4.550 7.409 -7.939 352 HB2 LEU 53 HB2 LEU 53 4.723 5.784 -6.165 353 HB3 LEU 53 HB3 LEU 53 6.203 6.517 -5.579 354 HG LEU 53 HG LEU 53 4.936 8.538 -4.952 355 HD11 LEU 53 HD11 LEU 53 2.537 6.905 -5.782 356 HD12 LEU 53 HD12 LEU 53 3.116 8.388 -6.545 357 HD13 LEU 53 HD13 LEU 53 2.481 8.433 -4.900 358 HD21 LEU 53 HD21 LEU 53 3.856 5.989 -3.773 359 HD22 LEU 53 HD22 LEU 53 3.801 7.585 -3.025 360 HD23 LEU 53 HD23 LEU 53 5.353 6.795 -3.306 361 H ASN 54 H ASN 54 4.664 9.496 -8.437 362 HA ASN 54 HA ASN 54 6.462 11.182 -6.851 363 HB2 ASN 54 HB2 ASN 54 7.457 10.845 -9.134 364 HB3 ASN 54 HB3 ASN 54 6.015 11.586 -9.819 365 HD21 ASN 54 HD21 ASN 54 7.006 13.345 -10.689 366 HD22 ASN 54 HD22 ASN 54 7.746 14.591 -9.746 367 H GLY 55 H GLY 55 4.931 12.122 -5.603 368 HA2 GLY 55 HA2 GLY 55 3.236 14.101 -6.649 369 HA3 GLY 55 HA3 GLY 55 2.285 12.643 -6.414 370 H SER 56 H SER 56 1.649 14.921 -5.065 371 HA SER 56 HA SER 56 2.688 14.541 -2.344 372 HB2 SER 56 HB2 SER 56 1.126 16.881 -3.463 373 HB3 SER 56 HB3 SER 56 1.913 16.797 -1.888 374 HG SER 56 HG SER 56 2.999 17.207 -4.417 375 H MET 57 H MET 57 1.452 13.044 -1.367 376 HA MET 57 HA MET 57 -1.261 13.680 -0.743 377 HB2 MET 57 HB2 MET 57 -2.165 11.470 -1.628 378 HB3 MET 57 HB3 MET 57 -1.855 12.725 -2.815 379 HG2 MET 57 HG2 MET 57 0.366 11.608 -3.233 380 HG3 MET 57 HG3 MET 57 -0.233 10.265 -2.261 381 HE1 MET 57 HE1 MET 57 -0.410 9.041 -6.033 382 HE2 MET 57 HE2 MET 57 0.343 8.774 -4.462 383 HE3 MET 57 HE3 MET 57 0.753 10.206 -5.403 384 H SER 58 H SER 58 -2.168 11.283 0.256 385 HA SER 58 HA SER 58 -0.271 10.926 2.430 386 HB2 SER 58 HB2 SER 58 -3.082 9.836 2.201 387 HB3 SER 58 HB3 SER 58 -2.097 9.935 3.658 388 HG SER 58 HG SER 58 -2.089 12.320 3.114 389 H VAL 59 H VAL 59 -0.844 8.415 3.358 390 HA VAL 59 HA VAL 59 0.903 6.858 1.764 391 HB VAL 59 HB VAL 59 -0.870 5.853 3.983 392 HG11 VAL 59 HG11 VAL 59 0.813 4.131 4.244 393 HG12 VAL 59 HG12 VAL 59 1.784 4.847 2.959 394 HG13 VAL 59 HG13 VAL 59 0.214 4.135 2.586 395 HG21 VAL 59 HG21 VAL 59 1.886 7.076 4.157 396 HG22 VAL 59 HG22 VAL 59 1.018 6.307 5.486 397 HG23 VAL 59 HG23 VAL 59 0.390 7.787 4.762 398 H GLU 60 H GLU 60 -2.589 6.854 2.206 399 HA GLU 60 HA GLU 60 -3.239 4.416 1.125 400 HB2 GLU 60 HB2 GLU 60 -4.810 6.945 0.647 401 HB3 GLU 60 HB3 GLU 60 -5.426 5.305 0.602 402 HG2 GLU 60 HG2 GLU 60 -6.147 5.995 2.656 403 HG3 GLU 60 HG3 GLU 60 -4.615 5.231 3.077 404 H GLN 61 H GLN 61 -3.460 7.436 -0.776 405 HA GLN 61 HA GLN 61 -3.832 6.077 -3.207 406 HB2 GLN 61 HB2 GLN 61 -2.929 8.909 -2.692 407 HB3 GLN 61 HB3 GLN 61 -3.406 8.289 -4.266 408 HG2 GLN 61 HG2 GLN 61 -5.168 8.406 -1.828 409 HG3 GLN 61 HG3 GLN 61 -5.202 9.540 -3.175 410 HE21 GLN 61 HE21 GLN 61 -4.805 7.552 -5.216 411 HE22 GLN 61 HE22 GLN 61 -6.281 6.658 -5.331 412 H GLY 62 H GLY 62 -0.918 7.253 -1.634 413 HA2 GLY 62 HA2 GLY 62 0.830 6.939 -3.831 414 HA3 GLY 62 HA3 GLY 62 1.301 6.932 -2.138 415 H LEU 63 H LEU 63 0.148 4.774 -1.105 416 HA LEU 63 HA LEU 63 1.866 2.712 -2.004 417 HB2 LEU 63 HB2 LEU 63 0.924 3.252 0.347 418 HB3 LEU 63 HB3 LEU 63 -0.464 2.316 -0.152 419 HG LEU 63 HG LEU 63 1.163 1.080 1.241 420 HD11 LEU 63 HD11 LEU 63 0.796 -0.015 -1.534 421 HD12 LEU 63 HD12 LEU 63 -0.384 -0.092 -0.225 422 HD13 LEU 63 HD13 LEU 63 1.152 -0.945 -0.080 423 HD21 LEU 63 HD21 LEU 63 3.267 0.358 0.331 424 HD22 LEU 63 HD22 LEU 63 3.206 2.119 0.277 425 HD23 LEU 63 HD23 LEU 63 2.944 1.180 -1.193 426 H ARG 64 H ARG 64 -1.553 3.404 -2.492 427 HA ARG 64 HA ARG 64 -2.470 1.033 -3.557 428 HB2 ARG 64 HB2 ARG 64 -3.106 3.853 -4.444 429 HB3 ARG 64 HB3 ARG 64 -3.979 2.439 -5.011 430 HG2 ARG 64 HG2 ARG 64 -4.710 1.963 -2.742 431 HG3 ARG 64 HG3 ARG 64 -3.806 3.357 -2.150 432 HD2 ARG 64 HD2 ARG 64 -6.062 4.056 -2.343 433 HD3 ARG 64 HD3 ARG 64 -5.203 4.773 -3.700 434 HE ARG 64 HE ARG 64 -6.245 2.378 -4.613 435 HH11 ARG 64 HH11 ARG 64 -7.512 5.378 -3.305 436 HH12 ARG 64 HH12 ARG 64 -9.002 5.270 -4.183 437 HH21 ARG 64 HH21 ARG 64 -8.211 2.242 -5.769 438 HH22 ARG 64 HH22 ARG 64 -9.404 3.496 -5.566 439 H ARG 65 H ARG 65 -1.097 3.736 -5.394 440 HA ARG 65 HA ARG 65 -0.994 2.320 -7.850 441 HB2 ARG 65 HB2 ARG 65 -1.138 4.780 -7.678 442 HB3 ARG 65 HB3 ARG 65 0.480 4.823 -6.989 443 HG2 ARG 65 HG2 ARG 65 1.418 3.996 -9.056 444 HG3 ARG 65 HG3 ARG 65 -0.196 3.825 -9.750 445 HD2 ARG 65 HD2 ARG 65 -0.545 6.226 -9.561 446 HD3 ARG 65 HD3 ARG 65 1.046 6.412 -8.824 447 HE ARG 65 HE ARG 65 1.728 5.303 -11.121 448 HH11 ARG 65 HH11 ARG 65 -0.575 7.858 -10.477 449 HH12 ARG 65 HH12 ARG 65 -0.366 8.610 -12.028 450 HH21 ARG 65 HH21 ARG 65 2.021 6.304 -13.158 451 HH22 ARG 65 HH22 ARG 65 1.103 7.723 -13.551 452 H LEU 66 H LEU 66 1.236 2.818 -5.233 453 HA LEU 66 HA LEU 66 3.641 2.181 -6.473 454 HB2 LEU 66 HB2 LEU 66 2.613 2.282 -3.724 455 HB3 LEU 66 HB3 LEU 66 4.029 1.285 -3.949 456 HG LEU 66 HG LEU 66 3.812 4.211 -4.652 457 HD11 LEU 66 HD11 LEU 66 5.247 2.796 -2.410 458 HD12 LEU 66 HD12 LEU 66 3.831 3.836 -2.254 459 HD13 LEU 66 HD13 LEU 66 5.370 4.515 -2.781 460 HD21 LEU 66 HD21 LEU 66 5.344 3.075 -6.148 461 HD22 LEU 66 HD22 LEU 66 6.153 2.315 -4.779 462 HD23 LEU 66 HD23 LEU 66 6.245 4.061 -4.997 463 H ILE 67 H ILE 67 1.479 -0.005 -4.634 464 HA ILE 67 HA ILE 67 3.338 -2.157 -5.057 465 HB ILE 67 HB ILE 67 0.748 -1.987 -3.566 466 HG12 ILE 67 HG12 ILE 67 3.630 -2.494 -2.823 467 HG13 ILE 67 HG13 ILE 67 2.636 -1.109 -2.387 468 HG21 ILE 67 HG21 ILE 67 2.366 -4.489 -4.026 469 HG22 ILE 67 HG22 ILE 67 0.745 -4.169 -4.642 470 HG23 ILE 67 HG23 ILE 67 1.013 -4.325 -2.906 471 HD11 ILE 67 HD11 ILE 67 1.216 -2.625 -1.035 472 HD12 ILE 67 HD12 ILE 67 2.886 -2.522 -0.477 473 HD13 ILE 67 HD13 ILE 67 2.348 -3.932 -1.390 474 H GLY 68 H GLY 68 -0.131 -1.783 -5.965 475 HA2 GLY 68 HA2 GLY 68 0.372 -4.099 -7.723 476 HA3 GLY 68 HA3 GLY 68 -1.156 -3.794 -6.922 477 H GLY 69 H GLY 69 -1.922 -1.366 -7.539 478 HA2 GLY 69 HA2 GLY 69 -2.831 -0.133 -9.298 479 HA3 GLY 69 HA3 GLY 69 -1.831 -1.047 -10.425 480 H ASN 70 H ASN 70 -2.728 -3.543 -9.069 481 HA ASN 70 HA ASN 70 -5.333 -3.875 -10.368 482 HB2 ASN 70 HB2 ASN 70 -4.846 -6.283 -10.279 483 HB3 ASN 70 HB3 ASN 70 -3.529 -5.424 -11.058 484 HD21 ASN 70 HD21 ASN 70 -3.623 -8.025 -9.708 485 HD22 ASN 70 HD22 ASN 70 -2.402 -7.962 -8.487 486 HA PRO 71 HA PRO 71 -7.585 -4.232 -6.590 487 HB2 PRO 71 HB2 PRO 71 -8.864 -6.671 -6.813 488 HB3 PRO 71 HB3 PRO 71 -9.418 -5.167 -7.554 489 HG2 PRO 71 HG2 PRO 71 -7.850 -7.409 -8.760 490 HG3 PRO 71 HG3 PRO 71 -9.182 -6.470 -9.458 491 HD2 PRO 71 HD2 PRO 71 -6.652 -5.983 -10.144 492 HD3 PRO 71 HD3 PRO 71 -7.812 -4.655 -9.944 493 H VAL 72 H VAL 72 -5.927 -4.378 -5.131 494 HA VAL 72 HA VAL 72 -5.739 -6.955 -3.755 495 HB VAL 72 HB VAL 72 -3.322 -5.154 -3.989 496 HG11 VAL 72 HG11 VAL 72 -3.334 -6.646 -2.088 497 HG12 VAL 72 HG12 VAL 72 -2.112 -7.162 -3.251 498 HG13 VAL 72 HG13 VAL 72 -3.646 -8.027 -3.141 499 HG21 VAL 72 HG21 VAL 72 -2.366 -6.714 -5.618 500 HG22 VAL 72 HG22 VAL 72 -3.811 -5.920 -6.244 501 HG23 VAL 72 HG23 VAL 72 -3.895 -7.587 -5.675 502 H ALA 73 H ALA 73 -5.133 -6.588 -1.418 503 HA ALA 73 HA ALA 73 -5.979 -3.887 -0.592 504 HB1 ALA 73 HB1 ALA 73 -6.491 -6.495 0.834 505 HB2 ALA 73 HB2 ALA 73 -7.679 -5.549 -0.065 506 HB3 ALA 73 HB3 ALA 73 -6.963 -4.895 1.407 507 H PHE 74 H PHE 74 -4.587 -2.764 0.619 508 HA PHE 74 HA PHE 74 -2.506 -4.283 2.037 509 HB2 PHE 74 HB2 PHE 74 -0.993 -2.411 1.851 510 HB3 PHE 74 HB3 PHE 74 -1.567 -2.847 0.250 511 HD1 PHE 74 HD1 PHE 74 -3.435 -1.425 -0.752 512 HD2 PHE 74 HD2 PHE 74 -1.144 -0.218 2.622 513 HE1 PHE 74 HE1 PHE 74 -4.033 0.915 -1.191 514 HE2 PHE 74 HE2 PHE 74 -1.732 2.140 2.184 515 HZ PHE 74 HZ PHE 74 -3.190 2.696 0.277 516 H ARG 75 H ARG 75 -2.157 -3.888 4.151 517 HA ARG 75 HA ARG 75 -4.088 -2.078 5.438 518 HB2 ARG 75 HB2 ARG 75 -2.910 -4.668 6.454 519 HB3 ARG 75 HB3 ARG 75 -3.942 -3.602 7.397 520 HG2 ARG 75 HG2 ARG 75 -5.747 -3.935 5.757 521 HG3 ARG 75 HG3 ARG 75 -4.710 -5.063 4.880 522 HD2 ARG 75 HD2 ARG 75 -6.250 -6.266 6.323 523 HD3 ARG 75 HD3 ARG 75 -4.588 -6.483 6.870 524 HE ARG 75 HE ARG 75 -5.889 -4.309 8.189 525 HH11 ARG 75 HH11 ARG 75 -5.521 -7.791 8.180 526 HH12 ARG 75 HH12 ARG 75 -5.926 -7.962 9.859 527 HH21 ARG 75 HH21 ARG 75 -6.407 -4.528 10.395 528 HH22 ARG 75 HH22 ARG 75 -6.419 -6.101 11.124 529 H LEU 76 H LEU 76 -3.208 -0.374 6.322 530 HA LEU 76 HA LEU 76 -0.389 -0.331 7.010 531 HB2 LEU 76 HB2 LEU 76 -2.477 1.834 7.305 532 HB3 LEU 76 HB3 LEU 76 -0.739 2.043 7.397 533 HG LEU 76 HG LEU 76 -2.191 1.135 4.911 534 HD11 LEU 76 HD11 LEU 76 -2.875 3.394 5.506 535 HD12 LEU 76 HD12 LEU 76 -1.849 3.395 4.072 536 HD13 LEU 76 HD13 LEU 76 -1.184 3.880 5.631 537 HD21 LEU 76 HD21 LEU 76 0.632 2.106 5.348 538 HD22 LEU 76 HD22 LEU 76 -0.085 1.682 3.790 539 HD23 LEU 76 HD23 LEU 76 0.145 0.443 5.024 540 H GLN 77 H GLN 77 -0.008 -1.442 8.830 541 HA GLN 77 HA GLN 77 -1.948 -1.570 10.946 542 HB2 GLN 77 HB2 GLN 77 0.847 -2.694 10.739 543 HB3 GLN 77 HB3 GLN 77 -0.298 -3.068 12.018 544 HG2 GLN 77 HG2 GLN 77 -0.697 -3.650 9.093 545 HG3 GLN 77 HG3 GLN 77 -0.208 -4.820 10.316 546 HE21 GLN 77 HE21 GLN 77 -1.702 -5.523 11.828 547 HE22 GLN 77 HE22 GLN 77 -3.404 -5.297 11.618 548 HA PRO 78 HA PRO 78 -0.617 1.924 13.278 549 HB2 PRO 78 HB2 PRO 78 -1.502 0.415 15.658 550 HB3 PRO 78 HB3 PRO 78 -2.064 1.969 15.036 551 HG2 PRO 78 HG2 PRO 78 -3.563 -0.231 14.822 552 HG3 PRO 78 HG3 PRO 78 -3.522 0.989 13.534 553 HD2 PRO 78 HD2 PRO 78 -2.148 -1.664 13.678 554 HD3 PRO 78 HD3 PRO 78 -2.952 -0.880 12.303 555 H GLN 79 H GLN 79 0.753 -1.157 13.690 556 HA GLN 79 HA GLN 79 2.608 -0.347 15.762 557 HB2 GLN 79 HB2 GLN 79 2.599 -2.816 14.012 558 HB3 GLN 79 HB3 GLN 79 3.645 -2.550 15.399 559 HG2 GLN 79 HG2 GLN 79 0.645 -2.757 15.467 560 HG3 GLN 79 HG3 GLN 79 1.781 -4.014 15.946 561 HE21 GLN 79 HE21 GLN 79 3.618 -2.158 17.226 562 HE22 GLN 79 HE22 GLN 79 2.857 -1.658 18.696 563 H GLY 80 H GLY 80 2.274 0.309 12.559 564 HA2 GLY 80 HA2 GLY 80 3.751 1.647 11.319 565 HA3 GLY 80 HA3 GLY 80 5.072 1.112 12.345 566 H GLN 81 H GLN 81 2.699 -0.863 10.625 567 HA GLN 81 HA GLN 81 4.872 -1.936 8.966 568 HB2 GLN 81 HB2 GLN 81 2.862 -3.583 10.513 569 HB3 GLN 81 HB3 GLN 81 4.018 -4.223 9.353 570 HG2 GLN 81 HG2 GLN 81 5.858 -3.581 10.750 571 HG3 GLN 81 HG3 GLN 81 4.771 -2.764 11.873 572 HE21 GLN 81 HE21 GLN 81 5.951 -5.817 10.736 573 HE22 GLN 81 HE22 GLN 81 5.296 -6.778 12.015 574 H ILE 82 H ILE 82 4.335 -2.121 6.889 575 HA ILE 82 HA ILE 82 1.518 -1.852 6.126 576 HB ILE 82 HB ILE 82 3.973 -1.837 4.357 577 HG12 ILE 82 HG12 ILE 82 2.314 0.469 5.403 578 HG13 ILE 82 HG13 ILE 82 3.960 0.080 5.890 579 HG21 ILE 82 HG21 ILE 82 2.453 -0.904 2.662 580 HG22 ILE 82 HG22 ILE 82 1.102 -1.119 3.775 581 HG23 ILE 82 HG23 ILE 82 1.976 -2.525 3.167 582 HD11 ILE 82 HD11 ILE 82 4.730 0.530 3.614 583 HD12 ILE 82 HD12 ILE 82 3.929 1.929 4.331 584 HD13 ILE 82 HD13 ILE 82 3.080 0.938 3.143 585 H VAL 83 H VAL 83 0.467 -3.732 6.079 586 HA VAL 83 HA VAL 83 1.908 -6.121 5.129 587 HB VAL 83 HB VAL 83 -0.648 -6.058 6.740 588 HG11 VAL 83 HG11 VAL 83 1.263 -8.292 6.070 589 HG12 VAL 83 HG12 VAL 83 -0.373 -8.085 5.448 590 HG13 VAL 83 HG13 VAL 83 -0.117 -8.428 7.158 591 HG21 VAL 83 HG21 VAL 83 1.166 -5.104 8.059 592 HG22 VAL 83 HG22 VAL 83 2.175 -6.506 7.706 593 HG23 VAL 83 HG23 VAL 83 0.713 -6.694 8.673 594 H LEU 84 H LEU 84 1.335 -6.947 3.224 595 HA LEU 84 HA LEU 84 -0.999 -5.894 1.853 596 HB2 LEU 84 HB2 LEU 84 1.273 -6.241 0.764 597 HB3 LEU 84 HB3 LEU 84 0.956 -7.962 0.850 598 HG LEU 84 HG LEU 84 -1.074 -7.613 -0.553 599 HD11 LEU 84 HD11 LEU 84 0.009 -4.809 -0.761 600 HD12 LEU 84 HD12 LEU 84 -1.529 -5.298 -0.052 601 HD13 LEU 84 HD13 LEU 84 -1.258 -5.484 -1.784 602 HD21 LEU 84 HD21 LEU 84 1.536 -6.670 -1.732 603 HD22 LEU 84 HD22 LEU 84 0.147 -7.255 -2.648 604 HD23 LEU 84 HD23 LEU 84 1.012 -8.346 -1.565 605 H SER 85 H SER 85 -2.765 -7.156 1.181 606 HA SER 85 HA SER 85 -2.872 -9.915 2.128 607 HB2 SER 85 HB2 SER 85 -4.905 -7.812 2.907 608 HB3 SER 85 HB3 SER 85 -5.016 -9.534 3.275 609 HG SER 85 HG SER 85 -2.630 -8.590 4.064 610 H ARG 86 H ARG 86 -4.226 -11.225 1.000 611 HA ARG 86 HA ARG 86 -5.488 -10.075 -1.383 612 HB2 ARG 86 HB2 ARG 86 -3.781 -11.879 -1.692 613 HB3 ARG 86 HB3 ARG 86 -4.822 -12.968 -0.789 614 HG2 ARG 86 HG2 ARG 86 -6.552 -12.736 -2.497 615 HG3 ARG 86 HG3 ARG 86 -5.508 -11.637 -3.401 616 HD2 ARG 86 HD2 ARG 86 -4.939 -14.529 -2.760 617 HD3 ARG 86 HD3 ARG 86 -5.389 -13.876 -4.335 618 HE ARG 86 HE ARG 86 -3.136 -12.492 -3.604 619 HH11 ARG 86 HH11 ARG 86 -3.940 -15.867 -4.060 620 HH12 ARG 86 HH12 ARG 86 -2.337 -16.311 -4.553 621 HH21 ARG 86 HH21 ARG 86 -1.020 -13.079 -4.224 622 HH22 ARG 86 HH22 ARG 86 -0.675 -14.728 -4.645 623 H LEU 87 H LEU 87 -7.226 -9.314 -0.056 624 HA LEU 87 HA LEU 87 -8.715 -10.968 1.649 625 HB2 LEU 87 HB2 LEU 87 -10.275 -9.181 1.845 626 HB3 LEU 87 HB3 LEU 87 -8.669 -8.501 1.789 627 HG LEU 87 HG LEU 87 -9.951 -7.009 0.566 628 HD11 LEU 87 HD11 LEU 87 -7.958 -7.556 -0.676 629 HD12 LEU 87 HD12 LEU 87 -9.288 -7.179 -1.772 630 HD13 LEU 87 HD13 LEU 87 -8.808 -8.857 -1.511 631 HD21 LEU 87 HD21 LEU 87 -11.593 -7.614 -1.144 632 HD22 LEU 87 HD22 LEU 87 -11.996 -8.283 0.436 633 HD23 LEU 87 HD23 LEU 87 -11.301 -9.321 -0.809 634 HA PRO 88 HA PRO 88 -11.150 -13.295 -1.208 635 HB2 PRO 88 HB2 PRO 88 -13.087 -14.109 0.530 636 HB3 PRO 88 HB3 PRO 88 -11.476 -14.831 0.461 637 HG2 PRO 88 HG2 PRO 88 -12.567 -12.810 2.367 638 HG3 PRO 88 HG3 PRO 88 -11.491 -14.181 2.682 639 HD2 PRO 88 HD2 PRO 88 -10.612 -11.617 2.485 640 HD3 PRO 88 HD3 PRO 88 -9.619 -13.019 2.040 641 H THR 89 H THR 89 -12.152 -12.011 -2.649 642 HA THR 89 HA THR 89 -14.200 -10.138 -1.795 643 HB THR 89 HB THR 89 -13.299 -10.732 -4.619 644 HG1 THR 89 HG1 THR 89 -11.821 -9.773 -2.680 645 HG21 THR 89 HG21 THR 89 -15.390 -9.458 -4.409 646 HG22 THR 89 HG22 THR 89 -14.092 -8.459 -5.065 647 HG23 THR 89 HG23 THR 89 -14.569 -8.286 -3.376 648 H ALA 90 H ALA 90 -16.146 -10.995 -1.397 649 HA ALA 90 HA ALA 90 -17.025 -13.469 -2.445 650 HB1 ALA 90 HB1 ALA 90 -18.628 -11.303 -1.095 651 HB2 ALA 90 HB2 ALA 90 -17.770 -12.611 -0.282 652 HB3 ALA 90 HB3 ALA 90 -19.135 -12.974 -1.336 653 H ASN 91 H ASN 91 -17.448 -13.741 -4.526 654 HA ASN 91 HA ASN 91 -19.257 -11.808 -5.826 655 HB2 ASN 91 HB2 ASN 91 -16.943 -13.323 -7.043 656 HB3 ASN 91 HB3 ASN 91 -18.194 -12.554 -8.006 657 HD21 ASN 91 HD21 ASN 91 -15.379 -12.096 -6.077 658 HD22 ASN 91 HD22 ASN 91 -15.190 -10.403 -6.393 659 H GLY 92 H GLY 92 -18.386 -15.141 -5.267 660 HA2 GLY 92 HA2 GLY 92 -20.632 -16.004 -6.972 661 HA3 GLY 92 HA3 GLY 92 -19.225 -16.984 -6.602 662 H ASP 93 H ASP 93 -20.455 -15.240 -3.933 663 HA ASP 93 HA ASP 93 -21.516 -17.724 -2.825 664 HB2 ASP 93 HB2 ASP 93 -19.953 -16.408 -1.439 665 HB3 ASP 93 HB3 ASP 93 -21.074 -15.049 -1.478 666 H GLY 94 H GLY 94 -22.521 -14.473 -3.670 667 HA2 GLY 94 HA2 GLY 94 -24.675 -13.976 -4.499 668 HA3 GLY 94 HA3 GLY 94 -25.293 -15.403 -3.683 669 H GLY 95 H GLY 95 -23.863 -14.620 -1.161 670 HA2 GLY 95 HA2 GLY 95 -24.789 -12.079 -0.335 671 HA3 GLY 95 HA3 GLY 95 -25.972 -13.302 0.101 672 H ALA 96 H ALA 96 -22.446 -12.886 0.214 673 HA ALA 96 HA ALA 96 -22.246 -14.508 2.583 674 HB1 ALA 96 HB1 ALA 96 -20.146 -12.865 1.174 675 HB2 ALA 96 HB2 ALA 96 -20.495 -14.567 0.874 676 HB3 ALA 96 HB3 ALA 96 -19.853 -14.059 2.436 677 H LEU 97 H LEU 97 -23.264 -13.525 4.271 678 HA LEU 97 HA LEU 97 -23.067 -10.768 4.877 679 HB2 LEU 97 HB2 LEU 97 -23.740 -13.089 6.689 680 HB3 LEU 97 HB3 LEU 97 -23.983 -11.398 7.081 681 HG LEU 97 HG LEU 97 -25.382 -12.924 4.882 682 HD11 LEU 97 HD11 LEU 97 -26.157 -13.551 7.093 683 HD12 LEU 97 HD12 LEU 97 -27.378 -12.587 6.262 684 HD13 LEU 97 HD13 LEU 97 -26.379 -11.854 7.517 685 HD21 LEU 97 HD21 LEU 97 -26.740 -10.889 4.637 686 HD22 LEU 97 HD22 LEU 97 -25.047 -10.611 4.234 687 HD23 LEU 97 HD23 LEU 97 -25.685 -10.061 5.782 688 H ALA 98 H ALA 98 -22.047 -9.842 6.773 689 HA ALA 98 HA ALA 98 -20.253 -9.322 8.050 690 HB1 ALA 98 HB1 ALA 98 -18.817 -11.051 8.972 691 HB2 ALA 98 HB2 ALA 98 -19.497 -12.234 7.854 692 HB3 ALA 98 HB3 ALA 98 -20.514 -11.513 9.103 693 H LEU 99 H LEU 99 -19.169 -11.704 5.629 694 HA LEU 99 HA LEU 99 -16.700 -10.426 5.127 695 HB2 LEU 99 HB2 LEU 99 -17.086 -12.786 4.635 696 HB3 LEU 99 HB3 LEU 99 -18.286 -12.356 3.433 697 HG LEU 99 HG LEU 99 -16.515 -11.273 2.082 698 HD11 LEU 99 HD11 LEU 99 -14.979 -10.718 3.899 699 HD12 LEU 99 HD12 LEU 99 -14.177 -11.648 2.636 700 HD13 LEU 99 HD13 LEU 99 -14.646 -12.433 4.143 701 HD21 LEU 99 HD21 LEU 99 -17.171 -13.590 1.657 702 HD22 LEU 99 HD22 LEU 99 -15.957 -14.146 2.810 703 HD23 LEU 99 HD23 LEU 99 -15.458 -13.334 1.326 704 H ASP 100 H ASP 100 -19.901 -9.872 4.014 705 HA ASP 100 HA ASP 100 -19.433 -8.678 1.534 706 HB2 ASP 100 HB2 ASP 100 -21.666 -9.314 2.259 707 HB3 ASP 100 HB3 ASP 100 -21.617 -8.112 3.542 708 H SER 101 H SER 101 -19.198 -7.354 4.778 709 HA SER 101 HA SER 101 -19.018 -4.635 4.053 710 HB2 SER 101 HB2 SER 101 -17.833 -6.056 6.448 711 HB3 SER 101 HB3 SER 101 -18.039 -4.312 6.290 712 HG SER 101 HG SER 101 -20.217 -4.546 6.378 713 H LEU 102 H LEU 102 -16.701 -7.236 4.046 714 HA LEU 102 HA LEU 102 -14.431 -5.489 3.680 715 HB2 LEU 102 HB2 LEU 102 -14.280 -7.681 4.855 716 HB3 LEU 102 HB3 LEU 102 -14.637 -8.483 3.340 717 HG LEU 102 HG LEU 102 -12.547 -7.571 2.387 718 HD11 LEU 102 HD11 LEU 102 -10.892 -6.565 3.892 719 HD12 LEU 102 HD12 LEU 102 -12.092 -6.545 5.185 720 HD13 LEU 102 HD13 LEU 102 -12.337 -5.567 3.738 721 HD21 LEU 102 HD21 LEU 102 -11.016 -8.982 3.714 722 HD22 LEU 102 HD22 LEU 102 -12.537 -9.790 3.337 723 HD23 LEU 102 HD23 LEU 102 -12.264 -9.132 4.949 724 H THR 103 H THR 103 -16.829 -6.957 1.748 725 HA THR 103 HA THR 103 -15.314 -7.094 -0.694 726 HB THR 103 HB THR 103 -18.324 -7.125 -0.428 727 HG1 THR 103 HG1 THR 103 -16.739 -8.768 0.793 728 HG21 THR 103 HG21 THR 103 -16.465 -8.399 -2.440 729 HG22 THR 103 HG22 THR 103 -17.438 -6.955 -2.714 730 HG23 THR 103 HG23 THR 103 -18.224 -8.511 -2.440 731 H VAL 104 H VAL 104 -16.924 -4.651 1.039 732 HA VAL 104 HA VAL 104 -17.780 -2.962 -1.055 733 HB VAL 104 HB VAL 104 -16.837 -2.157 1.706 734 HG11 VAL 104 HG11 VAL 104 -18.584 -0.732 -0.297 735 HG12 VAL 104 HG12 VAL 104 -16.974 -0.250 0.238 736 HG13 VAL 104 HG13 VAL 104 -18.327 -0.213 1.368 737 HG21 VAL 104 HG21 VAL 104 -19.607 -2.877 0.753 738 HG22 VAL 104 HG22 VAL 104 -19.195 -2.259 2.352 739 HG23 VAL 104 HG23 VAL 104 -18.598 -3.835 1.836 740 H LEU 105 H LEU 105 -16.645 -1.797 -2.456 741 HA LEU 105 HA LEU 105 -13.846 -1.974 -2.627 742 HB2 LEU 105 HB2 LEU 105 -15.334 -1.644 -4.561 743 HB3 LEU 105 HB3 LEU 105 -15.699 -0.025 -3.999 744 HG LEU 105 HG LEU 105 -13.321 0.595 -4.306 745 HD11 LEU 105 HD11 LEU 105 -12.309 -1.594 -4.027 746 HD12 LEU 105 HD12 LEU 105 -11.856 -0.898 -5.582 747 HD13 LEU 105 HD13 LEU 105 -13.084 -2.161 -5.505 748 HD21 LEU 105 HD21 LEU 105 -14.962 1.028 -6.064 749 HD22 LEU 105 HD22 LEU 105 -14.644 -0.562 -6.757 750 HD23 LEU 105 HD23 LEU 105 -13.375 0.662 -6.741 751 H GLY 106 H GLY 106 -15.883 0.240 -0.962 752 HA2 GLY 106 HA2 GLY 106 -13.971 2.330 -0.615 753 HA3 GLY 106 HA3 GLY 106 -15.417 2.072 0.352 754 H ALA 107 H ALA 107 -12.320 0.446 -0.228 755 HA ALA 107 HA ALA 107 -12.138 -0.210 2.622 756 HB1 ALA 107 HB1 ALA 107 -10.432 -1.137 0.306 757 HB2 ALA 107 HB2 ALA 107 -11.794 -2.024 0.988 758 HB3 ALA 107 HB3 ALA 107 -10.355 -1.733 1.964 759 H GLY 108 H GLY 108 -10.264 0.297 3.814 760 HA2 GLY 108 HA2 GLY 108 -9.262 2.910 3.306 761 HA3 GLY 108 HA3 GLY 108 -8.768 1.845 4.612 762 H GLY 109 H GLY 109 -8.250 -0.115 2.201 763 HA2 GLY 109 HA2 GLY 109 -5.904 1.108 1.030 764 HA3 GLY 109 HA3 GLY 109 -5.581 -0.226 2.127 765 H ASN 110 H ASN 110 -6.713 0.710 -0.980 766 HA ASN 110 HA ASN 110 -6.610 -2.109 -1.787 767 HB2 ASN 110 HB2 ASN 110 -8.381 -1.696 -3.460 768 HB3 ASN 110 HB3 ASN 110 -8.964 -1.473 -1.817 769 HD21 ASN 110 HD21 ASN 110 -9.909 -0.442 -4.423 770 HD22 ASN 110 HD22 ASN 110 -9.996 1.272 -4.229 771 H ASN 111 H ASN 111 -5.135 -2.475 -3.306 772 HA ASN 111 HA ASN 111 -3.531 -0.280 -4.179 773 HB2 ASN 111 HB2 ASN 111 -3.350 -3.186 -4.984 774 HB3 ASN 111 HB3 ASN 111 -2.113 -1.958 -5.262 775 HD21 ASN 111 HD21 ASN 111 -0.963 -1.127 -3.506 776 HD22 ASN 111 HD22 ASN 111 -0.867 -1.999 -2.020 777 H ALA 112 H ALA 112 -6.375 -1.367 -5.359 778 HA ALA 112 HA ALA 112 -5.758 -0.895 -8.166 779 HB1 ALA 112 HB1 ALA 112 -8.324 -1.647 -6.768 780 HB2 ALA 112 HB2 ALA 112 -7.287 -2.698 -7.735 781 HB3 ALA 112 HB3 ALA 112 -8.177 -1.386 -8.505 Start of MODEL 12 1 H1 SER 6 H1 SER 6 -5.704 17.414 12.548 2 H2 SER 6 H2 SER 6 -7.136 16.797 13.194 3 H3 SER 6 H3 SER 6 -6.280 17.989 14.031 4 HA SER 6 HA SER 6 -8.215 18.913 12.968 5 HB2 SER 6 HB2 SER 6 -6.154 20.282 13.225 6 HB3 SER 6 HB3 SER 6 -5.644 19.776 11.616 7 HG SER 6 HG SER 6 -6.649 21.720 11.363 8 H MET 7 H MET 7 -9.049 19.711 10.805 9 HA MET 7 HA MET 7 -9.847 17.483 9.358 10 HB2 MET 7 HB2 MET 7 -11.097 19.605 9.461 11 HB3 MET 7 HB3 MET 7 -9.882 20.359 8.438 12 HG2 MET 7 HG2 MET 7 -11.854 19.756 7.161 13 HG3 MET 7 HG3 MET 7 -10.446 18.839 6.624 14 HE1 MET 7 HE1 MET 7 -13.388 16.310 6.085 15 HE2 MET 7 HE2 MET 7 -12.048 17.172 5.330 16 HE3 MET 7 HE3 MET 7 -13.468 18.059 5.883 17 H ALA 8 H ALA 8 -7.728 20.087 8.103 18 HA ALA 8 HA ALA 8 -7.104 18.566 5.764 19 HB1 ALA 8 HB1 ALA 8 -5.790 21.060 6.826 20 HB2 ALA 8 HB2 ALA 8 -7.161 21.005 5.721 21 HB3 ALA 8 HB3 ALA 8 -5.590 20.390 5.209 22 H GLN 9 H GLN 9 -5.748 18.829 8.914 23 HA GLN 9 HA GLN 9 -3.152 17.845 8.343 24 HB2 GLN 9 HB2 GLN 9 -3.704 18.992 10.438 25 HB3 GLN 9 HB3 GLN 9 -4.790 17.683 10.879 26 HG2 GLN 9 HG2 GLN 9 -2.918 16.146 11.011 27 HG3 GLN 9 HG3 GLN 9 -1.814 17.427 10.509 28 HE21 GLN 9 HE21 GLN 9 -0.623 17.244 12.403 29 HE22 GLN 9 HE22 GLN 9 -1.212 17.834 13.917 30 H ALA 10 H ALA 10 -6.259 16.345 8.857 31 HA ALA 10 HA ALA 10 -5.248 13.664 9.043 32 HB1 ALA 10 HB1 ALA 10 -8.046 14.616 8.442 33 HB2 ALA 10 HB2 ALA 10 -7.390 14.324 10.053 34 HB3 ALA 10 HB3 ALA 10 -7.576 12.985 8.920 35 H ALA 11 H ALA 11 -5.404 15.820 6.562 36 HA ALA 11 HA ALA 11 -5.408 13.662 4.557 37 HB1 ALA 11 HB1 ALA 11 -7.275 15.190 4.188 38 HB2 ALA 11 HB2 ALA 11 -6.084 15.344 2.897 39 HB3 ALA 11 HB3 ALA 11 -6.165 16.561 4.171 40 H GLN 12 H GLN 12 -3.161 13.732 5.700 41 HA GLN 12 HA GLN 12 -1.399 15.878 5.032 42 HB2 GLN 12 HB2 GLN 12 -1.035 14.585 7.050 43 HB3 GLN 12 HB3 GLN 12 -0.881 13.104 6.115 44 HG2 GLN 12 HG2 GLN 12 1.130 14.077 5.027 45 HG3 GLN 12 HG3 GLN 12 1.005 15.443 6.133 46 HE21 GLN 12 HE21 GLN 12 1.504 15.160 8.293 47 HE22 GLN 12 HE22 GLN 12 2.343 13.763 8.875 48 H GLN 13 H GLN 13 -1.101 16.177 2.877 49 HA GLN 13 HA GLN 13 -0.322 13.868 1.263 50 HB2 GLN 13 HB2 GLN 13 -0.559 15.349 -0.673 51 HB3 GLN 13 HB3 GLN 13 -2.023 15.327 0.294 52 HG2 GLN 13 HG2 GLN 13 -1.388 17.472 1.290 53 HG3 GLN 13 HG3 GLN 13 0.065 17.495 0.292 54 HE21 GLN 13 HE21 GLN 13 -0.505 19.364 -0.773 55 HE22 GLN 13 HE22 GLN 13 -1.798 19.433 -1.918 56 H LYS 14 H LYS 14 1.732 13.435 0.885 57 HA LYS 14 HA LYS 14 3.712 15.569 1.367 58 HB2 LYS 14 HB2 LYS 14 4.170 12.596 1.678 59 HB3 LYS 14 HB3 LYS 14 5.257 13.894 2.148 60 HG2 LYS 14 HG2 LYS 14 2.578 13.311 3.393 61 HG3 LYS 14 HG3 LYS 14 4.147 12.887 4.074 62 HD2 LYS 14 HD2 LYS 14 3.297 15.713 3.454 63 HD3 LYS 14 HD3 LYS 14 3.096 14.953 5.032 64 HE2 LYS 14 HE2 LYS 14 5.539 14.575 5.116 65 HE3 LYS 14 HE3 LYS 14 5.695 15.434 3.584 66 HZ1 LYS 14 HZ1 LYS 14 4.540 16.619 6.047 67 HZ2 LYS 14 HZ2 LYS 14 4.888 17.420 4.598 68 HZ3 LYS 14 HZ3 LYS 14 6.146 16.822 5.555 69 H ASN 15 H ASN 15 5.469 15.692 -0.058 70 HA ASN 15 HA ASN 15 4.891 14.731 -2.718 71 HB2 ASN 15 HB2 ASN 15 5.747 17.022 -2.366 72 HB3 ASN 15 HB3 ASN 15 7.238 16.355 -1.707 73 HD21 ASN 15 HD21 ASN 15 5.355 16.909 -4.562 74 HD22 ASN 15 HD22 ASN 15 6.598 16.525 -5.704 75 H PHE 16 H PHE 16 5.282 12.635 -3.011 76 HA PHE 16 HA PHE 16 7.726 11.463 -1.893 77 HB2 PHE 16 HB2 PHE 16 5.328 10.139 -3.171 78 HB3 PHE 16 HB3 PHE 16 6.706 9.293 -2.483 79 HD1 PHE 16 HD1 PHE 16 7.187 9.737 -0.004 80 HD2 PHE 16 HD2 PHE 16 3.476 10.564 -1.874 81 HE1 PHE 16 HE1 PHE 16 6.082 9.680 2.198 82 HE2 PHE 16 HE2 PHE 16 2.350 10.513 0.315 83 HZ PHE 16 HZ PHE 16 3.656 10.070 2.357 84 H ASN 17 H ASN 17 9.159 10.273 -3.183 85 HA ASN 17 HA ASN 17 8.847 10.493 -6.079 86 HB2 ASN 17 HB2 ASN 17 11.311 11.136 -6.224 87 HB3 ASN 17 HB3 ASN 17 10.205 12.393 -5.692 88 HD21 ASN 17 HD21 ASN 17 12.791 10.269 -4.780 89 HD22 ASN 17 HD22 ASN 17 13.153 11.025 -3.266 90 H ILE 18 H ILE 18 8.465 8.308 -6.192 91 HA ILE 18 HA ILE 18 10.654 6.554 -5.275 92 HB ILE 18 HB ILE 18 7.813 5.672 -5.772 93 HG12 ILE 18 HG12 ILE 18 7.845 7.339 -3.942 94 HG13 ILE 18 HG13 ILE 18 7.416 5.730 -3.372 95 HG21 ILE 18 HG21 ILE 18 8.488 3.731 -4.410 96 HG22 ILE 18 HG22 ILE 18 10.121 4.389 -4.317 97 HG23 ILE 18 HG23 ILE 18 9.452 3.902 -5.876 98 HD11 ILE 18 HD11 ILE 18 10.097 7.068 -3.089 99 HD12 ILE 18 HD12 ILE 18 9.702 5.439 -2.538 100 HD13 ILE 18 HD13 ILE 18 8.896 6.835 -1.818 101 H ALA 19 H ALA 19 11.892 6.190 -7.027 102 HA ALA 19 HA ALA 19 10.847 5.653 -9.641 103 HB1 ALA 19 HB1 ALA 19 13.540 4.999 -8.430 104 HB2 ALA 19 HB2 ALA 19 13.140 6.455 -9.342 105 HB3 ALA 19 HB3 ALA 19 13.133 4.883 -10.143 106 H ALA 20 H ALA 20 11.109 3.424 -10.669 107 HA ALA 20 HA ALA 20 9.674 1.587 -9.044 108 HB1 ALA 20 HB1 ALA 20 9.377 1.679 -11.473 109 HB2 ALA 20 HB2 ALA 20 9.841 0.060 -10.945 110 HB3 ALA 20 HB3 ALA 20 11.035 1.118 -11.697 111 H GLN 21 H GLN 21 10.715 0.912 -7.320 112 HA GLN 21 HA GLN 21 13.290 -0.466 -7.605 113 HB2 GLN 21 HB2 GLN 21 11.840 0.553 -5.146 114 HB3 GLN 21 HB3 GLN 21 13.399 -0.263 -5.132 115 HG2 GLN 21 HG2 GLN 21 14.465 1.531 -6.216 116 HG3 GLN 21 HG3 GLN 21 12.931 2.267 -6.675 117 HE21 GLN 21 HE21 GLN 21 11.772 3.426 -5.162 118 HE22 GLN 21 HE22 GLN 21 12.469 3.965 -3.672 119 HA PRO 22 HA PRO 22 11.292 -4.413 -6.553 120 HB2 PRO 22 HB2 PRO 22 13.320 -4.725 -4.409 121 HB3 PRO 22 HB3 PRO 22 12.937 -5.807 -5.752 122 HG2 PRO 22 HG2 PRO 22 15.188 -4.366 -5.740 123 HG3 PRO 22 HG3 PRO 22 14.287 -4.658 -7.239 124 HD2 PRO 22 HD2 PRO 22 14.391 -2.199 -5.537 125 HD3 PRO 22 HD3 PRO 22 14.349 -2.346 -7.306 126 H LEU 23 H LEU 23 9.584 -4.742 -5.214 127 HA LEU 23 HA LEU 23 8.618 -2.625 -3.761 128 HB2 LEU 23 HB2 LEU 23 7.879 -5.438 -4.155 129 HB3 LEU 23 HB3 LEU 23 7.142 -4.647 -2.792 130 HG LEU 23 HG LEU 23 7.007 -3.646 -5.629 131 HD11 LEU 23 HD11 LEU 23 4.620 -4.333 -5.484 132 HD12 LEU 23 HD12 LEU 23 4.996 -5.163 -3.974 133 HD13 LEU 23 HD13 LEU 23 5.754 -5.682 -5.480 134 HD21 LEU 23 HD21 LEU 23 6.824 -1.852 -4.007 135 HD22 LEU 23 HD22 LEU 23 5.582 -2.744 -3.130 136 HD23 LEU 23 HD23 LEU 23 5.262 -2.157 -4.762 137 H GLN 24 H GLN 24 10.494 -5.328 -2.562 138 HA GLN 24 HA GLN 24 9.964 -4.996 0.188 139 HB2 GLN 24 HB2 GLN 24 12.491 -6.014 -1.132 140 HB3 GLN 24 HB3 GLN 24 12.024 -6.275 0.542 141 HG2 GLN 24 HG2 GLN 24 10.126 -7.596 -0.153 142 HG3 GLN 24 HG3 GLN 24 10.486 -7.266 -1.847 143 HE21 GLN 24 HE21 GLN 24 10.727 -9.427 -2.358 144 HE22 GLN 24 HE22 GLN 24 12.085 -10.359 -1.838 145 H SER 25 H SER 25 12.534 -3.700 -1.885 146 HA SER 25 HA SER 25 13.631 -2.112 0.271 147 HB2 SER 25 HB2 SER 25 14.394 -2.070 -2.655 148 HB3 SER 25 HB3 SER 25 15.369 -1.545 -1.281 149 HG SER 25 HG SER 25 15.041 -3.880 -0.588 150 H ALA 26 H ALA 26 11.444 -1.732 -2.392 151 HA ALA 26 HA ALA 26 11.483 1.041 -2.760 152 HB1 ALA 26 HB1 ALA 26 9.103 -0.805 -2.898 153 HB2 ALA 26 HB2 ALA 26 10.269 -0.553 -4.199 154 HB3 ALA 26 HB3 ALA 26 9.246 0.780 -3.661 155 H MET 27 H MET 27 9.418 -0.931 -0.652 156 HA MET 27 HA MET 27 8.248 1.358 0.606 157 HB2 MET 27 HB2 MET 27 8.196 -1.531 1.480 158 HB3 MET 27 HB3 MET 27 7.141 -0.250 2.064 159 HG2 MET 27 HG2 MET 27 7.261 -1.301 -0.751 160 HG3 MET 27 HG3 MET 27 6.012 -1.654 0.441 161 HE1 MET 27 HE1 MET 27 4.299 0.595 -2.267 162 HE2 MET 27 HE2 MET 27 4.750 -1.055 -1.828 163 HE3 MET 27 HE3 MET 27 5.876 -0.043 -2.726 164 H LEU 28 H LEU 28 11.139 -0.399 1.064 165 HA LEU 28 HA LEU 28 11.578 0.336 3.763 166 HB2 LEU 28 HB2 LEU 28 12.960 -1.336 2.645 167 HB3 LEU 28 HB3 LEU 28 13.554 -0.125 1.525 168 HG LEU 28 HG LEU 28 14.648 1.050 3.408 169 HD11 LEU 28 HD11 LEU 28 13.186 0.352 5.214 170 HD12 LEU 28 HD12 LEU 28 14.853 -0.099 5.568 171 HD13 LEU 28 HD13 LEU 28 13.708 -1.321 5.016 172 HD21 LEU 28 HD21 LEU 28 15.377 -1.864 3.158 173 HD22 LEU 28 HD22 LEU 28 16.429 -0.576 3.743 174 HD23 LEU 28 HD23 LEU 28 15.883 -0.575 2.067 175 H ARG 29 H ARG 29 12.789 1.792 0.737 176 HA ARG 29 HA ARG 29 13.788 4.147 1.844 177 HB2 ARG 29 HB2 ARG 29 12.653 3.621 -0.908 178 HB3 ARG 29 HB3 ARG 29 13.510 5.090 -0.465 179 HG2 ARG 29 HG2 ARG 29 14.764 2.387 -0.136 180 HG3 ARG 29 HG3 ARG 29 14.824 3.264 -1.666 181 HD2 ARG 29 HD2 ARG 29 16.838 3.647 -0.322 182 HD3 ARG 29 HD3 ARG 29 15.929 5.135 -0.574 183 HE ARG 29 HE ARG 29 15.577 3.634 1.926 184 HH11 ARG 29 HH11 ARG 29 16.751 6.483 0.263 185 HH12 ARG 29 HH12 ARG 29 16.900 7.422 1.713 186 HH21 ARG 29 HH21 ARG 29 15.749 4.862 3.830 187 HH22 ARG 29 HH22 ARG 29 16.339 6.500 3.744 188 H PHE 30 H PHE 30 10.587 3.476 0.502 189 HA PHE 30 HA PHE 30 9.589 6.103 0.834 190 HB2 PHE 30 HB2 PHE 30 8.450 4.833 -0.756 191 HB3 PHE 30 HB3 PHE 30 8.347 3.426 0.294 192 HD1 PHE 30 HD2 PHE 30 7.121 6.944 0.068 193 HD2 PHE 30 HD1 PHE 30 6.365 2.957 1.343 194 HE1 PHE 30 HE2 PHE 30 4.846 7.593 0.736 195 HE2 PHE 30 HE1 PHE 30 4.094 3.600 2.018 196 HZ PHE 30 HZ PHE 30 3.332 5.921 1.715 197 H ALA 31 H ALA 31 9.013 3.132 2.745 198 HA ALA 31 HA ALA 31 7.259 4.596 4.476 199 HB1 ALA 31 HB1 ALA 31 6.738 2.307 3.854 200 HB2 ALA 31 HB2 ALA 31 6.876 2.483 5.603 201 HB3 ALA 31 HB3 ALA 31 8.188 1.744 4.684 202 H GLU 32 H GLU 32 10.653 3.801 4.560 203 HA GLU 32 HA GLU 32 11.162 4.091 7.295 204 HB2 GLU 32 HB2 GLU 32 12.726 4.932 4.871 205 HB3 GLU 32 HB3 GLU 32 13.277 5.401 6.471 206 HG2 GLU 32 HG2 GLU 32 13.342 3.019 7.109 207 HG3 GLU 32 HG3 GLU 32 12.879 2.593 5.462 208 H GLN 33 H GLN 33 10.419 6.465 4.850 209 HA GLN 33 HA GLN 33 10.764 8.736 6.573 210 HB2 GLN 33 HB2 GLN 33 9.505 8.448 3.841 211 HB3 GLN 33 HB3 GLN 33 9.799 9.981 4.652 212 HG2 GLN 33 HG2 GLN 33 12.151 9.686 4.539 213 HG3 GLN 33 HG3 GLN 33 11.976 8.013 4.011 214 HE21 GLN 33 HE21 GLN 33 11.506 7.570 1.894 215 HE22 GLN 33 HE22 GLN 33 11.561 8.772 0.649 216 H ALA 34 H ALA 34 8.257 6.507 5.872 217 HA ALA 34 HA ALA 34 6.201 8.303 6.950 218 HB1 ALA 34 HB1 ALA 34 5.747 7.194 4.791 219 HB2 ALA 34 HB2 ALA 34 4.574 6.769 6.038 220 HB3 ALA 34 HB3 ALA 34 5.846 5.630 5.601 221 H GLY 35 H GLY 35 8.369 6.385 8.262 222 HA2 GLY 35 HA2 GLY 35 8.553 5.384 10.320 223 HA3 GLY 35 HA3 GLY 35 6.982 6.069 10.703 224 H MET 36 H MET 36 7.705 3.804 8.104 225 HA MET 36 HA MET 36 6.422 1.610 9.533 226 HB2 MET 36 HB2 MET 36 5.333 2.783 6.965 227 HB3 MET 36 HB3 MET 36 4.902 1.186 7.557 228 HG2 MET 36 HG2 MET 36 3.973 2.199 9.582 229 HG3 MET 36 HG3 MET 36 4.389 3.797 8.967 230 HE1 MET 36 HE1 MET 36 3.255 4.926 6.882 231 HE2 MET 36 HE2 MET 36 2.033 4.149 5.876 232 HE3 MET 36 HE3 MET 36 3.692 3.551 5.869 233 H GLN 37 H GLN 37 6.394 -0.384 7.975 234 HA GLN 37 HA GLN 37 8.285 -0.270 5.788 235 HB2 GLN 37 HB2 GLN 37 8.900 -1.643 8.349 236 HB3 GLN 37 HB3 GLN 37 9.283 -2.515 6.872 237 HG2 GLN 37 HG2 GLN 37 10.617 -0.581 6.117 238 HG3 GLN 37 HG3 GLN 37 10.293 0.208 7.663 239 HE21 GLN 37 HE21 GLN 37 11.949 -2.381 6.054 240 HE22 GLN 37 HE22 GLN 37 13.044 -2.749 7.340 241 H VAL 38 H VAL 38 8.165 -2.150 4.416 242 HA VAL 38 HA VAL 38 5.525 -3.282 4.401 243 HB VAL 38 HB VAL 38 6.509 -2.652 2.272 244 HG11 VAL 38 HG11 VAL 38 8.591 -4.781 2.723 245 HG12 VAL 38 HG12 VAL 38 8.872 -3.044 2.835 246 HG13 VAL 38 HG13 VAL 38 8.412 -3.763 1.292 247 HG21 VAL 38 HG21 VAL 38 4.902 -4.466 2.253 248 HG22 VAL 38 HG22 VAL 38 6.193 -5.638 2.515 249 HG23 VAL 38 HG23 VAL 38 6.127 -4.720 1.011 250 H PHE 39 H PHE 39 4.950 -5.048 5.437 251 HA PHE 39 HA PHE 39 7.046 -7.010 6.082 252 HB2 PHE 39 HB2 PHE 39 6.326 -5.647 8.062 253 HB3 PHE 39 HB3 PHE 39 4.702 -6.296 7.856 254 HD1 PHE 39 HD2 PHE 39 8.174 -7.117 8.737 255 HD2 PHE 39 HD1 PHE 39 4.158 -8.513 8.554 256 HE1 PHE 39 HE2 PHE 39 8.792 -9.062 10.112 257 HE2 PHE 39 HE1 PHE 39 4.769 -10.459 9.930 258 HZ PHE 39 HZ PHE 39 7.088 -10.736 10.711 259 H PHE 40 H PHE 40 6.604 -9.072 5.688 260 HA PHE 40 HA PHE 40 3.874 -9.946 5.265 261 HB2 PHE 40 HB2 PHE 40 4.577 -11.081 3.093 262 HB3 PHE 40 HB3 PHE 40 4.351 -9.339 3.024 263 HD1 PHE 40 HD1 PHE 40 6.283 -7.843 2.826 264 HD2 PHE 40 HD2 PHE 40 6.729 -12.074 2.741 265 HE1 PHE 40 HE1 PHE 40 8.533 -7.580 1.869 266 HE2 PHE 40 HE2 PHE 40 8.982 -11.818 1.786 267 HZ PHE 40 HZ PHE 40 9.887 -9.570 1.349 268 H ASP 41 H ASP 41 3.577 -12.105 5.629 269 HA ASP 41 HA ASP 41 5.543 -13.373 7.266 270 HB2 ASP 41 HB2 ASP 41 2.852 -14.281 6.233 271 HB3 ASP 41 HB3 ASP 41 3.861 -15.276 7.274 272 H GLU 42 H GLU 42 5.401 -16.038 6.664 273 HA GLU 42 HA GLU 42 7.353 -16.327 4.679 274 HB2 GLU 42 HB2 GLU 42 5.555 -18.359 5.986 275 HB3 GLU 42 HB3 GLU 42 6.868 -18.781 4.897 276 HG2 GLU 42 HG2 GLU 42 8.458 -17.705 6.416 277 HG3 GLU 42 HG3 GLU 42 7.131 -17.330 7.518 278 H VAL 43 H VAL 43 6.712 -15.482 2.759 279 HA VAL 43 HA VAL 43 5.171 -17.297 1.111 280 HB VAL 43 HB VAL 43 3.455 -15.706 1.826 281 HG11 VAL 43 HG11 VAL 43 3.596 -13.328 1.241 282 HG12 VAL 43 HG12 VAL 43 5.254 -13.570 0.690 283 HG13 VAL 43 HG13 VAL 43 4.848 -13.805 2.390 284 HG21 VAL 43 HG21 VAL 43 4.317 -15.290 -1.032 285 HG22 VAL 43 HG22 VAL 43 2.722 -14.909 -0.386 286 HG23 VAL 43 HG23 VAL 43 3.282 -16.580 -0.422 287 H LYS 44 H LYS 44 6.037 -17.436 -0.911 288 HA LYS 44 HA LYS 44 8.554 -16.103 -1.316 289 HB2 LYS 44 HB2 LYS 44 8.237 -18.477 -1.922 290 HB3 LYS 44 HB3 LYS 44 7.056 -17.998 -3.134 291 HG2 LYS 44 HG2 LYS 44 8.782 -16.760 -4.336 292 HG3 LYS 44 HG3 LYS 44 9.968 -17.228 -3.116 293 HD2 LYS 44 HD2 LYS 44 10.174 -18.659 -5.057 294 HD3 LYS 44 HD3 LYS 44 9.576 -19.595 -3.686 295 HE2 LYS 44 HE2 LYS 44 7.299 -19.406 -4.550 296 HE3 LYS 44 HE3 LYS 44 7.889 -18.458 -5.913 297 HZ1 LYS 44 HZ1 LYS 44 7.567 -20.751 -6.540 298 HZ2 LYS 44 HZ2 LYS 44 8.605 -21.274 -5.313 299 HZ3 LYS 44 HZ3 LYS 44 9.212 -20.366 -6.603 300 H LEU 45 H LEU 45 8.593 -14.088 -2.026 301 HA LEU 45 HA LEU 45 6.676 -13.308 -4.119 302 HB2 LEU 45 HB2 LEU 45 8.071 -11.545 -2.101 303 HB3 LEU 45 HB3 LEU 45 6.965 -10.996 -3.344 304 HG LEU 45 HG LEU 45 6.263 -12.753 -0.990 305 HD11 LEU 45 HD11 LEU 45 6.653 -10.429 -0.380 306 HD12 LEU 45 HD12 LEU 45 4.941 -10.832 -0.264 307 HD13 LEU 45 HD13 LEU 45 5.535 -9.900 -1.637 308 HD21 LEU 45 HD21 LEU 45 4.525 -11.676 -3.208 309 HD22 LEU 45 HD22 LEU 45 3.942 -12.491 -1.756 310 HD23 LEU 45 HD23 LEU 45 4.932 -13.368 -2.921 311 H ASP 46 H ASP 46 7.794 -13.686 -5.946 312 HA ASP 46 HA ASP 46 10.472 -12.481 -6.170 313 HB2 ASP 46 HB2 ASP 46 10.385 -14.947 -6.519 314 HB3 ASP 46 HB3 ASP 46 9.277 -14.690 -7.862 315 H GLY 47 H GLY 47 10.787 -10.896 -7.616 316 HA2 GLY 47 HA2 GLY 47 10.473 -9.635 -9.535 317 HA3 GLY 47 HA3 GLY 47 9.100 -10.650 -9.944 318 H MET 48 H MET 48 9.191 -9.241 -6.783 319 HA MET 48 HA MET 48 6.842 -7.688 -7.415 320 HB2 MET 48 HB2 MET 48 8.379 -8.171 -4.871 321 HB3 MET 48 HB3 MET 48 7.081 -6.991 -4.952 322 HG2 MET 48 HG2 MET 48 6.831 -9.932 -5.530 323 HG3 MET 48 HG3 MET 48 6.301 -9.108 -4.064 324 HE1 MET 48 HE1 MET 48 3.804 -9.916 -4.180 325 HE2 MET 48 HE2 MET 48 4.300 -10.938 -5.528 326 HE3 MET 48 HE3 MET 48 2.861 -9.930 -5.671 327 H GLN 49 H GLN 49 6.875 -5.693 -8.138 328 HA GLN 49 HA GLN 49 9.223 -4.002 -7.613 329 HB2 GLN 49 HB2 GLN 49 9.476 -5.015 -9.832 330 HB3 GLN 49 HB3 GLN 49 7.879 -4.445 -10.290 331 HG2 GLN 49 HG2 GLN 49 8.644 -2.134 -10.097 332 HG3 GLN 49 HG3 GLN 49 10.245 -2.704 -9.630 333 HE21 GLN 49 HE21 GLN 49 10.181 -4.943 -11.493 334 HE22 GLN 49 HE22 GLN 49 10.430 -4.266 -13.063 335 H ALA 50 H ALA 50 8.816 -1.820 -7.468 336 HA ALA 50 HA ALA 50 6.088 -1.138 -6.791 337 HB1 ALA 50 HB1 ALA 50 7.043 0.966 -6.005 338 HB2 ALA 50 HB2 ALA 50 8.600 0.531 -6.711 339 HB3 ALA 50 HB3 ALA 50 7.945 -0.411 -5.372 340 H ALA 51 H ALA 51 4.950 0.638 -7.654 341 HA ALA 51 HA ALA 51 5.357 0.974 -10.510 342 HB1 ALA 51 HB1 ALA 51 3.145 2.010 -10.481 343 HB2 ALA 51 HB2 ALA 51 3.125 1.914 -8.720 344 HB3 ALA 51 HB3 ALA 51 3.130 0.437 -9.683 345 H ALA 52 H ALA 52 4.888 3.202 -11.411 346 HA ALA 52 HA ALA 52 6.869 4.994 -10.463 347 HB1 ALA 52 HB1 ALA 52 6.129 6.461 -12.257 348 HB2 ALA 52 HB2 ALA 52 4.683 5.478 -12.484 349 HB3 ALA 52 HB3 ALA 52 6.273 4.801 -12.833 350 H LEU 53 H LEU 53 6.597 5.973 -8.568 351 HA LEU 53 HA LEU 53 4.046 7.359 -8.072 352 HB2 LEU 53 HB2 LEU 53 4.417 5.388 -6.622 353 HB3 LEU 53 HB3 LEU 53 5.915 6.092 -6.064 354 HG LEU 53 HG LEU 53 3.929 6.221 -4.496 355 HD11 LEU 53 HD11 LEU 53 5.906 7.549 -4.142 356 HD12 LEU 53 HD12 LEU 53 4.456 8.458 -3.724 357 HD13 LEU 53 HD13 LEU 53 5.297 8.786 -5.241 358 HD21 LEU 53 HD21 LEU 53 3.060 8.336 -6.450 359 HD22 LEU 53 HD22 LEU 53 2.385 8.088 -4.840 360 HD23 LEU 53 HD23 LEU 53 2.208 6.837 -6.073 361 H ASN 54 H ASN 54 4.434 9.435 -8.502 362 HA ASN 54 HA ASN 54 6.479 10.796 -6.947 363 HB2 ASN 54 HB2 ASN 54 7.642 10.319 -9.051 364 HB3 ASN 54 HB3 ASN 54 6.317 11.031 -9.965 365 HD21 ASN 54 HD21 ASN 54 6.088 13.259 -10.019 366 HD22 ASN 54 HD22 ASN 54 7.344 14.333 -9.508 367 H GLY 55 H GLY 55 5.001 11.934 -5.798 368 HA2 GLY 55 HA2 GLY 55 3.834 14.228 -6.888 369 HA3 GLY 55 HA3 GLY 55 2.595 12.983 -6.832 370 H SER 56 H SER 56 2.084 15.148 -5.402 371 HA SER 56 HA SER 56 2.839 14.558 -2.638 372 HB2 SER 56 HB2 SER 56 2.976 16.914 -3.446 373 HB3 SER 56 HB3 SER 56 1.235 16.887 -3.725 374 HG SER 56 HG SER 56 2.308 17.643 -1.569 375 H MET 57 H MET 57 1.629 12.972 -1.816 376 HA MET 57 HA MET 57 -1.252 13.288 -1.766 377 HB2 MET 57 HB2 MET 57 -1.661 10.969 -2.564 378 HB3 MET 57 HB3 MET 57 -1.018 12.029 -3.807 379 HG2 MET 57 HG2 MET 57 1.218 11.069 -3.425 380 HG3 MET 57 HG3 MET 57 0.510 9.960 -2.251 381 HE1 MET 57 HE1 MET 57 -0.501 9.934 -6.760 382 HE2 MET 57 HE2 MET 57 0.610 11.076 -6.003 383 HE3 MET 57 HE3 MET 57 -1.117 11.168 -5.662 384 H SER 58 H SER 58 -2.223 11.373 -0.455 385 HA SER 58 HA SER 58 -0.590 11.182 1.949 386 HB2 SER 58 HB2 SER 58 -3.496 10.470 1.485 387 HB3 SER 58 HB3 SER 58 -2.676 10.486 3.048 388 HG SER 58 HG SER 58 -2.245 12.745 2.639 389 H VAL 59 H VAL 59 -0.757 9.100 3.217 390 HA VAL 59 HA VAL 59 0.484 7.014 1.882 391 HB VAL 59 HB VAL 59 -1.164 6.908 4.409 392 HG11 VAL 59 HG11 VAL 59 0.038 4.879 4.963 393 HG12 VAL 59 HG12 VAL 59 0.910 4.952 3.433 394 HG13 VAL 59 HG13 VAL 59 -0.831 4.670 3.442 395 HG21 VAL 59 HG21 VAL 59 1.810 7.211 4.005 396 HG22 VAL 59 HG22 VAL 59 0.975 7.121 5.556 397 HG23 VAL 59 HG23 VAL 59 0.701 8.495 4.484 398 H GLU 60 H GLU 60 -2.945 7.315 2.734 399 HA GLU 60 HA GLU 60 -3.824 4.846 1.835 400 HB2 GLU 60 HB2 GLU 60 -5.211 7.518 1.947 401 HB3 GLU 60 HB3 GLU 60 -6.045 6.043 1.492 402 HG2 GLU 60 HG2 GLU 60 -6.461 6.521 3.808 403 HG3 GLU 60 HG3 GLU 60 -5.467 5.072 3.683 404 H GLN 61 H GLN 61 -3.129 7.743 -0.019 405 HA GLN 61 HA GLN 61 -4.374 6.630 -2.403 406 HB2 GLN 61 HB2 GLN 61 -2.907 9.244 -1.999 407 HB3 GLN 61 HB3 GLN 61 -3.778 8.777 -3.452 408 HG2 GLN 61 HG2 GLN 61 -4.995 9.169 -0.726 409 HG3 GLN 61 HG3 GLN 61 -5.063 10.318 -2.059 410 HE21 GLN 61 HE21 GLN 61 -5.425 8.267 -4.081 411 HE22 GLN 61 HE22 GLN 61 -7.049 7.703 -3.916 412 H GLY 62 H GLY 62 -1.165 7.475 -1.189 413 HA2 GLY 62 HA2 GLY 62 0.259 7.039 -3.573 414 HA3 GLY 62 HA3 GLY 62 0.939 6.995 -1.954 415 H LEU 63 H LEU 63 -0.311 4.871 -0.816 416 HA LEU 63 HA LEU 63 1.244 2.747 -1.766 417 HB2 LEU 63 HB2 LEU 63 -0.973 2.985 0.208 418 HB3 LEU 63 HB3 LEU 63 -0.455 1.391 -0.278 419 HG LEU 63 HG LEU 63 0.610 2.031 1.786 420 HD11 LEU 63 HD11 LEU 63 2.606 2.120 -0.471 421 HD12 LEU 63 HD12 LEU 63 1.885 0.658 0.198 422 HD13 LEU 63 HD13 LEU 63 2.927 1.663 1.200 423 HD21 LEU 63 HD21 LEU 63 0.507 4.465 1.456 424 HD22 LEU 63 HD22 LEU 63 1.810 4.340 0.273 425 HD23 LEU 63 HD23 LEU 63 2.104 3.915 1.958 426 H ARG 64 H ARG 64 -2.079 3.631 -2.429 427 HA ARG 64 HA ARG 64 -2.977 1.230 -3.516 428 HB2 ARG 64 HB2 ARG 64 -3.731 4.084 -4.122 429 HB3 ARG 64 HB3 ARG 64 -4.542 2.715 -4.873 430 HG2 ARG 64 HG2 ARG 64 -5.168 1.892 -2.644 431 HG3 ARG 64 HG3 ARG 64 -4.401 3.310 -1.927 432 HD2 ARG 64 HD2 ARG 64 -5.947 4.766 -3.117 433 HD3 ARG 64 HD3 ARG 64 -6.690 3.365 -3.886 434 HE ARG 64 HE ARG 64 -6.729 3.726 -0.962 435 HH11 ARG 64 HH11 ARG 64 -8.373 3.104 -3.996 436 HH12 ARG 64 HH12 ARG 64 -9.916 2.838 -3.247 437 HH21 ARG 64 HH21 ARG 64 -8.760 3.367 0.016 438 HH22 ARG 64 HH22 ARG 64 -10.132 2.989 -0.974 439 H ARG 65 H ARG 65 -1.453 3.987 -5.149 440 HA ARG 65 HA ARG 65 -1.367 2.604 -7.666 441 HB2 ARG 65 HB2 ARG 65 -0.201 5.207 -6.716 442 HB3 ARG 65 HB3 ARG 65 0.050 4.588 -8.340 443 HG2 ARG 65 HG2 ARG 65 -2.369 4.600 -8.711 444 HG3 ARG 65 HG3 ARG 65 -2.603 5.253 -7.087 445 HD2 ARG 65 HD2 ARG 65 -2.664 6.983 -8.847 446 HD3 ARG 65 HD3 ARG 65 -1.387 7.245 -7.662 447 HE ARG 65 HE ARG 65 -0.291 5.798 -9.777 448 HH11 ARG 65 HH11 ARG 65 -1.666 8.962 -9.211 449 HH12 ARG 65 HH12 ARG 65 -0.712 9.739 -10.432 450 HH21 ARG 65 HH21 ARG 65 0.968 6.812 -11.389 451 HH22 ARG 65 HH22 ARG 65 0.775 8.513 -11.684 452 H LEU 66 H LEU 66 0.838 3.242 -5.031 453 HA LEU 66 HA LEU 66 3.225 2.740 -6.467 454 HB2 LEU 66 HB2 LEU 66 3.145 4.155 -4.500 455 HB3 LEU 66 HB3 LEU 66 2.660 2.797 -3.510 456 HG LEU 66 HG LEU 66 4.847 1.761 -3.805 457 HD11 LEU 66 HD11 LEU 66 6.649 2.900 -4.953 458 HD12 LEU 66 HD12 LEU 66 5.553 4.196 -5.424 459 HD13 LEU 66 HD13 LEU 66 5.323 2.571 -6.066 460 HD21 LEU 66 HD21 LEU 66 4.524 3.312 -1.958 461 HD22 LEU 66 HD22 LEU 66 5.011 4.658 -2.989 462 HD23 LEU 66 HD23 LEU 66 6.176 3.401 -2.569 463 H ILE 67 H ILE 67 1.143 0.609 -4.527 464 HA ILE 67 HA ILE 67 3.241 -1.353 -4.291 465 HB ILE 67 HB ILE 67 0.337 -1.466 -3.492 466 HG12 ILE 67 HG12 ILE 67 2.901 -1.241 -1.908 467 HG13 ILE 67 HG13 ILE 67 1.680 0.009 -2.105 468 HG21 ILE 67 HG21 ILE 67 2.486 -3.530 -3.016 469 HG22 ILE 67 HG22 ILE 67 1.098 -3.706 -4.089 470 HG23 ILE 67 HG23 ILE 67 0.853 -3.560 -2.349 471 HD11 ILE 67 HD11 ILE 67 0.130 -1.180 -0.777 472 HD12 ILE 67 HD12 ILE 67 1.667 -1.214 0.087 473 HD13 ILE 67 HD13 ILE 67 1.122 -2.635 -0.801 474 H GLY 68 H GLY 68 -0.028 -1.561 -5.815 475 HA2 GLY 68 HA2 GLY 68 1.073 -3.938 -7.169 476 HA3 GLY 68 HA3 GLY 68 -0.580 -3.820 -6.606 477 H GLY 69 H GLY 69 -1.637 -1.649 -7.645 478 HA2 GLY 69 HA2 GLY 69 -2.499 -0.858 -9.666 479 HA3 GLY 69 HA3 GLY 69 -1.190 -1.679 -10.516 480 H ASN 70 H ASN 70 -1.951 -4.048 -8.733 481 HA ASN 70 HA ASN 70 -4.050 -5.163 -10.449 482 HB2 ASN 70 HB2 ASN 70 -2.154 -6.542 -8.516 483 HB3 ASN 70 HB3 ASN 70 -3.286 -7.349 -9.591 484 HD21 ASN 70 HD21 ASN 70 -0.413 -7.625 -9.397 485 HD22 ASN 70 HD22 ASN 70 0.218 -7.242 -10.963 486 HA PRO 71 HA PRO 71 -6.942 -5.256 -7.051 487 HB2 PRO 71 HB2 PRO 71 -7.527 -8.110 -7.475 488 HB3 PRO 71 HB3 PRO 71 -8.590 -6.711 -7.653 489 HG2 PRO 71 HG2 PRO 71 -7.699 -8.092 -9.780 490 HG3 PRO 71 HG3 PRO 71 -7.951 -6.338 -9.839 491 HD2 PRO 71 HD2 PRO 71 -5.404 -7.876 -9.529 492 HD3 PRO 71 HD3 PRO 71 -5.733 -6.429 -10.504 493 H VAL 72 H VAL 72 -5.499 -5.047 -5.373 494 HA VAL 72 HA VAL 72 -5.321 -7.318 -3.596 495 HB VAL 72 HB VAL 72 -3.207 -7.410 -4.935 496 HG11 VAL 72 HG11 VAL 72 -2.648 -4.739 -3.665 497 HG12 VAL 72 HG12 VAL 72 -2.913 -5.050 -5.381 498 HG13 VAL 72 HG13 VAL 72 -1.488 -5.707 -4.574 499 HG21 VAL 72 HG21 VAL 72 -1.682 -7.589 -3.023 500 HG22 VAL 72 HG22 VAL 72 -3.250 -8.324 -2.688 501 HG23 VAL 72 HG23 VAL 72 -2.857 -6.742 -2.015 502 H ALA 73 H ALA 73 -4.690 -6.561 -1.380 503 HA ALA 73 HA ALA 73 -5.411 -3.723 -1.076 504 HB1 ALA 73 HB1 ALA 73 -6.194 -5.976 0.758 505 HB2 ALA 73 HB2 ALA 73 -7.252 -5.221 -0.435 506 HB3 ALA 73 HB3 ALA 73 -6.642 -4.278 0.926 507 H PHE 74 H PHE 74 -4.288 -2.534 0.352 508 HA PHE 74 HA PHE 74 -2.111 -3.882 1.792 509 HB2 PHE 74 HB2 PHE 74 -0.924 -1.789 1.865 510 HB3 PHE 74 HB3 PHE 74 -1.424 -2.084 0.210 511 HD1 PHE 74 HD1 PHE 74 -3.609 -0.899 -0.547 512 HD2 PHE 74 HD2 PHE 74 -1.325 0.268 2.844 513 HE1 PHE 74 HE1 PHE 74 -4.615 1.338 -0.649 514 HE2 PHE 74 HE2 PHE 74 -2.321 2.525 2.743 515 HZ PHE 74 HZ PHE 74 -3.977 3.050 0.996 516 H ARG 75 H ARG 75 -2.174 -4.039 3.916 517 HA ARG 75 HA ARG 75 -4.257 -2.538 5.350 518 HB2 ARG 75 HB2 ARG 75 -4.364 -5.055 5.342 519 HB3 ARG 75 HB3 ARG 75 -2.843 -5.064 6.224 520 HG2 ARG 75 HG2 ARG 75 -3.933 -3.774 8.031 521 HG3 ARG 75 HG3 ARG 75 -5.460 -3.906 7.156 522 HD2 ARG 75 HD2 ARG 75 -3.800 -6.164 8.267 523 HD3 ARG 75 HD3 ARG 75 -5.363 -5.609 8.860 524 HE ARG 75 HE ARG 75 -4.962 -6.881 6.223 525 HH11 ARG 75 HH11 ARG 75 -6.909 -6.298 9.084 526 HH12 ARG 75 HH12 ARG 75 -8.134 -7.440 8.631 527 HH21 ARG 75 HH21 ARG 75 -6.586 -8.359 5.624 528 HH22 ARG 75 HH22 ARG 75 -7.953 -8.602 6.661 529 H LEU 76 H LEU 76 -3.530 -0.879 6.488 530 HA LEU 76 HA LEU 76 -0.721 -0.698 7.172 531 HB2 LEU 76 HB2 LEU 76 -2.990 1.248 7.588 532 HB3 LEU 76 HB3 LEU 76 -1.304 1.583 7.930 533 HG LEU 76 HG LEU 76 -2.425 0.973 5.192 534 HD11 LEU 76 HD11 LEU 76 -3.199 3.119 6.026 535 HD12 LEU 76 HD12 LEU 76 -2.015 3.339 4.739 536 HD13 LEU 76 HD13 LEU 76 -1.543 3.578 6.421 537 HD21 LEU 76 HD21 LEU 76 -0.224 1.708 4.398 538 HD22 LEU 76 HD22 LEU 76 -0.108 0.272 5.417 539 HD23 LEU 76 HD23 LEU 76 0.324 1.853 6.068 540 H GLN 77 H GLN 77 -0.188 -1.912 8.879 541 HA GLN 77 HA GLN 77 -1.866 -2.250 11.173 542 HB2 GLN 77 HB2 GLN 77 1.114 -2.725 10.966 543 HB3 GLN 77 HB3 GLN 77 0.019 -3.410 12.155 544 HG2 GLN 77 HG2 GLN 77 -0.035 -3.986 9.202 545 HG3 GLN 77 HG3 GLN 77 0.680 -5.021 10.433 546 HE21 GLN 77 HE21 GLN 77 -1.441 -4.517 12.370 547 HE22 GLN 77 HE22 GLN 77 -2.826 -5.386 11.805 548 HA PRO 78 HA PRO 78 -0.848 1.660 13.143 549 HB2 PRO 78 HB2 PRO 78 -1.695 0.246 15.599 550 HB3 PRO 78 HB3 PRO 78 -2.307 1.746 14.899 551 HG2 PRO 78 HG2 PRO 78 -3.731 -0.510 14.791 552 HG3 PRO 78 HG3 PRO 78 -3.730 0.647 13.448 553 HD2 PRO 78 HD2 PRO 78 -2.279 -1.957 13.710 554 HD3 PRO 78 HD3 PRO 78 -3.088 -1.252 12.294 555 H GLN 79 H GLN 79 0.403 -1.425 13.836 556 HA GLN 79 HA GLN 79 2.322 -0.772 15.815 557 HB2 GLN 79 HB2 GLN 79 2.407 -2.956 13.725 558 HB3 GLN 79 HB3 GLN 79 3.335 -2.907 15.219 559 HG2 GLN 79 HG2 GLN 79 1.435 -3.278 16.540 560 HG3 GLN 79 HG3 GLN 79 0.337 -2.908 15.211 561 HE21 GLN 79 HE21 GLN 79 2.445 -5.280 16.614 562 HE22 GLN 79 HE22 GLN 79 1.912 -6.616 15.655 563 H GLY 80 H GLY 80 2.107 -0.214 12.435 564 HA2 GLY 80 HA2 GLY 80 3.579 1.407 11.427 565 HA3 GLY 80 HA3 GLY 80 4.877 0.787 12.436 566 H GLN 81 H GLN 81 2.596 -1.198 10.647 567 HA GLN 81 HA GLN 81 4.791 -2.016 8.868 568 HB2 GLN 81 HB2 GLN 81 2.832 -3.794 10.320 569 HB3 GLN 81 HB3 GLN 81 3.831 -4.341 8.985 570 HG2 GLN 81 HG2 GLN 81 5.839 -3.820 10.278 571 HG3 GLN 81 HG3 GLN 81 4.826 -3.282 11.619 572 HE21 GLN 81 HE21 GLN 81 6.797 -5.463 11.423 573 HE22 GLN 81 HE22 GLN 81 5.952 -6.893 11.901 574 H ILE 82 H ILE 82 4.280 -2.354 6.780 575 HA ILE 82 HA ILE 82 1.476 -1.971 5.983 576 HB ILE 82 HB ILE 82 3.948 -1.913 4.234 577 HG12 ILE 82 HG12 ILE 82 2.325 0.407 5.307 578 HG13 ILE 82 HG13 ILE 82 3.915 -0.067 5.897 579 HG21 ILE 82 HG21 ILE 82 1.094 -1.097 3.694 580 HG22 ILE 82 HG22 ILE 82 1.925 -2.501 3.024 581 HG23 ILE 82 HG23 ILE 82 2.447 -0.874 2.585 582 HD11 ILE 82 HD11 ILE 82 4.063 1.827 4.393 583 HD12 ILE 82 HD12 ILE 82 3.273 0.898 3.121 584 HD13 ILE 82 HD13 ILE 82 4.868 0.418 3.702 585 H VAL 83 H VAL 83 0.558 -3.951 6.131 586 HA VAL 83 HA VAL 83 1.961 -6.226 4.886 587 HB VAL 83 HB VAL 83 -0.292 -6.323 6.905 588 HG11 VAL 83 HG11 VAL 83 -0.215 -8.280 5.476 589 HG12 VAL 83 HG12 VAL 83 0.324 -8.694 7.103 590 HG13 VAL 83 HG13 VAL 83 1.505 -8.484 5.812 591 HG21 VAL 83 HG21 VAL 83 1.405 -7.018 8.530 592 HG22 VAL 83 HG22 VAL 83 1.713 -5.390 7.928 593 HG23 VAL 83 HG23 VAL 83 2.664 -6.748 7.328 594 H LEU 84 H LEU 84 1.062 -7.136 3.121 595 HA LEU 84 HA LEU 84 -1.322 -5.913 2.050 596 HB2 LEU 84 HB2 LEU 84 0.673 -7.871 0.976 597 HB3 LEU 84 HB3 LEU 84 -0.857 -7.627 0.155 598 HG LEU 84 HG LEU 84 -0.283 -5.176 0.013 599 HD11 LEU 84 HD11 LEU 84 2.070 -4.551 0.236 600 HD12 LEU 84 HD12 LEU 84 2.437 -6.158 0.862 601 HD13 LEU 84 HD13 LEU 84 1.387 -5.073 1.775 602 HD21 LEU 84 HD21 LEU 84 1.542 -7.144 -1.356 603 HD22 LEU 84 HD22 LEU 84 1.258 -5.481 -1.869 604 HD23 LEU 84 HD23 LEU 84 -0.062 -6.648 -1.895 605 H SER 85 H SER 85 -3.229 -6.914 1.550 606 HA SER 85 HA SER 85 -3.672 -9.596 2.669 607 HB2 SER 85 HB2 SER 85 -5.519 -7.221 3.046 608 HB3 SER 85 HB3 SER 85 -5.771 -8.851 3.667 609 HG SER 85 HG SER 85 -3.388 -8.082 4.491 610 H ARG 86 H ARG 86 -5.631 -10.638 1.757 611 HA ARG 86 HA ARG 86 -5.998 -9.753 -1.014 612 HB2 ARG 86 HB2 ARG 86 -5.175 -12.059 -0.687 613 HB3 ARG 86 HB3 ARG 86 -6.639 -12.440 0.215 614 HG2 ARG 86 HG2 ARG 86 -7.988 -11.988 -1.760 615 HG3 ARG 86 HG3 ARG 86 -6.533 -11.578 -2.667 616 HD2 ARG 86 HD2 ARG 86 -5.700 -13.852 -2.359 617 HD3 ARG 86 HD3 ARG 86 -7.148 -14.261 -1.441 618 HE ARG 86 HE ARG 86 -8.231 -13.428 -3.722 619 HH11 ARG 86 HH11 ARG 86 -5.505 -15.552 -3.182 620 HH12 ARG 86 HH12 ARG 86 -5.784 -16.489 -4.612 621 HH21 ARG 86 HH21 ARG 86 -8.603 -14.646 -5.614 622 HH22 ARG 86 HH22 ARG 86 -7.549 -15.970 -6.004 623 H LEU 87 H LEU 87 -7.631 -8.370 -1.095 624 HA LEU 87 HA LEU 87 -10.110 -8.945 0.344 625 HB2 LEU 87 HB2 LEU 87 -8.863 -6.535 -0.847 626 HB3 LEU 87 HB3 LEU 87 -10.611 -6.618 -0.934 627 HG LEU 87 HG LEU 87 -9.714 -5.348 1.031 628 HD11 LEU 87 HD11 LEU 87 -11.978 -6.323 0.987 629 HD12 LEU 87 HD12 LEU 87 -11.292 -6.257 2.610 630 HD13 LEU 87 HD13 LEU 87 -11.336 -7.786 1.735 631 HD21 LEU 87 HD21 LEU 87 -7.788 -6.772 1.526 632 HD22 LEU 87 HD22 LEU 87 -8.873 -8.085 1.979 633 HD23 LEU 87 HD23 LEU 87 -8.838 -6.599 2.929 634 HA PRO 88 HA PRO 88 -12.014 -10.479 -3.362 635 HB2 PRO 88 HB2 PRO 88 -14.581 -10.466 -2.544 636 HB3 PRO 88 HB3 PRO 88 -13.394 -11.560 -1.836 637 HG2 PRO 88 HG2 PRO 88 -14.418 -8.947 -0.791 638 HG3 PRO 88 HG3 PRO 88 -14.192 -10.483 0.068 639 HD2 PRO 88 HD2 PRO 88 -12.400 -8.435 0.166 640 HD3 PRO 88 HD3 PRO 88 -11.942 -10.139 0.343 641 H THR 89 H THR 89 -14.673 -9.651 -4.102 642 HA THR 89 HA THR 89 -14.525 -7.735 -5.914 643 HB THR 89 HB THR 89 -16.860 -7.821 -4.005 644 HG1 THR 89 HG1 THR 89 -17.221 -9.801 -4.651 645 HG21 THR 89 HG21 THR 89 -18.170 -7.387 -6.032 646 HG22 THR 89 HG22 THR 89 -16.687 -7.337 -6.981 647 HG23 THR 89 HG23 THR 89 -16.987 -6.110 -5.749 648 H ALA 90 H ALA 90 -13.678 -5.759 -5.917 649 HA ALA 90 HA ALA 90 -13.848 -4.115 -3.497 650 HB1 ALA 90 HB1 ALA 90 -12.060 -2.779 -4.485 651 HB2 ALA 90 HB2 ALA 90 -12.119 -3.767 -5.945 652 HB3 ALA 90 HB3 ALA 90 -11.610 -4.483 -4.416 653 H ASN 91 H ASN 91 -13.805 -1.606 -4.258 654 HA ASN 91 HA ASN 91 -16.409 -1.079 -5.118 655 HB2 ASN 91 HB2 ASN 91 -15.660 1.301 -5.344 656 HB3 ASN 91 HB3 ASN 91 -15.270 0.568 -3.793 657 HD21 ASN 91 HD21 ASN 91 -13.149 0.238 -3.237 658 HD22 ASN 91 HD22 ASN 91 -11.822 0.883 -4.139 659 H GLY 92 H GLY 92 -13.373 -1.158 -6.923 660 HA2 GLY 92 HA2 GLY 92 -14.473 -0.217 -9.376 661 HA3 GLY 92 HA3 GLY 92 -12.948 -1.065 -9.181 662 H ASP 93 H ASP 93 -14.886 -3.124 -7.737 663 HA ASP 93 HA ASP 93 -15.501 -4.605 -10.200 664 HB2 ASP 93 HB2 ASP 93 -15.328 -5.569 -7.335 665 HB3 ASP 93 HB3 ASP 93 -15.696 -6.584 -8.724 666 H GLY 94 H GLY 94 -16.975 -2.540 -8.171 667 HA2 GLY 94 HA2 GLY 94 -19.285 -2.043 -8.206 668 HA3 GLY 94 HA3 GLY 94 -19.612 -3.704 -8.675 669 H GLY 95 H GLY 95 -17.374 -3.600 -6.179 670 HA2 GLY 95 HA2 GLY 95 -19.489 -4.152 -4.201 671 HA3 GLY 95 HA3 GLY 95 -17.850 -4.785 -4.130 672 H ALA 96 H ALA 96 -19.458 -1.618 -4.337 673 HA ALA 96 HA ALA 96 -17.354 -0.468 -2.684 674 HB1 ALA 96 HB1 ALA 96 -18.343 1.684 -3.243 675 HB2 ALA 96 HB2 ALA 96 -19.688 0.873 -4.045 676 HB3 ALA 96 HB3 ALA 96 -18.058 0.736 -4.702 677 H LEU 97 H LEU 97 -17.636 -0.940 -0.597 678 HA LEU 97 HA LEU 97 -18.502 -0.975 1.511 679 HB2 LEU 97 HB2 LEU 97 -20.222 1.230 0.350 680 HB3 LEU 97 HB3 LEU 97 -20.192 0.803 2.047 681 HG LEU 97 HG LEU 97 -17.689 1.331 1.974 682 HD11 LEU 97 HD11 LEU 97 -16.920 2.821 0.249 683 HD12 LEU 97 HD12 LEU 97 -18.493 2.775 -0.544 684 HD13 LEU 97 HD13 LEU 97 -17.491 1.325 -0.487 685 HD21 LEU 97 HD21 LEU 97 -19.725 3.510 1.559 686 HD22 LEU 97 HD22 LEU 97 -18.111 3.742 2.228 687 HD23 LEU 97 HD23 LEU 97 -19.290 2.751 3.090 688 H ALA 98 H ALA 98 -19.373 -3.099 0.277 689 HA ALA 98 HA ALA 98 -22.180 -3.461 0.371 690 HB1 ALA 98 HB1 ALA 98 -19.961 -5.443 0.899 691 HB2 ALA 98 HB2 ALA 98 -20.723 -5.120 -0.659 692 HB3 ALA 98 HB3 ALA 98 -21.657 -5.856 0.643 693 H LEU 99 H LEU 99 -19.769 -2.968 2.679 694 HA LEU 99 HA LEU 99 -21.746 -2.859 4.772 695 HB2 LEU 99 HB2 LEU 99 -20.407 -5.151 4.675 696 HB3 LEU 99 HB3 LEU 99 -19.168 -4.201 5.465 697 HG LEU 99 HG LEU 99 -20.474 -5.456 7.091 698 HD11 LEU 99 HD11 LEU 99 -21.035 -2.501 7.242 699 HD12 LEU 99 HD12 LEU 99 -19.575 -3.316 7.800 700 HD13 LEU 99 HD13 LEU 99 -21.119 -3.639 8.586 701 HD21 LEU 99 HD21 LEU 99 -22.851 -3.888 6.108 702 HD22 LEU 99 HD22 LEU 99 -22.830 -5.024 7.455 703 HD23 LEU 99 HD23 LEU 99 -22.557 -5.601 5.811 704 H ASP 100 H ASP 100 -18.179 -2.810 4.684 705 HA ASP 100 HA ASP 100 -18.309 -0.156 5.943 706 HB2 ASP 100 HB2 ASP 100 -17.306 -1.709 7.449 707 HB3 ASP 100 HB3 ASP 100 -16.252 -2.338 6.189 708 H SER 101 H SER 101 -15.728 -1.905 4.262 709 HA SER 101 HA SER 101 -15.203 0.513 2.698 710 HB2 SER 101 HB2 SER 101 -13.453 -1.890 3.255 711 HB3 SER 101 HB3 SER 101 -12.978 -0.497 2.281 712 HG SER 101 HG SER 101 -13.770 -0.401 5.022 713 H LEU 102 H LEU 102 -14.700 -2.955 2.076 714 HA LEU 102 HA LEU 102 -15.999 -2.571 -0.543 715 HB2 LEU 102 HB2 LEU 102 -14.039 -4.751 0.191 716 HB3 LEU 102 HB3 LEU 102 -14.626 -4.344 -1.408 717 HG LEU 102 HG LEU 102 -12.816 -2.612 0.279 718 HD11 LEU 102 HD11 LEU 102 -11.100 -3.177 -1.360 719 HD12 LEU 102 HD12 LEU 102 -12.227 -4.264 -2.172 720 HD13 LEU 102 HD13 LEU 102 -11.691 -4.616 -0.530 721 HD21 LEU 102 HD21 LEU 102 -13.799 -2.266 -2.550 722 HD22 LEU 102 HD22 LEU 102 -12.592 -1.259 -1.753 723 HD23 LEU 102 HD23 LEU 102 -14.253 -1.281 -1.160 724 H THR 103 H THR 103 -15.166 -5.403 1.390 725 HA THR 103 HA THR 103 -18.019 -5.982 1.760 726 HB THR 103 HB THR 103 -15.949 -8.145 1.353 727 HG1 THR 103 HG1 THR 103 -17.608 -6.852 -0.582 728 HG21 THR 103 HG21 THR 103 -17.915 -9.529 0.875 729 HG22 THR 103 HG22 THR 103 -18.963 -8.137 1.141 730 HG23 THR 103 HG23 THR 103 -18.023 -8.800 2.478 731 H VAL 104 H VAL 104 -14.713 -6.596 2.788 732 HA VAL 104 HA VAL 104 -15.437 -7.495 5.418 733 HB VAL 104 HB VAL 104 -12.724 -6.672 4.358 734 HG11 VAL 104 HG11 VAL 104 -12.819 -6.806 6.792 735 HG12 VAL 104 HG12 VAL 104 -11.829 -8.103 6.122 736 HG13 VAL 104 HG13 VAL 104 -13.467 -8.442 6.682 737 HG21 VAL 104 HG21 VAL 104 -12.351 -9.046 3.900 738 HG22 VAL 104 HG22 VAL 104 -13.696 -8.409 2.953 739 HG23 VAL 104 HG23 VAL 104 -14.011 -9.399 4.378 740 H LEU 105 H LEU 105 -14.943 -6.383 7.381 741 HA LEU 105 HA LEU 105 -15.201 -3.496 7.171 742 HB2 LEU 105 HB2 LEU 105 -15.309 -5.360 9.541 743 HB3 LEU 105 HB3 LEU 105 -15.433 -3.619 9.674 744 HG LEU 105 HG LEU 105 -17.471 -3.797 8.145 745 HD11 LEU 105 HD11 LEU 105 -17.264 -6.693 8.951 746 HD12 LEU 105 HD12 LEU 105 -17.080 -6.057 7.317 747 HD13 LEU 105 HD13 LEU 105 -18.635 -5.938 8.139 748 HD21 LEU 105 HD21 LEU 105 -18.935 -4.393 10.020 749 HD22 LEU 105 HD22 LEU 105 -17.631 -3.313 10.514 750 HD23 LEU 105 HD23 LEU 105 -17.541 -5.033 10.892 751 H GLY 106 H GLY 106 -13.590 -2.087 7.501 752 HA2 GLY 106 HA2 GLY 106 -11.642 -1.277 8.555 753 HA3 GLY 106 HA3 GLY 106 -11.275 -2.911 9.085 754 H ALA 107 H ALA 107 -11.101 -4.412 6.979 755 HA ALA 107 HA ALA 107 -8.852 -3.303 5.512 756 HB1 ALA 107 HB1 ALA 107 -10.019 -6.086 5.449 757 HB2 ALA 107 HB2 ALA 107 -8.688 -5.557 6.479 758 HB3 ALA 107 HB3 ALA 107 -8.492 -5.576 4.726 759 H GLY 108 H GLY 108 -9.214 -2.229 3.685 760 HA2 GLY 108 HA2 GLY 108 -10.703 -3.391 1.556 761 HA3 GLY 108 HA3 GLY 108 -11.602 -2.084 2.303 762 H GLY 109 H GLY 109 -8.172 -1.778 2.334 763 HA2 GLY 109 HA2 GLY 109 -8.357 0.399 0.412 764 HA3 GLY 109 HA3 GLY 109 -6.954 -0.013 1.392 765 H ASN 110 H ASN 110 -8.533 -0.404 -1.618 766 HA ASN 110 HA ASN 110 -6.888 -2.660 -2.410 767 HB2 ASN 110 HB2 ASN 110 -8.184 -2.600 -4.510 768 HB3 ASN 110 HB3 ASN 110 -9.226 -2.682 -3.094 769 HD21 ASN 110 HD21 ASN 110 -8.233 -0.809 -5.812 770 HD22 ASN 110 HD22 ASN 110 -9.392 0.463 -5.631 771 H ASN 111 H ASN 111 -5.240 -2.615 -3.806 772 HA ASN 111 HA ASN 111 -4.044 -0.031 -4.341 773 HB2 ASN 111 HB2 ASN 111 -3.010 -2.808 -4.953 774 HB3 ASN 111 HB3 ASN 111 -2.084 -1.315 -5.053 775 HD21 ASN 111 HD21 ASN 111 -1.393 -0.315 -3.185 776 HD22 ASN 111 HD22 ASN 111 -1.414 -1.124 -1.662 777 H ALA 112 H ALA 112 -6.271 -0.085 -5.767 778 HA ALA 112 HA ALA 112 -5.329 -0.423 -8.522 779 HB1 ALA 112 HB1 ALA 112 -7.479 -1.333 -9.220 780 HB2 ALA 112 HB2 ALA 112 -8.056 -1.286 -7.555 781 HB3 ALA 112 HB3 ALA 112 -6.737 -2.368 -8.001 Start of MODEL 13 1 H1 SER 6 H1 SER 6 -13.866 22.285 4.805 2 H2 SER 6 H2 SER 6 -13.960 23.313 6.142 3 H3 SER 6 H3 SER 6 -14.110 21.641 6.348 4 HA SER 6 HA SER 6 -11.689 23.033 5.389 5 HB2 SER 6 HB2 SER 6 -12.212 21.708 8.063 6 HB3 SER 6 HB3 SER 6 -10.743 22.551 7.576 7 HG SER 6 HG SER 6 -12.850 23.588 8.750 8 H MET 7 H MET 7 -10.071 21.702 4.673 9 HA MET 7 HA MET 7 -10.112 18.869 5.066 10 HB2 MET 7 HB2 MET 7 -11.906 19.096 3.388 11 HB3 MET 7 HB3 MET 7 -10.787 19.919 2.312 12 HG2 MET 7 HG2 MET 7 -11.064 17.610 1.660 13 HG3 MET 7 HG3 MET 7 -9.413 17.911 2.195 14 HE1 MET 7 HE1 MET 7 -10.686 15.019 1.834 15 HE2 MET 7 HE2 MET 7 -10.069 14.210 3.273 16 HE3 MET 7 HE3 MET 7 -9.026 15.296 2.358 17 H ALA 8 H ALA 8 -8.931 21.602 3.173 18 HA ALA 8 HA ALA 8 -6.671 20.349 2.068 19 HB1 ALA 8 HB1 ALA 8 -5.885 22.580 1.549 20 HB2 ALA 8 HB2 ALA 8 -7.047 23.276 2.677 21 HB3 ALA 8 HB3 ALA 8 -7.615 22.452 1.225 22 H GLN 9 H GLN 9 -7.197 21.836 5.192 23 HA GLN 9 HA GLN 9 -4.349 21.529 5.822 24 HB2 GLN 9 HB2 GLN 9 -6.554 22.942 7.329 25 HB3 GLN 9 HB3 GLN 9 -4.893 22.809 7.886 26 HG2 GLN 9 HG2 GLN 9 -5.783 24.171 5.353 27 HG3 GLN 9 HG3 GLN 9 -5.351 24.979 6.861 28 HE21 GLN 9 HE21 GLN 9 -4.178 23.305 4.065 29 HE22 GLN 9 HE22 GLN 9 -2.501 23.650 4.308 30 H ALA 10 H ALA 10 -6.900 19.605 5.797 31 HA ALA 10 HA ALA 10 -6.392 18.368 8.407 32 HB1 ALA 10 HB1 ALA 10 -8.739 18.791 7.823 33 HB2 ALA 10 HB2 ALA 10 -8.412 17.069 8.008 34 HB3 ALA 10 HB3 ALA 10 -8.561 17.771 6.397 35 H ALA 11 H ALA 11 -6.679 17.497 4.971 36 HA ALA 11 HA ALA 11 -5.386 14.949 5.433 37 HB1 ALA 11 HB1 ALA 11 -7.211 15.120 3.810 38 HB2 ALA 11 HB2 ALA 11 -5.718 14.581 3.043 39 HB3 ALA 11 HB3 ALA 11 -6.254 16.250 2.851 40 H GLN 12 H GLN 12 -3.292 15.277 6.014 41 HA GLN 12 HA GLN 12 -1.645 17.205 4.650 42 HB2 GLN 12 HB2 GLN 12 -1.358 16.726 7.059 43 HB3 GLN 12 HB3 GLN 12 -0.868 15.085 6.661 44 HG2 GLN 12 HG2 GLN 12 1.051 15.982 5.414 45 HG3 GLN 12 HG3 GLN 12 0.569 17.612 5.878 46 HE21 GLN 12 HE21 GLN 12 -0.276 16.723 8.549 47 HE22 GLN 12 HE22 GLN 12 1.185 16.484 9.440 48 H GLN 13 H GLN 13 -1.205 16.719 2.594 49 HA GLN 13 HA GLN 13 -0.439 14.003 1.864 50 HB2 GLN 13 HB2 GLN 13 -0.782 16.480 0.163 51 HB3 GLN 13 HB3 GLN 13 -0.451 14.867 -0.447 52 HG2 GLN 13 HG2 GLN 13 -2.580 14.090 0.495 53 HG3 GLN 13 HG3 GLN 13 -2.914 15.726 1.054 54 HE21 GLN 13 HE21 GLN 13 -1.747 16.933 -1.347 55 HE22 GLN 13 HE22 GLN 13 -2.900 16.683 -2.609 56 H LYS 14 H LYS 14 1.616 13.402 1.333 57 HA LYS 14 HA LYS 14 3.689 15.416 1.898 58 HB2 LYS 14 HB2 LYS 14 4.007 12.416 2.044 59 HB3 LYS 14 HB3 LYS 14 5.088 13.641 2.688 60 HG2 LYS 14 HG2 LYS 14 2.302 13.084 3.690 61 HG3 LYS 14 HG3 LYS 14 3.793 12.509 4.434 62 HD2 LYS 14 HD2 LYS 14 3.138 15.419 4.013 63 HD3 LYS 14 HD3 LYS 14 2.793 14.541 5.502 64 HE2 LYS 14 HE2 LYS 14 5.195 14.025 5.720 65 HE3 LYS 14 HE3 LYS 14 5.512 14.974 4.268 66 HZ1 LYS 14 HZ1 LYS 14 4.737 16.935 5.366 67 HZ2 LYS 14 HZ2 LYS 14 5.899 16.204 6.354 68 HZ3 LYS 14 HZ3 LYS 14 4.254 16.058 6.730 69 H ASN 15 H ASN 15 5.559 15.454 0.586 70 HA ASN 15 HA ASN 15 5.025 14.786 -2.161 71 HB2 ASN 15 HB2 ASN 15 7.309 16.179 -0.772 72 HB3 ASN 15 HB3 ASN 15 7.304 15.856 -2.496 73 HD21 ASN 15 HD21 ASN 15 7.325 18.004 -3.048 74 HD22 ASN 15 HD22 ASN 15 5.952 19.040 -2.835 75 H PHE 16 H PHE 16 5.166 12.644 -2.541 76 HA PHE 16 HA PHE 16 7.559 11.228 -1.604 77 HB2 PHE 16 HB2 PHE 16 4.846 10.276 -2.492 78 HB3 PHE 16 HB3 PHE 16 6.216 9.179 -2.372 79 HD1 PHE 16 HD1 PHE 16 7.367 8.956 -0.159 80 HD2 PHE 16 HD2 PHE 16 3.584 10.825 -0.609 81 HE1 PHE 16 HE1 PHE 16 6.935 8.639 2.248 82 HE2 PHE 16 HE2 PHE 16 3.133 10.512 1.789 83 HZ PHE 16 HZ PHE 16 4.814 9.421 3.224 84 H ASN 17 H ASN 17 8.997 10.350 -2.961 85 HA ASN 17 HA ASN 17 8.452 10.353 -5.841 86 HB2 ASN 17 HB2 ASN 17 10.824 11.657 -4.493 87 HB3 ASN 17 HB3 ASN 17 10.824 11.206 -6.196 88 HD21 ASN 17 HD21 ASN 17 9.587 12.372 -7.645 89 HD22 ASN 17 HD22 ASN 17 8.870 13.892 -7.240 90 H ILE 18 H ILE 18 8.323 8.147 -5.830 91 HA ILE 18 HA ILE 18 10.681 6.663 -4.861 92 HB ILE 18 HB ILE 18 7.939 5.485 -5.297 93 HG12 ILE 18 HG12 ILE 18 7.758 7.280 -3.609 94 HG13 ILE 18 HG13 ILE 18 7.523 5.691 -2.895 95 HG21 ILE 18 HG21 ILE 18 9.791 3.913 -5.243 96 HG22 ILE 18 HG22 ILE 18 8.767 3.718 -3.822 97 HG23 ILE 18 HG23 ILE 18 10.311 4.559 -3.687 98 HD11 ILE 18 HD11 ILE 18 9.816 5.746 -2.049 99 HD12 ILE 18 HD12 ILE 18 8.856 7.103 -1.457 100 HD13 ILE 18 HD13 ILE 18 10.026 7.349 -2.753 101 H ALA 19 H ALA 19 11.941 6.256 -6.582 102 HA ALA 19 HA ALA 19 11.027 5.773 -9.225 103 HB1 ALA 19 HB1 ALA 19 13.317 4.953 -9.623 104 HB2 ALA 19 HB2 ALA 19 13.625 5.004 -7.888 105 HB3 ALA 19 HB3 ALA 19 13.310 6.496 -8.771 106 H ALA 20 H ALA 20 11.202 3.649 -10.360 107 HA ALA 20 HA ALA 20 9.708 1.718 -8.902 108 HB1 ALA 20 HB1 ALA 20 11.061 1.423 -11.581 109 HB2 ALA 20 HB2 ALA 20 9.452 2.095 -11.324 110 HB3 ALA 20 HB3 ALA 20 9.774 0.405 -10.938 111 H GLN 21 H GLN 21 10.699 0.774 -7.266 112 HA GLN 21 HA GLN 21 13.319 -0.499 -7.653 113 HB2 GLN 21 HB2 GLN 21 11.826 0.161 -5.103 114 HB3 GLN 21 HB3 GLN 21 13.452 -0.500 -5.201 115 HG2 GLN 21 HG2 GLN 21 14.279 1.506 -6.202 116 HG3 GLN 21 HG3 GLN 21 12.649 2.156 -6.357 117 HE21 GLN 21 HE21 GLN 21 13.119 3.980 -5.177 118 HE22 GLN 21 HE22 GLN 21 13.383 3.948 -3.471 119 HA PRO 22 HA PRO 22 11.516 -4.635 -6.823 120 HB2 PRO 22 HB2 PRO 22 13.287 -4.841 -4.454 121 HB3 PRO 22 HB3 PRO 22 13.131 -5.935 -5.832 122 HG2 PRO 22 HG2 PRO 22 15.271 -4.347 -5.532 123 HG3 PRO 22 HG3 PRO 22 14.605 -4.727 -7.129 124 HD2 PRO 22 HD2 PRO 22 14.369 -2.228 -5.519 125 HD3 PRO 22 HD3 PRO 22 14.497 -2.432 -7.277 126 H LEU 23 H LEU 23 9.696 -5.095 -5.655 127 HA LEU 23 HA LEU 23 8.437 -3.026 -4.361 128 HB2 LEU 23 HB2 LEU 23 7.668 -5.442 -5.274 129 HB3 LEU 23 HB3 LEU 23 7.547 -5.714 -3.546 130 HG LEU 23 HG LEU 23 6.155 -3.511 -5.069 131 HD11 LEU 23 HD11 LEU 23 5.244 -5.697 -5.607 132 HD12 LEU 23 HD12 LEU 23 4.115 -4.785 -4.604 133 HD13 LEU 23 HD13 LEU 23 5.088 -6.072 -3.890 134 HD21 LEU 23 HD21 LEU 23 6.636 -2.827 -2.800 135 HD22 LEU 23 HD22 LEU 23 5.968 -4.339 -2.177 136 HD23 LEU 23 HD23 LEU 23 4.914 -3.171 -2.972 137 H GLN 24 H GLN 24 10.133 -5.739 -2.792 138 HA GLN 24 HA GLN 24 9.355 -5.086 -0.163 139 HB2 GLN 24 HB2 GLN 24 11.798 -6.551 -1.169 140 HB3 GLN 24 HB3 GLN 24 11.336 -6.449 0.525 141 HG2 GLN 24 HG2 GLN 24 9.234 -7.586 0.024 142 HG3 GLN 24 HG3 GLN 24 9.694 -7.688 -1.674 143 HE21 GLN 24 HE21 GLN 24 9.618 -9.921 -1.687 144 HE22 GLN 24 HE22 GLN 24 10.805 -10.898 -0.897 145 H SER 25 H SER 25 12.310 -4.282 -1.971 146 HA SER 25 HA SER 25 13.390 -2.656 0.105 147 HB2 SER 25 HB2 SER 25 14.092 -2.690 -2.839 148 HB3 SER 25 HB3 SER 25 15.095 -2.076 -1.523 149 HG SER 25 HG SER 25 14.927 -4.306 -0.663 150 H ALA 26 H ALA 26 11.203 -2.157 -2.512 151 HA ALA 26 HA ALA 26 11.381 0.572 -2.998 152 HB1 ALA 26 HB1 ALA 26 8.892 -1.137 -2.921 153 HB2 ALA 26 HB2 ALA 26 10.002 -1.000 -4.293 154 HB3 ALA 26 HB3 ALA 26 9.077 0.406 -3.765 155 H MET 27 H MET 27 9.288 -1.136 -0.712 156 HA MET 27 HA MET 27 8.236 1.338 0.269 157 HB2 MET 27 HB2 MET 27 7.814 -1.433 1.366 158 HB3 MET 27 HB3 MET 27 6.838 -0.008 1.703 159 HG2 MET 27 HG2 MET 27 7.092 -1.487 -0.900 160 HG3 MET 27 HG3 MET 27 5.668 -1.350 0.131 161 HE1 MET 27 HE1 MET 27 4.391 -0.651 -2.271 162 HE2 MET 27 HE2 MET 27 5.977 -0.808 -3.024 163 HE3 MET 27 HE3 MET 27 5.018 0.649 -3.283 164 H LEU 28 H LEU 28 10.950 -0.589 1.060 165 HA LEU 28 HA LEU 28 11.172 0.300 3.762 166 HB2 LEU 28 HB2 LEU 28 13.413 -0.488 1.895 167 HB3 LEU 28 HB3 LEU 28 13.500 -0.363 3.644 168 HG LEU 28 HG LEU 28 11.831 -2.369 2.129 169 HD11 LEU 28 HD11 LEU 28 14.233 -2.797 1.944 170 HD12 LEU 28 HD12 LEU 28 13.436 -4.004 2.953 171 HD13 LEU 28 HD13 LEU 28 14.380 -2.716 3.699 172 HD21 LEU 28 HD21 LEU 28 11.525 -3.385 4.353 173 HD22 LEU 28 HD22 LEU 28 10.807 -1.779 4.239 174 HD23 LEU 28 HD23 LEU 28 12.342 -2.001 5.077 175 H ARG 29 H ARG 29 11.797 1.707 0.661 176 HA ARG 29 HA ARG 29 13.196 3.981 1.786 177 HB2 ARG 29 HB2 ARG 29 12.148 3.393 -0.985 178 HB3 ARG 29 HB3 ARG 29 12.933 4.905 -0.555 179 HG2 ARG 29 HG2 ARG 29 14.247 2.225 -0.202 180 HG3 ARG 29 HG3 ARG 29 14.381 3.179 -1.680 181 HD2 ARG 29 HD2 ARG 29 16.309 3.585 -0.288 182 HD3 ARG 29 HD3 ARG 29 15.318 5.038 -0.354 183 HE ARG 29 HE ARG 29 15.078 3.205 1.927 184 HH11 ARG 29 HH11 ARG 29 15.925 6.347 0.638 185 HH12 ARG 29 HH12 ARG 29 16.057 7.092 2.198 186 HH21 ARG 29 HH21 ARG 29 15.236 4.191 3.985 187 HH22 ARG 29 HH22 ARG 29 15.666 5.866 4.103 188 H PHE 30 H PHE 30 10.054 3.356 0.264 189 HA PHE 30 HA PHE 30 8.961 5.912 0.650 190 HB2 PHE 30 HB2 PHE 30 7.872 4.518 -0.907 191 HB3 PHE 30 HB3 PHE 30 7.757 3.187 0.233 192 HD1 PHE 30 HD2 PHE 30 6.509 6.654 -0.310 193 HD2 PHE 30 HD1 PHE 30 5.782 2.809 1.357 194 HE1 PHE 30 HE2 PHE 30 4.214 7.336 0.255 195 HE2 PHE 30 HE1 PHE 30 3.489 3.489 1.934 196 HZ PHE 30 HZ PHE 30 2.703 5.755 1.380 197 H ALA 31 H ALA 31 8.528 2.957 2.590 198 HA ALA 31 HA ALA 31 6.741 4.257 4.383 199 HB1 ALA 31 HB1 ALA 31 6.778 2.163 5.631 200 HB2 ALA 31 HB2 ALA 31 8.118 1.595 4.635 201 HB3 ALA 31 HB3 ALA 31 6.541 1.890 3.905 202 H GLU 32 H GLU 32 10.190 3.331 4.608 203 HA GLU 32 HA GLU 32 10.380 3.933 7.367 204 HB2 GLU 32 HB2 GLU 32 12.459 3.702 5.208 205 HB3 GLU 32 HB3 GLU 32 12.877 4.079 6.874 206 HG2 GLU 32 HG2 GLU 32 11.205 1.685 6.260 207 HG3 GLU 32 HG3 GLU 32 12.951 1.625 6.039 208 H GLN 33 H GLN 33 10.438 5.943 4.548 209 HA GLN 33 HA GLN 33 11.425 8.257 5.944 210 HB2 GLN 33 HB2 GLN 33 10.142 7.834 3.256 211 HB3 GLN 33 HB3 GLN 33 10.432 9.452 3.884 212 HG2 GLN 33 HG2 GLN 33 12.556 7.355 3.498 213 HG3 GLN 33 HG3 GLN 33 12.201 8.655 2.362 214 HE21 GLN 33 HE21 GLN 33 13.596 7.825 5.427 215 HE22 GLN 33 HE22 GLN 33 14.363 9.347 5.720 216 H ALA 34 H ALA 34 8.348 6.758 5.351 217 HA ALA 34 HA ALA 34 6.853 9.039 6.351 218 HB1 ALA 34 HB1 ALA 34 5.860 6.307 5.546 219 HB2 ALA 34 HB2 ALA 34 6.001 7.692 4.463 220 HB3 ALA 34 HB3 ALA 34 4.879 7.746 5.824 221 H GLY 35 H GLY 35 8.449 6.389 7.683 222 HA2 GLY 35 HA2 GLY 35 8.682 6.133 10.035 223 HA3 GLY 35 HA3 GLY 35 7.091 6.847 10.245 224 H MET 36 H MET 36 7.686 4.344 7.896 225 HA MET 36 HA MET 36 6.431 2.331 9.624 226 HB2 MET 36 HB2 MET 36 5.524 3.070 6.834 227 HB3 MET 36 HB3 MET 36 5.011 1.618 7.678 228 HG2 MET 36 HG2 MET 36 3.991 2.997 9.418 229 HG3 MET 36 HG3 MET 36 4.501 4.450 8.563 230 HE1 MET 36 HE1 MET 36 3.576 5.181 6.205 231 HE2 MET 36 HE2 MET 36 2.389 4.262 5.281 232 HE3 MET 36 HE3 MET 36 4.013 3.619 5.513 233 H GLN 37 H GLN 37 6.462 0.130 8.368 234 HA GLN 37 HA GLN 37 8.635 -0.138 6.462 235 HB2 GLN 37 HB2 GLN 37 9.642 -0.244 8.798 236 HB3 GLN 37 HB3 GLN 37 8.721 -1.720 9.036 237 HG2 GLN 37 HG2 GLN 37 9.903 -2.746 7.144 238 HG3 GLN 37 HG3 GLN 37 10.856 -1.270 6.948 239 HE21 GLN 37 HE21 GLN 37 12.794 -2.326 7.358 240 HE22 GLN 37 HE22 GLN 37 13.232 -2.871 8.939 241 H VAL 38 H VAL 38 8.697 -2.426 5.602 242 HA VAL 38 HA VAL 38 5.993 -3.251 5.132 243 HB VAL 38 HB VAL 38 6.930 -4.891 3.593 244 HG11 VAL 38 HG11 VAL 38 6.656 -2.635 2.767 245 HG12 VAL 38 HG12 VAL 38 8.084 -3.379 2.042 246 HG13 VAL 38 HG13 VAL 38 8.264 -2.206 3.349 247 HG21 VAL 38 HG21 VAL 38 9.617 -4.011 4.628 248 HG22 VAL 38 HG22 VAL 38 9.356 -5.068 3.241 249 HG23 VAL 38 HG23 VAL 38 8.874 -5.595 4.855 250 H PHE 39 H PHE 39 5.001 -5.160 5.701 251 HA PHE 39 HA PHE 39 6.453 -6.859 7.623 252 HB2 PHE 39 HB2 PHE 39 4.554 -5.771 8.692 253 HB3 PHE 39 HB3 PHE 39 3.476 -6.326 7.416 254 HD1 PHE 39 HD2 PHE 39 5.688 -7.522 10.149 255 HD2 PHE 39 HD1 PHE 39 2.403 -8.393 7.587 256 HE1 PHE 39 HE2 PHE 39 5.234 -9.573 11.430 257 HE2 PHE 39 HE1 PHE 39 1.946 -10.444 8.862 258 HZ PHE 39 HZ PHE 39 3.364 -11.037 10.786 259 H PHE 40 H PHE 40 7.279 -8.369 6.314 260 HA PHE 40 HA PHE 40 5.404 -10.209 5.059 261 HB2 PHE 40 HB2 PHE 40 7.722 -8.943 3.572 262 HB3 PHE 40 HB3 PHE 40 6.833 -10.350 3.004 263 HD1 PHE 40 HD2 PHE 40 4.370 -10.095 2.494 264 HD2 PHE 40 HD1 PHE 40 6.952 -6.778 3.156 265 HE1 PHE 40 HE2 PHE 40 2.745 -8.617 1.387 266 HE2 PHE 40 HE1 PHE 40 5.330 -5.291 2.051 267 HZ PHE 40 HZ PHE 40 3.224 -6.210 1.164 268 H ASP 41 H ASP 41 6.042 -12.289 5.275 269 HA ASP 41 HA ASP 41 8.472 -12.804 6.770 270 HB2 ASP 41 HB2 ASP 41 7.681 -15.110 6.921 271 HB3 ASP 41 HB3 ASP 41 6.395 -13.999 7.363 272 H GLU 42 H GLU 42 9.058 -15.405 5.652 273 HA GLU 42 HA GLU 42 10.799 -14.594 3.566 274 HB2 GLU 42 HB2 GLU 42 9.984 -17.369 4.434 275 HB3 GLU 42 HB3 GLU 42 11.301 -17.008 3.329 276 HG2 GLU 42 HG2 GLU 42 12.445 -15.774 5.094 277 HG3 GLU 42 HG3 GLU 42 11.126 -16.141 6.205 278 H VAL 43 H VAL 43 9.520 -13.666 1.977 279 HA VAL 43 HA VAL 43 8.048 -15.603 0.328 280 HB VAL 43 HB VAL 43 6.447 -14.046 1.275 281 HG11 VAL 43 HG11 VAL 43 8.127 -11.845 0.086 282 HG12 VAL 43 HG12 VAL 43 7.925 -12.193 1.803 283 HG13 VAL 43 HG13 VAL 43 6.550 -11.638 0.847 284 HG21 VAL 43 HG21 VAL 43 6.032 -14.774 -0.997 285 HG22 VAL 43 HG22 VAL 43 6.999 -13.441 -1.626 286 HG23 VAL 43 HG23 VAL 43 5.485 -13.112 -0.785 287 H LYS 44 H LYS 44 8.948 -15.941 -1.567 288 HA LYS 44 HA LYS 44 10.694 -13.854 -2.683 289 HB2 LYS 44 HB2 LYS 44 11.967 -15.748 -1.675 290 HB3 LYS 44 HB3 LYS 44 11.170 -16.834 -2.803 291 HG2 LYS 44 HG2 LYS 44 12.189 -15.655 -4.673 292 HG3 LYS 44 HG3 LYS 44 12.975 -14.545 -3.552 293 HD2 LYS 44 HD2 LYS 44 14.554 -16.237 -4.233 294 HD3 LYS 44 HD3 LYS 44 14.149 -16.469 -2.532 295 HE2 LYS 44 HE2 LYS 44 14.202 -18.604 -3.678 296 HE3 LYS 44 HE3 LYS 44 12.560 -18.230 -3.163 297 HZ1 LYS 44 HZ1 LYS 44 12.572 -19.103 -5.396 298 HZ2 LYS 44 HZ2 LYS 44 13.643 -17.898 -5.908 299 HZ3 LYS 44 HZ3 LYS 44 12.077 -17.488 -5.424 300 H LEU 45 H LEU 45 9.449 -13.080 -4.281 301 HA LEU 45 HA LEU 45 8.498 -15.004 -6.288 302 HB2 LEU 45 HB2 LEU 45 6.626 -14.214 -4.833 303 HB3 LEU 45 HB3 LEU 45 6.963 -12.578 -5.360 304 HG LEU 45 HG LEU 45 6.446 -13.264 -7.694 305 HD11 LEU 45 HD11 LEU 45 5.597 -15.839 -6.377 306 HD12 LEU 45 HD12 LEU 45 6.919 -15.635 -7.524 307 HD13 LEU 45 HD13 LEU 45 5.255 -15.382 -8.044 308 HD21 LEU 45 HD21 LEU 45 4.276 -13.734 -5.652 309 HD22 LEU 45 HD22 LEU 45 4.018 -13.398 -7.363 310 HD23 LEU 45 HD23 LEU 45 4.757 -12.177 -6.329 311 H ASP 46 H ASP 46 9.392 -14.573 -8.183 312 HA ASP 46 HA ASP 46 10.814 -12.141 -8.659 313 HB2 ASP 46 HB2 ASP 46 11.597 -14.254 -9.620 314 HB3 ASP 46 HB3 ASP 46 10.114 -14.387 -10.562 315 H GLY 47 H GLY 47 10.010 -10.304 -9.356 316 HA2 GLY 47 HA2 GLY 47 8.704 -9.263 -11.202 317 HA3 GLY 47 HA3 GLY 47 7.417 -10.378 -10.766 318 H MET 48 H MET 48 8.900 -9.473 -7.953 319 HA MET 48 HA MET 48 6.801 -7.653 -7.233 320 HB2 MET 48 HB2 MET 48 9.284 -8.609 -5.823 321 HB3 MET 48 HB3 MET 48 8.258 -7.362 -5.138 322 HG2 MET 48 HG2 MET 48 6.364 -8.954 -5.203 323 HG3 MET 48 HG3 MET 48 7.482 -10.199 -5.761 324 HE1 MET 48 HE1 MET 48 6.663 -11.084 -1.971 325 HE2 MET 48 HE2 MET 48 6.597 -11.678 -3.629 326 HE3 MET 48 HE3 MET 48 5.580 -10.325 -3.137 327 H GLN 49 H GLN 49 6.780 -5.567 -7.736 328 HA GLN 49 HA GLN 49 9.212 -4.001 -7.698 329 HB2 GLN 49 HB2 GLN 49 8.942 -3.193 -10.001 330 HB3 GLN 49 HB3 GLN 49 9.239 -4.923 -9.961 331 HG2 GLN 49 HG2 GLN 49 6.798 -5.293 -10.217 332 HG3 GLN 49 HG3 GLN 49 6.598 -3.552 -10.402 333 HE21 GLN 49 HE21 GLN 49 9.302 -5.390 -11.659 334 HE22 GLN 49 HE22 GLN 49 8.917 -5.168 -13.329 335 H ALA 50 H ALA 50 8.803 -1.730 -7.797 336 HA ALA 50 HA ALA 50 6.069 -1.049 -6.959 337 HB1 ALA 50 HB1 ALA 50 7.064 0.960 -5.992 338 HB2 ALA 50 HB2 ALA 50 8.641 0.496 -6.630 339 HB3 ALA 50 HB3 ALA 50 7.866 -0.491 -5.393 340 H ALA 51 H ALA 51 4.936 0.608 -7.928 341 HA ALA 51 HA ALA 51 5.623 1.229 -10.653 342 HB1 ALA 51 HB1 ALA 51 3.507 2.459 -10.670 343 HB2 ALA 51 HB2 ALA 51 3.362 2.235 -8.927 344 HB3 ALA 51 HB3 ALA 51 3.301 0.839 -10.002 345 H ALA 52 H ALA 52 5.670 3.465 -11.457 346 HA ALA 52 HA ALA 52 7.613 4.985 -10.053 347 HB1 ALA 52 HB1 ALA 52 7.542 4.909 -12.488 348 HB2 ALA 52 HB2 ALA 52 7.421 6.568 -11.902 349 HB3 ALA 52 HB3 ALA 52 5.981 5.728 -12.475 350 H LEU 53 H LEU 53 6.819 5.635 -8.106 351 HA LEU 53 HA LEU 53 4.370 7.204 -7.968 352 HB2 LEU 53 HB2 LEU 53 4.989 5.410 -6.306 353 HB3 LEU 53 HB3 LEU 53 6.295 6.439 -5.771 354 HG LEU 53 HG LEU 53 4.300 6.447 -4.282 355 HD11 LEU 53 HD11 LEU 53 5.858 8.303 -4.230 356 HD12 LEU 53 HD12 LEU 53 4.205 8.853 -3.957 357 HD13 LEU 53 HD13 LEU 53 4.969 9.101 -5.527 358 HD21 LEU 53 HD21 LEU 53 2.984 7.872 -6.581 359 HD22 LEU 53 HD22 LEU 53 2.330 7.704 -4.952 360 HD23 LEU 53 HD23 LEU 53 2.563 6.275 -5.961 361 H ASN 54 H ASN 54 4.404 9.353 -8.138 362 HA ASN 54 HA ASN 54 6.452 10.897 -6.845 363 HB2 ASN 54 HB2 ASN 54 7.090 12.204 -8.852 364 HB3 ASN 54 HB3 ASN 54 7.601 10.526 -8.949 365 HD21 ASN 54 HD21 ASN 54 7.076 12.603 -10.999 366 HD22 ASN 54 HD22 ASN 54 5.972 11.866 -12.109 367 H GLY 55 H GLY 55 4.977 11.945 -5.634 368 HA2 GLY 55 HA2 GLY 55 3.635 14.149 -6.713 369 HA3 GLY 55 HA3 GLY 55 2.470 12.845 -6.554 370 H SER 56 H SER 56 2.313 15.291 -5.197 371 HA SER 56 HA SER 56 3.000 14.762 -2.444 372 HB2 SER 56 HB2 SER 56 1.530 16.882 -2.134 373 HB3 SER 56 HB3 SER 56 3.079 17.052 -2.958 374 HG SER 56 HG SER 56 0.474 17.013 -4.058 375 H MET 57 H MET 57 1.927 13.081 -1.607 376 HA MET 57 HA MET 57 -0.956 13.180 -1.422 377 HB2 MET 57 HB2 MET 57 -1.297 10.959 -2.422 378 HB3 MET 57 HB3 MET 57 -0.682 12.114 -3.593 379 HG2 MET 57 HG2 MET 57 1.578 11.176 -3.281 380 HG3 MET 57 HG3 MET 57 0.899 9.972 -2.189 381 HE1 MET 57 HE1 MET 57 -0.056 10.235 -6.700 382 HE2 MET 57 HE2 MET 57 1.050 11.318 -5.853 383 HE3 MET 57 HE3 MET 57 -0.684 11.402 -5.536 384 H SER 58 H SER 58 -1.753 11.249 -0.122 385 HA SER 58 HA SER 58 0.201 10.741 2.000 386 HB2 SER 58 HB2 SER 58 -2.787 10.276 2.065 387 HB3 SER 58 HB3 SER 58 -1.680 10.308 3.438 388 HG SER 58 HG SER 58 -1.720 12.423 3.436 389 H VAL 59 H VAL 59 -0.454 8.482 3.180 390 HA VAL 59 HA VAL 59 0.631 6.518 1.495 391 HB VAL 59 HB VAL 59 -0.956 5.999 4.009 392 HG11 VAL 59 HG11 VAL 59 0.477 4.022 4.205 393 HG12 VAL 59 HG12 VAL 59 1.245 4.430 2.670 394 HG13 VAL 59 HG13 VAL 59 -0.465 3.998 2.715 395 HG21 VAL 59 HG21 VAL 59 1.175 6.167 5.206 396 HG22 VAL 59 HG22 VAL 59 0.742 7.693 4.436 397 HG23 VAL 59 HG23 VAL 59 1.973 6.660 3.712 398 H GLU 60 H GLU 60 -2.698 7.155 2.456 399 HA GLU 60 HA GLU 60 -4.022 4.970 1.426 400 HB2 GLU 60 HB2 GLU 60 -4.889 7.863 1.341 401 HB3 GLU 60 HB3 GLU 60 -5.952 6.482 1.113 402 HG2 GLU 60 HG2 GLU 60 -4.358 6.962 3.615 403 HG3 GLU 60 HG3 GLU 60 -6.013 7.524 3.384 404 H GLN 61 H GLN 61 -2.802 7.784 -0.270 405 HA GLN 61 HA GLN 61 -3.974 6.940 -2.799 406 HB2 GLN 61 HB2 GLN 61 -2.189 9.306 -2.224 407 HB3 GLN 61 HB3 GLN 61 -3.208 9.070 -3.636 408 HG2 GLN 61 HG2 GLN 61 -5.178 9.423 -2.398 409 HG3 GLN 61 HG3 GLN 61 -4.331 9.263 -0.860 410 HE21 GLN 61 HE21 GLN 61 -5.027 11.340 -3.545 411 HE22 GLN 61 HE22 GLN 61 -4.422 12.798 -2.836 412 H GLY 62 H GLY 62 -0.806 7.528 -1.346 413 HA2 GLY 62 HA2 GLY 62 0.735 7.037 -3.651 414 HA3 GLY 62 HA3 GLY 62 1.325 7.011 -1.999 415 H LEU 63 H LEU 63 0.315 4.949 -0.799 416 HA LEU 63 HA LEU 63 1.757 2.768 -1.777 417 HB2 LEU 63 HB2 LEU 63 0.839 3.306 0.590 418 HB3 LEU 63 HB3 LEU 63 -0.618 2.506 0.053 419 HG LEU 63 HG LEU 63 0.815 1.057 1.407 420 HD11 LEU 63 HD11 LEU 63 0.810 -0.883 -0.048 421 HD12 LEU 63 HD12 LEU 63 0.586 0.161 -1.451 422 HD13 LEU 63 HD13 LEU 63 -0.673 0.054 -0.220 423 HD21 LEU 63 HD21 LEU 63 2.984 1.981 0.745 424 HD22 LEU 63 HD22 LEU 63 2.784 1.290 -0.865 425 HD23 LEU 63 HD23 LEU 63 2.930 0.231 0.536 426 H ARG 64 H ARG 64 -1.608 3.644 -2.068 427 HA ARG 64 HA ARG 64 -2.770 1.444 -3.183 428 HB2 ARG 64 HB2 ARG 64 -3.915 3.509 -2.495 429 HB3 ARG 64 HB3 ARG 64 -3.212 4.352 -3.866 430 HG2 ARG 64 HG2 ARG 64 -4.456 3.014 -5.396 431 HG3 ARG 64 HG3 ARG 64 -5.060 2.005 -4.082 432 HD2 ARG 64 HD2 ARG 64 -6.170 3.985 -3.114 433 HD3 ARG 64 HD3 ARG 64 -5.621 4.939 -4.491 434 HE ARG 64 HE ARG 64 -6.928 3.040 -5.767 435 HH11 ARG 64 HH11 ARG 64 -7.860 4.769 -2.859 436 HH12 ARG 64 HH12 ARG 64 -9.560 4.611 -3.160 437 HH21 ARG 64 HH21 ARG 64 -9.150 2.806 -6.154 438 HH22 ARG 64 HH22 ARG 64 -10.299 3.493 -5.041 439 H ARG 65 H ARG 65 -1.382 4.184 -5.020 440 HA ARG 65 HA ARG 65 -1.539 2.727 -7.493 441 HB2 ARG 65 HB2 ARG 65 -0.278 5.378 -6.792 442 HB3 ARG 65 HB3 ARG 65 -0.339 4.724 -8.423 443 HG2 ARG 65 HG2 ARG 65 -2.785 4.749 -8.333 444 HG3 ARG 65 HG3 ARG 65 -2.710 5.425 -6.704 445 HD2 ARG 65 HD2 ARG 65 -1.606 7.403 -7.533 446 HD3 ARG 65 HD3 ARG 65 -1.518 6.714 -9.154 447 HE ARG 65 HE ARG 65 -4.204 6.880 -8.182 448 HH11 ARG 65 HH11 ARG 65 -1.619 8.747 -9.627 449 HH12 ARG 65 HH12 ARG 65 -2.692 9.878 -10.389 450 HH21 ARG 65 HH21 ARG 65 -5.618 8.364 -9.205 451 HH22 ARG 65 HH22 ARG 65 -4.957 9.655 -10.159 452 H LEU 66 H LEU 66 0.776 3.098 -5.014 453 HA LEU 66 HA LEU 66 3.167 2.811 -6.469 454 HB2 LEU 66 HB2 LEU 66 2.357 3.021 -3.750 455 HB3 LEU 66 HB3 LEU 66 3.453 1.662 -3.882 456 HG LEU 66 HG LEU 66 4.064 4.469 -4.806 457 HD11 LEU 66 HD11 LEU 66 3.873 4.344 -2.383 458 HD12 LEU 66 HD12 LEU 66 5.553 4.566 -2.871 459 HD13 LEU 66 HD13 LEU 66 4.986 2.978 -2.355 460 HD21 LEU 66 HD21 LEU 66 6.356 3.656 -5.021 461 HD22 LEU 66 HD22 LEU 66 5.262 2.762 -6.074 462 HD23 LEU 66 HD23 LEU 66 5.828 2.036 -4.571 463 H ILE 67 H ILE 67 1.003 0.401 -5.028 464 HA ILE 67 HA ILE 67 2.994 -1.650 -5.497 465 HB ILE 67 HB ILE 67 0.378 -1.677 -4.041 466 HG12 ILE 67 HG12 ILE 67 3.269 -2.053 -3.260 467 HG13 ILE 67 HG13 ILE 67 2.191 -0.748 -2.783 468 HG21 ILE 67 HG21 ILE 67 0.788 -4.031 -3.502 469 HG22 ILE 67 HG22 ILE 67 2.151 -4.043 -4.621 470 HG23 ILE 67 HG23 ILE 67 0.515 -3.785 -5.226 471 HD11 ILE 67 HD11 ILE 67 0.848 -2.360 -1.504 472 HD12 ILE 67 HD12 ILE 67 2.519 -2.272 -0.947 473 HD13 ILE 67 HD13 ILE 67 1.991 -3.629 -1.942 474 H GLY 68 H GLY 68 -0.501 -1.377 -6.325 475 HA2 GLY 68 HA2 GLY 68 0.092 -3.474 -8.312 476 HA3 GLY 68 HA3 GLY 68 -1.421 -3.363 -7.437 477 H GLY 69 H GLY 69 -2.324 -0.911 -7.770 478 HA2 GLY 69 HA2 GLY 69 -3.318 0.451 -9.414 479 HA3 GLY 69 HA3 GLY 69 -2.478 -0.474 -10.657 480 H ASN 70 H ASN 70 -3.281 -2.946 -9.182 481 HA ASN 70 HA ASN 70 -6.000 -3.233 -10.240 482 HB2 ASN 70 HB2 ASN 70 -3.882 -5.266 -9.492 483 HB3 ASN 70 HB3 ASN 70 -5.517 -5.698 -9.979 484 HD21 ASN 70 HD21 ASN 70 -6.119 -5.497 -12.115 485 HD22 ASN 70 HD22 ASN 70 -4.981 -5.210 -13.383 486 HA PRO 71 HA PRO 71 -7.818 -3.389 -6.245 487 HB2 PRO 71 HB2 PRO 71 -9.609 -5.452 -6.478 488 HB3 PRO 71 HB3 PRO 71 -9.861 -3.839 -7.151 489 HG2 PRO 71 HG2 PRO 71 -8.900 -6.328 -8.503 490 HG3 PRO 71 HG3 PRO 71 -10.041 -5.103 -9.089 491 HD2 PRO 71 HD2 PRO 71 -7.479 -5.170 -9.909 492 HD3 PRO 71 HD3 PRO 71 -8.354 -3.641 -9.692 493 H VAL 72 H VAL 72 -6.087 -4.010 -4.970 494 HA VAL 72 HA VAL 72 -6.441 -6.664 -3.774 495 HB VAL 72 HB VAL 72 -3.683 -5.605 -3.634 496 HG11 VAL 72 HG11 VAL 72 -3.128 -7.981 -3.859 497 HG12 VAL 72 HG12 VAL 72 -4.827 -8.345 -4.162 498 HG13 VAL 72 HG13 VAL 72 -4.328 -7.704 -2.596 499 HG21 VAL 72 HG21 VAL 72 -2.996 -6.504 -5.809 500 HG22 VAL 72 HG22 VAL 72 -4.113 -5.153 -5.990 501 HG23 VAL 72 HG23 VAL 72 -4.685 -6.806 -6.217 502 H ALA 73 H ALA 73 -5.533 -6.566 -1.407 503 HA ALA 73 HA ALA 73 -6.396 -3.911 -0.452 504 HB1 ALA 73 HB1 ALA 73 -7.506 -4.984 1.376 505 HB2 ALA 73 HB2 ALA 73 -6.842 -6.550 0.914 506 HB3 ALA 73 HB3 ALA 73 -8.025 -5.756 -0.125 507 H PHE 74 H PHE 74 -4.877 -2.811 0.594 508 HA PHE 74 HA PHE 74 -2.871 -4.335 2.122 509 HB2 PHE 74 HB2 PHE 74 -1.309 -2.529 1.806 510 HB3 PHE 74 HB3 PHE 74 -1.947 -2.984 0.232 511 HD1 PHE 74 HD1 PHE 74 -3.694 -1.524 -0.827 512 HD2 PHE 74 HD2 PHE 74 -1.519 -0.332 2.626 513 HE1 PHE 74 HE1 PHE 74 -4.295 0.817 -1.268 514 HE2 PHE 74 HE2 PHE 74 -2.107 2.020 2.184 515 HZ PHE 74 HZ PHE 74 -3.502 2.593 0.241 516 H ARG 75 H ARG 75 -2.260 -3.518 4.209 517 HA ARG 75 HA ARG 75 -4.086 -1.482 5.281 518 HB2 ARG 75 HB2 ARG 75 -4.565 -2.828 7.254 519 HB3 ARG 75 HB3 ARG 75 -5.071 -3.675 5.801 520 HG2 ARG 75 HG2 ARG 75 -2.874 -4.915 5.920 521 HG3 ARG 75 HG3 ARG 75 -2.686 -4.228 7.534 522 HD2 ARG 75 HD2 ARG 75 -3.643 -6.349 7.870 523 HD3 ARG 75 HD3 ARG 75 -4.974 -5.207 8.049 524 HE ARG 75 HE ARG 75 -4.706 -6.222 5.380 525 HH11 ARG 75 HH11 ARG 75 -6.070 -6.840 8.543 526 HH12 ARG 75 HH12 ARG 75 -7.296 -7.912 7.941 527 HH21 ARG 75 HH21 ARG 75 -6.309 -7.647 4.583 528 HH22 ARG 75 HH22 ARG 75 -7.435 -8.366 5.698 529 H LEU 76 H LEU 76 -3.191 -0.131 6.733 530 HA LEU 76 HA LEU 76 -0.329 -0.453 7.230 531 HB2 LEU 76 HB2 LEU 76 -2.107 1.937 7.748 532 HB3 LEU 76 HB3 LEU 76 -0.368 1.898 7.931 533 HG LEU 76 HG LEU 76 -0.684 3.029 5.930 534 HD11 LEU 76 HD11 LEU 76 0.962 1.287 5.658 535 HD12 LEU 76 HD12 LEU 76 0.096 1.552 4.141 536 HD13 LEU 76 HD13 LEU 76 -0.287 0.151 5.146 537 HD21 LEU 76 HD21 LEU 76 -3.075 2.620 5.697 538 HD22 LEU 76 HD22 LEU 76 -2.744 0.987 5.118 539 HD23 LEU 76 HD23 LEU 76 -2.227 2.382 4.170 540 H GLN 77 H GLN 77 0.009 -1.684 8.978 541 HA GLN 77 HA GLN 77 -1.793 -1.865 11.169 542 HB2 GLN 77 HB2 GLN 77 1.112 -2.687 11.004 543 HB3 GLN 77 HB3 GLN 77 -0.030 -3.201 12.238 544 HG2 GLN 77 HG2 GLN 77 -0.135 -3.845 9.300 545 HG3 GLN 77 HG3 GLN 77 0.240 -4.954 10.620 546 HE21 GLN 77 HE21 GLN 77 -1.417 -5.701 11.935 547 HE22 GLN 77 HE22 GLN 77 -3.087 -5.528 11.512 548 HA PRO 78 HA PRO 78 -0.827 1.701 13.483 549 HB2 PRO 78 HB2 PRO 78 -1.270 0.802 16.027 550 HB3 PRO 78 HB3 PRO 78 -2.558 1.199 14.885 551 HG2 PRO 78 HG2 PRO 78 -1.410 -1.470 15.595 552 HG3 PRO 78 HG3 PRO 78 -3.105 -1.010 15.347 553 HD2 PRO 78 HD2 PRO 78 -1.686 -2.299 13.456 554 HD3 PRO 78 HD3 PRO 78 -2.920 -1.093 13.045 555 H GLN 79 H GLN 79 1.050 -1.098 13.776 556 HA GLN 79 HA GLN 79 2.978 0.055 15.612 557 HB2 GLN 79 HB2 GLN 79 3.138 -2.462 13.939 558 HB3 GLN 79 HB3 GLN 79 4.272 -1.992 15.197 559 HG2 GLN 79 HG2 GLN 79 2.511 -2.172 16.864 560 HG3 GLN 79 HG3 GLN 79 1.359 -2.616 15.606 561 HE21 GLN 79 HE21 GLN 79 4.673 -3.706 15.602 562 HE22 GLN 79 HE22 GLN 79 4.333 -5.361 15.956 563 H GLY 80 H GLY 80 2.175 0.549 12.483 564 HA2 GLY 80 HA2 GLY 80 3.280 1.878 10.923 565 HA3 GLY 80 HA3 GLY 80 4.770 1.683 11.839 566 H GLN 81 H GLN 81 2.516 -0.649 10.362 567 HA GLN 81 HA GLN 81 4.797 -1.695 8.822 568 HB2 GLN 81 HB2 GLN 81 2.639 -3.422 10.034 569 HB3 GLN 81 HB3 GLN 81 4.086 -3.955 9.197 570 HG2 GLN 81 HG2 GLN 81 5.434 -2.944 11.025 571 HG3 GLN 81 HG3 GLN 81 3.928 -2.623 11.884 572 HE21 GLN 81 HE21 GLN 81 6.205 -5.023 10.888 573 HE22 GLN 81 HE22 GLN 81 5.551 -6.328 11.819 574 H ILE 82 H ILE 82 4.431 -2.111 6.736 575 HA ILE 82 HA ILE 82 1.697 -1.761 5.713 576 HB ILE 82 HB ILE 82 4.293 -1.812 4.158 577 HG12 ILE 82 HG12 ILE 82 2.606 0.529 5.062 578 HG13 ILE 82 HG13 ILE 82 4.230 0.142 5.616 579 HG21 ILE 82 HG21 ILE 82 2.942 -0.916 2.322 580 HG22 ILE 82 HG22 ILE 82 1.500 -1.028 3.330 581 HG23 ILE 82 HG23 ILE 82 2.354 -2.494 2.849 582 HD11 ILE 82 HD11 ILE 82 4.284 1.957 4.027 583 HD12 ILE 82 HD12 ILE 82 3.447 0.967 2.832 584 HD13 ILE 82 HD13 ILE 82 5.075 0.533 3.350 585 H VAL 83 H VAL 83 0.600 -3.565 5.314 586 HA VAL 83 HA VAL 83 2.052 -5.851 4.195 587 HB VAL 83 HB VAL 83 1.691 -6.293 6.576 588 HG11 VAL 83 HG11 VAL 83 -0.302 -4.968 6.932 589 HG12 VAL 83 HG12 VAL 83 -0.514 -6.623 7.500 590 HG13 VAL 83 HG13 VAL 83 -1.238 -6.115 5.974 591 HG21 VAL 83 HG21 VAL 83 1.762 -8.180 5.078 592 HG22 VAL 83 HG22 VAL 83 0.040 -8.007 4.736 593 HG23 VAL 83 HG23 VAL 83 0.576 -8.483 6.347 594 H LEU 84 H LEU 84 0.971 -7.014 2.670 595 HA LEU 84 HA LEU 84 -1.516 -5.805 1.695 596 HB2 LEU 84 HB2 LEU 84 0.809 -5.936 0.400 597 HB3 LEU 84 HB3 LEU 84 0.228 -7.539 0.007 598 HG LEU 84 HG LEU 84 -1.186 -4.952 -0.650 599 HD11 LEU 84 HD11 LEU 84 0.245 -6.920 -2.430 600 HD12 LEU 84 HD12 LEU 84 0.859 -5.339 -1.954 601 HD13 LEU 84 HD13 LEU 84 -0.595 -5.456 -2.946 602 HD21 LEU 84 HD21 LEU 84 -2.795 -6.669 -0.304 603 HD22 LEU 84 HD22 LEU 84 -1.861 -7.812 -1.262 604 HD23 LEU 84 HD23 LEU 84 -2.617 -6.419 -2.037 605 H SER 85 H SER 85 -3.279 -7.085 1.438 606 HA SER 85 HA SER 85 -2.955 -9.968 1.911 607 HB2 SER 85 HB2 SER 85 -5.304 -9.807 2.929 608 HB3 SER 85 HB3 SER 85 -3.982 -9.143 3.887 609 HG SER 85 HG SER 85 -5.094 -7.319 2.168 610 H ARG 86 H ARG 86 -3.801 -11.248 0.371 611 HA ARG 86 HA ARG 86 -5.035 -9.905 -1.892 612 HB2 ARG 86 HB2 ARG 86 -3.166 -11.498 -2.256 613 HB3 ARG 86 HB3 ARG 86 -4.181 -12.794 -1.636 614 HG2 ARG 86 HG2 ARG 86 -5.715 -12.550 -3.462 615 HG3 ARG 86 HG3 ARG 86 -4.871 -11.111 -4.033 616 HD2 ARG 86 HD2 ARG 86 -4.238 -12.968 -5.410 617 HD3 ARG 86 HD3 ARG 86 -2.858 -12.504 -4.416 618 HE ARG 86 HE ARG 86 -4.167 -14.507 -3.031 619 HH11 ARG 86 HH11 ARG 86 -2.552 -14.128 -6.111 620 HH12 ARG 86 HH12 ARG 86 -2.111 -15.803 -6.232 621 HH21 ARG 86 HH21 ARG 86 -3.570 -16.718 -3.174 622 HH22 ARG 86 HH22 ARG 86 -2.686 -17.274 -4.562 623 H LEU 87 H LEU 87 -7.089 -9.475 -1.290 624 HA LEU 87 HA LEU 87 -8.814 -11.680 -0.496 625 HB2 LEU 87 HB2 LEU 87 -9.160 -8.698 -0.624 626 HB3 LEU 87 HB3 LEU 87 -10.559 -9.749 -0.522 627 HG LEU 87 HG LEU 87 -10.122 -9.042 1.682 628 HD11 LEU 87 HD11 LEU 87 -9.651 -11.068 2.864 629 HD12 LEU 87 HD12 LEU 87 -8.826 -11.750 1.466 630 HD13 LEU 87 HD13 LEU 87 -10.565 -11.465 1.410 631 HD21 LEU 87 HD21 LEU 87 -7.886 -8.168 1.372 632 HD22 LEU 87 HD22 LEU 87 -7.240 -9.804 1.242 633 HD23 LEU 87 HD23 LEU 87 -7.934 -9.246 2.766 634 HA PRO 88 HA PRO 88 -10.322 -12.438 -4.558 635 HB2 PRO 88 HB2 PRO 88 -13.033 -12.849 -3.512 636 HB3 PRO 88 HB3 PRO 88 -11.922 -14.015 -4.234 637 HG2 PRO 88 HG2 PRO 88 -12.514 -14.050 -1.610 638 HG3 PRO 88 HG3 PRO 88 -10.910 -14.498 -2.219 639 HD2 PRO 88 HD2 PRO 88 -11.815 -11.925 -0.980 640 HD3 PRO 88 HD3 PRO 88 -10.315 -12.837 -0.713 641 H THR 89 H THR 89 -12.868 -12.112 -5.594 642 HA THR 89 HA THR 89 -12.801 -9.398 -6.385 643 HB THR 89 HB THR 89 -15.013 -11.423 -6.787 644 HG1 THR 89 HG1 THR 89 -12.761 -10.755 -8.415 645 HG21 THR 89 HG21 THR 89 -15.596 -10.049 -8.739 646 HG22 THR 89 HG22 THR 89 -14.341 -8.892 -8.296 647 HG23 THR 89 HG23 THR 89 -15.734 -9.129 -7.241 648 H ALA 90 H ALA 90 -13.209 -7.880 -4.894 649 HA ALA 90 HA ALA 90 -15.107 -8.163 -2.795 650 HB1 ALA 90 HB1 ALA 90 -13.747 -5.671 -3.814 651 HB2 ALA 90 HB2 ALA 90 -13.107 -6.761 -2.585 652 HB3 ALA 90 HB3 ALA 90 -14.581 -5.848 -2.271 653 H ASN 91 H ASN 91 -17.144 -7.372 -2.588 654 HA ASN 91 HA ASN 91 -18.401 -6.407 -5.068 655 HB2 ASN 91 HB2 ASN 91 -19.588 -7.885 -2.718 656 HB3 ASN 91 HB3 ASN 91 -20.537 -7.219 -4.041 657 HD21 ASN 91 HD21 ASN 91 -18.514 -7.888 -6.055 658 HD22 ASN 91 HD22 ASN 91 -18.611 -9.601 -6.266 659 H GLY 92 H GLY 92 -17.132 -5.108 -2.472 660 HA2 GLY 92 HA2 GLY 92 -19.196 -3.647 -1.217 661 HA3 GLY 92 HA3 GLY 92 -17.484 -3.273 -1.146 662 H ASP 93 H ASP 93 -18.375 -3.362 -4.351 663 HA ASP 93 HA ASP 93 -18.573 -0.462 -4.523 664 HB2 ASP 93 HB2 ASP 93 -18.302 -0.763 -6.901 665 HB3 ASP 93 HB3 ASP 93 -17.130 -1.797 -6.091 666 H GLY 94 H GLY 94 -20.649 -2.892 -3.920 667 HA2 GLY 94 HA2 GLY 94 -22.994 -2.711 -3.802 668 HA3 GLY 94 HA3 GLY 94 -22.933 -1.430 -5.007 669 H GLY 95 H GLY 95 -21.063 -4.229 -5.626 670 HA2 GLY 95 HA2 GLY 95 -22.568 -4.755 -8.014 671 HA3 GLY 95 HA3 GLY 95 -21.124 -5.601 -7.483 672 H ALA 96 H ALA 96 -22.082 -6.443 -4.945 673 HA ALA 96 HA ALA 96 -24.469 -7.980 -5.318 674 HB1 ALA 96 HB1 ALA 96 -23.419 -10.188 -5.316 675 HB2 ALA 96 HB2 ALA 96 -21.826 -9.437 -5.400 676 HB3 ALA 96 HB3 ALA 96 -22.955 -9.262 -6.743 677 H LEU 97 H LEU 97 -24.735 -9.579 -3.486 678 HA LEU 97 HA LEU 97 -23.680 -8.346 -1.039 679 HB2 LEU 97 HB2 LEU 97 -26.055 -10.166 -1.450 680 HB3 LEU 97 HB3 LEU 97 -25.565 -9.483 0.087 681 HG LEU 97 HG LEU 97 -26.492 -7.888 -2.304 682 HD11 LEU 97 HD11 LEU 97 -28.502 -7.477 -0.979 683 HD12 LEU 97 HD12 LEU 97 -27.899 -8.560 0.277 684 HD13 LEU 97 HD13 LEU 97 -28.296 -9.195 -1.321 685 HD21 LEU 97 HD21 LEU 97 -24.909 -6.657 -0.917 686 HD22 LEU 97 HD22 LEU 97 -25.856 -7.038 0.520 687 HD23 LEU 97 HD23 LEU 97 -26.539 -6.007 -0.738 688 H ALA 98 H ALA 98 -22.372 -10.432 -2.800 689 HA ALA 98 HA ALA 98 -22.183 -12.728 -1.068 690 HB1 ALA 98 HB1 ALA 98 -20.524 -11.948 -3.465 691 HB2 ALA 98 HB2 ALA 98 -21.932 -13.011 -3.476 692 HB3 ALA 98 HB3 ALA 98 -20.463 -13.502 -2.635 693 H LEU 99 H LEU 99 -19.761 -10.419 -2.251 694 HA LEU 99 HA LEU 99 -18.449 -10.576 0.365 695 HB2 LEU 99 HB2 LEU 99 -17.180 -10.047 -2.324 696 HB3 LEU 99 HB3 LEU 99 -16.334 -10.127 -0.792 697 HG LEU 99 HG LEU 99 -17.764 -12.431 -2.123 698 HD11 LEU 99 HD11 LEU 99 -14.818 -11.906 -1.771 699 HD12 LEU 99 HD12 LEU 99 -15.712 -11.758 -3.283 700 HD13 LEU 99 HD13 LEU 99 -15.546 -13.333 -2.507 701 HD21 LEU 99 HD21 LEU 99 -17.821 -12.593 0.310 702 HD22 LEU 99 HD22 LEU 99 -16.076 -12.351 0.375 703 HD23 LEU 99 HD23 LEU 99 -16.738 -13.800 -0.381 704 H ASP 100 H ASP 100 -20.466 -8.794 0.164 705 HA ASP 100 HA ASP 100 -19.592 -6.250 -0.832 706 HB2 ASP 100 HB2 ASP 100 -21.670 -5.374 0.059 707 HB3 ASP 100 HB3 ASP 100 -21.987 -6.900 -0.756 708 H SER 101 H SER 101 -19.558 -7.855 2.290 709 HA SER 101 HA SER 101 -18.749 -5.434 3.662 710 HB2 SER 101 HB2 SER 101 -18.893 -8.277 4.684 711 HB3 SER 101 HB3 SER 101 -18.677 -6.831 5.668 712 HG SER 101 HG SER 101 -20.948 -7.927 4.754 713 H LEU 102 H LEU 102 -17.189 -7.419 1.636 714 HA LEU 102 HA LEU 102 -14.815 -8.105 3.001 715 HB2 LEU 102 HB2 LEU 102 -15.613 -9.110 0.866 716 HB3 LEU 102 HB3 LEU 102 -15.197 -7.618 0.047 717 HG LEU 102 HG LEU 102 -12.823 -7.970 0.683 718 HD11 LEU 102 HD11 LEU 102 -12.148 -10.179 1.502 719 HD12 LEU 102 HD12 LEU 102 -13.843 -10.622 1.691 720 HD13 LEU 102 HD13 LEU 102 -13.156 -9.326 2.669 721 HD21 LEU 102 HD21 LEU 102 -13.600 -8.662 -1.502 722 HD22 LEU 102 HD22 LEU 102 -14.146 -10.204 -0.848 723 HD23 LEU 102 HD23 LEU 102 -12.428 -9.826 -0.889 724 H THR 103 H THR 103 -15.875 -5.202 1.375 725 HA THR 103 HA THR 103 -13.270 -3.985 1.306 726 HB THR 103 HB THR 103 -14.693 -1.895 0.785 727 HG1 THR 103 HG1 THR 103 -16.790 -2.152 0.811 728 HG21 THR 103 HG21 THR 103 -13.496 -3.179 -0.925 729 HG22 THR 103 HG22 THR 103 -15.057 -2.622 -1.525 730 HG23 THR 103 HG23 THR 103 -14.851 -4.301 -1.032 731 H VAL 104 H VAL 104 -15.737 -4.361 3.620 732 HA VAL 104 HA VAL 104 -15.183 -1.971 5.117 733 HB VAL 104 HB VAL 104 -16.692 -4.442 5.993 734 HG11 VAL 104 HG11 VAL 104 -16.666 -1.634 7.093 735 HG12 VAL 104 HG12 VAL 104 -15.984 -3.067 7.864 736 HG13 VAL 104 HG13 VAL 104 -17.727 -2.935 7.633 737 HG21 VAL 104 HG21 VAL 104 -18.719 -3.215 5.395 738 HG22 VAL 104 HG22 VAL 104 -17.686 -3.463 3.987 739 HG23 VAL 104 HG23 VAL 104 -17.738 -1.886 4.776 740 H LEU 105 H LEU 105 -12.989 -2.044 5.519 741 HA LEU 105 HA LEU 105 -12.100 -4.158 7.373 742 HB2 LEU 105 HB2 LEU 105 -10.932 -4.214 5.219 743 HB3 LEU 105 HB3 LEU 105 -10.475 -2.535 5.409 744 HG LEU 105 HG LEU 105 -9.104 -3.154 7.375 745 HD11 LEU 105 HD11 LEU 105 -9.846 -5.972 6.605 746 HD12 LEU 105 HD12 LEU 105 -10.295 -5.137 8.094 747 HD13 LEU 105 HD13 LEU 105 -8.604 -5.524 7.775 748 HD21 LEU 105 HD21 LEU 105 -8.479 -4.663 4.843 749 HD22 LEU 105 HD22 LEU 105 -7.324 -4.270 6.116 750 HD23 LEU 105 HD23 LEU 105 -8.077 -2.979 5.179 751 H GLY 106 H GLY 106 -12.644 -0.824 6.896 752 HA2 GLY 106 HA2 GLY 106 -12.534 0.897 8.449 753 HA3 GLY 106 HA3 GLY 106 -11.761 -0.210 9.577 754 H ALA 107 H ALA 107 -9.520 -0.480 9.519 755 HA ALA 107 HA ALA 107 -8.075 1.756 8.351 756 HB1 ALA 107 HB1 ALA 107 -7.116 -0.464 10.157 757 HB2 ALA 107 HB2 ALA 107 -7.623 1.144 10.674 758 HB3 ALA 107 HB3 ALA 107 -6.181 0.953 9.676 759 H GLY 108 H GLY 108 -7.400 1.564 6.320 760 HA2 GLY 108 HA2 GLY 108 -5.628 0.252 5.045 761 HA3 GLY 108 HA3 GLY 108 -6.696 -1.119 5.319 762 H GLY 109 H GLY 109 -6.151 -0.705 2.779 763 HA2 GLY 109 HA2 GLY 109 -8.684 0.144 1.674 764 HA3 GLY 109 HA3 GLY 109 -7.332 1.177 1.232 765 H ASN 110 H ASN 110 -7.802 0.529 -0.966 766 HA ASN 110 HA ASN 110 -6.640 -2.103 -1.582 767 HB2 ASN 110 HB2 ASN 110 -8.163 -2.360 -3.453 768 HB3 ASN 110 HB3 ASN 110 -9.092 -2.099 -1.982 769 HD21 ASN 110 HD21 ASN 110 -10.217 -0.169 -1.718 770 HD22 ASN 110 HD22 ASN 110 -10.528 0.902 -3.037 771 H ASN 111 H ASN 111 -5.521 -2.249 -3.603 772 HA ASN 111 HA ASN 111 -4.027 0.190 -4.092 773 HB2 ASN 111 HB2 ASN 111 -3.565 -2.625 -5.100 774 HB3 ASN 111 HB3 ASN 111 -2.464 -1.270 -5.346 775 HD21 ASN 111 HD21 ASN 111 -1.305 -0.461 -3.592 776 HD22 ASN 111 HD22 ASN 111 -1.098 -1.380 -2.145 777 H ALA 112 H ALA 112 -6.812 -0.262 -5.248 778 HA ALA 112 HA ALA 112 -6.074 0.038 -8.088 779 HB1 ALA 112 HB1 ALA 112 -8.684 -0.919 -6.918 780 HB2 ALA 112 HB2 ALA 112 -7.475 -1.910 -7.734 781 HB3 ALA 112 HB3 ALA 112 -8.361 -0.680 -8.635 Start of MODEL 14 1 H1 SER 6 H1 SER 6 -8.361 18.898 11.416 2 H2 SER 6 H2 SER 6 -8.320 19.812 12.837 3 H3 SER 6 H3 SER 6 -7.120 20.021 11.669 4 HA SER 6 HA SER 6 -9.983 20.674 11.369 5 HB2 SER 6 HB2 SER 6 -9.027 23.023 11.163 6 HB3 SER 6 HB3 SER 6 -8.967 22.303 12.771 7 HG SER 6 HG SER 6 -6.986 23.355 11.982 8 H MET 7 H MET 7 -7.427 19.385 9.765 9 HA MET 7 HA MET 7 -8.241 20.644 7.230 10 HB2 MET 7 HB2 MET 7 -5.530 19.630 8.074 11 HB3 MET 7 HB3 MET 7 -5.943 19.952 6.398 12 HG2 MET 7 HG2 MET 7 -6.398 22.293 6.976 13 HG3 MET 7 HG3 MET 7 -5.931 21.956 8.642 14 HE1 MET 7 HE1 MET 7 -4.638 24.275 6.814 15 HE2 MET 7 HE2 MET 7 -2.938 24.110 7.250 16 HE3 MET 7 HE3 MET 7 -4.182 23.989 8.494 17 H ALA 8 H ALA 8 -9.690 18.554 8.229 18 HA ALA 8 HA ALA 8 -8.779 15.986 7.505 19 HB1 ALA 8 HB1 ALA 8 -11.611 16.973 7.806 20 HB2 ALA 8 HB2 ALA 8 -10.594 16.334 9.096 21 HB3 ALA 8 HB3 ALA 8 -11.102 15.287 7.773 22 H GLN 9 H GLN 9 -10.671 18.411 5.769 23 HA GLN 9 HA GLN 9 -11.242 16.672 3.563 24 HB2 GLN 9 HB2 GLN 9 -11.472 19.676 3.763 25 HB3 GLN 9 HB3 GLN 9 -12.155 18.680 2.488 26 HG2 GLN 9 HG2 GLN 9 -13.562 17.549 4.160 27 HG3 GLN 9 HG3 GLN 9 -12.909 18.620 5.398 28 HE21 GLN 9 HE21 GLN 9 -12.826 20.885 3.517 29 HE22 GLN 9 HE22 GLN 9 -14.462 21.423 3.370 30 H ALA 10 H ALA 10 -8.795 19.037 4.341 31 HA ALA 10 HA ALA 10 -7.686 19.154 1.705 32 HB1 ALA 10 HB1 ALA 10 -5.831 20.345 2.749 33 HB2 ALA 10 HB2 ALA 10 -6.444 19.918 4.345 34 HB3 ALA 10 HB3 ALA 10 -7.381 20.983 3.298 35 H ALA 11 H ALA 11 -7.405 17.050 4.403 36 HA ALA 11 HA ALA 11 -6.351 15.073 4.734 37 HB1 ALA 11 HB1 ALA 11 -5.598 13.789 2.809 38 HB2 ALA 11 HB2 ALA 11 -5.696 15.228 1.793 39 HB3 ALA 11 HB3 ALA 11 -7.162 14.536 2.485 40 H GLN 12 H GLN 12 -4.051 13.955 3.995 41 HA GLN 12 HA GLN 12 -2.026 16.011 4.553 42 HB2 GLN 12 HB2 GLN 12 -0.671 14.094 5.483 43 HB3 GLN 12 HB3 GLN 12 -2.114 14.504 6.398 44 HG2 GLN 12 HG2 GLN 12 -3.297 12.625 5.392 45 HG3 GLN 12 HG3 GLN 12 -1.864 12.227 4.445 46 HE21 GLN 12 HE21 GLN 12 -1.790 10.168 5.362 47 HE22 GLN 12 HE22 GLN 12 -1.222 9.914 6.974 48 H GLN 13 H GLN 13 -1.306 16.562 2.565 49 HA GLN 13 HA GLN 13 -0.606 14.434 0.689 50 HB2 GLN 13 HB2 GLN 13 -0.796 17.424 0.374 51 HB3 GLN 13 HB3 GLN 13 -0.118 16.379 -0.865 52 HG2 GLN 13 HG2 GLN 13 -2.274 15.152 -0.922 53 HG3 GLN 13 HG3 GLN 13 -2.929 16.347 0.196 54 HE21 GLN 13 HE21 GLN 13 -1.421 18.539 -1.002 55 HE22 GLN 13 HE22 GLN 13 -2.215 18.898 -2.498 56 H LYS 14 H LYS 14 1.336 13.637 0.769 57 HA LYS 14 HA LYS 14 3.567 15.385 1.558 58 HB2 LYS 14 HB2 LYS 14 3.220 12.389 1.707 59 HB3 LYS 14 HB3 LYS 14 4.778 13.174 1.910 60 HG2 LYS 14 HG2 LYS 14 2.364 13.732 3.625 61 HG3 LYS 14 HG3 LYS 14 3.654 12.599 4.040 62 HD2 LYS 14 HD2 LYS 14 5.278 14.486 3.832 63 HD3 LYS 14 HD3 LYS 14 3.908 15.577 3.626 64 HE2 LYS 14 HE2 LYS 14 4.350 13.804 6.022 65 HE3 LYS 14 HE3 LYS 14 4.790 15.507 5.941 66 HZ1 LYS 14 HZ1 LYS 14 2.050 14.389 5.725 67 HZ2 LYS 14 HZ2 LYS 14 2.442 16.023 5.544 68 HZ3 LYS 14 HZ3 LYS 14 2.682 15.258 7.029 69 H ASN 15 H ASN 15 5.406 15.446 0.271 70 HA ASN 15 HA ASN 15 4.951 14.943 -2.518 71 HB2 ASN 15 HB2 ASN 15 7.241 16.148 -0.967 72 HB3 ASN 15 HB3 ASN 15 7.315 15.889 -2.701 73 HD21 ASN 15 HD21 ASN 15 7.494 18.061 -3.144 74 HD22 ASN 15 HD22 ASN 15 6.171 19.161 -2.966 75 H PHE 16 H PHE 16 5.052 12.872 -3.106 76 HA PHE 16 HA PHE 16 7.340 11.280 -2.172 77 HB2 PHE 16 HB2 PHE 16 4.648 10.408 -3.232 78 HB3 PHE 16 HB3 PHE 16 5.971 9.307 -2.878 79 HD1 PHE 16 HD1 PHE 16 6.946 9.566 -0.433 80 HD2 PHE 16 HD2 PHE 16 3.031 10.693 -1.645 81 HE1 PHE 16 HE1 PHE 16 6.176 9.369 1.895 82 HE2 PHE 16 HE2 PHE 16 2.249 10.500 0.680 83 HZ PHE 16 HZ PHE 16 3.825 9.839 2.454 84 H ASN 17 H ASN 17 8.825 10.643 -3.589 85 HA ASN 17 HA ASN 17 8.100 10.310 -6.401 86 HB2 ASN 17 HB2 ASN 17 9.128 12.590 -6.158 87 HB3 ASN 17 HB3 ASN 17 10.584 11.822 -5.543 88 HD21 ASN 17 HD21 ASN 17 10.114 13.486 -7.918 89 HD22 ASN 17 HD22 ASN 17 10.678 12.556 -9.261 90 H ILE 18 H ILE 18 8.358 8.162 -6.454 91 HA ILE 18 HA ILE 18 10.897 7.065 -5.439 92 HB ILE 18 HB ILE 18 8.287 5.550 -5.452 93 HG12 ILE 18 HG12 ILE 18 9.542 7.199 -3.258 94 HG13 ILE 18 HG13 ILE 18 7.907 7.302 -3.896 95 HG21 ILE 18 HG21 ILE 18 9.489 4.038 -3.933 96 HG22 ILE 18 HG22 ILE 18 10.935 5.032 -4.105 97 HG23 ILE 18 HG23 ILE 18 10.284 4.174 -5.501 98 HD11 ILE 18 HD11 ILE 18 7.416 5.100 -2.925 99 HD12 ILE 18 HD12 ILE 18 7.881 6.295 -1.715 100 HD13 ILE 18 HD13 ILE 18 9.037 5.067 -2.231 101 H ALA 19 H ALA 19 12.043 6.640 -7.233 102 HA ALA 19 HA ALA 19 11.012 5.758 -9.707 103 HB1 ALA 19 HB1 ALA 19 13.261 6.690 -9.489 104 HB2 ALA 19 HB2 ALA 19 13.326 5.074 -10.194 105 HB3 ALA 19 HB3 ALA 19 13.747 5.314 -8.498 106 H ALA 20 H ALA 20 10.955 3.614 -10.589 107 HA ALA 20 HA ALA 20 9.771 1.798 -8.797 108 HB1 ALA 20 HB1 ALA 20 9.640 0.280 -10.691 109 HB2 ALA 20 HB2 ALA 20 10.794 1.270 -11.583 110 HB3 ALA 20 HB3 ALA 20 9.203 1.916 -11.180 111 H GLN 21 H GLN 21 10.951 1.026 -7.219 112 HA GLN 21 HA GLN 21 13.445 -0.398 -7.813 113 HB2 GLN 21 HB2 GLN 21 12.282 0.680 -5.237 114 HB3 GLN 21 HB3 GLN 21 13.734 -0.311 -5.309 115 HG2 GLN 21 HG2 GLN 21 14.947 1.338 -6.428 116 HG3 GLN 21 HG3 GLN 21 13.492 2.218 -6.892 117 HE21 GLN 21 HE21 GLN 21 12.501 3.558 -5.421 118 HE22 GLN 21 HE22 GLN 21 13.282 4.076 -3.966 119 HA PRO 22 HA PRO 22 11.668 -4.428 -6.573 120 HB2 PRO 22 HB2 PRO 22 13.496 -4.299 -4.214 121 HB3 PRO 22 HB3 PRO 22 13.232 -5.622 -5.356 122 HG2 PRO 22 HG2 PRO 22 15.431 -4.124 -5.494 123 HG3 PRO 22 HG3 PRO 22 14.615 -4.685 -6.964 124 HD2 PRO 22 HD2 PRO 22 14.640 -1.978 -5.727 125 HD3 PRO 22 HD3 PRO 22 14.570 -2.436 -7.439 126 H LEU 23 H LEU 23 9.939 -4.900 -5.333 127 HA LEU 23 HA LEU 23 8.549 -2.760 -4.246 128 HB2 LEU 23 HB2 LEU 23 7.946 -5.307 -5.021 129 HB3 LEU 23 HB3 LEU 23 7.699 -5.398 -3.291 130 HG LEU 23 HG LEU 23 6.353 -3.449 -5.150 131 HD11 LEU 23 HD11 LEU 23 4.334 -4.744 -4.678 132 HD12 LEU 23 HD12 LEU 23 5.288 -5.880 -3.724 133 HD13 LEU 23 HD13 LEU 23 5.568 -5.730 -5.459 134 HD21 LEU 23 HD21 LEU 23 5.933 -3.940 -2.207 135 HD22 LEU 23 HD22 LEU 23 4.980 -2.858 -3.223 136 HD23 LEU 23 HD23 LEU 23 6.684 -2.510 -2.919 137 H GLN 24 H GLN 24 10.504 -5.187 -2.621 138 HA GLN 24 HA GLN 24 9.652 -4.632 0.017 139 HB2 GLN 24 HB2 GLN 24 12.392 -5.601 -0.814 140 HB3 GLN 24 HB3 GLN 24 11.619 -5.818 0.748 141 HG2 GLN 24 HG2 GLN 24 11.234 -7.868 -0.115 142 HG3 GLN 24 HG3 GLN 24 9.808 -7.046 -0.741 143 HE21 GLN 24 HE21 GLN 24 11.220 -9.387 -1.753 144 HE22 GLN 24 HE22 GLN 24 11.671 -9.005 -3.381 145 H SER 25 H SER 25 12.346 -3.424 -1.929 146 HA SER 25 HA SER 25 13.345 -1.702 0.120 147 HB2 SER 25 HB2 SER 25 13.922 -1.603 -2.846 148 HB3 SER 25 HB3 SER 25 14.927 -0.972 -1.542 149 HG SER 25 HG SER 25 15.201 -3.137 -0.820 150 H ALA 26 H ALA 26 11.104 -1.409 -2.533 151 HA ALA 26 HA ALA 26 11.029 1.347 -2.900 152 HB1 ALA 26 HB1 ALA 26 8.791 0.998 -3.811 153 HB2 ALA 26 HB2 ALA 26 8.733 -0.609 -3.081 154 HB3 ALA 26 HB3 ALA 26 9.898 -0.260 -4.361 155 H MET 27 H MET 27 8.873 -0.614 -0.847 156 HA MET 27 HA MET 27 7.823 1.790 0.382 157 HB2 MET 27 HB2 MET 27 7.223 -1.024 1.263 158 HB3 MET 27 HB3 MET 27 6.224 0.411 1.445 159 HG2 MET 27 HG2 MET 27 6.783 -1.151 -1.053 160 HG3 MET 27 HG3 MET 27 5.239 -0.914 -0.238 161 HE1 MET 27 HE1 MET 27 5.270 0.909 -3.823 162 HE2 MET 27 HE2 MET 27 4.312 -0.208 -2.860 163 HE3 MET 27 HE3 MET 27 5.976 -0.610 -3.277 164 H LEU 28 H LEU 28 10.363 -0.408 0.989 165 HA LEU 28 HA LEU 28 10.684 0.083 3.737 166 HB2 LEU 28 HB2 LEU 28 12.011 -1.556 2.400 167 HB3 LEU 28 HB3 LEU 28 12.857 -0.215 1.652 168 HG LEU 28 HG LEU 28 12.916 -0.549 4.634 169 HD11 LEU 28 HD11 LEU 28 14.704 -1.951 2.650 170 HD12 LEU 28 HD12 LEU 28 13.539 -2.725 3.725 171 HD13 LEU 28 HD13 LEU 28 14.945 -1.899 4.396 172 HD21 LEU 28 HD21 LEU 28 13.799 1.513 3.644 173 HD22 LEU 28 HD22 LEU 28 14.890 0.560 2.639 174 HD23 LEU 28 HD23 LEU 28 15.075 0.553 4.392 175 H ARG 29 H ARG 29 11.797 1.829 0.860 176 HA ARG 29 HA ARG 29 13.011 3.977 2.219 177 HB2 ARG 29 HB2 ARG 29 11.859 3.772 -0.563 178 HB3 ARG 29 HB3 ARG 29 12.734 5.183 0.017 179 HG2 ARG 29 HG2 ARG 29 13.828 2.384 -0.197 180 HG3 ARG 29 HG3 ARG 29 14.174 3.726 -1.289 181 HD2 ARG 29 HD2 ARG 29 15.191 4.969 0.547 182 HD3 ARG 29 HD3 ARG 29 14.812 3.656 1.660 183 HE ARG 29 HE ARG 29 16.513 3.085 -0.646 184 HH11 ARG 29 HH11 ARG 29 16.158 3.493 2.818 185 HH12 ARG 29 HH12 ARG 29 17.715 2.807 3.176 186 HH21 ARG 29 HH21 ARG 29 18.558 2.178 -0.172 187 HH22 ARG 29 HH22 ARG 29 19.082 2.064 1.477 188 H PHE 30 H PHE 30 9.749 3.674 0.814 189 HA PHE 30 HA PHE 30 8.848 6.226 1.561 190 HB2 PHE 30 HB2 PHE 30 7.396 5.226 0.061 191 HB3 PHE 30 HB3 PHE 30 7.490 3.658 0.853 192 HD1 PHE 30 HD2 PHE 30 6.229 7.117 1.464 193 HD2 PHE 30 HD1 PHE 30 5.723 2.948 2.147 194 HE1 PHE 30 HE2 PHE 30 4.134 7.571 2.664 195 HE2 PHE 30 HE1 PHE 30 3.630 3.399 3.357 196 HZ PHE 30 HZ PHE 30 2.840 5.714 3.621 197 H ALA 31 H ALA 31 8.391 3.098 3.187 198 HA ALA 31 HA ALA 31 6.944 4.224 5.345 199 HB1 ALA 31 HB1 ALA 31 8.277 1.539 5.077 200 HB2 ALA 31 HB2 ALA 31 6.597 1.931 4.707 201 HB3 ALA 31 HB3 ALA 31 7.174 2.000 6.372 202 H GLU 32 H GLU 32 10.314 3.909 4.680 203 HA GLU 32 HA GLU 32 11.396 4.087 7.255 204 HB2 GLU 32 HB2 GLU 32 12.275 5.110 4.597 205 HB3 GLU 32 HB3 GLU 32 13.080 5.743 6.023 206 HG2 GLU 32 HG2 GLU 32 13.583 3.398 6.692 207 HG3 GLU 32 HG3 GLU 32 12.929 2.875 5.141 208 H GLN 33 H GLN 33 9.709 6.491 5.369 209 HA GLN 33 HA GLN 33 10.399 8.652 7.170 210 HB2 GLN 33 HB2 GLN 33 8.375 8.579 4.925 211 HB3 GLN 33 HB3 GLN 33 8.962 10.019 5.747 212 HG2 GLN 33 HG2 GLN 33 11.192 9.636 4.874 213 HG3 GLN 33 HG3 GLN 33 10.645 8.151 4.096 214 HE21 GLN 33 HE21 GLN 33 11.209 8.890 2.055 215 HE22 GLN 33 HE22 GLN 33 10.295 10.109 1.233 216 H ALA 34 H ALA 34 7.772 6.433 6.634 217 HA ALA 34 HA ALA 34 5.919 7.930 8.274 218 HB1 ALA 34 HB1 ALA 34 4.305 6.242 7.683 219 HB2 ALA 34 HB2 ALA 34 5.573 5.211 7.023 220 HB3 ALA 34 HB3 ALA 34 5.184 6.741 6.236 221 H GLY 35 H GLY 35 8.103 5.262 8.637 222 HA2 GLY 35 HA2 GLY 35 8.868 4.571 10.789 223 HA3 GLY 35 HA3 GLY 35 7.318 5.053 11.461 224 H MET 36 H MET 36 7.769 3.132 8.560 225 HA MET 36 HA MET 36 6.698 0.789 9.957 226 HB2 MET 36 HB2 MET 36 5.541 2.038 7.461 227 HB3 MET 36 HB3 MET 36 5.149 0.413 8.002 228 HG2 MET 36 HG2 MET 36 3.565 1.229 9.305 229 HG3 MET 36 HG3 MET 36 4.768 2.161 10.194 230 HE1 MET 36 HE1 MET 36 2.138 2.174 7.282 231 HE2 MET 36 HE2 MET 36 3.651 2.470 6.424 232 HE3 MET 36 HE3 MET 36 2.438 3.746 6.538 233 H GLN 37 H GLN 37 6.610 -1.107 8.294 234 HA GLN 37 HA GLN 37 8.702 -1.020 6.279 235 HB2 GLN 37 HB2 GLN 37 9.817 -1.612 8.450 236 HB3 GLN 37 HB3 GLN 37 8.779 -3.026 8.543 237 HG2 GLN 37 HG2 GLN 37 9.754 -3.873 6.469 238 HG3 GLN 37 HG3 GLN 37 10.811 -2.461 6.392 239 HE21 GLN 37 HE21 GLN 37 12.505 -2.277 7.863 240 HE22 GLN 37 HE22 GLN 37 13.065 -3.627 8.787 241 H VAL 38 H VAL 38 8.645 -3.035 4.936 242 HA VAL 38 HA VAL 38 5.904 -3.773 4.461 243 HB VAL 38 HB VAL 38 8.418 -4.785 3.109 244 HG11 VAL 38 HG11 VAL 38 6.928 -5.462 1.292 245 HG12 VAL 38 HG12 VAL 38 5.534 -4.934 2.234 246 HG13 VAL 38 HG13 VAL 38 6.517 -6.286 2.797 247 HG21 VAL 38 HG21 VAL 38 6.525 -2.580 2.307 248 HG22 VAL 38 HG22 VAL 38 7.862 -3.189 1.329 249 HG23 VAL 38 HG23 VAL 38 8.187 -2.377 2.862 250 H PHE 39 H PHE 39 4.893 -5.622 4.997 251 HA PHE 39 HA PHE 39 6.505 -7.716 6.296 252 HB2 PHE 39 HB2 PHE 39 5.094 -6.493 7.908 253 HB3 PHE 39 HB3 PHE 39 3.670 -6.896 6.956 254 HD1 PHE 39 HD1 PHE 39 6.423 -8.374 8.938 255 HD2 PHE 39 HD2 PHE 39 2.544 -8.923 7.280 256 HE1 PHE 39 HE1 PHE 39 6.183 -10.467 10.202 257 HE2 PHE 39 HE2 PHE 39 2.295 -11.019 8.543 258 HZ PHE 39 HZ PHE 39 4.117 -11.794 10.007 259 H PHE 40 H PHE 40 6.450 -9.615 5.359 260 HA PHE 40 HA PHE 40 4.500 -10.172 3.275 261 HB2 PHE 40 HB2 PHE 40 7.014 -11.565 4.197 262 HB3 PHE 40 HB3 PHE 40 5.927 -12.278 3.014 263 HD1 PHE 40 HD1 PHE 40 7.531 -8.939 3.574 264 HD2 PHE 40 HD2 PHE 40 6.596 -12.074 0.854 265 HE1 PHE 40 HE1 PHE 40 8.684 -7.719 1.775 266 HE2 PHE 40 HE2 PHE 40 7.740 -10.858 -0.947 267 HZ PHE 40 HZ PHE 40 8.786 -8.683 -0.490 268 H ASP 41 H ASP 41 2.578 -10.736 4.183 269 HA ASP 41 HA ASP 41 2.479 -12.599 6.389 270 HB2 ASP 41 HB2 ASP 41 0.819 -10.739 6.148 271 HB3 ASP 41 HB3 ASP 41 0.181 -11.556 4.724 272 H GLU 42 H GLU 42 0.839 -12.657 3.247 273 HA GLU 42 HA GLU 42 1.940 -15.331 2.785 274 HB2 GLU 42 HB2 GLU 42 -0.962 -14.551 2.532 275 HB3 GLU 42 HB3 GLU 42 -0.283 -15.957 1.727 276 HG2 GLU 42 HG2 GLU 42 0.378 -16.852 3.924 277 HG3 GLU 42 HG3 GLU 42 -0.406 -15.472 4.691 278 H VAL 43 H VAL 43 3.389 -14.354 1.363 279 HA VAL 43 HA VAL 43 2.403 -14.099 -1.293 280 HB VAL 43 HB VAL 43 1.806 -11.866 -0.643 281 HG11 VAL 43 HG11 VAL 43 4.650 -11.512 0.288 282 HG12 VAL 43 HG12 VAL 43 3.218 -11.599 1.313 283 HG13 VAL 43 HG13 VAL 43 3.429 -10.243 0.206 284 HG21 VAL 43 HG21 VAL 43 3.152 -10.541 -2.207 285 HG22 VAL 43 HG22 VAL 43 2.717 -12.113 -2.878 286 HG23 VAL 43 HG23 VAL 43 4.348 -11.837 -2.264 287 H LYS 44 H LYS 44 3.853 -15.095 -2.453 288 HA LYS 44 HA LYS 44 6.701 -14.647 -1.869 289 HB2 LYS 44 HB2 LYS 44 5.935 -16.930 -1.191 290 HB3 LYS 44 HB3 LYS 44 5.482 -17.230 -2.862 291 HG2 LYS 44 HG2 LYS 44 7.815 -16.925 -3.541 292 HG3 LYS 44 HG3 LYS 44 8.261 -16.654 -1.857 293 HD2 LYS 44 HD2 LYS 44 8.770 -18.928 -2.415 294 HD3 LYS 44 HD3 LYS 44 7.383 -18.923 -1.326 295 HE2 LYS 44 HE2 LYS 44 7.010 -20.510 -3.105 296 HE3 LYS 44 HE3 LYS 44 5.890 -19.161 -3.275 297 HZ1 LYS 44 HZ1 LYS 44 8.397 -19.545 -4.816 298 HZ2 LYS 44 HZ2 LYS 44 7.350 -18.230 -4.977 299 HZ3 LYS 44 HZ3 LYS 44 6.829 -19.781 -5.400 300 H LEU 45 H LEU 45 6.889 -13.077 -3.431 301 HA LEU 45 HA LEU 45 6.660 -14.032 -6.205 302 HB2 LEU 45 HB2 LEU 45 5.985 -11.260 -5.208 303 HB3 LEU 45 HB3 LEU 45 6.022 -11.748 -6.889 304 HG LEU 45 HG LEU 45 4.123 -12.853 -4.818 305 HD11 LEU 45 HD11 LEU 45 3.679 -10.834 -7.012 306 HD12 LEU 45 HD12 LEU 45 3.657 -10.514 -5.278 307 HD13 LEU 45 HD13 LEU 45 2.420 -11.544 -6.000 308 HD21 LEU 45 HD21 LEU 45 4.232 -13.201 -7.811 309 HD22 LEU 45 HD22 LEU 45 2.967 -13.813 -6.748 310 HD23 LEU 45 HD23 LEU 45 4.611 -14.434 -6.609 311 H ASP 46 H ASP 46 8.809 -14.414 -6.516 312 HA ASP 46 HA ASP 46 10.827 -12.574 -5.664 313 HB2 ASP 46 HB2 ASP 46 12.385 -13.966 -6.947 314 HB3 ASP 46 HB3 ASP 46 11.344 -14.963 -5.942 315 H GLY 47 H GLY 47 11.650 -10.868 -6.703 316 HA2 GLY 47 HA2 GLY 47 12.167 -9.487 -8.515 317 HA3 GLY 47 HA3 GLY 47 11.217 -10.537 -9.556 318 H MET 48 H MET 48 9.781 -9.489 -6.604 319 HA MET 48 HA MET 48 7.690 -8.127 -7.969 320 HB2 MET 48 HB2 MET 48 6.887 -7.512 -5.705 321 HB3 MET 48 HB3 MET 48 7.196 -9.233 -5.879 322 HG2 MET 48 HG2 MET 48 9.175 -9.106 -4.601 323 HG3 MET 48 HG3 MET 48 9.194 -7.347 -4.670 324 HE1 MET 48 HE1 MET 48 5.940 -9.490 -4.052 325 HE2 MET 48 HE2 MET 48 6.011 -9.717 -2.304 326 HE3 MET 48 HE3 MET 48 7.218 -10.476 -3.342 327 H GLN 49 H GLN 49 7.375 -6.011 -8.347 328 HA GLN 49 HA GLN 49 9.419 -4.120 -7.408 329 HB2 GLN 49 HB2 GLN 49 8.399 -4.405 -10.240 330 HB3 GLN 49 HB3 GLN 49 9.423 -3.095 -9.673 331 HG2 GLN 49 HG2 GLN 49 11.185 -4.706 -9.141 332 HG3 GLN 49 HG3 GLN 49 10.157 -6.014 -9.725 333 HE21 GLN 49 HE21 GLN 49 11.653 -6.594 -11.293 334 HE22 GLN 49 HE22 GLN 49 11.906 -5.646 -12.718 335 H ALA 50 H ALA 50 8.758 -1.845 -7.759 336 HA ALA 50 HA ALA 50 5.862 -1.535 -7.334 337 HB1 ALA 50 HB1 ALA 50 6.415 0.560 -6.201 338 HB2 ALA 50 HB2 ALA 50 8.125 0.299 -6.542 339 HB3 ALA 50 HB3 ALA 50 7.263 -0.802 -5.467 340 H ALA 51 H ALA 51 5.005 0.619 -8.115 341 HA ALA 51 HA ALA 51 5.786 0.956 -10.894 342 HB1 ALA 51 HB1 ALA 51 3.765 2.290 -11.090 343 HB2 ALA 51 HB2 ALA 51 3.543 2.243 -9.341 344 HB3 ALA 51 HB3 ALA 51 3.414 0.760 -10.286 345 H ALA 52 H ALA 52 5.819 3.249 -11.761 346 HA ALA 52 HA ALA 52 7.857 4.701 -10.375 347 HB1 ALA 52 HB1 ALA 52 7.840 4.539 -12.815 348 HB2 ALA 52 HB2 ALA 52 7.792 6.220 -12.283 349 HB3 ALA 52 HB3 ALA 52 6.324 5.437 -12.866 350 H LEU 53 H LEU 53 6.970 5.377 -8.464 351 HA LEU 53 HA LEU 53 4.529 6.901 -8.370 352 HB2 LEU 53 HB2 LEU 53 5.369 5.314 -6.593 353 HB3 LEU 53 HB3 LEU 53 6.603 6.492 -6.214 354 HG LEU 53 HG LEU 53 4.692 6.493 -4.635 355 HD11 LEU 53 HD11 LEU 53 5.042 9.037 -6.191 356 HD12 LEU 53 HD12 LEU 53 6.052 8.474 -4.857 357 HD13 LEU 53 HD13 LEU 53 4.363 8.900 -4.569 358 HD21 LEU 53 HD21 LEU 53 2.559 7.420 -5.304 359 HD22 LEU 53 HD22 LEU 53 2.921 5.965 -6.235 360 HD23 LEU 53 HD23 LEU 53 3.120 7.557 -6.969 361 H ASN 54 H ASN 54 4.405 9.010 -8.779 362 HA ASN 54 HA ASN 54 6.390 10.812 -7.692 363 HB2 ASN 54 HB2 ASN 54 7.316 10.355 -9.927 364 HB3 ASN 54 HB3 ASN 54 5.778 10.804 -10.662 365 HD21 ASN 54 HD21 ASN 54 6.597 12.495 -11.844 366 HD22 ASN 54 HD22 ASN 54 7.175 13.958 -11.123 367 H GLY 55 H GLY 55 4.882 11.784 -6.408 368 HA2 GLY 55 HA2 GLY 55 3.286 13.798 -7.504 369 HA3 GLY 55 HA3 GLY 55 2.250 12.410 -7.217 370 H SER 56 H SER 56 1.939 14.900 -5.960 371 HA SER 56 HA SER 56 2.719 14.396 -3.193 372 HB2 SER 56 HB2 SER 56 1.474 16.598 -2.826 373 HB3 SER 56 HB3 SER 56 2.931 16.688 -3.817 374 HG SER 56 HG SER 56 1.756 17.309 -5.441 375 H MET 57 H MET 57 1.464 13.105 -2.003 376 HA MET 57 HA MET 57 -1.413 13.202 -2.188 377 HB2 MET 57 HB2 MET 57 -1.698 10.872 -2.890 378 HB3 MET 57 HB3 MET 57 -0.868 11.804 -4.128 379 HG2 MET 57 HG2 MET 57 1.290 10.896 -3.128 380 HG3 MET 57 HG3 MET 57 0.268 9.754 -2.258 381 HE1 MET 57 HE1 MET 57 1.683 10.940 -5.638 382 HE2 MET 57 HE2 MET 57 -0.029 11.207 -5.968 383 HE3 MET 57 HE3 MET 57 0.845 9.938 -6.823 384 H SER 58 H SER 58 -2.258 11.120 -0.874 385 HA SER 58 HA SER 58 -0.819 11.233 1.665 386 HB2 SER 58 HB2 SER 58 -3.564 10.089 1.088 387 HB3 SER 58 HB3 SER 58 -2.880 10.470 2.667 388 HG SER 58 HG SER 58 -2.741 12.700 1.832 389 H VAL 59 H VAL 59 -0.946 9.086 2.966 390 HA VAL 59 HA VAL 59 0.640 7.158 1.742 391 HB VAL 59 HB VAL 59 -1.228 6.756 4.082 392 HG11 VAL 59 HG11 VAL 59 1.129 5.156 3.109 393 HG12 VAL 59 HG12 VAL 59 -0.543 4.623 3.252 394 HG13 VAL 59 HG13 VAL 59 0.401 4.965 4.703 395 HG21 VAL 59 HG21 VAL 59 0.306 8.603 4.465 396 HG22 VAL 59 HG22 VAL 59 1.672 7.586 4.007 397 HG23 VAL 59 HG23 VAL 59 0.749 7.220 5.465 398 H GLU 60 H GLU 60 -2.840 7.088 2.345 399 HA GLU 60 HA GLU 60 -3.430 4.595 1.319 400 HB2 GLU 60 HB2 GLU 60 -5.093 7.112 1.191 401 HB3 GLU 60 HB3 GLU 60 -5.707 5.483 0.958 402 HG2 GLU 60 HG2 GLU 60 -5.063 4.908 3.236 403 HG3 GLU 60 HG3 GLU 60 -4.433 6.537 3.472 404 H GLN 61 H GLN 61 -3.638 7.689 -0.426 405 HA GLN 61 HA GLN 61 -4.229 6.561 -2.936 406 HB2 GLN 61 HB2 GLN 61 -2.949 9.216 -2.277 407 HB3 GLN 61 HB3 GLN 61 -3.621 8.776 -3.841 408 HG2 GLN 61 HG2 GLN 61 -5.828 8.609 -2.896 409 HG3 GLN 61 HG3 GLN 61 -5.191 8.908 -1.279 410 HE21 GLN 61 HE21 GLN 61 -4.027 10.572 -4.115 411 HE22 GLN 61 HE22 GLN 61 -4.664 12.127 -3.702 412 H GLY 62 H GLY 62 -1.204 7.386 -1.353 413 HA2 GLY 62 HA2 GLY 62 0.507 7.160 -3.572 414 HA3 GLY 62 HA3 GLY 62 0.981 6.973 -1.890 415 H LEU 63 H LEU 63 -0.254 4.778 -1.050 416 HA LEU 63 HA LEU 63 1.342 2.717 -2.042 417 HB2 LEU 63 HB2 LEU 63 -0.917 2.958 -0.160 418 HB3 LEU 63 HB3 LEU 63 -0.598 1.359 -0.781 419 HG LEU 63 HG LEU 63 0.498 1.718 1.367 420 HD11 LEU 63 HD11 LEU 63 1.536 0.224 -0.287 421 HD12 LEU 63 HD12 LEU 63 2.712 0.975 0.787 422 HD13 LEU 63 HD13 LEU 63 2.519 1.572 -0.861 423 HD21 LEU 63 HD21 LEU 63 2.327 3.306 1.600 424 HD22 LEU 63 HD22 LEU 63 0.817 4.132 1.214 425 HD23 LEU 63 HD23 LEU 63 2.036 3.892 -0.038 426 H ARG 64 H ARG 64 -2.013 3.537 -2.715 427 HA ARG 64 HA ARG 64 -2.759 1.313 -4.192 428 HB2 ARG 64 HB2 ARG 64 -3.594 4.193 -4.546 429 HB3 ARG 64 HB3 ARG 64 -4.392 2.831 -5.323 430 HG2 ARG 64 HG2 ARG 64 -5.027 1.930 -3.176 431 HG3 ARG 64 HG3 ARG 64 -4.141 3.210 -2.347 432 HD2 ARG 64 HD2 ARG 64 -6.514 3.706 -2.379 433 HD3 ARG 64 HD3 ARG 64 -5.629 4.878 -3.354 434 HE ARG 64 HE ARG 64 -6.464 2.881 -5.082 435 HH11 ARG 64 HH11 ARG 64 -7.929 5.258 -2.980 436 HH12 ARG 64 HH12 ARG 64 -9.376 5.397 -3.925 437 HH21 ARG 64 HH21 ARG 64 -8.362 3.047 -6.345 438 HH22 ARG 64 HH22 ARG 64 -9.616 4.149 -5.848 439 H ARG 65 H ARG 65 -1.173 4.268 -5.326 440 HA ARG 65 HA ARG 65 -0.936 3.261 -8.017 441 HB2 ARG 65 HB2 ARG 65 -1.156 5.634 -7.746 442 HB3 ARG 65 HB3 ARG 65 0.191 5.689 -6.618 443 HG2 ARG 65 HG2 ARG 65 1.726 5.080 -8.420 444 HG3 ARG 65 HG3 ARG 65 0.373 5.029 -9.551 445 HD2 ARG 65 HD2 ARG 65 -0.005 7.357 -9.344 446 HD3 ARG 65 HD3 ARG 65 1.069 7.478 -7.950 447 HE ARG 65 HE ARG 65 2.570 6.519 -10.098 448 HH11 ARG 65 HH11 ARG 65 0.827 9.436 -9.238 449 HH12 ARG 65 HH12 ARG 65 1.886 10.484 -10.132 450 HH21 ARG 65 HH21 ARG 65 3.978 7.885 -11.249 451 HH22 ARG 65 HH22 ARG 65 3.669 9.595 -11.299 452 H LEU 66 H LEU 66 0.945 3.269 -5.125 453 HA LEU 66 HA LEU 66 3.496 2.894 -6.301 454 HB2 LEU 66 HB2 LEU 66 2.348 3.081 -3.651 455 HB3 LEU 66 HB3 LEU 66 3.620 1.882 -3.710 456 HG LEU 66 HG LEU 66 3.940 4.753 -4.597 457 HD11 LEU 66 HD11 LEU 66 3.508 4.613 -2.198 458 HD12 LEU 66 HD12 LEU 66 5.180 5.069 -2.522 459 HD13 LEU 66 HD13 LEU 66 4.796 3.418 -2.032 460 HD21 LEU 66 HD21 LEU 66 5.454 3.076 -5.651 461 HD22 LEU 66 HD22 LEU 66 6.036 2.663 -4.039 462 HD23 LEU 66 HD23 LEU 66 6.284 4.287 -4.677 463 H ILE 67 H ILE 67 1.175 0.577 -4.842 464 HA ILE 67 HA ILE 67 3.160 -1.519 -5.190 465 HB ILE 67 HB ILE 67 0.426 -1.594 -3.924 466 HG12 ILE 67 HG12 ILE 67 3.212 -1.751 -2.759 467 HG13 ILE 67 HG13 ILE 67 2.118 -0.378 -2.635 468 HG21 ILE 67 HG21 ILE 67 2.483 -3.796 -4.118 469 HG22 ILE 67 HG22 ILE 67 0.911 -3.764 -4.916 470 HG23 ILE 67 HG23 ILE 67 1.005 -3.855 -3.157 471 HD11 ILE 67 HD11 ILE 67 2.199 -1.708 -0.583 472 HD12 ILE 67 HD12 ILE 67 1.619 -3.113 -1.478 473 HD13 ILE 67 HD13 ILE 67 0.588 -1.693 -1.299 474 H GLY 68 H GLY 68 -0.316 -1.249 -6.129 475 HA2 GLY 68 HA2 GLY 68 0.310 -3.477 -7.954 476 HA3 GLY 68 HA3 GLY 68 -1.201 -3.335 -7.084 477 H GLY 69 H GLY 69 -2.166 -0.934 -7.614 478 HA2 GLY 69 HA2 GLY 69 -3.310 0.175 -9.324 479 HA3 GLY 69 HA3 GLY 69 -2.350 -0.705 -10.510 480 H ASN 70 H ASN 70 -2.902 -3.190 -8.961 481 HA ASN 70 HA ASN 70 -5.589 -3.789 -9.965 482 HB2 ASN 70 HB2 ASN 70 -4.921 -6.151 -9.795 483 HB3 ASN 70 HB3 ASN 70 -3.768 -5.251 -10.771 484 HD21 ASN 70 HD21 ASN 70 -1.692 -4.919 -10.001 485 HD22 ASN 70 HD22 ASN 70 -1.055 -5.785 -8.643 486 HA PRO 71 HA PRO 71 -7.312 -3.887 -5.940 487 HB2 PRO 71 HB2 PRO 71 -8.915 -6.112 -6.018 488 HB3 PRO 71 HB3 PRO 71 -9.329 -4.564 -6.762 489 HG2 PRO 71 HG2 PRO 71 -8.181 -7.024 -8.015 490 HG3 PRO 71 HG3 PRO 71 -9.436 -5.932 -8.631 491 HD2 PRO 71 HD2 PRO 71 -6.898 -5.819 -9.514 492 HD3 PRO 71 HD3 PRO 71 -7.896 -4.361 -9.347 493 H VAL 72 H VAL 72 -5.538 -4.276 -4.665 494 HA VAL 72 HA VAL 72 -5.614 -6.859 -3.324 495 HB VAL 72 HB VAL 72 -3.688 -6.996 -4.891 496 HG11 VAL 72 HG11 VAL 72 -2.607 -4.652 -3.345 497 HG12 VAL 72 HG12 VAL 72 -3.116 -4.647 -5.034 498 HG13 VAL 72 HG13 VAL 72 -1.715 -5.598 -4.537 499 HG21 VAL 72 HG21 VAL 72 -1.997 -7.654 -3.241 500 HG22 VAL 72 HG22 VAL 72 -3.605 -8.234 -2.810 501 HG23 VAL 72 HG23 VAL 72 -2.921 -6.837 -1.981 502 H ALA 73 H ALA 73 -4.972 -6.654 -1.065 503 HA ALA 73 HA ALA 73 -5.753 -3.954 -0.236 504 HB1 ALA 73 HB1 ALA 73 -6.561 -4.983 1.810 505 HB2 ALA 73 HB2 ALA 73 -5.922 -6.544 1.294 506 HB3 ALA 73 HB3 ALA 73 -7.238 -5.788 0.395 507 H PHE 74 H PHE 74 -4.617 -2.737 1.150 508 HA PHE 74 HA PHE 74 -2.220 -3.928 2.373 509 HB2 PHE 74 HB2 PHE 74 -1.002 -1.861 2.107 510 HB3 PHE 74 HB3 PHE 74 -1.624 -2.344 0.538 511 HD1 PHE 74 HD1 PHE 74 -4.022 -1.267 -0.008 512 HD2 PHE 74 HD2 PHE 74 -1.138 0.355 2.665 513 HE1 PHE 74 HE1 PHE 74 -5.010 0.960 -0.306 514 HE2 PHE 74 HE2 PHE 74 -2.119 2.601 2.366 515 HZ PHE 74 HZ PHE 74 -4.066 2.891 0.881 516 H ARG 75 H ARG 75 -2.033 -3.710 4.513 517 HA ARG 75 HA ARG 75 -4.033 -2.019 5.849 518 HB2 ARG 75 HB2 ARG 75 -2.638 -4.497 6.872 519 HB3 ARG 75 HB3 ARG 75 -3.798 -3.536 7.781 520 HG2 ARG 75 HG2 ARG 75 -5.511 -4.050 6.083 521 HG3 ARG 75 HG3 ARG 75 -4.341 -5.075 5.249 522 HD2 ARG 75 HD2 ARG 75 -5.780 -6.438 6.627 523 HD3 ARG 75 HD3 ARG 75 -4.143 -6.455 7.278 524 HE ARG 75 HE ARG 75 -5.553 -4.419 8.566 525 HH11 ARG 75 HH11 ARG 75 -5.606 -7.909 8.321 526 HH12 ARG 75 HH12 ARG 75 -6.278 -8.136 9.903 527 HH21 ARG 75 HH21 ARG 75 -6.416 -4.717 10.661 528 HH22 ARG 75 HH22 ARG 75 -6.740 -6.325 11.234 529 H LEU 76 H LEU 76 -3.255 -0.229 6.636 530 HA LEU 76 HA LEU 76 -0.432 0.075 7.233 531 HB2 LEU 76 HB2 LEU 76 -2.701 2.050 7.511 532 HB3 LEU 76 HB3 LEU 76 -0.990 2.422 7.570 533 HG LEU 76 HG LEU 76 -2.377 1.314 5.132 534 HD11 LEU 76 HD11 LEU 76 -2.275 3.587 4.246 535 HD12 LEU 76 HD12 LEU 76 -1.656 4.163 5.793 536 HD13 LEU 76 HD13 LEU 76 -3.287 3.501 5.688 537 HD21 LEU 76 HD21 LEU 76 0.336 2.567 5.532 538 HD22 LEU 76 HD22 LEU 76 -0.349 2.079 3.982 539 HD23 LEU 76 HD23 LEU 76 0.011 0.865 5.209 540 H GLN 77 H GLN 77 0.075 -0.941 9.127 541 HA GLN 77 HA GLN 77 -1.728 -0.522 11.403 542 HB2 GLN 77 HB2 GLN 77 0.396 -2.624 10.973 543 HB3 GLN 77 HB3 GLN 77 -0.605 -2.484 12.412 544 HG2 GLN 77 HG2 GLN 77 -2.606 -2.798 10.974 545 HG3 GLN 77 HG3 GLN 77 -1.527 -3.096 9.614 546 HE21 GLN 77 HE21 GLN 77 -3.512 -4.823 10.861 547 HE22 GLN 77 HE22 GLN 77 -2.665 -6.250 11.347 548 HA PRO 78 HA PRO 78 1.172 2.276 13.196 549 HB2 PRO 78 HB2 PRO 78 0.218 2.184 15.752 550 HB3 PRO 78 HB3 PRO 78 -0.565 3.087 14.450 551 HG2 PRO 78 HG2 PRO 78 -1.221 0.376 15.535 552 HG3 PRO 78 HG3 PRO 78 -2.317 1.702 15.098 553 HD2 PRO 78 HD2 PRO 78 -1.913 -0.403 13.474 554 HD3 PRO 78 HD3 PRO 78 -2.181 1.232 12.838 555 H GLN 79 H GLN 79 0.971 -1.016 13.877 556 HA GLN 79 HA GLN 79 2.918 -1.272 15.915 557 HB2 GLN 79 HB2 GLN 79 2.121 -3.188 13.710 558 HB3 GLN 79 HB3 GLN 79 3.147 -3.608 15.075 559 HG2 GLN 79 HG2 GLN 79 1.320 -3.151 16.611 560 HG3 GLN 79 HG3 GLN 79 0.294 -2.672 15.261 561 HE21 GLN 79 HE21 GLN 79 -1.224 -4.257 15.743 562 HE22 GLN 79 HE22 GLN 79 -0.939 -5.935 15.426 563 H GLY 80 H GLY 80 3.113 -0.259 12.706 564 HA2 GLY 80 HA2 GLY 80 5.090 0.770 11.884 565 HA3 GLY 80 HA3 GLY 80 6.040 -0.325 12.877 566 H GLN 81 H GLN 81 3.380 -1.265 10.758 567 HA GLN 81 HA GLN 81 5.263 -2.353 8.833 568 HB2 GLN 81 HB2 GLN 81 4.377 -4.628 9.001 569 HB3 GLN 81 HB3 GLN 81 5.121 -4.119 10.509 570 HG2 GLN 81 HG2 GLN 81 2.908 -3.656 11.442 571 HG3 GLN 81 HG3 GLN 81 2.167 -4.176 9.929 572 HE21 GLN 81 HE21 GLN 81 1.812 -5.254 12.596 573 HE22 GLN 81 HE22 GLN 81 2.279 -6.915 12.519 574 H ILE 82 H ILE 82 4.416 -2.737 6.839 575 HA ILE 82 HA ILE 82 1.589 -2.022 6.429 576 HB ILE 82 HB ILE 82 3.774 -2.222 4.336 577 HG12 ILE 82 HG12 ILE 82 2.630 0.261 5.642 578 HG13 ILE 82 HG13 ILE 82 4.225 -0.408 5.970 579 HG21 ILE 82 HG21 ILE 82 0.986 -1.065 4.234 580 HG22 ILE 82 HG22 ILE 82 1.543 -2.535 3.434 581 HG23 ILE 82 HG23 ILE 82 2.175 -0.964 2.934 582 HD11 ILE 82 HD11 ILE 82 4.870 -0.001 3.651 583 HD12 ILE 82 HD12 ILE 82 4.352 1.482 4.453 584 HD13 ILE 82 HD13 ILE 82 3.270 0.665 3.324 585 H VAL 83 H VAL 83 0.487 -3.885 6.687 586 HA VAL 83 HA VAL 83 1.615 -6.391 5.734 587 HB VAL 83 HB VAL 83 -1.008 -5.888 7.153 588 HG11 VAL 83 HG11 VAL 83 0.493 -8.456 6.654 589 HG12 VAL 83 HG12 VAL 83 -1.014 -7.966 5.882 590 HG13 VAL 83 HG13 VAL 83 -0.976 -8.293 7.615 591 HG21 VAL 83 HG21 VAL 83 0.129 -6.716 9.156 592 HG22 VAL 83 HG22 VAL 83 0.887 -5.249 8.539 593 HG23 VAL 83 HG23 VAL 83 1.641 -6.816 8.253 594 H LEU 84 H LEU 84 1.275 -7.031 3.717 595 HA LEU 84 HA LEU 84 -0.901 -5.990 2.143 596 HB2 LEU 84 HB2 LEU 84 1.393 -6.613 1.247 597 HB3 LEU 84 HB3 LEU 84 0.924 -8.291 1.447 598 HG LEU 84 HG LEU 84 -1.033 -7.813 -0.086 599 HD11 LEU 84 HD11 LEU 84 -1.084 -5.402 0.104 600 HD12 LEU 84 HD12 LEU 84 -0.798 -5.868 -1.573 601 HD13 LEU 84 HD13 LEU 84 0.538 -5.288 -0.580 602 HD21 LEU 84 HD21 LEU 84 1.741 -7.474 -1.214 603 HD22 LEU 84 HD22 LEU 84 0.308 -7.978 -2.110 604 HD23 LEU 84 HD23 LEU 84 0.956 -9.007 -0.835 605 H SER 85 H SER 85 -2.776 -7.029 1.602 606 HA SER 85 HA SER 85 -3.230 -9.730 2.633 607 HB2 SER 85 HB2 SER 85 -4.966 -7.344 3.326 608 HB3 SER 85 HB3 SER 85 -5.305 -9.019 3.759 609 HG SER 85 HG SER 85 -2.807 -8.306 4.505 610 H ARG 86 H ARG 86 -5.422 -10.544 1.889 611 HA ARG 86 HA ARG 86 -5.898 -9.559 -0.829 612 HB2 ARG 86 HB2 ARG 86 -6.770 -11.771 -1.320 613 HB3 ARG 86 HB3 ARG 86 -5.147 -11.892 -0.668 614 HG2 ARG 86 HG2 ARG 86 -6.009 -12.578 1.471 615 HG3 ARG 86 HG3 ARG 86 -7.667 -12.322 0.923 616 HD2 ARG 86 HD2 ARG 86 -7.336 -14.063 -0.790 617 HD3 ARG 86 HD3 ARG 86 -5.712 -14.344 -0.165 618 HE ARG 86 HE ARG 86 -7.435 -14.608 1.982 619 HH11 ARG 86 HH11 ARG 86 -6.918 -16.194 -1.094 620 HH12 ARG 86 HH12 ARG 86 -7.507 -17.729 -0.542 621 HH21 ARG 86 HH21 ARG 86 -8.211 -16.621 2.705 622 HH22 ARG 86 HH22 ARG 86 -8.235 -17.977 1.620 623 H LEU 87 H LEU 87 -8.156 -9.830 -1.600 624 HA LEU 87 HA LEU 87 -10.156 -9.494 0.510 625 HB2 LEU 87 HB2 LEU 87 -11.163 -7.603 -0.690 626 HB3 LEU 87 HB3 LEU 87 -9.544 -7.239 -0.133 627 HG LEU 87 HG LEU 87 -10.030 -8.121 -2.968 628 HD11 LEU 87 HD11 LEU 87 -10.173 -5.763 -3.602 629 HD12 LEU 87 HD12 LEU 87 -10.177 -5.303 -1.899 630 HD13 LEU 87 HD13 LEU 87 -11.522 -6.231 -2.565 631 HD21 LEU 87 HD21 LEU 87 -7.720 -8.081 -2.135 632 HD22 LEU 87 HD22 LEU 87 -7.916 -6.386 -1.691 633 HD23 LEU 87 HD23 LEU 87 -7.986 -6.867 -3.386 634 HA PRO 88 HA PRO 88 -12.457 -12.199 -2.143 635 HB2 PRO 88 HB2 PRO 88 -14.961 -11.751 -1.218 636 HB3 PRO 88 HB3 PRO 88 -13.755 -12.656 -0.296 637 HG2 PRO 88 HG2 PRO 88 -14.606 -9.802 -0.014 638 HG3 PRO 88 HG3 PRO 88 -14.276 -11.004 1.248 639 HD2 PRO 88 HD2 PRO 88 -12.487 -9.085 0.519 640 HD3 PRO 88 HD3 PRO 88 -12.006 -10.674 1.147 641 H THR 89 H THR 89 -11.743 -10.367 -3.763 642 HA THR 89 HA THR 89 -13.592 -8.422 -4.609 643 HB THR 89 HB THR 89 -11.555 -9.718 -6.410 644 HG1 THR 89 HG1 THR 89 -9.973 -8.739 -5.327 645 HG21 THR 89 HG21 THR 89 -13.030 -8.027 -7.407 646 HG22 THR 89 HG22 THR 89 -11.366 -7.449 -7.322 647 HG23 THR 89 HG23 THR 89 -12.559 -6.877 -6.155 648 H ALA 90 H ALA 90 -15.589 -8.967 -5.227 649 HA ALA 90 HA ALA 90 -16.076 -11.333 -6.836 650 HB1 ALA 90 HB1 ALA 90 -17.998 -9.224 -5.855 651 HB2 ALA 90 HB2 ALA 90 -17.633 -10.739 -5.034 652 HB3 ALA 90 HB3 ALA 90 -18.430 -10.760 -6.604 653 H ASN 91 H ASN 91 -17.542 -11.052 -8.762 654 HA ASN 91 HA ASN 91 -16.807 -8.636 -10.280 655 HB2 ASN 91 HB2 ASN 91 -15.563 -10.687 -11.005 656 HB3 ASN 91 HB3 ASN 91 -17.106 -11.426 -11.415 657 HD21 ASN 91 HD21 ASN 91 -14.808 -8.950 -12.229 658 HD22 ASN 91 HD22 ASN 91 -15.401 -8.639 -13.824 659 H GLY 92 H GLY 92 -19.242 -10.871 -9.302 660 HA2 GLY 92 HA2 GLY 92 -21.165 -9.742 -11.210 661 HA3 GLY 92 HA3 GLY 92 -21.399 -11.201 -10.262 662 H ASP 93 H ASP 93 -20.069 -8.790 -8.356 663 HA ASP 93 HA ASP 93 -22.545 -8.501 -6.912 664 HB2 ASP 93 HB2 ASP 93 -21.259 -7.339 -5.236 665 HB3 ASP 93 HB3 ASP 93 -20.347 -8.751 -5.757 666 H GLY 94 H GLY 94 -20.719 -6.693 -9.206 667 HA2 GLY 94 HA2 GLY 94 -21.389 -4.894 -10.479 668 HA3 GLY 94 HA3 GLY 94 -22.908 -4.890 -9.597 669 H GLY 95 H GLY 95 -19.908 -4.748 -7.863 670 HA2 GLY 95 HA2 GLY 95 -18.808 -2.990 -6.840 671 HA3 GLY 95 HA3 GLY 95 -19.809 -1.874 -7.759 672 H ALA 96 H ALA 96 -20.762 -4.462 -5.546 673 HA ALA 96 HA ALA 96 -21.775 -2.464 -3.655 674 HB1 ALA 96 HB1 ALA 96 -23.471 -4.681 -4.802 675 HB2 ALA 96 HB2 ALA 96 -23.655 -2.958 -5.134 676 HB3 ALA 96 HB3 ALA 96 -23.946 -3.579 -3.509 677 H LEU 97 H LEU 97 -21.479 -3.038 -1.600 678 HA LEU 97 HA LEU 97 -20.834 -4.194 0.235 679 HB2 LEU 97 HB2 LEU 97 -21.831 -6.568 -1.341 680 HB3 LEU 97 HB3 LEU 97 -21.384 -6.617 0.352 681 HG LEU 97 HG LEU 97 -23.624 -4.949 -0.793 682 HD11 LEU 97 HD11 LEU 97 -25.098 -6.547 0.334 683 HD12 LEU 97 HD12 LEU 97 -23.696 -7.525 0.768 684 HD13 LEU 97 HD13 LEU 97 -24.136 -7.318 -0.927 685 HD21 LEU 97 HD21 LEU 97 -24.239 -4.617 1.559 686 HD22 LEU 97 HD22 LEU 97 -22.649 -3.950 1.195 687 HD23 LEU 97 HD23 LEU 97 -22.787 -5.484 2.054 688 H ALA 98 H ALA 98 -19.587 -6.597 0.635 689 HA ALA 98 HA ALA 98 -17.594 -7.664 0.582 690 HB1 ALA 98 HB1 ALA 98 -17.965 -8.090 -1.779 691 HB2 ALA 98 HB2 ALA 98 -16.262 -7.751 -1.474 692 HB3 ALA 98 HB3 ALA 98 -17.294 -6.512 -2.189 693 H LEU 99 H LEU 99 -17.117 -4.516 -1.029 694 HA LEU 99 HA LEU 99 -14.612 -4.006 0.159 695 HB2 LEU 99 HB2 LEU 99 -15.446 -2.880 -1.878 696 HB3 LEU 99 HB3 LEU 99 -16.644 -2.043 -0.911 697 HG LEU 99 HG LEU 99 -14.778 -0.951 0.346 698 HD11 LEU 99 HD11 LEU 99 -13.086 -2.208 -1.810 699 HD12 LEU 99 HD12 LEU 99 -13.026 -2.572 -0.086 700 HD13 LEU 99 HD13 LEU 99 -12.545 -0.980 -0.667 701 HD21 LEU 99 HD21 LEU 99 -15.940 0.199 -1.461 702 HD22 LEU 99 HD22 LEU 99 -14.825 -0.501 -2.635 703 HD23 LEU 99 HD23 LEU 99 -14.232 0.638 -1.426 704 H ASP 100 H ASP 100 -17.912 -3.263 1.074 705 HA ASP 100 HA ASP 100 -17.451 -1.528 3.207 706 HB2 ASP 100 HB2 ASP 100 -19.674 -1.890 2.285 707 HB3 ASP 100 HB3 ASP 100 -19.658 -3.562 2.833 708 H SER 101 H SER 101 -17.919 -5.073 3.312 709 HA SER 101 HA SER 101 -17.337 -5.244 6.092 710 HB2 SER 101 HB2 SER 101 -17.168 -7.738 5.562 711 HB3 SER 101 HB3 SER 101 -18.707 -6.959 5.196 712 HG SER 101 HG SER 101 -18.427 -7.614 3.233 713 H LEU 102 H LEU 102 -15.384 -4.930 3.344 714 HA LEU 102 HA LEU 102 -13.033 -6.174 4.474 715 HB2 LEU 102 HB2 LEU 102 -13.423 -6.138 2.045 716 HB3 LEU 102 HB3 LEU 102 -13.381 -4.387 2.064 717 HG LEU 102 HG LEU 102 -11.000 -4.543 2.867 718 HD11 LEU 102 HD11 LEU 102 -9.821 -6.652 2.486 719 HD12 LEU 102 HD12 LEU 102 -11.354 -7.440 2.113 720 HD13 LEU 102 HD13 LEU 102 -11.056 -6.811 3.734 721 HD21 LEU 102 HD21 LEU 102 -11.693 -5.731 0.187 722 HD22 LEU 102 HD22 LEU 102 -10.119 -5.074 0.635 723 HD23 LEU 102 HD23 LEU 102 -11.530 -4.018 0.569 724 H THR 103 H THR 103 -14.665 -3.308 4.963 725 HA THR 103 HA THR 103 -12.215 -1.826 5.614 726 HB THR 103 HB THR 103 -15.015 -0.721 5.336 727 HG1 THR 103 HG1 THR 103 -14.361 -1.499 3.320 728 HG21 THR 103 HG21 THR 103 -13.470 0.660 6.664 729 HG22 THR 103 HG22 THR 103 -13.879 1.432 5.133 730 HG23 THR 103 HG23 THR 103 -12.316 0.642 5.330 731 H VAL 104 H VAL 104 -14.979 -3.358 6.998 732 HA VAL 104 HA VAL 104 -14.985 -1.858 9.442 733 HB VAL 104 HB VAL 104 -16.569 -3.517 10.279 734 HG11 VAL 104 HG11 VAL 104 -17.129 -2.675 7.441 735 HG12 VAL 104 HG12 VAL 104 -17.419 -1.719 8.893 736 HG13 VAL 104 HG13 VAL 104 -18.340 -3.196 8.611 737 HG21 VAL 104 HG21 VAL 104 -16.024 -4.998 7.707 738 HG22 VAL 104 HG22 VAL 104 -17.302 -5.387 8.859 739 HG23 VAL 104 HG23 VAL 104 -15.609 -5.537 9.335 740 H LEU 105 H LEU 105 -14.184 -2.414 11.419 741 HA LEU 105 HA LEU 105 -12.717 -3.215 12.938 742 HB2 LEU 105 HB2 LEU 105 -13.978 -5.368 12.363 743 HB3 LEU 105 HB3 LEU 105 -12.601 -5.785 11.367 744 HG LEU 105 HG LEU 105 -12.641 -6.859 13.630 745 HD11 LEU 105 HD11 LEU 105 -10.557 -6.702 12.405 746 HD12 LEU 105 HD12 LEU 105 -10.276 -6.476 14.132 747 HD13 LEU 105 HD13 LEU 105 -10.278 -5.083 13.050 748 HD21 LEU 105 HD21 LEU 105 -12.053 -5.553 15.578 749 HD22 LEU 105 HD22 LEU 105 -13.545 -4.939 14.866 750 HD23 LEU 105 HD23 LEU 105 -12.027 -4.078 14.614 751 H GLY 106 H GLY 106 -11.536 -4.904 10.034 752 HA2 GLY 106 HA2 GLY 106 -8.978 -3.479 10.375 753 HA3 GLY 106 HA3 GLY 106 -9.141 -5.074 9.651 754 H ALA 107 H ALA 107 -8.705 -1.872 8.980 755 HA ALA 107 HA ALA 107 -10.325 -1.649 6.632 756 HB1 ALA 107 HB1 ALA 107 -7.999 0.036 7.547 757 HB2 ALA 107 HB2 ALA 107 -9.698 0.321 7.925 758 HB3 ALA 107 HB3 ALA 107 -9.131 0.448 6.260 759 H GLY 108 H GLY 108 -9.923 -2.952 4.969 760 HA2 GLY 108 HA2 GLY 108 -7.131 -3.354 4.131 761 HA3 GLY 108 HA3 GLY 108 -8.505 -4.330 3.624 762 H GLY 109 H GLY 109 -6.863 -1.259 3.221 763 HA2 GLY 109 HA2 GLY 109 -8.597 -0.209 1.234 764 HA3 GLY 109 HA3 GLY 109 -6.943 0.303 1.536 765 H ASN 110 H ASN 110 -8.511 -0.291 -0.989 766 HA ASN 110 HA ASN 110 -7.027 -2.558 -2.046 767 HB2 ASN 110 HB2 ASN 110 -8.404 -2.318 -4.060 768 HB3 ASN 110 HB3 ASN 110 -9.402 -2.421 -2.618 769 HD21 ASN 110 HD21 ASN 110 -9.856 -1.292 -5.332 770 HD22 ASN 110 HD22 ASN 110 -10.394 0.326 -5.063 771 H ASN 111 H ASN 111 -5.206 -2.376 -3.099 772 HA ASN 111 HA ASN 111 -4.050 0.172 -3.669 773 HB2 ASN 111 HB2 ASN 111 -3.154 -2.668 -4.051 774 HB3 ASN 111 HB3 ASN 111 -2.231 -1.341 -4.751 775 HD21 ASN 111 HD21 ASN 111 -1.734 -3.317 -2.534 776 HD22 ASN 111 HD22 ASN 111 -1.222 -2.338 -1.208 777 H ALA 112 H ALA 112 -6.287 0.215 -5.105 778 HA ALA 112 HA ALA 112 -5.293 0.062 -7.861 779 HB1 ALA 112 HB1 ALA 112 -8.051 -0.784 -6.973 780 HB2 ALA 112 HB2 ALA 112 -6.766 -1.861 -7.520 781 HB3 ALA 112 HB3 ALA 112 -7.482 -0.703 -8.640 Start of MODEL 15 1 H1 SER 6 H1 SER 6 -7.819 19.132 2.873 2 H2 SER 6 H2 SER 6 -9.491 19.139 2.624 3 H3 SER 6 H3 SER 6 -8.549 17.887 1.992 4 HA SER 6 HA SER 6 -8.992 18.466 4.854 5 HB2 SER 6 HB2 SER 6 -9.995 16.212 3.096 6 HB3 SER 6 HB3 SER 6 -10.254 16.340 4.835 7 HG SER 6 HG SER 6 -11.661 17.451 2.849 8 H MET 7 H MET 7 -6.594 18.515 4.904 9 HA MET 7 HA MET 7 -5.214 16.047 4.287 10 HB2 MET 7 HB2 MET 7 -3.192 17.225 5.004 11 HB3 MET 7 HB3 MET 7 -4.100 18.167 3.832 12 HG2 MET 7 HG2 MET 7 -5.009 19.537 5.641 13 HG3 MET 7 HG3 MET 7 -4.085 18.596 6.810 14 HE1 MET 7 HE1 MET 7 -1.317 18.142 5.251 15 HE2 MET 7 HE2 MET 7 -1.475 18.568 6.955 16 HE3 MET 7 HE3 MET 7 -0.405 19.501 5.910 17 H ALA 8 H ALA 8 -6.801 17.380 7.005 18 HA ALA 8 HA ALA 8 -5.259 16.036 9.008 19 HB1 ALA 8 HB1 ALA 8 -8.080 17.073 9.217 20 HB2 ALA 8 HB2 ALA 8 -6.631 18.037 9.487 21 HB3 ALA 8 HB3 ALA 8 -6.995 16.679 10.549 22 H GLN 9 H GLN 9 -8.337 15.382 7.369 23 HA GLN 9 HA GLN 9 -8.768 12.861 8.596 24 HB2 GLN 9 HB2 GLN 9 -9.784 13.997 5.987 25 HB3 GLN 9 HB3 GLN 9 -10.324 12.468 6.668 26 HG2 GLN 9 HG2 GLN 9 -10.644 15.188 7.913 27 HG3 GLN 9 HG3 GLN 9 -11.909 14.226 7.153 28 HE21 GLN 9 HE21 GLN 9 -11.754 15.261 9.861 29 HE22 GLN 9 HE22 GLN 9 -11.868 13.890 10.907 30 H ALA 10 H ALA 10 -6.677 13.937 6.126 31 HA ALA 10 HA ALA 10 -6.256 11.272 5.036 32 HB1 ALA 10 HB1 ALA 10 -6.330 13.178 3.504 33 HB2 ALA 10 HB2 ALA 10 -4.764 12.369 3.455 34 HB3 ALA 10 HB3 ALA 10 -4.943 13.892 4.327 35 H ALA 11 H ALA 11 -5.392 12.647 7.769 36 HA ALA 11 HA ALA 11 -3.830 12.258 9.347 37 HB1 ALA 11 HB1 ALA 11 -2.354 10.356 9.174 38 HB2 ALA 11 HB2 ALA 11 -2.671 10.228 7.445 39 HB3 ALA 11 HB3 ALA 11 -3.964 9.920 8.603 40 H GLN 12 H GLN 12 -1.766 11.704 6.495 41 HA GLN 12 HA GLN 12 -0.412 14.232 7.033 42 HB2 GLN 12 HB2 GLN 12 1.809 13.143 6.932 43 HB3 GLN 12 HB3 GLN 12 0.872 12.651 8.336 44 HG2 GLN 12 HG2 GLN 12 0.442 10.528 7.447 45 HG3 GLN 12 HG3 GLN 12 0.920 11.019 5.822 46 HE21 GLN 12 HE21 GLN 12 1.860 8.823 7.551 47 HE22 GLN 12 HE22 GLN 12 3.577 9.033 7.671 48 H GLN 13 H GLN 13 1.245 14.701 5.321 49 HA GLN 13 HA GLN 13 0.921 13.248 2.833 50 HB2 GLN 13 HB2 GLN 13 0.484 15.282 1.524 51 HB3 GLN 13 HB3 GLN 13 -0.812 14.957 2.664 52 HG2 GLN 13 HG2 GLN 13 0.154 16.648 4.184 53 HG3 GLN 13 HG3 GLN 13 1.364 17.014 2.956 54 HE21 GLN 13 HE21 GLN 13 0.711 19.115 2.660 55 HE22 GLN 13 HE22 GLN 13 -0.787 19.535 1.907 56 H LYS 14 H LYS 14 2.853 12.969 1.937 57 HA LYS 14 HA LYS 14 4.996 14.892 2.552 58 HB2 LYS 14 HB2 LYS 14 5.232 11.876 2.678 59 HB3 LYS 14 HB3 LYS 14 6.570 12.998 2.835 60 HG2 LYS 14 HG2 LYS 14 4.232 12.822 4.724 61 HG3 LYS 14 HG3 LYS 14 5.817 12.097 4.991 62 HD2 LYS 14 HD2 LYS 14 6.772 14.429 4.747 63 HD3 LYS 14 HD3 LYS 14 5.112 15.018 4.825 64 HE2 LYS 14 HE2 LYS 14 6.484 13.358 6.938 65 HE3 LYS 14 HE3 LYS 14 6.238 15.100 7.008 66 HZ1 LYS 14 HZ1 LYS 14 4.122 13.014 6.988 67 HZ2 LYS 14 HZ2 LYS 14 3.829 14.682 6.936 68 HZ3 LYS 14 HZ3 LYS 14 4.562 13.997 8.293 69 H ASN 15 H ASN 15 6.866 14.668 1.047 70 HA ASN 15 HA ASN 15 5.899 14.042 -1.644 71 HB2 ASN 15 HB2 ASN 15 6.902 16.274 -1.272 72 HB3 ASN 15 HB3 ASN 15 8.413 15.503 -0.802 73 HD21 ASN 15 HD21 ASN 15 9.592 16.419 -2.452 74 HD22 ASN 15 HD22 ASN 15 9.401 15.956 -4.106 75 H PHE 16 H PHE 16 6.262 12.038 -2.282 76 HA PHE 16 HA PHE 16 8.688 10.668 -1.330 77 HB2 PHE 16 HB2 PHE 16 6.131 9.490 -2.429 78 HB3 PHE 16 HB3 PHE 16 7.504 8.578 -1.818 79 HD1 PHE 16 HD1 PHE 16 7.966 8.493 0.557 80 HD2 PHE 16 HD2 PHE 16 4.576 10.542 -0.966 81 HE1 PHE 16 HE1 PHE 16 6.976 8.512 2.814 82 HE2 PHE 16 HE2 PHE 16 3.570 10.567 1.276 83 HZ PHE 16 HZ PHE 16 4.771 9.551 3.173 84 H ASN 17 H ASN 17 9.967 9.520 -2.762 85 HA ASN 17 HA ASN 17 9.315 9.595 -5.606 86 HB2 ASN 17 HB2 ASN 17 10.726 11.556 -5.314 87 HB3 ASN 17 HB3 ASN 17 11.930 10.602 -4.456 88 HD21 ASN 17 HD21 ASN 17 13.340 9.326 -5.604 89 HD22 ASN 17 HD22 ASN 17 13.455 9.365 -7.328 90 H ILE 18 H ILE 18 9.132 7.477 -5.904 91 HA ILE 18 HA ILE 18 11.259 5.717 -4.853 92 HB ILE 18 HB ILE 18 8.405 4.870 -5.345 93 HG12 ILE 18 HG12 ILE 18 8.454 6.632 -3.605 94 HG13 ILE 18 HG13 ILE 18 7.977 5.069 -2.961 95 HG21 ILE 18 HG21 ILE 18 10.641 3.615 -3.761 96 HG22 ILE 18 HG22 ILE 18 10.047 3.081 -5.334 97 HG23 ILE 18 HG23 ILE 18 9.004 2.976 -3.914 98 HD11 ILE 18 HD11 ILE 18 9.485 6.282 -1.473 99 HD12 ILE 18 HD12 ILE 18 10.721 6.276 -2.732 100 HD13 ILE 18 HD13 ILE 18 10.178 4.756 -2.021 101 H ALA 19 H ALA 19 12.485 5.109 -6.534 102 HA ALA 19 HA ALA 19 11.528 4.744 -9.200 103 HB1 ALA 19 HB1 ALA 19 14.058 3.772 -7.864 104 HB2 ALA 19 HB2 ALA 19 13.866 5.271 -8.774 105 HB3 ALA 19 HB3 ALA 19 13.735 3.717 -9.596 106 H ALA 20 H ALA 20 11.631 2.572 -10.314 107 HA ALA 20 HA ALA 20 9.871 0.829 -8.937 108 HB1 ALA 20 HB1 ALA 20 11.405 0.300 -11.481 109 HB2 ALA 20 HB2 ALA 20 9.850 1.122 -11.383 110 HB3 ALA 20 HB3 ALA 20 9.982 -0.571 -10.912 111 H GLN 21 H GLN 21 10.648 -0.119 -7.191 112 HA GLN 21 HA GLN 21 13.029 -1.825 -7.414 113 HB2 GLN 21 HB2 GLN 21 11.619 -0.630 -5.021 114 HB3 GLN 21 HB3 GLN 21 12.918 -1.807 -4.892 115 HG2 GLN 21 HG2 GLN 21 14.500 -0.327 -5.784 116 HG3 GLN 21 HG3 GLN 21 13.257 0.761 -6.396 117 HE21 GLN 21 HE21 GLN 21 12.235 2.158 -5.007 118 HE22 GLN 21 HE22 GLN 21 12.861 2.526 -3.436 119 HA PRO 22 HA PRO 22 10.408 -5.480 -6.451 120 HB2 PRO 22 HB2 PRO 22 11.905 -5.823 -3.906 121 HB3 PRO 22 HB3 PRO 22 11.623 -6.988 -5.205 122 HG2 PRO 22 HG2 PRO 22 14.024 -5.879 -4.868 123 HG3 PRO 22 HG3 PRO 22 13.376 -6.180 -6.491 124 HD2 PRO 22 HD2 PRO 22 13.535 -3.619 -4.957 125 HD3 PRO 22 HD3 PRO 22 13.814 -3.913 -6.683 126 H LEU 23 H LEU 23 8.484 -5.674 -5.281 127 HA LEU 23 HA LEU 23 7.454 -3.254 -4.431 128 HB2 LEU 23 HB2 LEU 23 6.168 -5.235 -5.261 129 HB3 LEU 23 HB3 LEU 23 6.340 -5.944 -3.666 130 HG LEU 23 HG LEU 23 5.099 -4.058 -2.691 131 HD11 LEU 23 HD11 LEU 23 4.981 -3.133 -5.552 132 HD12 LEU 23 HD12 LEU 23 5.599 -2.260 -4.145 133 HD13 LEU 23 HD13 LEU 23 3.869 -2.559 -4.310 134 HD21 LEU 23 HD21 LEU 23 3.889 -6.065 -3.363 135 HD22 LEU 23 HD22 LEU 23 3.675 -5.405 -4.984 136 HD23 LEU 23 HD23 LEU 23 2.901 -4.624 -3.605 137 H GLN 24 H GLN 24 8.717 -5.886 -2.444 138 HA GLN 24 HA GLN 24 7.932 -4.833 0.052 139 HB2 GLN 24 HB2 GLN 24 10.278 -6.617 -0.615 140 HB3 GLN 24 HB3 GLN 24 9.655 -6.325 1.003 141 HG2 GLN 24 HG2 GLN 24 7.498 -7.299 0.313 142 HG3 GLN 24 HG3 GLN 24 8.196 -7.661 -1.265 143 HE21 GLN 24 HE21 GLN 24 10.806 -8.324 -0.083 144 HE22 GLN 24 HE22 GLN 24 10.611 -9.887 0.625 145 H SER 25 H SER 25 11.069 -4.646 -1.640 146 HA SER 25 HA SER 25 12.285 -2.917 0.222 147 HB2 SER 25 HB2 SER 25 12.920 -3.201 -2.723 148 HB3 SER 25 HB3 SER 25 14.004 -2.617 -1.461 149 HG SER 25 HG SER 25 14.455 -4.778 -1.874 150 H ALA 26 H ALA 26 10.243 -2.392 -2.548 151 HA ALA 26 HA ALA 26 10.576 0.338 -2.993 152 HB1 ALA 26 HB1 ALA 26 8.041 -1.282 -3.183 153 HB2 ALA 26 HB2 ALA 26 9.278 -1.164 -4.440 154 HB3 ALA 26 HB3 ALA 26 8.350 0.264 -3.977 155 H MET 27 H MET 27 8.106 -1.269 -0.995 156 HA MET 27 HA MET 27 7.196 1.223 0.094 157 HB2 MET 27 HB2 MET 27 6.586 -1.574 1.050 158 HB3 MET 27 HB3 MET 27 5.683 -0.116 1.436 159 HG2 MET 27 HG2 MET 27 5.138 0.105 -0.981 160 HG3 MET 27 HG3 MET 27 5.917 -1.453 -1.245 161 HE1 MET 27 HE1 MET 27 2.943 -0.767 -2.104 162 HE2 MET 27 HE2 MET 27 2.091 -2.231 -1.615 163 HE3 MET 27 HE3 MET 27 3.673 -2.347 -2.380 164 H LEU 28 H LEU 28 9.625 -1.054 0.941 165 HA LEU 28 HA LEU 28 9.956 -0.314 3.639 166 HB2 LEU 28 HB2 LEU 28 11.076 -2.231 2.422 167 HB3 LEU 28 HB3 LEU 28 12.146 -1.053 1.693 168 HG LEU 28 HG LEU 28 11.960 -1.253 4.681 169 HD11 LEU 28 HD11 LEU 28 12.334 -3.532 3.879 170 HD12 LEU 28 HD12 LEU 28 13.783 -2.880 4.647 171 HD13 LEU 28 HD13 LEU 28 13.678 -2.966 2.888 172 HD21 LEU 28 HD21 LEU 28 14.268 -0.470 4.549 173 HD22 LEU 28 HD22 LEU 28 13.184 0.626 3.694 174 HD23 LEU 28 HD23 LEU 28 14.189 -0.505 2.789 175 H ARG 29 H ARG 29 11.036 1.076 0.597 176 HA ARG 29 HA ARG 29 12.530 3.194 1.857 177 HB2 ARG 29 HB2 ARG 29 11.733 2.751 -1.023 178 HB3 ARG 29 HB3 ARG 29 12.799 4.035 -0.466 179 HG2 ARG 29 HG2 ARG 29 13.318 1.083 -0.189 180 HG3 ARG 29 HG3 ARG 29 14.048 2.155 -1.387 181 HD2 ARG 29 HD2 ARG 29 15.100 3.449 0.371 182 HD3 ARG 29 HD3 ARG 29 14.311 2.463 1.600 183 HE ARG 29 HE ARG 29 15.962 0.986 -0.248 184 HH11 ARG 29 HH11 ARG 29 15.789 2.694 2.806 185 HH12 ARG 29 HH12 ARG 29 17.206 1.921 3.457 186 HH21 ARG 29 HH21 ARG 29 17.812 -0.036 0.602 187 HH22 ARG 29 HH22 ARG 29 18.364 0.369 2.197 188 H PHE 30 H PHE 30 9.418 2.901 0.180 189 HA PHE 30 HA PHE 30 8.712 5.625 0.294 190 HB2 PHE 30 HB2 PHE 30 7.393 4.272 -1.123 191 HB3 PHE 30 HB3 PHE 30 7.091 3.095 0.145 192 HD1 PHE 30 HD2 PHE 30 6.281 6.526 -0.964 193 HD2 PHE 30 HD1 PHE 30 5.232 3.280 1.564 194 HE1 PHE 30 HE2 PHE 30 4.153 7.634 -0.438 195 HE2 PHE 30 HE1 PHE 30 3.107 4.386 2.109 196 HZ PHE 30 HZ PHE 30 2.566 6.569 1.106 197 H ALA 31 H ALA 31 7.903 2.942 2.469 198 HA ALA 31 HA ALA 31 6.395 4.609 4.201 199 HB1 ALA 31 HB1 ALA 31 5.901 2.240 3.956 200 HB2 ALA 31 HB2 ALA 31 6.236 2.652 5.637 201 HB3 ALA 31 HB3 ALA 31 7.461 1.832 4.669 202 H GLU 32 H GLU 32 9.781 3.804 4.004 203 HA GLU 32 HA GLU 32 10.362 4.351 6.743 204 HB2 GLU 32 HB2 GLU 32 12.663 4.379 6.201 205 HB3 GLU 32 HB3 GLU 32 11.934 3.170 5.158 206 HG2 GLU 32 HG2 GLU 32 12.053 4.613 3.274 207 HG3 GLU 32 HG3 GLU 32 12.526 5.981 4.282 208 H GLN 33 H GLN 33 9.754 6.376 4.013 209 HA GLN 33 HA GLN 33 10.633 8.772 5.407 210 HB2 GLN 33 HB2 GLN 33 9.202 8.414 2.765 211 HB3 GLN 33 HB3 GLN 33 9.718 9.961 3.417 212 HG2 GLN 33 HG2 GLN 33 12.047 9.204 3.340 213 HG3 GLN 33 HG3 GLN 33 11.514 7.674 2.645 214 HE21 GLN 33 HE21 GLN 33 11.983 11.070 2.092 215 HE22 GLN 33 HE22 GLN 33 11.794 11.023 0.373 216 H ALA 34 H ALA 34 7.753 6.952 4.774 217 HA ALA 34 HA ALA 34 5.929 9.042 5.520 218 HB1 ALA 34 HB1 ALA 34 5.399 7.256 3.860 219 HB2 ALA 34 HB2 ALA 34 4.194 7.447 5.137 220 HB3 ALA 34 HB3 ALA 34 5.339 6.107 5.201 221 H GLY 35 H GLY 35 7.580 6.471 7.172 222 HA2 GLY 35 HA2 GLY 35 7.844 6.600 9.567 223 HA3 GLY 35 HA3 GLY 35 6.226 7.278 9.666 224 H MET 36 H MET 36 7.261 4.482 7.803 225 HA MET 36 HA MET 36 6.027 2.585 9.612 226 HB2 MET 36 HB2 MET 36 4.835 3.271 6.926 227 HB3 MET 36 HB3 MET 36 4.589 1.699 7.664 228 HG2 MET 36 HG2 MET 36 3.448 2.688 9.524 229 HG3 MET 36 HG3 MET 36 3.838 4.309 8.953 230 HE1 MET 36 HE1 MET 36 3.344 4.138 5.853 231 HE2 MET 36 HE2 MET 36 2.779 5.449 6.888 232 HE3 MET 36 HE3 MET 36 1.663 4.663 5.774 233 H GLN 37 H GLN 37 6.115 0.323 8.539 234 HA GLN 37 HA GLN 37 8.035 0.158 6.334 235 HB2 GLN 37 HB2 GLN 37 9.306 -0.254 8.441 236 HB3 GLN 37 HB3 GLN 37 8.213 -1.584 8.806 237 HG2 GLN 37 HG2 GLN 37 8.924 -2.723 6.755 238 HG3 GLN 37 HG3 GLN 37 10.036 -1.400 6.416 239 HE21 GLN 37 HE21 GLN 37 10.744 -1.089 9.238 240 HE22 GLN 37 HE22 GLN 37 11.786 -2.414 9.613 241 H VAL 38 H VAL 38 7.626 -1.558 4.935 242 HA VAL 38 HA VAL 38 4.959 -2.610 5.082 243 HB VAL 38 HB VAL 38 5.862 -1.903 2.929 244 HG11 VAL 38 HG11 VAL 38 7.808 -4.189 3.190 245 HG12 VAL 38 HG12 VAL 38 8.208 -2.472 3.261 246 HG13 VAL 38 HG13 VAL 38 7.587 -3.171 1.762 247 HG21 VAL 38 HG21 VAL 38 4.119 -3.573 2.928 248 HG22 VAL 38 HG22 VAL 38 5.317 -4.859 3.059 249 HG23 VAL 38 HG23 VAL 38 5.242 -3.870 1.602 250 H PHE 39 H PHE 39 4.321 -4.710 5.429 251 HA PHE 39 HA PHE 39 6.398 -6.516 6.468 252 HB2 PHE 39 HB2 PHE 39 5.425 -5.313 8.358 253 HB3 PHE 39 HB3 PHE 39 3.812 -5.773 7.835 254 HD1 PHE 39 HD1 PHE 39 7.015 -7.136 9.101 255 HD2 PHE 39 HD2 PHE 39 2.851 -7.794 8.530 256 HE1 PHE 39 HE1 PHE 39 7.150 -9.161 10.488 257 HE2 PHE 39 HE2 PHE 39 2.979 -9.821 9.917 258 HZ PHE 39 HZ PHE 39 5.130 -10.508 10.898 259 H PHE 40 H PHE 40 6.161 -8.582 5.994 260 HA PHE 40 HA PHE 40 3.533 -9.634 5.220 261 HB2 PHE 40 HB2 PHE 40 6.161 -10.199 3.813 262 HB3 PHE 40 HB3 PHE 40 4.677 -11.099 3.540 263 HD1 PHE 40 HD1 PHE 40 6.224 -7.749 3.221 264 HD2 PHE 40 HD2 PHE 40 3.074 -10.340 2.013 265 HE1 PHE 40 HE1 PHE 40 5.609 -6.171 1.437 266 HE2 PHE 40 HE2 PHE 40 2.446 -8.760 0.239 267 HZ PHE 40 HZ PHE 40 3.716 -6.673 -0.053 268 H ASP 41 H ASP 41 3.464 -12.062 5.566 269 HA ASP 41 HA ASP 41 4.996 -12.713 7.927 270 HB2 ASP 41 HB2 ASP 41 3.700 -14.878 7.884 271 HB3 ASP 41 HB3 ASP 41 2.732 -13.421 8.043 272 H GLU 42 H GLU 42 4.375 -15.120 5.454 273 HA GLU 42 HA GLU 42 7.245 -15.156 4.807 274 HB2 GLU 42 HB2 GLU 42 5.473 -17.577 5.210 275 HB3 GLU 42 HB3 GLU 42 7.142 -17.616 4.664 276 HG2 GLU 42 HG2 GLU 42 7.862 -16.671 6.798 277 HG3 GLU 42 HG3 GLU 42 6.185 -16.645 7.345 278 H VAL 43 H VAL 43 6.805 -13.977 2.954 279 HA VAL 43 HA VAL 43 5.164 -15.372 0.941 280 HB VAL 43 HB VAL 43 5.555 -12.386 1.227 281 HG11 VAL 43 HG11 VAL 43 5.359 -13.059 -1.107 282 HG12 VAL 43 HG12 VAL 43 3.910 -12.203 -0.580 283 HG13 VAL 43 HG13 VAL 43 3.889 -13.959 -0.736 284 HG21 VAL 43 HG21 VAL 43 3.155 -12.347 1.753 285 HG22 VAL 43 HG22 VAL 43 4.074 -13.272 2.939 286 HG23 VAL 43 HG23 VAL 43 3.126 -14.109 1.711 287 H LYS 44 H LYS 44 6.518 -16.325 -0.406 288 HA LYS 44 HA LYS 44 8.891 -14.874 -1.337 289 HB2 LYS 44 HB2 LYS 44 9.278 -17.153 -0.495 290 HB3 LYS 44 HB3 LYS 44 8.114 -17.785 -1.652 291 HG2 LYS 44 HG2 LYS 44 9.588 -16.912 -3.478 292 HG3 LYS 44 HG3 LYS 44 10.785 -16.533 -2.240 293 HD2 LYS 44 HD2 LYS 44 9.635 -19.277 -2.736 294 HD3 LYS 44 HD3 LYS 44 11.181 -18.708 -3.366 295 HE2 LYS 44 HE2 LYS 44 12.016 -18.403 -1.108 296 HE3 LYS 44 HE3 LYS 44 10.454 -18.878 -0.444 297 HZ1 LYS 44 HZ1 LYS 44 12.050 -20.693 -0.388 298 HZ2 LYS 44 HZ2 LYS 44 12.229 -20.620 -2.067 299 HZ3 LYS 44 HZ3 LYS 44 10.745 -21.070 -1.394 300 H LEU 45 H LEU 45 7.879 -13.462 -2.764 301 HA LEU 45 HA LEU 45 6.985 -14.683 -5.262 302 HB2 LEU 45 HB2 LEU 45 5.418 -12.614 -3.723 303 HB3 LEU 45 HB3 LEU 45 5.141 -12.972 -5.414 304 HG LEU 45 HG LEU 45 4.831 -14.965 -3.165 305 HD11 LEU 45 HD11 LEU 45 2.741 -13.450 -4.725 306 HD12 LEU 45 HD12 LEU 45 3.167 -13.178 -3.035 307 HD13 LEU 45 HD13 LEU 45 2.435 -14.706 -3.525 308 HD21 LEU 45 HD21 LEU 45 5.393 -16.013 -5.289 309 HD22 LEU 45 HD22 LEU 45 4.106 -15.112 -6.091 310 HD23 LEU 45 HD23 LEU 45 3.708 -16.324 -4.873 311 H ASP 46 H ASP 46 7.702 -13.628 -7.016 312 HA ASP 46 HA ASP 46 8.647 -10.869 -6.687 313 HB2 ASP 46 HB2 ASP 46 10.564 -11.291 -8.115 314 HB3 ASP 46 HB3 ASP 46 10.606 -12.393 -6.745 315 H GLY 47 H GLY 47 8.610 -9.611 -8.649 316 HA2 GLY 47 HA2 GLY 47 8.046 -9.695 -11.076 317 HA3 GLY 47 HA3 GLY 47 6.688 -10.706 -10.608 318 H MET 48 H MET 48 6.591 -8.786 -8.137 319 HA MET 48 HA MET 48 4.500 -7.165 -9.103 320 HB2 MET 48 HB2 MET 48 6.117 -7.034 -6.563 321 HB3 MET 48 HB3 MET 48 4.812 -5.911 -6.907 322 HG2 MET 48 HG2 MET 48 3.879 -7.570 -5.545 323 HG3 MET 48 HG3 MET 48 3.317 -7.927 -7.175 324 HE1 MET 48 HE1 MET 48 5.546 -8.989 -4.190 325 HE2 MET 48 HE2 MET 48 6.785 -8.631 -5.392 326 HE3 MET 48 HE3 MET 48 6.524 -10.292 -4.864 327 H GLN 49 H GLN 49 4.399 -5.047 -9.684 328 HA GLN 49 HA GLN 49 6.989 -3.845 -10.396 329 HB2 GLN 49 HB2 GLN 49 4.248 -3.293 -11.549 330 HB3 GLN 49 HB3 GLN 49 5.768 -2.615 -12.118 331 HG2 GLN 49 HG2 GLN 49 6.526 -4.860 -12.739 332 HG3 GLN 49 HG3 GLN 49 4.987 -5.520 -12.191 333 HE21 GLN 49 HE21 GLN 49 3.485 -3.210 -13.199 334 HE22 GLN 49 HE22 GLN 49 3.416 -3.409 -14.915 335 H ALA 50 H ALA 50 7.615 -2.170 -9.192 336 HA ALA 50 HA ALA 50 5.701 -0.716 -7.582 337 HB1 ALA 50 HB1 ALA 50 7.679 0.546 -6.799 338 HB2 ALA 50 HB2 ALA 50 8.677 -0.357 -7.939 339 HB3 ALA 50 HB3 ALA 50 7.869 -1.198 -6.618 340 H ALA 51 H ALA 51 4.410 0.546 -8.761 341 HA ALA 51 HA ALA 51 5.052 1.772 -11.195 342 HB1 ALA 51 HB1 ALA 51 2.758 1.328 -10.490 343 HB2 ALA 51 HB2 ALA 51 2.978 3.028 -10.907 344 HB3 ALA 51 HB3 ALA 51 2.910 2.535 -9.214 345 H ALA 52 H ALA 52 5.245 4.027 -11.689 346 HA ALA 52 HA ALA 52 7.320 5.290 -10.347 347 HB1 ALA 52 HB1 ALA 52 5.269 6.589 -12.136 348 HB2 ALA 52 HB2 ALA 52 6.716 5.745 -12.685 349 HB3 ALA 52 HB3 ALA 52 6.865 7.225 -11.738 350 H LEU 53 H LEU 53 7.274 5.976 -8.345 351 HA LEU 53 HA LEU 53 4.848 7.277 -7.311 352 HB2 LEU 53 HB2 LEU 53 5.889 5.134 -6.273 353 HB3 LEU 53 HB3 LEU 53 7.131 6.207 -5.671 354 HG LEU 53 HG LEU 53 5.462 5.699 -3.962 355 HD11 LEU 53 HD11 LEU 53 6.605 7.842 -3.871 356 HD12 LEU 53 HD12 LEU 53 4.960 7.957 -3.245 357 HD13 LEU 53 HD13 LEU 53 5.335 8.566 -4.857 358 HD21 LEU 53 HD21 LEU 53 3.497 7.110 -5.747 359 HD22 LEU 53 HD22 LEU 53 3.193 6.481 -4.128 360 HD23 LEU 53 HD23 LEU 53 3.545 5.372 -5.454 361 H ASN 54 H ASN 54 5.144 9.420 -7.766 362 HA ASN 54 HA ASN 54 7.275 10.772 -6.330 363 HB2 ASN 54 HB2 ASN 54 8.204 10.297 -8.608 364 HB3 ASN 54 HB3 ASN 54 6.885 11.232 -9.298 365 HD21 ASN 54 HD21 ASN 54 9.776 11.618 -9.418 366 HD22 ASN 54 HD22 ASN 54 10.065 13.218 -8.828 367 H GLY 55 H GLY 55 5.854 11.849 -5.055 368 HA2 GLY 55 HA2 GLY 55 4.598 14.158 -6.011 369 HA3 GLY 55 HA3 GLY 55 3.380 12.897 -5.907 370 H SER 56 H SER 56 3.179 15.198 -4.427 371 HA SER 56 HA SER 56 3.849 14.385 -1.693 372 HB2 SER 56 HB2 SER 56 2.690 16.987 -2.727 373 HB3 SER 56 HB3 SER 56 3.150 16.660 -1.057 374 HG SER 56 HG SER 56 4.966 16.442 -3.221 375 H MET 57 H MET 57 2.397 13.013 -0.891 376 HA MET 57 HA MET 57 -0.404 13.674 -0.891 377 HB2 MET 57 HB2 MET 57 -1.037 11.464 -1.957 378 HB3 MET 57 HB3 MET 57 -0.406 12.693 -3.042 379 HG2 MET 57 HG2 MET 57 1.822 11.588 -2.877 380 HG3 MET 57 HG3 MET 57 1.046 10.291 -1.970 381 HE1 MET 57 HE1 MET 57 1.833 8.869 -5.604 382 HE2 MET 57 HE2 MET 57 2.259 8.774 -3.895 383 HE3 MET 57 HE3 MET 57 2.738 10.178 -4.846 384 H SER 58 H SER 58 -1.606 11.497 -0.062 385 HA SER 58 HA SER 58 -0.301 11.023 2.494 386 HB2 SER 58 HB2 SER 58 -3.117 10.395 1.584 387 HB3 SER 58 HB3 SER 58 -2.513 10.306 3.238 388 HG SER 58 HG SER 58 -2.205 12.520 3.231 389 H VAL 59 H VAL 59 -0.908 8.765 3.476 390 HA VAL 59 HA VAL 59 0.598 6.824 2.122 391 HB VAL 59 HB VAL 59 -1.456 6.298 4.263 392 HG11 VAL 59 HG11 VAL 59 1.050 4.808 3.497 393 HG12 VAL 59 HG12 VAL 59 -0.598 4.305 3.127 394 HG13 VAL 59 HG13 VAL 59 -0.056 4.382 4.802 395 HG21 VAL 59 HG21 VAL 59 1.448 7.066 4.565 396 HG22 VAL 59 HG22 VAL 59 0.359 6.604 5.874 397 HG23 VAL 59 HG23 VAL 59 0.064 8.084 4.962 398 H GLU 60 H GLU 60 -2.916 7.090 2.520 399 HA GLU 60 HA GLU 60 -3.708 4.828 1.151 400 HB2 GLU 60 HB2 GLU 60 -5.005 7.557 1.246 401 HB3 GLU 60 HB3 GLU 60 -5.789 6.131 0.593 402 HG2 GLU 60 HG2 GLU 60 -6.579 6.502 2.818 403 HG3 GLU 60 HG3 GLU 60 -5.583 5.050 2.809 404 H GLN 61 H GLN 61 -3.168 8.073 -0.174 405 HA GLN 61 HA GLN 61 -3.702 7.418 -2.864 406 HB2 GLN 61 HB2 GLN 61 -1.950 9.625 -1.776 407 HB3 GLN 61 HB3 GLN 61 -2.636 9.552 -3.392 408 HG2 GLN 61 HG2 GLN 61 -4.873 9.726 -2.472 409 HG3 GLN 61 HG3 GLN 61 -4.213 9.737 -0.837 410 HE21 GLN 61 HE21 GLN 61 -4.589 11.529 -3.789 411 HE22 GLN 61 HE22 GLN 61 -4.130 13.071 -3.149 412 H GLY 62 H GLY 62 -0.667 7.690 -1.046 413 HA2 GLY 62 HA2 GLY 62 1.106 7.234 -3.160 414 HA3 GLY 62 HA3 GLY 62 1.442 6.899 -1.468 415 H LEU 63 H LEU 63 -0.400 4.915 -0.935 416 HA LEU 63 HA LEU 63 0.892 2.667 -2.074 417 HB2 LEU 63 HB2 LEU 63 -1.320 3.114 -0.157 418 HB3 LEU 63 HB3 LEU 63 -1.232 1.549 -0.927 419 HG LEU 63 HG LEU 63 -0.129 1.454 1.215 420 HD11 LEU 63 HD11 LEU 63 2.039 0.623 0.580 421 HD12 LEU 63 HD12 LEU 63 1.947 1.473 -0.961 422 HD13 LEU 63 HD13 LEU 63 0.840 0.143 -0.620 423 HD21 LEU 63 HD21 LEU 63 0.395 3.835 1.416 424 HD22 LEU 63 HD22 LEU 63 1.671 3.641 0.214 425 HD23 LEU 63 HD23 LEU 63 1.785 2.810 1.766 426 H ARG 64 H ARG 64 -2.309 4.126 -2.557 427 HA ARG 64 HA ARG 64 -3.371 2.291 -4.342 428 HB2 ARG 64 HB2 ARG 64 -3.695 5.274 -4.130 429 HB3 ARG 64 HB3 ARG 64 -4.541 4.350 -5.364 430 HG2 ARG 64 HG2 ARG 64 -5.744 3.112 -3.740 431 HG3 ARG 64 HG3 ARG 64 -4.732 3.720 -2.430 432 HD2 ARG 64 HD2 ARG 64 -6.901 4.832 -2.450 433 HD3 ARG 64 HD3 ARG 64 -5.603 5.973 -2.794 434 HE ARG 64 HE ARG 64 -6.653 4.982 -5.218 435 HH11 ARG 64 HH11 ARG 64 -7.538 7.059 -2.552 436 HH12 ARG 64 HH12 ARG 64 -8.582 8.058 -3.511 437 HH21 ARG 64 HH21 ARG 64 -8.029 6.279 -6.480 438 HH22 ARG 64 HH22 ARG 64 -8.849 7.625 -5.754 439 H ARG 65 H ARG 65 -0.958 4.776 -4.910 440 HA ARG 65 HA ARG 65 -0.889 4.302 -7.755 441 HB2 ARG 65 HB2 ARG 65 -0.323 6.498 -6.645 442 HB3 ARG 65 HB3 ARG 65 1.175 5.751 -6.107 443 HG2 ARG 65 HG2 ARG 65 1.922 5.450 -8.346 444 HG3 ARG 65 HG3 ARG 65 0.351 5.925 -8.994 445 HD2 ARG 65 HD2 ARG 65 2.272 7.680 -7.477 446 HD3 ARG 65 HD3 ARG 65 1.939 7.743 -9.206 447 HE ARG 65 HE ARG 65 -0.395 8.094 -7.555 448 HH11 ARG 65 HH11 ARG 65 2.283 9.713 -9.129 449 HH12 ARG 65 HH12 ARG 65 1.497 11.257 -9.156 450 HH21 ARG 65 HH21 ARG 65 -1.421 10.134 -7.578 451 HH22 ARG 65 HH22 ARG 65 -0.606 11.497 -8.282 452 H LEU 66 H LEU 66 1.171 3.518 -4.974 453 HA LEU 66 HA LEU 66 3.233 2.190 -6.329 454 HB2 LEU 66 HB2 LEU 66 2.232 2.390 -3.574 455 HB3 LEU 66 HB3 LEU 66 3.135 0.928 -3.893 456 HG LEU 66 HG LEU 66 4.147 3.748 -4.327 457 HD11 LEU 66 HD11 LEU 66 4.804 1.731 -2.189 458 HD12 LEU 66 HD12 LEU 66 3.898 3.227 -1.967 459 HD13 LEU 66 HD13 LEU 66 5.603 3.287 -2.416 460 HD21 LEU 66 HD21 LEU 66 5.166 2.198 -5.889 461 HD22 LEU 66 HD22 LEU 66 5.544 1.086 -4.575 462 HD23 LEU 66 HD23 LEU 66 6.330 2.663 -4.649 463 H ILE 67 H ILE 67 0.213 0.985 -5.026 464 HA ILE 67 HA ILE 67 0.742 -1.753 -5.863 465 HB ILE 67 HB ILE 67 -1.811 -0.729 -4.714 466 HG12 ILE 67 HG12 ILE 67 0.645 -1.604 -3.172 467 HG13 ILE 67 HG13 ILE 67 0.005 0.035 -3.235 468 HG21 ILE 67 HG21 ILE 67 -0.414 -3.401 -4.491 469 HG22 ILE 67 HG22 ILE 67 -1.725 -3.036 -5.611 470 HG23 ILE 67 HG23 ILE 67 -2.020 -3.016 -3.870 471 HD11 ILE 67 HD11 ILE 67 -1.418 -2.351 -2.084 472 HD12 ILE 67 HD12 ILE 67 -2.010 -0.689 -2.101 473 HD13 ILE 67 HD13 ILE 67 -0.579 -1.108 -1.160 474 H GLY 68 H GLY 68 0.229 0.647 -7.498 475 HA2 GLY 68 HA2 GLY 68 -1.815 1.077 -9.062 476 HA3 GLY 68 HA3 GLY 68 -0.215 0.946 -9.728 477 H GLY 69 H GLY 69 -2.042 -1.900 -8.656 478 HA2 GLY 69 HA2 GLY 69 -3.308 -3.258 -10.244 479 HA3 GLY 69 HA3 GLY 69 -2.197 -2.703 -11.487 480 H ASN 70 H ASN 70 -0.921 -3.447 -8.392 481 HA ASN 70 HA ASN 70 -0.263 -6.196 -9.201 482 HB2 ASN 70 HB2 ASN 70 0.649 -4.632 -6.761 483 HB3 ASN 70 HB3 ASN 70 1.183 -6.248 -7.205 484 HD21 ASN 70 HD21 ASN 70 1.519 -2.873 -7.771 485 HD22 ASN 70 HD22 ASN 70 2.856 -2.968 -8.864 486 HA PRO 71 HA PRO 71 -4.046 -7.028 -6.929 487 HB2 PRO 71 HB2 PRO 71 -3.317 -9.872 -7.166 488 HB3 PRO 71 HB3 PRO 71 -4.734 -9.022 -7.788 489 HG2 PRO 71 HG2 PRO 71 -2.789 -9.897 -9.421 490 HG3 PRO 71 HG3 PRO 71 -3.667 -8.390 -9.736 491 HD2 PRO 71 HD2 PRO 71 -0.937 -8.783 -8.563 492 HD3 PRO 71 HD3 PRO 71 -1.495 -7.577 -9.744 493 H VAL 72 H VAL 72 -3.326 -6.246 -4.925 494 HA VAL 72 HA VAL 72 -3.025 -8.311 -2.954 495 HB VAL 72 HB VAL 72 -0.686 -7.849 -3.603 496 HG11 VAL 72 HG11 VAL 72 -0.856 -5.544 -4.261 497 HG12 VAL 72 HG12 VAL 72 0.348 -5.712 -2.983 498 HG13 VAL 72 HG13 VAL 72 -1.252 -5.069 -2.610 499 HG21 VAL 72 HG21 VAL 72 -1.401 -6.957 -0.818 500 HG22 VAL 72 HG22 VAL 72 0.191 -7.502 -1.347 501 HG23 VAL 72 HG23 VAL 72 -1.172 -8.620 -1.357 502 H ALA 73 H ALA 73 -3.746 -7.654 -0.911 503 HA ALA 73 HA ALA 73 -5.077 -5.036 -0.858 504 HB1 ALA 73 HB1 ALA 73 -6.534 -6.915 -0.429 505 HB2 ALA 73 HB2 ALA 73 -6.342 -5.982 1.055 506 HB3 ALA 73 HB3 ALA 73 -5.466 -7.499 0.847 507 H PHE 74 H PHE 74 -4.475 -3.464 0.576 508 HA PHE 74 HA PHE 74 -2.228 -4.147 2.353 509 HB2 PHE 74 HB2 PHE 74 -1.160 -2.116 1.912 510 HB3 PHE 74 HB3 PHE 74 -1.758 -2.611 0.339 511 HD1 PHE 74 HD1 PHE 74 -4.227 -1.634 -0.183 512 HD2 PHE 74 HD2 PHE 74 -1.373 0.079 2.476 513 HE1 PHE 74 HE1 PHE 74 -5.295 0.565 -0.453 514 HE2 PHE 74 HE2 PHE 74 -2.431 2.294 2.206 515 HZ PHE 74 HZ PHE 74 -4.405 2.526 0.743 516 H ARG 75 H ARG 75 -2.455 -3.800 4.440 517 HA ARG 75 HA ARG 75 -4.632 -2.015 5.309 518 HB2 ARG 75 HB2 ARG 75 -4.882 -3.423 7.301 519 HB3 ARG 75 HB3 ARG 75 -5.135 -4.356 5.832 520 HG2 ARG 75 HG2 ARG 75 -2.712 -5.077 6.051 521 HG3 ARG 75 HG3 ARG 75 -2.768 -4.394 7.677 522 HD2 ARG 75 HD2 ARG 75 -4.559 -6.564 6.596 523 HD3 ARG 75 HD3 ARG 75 -3.204 -6.795 7.700 524 HE ARG 75 HE ARG 75 -4.830 -5.000 8.970 525 HH11 ARG 75 HH11 ARG 75 -5.225 -8.214 7.644 526 HH12 ARG 75 HH12 ARG 75 -6.451 -8.675 8.780 527 HH21 ARG 75 HH21 ARG 75 -6.457 -5.596 10.469 528 HH22 ARG 75 HH22 ARG 75 -7.150 -7.185 10.397 529 H LEU 76 H LEU 76 -4.061 -0.351 6.541 530 HA LEU 76 HA LEU 76 -1.237 -0.074 7.191 531 HB2 LEU 76 HB2 LEU 76 -3.488 1.936 7.341 532 HB3 LEU 76 HB3 LEU 76 -1.785 2.286 7.577 533 HG LEU 76 HG LEU 76 -2.980 1.267 4.998 534 HD11 LEU 76 HD11 LEU 76 -2.114 4.042 5.781 535 HD12 LEU 76 HD12 LEU 76 -3.768 3.506 5.490 536 HD13 LEU 76 HD13 LEU 76 -2.605 3.536 4.165 537 HD21 LEU 76 HD21 LEU 76 -0.817 1.813 4.025 538 HD22 LEU 76 HD22 LEU 76 -0.628 0.651 5.341 539 HD23 LEU 76 HD23 LEU 76 -0.226 2.346 5.605 540 H GLN 77 H GLN 77 -0.776 -1.104 9.026 541 HA GLN 77 HA GLN 77 -2.643 -1.066 11.225 542 HB2 GLN 77 HB2 GLN 77 -1.887 -3.176 11.244 543 HB3 GLN 77 HB3 GLN 77 -0.496 -2.772 10.257 544 HG2 GLN 77 HG2 GLN 77 0.801 -2.235 12.122 545 HG3 GLN 77 HG3 GLN 77 -0.600 -2.205 13.190 546 HE21 GLN 77 HE21 GLN 77 1.903 -3.793 13.308 547 HE22 GLN 77 HE22 GLN 77 1.392 -5.438 13.384 548 HA PRO 78 HA PRO 78 -0.843 2.484 13.081 549 HB2 PRO 78 HB2 PRO 78 -1.805 1.387 15.649 550 HB3 PRO 78 HB3 PRO 78 -2.214 2.904 14.846 551 HG2 PRO 78 HG2 PRO 78 -3.953 0.883 14.934 552 HG3 PRO 78 HG3 PRO 78 -3.812 1.915 13.499 553 HD2 PRO 78 HD2 PRO 78 -2.727 -0.836 13.969 554 HD3 PRO 78 HD3 PRO 78 -3.493 -0.156 12.520 555 H GLN 79 H GLN 79 0.433 -0.534 13.579 556 HA GLN 79 HA GLN 79 2.289 0.317 15.665 557 HB2 GLN 79 HB2 GLN 79 1.977 -2.325 14.236 558 HB3 GLN 79 HB3 GLN 79 3.179 -2.008 15.479 559 HG2 GLN 79 HG2 GLN 79 1.353 -1.520 17.067 560 HG3 GLN 79 HG3 GLN 79 0.188 -1.951 15.816 561 HE21 GLN 79 HE21 GLN 79 -0.648 -3.631 17.048 562 HE22 GLN 79 HE22 GLN 79 0.215 -5.107 17.297 563 H GLY 80 H GLY 80 2.174 1.423 12.886 564 HA2 GLY 80 HA2 GLY 80 3.737 2.336 11.478 565 HA3 GLY 80 HA3 GLY 80 4.982 1.660 12.514 566 H GLN 81 H GLN 81 2.513 -0.316 10.993 567 HA GLN 81 HA GLN 81 4.550 -1.321 9.135 568 HB2 GLN 81 HB2 GLN 81 2.806 -2.985 10.951 569 HB3 GLN 81 HB3 GLN 81 3.702 -3.643 9.589 570 HG2 GLN 81 HG2 GLN 81 5.795 -2.884 10.617 571 HG3 GLN 81 HG3 GLN 81 4.880 -2.268 11.992 572 HE21 GLN 81 HE21 GLN 81 6.967 -4.310 11.873 573 HE22 GLN 81 HE22 GLN 81 6.271 -5.742 12.544 574 H ILE 82 H ILE 82 3.878 -1.629 7.137 575 HA ILE 82 HA ILE 82 1.008 -1.425 6.553 576 HB ILE 82 HB ILE 82 3.317 -1.391 4.593 577 HG12 ILE 82 HG12 ILE 82 1.782 0.946 5.757 578 HG13 ILE 82 HG13 ILE 82 3.449 0.529 6.139 579 HG21 ILE 82 HG21 ILE 82 1.660 -0.453 3.047 580 HG22 ILE 82 HG22 ILE 82 0.418 -0.614 4.288 581 HG23 ILE 82 HG23 ILE 82 1.188 -2.051 3.620 582 HD11 ILE 82 HD11 ILE 82 3.332 2.366 4.555 583 HD12 ILE 82 HD12 ILE 82 2.415 1.357 3.436 584 HD13 ILE 82 HD13 ILE 82 4.086 0.950 3.825 585 H VAL 83 H VAL 83 0.139 -3.419 6.787 586 HA VAL 83 HA VAL 83 1.668 -5.754 5.939 587 HB VAL 83 HB VAL 83 -1.051 -5.668 7.261 588 HG11 VAL 83 HG11 VAL 83 0.932 -7.916 6.920 589 HG12 VAL 83 HG12 VAL 83 -0.620 -7.754 6.099 590 HG13 VAL 83 HG13 VAL 83 -0.568 -8.006 7.844 591 HG21 VAL 83 HG21 VAL 83 1.673 -6.008 8.512 592 HG22 VAL 83 HG22 VAL 83 0.132 -6.203 9.347 593 HG23 VAL 83 HG23 VAL 83 0.596 -4.626 8.708 594 H LEU 84 H LEU 84 1.432 -6.547 3.956 595 HA LEU 84 HA LEU 84 -1.124 -6.066 2.582 596 HB2 LEU 84 HB2 LEU 84 1.648 -6.392 1.462 597 HB3 LEU 84 HB3 LEU 84 0.212 -6.552 0.472 598 HG LEU 84 HG LEU 84 -0.352 -4.176 1.418 599 HD11 LEU 84 HD11 LEU 84 1.645 -2.822 1.782 600 HD12 LEU 84 HD12 LEU 84 2.639 -4.276 1.706 601 HD13 LEU 84 HD13 LEU 84 1.470 -4.075 3.011 602 HD21 LEU 84 HD21 LEU 84 1.774 -4.608 -0.670 603 HD22 LEU 84 HD22 LEU 84 0.757 -3.177 -0.495 604 HD23 LEU 84 HD23 LEU 84 0.033 -4.724 -0.930 605 H SER 85 H SER 85 -2.076 -7.723 1.430 606 HA SER 85 HA SER 85 -0.926 -10.385 1.591 607 HB2 SER 85 HB2 SER 85 -3.187 -11.211 2.537 608 HB3 SER 85 HB3 SER 85 -2.059 -10.450 3.658 609 HG SER 85 HG SER 85 -3.356 -8.446 2.896 610 H ARG 86 H ARG 86 -1.471 -11.593 -0.143 611 HA ARG 86 HA ARG 86 -3.196 -10.430 -2.140 612 HB2 ARG 86 HB2 ARG 86 -1.145 -11.490 -2.897 613 HB3 ARG 86 HB3 ARG 86 -1.602 -13.001 -2.123 614 HG2 ARG 86 HG2 ARG 86 -3.217 -13.484 -3.716 615 HG3 ARG 86 HG3 ARG 86 -3.345 -11.802 -4.238 616 HD2 ARG 86 HD2 ARG 86 -0.863 -13.459 -4.629 617 HD3 ARG 86 HD3 ARG 86 -2.158 -13.373 -5.823 618 HE ARG 86 HE ARG 86 -1.575 -10.768 -5.330 619 HH11 ARG 86 HH11 ARG 86 0.373 -13.527 -6.259 620 HH12 ARG 86 HH12 ARG 86 1.499 -12.579 -7.181 621 HH21 ARG 86 HH21 ARG 86 -0.092 -9.525 -6.530 622 HH22 ARG 86 HH22 ARG 86 1.230 -10.300 -7.342 623 H LEU 87 H LEU 87 -5.069 -10.449 -0.920 624 HA LEU 87 HA LEU 87 -6.271 -12.677 0.223 625 HB2 LEU 87 HB2 LEU 87 -8.267 -11.364 0.363 626 HB3 LEU 87 HB3 LEU 87 -6.898 -10.331 0.681 627 HG LEU 87 HG LEU 87 -8.336 -8.994 -0.545 628 HD11 LEU 87 HD11 LEU 87 -7.329 -8.593 -2.723 629 HD12 LEU 87 HD12 LEU 87 -6.478 -10.135 -2.614 630 HD13 LEU 87 HD13 LEU 87 -6.111 -8.843 -1.471 631 HD21 LEU 87 HD21 LEU 87 -8.848 -11.295 -2.411 632 HD22 LEU 87 HD22 LEU 87 -9.500 -9.667 -2.593 633 HD23 LEU 87 HD23 LEU 87 -9.953 -10.647 -1.199 634 HA PRO 88 HA PRO 88 -7.401 -15.183 -3.231 635 HB2 PRO 88 HB2 PRO 88 -9.535 -16.462 -2.022 636 HB3 PRO 88 HB3 PRO 88 -7.845 -16.939 -1.848 637 HG2 PRO 88 HG2 PRO 88 -9.557 -15.315 -0.019 638 HG3 PRO 88 HG3 PRO 88 -8.346 -16.549 0.377 639 HD2 PRO 88 HD2 PRO 88 -7.815 -13.933 0.625 640 HD3 PRO 88 HD3 PRO 88 -6.575 -15.084 0.086 641 H THR 89 H THR 89 -8.177 -13.677 -4.689 642 HA THR 89 HA THR 89 -10.806 -12.525 -4.319 643 HB THR 89 HB THR 89 -8.971 -12.262 -6.706 644 HG1 THR 89 HG1 THR 89 -8.513 -11.439 -4.267 645 HG21 THR 89 HG21 THR 89 -11.338 -11.641 -7.057 646 HG22 THR 89 HG22 THR 89 -10.255 -10.250 -7.161 647 HG23 THR 89 HG23 THR 89 -11.220 -10.511 -5.707 648 H ALA 90 H ALA 90 -12.244 -14.203 -4.484 649 HA ALA 90 HA ALA 90 -12.243 -15.821 -6.916 650 HB1 ALA 90 HB1 ALA 90 -12.559 -16.966 -4.786 651 HB2 ALA 90 HB2 ALA 90 -13.994 -17.117 -5.799 652 HB3 ALA 90 HB3 ALA 90 -13.978 -15.975 -4.456 653 H ASN 91 H ASN 91 -13.718 -15.598 -8.513 654 HA ASN 91 HA ASN 91 -15.571 -13.338 -8.304 655 HB2 ASN 91 HB2 ASN 91 -14.484 -14.853 -10.677 656 HB3 ASN 91 HB3 ASN 91 -15.782 -13.672 -10.814 657 HD21 ASN 91 HD21 ASN 91 -15.339 -11.500 -10.454 658 HD22 ASN 91 HD22 ASN 91 -13.726 -10.878 -10.483 659 H GLY 92 H GLY 92 -15.548 -16.682 -8.078 660 HA2 GLY 92 HA2 GLY 92 -18.378 -16.873 -8.888 661 HA3 GLY 92 HA3 GLY 92 -17.273 -18.234 -8.748 662 H ASP 93 H ASP 93 -17.474 -15.679 -6.382 663 HA ASP 93 HA ASP 93 -18.456 -17.665 -4.444 664 HB2 ASP 93 HB2 ASP 93 -16.240 -16.856 -3.903 665 HB3 ASP 93 HB3 ASP 93 -16.776 -15.185 -4.041 666 H GLY 94 H GLY 94 -18.871 -14.402 -5.653 667 HA2 GLY 94 HA2 GLY 94 -20.945 -13.275 -5.705 668 HA3 GLY 94 HA3 GLY 94 -21.516 -14.314 -4.407 669 H GLY 95 H GLY 95 -18.850 -13.798 -3.020 670 HA2 GLY 95 HA2 GLY 95 -17.822 -11.956 -1.908 671 HA3 GLY 95 HA3 GLY 95 -19.267 -11.003 -2.214 672 H ALA 96 H ALA 96 -18.698 -14.195 -0.750 673 HA ALA 96 HA ALA 96 -20.690 -13.724 1.265 674 HB1 ALA 96 HB1 ALA 96 -20.273 -15.962 0.351 675 HB2 ALA 96 HB2 ALA 96 -20.089 -15.924 2.103 676 HB3 ALA 96 HB3 ALA 96 -18.663 -15.950 1.068 677 H LEU 97 H LEU 97 -19.834 -14.520 3.638 678 HA LEU 97 HA LEU 97 -18.733 -12.176 4.640 679 HB2 LEU 97 HB2 LEU 97 -20.138 -13.704 5.941 680 HB3 LEU 97 HB3 LEU 97 -18.836 -14.876 5.972 681 HG LEU 97 HG LEU 97 -17.458 -13.325 7.283 682 HD11 LEU 97 HD11 LEU 97 -18.327 -11.220 6.451 683 HD12 LEU 97 HD12 LEU 97 -18.463 -11.288 8.207 684 HD13 LEU 97 HD13 LEU 97 -19.889 -11.546 7.201 685 HD21 LEU 97 HD21 LEU 97 -20.203 -13.743 8.454 686 HD22 LEU 97 HD22 LEU 97 -18.714 -13.459 9.356 687 HD23 LEU 97 HD23 LEU 97 -18.908 -14.939 8.417 688 H ALA 98 H ALA 98 -17.133 -15.244 3.901 689 HA ALA 98 HA ALA 98 -14.682 -14.735 5.143 690 HB1 ALA 98 HB1 ALA 98 -15.337 -16.935 4.277 691 HB2 ALA 98 HB2 ALA 98 -13.751 -16.439 3.684 692 HB3 ALA 98 HB3 ALA 98 -15.159 -16.331 2.631 693 H LEU 99 H LEU 99 -15.720 -14.023 1.818 694 HA LEU 99 HA LEU 99 -13.267 -12.696 1.178 695 HB2 LEU 99 HB2 LEU 99 -14.635 -13.859 -0.522 696 HB3 LEU 99 HB3 LEU 99 -15.909 -12.677 -0.285 697 HG LEU 99 HG LEU 99 -14.420 -10.904 -1.123 698 HD11 LEU 99 HD11 LEU 99 -12.276 -11.832 -0.466 699 HD12 LEU 99 HD12 LEU 99 -12.300 -11.516 -2.200 700 HD13 LEU 99 HD13 LEU 99 -12.481 -13.165 -1.602 701 HD21 LEU 99 HD21 LEU 99 -14.673 -13.287 -2.955 702 HD22 LEU 99 HD22 LEU 99 -14.382 -11.624 -3.466 703 HD23 LEU 99 HD23 LEU 99 -15.898 -12.051 -2.675 704 H ASP 100 H ASP 100 -16.399 -11.806 2.383 705 HA ASP 100 HA ASP 100 -16.423 -9.057 1.942 706 HB2 ASP 100 HB2 ASP 100 -18.346 -10.294 2.824 707 HB3 ASP 100 HB3 ASP 100 -17.475 -10.599 4.322 708 H SER 101 H SER 101 -15.031 -10.898 4.624 709 HA SER 101 HA SER 101 -14.076 -8.633 6.045 710 HB2 SER 101 HB2 SER 101 -13.122 -11.500 6.198 711 HB3 SER 101 HB3 SER 101 -12.905 -10.253 7.426 712 HG SER 101 HG SER 101 -15.370 -10.179 7.256 713 H LEU 102 H LEU 102 -13.048 -9.971 3.164 714 HA LEU 102 HA LEU 102 -10.265 -9.124 3.552 715 HB2 LEU 102 HB2 LEU 102 -11.555 -10.701 1.325 716 HB3 LEU 102 HB3 LEU 102 -9.861 -10.253 1.378 717 HG LEU 102 HG LEU 102 -11.222 -12.011 3.418 718 HD11 LEU 102 HD11 LEU 102 -11.170 -13.111 1.257 719 HD12 LEU 102 HD12 LEU 102 -9.999 -13.848 2.350 720 HD13 LEU 102 HD13 LEU 102 -9.456 -12.741 1.091 721 HD21 LEU 102 HD21 LEU 102 -9.290 -10.818 4.302 722 HD22 LEU 102 HD22 LEU 102 -8.313 -11.368 2.941 723 HD23 LEU 102 HD23 LEU 102 -8.929 -12.534 4.112 724 H THR 103 H THR 103 -13.218 -8.351 1.903 725 HA THR 103 HA THR 103 -11.983 -6.429 0.137 726 HB THR 103 HB THR 103 -14.438 -5.800 -0.298 727 HG1 THR 103 HG1 THR 103 -15.035 -7.010 1.761 728 HG21 THR 103 HG21 THR 103 -13.502 -8.616 -0.867 729 HG22 THR 103 HG22 THR 103 -13.093 -7.183 -1.811 730 HG23 THR 103 HG23 THR 103 -14.763 -7.749 -1.743 731 H VAL 104 H VAL 104 -12.371 -6.399 3.315 732 HA VAL 104 HA VAL 104 -12.700 -3.477 3.385 733 HB VAL 104 HB VAL 104 -13.543 -3.699 5.702 734 HG11 VAL 104 HG11 VAL 104 -15.149 -3.445 3.910 735 HG12 VAL 104 HG12 VAL 104 -15.793 -4.539 5.135 736 HG13 VAL 104 HG13 VAL 104 -15.147 -5.185 3.626 737 HG21 VAL 104 HG21 VAL 104 -12.586 -5.821 6.321 738 HG22 VAL 104 HG22 VAL 104 -13.533 -6.649 5.084 739 HG23 VAL 104 HG23 VAL 104 -14.341 -5.918 6.471 740 H LEU 105 H LEU 105 -11.517 -2.496 5.251 741 HA LEU 105 HA LEU 105 -9.657 -2.113 6.487 742 HB2 LEU 105 HB2 LEU 105 -9.316 -5.111 6.414 743 HB3 LEU 105 HB3 LEU 105 -8.348 -4.020 7.386 744 HG LEU 105 HG LEU 105 -11.327 -4.429 7.678 745 HD11 LEU 105 HD11 LEU 105 -10.090 -6.397 8.369 746 HD12 LEU 105 HD12 LEU 105 -10.735 -5.552 9.776 747 HD13 LEU 105 HD13 LEU 105 -9.027 -5.403 9.364 748 HD21 LEU 105 HD21 LEU 105 -10.665 -2.189 8.319 749 HD22 LEU 105 HD22 LEU 105 -9.361 -2.832 9.315 750 HD23 LEU 105 HD23 LEU 105 -11.040 -3.140 9.754 751 H GLY 106 H GLY 106 -8.742 -4.807 4.324 752 HA2 GLY 106 HA2 GLY 106 -6.280 -3.387 3.657 753 HA3 GLY 106 HA3 GLY 106 -6.684 -5.039 3.214 754 H ALA 107 H ALA 107 -9.389 -3.941 2.315 755 HA ALA 107 HA ALA 107 -8.471 -3.128 -0.343 756 HB1 ALA 107 HB1 ALA 107 -9.882 -5.124 -0.239 757 HB2 ALA 107 HB2 ALA 107 -10.657 -3.827 -1.147 758 HB3 ALA 107 HB3 ALA 107 -11.167 -4.173 0.505 759 H GLY 108 H GLY 108 -9.834 -1.558 -1.518 760 HA2 GLY 108 HA2 GLY 108 -11.613 0.202 -1.075 761 HA3 GLY 108 HA3 GLY 108 -10.640 0.606 0.331 762 H GLY 109 H GLY 109 -9.097 -0.348 -2.632 763 HA2 GLY 109 HA2 GLY 109 -8.589 2.439 -3.356 764 HA3 GLY 109 HA3 GLY 109 -7.203 1.464 -2.896 765 H ASN 110 H ASN 110 -6.971 2.445 -5.290 766 HA ASN 110 HA ASN 110 -8.142 0.838 -7.362 767 HB2 ASN 110 HB2 ASN 110 -5.750 2.692 -7.503 768 HB3 ASN 110 HB3 ASN 110 -6.641 2.046 -8.876 769 HD21 ASN 110 HD21 ASN 110 -8.720 2.826 -9.305 770 HD22 ASN 110 HD22 ASN 110 -9.268 4.333 -8.657 771 H ASN 111 H ASN 111 -7.346 -1.056 -5.915 772 HA ASN 111 HA ASN 111 -5.260 -2.451 -7.189 773 HB2 ASN 111 HB2 ASN 111 -3.612 -2.507 -5.375 774 HB3 ASN 111 HB3 ASN 111 -3.819 -0.868 -5.975 775 HD21 ASN 111 HD21 ASN 111 -4.145 -2.997 -3.292 776 HD22 ASN 111 HD22 ASN 111 -4.624 -1.806 -2.133 777 H ALA 112 H ALA 112 -7.288 -1.929 -4.423 778 HA ALA 112 HA ALA 112 -7.853 -4.786 -4.293 779 HB1 ALA 112 HB1 ALA 112 -6.207 -4.407 -2.546 780 HB2 ALA 112 HB2 ALA 112 -7.787 -4.728 -1.828 781 HB3 ALA 112 HB3 ALA 112 -7.168 -3.078 -1.901 Start of MODEL 16 1 H1 SER 6 H1 SER 6 -8.092 8.910 -0.559 2 H2 SER 6 H2 SER 6 -7.661 8.923 1.079 3 H3 SER 6 H3 SER 6 -7.588 10.350 0.168 4 HA SER 6 HA SER 6 -9.972 10.309 -0.139 5 HB2 SER 6 HB2 SER 6 -9.853 7.945 1.755 6 HB3 SER 6 HB3 SER 6 -11.316 8.677 1.095 7 HG SER 6 HG SER 6 -10.936 7.776 -0.815 8 H MET 7 H MET 7 -11.254 11.499 1.309 9 HA MET 7 HA MET 7 -11.589 13.031 2.953 10 HB2 MET 7 HB2 MET 7 -11.814 10.888 4.256 11 HB3 MET 7 HB3 MET 7 -10.133 11.068 4.734 12 HG2 MET 7 HG2 MET 7 -11.597 11.841 6.488 13 HG3 MET 7 HG3 MET 7 -10.676 13.189 5.826 14 HE1 MET 7 HE1 MET 7 -12.332 14.915 6.983 15 HE2 MET 7 HE2 MET 7 -13.243 13.566 7.662 16 HE3 MET 7 HE3 MET 7 -14.085 14.855 6.801 17 H ALA 8 H ALA 8 -9.911 14.196 1.611 18 HA ALA 8 HA ALA 8 -7.202 14.283 2.449 19 HB1 ALA 8 HB1 ALA 8 -7.915 14.830 0.168 20 HB2 ALA 8 HB2 ALA 8 -6.963 16.124 0.892 21 HB3 ALA 8 HB3 ALA 8 -8.714 16.280 0.775 22 H GLN 9 H GLN 9 -9.989 15.672 3.766 23 HA GLN 9 HA GLN 9 -8.698 17.972 4.916 24 HB2 GLN 9 HB2 GLN 9 -11.360 16.670 5.506 25 HB3 GLN 9 HB3 GLN 9 -10.797 18.155 6.262 26 HG2 GLN 9 HG2 GLN 9 -11.369 17.713 3.344 27 HG3 GLN 9 HG3 GLN 9 -12.293 18.698 4.476 28 HE21 GLN 9 HE21 GLN 9 -11.436 20.671 5.174 29 HE22 GLN 9 HE22 GLN 9 -10.172 21.467 4.302 30 H ALA 10 H ALA 10 -8.725 14.678 5.600 31 HA ALA 10 HA ALA 10 -7.864 15.184 8.374 32 HB1 ALA 10 HB1 ALA 10 -9.913 13.831 8.231 33 HB2 ALA 10 HB2 ALA 10 -8.569 12.933 8.935 34 HB3 ALA 10 HB3 ALA 10 -9.043 12.640 7.262 35 H ALA 11 H ALA 11 -7.316 13.223 5.478 36 HA ALA 11 HA ALA 11 -4.898 12.053 6.453 37 HB1 ALA 11 HB1 ALA 11 -5.954 12.233 3.634 38 HB2 ALA 11 HB2 ALA 11 -6.295 10.939 4.781 39 HB3 ALA 11 HB3 ALA 11 -4.652 11.182 4.189 40 H GLN 12 H GLN 12 -2.825 12.684 6.171 41 HA GLN 12 HA GLN 12 -2.374 15.424 5.392 42 HB2 GLN 12 HB2 GLN 12 -0.135 15.131 6.203 43 HB3 GLN 12 HB3 GLN 12 -1.223 14.357 7.345 44 HG2 GLN 12 HG2 GLN 12 -0.673 12.182 6.456 45 HG3 GLN 12 HG3 GLN 12 0.328 12.916 5.206 46 HE21 GLN 12 HE21 GLN 12 0.079 12.070 8.550 47 HE22 GLN 12 HE22 GLN 12 1.731 12.367 8.961 48 H GLN 13 H GLN 13 -0.948 16.117 3.745 49 HA GLN 13 HA GLN 13 -0.576 14.134 1.604 50 HB2 GLN 13 HB2 GLN 13 -0.480 16.091 0.063 51 HB3 GLN 13 HB3 GLN 13 -2.028 15.918 0.881 52 HG2 GLN 13 HG2 GLN 13 -1.449 17.678 2.425 53 HG3 GLN 13 HG3 GLN 13 0.158 17.809 1.715 54 HE21 GLN 13 HE21 GLN 13 -0.125 19.951 1.197 55 HE22 GLN 13 HE22 GLN 13 -1.170 20.478 -0.077 56 H LYS 14 H LYS 14 1.411 13.720 0.852 57 HA LYS 14 HA LYS 14 3.610 15.533 1.561 58 HB2 LYS 14 HB2 LYS 14 3.472 12.561 2.024 59 HB3 LYS 14 HB3 LYS 14 5.014 13.371 1.808 60 HG2 LYS 14 HG2 LYS 14 3.007 14.076 3.939 61 HG3 LYS 14 HG3 LYS 14 4.393 13.009 4.177 62 HD2 LYS 14 HD2 LYS 14 5.849 14.913 3.402 63 HD3 LYS 14 HD3 LYS 14 4.417 15.938 3.479 64 HE2 LYS 14 HE2 LYS 14 5.588 14.389 5.787 65 HE3 LYS 14 HE3 LYS 14 5.804 16.114 5.501 66 HZ1 LYS 14 HZ1 LYS 14 4.089 15.828 7.095 67 HZ2 LYS 14 HZ2 LYS 14 3.267 14.709 6.129 68 HZ3 LYS 14 HZ3 LYS 14 3.354 16.333 5.659 69 H ASN 15 H ASN 15 5.225 15.677 0.010 70 HA ASN 15 HA ASN 15 4.487 14.728 -2.623 71 HB2 ASN 15 HB2 ASN 15 5.389 17.053 -2.183 72 HB3 ASN 15 HB3 ASN 15 6.950 16.304 -1.870 73 HD21 ASN 15 HD21 ASN 15 8.116 15.415 -3.578 74 HD22 ASN 15 HD22 ASN 15 7.720 15.741 -5.231 75 H PHE 16 H PHE 16 4.856 12.615 -2.854 76 HA PHE 16 HA PHE 16 7.394 11.516 -1.892 77 HB2 PHE 16 HB2 PHE 16 4.793 10.234 -2.708 78 HB3 PHE 16 HB3 PHE 16 6.265 9.298 -2.475 79 HD1 PHE 16 HD1 PHE 16 7.436 9.583 -0.206 80 HD2 PHE 16 HD2 PHE 16 3.383 10.603 -0.925 81 HE1 PHE 16 HE1 PHE 16 6.979 9.419 2.211 82 HE2 PHE 16 HE2 PHE 16 2.902 10.443 1.484 83 HZ PHE 16 HZ PHE 16 4.704 9.850 3.058 84 H ASN 17 H ASN 17 8.810 10.484 -3.213 85 HA ASN 17 HA ASN 17 8.234 10.289 -6.053 86 HB2 ASN 17 HB2 ASN 17 10.388 11.416 -6.641 87 HB3 ASN 17 HB3 ASN 17 9.192 12.495 -5.942 88 HD21 ASN 17 HD21 ASN 17 12.321 11.150 -5.651 89 HD22 ASN 17 HD22 ASN 17 12.792 11.984 -4.210 90 H ILE 18 H ILE 18 8.371 8.133 -6.061 91 HA ILE 18 HA ILE 18 10.832 6.911 -4.981 92 HB ILE 18 HB ILE 18 8.194 5.488 -5.348 93 HG12 ILE 18 HG12 ILE 18 7.894 7.308 -3.712 94 HG13 ILE 18 HG13 ILE 18 7.797 5.729 -2.949 95 HG21 ILE 18 HG21 ILE 18 10.673 4.793 -3.778 96 HG22 ILE 18 HG22 ILE 18 10.132 4.038 -5.277 97 HG23 ILE 18 HG23 ILE 18 9.183 3.848 -3.803 98 HD11 ILE 18 HD11 ILE 18 9.020 7.320 -1.585 99 HD12 ILE 18 HD12 ILE 18 10.175 7.570 -2.897 100 HD13 ILE 18 HD13 ILE 18 10.065 5.997 -2.107 101 H ALA 19 H ALA 19 12.139 6.238 -6.543 102 HA ALA 19 HA ALA 19 11.269 5.704 -9.217 103 HB1 ALA 19 HB1 ALA 19 13.578 4.991 -9.595 104 HB2 ALA 19 HB2 ALA 19 13.884 5.039 -7.860 105 HB3 ALA 19 HB3 ALA 19 13.528 6.529 -8.735 106 H ALA 20 H ALA 20 11.406 3.597 -10.271 107 HA ALA 20 HA ALA 20 10.018 1.647 -8.764 108 HB1 ALA 20 HB1 ALA 20 10.155 0.271 -10.775 109 HB2 ALA 20 HB2 ALA 20 11.357 1.368 -11.454 110 HB3 ALA 20 HB3 ALA 20 9.708 1.930 -11.178 111 H GLN 21 H GLN 21 11.076 0.809 -7.098 112 HA GLN 21 HA GLN 21 13.607 -0.601 -7.565 113 HB2 GLN 21 HB2 GLN 21 12.205 0.221 -5.014 114 HB3 GLN 21 HB3 GLN 21 13.653 -0.772 -5.054 115 HG2 GLN 21 HG2 GLN 21 14.801 1.105 -6.239 116 HG3 GLN 21 HG3 GLN 21 13.365 2.084 -5.935 117 HE21 GLN 21 HE21 GLN 21 14.447 3.534 -4.640 118 HE22 GLN 21 HE22 GLN 21 15.014 3.134 -3.058 119 HA PRO 22 HA PRO 22 11.619 -4.649 -6.695 120 HB2 PRO 22 HB2 PRO 22 13.475 -4.827 -4.371 121 HB3 PRO 22 HB3 PRO 22 13.167 -6.006 -5.652 122 HG2 PRO 22 HG2 PRO 22 15.417 -4.585 -5.628 123 HG3 PRO 22 HG3 PRO 22 14.582 -4.943 -7.151 124 HD2 PRO 22 HD2 PRO 22 14.662 -2.403 -5.583 125 HD3 PRO 22 HD3 PRO 22 14.656 -2.643 -7.342 126 H LEU 23 H LEU 23 9.962 -5.269 -5.273 127 HA LEU 23 HA LEU 23 8.599 -3.140 -4.184 128 HB2 LEU 23 HB2 LEU 23 7.575 -5.257 -4.919 129 HB3 LEU 23 HB3 LEU 23 8.192 -6.036 -3.473 130 HG LEU 23 HG LEU 23 6.804 -4.606 -2.071 131 HD11 LEU 23 HD11 LEU 23 6.817 -2.599 -3.447 132 HD12 LEU 23 HD12 LEU 23 5.163 -3.094 -3.074 133 HD13 LEU 23 HD13 LEU 23 5.839 -3.419 -4.670 134 HD21 LEU 23 HD21 LEU 23 5.850 -6.696 -2.842 135 HD22 LEU 23 HD22 LEU 23 5.287 -5.920 -4.322 136 HD23 LEU 23 HD23 LEU 23 4.601 -5.454 -2.766 137 H GLN 24 H GLN 24 10.501 -5.555 -2.368 138 HA GLN 24 HA GLN 24 9.703 -4.546 0.167 139 HB2 GLN 24 HB2 GLN 24 12.066 -6.262 -0.602 140 HB3 GLN 24 HB3 GLN 24 11.583 -5.918 1.053 141 HG2 GLN 24 HG2 GLN 24 9.458 -7.015 0.695 142 HG3 GLN 24 HG3 GLN 24 9.866 -7.301 -0.996 143 HE21 GLN 24 HE21 GLN 24 9.639 -9.516 -0.760 144 HE22 GLN 24 HE22 GLN 24 10.805 -10.479 0.082 145 H SER 25 H SER 25 12.598 -4.056 -1.821 146 HA SER 25 HA SER 25 13.907 -2.294 -0.041 147 HB2 SER 25 HB2 SER 25 15.029 -3.458 -1.931 148 HB3 SER 25 HB3 SER 25 14.131 -2.450 -3.062 149 HG SER 25 HG SER 25 15.237 -0.661 -2.354 150 H ALA 26 H ALA 26 11.549 -1.862 -2.582 151 HA ALA 26 HA ALA 26 11.538 0.885 -2.929 152 HB1 ALA 26 HB1 ALA 26 9.151 -0.976 -2.917 153 HB2 ALA 26 HB2 ALA 26 10.239 -0.707 -4.286 154 HB3 ALA 26 HB3 ALA 26 9.237 0.614 -3.686 155 H MET 27 H MET 27 9.498 -1.022 -0.738 156 HA MET 27 HA MET 27 8.375 1.352 0.403 157 HB2 MET 27 HB2 MET 27 8.084 -1.501 1.333 158 HB3 MET 27 HB3 MET 27 7.055 -0.142 1.774 159 HG2 MET 27 HG2 MET 27 7.333 -1.441 -0.917 160 HG3 MET 27 HG3 MET 27 5.909 -1.391 0.121 161 HE1 MET 27 HE1 MET 27 5.429 0.811 -3.244 162 HE2 MET 27 HE2 MET 27 4.728 -0.554 -2.385 163 HE3 MET 27 HE3 MET 27 6.381 -0.650 -2.993 164 H LEU 28 H LEU 28 11.129 -0.557 1.055 165 HA LEU 28 HA LEU 28 11.487 0.157 3.766 166 HB2 LEU 28 HB2 LEU 28 12.850 -1.562 2.723 167 HB3 LEU 28 HB3 LEU 28 13.514 -0.396 1.593 168 HG LEU 28 HG LEU 28 14.553 0.792 3.538 169 HD11 LEU 28 HD11 LEU 28 13.646 -1.660 5.041 170 HD12 LEU 28 HD12 LEU 28 13.084 -0.007 5.299 171 HD13 LEU 28 HD13 LEU 28 14.759 -0.434 5.648 172 HD21 LEU 28 HD21 LEU 28 15.328 -2.095 3.148 173 HD22 LEU 28 HD22 LEU 28 16.356 -0.833 3.829 174 HD23 LEU 28 HD23 LEU 28 15.838 -0.735 2.146 175 H ARG 29 H ARG 29 11.987 1.816 0.729 176 HA ARG 29 HA ARG 29 13.333 4.041 2.016 177 HB2 ARG 29 HB2 ARG 29 12.380 3.750 -0.838 178 HB3 ARG 29 HB3 ARG 29 13.453 5.002 -0.223 179 HG2 ARG 29 HG2 ARG 29 14.048 2.051 -0.331 180 HG3 ARG 29 HG3 ARG 29 14.707 3.290 -1.397 181 HD2 ARG 29 HD2 ARG 29 15.828 4.348 0.472 182 HD3 ARG 29 HD3 ARG 29 15.090 3.205 1.592 183 HE ARG 29 HE ARG 29 16.721 2.051 -0.509 184 HH11 ARG 29 HH11 ARG 29 16.547 3.154 2.808 185 HH12 ARG 29 HH12 ARG 29 17.941 2.257 3.313 186 HH21 ARG 29 HH21 ARG 29 18.539 0.855 0.153 187 HH22 ARG 29 HH22 ARG 29 19.077 0.944 1.800 188 H PHE 30 H PHE 30 10.210 3.352 0.515 189 HA PHE 30 HA PHE 30 9.171 5.978 0.874 190 HB2 PHE 30 HB2 PHE 30 8.127 4.703 -0.812 191 HB3 PHE 30 HB3 PHE 30 7.927 3.311 0.244 192 HD1 PHE 30 HD2 PHE 30 6.817 6.850 -0.105 193 HD2 PHE 30 HD1 PHE 30 5.875 2.923 1.224 194 HE1 PHE 30 HE2 PHE 30 4.530 7.583 0.420 195 HE2 PHE 30 HE1 PHE 30 3.588 3.652 1.764 196 HZ PHE 30 HZ PHE 30 2.911 5.982 1.359 197 H ALA 31 H ALA 31 8.591 2.925 2.625 198 HA ALA 31 HA ALA 31 6.674 4.153 4.325 199 HB1 ALA 31 HB1 ALA 31 6.529 2.015 5.438 200 HB2 ALA 31 HB2 ALA 31 7.997 1.468 4.626 201 HB3 ALA 31 HB3 ALA 31 6.540 1.795 3.687 202 H GLU 32 H GLU 32 10.142 3.499 4.664 203 HA GLU 32 HA GLU 32 10.266 3.896 7.452 204 HB2 GLU 32 HB2 GLU 32 12.291 4.274 5.267 205 HB3 GLU 32 HB3 GLU 32 12.668 4.655 6.940 206 HG2 GLU 32 HG2 GLU 32 11.716 1.967 5.983 207 HG3 GLU 32 HG3 GLU 32 13.407 2.403 6.215 208 H GLN 33 H GLN 33 9.944 6.133 4.811 209 HA GLN 33 HA GLN 33 10.497 8.434 6.483 210 HB2 GLN 33 HB2 GLN 33 9.469 8.224 3.646 211 HB3 GLN 33 HB3 GLN 33 9.834 9.737 4.463 212 HG2 GLN 33 HG2 GLN 33 11.835 7.545 3.962 213 HG3 GLN 33 HG3 GLN 33 11.616 8.958 2.932 214 HE21 GLN 33 HE21 GLN 33 13.747 9.608 3.295 215 HE22 GLN 33 HE22 GLN 33 14.241 10.324 4.791 216 H ALA 34 H ALA 34 7.855 6.436 5.744 217 HA ALA 34 HA ALA 34 5.877 8.458 6.477 218 HB1 ALA 34 HB1 ALA 34 5.428 6.986 4.550 219 HB2 ALA 34 HB2 ALA 34 4.211 6.834 5.818 220 HB3 ALA 34 HB3 ALA 34 5.451 5.594 5.633 221 H GLY 35 H GLY 35 7.696 5.939 7.886 222 HA2 GLY 35 HA2 GLY 35 7.840 5.697 10.252 223 HA3 GLY 35 HA3 GLY 35 6.181 6.256 10.382 224 H MET 36 H MET 36 6.927 3.903 7.976 225 HA MET 36 HA MET 36 5.926 1.714 9.656 226 HB2 MET 36 HB2 MET 36 4.723 2.617 7.036 227 HB3 MET 36 HB3 MET 36 4.418 1.039 7.743 228 HG2 MET 36 HG2 MET 36 3.363 2.029 9.650 229 HG3 MET 36 HG3 MET 36 3.807 3.646 9.111 230 HE1 MET 36 HE1 MET 36 1.526 4.238 6.053 231 HE2 MET 36 HE2 MET 36 3.193 3.667 6.031 232 HE3 MET 36 HE3 MET 36 2.707 4.923 7.169 233 H GLN 37 H GLN 37 6.015 -0.422 8.264 234 HA GLN 37 HA GLN 37 7.890 -0.340 6.059 235 HB2 GLN 37 HB2 GLN 37 9.280 -0.510 8.172 236 HB3 GLN 37 HB3 GLN 37 8.536 -2.081 8.442 237 HG2 GLN 37 HG2 GLN 37 9.450 -2.893 6.342 238 HG3 GLN 37 HG3 GLN 37 10.164 -1.312 6.023 239 HE21 GLN 37 HE21 GLN 37 11.885 -0.606 7.325 240 HE22 GLN 37 HE22 GLN 37 12.871 -1.734 8.187 241 H VAL 38 H VAL 38 7.735 -2.174 4.724 242 HA VAL 38 HA VAL 38 5.268 -3.624 5.018 243 HB VAL 38 HB VAL 38 5.977 -4.724 2.845 244 HG11 VAL 38 HG11 VAL 38 4.404 -2.885 2.922 245 HG12 VAL 38 HG12 VAL 38 5.456 -2.733 1.517 246 HG13 VAL 38 HG13 VAL 38 5.732 -1.724 2.936 247 HG21 VAL 38 HG21 VAL 38 8.169 -2.657 3.022 248 HG22 VAL 38 HG22 VAL 38 7.736 -3.534 1.555 249 HG23 VAL 38 HG23 VAL 38 8.370 -4.408 2.954 250 H PHE 39 H PHE 39 4.964 -5.737 5.433 251 HA PHE 39 HA PHE 39 7.350 -7.309 6.145 252 HB2 PHE 39 HB2 PHE 39 6.173 -6.685 8.174 253 HB3 PHE 39 HB3 PHE 39 4.653 -7.265 7.503 254 HD1 PHE 39 HD2 PHE 39 8.024 -8.380 8.578 255 HD2 PHE 39 HD1 PHE 39 3.993 -9.487 7.784 256 HE1 PHE 39 HE2 PHE 39 8.452 -10.607 9.530 257 HE2 PHE 39 HE1 PHE 39 4.415 -11.715 8.733 258 HZ PHE 39 HZ PHE 39 6.644 -12.278 9.608 259 H PHE 40 H PHE 40 7.513 -9.292 5.341 260 HA PHE 40 HA PHE 40 5.160 -10.536 4.095 261 HB2 PHE 40 HB2 PHE 40 7.976 -10.442 2.972 262 HB3 PHE 40 HB3 PHE 40 6.673 -11.427 2.319 263 HD1 PHE 40 HD1 PHE 40 7.744 -7.934 2.932 264 HD2 PHE 40 HD2 PHE 40 5.128 -10.530 0.802 265 HE1 PHE 40 HE1 PHE 40 7.062 -6.061 1.491 266 HE2 PHE 40 HE2 PHE 40 4.434 -8.657 -0.634 267 HZ PHE 40 HZ PHE 40 5.402 -6.418 -0.290 268 H ASP 41 H ASP 41 5.231 -12.861 4.104 269 HA ASP 41 HA ASP 41 6.583 -13.946 6.404 270 HB2 ASP 41 HB2 ASP 41 4.749 -15.162 4.339 271 HB3 ASP 41 HB3 ASP 41 5.498 -16.113 5.614 272 H GLU 42 H GLU 42 7.366 -16.428 5.822 273 HA GLU 42 HA GLU 42 9.810 -16.001 4.382 274 HB2 GLU 42 HB2 GLU 42 8.672 -18.557 5.527 275 HB3 GLU 42 HB3 GLU 42 10.320 -18.327 4.962 276 HG2 GLU 42 HG2 GLU 42 10.618 -16.597 6.717 277 HG3 GLU 42 HG3 GLU 42 9.015 -17.009 7.327 278 H VAL 43 H VAL 43 9.174 -15.565 2.283 279 HA VAL 43 HA VAL 43 8.833 -17.900 0.649 280 HB VAL 43 HB VAL 43 6.488 -17.445 1.144 281 HG11 VAL 43 HG11 VAL 43 6.605 -15.103 1.727 282 HG12 VAL 43 HG12 VAL 43 5.425 -15.337 0.436 283 HG13 VAL 43 HG13 VAL 43 7.019 -14.680 0.066 284 HG21 VAL 43 HG21 VAL 43 5.641 -17.181 -1.141 285 HG22 VAL 43 HG22 VAL 43 7.026 -18.273 -1.077 286 HG23 VAL 43 HG23 VAL 43 7.232 -16.621 -1.660 287 H LYS 44 H LYS 44 9.837 -17.620 -1.259 288 HA LYS 44 HA LYS 44 10.887 -14.951 -1.830 289 HB2 LYS 44 HB2 LYS 44 12.555 -16.719 -1.702 290 HB3 LYS 44 HB3 LYS 44 11.684 -17.664 -2.904 291 HG2 LYS 44 HG2 LYS 44 12.090 -15.896 -4.561 292 HG3 LYS 44 HG3 LYS 44 13.012 -15.000 -3.355 293 HD2 LYS 44 HD2 LYS 44 13.683 -17.787 -4.283 294 HD3 LYS 44 HD3 LYS 44 14.409 -16.319 -4.935 295 HE2 LYS 44 HE2 LYS 44 15.238 -15.757 -2.692 296 HE3 LYS 44 HE3 LYS 44 14.546 -17.257 -2.076 297 HZ1 LYS 44 HZ1 LYS 44 16.656 -17.052 -4.150 298 HZ2 LYS 44 HZ2 LYS 44 15.993 -18.490 -3.565 299 HZ3 LYS 44 HZ3 LYS 44 16.900 -17.499 -2.537 300 H LEU 45 H LEU 45 10.005 -13.774 -3.364 301 HA LEU 45 HA LEU 45 8.730 -15.124 -5.624 302 HB2 LEU 45 HB2 LEU 45 6.901 -13.476 -5.626 303 HB3 LEU 45 HB3 LEU 45 6.892 -14.495 -4.204 304 HG LEU 45 HG LEU 45 8.117 -11.753 -4.105 305 HD11 LEU 45 HD11 LEU 45 5.950 -10.903 -3.334 306 HD12 LEU 45 HD12 LEU 45 5.208 -12.454 -3.728 307 HD13 LEU 45 HD13 LEU 45 5.883 -11.448 -5.009 308 HD21 LEU 45 HD21 LEU 45 8.520 -13.279 -2.230 309 HD22 LEU 45 HD22 LEU 45 6.781 -13.496 -2.033 310 HD23 LEU 45 HD23 LEU 45 7.511 -11.916 -1.747 311 H ASP 46 H ASP 46 9.848 -14.571 -7.338 312 HA ASP 46 HA ASP 46 11.301 -12.075 -7.444 313 HB2 ASP 46 HB2 ASP 46 12.146 -12.901 -9.605 314 HB3 ASP 46 HB3 ASP 46 12.356 -14.097 -8.331 315 H GLY 47 H GLY 47 11.024 -10.479 -9.057 316 HA2 GLY 47 HA2 GLY 47 9.811 -9.523 -10.889 317 HA3 GLY 47 HA3 GLY 47 8.445 -10.548 -10.474 318 H MET 48 H MET 48 9.772 -9.311 -7.683 319 HA MET 48 HA MET 48 7.553 -7.625 -7.137 320 HB2 MET 48 HB2 MET 48 10.222 -7.890 -5.741 321 HB3 MET 48 HB3 MET 48 8.884 -6.933 -5.131 322 HG2 MET 48 HG2 MET 48 7.516 -8.972 -5.004 323 HG3 MET 48 HG3 MET 48 8.905 -9.913 -5.548 324 HE1 MET 48 HE1 MET 48 11.437 -9.383 -2.598 325 HE2 MET 48 HE2 MET 48 11.297 -8.384 -4.044 326 HE3 MET 48 HE3 MET 48 11.164 -10.138 -4.169 327 H GLN 49 H GLN 49 7.228 -5.607 -7.823 328 HA GLN 49 HA GLN 49 9.501 -3.850 -8.281 329 HB2 GLN 49 HB2 GLN 49 8.682 -3.291 -10.569 330 HB3 GLN 49 HB3 GLN 49 9.294 -4.933 -10.415 331 HG2 GLN 49 HG2 GLN 49 6.845 -5.597 -10.040 332 HG3 GLN 49 HG3 GLN 49 6.461 -4.004 -10.689 333 HE21 GLN 49 HE21 GLN 49 7.727 -7.146 -11.364 334 HE22 GLN 49 HE22 GLN 49 7.747 -7.001 -13.089 335 H ALA 50 H ALA 50 9.075 -1.786 -7.852 336 HA ALA 50 HA ALA 50 6.370 -1.063 -7.036 337 HB1 ALA 50 HB1 ALA 50 8.961 0.473 -6.848 338 HB2 ALA 50 HB2 ALA 50 8.221 -0.474 -5.558 339 HB3 ALA 50 HB3 ALA 50 7.416 0.974 -6.162 340 H ALA 51 H ALA 51 5.195 0.607 -7.977 341 HA ALA 51 HA ALA 51 5.824 1.100 -10.758 342 HB1 ALA 51 HB1 ALA 51 3.464 1.972 -9.097 343 HB2 ALA 51 HB2 ALA 51 3.542 0.547 -10.135 344 HB3 ALA 51 HB3 ALA 51 3.620 2.159 -10.845 345 H ALA 52 H ALA 52 5.620 3.292 -11.660 346 HA ALA 52 HA ALA 52 7.460 5.060 -10.464 347 HB1 ALA 52 HB1 ALA 52 5.513 5.595 -12.705 348 HB2 ALA 52 HB2 ALA 52 7.127 4.907 -12.883 349 HB3 ALA 52 HB3 ALA 52 6.934 6.562 -12.308 350 H LEU 53 H LEU 53 6.883 5.796 -8.498 351 HA LEU 53 HA LEU 53 4.325 7.204 -8.208 352 HB2 LEU 53 HB2 LEU 53 4.839 5.376 -6.622 353 HB3 LEU 53 HB3 LEU 53 6.289 6.215 -6.127 354 HG LEU 53 HG LEU 53 4.331 6.331 -4.538 355 HD11 LEU 53 HD11 LEU 53 6.185 7.864 -4.347 356 HD12 LEU 53 HD12 LEU 53 4.665 8.674 -3.979 357 HD13 LEU 53 HD13 LEU 53 5.449 8.936 -5.536 358 HD21 LEU 53 HD21 LEU 53 2.541 6.649 -6.130 359 HD22 LEU 53 HD22 LEU 53 3.241 8.184 -6.643 360 HD23 LEU 53 HD23 LEU 53 2.611 8.006 -5.006 361 H ASN 54 H ASN 54 4.373 9.344 -8.377 362 HA ASN 54 HA ASN 54 6.402 10.899 -7.060 363 HB2 ASN 54 HB2 ASN 54 7.485 10.374 -9.250 364 HB3 ASN 54 HB3 ASN 54 6.135 11.159 -10.066 365 HD21 ASN 54 HD21 ASN 54 5.948 13.397 -9.988 366 HD22 ASN 54 HD22 ASN 54 7.247 14.413 -9.466 367 H GLY 55 H GLY 55 4.855 11.957 -5.920 368 HA2 GLY 55 HA2 GLY 55 3.534 14.139 -7.077 369 HA3 GLY 55 HA3 GLY 55 2.377 12.822 -6.949 370 H SER 56 H SER 56 1.949 15.164 -5.597 371 HA SER 56 HA SER 56 2.684 14.638 -2.823 372 HB2 SER 56 HB2 SER 56 2.848 16.961 -3.735 373 HB3 SER 56 HB3 SER 56 1.103 16.947 -3.974 374 HG SER 56 HG SER 56 1.101 17.714 -2.015 375 H MET 57 H MET 57 1.471 13.178 -1.846 376 HA MET 57 HA MET 57 -1.393 13.437 -1.796 377 HB2 MET 57 HB2 MET 57 -1.832 11.152 -2.650 378 HB3 MET 57 HB3 MET 57 -1.183 12.227 -3.878 379 HG2 MET 57 HG2 MET 57 1.070 11.230 -3.427 380 HG3 MET 57 HG3 MET 57 0.263 10.044 -2.403 381 HE1 MET 57 HE1 MET 57 -0.938 11.645 -5.833 382 HE2 MET 57 HE2 MET 57 -0.345 10.431 -6.966 383 HE3 MET 57 HE3 MET 57 0.796 11.394 -6.027 384 H SER 58 H SER 58 -2.305 11.397 -0.564 385 HA SER 58 HA SER 58 -0.782 11.258 1.889 386 HB2 SER 58 HB2 SER 58 -3.433 9.945 1.265 387 HB3 SER 58 HB3 SER 58 -2.768 10.318 2.853 388 HG SER 58 HG SER 58 -2.923 12.540 2.310 389 H VAL 59 H VAL 59 -0.931 8.968 3.041 390 HA VAL 59 HA VAL 59 0.774 7.207 1.674 391 HB VAL 59 HB VAL 59 -1.069 6.493 3.958 392 HG11 VAL 59 HG11 VAL 59 1.523 5.229 3.068 393 HG12 VAL 59 HG12 VAL 59 -0.084 4.565 2.775 394 HG13 VAL 59 HG13 VAL 59 0.519 4.719 4.424 395 HG21 VAL 59 HG21 VAL 59 0.837 6.999 5.418 396 HG22 VAL 59 HG22 VAL 59 0.304 8.427 4.531 397 HG23 VAL 59 HG23 VAL 59 1.755 7.561 4.022 398 H GLU 60 H GLU 60 -2.724 7.270 2.012 399 HA GLU 60 HA GLU 60 -3.372 4.801 0.984 400 HB2 GLU 60 HB2 GLU 60 -4.835 7.394 0.486 401 HB3 GLU 60 HB3 GLU 60 -5.508 5.783 0.276 402 HG2 GLU 60 HG2 GLU 60 -5.062 5.397 2.716 403 HG3 GLU 60 HG3 GLU 60 -4.675 7.113 2.836 404 H GLN 61 H GLN 61 -3.480 7.774 -0.996 405 HA GLN 61 HA GLN 61 -3.727 6.388 -3.411 406 HB2 GLN 61 HB2 GLN 61 -2.775 9.194 -2.857 407 HB3 GLN 61 HB3 GLN 61 -3.075 8.570 -4.473 408 HG2 GLN 61 HG2 GLN 61 -5.101 8.814 -2.263 409 HG3 GLN 61 HG3 GLN 61 -4.959 9.863 -3.671 410 HE21 GLN 61 HE21 GLN 61 -7.197 8.229 -2.794 411 HE22 GLN 61 HE22 GLN 61 -7.555 7.148 -4.091 412 H GLY 62 H GLY 62 -0.848 7.651 -1.783 413 HA2 GLY 62 HA2 GLY 62 0.984 7.199 -3.858 414 HA3 GLY 62 HA3 GLY 62 1.383 7.259 -2.147 415 H LEU 63 H LEU 63 0.112 5.132 -1.117 416 HA LEU 63 HA LEU 63 1.833 2.997 -1.829 417 HB2 LEU 63 HB2 LEU 63 0.712 3.588 0.423 418 HB3 LEU 63 HB3 LEU 63 -0.682 2.741 -0.202 419 HG LEU 63 HG LEU 63 0.720 1.421 1.343 420 HD11 LEU 63 HD11 LEU 63 -0.779 0.354 -0.257 421 HD12 LEU 63 HD12 LEU 63 0.661 -0.616 0.045 422 HD13 LEU 63 HD13 LEU 63 0.523 0.315 -1.447 423 HD21 LEU 63 HD21 LEU 63 2.832 0.524 0.618 424 HD22 LEU 63 HD22 LEU 63 2.908 2.285 0.581 425 HD23 LEU 63 HD23 LEU 63 2.711 1.380 -0.918 426 H ARG 64 H ARG 64 -1.556 3.724 -2.475 427 HA ARG 64 HA ARG 64 -2.312 1.254 -3.550 428 HB2 ARG 64 HB2 ARG 64 -3.372 4.027 -4.113 429 HB3 ARG 64 HB3 ARG 64 -4.138 2.551 -4.686 430 HG2 ARG 64 HG2 ARG 64 -4.501 1.815 -2.411 431 HG3 ARG 64 HG3 ARG 64 -3.648 3.228 -1.794 432 HD2 ARG 64 HD2 ARG 64 -5.400 4.620 -2.998 433 HD3 ARG 64 HD3 ARG 64 -6.300 3.116 -3.199 434 HE ARG 64 HE ARG 64 -5.476 3.839 -0.497 435 HH11 ARG 64 HH11 ARG 64 -8.050 3.423 -2.830 436 HH12 ARG 64 HH12 ARG 64 -9.311 3.758 -1.673 437 HH21 ARG 64 HH21 ARG 64 -7.146 4.217 1.031 438 HH22 ARG 64 HH22 ARG 64 -8.797 4.194 0.507 439 H ARG 65 H ARG 65 -0.968 4.123 -5.141 440 HA ARG 65 HA ARG 65 -0.983 2.910 -7.736 441 HB2 ARG 65 HB2 ARG 65 0.472 5.332 -6.678 442 HB3 ARG 65 HB3 ARG 65 0.440 4.853 -8.370 443 HG2 ARG 65 HG2 ARG 65 -1.959 5.156 -8.441 444 HG3 ARG 65 HG3 ARG 65 -1.978 5.553 -6.722 445 HD2 ARG 65 HD2 ARG 65 -2.084 7.571 -8.037 446 HD3 ARG 65 HD3 ARG 65 -0.552 7.494 -7.174 447 HE ARG 65 HE ARG 65 0.268 6.552 -9.451 448 HH11 ARG 65 HH11 ARG 65 -2.106 9.079 -8.992 449 HH12 ARG 65 HH12 ARG 65 -1.717 9.887 -10.477 450 HH21 ARG 65 HH21 ARG 65 0.780 7.612 -11.408 451 HH22 ARG 65 HH22 ARG 65 -0.094 9.046 -11.859 452 H LEU 66 H LEU 66 1.148 2.985 -5.045 453 HA LEU 66 HA LEU 66 3.570 2.442 -6.408 454 HB2 LEU 66 HB2 LEU 66 2.661 2.836 -3.699 455 HB3 LEU 66 HB3 LEU 66 3.840 1.547 -3.776 456 HG LEU 66 HG LEU 66 4.241 4.361 -4.798 457 HD11 LEU 66 HD11 LEU 66 5.339 2.980 -2.356 458 HD12 LEU 66 HD12 LEU 66 4.151 4.284 -2.375 459 HD13 LEU 66 HD13 LEU 66 5.798 4.584 -2.926 460 HD21 LEU 66 HD21 LEU 66 6.169 2.049 -4.609 461 HD22 LEU 66 HD22 LEU 66 6.587 3.701 -5.060 462 HD23 LEU 66 HD23 LEU 66 5.522 2.749 -6.092 463 H ILE 67 H ILE 67 1.329 0.317 -4.595 464 HA ILE 67 HA ILE 67 3.179 -1.875 -4.928 465 HB ILE 67 HB ILE 67 0.551 -1.682 -3.494 466 HG12 ILE 67 HG12 ILE 67 3.423 -2.067 -2.642 467 HG13 ILE 67 HG13 ILE 67 2.375 -0.697 -2.292 468 HG21 ILE 67 HG21 ILE 67 0.657 -3.903 -4.490 469 HG22 ILE 67 HG22 ILE 67 0.871 -3.989 -2.742 470 HG23 ILE 67 HG23 ILE 67 2.267 -4.144 -3.808 471 HD11 ILE 67 HD11 ILE 67 2.164 -3.486 -1.188 472 HD12 ILE 67 HD12 ILE 67 0.949 -2.232 -0.942 473 HD13 ILE 67 HD13 ILE 67 2.583 -2.011 -0.315 474 H GLY 68 H GLY 68 -0.269 -1.452 -5.867 475 HA2 GLY 68 HA2 GLY 68 0.158 -3.887 -7.473 476 HA3 GLY 68 HA3 GLY 68 -1.356 -3.480 -6.695 477 H GLY 69 H GLY 69 -2.003 -1.044 -7.493 478 HA2 GLY 69 HA2 GLY 69 -2.949 0.042 -9.318 479 HA3 GLY 69 HA3 GLY 69 -1.912 -0.906 -10.379 480 H ASN 70 H ASN 70 -2.768 -3.386 -9.038 481 HA ASN 70 HA ASN 70 -5.500 -3.681 -10.049 482 HB2 ASN 70 HB2 ASN 70 -3.424 -5.754 -9.281 483 HB3 ASN 70 HB3 ASN 70 -5.051 -6.125 -9.845 484 HD21 ASN 70 HD21 ASN 70 -5.568 -5.818 -12.010 485 HD22 ASN 70 HD22 ASN 70 -4.356 -5.567 -13.219 486 HA PRO 71 HA PRO 71 -7.253 -3.578 -6.047 487 HB2 PRO 71 HB2 PRO 71 -9.014 -5.701 -6.152 488 HB3 PRO 71 HB3 PRO 71 -9.316 -4.102 -6.834 489 HG2 PRO 71 HG2 PRO 71 -8.358 -6.592 -8.183 490 HG3 PRO 71 HG3 PRO 71 -9.528 -5.385 -8.751 491 HD2 PRO 71 HD2 PRO 71 -7.017 -5.419 -9.668 492 HD3 PRO 71 HD3 PRO 71 -7.869 -3.888 -9.375 493 H VAL 72 H VAL 72 -5.695 -4.051 -4.607 494 HA VAL 72 HA VAL 72 -5.894 -6.618 -3.288 495 HB VAL 72 HB VAL 72 -4.009 -6.946 -4.852 496 HG11 VAL 72 HG11 VAL 72 -1.912 -5.701 -4.530 497 HG12 VAL 72 HG12 VAL 72 -2.742 -4.629 -3.404 498 HG13 VAL 72 HG13 VAL 72 -3.230 -4.677 -5.097 499 HG21 VAL 72 HG21 VAL 72 -2.348 -7.682 -3.197 500 HG22 VAL 72 HG22 VAL 72 -3.991 -8.128 -2.740 501 HG23 VAL 72 HG23 VAL 72 -3.198 -6.763 -1.956 502 H ALA 73 H ALA 73 -5.439 -6.436 -1.053 503 HA ALA 73 HA ALA 73 -5.900 -3.678 -0.231 504 HB1 ALA 73 HB1 ALA 73 -6.294 -6.261 1.281 505 HB2 ALA 73 HB2 ALA 73 -7.540 -5.318 0.461 506 HB3 ALA 73 HB3 ALA 73 -6.716 -4.650 1.868 507 H PHE 74 H PHE 74 -4.713 -2.592 1.263 508 HA PHE 74 HA PHE 74 -2.326 -3.951 2.309 509 HB2 PHE 74 HB2 PHE 74 -1.034 -1.905 2.103 510 HB3 PHE 74 HB3 PHE 74 -1.678 -2.362 0.535 511 HD1 PHE 74 HD1 PHE 74 -4.047 -1.204 0.012 512 HD2 PHE 74 HD2 PHE 74 -1.082 0.311 2.655 513 HE1 PHE 74 HE1 PHE 74 -4.949 1.062 -0.285 514 HE2 PHE 74 HE2 PHE 74 -1.965 2.594 2.353 515 HZ PHE 74 HZ PHE 74 -3.913 2.960 0.888 516 H ARG 75 H ARG 75 -2.141 -3.950 4.435 517 HA ARG 75 HA ARG 75 -4.052 -2.330 5.951 518 HB2 ARG 75 HB2 ARG 75 -4.035 -4.807 6.258 519 HB3 ARG 75 HB3 ARG 75 -2.397 -4.683 6.882 520 HG2 ARG 75 HG2 ARG 75 -4.011 -4.873 8.685 521 HG3 ARG 75 HG3 ARG 75 -3.195 -3.308 8.732 522 HD2 ARG 75 HD2 ARG 75 -5.596 -3.078 9.141 523 HD3 ARG 75 HD3 ARG 75 -5.115 -2.261 7.657 524 HE ARG 75 HE ARG 75 -6.140 -4.972 7.391 525 HH11 ARG 75 HH11 ARG 75 -6.772 -1.539 7.168 526 HH12 ARG 75 HH12 ARG 75 -8.203 -1.734 6.209 527 HH21 ARG 75 HH21 ARG 75 -8.015 -5.237 6.127 528 HH22 ARG 75 HH22 ARG 75 -8.912 -3.844 5.617 529 H LEU 76 H LEU 76 -3.308 -0.480 6.708 530 HA LEU 76 HA LEU 76 -0.479 -0.155 7.318 531 HB2 LEU 76 HB2 LEU 76 -2.735 1.850 7.493 532 HB3 LEU 76 HB3 LEU 76 -1.024 2.205 7.617 533 HG LEU 76 HG LEU 76 -2.409 1.173 5.138 534 HD11 LEU 76 HD11 LEU 76 -1.393 3.923 5.836 535 HD12 LEU 76 HD12 LEU 76 -3.080 3.445 5.659 536 HD13 LEU 76 HD13 LEU 76 -2.009 3.427 4.260 537 HD21 LEU 76 HD21 LEU 76 -0.288 1.692 4.016 538 HD22 LEU 76 HD22 LEU 76 -0.081 0.459 5.261 539 HD23 LEU 76 HD23 LEU 76 0.424 2.120 5.573 540 H GLN 77 H GLN 77 -0.015 -1.135 9.212 541 HA GLN 77 HA GLN 77 -1.898 -1.022 11.414 542 HB2 GLN 77 HB2 GLN 77 0.812 -2.333 11.189 543 HB3 GLN 77 HB3 GLN 77 -0.284 -2.506 12.552 544 HG2 GLN 77 HG2 GLN 77 -1.971 -3.441 10.942 545 HG3 GLN 77 HG3 GLN 77 -0.688 -3.467 9.734 546 HE21 GLN 77 HE21 GLN 77 -1.856 -4.821 12.704 547 HE22 GLN 77 HE22 GLN 77 -0.844 -6.222 12.704 548 HA PRO 78 HA PRO 78 -0.274 2.666 13.249 549 HB2 PRO 78 HB2 PRO 78 -1.200 1.353 15.753 550 HB3 PRO 78 HB3 PRO 78 -1.570 2.958 15.116 551 HG2 PRO 78 HG2 PRO 78 -3.368 1.009 14.987 552 HG3 PRO 78 HG3 PRO 78 -3.167 2.149 13.643 553 HD2 PRO 78 HD2 PRO 78 -2.231 -0.677 13.888 554 HD3 PRO 78 HD3 PRO 78 -2.873 0.183 12.476 555 H GLN 79 H GLN 79 0.766 -0.517 14.161 556 HA GLN 79 HA GLN 79 2.827 0.415 15.949 557 HB2 GLN 79 HB2 GLN 79 2.237 -2.277 14.733 558 HB3 GLN 79 HB3 GLN 79 3.648 -1.983 15.740 559 HG2 GLN 79 HG2 GLN 79 2.205 -1.322 17.586 560 HG3 GLN 79 HG3 GLN 79 0.786 -1.599 16.581 561 HE21 GLN 79 HE21 GLN 79 3.633 -3.630 16.527 562 HE22 GLN 79 HE22 GLN 79 2.881 -5.022 17.228 563 H GLY 80 H GLY 80 2.477 0.632 12.697 564 HA2 GLY 80 HA2 GLY 80 4.116 1.686 11.358 565 HA3 GLY 80 HA3 GLY 80 5.363 1.024 12.402 566 H GLN 81 H GLN 81 2.707 -0.784 10.914 567 HA GLN 81 HA GLN 81 4.717 -2.195 9.289 568 HB2 GLN 81 HB2 GLN 81 2.486 -3.424 10.913 569 HB3 GLN 81 HB3 GLN 81 3.437 -4.303 9.726 570 HG2 GLN 81 HG2 GLN 81 4.521 -2.978 12.202 571 HG3 GLN 81 HG3 GLN 81 4.202 -4.701 12.012 572 HE21 GLN 81 HE21 GLN 81 6.695 -3.325 12.606 573 HE22 GLN 81 HE22 GLN 81 7.803 -3.769 11.355 574 H ILE 82 H ILE 82 4.175 -2.620 7.234 575 HA ILE 82 HA ILE 82 1.393 -2.093 6.401 576 HB ILE 82 HB ILE 82 3.880 -1.927 4.682 577 HG12 ILE 82 HG12 ILE 82 2.150 0.296 5.788 578 HG13 ILE 82 HG13 ILE 82 3.781 -0.095 6.321 579 HG21 ILE 82 HG21 ILE 82 1.012 -1.208 4.078 580 HG22 ILE 82 HG22 ILE 82 1.896 -2.590 3.434 581 HG23 ILE 82 HG23 ILE 82 2.383 -0.950 2.999 582 HD11 ILE 82 HD11 ILE 82 4.642 0.479 4.112 583 HD12 ILE 82 HD12 ILE 82 3.774 1.830 4.843 584 HD13 ILE 82 HD13 ILE 82 3.008 0.870 3.577 585 H VAL 83 H VAL 83 0.458 -4.049 6.383 586 HA VAL 83 HA VAL 83 1.935 -6.289 5.171 587 HB VAL 83 HB VAL 83 -0.494 -6.377 6.977 588 HG11 VAL 83 HG11 VAL 83 1.216 -8.605 5.875 589 HG12 VAL 83 HG12 VAL 83 -0.454 -8.254 5.432 590 HG13 VAL 83 HG13 VAL 83 -0.071 -8.796 7.066 591 HG21 VAL 83 HG21 VAL 83 2.394 -7.036 7.546 592 HG22 VAL 83 HG22 VAL 83 1.047 -7.293 8.653 593 HG23 VAL 83 HG23 VAL 83 1.495 -5.656 8.177 594 H LEU 84 H LEU 84 1.280 -7.073 3.265 595 HA LEU 84 HA LEU 84 -1.030 -5.875 1.995 596 HB2 LEU 84 HB2 LEU 84 1.197 -6.322 0.847 597 HB3 LEU 84 HB3 LEU 84 0.765 -8.022 0.868 598 HG LEU 84 HG LEU 84 -1.332 -7.377 -0.412 599 HD11 LEU 84 HD11 LEU 84 -1.217 -5.267 -1.670 600 HD12 LEU 84 HD12 LEU 84 0.201 -4.804 -0.729 601 HD13 LEU 84 HD13 LEU 84 -1.357 -5.010 0.069 602 HD21 LEU 84 HD21 LEU 84 -0.176 -7.297 -2.552 603 HD22 LEU 84 HD22 LEU 84 0.582 -8.464 -1.469 604 HD23 LEU 84 HD23 LEU 84 1.333 -6.890 -1.734 605 H SER 85 H SER 85 -2.893 -6.921 1.428 606 HA SER 85 HA SER 85 -3.184 -9.729 2.208 607 HB2 SER 85 HB2 SER 85 -5.140 -7.534 2.945 608 HB3 SER 85 HB3 SER 85 -5.311 -9.249 3.319 609 HG SER 85 HG SER 85 -2.930 -8.422 4.184 610 H ARG 86 H ARG 86 -4.717 -10.876 0.969 611 HA ARG 86 HA ARG 86 -5.012 -9.699 -1.657 612 HB2 ARG 86 HB2 ARG 86 -5.559 -12.504 -0.679 613 HB3 ARG 86 HB3 ARG 86 -5.608 -11.987 -2.357 614 HG2 ARG 86 HG2 ARG 86 -3.184 -11.945 -0.570 615 HG3 ARG 86 HG3 ARG 86 -3.514 -13.116 -1.848 616 HD2 ARG 86 HD2 ARG 86 -3.405 -11.379 -3.521 617 HD3 ARG 86 HD3 ARG 86 -3.221 -10.146 -2.278 618 HE ARG 86 HE ARG 86 -1.139 -11.939 -1.928 619 HH11 ARG 86 HH11 ARG 86 -2.261 -9.754 -4.429 620 HH12 ARG 86 HH12 ARG 86 -0.667 -9.422 -5.027 621 HH21 ARG 86 HH21 ARG 86 0.957 -11.509 -2.737 622 HH22 ARG 86 HH22 ARG 86 1.153 -10.430 -4.081 623 H LEU 87 H LEU 87 -6.652 -8.210 -0.497 624 HA LEU 87 HA LEU 87 -9.326 -9.345 -0.994 625 HB2 LEU 87 HB2 LEU 87 -8.580 -7.029 0.794 626 HB3 LEU 87 HB3 LEU 87 -10.219 -7.496 0.403 627 HG LEU 87 HG LEU 87 -9.804 -8.308 2.571 628 HD11 LEU 87 HD11 LEU 87 -9.981 -10.719 2.344 629 HD12 LEU 87 HD12 LEU 87 -9.409 -10.616 0.680 630 HD13 LEU 87 HD13 LEU 87 -10.954 -9.894 1.127 631 HD21 LEU 87 HD21 LEU 87 -7.342 -8.096 2.469 632 HD22 LEU 87 HD22 LEU 87 -7.285 -9.620 1.578 633 HD23 LEU 87 HD23 LEU 87 -7.891 -9.590 3.235 634 HA PRO 88 HA PRO 88 -9.150 -6.424 -4.399 635 HB2 PRO 88 HB2 PRO 88 -11.888 -7.270 -4.966 636 HB3 PRO 88 HB3 PRO 88 -10.432 -7.491 -5.938 637 HG2 PRO 88 HG2 PRO 88 -11.692 -9.545 -4.699 638 HG3 PRO 88 HG3 PRO 88 -9.942 -9.519 -4.983 639 HD2 PRO 88 HD2 PRO 88 -11.465 -8.923 -2.475 640 HD3 PRO 88 HD3 PRO 88 -9.944 -9.816 -2.687 641 H THR 89 H THR 89 -9.295 -4.385 -3.580 642 HA THR 89 HA THR 89 -11.886 -3.529 -2.482 643 HB THR 89 HB THR 89 -9.222 -2.124 -2.196 644 HG1 THR 89 HG1 THR 89 -9.640 -4.356 -1.167 645 HG21 THR 89 HG21 THR 89 -10.349 -0.940 -0.361 646 HG22 THR 89 HG22 THR 89 -11.841 -1.812 -0.717 647 HG23 THR 89 HG23 THR 89 -11.179 -0.680 -1.896 648 H ALA 90 H ALA 90 -13.126 -2.348 -3.778 649 HA ALA 90 HA ALA 90 -11.884 -0.734 -5.898 650 HB1 ALA 90 HB1 ALA 90 -13.663 -2.280 -6.583 651 HB2 ALA 90 HB2 ALA 90 -14.110 -0.600 -6.873 652 HB3 ALA 90 HB3 ALA 90 -14.783 -1.464 -5.492 653 H ASN 91 H ASN 91 -11.352 1.269 -5.155 654 HA ASN 91 HA ASN 91 -12.983 2.586 -3.158 655 HB2 ASN 91 HB2 ASN 91 -11.342 4.275 -3.087 656 HB3 ASN 91 HB3 ASN 91 -10.434 2.799 -3.391 657 HD21 ASN 91 HD21 ASN 91 -9.490 2.472 -5.400 658 HD22 ASN 91 HD22 ASN 91 -9.277 3.774 -6.532 659 H GLY 92 H GLY 92 -13.087 2.298 -6.504 660 HA2 GLY 92 HA2 GLY 92 -13.801 4.943 -7.257 661 HA3 GLY 92 HA3 GLY 92 -14.049 3.493 -8.214 662 H ASP 93 H ASP 93 -15.545 2.669 -5.518 663 HA ASP 93 HA ASP 93 -18.137 3.543 -6.494 664 HB2 ASP 93 HB2 ASP 93 -17.275 1.542 -4.419 665 HB3 ASP 93 HB3 ASP 93 -18.957 2.033 -4.591 666 H GLY 94 H GLY 94 -15.870 4.769 -4.465 667 HA2 GLY 94 HA2 GLY 94 -15.918 6.626 -3.120 668 HA3 GLY 94 HA3 GLY 94 -17.594 6.842 -3.592 669 H GLY 95 H GLY 95 -16.531 3.893 -2.090 670 HA2 GLY 95 HA2 GLY 95 -16.594 3.431 0.264 671 HA3 GLY 95 HA3 GLY 95 -17.704 4.779 0.458 672 H ALA 96 H ALA 96 -17.487 1.706 -1.322 673 HA ALA 96 HA ALA 96 -20.354 1.396 -1.231 674 HB1 ALA 96 HB1 ALA 96 -20.034 -0.596 -2.517 675 HB2 ALA 96 HB2 ALA 96 -18.308 -0.607 -2.163 676 HB3 ALA 96 HB3 ALA 96 -18.990 0.659 -3.179 677 H LEU 97 H LEU 97 -21.233 0.885 0.651 678 HA LEU 97 HA LEU 97 -19.743 -0.644 2.598 679 HB2 LEU 97 HB2 LEU 97 -21.858 -0.255 3.994 680 HB3 LEU 97 HB3 LEU 97 -20.856 1.125 3.604 681 HG LEU 97 HG LEU 97 -22.464 1.678 1.756 682 HD11 LEU 97 HD11 LEU 97 -24.686 0.701 1.812 683 HD12 LEU 97 HD12 LEU 97 -24.182 -0.407 3.089 684 HD13 LEU 97 HD13 LEU 97 -23.470 -0.534 1.481 685 HD21 LEU 97 HD21 LEU 97 -23.575 1.578 4.551 686 HD22 LEU 97 HD22 LEU 97 -24.135 2.630 3.252 687 HD23 LEU 97 HD23 LEU 97 -22.507 2.820 3.901 688 H ALA 98 H ALA 98 -21.576 -2.060 3.962 689 HA ALA 98 HA ALA 98 -22.472 -4.136 4.086 690 HB1 ALA 98 HB1 ALA 98 -23.358 -3.624 1.248 691 HB2 ALA 98 HB2 ALA 98 -24.266 -3.217 2.704 692 HB3 ALA 98 HB3 ALA 98 -23.952 -4.905 2.304 693 H LEU 99 H LEU 99 -19.765 -3.722 3.303 694 HA LEU 99 HA LEU 99 -17.930 -4.923 2.752 695 HB2 LEU 99 HB2 LEU 99 -19.223 -6.723 3.938 696 HB3 LEU 99 HB3 LEU 99 -19.806 -7.257 2.376 697 HG LEU 99 HG LEU 99 -17.436 -7.690 1.707 698 HD11 LEU 99 HD11 LEU 99 -15.766 -7.856 3.518 699 HD12 LEU 99 HD12 LEU 99 -16.913 -7.086 4.614 700 HD13 LEU 99 HD13 LEU 99 -16.294 -6.201 3.220 701 HD21 LEU 99 HD21 LEU 99 -17.231 -9.750 2.978 702 HD22 LEU 99 HD22 LEU 99 -18.909 -9.473 2.513 703 HD23 LEU 99 HD23 LEU 99 -18.389 -9.152 4.166 704 H ASP 100 H ASP 100 -19.673 -3.606 0.691 705 HA ASP 100 HA ASP 100 -19.625 -5.346 -1.602 706 HB2 ASP 100 HB2 ASP 100 -21.390 -3.609 -1.199 707 HB3 ASP 100 HB3 ASP 100 -20.184 -2.378 -1.555 708 H SER 101 H SER 101 -17.855 -2.425 -0.632 709 HA SER 101 HA SER 101 -16.352 -2.165 -2.990 710 HB2 SER 101 HB2 SER 101 -14.767 -0.846 -1.444 711 HB3 SER 101 HB3 SER 101 -16.424 -0.266 -1.605 712 HG SER 101 HG SER 101 -16.893 -0.958 0.390 713 H LEU 102 H LEU 102 -15.952 -4.246 -0.244 714 HA LEU 102 HA LEU 102 -13.201 -4.884 -0.921 715 HB2 LEU 102 HB2 LEU 102 -14.179 -4.705 1.446 716 HB3 LEU 102 HB3 LEU 102 -14.905 -6.269 1.135 717 HG LEU 102 HG LEU 102 -12.610 -7.180 0.726 718 HD11 LEU 102 HD11 LEU 102 -11.790 -4.464 1.741 719 HD12 LEU 102 HD12 LEU 102 -11.448 -5.148 0.152 720 HD13 LEU 102 HD13 LEU 102 -10.716 -5.852 1.593 721 HD21 LEU 102 HD21 LEU 102 -13.731 -7.485 2.865 722 HD22 LEU 102 HD22 LEU 102 -13.108 -5.933 3.426 723 HD23 LEU 102 HD23 LEU 102 -11.997 -7.262 3.091 724 H THR 103 H THR 103 -15.961 -5.642 -2.337 725 HA THR 103 HA THR 103 -15.149 -8.416 -2.912 726 HB THR 103 HB THR 103 -17.945 -7.286 -3.166 727 HG1 THR 103 HG1 THR 103 -17.439 -7.373 -0.972 728 HG21 THR 103 HG21 THR 103 -16.922 -10.132 -3.207 729 HG22 THR 103 HG22 THR 103 -17.496 -9.224 -4.605 730 HG23 THR 103 HG23 THR 103 -18.614 -9.644 -3.307 731 H VAL 104 H VAL 104 -15.321 -5.314 -4.135 732 HA VAL 104 HA VAL 104 -15.795 -6.208 -6.892 733 HB VAL 104 HB VAL 104 -15.705 -3.385 -5.810 734 HG11 VAL 104 HG11 VAL 104 -15.079 -3.523 -8.166 735 HG12 VAL 104 HG12 VAL 104 -16.649 -2.744 -7.968 736 HG13 VAL 104 HG13 VAL 104 -16.559 -4.419 -8.512 737 HG21 VAL 104 HG21 VAL 104 -18.080 -5.074 -6.591 738 HG22 VAL 104 HG22 VAL 104 -18.129 -3.387 -6.080 739 HG23 VAL 104 HG23 VAL 104 -17.620 -4.638 -4.946 740 H LEU 105 H LEU 105 -14.233 -6.105 -8.416 741 HA LEU 105 HA LEU 105 -11.530 -5.599 -7.488 742 HB2 LEU 105 HB2 LEU 105 -12.617 -6.767 -10.048 743 HB3 LEU 105 HB3 LEU 105 -10.915 -6.457 -9.796 744 HG LEU 105 HG LEU 105 -11.043 -8.012 -7.799 745 HD11 LEU 105 HD11 LEU 105 -13.446 -8.004 -7.458 746 HD12 LEU 105 HD12 LEU 105 -12.874 -9.639 -7.787 747 HD13 LEU 105 HD13 LEU 105 -13.693 -8.720 -9.051 748 HD21 LEU 105 HD21 LEU 105 -10.893 -10.013 -9.181 749 HD22 LEU 105 HD22 LEU 105 -10.053 -8.656 -9.931 750 HD23 LEU 105 HD23 LEU 105 -11.639 -9.149 -10.525 751 H GLY 106 H GLY 106 -11.712 -3.309 -7.285 752 HA2 GLY 106 HA2 GLY 106 -12.221 -1.704 -9.632 753 HA3 GLY 106 HA3 GLY 106 -11.715 -1.121 -8.052 754 H ALA 107 H ALA 107 -10.712 -2.054 -11.199 755 HA ALA 107 HA ALA 107 -7.885 -1.929 -10.446 756 HB1 ALA 107 HB1 ALA 107 -9.131 -2.822 -13.039 757 HB2 ALA 107 HB2 ALA 107 -8.608 -3.883 -11.733 758 HB3 ALA 107 HB3 ALA 107 -7.423 -2.919 -12.613 759 H GLY 108 H GLY 108 -6.436 -0.861 -12.040 760 HA2 GLY 108 HA2 GLY 108 -6.638 0.926 -13.907 761 HA3 GLY 108 HA3 GLY 108 -7.512 1.801 -12.652 762 H GLY 109 H GLY 109 -6.184 3.364 -11.874 763 HA2 GLY 109 HA2 GLY 109 -3.483 2.473 -11.091 764 HA3 GLY 109 HA3 GLY 109 -3.962 4.156 -11.300 765 H ASN 110 H ASN 110 -3.938 1.425 -9.240 766 HA ASN 110 HA ASN 110 -4.093 2.502 -6.767 767 HB2 ASN 110 HB2 ASN 110 -6.450 2.426 -6.085 768 HB3 ASN 110 HB3 ASN 110 -6.252 3.571 -7.406 769 HD21 ASN 110 HD21 ASN 110 -7.714 0.627 -6.376 770 HD22 ASN 110 HD22 ASN 110 -8.624 0.315 -7.811 771 H ASN 111 H ASN 111 -3.812 0.813 -5.343 772 HA ASN 111 HA ASN 111 -4.438 -1.861 -6.299 773 HB2 ASN 111 HB2 ASN 111 -3.153 -2.718 -4.486 774 HB3 ASN 111 HB3 ASN 111 -2.250 -1.331 -5.081 775 HD21 ASN 111 HD21 ASN 111 -2.032 -2.566 -2.522 776 HD22 ASN 111 HD22 ASN 111 -2.461 -1.387 -1.340 777 H ALA 112 H ALA 112 -5.827 0.623 -4.567 778 HA ALA 112 HA ALA 112 -8.094 -1.046 -3.850 779 HB1 ALA 112 HB1 ALA 112 -6.770 -0.970 -1.794 780 HB2 ALA 112 HB2 ALA 112 -8.262 -0.047 -1.610 781 HB3 ALA 112 HB3 ALA 112 -6.733 0.792 -1.874 Start of MODEL 17 1 H1 SER 6 H1 SER 6 -8.951 9.365 3.516 2 H2 SER 6 H2 SER 6 -9.668 7.870 3.837 3 H3 SER 6 H3 SER 6 -10.631 9.243 3.635 4 HA SER 6 HA SER 6 -8.910 8.070 1.541 5 HB2 SER 6 HB2 SER 6 -11.913 7.881 1.882 6 HB3 SER 6 HB3 SER 6 -10.977 7.224 0.539 7 HG SER 6 HG SER 6 -9.844 5.926 2.117 8 H MET 7 H MET 7 -9.163 10.876 2.448 9 HA MET 7 HA MET 7 -10.065 11.977 -0.113 10 HB2 MET 7 HB2 MET 7 -10.783 12.974 2.632 11 HB3 MET 7 HB3 MET 7 -10.801 14.039 1.236 12 HG2 MET 7 HG2 MET 7 -12.448 12.611 0.153 13 HG3 MET 7 HG3 MET 7 -12.419 11.520 1.538 14 HE1 MET 7 HE1 MET 7 -15.909 13.479 1.598 15 HE2 MET 7 HE2 MET 7 -15.157 11.904 1.356 16 HE3 MET 7 HE3 MET 7 -14.966 13.167 0.141 17 H ALA 8 H ALA 8 -8.454 12.972 -1.077 18 HA ALA 8 HA ALA 8 -6.061 13.715 0.344 19 HB1 ALA 8 HB1 ALA 8 -5.196 14.342 -1.846 20 HB2 ALA 8 HB2 ALA 8 -6.800 14.141 -2.550 21 HB3 ALA 8 HB3 ALA 8 -5.941 12.744 -1.901 22 H GLN 9 H GLN 9 -8.996 15.203 -0.303 23 HA GLN 9 HA GLN 9 -8.006 17.913 -0.302 24 HB2 GLN 9 HB2 GLN 9 -10.795 16.822 0.097 25 HB3 GLN 9 HB3 GLN 9 -10.397 18.525 -0.067 26 HG2 GLN 9 HG2 GLN 9 -9.498 18.049 -2.320 27 HG3 GLN 9 HG3 GLN 9 -10.038 16.382 -2.145 28 HE21 GLN 9 HE21 GLN 9 -12.461 17.178 -0.690 29 HE22 GLN 9 HE22 GLN 9 -13.528 17.837 -1.881 30 H ALA 10 H ALA 10 -9.206 15.581 1.989 31 HA ALA 10 HA ALA 10 -9.263 17.495 4.163 32 HB1 ALA 10 HB1 ALA 10 -10.981 15.754 4.034 33 HB2 ALA 10 HB2 ALA 10 -10.040 15.628 5.520 34 HB3 ALA 10 HB3 ALA 10 -9.734 14.517 4.186 35 H ALA 11 H ALA 11 -7.493 14.525 3.337 36 HA ALA 11 HA ALA 11 -5.593 14.924 5.471 37 HB1 ALA 11 HB1 ALA 11 -4.501 12.926 4.567 38 HB2 ALA 11 HB2 ALA 11 -5.579 12.964 3.173 39 HB3 ALA 11 HB3 ALA 11 -6.231 12.664 4.784 40 H GLN 12 H GLN 12 -3.366 15.371 5.177 41 HA GLN 12 HA GLN 12 -2.855 17.308 3.124 42 HB2 GLN 12 HB2 GLN 12 -1.933 17.480 5.439 43 HB3 GLN 12 HB3 GLN 12 -0.917 16.087 5.098 44 HG2 GLN 12 HG2 GLN 12 0.147 17.350 3.267 45 HG3 GLN 12 HG3 GLN 12 -0.821 18.755 3.712 46 HE21 GLN 12 HE21 GLN 12 -0.363 19.841 5.637 47 HE22 GLN 12 HE22 GLN 12 1.141 19.632 6.462 48 H GLN 13 H GLN 13 -2.496 16.669 1.110 49 HA GLN 13 HA GLN 13 -1.620 14.083 0.401 50 HB2 GLN 13 HB2 GLN 13 -1.534 14.884 -1.884 51 HB3 GLN 13 HB3 GLN 13 -2.980 15.496 -1.104 52 HG2 GLN 13 HG2 GLN 13 -0.457 17.099 -1.437 53 HG3 GLN 13 HG3 GLN 13 -1.789 17.114 -2.588 54 HE21 GLN 13 HE21 GLN 13 -3.845 16.945 -0.529 55 HE22 GLN 13 HE22 GLN 13 -3.895 18.497 0.232 56 H LYS 14 H LYS 14 0.331 13.281 -0.125 57 HA LYS 14 HA LYS 14 2.625 14.962 0.638 58 HB2 LYS 14 HB2 LYS 14 2.356 11.946 0.664 59 HB3 LYS 14 HB3 LYS 14 3.753 12.857 1.214 60 HG2 LYS 14 HG2 LYS 14 1.014 13.066 2.439 61 HG3 LYS 14 HG3 LYS 14 2.294 12.011 3.036 62 HD2 LYS 14 HD2 LYS 14 3.726 13.986 3.384 63 HD3 LYS 14 HD3 LYS 14 2.405 15.021 2.838 64 HE2 LYS 14 HE2 LYS 14 1.035 14.346 4.686 65 HE3 LYS 14 HE3 LYS 14 2.216 13.133 5.180 66 HZ1 LYS 14 HZ1 LYS 14 2.381 15.085 6.562 67 HZ2 LYS 14 HZ2 LYS 14 2.608 16.080 5.215 68 HZ3 LYS 14 HZ3 LYS 14 3.785 14.936 5.631 69 H ASN 15 H ASN 15 4.415 15.043 -0.677 70 HA ASN 15 HA ASN 15 4.001 14.346 -3.434 71 HB2 ASN 15 HB2 ASN 15 6.235 15.732 -1.960 72 HB3 ASN 15 HB3 ASN 15 6.327 15.354 -3.673 73 HD21 ASN 15 HD21 ASN 15 4.897 16.374 -5.108 74 HD22 ASN 15 HD22 ASN 15 4.122 17.863 -4.690 75 H PHE 16 H PHE 16 4.196 12.258 -3.912 76 HA PHE 16 HA PHE 16 6.382 10.725 -2.706 77 HB2 PHE 16 HB2 PHE 16 3.953 9.844 -4.278 78 HB3 PHE 16 HB3 PHE 16 5.203 8.755 -3.689 79 HD1 PHE 16 HD1 PHE 16 5.613 8.702 -1.162 80 HD2 PHE 16 HD2 PHE 16 2.132 10.369 -2.948 81 HE1 PHE 16 HE1 PHE 16 4.406 8.453 0.967 82 HE2 PHE 16 HE2 PHE 16 0.919 10.127 -0.823 83 HZ PHE 16 HZ PHE 16 2.056 9.167 1.139 84 H ASN 17 H ASN 17 8.205 10.880 -3.818 85 HA ASN 17 HA ASN 17 8.088 10.519 -6.741 86 HB2 ASN 17 HB2 ASN 17 10.199 11.950 -5.100 87 HB3 ASN 17 HB3 ASN 17 10.278 11.685 -6.837 88 HD21 ASN 17 HD21 ASN 17 10.275 14.156 -5.276 89 HD22 ASN 17 HD22 ASN 17 8.958 15.095 -5.885 90 H ILE 18 H ILE 18 8.181 8.262 -6.640 91 HA ILE 18 HA ILE 18 10.675 7.168 -5.504 92 HB ILE 18 HB ILE 18 8.043 5.689 -5.484 93 HG12 ILE 18 HG12 ILE 18 9.350 7.256 -3.250 94 HG13 ILE 18 HG13 ILE 18 7.811 7.615 -4.013 95 HG21 ILE 18 HG21 ILE 18 9.201 4.202 -3.914 96 HG22 ILE 18 HG22 ILE 18 10.664 5.173 -4.083 97 HG23 ILE 18 HG23 ILE 18 10.032 4.284 -5.469 98 HD11 ILE 18 HD11 ILE 18 6.899 5.525 -3.122 99 HD12 ILE 18 HD12 ILE 18 7.482 6.599 -1.850 100 HD13 ILE 18 HD13 ILE 18 8.443 5.203 -2.332 101 H ALA 19 H ALA 19 11.877 6.340 -7.076 102 HA ALA 19 HA ALA 19 10.774 5.460 -9.585 103 HB1 ALA 19 HB1 ALA 19 13.564 5.190 -8.459 104 HB2 ALA 19 HB2 ALA 19 12.985 6.501 -9.486 105 HB3 ALA 19 HB3 ALA 19 13.091 4.862 -10.128 106 H ALA 20 H ALA 20 11.204 3.190 -10.387 107 HA ALA 20 HA ALA 20 9.964 1.431 -8.520 108 HB1 ALA 20 HB1 ALA 20 10.018 -0.207 -10.293 109 HB2 ALA 20 HB2 ALA 20 11.182 0.763 -11.194 110 HB3 ALA 20 HB3 ALA 20 9.541 1.361 -10.945 111 H GLN 21 H GLN 21 11.146 0.893 -6.816 112 HA GLN 21 HA GLN 21 13.753 -0.395 -7.215 113 HB2 GLN 21 HB2 GLN 21 12.426 0.696 -4.724 114 HB3 GLN 21 HB3 GLN 21 13.988 -0.112 -4.748 115 HG2 GLN 21 HG2 GLN 21 14.892 1.633 -6.173 116 HG3 GLN 21 HG3 GLN 21 13.321 2.432 -6.212 117 HE21 GLN 21 HE21 GLN 21 14.136 4.310 -5.329 118 HE22 GLN 21 HE22 GLN 21 14.585 4.431 -3.665 119 HA PRO 22 HA PRO 22 12.204 -4.453 -5.797 120 HB2 PRO 22 HB2 PRO 22 14.047 -4.137 -3.472 121 HB3 PRO 22 HB3 PRO 22 13.859 -5.504 -4.576 122 HG2 PRO 22 HG2 PRO 22 15.957 -3.872 -4.775 123 HG3 PRO 22 HG3 PRO 22 15.168 -4.531 -6.218 124 HD2 PRO 22 HD2 PRO 22 15.017 -1.786 -5.066 125 HD3 PRO 22 HD3 PRO 22 14.983 -2.302 -6.764 126 H LEU 23 H LEU 23 10.473 -4.938 -4.490 127 HA LEU 23 HA LEU 23 9.035 -2.793 -3.532 128 HB2 LEU 23 HB2 LEU 23 8.015 -4.895 -4.217 129 HB3 LEU 23 HB3 LEU 23 8.680 -5.695 -2.804 130 HG LEU 23 HG LEU 23 7.307 -4.248 -1.349 131 HD11 LEU 23 HD11 LEU 23 5.546 -2.864 -2.314 132 HD12 LEU 23 HD12 LEU 23 6.132 -3.235 -3.936 133 HD13 LEU 23 HD13 LEU 23 7.141 -2.307 -2.823 134 HD21 LEU 23 HD21 LEU 23 5.145 -5.264 -1.884 135 HD22 LEU 23 HD22 LEU 23 6.465 -6.428 -2.018 136 HD23 LEU 23 HD23 LEU 23 5.759 -5.725 -3.473 137 H GLN 24 H GLN 24 10.903 -5.122 -1.596 138 HA GLN 24 HA GLN 24 10.024 -4.147 0.907 139 HB2 GLN 24 HB2 GLN 24 12.602 -5.588 0.260 140 HB3 GLN 24 HB3 GLN 24 11.892 -5.412 1.858 141 HG2 GLN 24 HG2 GLN 24 10.811 -6.988 -0.463 142 HG3 GLN 24 HG3 GLN 24 11.420 -7.608 1.069 143 HE21 GLN 24 HE21 GLN 24 10.150 -7.399 2.924 144 HE22 GLN 24 HE22 GLN 24 8.459 -7.058 2.838 145 H SER 25 H SER 25 12.622 -3.193 -1.232 146 HA SER 25 HA SER 25 13.779 -1.391 0.723 147 HB2 SER 25 HB2 SER 25 14.464 -1.759 -2.201 148 HB3 SER 25 HB3 SER 25 15.437 -0.920 -0.991 149 HG SER 25 HG SER 25 15.032 -3.242 0.055 150 H ALA 26 H ALA 26 11.582 -1.306 -1.963 151 HA ALA 26 HA ALA 26 11.547 1.454 -2.491 152 HB1 ALA 26 HB1 ALA 26 10.452 -0.193 -3.928 153 HB2 ALA 26 HB2 ALA 26 9.316 1.055 -3.416 154 HB3 ALA 26 HB3 ALA 26 9.281 -0.536 -2.654 155 H MET 27 H MET 27 9.672 -0.528 -0.249 156 HA MET 27 HA MET 27 8.292 1.693 0.911 157 HB2 MET 27 HB2 MET 27 8.685 -1.109 1.966 158 HB3 MET 27 HB3 MET 27 7.523 0.065 2.574 159 HG2 MET 27 HG2 MET 27 7.557 -1.110 -0.193 160 HG3 MET 27 HG3 MET 27 6.473 -1.570 1.116 161 HE1 MET 27 HE1 MET 27 4.158 0.294 -1.428 162 HE2 MET 27 HE2 MET 27 4.353 -1.163 -0.456 163 HE3 MET 27 HE3 MET 27 5.505 -0.804 -1.742 164 H LEU 28 H LEU 28 11.364 0.250 1.362 165 HA LEU 28 HA LEU 28 11.885 1.183 3.979 166 HB2 LEU 28 HB2 LEU 28 13.229 -0.470 2.517 167 HB3 LEU 28 HB3 LEU 28 13.949 0.951 1.794 168 HG LEU 28 HG LEU 28 14.075 0.452 4.764 169 HD11 LEU 28 HD11 LEU 28 16.295 -0.522 4.379 170 HD12 LEU 28 HD12 LEU 28 16.005 -0.474 2.640 171 HD13 LEU 28 HD13 LEU 28 15.010 -1.500 3.673 172 HD21 LEU 28 HD21 LEU 28 14.617 2.714 3.977 173 HD22 LEU 28 HD22 LEU 28 15.830 2.039 2.891 174 HD23 LEU 28 HD23 LEU 28 16.032 1.892 4.637 175 H ARG 29 H ARG 29 11.717 2.695 0.862 176 HA ARG 29 HA ARG 29 13.173 5.050 1.565 177 HB2 ARG 29 HB2 ARG 29 11.149 4.682 -0.650 178 HB3 ARG 29 HB3 ARG 29 12.318 5.985 -0.517 179 HG2 ARG 29 HG2 ARG 29 12.843 3.082 -1.079 180 HG3 ARG 29 HG3 ARG 29 13.159 4.469 -2.121 181 HD2 ARG 29 HD2 ARG 29 14.563 3.760 0.450 182 HD3 ARG 29 HD3 ARG 29 15.236 3.711 -1.177 183 HE ARG 29 HE ARG 29 15.049 6.154 -1.211 184 HH11 ARG 29 HH11 ARG 29 14.964 4.527 1.891 185 HH12 ARG 29 HH12 ARG 29 15.411 5.937 2.798 186 HH21 ARG 29 HH21 ARG 29 15.701 8.004 -0.028 187 HH22 ARG 29 HH22 ARG 29 15.870 7.905 1.695 188 H PHE 30 H PHE 30 9.690 4.425 1.120 189 HA PHE 30 HA PHE 30 9.002 6.998 2.213 190 HB2 PHE 30 HB2 PHE 30 7.548 6.262 0.513 191 HB3 PHE 30 HB3 PHE 30 7.413 4.650 1.203 192 HD1 PHE 30 HD2 PHE 30 6.895 8.054 2.658 193 HD2 PHE 30 HD1 PHE 30 5.227 4.248 1.758 194 HE1 PHE 30 HE2 PHE 30 4.810 8.712 3.782 195 HE2 PHE 30 HE1 PHE 30 3.140 4.896 2.886 196 HZ PHE 30 HZ PHE 30 2.928 7.130 3.896 197 H ALA 31 H ALA 31 8.493 3.629 3.246 198 HA ALA 31 HA ALA 31 7.035 4.432 5.535 199 HB1 ALA 31 HB1 ALA 31 8.219 1.722 4.980 200 HB2 ALA 31 HB2 ALA 31 6.671 2.295 4.360 201 HB3 ALA 31 HB3 ALA 31 6.907 2.105 6.097 202 H GLU 32 H GLU 32 10.459 4.131 4.985 203 HA GLU 32 HA GLU 32 11.268 3.592 7.629 204 HB2 GLU 32 HB2 GLU 32 13.406 4.420 7.100 205 HB3 GLU 32 HB3 GLU 32 12.791 3.775 5.587 206 HG2 GLU 32 HG2 GLU 32 12.382 5.932 4.719 207 HG3 GLU 32 HG3 GLU 32 12.597 6.687 6.298 208 H GLN 33 H GLN 33 10.103 6.517 6.119 209 HA GLN 33 HA GLN 33 10.804 8.228 8.322 210 HB2 GLN 33 HB2 GLN 33 8.936 8.673 5.980 211 HB3 GLN 33 HB3 GLN 33 9.440 9.913 7.120 212 HG2 GLN 33 HG2 GLN 33 11.303 8.373 5.326 213 HG3 GLN 33 HG3 GLN 33 10.669 9.981 4.981 214 HE21 GLN 33 HE21 GLN 33 13.429 9.068 5.349 215 HE22 GLN 33 HE22 GLN 33 14.079 10.018 6.643 216 H ALA 34 H ALA 34 8.125 6.262 7.364 217 HA ALA 34 HA ALA 34 6.340 7.406 9.352 218 HB1 ALA 34 HB1 ALA 34 4.684 5.868 8.487 219 HB2 ALA 34 HB2 ALA 34 5.916 5.032 7.542 220 HB3 ALA 34 HB3 ALA 34 5.485 6.697 7.150 221 H GLY 35 H GLY 35 8.812 5.175 9.371 222 HA2 GLY 35 HA2 GLY 35 9.579 3.840 11.099 223 HA3 GLY 35 HA3 GLY 35 8.133 4.250 12.009 224 H MET 36 H MET 36 8.094 2.903 8.780 225 HA MET 36 HA MET 36 7.042 0.378 9.858 226 HB2 MET 36 HB2 MET 36 5.746 2.027 7.677 227 HB3 MET 36 HB3 MET 36 5.208 0.449 8.228 228 HG2 MET 36 HG2 MET 36 4.630 1.350 10.383 229 HG3 MET 36 HG3 MET 36 5.291 2.921 9.939 230 HE1 MET 36 HE1 MET 36 1.698 1.063 7.768 231 HE2 MET 36 HE2 MET 36 2.643 0.208 8.989 232 HE3 MET 36 HE3 MET 36 3.384 0.653 7.449 233 H GLN 37 H GLN 37 6.759 -1.257 8.034 234 HA GLN 37 HA GLN 37 8.034 -0.748 5.517 235 HB2 GLN 37 HB2 GLN 37 9.975 -1.299 7.027 236 HB3 GLN 37 HB3 GLN 37 9.252 -2.879 7.292 237 HG2 GLN 37 HG2 GLN 37 9.556 -3.498 5.024 238 HG3 GLN 37 HG3 GLN 37 9.989 -1.851 4.566 239 HE21 GLN 37 HE21 GLN 37 11.949 -2.543 3.683 240 HE22 GLN 37 HE22 GLN 37 13.282 -3.019 4.683 241 H VAL 38 H VAL 38 7.717 -2.661 4.050 242 HA VAL 38 HA VAL 38 5.145 -3.830 4.566 243 HB VAL 38 HB VAL 38 5.716 -5.105 2.361 244 HG11 VAL 38 HG11 VAL 38 5.255 -2.135 2.514 245 HG12 VAL 38 HG12 VAL 38 4.039 -3.411 2.429 246 HG13 VAL 38 HG13 VAL 38 5.077 -3.088 1.040 247 HG21 VAL 38 HG21 VAL 38 7.783 -2.913 2.312 248 HG22 VAL 38 HG22 VAL 38 7.321 -3.910 0.935 249 HG23 VAL 38 HG23 VAL 38 8.096 -4.647 2.336 250 H PHE 39 H PHE 39 4.650 -5.870 5.118 251 HA PHE 39 HA PHE 39 6.934 -7.586 5.813 252 HB2 PHE 39 HB2 PHE 39 5.779 -6.668 7.792 253 HB3 PHE 39 HB3 PHE 39 4.274 -7.387 7.229 254 HD1 PHE 39 HD2 PHE 39 7.667 -8.144 8.466 255 HD2 PHE 39 HD1 PHE 39 3.780 -9.665 7.626 256 HE1 PHE 39 HE2 PHE 39 8.229 -10.227 9.647 257 HE2 PHE 39 HE1 PHE 39 4.339 -11.748 8.803 258 HZ PHE 39 HZ PHE 39 6.566 -12.031 9.817 259 H PHE 40 H PHE 40 7.054 -9.316 4.656 260 HA PHE 40 HA PHE 40 4.600 -10.776 3.969 261 HB2 PHE 40 HB2 PHE 40 7.042 -10.324 2.237 262 HB3 PHE 40 HB3 PHE 40 5.839 -11.563 1.901 263 HD1 PHE 40 HD1 PHE 40 6.398 -7.918 2.137 264 HD2 PHE 40 HD2 PHE 40 3.789 -11.033 0.866 265 HE1 PHE 40 HE1 PHE 40 5.063 -6.282 0.872 266 HE2 PHE 40 HE2 PHE 40 2.447 -9.401 -0.393 267 HZ PHE 40 HZ PHE 40 3.084 -7.024 -0.393 268 H ASP 41 H ASP 41 5.217 -13.152 3.473 269 HA ASP 41 HA ASP 41 6.776 -14.112 5.686 270 HB2 ASP 41 HB2 ASP 41 4.718 -15.268 4.826 271 HB3 ASP 41 HB3 ASP 41 5.632 -15.710 3.385 272 H GLU 42 H GLU 42 8.748 -15.184 5.599 273 HA GLU 42 HA GLU 42 10.594 -14.177 3.743 274 HB2 GLU 42 HB2 GLU 42 10.828 -16.445 5.718 275 HB3 GLU 42 HB3 GLU 42 12.178 -15.821 4.781 276 HG2 GLU 42 HG2 GLU 42 11.894 -13.633 5.813 277 HG3 GLU 42 HG3 GLU 42 10.525 -14.245 6.738 278 H VAL 43 H VAL 43 10.109 -14.653 1.688 279 HA VAL 43 HA VAL 43 10.543 -17.440 0.871 280 HB VAL 43 HB VAL 43 8.155 -16.903 0.613 281 HG11 VAL 43 HG11 VAL 43 8.299 -14.494 0.361 282 HG12 VAL 43 HG12 VAL 43 7.411 -15.204 -0.988 283 HG13 VAL 43 HG13 VAL 43 9.084 -14.687 -1.207 284 HG21 VAL 43 HG21 VAL 43 9.112 -18.446 -0.971 285 HG22 VAL 43 HG22 VAL 43 9.643 -17.114 -1.999 286 HG23 VAL 43 HG23 VAL 43 7.921 -17.433 -1.788 287 H LYS 44 H LYS 44 11.915 -17.705 -0.869 288 HA LYS 44 HA LYS 44 13.368 -15.336 -1.714 289 HB2 LYS 44 HB2 LYS 44 14.541 -17.469 -1.113 290 HB3 LYS 44 HB3 LYS 44 13.810 -18.214 -2.526 291 HG2 LYS 44 HG2 LYS 44 14.966 -16.655 -3.980 292 HG3 LYS 44 HG3 LYS 44 15.655 -15.835 -2.579 293 HD2 LYS 44 HD2 LYS 44 16.136 -18.713 -3.343 294 HD3 LYS 44 HD3 LYS 44 17.255 -17.379 -3.623 295 HE2 LYS 44 HE2 LYS 44 16.297 -18.370 -0.936 296 HE3 LYS 44 HE3 LYS 44 17.883 -18.659 -1.644 297 HZ1 LYS 44 HZ1 LYS 44 18.030 -16.873 -0.086 298 HZ2 LYS 44 HZ2 LYS 44 16.765 -16.035 -0.822 299 HZ3 LYS 44 HZ3 LYS 44 18.234 -16.232 -1.637 300 H LEU 45 H LEU 45 11.847 -14.279 -2.936 301 HA LEU 45 HA LEU 45 11.126 -15.582 -5.471 302 HB2 LEU 45 HB2 LEU 45 9.149 -15.354 -4.072 303 HB3 LEU 45 HB3 LEU 45 9.495 -13.657 -3.808 304 HG LEU 45 HG LEU 45 9.105 -13.227 -6.218 305 HD11 LEU 45 HD11 LEU 45 9.655 -15.389 -7.132 306 HD12 LEU 45 HD12 LEU 45 7.992 -14.978 -7.551 307 HD13 LEU 45 HD13 LEU 45 8.317 -16.134 -6.260 308 HD21 LEU 45 HD21 LEU 45 7.312 -12.920 -4.590 309 HD22 LEU 45 HD22 LEU 45 6.834 -14.607 -4.792 310 HD23 LEU 45 HD23 LEU 45 6.680 -13.477 -6.138 311 H ASP 46 H ASP 46 12.195 -14.663 -7.072 312 HA ASP 46 HA ASP 46 13.159 -11.941 -6.841 313 HB2 ASP 46 HB2 ASP 46 14.546 -13.752 -7.879 314 HB3 ASP 46 HB3 ASP 46 13.377 -13.834 -9.193 315 H GLY 47 H GLY 47 12.479 -10.222 -8.119 316 HA2 GLY 47 HA2 GLY 47 11.167 -9.446 -10.032 317 HA3 GLY 47 HA3 GLY 47 10.007 -10.713 -9.658 318 H MET 48 H MET 48 11.161 -9.387 -6.817 319 HA MET 48 HA MET 48 8.714 -8.031 -6.250 320 HB2 MET 48 HB2 MET 48 11.369 -7.936 -4.800 321 HB3 MET 48 HB3 MET 48 9.855 -7.299 -4.179 322 HG2 MET 48 HG2 MET 48 8.914 -9.550 -4.154 323 HG3 MET 48 HG3 MET 48 10.434 -10.190 -4.782 324 HE1 MET 48 HE1 MET 48 9.049 -11.303 -2.146 325 HE2 MET 48 HE2 MET 48 10.434 -11.445 -1.063 326 HE3 MET 48 HE3 MET 48 10.585 -11.919 -2.756 327 H GLN 49 H GLN 49 8.189 -6.060 -6.956 328 HA GLN 49 HA GLN 49 10.210 -4.009 -7.226 329 HB2 GLN 49 HB2 GLN 49 9.701 -3.596 -9.612 330 HB3 GLN 49 HB3 GLN 49 10.455 -5.160 -9.346 331 HG2 GLN 49 HG2 GLN 49 8.174 -6.178 -9.414 332 HG3 GLN 49 HG3 GLN 49 7.554 -4.602 -9.901 333 HE21 GLN 49 HE21 GLN 49 7.518 -7.135 -11.321 334 HE22 GLN 49 HE22 GLN 49 8.330 -6.853 -12.822 335 H ALA 50 H ALA 50 9.414 -2.020 -7.033 336 HA ALA 50 HA ALA 50 6.546 -1.705 -6.616 337 HB1 ALA 50 HB1 ALA 50 7.160 0.542 -5.814 338 HB2 ALA 50 HB2 ALA 50 8.844 0.218 -6.227 339 HB3 ALA 50 HB3 ALA 50 8.048 -0.725 -4.967 340 H ALA 51 H ALA 51 5.535 0.273 -7.583 341 HA ALA 51 HA ALA 51 6.234 0.398 -10.419 342 HB1 ALA 51 HB1 ALA 51 4.038 1.430 -10.701 343 HB2 ALA 51 HB2 ALA 51 3.810 1.439 -8.953 344 HB3 ALA 51 HB3 ALA 51 3.910 -0.093 -9.820 345 H ALA 52 H ALA 52 6.405 2.421 -11.508 346 HA ALA 52 HA ALA 52 7.965 4.346 -10.162 347 HB1 ALA 52 HB1 ALA 52 8.157 3.934 -12.564 348 HB2 ALA 52 HB2 ALA 52 7.829 5.634 -12.232 349 HB3 ALA 52 HB3 ALA 52 6.536 4.583 -12.807 350 H LEU 53 H LEU 53 7.017 5.306 -8.469 351 HA LEU 53 HA LEU 53 4.340 6.442 -8.747 352 HB2 LEU 53 HB2 LEU 53 4.734 5.024 -6.821 353 HB3 LEU 53 HB3 LEU 53 6.118 5.991 -6.353 354 HG LEU 53 HG LEU 53 4.558 7.918 -5.984 355 HD11 LEU 53 HD11 LEU 53 2.172 7.411 -5.721 356 HD12 LEU 53 HD12 LEU 53 2.455 5.792 -6.362 357 HD13 LEU 53 HD13 LEU 53 2.716 7.203 -7.386 358 HD21 LEU 53 HD21 LEU 53 4.052 5.422 -4.373 359 HD22 LEU 53 HD22 LEU 53 3.728 7.074 -3.850 360 HD23 LEU 53 HD23 LEU 53 5.389 6.553 -4.146 361 H ASN 54 H ASN 54 4.158 8.508 -9.286 362 HA ASN 54 HA ASN 54 5.929 10.457 -8.049 363 HB2 ASN 54 HB2 ASN 54 6.987 9.908 -10.231 364 HB3 ASN 54 HB3 ASN 54 5.499 10.377 -11.047 365 HD21 ASN 54 HD21 ASN 54 8.299 11.484 -9.335 366 HD22 ASN 54 HD22 ASN 54 8.119 13.162 -9.711 367 H GLY 55 H GLY 55 4.284 11.353 -6.901 368 HA2 GLY 55 HA2 GLY 55 2.646 13.261 -8.134 369 HA3 GLY 55 HA3 GLY 55 1.679 11.819 -7.870 370 H SER 56 H SER 56 1.191 14.343 -6.663 371 HA SER 56 HA SER 56 1.877 13.827 -3.863 372 HB2 SER 56 HB2 SER 56 0.782 16.082 -3.484 373 HB3 SER 56 HB3 SER 56 2.240 16.113 -4.474 374 HG SER 56 HG SER 56 -0.139 15.777 -5.852 375 H MET 57 H MET 57 0.560 12.467 -2.871 376 HA MET 57 HA MET 57 -2.319 12.803 -3.096 377 HB2 MET 57 HB2 MET 57 -2.696 10.432 -3.654 378 HB3 MET 57 HB3 MET 57 -1.828 11.271 -4.929 379 HG2 MET 57 HG2 MET 57 0.294 10.343 -3.913 380 HG3 MET 57 HG3 MET 57 -0.743 9.312 -2.930 381 HE1 MET 57 HE1 MET 57 -1.052 10.505 -6.697 382 HE2 MET 57 HE2 MET 57 -0.336 9.117 -7.516 383 HE3 MET 57 HE3 MET 57 0.652 10.121 -6.456 384 H SER 58 H SER 58 -3.269 10.733 -1.710 385 HA SER 58 HA SER 58 -2.055 11.123 0.900 386 HB2 SER 58 HB2 SER 58 -4.563 9.577 0.214 387 HB3 SER 58 HB3 SER 58 -4.081 10.188 1.797 388 HG SER 58 HG SER 58 -4.383 12.279 1.057 389 H VAL 59 H VAL 59 -2.302 8.965 2.336 390 HA VAL 59 HA VAL 59 -0.203 7.315 1.457 391 HB VAL 59 HB VAL 59 -2.215 6.691 3.624 392 HG11 VAL 59 HG11 VAL 59 0.595 5.708 3.151 393 HG12 VAL 59 HG12 VAL 59 -0.890 4.762 3.034 394 HG13 VAL 59 HG13 VAL 59 -0.361 5.385 4.596 395 HG21 VAL 59 HG21 VAL 59 0.381 8.220 3.783 396 HG22 VAL 59 HG22 VAL 59 -0.602 7.731 5.162 397 HG23 VAL 59 HG23 VAL 59 -1.238 8.886 3.991 398 H GLU 60 H GLU 60 -3.702 6.809 1.537 399 HA GLU 60 HA GLU 60 -3.802 4.132 0.793 400 HB2 GLU 60 HB2 GLU 60 -5.715 6.396 0.270 401 HB3 GLU 60 HB3 GLU 60 -6.083 4.714 -0.083 402 HG2 GLU 60 HG2 GLU 60 -6.083 4.111 2.167 403 HG3 GLU 60 HG3 GLU 60 -5.227 5.574 2.651 404 H GLN 61 H GLN 61 -4.289 6.908 -1.384 405 HA GLN 61 HA GLN 61 -4.173 5.361 -3.731 406 HB2 GLN 61 HB2 GLN 61 -3.696 8.313 -3.302 407 HB3 GLN 61 HB3 GLN 61 -3.813 7.555 -4.885 408 HG2 GLN 61 HG2 GLN 61 -5.990 7.493 -2.807 409 HG3 GLN 61 HG3 GLN 61 -5.903 8.656 -4.127 410 HE21 GLN 61 HE21 GLN 61 -7.880 7.939 -4.950 411 HE22 GLN 61 HE22 GLN 61 -8.031 6.438 -5.796 412 H GLY 62 H GLY 62 -1.727 6.945 -1.802 413 HA2 GLY 62 HA2 GLY 62 0.447 6.784 -3.551 414 HA3 GLY 62 HA3 GLY 62 0.551 6.764 -1.796 415 H LEU 63 H LEU 63 -0.411 4.506 -0.934 416 HA LEU 63 HA LEU 63 1.483 2.565 -1.582 417 HB2 LEU 63 HB2 LEU 63 -1.044 2.611 -0.025 418 HB3 LEU 63 HB3 LEU 63 -0.414 1.045 -0.480 419 HG LEU 63 HG LEU 63 0.256 1.756 1.803 420 HD11 LEU 63 HD11 LEU 63 2.652 1.242 1.549 421 HD12 LEU 63 HD12 LEU 63 2.492 1.440 -0.196 422 HD13 LEU 63 HD13 LEU 63 1.619 0.150 0.631 423 HD21 LEU 63 HD21 LEU 63 0.447 4.157 1.390 424 HD22 LEU 63 HD22 LEU 63 1.847 3.870 0.356 425 HD23 LEU 63 HD23 LEU 63 1.931 3.498 2.078 426 H ARG 64 H ARG 64 -1.891 2.893 -2.620 427 HA ARG 64 HA ARG 64 -2.166 0.563 -4.083 428 HB2 ARG 64 HB2 ARG 64 -3.295 3.318 -4.504 429 HB3 ARG 64 HB3 ARG 64 -3.691 1.994 -5.590 430 HG2 ARG 64 HG2 ARG 64 -4.632 0.729 -3.749 431 HG3 ARG 64 HG3 ARG 64 -4.175 2.004 -2.617 432 HD2 ARG 64 HD2 ARG 64 -6.560 2.085 -3.275 433 HD3 ARG 64 HD3 ARG 64 -5.676 3.554 -3.680 434 HE ARG 64 HE ARG 64 -5.544 2.057 -5.952 435 HH11 ARG 64 HH11 ARG 64 -8.180 3.148 -3.922 436 HH12 ARG 64 HH12 ARG 64 -9.296 3.302 -5.239 437 HH21 ARG 64 HH21 ARG 64 -7.018 2.274 -7.691 438 HH22 ARG 64 HH22 ARG 64 -8.640 2.805 -7.376 439 H ARG 65 H ARG 65 -0.977 3.707 -5.274 440 HA ARG 65 HA ARG 65 -0.358 2.587 -7.852 441 HB2 ARG 65 HB2 ARG 65 0.213 5.320 -6.703 442 HB3 ARG 65 HB3 ARG 65 0.459 4.858 -8.383 443 HG2 ARG 65 HG2 ARG 65 -1.927 4.429 -8.625 444 HG3 ARG 65 HG3 ARG 65 -2.182 4.870 -6.938 445 HD2 ARG 65 HD2 ARG 65 -1.300 7.125 -7.435 446 HD3 ARG 65 HD3 ARG 65 -1.168 6.669 -9.135 447 HE ARG 65 HE ARG 65 -3.795 6.224 -8.136 448 HH11 ARG 65 HH11 ARG 65 -1.657 8.743 -9.297 449 HH12 ARG 65 HH12 ARG 65 -2.951 9.786 -9.790 450 HH21 ARG 65 HH21 ARG 65 -5.488 7.583 -8.777 451 HH22 ARG 65 HH22 ARG 65 -5.138 9.121 -9.501 452 H LEU 66 H LEU 66 1.290 2.961 -4.899 453 HA LEU 66 HA LEU 66 3.957 3.048 -5.919 454 HB2 LEU 66 HB2 LEU 66 2.958 3.613 -3.542 455 HB3 LEU 66 HB3 LEU 66 3.262 1.918 -3.233 456 HG LEU 66 HG LEU 66 5.390 3.892 -4.074 457 HD11 LEU 66 HD11 LEU 66 6.098 3.844 -1.741 458 HD12 LEU 66 HD12 LEU 66 4.718 2.823 -1.337 459 HD13 LEU 66 HD13 LEU 66 4.459 4.476 -1.896 460 HD21 LEU 66 HD21 LEU 66 6.953 2.178 -3.378 461 HD22 LEU 66 HD22 LEU 66 5.876 1.538 -4.620 462 HD23 LEU 66 HD23 LEU 66 5.622 1.112 -2.927 463 H ILE 67 H ILE 67 1.839 0.489 -4.677 464 HA ILE 67 HA ILE 67 3.894 -1.513 -5.055 465 HB ILE 67 HB ILE 67 1.011 -2.066 -4.377 466 HG12 ILE 67 HG12 ILE 67 3.184 -1.481 -2.362 467 HG13 ILE 67 HG13 ILE 67 2.029 -0.266 -2.893 468 HG21 ILE 67 HG21 ILE 67 2.361 -4.001 -4.893 469 HG22 ILE 67 HG22 ILE 67 2.018 -3.969 -3.163 470 HG23 ILE 67 HG23 ILE 67 3.603 -3.476 -3.756 471 HD11 ILE 67 HD11 ILE 67 1.357 -1.241 -0.774 472 HD12 ILE 67 HD12 ILE 67 1.361 -2.849 -1.500 473 HD13 ILE 67 HD13 ILE 67 0.195 -1.642 -2.039 474 H GLY 68 H GLY 68 0.540 -1.164 -6.267 475 HA2 GLY 68 HA2 GLY 68 1.329 -2.882 -8.532 476 HA3 GLY 68 HA3 GLY 68 -0.270 -2.883 -7.812 477 H GLY 69 H GLY 69 -0.634 -0.058 -7.666 478 HA2 GLY 69 HA2 GLY 69 -1.117 1.713 -9.227 479 HA3 GLY 69 HA3 GLY 69 -0.904 0.562 -10.539 480 H ASN 70 H ASN 70 -2.391 -1.270 -8.540 481 HA ASN 70 HA ASN 70 -5.050 -0.742 -9.644 482 HB2 ASN 70 HB2 ASN 70 -5.462 -3.125 -9.057 483 HB3 ASN 70 HB3 ASN 70 -4.079 -2.936 -10.131 484 HD21 ASN 70 HD21 ASN 70 -4.768 -5.085 -8.249 485 HD22 ASN 70 HD22 ASN 70 -3.408 -5.231 -7.188 486 HA PRO 71 HA PRO 71 -6.824 -0.149 -5.524 487 HB2 PRO 71 HB2 PRO 71 -8.971 -2.050 -6.158 488 HB3 PRO 71 HB3 PRO 71 -9.077 -0.318 -5.830 489 HG2 PRO 71 HG2 PRO 71 -9.491 -1.328 -8.290 490 HG3 PRO 71 HG3 PRO 71 -8.737 0.257 -8.036 491 HD2 PRO 71 HD2 PRO 71 -7.453 -2.369 -8.693 492 HD3 PRO 71 HD3 PRO 71 -7.094 -0.750 -9.329 493 H VAL 72 H VAL 72 -6.160 -1.096 -3.691 494 HA VAL 72 HA VAL 72 -6.242 -3.976 -3.392 495 HB VAL 72 HB VAL 72 -4.050 -3.441 -4.496 496 HG11 VAL 72 HG11 VAL 72 -3.490 -2.008 -1.905 497 HG12 VAL 72 HG12 VAL 72 -3.623 -1.276 -3.503 498 HG13 VAL 72 HG13 VAL 72 -2.295 -2.380 -3.148 499 HG21 VAL 72 HG21 VAL 72 -3.939 -4.595 -1.713 500 HG22 VAL 72 HG22 VAL 72 -2.681 -4.774 -2.933 501 HG23 VAL 72 HG23 VAL 72 -4.278 -5.467 -3.209 502 H ALA 73 H ALA 73 -5.769 -4.621 -1.163 503 HA ALA 73 HA ALA 73 -6.560 -2.491 0.697 504 HB1 ALA 73 HB1 ALA 73 -6.683 -5.474 0.966 505 HB2 ALA 73 HB2 ALA 73 -8.024 -4.439 0.459 506 HB3 ALA 73 HB3 ALA 73 -7.362 -4.292 2.090 507 H PHE 74 H PHE 74 -5.007 -1.718 1.978 508 HA PHE 74 HA PHE 74 -2.849 -3.540 2.780 509 HB2 PHE 74 HB2 PHE 74 -1.226 -1.765 2.613 510 HB3 PHE 74 HB3 PHE 74 -2.074 -1.879 1.078 511 HD1 PHE 74 HD1 PHE 74 -4.200 -0.262 0.912 512 HD2 PHE 74 HD2 PHE 74 -0.859 0.296 3.483 513 HE1 PHE 74 HE1 PHE 74 -4.716 2.139 1.057 514 HE2 PHE 74 HE2 PHE 74 -1.365 2.690 3.619 515 HZ PHE 74 HZ PHE 74 -3.293 3.615 2.430 516 H ARG 75 H ARG 75 -2.443 -3.634 4.894 517 HA ARG 75 HA ARG 75 -3.899 -1.766 6.622 518 HB2 ARG 75 HB2 ARG 75 -2.814 -4.533 7.099 519 HB3 ARG 75 HB3 ARG 75 -3.307 -3.487 8.423 520 HG2 ARG 75 HG2 ARG 75 -5.074 -4.419 6.167 521 HG3 ARG 75 HG3 ARG 75 -5.072 -5.051 7.815 522 HD2 ARG 75 HD2 ARG 75 -5.617 -2.738 8.607 523 HD3 ARG 75 HD3 ARG 75 -5.813 -2.271 6.920 524 HE ARG 75 HE ARG 75 -7.408 -4.503 7.927 525 HH11 ARG 75 HH11 ARG 75 -7.246 -1.169 6.853 526 HH12 ARG 75 HH12 ARG 75 -8.967 -1.001 6.707 527 HH21 ARG 75 HH21 ARG 75 -9.670 -4.281 7.738 528 HH22 ARG 75 HH22 ARG 75 -10.343 -2.771 7.210 529 H LEU 76 H LEU 76 -2.813 -0.180 7.479 530 HA LEU 76 HA LEU 76 0.083 -0.273 7.645 531 HB2 LEU 76 HB2 LEU 76 -1.877 1.894 8.428 532 HB3 LEU 76 HB3 LEU 76 -0.132 2.064 8.408 533 HG LEU 76 HG LEU 76 -1.794 1.485 5.953 534 HD11 LEU 76 HD11 LEU 76 -0.642 4.109 6.892 535 HD12 LEU 76 HD12 LEU 76 -2.351 3.674 6.913 536 HD13 LEU 76 HD13 LEU 76 -1.500 3.824 5.377 537 HD21 LEU 76 HD21 LEU 76 1.070 2.407 6.236 538 HD22 LEU 76 HD22 LEU 76 0.217 2.072 4.722 539 HD23 LEU 76 HD23 LEU 76 0.565 0.762 5.852 540 H GLN 77 H GLN 77 0.693 -1.599 9.258 541 HA GLN 77 HA GLN 77 -0.801 -1.662 11.743 542 HB2 GLN 77 HB2 GLN 77 1.655 -3.208 10.915 543 HB3 GLN 77 HB3 GLN 77 0.665 -3.523 12.329 544 HG2 GLN 77 HG2 GLN 77 -1.250 -3.970 10.792 545 HG3 GLN 77 HG3 GLN 77 -0.119 -3.839 9.445 546 HE21 GLN 77 HE21 GLN 77 0.628 -5.246 12.571 547 HE22 GLN 77 HE22 GLN 77 0.817 -6.870 12.001 548 HA PRO 78 HA PRO 78 1.792 1.293 13.874 549 HB2 PRO 78 HB2 PRO 78 0.824 -0.257 16.219 550 HB3 PRO 78 HB3 PRO 78 0.771 1.483 15.922 551 HG2 PRO 78 HG2 PRO 78 -1.435 0.011 15.723 552 HG3 PRO 78 HG3 PRO 78 -1.118 1.334 14.584 553 HD2 PRO 78 HD2 PRO 78 -0.832 -1.617 14.192 554 HD3 PRO 78 HD3 PRO 78 -1.407 -0.375 13.060 555 H GLN 79 H GLN 79 1.977 -2.156 14.084 556 HA GLN 79 HA GLN 79 4.362 -2.314 15.638 557 HB2 GLN 79 HB2 GLN 79 2.991 -4.251 13.784 558 HB3 GLN 79 HB3 GLN 79 4.512 -4.635 14.573 559 HG2 GLN 79 HG2 GLN 79 3.398 -4.226 16.760 560 HG3 GLN 79 HG3 GLN 79 1.875 -4.052 15.888 561 HE21 GLN 79 HE21 GLN 79 0.918 -5.865 14.969 562 HE22 GLN 79 HE22 GLN 79 1.422 -7.476 15.358 563 H GLY 80 H GLY 80 3.849 -1.039 12.645 564 HA2 GLY 80 HA2 GLY 80 5.515 -0.108 11.291 565 HA3 GLY 80 HA3 GLY 80 6.691 -1.183 12.030 566 H GLN 81 H GLN 81 3.609 -2.160 10.603 567 HA GLN 81 HA GLN 81 5.138 -3.502 8.477 568 HB2 GLN 81 HB2 GLN 81 2.846 -4.751 9.996 569 HB3 GLN 81 HB3 GLN 81 3.763 -5.495 8.695 570 HG2 GLN 81 HG2 GLN 81 5.794 -5.295 10.164 571 HG3 GLN 81 HG3 GLN 81 4.704 -4.828 11.469 572 HE21 GLN 81 HE21 GLN 81 2.595 -6.647 10.424 573 HE22 GLN 81 HE22 GLN 81 3.093 -8.237 10.887 574 H ILE 82 H ILE 82 4.363 -3.236 6.501 575 HA ILE 82 HA ILE 82 1.564 -2.374 6.162 576 HB ILE 82 HB ILE 82 3.787 -2.299 4.106 577 HG12 ILE 82 HG12 ILE 82 2.632 -0.017 5.719 578 HG13 ILE 82 HG13 ILE 82 4.211 -0.743 5.994 579 HG21 ILE 82 HG21 ILE 82 2.241 -0.862 2.848 580 HG22 ILE 82 HG22 ILE 82 1.021 -1.095 4.101 581 HG23 ILE 82 HG23 ILE 82 1.566 -2.466 3.135 582 HD11 ILE 82 HD11 ILE 82 3.337 0.729 3.516 583 HD12 ILE 82 HD12 ILE 82 4.916 -0.016 3.763 584 HD13 ILE 82 HD13 ILE 82 4.413 1.340 4.774 585 H VAL 83 H VAL 83 0.339 -4.173 5.986 586 HA VAL 83 HA VAL 83 1.347 -6.355 4.272 587 HB VAL 83 HB VAL 83 -0.489 -6.610 6.664 588 HG11 VAL 83 HG11 VAL 83 -0.230 -9.025 6.349 589 HG12 VAL 83 HG12 VAL 83 0.715 -8.730 4.890 590 HG13 VAL 83 HG13 VAL 83 -0.985 -8.264 4.948 591 HG21 VAL 83 HG21 VAL 83 1.809 -6.109 7.317 592 HG22 VAL 83 HG22 VAL 83 2.386 -7.451 6.329 593 HG23 VAL 83 HG23 VAL 83 1.374 -7.766 7.739 594 H LEU 84 H LEU 84 0.124 -6.941 2.596 595 HA LEU 84 HA LEU 84 -2.343 -5.511 2.102 596 HB2 LEU 84 HB2 LEU 84 -0.717 -7.410 0.437 597 HB3 LEU 84 HB3 LEU 84 -2.302 -6.866 -0.062 598 HG LEU 84 HG LEU 84 -0.870 -5.497 -1.225 599 HD11 LEU 84 HD11 LEU 84 -2.575 -4.217 -0.066 600 HD12 LEU 84 HD12 LEU 84 -1.113 -3.281 -0.377 601 HD13 LEU 84 HD13 LEU 84 -1.432 -3.907 1.241 602 HD21 LEU 84 HD21 LEU 84 1.204 -6.136 -0.122 603 HD22 LEU 84 HD22 LEU 84 0.777 -5.139 1.269 604 HD23 LEU 84 HD23 LEU 84 1.096 -4.385 -0.291 605 H SER 85 H SER 85 -4.201 -6.622 1.234 606 HA SER 85 HA SER 85 -4.486 -9.448 1.557 607 HB2 SER 85 HB2 SER 85 -4.948 -8.577 3.880 608 HB3 SER 85 HB3 SER 85 -6.293 -7.662 3.203 609 HG SER 85 HG SER 85 -6.617 -9.923 4.145 610 H ARG 86 H ARG 86 -6.762 -10.060 0.863 611 HA ARG 86 HA ARG 86 -7.524 -8.291 -1.329 612 HB2 ARG 86 HB2 ARG 86 -8.607 -10.381 -2.243 613 HB3 ARG 86 HB3 ARG 86 -6.858 -10.395 -2.142 614 HG2 ARG 86 HG2 ARG 86 -7.086 -11.661 0.011 615 HG3 ARG 86 HG3 ARG 86 -8.805 -11.820 -0.360 616 HD2 ARG 86 HD2 ARG 86 -7.525 -13.792 -1.076 617 HD3 ARG 86 HD3 ARG 86 -8.276 -12.961 -2.439 618 HE ARG 86 HE ARG 86 -5.768 -11.888 -2.285 619 HH11 ARG 86 HH11 ARG 86 -7.031 -15.135 -2.629 620 HH12 ARG 86 HH12 ARG 86 -5.649 -15.709 -3.507 621 HH21 ARG 86 HH21 ARG 86 -3.964 -12.642 -3.458 622 HH22 ARG 86 HH22 ARG 86 -3.913 -14.299 -3.979 623 H LEU 87 H LEU 87 -8.693 -6.961 0.149 624 HA LEU 87 HA LEU 87 -11.088 -8.009 1.378 625 HB2 LEU 87 HB2 LEU 87 -9.814 -5.298 1.213 626 HB3 LEU 87 HB3 LEU 87 -11.476 -5.455 1.742 627 HG LEU 87 HG LEU 87 -10.700 -6.954 3.574 628 HD11 LEU 87 HD11 LEU 87 -8.327 -6.964 4.155 629 HD12 LEU 87 HD12 LEU 87 -7.961 -6.111 2.656 630 HD13 LEU 87 HD13 LEU 87 -8.626 -7.743 2.602 631 HD21 LEU 87 HD21 LEU 87 -9.540 -4.183 3.452 632 HD22 LEU 87 HD22 LEU 87 -9.690 -5.145 4.920 633 HD23 LEU 87 HD23 LEU 87 -11.134 -4.647 4.042 634 HA PRO 88 HA PRO 88 -13.684 -7.042 -2.072 635 HB2 PRO 88 HB2 PRO 88 -16.071 -7.008 -0.579 636 HB3 PRO 88 HB3 PRO 88 -15.325 -8.409 -1.343 637 HG2 PRO 88 HG2 PRO 88 -15.624 -7.982 1.413 638 HG3 PRO 88 HG3 PRO 88 -14.610 -9.214 0.648 639 HD2 PRO 88 HD2 PRO 88 -13.855 -6.559 1.770 640 HD3 PRO 88 HD3 PRO 88 -12.927 -8.072 1.731 641 H THR 89 H THR 89 -12.547 -4.787 -1.668 642 HA THR 89 HA THR 89 -14.164 -2.711 -0.579 643 HB THR 89 HB THR 89 -11.903 -2.363 -2.550 644 HG1 THR 89 HG1 THR 89 -11.072 -1.970 -0.065 645 HG21 THR 89 HG21 THR 89 -12.969 -0.580 -0.357 646 HG22 THR 89 HG22 THR 89 -13.301 -0.387 -2.078 647 HG23 THR 89 HG23 THR 89 -11.655 -0.194 -1.468 648 H ALA 90 H ALA 90 -16.158 -2.737 -1.543 649 HA ALA 90 HA ALA 90 -16.282 -2.193 -4.418 650 HB1 ALA 90 HB1 ALA 90 -17.714 -3.977 -3.587 651 HB2 ALA 90 HB2 ALA 90 -18.677 -2.630 -4.194 652 HB3 ALA 90 HB3 ALA 90 -18.470 -2.854 -2.457 653 H ASN 91 H ASN 91 -16.119 -0.076 -4.896 654 HA ASN 91 HA ASN 91 -17.013 1.915 -2.988 655 HB2 ASN 91 HB2 ASN 91 -16.008 3.558 -4.406 656 HB3 ASN 91 HB3 ASN 91 -14.904 2.191 -4.345 657 HD21 ASN 91 HD21 ASN 91 -14.548 0.983 -6.182 658 HD22 ASN 91 HD22 ASN 91 -15.078 1.483 -7.748 659 H GLY 92 H GLY 92 -18.297 0.232 -5.641 660 HA2 GLY 92 HA2 GLY 92 -20.386 2.281 -6.006 661 HA3 GLY 92 HA3 GLY 92 -19.954 1.072 -7.204 662 H ASP 93 H ASP 93 -20.203 0.172 -3.863 663 HA ASP 93 HA ASP 93 -22.256 -1.736 -4.519 664 HB2 ASP 93 HB2 ASP 93 -20.519 -2.402 -2.967 665 HB3 ASP 93 HB3 ASP 93 -20.921 -1.070 -1.888 666 H GLY 94 H GLY 94 -22.032 1.230 -2.623 667 HA2 GLY 94 HA2 GLY 94 -23.819 2.759 -2.397 668 HA3 GLY 94 HA3 GLY 94 -24.947 1.462 -2.763 669 H GLY 95 H GLY 95 -23.674 -0.384 -0.842 670 HA2 GLY 95 HA2 GLY 95 -23.246 -0.233 1.590 671 HA3 GLY 95 HA3 GLY 95 -24.554 0.934 1.652 672 H ALA 96 H ALA 96 -24.052 -2.340 0.344 673 HA ALA 96 HA ALA 96 -26.262 -3.275 2.033 674 HB1 ALA 96 HB1 ALA 96 -26.066 -3.841 -0.927 675 HB2 ALA 96 HB2 ALA 96 -27.262 -2.804 -0.150 676 HB3 ALA 96 HB3 ALA 96 -27.249 -4.536 0.181 677 H LEU 97 H LEU 97 -24.520 -4.141 3.263 678 HA LEU 97 HA LEU 97 -23.059 -5.725 3.956 679 HB2 LEU 97 HB2 LEU 97 -24.097 -7.255 1.570 680 HB3 LEU 97 HB3 LEU 97 -23.004 -7.922 2.767 681 HG LEU 97 HG LEU 97 -25.819 -6.964 3.290 682 HD11 LEU 97 HD11 LEU 97 -26.260 -9.346 3.719 683 HD12 LEU 97 HD12 LEU 97 -24.626 -9.727 3.174 684 HD13 LEU 97 HD13 LEU 97 -25.792 -9.032 2.050 685 HD21 LEU 97 HD21 LEU 97 -25.480 -7.965 5.522 686 HD22 LEU 97 HD22 LEU 97 -24.435 -6.576 5.229 687 HD23 LEU 97 HD23 LEU 97 -23.779 -8.209 5.128 688 H ALA 98 H ALA 98 -21.385 -7.448 2.413 689 HA ALA 98 HA ALA 98 -19.432 -7.508 1.269 690 HB1 ALA 98 HB1 ALA 98 -20.282 -4.894 0.032 691 HB2 ALA 98 HB2 ALA 98 -20.608 -6.500 -0.619 692 HB3 ALA 98 HB3 ALA 98 -18.948 -5.915 -0.506 693 H LEU 99 H LEU 99 -20.095 -4.175 2.317 694 HA LEU 99 HA LEU 99 -17.426 -3.579 2.993 695 HB2 LEU 99 HB2 LEU 99 -18.381 -1.653 4.205 696 HB3 LEU 99 HB3 LEU 99 -18.983 -1.806 2.569 697 HG LEU 99 HG LEU 99 -20.987 -3.043 3.744 698 HD11 LEU 99 HD11 LEU 99 -19.951 -1.284 5.963 699 HD12 LEU 99 HD12 LEU 99 -20.001 -3.047 5.978 700 HD13 LEU 99 HD13 LEU 99 -21.502 -2.124 5.938 701 HD21 LEU 99 HD21 LEU 99 -20.620 -0.052 3.828 702 HD22 LEU 99 HD22 LEU 99 -22.161 -0.906 3.895 703 HD23 LEU 99 HD23 LEU 99 -21.167 -0.996 2.442 704 H ASP 100 H ASP 100 -19.728 -5.530 4.504 705 HA ASP 100 HA ASP 100 -18.920 -5.358 7.202 706 HB2 ASP 100 HB2 ASP 100 -20.985 -6.500 6.476 707 HB3 ASP 100 HB3 ASP 100 -20.018 -7.732 5.675 708 H SER 101 H SER 101 -17.926 -7.525 4.564 709 HA SER 101 HA SER 101 -15.855 -8.758 6.097 710 HB2 SER 101 HB2 SER 101 -16.239 -8.722 3.097 711 HB3 SER 101 HB3 SER 101 -15.254 -9.861 4.012 712 HG SER 101 HG SER 101 -17.598 -9.995 5.115 713 H LEU 102 H LEU 102 -16.156 -5.810 4.485 714 HA LEU 102 HA LEU 102 -13.420 -5.371 3.793 715 HB2 LEU 102 HB2 LEU 102 -15.261 -4.135 2.745 716 HB3 LEU 102 HB3 LEU 102 -15.682 -3.430 4.292 717 HG LEU 102 HG LEU 102 -13.428 -2.319 4.305 718 HD11 LEU 102 HD11 LEU 102 -12.240 -2.122 2.190 719 HD12 LEU 102 HD12 LEU 102 -13.376 -3.241 1.438 720 HD13 LEU 102 HD13 LEU 102 -12.309 -3.800 2.723 721 HD21 LEU 102 HD21 LEU 102 -14.086 -0.565 2.735 722 HD22 LEU 102 HD22 LEU 102 -15.458 -1.117 3.694 723 HD23 LEU 102 HD23 LEU 102 -15.281 -1.648 2.022 724 H THR 103 H THR 103 -15.231 -5.301 6.699 725 HA THR 103 HA THR 103 -13.556 -3.534 8.182 726 HB THR 103 HB THR 103 -15.327 -5.731 9.262 727 HG1 THR 103 HG1 THR 103 -15.943 -3.056 8.489 728 HG21 THR 103 HG21 THR 103 -15.488 -4.260 11.228 729 HG22 THR 103 HG22 THR 103 -14.361 -3.135 10.468 730 HG23 THR 103 HG23 THR 103 -13.824 -4.754 10.916 731 H VAL 104 H VAL 104 -13.885 -7.058 8.043 732 HA VAL 104 HA VAL 104 -11.094 -7.481 8.507 733 HB VAL 104 HB VAL 104 -11.799 -7.011 10.807 734 HG11 VAL 104 HG11 VAL 104 -14.148 -7.633 10.623 735 HG12 VAL 104 HG12 VAL 104 -13.374 -8.449 11.981 736 HG13 VAL 104 HG13 VAL 104 -13.692 -9.332 10.490 737 HG21 VAL 104 HG21 VAL 104 -11.012 -9.087 11.873 738 HG22 VAL 104 HG22 VAL 104 -10.013 -8.609 10.502 739 HG23 VAL 104 HG23 VAL 104 -11.177 -9.922 10.328 740 H LEU 105 H LEU 105 -10.475 -9.569 7.980 741 HA LEU 105 HA LEU 105 -12.342 -11.700 7.644 742 HB2 LEU 105 HB2 LEU 105 -12.328 -11.935 5.275 743 HB3 LEU 105 HB3 LEU 105 -12.845 -10.303 5.638 744 HG LEU 105 HG LEU 105 -10.048 -11.036 4.753 745 HD11 LEU 105 HD11 LEU 105 -11.652 -11.508 2.986 746 HD12 LEU 105 HD12 LEU 105 -10.687 -10.086 2.591 747 HD13 LEU 105 HD13 LEU 105 -12.344 -9.896 3.165 748 HD21 LEU 105 HD21 LEU 105 -11.430 -8.364 4.960 749 HD22 LEU 105 HD22 LEU 105 -9.793 -8.649 4.369 750 HD23 LEU 105 HD23 LEU 105 -10.189 -8.967 6.057 751 H GLY 106 H GLY 106 -9.176 -10.321 7.193 752 HA2 GLY 106 HA2 GLY 106 -7.643 -12.147 8.354 753 HA3 GLY 106 HA3 GLY 106 -7.952 -12.929 6.810 754 H ALA 107 H ALA 107 -5.456 -11.911 8.006 755 HA ALA 107 HA ALA 107 -4.719 -9.842 6.062 756 HB1 ALA 107 HB1 ALA 107 -4.126 -9.417 8.399 757 HB2 ALA 107 HB2 ALA 107 -2.690 -9.569 7.387 758 HB3 ALA 107 HB3 ALA 107 -3.180 -10.905 8.429 759 H GLY 108 H GLY 108 -2.936 -10.147 4.654 760 HA2 GLY 108 HA2 GLY 108 -1.055 -11.641 4.039 761 HA3 GLY 108 HA3 GLY 108 -2.157 -12.979 4.326 762 H GLY 109 H GLY 109 -1.087 -10.586 2.117 763 HA2 GLY 109 HA2 GLY 109 -2.325 -11.987 -0.069 764 HA3 GLY 109 HA3 GLY 109 -2.992 -10.380 0.197 765 H ASN 110 H ASN 110 -1.576 -11.242 -2.134 766 HA ASN 110 HA ASN 110 0.864 -9.606 -1.922 767 HB2 ASN 110 HB2 ASN 110 1.186 -12.026 -2.557 768 HB3 ASN 110 HB3 ASN 110 0.264 -11.704 -4.019 769 HD21 ASN 110 HD21 ASN 110 2.601 -9.561 -2.476 770 HD22 ASN 110 HD22 ASN 110 3.728 -9.565 -3.785 771 H ASN 111 H ASN 111 1.210 -7.996 -3.459 772 HA ASN 111 HA ASN 111 -1.095 -7.413 -5.196 773 HB2 ASN 111 HB2 ASN 111 -1.029 -5.947 -3.186 774 HB3 ASN 111 HB3 ASN 111 0.560 -5.382 -3.679 775 HD21 ASN 111 HD21 ASN 111 -0.237 -3.268 -3.749 776 HD22 ASN 111 HD22 ASN 111 -1.207 -2.722 -5.066 777 H ALA 112 H ALA 112 0.387 -8.693 -6.626 778 HA ALA 112 HA ALA 112 2.198 -6.846 -8.022 779 HB1 ALA 112 HB1 ALA 112 3.552 -8.456 -6.765 780 HB2 ALA 112 HB2 ALA 112 3.719 -8.698 -8.504 781 HB3 ALA 112 HB3 ALA 112 2.705 -9.785 -7.556 Start of MODEL 18 1 H1 SER 6 H1 SER 6 -15.822 12.375 9.119 2 H2 SER 6 H2 SER 6 -14.963 12.977 7.792 3 H3 SER 6 H3 SER 6 -14.443 13.320 9.361 4 HA SER 6 HA SER 6 -13.951 11.019 9.757 5 HB2 SER 6 HB2 SER 6 -15.688 10.108 8.234 6 HB3 SER 6 HB3 SER 6 -14.733 10.645 6.853 7 HG SER 6 HG SER 6 -14.538 8.363 8.155 8 H MET 7 H MET 7 -11.834 10.474 9.574 9 HA MET 7 HA MET 7 -9.633 10.698 9.128 10 HB2 MET 7 HB2 MET 7 -10.701 11.374 6.392 11 HB3 MET 7 HB3 MET 7 -8.983 11.245 6.742 12 HG2 MET 7 HG2 MET 7 -9.293 8.922 7.423 13 HG3 MET 7 HG3 MET 7 -11.017 9.053 7.080 14 HE1 MET 7 HE1 MET 7 -11.113 9.452 3.216 15 HE2 MET 7 HE2 MET 7 -11.170 10.723 4.436 16 HE3 MET 7 HE3 MET 7 -12.057 9.220 4.687 17 H ALA 8 H ALA 8 -9.759 12.487 10.670 18 HA ALA 8 HA ALA 8 -9.536 15.158 9.542 19 HB1 ALA 8 HB1 ALA 8 -9.284 14.235 12.405 20 HB2 ALA 8 HB2 ALA 8 -10.749 14.858 11.648 21 HB3 ALA 8 HB3 ALA 8 -9.349 15.909 11.857 22 H GLN 9 H GLN 9 -7.523 12.868 11.364 23 HA GLN 9 HA GLN 9 -5.166 14.487 11.104 24 HB2 GLN 9 HB2 GLN 9 -5.569 12.900 12.998 25 HB3 GLN 9 HB3 GLN 9 -5.371 11.568 11.869 26 HG2 GLN 9 HG2 GLN 9 -3.084 12.247 11.432 27 HG3 GLN 9 HG3 GLN 9 -3.274 13.632 12.504 28 HE21 GLN 9 HE21 GLN 9 -1.375 11.445 12.654 29 HE22 GLN 9 HE22 GLN 9 -1.627 10.694 14.189 30 H ALA 10 H ALA 10 -6.688 11.916 9.336 31 HA ALA 10 HA ALA 10 -4.385 11.499 7.615 32 HB1 ALA 10 HB1 ALA 10 -5.730 9.788 6.540 33 HB2 ALA 10 HB2 ALA 10 -7.149 10.305 7.450 34 HB3 ALA 10 HB3 ALA 10 -5.775 9.588 8.292 35 H ALA 11 H ALA 11 -6.398 13.949 7.820 36 HA ALA 11 HA ALA 11 -7.276 14.218 5.088 37 HB1 ALA 11 HB1 ALA 11 -8.533 15.233 6.938 38 HB2 ALA 11 HB2 ALA 11 -8.023 16.435 5.753 39 HB3 ALA 11 HB3 ALA 11 -7.160 16.285 7.283 40 H GLN 12 H GLN 12 -4.691 13.649 4.942 41 HA GLN 12 HA GLN 12 -3.427 16.135 4.073 42 HB2 GLN 12 HB2 GLN 12 -1.288 15.425 5.114 43 HB3 GLN 12 HB3 GLN 12 -2.536 15.773 6.303 44 HG2 GLN 12 HG2 GLN 12 -2.964 13.408 6.593 45 HG3 GLN 12 HG3 GLN 12 -1.788 13.021 5.339 46 HE21 GLN 12 HE21 GLN 12 -0.590 11.766 6.772 47 HE22 GLN 12 HE22 GLN 12 0.402 12.481 7.998 48 H GLN 13 H GLN 13 -1.511 15.685 2.706 49 HA GLN 13 HA GLN 13 -1.489 12.996 1.541 50 HB2 GLN 13 HB2 GLN 13 -1.249 13.991 -0.711 51 HB3 GLN 13 HB3 GLN 13 -2.805 14.345 0.023 52 HG2 GLN 13 HG2 GLN 13 -1.972 16.571 0.654 53 HG3 GLN 13 HG3 GLN 13 -0.455 16.211 -0.170 54 HE21 GLN 13 HE21 GLN 13 -3.845 16.847 -0.552 55 HE22 GLN 13 HE22 GLN 13 -3.796 17.192 -2.245 56 H LYS 14 H LYS 14 0.517 12.497 0.421 57 HA LYS 14 HA LYS 14 2.768 14.128 1.405 58 HB2 LYS 14 HB2 LYS 14 2.820 11.126 1.070 59 HB3 LYS 14 HB3 LYS 14 4.037 12.137 1.830 60 HG2 LYS 14 HG2 LYS 14 1.270 11.578 2.883 61 HG3 LYS 14 HG3 LYS 14 2.782 10.905 3.492 62 HD2 LYS 14 HD2 LYS 14 2.015 13.825 3.506 63 HD3 LYS 14 HD3 LYS 14 1.972 12.742 4.898 64 HE2 LYS 14 HE2 LYS 14 4.386 12.417 4.718 65 HE3 LYS 14 HE3 LYS 14 4.429 13.484 3.315 66 HZ1 LYS 14 HZ1 LYS 14 3.590 15.275 4.748 67 HZ2 LYS 14 HZ2 LYS 14 5.087 14.686 5.263 68 HZ3 LYS 14 HZ3 LYS 14 3.677 14.241 6.083 69 H ASN 15 H ASN 15 4.533 14.343 0.019 70 HA ASN 15 HA ASN 15 3.932 13.769 -2.777 71 HB2 ASN 15 HB2 ASN 15 4.606 16.057 -2.231 72 HB3 ASN 15 HB3 ASN 15 6.111 15.464 -1.537 73 HD21 ASN 15 HD21 ASN 15 7.782 14.903 -2.865 74 HD22 ASN 15 HD22 ASN 15 7.782 15.201 -4.571 75 H PHE 16 H PHE 16 4.453 11.748 -3.285 76 HA PHE 16 HA PHE 16 6.986 10.636 -2.305 77 HB2 PHE 16 HB2 PHE 16 4.690 9.252 -3.702 78 HB3 PHE 16 HB3 PHE 16 6.122 8.467 -3.057 79 HD1 PHE 16 HD1 PHE 16 6.473 8.431 -0.586 80 HD2 PHE 16 HD2 PHE 16 2.838 9.708 -2.366 81 HE1 PHE 16 HE1 PHE 16 5.311 8.073 1.554 82 HE2 PHE 16 HE2 PHE 16 1.660 9.358 -0.232 83 HZ PHE 16 HZ PHE 16 2.899 8.538 1.732 84 H ASN 17 H ASN 17 8.644 10.264 -3.626 85 HA ASN 17 HA ASN 17 8.138 10.098 -6.508 86 HB2 ASN 17 HB2 ASN 17 10.377 11.254 -6.857 87 HB3 ASN 17 HB3 ASN 17 9.062 12.281 -6.306 88 HD21 ASN 17 HD21 ASN 17 9.101 13.098 -4.216 89 HD22 ASN 17 HD22 ASN 17 10.543 13.112 -3.262 90 H ILE 18 H ILE 18 8.249 7.901 -6.489 91 HA ILE 18 HA ILE 18 10.708 6.682 -5.406 92 HB ILE 18 HB ILE 18 8.064 5.278 -5.784 93 HG12 ILE 18 HG12 ILE 18 7.775 7.097 -4.143 94 HG13 ILE 18 HG13 ILE 18 7.660 5.514 -3.388 95 HG21 ILE 18 HG21 ILE 18 10.001 3.823 -5.716 96 HG22 ILE 18 HG22 ILE 18 9.031 3.622 -4.255 97 HG23 ILE 18 HG23 ILE 18 10.524 4.558 -4.200 98 HD11 ILE 18 HD11 ILE 18 8.902 7.105 -2.023 99 HD12 ILE 18 HD12 ILE 18 10.076 7.305 -3.325 100 HD13 ILE 18 HD13 ILE 18 9.912 5.744 -2.519 101 H ALA 19 H ALA 19 12.032 6.139 -7.016 102 HA ALA 19 HA ALA 19 11.169 5.402 -9.640 103 HB1 ALA 19 HB1 ALA 19 13.820 4.922 -8.270 104 HB2 ALA 19 HB2 ALA 19 13.399 6.350 -9.216 105 HB3 ALA 19 HB3 ALA 19 13.505 4.774 -10.000 106 H ALA 20 H ALA 20 11.383 3.213 -10.564 107 HA ALA 20 HA ALA 20 10.096 1.348 -8.847 108 HB1 ALA 20 HB1 ALA 20 9.650 1.442 -11.253 109 HB2 ALA 20 HB2 ALA 20 10.166 -0.170 -10.755 110 HB3 ALA 20 HB3 ALA 20 11.297 0.903 -11.579 111 H GLN 21 H GLN 21 11.263 0.701 -7.189 112 HA GLN 21 HA GLN 21 13.820 -0.666 -7.651 113 HB2 GLN 21 HB2 GLN 21 12.524 0.370 -5.118 114 HB3 GLN 21 HB3 GLN 21 14.055 -0.493 -5.173 115 HG2 GLN 21 HG2 GLN 21 15.153 1.264 -6.217 116 HG3 GLN 21 HG3 GLN 21 13.650 2.000 -6.773 117 HE21 GLN 21 HE21 GLN 21 12.456 3.256 -5.383 118 HE22 GLN 21 HE22 GLN 21 13.085 3.838 -3.880 119 HA PRO 22 HA PRO 22 12.010 -4.667 -6.348 120 HB2 PRO 22 HB2 PRO 22 13.913 -4.543 -4.050 121 HB3 PRO 22 HB3 PRO 22 13.601 -5.869 -5.177 122 HG2 PRO 22 HG2 PRO 22 15.812 -4.404 -5.397 123 HG3 PRO 22 HG3 PRO 22 14.936 -4.950 -6.838 124 HD2 PRO 22 HD2 PRO 22 15.019 -2.243 -5.584 125 HD3 PRO 22 HD3 PRO 22 14.927 -2.689 -7.299 126 H LEU 23 H LEU 23 10.232 -4.997 -5.093 127 HA LEU 23 HA LEU 23 9.005 -2.767 -4.046 128 HB2 LEU 23 HB2 LEU 23 8.270 -5.338 -4.666 129 HB3 LEU 23 HB3 LEU 23 7.983 -5.270 -2.940 130 HG LEU 23 HG LEU 23 6.826 -3.358 -4.972 131 HD11 LEU 23 HD11 LEU 23 5.535 -5.627 -3.466 132 HD12 LEU 23 HD12 LEU 23 5.899 -5.599 -5.192 133 HD13 LEU 23 HD13 LEU 23 4.708 -4.484 -4.522 134 HD21 LEU 23 HD21 LEU 23 5.426 -2.582 -3.129 135 HD22 LEU 23 HD22 LEU 23 7.136 -2.324 -2.785 136 HD23 LEU 23 HD23 LEU 23 6.277 -3.662 -2.023 137 H GLN 24 H GLN 24 10.531 -5.406 -2.209 138 HA GLN 24 HA GLN 24 10.004 -4.580 0.363 139 HB2 GLN 24 HB2 GLN 24 12.460 -5.895 -0.791 140 HB3 GLN 24 HB3 GLN 24 12.227 -5.659 0.939 141 HG2 GLN 24 HG2 GLN 24 10.337 -7.060 0.975 142 HG3 GLN 24 HG3 GLN 24 10.230 -7.084 -0.781 143 HE21 GLN 24 HE21 GLN 24 10.267 -9.277 -0.913 144 HE22 GLN 24 HE22 GLN 24 11.685 -10.217 -0.576 145 H SER 25 H SER 25 12.892 -3.651 -1.539 146 HA SER 25 HA SER 25 13.806 -1.831 0.433 147 HB2 SER 25 HB2 SER 25 15.334 -1.031 -1.424 148 HB3 SER 25 HB3 SER 25 15.442 -2.743 -1.026 149 HG SER 25 HG SER 25 13.567 -2.301 -2.935 150 H ALA 26 H ALA 26 11.549 -1.563 -2.170 151 HA ALA 26 HA ALA 26 11.670 1.156 -2.776 152 HB1 ALA 26 HB1 ALA 26 9.228 -0.612 -2.688 153 HB2 ALA 26 HB2 ALA 26 10.350 -0.471 -4.044 154 HB3 ALA 26 HB3 ALA 26 9.374 0.917 -3.559 155 H MET 27 H MET 27 9.492 -0.471 -0.480 156 HA MET 27 HA MET 27 8.586 2.025 0.615 157 HB2 MET 27 HB2 MET 27 8.275 -0.744 1.785 158 HB3 MET 27 HB3 MET 27 7.328 0.682 2.185 159 HG2 MET 27 HG2 MET 27 6.541 0.702 -0.195 160 HG3 MET 27 HG3 MET 27 7.327 -0.862 -0.389 161 HE1 MET 27 HE1 MET 27 5.029 -1.953 -1.172 162 HE2 MET 27 HE2 MET 27 4.325 -0.343 -1.035 163 HE3 MET 27 HE3 MET 27 3.518 -1.722 -0.295 164 H LEU 28 H LEU 28 11.071 -0.291 1.354 165 HA LEU 28 HA LEU 28 11.673 0.519 3.954 166 HB2 LEU 28 HB2 LEU 28 12.659 -1.448 2.838 167 HB3 LEU 28 HB3 LEU 28 13.590 -0.383 1.804 168 HG LEU 28 HG LEU 28 14.788 0.473 3.790 169 HD11 LEU 28 HD11 LEU 28 13.203 -1.636 5.254 170 HD12 LEU 28 HD12 LEU 28 13.097 0.109 5.483 171 HD13 LEU 28 HD13 LEU 28 14.575 -0.748 5.918 172 HD21 LEU 28 HD21 LEU 28 16.096 -1.564 4.214 173 HD22 LEU 28 HD22 LEU 28 15.752 -1.333 2.500 174 HD23 LEU 28 HD23 LEU 28 14.838 -2.519 3.431 175 H ARG 29 H ARG 29 12.203 2.108 0.908 176 HA ARG 29 HA ARG 29 14.181 3.942 1.864 177 HB2 ARG 29 HB2 ARG 29 12.347 4.115 -0.528 178 HB3 ARG 29 HB3 ARG 29 13.704 5.185 -0.224 179 HG2 ARG 29 HG2 ARG 29 13.902 2.211 -0.651 180 HG3 ARG 29 HG3 ARG 29 14.197 3.436 -1.879 181 HD2 ARG 29 HD2 ARG 29 16.313 2.748 -1.061 182 HD3 ARG 29 HD3 ARG 29 16.007 4.350 -0.400 183 HE ARG 29 HE ARG 29 15.148 2.739 1.575 184 HH11 ARG 29 HH11 ARG 29 18.101 2.747 -0.296 185 HH12 ARG 29 HH12 ARG 29 19.081 2.163 1.011 186 HH21 ARG 29 HH21 ARG 29 16.438 2.008 3.320 187 HH22 ARG 29 HH22 ARG 29 18.131 1.726 3.060 188 H PHE 30 H PHE 30 10.731 4.422 1.025 189 HA PHE 30 HA PHE 30 10.844 7.062 2.181 190 HB2 PHE 30 HB2 PHE 30 8.801 7.475 1.159 191 HB3 PHE 30 HB3 PHE 30 9.508 6.264 0.102 192 HD1 PHE 30 HD2 PHE 30 6.895 6.929 2.573 193 HD2 PHE 30 HD1 PHE 30 8.582 4.057 -0.077 194 HE1 PHE 30 HE2 PHE 30 4.876 5.542 2.798 195 HE2 PHE 30 HE1 PHE 30 6.563 2.671 0.140 196 HZ PHE 30 HZ PHE 30 4.709 3.409 1.580 197 H ALA 31 H ALA 31 9.458 3.957 3.030 198 HA ALA 31 HA ALA 31 7.794 5.018 5.097 199 HB1 ALA 31 HB1 ALA 31 7.284 2.687 5.624 200 HB2 ALA 31 HB2 ALA 31 8.556 2.159 4.526 201 HB3 ALA 31 HB3 ALA 31 7.145 3.008 3.897 202 H GLU 32 H GLU 32 11.034 3.585 5.011 203 HA GLU 32 HA GLU 32 11.216 3.072 7.781 204 HB2 GLU 32 HB2 GLU 32 13.495 2.728 7.504 205 HB3 GLU 32 HB3 GLU 32 12.868 2.393 5.899 206 HG2 GLU 32 HG2 GLU 32 13.589 4.543 5.108 207 HG3 GLU 32 HG3 GLU 32 14.070 5.023 6.735 208 H GLN 33 H GLN 33 11.627 5.992 5.922 209 HA GLN 33 HA GLN 33 12.769 7.516 8.061 210 HB2 GLN 33 HB2 GLN 33 11.483 8.428 5.479 211 HB3 GLN 33 HB3 GLN 33 12.427 9.442 6.563 212 HG2 GLN 33 HG2 GLN 33 14.391 8.053 6.156 213 HG3 GLN 33 HG3 GLN 33 13.446 7.030 5.077 214 HE21 GLN 33 HE21 GLN 33 14.747 7.446 3.324 215 HE22 GLN 33 HE22 GLN 33 14.770 8.974 2.517 216 H ALA 34 H ALA 34 9.608 6.604 7.115 217 HA ALA 34 HA ALA 34 8.360 8.684 8.747 218 HB1 ALA 34 HB1 ALA 34 7.095 6.500 7.094 219 HB2 ALA 34 HB2 ALA 34 7.351 8.168 6.581 220 HB3 ALA 34 HB3 ALA 34 6.243 7.814 7.905 221 H GLY 35 H GLY 35 9.656 5.642 9.175 222 HA2 GLY 35 HA2 GLY 35 9.761 4.484 11.212 223 HA3 GLY 35 HA3 GLY 35 8.356 5.380 11.769 224 H MET 36 H MET 36 8.579 3.642 8.722 225 HA MET 36 HA MET 36 6.768 1.573 9.757 226 HB2 MET 36 HB2 MET 36 6.360 3.178 7.226 227 HB3 MET 36 HB3 MET 36 5.430 1.751 7.660 228 HG2 MET 36 HG2 MET 36 4.498 2.862 9.558 229 HG3 MET 36 HG3 MET 36 5.559 4.248 9.327 230 HE1 MET 36 HE1 MET 36 2.494 2.239 7.960 231 HE2 MET 36 HE2 MET 36 3.606 2.192 6.592 232 HE3 MET 36 HE3 MET 36 2.111 3.119 6.480 233 H GLN 37 H GLN 37 6.730 -0.374 8.423 234 HA GLN 37 HA GLN 37 8.787 -0.632 6.392 235 HB2 GLN 37 HB2 GLN 37 9.945 -0.983 8.590 236 HB3 GLN 37 HB3 GLN 37 8.877 -2.348 8.883 237 HG2 GLN 37 HG2 GLN 37 9.787 -3.535 7.009 238 HG3 GLN 37 HG3 GLN 37 10.747 -2.134 6.535 239 HE21 GLN 37 HE21 GLN 37 10.330 -3.097 9.866 240 HE22 GLN 37 HE22 GLN 37 11.954 -3.631 10.113 241 H VAL 38 H VAL 38 8.675 -2.757 5.309 242 HA VAL 38 HA VAL 38 5.928 -3.511 4.925 243 HB VAL 38 HB VAL 38 8.367 -4.810 3.699 244 HG11 VAL 38 HG11 VAL 38 5.492 -4.652 2.804 245 HG12 VAL 38 HG12 VAL 38 6.327 -6.080 3.418 246 HG13 VAL 38 HG13 VAL 38 6.811 -5.369 1.878 247 HG21 VAL 38 HG21 VAL 38 8.466 -2.407 3.290 248 HG22 VAL 38 HG22 VAL 38 6.813 -2.433 2.679 249 HG23 VAL 38 HG23 VAL 38 8.089 -3.279 1.803 250 H PHE 39 H PHE 39 4.904 -5.303 5.628 251 HA PHE 39 HA PHE 39 6.395 -7.032 7.474 252 HB2 PHE 39 HB2 PHE 39 4.467 -5.888 8.446 253 HB3 PHE 39 HB3 PHE 39 3.413 -6.568 7.210 254 HD1 PHE 39 HD2 PHE 39 5.715 -7.546 9.962 255 HD2 PHE 39 HD1 PHE 39 2.332 -8.583 7.593 256 HE1 PHE 39 HE2 PHE 39 5.317 -9.506 11.394 257 HE2 PHE 39 HE1 PHE 39 1.931 -10.546 9.023 258 HZ PHE 39 HZ PHE 39 3.425 -11.007 10.924 259 H PHE 40 H PHE 40 6.885 -9.012 6.883 260 HA PHE 40 HA PHE 40 5.097 -10.727 5.502 261 HB2 PHE 40 HB2 PHE 40 6.385 -11.090 3.459 262 HB3 PHE 40 HB3 PHE 40 5.884 -9.408 3.565 263 HD1 PHE 40 HD1 PHE 40 7.627 -7.734 4.479 264 HD2 PHE 40 HD2 PHE 40 8.597 -11.629 3.068 265 HE1 PHE 40 HE1 PHE 40 9.954 -7.025 4.132 266 HE2 PHE 40 HE2 PHE 40 10.928 -10.927 2.723 267 HZ PHE 40 HZ PHE 40 11.607 -8.622 3.253 268 H ASP 41 H ASP 41 5.650 -12.838 5.809 269 HA ASP 41 HA ASP 41 7.894 -13.396 7.531 270 HB2 ASP 41 HB2 ASP 41 7.057 -15.714 7.515 271 HB3 ASP 41 HB3 ASP 41 5.779 -14.571 7.896 272 H GLU 42 H GLU 42 8.988 -15.729 6.764 273 HA GLU 42 HA GLU 42 10.757 -14.843 4.733 274 HB2 GLU 42 HB2 GLU 42 10.478 -17.571 6.002 275 HB3 GLU 42 HB3 GLU 42 11.801 -17.084 4.951 276 HG2 GLU 42 HG2 GLU 42 12.309 -15.258 6.583 277 HG3 GLU 42 HG3 GLU 42 11.120 -15.982 7.663 278 H VAL 43 H VAL 43 9.603 -14.482 2.884 279 HA VAL 43 HA VAL 43 8.789 -16.887 1.407 280 HB VAL 43 HB VAL 43 6.974 -15.589 0.338 281 HG11 VAL 43 HG11 VAL 43 5.425 -15.594 2.247 282 HG12 VAL 43 HG12 VAL 43 6.797 -15.767 3.341 283 HG13 VAL 43 HG13 VAL 43 6.422 -17.045 2.186 284 HG21 VAL 43 HG21 VAL 43 7.615 -13.497 2.417 285 HG22 VAL 43 HG22 VAL 43 6.228 -13.477 1.326 286 HG23 VAL 43 HG23 VAL 43 7.862 -13.342 0.676 287 H LYS 44 H LYS 44 8.366 -16.063 -1.007 288 HA LYS 44 HA LYS 44 10.427 -14.133 -1.768 289 HB2 LYS 44 HB2 LYS 44 11.382 -16.434 -1.950 290 HB3 LYS 44 HB3 LYS 44 10.105 -16.832 -3.091 291 HG2 LYS 44 HG2 LYS 44 10.927 -15.055 -4.587 292 HG3 LYS 44 HG3 LYS 44 12.246 -14.749 -3.457 293 HD2 LYS 44 HD2 LYS 44 13.051 -16.153 -5.237 294 HD3 LYS 44 HD3 LYS 44 12.979 -17.099 -3.752 295 HE2 LYS 44 HE2 LYS 44 10.943 -18.157 -4.452 296 HE3 LYS 44 HE3 LYS 44 10.823 -17.096 -5.856 297 HZ1 LYS 44 HZ1 LYS 44 11.665 -19.296 -6.430 298 HZ2 LYS 44 HZ2 LYS 44 12.985 -19.078 -5.397 299 HZ3 LYS 44 HZ3 LYS 44 12.808 -18.094 -6.758 300 H LEU 45 H LEU 45 9.506 -12.645 -2.994 301 HA LEU 45 HA LEU 45 7.210 -13.413 -4.660 302 HB2 LEU 45 HB2 LEU 45 6.765 -11.604 -3.067 303 HB3 LEU 45 HB3 LEU 45 8.107 -10.684 -3.719 304 HG LEU 45 HG LEU 45 6.904 -10.569 -5.903 305 HD11 LEU 45 HD11 LEU 45 4.504 -11.093 -5.930 306 HD12 LEU 45 HD12 LEU 45 4.654 -11.804 -4.322 307 HD13 LEU 45 HD13 LEU 45 5.501 -12.528 -5.688 308 HD21 LEU 45 HD21 LEU 45 5.292 -8.887 -5.186 309 HD22 LEU 45 HD22 LEU 45 6.806 -8.730 -4.296 310 HD23 LEU 45 HD23 LEU 45 5.404 -9.474 -3.527 311 H ASP 46 H ASP 46 8.130 -14.139 -6.514 312 HA ASP 46 HA ASP 46 10.440 -12.972 -7.672 313 HB2 ASP 46 HB2 ASP 46 9.892 -15.273 -8.193 314 HB3 ASP 46 HB3 ASP 46 8.349 -14.783 -8.888 315 H GLY 47 H GLY 47 10.651 -11.262 -8.926 316 HA2 GLY 47 HA2 GLY 47 10.041 -9.666 -10.525 317 HA3 GLY 47 HA3 GLY 47 8.384 -10.246 -10.440 318 H MET 48 H MET 48 9.876 -9.712 -7.421 319 HA MET 48 HA MET 48 8.047 -7.786 -6.573 320 HB2 MET 48 HB2 MET 48 9.595 -7.397 -4.671 321 HB3 MET 48 HB3 MET 48 9.294 -9.104 -4.969 322 HG2 MET 48 HG2 MET 48 11.433 -9.332 -6.069 323 HG3 MET 48 HG3 MET 48 11.733 -7.605 -5.902 324 HE1 MET 48 HE1 MET 48 14.324 -9.271 -3.460 325 HE2 MET 48 HE2 MET 48 14.121 -8.157 -4.812 326 HE3 MET 48 HE3 MET 48 13.773 -9.873 -5.022 327 H GLN 49 H GLN 49 7.809 -5.746 -7.145 328 HA GLN 49 HA GLN 49 10.012 -3.946 -7.401 329 HB2 GLN 49 HB2 GLN 49 10.123 -5.131 -9.583 330 HB3 GLN 49 HB3 GLN 49 8.467 -4.640 -9.909 331 HG2 GLN 49 HG2 GLN 49 9.116 -2.319 -9.936 332 HG3 GLN 49 HG3 GLN 49 10.765 -2.745 -9.482 333 HE21 GLN 49 HE21 GLN 49 8.899 -4.645 -11.729 334 HE22 GLN 49 HE22 GLN 49 9.802 -4.224 -13.139 335 H ALA 50 H ALA 50 9.360 -1.843 -7.290 336 HA ALA 50 HA ALA 50 6.594 -1.381 -6.578 337 HB1 ALA 50 HB1 ALA 50 8.388 -0.344 -5.281 338 HB2 ALA 50 HB2 ALA 50 7.356 0.878 -6.025 339 HB3 ALA 50 HB3 ALA 50 8.936 0.517 -6.719 340 H ALA 51 H ALA 51 5.184 -0.004 -7.651 341 HA ALA 51 HA ALA 51 5.524 0.199 -10.494 342 HB1 ALA 51 HB1 ALA 51 3.375 1.320 -8.694 343 HB2 ALA 51 HB2 ALA 51 3.333 -0.246 -9.503 344 HB3 ALA 51 HB3 ALA 51 3.308 1.238 -10.454 345 H ALA 52 H ALA 52 4.986 2.401 -11.543 346 HA ALA 52 HA ALA 52 7.021 4.241 -10.794 347 HB1 ALA 52 HB1 ALA 52 6.187 5.610 -12.633 348 HB2 ALA 52 HB2 ALA 52 4.755 4.588 -12.756 349 HB3 ALA 52 HB3 ALA 52 6.347 3.924 -13.125 350 H LEU 53 H LEU 53 6.624 4.946 -8.726 351 HA LEU 53 HA LEU 53 4.040 6.198 -8.165 352 HB2 LEU 53 HB2 LEU 53 5.237 4.378 -6.718 353 HB3 LEU 53 HB3 LEU 53 6.209 5.718 -6.151 354 HG LEU 53 HG LEU 53 4.376 5.177 -4.612 355 HD11 LEU 53 HD11 LEU 53 3.512 7.412 -4.309 356 HD12 LEU 53 HD12 LEU 53 4.006 7.847 -5.944 357 HD13 LEU 53 HD13 LEU 53 5.225 7.466 -4.728 358 HD21 LEU 53 HD21 LEU 53 2.770 4.375 -6.278 359 HD22 LEU 53 HD22 LEU 53 2.556 6.029 -6.852 360 HD23 LEU 53 HD23 LEU 53 2.077 5.595 -5.213 361 H ASN 54 H ASN 54 4.154 8.222 -8.974 362 HA ASN 54 HA ASN 54 6.013 10.035 -7.665 363 HB2 ASN 54 HB2 ASN 54 6.456 11.191 -9.880 364 HB3 ASN 54 HB3 ASN 54 7.236 9.629 -9.670 365 HD21 ASN 54 HD21 ASN 54 6.541 7.874 -10.903 366 HD22 ASN 54 HD22 ASN 54 5.552 8.076 -12.307 367 H GLY 55 H GLY 55 4.487 11.111 -6.548 368 HA2 GLY 55 HA2 GLY 55 2.970 13.098 -7.801 369 HA3 GLY 55 HA3 GLY 55 1.904 11.734 -7.507 370 H SER 56 H SER 56 1.332 14.102 -6.339 371 HA SER 56 HA SER 56 2.106 13.729 -3.530 372 HB2 SER 56 HB2 SER 56 2.428 16.004 -4.531 373 HB3 SER 56 HB3 SER 56 0.689 16.087 -4.797 374 HG SER 56 HG SER 56 0.339 16.256 -2.672 375 H MET 57 H MET 57 0.760 12.383 -2.535 376 HA MET 57 HA MET 57 -2.094 12.755 -2.683 377 HB2 MET 57 HB2 MET 57 -2.441 10.327 -3.387 378 HB3 MET 57 HB3 MET 57 -1.957 11.454 -4.647 379 HG2 MET 57 HG2 MET 57 0.401 10.688 -4.288 380 HG3 MET 57 HG3 MET 57 -0.246 9.426 -3.240 381 HE1 MET 57 HE1 MET 57 1.540 9.297 -6.053 382 HE2 MET 57 HE2 MET 57 0.886 7.811 -6.736 383 HE3 MET 57 HE3 MET 57 1.267 7.897 -5.017 384 H SER 58 H SER 58 -3.215 10.996 -1.332 385 HA SER 58 HA SER 58 -1.872 11.013 1.194 386 HB2 SER 58 HB2 SER 58 -4.518 9.764 0.421 387 HB3 SER 58 HB3 SER 58 -3.950 10.060 2.064 388 HG SER 58 HG SER 58 -4.192 12.202 1.795 389 H VAL 59 H VAL 59 -1.807 9.011 2.581 390 HA VAL 59 HA VAL 59 -0.009 7.190 1.503 391 HB VAL 59 HB VAL 59 -1.825 6.653 3.854 392 HG11 VAL 59 HG11 VAL 59 -0.572 4.710 3.065 393 HG12 VAL 59 HG12 VAL 59 -0.005 5.249 4.646 394 HG13 VAL 59 HG13 VAL 59 0.930 5.627 3.199 395 HG21 VAL 59 HG21 VAL 59 -0.761 8.811 4.147 396 HG22 VAL 59 HG22 VAL 59 0.812 8.115 3.763 397 HG23 VAL 59 HG23 VAL 59 -0.032 7.629 5.233 398 H GLU 60 H GLU 60 -3.504 6.856 1.914 399 HA GLU 60 HA GLU 60 -3.801 4.225 1.093 400 HB2 GLU 60 HB2 GLU 60 -5.599 6.614 0.759 401 HB3 GLU 60 HB3 GLU 60 -6.090 4.994 0.291 402 HG2 GLU 60 HG2 GLU 60 -5.721 4.253 2.619 403 HG3 GLU 60 HG3 GLU 60 -5.329 5.916 3.055 404 H GLN 61 H GLN 61 -3.872 7.146 -0.949 405 HA GLN 61 HA GLN 61 -4.164 5.680 -3.367 406 HB2 GLN 61 HB2 GLN 61 -3.252 8.513 -2.850 407 HB3 GLN 61 HB3 GLN 61 -3.509 7.848 -4.457 408 HG2 GLN 61 HG2 GLN 61 -5.578 8.194 -2.301 409 HG3 GLN 61 HG3 GLN 61 -5.423 9.139 -3.781 410 HE21 GLN 61 HE21 GLN 61 -6.452 6.149 -2.389 411 HE22 GLN 61 HE22 GLN 61 -7.247 5.523 -3.792 412 H GLY 62 H GLY 62 -1.405 6.967 -1.596 413 HA2 GLY 62 HA2 GLY 62 0.546 6.568 -3.576 414 HA3 GLY 62 HA3 GLY 62 0.847 6.669 -1.848 415 H LEU 63 H LEU 63 -0.251 4.514 -0.766 416 HA LEU 63 HA LEU 63 1.636 2.537 -1.447 417 HB2 LEU 63 HB2 LEU 63 -0.544 2.824 0.516 418 HB3 LEU 63 HB3 LEU 63 -0.088 1.181 0.131 419 HG LEU 63 HG LEU 63 1.079 1.930 2.111 420 HD11 LEU 63 HD11 LEU 63 3.367 1.468 1.437 421 HD12 LEU 63 HD12 LEU 63 2.948 1.767 -0.248 422 HD13 LEU 63 HD13 LEU 63 2.240 0.397 0.607 423 HD21 LEU 63 HD21 LEU 63 1.033 4.343 1.610 424 HD22 LEU 63 HD22 LEU 63 2.275 4.095 0.383 425 HD23 LEU 63 HD23 LEU 63 2.637 3.781 2.080 426 H ARG 64 H ARG 64 -1.884 2.686 -2.005 427 HA ARG 64 HA ARG 64 -2.148 0.087 -3.021 428 HB2 ARG 64 HB2 ARG 64 -3.757 2.583 -3.522 429 HB3 ARG 64 HB3 ARG 64 -4.210 1.014 -4.178 430 HG2 ARG 64 HG2 ARG 64 -4.429 0.109 -1.953 431 HG3 ARG 64 HG3 ARG 64 -3.856 1.623 -1.253 432 HD2 ARG 64 HD2 ARG 64 -5.821 2.745 -2.363 433 HD3 ARG 64 HD3 ARG 64 -6.425 1.132 -2.744 434 HE ARG 64 HE ARG 64 -6.171 0.836 -0.173 435 HH11 ARG 64 HH11 ARG 64 -7.392 3.628 -1.892 436 HH12 ARG 64 HH12 ARG 64 -8.269 4.248 -0.526 437 HH21 ARG 64 HH21 ARG 64 -7.309 1.642 1.627 438 HH22 ARG 64 HH22 ARG 64 -8.200 3.129 1.494 439 H ARG 65 H ARG 65 -1.276 3.099 -4.641 440 HA ARG 65 HA ARG 65 -1.194 1.880 -7.245 441 HB2 ARG 65 HB2 ARG 65 -1.686 4.227 -7.136 442 HB3 ARG 65 HB3 ARG 65 -0.233 4.543 -6.198 443 HG2 ARG 65 HG2 ARG 65 1.149 3.981 -8.119 444 HG3 ARG 65 HG3 ARG 65 -0.296 3.608 -9.061 445 HD2 ARG 65 HD2 ARG 65 -0.999 5.860 -9.058 446 HD3 ARG 65 HD3 ARG 65 0.150 6.297 -7.797 447 HE ARG 65 HE ARG 65 1.575 5.343 -10.018 448 HH11 ARG 65 HH11 ARG 65 -0.444 8.063 -9.134 449 HH12 ARG 65 HH12 ARG 65 0.388 9.185 -10.164 450 HH21 ARG 65 HH21 ARG 65 2.675 6.808 -11.382 451 HH22 ARG 65 HH22 ARG 65 2.154 8.465 -11.463 452 H LEU 66 H LEU 66 1.114 2.747 -4.741 453 HA LEU 66 HA LEU 66 3.507 2.251 -6.106 454 HB2 LEU 66 HB2 LEU 66 2.991 3.283 -3.763 455 HB3 LEU 66 HB3 LEU 66 3.125 1.636 -3.192 456 HG LEU 66 HG LEU 66 5.355 2.964 -4.715 457 HD11 LEU 66 HD11 LEU 66 6.340 3.565 -2.577 458 HD12 LEU 66 HD12 LEU 66 4.928 2.931 -1.730 459 HD13 LEU 66 HD13 LEU 66 4.768 4.347 -2.767 460 HD21 LEU 66 HD21 LEU 66 5.293 0.678 -2.745 461 HD22 LEU 66 HD22 LEU 66 6.725 1.306 -3.560 462 HD23 LEU 66 HD23 LEU 66 5.450 0.523 -4.493 463 H ILE 67 H ILE 67 1.401 0.124 -4.245 464 HA ILE 67 HA ILE 67 3.084 -2.175 -4.467 465 HB ILE 67 HB ILE 67 0.132 -2.014 -3.819 466 HG12 ILE 67 HG12 ILE 67 2.442 -2.289 -1.891 467 HG13 ILE 67 HG13 ILE 67 1.712 -0.738 -2.296 468 HG21 ILE 67 HG21 ILE 67 0.498 -4.223 -2.780 469 HG22 ILE 67 HG22 ILE 67 2.136 -4.229 -3.426 470 HG23 ILE 67 HG23 ILE 67 0.755 -4.232 -4.522 471 HD11 ILE 67 HD11 ILE 67 0.373 -3.071 -0.945 472 HD12 ILE 67 HD12 ILE 67 -0.454 -1.601 -1.454 473 HD13 ILE 67 HD13 ILE 67 0.802 -1.521 -0.221 474 H GLY 68 H GLY 68 -0.120 -1.456 -5.869 475 HA2 GLY 68 HA2 GLY 68 0.510 -3.419 -7.979 476 HA3 GLY 68 HA3 GLY 68 -1.104 -3.131 -7.352 477 H GLY 69 H GLY 69 -1.502 -0.521 -7.462 478 HA2 GLY 69 HA2 GLY 69 -1.713 1.254 -9.056 479 HA3 GLY 69 HA3 GLY 69 -1.108 0.162 -10.301 480 H ASN 70 H ASN 70 -2.819 -1.952 -9.066 481 HA ASN 70 HA ASN 70 -5.351 -1.306 -10.388 482 HB2 ASN 70 HB2 ASN 70 -4.222 -3.936 -9.371 483 HB3 ASN 70 HB3 ASN 70 -5.760 -3.757 -10.201 484 HD21 ASN 70 HD21 ASN 70 -5.793 -3.434 -12.402 485 HD22 ASN 70 HD22 ASN 70 -4.395 -3.646 -13.393 486 HA PRO 71 HA PRO 71 -7.594 -0.971 -6.550 487 HB2 PRO 71 HB2 PRO 71 -9.708 -2.707 -6.945 488 HB3 PRO 71 HB3 PRO 71 -9.644 -1.046 -7.542 489 HG2 PRO 71 HG2 PRO 71 -9.063 -3.600 -8.976 490 HG3 PRO 71 HG3 PRO 71 -9.908 -2.154 -9.557 491 HD2 PRO 71 HD2 PRO 71 -7.369 -2.668 -10.251 492 HD3 PRO 71 HD3 PRO 71 -7.931 -1.010 -9.959 493 H VAL 72 H VAL 72 -6.206 -1.859 -5.099 494 HA VAL 72 HA VAL 72 -6.822 -4.554 -4.178 495 HB VAL 72 HB VAL 72 -4.792 -4.641 -5.701 496 HG11 VAL 72 HG11 VAL 72 -3.775 -2.525 -5.115 497 HG12 VAL 72 HG12 VAL 72 -2.656 -3.850 -4.795 498 HG13 VAL 72 HG13 VAL 72 -3.516 -3.080 -3.461 499 HG21 VAL 72 HG21 VAL 72 -3.497 -6.084 -4.204 500 HG22 VAL 72 HG22 VAL 72 -5.230 -6.385 -4.069 501 HG23 VAL 72 HG23 VAL 72 -4.398 -5.453 -2.825 502 H ALA 73 H ALA 73 -5.889 -4.858 -1.900 503 HA ALA 73 HA ALA 73 -6.206 -2.254 -0.576 504 HB1 ALA 73 HB1 ALA 73 -7.179 -4.928 0.404 505 HB2 ALA 73 HB2 ALA 73 -8.184 -3.698 -0.364 506 HB3 ALA 73 HB3 ALA 73 -7.421 -3.370 1.194 507 H PHE 74 H PHE 74 -4.724 -1.677 0.855 508 HA PHE 74 HA PHE 74 -2.865 -3.732 1.824 509 HB2 PHE 74 HB2 PHE 74 -1.298 -1.943 2.343 510 HB3 PHE 74 HB3 PHE 74 -1.816 -1.784 0.673 511 HD1 PHE 74 HD1 PHE 74 -2.824 -0.559 4.034 512 HD2 PHE 74 HD2 PHE 74 -2.258 0.358 -0.064 513 HE1 PHE 74 HE1 PHE 74 -3.395 1.781 4.499 514 HE2 PHE 74 HE2 PHE 74 -2.809 2.717 0.393 515 HZ PHE 74 HZ PHE 74 -3.391 3.422 2.680 516 H ARG 75 H ARG 75 -2.302 -3.636 4.145 517 HA ARG 75 HA ARG 75 -4.391 -2.279 5.714 518 HB2 ARG 75 HB2 ARG 75 -3.176 -5.000 6.187 519 HB3 ARG 75 HB3 ARG 75 -4.113 -4.137 7.399 520 HG2 ARG 75 HG2 ARG 75 -6.031 -4.097 5.845 521 HG3 ARG 75 HG3 ARG 75 -5.087 -5.053 4.700 522 HD2 ARG 75 HD2 ARG 75 -5.780 -5.903 7.506 523 HD3 ARG 75 HD3 ARG 75 -6.644 -6.414 6.057 524 HE ARG 75 HE ARG 75 -4.320 -7.286 5.370 525 HH11 ARG 75 HH11 ARG 75 -5.625 -7.284 8.623 526 HH12 ARG 75 HH12 ARG 75 -4.681 -8.645 9.139 527 HH21 ARG 75 HH21 ARG 75 -3.073 -9.082 6.059 528 HH22 ARG 75 HH22 ARG 75 -3.227 -9.658 7.689 529 H LEU 76 H LEU 76 -3.410 -0.554 6.492 530 HA LEU 76 HA LEU 76 -0.690 -0.752 7.522 531 HB2 LEU 76 HB2 LEU 76 -2.552 1.595 7.167 532 HB3 LEU 76 HB3 LEU 76 -0.973 1.716 7.918 533 HG LEU 76 HG LEU 76 -1.576 1.007 5.053 534 HD11 LEU 76 HD11 LEU 76 -1.765 3.363 5.570 535 HD12 LEU 76 HD12 LEU 76 -0.327 3.061 4.596 536 HD13 LEU 76 HD13 LEU 76 -0.173 3.344 6.330 537 HD21 LEU 76 HD21 LEU 76 1.072 1.075 6.491 538 HD22 LEU 76 HD22 LEU 76 0.866 0.968 4.741 539 HD23 LEU 76 HD23 LEU 76 0.293 -0.340 5.779 540 H GLN 77 H GLN 77 -0.305 -1.122 9.575 541 HA GLN 77 HA GLN 77 -2.462 -0.619 11.506 542 HB2 GLN 77 HB2 GLN 77 -0.252 -2.680 11.638 543 HB3 GLN 77 HB3 GLN 77 -1.483 -2.426 12.867 544 HG2 GLN 77 HG2 GLN 77 -3.203 -2.963 11.139 545 HG3 GLN 77 HG3 GLN 77 -1.887 -3.410 10.057 546 HE21 GLN 77 HE21 GLN 77 -0.312 -4.495 12.315 547 HE22 GLN 77 HE22 GLN 77 -1.031 -6.021 12.677 548 HA PRO 78 HA PRO 78 -0.120 2.530 13.444 549 HB2 PRO 78 HB2 PRO 78 -0.994 1.272 15.997 550 HB3 PRO 78 HB3 PRO 78 -1.155 2.945 15.450 551 HG2 PRO 78 HG2 PRO 78 -3.256 1.330 15.430 552 HG3 PRO 78 HG3 PRO 78 -2.978 2.460 14.091 553 HD2 PRO 78 HD2 PRO 78 -2.506 -0.487 14.214 554 HD3 PRO 78 HD3 PRO 78 -3.122 0.504 12.878 555 H GLN 79 H GLN 79 0.586 -0.771 14.049 556 HA GLN 79 HA GLN 79 2.797 -0.457 15.787 557 HB2 GLN 79 HB2 GLN 79 2.281 -2.612 13.727 558 HB3 GLN 79 HB3 GLN 79 3.470 -2.699 15.020 559 HG2 GLN 79 HG2 GLN 79 1.664 -2.574 16.672 560 HG3 GLN 79 HG3 GLN 79 0.484 -2.529 15.363 561 HE21 GLN 79 HE21 GLN 79 -0.512 -4.410 16.012 562 HE22 GLN 79 HE22 GLN 79 0.221 -5.968 15.837 563 H GLY 80 H GLY 80 2.313 0.224 12.467 564 HA2 GLY 80 HA2 GLY 80 3.781 1.601 11.231 565 HA3 GLY 80 HA3 GLY 80 5.106 1.077 12.261 566 H GLN 81 H GLN 81 2.736 -0.872 10.474 567 HA GLN 81 HA GLN 81 4.956 -1.908 8.862 568 HB2 GLN 81 HB2 GLN 81 4.244 -4.175 9.167 569 HB3 GLN 81 HB3 GLN 81 4.476 -3.453 10.749 570 HG2 GLN 81 HG2 GLN 81 2.063 -3.148 10.966 571 HG3 GLN 81 HG3 GLN 81 1.829 -3.874 9.376 572 HE21 GLN 81 HE21 GLN 81 0.612 -5.578 10.136 573 HE22 GLN 81 HE22 GLN 81 1.284 -6.858 11.081 574 H ILE 82 H ILE 82 4.403 -2.753 6.842 575 HA ILE 82 HA ILE 82 1.738 -1.955 5.853 576 HB ILE 82 HB ILE 82 4.273 -2.050 4.212 577 HG12 ILE 82 HG12 ILE 82 2.967 0.383 5.453 578 HG13 ILE 82 HG13 ILE 82 4.465 -0.350 6.014 579 HG21 ILE 82 HG21 ILE 82 1.592 -0.767 3.701 580 HG22 ILE 82 HG22 ILE 82 2.178 -2.261 2.975 581 HG23 ILE 82 HG23 ILE 82 2.982 -0.734 2.615 582 HD11 ILE 82 HD11 ILE 82 4.012 0.910 3.320 583 HD12 ILE 82 HD12 ILE 82 5.514 0.171 3.874 584 HD13 ILE 82 HD13 ILE 82 4.898 1.619 4.670 585 H VAL 83 H VAL 83 0.545 -3.626 5.140 586 HA VAL 83 HA VAL 83 1.913 -5.859 3.830 587 HB VAL 83 HB VAL 83 1.568 -6.600 6.119 588 HG11 VAL 83 HG11 VAL 83 -1.352 -6.039 5.669 589 HG12 VAL 83 HG12 VAL 83 -0.269 -5.169 6.758 590 HG13 VAL 83 HG13 VAL 83 -0.664 -6.858 7.072 591 HG21 VAL 83 HG21 VAL 83 -0.332 -7.925 4.194 592 HG22 VAL 83 HG22 VAL 83 0.271 -8.641 5.690 593 HG23 VAL 83 HG23 VAL 83 1.387 -8.271 4.375 594 H LEU 84 H LEU 84 0.829 -6.729 2.130 595 HA LEU 84 HA LEU 84 -1.466 -5.251 1.156 596 HB2 LEU 84 HB2 LEU 84 0.457 -5.719 -0.307 597 HB3 LEU 84 HB3 LEU 84 0.168 -7.439 -0.129 598 HG LEU 84 HG LEU 84 -2.064 -7.113 -1.200 599 HD11 LEU 84 HD11 LEU 84 -0.999 -4.331 -1.603 600 HD12 LEU 84 HD12 LEU 84 -2.456 -4.806 -0.735 601 HD13 LEU 84 HD13 LEU 84 -2.365 -5.004 -2.485 602 HD21 LEU 84 HD21 LEU 84 0.355 -6.277 -2.795 603 HD22 LEU 84 HD22 LEU 84 -1.171 -6.840 -3.476 604 HD23 LEU 84 HD23 LEU 84 -0.187 -7.928 -2.496 605 H SER 85 H SER 85 -3.416 -6.207 0.483 606 HA SER 85 HA SER 85 -3.868 -8.991 1.275 607 HB2 SER 85 HB2 SER 85 -5.693 -6.671 1.968 608 HB3 SER 85 HB3 SER 85 -6.006 -8.372 2.316 609 HG SER 85 HG SER 85 -3.682 -7.976 3.337 610 H ARG 86 H ARG 86 -5.168 -10.102 -0.124 611 HA ARG 86 HA ARG 86 -5.696 -8.857 -2.663 612 HB2 ARG 86 HB2 ARG 86 -4.918 -11.167 -2.589 613 HB3 ARG 86 HB3 ARG 86 -6.323 -11.636 -1.646 614 HG2 ARG 86 HG2 ARG 86 -6.558 -12.309 -3.967 615 HG3 ARG 86 HG3 ARG 86 -7.779 -11.115 -3.532 616 HD2 ARG 86 HD2 ARG 86 -6.889 -10.605 -5.717 617 HD3 ARG 86 HD3 ARG 86 -6.393 -9.361 -4.572 618 HE ARG 86 HE ARG 86 -4.436 -11.427 -4.834 619 HH11 ARG 86 HH11 ARG 86 -5.679 -8.509 -6.307 620 HH12 ARG 86 HH12 ARG 86 -4.213 -8.160 -7.167 621 HH21 ARG 86 HH21 ARG 86 -2.479 -10.964 -5.941 622 HH22 ARG 86 HH22 ARG 86 -2.380 -9.550 -6.944 623 H LEU 87 H LEU 87 -7.147 -7.245 -1.982 624 HA LEU 87 HA LEU 87 -9.913 -8.185 -1.752 625 HB2 LEU 87 HB2 LEU 87 -8.798 -5.853 -0.199 626 HB3 LEU 87 HB3 LEU 87 -10.413 -6.522 -0.092 627 HG LEU 87 HG LEU 87 -7.983 -8.130 0.665 628 HD11 LEU 87 HD11 LEU 87 -8.408 -7.503 2.984 629 HD12 LEU 87 HD12 LEU 87 -9.653 -6.371 2.453 630 HD13 LEU 87 HD13 LEU 87 -7.968 -6.101 2.008 631 HD21 LEU 87 HD21 LEU 87 -10.067 -9.349 0.260 632 HD22 LEU 87 HD22 LEU 87 -10.891 -8.330 1.437 633 HD23 LEU 87 HD23 LEU 87 -9.599 -9.410 1.959 634 HA PRO 88 HA PRO 88 -10.007 -5.330 -5.230 635 HB2 PRO 88 HB2 PRO 88 -12.884 -5.919 -5.256 636 HB3 PRO 88 HB3 PRO 88 -11.669 -6.229 -6.498 637 HG2 PRO 88 HG2 PRO 88 -12.789 -8.220 -5.078 638 HG3 PRO 88 HG3 PRO 88 -11.101 -8.283 -5.619 639 HD2 PRO 88 HD2 PRO 88 -12.200 -7.601 -2.913 640 HD3 PRO 88 HD3 PRO 88 -10.796 -8.603 -3.341 641 H THR 89 H THR 89 -9.810 -3.272 -4.530 642 HA THR 89 HA THR 89 -11.211 -1.961 -2.546 643 HB THR 89 HB THR 89 -10.213 -0.575 -5.033 644 HG1 THR 89 HG1 THR 89 -8.621 -1.302 -2.785 645 HG21 THR 89 HG21 THR 89 -9.623 1.203 -3.447 646 HG22 THR 89 HG22 THR 89 -10.264 0.234 -2.121 647 HG23 THR 89 HG23 THR 89 -11.346 0.833 -3.379 648 H ALA 90 H ALA 90 -13.274 -1.345 -2.363 649 HA ALA 90 HA ALA 90 -15.132 -1.752 -4.456 650 HB1 ALA 90 HB1 ALA 90 -15.510 -0.309 -1.838 651 HB2 ALA 90 HB2 ALA 90 -15.719 -2.040 -2.101 652 HB3 ALA 90 HB3 ALA 90 -16.794 -0.892 -2.898 653 H ASN 91 H ASN 91 -15.119 -0.501 -6.197 654 HA ASN 91 HA ASN 91 -15.375 2.397 -5.786 655 HB2 ASN 91 HB2 ASN 91 -14.026 2.848 -7.766 656 HB3 ASN 91 HB3 ASN 91 -13.097 1.917 -6.600 657 HD21 ASN 91 HD21 ASN 91 -12.643 -0.270 -7.042 658 HD22 ASN 91 HD22 ASN 91 -12.731 -0.893 -8.655 659 H GLY 92 H GLY 92 -16.047 -0.403 -7.828 660 HA2 GLY 92 HA2 GLY 92 -18.004 1.085 -9.381 661 HA3 GLY 92 HA3 GLY 92 -17.578 -0.609 -9.581 662 H ASP 93 H ASP 93 -17.944 -1.411 -6.902 663 HA ASP 93 HA ASP 93 -20.738 -1.890 -6.870 664 HB2 ASP 93 HB2 ASP 93 -19.225 -3.531 -5.942 665 HB3 ASP 93 HB3 ASP 93 -18.606 -2.364 -4.778 666 H GLY 94 H GLY 94 -18.681 0.467 -5.361 667 HA2 GLY 94 HA2 GLY 94 -19.474 2.536 -4.521 668 HA3 GLY 94 HA3 GLY 94 -21.047 1.798 -4.265 669 H GLY 95 H GLY 95 -19.954 -0.568 -2.890 670 HA2 GLY 95 HA2 GLY 95 -18.295 -0.751 -1.014 671 HA3 GLY 95 HA3 GLY 95 -18.961 0.770 -0.447 672 H ALA 96 H ALA 96 -21.694 -0.318 -1.360 673 HA ALA 96 HA ALA 96 -22.608 -1.049 1.174 674 HB1 ALA 96 HB1 ALA 96 -24.076 -0.136 -0.547 675 HB2 ALA 96 HB2 ALA 96 -24.703 -1.661 0.076 676 HB3 ALA 96 HB3 ALA 96 -23.897 -1.613 -1.491 677 H LEU 97 H LEU 97 -21.951 -2.763 2.246 678 HA LEU 97 HA LEU 97 -21.689 -4.916 2.893 679 HB2 LEU 97 HB2 LEU 97 -23.009 -5.484 0.258 680 HB3 LEU 97 HB3 LEU 97 -22.356 -6.778 1.240 681 HG LEU 97 HG LEU 97 -23.862 -5.956 3.111 682 HD11 LEU 97 HD11 LEU 97 -25.814 -4.646 2.465 683 HD12 LEU 97 HD12 LEU 97 -25.143 -4.435 0.848 684 HD13 LEU 97 HD13 LEU 97 -24.323 -3.730 2.241 685 HD21 LEU 97 HD21 LEU 97 -24.347 -7.959 1.835 686 HD22 LEU 97 HD22 LEU 97 -25.120 -6.994 0.577 687 HD23 LEU 97 HD23 LEU 97 -25.834 -7.081 2.188 688 H ALA 98 H ALA 98 -20.334 -3.751 -0.047 689 HA ALA 98 HA ALA 98 -18.493 -5.839 -0.556 690 HB1 ALA 98 HB1 ALA 98 -19.053 -4.147 -2.230 691 HB2 ALA 98 HB2 ALA 98 -17.314 -4.220 -1.947 692 HB3 ALA 98 HB3 ALA 98 -18.267 -2.912 -1.247 693 H LEU 99 H LEU 99 -18.499 -3.129 1.625 694 HA LEU 99 HA LEU 99 -15.781 -3.049 2.281 695 HB2 LEU 99 HB2 LEU 99 -18.156 -2.468 4.049 696 HB3 LEU 99 HB3 LEU 99 -16.501 -2.003 4.392 697 HG LEU 99 HG LEU 99 -18.198 -0.994 2.106 698 HD11 LEU 99 HD11 LEU 99 -18.078 1.139 3.272 699 HD12 LEU 99 HD12 LEU 99 -17.164 0.386 4.578 700 HD13 LEU 99 HD13 LEU 99 -18.835 -0.092 4.281 701 HD21 LEU 99 HD21 LEU 99 -15.885 -1.141 1.408 702 HD22 LEU 99 HD22 LEU 99 -15.359 -0.325 2.880 703 HD23 LEU 99 HD23 LEU 99 -16.319 0.547 1.684 704 H ASP 100 H ASP 100 -18.359 -5.182 3.320 705 HA ASP 100 HA ASP 100 -16.878 -6.423 5.425 706 HB2 ASP 100 HB2 ASP 100 -19.315 -6.565 5.401 707 HB3 ASP 100 HB3 ASP 100 -19.274 -7.413 3.858 708 H SER 101 H SER 101 -17.368 -7.035 1.997 709 HA SER 101 HA SER 101 -15.997 -9.501 1.871 710 HB2 SER 101 HB2 SER 101 -16.259 -7.400 -0.297 711 HB3 SER 101 HB3 SER 101 -15.915 -9.115 -0.530 712 HG SER 101 HG SER 101 -18.162 -8.750 0.947 713 H LEU 102 H LEU 102 -14.956 -6.255 2.218 714 HA LEU 102 HA LEU 102 -12.251 -6.705 1.334 715 HB2 LEU 102 HB2 LEU 102 -13.468 -4.388 2.835 716 HB3 LEU 102 HB3 LEU 102 -11.839 -4.426 2.186 717 HG LEU 102 HG LEU 102 -14.398 -4.492 0.586 718 HD11 LEU 102 HD11 LEU 102 -12.262 -2.382 0.836 719 HD12 LEU 102 HD12 LEU 102 -13.877 -2.305 1.537 720 HD13 LEU 102 HD13 LEU 102 -13.676 -2.309 -0.215 721 HD21 LEU 102 HD21 LEU 102 -12.685 -5.851 -0.478 722 HD22 LEU 102 HD22 LEU 102 -11.527 -4.528 -0.337 723 HD23 LEU 102 HD23 LEU 102 -12.940 -4.356 -1.378 724 H THR 103 H THR 103 -13.777 -7.909 3.893 725 HA THR 103 HA THR 103 -11.315 -7.798 5.510 726 HB THR 103 HB THR 103 -12.648 -8.272 7.507 727 HG1 THR 103 HG1 THR 103 -14.799 -8.249 5.648 728 HG21 THR 103 HG21 THR 103 -13.786 -6.103 7.697 729 HG22 THR 103 HG22 THR 103 -13.644 -5.887 5.954 730 HG23 THR 103 HG23 THR 103 -12.194 -5.948 6.957 731 H VAL 104 H VAL 104 -13.035 -9.647 3.459 732 HA VAL 104 HA VAL 104 -12.833 -12.154 4.922 733 HB VAL 104 HB VAL 104 -13.928 -11.618 2.155 734 HG11 VAL 104 HG11 VAL 104 -14.112 -14.075 3.893 735 HG12 VAL 104 HG12 VAL 104 -13.176 -13.917 2.407 736 HG13 VAL 104 HG13 VAL 104 -14.938 -13.840 2.353 737 HG21 VAL 104 HG21 VAL 104 -15.240 -10.505 3.871 738 HG22 VAL 104 HG22 VAL 104 -15.352 -12.010 4.786 739 HG23 VAL 104 HG23 VAL 104 -16.129 -11.876 3.207 740 H LEU 105 H LEU 105 -10.812 -12.860 4.998 741 HA LEU 105 HA LEU 105 -8.879 -13.849 4.377 742 HB2 LEU 105 HB2 LEU 105 -10.386 -15.271 3.060 743 HB3 LEU 105 HB3 LEU 105 -10.262 -14.156 1.713 744 HG LEU 105 HG LEU 105 -7.840 -14.662 1.553 745 HD11 LEU 105 HD11 LEU 105 -6.958 -16.615 2.748 746 HD12 LEU 105 HD12 LEU 105 -8.458 -16.716 3.671 747 HD13 LEU 105 HD13 LEU 105 -7.407 -15.310 3.846 748 HD21 LEU 105 HD21 LEU 105 -8.103 -16.899 0.605 749 HD22 LEU 105 HD22 LEU 105 -9.443 -15.845 0.152 750 HD23 LEU 105 HD23 LEU 105 -9.663 -17.058 1.412 751 H GLY 106 H GLY 106 -7.611 -12.005 4.608 752 HA2 GLY 106 HA2 GLY 106 -7.184 -10.226 2.382 753 HA3 GLY 106 HA3 GLY 106 -6.313 -10.216 3.909 754 H ALA 107 H ALA 107 -5.633 -13.043 3.719 755 HA ALA 107 HA ALA 107 -3.128 -12.832 2.497 756 HB1 ALA 107 HB1 ALA 107 -4.629 -15.350 3.190 757 HB2 ALA 107 HB2 ALA 107 -3.652 -14.403 4.311 758 HB3 ALA 107 HB3 ALA 107 -2.891 -15.200 2.936 759 H GLY 108 H GLY 108 -2.375 -13.275 0.517 760 HA2 GLY 108 HA2 GLY 108 -3.259 -15.034 -1.369 761 HA3 GLY 108 HA3 GLY 108 -4.265 -13.614 -1.622 762 H GLY 109 H GLY 109 -2.026 -11.848 -0.724 763 HA2 GLY 109 HA2 GLY 109 0.048 -12.242 -2.700 764 HA3 GLY 109 HA3 GLY 109 -1.042 -10.908 -3.050 765 H ASN 110 H ASN 110 1.890 -11.177 -2.174 766 HA ASN 110 HA ASN 110 1.734 -9.432 0.192 767 HB2 ASN 110 HB2 ASN 110 3.919 -10.129 0.815 768 HB3 ASN 110 HB3 ASN 110 3.066 -11.596 0.356 769 HD21 ASN 110 HD21 ASN 110 5.716 -9.530 -0.285 770 HD22 ASN 110 HD22 ASN 110 6.407 -10.438 -1.583 771 H ASN 111 H ASN 111 3.074 -7.574 0.279 772 HA ASN 111 HA ASN 111 3.809 -6.552 -2.376 773 HB2 ASN 111 HB2 ASN 111 3.473 -4.280 -1.393 774 HB3 ASN 111 HB3 ASN 111 2.009 -5.247 -1.468 775 HD21 ASN 111 HD21 ASN 111 2.501 -2.973 0.154 776 HD22 ASN 111 HD22 ASN 111 2.359 -3.457 1.800 777 H ALA 112 H ALA 112 5.724 -7.984 -1.628 778 HA ALA 112 HA ALA 112 7.767 -6.217 -0.554 779 HB1 ALA 112 HB1 ALA 112 7.233 -8.946 0.613 780 HB2 ALA 112 HB2 ALA 112 6.874 -7.409 1.398 781 HB3 ALA 112 HB3 ALA 112 8.544 -7.859 1.063 Start of MODEL 19 1 H1 SER 6 H1 SER 6 -10.561 18.610 9.181 2 H2 SER 6 H2 SER 6 -11.980 17.693 9.251 3 H3 SER 6 H3 SER 6 -11.209 17.945 7.771 4 HA SER 6 HA SER 6 -10.001 16.498 10.037 5 HB2 SER 6 HB2 SER 6 -11.285 15.377 7.533 6 HB3 SER 6 HB3 SER 6 -10.511 14.443 8.814 7 HG SER 6 HG SER 6 -12.171 14.834 10.137 8 H MET 7 H MET 7 -7.871 16.257 9.803 9 HA MET 7 HA MET 7 -6.731 16.634 7.112 10 HB2 MET 7 HB2 MET 7 -6.135 18.434 8.706 11 HB3 MET 7 HB3 MET 7 -5.425 17.232 9.774 12 HG2 MET 7 HG2 MET 7 -3.821 16.645 7.994 13 HG3 MET 7 HG3 MET 7 -4.501 17.927 6.995 14 HE1 MET 7 HE1 MET 7 -5.077 20.185 9.208 15 HE2 MET 7 HE2 MET 7 -4.370 20.516 7.626 16 HE3 MET 7 HE3 MET 7 -3.593 21.129 9.085 17 H ALA 8 H ALA 8 -5.942 15.141 10.261 18 HA ALA 8 HA ALA 8 -4.131 13.274 9.072 19 HB1 ALA 8 HB1 ALA 8 -3.847 14.123 11.362 20 HB2 ALA 8 HB2 ALA 8 -3.901 12.362 11.307 21 HB3 ALA 8 HB3 ALA 8 -5.312 13.269 11.847 22 H GLN 9 H GLN 9 -7.468 13.139 10.190 23 HA GLN 9 HA GLN 9 -7.655 10.290 9.680 24 HB2 GLN 9 HB2 GLN 9 -9.705 12.326 10.558 25 HB3 GLN 9 HB3 GLN 9 -10.051 10.617 10.337 26 HG2 GLN 9 HG2 GLN 9 -8.036 11.748 12.263 27 HG3 GLN 9 HG3 GLN 9 -9.656 11.192 12.681 28 HE21 GLN 9 HE21 GLN 9 -6.992 10.267 13.539 29 HE22 GLN 9 HE22 GLN 9 -6.968 8.574 13.191 30 H ALA 10 H ALA 10 -7.636 12.925 7.772 31 HA ALA 10 HA ALA 10 -9.653 11.903 5.900 32 HB1 ALA 10 HB1 ALA 10 -9.488 14.050 4.776 33 HB2 ALA 10 HB2 ALA 10 -8.191 14.542 5.864 34 HB3 ALA 10 HB3 ALA 10 -9.818 14.284 6.491 35 H ALA 11 H ALA 11 -6.894 10.876 6.497 36 HA ALA 11 HA ALA 11 -5.169 9.910 5.407 37 HB1 ALA 11 HB1 ALA 11 -6.880 9.179 3.796 38 HB2 ALA 11 HB2 ALA 11 -5.323 9.482 3.025 39 HB3 ALA 11 HB3 ALA 11 -6.626 10.662 2.873 40 H GLN 12 H GLN 12 -3.430 11.064 5.849 41 HA GLN 12 HA GLN 12 -3.142 13.809 5.275 42 HB2 GLN 12 HB2 GLN 12 -0.798 13.483 6.081 43 HB3 GLN 12 HB3 GLN 12 -2.034 12.894 7.186 44 HG2 GLN 12 HG2 GLN 12 -1.632 10.613 6.453 45 HG3 GLN 12 HG3 GLN 12 -0.441 11.183 5.286 46 HE21 GLN 12 HE21 GLN 12 1.193 9.979 6.177 47 HE22 GLN 12 HE22 GLN 12 1.922 10.364 7.696 48 H GLN 13 H GLN 13 -2.546 14.799 3.486 49 HA GLN 13 HA GLN 13 -1.533 13.271 1.250 50 HB2 GLN 13 HB2 GLN 13 -3.277 14.934 0.871 51 HB3 GLN 13 HB3 GLN 13 -2.240 16.197 1.522 52 HG2 GLN 13 HG2 GLN 13 -0.690 15.903 -0.321 53 HG3 GLN 13 HG3 GLN 13 -1.679 14.593 -0.963 54 HE21 GLN 13 HE21 GLN 13 -3.034 17.471 0.462 55 HE22 GLN 13 HE22 GLN 13 -3.671 18.133 -1.002 56 H LYS 14 H LYS 14 0.565 12.893 1.054 57 HA LYS 14 HA LYS 14 2.463 15.020 1.817 58 HB2 LYS 14 HB2 LYS 14 2.917 12.033 1.994 59 HB3 LYS 14 HB3 LYS 14 4.073 13.280 2.431 60 HG2 LYS 14 HG2 LYS 14 1.439 12.765 3.804 61 HG3 LYS 14 HG3 LYS 14 3.026 12.271 4.393 62 HD2 LYS 14 HD2 LYS 14 2.150 15.121 3.924 63 HD3 LYS 14 HD3 LYS 14 2.199 14.316 5.492 64 HE2 LYS 14 HE2 LYS 14 4.570 14.783 3.691 65 HE3 LYS 14 HE3 LYS 14 4.164 15.742 5.108 66 HZ1 LYS 14 HZ1 LYS 14 4.406 13.716 6.453 67 HZ2 LYS 14 HZ2 LYS 14 5.840 14.149 5.673 68 HZ3 LYS 14 HZ3 LYS 14 4.907 12.869 5.078 69 H ASN 15 H ASN 15 4.503 14.939 0.585 70 HA ASN 15 HA ASN 15 3.993 14.183 -2.196 71 HB2 ASN 15 HB2 ASN 15 4.713 16.497 -1.771 72 HB3 ASN 15 HB3 ASN 15 6.177 15.906 -0.996 73 HD21 ASN 15 HD21 ASN 15 4.702 14.598 -3.923 74 HD22 ASN 15 HD22 ASN 15 6.003 15.024 -4.980 75 H PHE 16 H PHE 16 4.884 12.426 -3.040 76 HA PHE 16 HA PHE 16 7.305 11.326 -1.780 77 HB2 PHE 16 HB2 PHE 16 4.876 9.804 -2.743 78 HB3 PHE 16 HB3 PHE 16 6.397 9.050 -2.282 79 HD1 PHE 16 HD1 PHE 16 7.225 9.460 0.089 80 HD2 PHE 16 HD2 PHE 16 3.239 10.193 -1.164 81 HE1 PHE 16 HE1 PHE 16 6.481 9.365 2.437 82 HE2 PHE 16 HE2 PHE 16 2.473 10.097 1.172 83 HZ PHE 16 HZ PHE 16 4.099 9.685 2.981 84 H ASN 17 H ASN 17 8.820 10.472 -3.145 85 HA ASN 17 HA ASN 17 8.171 10.141 -5.966 86 HB2 ASN 17 HB2 ASN 17 9.036 12.445 -5.806 87 HB3 ASN 17 HB3 ASN 17 10.494 11.841 -5.028 88 HD21 ASN 17 HD21 ASN 17 8.896 10.159 -7.653 89 HD22 ASN 17 HD22 ASN 17 10.136 10.434 -8.828 90 H ILE 18 H ILE 18 8.428 7.984 -5.785 91 HA ILE 18 HA ILE 18 11.030 6.977 -4.829 92 HB ILE 18 HB ILE 18 8.518 5.328 -5.100 93 HG12 ILE 18 HG12 ILE 18 8.073 7.218 -3.553 94 HG13 ILE 18 HG13 ILE 18 8.053 5.660 -2.743 95 HG21 ILE 18 HG21 ILE 18 10.600 4.092 -4.960 96 HG22 ILE 18 HG22 ILE 18 9.650 3.863 -3.492 97 HG23 ILE 18 HG23 ILE 18 11.035 4.955 -3.485 98 HD11 ILE 18 HD11 ILE 18 9.153 7.348 -1.398 99 HD12 ILE 18 HD12 ILE 18 10.313 7.643 -2.694 100 HD13 ILE 18 HD13 ILE 18 10.291 6.083 -1.869 101 H ALA 19 H ALA 19 12.307 6.037 -6.319 102 HA ALA 19 HA ALA 19 11.427 5.652 -9.027 103 HB1 ALA 19 HB1 ALA 19 13.724 6.324 -8.548 104 HB2 ALA 19 HB2 ALA 19 13.696 4.775 -9.391 105 HB3 ALA 19 HB3 ALA 19 13.987 4.828 -7.653 106 H ALA 20 H ALA 20 11.586 3.501 -10.131 107 HA ALA 20 HA ALA 20 10.074 1.593 -8.658 108 HB1 ALA 20 HB1 ALA 20 9.825 1.881 -11.080 109 HB2 ALA 20 HB2 ALA 20 10.218 0.214 -10.661 110 HB3 ALA 20 HB3 ALA 20 11.464 1.275 -11.317 111 H GLN 21 H GLN 21 11.064 0.726 -6.982 112 HA GLN 21 HA GLN 21 13.667 -0.587 -7.327 113 HB2 GLN 21 HB2 GLN 21 12.174 0.103 -4.786 114 HB3 GLN 21 HB3 GLN 21 13.811 -0.529 -4.892 115 HG2 GLN 21 HG2 GLN 21 14.581 1.488 -5.938 116 HG3 GLN 21 HG3 GLN 21 12.935 2.114 -6.027 117 HE21 GLN 21 HE21 GLN 21 13.412 3.933 -4.845 118 HE22 GLN 21 HE22 GLN 21 13.737 3.888 -3.147 119 HA PRO 22 HA PRO 22 11.797 -4.681 -6.393 120 HB2 PRO 22 HB2 PRO 22 13.564 -4.716 -3.991 121 HB3 PRO 22 HB3 PRO 22 13.342 -5.951 -5.236 122 HG2 PRO 22 HG2 PRO 22 15.545 -4.463 -5.196 123 HG3 PRO 22 HG3 PRO 22 14.768 -4.889 -6.733 124 HD2 PRO 22 HD2 PRO 22 14.717 -2.302 -5.234 125 HD3 PRO 22 HD3 PRO 22 14.789 -2.590 -6.985 126 H LEU 23 H LEU 23 9.934 -5.026 -5.292 127 HA LEU 23 HA LEU 23 8.674 -2.867 -4.153 128 HB2 LEU 23 HB2 LEU 23 7.555 -4.824 -5.138 129 HB3 LEU 23 HB3 LEU 23 7.967 -5.758 -3.714 130 HG LEU 23 HG LEU 23 6.590 -4.235 -2.337 131 HD11 LEU 23 HD11 LEU 23 5.855 -3.017 -4.998 132 HD12 LEU 23 HD12 LEU 23 6.740 -2.228 -3.691 133 HD13 LEU 23 HD13 LEU 23 5.053 -2.684 -3.463 134 HD21 LEU 23 HD21 LEU 23 5.141 -5.464 -4.680 135 HD22 LEU 23 HD22 LEU 23 4.432 -5.049 -3.119 136 HD23 LEU 23 HD23 LEU 23 5.657 -6.313 -3.223 137 H GLN 24 H GLN 24 10.194 -5.564 -2.396 138 HA GLN 24 HA GLN 24 9.241 -4.767 0.140 139 HB2 GLN 24 HB2 GLN 24 11.567 -6.501 -0.659 140 HB3 GLN 24 HB3 GLN 24 11.109 -6.225 1.015 141 HG2 GLN 24 HG2 GLN 24 8.895 -7.169 0.554 142 HG3 GLN 24 HG3 GLN 24 9.383 -7.473 -1.111 143 HE21 GLN 24 HE21 GLN 24 11.568 -7.863 1.575 144 HE22 GLN 24 HE22 GLN 24 11.655 -9.587 1.504 145 H SER 25 H SER 25 12.121 -3.868 -1.675 146 HA SER 25 HA SER 25 13.177 -2.354 0.561 147 HB2 SER 25 HB2 SER 25 14.117 -2.513 -2.314 148 HB3 SER 25 HB3 SER 25 14.989 -1.743 -0.986 149 HG SER 25 HG SER 25 15.278 -3.718 -0.029 150 H ALA 26 H ALA 26 11.236 -1.869 -2.250 151 HA ALA 26 HA ALA 26 11.438 0.888 -2.619 152 HB1 ALA 26 HB1 ALA 26 8.993 -0.849 -2.955 153 HB2 ALA 26 HB2 ALA 26 10.272 -0.642 -4.154 154 HB3 ALA 26 HB3 ALA 26 9.262 0.730 -3.697 155 H MET 27 H MET 27 9.025 -0.923 -0.714 156 HA MET 27 HA MET 27 7.927 1.427 0.475 157 HB2 MET 27 HB2 MET 27 7.793 -1.376 1.566 158 HB3 MET 27 HB3 MET 27 6.724 -0.044 1.955 159 HG2 MET 27 HG2 MET 27 5.835 -0.092 -0.316 160 HG3 MET 27 HG3 MET 27 6.924 -1.426 -0.709 161 HE1 MET 27 HE1 MET 27 4.983 -2.994 -1.490 162 HE2 MET 27 HE2 MET 27 3.816 -1.705 -1.197 163 HE3 MET 27 HE3 MET 27 3.530 -3.319 -0.547 164 H LEU 28 H LEU 28 10.632 -0.624 1.251 165 HA LEU 28 HA LEU 28 10.923 0.153 3.933 166 HB2 LEU 28 HB2 LEU 28 12.201 -1.673 2.802 167 HB3 LEU 28 HB3 LEU 28 13.134 -0.455 1.958 168 HG LEU 28 HG LEU 28 13.079 -0.535 4.965 169 HD11 LEU 28 HD11 LEU 28 15.087 -1.935 4.894 170 HD12 LEU 28 HD12 LEU 28 14.900 -2.114 3.150 171 HD13 LEU 28 HD13 LEU 28 13.684 -2.779 4.242 172 HD21 LEU 28 HD21 LEU 28 15.286 0.490 4.716 173 HD22 LEU 28 HD22 LEU 28 14.046 1.439 3.897 174 HD23 LEU 28 HD23 LEU 28 15.130 0.409 2.961 175 H ARG 29 H ARG 29 12.152 1.573 0.920 176 HA ARG 29 HA ARG 29 13.391 3.799 2.198 177 HB2 ARG 29 HB2 ARG 29 12.552 3.395 -0.678 178 HB3 ARG 29 HB3 ARG 29 13.554 4.719 -0.103 179 HG2 ARG 29 HG2 ARG 29 14.264 1.800 0.097 180 HG3 ARG 29 HG3 ARG 29 14.871 2.922 -1.125 181 HD2 ARG 29 HD2 ARG 29 15.965 4.243 0.545 182 HD3 ARG 29 HD3 ARG 29 15.209 3.324 1.841 183 HE ARG 29 HE ARG 29 16.956 1.872 0.017 184 HH11 ARG 29 HH11 ARG 29 16.462 3.384 3.140 185 HH12 ARG 29 HH12 ARG 29 17.833 2.601 3.872 186 HH21 ARG 29 HH21 ARG 29 18.744 0.829 0.983 187 HH22 ARG 29 HH22 ARG 29 19.125 1.142 2.645 188 H PHE 30 H PHE 30 10.307 3.361 0.521 189 HA PHE 30 HA PHE 30 9.408 6.019 0.742 190 HB2 PHE 30 HB2 PHE 30 8.152 4.802 -0.763 191 HB3 PHE 30 HB3 PHE 30 8.120 3.370 0.256 192 HD1 PHE 30 HD2 PHE 30 6.708 6.781 -0.086 193 HD2 PHE 30 HD1 PHE 30 6.293 2.911 1.619 194 HE1 PHE 30 HE2 PHE 30 4.450 7.370 0.685 195 HE2 PHE 30 HE1 PHE 30 4.042 3.494 2.404 196 HZ PHE 30 HZ PHE 30 3.114 5.725 1.936 197 H ALA 31 H ALA 31 8.733 3.189 2.772 198 HA ALA 31 HA ALA 31 7.118 4.677 4.582 199 HB1 ALA 31 HB1 ALA 31 7.073 2.622 5.918 200 HB2 ALA 31 HB2 ALA 31 8.269 1.910 4.837 201 HB3 ALA 31 HB3 ALA 31 6.671 2.337 4.225 202 H GLU 32 H GLU 32 10.511 4.125 4.303 203 HA GLU 32 HA GLU 32 11.392 4.672 6.881 204 HB2 GLU 32 HB2 GLU 32 12.434 5.419 4.187 205 HB3 GLU 32 HB3 GLU 32 13.115 6.242 5.581 206 HG2 GLU 32 HG2 GLU 32 13.659 4.020 6.550 207 HG3 GLU 32 HG3 GLU 32 13.111 3.282 5.045 208 H GLN 33 H GLN 33 9.950 6.833 4.518 209 HA GLN 33 HA GLN 33 10.253 9.130 6.280 210 HB2 GLN 33 HB2 GLN 33 8.986 8.905 3.544 211 HB3 GLN 33 HB3 GLN 33 9.265 10.403 4.420 212 HG2 GLN 33 HG2 GLN 33 11.380 8.507 3.426 213 HG3 GLN 33 HG3 GLN 33 10.956 10.064 2.719 214 HE21 GLN 33 HE21 GLN 33 10.611 11.375 5.293 215 HE22 GLN 33 HE22 GLN 33 12.201 11.604 5.934 216 H ALA 34 H ALA 34 7.987 6.677 5.729 217 HA ALA 34 HA ALA 34 5.744 8.336 6.635 218 HB1 ALA 34 HB1 ALA 34 5.463 6.899 4.622 219 HB2 ALA 34 HB2 ALA 34 4.291 6.583 5.901 220 HB3 ALA 34 HB3 ALA 34 5.649 5.487 5.663 221 H GLY 35 H GLY 35 8.013 6.122 7.836 222 HA2 GLY 35 HA2 GLY 35 8.342 5.664 10.111 223 HA3 GLY 35 HA3 GLY 35 6.685 6.150 10.429 224 H MET 36 H MET 36 7.727 3.788 8.010 225 HA MET 36 HA MET 36 6.693 1.597 9.636 226 HB2 MET 36 HB2 MET 36 5.458 2.467 7.024 227 HB3 MET 36 HB3 MET 36 5.254 0.846 7.668 228 HG2 MET 36 HG2 MET 36 4.149 1.713 9.622 229 HG3 MET 36 HG3 MET 36 4.460 3.368 9.106 230 HE1 MET 36 HE1 MET 36 3.268 4.559 7.122 231 HE2 MET 36 HE2 MET 36 2.141 3.772 6.019 232 HE3 MET 36 HE3 MET 36 3.844 3.321 6.007 233 H GLN 37 H GLN 37 6.813 -0.516 8.293 234 HA GLN 37 HA GLN 37 8.845 -0.556 6.217 235 HB2 GLN 37 HB2 GLN 37 9.243 -1.673 8.952 236 HB3 GLN 37 HB3 GLN 37 9.819 -2.626 7.592 237 HG2 GLN 37 HG2 GLN 37 11.186 -0.753 6.842 238 HG3 GLN 37 HG3 GLN 37 10.597 0.219 8.193 239 HE21 GLN 37 HE21 GLN 37 11.300 -0.244 10.271 240 HE22 GLN 37 HE22 GLN 37 12.691 -1.223 10.577 241 H VAL 38 H VAL 38 9.005 -2.809 5.269 242 HA VAL 38 HA VAL 38 6.323 -3.683 4.765 243 HB VAL 38 HB VAL 38 7.310 -5.238 3.158 244 HG11 VAL 38 HG11 VAL 38 6.935 -2.950 2.455 245 HG12 VAL 38 HG12 VAL 38 8.368 -3.612 1.669 246 HG13 VAL 38 HG13 VAL 38 8.540 -2.498 3.026 247 HG21 VAL 38 HG21 VAL 38 9.303 -5.880 4.406 248 HG22 VAL 38 HG22 VAL 38 9.975 -4.267 4.173 249 HG23 VAL 38 HG23 VAL 38 9.722 -5.326 2.785 250 H PHE 39 H PHE 39 5.369 -5.605 5.260 251 HA PHE 39 HA PHE 39 6.903 -7.635 6.681 252 HB2 PHE 39 HB2 PHE 39 5.865 -6.101 8.392 253 HB3 PHE 39 HB3 PHE 39 4.290 -6.580 7.767 254 HD1 PHE 39 HD2 PHE 39 3.423 -8.826 8.162 255 HD2 PHE 39 HD1 PHE 39 7.198 -7.607 9.702 256 HE1 PHE 39 HE2 PHE 39 3.435 -10.771 9.668 257 HE2 PHE 39 HE1 PHE 39 7.216 -9.550 11.207 258 HZ PHE 39 HZ PHE 39 5.332 -11.134 11.194 259 H PHE 40 H PHE 40 6.519 -9.463 5.671 260 HA PHE 40 HA PHE 40 3.769 -10.086 4.867 261 HB2 PHE 40 HB2 PHE 40 6.242 -10.584 3.184 262 HB3 PHE 40 HB3 PHE 40 4.642 -11.220 2.829 263 HD1 PHE 40 HD1 PHE 40 6.679 -8.157 3.003 264 HD2 PHE 40 HD2 PHE 40 2.965 -9.870 1.826 265 HE1 PHE 40 HE1 PHE 40 6.155 -6.126 1.718 266 HE2 PHE 40 HE2 PHE 40 2.431 -7.837 0.545 267 HZ PHE 40 HZ PHE 40 4.026 -5.962 0.491 268 H ASP 41 H ASP 41 3.607 -12.534 4.430 269 HA ASP 41 HA ASP 41 4.574 -13.923 6.701 270 HB2 ASP 41 HB2 ASP 41 3.527 -15.885 5.752 271 HB3 ASP 41 HB3 ASP 41 2.467 -14.504 5.500 272 H GLU 42 H GLU 42 6.035 -15.711 6.742 273 HA GLU 42 HA GLU 42 8.454 -15.044 5.409 274 HB2 GLU 42 HB2 GLU 42 7.764 -17.428 7.125 275 HB3 GLU 42 HB3 GLU 42 9.383 -17.019 6.584 276 HG2 GLU 42 HG2 GLU 42 9.210 -14.878 7.795 277 HG3 GLU 42 HG3 GLU 42 7.634 -15.385 8.402 278 H VAL 43 H VAL 43 8.135 -15.281 3.231 279 HA VAL 43 HA VAL 43 8.560 -17.989 2.281 280 HB VAL 43 HB VAL 43 6.116 -17.696 2.089 281 HG11 VAL 43 HG11 VAL 43 5.175 -16.056 0.536 282 HG12 VAL 43 HG12 VAL 43 6.782 -15.377 0.282 283 HG13 VAL 43 HG13 VAL 43 6.023 -15.273 1.870 284 HG21 VAL 43 HG21 VAL 43 7.250 -19.100 0.469 285 HG22 VAL 43 HG22 VAL 43 7.558 -17.700 -0.559 286 HG23 VAL 43 HG23 VAL 43 5.904 -18.252 -0.294 287 H LYS 44 H LYS 44 9.977 -18.033 0.592 288 HA LYS 44 HA LYS 44 11.230 -15.520 -0.107 289 HB2 LYS 44 HB2 LYS 44 12.578 -17.539 0.393 290 HB3 LYS 44 HB3 LYS 44 11.884 -18.328 -1.016 291 HG2 LYS 44 HG2 LYS 44 12.844 -16.489 -2.413 292 HG3 LYS 44 HG3 LYS 44 13.682 -15.919 -0.970 293 HD2 LYS 44 HD2 LYS 44 15.193 -17.280 -2.234 294 HD3 LYS 44 HD3 LYS 44 14.741 -18.164 -0.776 295 HE2 LYS 44 HE2 LYS 44 13.113 -19.456 -2.069 296 HE3 LYS 44 HE3 LYS 44 13.552 -18.563 -3.522 297 HZ1 LYS 44 HZ1 LYS 44 14.667 -20.675 -3.481 298 HZ2 LYS 44 HZ2 LYS 44 15.323 -20.356 -1.958 299 HZ3 LYS 44 HZ3 LYS 44 15.815 -19.446 -3.293 300 H LEU 45 H LEU 45 9.683 -14.477 -1.376 301 HA LEU 45 HA LEU 45 9.348 -15.669 -4.045 302 HB2 LEU 45 HB2 LEU 45 7.222 -15.575 -2.778 303 HB3 LEU 45 HB3 LEU 45 7.410 -13.839 -2.626 304 HG LEU 45 HG LEU 45 7.261 -13.620 -5.082 305 HD11 LEU 45 HD11 LEU 45 6.721 -16.585 -4.998 306 HD12 LEU 45 HD12 LEU 45 8.109 -15.792 -5.741 307 HD13 LEU 45 HD13 LEU 45 6.495 -15.546 -6.405 308 HD21 LEU 45 HD21 LEU 45 4.873 -14.130 -5.263 309 HD22 LEU 45 HD22 LEU 45 5.263 -13.368 -3.720 310 HD23 LEU 45 HD23 LEU 45 4.975 -15.106 -3.799 311 H ASP 46 H ASP 46 10.621 -14.640 -5.407 312 HA ASP 46 HA ASP 46 11.124 -11.770 -4.993 313 HB2 ASP 46 HB2 ASP 46 13.099 -13.311 -4.967 314 HB3 ASP 46 HB3 ASP 46 12.739 -13.735 -6.636 315 H GLY 47 H GLY 47 11.380 -10.465 -7.005 316 HA2 GLY 47 HA2 GLY 47 10.894 -10.271 -9.382 317 HA3 GLY 47 HA3 GLY 47 9.623 -11.465 -9.158 318 H MET 48 H MET 48 10.038 -9.051 -6.754 319 HA MET 48 HA MET 48 7.477 -7.870 -7.543 320 HB2 MET 48 HB2 MET 48 8.996 -7.686 -4.934 321 HB3 MET 48 HB3 MET 48 7.416 -6.984 -5.245 322 HG2 MET 48 HG2 MET 48 6.463 -9.191 -5.538 323 HG3 MET 48 HG3 MET 48 8.050 -9.925 -5.308 324 HE1 MET 48 HE1 MET 48 7.019 -11.504 -3.427 325 HE2 MET 48 HE2 MET 48 5.440 -10.752 -3.655 326 HE3 MET 48 HE3 MET 48 6.118 -10.904 -2.034 327 H GLN 49 H GLN 49 7.502 -5.989 -8.558 328 HA GLN 49 HA GLN 49 9.744 -4.139 -8.075 329 HB2 GLN 49 HB2 GLN 49 9.951 -5.181 -10.285 330 HB3 GLN 49 HB3 GLN 49 8.310 -4.698 -10.683 331 HG2 GLN 49 HG2 GLN 49 9.523 -3.090 -11.763 332 HG3 GLN 49 HG3 GLN 49 9.196 -2.295 -10.228 333 HE21 GLN 49 HE21 GLN 49 11.209 -4.032 -8.861 334 HE22 GLN 49 HE22 GLN 49 12.737 -3.367 -9.308 335 H ALA 50 H ALA 50 9.221 -2.062 -7.670 336 HA ALA 50 HA ALA 50 6.427 -1.389 -7.311 337 HB1 ALA 50 HB1 ALA 50 8.074 -0.712 -5.634 338 HB2 ALA 50 HB2 ALA 50 7.289 0.695 -6.353 339 HB3 ALA 50 HB3 ALA 50 8.922 0.249 -6.847 340 H ALA 51 H ALA 51 5.582 0.688 -8.156 341 HA ALA 51 HA ALA 51 6.380 1.029 -10.955 342 HB1 ALA 51 HB1 ALA 51 4.220 2.141 -11.232 343 HB2 ALA 51 HB2 ALA 51 3.910 1.975 -9.504 344 HB3 ALA 51 HB3 ALA 51 4.028 0.539 -10.521 345 H ALA 52 H ALA 52 6.201 3.302 -11.813 346 HA ALA 52 HA ALA 52 7.995 5.017 -10.514 347 HB1 ALA 52 HB1 ALA 52 7.390 6.658 -12.219 348 HB2 ALA 52 HB2 ALA 52 5.993 5.680 -12.670 349 HB3 ALA 52 HB3 ALA 52 7.624 5.061 -12.927 350 H LEU 53 H LEU 53 7.637 5.976 -8.655 351 HA LEU 53 HA LEU 53 4.919 6.845 -7.964 352 HB2 LEU 53 HB2 LEU 53 6.274 5.168 -6.565 353 HB3 LEU 53 HB3 LEU 53 7.274 6.526 -6.110 354 HG LEU 53 HG LEU 53 5.648 5.968 -4.375 355 HD11 LEU 53 HD11 LEU 53 5.085 8.609 -5.697 356 HD12 LEU 53 HD12 LEU 53 6.358 8.271 -4.525 357 HD13 LEU 53 HD13 LEU 53 4.665 8.179 -4.039 358 HD21 LEU 53 HD21 LEU 53 3.889 5.061 -5.782 359 HD22 LEU 53 HD22 LEU 53 3.558 6.671 -6.421 360 HD23 LEU 53 HD23 LEU 53 3.273 6.322 -4.716 361 H ASN 54 H ASN 54 4.636 8.950 -8.486 362 HA ASN 54 HA ASN 54 6.272 10.876 -7.112 363 HB2 ASN 54 HB2 ASN 54 6.559 12.276 -9.239 364 HB3 ASN 54 HB3 ASN 54 7.627 10.899 -9.024 365 HD21 ASN 54 HD21 ASN 54 8.083 10.695 -11.167 366 HD22 ASN 54 HD22 ASN 54 6.933 10.142 -12.332 367 H GLY 55 H GLY 55 4.709 11.859 -6.008 368 HA2 GLY 55 HA2 GLY 55 2.993 13.672 -7.273 369 HA3 GLY 55 HA3 GLY 55 2.065 12.221 -6.933 370 H SER 56 H SER 56 1.214 14.470 -5.810 371 HA SER 56 HA SER 56 2.017 14.243 -2.995 372 HB2 SER 56 HB2 SER 56 0.633 16.326 -2.709 373 HB3 SER 56 HB3 SER 56 2.020 16.534 -3.779 374 HG SER 56 HG SER 56 -0.544 15.860 -4.768 375 H MET 57 H MET 57 0.868 12.773 -1.917 376 HA MET 57 HA MET 57 -1.996 12.643 -2.129 377 HB2 MET 57 HB2 MET 57 -1.980 10.218 -2.831 378 HB3 MET 57 HB3 MET 57 -1.560 11.368 -4.094 379 HG2 MET 57 HG2 MET 57 0.826 10.897 -3.672 380 HG3 MET 57 HG3 MET 57 0.343 9.667 -2.505 381 HE1 MET 57 HE1 MET 57 1.743 7.839 -5.765 382 HE2 MET 57 HE2 MET 57 2.067 8.197 -4.068 383 HE3 MET 57 HE3 MET 57 2.185 9.476 -5.277 384 H SER 58 H SER 58 -2.769 10.611 -0.863 385 HA SER 58 HA SER 58 -1.422 10.772 1.693 386 HB2 SER 58 HB2 SER 58 -3.916 9.214 1.013 387 HB3 SER 58 HB3 SER 58 -3.410 9.821 2.591 388 HG SER 58 HG SER 58 -4.247 11.697 2.128 389 H VAL 59 H VAL 59 -1.297 8.633 2.992 390 HA VAL 59 HA VAL 59 0.559 6.941 1.739 391 HB VAL 59 HB VAL 59 -1.136 6.239 4.138 392 HG11 VAL 59 HG11 VAL 59 1.586 5.270 3.268 393 HG12 VAL 59 HG12 VAL 59 0.085 4.347 3.185 394 HG13 VAL 59 HG13 VAL 59 0.753 4.810 4.751 395 HG21 VAL 59 HG21 VAL 59 1.500 7.704 4.027 396 HG22 VAL 59 HG22 VAL 59 0.686 7.166 5.494 397 HG23 VAL 59 HG23 VAL 59 -0.056 8.400 4.475 398 H GLU 60 H GLU 60 -2.891 6.542 2.348 399 HA GLU 60 HA GLU 60 -3.235 3.954 1.400 400 HB2 GLU 60 HB2 GLU 60 -5.114 6.319 1.207 401 HB3 GLU 60 HB3 GLU 60 -5.582 4.653 0.928 402 HG2 GLU 60 HG2 GLU 60 -6.283 5.193 3.109 403 HG3 GLU 60 HG3 GLU 60 -4.868 4.159 3.283 404 H GLN 61 H GLN 61 -3.571 7.008 -0.360 405 HA GLN 61 HA GLN 61 -4.094 5.834 -2.877 406 HB2 GLN 61 HB2 GLN 61 -3.023 8.577 -2.195 407 HB3 GLN 61 HB3 GLN 61 -3.669 8.099 -3.760 408 HG2 GLN 61 HG2 GLN 61 -5.849 7.779 -2.835 409 HG3 GLN 61 HG3 GLN 61 -5.242 8.033 -1.199 410 HE21 GLN 61 HE21 GLN 61 -7.329 9.430 -2.684 411 HE22 GLN 61 HE22 GLN 61 -6.866 11.099 -2.692 412 H GLY 62 H GLY 62 -1.162 6.891 -1.261 413 HA2 GLY 62 HA2 GLY 62 0.597 6.746 -3.441 414 HA3 GLY 62 HA3 GLY 62 1.051 6.603 -1.749 415 H LEU 63 H LEU 63 -0.095 4.327 -0.922 416 HA LEU 63 HA LEU 63 1.639 2.357 -1.856 417 HB2 LEU 63 HB2 LEU 63 -0.765 2.414 -0.124 418 HB3 LEU 63 HB3 LEU 63 -0.255 0.857 -0.722 419 HG LEU 63 HG LEU 63 0.603 1.322 1.522 420 HD11 LEU 63 HD11 LEU 63 2.972 0.815 1.088 421 HD12 LEU 63 HD12 LEU 63 2.723 1.193 -0.616 422 HD13 LEU 63 HD13 LEU 63 1.878 -0.168 0.119 423 HD21 LEU 63 HD21 LEU 63 2.204 3.518 0.236 424 HD22 LEU 63 HD22 LEU 63 2.225 3.029 1.931 425 HD23 LEU 63 HD23 LEU 63 0.781 3.770 1.246 426 H ARG 64 H ARG 64 -1.788 2.894 -2.602 427 HA ARG 64 HA ARG 64 -2.282 0.639 -4.129 428 HB2 ARG 64 HB2 ARG 64 -3.342 3.436 -4.573 429 HB3 ARG 64 HB3 ARG 64 -4.025 1.973 -5.267 430 HG2 ARG 64 HG2 ARG 64 -4.590 1.152 -3.062 431 HG3 ARG 64 HG3 ARG 64 -3.831 2.564 -2.322 432 HD2 ARG 64 HD2 ARG 64 -5.445 3.993 -3.578 433 HD3 ARG 64 HD3 ARG 64 -6.259 2.522 -4.105 434 HE ARG 64 HE ARG 64 -5.978 2.698 -1.256 435 HH11 ARG 64 HH11 ARG 64 -7.932 3.614 -4.003 436 HH12 ARG 64 HH12 ARG 64 -9.373 3.845 -3.069 437 HH21 ARG 64 HH21 ARG 64 -7.861 3.013 -0.006 438 HH22 ARG 64 HH22 ARG 64 -9.330 3.517 -0.778 439 H ARG 65 H ARG 65 -1.157 3.812 -5.265 440 HA ARG 65 HA ARG 65 -0.794 2.971 -7.963 441 HB2 ARG 65 HB2 ARG 65 -1.240 5.303 -7.385 442 HB3 ARG 65 HB3 ARG 65 0.261 5.383 -6.473 443 HG2 ARG 65 HG2 ARG 65 1.524 5.013 -8.543 444 HG3 ARG 65 HG3 ARG 65 0.009 4.984 -9.448 445 HD2 ARG 65 HD2 ARG 65 -0.449 7.266 -8.879 446 HD3 ARG 65 HD3 ARG 65 0.914 7.312 -7.759 447 HE ARG 65 HE ARG 65 1.629 6.682 -10.481 448 HH11 ARG 65 HH11 ARG 65 1.008 9.313 -8.248 449 HH12 ARG 65 HH12 ARG 65 2.110 10.401 -9.035 450 HH21 ARG 65 HH21 ARG 65 3.040 8.109 -11.527 451 HH22 ARG 65 HH22 ARG 65 3.282 9.713 -10.901 452 H LEU 66 H LEU 66 1.288 3.195 -5.156 453 HA LEU 66 HA LEU 66 3.781 3.072 -6.447 454 HB2 LEU 66 HB2 LEU 66 3.240 3.711 -4.040 455 HB3 LEU 66 HB3 LEU 66 3.161 1.998 -3.698 456 HG LEU 66 HG LEU 66 5.649 3.207 -4.878 457 HD11 LEU 66 HD11 LEU 66 6.504 3.541 -2.630 458 HD12 LEU 66 HD12 LEU 66 4.964 3.021 -1.946 459 HD13 LEU 66 HD13 LEU 66 5.054 4.514 -2.880 460 HD21 LEU 66 HD21 LEU 66 5.171 0.819 -3.091 461 HD22 LEU 66 HD22 LEU 66 6.724 1.329 -3.755 462 HD23 LEU 66 HD23 LEU 66 5.447 0.759 -4.832 463 H ILE 67 H ILE 67 1.702 0.501 -5.138 464 HA ILE 67 HA ILE 67 3.708 -1.507 -5.690 465 HB ILE 67 HB ILE 67 0.833 -1.981 -4.909 466 HG12 ILE 67 HG12 ILE 67 3.149 -1.705 -2.998 467 HG13 ILE 67 HG13 ILE 67 2.072 -0.367 -3.378 468 HG21 ILE 67 HG21 ILE 67 2.029 -3.951 -5.665 469 HG22 ILE 67 HG22 ILE 67 1.747 -4.044 -3.925 470 HG23 ILE 67 HG23 ILE 67 3.343 -3.611 -4.539 471 HD11 ILE 67 HD11 ILE 67 0.181 -1.624 -2.506 472 HD12 ILE 67 HD12 ILE 67 1.450 -1.477 -1.291 473 HD13 ILE 67 HD13 ILE 67 1.237 -2.992 -2.165 474 H GLY 68 H GLY 68 0.286 -1.247 -6.665 475 HA2 GLY 68 HA2 GLY 68 1.021 -2.626 -9.168 476 HA3 GLY 68 HA3 GLY 68 -0.494 -2.890 -8.326 477 H GLY 69 H GLY 69 -1.205 -0.265 -7.770 478 HA2 GLY 69 HA2 GLY 69 -2.099 1.596 -8.983 479 HA3 GLY 69 HA3 GLY 69 -1.832 0.702 -10.478 480 H ASN 70 H ASN 70 -2.833 -1.605 -8.587 481 HA ASN 70 HA ASN 70 -5.646 -1.390 -9.391 482 HB2 ASN 70 HB2 ASN 70 -4.295 -3.349 -10.136 483 HB3 ASN 70 HB3 ASN 70 -4.022 -3.775 -8.454 484 HD21 ASN 70 HD21 ASN 70 -4.987 -5.720 -8.476 485 HD22 ASN 70 HD22 ASN 70 -6.683 -5.963 -8.739 486 HA PRO 71 HA PRO 71 -6.905 -0.680 -5.123 487 HB2 PRO 71 HB2 PRO 71 -9.279 -2.250 -5.986 488 HB3 PRO 71 HB3 PRO 71 -9.200 -0.676 -5.193 489 HG2 PRO 71 HG2 PRO 71 -9.784 -0.878 -7.786 490 HG3 PRO 71 HG3 PRO 71 -8.783 0.449 -7.170 491 HD2 PRO 71 HD2 PRO 71 -7.977 -1.995 -8.675 492 HD3 PRO 71 HD3 PRO 71 -7.305 -0.353 -8.737 493 H VAL 72 H VAL 72 -6.056 -1.850 -3.548 494 HA VAL 72 HA VAL 72 -6.703 -4.649 -3.200 495 HB VAL 72 HB VAL 72 -4.587 -4.402 -4.695 496 HG11 VAL 72 HG11 VAL 72 -3.469 -2.691 -3.393 497 HG12 VAL 72 HG12 VAL 72 -2.491 -4.156 -3.456 498 HG13 VAL 72 HG13 VAL 72 -3.404 -3.768 -1.999 499 HG21 VAL 72 HG21 VAL 72 -5.333 -6.503 -3.725 500 HG22 VAL 72 HG22 VAL 72 -4.529 -6.102 -2.206 501 HG23 VAL 72 HG23 VAL 72 -3.574 -6.375 -3.663 502 H ALA 73 H ALA 73 -5.677 -5.388 -1.005 503 HA ALA 73 HA ALA 73 -6.276 -3.112 0.750 504 HB1 ALA 73 HB1 ALA 73 -7.922 -4.875 0.846 505 HB2 ALA 73 HB2 ALA 73 -7.051 -4.770 2.377 506 HB3 ALA 73 HB3 ALA 73 -6.671 -6.055 1.228 507 H PHE 74 H PHE 74 -4.755 -2.370 1.985 508 HA PHE 74 HA PHE 74 -2.586 -4.137 2.839 509 HB2 PHE 74 HB2 PHE 74 -0.976 -2.233 2.426 510 HB3 PHE 74 HB3 PHE 74 -1.663 -2.937 0.967 511 HD1 PHE 74 HD1 PHE 74 -3.485 -1.741 -0.230 512 HD2 PHE 74 HD2 PHE 74 -1.296 0.061 2.945 513 HE1 PHE 74 HE1 PHE 74 -4.244 0.471 -0.972 514 HE2 PHE 74 HE2 PHE 74 -2.052 2.292 2.203 515 HZ PHE 74 HZ PHE 74 -3.534 2.484 0.240 516 H ARG 75 H ARG 75 -2.454 -4.119 4.977 517 HA ARG 75 HA ARG 75 -3.876 -2.017 6.403 518 HB2 ARG 75 HB2 ARG 75 -3.485 -3.482 8.422 519 HB3 ARG 75 HB3 ARG 75 -4.510 -4.156 7.167 520 HG2 ARG 75 HG2 ARG 75 -2.740 -5.582 6.407 521 HG3 ARG 75 HG3 ARG 75 -1.591 -4.808 7.502 522 HD2 ARG 75 HD2 ARG 75 -2.721 -5.670 9.418 523 HD3 ARG 75 HD3 ARG 75 -4.073 -6.236 8.438 524 HE ARG 75 HE ARG 75 -2.360 -7.770 7.389 525 HH11 ARG 75 HH11 ARG 75 -2.135 -6.701 10.722 526 HH12 ARG 75 HH12 ARG 75 -1.229 -8.090 11.230 527 HH21 ARG 75 HH21 ARG 75 -1.195 -9.597 8.064 528 HH22 ARG 75 HH22 ARG 75 -0.689 -9.735 9.719 529 H LEU 76 H LEU 76 -2.789 -0.278 6.798 530 HA LEU 76 HA LEU 76 0.049 -0.257 7.288 531 HB2 LEU 76 HB2 LEU 76 -1.962 1.967 7.650 532 HB3 LEU 76 HB3 LEU 76 -0.224 2.138 7.499 533 HG LEU 76 HG LEU 76 -1.970 1.057 5.291 534 HD11 LEU 76 HD11 LEU 76 -0.992 3.875 5.727 535 HD12 LEU 76 HD12 LEU 76 -2.667 3.325 5.796 536 HD13 LEU 76 HD13 LEU 76 -1.785 3.275 4.270 537 HD21 LEU 76 HD21 LEU 76 -0.029 1.626 3.894 538 HD22 LEU 76 HD22 LEU 76 0.366 0.428 5.126 539 HD23 LEU 76 HD23 LEU 76 0.857 2.107 5.341 540 H GLN 77 H GLN 77 0.546 -1.263 9.167 541 HA GLN 77 HA GLN 77 -1.136 -0.931 11.493 542 HB2 GLN 77 HB2 GLN 77 1.443 -2.460 11.137 543 HB3 GLN 77 HB3 GLN 77 0.394 -2.538 12.548 544 HG2 GLN 77 HG2 GLN 77 -1.387 -3.479 11.207 545 HG3 GLN 77 HG3 GLN 77 -0.394 -3.340 9.758 546 HE21 GLN 77 HE21 GLN 77 1.348 -4.721 9.481 547 HE22 GLN 77 HE22 GLN 77 1.506 -6.188 10.387 548 HA PRO 78 HA PRO 78 1.050 2.606 13.064 549 HB2 PRO 78 HB2 PRO 78 0.009 1.628 15.664 550 HB3 PRO 78 HB3 PRO 78 -0.191 3.203 14.894 551 HG2 PRO 78 HG2 PRO 78 -2.207 1.465 14.990 552 HG3 PRO 78 HG3 PRO 78 -1.940 2.479 13.559 553 HD2 PRO 78 HD2 PRO 78 -1.297 -0.413 13.982 554 HD3 PRO 78 HD3 PRO 78 -1.929 0.408 12.539 555 H GLN 79 H GLN 79 1.614 -0.641 13.894 556 HA GLN 79 HA GLN 79 3.745 -0.167 15.769 557 HB2 GLN 79 HB2 GLN 79 3.091 -2.690 14.235 558 HB3 GLN 79 HB3 GLN 79 4.115 -2.565 15.658 559 HG2 GLN 79 HG2 GLN 79 1.151 -2.051 15.541 560 HG3 GLN 79 HG3 GLN 79 1.946 -3.459 16.243 561 HE21 GLN 79 HE21 GLN 79 4.101 -1.885 17.419 562 HE22 GLN 79 HE22 GLN 79 3.411 -1.067 18.774 563 H GLY 80 H GLY 80 3.427 0.153 12.462 564 HA2 GLY 80 HA2 GLY 80 5.173 1.099 11.169 565 HA3 GLY 80 HA3 GLY 80 6.341 0.308 12.211 566 H GLN 81 H GLN 81 3.627 -1.481 10.944 567 HA GLN 81 HA GLN 81 5.446 -2.774 9.022 568 HB2 GLN 81 HB2 GLN 81 3.603 -4.046 11.019 569 HB3 GLN 81 HB3 GLN 81 3.997 -4.878 9.527 570 HG2 GLN 81 HG2 GLN 81 5.524 -5.761 10.993 571 HG3 GLN 81 HG3 GLN 81 6.454 -4.474 10.235 572 HE21 GLN 81 HE21 GLN 81 7.133 -2.756 11.458 573 HE22 GLN 81 HE22 GLN 81 6.944 -2.680 13.178 574 H ILE 82 H ILE 82 4.704 -2.945 7.009 575 HA ILE 82 HA ILE 82 1.853 -2.392 6.505 576 HB ILE 82 HB ILE 82 4.173 -2.257 4.562 577 HG12 ILE 82 HG12 ILE 82 2.635 -0.010 5.888 578 HG13 ILE 82 HG13 ILE 82 4.274 -0.500 6.303 579 HG21 ILE 82 HG21 ILE 82 2.075 -2.788 3.465 580 HG22 ILE 82 HG22 ILE 82 2.561 -1.137 3.080 581 HG23 ILE 82 HG23 ILE 82 1.288 -1.428 4.265 582 HD11 ILE 82 HD11 ILE 82 5.024 0.121 4.062 583 HD12 ILE 82 HD12 ILE 82 4.276 1.479 4.901 584 HD13 ILE 82 HD13 ILE 82 3.380 0.613 3.653 585 H VAL 83 H VAL 83 0.637 -4.117 6.054 586 HA VAL 83 HA VAL 83 1.900 -6.414 4.695 587 HB VAL 83 HB VAL 83 -0.447 -6.576 6.597 588 HG11 VAL 83 HG11 VAL 83 -0.035 -8.983 6.517 589 HG12 VAL 83 HG12 VAL 83 1.281 -8.724 5.373 590 HG13 VAL 83 HG13 VAL 83 -0.378 -8.343 4.909 591 HG21 VAL 83 HG21 VAL 83 1.535 -5.928 7.839 592 HG22 VAL 83 HG22 VAL 83 2.451 -7.236 7.093 593 HG23 VAL 83 HG23 VAL 83 1.119 -7.607 8.187 594 H LEU 84 H LEU 84 0.918 -7.158 2.882 595 HA LEU 84 HA LEU 84 -1.477 -5.721 1.977 596 HB2 LEU 84 HB2 LEU 84 0.893 -5.710 0.797 597 HB3 LEU 84 HB3 LEU 84 0.351 -7.250 0.165 598 HG LEU 84 HG LEU 84 -1.069 -4.615 -0.243 599 HD11 LEU 84 HD11 LEU 84 0.552 -6.253 -2.176 600 HD12 LEU 84 HD12 LEU 84 1.096 -4.765 -1.404 601 HD13 LEU 84 HD13 LEU 84 -0.278 -4.734 -2.512 602 HD21 LEU 84 HD21 LEU 84 -2.647 -6.386 -0.318 603 HD22 LEU 84 HD22 LEU 84 -1.576 -7.377 -1.304 604 HD23 LEU 84 HD23 LEU 84 -2.294 -5.913 -1.978 605 H SER 85 H SER 85 -3.280 -6.882 1.337 606 HA SER 85 HA SER 85 -3.031 -9.777 0.994 607 HB2 SER 85 HB2 SER 85 -5.059 -8.488 2.839 608 HB3 SER 85 HB3 SER 85 -4.958 -10.207 2.454 609 HG SER 85 HG SER 85 -2.565 -9.515 3.247 610 H ARG 86 H ARG 86 -4.852 -10.703 -0.161 611 HA ARG 86 HA ARG 86 -5.832 -8.796 -2.122 612 HB2 ARG 86 HB2 ARG 86 -4.824 -10.929 -2.854 613 HB3 ARG 86 HB3 ARG 86 -6.111 -11.806 -2.038 614 HG2 ARG 86 HG2 ARG 86 -7.756 -10.778 -3.520 615 HG3 ARG 86 HG3 ARG 86 -6.467 -9.895 -4.339 616 HD2 ARG 86 HD2 ARG 86 -5.438 -12.049 -4.965 617 HD3 ARG 86 HD3 ARG 86 -6.793 -12.890 -4.215 618 HE ARG 86 HE ARG 86 -8.166 -11.513 -5.904 619 HH11 ARG 86 HH11 ARG 86 -4.999 -12.881 -6.479 620 HH12 ARG 86 HH12 ARG 86 -5.198 -12.947 -8.200 621 HH21 ARG 86 HH21 ARG 86 -8.453 -11.635 -8.162 622 HH22 ARG 86 HH22 ARG 86 -7.175 -12.254 -9.157 623 H LEU 87 H LEU 87 -7.466 -7.664 -1.174 624 HA LEU 87 HA LEU 87 -9.868 -9.215 -0.475 625 HB2 LEU 87 HB2 LEU 87 -8.805 -6.635 0.625 626 HB3 LEU 87 HB3 LEU 87 -10.519 -6.980 0.693 627 HG LEU 87 HG LEU 87 -9.602 -7.556 2.806 628 HD11 LEU 87 HD11 LEU 87 -10.139 -9.888 3.007 629 HD12 LEU 87 HD12 LEU 87 -9.923 -10.128 1.276 630 HD13 LEU 87 HD13 LEU 87 -11.250 -9.130 1.869 631 HD21 LEU 87 HD21 LEU 87 -7.549 -9.183 1.318 632 HD22 LEU 87 HD22 LEU 87 -7.770 -9.177 3.067 633 HD23 LEU 87 HD23 LEU 87 -7.264 -7.706 2.238 634 HA PRO 88 HA PRO 88 -11.695 -7.159 -3.937 635 HB2 PRO 88 HB2 PRO 88 -14.210 -8.009 -3.645 636 HB3 PRO 88 HB3 PRO 88 -12.903 -9.139 -4.011 637 HG2 PRO 88 HG2 PRO 88 -14.253 -8.577 -1.407 638 HG3 PRO 88 HG3 PRO 88 -13.727 -10.126 -2.088 639 HD2 PRO 88 HD2 PRO 88 -12.321 -8.646 -0.208 640 HD3 PRO 88 HD3 PRO 88 -11.622 -9.894 -1.258 641 H THR 89 H THR 89 -14.268 -6.199 -4.094 642 HA THR 89 HA THR 89 -14.106 -3.604 -3.138 643 HB THR 89 HB THR 89 -16.649 -5.099 -3.798 644 HG1 THR 89 HG1 THR 89 -14.513 -4.313 -5.354 645 HG21 THR 89 HG21 THR 89 -17.004 -2.895 -2.779 646 HG22 THR 89 HG22 THR 89 -17.477 -2.899 -4.478 647 HG23 THR 89 HG23 THR 89 -15.949 -2.166 -3.992 648 H ALA 90 H ALA 90 -14.485 -2.685 -1.230 649 HA ALA 90 HA ALA 90 -15.442 -4.290 0.977 650 HB1 ALA 90 HB1 ALA 90 -14.875 -2.359 2.356 651 HB2 ALA 90 HB2 ALA 90 -14.559 -1.407 0.907 652 HB3 ALA 90 HB3 ALA 90 -13.536 -2.791 1.293 653 H ASN 91 H ASN 91 -17.133 -3.472 2.445 654 HA ASN 91 HA ASN 91 -19.537 -3.056 1.037 655 HB2 ASN 91 HB2 ASN 91 -19.395 -4.192 3.233 656 HB3 ASN 91 HB3 ASN 91 -19.005 -2.652 3.987 657 HD21 ASN 91 HD21 ASN 91 -21.363 -3.133 1.415 658 HD22 ASN 91 HD22 ASN 91 -22.745 -2.723 2.366 659 H GLY 92 H GLY 92 -17.318 -0.868 2.610 660 HA2 GLY 92 HA2 GLY 92 -18.939 1.408 2.817 661 HA3 GLY 92 HA3 GLY 92 -17.190 1.418 2.687 662 H ASP 93 H ASP 93 -17.471 -0.020 0.023 663 HA ASP 93 HA ASP 93 -17.617 2.388 -1.571 664 HB2 ASP 93 HB2 ASP 93 -15.850 0.698 -1.962 665 HB3 ASP 93 HB3 ASP 93 -17.083 -0.473 -2.412 666 H GLY 94 H GLY 94 -19.810 0.090 -0.534 667 HA2 GLY 94 HA2 GLY 94 -22.122 0.193 -1.010 668 HA3 GLY 94 HA3 GLY 94 -21.747 0.968 -2.542 669 H GLY 95 H GLY 95 -19.916 -1.809 -1.697 670 HA2 GLY 95 HA2 GLY 95 -20.999 -3.280 -3.923 671 HA3 GLY 95 HA3 GLY 95 -19.709 -3.806 -2.850 672 H ALA 96 H ALA 96 -22.373 -4.961 -3.908 673 HA ALA 96 HA ALA 96 -23.786 -5.531 -1.437 674 HB1 ALA 96 HB1 ALA 96 -25.055 -5.167 -3.504 675 HB2 ALA 96 HB2 ALA 96 -25.334 -6.781 -2.848 676 HB3 ALA 96 HB3 ALA 96 -24.262 -6.564 -4.232 677 H LEU 97 H LEU 97 -23.766 -7.449 -0.359 678 HA LEU 97 HA LEU 97 -22.900 -9.372 0.479 679 HB2 LEU 97 HB2 LEU 97 -22.329 -10.000 -2.417 680 HB3 LEU 97 HB3 LEU 97 -22.246 -11.152 -1.100 681 HG LEU 97 HG LEU 97 -24.739 -9.747 -2.060 682 HD11 LEU 97 HD11 LEU 97 -23.930 -11.460 -3.602 683 HD12 LEU 97 HD12 LEU 97 -25.419 -11.967 -2.806 684 HD13 LEU 97 HD13 LEU 97 -23.870 -12.626 -2.280 685 HD21 LEU 97 HD21 LEU 97 -24.797 -10.144 0.346 686 HD22 LEU 97 HD22 LEU 97 -24.372 -11.835 0.084 687 HD23 LEU 97 HD23 LEU 97 -25.915 -11.213 -0.498 688 H ALA 98 H ALA 98 -21.227 -6.983 -0.054 689 HA ALA 98 HA ALA 98 -18.610 -7.874 -0.756 690 HB1 ALA 98 HB1 ALA 98 -19.333 -5.564 -1.122 691 HB2 ALA 98 HB2 ALA 98 -17.893 -5.640 -0.106 692 HB3 ALA 98 HB3 ALA 98 -19.469 -5.334 0.622 693 H LEU 99 H LEU 99 -20.416 -7.532 2.210 694 HA LEU 99 HA LEU 99 -18.272 -7.653 4.015 695 HB2 LEU 99 HB2 LEU 99 -21.111 -8.622 4.343 696 HB3 LEU 99 HB3 LEU 99 -19.954 -8.475 5.650 697 HG LEU 99 HG LEU 99 -20.948 -6.173 3.967 698 HD11 LEU 99 HD11 LEU 99 -21.683 -6.984 6.778 699 HD12 LEU 99 HD12 LEU 99 -22.723 -7.120 5.361 700 HD13 LEU 99 HD13 LEU 99 -22.227 -5.530 5.939 701 HD21 LEU 99 HD21 LEU 99 -18.720 -5.790 4.843 702 HD22 LEU 99 HD22 LEU 99 -19.249 -6.262 6.457 703 HD23 LEU 99 HD23 LEU 99 -19.890 -4.799 5.713 704 H ASP 100 H ASP 100 -20.182 -10.185 2.450 705 HA ASP 100 HA ASP 100 -19.014 -12.348 3.850 706 HB2 ASP 100 HB2 ASP 100 -20.548 -12.134 1.283 707 HB3 ASP 100 HB3 ASP 100 -19.783 -13.656 1.724 708 H SER 101 H SER 101 -18.198 -10.821 0.756 709 HA SER 101 HA SER 101 -16.134 -12.709 0.169 710 HB2 SER 101 HB2 SER 101 -15.560 -10.969 -1.626 711 HB3 SER 101 HB3 SER 101 -17.158 -11.709 -1.708 712 HG SER 101 HG SER 101 -17.687 -9.641 -1.825 713 H LEU 102 H LEU 102 -16.260 -9.522 1.643 714 HA LEU 102 HA LEU 102 -13.463 -9.045 1.680 715 HB2 LEU 102 HB2 LEU 102 -15.301 -7.342 1.963 716 HB3 LEU 102 HB3 LEU 102 -15.532 -7.956 3.586 717 HG LEU 102 HG LEU 102 -13.176 -7.312 4.105 718 HD11 LEU 102 HD11 LEU 102 -12.280 -7.324 1.845 719 HD12 LEU 102 HD12 LEU 102 -12.052 -5.745 2.595 720 HD13 LEU 102 HD13 LEU 102 -13.333 -5.980 1.405 721 HD21 LEU 102 HD21 LEU 102 -14.979 -5.095 3.142 722 HD22 LEU 102 HD22 LEU 102 -13.648 -4.927 4.286 723 HD23 LEU 102 HD23 LEU 102 -15.063 -5.886 4.715 724 H THR 103 H THR 103 -15.488 -11.083 3.518 725 HA THR 103 HA THR 103 -13.875 -11.201 5.884 726 HB THR 103 HB THR 103 -16.013 -13.089 4.860 727 HG1 THR 103 HG1 THR 103 -16.958 -11.144 5.339 728 HG21 THR 103 HG21 THR 103 -16.149 -13.900 7.176 729 HG22 THR 103 HG22 THR 103 -14.767 -12.892 7.607 730 HG23 THR 103 HG23 THR 103 -14.566 -14.225 6.468 731 H VAL 104 H VAL 104 -13.634 -12.517 2.751 732 HA VAL 104 HA VAL 104 -11.973 -14.760 3.580 733 HB VAL 104 HB VAL 104 -12.590 -13.799 0.779 734 HG11 VAL 104 HG11 VAL 104 -11.877 -16.044 0.101 735 HG12 VAL 104 HG12 VAL 104 -11.475 -16.421 1.776 736 HG13 VAL 104 HG13 VAL 104 -10.578 -15.172 0.913 737 HG21 VAL 104 HG21 VAL 104 -13.923 -15.963 2.403 738 HG22 VAL 104 HG22 VAL 104 -14.233 -15.622 0.701 739 HG23 VAL 104 HG23 VAL 104 -14.641 -14.424 1.930 740 H LEU 105 H LEU 105 -10.144 -13.880 4.464 741 HA LEU 105 HA LEU 105 -8.710 -11.709 3.313 742 HB2 LEU 105 HB2 LEU 105 -7.996 -13.768 5.390 743 HB3 LEU 105 HB3 LEU 105 -6.829 -12.591 4.828 744 HG LEU 105 HG LEU 105 -7.744 -11.833 6.903 745 HD11 LEU 105 HD11 LEU 105 -7.297 -10.131 5.204 746 HD12 LEU 105 HD12 LEU 105 -8.602 -9.662 6.290 747 HD13 LEU 105 HD13 LEU 105 -8.974 -10.240 4.668 748 HD21 LEU 105 HD21 LEU 105 -10.461 -12.096 5.631 749 HD22 LEU 105 HD22 LEU 105 -10.133 -11.365 7.202 750 HD23 LEU 105 HD23 LEU 105 -9.816 -13.081 6.943 751 H GLY 106 H GLY 106 -8.146 -12.035 1.231 752 HA2 GLY 106 HA2 GLY 106 -7.168 -14.458 0.167 753 HA3 GLY 106 HA3 GLY 106 -7.028 -12.875 -0.580 754 H ALA 107 H ALA 107 -5.373 -15.406 0.836 755 HA ALA 107 HA ALA 107 -3.153 -13.999 1.935 756 HB1 ALA 107 HB1 ALA 107 -2.064 -16.187 1.997 757 HB2 ALA 107 HB2 ALA 107 -3.356 -16.864 1.006 758 HB3 ALA 107 HB3 ALA 107 -3.707 -16.275 2.631 759 H GLY 108 H GLY 108 -1.114 -13.675 1.053 760 HA2 GLY 108 HA2 GLY 108 0.487 -13.620 -0.665 761 HA3 GLY 108 HA3 GLY 108 -0.728 -14.224 -1.784 762 H GLY 109 H GLY 109 1.000 -11.532 -0.815 763 HA2 GLY 109 HA2 GLY 109 -0.955 -9.520 -1.402 764 HA3 GLY 109 HA3 GLY 109 0.779 -9.272 -1.234 765 H ASN 110 H ASN 110 -1.831 -9.781 -3.386 766 HA ASN 110 HA ASN 110 -0.003 -9.547 -5.682 767 HB2 ASN 110 HB2 ASN 110 -2.576 -11.118 -5.444 768 HB3 ASN 110 HB3 ASN 110 -1.820 -10.750 -6.988 769 HD21 ASN 110 HD21 ASN 110 -2.345 -13.303 -5.578 770 HD22 ASN 110 HD22 ASN 110 -0.817 -14.105 -5.520 771 H ASN 111 H ASN 111 -0.249 -7.250 -5.393 772 HA ASN 111 HA ASN 111 -2.730 -5.921 -5.559 773 HB2 ASN 111 HB2 ASN 111 -0.615 -4.879 -4.751 774 HB3 ASN 111 HB3 ASN 111 0.002 -4.909 -6.397 775 HD21 ASN 111 HD21 ASN 111 -0.687 -2.742 -4.404 776 HD22 ASN 111 HD22 ASN 111 -1.680 -1.640 -5.290 777 H ALA 112 H ALA 112 -0.226 -6.374 -8.060 778 HA ALA 112 HA ALA 112 -2.389 -6.502 -10.043 779 HB1 ALA 112 HB1 ALA 112 0.222 -5.032 -10.414 780 HB2 ALA 112 HB2 ALA 112 -1.357 -4.282 -10.177 781 HB3 ALA 112 HB3 ALA 112 -1.040 -5.230 -11.630 Start of MODEL 20 1 H1 SER 6 H1 SER 6 -9.760 18.626 9.787 2 H2 SER 6 H2 SER 6 -11.264 17.907 9.506 3 H3 SER 6 H3 SER 6 -10.689 19.096 8.452 4 HA SER 6 HA SER 6 -9.493 16.429 8.875 5 HB2 SER 6 HB2 SER 6 -10.241 16.099 6.477 6 HB3 SER 6 HB3 SER 6 -11.540 16.174 7.667 7 HG SER 6 HG SER 6 -12.005 17.463 5.847 8 H MET 7 H MET 7 -8.202 19.086 9.039 9 HA MET 7 HA MET 7 -6.317 20.134 8.334 10 HB2 MET 7 HB2 MET 7 -5.778 17.460 7.023 11 HB3 MET 7 HB3 MET 7 -4.585 18.729 7.254 12 HG2 MET 7 HG2 MET 7 -4.803 18.520 9.664 13 HG3 MET 7 HG3 MET 7 -6.044 17.286 9.456 14 HE1 MET 7 HE1 MET 7 -4.729 15.636 11.048 15 HE2 MET 7 HE2 MET 7 -3.494 16.871 11.289 16 HE3 MET 7 HE3 MET 7 -3.024 15.230 10.846 17 H ALA 8 H ALA 8 -8.429 20.890 6.867 18 HA ALA 8 HA ALA 8 -8.078 20.442 4.057 19 HB1 ALA 8 HB1 ALA 8 -10.279 20.899 5.083 20 HB2 ALA 8 HB2 ALA 8 -9.893 21.995 3.758 21 HB3 ALA 8 HB3 ALA 8 -9.746 22.545 5.425 22 H GLN 9 H GLN 9 -7.661 23.287 6.156 23 HA GLN 9 HA GLN 9 -6.464 24.848 4.081 24 HB2 GLN 9 HB2 GLN 9 -7.723 25.792 6.035 25 HB3 GLN 9 HB3 GLN 9 -6.382 25.316 7.067 26 HG2 GLN 9 HG2 GLN 9 -4.892 26.779 5.771 27 HG3 GLN 9 HG3 GLN 9 -6.268 27.283 4.796 28 HE21 GLN 9 HE21 GLN 9 -4.506 28.856 6.483 29 HE22 GLN 9 HE22 GLN 9 -5.527 29.650 7.631 30 H ALA 10 H ALA 10 -5.343 22.797 6.662 31 HA ALA 10 HA ALA 10 -2.591 23.464 6.525 32 HB1 ALA 10 HB1 ALA 10 -2.239 21.401 7.786 33 HB2 ALA 10 HB2 ALA 10 -3.903 20.914 7.460 34 HB3 ALA 10 HB3 ALA 10 -3.580 22.333 8.453 35 H ALA 11 H ALA 11 -4.580 20.998 4.947 36 HA ALA 11 HA ALA 11 -4.219 19.590 3.208 37 HB1 ALA 11 HB1 ALA 11 -2.287 21.724 2.311 38 HB2 ALA 11 HB2 ALA 11 -4.025 21.729 2.019 39 HB3 ALA 11 HB3 ALA 11 -3.013 20.477 1.298 40 H GLN 12 H GLN 12 -3.264 18.106 4.745 41 HA GLN 12 HA GLN 12 -0.379 17.936 4.880 42 HB2 GLN 12 HB2 GLN 12 -1.772 17.429 6.848 43 HB3 GLN 12 HB3 GLN 12 -2.540 16.117 5.971 44 HG2 GLN 12 HG2 GLN 12 -0.814 15.409 7.607 45 HG3 GLN 12 HG3 GLN 12 -0.536 14.843 5.964 46 HE21 GLN 12 HE21 GLN 12 1.244 15.507 4.867 47 HE22 GLN 12 HE22 GLN 12 2.513 16.444 5.580 48 H GLN 13 H GLN 13 0.673 17.153 3.202 49 HA GLN 13 HA GLN 13 -0.276 14.693 1.928 50 HB2 GLN 13 HB2 GLN 13 0.394 15.697 -0.303 51 HB3 GLN 13 HB3 GLN 13 -1.078 16.341 0.411 52 HG2 GLN 13 HG2 GLN 13 0.145 18.289 1.207 53 HG3 GLN 13 HG3 GLN 13 1.635 17.641 0.524 54 HE21 GLN 13 HE21 GLN 13 1.969 17.728 -1.664 55 HE22 GLN 13 HE22 GLN 13 0.969 18.655 -2.731 56 H LYS 14 H LYS 14 1.376 13.463 0.935 57 HA LYS 14 HA LYS 14 4.082 14.196 1.831 58 HB2 LYS 14 HB2 LYS 14 2.971 11.459 1.173 59 HB3 LYS 14 HB3 LYS 14 4.602 11.794 1.731 60 HG2 LYS 14 HG2 LYS 14 2.066 12.232 3.290 61 HG3 LYS 14 HG3 LYS 14 3.232 10.934 3.534 62 HD2 LYS 14 HD2 LYS 14 3.798 13.881 3.863 63 HD3 LYS 14 HD3 LYS 14 3.489 12.748 5.178 64 HE2 LYS 14 HE2 LYS 14 5.467 11.463 4.537 65 HE3 LYS 14 HE3 LYS 14 5.773 12.587 3.214 66 HZ1 LYS 14 HZ1 LYS 14 6.020 14.360 4.864 67 HZ2 LYS 14 HZ2 LYS 14 7.153 13.125 5.087 68 HZ3 LYS 14 HZ3 LYS 14 5.812 13.234 6.110 69 H ASN 15 H ASN 15 5.806 13.988 0.413 70 HA ASN 15 HA ASN 15 5.068 14.233 -2.391 71 HB2 ASN 15 HB2 ASN 15 6.637 15.865 -1.349 72 HB3 ASN 15 HB3 ASN 15 7.777 14.550 -1.078 73 HD21 ASN 15 HD21 ASN 15 9.355 15.480 -2.356 74 HD22 ASN 15 HD22 ASN 15 9.233 15.552 -4.078 75 H PHE 16 H PHE 16 4.799 12.328 -3.380 76 HA PHE 16 HA PHE 16 6.640 10.137 -2.758 77 HB2 PHE 16 HB2 PHE 16 3.991 10.205 -4.201 78 HB3 PHE 16 HB3 PHE 16 5.014 8.777 -4.141 79 HD1 PHE 16 HD1 PHE 16 5.464 7.692 -1.947 80 HD2 PHE 16 HD2 PHE 16 2.613 10.804 -2.408 81 HE1 PHE 16 HE1 PHE 16 4.417 7.040 0.179 82 HE2 PHE 16 HE2 PHE 16 1.555 10.164 -0.282 83 HZ PHE 16 HZ PHE 16 2.458 8.276 1.016 84 H ASN 17 H ASN 17 8.422 10.237 -3.951 85 HA ASN 17 HA ASN 17 8.033 10.054 -6.840 86 HB2 ASN 17 HB2 ASN 17 8.794 12.374 -6.375 87 HB3 ASN 17 HB3 ASN 17 10.224 11.722 -5.582 88 HD21 ASN 17 HD21 ASN 17 8.787 10.287 -8.432 89 HD22 ASN 17 HD22 ASN 17 10.081 10.682 -9.514 90 H ILE 18 H ILE 18 8.364 7.901 -6.810 91 HA ILE 18 HA ILE 18 10.930 6.940 -5.728 92 HB ILE 18 HB ILE 18 8.388 5.313 -5.717 93 HG12 ILE 18 HG12 ILE 18 9.534 6.990 -3.471 94 HG13 ILE 18 HG13 ILE 18 8.023 7.286 -4.314 95 HG21 ILE 18 HG21 ILE 18 10.995 5.012 -4.226 96 HG22 ILE 18 HG22 ILE 18 10.485 4.065 -5.622 97 HG23 ILE 18 HG23 ILE 18 9.604 3.936 -4.100 98 HD11 ILE 18 HD11 ILE 18 8.661 4.964 -2.516 99 HD12 ILE 18 HD12 ILE 18 7.170 5.141 -3.441 100 HD13 ILE 18 HD13 ILE 18 7.568 6.310 -2.181 101 H ALA 19 H ALA 19 12.133 6.373 -7.430 102 HA ALA 19 HA ALA 19 11.203 5.494 -9.935 103 HB1 ALA 19 HB1 ALA 19 13.836 4.852 -8.598 104 HB2 ALA 19 HB2 ALA 19 13.497 6.316 -9.519 105 HB3 ALA 19 HB3 ALA 19 13.484 4.747 -10.323 106 H ALA 20 H ALA 20 11.121 3.321 -10.798 107 HA ALA 20 HA ALA 20 9.685 1.630 -9.066 108 HB1 ALA 20 HB1 ALA 20 10.904 0.966 -11.742 109 HB2 ALA 20 HB2 ALA 20 9.327 1.714 -11.489 110 HB3 ALA 20 HB3 ALA 20 9.623 0.069 -10.928 111 H GLN 21 H GLN 21 10.738 0.871 -7.349 112 HA GLN 21 HA GLN 21 13.095 -0.825 -7.775 113 HB2 GLN 21 HB2 GLN 21 11.952 0.371 -5.240 114 HB3 GLN 21 HB3 GLN 21 13.367 -0.672 -5.309 115 HG2 GLN 21 HG2 GLN 21 14.579 0.950 -6.584 116 HG3 GLN 21 HG3 GLN 21 13.145 1.963 -6.739 117 HE21 GLN 21 HE21 GLN 21 14.129 3.717 -5.809 118 HE22 GLN 21 HE22 GLN 21 14.488 3.808 -4.122 119 HA PRO 22 HA PRO 22 10.766 -4.543 -6.538 120 HB2 PRO 22 HB2 PRO 22 12.764 -4.827 -4.350 121 HB3 PRO 22 HB3 PRO 22 12.241 -6.013 -5.550 122 HG2 PRO 22 HG2 PRO 22 14.615 -4.843 -5.768 123 HG3 PRO 22 HG3 PRO 22 13.619 -5.145 -7.205 124 HD2 PRO 22 HD2 PRO 22 14.081 -2.592 -5.718 125 HD3 PRO 22 HD3 PRO 22 13.939 -2.869 -7.466 126 H LEU 23 H LEU 23 9.187 -4.954 -5.020 127 HA LEU 23 HA LEU 23 8.202 -2.660 -3.792 128 HB2 LEU 23 HB2 LEU 23 7.377 -5.455 -4.013 129 HB3 LEU 23 HB3 LEU 23 6.721 -4.615 -2.632 130 HG LEU 23 HG LEU 23 6.456 -3.760 -5.506 131 HD11 LEU 23 HD11 LEU 23 4.102 -4.312 -5.237 132 HD12 LEU 23 HD12 LEU 23 4.405 -4.845 -3.585 133 HD13 LEU 23 HD13 LEU 23 5.110 -5.726 -4.937 134 HD21 LEU 23 HD21 LEU 23 4.897 -2.074 -4.624 135 HD22 LEU 23 HD22 LEU 23 6.544 -1.824 -4.060 136 HD23 LEU 23 HD23 LEU 23 5.345 -2.538 -2.984 137 H GLN 24 H GLN 24 10.183 -5.176 -2.400 138 HA GLN 24 HA GLN 24 9.688 -4.536 0.309 139 HB2 GLN 24 HB2 GLN 24 12.166 -5.677 -0.991 140 HB3 GLN 24 HB3 GLN 24 11.926 -5.559 0.745 141 HG2 GLN 24 HG2 GLN 24 11.267 -7.695 0.450 142 HG3 GLN 24 HG3 GLN 24 9.724 -6.900 0.152 143 HE21 GLN 24 HE21 GLN 24 10.791 -9.468 -0.761 144 HE22 GLN 24 HE22 GLN 24 10.695 -9.447 -2.491 145 H SER 25 H SER 25 12.313 -3.531 -1.873 146 HA SER 25 HA SER 25 13.414 -1.632 -0.105 147 HB2 SER 25 HB2 SER 25 14.692 -2.574 -1.978 148 HB3 SER 25 HB3 SER 25 13.608 -1.788 -3.125 149 HG SER 25 HG SER 25 14.583 0.061 -2.802 150 H ALA 26 H ALA 26 10.906 -1.456 -2.562 151 HA ALA 26 HA ALA 26 10.707 1.278 -2.950 152 HB1 ALA 26 HB1 ALA 26 8.427 0.885 -3.647 153 HB2 ALA 26 HB2 ALA 26 8.413 -0.674 -2.818 154 HB3 ALA 26 HB3 ALA 26 9.459 -0.427 -4.219 155 H MET 27 H MET 27 8.965 -0.681 -0.536 156 HA MET 27 HA MET 27 7.824 1.656 0.705 157 HB2 MET 27 HB2 MET 27 7.953 -1.115 1.872 158 HB3 MET 27 HB3 MET 27 6.814 0.162 2.262 159 HG2 MET 27 HG2 MET 27 5.825 -0.032 0.044 160 HG3 MET 27 HG3 MET 27 6.986 -1.293 -0.364 161 HE1 MET 27 HE1 MET 27 5.300 -3.002 -1.054 162 HE2 MET 27 HE2 MET 27 3.953 -1.893 -0.794 163 HE3 MET 27 HE3 MET 27 3.901 -3.520 -0.115 164 H LEU 28 H LEU 28 10.593 -0.423 1.263 165 HA LEU 28 HA LEU 28 11.300 0.493 3.801 166 HB2 LEU 28 HB2 LEU 28 12.372 -1.395 2.721 167 HB3 LEU 28 HB3 LEU 28 13.051 -0.347 1.492 168 HG LEU 28 HG LEU 28 13.778 0.025 4.384 169 HD11 LEU 28 HD11 LEU 28 14.167 -2.329 3.902 170 HD12 LEU 28 HD12 LEU 28 15.699 -1.460 4.005 171 HD13 LEU 28 HD13 LEU 28 15.038 -1.900 2.430 172 HD21 LEU 28 HD21 LEU 28 14.416 1.753 2.775 173 HD22 LEU 28 HD22 LEU 28 15.244 0.539 1.797 174 HD23 LEU 28 HD23 LEU 28 15.830 0.916 3.417 175 H ARG 29 H ARG 29 11.648 1.978 0.649 176 HA ARG 29 HA ARG 29 13.274 4.143 1.476 177 HB2 ARG 29 HB2 ARG 29 11.303 4.002 -0.811 178 HB3 ARG 29 HB3 ARG 29 12.536 5.236 -0.608 179 HG2 ARG 29 HG2 ARG 29 13.005 2.296 -1.058 180 HG3 ARG 29 HG3 ARG 29 13.236 3.590 -2.234 181 HD2 ARG 29 HD2 ARG 29 15.078 4.466 -1.065 182 HD3 ARG 29 HD3 ARG 29 14.698 3.547 0.389 183 HE ARG 29 HE ARG 29 15.154 1.645 -1.508 184 HH11 ARG 29 HH11 ARG 29 16.990 4.366 -0.281 185 HH12 ARG 29 HH12 ARG 29 18.526 3.588 -0.504 186 HH21 ARG 29 HH21 ARG 29 17.173 0.613 -1.775 187 HH22 ARG 29 HH22 ARG 29 18.628 1.452 -1.339 188 H PHE 30 H PHE 30 9.761 4.056 0.816 189 HA PHE 30 HA PHE 30 9.388 6.671 1.919 190 HB2 PHE 30 HB2 PHE 30 7.863 6.131 0.220 191 HB3 PHE 30 HB3 PHE 30 7.515 4.547 0.907 192 HD1 PHE 30 HD2 PHE 30 7.285 8.133 1.913 193 HD2 PHE 30 HD1 PHE 30 5.476 4.287 1.919 194 HE1 PHE 30 HE2 PHE 30 5.331 9.065 3.080 195 HE2 PHE 30 HE1 PHE 30 3.519 5.206 3.092 196 HZ PHE 30 HZ PHE 30 3.445 7.599 3.674 197 H ALA 31 H ALA 31 8.409 3.431 2.992 198 HA ALA 31 HA ALA 31 6.848 4.298 5.138 199 HB1 ALA 31 HB1 ALA 31 6.879 1.978 5.882 200 HB2 ALA 31 HB2 ALA 31 8.200 1.633 4.768 201 HB3 ALA 31 HB3 ALA 31 6.616 2.092 4.143 202 H GLU 32 H GLU 32 10.306 3.462 5.016 203 HA GLU 32 HA GLU 32 10.656 3.311 7.804 204 HB2 GLU 32 HB2 GLU 32 12.613 4.032 5.639 205 HB3 GLU 32 HB3 GLU 32 13.073 3.939 7.333 206 HG2 GLU 32 HG2 GLU 32 11.982 1.563 7.177 207 HG3 GLU 32 HG3 GLU 32 12.296 1.769 5.455 208 H GLN 33 H GLN 33 10.566 6.112 5.679 209 HA GLN 33 HA GLN 33 11.347 7.905 7.808 210 HB2 GLN 33 HB2 GLN 33 10.498 8.288 4.961 211 HB3 GLN 33 HB3 GLN 33 10.470 9.654 6.066 212 HG2 GLN 33 HG2 GLN 33 12.539 9.816 5.042 213 HG3 GLN 33 HG3 GLN 33 12.901 9.046 6.582 214 HE21 GLN 33 HE21 GLN 33 13.489 6.863 6.610 215 HE22 GLN 33 HE22 GLN 33 14.026 6.049 5.179 216 H ALA 34 H ALA 34 8.550 6.287 7.010 217 HA ALA 34 HA ALA 34 6.844 8.322 8.281 218 HB1 ALA 34 HB1 ALA 34 6.115 7.609 6.058 219 HB2 ALA 34 HB2 ALA 34 4.948 7.139 7.296 220 HB3 ALA 34 HB3 ALA 34 6.046 5.937 6.615 221 H GLY 35 H GLY 35 8.677 5.902 9.240 222 HA2 GLY 35 HA2 GLY 35 8.733 4.787 11.263 223 HA3 GLY 35 HA3 GLY 35 7.146 5.446 11.625 224 H MET 36 H MET 36 7.826 3.616 8.721 225 HA MET 36 HA MET 36 6.434 1.294 9.857 226 HB2 MET 36 HB2 MET 36 5.753 2.708 7.279 227 HB3 MET 36 HB3 MET 36 5.198 1.084 7.659 228 HG2 MET 36 HG2 MET 36 4.054 1.968 9.646 229 HG3 MET 36 HG3 MET 36 4.575 3.591 9.203 230 HE1 MET 36 HE1 MET 36 3.706 4.906 7.083 231 HE2 MET 36 HE2 MET 36 2.630 4.212 5.871 232 HE3 MET 36 HE3 MET 36 4.272 3.597 6.044 233 H GLN 37 H GLN 37 6.502 -0.562 8.166 234 HA GLN 37 HA GLN 37 8.780 -0.640 6.422 235 HB2 GLN 37 HB2 GLN 37 9.743 -0.962 8.753 236 HB3 GLN 37 HB3 GLN 37 8.825 -2.458 8.839 237 HG2 GLN 37 HG2 GLN 37 10.059 -3.371 6.976 238 HG3 GLN 37 HG3 GLN 37 10.924 -1.848 6.757 239 HE21 GLN 37 HE21 GLN 37 12.938 -2.770 7.082 240 HE22 GLN 37 HE22 GLN 37 13.471 -3.333 8.625 241 H VAL 38 H VAL 38 8.934 -2.887 5.421 242 HA VAL 38 HA VAL 38 6.282 -3.613 4.634 243 HB VAL 38 HB VAL 38 7.371 -5.203 3.115 244 HG11 VAL 38 HG11 VAL 38 8.716 -2.511 3.165 245 HG12 VAL 38 HG12 VAL 38 7.173 -2.896 2.400 246 HG13 VAL 38 HG13 VAL 38 8.665 -3.605 1.783 247 HG21 VAL 38 HG21 VAL 38 9.818 -5.361 3.009 248 HG22 VAL 38 HG22 VAL 38 9.187 -5.961 4.542 249 HG23 VAL 38 HG23 VAL 38 9.937 -4.366 4.461 250 H PHE 39 H PHE 39 5.219 -5.571 4.935 251 HA PHE 39 HA PHE 39 6.552 -7.619 6.523 252 HB2 PHE 39 HB2 PHE 39 5.341 -6.367 8.204 253 HB3 PHE 39 HB3 PHE 39 3.864 -6.435 7.244 254 HD1 PHE 39 HD2 PHE 39 6.391 -8.744 8.728 255 HD2 PHE 39 HD1 PHE 39 2.306 -8.039 7.782 256 HE1 PHE 39 HE2 PHE 39 5.777 -10.865 9.810 257 HE2 PHE 39 HE1 PHE 39 1.683 -10.157 8.860 258 HZ PHE 39 HZ PHE 39 3.420 -11.575 9.876 259 H PHE 40 H PHE 40 6.389 -9.445 5.517 260 HA PHE 40 HA PHE 40 3.869 -10.472 4.650 261 HB2 PHE 40 HB2 PHE 40 4.513 -10.910 2.317 262 HB3 PHE 40 HB3 PHE 40 4.461 -9.184 2.642 263 HD1 PHE 40 HD1 PHE 40 6.585 -7.919 2.894 264 HD2 PHE 40 HD2 PHE 40 6.503 -11.980 1.622 265 HE1 PHE 40 HE1 PHE 40 8.868 -7.686 2.013 266 HE2 PHE 40 HE2 PHE 40 8.787 -11.754 0.741 267 HZ PHE 40 HZ PHE 40 9.973 -9.605 0.936 268 H ASP 41 H ASP 41 3.908 -12.715 4.551 269 HA ASP 41 HA ASP 41 6.519 -13.953 5.114 270 HB2 ASP 41 HB2 ASP 41 5.031 -13.854 7.129 271 HB3 ASP 41 HB3 ASP 41 3.873 -14.858 6.262 272 H GLU 42 H GLU 42 3.203 -14.764 4.155 273 HA GLU 42 HA GLU 42 4.336 -16.326 1.938 274 HB2 GLU 42 HB2 GLU 42 1.950 -17.074 3.636 275 HB3 GLU 42 HB3 GLU 42 2.429 -17.905 2.163 276 HG2 GLU 42 HG2 GLU 42 4.585 -18.462 3.220 277 HG3 GLU 42 HG3 GLU 42 4.019 -17.707 4.709 278 H VAL 43 H VAL 43 4.040 -14.636 0.532 279 HA VAL 43 HA VAL 43 1.248 -14.072 -0.196 280 HB VAL 43 HB VAL 43 1.891 -11.757 -0.794 281 HG11 VAL 43 HG11 VAL 43 0.849 -12.163 1.357 282 HG12 VAL 43 HG12 VAL 43 2.037 -10.865 1.487 283 HG13 VAL 43 HG13 VAL 43 2.424 -12.480 2.082 284 HG21 VAL 43 HG21 VAL 43 4.503 -12.415 0.567 285 HG22 VAL 43 HG22 VAL 43 4.005 -10.817 0.013 286 HG23 VAL 43 HG23 VAL 43 4.279 -12.110 -1.156 287 H LYS 44 H LYS 44 1.842 -12.498 -2.440 288 HA LYS 44 HA LYS 44 2.299 -14.264 -4.487 289 HB2 LYS 44 HB2 LYS 44 1.386 -11.992 -4.785 290 HB3 LYS 44 HB3 LYS 44 2.971 -11.315 -4.443 291 HG2 LYS 44 HG2 LYS 44 3.874 -12.369 -6.436 292 HG3 LYS 44 HG3 LYS 44 2.307 -13.106 -6.772 293 HD2 LYS 44 HD2 LYS 44 2.663 -11.120 -8.147 294 HD3 LYS 44 HD3 LYS 44 1.316 -10.886 -7.034 295 HE2 LYS 44 HE2 LYS 44 2.647 -9.531 -5.592 296 HE3 LYS 44 HE3 LYS 44 4.117 -9.931 -6.479 297 HZ1 LYS 44 HZ1 LYS 44 1.822 -8.457 -7.641 298 HZ2 LYS 44 HZ2 LYS 44 3.334 -8.714 -8.358 299 HZ3 LYS 44 HZ3 LYS 44 3.199 -7.713 -7.003 300 H LEU 45 H LEU 45 4.021 -14.953 -5.648 301 HA LEU 45 HA LEU 45 6.436 -15.492 -4.492 302 HB2 LEU 45 HB2 LEU 45 5.606 -16.569 -6.526 303 HB3 LEU 45 HB3 LEU 45 5.858 -15.086 -7.426 304 HG LEU 45 HG LEU 45 8.308 -15.290 -6.941 305 HD11 LEU 45 HD11 LEU 45 7.485 -18.003 -5.921 306 HD12 LEU 45 HD12 LEU 45 8.200 -16.697 -4.975 307 HD13 LEU 45 HD13 LEU 45 9.142 -17.490 -6.238 308 HD21 LEU 45 HD21 LEU 45 7.024 -17.575 -8.427 309 HD22 LEU 45 HD22 LEU 45 8.694 -17.038 -8.603 310 HD23 LEU 45 HD23 LEU 45 7.369 -15.974 -9.079 311 H ASP 46 H ASP 46 8.273 -14.456 -4.116 312 HA ASP 46 HA ASP 46 8.541 -11.698 -4.282 313 HB2 ASP 46 HB2 ASP 46 9.878 -12.986 -2.732 314 HB3 ASP 46 HB3 ASP 46 10.677 -13.824 -4.055 315 H GLY 47 H GLY 47 9.958 -10.393 -5.541 316 HA2 GLY 47 HA2 GLY 47 11.129 -10.156 -7.702 317 HA3 GLY 47 HA3 GLY 47 9.988 -11.337 -8.342 318 H MET 48 H MET 48 8.687 -9.227 -6.061 319 HA MET 48 HA MET 48 7.018 -8.006 -8.086 320 HB2 MET 48 HB2 MET 48 5.811 -7.099 -6.049 321 HB3 MET 48 HB3 MET 48 5.809 -8.843 -6.232 322 HG2 MET 48 HG2 MET 48 7.591 -9.035 -4.589 323 HG3 MET 48 HG3 MET 48 7.633 -7.284 -4.417 324 HE1 MET 48 HE1 MET 48 6.083 -8.511 -1.021 325 HE2 MET 48 HE2 MET 48 7.379 -7.580 -1.774 326 HE3 MET 48 HE3 MET 48 7.318 -9.332 -1.975 327 H GLN 49 H GLN 49 6.954 -5.858 -8.561 328 HA GLN 49 HA GLN 49 8.898 -4.118 -7.238 329 HB2 GLN 49 HB2 GLN 49 9.806 -3.391 -9.402 330 HB3 GLN 49 HB3 GLN 49 10.078 -5.107 -9.136 331 HG2 GLN 49 HG2 GLN 49 8.039 -5.538 -10.539 332 HG3 GLN 49 HG3 GLN 49 8.060 -3.824 -10.951 333 HE21 GLN 49 HE21 GLN 49 8.369 -6.121 -12.682 334 HE22 GLN 49 HE22 GLN 49 9.904 -5.948 -13.457 335 H ALA 50 H ALA 50 8.526 -1.904 -7.530 336 HA ALA 50 HA ALA 50 5.712 -1.284 -7.899 337 HB1 ALA 50 HB1 ALA 50 6.904 -0.447 -5.926 338 HB2 ALA 50 HB2 ALA 50 6.287 0.876 -6.918 339 HB3 ALA 50 HB3 ALA 50 7.999 0.454 -6.973 340 H ALA 51 H ALA 51 5.526 1.154 -8.824 341 HA ALA 51 HA ALA 51 6.856 1.122 -11.450 342 HB1 ALA 51 HB1 ALA 51 4.429 0.886 -11.595 343 HB2 ALA 51 HB2 ALA 51 4.950 2.430 -12.269 344 HB3 ALA 51 HB3 ALA 51 4.222 2.370 -10.664 345 H ALA 52 H ALA 52 7.138 3.362 -12.386 346 HA ALA 52 HA ALA 52 8.645 4.994 -10.646 347 HB1 ALA 52 HB1 ALA 52 8.741 6.570 -12.519 348 HB2 ALA 52 HB2 ALA 52 7.487 5.656 -13.354 349 HB3 ALA 52 HB3 ALA 52 9.060 4.920 -13.052 350 H LEU 53 H LEU 53 7.561 5.745 -8.922 351 HA LEU 53 HA LEU 53 4.884 6.823 -9.207 352 HB2 LEU 53 HB2 LEU 53 5.443 5.299 -7.364 353 HB3 LEU 53 HB3 LEU 53 6.631 6.446 -6.777 354 HG LEU 53 HG LEU 53 4.809 8.072 -6.352 355 HD11 LEU 53 HD11 LEU 53 3.185 7.296 -7.972 356 HD12 LEU 53 HD12 LEU 53 2.490 7.247 -6.352 357 HD13 LEU 53 HD13 LEU 53 3.034 5.758 -7.123 358 HD21 LEU 53 HD21 LEU 53 4.486 5.384 -5.024 359 HD22 LEU 53 HD22 LEU 53 3.914 6.927 -4.388 360 HD23 LEU 53 HD23 LEU 53 5.646 6.635 -4.572 361 H ASN 54 H ASN 54 4.445 8.909 -9.427 362 HA ASN 54 HA ASN 54 6.158 10.891 -8.144 363 HB2 ASN 54 HB2 ASN 54 6.957 10.646 -10.507 364 HB3 ASN 54 HB3 ASN 54 5.354 11.122 -11.055 365 HD21 ASN 54 HD21 ASN 54 8.319 12.166 -9.614 366 HD22 ASN 54 HD22 ASN 54 8.019 13.864 -9.729 367 H GLY 55 H GLY 55 4.634 11.603 -6.742 368 HA2 GLY 55 HA2 GLY 55 2.513 13.224 -7.731 369 HA3 GLY 55 HA3 GLY 55 1.894 11.689 -7.146 370 H SER 56 H SER 56 1.409 14.361 -6.133 371 HA SER 56 HA SER 56 2.586 14.157 -3.443 372 HB2 SER 56 HB2 SER 56 1.097 16.486 -4.684 373 HB3 SER 56 HB3 SER 56 1.999 16.492 -3.169 374 HG SER 56 HG SER 56 3.428 15.662 -5.385 375 H MET 57 H MET 57 1.304 13.089 -2.045 376 HA MET 57 HA MET 57 -1.526 13.523 -1.908 377 HB2 MET 57 HB2 MET 57 -2.049 11.086 -2.485 378 HB3 MET 57 HB3 MET 57 -1.690 12.163 -3.830 379 HG2 MET 57 HG2 MET 57 0.651 11.328 -3.789 380 HG3 MET 57 HG3 MET 57 0.162 10.157 -2.568 381 HE1 MET 57 HE1 MET 57 1.461 9.757 -5.710 382 HE2 MET 57 HE2 MET 57 0.744 8.164 -5.949 383 HE3 MET 57 HE3 MET 57 1.436 8.594 -4.387 384 H SER 58 H SER 58 -2.492 11.520 -0.549 385 HA SER 58 HA SER 58 -0.907 11.504 1.874 386 HB2 SER 58 HB2 SER 58 -3.667 10.395 1.320 387 HB3 SER 58 HB3 SER 58 -2.927 10.563 2.910 388 HG SER 58 HG SER 58 -3.760 12.485 2.896 389 H VAL 59 H VAL 59 -1.003 9.356 3.186 390 HA VAL 59 HA VAL 59 0.596 7.452 1.903 391 HB VAL 59 HB VAL 59 -1.126 6.937 4.327 392 HG11 VAL 59 HG11 VAL 59 1.483 5.721 3.422 393 HG12 VAL 59 HG12 VAL 59 -0.095 4.937 3.383 394 HG13 VAL 59 HG13 VAL 59 0.647 5.352 4.930 395 HG21 VAL 59 HG21 VAL 59 0.120 8.984 4.676 396 HG22 VAL 59 HG22 VAL 59 1.609 8.196 4.157 397 HG23 VAL 59 HG23 VAL 59 0.817 7.688 5.649 398 H GLU 60 H GLU 60 -2.861 7.355 2.660 399 HA GLU 60 HA GLU 60 -3.506 4.845 1.725 400 HB2 GLU 60 HB2 GLU 60 -5.084 7.414 1.615 401 HB3 GLU 60 HB3 GLU 60 -5.770 5.845 1.218 402 HG2 GLU 60 HG2 GLU 60 -5.629 5.090 3.407 403 HG3 GLU 60 HG3 GLU 60 -4.442 6.312 3.854 404 H GLN 61 H GLN 61 -3.634 7.873 -0.130 405 HA GLN 61 HA GLN 61 -4.272 6.684 -2.607 406 HB2 GLN 61 HB2 GLN 61 -2.823 9.291 -2.132 407 HB3 GLN 61 HB3 GLN 61 -3.724 8.840 -3.571 408 HG2 GLN 61 HG2 GLN 61 -5.792 8.919 -2.380 409 HG3 GLN 61 HG3 GLN 61 -4.954 9.140 -0.845 410 HE21 GLN 61 HE21 GLN 61 -5.926 10.634 -3.821 411 HE22 GLN 61 HE22 GLN 61 -5.601 12.264 -3.343 412 H GLY 62 H GLY 62 -1.212 7.639 -1.131 413 HA2 GLY 62 HA2 GLY 62 0.457 7.346 -3.334 414 HA3 GLY 62 HA3 GLY 62 0.964 7.190 -1.661 415 H LEU 63 H LEU 63 -0.211 4.953 -0.789 416 HA LEU 63 HA LEU 63 1.474 2.975 -1.851 417 HB2 LEU 63 HB2 LEU 63 -0.743 2.999 0.130 418 HB3 LEU 63 HB3 LEU 63 -0.206 1.452 -0.483 419 HG LEU 63 HG LEU 63 0.837 2.020 1.654 420 HD11 LEU 63 HD11 LEU 63 2.784 2.006 -0.649 421 HD12 LEU 63 HD12 LEU 63 2.054 0.589 0.101 422 HD13 LEU 63 HD13 LEU 63 3.163 1.601 1.022 423 HD21 LEU 63 HD21 LEU 63 2.489 3.818 1.790 424 HD22 LEU 63 HD22 LEU 63 0.875 4.440 1.455 425 HD23 LEU 63 HD23 LEU 63 2.064 4.330 0.157 426 H ARG 64 H ARG 64 -1.778 3.875 -2.683 427 HA ARG 64 HA ARG 64 -2.626 1.461 -3.836 428 HB2 ARG 64 HB2 ARG 64 -3.403 4.309 -4.481 429 HB3 ARG 64 HB3 ARG 64 -4.224 2.895 -5.134 430 HG2 ARG 64 HG2 ARG 64 -4.867 2.205 -2.906 431 HG3 ARG 64 HG3 ARG 64 -3.973 3.555 -2.207 432 HD2 ARG 64 HD2 ARG 64 -6.284 4.142 -2.252 433 HD3 ARG 64 HD3 ARG 64 -5.460 5.100 -3.477 434 HE ARG 64 HE ARG 64 -6.325 3.302 -5.075 435 HH11 ARG 64 HH11 ARG 64 -8.004 4.273 -2.150 436 HH12 ARG 64 HH12 ARG 64 -9.575 3.887 -2.776 437 HH21 ARG 64 HH21 ARG 64 -8.417 2.830 -5.905 438 HH22 ARG 64 HH22 ARG 64 -9.815 3.117 -4.899 439 H ARG 65 H ARG 65 -1.377 4.352 -5.486 440 HA ARG 65 HA ARG 65 -1.028 2.945 -7.952 441 HB2 ARG 65 HB2 ARG 65 -1.557 5.287 -8.013 442 HB3 ARG 65 HB3 ARG 65 -0.173 5.684 -7.009 443 HG2 ARG 65 HG2 ARG 65 1.339 5.325 -8.750 444 HG3 ARG 65 HG3 ARG 65 0.161 4.423 -9.705 445 HD2 ARG 65 HD2 ARG 65 0.640 6.760 -10.501 446 HD3 ARG 65 HD3 ARG 65 -1.057 6.385 -10.226 447 HE ARG 65 HE ARG 65 -0.559 7.523 -7.942 448 HH11 ARG 65 HH11 ARG 65 0.736 8.455 -11.055 449 HH12 ARG 65 HH12 ARG 65 0.831 10.141 -10.657 450 HH21 ARG 65 HH21 ARG 65 -0.445 9.760 -7.419 451 HH22 ARG 65 HH22 ARG 65 0.160 10.883 -8.596 452 H LEU 66 H LEU 66 0.901 3.503 -5.156 453 HA LEU 66 HA LEU 66 3.471 3.148 -6.277 454 HB2 LEU 66 HB2 LEU 66 2.848 4.069 -3.982 455 HB3 LEU 66 HB3 LEU 66 2.632 2.408 -3.478 456 HG LEU 66 HG LEU 66 5.256 3.454 -4.547 457 HD11 LEU 66 HD11 LEU 66 4.324 3.260 -1.686 458 HD12 LEU 66 HD12 LEU 66 4.631 4.748 -2.583 459 HD13 LEU 66 HD13 LEU 66 5.961 3.650 -2.213 460 HD21 LEU 66 HD21 LEU 66 4.998 1.021 -4.583 461 HD22 LEU 66 HD22 LEU 66 4.568 1.038 -2.872 462 HD23 LEU 66 HD23 LEU 66 6.186 1.521 -3.381 463 H ILE 67 H ILE 67 1.269 0.843 -4.642 464 HA ILE 67 HA ILE 67 3.240 -1.237 -4.906 465 HB ILE 67 HB ILE 67 0.438 -1.321 -3.802 466 HG12 ILE 67 HG12 ILE 67 3.141 -1.287 -2.444 467 HG13 ILE 67 HG13 ILE 67 1.999 0.051 -2.497 468 HG21 ILE 67 HG21 ILE 67 1.094 -3.519 -4.631 469 HG22 ILE 67 HG22 ILE 67 1.040 -3.503 -2.868 470 HG23 ILE 67 HG23 ILE 67 2.591 -3.432 -3.704 471 HD11 ILE 67 HD11 ILE 67 1.365 -2.609 -1.253 472 HD12 ILE 67 HD12 ILE 67 0.457 -1.104 -1.117 473 HD13 ILE 67 HD13 ILE 67 2.040 -1.250 -0.361 474 H GLY 68 H GLY 68 -0.193 -1.085 -5.934 475 HA2 GLY 68 HA2 GLY 68 0.547 -3.181 -7.872 476 HA3 GLY 68 HA3 GLY 68 -0.996 -3.128 -7.044 477 H GLY 69 H GLY 69 -1.982 -0.721 -7.402 478 HA2 GLY 69 HA2 GLY 69 -3.067 0.551 -9.035 479 HA3 GLY 69 HA3 GLY 69 -2.083 -0.232 -10.271 480 H ASN 70 H ASN 70 -2.672 -2.855 -9.022 481 HA ASN 70 HA ASN 70 -5.389 -3.289 -10.029 482 HB2 ASN 70 HB2 ASN 70 -4.780 -5.654 -10.182 483 HB3 ASN 70 HB3 ASN 70 -3.607 -4.675 -11.047 484 HD21 ASN 70 HD21 ASN 70 -1.521 -4.489 -10.240 485 HD22 ASN 70 HD22 ASN 70 -0.900 -5.569 -9.039 486 HA PRO 71 HA PRO 71 -7.180 -4.081 -6.071 487 HB2 PRO 71 HB2 PRO 71 -7.774 -6.884 -6.876 488 HB3 PRO 71 HB3 PRO 71 -8.859 -5.634 -6.258 489 HG2 PRO 71 HG2 PRO 71 -8.888 -6.263 -8.834 490 HG3 PRO 71 HG3 PRO 71 -9.021 -4.570 -8.320 491 HD2 PRO 71 HD2 PRO 71 -6.659 -6.035 -9.429 492 HD3 PRO 71 HD3 PRO 71 -7.211 -4.378 -9.753 493 H VAL 72 H VAL 72 -5.408 -4.031 -4.750 494 HA VAL 72 HA VAL 72 -4.634 -6.621 -3.602 495 HB VAL 72 HB VAL 72 -2.701 -4.297 -3.858 496 HG11 VAL 72 HG11 VAL 72 -1.009 -5.952 -3.213 497 HG12 VAL 72 HG12 VAL 72 -2.277 -7.167 -3.042 498 HG13 VAL 72 HG13 VAL 72 -2.255 -5.759 -1.979 499 HG21 VAL 72 HG21 VAL 72 -2.781 -6.797 -5.538 500 HG22 VAL 72 HG22 VAL 72 -1.510 -5.575 -5.565 501 HG23 VAL 72 HG23 VAL 72 -3.143 -5.162 -6.089 502 H ALA 73 H ALA 73 -4.019 -6.324 -1.260 503 HA ALA 73 HA ALA 73 -5.382 -3.948 -0.176 504 HB1 ALA 73 HB1 ALA 73 -5.152 -6.684 1.059 505 HB2 ALA 73 HB2 ALA 73 -6.584 -6.019 0.272 506 HB3 ALA 73 HB3 ALA 73 -5.979 -5.294 1.761 507 H PHE 74 H PHE 74 -4.069 -2.546 0.768 508 HA PHE 74 HA PHE 74 -1.714 -3.579 2.186 509 HB2 PHE 74 HB2 PHE 74 -0.654 -1.450 1.950 510 HB3 PHE 74 HB3 PHE 74 -1.285 -1.879 0.369 511 HD1 PHE 74 HD1 PHE 74 -3.653 -0.879 -0.179 512 HD2 PHE 74 HD2 PHE 74 -1.008 0.674 2.762 513 HE1 PHE 74 HE1 PHE 74 -4.788 1.291 -0.323 514 HE2 PHE 74 HE2 PHE 74 -2.132 2.869 2.619 515 HZ PHE 74 HZ PHE 74 -4.033 3.164 1.077 516 H ARG 75 H ARG 75 -1.697 -3.506 4.315 517 HA ARG 75 HA ARG 75 -3.737 -1.851 5.649 518 HB2 ARG 75 HB2 ARG 75 -2.584 -4.467 6.630 519 HB3 ARG 75 HB3 ARG 75 -3.860 -3.532 7.399 520 HG2 ARG 75 HG2 ARG 75 -4.008 -4.908 4.732 521 HG3 ARG 75 HG3 ARG 75 -4.800 -5.421 6.223 522 HD2 ARG 75 HD2 ARG 75 -5.329 -2.890 4.669 523 HD3 ARG 75 HD3 ARG 75 -6.385 -4.296 4.772 524 HE ARG 75 HE ARG 75 -6.564 -3.771 7.198 525 HH11 ARG 75 HH11 ARG 75 -5.742 -1.251 4.901 526 HH12 ARG 75 HH12 ARG 75 -6.359 0.028 5.899 527 HH21 ARG 75 HH21 ARG 75 -7.363 -2.088 8.507 528 HH22 ARG 75 HH22 ARG 75 -7.282 -0.448 7.945 529 H LEU 76 H LEU 76 -2.912 -0.237 6.715 530 HA LEU 76 HA LEU 76 -0.098 -0.241 7.467 531 HB2 LEU 76 HB2 LEU 76 -2.158 1.938 7.840 532 HB3 LEU 76 HB3 LEU 76 -0.417 2.110 7.920 533 HG LEU 76 HG LEU 76 -1.922 1.366 5.413 534 HD11 LEU 76 HD11 LEU 76 -1.522 3.663 4.698 535 HD12 LEU 76 HD12 LEU 76 -0.823 4.037 6.273 536 HD13 LEU 76 HD13 LEU 76 -2.529 3.609 6.144 537 HD21 LEU 76 HD21 LEU 76 0.932 2.232 5.867 538 HD22 LEU 76 HD22 LEU 76 0.183 1.925 4.300 539 HD23 LEU 76 HD23 LEU 76 0.395 0.605 5.450 540 H GLN 77 H GLN 77 0.166 -1.472 9.283 541 HA GLN 77 HA GLN 77 -1.855 -1.467 11.339 542 HB2 GLN 77 HB2 GLN 77 -0.693 -3.252 12.309 543 HB3 GLN 77 HB3 GLN 77 -0.429 -3.459 10.588 544 HG2 GLN 77 HG2 GLN 77 1.779 -2.561 10.754 545 HG3 GLN 77 HG3 GLN 77 1.534 -2.175 12.456 546 HE21 GLN 77 HE21 GLN 77 0.361 -5.119 10.979 547 HE22 GLN 77 HE22 GLN 77 1.449 -6.184 11.796 548 HA PRO 78 HA PRO 78 -0.449 1.906 13.795 549 HB2 PRO 78 HB2 PRO 78 -1.135 0.126 16.081 550 HB3 PRO 78 HB3 PRO 78 -1.660 1.779 15.742 551 HG2 PRO 78 HG2 PRO 78 -3.306 -0.267 15.346 552 HG3 PRO 78 HG3 PRO 78 -3.261 1.095 14.211 553 HD2 PRO 78 HD2 PRO 78 -2.119 -1.648 13.929 554 HD3 PRO 78 HD3 PRO 78 -2.871 -0.603 12.707 555 H GLN 79 H GLN 79 0.821 -1.308 14.264 556 HA GLN 79 HA GLN 79 2.922 -0.460 16.039 557 HB2 GLN 79 HB2 GLN 79 2.405 -3.044 14.577 558 HB3 GLN 79 HB3 GLN 79 3.823 -2.783 15.585 559 HG2 GLN 79 HG2 GLN 79 0.968 -2.591 16.517 560 HG3 GLN 79 HG3 GLN 79 2.035 -3.972 16.766 561 HE21 GLN 79 HE21 GLN 79 1.339 -0.683 17.661 562 HE22 GLN 79 HE22 GLN 79 2.349 -0.642 19.064 563 H GLY 80 H GLY 80 2.414 0.074 12.847 564 HA2 GLY 80 HA2 GLY 80 3.850 1.388 11.567 565 HA3 GLY 80 HA3 GLY 80 5.185 0.904 12.594 566 H GLN 81 H GLN 81 2.911 -1.153 10.759 567 HA GLN 81 HA GLN 81 5.111 -1.795 8.931 568 HB2 GLN 81 HB2 GLN 81 3.454 -3.844 10.411 569 HB3 GLN 81 HB3 GLN 81 4.480 -4.217 9.035 570 HG2 GLN 81 HG2 GLN 81 6.440 -3.492 10.281 571 HG3 GLN 81 HG3 GLN 81 5.420 -3.075 11.658 572 HE21 GLN 81 HE21 GLN 81 6.451 -4.505 13.024 573 HE22 GLN 81 HE22 GLN 81 6.263 -6.216 12.895 574 H ILE 82 H ILE 82 4.500 -2.355 6.877 575 HA ILE 82 HA ILE 82 1.687 -1.847 6.221 576 HB ILE 82 HB ILE 82 4.053 -2.017 4.336 577 HG12 ILE 82 HG12 ILE 82 2.662 0.424 5.477 578 HG13 ILE 82 HG13 ILE 82 4.283 -0.121 5.896 579 HG21 ILE 82 HG21 ILE 82 1.908 -2.501 3.279 580 HG22 ILE 82 HG22 ILE 82 2.542 -0.951 2.728 581 HG23 ILE 82 HG23 ILE 82 1.241 -0.999 3.918 582 HD11 ILE 82 HD11 ILE 82 3.387 0.836 3.184 583 HD12 ILE 82 HD12 ILE 82 5.012 0.295 3.601 584 HD13 ILE 82 HD13 ILE 82 4.349 1.749 4.347 585 H VAL 83 H VAL 83 0.544 -3.666 6.319 586 HA VAL 83 HA VAL 83 1.747 -6.217 5.545 587 HB VAL 83 HB VAL 83 -1.013 -5.736 6.675 588 HG11 VAL 83 HG11 VAL 83 0.704 -8.207 6.526 589 HG12 VAL 83 HG12 VAL 83 -0.772 -7.889 5.615 590 HG13 VAL 83 HG13 VAL 83 -0.843 -8.094 7.366 591 HG21 VAL 83 HG21 VAL 83 1.567 -6.280 8.135 592 HG22 VAL 83 HG22 VAL 83 -0.035 -6.396 8.862 593 HG23 VAL 83 HG23 VAL 83 0.551 -4.845 8.262 594 H LEU 84 H LEU 84 1.246 -7.259 3.686 595 HA LEU 84 HA LEU 84 -0.833 -6.028 2.009 596 HB2 LEU 84 HB2 LEU 84 1.775 -7.312 1.302 597 HB3 LEU 84 HB3 LEU 84 0.471 -7.264 0.132 598 HG LEU 84 HG LEU 84 0.439 -4.742 0.486 599 HD11 LEU 84 HD11 LEU 84 1.729 -4.726 2.575 600 HD12 LEU 84 HD12 LEU 84 2.465 -3.720 1.327 601 HD13 LEU 84 HD13 LEU 84 3.142 -5.307 1.693 602 HD21 LEU 84 HD21 LEU 84 2.875 -6.038 -0.725 603 HD22 LEU 84 HD22 LEU 84 2.293 -4.410 -1.071 604 HD23 LEU 84 HD23 LEU 84 1.315 -5.808 -1.515 605 H SER 85 H SER 85 -2.282 -7.268 0.926 606 HA SER 85 HA SER 85 -2.119 -10.169 1.047 607 HB2 SER 85 HB2 SER 85 -4.534 -8.673 2.108 608 HB3 SER 85 HB3 SER 85 -4.359 -10.424 1.994 609 HG SER 85 HG SER 85 -2.268 -9.588 3.329 610 H ARG 86 H ARG 86 -3.340 -11.168 -0.615 611 HA ARG 86 HA ARG 86 -3.978 -9.369 -2.804 612 HB2 ARG 86 HB2 ARG 86 -2.643 -11.522 -3.069 613 HB3 ARG 86 HB3 ARG 86 -4.147 -12.389 -2.807 614 HG2 ARG 86 HG2 ARG 86 -3.896 -10.340 -4.981 615 HG3 ARG 86 HG3 ARG 86 -3.358 -12.002 -5.218 616 HD2 ARG 86 HD2 ARG 86 -5.581 -12.823 -4.749 617 HD3 ARG 86 HD3 ARG 86 -6.136 -11.193 -4.375 618 HE ARG 86 HE ARG 86 -5.113 -11.177 -6.975 619 HH11 ARG 86 HH11 ARG 86 -7.744 -12.663 -5.213 620 HH12 ARG 86 HH12 ARG 86 -8.826 -12.670 -6.568 621 HH21 ARG 86 HH21 ARG 86 -6.530 -11.198 -8.776 622 HH22 ARG 86 HH22 ARG 86 -8.129 -11.845 -8.602 623 H LEU 87 H LEU 87 -5.858 -8.377 -2.275 624 HA LEU 87 HA LEU 87 -8.238 -10.082 -2.043 625 HB2 LEU 87 HB2 LEU 87 -7.723 -7.533 -0.498 626 HB3 LEU 87 HB3 LEU 87 -9.170 -8.518 -0.408 627 HG LEU 87 HG LEU 87 -6.425 -9.454 0.435 628 HD11 LEU 87 HD11 LEU 87 -8.728 -8.485 2.119 629 HD12 LEU 87 HD12 LEU 87 -7.193 -7.651 1.872 630 HD13 LEU 87 HD13 LEU 87 -7.229 -9.195 2.721 631 HD21 LEU 87 HD21 LEU 87 -9.154 -10.658 0.880 632 HD22 LEU 87 HD22 LEU 87 -7.623 -11.294 1.479 633 HD23 LEU 87 HD23 LEU 87 -7.941 -11.251 -0.255 634 HA PRO 88 HA PRO 88 -9.602 -7.614 -5.451 635 HB2 PRO 88 HB2 PRO 88 -12.282 -8.088 -5.255 636 HB3 PRO 88 HB3 PRO 88 -11.130 -9.251 -5.917 637 HG2 PRO 88 HG2 PRO 88 -12.354 -9.133 -3.195 638 HG3 PRO 88 HG3 PRO 88 -12.040 -10.542 -4.223 639 HD2 PRO 88 HD2 PRO 88 -10.446 -9.865 -2.140 640 HD3 PRO 88 HD3 PRO 88 -9.829 -10.663 -3.601 641 H THR 89 H THR 89 -11.093 -5.839 -5.975 642 HA THR 89 HA THR 89 -10.897 -3.733 -4.132 643 HB THR 89 HB THR 89 -12.743 -3.871 -6.521 644 HG1 THR 89 HG1 THR 89 -9.992 -3.103 -6.402 645 HG21 THR 89 HG21 THR 89 -13.091 -1.929 -5.077 646 HG22 THR 89 HG22 THR 89 -12.373 -1.449 -6.614 647 HG23 THR 89 HG23 THR 89 -11.372 -1.546 -5.166 648 H ALA 90 H ALA 90 -12.122 -3.236 -2.440 649 HA ALA 90 HA ALA 90 -14.552 -4.672 -1.896 650 HB1 ALA 90 HB1 ALA 90 -14.545 -3.501 0.237 651 HB2 ALA 90 HB2 ALA 90 -13.243 -2.453 -0.327 652 HB3 ALA 90 HB3 ALA 90 -12.954 -4.178 -0.107 653 H ASN 91 H ASN 91 -16.416 -3.234 -0.886 654 HA ASN 91 HA ASN 91 -17.656 -2.069 -3.101 655 HB2 ASN 91 HB2 ASN 91 -18.929 -3.045 -1.283 656 HB3 ASN 91 HB3 ASN 91 -18.347 -1.812 -0.171 657 HD21 ASN 91 HD21 ASN 91 -20.428 -2.467 -2.899 658 HD22 ASN 91 HD22 ASN 91 -21.385 -1.033 -2.756 659 H GLY 92 H GLY 92 -15.705 -0.601 -0.614 660 HA2 GLY 92 HA2 GLY 92 -16.535 2.031 -0.677 661 HA3 GLY 92 HA3 GLY 92 -14.887 1.526 -0.360 662 H ASP 93 H ASP 93 -14.367 0.426 -2.969 663 HA ASP 93 HA ASP 93 -14.148 2.952 -4.452 664 HB2 ASP 93 HB2 ASP 93 -12.520 0.430 -4.475 665 HB3 ASP 93 HB3 ASP 93 -12.452 1.554 -5.827 666 H GLY 94 H GLY 94 -16.457 0.972 -4.359 667 HA2 GLY 94 HA2 GLY 94 -18.105 0.650 -5.991 668 HA3 GLY 94 HA3 GLY 94 -16.912 0.993 -7.235 669 H GLY 95 H GLY 95 -16.163 -1.265 -4.728 670 HA2 GLY 95 HA2 GLY 95 -16.189 -3.426 -6.701 671 HA3 GLY 95 HA3 GLY 95 -15.358 -3.447 -5.152 672 H ALA 96 H ALA 96 -16.243 -5.415 -4.517 673 HA ALA 96 HA ALA 96 -19.141 -5.697 -4.518 674 HB1 ALA 96 HB1 ALA 96 -16.976 -7.662 -3.791 675 HB2 ALA 96 HB2 ALA 96 -17.834 -7.569 -5.329 676 HB3 ALA 96 HB3 ALA 96 -18.701 -8.020 -3.862 677 H LEU 97 H LEU 97 -20.384 -5.406 -2.796 678 HA LEU 97 HA LEU 97 -19.164 -4.924 -0.198 679 HB2 LEU 97 HB2 LEU 97 -21.473 -4.364 0.519 680 HB3 LEU 97 HB3 LEU 97 -20.905 -3.397 -0.823 681 HG LEU 97 HG LEU 97 -22.210 -5.135 -2.280 682 HD11 LEU 97 HD11 LEU 97 -22.736 -6.691 -0.487 683 HD12 LEU 97 HD12 LEU 97 -24.208 -6.005 -1.173 684 HD13 LEU 97 HD13 LEU 97 -23.604 -5.423 0.377 685 HD21 LEU 97 HD21 LEU 97 -22.740 -2.765 -2.115 686 HD22 LEU 97 HD22 LEU 97 -23.609 -3.054 -0.609 687 HD23 LEU 97 HD23 LEU 97 -24.208 -3.740 -2.118 688 H ALA 98 H ALA 98 -20.626 -7.453 -1.932 689 HA ALA 98 HA ALA 98 -21.445 -9.015 0.321 690 HB1 ALA 98 HB1 ALA 98 -20.843 -9.914 -2.496 691 HB2 ALA 98 HB2 ALA 98 -22.403 -9.316 -1.931 692 HB3 ALA 98 HB3 ALA 98 -21.744 -10.814 -1.276 693 H LEU 99 H LEU 99 -18.514 -8.021 -0.629 694 HA LEU 99 HA LEU 99 -17.209 -10.270 0.713 695 HB2 LEU 99 HB2 LEU 99 -16.258 -8.772 -1.719 696 HB3 LEU 99 HB3 LEU 99 -15.150 -9.646 -0.683 697 HG LEU 99 HG LEU 99 -16.644 -11.699 -1.153 698 HD11 LEU 99 HD11 LEU 99 -17.803 -11.661 -3.296 699 HD12 LEU 99 HD12 LEU 99 -17.455 -9.939 -3.459 700 HD13 LEU 99 HD13 LEU 99 -18.511 -10.506 -2.166 701 HD21 LEU 99 HD21 LEU 99 -14.961 -10.484 -3.335 702 HD22 LEU 99 HD22 LEU 99 -15.398 -12.186 -3.195 703 HD23 LEU 99 HD23 LEU 99 -14.371 -11.437 -1.975 704 H ASP 100 H ASP 100 -18.265 -7.712 1.723 705 HA ASP 100 HA ASP 100 -16.218 -5.841 2.169 706 HB2 ASP 100 HB2 ASP 100 -17.614 -4.861 3.797 707 HB3 ASP 100 HB3 ASP 100 -18.721 -5.581 2.634 708 H SER 101 H SER 101 -16.479 -8.985 3.313 709 HA SER 101 HA SER 101 -15.341 -8.747 5.887 710 HB2 SER 101 HB2 SER 101 -15.168 -11.129 4.037 711 HB3 SER 101 HB3 SER 101 -15.085 -11.133 5.798 712 HG SER 101 HG SER 101 -17.180 -11.672 4.663 713 H LEU 102 H LEU 102 -13.973 -8.245 2.840 714 HA LEU 102 HA LEU 102 -11.375 -9.264 3.132 715 HB2 LEU 102 HB2 LEU 102 -12.202 -6.719 1.732 716 HB3 LEU 102 HB3 LEU 102 -10.718 -7.611 1.462 717 HG LEU 102 HG LEU 102 -13.482 -8.670 0.875 718 HD11 LEU 102 HD11 LEU 102 -11.395 -7.590 -1.008 719 HD12 LEU 102 HD12 LEU 102 -12.900 -6.785 -0.568 720 HD13 LEU 102 HD13 LEU 102 -12.942 -8.304 -1.461 721 HD21 LEU 102 HD21 LEU 102 -12.307 -10.428 -0.326 722 HD22 LEU 102 HD22 LEU 102 -11.834 -10.409 1.372 723 HD23 LEU 102 HD23 LEU 102 -10.759 -9.735 0.148 724 H THR 103 H THR 103 -12.392 -5.884 3.576 725 HA THR 103 HA THR 103 -10.634 -5.752 5.923 726 HB THR 103 HB THR 103 -10.954 -3.506 3.920 727 HG1 THR 103 HG1 THR 103 -9.326 -5.676 3.891 728 HG21 THR 103 HG21 THR 103 -9.107 -3.828 6.290 729 HG22 THR 103 HG22 THR 103 -10.506 -2.758 6.208 730 HG23 THR 103 HG23 THR 103 -9.112 -2.469 5.167 731 H VAL 104 H VAL 104 -12.987 -3.799 4.151 732 HA VAL 104 HA VAL 104 -14.845 -3.763 6.344 733 HB VAL 104 HB VAL 104 -14.956 -1.195 6.194 734 HG11 VAL 104 HG11 VAL 104 -14.263 -2.357 8.217 735 HG12 VAL 104 HG12 VAL 104 -13.297 -0.903 7.974 736 HG13 VAL 104 HG13 VAL 104 -12.618 -2.484 7.594 737 HG21 VAL 104 HG21 VAL 104 -13.497 -0.844 4.320 738 HG22 VAL 104 HG22 VAL 104 -12.168 -1.652 5.153 739 HG23 VAL 104 HG23 VAL 104 -12.772 -0.107 5.749 740 H LEU 105 H LEU 105 -16.688 -2.098 5.628 741 HA LEU 105 HA LEU 105 -17.690 -2.982 3.136 742 HB2 LEU 105 HB2 LEU 105 -19.137 -2.261 4.983 743 HB3 LEU 105 HB3 LEU 105 -18.521 -0.627 4.834 744 HG LEU 105 HG LEU 105 -19.492 -0.525 2.538 745 HD11 LEU 105 HD11 LEU 105 -20.756 -3.142 3.346 746 HD12 LEU 105 HD12 LEU 105 -19.570 -2.911 2.061 747 HD13 LEU 105 HD13 LEU 105 -21.175 -2.193 1.919 748 HD21 LEU 105 HD21 LEU 105 -21.803 -0.261 3.303 749 HD22 LEU 105 HD22 LEU 105 -20.652 0.439 4.441 750 HD23 LEU 105 HD23 LEU 105 -21.403 -1.118 4.792 751 H GLY 106 H GLY 106 -16.301 0.096 4.203 752 HA2 GLY 106 HA2 GLY 106 -16.327 1.200 1.539 753 HA3 GLY 106 HA3 GLY 106 -15.632 1.940 2.974 754 H ALA 107 H ALA 107 -13.859 2.532 1.554 755 HA ALA 107 HA ALA 107 -12.184 0.376 0.576 756 HB1 ALA 107 HB1 ALA 107 -11.747 3.358 0.497 757 HB2 ALA 107 HB2 ALA 107 -12.484 2.393 -0.781 758 HB3 ALA 107 HB3 ALA 107 -10.792 2.144 -0.353 759 H GLY 108 H GLY 108 -11.039 -0.661 2.060 760 HA2 GLY 108 HA2 GLY 108 -9.645 0.929 4.119 761 HA3 GLY 108 HA3 GLY 108 -10.079 -0.767 4.294 762 H GLY 109 H GLY 109 -9.120 -2.198 2.515 763 HA2 GLY 109 HA2 GLY 109 -6.379 -1.296 1.906 764 HA3 GLY 109 HA3 GLY 109 -6.797 -2.968 2.266 765 H ASN 110 H ASN 110 -6.646 -0.524 -0.130 766 HA ASN 110 HA ASN 110 -7.125 -2.492 -2.202 767 HB2 ASN 110 HB2 ASN 110 -9.379 -1.590 -1.812 768 HB3 ASN 110 HB3 ASN 110 -8.770 0.047 -2.037 769 HD21 ASN 110 HD21 ASN 110 -10.035 0.535 -3.768 770 HD22 ASN 110 HD22 ASN 110 -9.841 -0.215 -5.322 771 H ASN 111 H ASN 111 -5.300 -2.290 -3.297 772 HA ASN 111 HA ASN 111 -4.023 0.308 -3.546 773 HB2 ASN 111 HB2 ASN 111 -3.094 -2.453 -4.346 774 HB3 ASN 111 HB3 ASN 111 -2.143 -0.989 -4.570 775 HD21 ASN 111 HD21 ASN 111 -1.273 0.048 -2.803 776 HD22 ASN 111 HD22 ASN 111 -1.156 -0.722 -1.264 777 H ALA 112 H ALA 112 -6.369 0.266 -4.944 778 HA ALA 112 HA ALA 112 -5.369 0.363 -7.708 779 HB1 ALA 112 HB1 ALA 112 -8.133 -0.507 -6.858 780 HB2 ALA 112 HB2 ALA 112 -6.861 -1.565 -7.467 781 HB3 ALA 112 HB3 ALA 112 -7.565 -0.338 -8.519
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