NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
598690 | 2myf | 25449 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY -2 HT1 GLY -2 -18.421 -7.704 -0.924 2 H2 GLY -2 HT2 GLY -2 -17.326 -7.381 -2.173 3 H3 GLY -2 HT3 GLY -2 -18.656 -6.368 -1.931 4 HA2 GLY -2 HA1 GLY -2 -16.607 -5.362 -1.111 5 HA3 GLY -2 HA2 GLY -2 -17.799 -5.604 0.154 6 H SER -1 HN SER -1 -14.798 -5.411 0.162 7 HA SER -1 HA SER -1 -14.367 -7.842 1.736 8 HB2 SER -1 HB2 SER -1 -11.966 -7.840 0.920 9 HB3 SER -1 HB1 SER -1 -13.174 -8.296 -0.280 10 HG SER -1 HG SER -1 -12.289 -6.789 -1.437 11 H HIS 0 HN HIS 0 -12.764 -4.706 1.008 12 HA HIS 0 HA HIS 0 -12.801 -4.012 3.834 13 HB2 HIS 0 HB2 HIS 0 -10.439 -5.061 2.533 14 HB3 HIS 0 HB1 HIS 0 -10.148 -3.397 3.014 15 HD1 HIS 0 HD1 HIS 0 -11.488 -6.594 4.645 16 HD2 HIS 0 HD2 HIS 0 -9.320 -3.171 5.574 17 HE1 HIS 0 HE1 HIS 0 -10.690 -6.919 7.001 18 HE2 HIS 0 HE2 HIS 0 -9.559 -4.758 7.609 19 H MET 1 HN MET 1 -13.230 -1.893 4.066 20 HA MET 1 HA MET 1 -13.547 -0.279 1.685 21 HB2 MET 1 HB2 MET 1 -14.538 -0.203 4.493 22 HB3 MET 1 HB1 MET 1 -14.282 1.374 3.730 23 HG2 MET 1 HG2 MET 1 -16.560 0.715 3.429 24 HG3 MET 1 HG1 MET 1 -15.750 0.665 1.867 25 HE1 MET 1 HE1 MET 1 -18.462 -2.207 1.738 26 HE2 MET 1 HE2 MET 1 -17.889 -0.728 0.972 27 HE3 MET 1 HE3 MET 1 -18.589 -0.667 2.589 28 H SER 2 HN SER 2 -12.155 1.290 0.951 29 HA SER 2 HA SER 2 -9.949 2.053 2.738 30 HB2 SER 2 HB2 SER 2 -10.076 1.948 -0.281 31 HB3 SER 2 HB1 SER 2 -8.663 2.456 0.640 32 HG SER 2 HG SER 2 -8.171 0.432 0.713 33 H ASP 3 HN ASP 3 -10.707 3.926 3.702 34 HA ASP 3 HA ASP 3 -11.204 6.163 1.884 35 HB2 ASP 3 HB2 ASP 3 -12.521 7.201 3.832 36 HB3 ASP 3 HB1 ASP 3 -13.279 5.872 2.972 37 H ASN 4 HN ASN 4 -9.255 7.128 1.744 38 HA ASN 4 HA ASN 4 -8.153 8.340 4.163 39 HB2 ASN 4 HB2 ASN 4 -5.778 7.645 3.551 40 HB3 ASN 4 HB1 ASN 4 -6.793 6.384 4.237 41 HD21 ASN 4 HD21 ASN 4 -5.654 4.716 3.383 42 HD22 ASN 4 HD22 ASN 4 -5.593 4.350 1.696 43 H ASN 5 HN ASN 5 -6.369 9.863 3.735 44 HA ASN 5 HA ASN 5 -7.134 11.619 1.541 45 HB2 ASN 5 HB2 ASN 5 -5.153 12.104 3.822 46 HB3 ASN 5 HB1 ASN 5 -5.714 13.330 2.692 47 HD21 ASN 5 HD21 ASN 5 -7.874 14.024 2.800 48 HD22 ASN 5 HD22 ASN 5 -8.797 13.835 4.246 49 H ALA 6 HN ALA 6 -5.493 9.219 0.801 50 HA ALA 6 HA ALA 6 -2.758 9.651 0.511 51 HB1 ALA 6 HB1 ALA 6 -4.497 8.019 -1.344 52 HB2 ALA 6 HB2 ALA 6 -3.757 7.433 0.143 53 HB3 ALA 6 HB3 ALA 6 -2.748 7.916 -1.205 54 H THR 7 HN THR 7 -2.272 11.821 -0.331 55 HA THR 7 HA THR 7 -2.672 11.848 -3.244 56 HB THR 7 HB THR 7 -3.109 14.009 -2.315 57 HG1 THR 7 HG1 THR 7 -0.498 14.283 -3.386 58 HG21 THR 7 HG21 THR 7 -0.390 13.799 -1.005 59 HG22 THR 7 HG22 THR 7 -1.956 13.977 -0.207 60 HG23 THR 7 HG23 THR 7 -1.290 15.308 -1.148 61 H ASP 8 HN ASP 8 -0.972 11.304 -4.655 62 HA ASP 8 HA ASP 8 0.867 10.549 -5.588 63 HB2 ASP 8 HB2 ASP 8 2.432 12.270 -5.757 64 HB3 ASP 8 HB1 ASP 8 1.189 13.113 -4.885 65 H ILE 9 HN ILE 9 0.202 9.161 -2.856 66 HA ILE 9 HA ILE 9 2.691 7.726 -2.387 67 HB ILE 9 HB ILE 9 1.252 9.041 -0.040 68 HG12 ILE 9 HG12 ILE 9 4.065 9.616 -0.977 69 HG13 ILE 9 HG11 ILE 9 2.708 10.403 -1.681 70 HG21 ILE 9 HG21 ILE 9 3.840 7.456 0.114 71 HG22 ILE 9 HG22 ILE 9 2.252 6.777 0.446 72 HG23 ILE 9 HG23 ILE 9 2.854 8.081 1.430 73 HD11 ILE 9 HD11 ILE 9 2.116 11.321 0.563 74 HD12 ILE 9 HD12 ILE 9 3.634 11.881 -0.126 75 HD13 ILE 9 HD13 ILE 9 3.653 10.680 1.151 76 H LEU 10 HN LEU 10 2.281 5.601 -2.626 77 HA LEU 10 HA LEU 10 -0.394 4.626 -1.843 78 HB2 LEU 10 HB2 LEU 10 0.902 4.627 -4.525 79 HB3 LEU 10 HB1 LEU 10 0.052 3.157 -4.089 80 HG LEU 10 HG LEU 10 -0.988 5.291 -5.435 81 HD11 LEU 10 HD11 LEU 10 -2.401 3.203 -3.922 82 HD12 LEU 10 HD12 LEU 10 -1.817 3.174 -5.585 83 HD13 LEU 10 HD13 LEU 10 -3.111 4.249 -5.127 84 HD21 LEU 10 HD21 LEU 10 -2.253 5.570 -2.692 85 HD22 LEU 10 HD22 LEU 10 -2.679 6.435 -4.145 86 HD23 LEU 10 HD23 LEU 10 -1.148 6.754 -3.382 87 H PHE 11 HN PHE 11 0.444 3.245 0.002 88 HA PHE 11 HA PHE 11 2.408 1.271 -0.327 89 HB2 PHE 11 HB2 PHE 11 2.059 1.863 1.914 90 HB3 PHE 11 HB1 PHE 11 0.342 2.034 1.704 91 HD1 PHE 11 HD2 PHE 11 -0.963 -0.406 1.548 92 HD2 PHE 11 HD1 PHE 11 2.822 0.312 3.428 93 HE1 PHE 11 HE2 PHE 11 -1.340 -2.289 3.065 94 HE2 PHE 11 HE1 PHE 11 2.395 -1.551 4.939 95 HZ PHE 11 HZ PHE 11 0.343 -2.868 4.750 96 H VAL 12 HN VAL 12 2.314 -0.505 -1.735 97 HA VAL 12 HA VAL 12 -0.017 -2.308 -1.607 98 HB VAL 12 HB VAL 12 2.186 -2.711 -3.686 99 HG11 VAL 12 HG11 VAL 12 0.504 -4.530 -3.186 100 HG12 VAL 12 HG12 VAL 12 0.791 -4.098 -4.858 101 HG13 VAL 12 HG13 VAL 12 -0.645 -3.515 -4.051 102 HG21 VAL 12 HG21 VAL 12 1.477 -0.584 -4.464 103 HG22 VAL 12 HG22 VAL 12 -0.206 -0.948 -4.153 104 HG23 VAL 12 HG23 VAL 12 0.635 -1.771 -5.447 105 H GLY 13 HN GLY 13 0.722 -3.542 0.410 106 HA2 GLY 13 HA2 GLY 13 3.209 -5.085 -0.047 107 HA3 GLY 13 HA1 GLY 13 2.511 -4.743 1.537 108 H GLY 14 HN GLY 14 3.143 -7.329 0.791 109 HA2 GLY 14 HA2 GLY 14 2.156 -9.391 0.911 110 HA3 GLY 14 HA1 GLY 14 0.597 -8.654 0.933 111 H ILE 15 HN ILE 15 3.317 -8.951 -1.443 112 HA ILE 15 HA ILE 15 1.293 -9.668 -3.409 113 HB ILE 15 HB ILE 15 3.615 -9.141 -4.870 114 HG12 ILE 15 HG12 ILE 15 3.689 -7.546 -2.448 115 HG13 ILE 15 HG11 ILE 15 4.845 -7.610 -3.757 116 HG21 ILE 15 HG21 ILE 15 2.272 -7.451 -5.899 117 HG22 ILE 15 HG22 ILE 15 1.232 -7.375 -4.480 118 HG23 ILE 15 HG23 ILE 15 1.248 -8.832 -5.476 119 HD11 ILE 15 HD11 ILE 15 4.263 -5.364 -3.503 120 HD12 ILE 15 HD12 ILE 15 2.542 -5.706 -3.415 121 HD13 ILE 15 HD13 ILE 15 3.403 -5.891 -4.941 122 H ASP 16 HN ASP 16 2.204 -11.218 -5.247 123 HA ASP 16 HA ASP 16 2.845 -13.647 -3.767 124 HB2 ASP 16 HB2 ASP 16 1.166 -14.276 -5.069 125 HB3 ASP 16 HB1 ASP 16 1.295 -12.932 -6.144 126 H GLU 17 HN GLU 17 4.422 -15.291 -4.724 127 HA GLU 17 HA GLU 17 6.857 -13.749 -4.754 128 HB2 GLU 17 HB2 GLU 17 8.011 -15.986 -4.306 129 HB3 GLU 17 HB1 GLU 17 6.809 -15.527 -3.105 130 HG2 GLU 17 HG2 GLU 17 5.186 -17.043 -4.395 131 HG3 GLU 17 HG1 GLU 17 6.608 -17.637 -5.244 132 H THR 18 HN THR 18 5.246 -14.740 -7.573 133 HA THR 18 HA THR 18 7.917 -14.754 -8.803 134 HB THR 18 HB THR 18 6.657 -16.786 -9.511 135 HG1 THR 18 HG1 THR 18 7.622 -16.756 -11.397 136 HG21 THR 18 HG21 THR 18 4.962 -14.873 -11.165 137 HG22 THR 18 HG22 THR 18 4.373 -16.002 -9.941 138 HG23 THR 18 HG23 THR 18 5.089 -16.605 -11.422 139 H ILE 19 HN ILE 19 6.054 -12.293 -8.028 140 HA ILE 19 HA ILE 19 6.594 -10.894 -10.537 141 HB ILE 19 HB ILE 19 5.488 -8.926 -9.851 142 HG12 ILE 19 HG12 ILE 19 5.851 -8.130 -7.716 143 HG13 ILE 19 HG11 ILE 19 4.308 -8.903 -7.409 144 HG21 ILE 19 HG21 ILE 19 3.805 -10.370 -10.493 145 HG22 ILE 19 HG22 ILE 19 3.223 -9.694 -8.980 146 HG23 ILE 19 HG23 ILE 19 3.896 -11.315 -9.016 147 HD11 ILE 19 HD11 ILE 19 5.340 -9.802 -5.686 148 HD12 ILE 19 HD12 ILE 19 6.937 -9.480 -6.338 149 HD13 ILE 19 HD13 ILE 19 6.046 -10.902 -6.845 150 H ASP 20 HN ASP 20 7.978 -8.982 -10.664 151 HA ASP 20 HA ASP 20 9.893 -8.710 -8.440 152 HB2 ASP 20 HB2 ASP 20 10.629 -9.973 -10.599 153 HB3 ASP 20 HB1 ASP 20 10.795 -8.388 -11.307 154 H GLU 21 HN GLU 21 11.302 -6.551 -9.081 155 HA GLU 21 HA GLU 21 9.856 -4.249 -8.733 156 HB2 GLU 21 HB2 GLU 21 12.388 -4.465 -8.645 157 HB3 GLU 21 HB1 GLU 21 12.435 -4.320 -10.389 158 HG2 GLU 21 HG2 GLU 21 11.237 -2.129 -8.754 159 HG3 GLU 21 HG1 GLU 21 12.977 -2.315 -8.872 160 H LYS 22 HN LYS 22 10.929 -5.096 -12.048 161 HA LYS 22 HA LYS 22 9.688 -2.995 -13.331 162 HB2 LYS 22 HB2 LYS 22 10.080 -4.041 -15.464 163 HB3 LYS 22 HB1 LYS 22 11.488 -4.227 -14.447 164 HG2 LYS 22 HG2 LYS 22 9.438 -6.420 -15.012 165 HG3 LYS 22 HG1 LYS 22 10.948 -6.211 -15.882 166 HD2 LYS 22 HD2 LYS 22 10.788 -6.769 -12.900 167 HD3 LYS 22 HD1 LYS 22 11.015 -7.998 -14.132 168 HE2 LYS 22 HE2 LYS 22 13.074 -6.888 -14.861 169 HE3 LYS 22 HE1 LYS 22 12.865 -5.676 -13.605 170 HZ1 LYS 22 HZ1 LYS 22 13.088 -7.409 -11.932 171 HZ2 LYS 22 HZ2 LYS 22 14.431 -7.416 -12.962 172 HZ3 LYS 22 HZ3 LYS 22 13.230 -8.583 -13.142 173 H SER 23 HN SER 23 8.280 -6.140 -12.685 174 HA SER 23 HA SER 23 5.970 -5.909 -14.252 175 HB2 SER 23 HB2 SER 23 5.294 -7.654 -12.139 176 HB3 SER 23 HB1 SER 23 5.990 -8.066 -13.701 177 HG SER 23 HG SER 23 7.422 -7.361 -11.363 178 H LEU 24 HN LEU 24 6.419 -4.726 -10.873 179 HA LEU 24 HA LEU 24 3.604 -3.971 -10.688 180 HB2 LEU 24 HB2 LEU 24 5.743 -3.242 -8.701 181 HB3 LEU 24 HB1 LEU 24 4.046 -2.931 -8.561 182 HG LEU 24 HG LEU 24 5.037 -5.733 -8.909 183 HD11 LEU 24 HD11 LEU 24 6.277 -4.856 -6.962 184 HD12 LEU 24 HD12 LEU 24 5.057 -6.028 -6.479 185 HD13 LEU 24 HD13 LEU 24 4.754 -4.311 -6.252 186 HD21 LEU 24 HD21 LEU 24 2.616 -5.404 -9.144 187 HD22 LEU 24 HD22 LEU 24 2.562 -4.622 -7.570 188 HD23 LEU 24 HD23 LEU 24 2.977 -6.309 -7.687 189 H TYR 25 HN TYR 25 6.312 -2.513 -12.045 190 HA TYR 25 HA TYR 25 5.358 0.191 -12.225 191 HB2 TYR 25 HB2 TYR 25 7.765 -0.535 -12.836 192 HB3 TYR 25 HB1 TYR 25 7.127 -1.237 -14.309 193 HD1 TYR 25 HD2 TYR 25 5.834 0.657 -15.843 194 HD2 TYR 25 HD1 TYR 25 8.977 1.381 -13.000 195 HE1 TYR 25 HE2 TYR 25 6.461 2.674 -17.080 196 HE2 TYR 25 HE1 TYR 25 9.595 3.400 -14.282 197 HH TYR 25 HH TYR 25 7.643 4.727 -16.791 198 H ASP 26 HN ASP 26 5.232 -2.347 -14.881 199 HA ASP 26 HA ASP 26 3.438 -0.904 -16.472 200 HB2 ASP 26 HB2 ASP 26 4.904 -3.366 -16.824 201 HB3 ASP 26 HB1 ASP 26 3.280 -3.492 -17.500 202 H ILE 27 HN ILE 27 2.431 -3.537 -14.183 203 HA ILE 27 HA ILE 27 -0.182 -3.513 -15.293 204 HB ILE 27 HB ILE 27 0.382 -4.511 -12.443 205 HG12 ILE 27 HG12 ILE 27 0.001 -6.628 -14.435 206 HG13 ILE 27 HG11 ILE 27 1.389 -5.681 -14.893 207 HG21 ILE 27 HG21 ILE 27 -1.642 -5.821 -12.725 208 HG22 ILE 27 HG22 ILE 27 -1.812 -5.238 -14.376 209 HG23 ILE 27 HG23 ILE 27 -1.983 -4.128 -13.034 210 HD11 ILE 27 HD11 ILE 27 1.884 -7.769 -13.655 211 HD12 ILE 27 HD12 ILE 27 1.108 -7.107 -12.218 212 HD13 ILE 27 HD13 ILE 27 2.559 -6.344 -12.887 213 H PHE 28 HN PHE 28 1.130 -1.485 -12.494 214 HA PHE 28 HA PHE 28 -1.389 -0.089 -12.392 215 HB2 PHE 28 HB2 PHE 28 1.256 0.243 -11.057 216 HB3 PHE 28 HB1 PHE 28 0.024 1.487 -10.931 217 HD1 PHE 28 HD2 PHE 28 0.203 -2.229 -10.517 218 HD2 PHE 28 HD1 PHE 28 -1.132 1.537 -9.046 219 HE1 PHE 28 HE2 PHE 28 -0.773 -3.347 -8.570 220 HE2 PHE 28 HE1 PHE 28 -2.087 0.453 -7.064 221 HZ PHE 28 HZ PHE 28 -1.916 -2.016 -6.817 222 H SER 29 HN SER 29 1.188 0.179 -14.768 223 HA SER 29 HA SER 29 1.068 3.083 -14.829 224 HB2 SER 29 HB2 SER 29 2.465 2.926 -16.960 225 HB3 SER 29 HB1 SER 29 3.277 2.475 -15.467 226 HG SER 29 HG SER 29 2.008 0.669 -17.284 227 H SER 30 HN SER 30 -1.003 0.757 -15.860 228 HA SER 30 HA SER 30 -1.698 1.590 -18.460 229 HB2 SER 30 HB2 SER 30 -3.886 0.367 -17.968 230 HB3 SER 30 HB1 SER 30 -2.409 -0.587 -17.806 231 HG SER 30 HG SER 30 -2.752 -0.763 -15.709 232 H PHE 31 HN PHE 31 -3.200 2.546 -15.258 233 HA PHE 31 HA PHE 31 -4.296 4.904 -16.561 234 HB2 PHE 31 HB2 PHE 31 -4.526 3.639 -13.898 235 HB3 PHE 31 HB1 PHE 31 -4.572 5.393 -13.893 236 HD1 PHE 31 HD1 PHE 31 -6.250 2.375 -15.247 237 HD2 PHE 31 HD2 PHE 31 -6.465 6.568 -14.543 238 HE1 PHE 31 HE1 PHE 31 -8.648 2.349 -15.810 239 HE2 PHE 31 HE2 PHE 31 -8.854 6.551 -15.106 240 HZ PHE 31 HZ PHE 31 -9.950 4.442 -15.746 241 H GLY 32 HN GLY 32 -1.485 4.198 -14.516 242 HA2 GLY 32 HA2 GLY 32 -0.714 7.047 -14.607 243 HA3 GLY 32 HA1 GLY 32 -0.756 6.145 -13.123 244 H ASP 33 HN ASP 33 1.304 7.152 -15.611 245 HA ASP 33 HA ASP 33 3.393 5.216 -15.307 246 HB2 ASP 33 HB2 ASP 33 3.841 8.123 -16.060 247 HB3 ASP 33 HB1 ASP 33 4.998 6.822 -16.197 248 H ILE 34 HN ILE 34 5.697 5.825 -14.204 249 HA ILE 34 HA ILE 34 4.842 6.166 -11.383 250 HB ILE 34 HB ILE 34 6.351 3.827 -12.640 251 HG12 ILE 34 HG12 ILE 34 3.970 3.292 -12.694 252 HG13 ILE 34 HG11 ILE 34 4.662 2.398 -11.378 253 HG21 ILE 34 HG21 ILE 34 7.593 4.240 -10.679 254 HG22 ILE 34 HG22 ILE 34 6.637 2.792 -10.436 255 HG23 ILE 34 HG23 ILE 34 6.150 4.298 -9.696 256 HD11 ILE 34 HD11 ILE 34 2.504 4.129 -11.272 257 HD12 ILE 34 HD12 ILE 34 3.779 4.896 -10.360 258 HD13 ILE 34 HD13 ILE 34 3.286 3.277 -9.953 259 H ARG 35 HN ARG 35 6.296 7.135 -9.810 260 HA ARG 35 HA ARG 35 8.590 8.599 -10.851 261 HB2 ARG 35 HB2 ARG 35 6.769 9.142 -8.723 262 HB3 ARG 35 HB1 ARG 35 8.317 8.896 -7.928 263 HG2 ARG 35 HG2 ARG 35 9.277 10.790 -8.876 264 HG3 ARG 35 HG1 ARG 35 8.107 10.924 -10.162 265 HD2 ARG 35 HD2 ARG 35 6.750 11.016 -7.641 266 HD3 ARG 35 HD1 ARG 35 8.087 12.146 -7.616 267 HE ARG 35 HE ARG 35 6.901 12.723 -9.952 268 HH11 ARG 35 HH11 ARG 35 5.526 12.303 -6.723 269 HH12 ARG 35 HH12 ARG 35 4.238 13.425 -7.002 270 HH21 ARG 35 HH21 ARG 35 5.209 14.228 -10.266 271 HH22 ARG 35 HH22 ARG 35 4.064 14.506 -9.000 272 H ASN 36 HN ASN 36 8.441 6.022 -8.214 273 HA ASN 36 HA ASN 36 11.241 5.441 -8.479 274 HB2 ASN 36 HB2 ASN 36 11.269 7.618 -7.032 275 HB3 ASN 36 HB1 ASN 36 10.446 6.650 -5.794 276 HD21 ASN 36 HD21 ASN 36 11.951 6.353 -4.206 277 HD22 ASN 36 HD22 ASN 36 13.512 5.663 -4.489 278 H ILE 37 HN ILE 37 11.628 3.238 -7.406 279 HA ILE 37 HA ILE 37 9.179 2.168 -6.125 280 HB ILE 37 HB ILE 37 10.864 0.520 -8.054 281 HG12 ILE 37 HG12 ILE 37 8.800 2.499 -8.683 282 HG13 ILE 37 HG11 ILE 37 10.133 1.921 -9.657 283 HG21 ILE 37 HG21 ILE 37 8.835 -0.880 -8.310 284 HG22 ILE 37 HG22 ILE 37 8.187 -0.082 -6.894 285 HG23 ILE 37 HG23 ILE 37 9.665 -1.000 -6.778 286 HD11 ILE 37 HD11 ILE 37 8.088 1.367 -10.753 287 HD12 ILE 37 HD12 ILE 37 7.447 0.588 -9.306 288 HD13 ILE 37 HD13 ILE 37 8.815 -0.127 -10.163 289 H GLU 38 HN GLU 38 9.544 1.315 -4.103 290 HA GLU 38 HA GLU 38 12.192 0.044 -3.718 291 HB2 GLU 38 HB2 GLU 38 12.166 2.100 -2.266 292 HB3 GLU 38 HB1 GLU 38 10.681 1.621 -1.541 293 HG2 GLU 38 HG2 GLU 38 12.482 -0.436 -0.949 294 HG3 GLU 38 HG1 GLU 38 13.388 1.054 -0.778 295 H VAL 39 HN VAL 39 11.899 -2.066 -3.978 296 HA VAL 39 HA VAL 39 9.864 -3.489 -2.370 297 HB VAL 39 HB VAL 39 10.360 -4.099 -5.349 298 HG11 VAL 39 HG11 VAL 39 8.681 -5.862 -5.180 299 HG12 VAL 39 HG12 VAL 39 8.494 -5.549 -3.458 300 HG13 VAL 39 HG13 VAL 39 10.022 -6.175 -4.080 301 HG21 VAL 39 HG21 VAL 39 8.773 -2.334 -5.381 302 HG22 VAL 39 HG22 VAL 39 7.900 -3.004 -4.016 303 HG23 VAL 39 HG23 VAL 39 7.844 -3.814 -5.565 304 HA PRO 40 HA PRO 40 14.093 -5.483 -1.843 305 HB2 PRO 40 HB2 PRO 40 13.397 -6.560 0.613 306 HB3 PRO 40 HB1 PRO 40 14.207 -4.997 0.398 307 HG2 PRO 40 HG2 PRO 40 11.324 -5.570 0.783 308 HG3 PRO 40 HG1 PRO 40 12.346 -4.329 1.545 309 HD2 PRO 40 HD2 PRO 40 10.756 -3.605 -0.450 310 HD3 PRO 40 HD1 PRO 40 12.409 -3.029 -0.348 311 H LEU 41 HN LEU 41 14.560 -7.682 -2.277 312 HA LEU 41 HA LEU 41 12.387 -9.627 -2.118 313 HB2 LEU 41 HB2 LEU 41 13.012 -8.349 -4.682 314 HB3 LEU 41 HB1 LEU 41 13.420 -10.040 -4.782 315 HG LEU 41 HG LEU 41 11.221 -10.691 -4.915 316 HD11 LEU 41 HD11 LEU 41 10.167 -8.323 -3.331 317 HD12 LEU 41 HD12 LEU 41 10.420 -9.933 -2.658 318 HD13 LEU 41 HD13 LEU 41 9.247 -9.688 -3.941 319 HD21 LEU 41 HD21 LEU 41 11.024 -7.787 -5.642 320 HD22 LEU 41 HD22 LEU 41 9.858 -9.027 -6.082 321 HD23 LEU 41 HD23 LEU 41 11.500 -9.117 -6.703 322 H ASN 42 HN ASN 42 13.400 -11.984 -2.273 323 HA ASN 42 HA ASN 42 16.212 -11.619 -1.488 324 HB2 ASN 42 HB2 ASN 42 14.560 -12.347 0.424 325 HB3 ASN 42 HB1 ASN 42 14.545 -13.918 -0.379 326 HD21 ASN 42 HD21 ASN 42 15.325 -13.301 2.227 327 HD22 ASN 42 HD22 ASN 42 16.973 -13.786 2.392 328 H MET 43 HN MET 43 17.804 -13.159 -2.391 329 HA MET 43 HA MET 43 16.892 -14.278 -4.874 330 HB2 MET 43 HB2 MET 43 19.500 -13.587 -3.771 331 HB3 MET 43 HB1 MET 43 19.578 -15.232 -4.382 332 HG2 MET 43 HG2 MET 43 18.413 -13.941 -6.518 333 HG3 MET 43 HG1 MET 43 19.452 -12.653 -5.855 334 HE1 MET 43 HE1 MET 43 21.910 -14.058 -4.652 335 HE2 MET 43 HE2 MET 43 22.037 -12.703 -5.775 336 HE3 MET 43 HE3 MET 43 23.000 -14.156 -6.037 337 H THR 44 HN THR 44 16.544 -15.798 -1.884 338 HA THR 44 HA THR 44 16.932 -18.393 -3.108 339 HB THR 44 HB THR 44 16.494 -17.879 -0.122 340 HG1 THR 44 HG1 THR 44 18.693 -17.843 -1.738 341 HG21 THR 44 HG21 THR 44 17.036 -20.141 0.330 342 HG22 THR 44 HG22 THR 44 17.525 -20.457 -1.326 343 HG23 THR 44 HG23 THR 44 15.814 -20.234 -0.940 344 H THR 45 HN THR 45 14.152 -16.721 -1.312 345 HA THR 45 HA THR 45 12.443 -18.562 -2.874 346 HB THR 45 HB THR 45 10.819 -18.719 -1.254 347 HG1 THR 45 HG1 THR 45 10.124 -16.831 -0.737 348 HG21 THR 45 HG21 THR 45 12.910 -18.052 0.835 349 HG22 THR 45 HG22 THR 45 13.081 -19.499 -0.185 350 HG23 THR 45 HG23 THR 45 11.662 -19.300 0.827 351 H LYS 46 HN LYS 46 13.314 -15.312 -3.077 352 HA LYS 46 HA LYS 46 12.407 -13.331 -3.685 353 HB2 LYS 46 HB2 LYS 46 12.125 -14.751 -5.723 354 HB3 LYS 46 HB1 LYS 46 10.488 -15.161 -5.252 355 HG2 LYS 46 HG2 LYS 46 9.878 -13.522 -6.564 356 HG3 LYS 46 HG1 LYS 46 10.413 -12.421 -5.327 357 HD2 LYS 46 HD2 LYS 46 11.447 -11.540 -7.198 358 HD3 LYS 46 HD1 LYS 46 12.721 -12.620 -6.646 359 HE2 LYS 46 HE2 LYS 46 11.951 -14.337 -8.233 360 HE3 LYS 46 HE1 LYS 46 10.659 -13.256 -8.755 361 HZ1 LYS 46 HZ1 LYS 46 12.455 -13.131 -10.306 362 HZ2 LYS 46 HZ2 LYS 46 13.572 -12.810 -9.082 363 HZ3 LYS 46 HZ3 LYS 46 12.386 -11.661 -9.457 364 H LYS 47 HN LYS 47 11.232 -14.533 -1.178 365 HA LYS 47 HA LYS 47 8.700 -13.500 -0.708 366 HB2 LYS 47 HB2 LYS 47 9.556 -13.399 1.768 367 HB3 LYS 47 HB1 LYS 47 9.483 -14.949 0.959 368 HG2 LYS 47 HG2 LYS 47 11.532 -15.082 2.037 369 HG3 LYS 47 HG1 LYS 47 12.011 -14.553 0.444 370 HD2 LYS 47 HD2 LYS 47 13.314 -13.379 2.023 371 HD3 LYS 47 HD1 LYS 47 12.185 -12.208 1.338 372 HE2 LYS 47 HE2 LYS 47 12.347 -11.851 3.669 373 HE3 LYS 47 HE1 LYS 47 10.760 -12.540 3.352 374 HZ1 LYS 47 HZ1 LYS 47 11.540 -14.670 4.104 375 HZ2 LYS 47 HZ2 LYS 47 11.840 -13.510 5.296 376 HZ3 LYS 47 HZ3 LYS 47 13.108 -14.071 4.330 377 H ASN 48 HN ASN 48 7.851 -11.432 -0.071 378 HA ASN 48 HA ASN 48 9.840 -9.226 -0.093 379 HB2 ASN 48 HB2 ASN 48 7.951 -7.676 -0.548 380 HB3 ASN 48 HB1 ASN 48 8.200 -8.872 -1.810 381 HD21 ASN 48 HD21 ASN 48 6.620 -10.454 -2.153 382 HD22 ASN 48 HD22 ASN 48 5.072 -10.400 -1.381 383 H ARG 49 HN ARG 49 8.073 -10.991 2.167 384 HA ARG 49 HA ARG 49 7.332 -10.741 4.258 385 HB2 ARG 49 HB2 ARG 49 8.829 -8.900 5.662 386 HB3 ARG 49 HB1 ARG 49 9.232 -10.584 5.484 387 HG2 ARG 49 HG2 ARG 49 10.638 -9.797 3.444 388 HG3 ARG 49 HG1 ARG 49 10.467 -8.188 4.163 389 HD2 ARG 49 HD2 ARG 49 11.516 -9.049 6.222 390 HD3 ARG 49 HD1 ARG 49 11.693 -10.636 5.488 391 HE ARG 49 HE ARG 49 12.864 -8.825 3.762 392 HH11 ARG 49 HH12 ARG 49 13.417 -9.927 7.050 393 HH12 ARG 49 HH11 ARG 49 15.130 -9.689 6.965 394 HH21 ARG 49 HH21 ARG 49 15.131 -8.599 3.638 395 HH22 ARG 49 HH22 ARG 49 16.104 -8.937 5.026 396 H GLY 50 HN GLY 50 5.441 -9.570 3.000 397 HA2 GLY 50 HA2 GLY 50 3.555 -8.456 3.519 398 HA3 GLY 50 HA1 GLY 50 4.257 -8.176 5.090 399 H PHE 51 HN PHE 51 5.954 -6.647 2.381 400 HA PHE 51 HA PHE 51 4.547 -4.203 2.893 401 HB2 PHE 51 HB2 PHE 51 5.769 -3.175 4.535 402 HB3 PHE 51 HB1 PHE 51 6.040 -4.821 4.989 403 HD1 PHE 51 HD1 PHE 51 8.339 -5.794 4.842 404 HD2 PHE 51 HD2 PHE 51 7.591 -1.681 3.853 405 HE1 PHE 51 HE1 PHE 51 10.722 -5.288 4.993 406 HE2 PHE 51 HE2 PHE 51 9.980 -1.221 3.983 407 HZ PHE 51 HZ PHE 51 11.556 -3.025 4.547 408 H ALA 52 HN ALA 52 4.808 -2.829 0.931 409 HA ALA 52 HA ALA 52 7.506 -2.362 -0.131 410 HB1 ALA 52 HB1 ALA 52 6.573 -2.668 -2.526 411 HB2 ALA 52 HB2 ALA 52 5.314 -3.652 -1.803 412 HB3 ALA 52 HB3 ALA 52 7.002 -4.125 -1.658 413 H PHE 53 HN PHE 53 7.672 -0.247 -0.979 414 HA PHE 53 HA PHE 53 5.306 1.422 -0.774 415 HB2 PHE 53 HB2 PHE 53 8.148 2.381 -0.887 416 HB3 PHE 53 HB1 PHE 53 6.719 3.344 -0.509 417 HD1 PHE 53 HD2 PHE 53 5.314 1.809 1.628 418 HD2 PHE 53 HD1 PHE 53 9.480 2.250 0.857 419 HE1 PHE 53 HE2 PHE 53 5.816 1.356 4.001 420 HE2 PHE 53 HE1 PHE 53 9.995 1.781 3.168 421 HZ PHE 53 HZ PHE 53 8.152 1.350 4.779 422 H VAL 54 HN VAL 54 4.528 2.918 -2.559 423 HA VAL 54 HA VAL 54 5.897 2.689 -5.108 424 HB VAL 54 HB VAL 54 2.969 1.744 -4.891 425 HG11 VAL 54 HG11 VAL 54 4.193 2.188 -7.586 426 HG12 VAL 54 HG12 VAL 54 3.129 3.371 -6.834 427 HG13 VAL 54 HG13 VAL 54 2.546 1.750 -7.173 428 HG21 VAL 54 HG21 VAL 54 5.266 0.460 -6.317 429 HG22 VAL 54 HG22 VAL 54 3.613 -0.075 -6.314 430 HG23 VAL 54 HG23 VAL 54 4.522 -0.094 -4.826 431 H GLU 55 HN GLU 55 6.296 4.963 -5.544 432 HA GLU 55 HA GLU 55 4.360 7.024 -4.885 433 HB2 GLU 55 HB2 GLU 55 7.055 6.827 -4.920 434 HB3 GLU 55 HB1 GLU 55 6.785 7.514 -6.515 435 HG2 GLU 55 HG2 GLU 55 5.888 9.533 -5.490 436 HG3 GLU 55 HG1 GLU 55 6.073 8.835 -3.918 437 H TYR 56 HN TYR 56 2.664 7.728 -6.474 438 HA TYR 56 HA TYR 56 2.899 7.066 -9.288 439 HB2 TYR 56 HB2 TYR 56 0.752 8.165 -7.600 440 HB3 TYR 56 HB1 TYR 56 0.908 8.966 -9.165 441 HD1 TYR 56 HD1 TYR 56 1.254 5.255 -8.370 442 HD2 TYR 56 HD2 TYR 56 -0.841 8.379 -10.339 443 HE1 TYR 56 HE1 TYR 56 -0.248 3.605 -9.377 444 HE2 TYR 56 HE2 TYR 56 -2.305 6.767 -11.378 445 HH TYR 56 HH TYR 56 -2.170 4.260 -12.023 446 H VAL 57 HN VAL 57 2.658 8.747 -11.164 447 HA VAL 57 HA VAL 57 3.953 11.250 -10.620 448 HB VAL 57 HB VAL 57 3.063 10.025 -13.220 449 HG11 VAL 57 HG11 VAL 57 2.035 12.084 -13.701 450 HG12 VAL 57 HG12 VAL 57 3.629 12.179 -14.422 451 HG13 VAL 57 HG13 VAL 57 3.305 13.005 -12.905 452 HG21 VAL 57 HG21 VAL 57 5.198 10.790 -14.036 453 HG22 VAL 57 HG22 VAL 57 5.422 9.935 -12.536 454 HG23 VAL 57 HG23 VAL 57 5.485 11.687 -12.562 455 H GLU 58 HN GLU 58 0.316 10.824 -11.386 456 HA GLU 58 HA GLU 58 0.207 13.707 -10.849 457 HB2 GLU 58 HB2 GLU 58 -1.620 12.018 -12.574 458 HB3 GLU 58 HB1 GLU 58 -2.116 13.572 -11.972 459 HG2 GLU 58 HG2 GLU 58 -0.143 12.953 -14.113 460 HG3 GLU 58 HG1 GLU 58 -1.499 14.063 -14.090 461 H VAL 59 HN VAL 59 -1.580 14.565 -9.515 462 HA VAL 59 HA VAL 59 -1.933 12.732 -7.338 463 HB VAL 59 HB VAL 59 -1.650 14.348 -5.984 464 HG11 VAL 59 HG11 VAL 59 -1.332 16.356 -8.163 465 HG12 VAL 59 HG12 VAL 59 -0.091 15.220 -7.620 466 HG13 VAL 59 HG13 VAL 59 -0.707 16.446 -6.523 467 HG21 VAL 59 HG21 VAL 59 -3.675 16.271 -7.070 468 HG22 VAL 59 HG22 VAL 59 -2.854 16.334 -5.528 469 HG23 VAL 59 HG23 VAL 59 -3.988 15.045 -5.846 470 H ASP 60 HN ASP 60 -4.409 14.151 -9.560 471 HA ASP 60 HA ASP 60 -6.647 13.105 -8.121 472 HB2 ASP 60 HB2 ASP 60 -7.000 14.671 -9.998 473 HB3 ASP 60 HB1 ASP 60 -6.532 13.413 -11.146 474 H ASP 61 HN ASP 61 -4.995 11.588 -10.948 475 HA ASP 61 HA ASP 61 -6.188 9.186 -11.045 476 HB2 ASP 61 HB2 ASP 61 -3.217 9.475 -11.612 477 HB3 ASP 61 HB1 ASP 61 -4.320 8.244 -12.231 478 H ALA 62 HN ALA 62 -3.436 9.796 -8.811 479 HA ALA 62 HA ALA 62 -3.052 7.531 -7.438 480 HB1 ALA 62 HB1 ALA 62 -2.081 9.658 -6.714 481 HB2 ALA 62 HB2 ALA 62 -2.751 8.781 -5.371 482 HB3 ALA 62 HB3 ALA 62 -3.614 10.139 -6.040 483 H LYS 63 HN LYS 63 -5.612 9.732 -6.380 484 HA LYS 63 HA LYS 63 -6.948 8.022 -4.606 485 HB2 LYS 63 HB2 LYS 63 -8.039 10.469 -5.975 486 HB3 LYS 63 HB1 LYS 63 -9.080 9.409 -5.051 487 HG2 LYS 63 HG2 LYS 63 -8.495 11.016 -3.508 488 HG3 LYS 63 HG1 LYS 63 -7.411 9.692 -3.124 489 HD2 LYS 63 HD2 LYS 63 -5.737 11.169 -3.211 490 HD3 LYS 63 HD1 LYS 63 -5.988 11.303 -4.947 491 HE2 LYS 63 HE2 LYS 63 -7.547 12.902 -2.943 492 HE3 LYS 63 HE1 LYS 63 -6.029 13.456 -3.629 493 HZ1 LYS 63 HZ1 LYS 63 -7.876 14.364 -4.855 494 HZ2 LYS 63 HZ2 LYS 63 -8.511 12.822 -5.127 495 HZ3 LYS 63 HZ3 LYS 63 -7.049 13.270 -5.848 496 H HIS 64 HN HIS 64 -8.042 8.468 -8.045 497 HA HIS 64 HA HIS 64 -10.028 6.500 -7.755 498 HB2 HIS 64 HB2 HIS 64 -8.909 7.505 -10.381 499 HB3 HIS 64 HB1 HIS 64 -10.067 6.219 -10.279 500 HD1 HIS 64 HD1 HIS 64 -12.464 6.794 -9.555 501 HD2 HIS 64 HD2 HIS 64 -9.921 10.069 -9.874 502 HE1 HIS 64 HE1 HIS 64 -13.944 8.819 -9.425 503 HE2 HIS 64 HE2 HIS 64 -12.365 10.778 -9.432 504 H ALA 65 HN ALA 65 -6.583 5.923 -8.656 505 HA ALA 65 HA ALA 65 -7.074 3.184 -9.181 506 HB1 ALA 65 HB1 ALA 65 -5.058 3.896 -10.080 507 HB2 ALA 65 HB2 ALA 65 -4.632 2.759 -8.811 508 HB3 ALA 65 HB3 ALA 65 -4.455 4.485 -8.538 509 H LEU 66 HN LEU 66 -5.702 4.444 -5.998 510 HA LEU 66 HA LEU 66 -5.809 1.934 -4.856 511 HB2 LEU 66 HB2 LEU 66 -4.591 2.731 -3.181 512 HB3 LEU 66 HB1 LEU 66 -4.715 4.315 -3.842 513 HG LEU 66 HG LEU 66 -6.730 4.616 -2.158 514 HD11 LEU 66 HD11 LEU 66 -5.418 2.339 -0.757 515 HD12 LEU 66 HD12 LEU 66 -6.851 2.117 -1.698 516 HD13 LEU 66 HD13 LEU 66 -6.885 3.189 -0.334 517 HD21 LEU 66 HD21 LEU 66 -4.731 5.777 -1.630 518 HD22 LEU 66 HD22 LEU 66 -3.850 4.298 -1.322 519 HD23 LEU 66 HD23 LEU 66 -5.100 4.824 -0.198 520 H TYR 67 HN TYR 67 -8.560 4.266 -4.783 521 HA TYR 67 HA TYR 67 -10.157 2.639 -3.189 522 HB2 TYR 67 HB2 TYR 67 -10.550 5.028 -3.915 523 HB3 TYR 67 HB1 TYR 67 -11.134 4.361 -5.433 524 HD1 TYR 67 HD1 TYR 67 -11.715 3.946 -1.726 525 HD2 TYR 67 HD2 TYR 67 -13.398 4.048 -5.645 526 HE1 TYR 67 HE1 TYR 67 -13.946 3.684 -0.770 527 HE2 TYR 67 HE2 TYR 67 -15.636 3.788 -4.668 528 HH TYR 67 HH TYR 67 -16.694 3.023 -2.697 529 H ASN 68 HN ASN 68 -9.552 2.335 -6.658 530 HA ASN 68 HA ASN 68 -11.338 0.089 -6.997 531 HB2 ASN 68 HB2 ASN 68 -10.499 1.615 -8.897 532 HB3 ASN 68 HB1 ASN 68 -8.988 0.703 -8.852 533 HD21 ASN 68 HD21 ASN 68 -8.897 -1.305 -9.775 534 HD22 ASN 68 HD22 ASN 68 -10.208 -1.994 -10.659 535 H MET 69 HN MET 69 -8.576 -0.013 -5.080 536 HA MET 69 HA MET 69 -7.418 -2.329 -6.510 537 HB2 MET 69 HB2 MET 69 -6.074 -0.101 -5.038 538 HB3 MET 69 HB1 MET 69 -5.281 -1.663 -5.076 539 HG2 MET 69 HG2 MET 69 -6.000 0.100 -7.431 540 HG3 MET 69 HG1 MET 69 -4.409 -0.349 -6.852 541 HE1 MET 69 HE1 MET 69 -4.212 -0.649 -9.549 542 HE2 MET 69 HE2 MET 69 -5.931 -0.715 -9.954 543 HE3 MET 69 HE3 MET 69 -4.867 -2.047 -10.405 544 H ASN 70 HN ASN 70 -9.044 -1.466 -3.675 545 HA ASN 70 HA ASN 70 -8.098 -3.432 -1.869 546 HB2 ASN 70 HB2 ASN 70 -10.628 -3.293 -1.054 547 HB3 ASN 70 HB1 ASN 70 -9.502 -1.995 -0.726 548 HD21 ASN 70 HD21 ASN 70 -10.747 -0.274 -0.680 549 HD22 ASN 70 HD22 ASN 70 -11.794 0.264 -1.953 550 H ASN 71 HN ASN 71 -10.837 -3.729 -4.263 551 HA ASN 71 HA ASN 71 -11.146 -6.521 -3.619 552 HB2 ASN 71 HB2 ASN 71 -13.005 -6.487 -5.207 553 HB3 ASN 71 HB1 ASN 71 -13.099 -5.121 -4.097 554 HD21 ASN 71 HD21 ASN 71 -12.786 -2.991 -4.918 555 HD22 ASN 71 HD22 ASN 71 -12.785 -2.671 -6.618 556 H PHE 72 HN PHE 72 -8.753 -5.303 -5.417 557 HA PHE 72 HA PHE 72 -9.036 -7.076 -7.730 558 HB2 PHE 72 HB2 PHE 72 -8.450 -4.913 -8.482 559 HB3 PHE 72 HB1 PHE 72 -7.253 -4.662 -7.231 560 HD1 PHE 72 HD2 PHE 72 -7.962 -6.628 -10.328 561 HD2 PHE 72 HD1 PHE 72 -5.009 -5.037 -7.698 562 HE1 PHE 72 HE2 PHE 72 -6.204 -7.192 -11.964 563 HE2 PHE 72 HE1 PHE 72 -3.259 -5.595 -9.323 564 HZ PHE 72 HZ PHE 72 -3.849 -6.679 -11.452 565 H GLU 73 HN GLU 73 -7.999 -9.122 -7.713 566 HA GLU 73 HA GLU 73 -5.940 -9.469 -5.713 567 HB2 GLU 73 HB2 GLU 73 -6.393 -11.753 -5.539 568 HB3 GLU 73 HB1 GLU 73 -7.960 -11.058 -5.749 569 HG2 GLU 73 HG2 GLU 73 -7.264 -11.775 -8.334 570 HG3 GLU 73 HG1 GLU 73 -6.530 -13.005 -7.342 571 H LEU 74 HN LEU 74 -3.760 -10.149 -6.199 572 HA LEU 74 HA LEU 74 -2.963 -9.764 -9.021 573 HB2 LEU 74 HB2 LEU 74 -1.799 -8.699 -6.623 574 HB3 LEU 74 HB1 LEU 74 -0.628 -9.895 -7.181 575 HG LEU 74 HG LEU 74 -1.252 -8.339 -9.465 576 HD11 LEU 74 HD11 LEU 74 -0.649 -6.572 -7.112 577 HD12 LEU 74 HD12 LEU 74 -2.210 -6.668 -7.917 578 HD13 LEU 74 HD13 LEU 74 -0.799 -6.079 -8.800 579 HD21 LEU 74 HD21 LEU 74 1.198 -8.210 -7.648 580 HD22 LEU 74 HD22 LEU 74 1.086 -7.529 -9.268 581 HD23 LEU 74 HD23 LEU 74 0.996 -9.271 -9.046 582 H ASN 75 HN ASN 75 -2.722 -11.872 -10.149 583 HA ASN 75 HA ASN 75 -2.154 -14.128 -10.425 584 HB2 ASN 75 HB2 ASN 75 0.098 -13.291 -8.466 585 HB3 ASN 75 HB1 ASN 75 0.040 -14.862 -9.287 586 HD21 ASN 75 HD21 ASN 75 2.292 -14.260 -10.206 587 HD22 ASN 75 HD22 ASN 75 2.334 -13.151 -11.547 588 H GLY 76 HN GLY 76 -4.272 -13.996 -8.733 589 HA2 GLY 76 HA2 GLY 76 -5.481 -14.963 -7.152 590 HA3 GLY 76 HA1 GLY 76 -4.388 -16.296 -7.271 591 H LYS 77 HN LYS 77 -3.251 -13.223 -6.057 592 HA LYS 77 HA LYS 77 -3.503 -14.155 -3.309 593 HB2 LYS 77 HB2 LYS 77 -1.117 -14.304 -3.897 594 HB3 LYS 77 HB1 LYS 77 -1.095 -12.638 -4.443 595 HG2 LYS 77 HG2 LYS 77 -1.363 -11.816 -2.215 596 HG3 LYS 77 HG1 LYS 77 -1.593 -13.449 -1.576 597 HD2 LYS 77 HD2 LYS 77 0.847 -13.292 -3.093 598 HD3 LYS 77 HD1 LYS 77 0.824 -12.038 -1.862 599 HE2 LYS 77 HE2 LYS 77 0.393 -13.714 -0.153 600 HE3 LYS 77 HE1 LYS 77 0.393 -14.979 -1.377 601 HZ1 LYS 77 HZ1 LYS 77 2.698 -13.223 -0.741 602 HZ2 LYS 77 HZ2 LYS 77 2.688 -14.487 -1.860 603 HZ3 LYS 77 HZ3 LYS 77 2.513 -14.818 -0.213 604 H ARG 78 HN ARG 78 -3.619 -12.332 -1.668 605 HA ARG 78 HA ARG 78 -5.336 -10.244 -2.856 606 HB2 ARG 78 HB2 ARG 78 -6.312 -11.952 -1.106 607 HB3 ARG 78 HB1 ARG 78 -5.486 -10.989 0.109 608 HG2 ARG 78 HG2 ARG 78 -7.777 -10.163 -1.713 609 HG3 ARG 78 HG1 ARG 78 -7.841 -10.466 0.011 610 HD2 ARG 78 HD2 ARG 78 -6.175 -8.398 0.139 611 HD3 ARG 78 HD1 ARG 78 -6.827 -8.066 -1.472 612 HE ARG 78 HE ARG 78 -8.778 -7.404 -0.509 613 HH11 ARG 78 HH11 ARG 78 -7.018 -9.286 1.908 614 HH12 ARG 78 HH12 ARG 78 -8.145 -8.935 3.178 615 HH21 ARG 78 HH21 ARG 78 -10.248 -6.964 1.210 616 HH22 ARG 78 HH22 ARG 78 -9.955 -7.634 2.783 617 H ILE 79 HN ILE 79 -4.688 -8.005 -2.596 618 HA ILE 79 HA ILE 79 -2.148 -7.648 -1.081 619 HB ILE 79 HB ILE 79 -2.012 -5.452 -2.465 620 HG12 ILE 79 HG12 ILE 79 -3.749 -6.845 -4.533 621 HG13 ILE 79 HG11 ILE 79 -4.399 -5.614 -3.450 622 HG21 ILE 79 HG21 ILE 79 -1.243 -6.682 -4.620 623 HG22 ILE 79 HG22 ILE 79 -1.473 -8.142 -3.664 624 HG23 ILE 79 HG23 ILE 79 -0.363 -6.885 -3.123 625 HD11 ILE 79 HD11 ILE 79 -3.742 -4.761 -5.705 626 HD12 ILE 79 HD12 ILE 79 -2.071 -5.161 -5.312 627 HD13 ILE 79 HD13 ILE 79 -2.933 -3.945 -4.369 628 H HIS 80 HN HIS 80 -2.205 -6.261 0.683 629 HA HIS 80 HA HIS 80 -4.739 -4.853 1.233 630 HB2 HIS 80 HB2 HIS 80 -2.197 -5.214 2.875 631 HB3 HIS 80 HB1 HIS 80 -3.429 -4.067 3.337 632 HD1 HIS 80 HD1 HIS 80 -2.602 -6.278 5.173 633 HD2 HIS 80 HD2 HIS 80 -5.821 -6.646 2.555 634 HE1 HIS 80 HE1 HIS 80 -4.094 -8.024 6.167 635 HE2 HIS 80 HE2 HIS 80 -6.097 -8.114 4.652 636 H VAL 81 HN VAL 81 -4.945 -2.489 0.932 637 HA VAL 81 HA VAL 81 -2.568 -1.166 -0.211 638 HB VAL 81 HB VAL 81 -5.422 -1.109 -1.389 639 HG11 VAL 81 HG11 VAL 81 -4.388 -0.075 -3.375 640 HG12 VAL 81 HG12 VAL 81 -3.006 0.297 -2.405 641 HG13 VAL 81 HG13 VAL 81 -4.553 0.945 -1.981 642 HG21 VAL 81 HG21 VAL 81 -3.476 -3.075 -1.915 643 HG22 VAL 81 HG22 VAL 81 -3.474 -2.001 -3.300 644 HG23 VAL 81 HG23 VAL 81 -4.962 -2.770 -2.785 645 H ASN 82 HN ASN 82 -2.126 0.927 0.885 646 HA ASN 82 HA ASN 82 -4.329 2.451 2.074 647 HB2 ASN 82 HB2 ASN 82 -3.781 0.535 3.803 648 HB3 ASN 82 HB1 ASN 82 -2.325 1.472 4.171 649 HD21 ASN 82 HD21 ASN 82 -5.797 1.429 4.138 650 HD22 ASN 82 HD22 ASN 82 -6.028 2.730 5.255 651 H TYR 83 HN TYR 83 -3.143 4.370 3.598 652 HA TYR 83 HA TYR 83 -1.389 5.581 1.587 653 HB2 TYR 83 HB2 TYR 83 -3.138 7.138 2.021 654 HB3 TYR 83 HB1 TYR 83 -3.160 6.771 3.750 655 HD1 TYR 83 HD1 TYR 83 -1.101 8.490 1.104 656 HD2 TYR 83 HD2 TYR 83 -2.143 8.295 5.244 657 HE1 TYR 83 HE1 TYR 83 0.137 10.554 1.520 658 HE2 TYR 83 HE2 TYR 83 -0.895 10.379 5.640 659 HH TYR 83 HH TYR 83 1.019 11.618 4.538 660 H SER 84 HN SER 84 0.721 6.910 2.399 661 HA SER 84 HA SER 84 1.837 5.414 4.713 662 HB2 SER 84 HB2 SER 84 3.351 5.929 2.122 663 HB3 SER 84 HB1 SER 84 3.995 5.199 3.578 664 HG SER 84 HG SER 84 3.430 3.519 2.284 665 H LYS 85 HN LYS 85 4.280 6.381 5.022 666 HA LYS 85 HA LYS 85 3.876 9.298 5.322 667 HB2 LYS 85 HB2 LYS 85 4.230 7.913 7.529 668 HB3 LYS 85 HB1 LYS 85 5.899 7.697 6.993 669 HG2 LYS 85 HG2 LYS 85 5.798 9.415 8.666 670 HG3 LYS 85 HG1 LYS 85 6.241 10.151 7.123 671 HD2 LYS 85 HD2 LYS 85 4.072 11.113 6.849 672 HD3 LYS 85 HD1 LYS 85 3.354 10.033 8.037 673 HE2 LYS 85 HE2 LYS 85 5.206 12.363 8.574 674 HE3 LYS 85 HE1 LYS 85 3.493 12.242 8.957 675 HZ1 LYS 85 HZ1 LYS 85 4.813 11.841 10.912 676 HZ2 LYS 85 HZ2 LYS 85 5.652 10.590 10.152 677 HZ3 LYS 85 HZ3 LYS 85 4.002 10.422 10.482 678 H THR 86 HN THR 86 5.896 10.697 4.799 679 HA THR 86 HA THR 86 7.908 9.245 3.242 680 HB THR 86 HB THR 86 7.817 11.390 1.661 681 HG1 THR 86 HG1 THR 86 5.477 11.808 1.281 682 HG21 THR 86 HG21 THR 86 7.644 9.169 0.751 683 HG22 THR 86 HG22 THR 86 6.339 10.148 0.077 684 HG23 THR 86 HG23 THR 86 5.999 8.997 1.364 Start of MODEL 2 1 H1 GLY -2 HT1 GLY -2 -13.223 -7.300 -0.031 2 H2 GLY -2 HT2 GLY -2 -14.486 -6.183 -0.118 3 H3 GLY -2 HT3 GLY -2 -13.913 -6.697 1.388 4 HA2 GLY -2 HA1 GLY -2 -12.371 -5.114 -0.597 5 HA3 GLY -2 HA2 GLY -2 -13.104 -4.474 0.867 6 H SER -1 HN SER -1 -10.822 -3.789 1.233 7 HA SER -1 HA SER -1 -9.299 -5.970 2.481 8 HB2 SER -1 HB2 SER -1 -8.307 -3.595 0.919 9 HB3 SER -1 HB1 SER -1 -7.256 -4.466 2.036 10 HG SER -1 HG SER -1 -7.938 -5.126 -0.467 11 H HIS 0 HN HIS 0 -9.205 -2.381 2.624 12 HA HIS 0 HA HIS 0 -9.974 -2.481 5.409 13 HB2 HIS 0 HB2 HIS 0 -7.511 -2.772 5.490 14 HB3 HIS 0 HB1 HIS 0 -7.305 -1.272 4.604 15 HD1 HIS 0 HD1 HIS 0 -6.289 0.287 6.284 16 HD2 HIS 0 HD2 HIS 0 -9.486 -1.860 7.873 17 HE1 HIS 0 HE1 HIS 0 -6.629 1.187 8.614 18 HE2 HIS 0 HE2 HIS 0 -8.464 -0.233 9.599 19 H MET 1 HN MET 1 -8.284 0.077 3.625 20 HA MET 1 HA MET 1 -8.753 2.219 3.196 21 HB2 MET 1 HB2 MET 1 -10.038 1.135 1.372 22 HB3 MET 1 HB1 MET 1 -11.430 0.993 2.423 23 HG2 MET 1 HG2 MET 1 -10.796 3.786 2.185 24 HG3 MET 1 HG1 MET 1 -10.807 3.063 0.578 25 HE1 MET 1 HE1 MET 1 -12.997 0.733 0.918 26 HE2 MET 1 HE2 MET 1 -13.015 1.834 -0.463 27 HE3 MET 1 HE3 MET 1 -14.481 1.579 0.487 28 H SER 2 HN SER 2 -8.713 2.108 5.828 29 HA SER 2 HA SER 2 -10.795 4.063 6.483 30 HB2 SER 2 HB2 SER 2 -11.480 1.880 7.468 31 HB3 SER 2 HB1 SER 2 -9.994 1.826 8.417 32 HG SER 2 HG SER 2 -12.317 3.208 8.864 33 H ASP 3 HN ASP 3 -9.358 5.816 6.263 34 HA ASP 3 HA ASP 3 -7.645 6.552 8.311 35 HB2 ASP 3 HB2 ASP 3 -6.141 4.734 7.605 36 HB3 ASP 3 HB1 ASP 3 -6.132 5.368 5.948 37 H ASN 4 HN ASN 4 -6.929 6.917 4.753 38 HA ASN 4 HA ASN 4 -8.639 9.191 4.483 39 HB2 ASN 4 HB2 ASN 4 -6.938 10.885 3.902 40 HB3 ASN 4 HB1 ASN 4 -6.813 10.415 5.591 41 HD21 ASN 4 HD21 ASN 4 -5.021 9.222 6.266 42 HD22 ASN 4 HD22 ASN 4 -3.583 9.124 5.311 43 H ASN 5 HN ASN 5 -8.348 10.207 2.253 44 HA ASN 5 HA ASN 5 -8.536 8.083 0.375 45 HB2 ASN 5 HB2 ASN 5 -8.397 11.058 -0.233 46 HB3 ASN 5 HB1 ASN 5 -8.963 9.818 -1.351 47 HD21 ASN 5 HD21 ASN 5 -10.932 8.757 -0.900 48 HD22 ASN 5 HD22 ASN 5 -12.126 9.485 0.116 49 H ALA 6 HN ALA 6 -5.665 9.681 1.326 50 HA ALA 6 HA ALA 6 -3.531 9.614 0.701 51 HB1 ALA 6 HB1 ALA 6 -4.216 7.712 -1.526 52 HB2 ALA 6 HB2 ALA 6 -3.923 7.213 0.138 53 HB3 ALA 6 HB3 ALA 6 -2.645 7.987 -0.791 54 H THR 7 HN THR 7 -2.806 11.549 -0.060 55 HA THR 7 HA THR 7 -3.015 11.777 -2.993 56 HB THR 7 HB THR 7 -3.447 13.914 -1.978 57 HG1 THR 7 HG1 THR 7 -0.770 14.106 -2.919 58 HG21 THR 7 HG21 THR 7 -0.791 13.657 -0.562 59 HG22 THR 7 HG22 THR 7 -2.389 13.789 0.177 60 HG23 THR 7 HG23 THR 7 -1.706 15.158 -0.694 61 H ASP 8 HN ASP 8 -1.320 11.079 -4.230 62 HA ASP 8 HA ASP 8 0.548 10.550 -5.163 63 HB2 ASP 8 HB2 ASP 8 2.198 12.299 -5.105 64 HB3 ASP 8 HB1 ASP 8 0.732 13.040 -4.606 65 H ILE 9 HN ILE 9 0.082 9.092 -2.300 66 HA ILE 9 HA ILE 9 2.647 7.706 -2.260 67 HB ILE 9 HB ILE 9 1.444 8.701 0.371 68 HG12 ILE 9 HG12 ILE 9 4.054 9.608 -0.866 69 HG13 ILE 9 HG11 ILE 9 2.575 10.303 -1.370 70 HG21 ILE 9 HG21 ILE 9 4.125 7.386 -0.131 71 HG22 ILE 9 HG22 ILE 9 2.680 6.494 0.319 72 HG23 ILE 9 HG23 ILE 9 3.330 7.684 1.411 73 HD11 ILE 9 HD11 ILE 9 2.147 11.253 0.770 74 HD12 ILE 9 HD12 ILE 9 3.782 11.666 0.256 75 HD13 ILE 9 HD13 ILE 9 3.535 10.423 1.468 76 H LEU 10 HN LEU 10 2.351 5.540 -2.457 77 HA LEU 10 HA LEU 10 -0.284 4.478 -1.628 78 HB2 LEU 10 HB2 LEU 10 0.920 4.714 -4.287 79 HB3 LEU 10 HB1 LEU 10 0.304 3.113 -3.932 80 HG LEU 10 HG LEU 10 -1.251 4.749 -5.214 81 HD11 LEU 10 HD11 LEU 10 -2.161 3.240 -2.834 82 HD12 LEU 10 HD12 LEU 10 -1.985 2.675 -4.483 83 HD13 LEU 10 HD13 LEU 10 -3.205 3.871 -4.068 84 HD21 LEU 10 HD21 LEU 10 -2.048 5.807 -2.472 85 HD22 LEU 10 HD22 LEU 10 -2.643 6.308 -4.032 86 HD23 LEU 10 HD23 LEU 10 -1.021 6.740 -3.547 87 H PHE 11 HN PHE 11 0.493 3.117 0.196 88 HA PHE 11 HA PHE 11 2.467 1.129 0.019 89 HB2 PHE 11 HB2 PHE 11 1.915 1.859 2.209 90 HB3 PHE 11 HB1 PHE 11 0.209 1.845 1.902 91 HD1 PHE 11 HD1 PHE 11 -0.944 -0.574 1.882 92 HD2 PHE 11 HD2 PHE 11 2.877 0.263 3.648 93 HE1 PHE 11 HE1 PHE 11 -1.227 -2.438 3.432 94 HE2 PHE 11 HE2 PHE 11 2.555 -1.615 5.155 95 HZ PHE 11 HZ PHE 11 0.532 -2.972 5.058 96 H VAL 12 HN VAL 12 2.447 -0.584 -1.401 97 HA VAL 12 HA VAL 12 0.067 -2.336 -1.398 98 HB VAL 12 HB VAL 12 2.270 -2.804 -3.438 99 HG11 VAL 12 HG11 VAL 12 0.444 -4.537 -3.054 100 HG12 VAL 12 HG12 VAL 12 0.887 -4.099 -4.693 101 HG13 VAL 12 HG13 VAL 12 -0.570 -3.436 -3.983 102 HG21 VAL 12 HG21 VAL 12 1.717 -0.604 -4.110 103 HG22 VAL 12 HG22 VAL 12 0.001 -0.901 -3.939 104 HG23 VAL 12 HG23 VAL 12 0.905 -1.697 -5.212 105 H GLY 13 HN GLY 13 0.586 -3.750 0.539 106 HA2 GLY 13 HA2 GLY 13 3.082 -5.325 0.263 107 HA3 GLY 13 HA1 GLY 13 2.166 -5.103 1.753 108 H GLY 14 HN GLY 14 2.682 -7.659 1.259 109 HA2 GLY 14 HA2 GLY 14 1.586 -9.674 0.979 110 HA3 GLY 14 HA1 GLY 14 0.139 -8.762 0.746 111 H ILE 15 HN ILE 15 3.140 -9.033 -1.293 112 HA ILE 15 HA ILE 15 1.275 -9.717 -3.390 113 HB ILE 15 HB ILE 15 3.353 -8.945 -4.918 114 HG12 ILE 15 HG12 ILE 15 3.664 -7.518 -2.314 115 HG13 ILE 15 HG11 ILE 15 4.861 -7.901 -3.535 116 HG21 ILE 15 HG21 ILE 15 2.004 -7.018 -5.425 117 HG22 ILE 15 HG22 ILE 15 1.192 -7.122 -3.862 118 HG23 ILE 15 HG23 ILE 15 0.939 -8.377 -5.072 119 HD11 ILE 15 HD11 ILE 15 4.713 -5.552 -3.417 120 HD12 ILE 15 HD12 ILE 15 2.955 -5.582 -3.477 121 HD13 ILE 15 HD13 ILE 15 3.898 -6.000 -4.907 122 H ASP 16 HN ASP 16 1.879 -11.293 -5.040 123 HA ASP 16 HA ASP 16 2.669 -13.706 -3.865 124 HB2 ASP 16 HB2 ASP 16 1.245 -14.298 -5.453 125 HB3 ASP 16 HB1 ASP 16 1.433 -12.814 -6.337 126 H GLU 17 HN GLU 17 4.342 -15.349 -4.913 127 HA GLU 17 HA GLU 17 6.868 -13.921 -4.728 128 HB2 GLU 17 HB2 GLU 17 7.952 -16.173 -4.347 129 HB3 GLU 17 HB1 GLU 17 6.649 -15.838 -3.204 130 HG2 GLU 17 HG2 GLU 17 5.147 -17.309 -4.565 131 HG3 GLU 17 HG1 GLU 17 6.515 -17.656 -5.616 132 H THR 18 HN THR 18 5.282 -14.758 -7.665 133 HA THR 18 HA THR 18 7.916 -14.943 -8.915 134 HB THR 18 HB THR 18 6.399 -16.800 -9.656 135 HG1 THR 18 HG1 THR 18 8.144 -16.077 -10.919 136 HG21 THR 18 HG21 THR 18 4.844 -14.591 -11.024 137 HG22 THR 18 HG22 THR 18 4.197 -15.836 -9.951 138 HG23 THR 18 HG23 THR 18 4.803 -16.264 -11.539 139 H ILE 19 HN ILE 19 6.626 -12.355 -7.939 140 HA ILE 19 HA ILE 19 6.749 -10.921 -10.506 141 HB ILE 19 HB ILE 19 5.893 -8.805 -9.431 142 HG12 ILE 19 HG12 ILE 19 4.936 -8.593 -7.360 143 HG13 ILE 19 HG11 ILE 19 4.314 -10.191 -7.325 144 HG21 ILE 19 HG21 ILE 19 4.501 -10.184 -10.907 145 HG22 ILE 19 HG22 ILE 19 3.583 -9.265 -9.728 146 HG23 ILE 19 HG23 ILE 19 3.814 -10.983 -9.498 147 HD11 ILE 19 HD11 ILE 19 5.738 -10.218 -5.570 148 HD12 ILE 19 HD12 ILE 19 6.894 -9.118 -6.327 149 HD13 ILE 19 HD13 ILE 19 6.811 -10.810 -6.828 150 H ASP 20 HN ASP 20 7.851 -8.715 -10.430 151 HA ASP 20 HA ASP 20 9.954 -8.521 -8.437 152 HB2 ASP 20 HB2 ASP 20 10.739 -9.847 -10.513 153 HB3 ASP 20 HB1 ASP 20 10.743 -8.312 -11.356 154 H GLU 21 HN GLU 21 11.352 -6.414 -9.142 155 HA GLU 21 HA GLU 21 9.786 -4.167 -8.688 156 HB2 GLU 21 HB2 GLU 21 12.180 -4.051 -8.155 157 HB3 GLU 21 HB1 GLU 21 12.618 -4.337 -9.799 158 HG2 GLU 21 HG2 GLU 21 11.266 -1.791 -9.073 159 HG3 GLU 21 HG1 GLU 21 12.959 -2.040 -8.729 160 H LYS 22 HN LYS 22 11.150 -4.994 -11.920 161 HA LYS 22 HA LYS 22 9.980 -2.756 -13.108 162 HB2 LYS 22 HB2 LYS 22 10.689 -4.698 -15.133 163 HB3 LYS 22 HB1 LYS 22 11.307 -3.095 -14.867 164 HG2 LYS 22 HG2 LYS 22 13.175 -4.520 -14.898 165 HG3 LYS 22 HG1 LYS 22 12.964 -4.117 -13.197 166 HD2 LYS 22 HD2 LYS 22 11.799 -6.322 -12.888 167 HD3 LYS 22 HD1 LYS 22 12.112 -6.688 -14.580 168 HE2 LYS 22 HE2 LYS 22 14.231 -6.117 -12.510 169 HE3 LYS 22 HE1 LYS 22 13.752 -7.721 -13.061 170 HZ1 LYS 22 HZ1 LYS 22 14.501 -7.186 -15.265 171 HZ2 LYS 22 HZ2 LYS 22 15.755 -6.902 -14.168 172 HZ3 LYS 22 HZ3 LYS 22 14.883 -5.601 -14.806 173 H SER 23 HN SER 23 8.822 -6.096 -12.926 174 HA SER 23 HA SER 23 6.774 -5.927 -14.802 175 HB2 SER 23 HB2 SER 23 6.321 -7.617 -12.408 176 HB3 SER 23 HB1 SER 23 6.254 -8.024 -14.113 177 HG SER 23 HG SER 23 8.093 -8.939 -13.696 178 H LEU 24 HN LEU 24 6.541 -5.367 -11.236 179 HA LEU 24 HA LEU 24 3.798 -4.650 -11.223 180 HB2 LEU 24 HB2 LEU 24 5.921 -4.107 -9.143 181 HB3 LEU 24 HB1 LEU 24 4.290 -3.512 -8.995 182 HG LEU 24 HG LEU 24 4.795 -6.425 -9.437 183 HD11 LEU 24 HD11 LEU 24 6.143 -5.738 -7.417 184 HD12 LEU 24 HD12 LEU 24 4.798 -6.787 -7.015 185 HD13 LEU 24 HD13 LEU 24 4.672 -5.081 -6.716 186 HD21 LEU 24 HD21 LEU 24 2.681 -6.554 -8.024 187 HD22 LEU 24 HD22 LEU 24 2.496 -5.922 -9.646 188 HD23 LEU 24 HD23 LEU 24 2.528 -4.824 -8.268 189 H TYR 25 HN TYR 25 6.474 -2.681 -12.243 190 HA TYR 25 HA TYR 25 5.300 -0.120 -12.239 191 HB2 TYR 25 HB2 TYR 25 7.725 -0.521 -12.768 192 HB3 TYR 25 HB1 TYR 25 7.303 -1.326 -14.251 193 HD1 TYR 25 HD2 TYR 25 5.508 0.808 -15.543 194 HD2 TYR 25 HD1 TYR 25 9.210 1.144 -13.368 195 HE1 TYR 25 HE2 TYR 25 6.019 2.885 -16.712 196 HE2 TYR 25 HE1 TYR 25 9.684 3.231 -14.575 197 HH TYR 25 HH TYR 25 7.349 4.812 -16.568 198 H ASP 26 HN ASP 26 5.457 -2.376 -15.080 199 HA ASP 26 HA ASP 26 3.761 -1.015 -16.750 200 HB2 ASP 26 HB2 ASP 26 5.078 -3.610 -16.853 201 HB3 ASP 26 HB1 ASP 26 3.572 -3.566 -17.758 202 H ILE 27 HN ILE 27 2.559 -3.508 -14.411 203 HA ILE 27 HA ILE 27 -0.026 -3.348 -15.629 204 HB ILE 27 HB ILE 27 0.446 -4.434 -12.795 205 HG12 ILE 27 HG12 ILE 27 0.023 -6.538 -14.718 206 HG13 ILE 27 HG11 ILE 27 1.351 -5.591 -15.343 207 HG21 ILE 27 HG21 ILE 27 -1.571 -5.672 -13.167 208 HG22 ILE 27 HG22 ILE 27 -1.704 -5.019 -14.795 209 HG23 ILE 27 HG23 ILE 27 -1.870 -3.957 -13.404 210 HD11 ILE 27 HD11 ILE 27 2.182 -7.468 -14.131 211 HD12 ILE 27 HD12 ILE 27 1.237 -7.076 -12.702 212 HD13 ILE 27 HD13 ILE 27 2.574 -6.027 -13.201 213 H PHE 28 HN PHE 28 1.395 -1.446 -12.834 214 HA PHE 28 HA PHE 28 -1.071 0.010 -12.527 215 HB2 PHE 28 HB2 PHE 28 1.647 0.109 -11.299 216 HB3 PHE 28 HB1 PHE 28 0.509 1.430 -11.048 217 HD1 PHE 28 HD2 PHE 28 0.667 -2.293 -10.745 218 HD2 PHE 28 HD1 PHE 28 -0.816 1.408 -9.275 219 HE1 PHE 28 HE2 PHE 28 -0.355 -3.466 -8.846 220 HE2 PHE 28 HE1 PHE 28 -1.837 0.257 -7.357 221 HZ PHE 28 HZ PHE 28 -1.610 -2.192 -7.137 222 H SER 29 HN SER 29 1.316 0.308 -15.020 223 HA SER 29 HA SER 29 1.400 3.200 -14.900 224 HB2 SER 29 HB2 SER 29 2.799 2.969 -17.041 225 HB3 SER 29 HB1 SER 29 3.579 2.491 -15.541 226 HG SER 29 HG SER 29 3.805 0.972 -17.300 227 H SER 30 HN SER 30 -0.756 0.982 -16.082 228 HA SER 30 HA SER 30 -1.389 2.013 -18.640 229 HB2 SER 30 HB2 SER 30 -3.593 0.753 -18.286 230 HB3 SER 30 HB1 SER 30 -2.131 -0.219 -18.169 231 HG SER 30 HG SER 30 -2.493 -0.534 -16.100 232 H PHE 31 HN PHE 31 -2.878 2.742 -15.387 233 HA PHE 31 HA PHE 31 -4.101 5.095 -16.573 234 HB2 PHE 31 HB2 PHE 31 -4.314 3.685 -13.994 235 HB3 PHE 31 HB1 PHE 31 -4.413 5.436 -13.885 236 HD1 PHE 31 HD2 PHE 31 -5.830 2.704 -16.038 237 HD2 PHE 31 HD1 PHE 31 -6.499 6.332 -13.907 238 HE1 PHE 31 HE2 PHE 31 -8.215 2.621 -16.644 239 HE2 PHE 31 HE1 PHE 31 -8.881 6.253 -14.509 240 HZ PHE 31 HZ PHE 31 -9.742 4.397 -15.880 241 H GLY 32 HN GLY 32 -1.352 4.459 -14.354 242 HA2 GLY 32 HA2 GLY 32 -0.547 7.290 -14.674 243 HA3 GLY 32 HA1 GLY 32 -0.603 6.508 -13.122 244 H ASP 33 HN ASP 33 1.450 7.331 -15.546 245 HA ASP 33 HA ASP 33 3.511 5.431 -15.287 246 HB2 ASP 33 HB2 ASP 33 3.697 8.349 -16.029 247 HB3 ASP 33 HB1 ASP 33 5.113 7.320 -15.916 248 H ILE 34 HN ILE 34 5.814 5.993 -14.145 249 HA ILE 34 HA ILE 34 4.949 6.253 -11.323 250 HB ILE 34 HB ILE 34 6.616 4.029 -12.579 251 HG12 ILE 34 HG12 ILE 34 4.275 3.371 -12.755 252 HG13 ILE 34 HG11 ILE 34 4.974 2.469 -11.451 253 HG21 ILE 34 HG21 ILE 34 7.790 4.414 -10.626 254 HG22 ILE 34 HG22 ILE 34 6.830 2.981 -10.333 255 HG23 ILE 34 HG23 ILE 34 6.347 4.522 -9.649 256 HD11 ILE 34 HD11 ILE 34 2.659 3.853 -11.332 257 HD12 ILE 34 HD12 ILE 34 3.751 4.907 -10.479 258 HD13 ILE 34 HD13 ILE 34 3.575 3.240 -9.968 259 H ARG 35 HN ARG 35 6.489 7.289 -9.723 260 HA ARG 35 HA ARG 35 8.776 8.691 -10.879 261 HB2 ARG 35 HB2 ARG 35 7.116 9.226 -8.575 262 HB3 ARG 35 HB1 ARG 35 8.760 9.042 -7.965 263 HG2 ARG 35 HG2 ARG 35 9.551 10.928 -9.071 264 HG3 ARG 35 HG1 ARG 35 8.217 11.015 -10.191 265 HD2 ARG 35 HD2 ARG 35 7.081 11.242 -7.604 266 HD3 ARG 35 HD1 ARG 35 8.526 12.239 -7.615 267 HE ARG 35 HE ARG 35 6.701 12.633 -9.840 268 HH11 ARG 35 HH12 ARG 35 7.756 13.696 -6.655 269 HH12 ARG 35 HH11 ARG 35 7.054 15.275 -6.802 270 HH21 ARG 35 HH22 ARG 35 5.749 14.740 -10.007 271 HH22 ARG 35 HH21 ARG 35 5.917 15.861 -8.698 272 H ASN 36 HN ASN 36 8.641 5.919 -8.482 273 HA ASN 36 HA ASN 36 11.400 5.280 -8.704 274 HB2 ASN 36 HB2 ASN 36 11.575 7.538 -7.477 275 HB3 ASN 36 HB1 ASN 36 10.710 6.772 -6.146 276 HD21 ASN 36 HD21 ASN 36 11.867 5.748 -4.616 277 HD22 ASN 36 HD22 ASN 36 13.530 5.329 -4.774 278 H ILE 37 HN ILE 37 11.536 2.966 -7.756 279 HA ILE 37 HA ILE 37 9.169 2.303 -6.086 280 HB ILE 37 HB ILE 37 10.397 0.109 -7.732 281 HG12 ILE 37 HG12 ILE 37 8.953 2.429 -8.944 282 HG13 ILE 37 HG11 ILE 37 10.212 1.411 -9.610 283 HG21 ILE 37 HG21 ILE 37 7.984 -0.627 -7.912 284 HG22 ILE 37 HG22 ILE 37 7.605 0.641 -6.759 285 HG23 ILE 37 HG23 ILE 37 8.690 -0.654 -6.300 286 HD11 ILE 37 HD11 ILE 37 7.341 0.529 -9.314 287 HD12 ILE 37 HD12 ILE 37 8.645 -0.322 -10.142 288 HD13 ILE 37 HD13 ILE 37 8.042 1.210 -10.778 289 H GLU 38 HN GLU 38 9.644 1.508 -4.051 290 HA GLU 38 HA GLU 38 12.179 -0.036 -3.886 291 HB2 GLU 38 HB2 GLU 38 12.280 2.030 -2.389 292 HB3 GLU 38 HB1 GLU 38 10.951 1.421 -1.473 293 HG2 GLU 38 HG2 GLU 38 13.267 -0.370 -1.578 294 HG3 GLU 38 HG1 GLU 38 13.560 1.177 -0.850 295 H VAL 39 HN VAL 39 11.703 -2.090 -4.282 296 HA VAL 39 HA VAL 39 9.868 -3.462 -2.374 297 HB VAL 39 HB VAL 39 10.245 -4.321 -5.310 298 HG11 VAL 39 HG11 VAL 39 8.721 -6.171 -4.913 299 HG12 VAL 39 HG12 VAL 39 8.505 -5.681 -3.234 300 HG13 VAL 39 HG13 VAL 39 10.076 -6.268 -3.786 301 HG21 VAL 39 HG21 VAL 39 8.526 -2.677 -5.453 302 HG22 VAL 39 HG22 VAL 39 7.774 -3.241 -3.975 303 HG23 VAL 39 HG23 VAL 39 7.698 -4.224 -5.417 304 HA PRO 40 HA PRO 40 14.145 -5.403 -1.926 305 HB2 PRO 40 HB2 PRO 40 13.677 -6.330 0.603 306 HB3 PRO 40 HB1 PRO 40 14.302 -4.705 0.268 307 HG2 PRO 40 HG2 PRO 40 11.479 -5.551 0.709 308 HG3 PRO 40 HG1 PRO 40 12.397 -4.252 1.519 309 HD2 PRO 40 HD2 PRO 40 10.788 -3.579 -0.459 310 HD3 PRO 40 HD1 PRO 40 12.428 -2.928 -0.390 311 H LEU 41 HN LEU 41 14.620 -7.656 -2.161 312 HA LEU 41 HA LEU 41 12.411 -9.543 -1.920 313 HB2 LEU 41 HB2 LEU 41 12.940 -8.315 -4.499 314 HB3 LEU 41 HB1 LEU 41 13.451 -9.984 -4.604 315 HG LEU 41 HG LEU 41 11.283 -10.818 -4.532 316 HD11 LEU 41 HD11 LEU 41 10.084 -8.272 -3.354 317 HD12 LEU 41 HD12 LEU 41 10.409 -9.730 -2.413 318 HD13 LEU 41 HD13 LEU 41 9.259 -9.769 -3.743 319 HD21 LEU 41 HD21 LEU 41 10.825 -8.062 -5.654 320 HD22 LEU 41 HD22 LEU 41 9.950 -9.539 -6.043 321 HD23 LEU 41 HD23 LEU 41 11.639 -9.380 -6.507 322 H ASN 42 HN ASN 42 13.399 -11.935 -2.090 323 HA ASN 42 HA ASN 42 16.235 -11.653 -1.336 324 HB2 ASN 42 HB2 ASN 42 14.563 -12.504 0.529 325 HB3 ASN 42 HB1 ASN 42 14.564 -14.024 -0.378 326 HD21 ASN 42 HD21 ASN 42 15.371 -13.697 2.262 327 HD22 ASN 42 HD22 ASN 42 17.047 -14.108 2.354 328 H MET 43 HN MET 43 17.789 -13.146 -2.396 329 HA MET 43 HA MET 43 16.782 -14.081 -4.933 330 HB2 MET 43 HB2 MET 43 19.422 -13.510 -3.836 331 HB3 MET 43 HB1 MET 43 19.436 -15.025 -4.727 332 HG2 MET 43 HG2 MET 43 18.133 -12.739 -6.133 333 HG3 MET 43 HG1 MET 43 19.876 -12.618 -5.844 334 HE1 MET 43 HE1 MET 43 20.986 -12.844 -8.083 335 HE2 MET 43 HE2 MET 43 21.336 -14.486 -8.623 336 HE3 MET 43 HE3 MET 43 21.662 -14.020 -6.954 337 H THR 44 HN THR 44 16.592 -15.806 -2.040 338 HA THR 44 HA THR 44 16.964 -18.315 -3.441 339 HB THR 44 HB THR 44 16.595 -17.960 -0.415 340 HG1 THR 44 HG1 THR 44 18.785 -17.963 -2.136 341 HG21 THR 44 HG21 THR 44 15.913 -20.271 -1.328 342 HG22 THR 44 HG22 THR 44 17.182 -20.229 -0.106 343 HG23 THR 44 HG23 THR 44 17.607 -20.466 -1.796 344 H THR 45 HN THR 45 14.205 -16.739 -1.527 345 HA THR 45 HA THR 45 12.510 -18.555 -3.140 346 HB THR 45 HB THR 45 10.886 -18.815 -1.507 347 HG1 THR 45 HG1 THR 45 10.168 -16.975 -0.830 348 HG21 THR 45 HG21 THR 45 12.965 -18.170 0.583 349 HG22 THR 45 HG22 THR 45 13.178 -19.580 -0.480 350 HG23 THR 45 HG23 THR 45 11.761 -19.445 0.548 351 H LYS 46 HN LYS 46 13.342 -15.306 -3.265 352 HA LYS 46 HA LYS 46 12.424 -13.315 -3.784 353 HB2 LYS 46 HB2 LYS 46 12.147 -14.625 -5.882 354 HB3 LYS 46 HB1 LYS 46 10.544 -15.131 -5.430 355 HG2 LYS 46 HG2 LYS 46 10.006 -13.542 -6.903 356 HG3 LYS 46 HG1 LYS 46 10.121 -12.475 -5.506 357 HD2 LYS 46 HD2 LYS 46 11.284 -11.376 -7.211 358 HD3 LYS 46 HD1 LYS 46 12.561 -12.106 -6.265 359 HE2 LYS 46 HE2 LYS 46 12.813 -13.878 -7.867 360 HE3 LYS 46 HE1 LYS 46 11.390 -13.341 -8.755 361 HZ1 LYS 46 HZ1 LYS 46 12.610 -11.203 -9.139 362 HZ2 LYS 46 HZ2 LYS 46 13.284 -12.554 -9.908 363 HZ3 LYS 46 HZ3 LYS 46 13.994 -11.942 -8.497 364 H LYS 47 HN LYS 47 11.226 -14.609 -1.317 365 HA LYS 47 HA LYS 47 8.671 -13.575 -0.823 366 HB2 LYS 47 HB2 LYS 47 9.420 -13.797 1.620 367 HB3 LYS 47 HB1 LYS 47 9.542 -15.231 0.629 368 HG2 LYS 47 HG2 LYS 47 11.482 -15.304 1.859 369 HG3 LYS 47 HG1 LYS 47 12.039 -14.588 0.361 370 HD2 LYS 47 HD2 LYS 47 13.049 -13.487 2.249 371 HD3 LYS 47 HD1 LYS 47 11.974 -12.346 1.417 372 HE2 LYS 47 HE2 LYS 47 11.806 -12.240 3.903 373 HE3 LYS 47 HE1 LYS 47 10.281 -12.629 3.122 374 HZ1 LYS 47 HZ1 LYS 47 10.616 -14.944 3.651 375 HZ2 LYS 47 HZ2 LYS 47 10.690 -14.023 5.062 376 HZ3 LYS 47 HZ3 LYS 47 12.119 -14.606 4.355 377 H ASN 48 HN ASN 48 7.913 -11.540 0.045 378 HA ASN 48 HA ASN 48 9.967 -9.393 0.035 379 HB2 ASN 48 HB2 ASN 48 8.133 -7.787 -0.370 380 HB3 ASN 48 HB1 ASN 48 8.331 -8.937 -1.683 381 HD21 ASN 48 HD21 ASN 48 6.732 -10.559 -1.992 382 HD22 ASN 48 HD22 ASN 48 5.159 -10.399 -1.286 383 H ARG 49 HN ARG 49 8.222 -11.198 2.293 384 HA ARG 49 HA ARG 49 7.265 -10.878 4.308 385 HB2 ARG 49 HB2 ARG 49 8.769 -9.281 5.898 386 HB3 ARG 49 HB1 ARG 49 9.169 -10.942 5.551 387 HG2 ARG 49 HG2 ARG 49 10.655 -10.042 3.678 388 HG3 ARG 49 HG1 ARG 49 10.456 -8.441 4.467 389 HD2 ARG 49 HD2 ARG 49 11.465 -9.355 6.516 390 HD3 ARG 49 HD1 ARG 49 11.642 -10.933 5.735 391 HE ARG 49 HE ARG 49 12.850 -9.041 4.105 392 HH11 ARG 49 HH12 ARG 49 13.350 -10.477 7.253 393 HH12 ARG 49 HH11 ARG 49 15.079 -10.317 7.194 394 HH21 ARG 49 HH21 ARG 49 15.109 -8.924 3.969 395 HH22 ARG 49 HH22 ARG 49 16.086 -9.425 5.318 396 H GLY 50 HN GLY 50 5.520 -9.591 2.998 397 HA2 GLY 50 HA2 GLY 50 3.648 -8.479 3.541 398 HA3 GLY 50 HA1 GLY 50 4.333 -8.219 5.118 399 H PHE 51 HN PHE 51 5.939 -6.635 2.327 400 HA PHE 51 HA PHE 51 4.611 -4.176 2.923 401 HB2 PHE 51 HB2 PHE 51 5.918 -3.166 4.544 402 HB3 PHE 51 HB1 PHE 51 6.077 -4.820 5.018 403 HD1 PHE 51 HD2 PHE 51 8.322 -5.974 4.737 404 HD2 PHE 51 HD1 PHE 51 7.791 -1.780 4.017 405 HE1 PHE 51 HE2 PHE 51 10.726 -5.611 4.898 406 HE2 PHE 51 HE1 PHE 51 10.188 -1.449 4.189 407 HZ PHE 51 HZ PHE 51 11.675 -3.362 4.626 408 H ALA 52 HN ALA 52 4.867 -2.807 0.974 409 HA ALA 52 HA ALA 52 7.569 -2.329 -0.058 410 HB1 ALA 52 HB1 ALA 52 6.658 -2.607 -2.454 411 HB2 ALA 52 HB2 ALA 52 5.409 -3.607 -1.738 412 HB3 ALA 52 HB3 ALA 52 7.099 -4.066 -1.586 413 H PHE 53 HN PHE 53 7.805 -0.296 -0.963 414 HA PHE 53 HA PHE 53 5.520 1.489 -0.739 415 HB2 PHE 53 HB2 PHE 53 8.434 2.249 -0.912 416 HB3 PHE 53 HB1 PHE 53 7.099 3.323 -0.519 417 HD1 PHE 53 HD1 PHE 53 5.642 1.714 1.655 418 HD2 PHE 53 HD2 PHE 53 9.786 2.274 0.838 419 HE1 PHE 53 HE1 PHE 53 6.192 1.206 3.998 420 HE2 PHE 53 HE2 PHE 53 10.343 1.760 3.126 421 HZ PHE 53 HZ PHE 53 8.532 1.221 4.740 422 H VAL 54 HN VAL 54 4.763 2.943 -2.534 423 HA VAL 54 HA VAL 54 6.122 2.697 -5.098 424 HB VAL 54 HB VAL 54 3.153 1.878 -4.840 425 HG11 VAL 54 HG11 VAL 54 2.643 1.964 -7.085 426 HG12 VAL 54 HG12 VAL 54 4.288 2.265 -7.576 427 HG13 VAL 54 HG13 VAL 54 3.375 3.527 -6.754 428 HG21 VAL 54 HG21 VAL 54 5.234 0.409 -6.430 429 HG22 VAL 54 HG22 VAL 54 3.572 -0.046 -6.154 430 HG23 VAL 54 HG23 VAL 54 4.700 -0.045 -4.822 431 H GLU 55 HN GLU 55 6.517 5.070 -5.496 432 HA GLU 55 HA GLU 55 4.429 6.958 -4.841 433 HB2 GLU 55 HB2 GLU 55 7.278 6.878 -5.396 434 HB3 GLU 55 HB1 GLU 55 6.553 8.256 -6.192 435 HG2 GLU 55 HG2 GLU 55 7.641 8.388 -3.813 436 HG3 GLU 55 HG1 GLU 55 6.260 9.340 -4.193 437 H TYR 56 HN TYR 56 3.016 8.093 -6.436 438 HA TYR 56 HA TYR 56 3.099 7.196 -9.245 439 HB2 TYR 56 HB2 TYR 56 0.931 7.958 -7.439 440 HB3 TYR 56 HB1 TYR 56 0.875 8.948 -8.881 441 HD1 TYR 56 HD2 TYR 56 1.189 5.227 -8.092 442 HD2 TYR 56 HD1 TYR 56 -0.485 8.271 -10.540 443 HE1 TYR 56 HE2 TYR 56 -0.282 3.580 -9.095 444 HE2 TYR 56 HE1 TYR 56 -1.928 6.606 -11.584 445 HH TYR 56 HH TYR 56 -1.981 4.181 -11.959 446 H VAL 57 HN VAL 57 2.419 9.069 -11.080 447 HA VAL 57 HA VAL 57 3.915 11.527 -10.519 448 HB VAL 57 HB VAL 57 3.099 10.300 -13.186 449 HG11 VAL 57 HG11 VAL 57 3.643 13.263 -12.908 450 HG12 VAL 57 HG12 VAL 57 2.402 12.444 -13.870 451 HG13 VAL 57 HG13 VAL 57 4.082 12.349 -14.338 452 HG21 VAL 57 HG21 VAL 57 5.356 10.807 -13.831 453 HG22 VAL 57 HG22 VAL 57 5.349 9.939 -12.322 454 HG23 VAL 57 HG23 VAL 57 5.620 11.665 -12.334 455 H GLU 58 HN GLU 58 0.415 10.768 -10.955 456 HA GLU 58 HA GLU 58 -0.056 13.664 -11.082 457 HB2 GLU 58 HB2 GLU 58 -2.300 12.723 -12.308 458 HB3 GLU 58 HB1 GLU 58 -0.949 13.322 -13.170 459 HG2 GLU 58 HG2 GLU 58 -1.202 10.396 -12.555 460 HG3 GLU 58 HG1 GLU 58 -2.047 11.147 -13.908 461 H VAL 59 HN VAL 59 -1.491 14.543 -9.381 462 HA VAL 59 HA VAL 59 -2.017 12.606 -7.383 463 HB VAL 59 HB VAL 59 -1.802 14.146 -5.928 464 HG11 VAL 59 HG11 VAL 59 -1.506 16.331 -7.911 465 HG12 VAL 59 HG12 VAL 59 -0.237 15.187 -7.443 466 HG13 VAL 59 HG13 VAL 59 -0.918 16.282 -6.253 467 HG21 VAL 59 HG21 VAL 59 -3.071 16.142 -5.430 468 HG22 VAL 59 HG22 VAL 59 -4.142 14.790 -5.744 469 HG23 VAL 59 HG23 VAL 59 -3.884 16.031 -6.976 470 H ASP 60 HN ASP 60 -4.414 13.997 -9.647 471 HA ASP 60 HA ASP 60 -6.683 13.032 -8.133 472 HB2 ASP 60 HB2 ASP 60 -7.022 14.712 -9.904 473 HB3 ASP 60 HB1 ASP 60 -6.685 13.482 -11.129 474 H ASP 61 HN ASP 61 -5.318 11.664 -11.102 475 HA ASP 61 HA ASP 61 -6.422 9.261 -11.324 476 HB2 ASP 61 HB2 ASP 61 -3.456 9.667 -11.866 477 HB3 ASP 61 HB1 ASP 61 -4.503 8.427 -12.558 478 H ALA 62 HN ALA 62 -3.523 9.627 -9.189 479 HA ALA 62 HA ALA 62 -3.215 7.241 -7.992 480 HB1 ALA 62 HB1 ALA 62 -1.987 9.252 -7.298 481 HB2 ALA 62 HB2 ALA 62 -2.591 8.360 -5.926 482 HB3 ALA 62 HB3 ALA 62 -3.402 9.821 -6.436 483 H LYS 63 HN LYS 63 -5.434 9.562 -6.583 484 HA LYS 63 HA LYS 63 -6.925 8.193 -4.734 485 HB2 LYS 63 HB2 LYS 63 -7.563 10.492 -6.432 486 HB3 LYS 63 HB1 LYS 63 -8.963 9.626 -5.868 487 HG2 LYS 63 HG2 LYS 63 -8.860 10.610 -3.894 488 HG3 LYS 63 HG1 LYS 63 -7.223 10.045 -3.628 489 HD2 LYS 63 HD2 LYS 63 -6.306 12.075 -4.589 490 HD3 LYS 63 HD1 LYS 63 -7.905 12.584 -5.153 491 HE2 LYS 63 HE2 LYS 63 -8.638 12.769 -2.844 492 HE3 LYS 63 HE1 LYS 63 -7.040 12.259 -2.294 493 HZ1 LYS 63 HZ1 LYS 63 -6.072 14.209 -3.228 494 HZ2 LYS 63 HZ2 LYS 63 -7.398 14.705 -2.294 495 HZ3 LYS 63 HZ3 LYS 63 -7.521 14.649 -3.983 496 H HIS 64 HN HIS 64 -8.003 8.316 -8.181 497 HA HIS 64 HA HIS 64 -10.089 6.484 -7.818 498 HB2 HIS 64 HB2 HIS 64 -9.001 7.692 -10.230 499 HB3 HIS 64 HB1 HIS 64 -9.707 6.110 -10.451 500 HD1 HIS 64 HD1 HIS 64 -12.034 6.224 -8.513 501 HD2 HIS 64 HD2 HIS 64 -10.966 9.368 -10.996 502 HE1 HIS 64 HE1 HIS 64 -14.103 7.635 -8.740 503 HE2 HIS 64 HE2 HIS 64 -13.404 9.581 -10.177 504 H ALA 65 HN ALA 65 -6.672 5.719 -8.824 505 HA ALA 65 HA ALA 65 -7.183 2.995 -9.239 506 HB1 ALA 65 HB1 ALA 65 -5.151 3.794 -10.119 507 HB2 ALA 65 HB2 ALA 65 -4.775 2.532 -8.956 508 HB3 ALA 65 HB3 ALA 65 -4.527 4.224 -8.539 509 H LEU 66 HN LEU 66 -6.030 4.408 -6.045 510 HA LEU 66 HA LEU 66 -6.176 1.880 -4.852 511 HB2 LEU 66 HB2 LEU 66 -4.945 2.778 -3.240 512 HB3 LEU 66 HB1 LEU 66 -5.200 4.361 -3.859 513 HG LEU 66 HG LEU 66 -7.205 4.520 -2.164 514 HD11 LEU 66 HD11 LEU 66 -5.845 2.194 -0.869 515 HD12 LEU 66 HD12 LEU 66 -7.332 2.047 -1.784 516 HD13 LEU 66 HD13 LEU 66 -7.295 3.050 -0.344 517 HD21 LEU 66 HD21 LEU 66 -5.497 5.770 -1.343 518 HD22 LEU 66 HD22 LEU 66 -4.315 4.480 -1.468 519 HD23 LEU 66 HD23 LEU 66 -5.485 4.484 -0.144 520 H TYR 67 HN TYR 67 -8.925 4.269 -4.882 521 HA TYR 67 HA TYR 67 -10.635 2.631 -3.435 522 HB2 TYR 67 HB2 TYR 67 -10.936 5.028 -4.592 523 HB3 TYR 67 HB1 TYR 67 -11.798 4.059 -5.777 524 HD1 TYR 67 HD1 TYR 67 -11.766 5.323 -2.322 525 HD2 TYR 67 HD2 TYR 67 -13.920 3.002 -5.185 526 HE1 TYR 67 HE1 TYR 67 -13.732 5.345 -0.864 527 HE2 TYR 67 HE2 TYR 67 -15.886 3.033 -3.722 528 HH TYR 67 HH TYR 67 -16.411 3.311 -1.368 529 H ASN 68 HN ASN 68 -9.580 2.104 -6.769 530 HA ASN 68 HA ASN 68 -11.379 -0.175 -7.075 531 HB2 ASN 68 HB2 ASN 68 -10.659 1.259 -9.098 532 HB3 ASN 68 HB1 ASN 68 -9.088 0.452 -9.002 533 HD21 ASN 68 HD21 ASN 68 -8.853 -1.552 -9.841 534 HD22 ASN 68 HD22 ASN 68 -10.117 -2.421 -10.623 535 H MET 69 HN MET 69 -8.623 -0.060 -5.159 536 HA MET 69 HA MET 69 -7.454 -2.459 -6.394 537 HB2 MET 69 HB2 MET 69 -6.139 -0.229 -4.899 538 HB3 MET 69 HB1 MET 69 -5.388 -1.813 -4.896 539 HG2 MET 69 HG2 MET 69 -5.846 0.062 -7.199 540 HG3 MET 69 HG1 MET 69 -4.377 -0.708 -6.651 541 HE1 MET 69 HE1 MET 69 -4.915 -2.067 -10.315 542 HE2 MET 69 HE2 MET 69 -3.769 -1.286 -9.227 543 HE3 MET 69 HE3 MET 69 -5.265 -0.460 -9.678 544 H ASN 70 HN ASN 70 -9.300 -1.583 -3.721 545 HA ASN 70 HA ASN 70 -8.333 -3.519 -1.841 546 HB2 ASN 70 HB2 ASN 70 -10.647 -3.281 -0.759 547 HB3 ASN 70 HB1 ASN 70 -9.674 -1.813 -0.829 548 HD21 ASN 70 HD21 ASN 70 -10.368 -0.088 -2.072 549 HD22 ASN 70 HD22 ASN 70 -11.951 -0.014 -2.782 550 H ASN 71 HN ASN 71 -11.081 -3.681 -4.218 551 HA ASN 71 HA ASN 71 -11.424 -6.492 -3.628 552 HB2 ASN 71 HB2 ASN 71 -13.359 -6.377 -5.176 553 HB3 ASN 71 HB1 ASN 71 -13.407 -5.208 -3.873 554 HD21 ASN 71 HD21 ASN 71 -11.273 -4.196 -6.505 555 HD22 ASN 71 HD22 ASN 71 -12.414 -3.108 -7.212 556 H PHE 72 HN PHE 72 -8.984 -5.459 -5.151 557 HA PHE 72 HA PHE 72 -9.286 -7.067 -7.587 558 HB2 PHE 72 HB2 PHE 72 -8.571 -4.917 -8.283 559 HB3 PHE 72 HB1 PHE 72 -7.453 -4.721 -6.957 560 HD1 PHE 72 HD1 PHE 72 -7.990 -6.537 -10.165 561 HD2 PHE 72 HD2 PHE 72 -5.195 -5.286 -7.208 562 HE1 PHE 72 HE1 PHE 72 -6.130 -7.211 -11.631 563 HE2 PHE 72 HE2 PHE 72 -3.340 -5.959 -8.663 564 HZ PHE 72 HZ PHE 72 -3.805 -6.930 -10.878 565 H GLU 73 HN GLU 73 -8.314 -9.163 -7.512 566 HA GLU 73 HA GLU 73 -6.182 -9.489 -5.564 567 HB2 GLU 73 HB2 GLU 73 -6.470 -11.843 -5.626 568 HB3 GLU 73 HB1 GLU 73 -8.078 -11.184 -5.540 569 HG2 GLU 73 HG2 GLU 73 -6.842 -12.028 -8.150 570 HG3 GLU 73 HG1 GLU 73 -7.630 -13.144 -7.092 571 H LEU 74 HN LEU 74 -4.092 -10.548 -6.135 572 HA LEU 74 HA LEU 74 -3.376 -9.979 -8.924 573 HB2 LEU 74 HB2 LEU 74 -2.416 -8.240 -7.287 574 HB3 LEU 74 HB1 LEU 74 -1.495 -9.538 -6.539 575 HG LEU 74 HG LEU 74 -0.728 -9.779 -9.178 576 HD11 LEU 74 HD11 LEU 74 -1.046 -6.846 -8.617 577 HD12 LEU 74 HD12 LEU 74 -1.954 -7.791 -9.800 578 HD13 LEU 74 HD13 LEU 74 -0.217 -7.562 -10.001 579 HD21 LEU 74 HD21 LEU 74 0.896 -9.769 -7.288 580 HD22 LEU 74 HD22 LEU 74 0.695 -8.018 -7.136 581 HD23 LEU 74 HD23 LEU 74 1.397 -8.695 -8.594 582 H ASN 75 HN ASN 75 -2.763 -11.996 -9.962 583 HA ASN 75 HA ASN 75 -2.127 -14.232 -10.177 584 HB2 ASN 75 HB2 ASN 75 0.132 -13.222 -8.304 585 HB3 ASN 75 HB1 ASN 75 0.162 -14.786 -9.121 586 HD21 ASN 75 HD21 ASN 75 2.317 -13.993 -10.061 587 HD22 ASN 75 HD22 ASN 75 2.247 -12.893 -11.399 588 H GLY 76 HN GLY 76 -4.272 -14.398 -8.630 589 HA2 GLY 76 HA2 GLY 76 -5.458 -15.497 -7.049 590 HA3 GLY 76 HA1 GLY 76 -4.146 -16.619 -7.036 591 H LYS 77 HN LYS 77 -3.459 -13.442 -5.922 592 HA LYS 77 HA LYS 77 -3.759 -14.249 -3.151 593 HB2 LYS 77 HB2 LYS 77 -1.463 -14.439 -3.503 594 HB3 LYS 77 HB1 LYS 77 -1.385 -13.056 -4.564 595 HG2 LYS 77 HG2 LYS 77 -1.436 -11.523 -2.771 596 HG3 LYS 77 HG1 LYS 77 -1.828 -12.784 -1.589 597 HD2 LYS 77 HD2 LYS 77 0.737 -12.556 -3.151 598 HD3 LYS 77 HD1 LYS 77 0.520 -12.146 -1.452 599 HE2 LYS 77 HE2 LYS 77 0.479 -14.881 -2.733 600 HE3 LYS 77 HE1 LYS 77 1.611 -14.256 -1.542 601 HZ1 LYS 77 HZ1 LYS 77 -0.023 -15.774 -0.571 602 HZ2 LYS 77 HZ2 LYS 77 -1.272 -14.731 -1.036 603 HZ3 LYS 77 HZ3 LYS 77 -0.127 -14.225 0.096 604 H ARG 78 HN ARG 78 -4.168 -12.471 -1.552 605 HA ARG 78 HA ARG 78 -5.631 -10.257 -2.817 606 HB2 ARG 78 HB2 ARG 78 -6.839 -11.461 -0.960 607 HB3 ARG 78 HB1 ARG 78 -5.556 -11.046 0.172 608 HG2 ARG 78 HG2 ARG 78 -7.212 -9.564 0.740 609 HG3 ARG 78 HG1 ARG 78 -6.257 -8.562 -0.344 610 HD2 ARG 78 HD2 ARG 78 -8.432 -8.189 -1.078 611 HD3 ARG 78 HD1 ARG 78 -7.905 -9.472 -2.156 612 HE ARG 78 HE ARG 78 -9.387 -10.142 0.277 613 HH11 ARG 78 HH12 ARG 78 -9.227 -10.154 -3.248 614 HH12 ARG 78 HH11 ARG 78 -10.588 -11.210 -3.419 615 HH21 ARG 78 HH22 ARG 78 -11.186 -11.500 0.028 616 HH22 ARG 78 HH21 ARG 78 -11.702 -11.979 -1.557 617 H ILE 79 HN ILE 79 -5.059 -7.930 -2.353 618 HA ILE 79 HA ILE 79 -2.506 -7.595 -0.882 619 HB ILE 79 HB ILE 79 -2.301 -5.385 -2.221 620 HG12 ILE 79 HG12 ILE 79 -3.876 -6.814 -4.390 621 HG13 ILE 79 HG11 ILE 79 -4.609 -5.569 -3.380 622 HG21 ILE 79 HG21 ILE 79 -1.300 -6.608 -4.224 623 HG22 ILE 79 HG22 ILE 79 -1.740 -8.078 -3.356 624 HG23 ILE 79 HG23 ILE 79 -0.647 -6.904 -2.623 625 HD11 ILE 79 HD11 ILE 79 -3.828 -4.729 -5.567 626 HD12 ILE 79 HD12 ILE 79 -2.177 -5.157 -5.113 627 HD13 ILE 79 HD13 ILE 79 -3.049 -3.926 -4.202 628 H HIS 80 HN HIS 80 -2.577 -6.280 0.890 629 HA HIS 80 HA HIS 80 -5.052 -4.761 1.375 630 HB2 HIS 80 HB2 HIS 80 -2.621 -5.241 3.160 631 HB3 HIS 80 HB1 HIS 80 -3.976 -4.233 3.624 632 HD1 HIS 80 HD1 HIS 80 -2.820 -7.168 4.714 633 HD2 HIS 80 HD2 HIS 80 -6.496 -6.299 2.961 634 HE1 HIS 80 HE1 HIS 80 -4.384 -8.988 5.450 635 HE2 HIS 80 HE2 HIS 80 -6.616 -8.351 4.498 636 H VAL 81 HN VAL 81 -5.131 -2.501 0.807 637 HA VAL 81 HA VAL 81 -2.612 -1.254 -0.084 638 HB VAL 81 HB VAL 81 -5.412 -0.937 -1.302 639 HG11 VAL 81 HG11 VAL 81 -4.179 -0.026 -3.283 640 HG12 VAL 81 HG12 VAL 81 -2.827 0.240 -2.211 641 HG13 VAL 81 HG13 VAL 81 -4.364 1.014 -1.885 642 HG21 VAL 81 HG21 VAL 81 -3.749 -3.133 -1.732 643 HG22 VAL 81 HG22 VAL 81 -3.447 -2.090 -3.107 644 HG23 VAL 81 HG23 VAL 81 -5.082 -2.614 -2.738 645 H ASN 82 HN ASN 82 -2.061 0.672 1.237 646 HA ASN 82 HA ASN 82 -4.255 2.466 2.075 647 HB2 ASN 82 HB2 ASN 82 -3.195 0.568 3.892 648 HB3 ASN 82 HB1 ASN 82 -2.677 2.154 4.445 649 HD21 ASN 82 HD21 ASN 82 -4.265 3.675 5.026 650 HD22 ASN 82 HD22 ASN 82 -5.891 3.204 5.360 651 H TYR 83 HN TYR 83 -2.932 4.284 3.761 652 HA TYR 83 HA TYR 83 -1.251 5.450 1.658 653 HB2 TYR 83 HB2 TYR 83 -3.053 6.962 1.990 654 HB3 TYR 83 HB1 TYR 83 -3.033 6.761 3.747 655 HD1 TYR 83 HD1 TYR 83 -1.244 8.320 0.874 656 HD2 TYR 83 HD2 TYR 83 -1.844 8.357 5.091 657 HE1 TYR 83 HE1 TYR 83 -0.061 10.451 1.014 658 HE2 TYR 83 HE2 TYR 83 -0.649 10.500 5.240 659 HH TYR 83 HH TYR 83 0.225 12.334 2.395 660 H SER 84 HN SER 84 0.798 7.006 2.469 661 HA SER 84 HA SER 84 1.927 5.938 4.961 662 HB2 SER 84 HB2 SER 84 3.582 5.723 2.396 663 HB3 SER 84 HB1 SER 84 4.042 5.226 4.019 664 HG SER 84 HG SER 84 3.145 3.596 2.401 665 H LYS 85 HN LYS 85 4.375 6.925 5.104 666 HA LYS 85 HA LYS 85 4.087 9.847 4.783 667 HB2 LYS 85 HB2 LYS 85 4.908 8.336 7.013 668 HB3 LYS 85 HB1 LYS 85 6.431 8.959 6.389 669 HG2 LYS 85 HG2 LYS 85 5.285 11.283 6.427 670 HG3 LYS 85 HG1 LYS 85 4.071 10.524 7.454 671 HD2 LYS 85 HD2 LYS 85 5.561 11.291 9.048 672 HD3 LYS 85 HD1 LYS 85 6.142 9.649 8.803 673 HE2 LYS 85 HE2 LYS 85 8.002 11.248 8.921 674 HE3 LYS 85 HE1 LYS 85 7.945 10.487 7.330 675 HZ1 LYS 85 HZ1 LYS 85 6.773 13.149 7.967 676 HZ2 LYS 85 HZ2 LYS 85 6.945 12.455 6.432 677 HZ3 LYS 85 HZ3 LYS 85 8.313 12.930 7.304 678 H THR 86 HN THR 86 5.980 11.163 3.861 679 HA THR 86 HA THR 86 8.123 9.445 2.738 680 HB THR 86 HB THR 86 8.297 11.399 0.960 681 HG1 THR 86 HG1 THR 86 5.635 11.627 0.750 682 HG21 THR 86 HG21 THR 86 7.862 9.141 0.190 683 HG22 THR 86 HG22 THR 86 6.750 10.246 -0.622 684 HG23 THR 86 HG23 THR 86 6.174 9.240 0.702 Start of MODEL 3 1 H1 GLY -2 HT1 GLY -2 -19.033 -6.384 0.026 2 H2 GLY -2 HT2 GLY -2 -18.938 -4.700 -0.101 3 H3 GLY -2 HT3 GLY -2 -20.170 -5.405 0.814 4 HA2 GLY -2 HA1 GLY -2 -18.494 -4.519 2.268 5 HA3 GLY -2 HA2 GLY -2 -18.532 -6.278 2.376 6 H SER -1 HN SER -1 -16.620 -3.536 1.719 7 HA SER -1 HA SER -1 -14.343 -5.226 0.961 8 HB2 SER -1 HB2 SER -1 -15.082 -2.638 -0.442 9 HB3 SER -1 HB1 SER -1 -13.656 -3.606 -0.763 10 HG SER -1 HG SER -1 -14.952 -5.233 -1.581 11 H HIS 0 HN HIS 0 -12.304 -3.526 0.827 12 HA HIS 0 HA HIS 0 -12.236 -2.208 3.420 13 HB2 HIS 0 HB2 HIS 0 -10.077 -2.764 1.371 14 HB3 HIS 0 HB1 HIS 0 -9.793 -1.780 2.794 15 HD1 HIS 0 HD1 HIS 0 -9.849 -5.254 1.645 16 HD2 HIS 0 HD2 HIS 0 -10.074 -3.261 5.289 17 HE1 HIS 0 HE1 HIS 0 -9.383 -6.997 3.394 18 HE2 HIS 0 HE2 HIS 0 -9.689 -5.803 5.594 19 H MET 1 HN MET 1 -13.551 -0.454 3.180 20 HA MET 1 HA MET 1 -12.851 1.533 1.115 21 HB2 MET 1 HB2 MET 1 -15.188 0.175 1.159 22 HB3 MET 1 HB1 MET 1 -15.589 1.431 2.327 23 HG2 MET 1 HG2 MET 1 -16.365 2.114 0.182 24 HG3 MET 1 HG1 MET 1 -15.002 3.136 0.638 25 HE1 MET 1 HE1 MET 1 -14.850 2.686 -3.320 26 HE2 MET 1 HE2 MET 1 -15.069 3.853 -2.014 27 HE3 MET 1 HE3 MET 1 -16.315 2.648 -2.341 28 H SER 2 HN SER 2 -11.744 3.174 2.192 29 HA SER 2 HA SER 2 -12.840 4.067 4.764 30 HB2 SER 2 HB2 SER 2 -10.929 2.515 5.170 31 HB3 SER 2 HB1 SER 2 -9.876 3.579 4.232 32 HG SER 2 HG SER 2 -9.595 4.200 6.320 33 H ASP 3 HN ASP 3 -12.283 6.259 5.345 34 HA ASP 3 HA ASP 3 -11.892 7.985 3.071 35 HB2 ASP 3 HB2 ASP 3 -12.307 9.811 4.882 36 HB3 ASP 3 HB1 ASP 3 -13.653 8.806 4.365 37 H ASN 4 HN ASN 4 -9.767 7.828 2.519 38 HA ASN 4 HA ASN 4 -7.866 8.810 4.546 39 HB2 ASN 4 HB2 ASN 4 -6.012 7.527 3.292 40 HB3 ASN 4 HB1 ASN 4 -7.085 6.610 4.327 41 HD21 ASN 4 HD21 ASN 4 -7.931 7.689 1.054 42 HD22 ASN 4 HD22 ASN 4 -7.962 6.099 0.374 43 H ASN 5 HN ASN 5 -6.355 10.287 4.026 44 HA ASN 5 HA ASN 5 -7.042 11.993 1.794 45 HB2 ASN 5 HB2 ASN 5 -4.890 12.374 3.919 46 HB3 ASN 5 HB1 ASN 5 -5.459 13.620 2.809 47 HD21 ASN 5 HD21 ASN 5 -7.524 14.492 3.107 48 HD22 ASN 5 HD22 ASN 5 -8.385 14.324 4.594 49 H ALA 6 HN ALA 6 -5.665 9.468 1.062 50 HA ALA 6 HA ALA 6 -2.899 9.672 0.640 51 HB1 ALA 6 HB1 ALA 6 -4.746 8.046 -1.123 52 HB2 ALA 6 HB2 ALA 6 -4.132 7.501 0.432 53 HB3 ALA 6 HB3 ALA 6 -3.020 7.820 -0.885 54 H THR 7 HN THR 7 -2.343 11.687 -0.243 55 HA THR 7 HA THR 7 -2.729 11.749 -3.171 56 HB THR 7 HB THR 7 -3.132 13.889 -2.275 57 HG1 THR 7 HG1 THR 7 -0.454 14.083 -3.246 58 HG21 THR 7 HG21 THR 7 -0.452 13.731 -0.874 59 HG22 THR 7 HG22 THR 7 -2.043 13.845 -0.120 60 HG23 THR 7 HG23 THR 7 -1.405 15.206 -1.033 61 H ASP 8 HN ASP 8 -1.000 11.136 -4.544 62 HA ASP 8 HA ASP 8 0.898 10.524 -5.430 63 HB2 ASP 8 HB2 ASP 8 2.508 12.251 -5.374 64 HB3 ASP 8 HB1 ASP 8 1.128 13.044 -4.721 65 H ILE 9 HN ILE 9 0.138 8.997 -2.790 66 HA ILE 9 HA ILE 9 2.597 7.529 -2.277 67 HB ILE 9 HB ILE 9 1.174 8.789 0.101 68 HG12 ILE 9 HG12 ILE 9 4.009 9.316 -0.910 69 HG13 ILE 9 HG11 ILE 9 2.677 10.248 -1.432 70 HG21 ILE 9 HG21 ILE 9 3.686 7.097 0.043 71 HG22 ILE 9 HG22 ILE 9 2.081 6.450 0.335 72 HG23 ILE 9 HG23 ILE 9 2.757 7.612 1.450 73 HD11 ILE 9 HD11 ILE 9 3.795 11.518 0.203 74 HD12 ILE 9 HD12 ILE 9 3.850 10.190 1.343 75 HD13 ILE 9 HD13 ILE 9 2.310 10.971 0.972 76 H LEU 10 HN LEU 10 2.176 5.409 -2.498 77 HA LEU 10 HA LEU 10 -0.498 4.436 -1.689 78 HB2 LEU 10 HB2 LEU 10 0.681 4.585 -4.408 79 HB3 LEU 10 HB1 LEU 10 -0.035 3.044 -4.008 80 HG LEU 10 HG LEU 10 -1.447 4.858 -5.308 81 HD11 LEU 10 HD11 LEU 10 -2.406 3.101 -3.147 82 HD12 LEU 10 HD12 LEU 10 -2.237 2.762 -4.885 83 HD13 LEU 10 HD13 LEU 10 -3.453 3.907 -4.310 84 HD21 LEU 10 HD21 LEU 10 -2.540 5.648 -2.619 85 HD22 LEU 10 HD22 LEU 10 -2.767 6.396 -4.174 86 HD23 LEU 10 HD23 LEU 10 -1.264 6.631 -3.334 87 H PHE 11 HN PHE 11 0.530 3.053 0.179 88 HA PHE 11 HA PHE 11 2.438 1.081 -0.295 89 HB2 PHE 11 HB2 PHE 11 2.274 1.583 1.959 90 HB3 PHE 11 HB1 PHE 11 0.573 1.904 1.868 91 HD1 PHE 11 HD2 PHE 11 -0.942 -0.393 1.794 92 HD2 PHE 11 HD1 PHE 11 2.999 -0.044 3.404 93 HE1 PHE 11 HE2 PHE 11 -1.409 -2.235 3.292 94 HE2 PHE 11 HE1 PHE 11 2.483 -1.900 4.921 95 HZ PHE 11 HZ PHE 11 0.313 -3.012 4.851 96 H VAL 12 HN VAL 12 2.219 -0.640 -1.819 97 HA VAL 12 HA VAL 12 -0.055 -2.474 -1.344 98 HB VAL 12 HB VAL 12 1.602 -3.426 -3.529 99 HG11 VAL 12 HG11 VAL 12 -0.712 -4.113 -3.228 100 HG12 VAL 12 HG12 VAL 12 -0.371 -3.521 -4.846 101 HG13 VAL 12 HG13 VAL 12 -1.236 -2.500 -3.709 102 HG21 VAL 12 HG21 VAL 12 2.213 -1.223 -4.190 103 HG22 VAL 12 HG22 VAL 12 0.549 -0.645 -4.075 104 HG23 VAL 12 HG23 VAL 12 0.997 -1.814 -5.304 105 H GLY 13 HN GLY 13 0.707 -3.940 0.408 106 HA2 GLY 13 HA2 GLY 13 3.277 -5.339 -0.075 107 HA3 GLY 13 HA1 GLY 13 2.517 -5.140 1.508 108 H GLY 14 HN GLY 14 3.088 -7.661 0.904 109 HA2 GLY 14 HA2 GLY 14 2.156 -9.737 0.693 110 HA3 GLY 14 HA1 GLY 14 0.603 -8.986 0.753 111 H ILE 15 HN ILE 15 3.332 -9.123 -1.593 112 HA ILE 15 HA ILE 15 1.276 -9.764 -3.567 113 HB ILE 15 HB ILE 15 3.673 -9.079 -5.016 114 HG12 ILE 15 HG12 ILE 15 2.740 -6.531 -4.031 115 HG13 ILE 15 HG11 ILE 15 3.437 -7.431 -2.713 116 HG21 ILE 15 HG21 ILE 15 2.129 -7.648 -6.176 117 HG22 ILE 15 HG22 ILE 15 1.035 -7.630 -4.799 118 HG23 ILE 15 HG23 ILE 15 1.261 -9.116 -5.730 119 HD11 ILE 15 HD11 ILE 15 5.106 -6.024 -3.704 120 HD12 ILE 15 HD12 ILE 15 4.760 -6.674 -5.288 121 HD13 ILE 15 HD13 ILE 15 5.499 -7.690 -4.084 122 H ASP 16 HN ASP 16 1.957 -11.301 -5.422 123 HA ASP 16 HA ASP 16 2.769 -13.717 -4.097 124 HB2 ASP 16 HB2 ASP 16 1.240 -14.486 -5.505 125 HB3 ASP 16 HB1 ASP 16 1.174 -12.975 -6.382 126 H GLU 17 HN GLU 17 4.430 -15.265 -5.072 127 HA GLU 17 HA GLU 17 6.791 -13.652 -4.912 128 HB2 GLU 17 HB2 GLU 17 8.065 -15.795 -4.539 129 HB3 GLU 17 HB1 GLU 17 6.702 -15.610 -3.438 130 HG2 GLU 17 HG2 GLU 17 5.409 -17.144 -4.993 131 HG3 GLU 17 HG1 GLU 17 6.947 -17.436 -5.803 132 H THR 18 HN THR 18 5.328 -14.361 -7.876 133 HA THR 18 HA THR 18 8.050 -14.585 -9.043 134 HB THR 18 HB THR 18 6.613 -16.508 -9.837 135 HG1 THR 18 HG1 THR 18 7.414 -16.328 -11.939 136 HG21 THR 18 HG21 THR 18 4.427 -15.541 -10.322 137 HG22 THR 18 HG22 THR 18 5.154 -16.097 -11.820 138 HG23 THR 18 HG23 THR 18 5.152 -14.385 -11.439 139 H ILE 19 HN ILE 19 6.536 -12.118 -8.126 140 HA ILE 19 HA ILE 19 6.770 -10.569 -10.582 141 HB ILE 19 HB ILE 19 5.571 -8.686 -9.682 142 HG12 ILE 19 HG12 ILE 19 5.983 -7.984 -7.488 143 HG13 ILE 19 HG11 ILE 19 4.511 -8.890 -7.153 144 HG21 ILE 19 HG21 ILE 19 4.151 -11.189 -8.827 145 HG22 ILE 19 HG22 ILE 19 3.936 -10.252 -10.301 146 HG23 ILE 19 HG23 ILE 19 3.418 -9.599 -8.757 147 HD11 ILE 19 HD11 ILE 19 5.740 -10.693 -6.240 148 HD12 ILE 19 HD12 ILE 19 6.382 -9.204 -5.552 149 HD13 ILE 19 HD13 ILE 19 7.265 -10.030 -6.822 150 H ASP 20 HN ASP 20 8.007 -8.623 -10.533 151 HA ASP 20 HA ASP 20 10.143 -8.356 -8.579 152 HB2 ASP 20 HB2 ASP 20 11.013 -9.993 -10.315 153 HB3 ASP 20 HB1 ASP 20 10.848 -8.766 -11.542 154 H GLU 21 HN GLU 21 11.681 -6.434 -9.829 155 HA GLU 21 HA GLU 21 10.374 -4.082 -9.327 156 HB2 GLU 21 HB2 GLU 21 13.042 -4.661 -10.419 157 HB3 GLU 21 HB1 GLU 21 12.357 -3.282 -11.222 158 HG2 GLU 21 HG2 GLU 21 11.984 -2.432 -8.761 159 HG3 GLU 21 HG1 GLU 21 13.348 -3.512 -8.445 160 H LYS 22 HN LYS 22 10.660 -5.449 -12.658 161 HA LYS 22 HA LYS 22 9.594 -3.031 -13.765 162 HB2 LYS 22 HB2 LYS 22 9.750 -3.975 -15.973 163 HB3 LYS 22 HB1 LYS 22 11.241 -4.206 -15.094 164 HG2 LYS 22 HG2 LYS 22 9.166 -6.371 -15.656 165 HG3 LYS 22 HG1 LYS 22 10.628 -6.086 -16.580 166 HD2 LYS 22 HD2 LYS 22 10.522 -6.995 -13.688 167 HD3 LYS 22 HD1 LYS 22 10.930 -7.961 -15.091 168 HE2 LYS 22 HE2 LYS 22 12.522 -5.556 -14.189 169 HE3 LYS 22 HE1 LYS 22 12.934 -7.225 -13.829 170 HZ1 LYS 22 HZ1 LYS 22 13.149 -7.647 -16.192 171 HZ2 LYS 22 HZ2 LYS 22 14.186 -6.401 -15.706 172 HZ3 LYS 22 HZ3 LYS 22 12.761 -6.038 -16.544 173 H SER 23 HN SER 23 8.183 -6.121 -13.007 174 HA SER 23 HA SER 23 5.762 -5.939 -14.357 175 HB2 SER 23 HB2 SER 23 5.209 -7.563 -12.170 176 HB3 SER 23 HB1 SER 23 5.945 -8.084 -13.683 177 HG SER 23 HG SER 23 7.381 -7.102 -11.436 178 H LEU 24 HN LEU 24 6.544 -4.570 -11.092 179 HA LEU 24 HA LEU 24 3.733 -3.863 -10.774 180 HB2 LEU 24 HB2 LEU 24 6.024 -3.392 -8.905 181 HB3 LEU 24 HB1 LEU 24 4.410 -2.828 -8.606 182 HG LEU 24 HG LEU 24 5.143 -5.713 -9.054 183 HD11 LEU 24 HD11 LEU 24 6.125 -4.271 -6.992 184 HD12 LEU 24 HD12 LEU 24 5.754 -5.981 -6.923 185 HD13 LEU 24 HD13 LEU 24 4.590 -4.808 -6.318 186 HD21 LEU 24 HD21 LEU 24 2.733 -5.336 -9.298 187 HD22 LEU 24 HD22 LEU 24 2.686 -4.499 -7.754 188 HD23 LEU 24 HD23 LEU 24 3.059 -6.203 -7.810 189 H TYR 25 HN TYR 25 6.500 -2.341 -12.135 190 HA TYR 25 HA TYR 25 5.477 0.319 -12.303 191 HB2 TYR 25 HB2 TYR 25 7.898 -0.354 -12.996 192 HB3 TYR 25 HB1 TYR 25 7.239 -0.995 -14.485 193 HD1 TYR 25 HD1 TYR 25 5.723 1.029 -15.748 194 HD2 TYR 25 HD2 TYR 25 9.155 1.529 -13.231 195 HE1 TYR 25 HE1 TYR 25 6.236 3.115 -16.882 196 HE2 TYR 25 HE2 TYR 25 9.640 3.657 -14.373 197 HH TYR 25 HH TYR 25 9.173 4.811 -16.422 198 H ASP 26 HN ASP 26 5.322 -2.288 -14.897 199 HA ASP 26 HA ASP 26 3.548 -0.851 -16.496 200 HB2 ASP 26 HB2 ASP 26 4.877 -3.463 -16.772 201 HB3 ASP 26 HB1 ASP 26 3.376 -3.252 -17.666 202 H ILE 27 HN ILE 27 2.537 -3.558 -14.272 203 HA ILE 27 HA ILE 27 -0.066 -3.561 -15.393 204 HB ILE 27 HB ILE 27 0.576 -4.631 -12.563 205 HG12 ILE 27 HG12 ILE 27 0.168 -6.647 -14.673 206 HG13 ILE 27 HG11 ILE 27 1.593 -5.702 -15.029 207 HG21 ILE 27 HG21 ILE 27 -1.422 -5.938 -12.806 208 HG22 ILE 27 HG22 ILE 27 -1.638 -5.395 -14.462 209 HG23 ILE 27 HG23 ILE 27 -1.817 -4.267 -13.135 210 HD11 ILE 27 HD11 ILE 27 2.011 -7.841 -13.851 211 HD12 ILE 27 HD12 ILE 27 1.180 -7.221 -12.429 212 HD13 ILE 27 HD13 ILE 27 2.657 -6.445 -13.009 213 H PHE 28 HN PHE 28 1.232 -1.563 -12.605 214 HA PHE 28 HA PHE 28 -1.322 -0.260 -12.380 215 HB2 PHE 28 HB2 PHE 28 1.341 0.053 -11.083 216 HB3 PHE 28 HB1 PHE 28 0.096 1.282 -10.892 217 HD1 PHE 28 HD2 PHE 28 0.456 -2.414 -10.540 218 HD2 PHE 28 HD1 PHE 28 -1.159 1.234 -9.080 219 HE1 PHE 28 HE2 PHE 28 -0.465 -3.605 -8.604 220 HE2 PHE 28 HE1 PHE 28 -2.065 0.080 -7.118 221 HZ PHE 28 HZ PHE 28 -1.733 -2.365 -6.875 222 H SER 29 HN SER 29 1.113 0.154 -14.807 223 HA SER 29 HA SER 29 0.968 3.052 -14.773 224 HB2 SER 29 HB2 SER 29 2.322 2.991 -16.911 225 HB3 SER 29 HB1 SER 29 3.186 2.471 -15.459 226 HG SER 29 HG SER 29 1.864 0.484 -16.883 227 H SER 30 HN SER 30 -1.140 0.765 -15.804 228 HA SER 30 HA SER 30 -1.853 1.682 -18.383 229 HB2 SER 30 HB2 SER 30 -4.038 0.397 -17.883 230 HB3 SER 30 HB1 SER 30 -2.534 -0.526 -17.879 231 HG SER 30 HG SER 30 -2.734 -0.867 -15.799 232 H PHE 31 HN PHE 31 -3.300 2.549 -15.125 233 HA PHE 31 HA PHE 31 -4.429 4.900 -16.419 234 HB2 PHE 31 HB2 PHE 31 -4.666 3.684 -13.726 235 HB3 PHE 31 HB1 PHE 31 -4.845 5.426 -13.828 236 HD1 PHE 31 HD1 PHE 31 -6.581 6.352 -15.392 237 HD2 PHE 31 HD2 PHE 31 -6.479 2.259 -14.222 238 HE1 PHE 31 HE1 PHE 31 -8.959 6.136 -15.967 239 HE2 PHE 31 HE2 PHE 31 -8.864 2.036 -14.805 240 HZ PHE 31 HZ PHE 31 -10.106 3.977 -15.678 241 H GLY 32 HN GLY 32 -1.756 4.214 -14.149 242 HA2 GLY 32 HA2 GLY 32 -0.885 7.039 -14.367 243 HA3 GLY 32 HA1 GLY 32 -0.895 6.143 -12.885 244 H ASP 33 HN ASP 33 1.038 6.929 -15.584 245 HA ASP 33 HA ASP 33 3.087 4.987 -15.285 246 HB2 ASP 33 HB2 ASP 33 3.620 7.833 -16.223 247 HB3 ASP 33 HB1 ASP 33 4.662 6.438 -16.421 248 H ILE 34 HN ILE 34 5.545 5.683 -14.343 249 HA ILE 34 HA ILE 34 4.741 6.042 -11.507 250 HB ILE 34 HB ILE 34 6.180 3.676 -12.768 251 HG12 ILE 34 HG12 ILE 34 3.828 3.173 -12.690 252 HG13 ILE 34 HG11 ILE 34 4.558 2.303 -11.382 253 HG21 ILE 34 HG21 ILE 34 7.533 4.156 -10.865 254 HG22 ILE 34 HG22 ILE 34 6.669 2.650 -10.685 255 HG23 ILE 34 HG23 ILE 34 6.135 4.063 -9.808 256 HD11 ILE 34 HD11 ILE 34 2.392 4.042 -11.251 257 HD12 ILE 34 HD12 ILE 34 3.676 4.824 -10.374 258 HD13 ILE 34 HD13 ILE 34 3.200 3.210 -9.934 259 H ARG 35 HN ARG 35 6.197 7.091 -9.983 260 HA ARG 35 HA ARG 35 8.486 8.557 -10.993 261 HB2 ARG 35 HB2 ARG 35 6.719 8.964 -8.752 262 HB3 ARG 35 HB1 ARG 35 8.342 8.726 -8.061 263 HG2 ARG 35 HG2 ARG 35 9.087 10.765 -8.790 264 HG3 ARG 35 HG1 ARG 35 8.101 10.802 -10.223 265 HD2 ARG 35 HD2 ARG 35 7.369 12.535 -8.757 266 HD3 ARG 35 HD1 ARG 35 6.109 11.322 -8.758 267 HE ARG 35 HE ARG 35 7.121 10.588 -6.560 268 HH11 ARG 35 HH12 ARG 35 7.300 13.924 -7.691 269 HH12 ARG 35 HH11 ARG 35 7.391 14.592 -6.099 270 HH21 ARG 35 HH21 ARG 35 7.216 11.505 -4.453 271 HH22 ARG 35 HH22 ARG 35 7.343 13.224 -4.267 272 H ASN 36 HN ASN 36 8.368 5.929 -8.436 273 HA ASN 36 HA ASN 36 11.140 5.317 -8.623 274 HB2 ASN 36 HB2 ASN 36 11.250 7.534 -7.320 275 HB3 ASN 36 HB1 ASN 36 10.312 6.733 -6.051 276 HD21 ASN 36 HD21 ASN 36 11.789 6.547 -4.364 277 HD22 ASN 36 HD22 ASN 36 13.313 5.746 -4.538 278 H ILE 37 HN ILE 37 11.530 3.264 -7.181 279 HA ILE 37 HA ILE 37 9.042 2.330 -5.904 280 HB ILE 37 HB ILE 37 9.956 1.297 -8.535 281 HG12 ILE 37 HG12 ILE 37 7.388 0.592 -7.185 282 HG13 ILE 37 HG11 ILE 37 7.679 2.208 -7.822 283 HG21 ILE 37 HG21 ILE 37 9.503 -1.000 -8.352 284 HG22 ILE 37 HG22 ILE 37 9.204 -0.898 -6.615 285 HG23 ILE 37 HG23 ILE 37 10.825 -0.609 -7.250 286 HD11 ILE 37 HD11 ILE 37 8.002 1.357 -9.972 287 HD12 ILE 37 HD12 ILE 37 6.534 0.634 -9.343 288 HD13 ILE 37 HD13 ILE 37 8.035 -0.293 -9.384 289 H GLU 38 HN GLU 38 9.426 1.251 -3.981 290 HA GLU 38 HA GLU 38 12.096 -0.006 -3.739 291 HB2 GLU 38 HB2 GLU 38 12.115 2.101 -2.345 292 HB3 GLU 38 HB1 GLU 38 10.724 1.572 -1.477 293 HG2 GLU 38 HG2 GLU 38 12.621 -0.420 -1.054 294 HG3 GLU 38 HG1 GLU 38 13.515 1.094 -0.982 295 H VAL 39 HN VAL 39 11.427 -2.082 -4.191 296 HA VAL 39 HA VAL 39 10.116 -3.320 -1.859 297 HB VAL 39 HB VAL 39 8.429 -3.650 -3.506 298 HG11 VAL 39 HG11 VAL 39 9.503 -3.140 -5.584 299 HG12 VAL 39 HG12 VAL 39 8.781 -4.736 -5.710 300 HG13 VAL 39 HG13 VAL 39 10.516 -4.578 -5.466 301 HG21 VAL 39 HG21 VAL 39 8.298 -6.077 -3.892 302 HG22 VAL 39 HG22 VAL 39 8.822 -5.724 -2.252 303 HG23 VAL 39 HG23 VAL 39 9.994 -6.235 -3.457 304 HA PRO 40 HA PRO 40 14.217 -5.517 -1.695 305 HB2 PRO 40 HB2 PRO 40 13.427 -6.729 0.685 306 HB3 PRO 40 HB1 PRO 40 14.316 -5.194 0.594 307 HG2 PRO 40 HG2 PRO 40 11.384 -5.624 0.831 308 HG3 PRO 40 HG1 PRO 40 12.443 -4.546 1.766 309 HD2 PRO 40 HD2 PRO 40 11.073 -3.468 -0.161 310 HD3 PRO 40 HD1 PRO 40 12.789 -3.125 -0.017 311 H LEU 41 HN LEU 41 14.573 -7.762 -2.120 312 HA LEU 41 HA LEU 41 12.213 -9.505 -2.133 313 HB2 LEU 41 HB2 LEU 41 13.327 -8.484 -4.637 314 HB3 LEU 41 HB1 LEU 41 13.588 -10.202 -4.589 315 HG LEU 41 HG LEU 41 11.497 -10.455 -5.444 316 HD11 LEU 41 HD11 LEU 41 10.270 -8.958 -3.116 317 HD12 LEU 41 HD12 LEU 41 10.502 -10.705 -3.213 318 HD13 LEU 41 HD13 LEU 41 9.412 -9.904 -4.320 319 HD21 LEU 41 HD21 LEU 41 10.081 -8.554 -6.043 320 HD22 LEU 41 HD22 LEU 41 11.759 -8.300 -6.513 321 HD23 LEU 41 HD23 LEU 41 11.101 -7.494 -5.083 322 H ASN 42 HN ASN 42 12.985 -11.831 -1.674 323 HA ASN 42 HA ASN 42 15.667 -11.531 -0.496 324 HB2 ASN 42 HB2 ASN 42 13.935 -12.045 1.169 325 HB3 ASN 42 HB1 ASN 42 13.353 -13.433 0.264 326 HD21 ASN 42 HD21 ASN 42 14.261 -13.079 3.022 327 HD22 ASN 42 HD22 ASN 42 15.520 -14.236 3.266 328 H MET 43 HN MET 43 17.468 -12.880 -1.270 329 HA MET 43 HA MET 43 16.916 -14.087 -3.825 330 HB2 MET 43 HB2 MET 43 19.527 -13.758 -2.294 331 HB3 MET 43 HB1 MET 43 19.469 -14.757 -3.732 332 HG2 MET 43 HG2 MET 43 18.546 -12.566 -4.907 333 HG3 MET 43 HG1 MET 43 19.229 -11.748 -3.482 334 HE1 MET 43 HE1 MET 43 21.782 -13.382 -2.756 335 HE2 MET 43 HE2 MET 43 21.795 -11.624 -2.909 336 HE3 MET 43 HE3 MET 43 23.015 -12.593 -3.738 337 H THR 44 HN THR 44 16.371 -15.667 -0.931 338 HA THR 44 HA THR 44 17.258 -18.194 -2.065 339 HB THR 44 HB THR 44 16.141 -17.710 0.758 340 HG1 THR 44 HG1 THR 44 18.140 -16.998 0.877 341 HG21 THR 44 HG21 THR 44 15.696 -20.085 -0.031 342 HG22 THR 44 HG22 THR 44 16.764 -19.939 1.359 343 HG23 THR 44 HG23 THR 44 17.441 -20.275 -0.227 344 H THR 45 HN THR 45 14.006 -16.849 -1.004 345 HA THR 45 HA THR 45 12.966 -18.602 -3.084 346 HB THR 45 HB THR 45 12.083 -19.877 -1.517 347 HG1 THR 45 HG1 THR 45 10.200 -18.419 -2.415 348 HG21 THR 45 HG21 THR 45 11.945 -17.652 0.521 349 HG22 THR 45 HG22 THR 45 12.978 -19.092 0.508 350 HG23 THR 45 HG23 THR 45 11.249 -19.241 0.759 351 H LYS 46 HN LYS 46 13.543 -15.567 -2.997 352 HA LYS 46 HA LYS 46 12.821 -13.606 -3.882 353 HB2 LYS 46 HB2 LYS 46 12.317 -15.242 -5.754 354 HB3 LYS 46 HB1 LYS 46 10.660 -15.297 -5.219 355 HG2 LYS 46 HG2 LYS 46 10.746 -13.899 -7.111 356 HG3 LYS 46 HG1 LYS 46 10.471 -12.838 -5.731 357 HD2 LYS 46 HD2 LYS 46 12.041 -11.784 -7.189 358 HD3 LYS 46 HD1 LYS 46 12.949 -12.329 -5.791 359 HE2 LYS 46 HE2 LYS 46 13.626 -14.344 -7.098 360 HE3 LYS 46 HE1 LYS 46 12.800 -13.654 -8.498 361 HZ1 LYS 46 HZ1 LYS 46 15.109 -13.137 -8.645 362 HZ2 LYS 46 HZ2 LYS 46 15.146 -12.524 -7.072 363 HZ3 LYS 46 HZ3 LYS 46 14.292 -11.699 -8.278 364 H LYS 47 HN LYS 47 12.021 -13.471 -1.297 365 HA LYS 47 HA LYS 47 9.072 -13.247 -1.220 366 HB2 LYS 47 HB2 LYS 47 10.998 -14.015 1.016 367 HB3 LYS 47 HB1 LYS 47 9.269 -13.864 1.221 368 HG2 LYS 47 HG2 LYS 47 10.787 -15.995 -0.294 369 HG3 LYS 47 HG1 LYS 47 9.688 -16.170 1.067 370 HD2 LYS 47 HD2 LYS 47 8.775 -15.225 -1.680 371 HD3 LYS 47 HD1 LYS 47 8.756 -16.912 -1.169 372 HE2 LYS 47 HE2 LYS 47 7.425 -15.970 0.890 373 HE3 LYS 47 HE1 LYS 47 7.068 -14.644 -0.222 374 HZ1 LYS 47 HZ1 LYS 47 6.260 -16.339 -1.820 375 HZ2 LYS 47 HZ2 LYS 47 5.361 -16.301 -0.391 376 HZ3 LYS 47 HZ3 LYS 47 6.489 -17.532 -0.647 377 H ASN 48 HN ASN 48 8.094 -11.443 -0.182 378 HA ASN 48 HA ASN 48 9.819 -9.097 -0.455 379 HB2 ASN 48 HB2 ASN 48 7.663 -7.809 -0.391 380 HB3 ASN 48 HB1 ASN 48 7.758 -8.952 -1.724 381 HD21 ASN 48 HD21 ASN 48 6.563 -11.012 -1.463 382 HD22 ASN 48 HD22 ASN 48 5.202 -11.083 -0.401 383 H ARG 49 HN ARG 49 8.871 -11.049 2.097 384 HA ARG 49 HA ARG 49 8.258 -10.838 4.259 385 HB2 ARG 49 HB2 ARG 49 9.858 -9.100 5.556 386 HB3 ARG 49 HB1 ARG 49 10.396 -10.680 5.055 387 HG2 ARG 49 HG2 ARG 49 11.287 -9.480 2.945 388 HG3 ARG 49 HG1 ARG 49 11.095 -7.991 3.885 389 HD2 ARG 49 HD2 ARG 49 12.643 -8.875 5.574 390 HD3 ARG 49 HD1 ARG 49 12.764 -10.391 4.701 391 HE ARG 49 HE ARG 49 13.527 -8.659 2.824 392 HH11 ARG 49 HH12 ARG 49 14.548 -8.998 6.175 393 HH12 ARG 49 HH11 ARG 49 16.143 -8.442 5.873 394 HH21 ARG 49 HH22 ARG 49 15.683 -7.991 2.435 395 HH22 ARG 49 HH21 ARG 49 16.796 -7.870 3.756 396 H GLY 50 HN GLY 50 6.159 -9.773 3.334 397 HA2 GLY 50 HA2 GLY 50 4.332 -8.779 4.233 398 HA3 GLY 50 HA1 GLY 50 5.326 -8.214 5.544 399 H PHE 51 HN PHE 51 6.472 -6.803 2.547 400 HA PHE 51 HA PHE 51 4.769 -4.535 2.902 401 HB2 PHE 51 HB2 PHE 51 5.969 -3.077 4.308 402 HB3 PHE 51 HB1 PHE 51 6.121 -4.615 5.075 403 HD1 PHE 51 HD1 PHE 51 8.438 -5.729 5.129 404 HD2 PHE 51 HD2 PHE 51 7.796 -1.718 3.756 405 HE1 PHE 51 HE1 PHE 51 10.811 -5.237 5.400 406 HE2 PHE 51 HE2 PHE 51 10.171 -1.250 4.062 407 HZ PHE 51 HZ PHE 51 11.685 -3.008 4.869 408 H ALA 52 HN ALA 52 4.801 -3.300 0.804 409 HA ALA 52 HA ALA 52 7.476 -2.601 -0.272 410 HB1 ALA 52 HB1 ALA 52 6.497 -2.858 -2.612 411 HB2 ALA 52 HB2 ALA 52 5.144 -3.719 -1.892 412 HB3 ALA 52 HB3 ALA 52 6.766 -4.365 -1.771 413 H PHE 53 HN PHE 53 7.635 -0.479 -1.054 414 HA PHE 53 HA PHE 53 5.277 1.223 -0.767 415 HB2 PHE 53 HB2 PHE 53 8.167 2.075 -0.956 416 HB3 PHE 53 HB1 PHE 53 6.789 3.115 -0.583 417 HD1 PHE 53 HD1 PHE 53 5.348 1.558 1.555 418 HD2 PHE 53 HD2 PHE 53 9.495 2.059 0.799 419 HE1 PHE 53 HE1 PHE 53 5.849 1.084 3.924 420 HE2 PHE 53 HE2 PHE 53 10.012 1.574 3.101 421 HZ PHE 53 HZ PHE 53 8.182 1.084 4.701 422 H VAL 54 HN VAL 54 4.590 2.842 -2.542 423 HA VAL 54 HA VAL 54 5.821 2.466 -5.160 424 HB VAL 54 HB VAL 54 2.845 1.746 -4.809 425 HG11 VAL 54 HG11 VAL 54 2.463 1.592 -7.159 426 HG12 VAL 54 HG12 VAL 54 4.058 2.209 -7.521 427 HG13 VAL 54 HG13 VAL 54 2.879 3.246 -6.740 428 HG21 VAL 54 HG21 VAL 54 4.923 0.183 -6.289 429 HG22 VAL 54 HG22 VAL 54 3.226 -0.197 -6.098 430 HG23 VAL 54 HG23 VAL 54 4.273 -0.202 -4.709 431 H GLU 55 HN GLU 55 6.261 4.826 -5.652 432 HA GLU 55 HA GLU 55 4.088 6.675 -5.085 433 HB2 GLU 55 HB2 GLU 55 6.950 6.798 -5.393 434 HB3 GLU 55 HB1 GLU 55 6.187 8.087 -6.308 435 HG2 GLU 55 HG2 GLU 55 7.002 8.652 -4.071 436 HG3 GLU 55 HG1 GLU 55 5.322 8.991 -4.318 437 H TYR 56 HN TYR 56 3.084 8.115 -6.718 438 HA TYR 56 HA TYR 56 2.965 6.915 -9.428 439 HB2 TYR 56 HB2 TYR 56 0.982 7.975 -7.613 440 HB3 TYR 56 HB1 TYR 56 0.909 8.838 -9.145 441 HD1 TYR 56 HD1 TYR 56 1.448 5.074 -8.651 442 HD2 TYR 56 HD2 TYR 56 -1.067 8.250 -9.985 443 HE1 TYR 56 HE1 TYR 56 -0.207 3.459 -9.436 444 HE2 TYR 56 HE2 TYR 56 -2.626 6.649 -10.810 445 HH TYR 56 HH TYR 56 -2.748 4.372 -11.548 446 H VAL 57 HN VAL 57 2.411 8.741 -11.375 447 HA VAL 57 HA VAL 57 3.976 11.150 -10.924 448 HB VAL 57 HB VAL 57 2.922 9.933 -13.470 449 HG11 VAL 57 HG11 VAL 57 2.056 12.035 -14.107 450 HG12 VAL 57 HG12 VAL 57 3.684 12.040 -14.747 451 HG13 VAL 57 HG13 VAL 57 3.328 12.921 -13.271 452 HG21 VAL 57 HG21 VAL 57 5.278 9.665 -12.831 453 HG22 VAL 57 HG22 VAL 57 5.493 11.403 -12.931 454 HG23 VAL 57 HG23 VAL 57 5.089 10.485 -14.361 455 H GLU 58 HN GLU 58 0.477 10.614 -10.630 456 HA GLU 58 HA GLU 58 0.164 13.476 -10.938 457 HB2 GLU 58 HB2 GLU 58 -1.983 13.118 -12.305 458 HB3 GLU 58 HB1 GLU 58 -0.484 12.977 -13.098 459 HG2 GLU 58 HG2 GLU 58 -0.915 10.367 -12.476 460 HG3 GLU 58 HG1 GLU 58 -2.557 10.986 -12.707 461 H VAL 59 HN VAL 59 -1.169 14.511 -9.274 462 HA VAL 59 HA VAL 59 -1.842 12.721 -7.195 463 HB VAL 59 HB VAL 59 -1.479 14.351 -5.883 464 HG11 VAL 59 HG11 VAL 59 -1.223 16.322 -8.080 465 HG12 VAL 59 HG12 VAL 59 0.046 15.337 -7.339 466 HG13 VAL 59 HG13 VAL 59 -0.767 16.575 -6.408 467 HG21 VAL 59 HG21 VAL 59 -2.752 16.252 -5.298 468 HG22 VAL 59 HG22 VAL 59 -3.868 14.951 -5.679 469 HG23 VAL 59 HG23 VAL 59 -3.580 16.254 -6.840 470 H ASP 60 HN ASP 60 -4.071 14.215 -9.554 471 HA ASP 60 HA ASP 60 -6.526 13.505 -8.316 472 HB2 ASP 60 HB2 ASP 60 -6.466 14.929 -10.347 473 HB3 ASP 60 HB1 ASP 60 -6.010 13.526 -11.319 474 H ASP 61 HN ASP 61 -4.817 11.533 -10.823 475 HA ASP 61 HA ASP 61 -6.272 9.228 -10.791 476 HB2 ASP 61 HB2 ASP 61 -4.027 9.817 -12.161 477 HB3 ASP 61 HB1 ASP 61 -3.338 8.739 -10.948 478 H ALA 62 HN ALA 62 -3.594 9.831 -8.424 479 HA ALA 62 HA ALA 62 -3.338 7.558 -7.038 480 HB1 ALA 62 HB1 ALA 62 -2.193 9.563 -6.326 481 HB2 ALA 62 HB2 ALA 62 -2.965 8.798 -4.967 482 HB3 ALA 62 HB3 ALA 62 -3.676 10.235 -5.685 483 H LYS 63 HN LYS 63 -5.931 9.881 -6.172 484 HA LYS 63 HA LYS 63 -7.264 8.276 -4.283 485 HB2 LYS 63 HB2 LYS 63 -8.331 10.560 -5.951 486 HB3 LYS 63 HB1 LYS 63 -9.400 9.583 -4.979 487 HG2 LYS 63 HG2 LYS 63 -8.964 11.416 -3.628 488 HG3 LYS 63 HG1 LYS 63 -7.927 10.172 -2.967 489 HD2 LYS 63 HD2 LYS 63 -5.970 11.210 -3.928 490 HD3 LYS 63 HD1 LYS 63 -6.962 12.354 -4.842 491 HE2 LYS 63 HE2 LYS 63 -7.846 13.202 -2.662 492 HE3 LYS 63 HE1 LYS 63 -6.675 12.175 -1.847 493 HZ1 LYS 63 HZ1 LYS 63 -4.911 13.356 -3.045 494 HZ2 LYS 63 HZ2 LYS 63 -5.810 14.378 -2.043 495 HZ3 LYS 63 HZ3 LYS 63 -6.071 14.394 -3.713 496 H HIS 64 HN HIS 64 -8.207 8.481 -7.793 497 HA HIS 64 HA HIS 64 -10.270 6.601 -7.446 498 HB2 HIS 64 HB2 HIS 64 -9.345 8.094 -9.724 499 HB3 HIS 64 HB1 HIS 64 -9.732 6.432 -10.172 500 HD1 HIS 64 HD1 HIS 64 -12.130 5.681 -8.726 501 HD2 HIS 64 HD2 HIS 64 -11.580 9.557 -10.132 502 HE1 HIS 64 HE1 HIS 64 -14.418 6.697 -8.875 503 HE2 HIS 64 HE2 HIS 64 -14.058 8.946 -9.921 504 H ALA 65 HN ALA 65 -6.864 5.928 -8.533 505 HA ALA 65 HA ALA 65 -7.417 3.209 -9.056 506 HB1 ALA 65 HB1 ALA 65 -5.425 3.861 -10.012 507 HB2 ALA 65 HB2 ALA 65 -4.951 2.743 -8.753 508 HB3 ALA 65 HB3 ALA 65 -4.742 4.473 -8.512 509 H LEU 66 HN LEU 66 -6.324 4.567 -5.817 510 HA LEU 66 HA LEU 66 -6.179 1.992 -4.749 511 HB2 LEU 66 HB2 LEU 66 -4.989 2.912 -3.150 512 HB3 LEU 66 HB1 LEU 66 -5.398 4.501 -3.659 513 HG LEU 66 HG LEU 66 -7.349 4.347 -1.914 514 HD11 LEU 66 HD11 LEU 66 -7.084 2.788 -0.142 515 HD12 LEU 66 HD12 LEU 66 -5.644 2.111 -0.878 516 HD13 LEU 66 HD13 LEU 66 -7.206 1.872 -1.638 517 HD21 LEU 66 HD21 LEU 66 -5.606 5.760 -1.224 518 HD22 LEU 66 HD22 LEU 66 -4.438 4.463 -1.216 519 HD23 LEU 66 HD23 LEU 66 -5.657 4.541 0.046 520 H TYR 67 HN TYR 67 -9.136 4.100 -4.609 521 HA TYR 67 HA TYR 67 -10.530 2.080 -3.216 522 HB2 TYR 67 HB2 TYR 67 -11.835 4.138 -5.050 523 HB3 TYR 67 HB1 TYR 67 -12.634 3.100 -3.891 524 HD1 TYR 67 HD1 TYR 67 -10.320 5.975 -4.186 525 HD2 TYR 67 HD2 TYR 67 -12.682 3.593 -1.559 526 HE1 TYR 67 HE1 TYR 67 -9.992 7.626 -2.396 527 HE2 TYR 67 HE2 TYR 67 -12.354 5.233 0.219 528 HH TYR 67 HH TYR 67 -10.925 6.971 0.875 529 H ASN 68 HN ASN 68 -9.637 2.004 -6.576 530 HA ASN 68 HA ASN 68 -11.395 -0.279 -7.062 531 HB2 ASN 68 HB2 ASN 68 -10.711 1.325 -8.966 532 HB3 ASN 68 HB1 ASN 68 -9.115 0.557 -8.933 533 HD21 ASN 68 HD21 ASN 68 -8.849 -1.417 -9.848 534 HD22 ASN 68 HD22 ASN 68 -10.080 -2.222 -10.745 535 H MET 69 HN MET 69 -8.718 -0.232 -5.111 536 HA MET 69 HA MET 69 -7.422 -2.473 -6.506 537 HB2 MET 69 HB2 MET 69 -6.241 -0.136 -5.067 538 HB3 MET 69 HB1 MET 69 -5.368 -1.647 -5.089 539 HG2 MET 69 HG2 MET 69 -6.107 0.083 -7.438 540 HG3 MET 69 HG1 MET 69 -4.513 -0.346 -6.851 541 HE1 MET 69 HE1 MET 69 -4.700 -2.061 -10.387 542 HE2 MET 69 HE2 MET 69 -3.772 -0.964 -9.366 543 HE3 MET 69 HE3 MET 69 -5.386 -0.506 -9.911 544 H ASN 70 HN ASN 70 -9.106 -1.681 -3.658 545 HA ASN 70 HA ASN 70 -8.007 -3.574 -1.852 546 HB2 ASN 70 HB2 ASN 70 -10.409 -3.593 -0.864 547 HB3 ASN 70 HB1 ASN 70 -9.534 -2.090 -0.793 548 HD21 ASN 70 HD21 ASN 70 -10.250 -0.328 -2.030 549 HD22 ASN 70 HD22 ASN 70 -11.804 -0.298 -2.804 550 H ASN 71 HN ASN 71 -10.857 -3.964 -4.014 551 HA ASN 71 HA ASN 71 -11.071 -6.747 -3.540 552 HB2 ASN 71 HB2 ASN 71 -12.867 -6.729 -5.155 553 HB3 ASN 71 HB1 ASN 71 -12.980 -5.303 -4.126 554 HD21 ASN 71 HD21 ASN 71 -12.747 -3.251 -5.050 555 HD22 ASN 71 HD22 ASN 71 -12.686 -3.017 -6.759 556 H PHE 72 HN PHE 72 -8.990 -5.141 -5.759 557 HA PHE 72 HA PHE 72 -9.132 -7.034 -7.870 558 HB2 PHE 72 HB2 PHE 72 -8.479 -4.976 -8.719 559 HB3 PHE 72 HB1 PHE 72 -7.428 -4.586 -7.360 560 HD1 PHE 72 HD2 PHE 72 -7.712 -6.447 -10.545 561 HD2 PHE 72 HD1 PHE 72 -5.127 -5.142 -7.438 562 HE1 PHE 72 HE2 PHE 72 -5.750 -7.027 -11.927 563 HE2 PHE 72 HE1 PHE 72 -3.175 -5.713 -8.799 564 HZ PHE 72 HZ PHE 72 -3.478 -6.663 -11.050 565 H GLU 73 HN GLU 73 -8.171 -9.074 -7.911 566 HA GLU 73 HA GLU 73 -6.204 -9.697 -5.926 567 HB2 GLU 73 HB2 GLU 73 -7.211 -11.722 -5.837 568 HB3 GLU 73 HB1 GLU 73 -8.445 -11.007 -6.831 569 HG2 GLU 73 HG2 GLU 73 -6.904 -11.927 -8.784 570 HG3 GLU 73 HG1 GLU 73 -6.368 -12.981 -7.483 571 H LEU 74 HN LEU 74 -3.993 -10.187 -6.378 572 HA LEU 74 HA LEU 74 -3.051 -9.620 -9.118 573 HB2 LEU 74 HB2 LEU 74 -2.271 -8.237 -7.002 574 HB3 LEU 74 HB1 LEU 74 -1.326 -9.639 -6.595 575 HG LEU 74 HG LEU 74 0.080 -7.911 -7.585 576 HD11 LEU 74 HD11 LEU 74 -0.154 -10.308 -9.347 577 HD12 LEU 74 HD12 LEU 74 0.848 -10.115 -7.909 578 HD13 LEU 74 HD13 LEU 74 1.192 -9.173 -9.360 579 HD21 LEU 74 HD21 LEU 74 0.075 -7.340 -9.981 580 HD22 LEU 74 HD22 LEU 74 -1.303 -6.664 -9.132 581 HD23 LEU 74 HD23 LEU 74 -1.503 -8.081 -10.167 582 H ASN 75 HN ASN 75 -2.717 -11.699 -10.211 583 HA ASN 75 HA ASN 75 -2.240 -13.949 -10.539 584 HB2 ASN 75 HB2 ASN 75 0.147 -13.318 -8.732 585 HB3 ASN 75 HB1 ASN 75 -0.001 -14.694 -9.809 586 HD21 ASN 75 HD21 ASN 75 2.142 -12.817 -9.879 587 HD22 ASN 75 HD22 ASN 75 2.058 -11.986 -11.400 588 H GLY 76 HN GLY 76 -4.305 -14.156 -9.010 589 HA2 GLY 76 HA2 GLY 76 -5.505 -15.342 -7.520 590 HA3 GLY 76 HA1 GLY 76 -4.190 -16.456 -7.528 591 H LYS 77 HN LYS 77 -3.844 -13.228 -6.256 592 HA LYS 77 HA LYS 77 -3.800 -14.238 -3.545 593 HB2 LYS 77 HB2 LYS 77 -1.484 -14.442 -4.137 594 HB3 LYS 77 HB1 LYS 77 -1.419 -12.857 -4.865 595 HG2 LYS 77 HG2 LYS 77 -1.446 -11.768 -2.784 596 HG3 LYS 77 HG1 LYS 77 -1.853 -13.246 -1.904 597 HD2 LYS 77 HD2 LYS 77 0.711 -12.806 -3.429 598 HD3 LYS 77 HD1 LYS 77 0.530 -12.562 -1.694 599 HE2 LYS 77 HE2 LYS 77 0.293 -15.182 -3.199 600 HE3 LYS 77 HE1 LYS 77 1.579 -14.702 -2.097 601 HZ1 LYS 77 HZ1 LYS 77 0.034 -16.181 -1.010 602 HZ2 LYS 77 HZ2 LYS 77 -1.256 -15.145 -1.349 603 HZ3 LYS 77 HZ3 LYS 77 -0.035 -14.649 -0.294 604 H ARG 78 HN ARG 78 -3.993 -12.474 -1.876 605 HA ARG 78 HA ARG 78 -5.528 -10.236 -3.001 606 HB2 ARG 78 HB2 ARG 78 -6.657 -11.533 -1.140 607 HB3 ARG 78 HB1 ARG 78 -5.383 -11.048 -0.028 608 HG2 ARG 78 HG2 ARG 78 -7.047 -9.606 0.530 609 HG3 ARG 78 HG1 ARG 78 -6.153 -8.618 -0.623 610 HD2 ARG 78 HD2 ARG 78 -8.362 -8.329 -1.294 611 HD3 ARG 78 HD1 ARG 78 -7.821 -9.620 -2.357 612 HE ARG 78 HE ARG 78 -9.107 -10.453 0.101 613 HH11 ARG 78 HH12 ARG 78 -9.477 -9.866 -3.353 614 HH12 ARG 78 HH11 ARG 78 -10.918 -10.816 -3.476 615 HH21 ARG 78 HH22 ARG 78 -11.033 -11.639 -0.066 616 HH22 ARG 78 HH21 ARG 78 -11.804 -11.826 -1.605 617 H ILE 79 HN ILE 79 -4.731 -8.027 -2.805 618 HA ILE 79 HA ILE 79 -2.172 -7.704 -1.341 619 HB ILE 79 HB ILE 79 -2.320 -5.334 -2.496 620 HG12 ILE 79 HG12 ILE 79 -3.918 -6.874 -4.562 621 HG13 ILE 79 HG11 ILE 79 -4.608 -5.626 -3.528 622 HG21 ILE 79 HG21 ILE 79 -1.255 -6.263 -4.619 623 HG22 ILE 79 HG22 ILE 79 -1.409 -7.833 -3.848 624 HG23 ILE 79 HG23 ILE 79 -0.463 -6.550 -3.084 625 HD11 ILE 79 HD11 ILE 79 -4.067 -4.795 -5.766 626 HD12 ILE 79 HD12 ILE 79 -2.382 -5.215 -5.517 627 HD13 ILE 79 HD13 ILE 79 -3.144 -3.970 -4.526 628 H HIS 80 HN HIS 80 -2.068 -6.398 0.483 629 HA HIS 80 HA HIS 80 -4.591 -5.053 1.288 630 HB2 HIS 80 HB2 HIS 80 -3.126 -6.415 3.010 631 HB3 HIS 80 HB1 HIS 80 -2.038 -5.030 3.040 632 HD1 HIS 80 HD1 HIS 80 -2.400 -3.781 5.070 633 HD2 HIS 80 HD2 HIS 80 -6.039 -5.104 3.505 634 HE1 HIS 80 HE1 HIS 80 -4.162 -2.935 6.641 635 HE2 HIS 80 HE2 HIS 80 -6.303 -3.955 5.814 636 H VAL 81 HN VAL 81 -4.899 -2.770 0.918 637 HA VAL 81 HA VAL 81 -2.505 -1.334 -0.054 638 HB VAL 81 HB VAL 81 -5.316 -0.978 -1.258 639 HG11 VAL 81 HG11 VAL 81 -4.257 0.028 -3.205 640 HG12 VAL 81 HG12 VAL 81 -2.722 0.055 -2.387 641 HG13 VAL 81 HG13 VAL 81 -4.074 0.984 -1.753 642 HG21 VAL 81 HG21 VAL 81 -3.118 -2.728 -2.337 643 HG22 VAL 81 HG22 VAL 81 -4.383 -2.085 -3.330 644 HG23 VAL 81 HG23 VAL 81 -4.781 -3.150 -2.009 645 H ASN 82 HN ASN 82 -2.044 0.679 1.117 646 HA ASN 82 HA ASN 82 -4.264 2.330 2.088 647 HB2 ASN 82 HB2 ASN 82 -3.919 0.536 3.959 648 HB3 ASN 82 HB1 ASN 82 -2.422 1.381 4.347 649 HD21 ASN 82 HD21 ASN 82 -2.548 3.349 5.403 650 HD22 ASN 82 HD22 ASN 82 -4.033 3.996 6.006 651 H TYR 83 HN TYR 83 -3.134 4.302 3.555 652 HA TYR 83 HA TYR 83 -1.308 5.428 1.611 653 HB2 TYR 83 HB2 TYR 83 -3.070 6.965 2.014 654 HB3 TYR 83 HB1 TYR 83 -3.072 6.658 3.751 655 HD1 TYR 83 HD2 TYR 83 -1.120 8.329 1.011 656 HD2 TYR 83 HD1 TYR 83 -1.951 8.175 5.192 657 HE1 TYR 83 HE2 TYR 83 0.163 10.377 1.343 658 HE2 TYR 83 HE1 TYR 83 -0.665 10.244 5.511 659 HH TYR 83 HH TYR 83 0.498 12.140 2.843 660 H SER 84 HN SER 84 0.782 6.859 2.481 661 HA SER 84 HA SER 84 1.896 5.535 4.867 662 HB2 SER 84 HB2 SER 84 3.514 5.594 2.266 663 HB3 SER 84 HB1 SER 84 4.000 4.912 3.818 664 HG SER 84 HG SER 84 3.056 3.487 2.059 665 H LYS 85 HN LYS 85 4.357 6.379 5.077 666 HA LYS 85 HA LYS 85 4.099 9.327 5.071 667 HB2 LYS 85 HB2 LYS 85 4.316 8.088 7.450 668 HB3 LYS 85 HB1 LYS 85 6.035 7.997 7.035 669 HG2 LYS 85 HG2 LYS 85 6.272 9.978 7.938 670 HG3 LYS 85 HG1 LYS 85 5.342 10.662 6.610 671 HD2 LYS 85 HD2 LYS 85 3.261 9.978 8.068 672 HD3 LYS 85 HD1 LYS 85 4.435 9.878 9.375 673 HE2 LYS 85 HE2 LYS 85 3.772 12.318 7.717 674 HE3 LYS 85 HE1 LYS 85 3.400 12.042 9.409 675 HZ1 LYS 85 HZ1 LYS 85 5.304 13.498 9.133 676 HZ2 LYS 85 HZ2 LYS 85 6.140 12.291 8.294 677 HZ3 LYS 85 HZ3 LYS 85 5.747 12.071 9.926 678 H THR 86 HN THR 86 5.892 10.624 4.221 679 HA THR 86 HA THR 86 8.434 10.028 3.699 680 HB THR 86 HB THR 86 7.847 7.993 2.386 681 HG1 THR 86 HG1 THR 86 8.870 9.244 0.294 682 HG21 THR 86 HG21 THR 86 7.021 8.272 0.027 683 HG22 THR 86 HG22 THR 86 6.500 9.903 0.441 684 HG23 THR 86 HG23 THR 86 5.777 8.507 1.244 Start of MODEL 4 1 H1 GLY -2 HT1 GLY -2 -12.158 -4.674 5.306 2 H2 GLY -2 HT2 GLY -2 -12.577 -3.590 4.077 3 H3 GLY -2 HT3 GLY -2 -13.031 -3.278 5.677 4 HA2 GLY -2 HA1 GLY -2 -10.237 -3.373 4.675 5 HA3 GLY -2 HA2 GLY -2 -11.136 -1.901 5.016 6 H SER -1 HN SER -1 -8.646 -3.359 6.234 7 HA SER -1 HA SER -1 -9.407 -2.934 9.011 8 HB2 SER -1 HB2 SER -1 -9.859 -5.370 8.353 9 HB3 SER -1 HB1 SER -1 -8.109 -5.543 8.205 10 HG SER -1 HG SER -1 -8.148 -5.888 10.273 11 H HIS 0 HN HIS 0 -7.678 -1.513 7.214 12 HA HIS 0 HA HIS 0 -5.438 -1.102 8.914 13 HB2 HIS 0 HB2 HIS 0 -4.732 -3.154 7.454 14 HB3 HIS 0 HB1 HIS 0 -4.646 -2.005 6.131 15 HD1 HIS 0 HD1 HIS 0 -2.210 -3.667 7.360 16 HD2 HIS 0 HD2 HIS 0 -3.033 0.350 8.066 17 HE1 HIS 0 HE1 HIS 0 -0.020 -2.628 8.030 18 HE2 HIS 0 HE2 HIS 0 -0.576 -0.243 8.598 19 H MET 1 HN MET 1 -6.390 0.960 8.866 20 HA MET 1 HA MET 1 -5.413 2.704 6.849 21 HB2 MET 1 HB2 MET 1 -7.515 3.562 5.956 22 HB3 MET 1 HB1 MET 1 -7.372 1.842 5.623 23 HG2 MET 1 HG2 MET 1 -8.810 1.448 7.651 24 HG3 MET 1 HG1 MET 1 -9.114 3.187 7.670 25 HE1 MET 1 HE1 MET 1 -12.496 1.893 6.234 26 HE2 MET 1 HE2 MET 1 -11.769 3.124 7.267 27 HE3 MET 1 HE3 MET 1 -11.532 1.414 7.635 28 H SER 2 HN SER 2 -5.252 4.747 7.542 29 HA SER 2 HA SER 2 -6.354 5.462 10.128 30 HB2 SER 2 HB2 SER 2 -4.056 6.169 9.486 31 HB3 SER 2 HB1 SER 2 -4.742 7.210 8.248 32 HG SER 2 HG SER 2 -5.732 8.443 9.870 33 H ASP 3 HN ASP 3 -6.388 8.159 7.880 34 HA ASP 3 HA ASP 3 -9.190 7.837 7.196 35 HB2 ASP 3 HB2 ASP 3 -9.845 9.963 8.195 36 HB3 ASP 3 HB1 ASP 3 -9.233 8.871 9.425 37 H ASN 4 HN ASN 4 -6.106 9.292 6.729 38 HA ASN 4 HA ASN 4 -6.904 11.331 4.913 39 HB2 ASN 4 HB2 ASN 4 -4.352 11.306 4.320 40 HB3 ASN 4 HB1 ASN 4 -4.880 11.902 5.881 41 HD21 ASN 4 HD21 ASN 4 -4.630 8.461 5.010 42 HD22 ASN 4 HD22 ASN 4 -3.328 8.131 6.106 43 H ASN 5 HN ASN 5 -6.702 11.505 2.707 44 HA ASN 5 HA ASN 5 -7.583 9.075 1.411 45 HB2 ASN 5 HB2 ASN 5 -7.545 11.984 0.621 46 HB3 ASN 5 HB1 ASN 5 -7.979 10.741 -0.542 47 HD21 ASN 5 HD21 ASN 5 -8.926 12.369 2.402 48 HD22 ASN 5 HD22 ASN 5 -10.557 11.815 2.405 49 H ALA 6 HN ALA 6 -4.448 9.911 1.725 50 HA ALA 6 HA ALA 6 -2.493 9.593 0.665 51 HB1 ALA 6 HB1 ALA 6 -3.613 7.373 0.070 52 HB2 ALA 6 HB2 ALA 6 -2.214 7.866 -0.877 53 HB3 ALA 6 HB3 ALA 6 -3.834 8.064 -1.539 54 H THR 7 HN THR 7 -1.891 11.704 0.011 55 HA THR 7 HA THR 7 -2.253 12.034 -2.888 56 HB THR 7 HB THR 7 -2.386 14.133 -1.767 57 HG1 THR 7 HG1 THR 7 0.215 14.141 -2.926 58 HG21 THR 7 HG21 THR 7 0.326 13.548 -0.578 59 HG22 THR 7 HG22 THR 7 -1.188 13.818 0.293 60 HG23 THR 7 HG23 THR 7 -0.428 15.135 -0.594 61 H ASP 8 HN ASP 8 -0.720 11.311 -4.368 62 HA ASP 8 HA ASP 8 1.061 10.518 -5.417 63 HB2 ASP 8 HB2 ASP 8 2.789 12.158 -5.473 64 HB3 ASP 8 HB1 ASP 8 1.427 13.006 -4.832 65 H ILE 9 HN ILE 9 0.536 9.067 -2.657 66 HA ILE 9 HA ILE 9 2.987 7.508 -2.486 67 HB ILE 9 HB ILE 9 1.892 8.829 0.020 68 HG12 ILE 9 HG12 ILE 9 4.592 9.281 -1.277 69 HG13 ILE 9 HG11 ILE 9 3.203 10.205 -1.671 70 HG21 ILE 9 HG21 ILE 9 3.574 7.780 1.302 71 HG22 ILE 9 HG22 ILE 9 4.386 7.124 -0.114 72 HG23 ILE 9 HG23 ILE 9 2.803 6.514 0.374 73 HD11 ILE 9 HD11 ILE 9 4.590 10.213 0.948 74 HD12 ILE 9 HD12 ILE 9 3.081 11.065 0.606 75 HD13 ILE 9 HD13 ILE 9 4.556 11.476 -0.269 76 H LEU 10 HN LEU 10 2.481 5.394 -2.696 77 HA LEU 10 HA LEU 10 -0.153 4.476 -1.701 78 HB2 LEU 10 HB2 LEU 10 0.898 4.679 -4.437 79 HB3 LEU 10 HB1 LEU 10 0.247 3.103 -4.085 80 HG LEU 10 HG LEU 10 -1.300 4.778 -5.284 81 HD11 LEU 10 HD11 LEU 10 -2.170 3.297 -2.875 82 HD12 LEU 10 HD12 LEU 10 -2.042 2.749 -4.551 83 HD13 LEU 10 HD13 LEU 10 -3.218 3.973 -4.106 84 HD21 LEU 10 HD21 LEU 10 -2.025 5.900 -2.546 85 HD22 LEU 10 HD22 LEU 10 -2.530 6.447 -4.117 86 HD23 LEU 10 HD23 LEU 10 -0.896 6.768 -3.580 87 H PHE 11 HN PHE 11 0.842 2.983 0.100 88 HA PHE 11 HA PHE 11 2.726 1.034 -0.616 89 HB2 PHE 11 HB2 PHE 11 2.989 1.086 1.613 90 HB3 PHE 11 HB1 PHE 11 1.660 2.172 1.714 91 HD1 PHE 11 HD1 PHE 11 -0.724 0.459 1.732 92 HD2 PHE 11 HD2 PHE 11 3.113 -0.202 3.375 93 HE1 PHE 11 HE1 PHE 11 -1.732 -0.941 3.461 94 HE2 PHE 11 HE2 PHE 11 2.126 -1.665 5.087 95 HZ PHE 11 HZ PHE 11 -0.305 -2.038 5.131 96 H VAL 12 HN VAL 12 2.354 -0.674 -2.060 97 HA VAL 12 HA VAL 12 -0.029 -2.373 -1.559 98 HB VAL 12 HB VAL 12 1.571 -3.421 -3.768 99 HG11 VAL 12 HG11 VAL 12 -0.838 -3.949 -3.430 100 HG12 VAL 12 HG12 VAL 12 -0.363 -3.561 -5.073 101 HG13 VAL 12 HG13 VAL 12 -1.202 -2.359 -4.110 102 HG21 VAL 12 HG21 VAL 12 2.300 -1.266 -4.459 103 HG22 VAL 12 HG22 VAL 12 0.674 -0.583 -4.302 104 HG23 VAL 12 HG23 VAL 12 1.021 -1.771 -5.548 105 H GLY 13 HN GLY 13 0.532 -4.062 0.038 106 HA2 GLY 13 HA2 GLY 13 3.141 -5.417 -0.340 107 HA3 GLY 13 HA1 GLY 13 2.546 -4.992 1.270 108 H GLY 14 HN GLY 14 2.963 -7.648 0.930 109 HA2 GLY 14 HA2 GLY 14 1.853 -9.670 0.925 110 HA3 GLY 14 HA1 GLY 14 0.373 -8.794 0.804 111 H ILE 15 HN ILE 15 3.203 -9.053 -1.421 112 HA ILE 15 HA ILE 15 1.215 -9.643 -3.474 113 HB ILE 15 HB ILE 15 3.772 -8.978 -4.686 114 HG12 ILE 15 HG12 ILE 15 2.428 -6.529 -3.735 115 HG13 ILE 15 HG11 ILE 15 3.347 -7.355 -2.493 116 HG21 ILE 15 HG21 ILE 15 1.029 -7.733 -4.849 117 HG22 ILE 15 HG22 ILE 15 1.492 -9.195 -5.718 118 HG23 ILE 15 HG23 ILE 15 2.281 -7.666 -6.087 119 HD11 ILE 15 HD11 ILE 15 5.368 -6.894 -3.498 120 HD12 ILE 15 HD12 ILE 15 4.438 -5.481 -3.976 121 HD13 ILE 15 HD13 ILE 15 4.677 -6.805 -5.095 122 H ASP 16 HN ASP 16 2.191 -10.994 -5.437 123 HA ASP 16 HA ASP 16 2.681 -13.583 -4.266 124 HB2 ASP 16 HB2 ASP 16 1.082 -13.783 -5.839 125 HB3 ASP 16 HB1 ASP 16 1.701 -12.513 -6.875 126 H GLU 17 HN GLU 17 4.394 -15.129 -5.007 127 HA GLU 17 HA GLU 17 6.873 -13.687 -4.695 128 HB2 GLU 17 HB2 GLU 17 8.000 -15.925 -4.430 129 HB3 GLU 17 HB1 GLU 17 6.616 -15.763 -3.361 130 HG2 GLU 17 HG2 GLU 17 5.331 -17.142 -5.066 131 HG3 GLU 17 HG1 GLU 17 6.889 -17.430 -5.841 132 H THR 18 HN THR 18 5.453 -14.287 -7.713 133 HA THR 18 HA THR 18 8.189 -14.306 -8.765 134 HB THR 18 HB THR 18 6.974 -16.222 -9.797 135 HG1 THR 18 HG1 THR 18 7.990 -14.141 -11.399 136 HG21 THR 18 HG21 THR 18 5.239 -14.125 -11.143 137 HG22 THR 18 HG22 THR 18 4.699 -15.513 -10.180 138 HG23 THR 18 HG23 THR 18 5.459 -15.765 -11.738 139 H ILE 19 HN ILE 19 6.616 -11.854 -7.766 140 HA ILE 19 HA ILE 19 6.690 -10.325 -10.258 141 HB ILE 19 HB ILE 19 5.440 -8.512 -9.385 142 HG12 ILE 19 HG12 ILE 19 6.313 -7.787 -7.320 143 HG13 ILE 19 HG11 ILE 19 4.697 -8.337 -6.889 144 HG21 ILE 19 HG21 ILE 19 3.892 -10.328 -9.728 145 HG22 ILE 19 HG22 ILE 19 3.371 -9.350 -8.360 146 HG23 ILE 19 HG23 ILE 19 4.139 -10.911 -8.084 147 HD11 ILE 19 HD11 ILE 19 5.535 -10.252 -5.814 148 HD12 ILE 19 HD12 ILE 19 6.548 -8.912 -5.293 149 HD13 ILE 19 HD13 ILE 19 7.140 -10.046 -6.502 150 H ASP 20 HN ASP 20 8.051 -8.592 -10.594 151 HA ASP 20 HA ASP 20 10.100 -8.000 -8.582 152 HB2 ASP 20 HB2 ASP 20 10.940 -9.621 -10.385 153 HB3 ASP 20 HB1 ASP 20 10.803 -8.317 -11.540 154 H GLU 21 HN GLU 21 11.487 -5.944 -9.857 155 HA GLU 21 HA GLU 21 9.938 -3.701 -9.506 156 HB2 GLU 21 HB2 GLU 21 12.654 -4.089 -10.442 157 HB3 GLU 21 HB1 GLU 21 11.893 -2.876 -11.429 158 HG2 GLU 21 HG2 GLU 21 11.264 -1.969 -8.981 159 HG3 GLU 21 HG1 GLU 21 12.833 -2.725 -8.693 160 H LYS 22 HN LYS 22 10.385 -5.180 -12.747 161 HA LYS 22 HA LYS 22 9.157 -3.021 -14.071 162 HB2 LYS 22 HB2 LYS 22 9.254 -4.225 -16.138 163 HB3 LYS 22 HB1 LYS 22 10.779 -4.361 -15.294 164 HG2 LYS 22 HG2 LYS 22 8.670 -6.551 -15.435 165 HG3 LYS 22 HG1 LYS 22 10.043 -6.408 -16.517 166 HD2 LYS 22 HD2 LYS 22 10.292 -6.815 -13.517 167 HD3 LYS 22 HD1 LYS 22 10.394 -8.086 -14.722 168 HE2 LYS 22 HE2 LYS 22 12.297 -6.940 -15.768 169 HE3 LYS 22 HE1 LYS 22 12.224 -5.706 -14.515 170 HZ1 LYS 22 HZ1 LYS 22 12.662 -7.444 -12.850 171 HZ2 LYS 22 HZ2 LYS 22 13.918 -7.321 -13.981 172 HZ3 LYS 22 HZ3 LYS 22 12.805 -8.599 -14.090 173 H SER 23 HN SER 23 7.864 -6.074 -12.959 174 HA SER 23 HA SER 23 5.374 -6.009 -14.218 175 HB2 SER 23 HB2 SER 23 4.987 -7.549 -11.876 176 HB3 SER 23 HB1 SER 23 5.568 -8.120 -13.444 177 HG SER 23 HG SER 23 7.196 -7.062 -11.374 178 H LEU 24 HN LEU 24 6.209 -4.622 -10.946 179 HA LEU 24 HA LEU 24 3.447 -3.786 -10.604 180 HB2 LEU 24 HB2 LEU 24 5.801 -3.035 -8.885 181 HB3 LEU 24 HB1 LEU 24 4.175 -2.495 -8.628 182 HG LEU 24 HG LEU 24 4.931 -5.413 -8.678 183 HD11 LEU 24 HD11 LEU 24 6.252 -4.390 -6.938 184 HD12 LEU 24 HD12 LEU 24 4.924 -5.265 -6.219 185 HD13 LEU 24 HD13 LEU 24 4.845 -3.524 -6.336 186 HD21 LEU 24 HD21 LEU 24 2.524 -5.060 -8.876 187 HD22 LEU 24 HD22 LEU 24 2.548 -3.969 -7.494 188 HD23 LEU 24 HD23 LEU 24 2.908 -5.673 -7.273 189 H TYR 25 HN TYR 25 6.142 -2.292 -12.189 190 HA TYR 25 HA TYR 25 5.079 0.321 -12.423 191 HB2 TYR 25 HB2 TYR 25 7.446 -0.559 -13.218 192 HB3 TYR 25 HB1 TYR 25 6.634 -1.018 -14.692 193 HD1 TYR 25 HD2 TYR 25 5.200 1.323 -15.637 194 HD2 TYR 25 HD1 TYR 25 8.912 1.137 -13.466 195 HE1 TYR 25 HE2 TYR 25 5.883 3.439 -16.628 196 HE2 TYR 25 HE1 TYR 25 9.596 3.239 -14.532 197 HH TYR 25 HH TYR 25 7.409 5.215 -16.365 198 H ASP 26 HN ASP 26 4.885 -2.387 -14.895 199 HA ASP 26 HA ASP 26 3.025 -1.031 -16.489 200 HB2 ASP 26 HB2 ASP 26 4.415 -3.623 -16.710 201 HB3 ASP 26 HB1 ASP 26 2.917 -3.435 -17.611 202 H ILE 27 HN ILE 27 2.166 -3.625 -14.107 203 HA ILE 27 HA ILE 27 -0.471 -3.727 -15.152 204 HB ILE 27 HB ILE 27 0.269 -4.686 -12.312 205 HG12 ILE 27 HG12 ILE 27 -0.146 -6.764 -14.404 206 HG13 ILE 27 HG11 ILE 27 1.274 -5.806 -14.745 207 HG21 ILE 27 HG21 ILE 27 -1.979 -5.607 -14.097 208 HG22 ILE 27 HG22 ILE 27 -2.152 -4.328 -12.917 209 HG23 ILE 27 HG23 ILE 27 -1.754 -5.944 -12.379 210 HD11 ILE 27 HD11 ILE 27 1.717 -7.924 -13.563 211 HD12 ILE 27 HD12 ILE 27 0.842 -7.333 -12.152 212 HD13 ILE 27 HD13 ILE 27 2.316 -6.520 -12.698 213 H PHE 28 HN PHE 28 0.886 -1.626 -12.449 214 HA PHE 28 HA PHE 28 -1.638 -0.276 -12.205 215 HB2 PHE 28 HB2 PHE 28 1.087 0.170 -11.064 216 HB3 PHE 28 HB1 PHE 28 -0.225 1.310 -10.812 217 HD1 PHE 28 HD2 PHE 28 0.223 -2.404 -10.490 218 HD2 PHE 28 HD1 PHE 28 -1.152 1.250 -8.797 219 HE1 PHE 28 HE2 PHE 28 -0.517 -3.605 -8.470 220 HE2 PHE 28 HE1 PHE 28 -1.856 0.059 -6.774 221 HZ PHE 28 HZ PHE 28 -1.545 -2.374 -6.602 222 H SER 29 HN SER 29 0.711 -0.014 -14.728 223 HA SER 29 HA SER 29 0.729 2.883 -14.758 224 HB2 SER 29 HB2 SER 29 2.004 2.742 -16.909 225 HB3 SER 29 HB1 SER 29 2.871 2.077 -15.528 226 HG SER 29 HG SER 29 2.881 0.749 -17.471 227 H SER 30 HN SER 30 -1.548 0.702 -15.663 228 HA SER 30 HA SER 30 -2.240 1.513 -18.277 229 HB2 SER 30 HB2 SER 30 -4.486 0.366 -17.665 230 HB3 SER 30 HB1 SER 30 -3.027 -0.631 -17.648 231 HG SER 30 HG SER 30 -3.233 -0.887 -15.564 232 H PHE 31 HN PHE 31 -3.561 2.628 -15.060 233 HA PHE 31 HA PHE 31 -4.726 4.921 -16.405 234 HB2 PHE 31 HB2 PHE 31 -4.744 3.823 -13.660 235 HB3 PHE 31 HB1 PHE 31 -4.880 5.568 -13.798 236 HD1 PHE 31 HD1 PHE 31 -6.403 2.600 -15.538 237 HD2 PHE 31 HD2 PHE 31 -6.992 6.334 -13.569 238 HE1 PHE 31 HE1 PHE 31 -8.841 2.368 -15.816 239 HE2 PHE 31 HE2 PHE 31 -9.422 6.110 -13.857 240 HZ PHE 31 HZ PHE 31 -10.352 4.125 -14.978 241 H GLY 32 HN GLY 32 -1.853 4.287 -14.412 242 HA2 GLY 32 HA2 GLY 32 -0.956 7.077 -14.797 243 HA3 GLY 32 HA1 GLY 32 -0.995 6.323 -13.230 244 H ASP 33 HN ASP 33 1.052 7.005 -15.761 245 HA ASP 33 HA ASP 33 3.074 5.044 -15.423 246 HB2 ASP 33 HB2 ASP 33 3.584 7.932 -16.216 247 HB3 ASP 33 HB1 ASP 33 4.724 6.611 -16.337 248 H ILE 34 HN ILE 34 5.443 5.593 -14.387 249 HA ILE 34 HA ILE 34 4.711 5.991 -11.547 250 HB ILE 34 HB ILE 34 6.057 3.575 -12.820 251 HG12 ILE 34 HG12 ILE 34 3.710 3.098 -12.745 252 HG13 ILE 34 HG11 ILE 34 4.379 2.258 -11.387 253 HG21 ILE 34 HG21 ILE 34 7.472 4.061 -10.966 254 HG22 ILE 34 HG22 ILE 34 6.636 2.545 -10.755 255 HG23 ILE 34 HG23 ILE 34 6.122 3.956 -9.868 256 HD11 ILE 34 HD11 ILE 34 2.248 4.008 -11.362 257 HD12 ILE 34 HD12 ILE 34 3.522 4.882 -10.559 258 HD13 ILE 34 HD13 ILE 34 3.061 3.308 -9.969 259 H ARG 35 HN ARG 35 6.217 6.982 -10.037 260 HA ARG 35 HA ARG 35 8.496 8.422 -11.053 261 HB2 ARG 35 HB2 ARG 35 6.929 8.606 -8.595 262 HB3 ARG 35 HB1 ARG 35 8.648 8.491 -8.163 263 HG2 ARG 35 HG2 ARG 35 8.976 10.627 -8.606 264 HG3 ARG 35 HG1 ARG 35 8.215 10.582 -10.176 265 HD2 ARG 35 HD2 ARG 35 6.660 11.916 -9.250 266 HD3 ARG 35 HD1 ARG 35 6.053 10.518 -8.381 267 HE ARG 35 HE ARG 35 8.148 11.716 -6.943 268 HH11 ARG 35 HH12 ARG 35 4.810 12.307 -7.896 269 HH12 ARG 35 HH11 ARG 35 4.472 13.331 -6.536 270 HH21 ARG 35 HH21 ARG 35 7.721 13.195 -5.232 271 HH22 ARG 35 HH22 ARG 35 6.119 13.831 -5.027 272 H ASN 36 HN ASN 36 8.490 5.532 -8.757 273 HA ASN 36 HA ASN 36 11.256 5.005 -8.982 274 HB2 ASN 36 HB2 ASN 36 11.371 7.295 -7.753 275 HB3 ASN 36 HB1 ASN 36 10.582 6.461 -6.403 276 HD21 ASN 36 HD21 ASN 36 11.978 5.883 -4.844 277 HD22 ASN 36 HD22 ASN 36 13.598 5.356 -5.115 278 H ILE 37 HN ILE 37 11.603 2.845 -7.843 279 HA ILE 37 HA ILE 37 9.148 1.969 -6.434 280 HB ILE 37 HB ILE 37 10.658 0.070 -8.249 281 HG12 ILE 37 HG12 ILE 37 8.791 2.251 -9.122 282 HG13 ILE 37 HG11 ILE 37 10.291 1.708 -9.855 283 HG21 ILE 37 HG21 ILE 37 8.339 -0.909 -8.546 284 HG22 ILE 37 HG22 ILE 37 7.888 0.043 -7.153 285 HG23 ILE 37 HG23 ILE 37 9.145 -1.155 -7.003 286 HD11 ILE 37 HD11 ILE 37 8.388 1.158 -11.256 287 HD12 ILE 37 HD12 ILE 37 7.662 0.244 -9.946 288 HD13 ILE 37 HD13 ILE 37 9.178 -0.316 -10.677 289 H GLU 38 HN GLU 38 9.526 1.106 -4.390 290 HA GLU 38 HA GLU 38 12.160 -0.219 -4.055 291 HB2 GLU 38 HB2 GLU 38 12.149 1.926 -2.680 292 HB3 GLU 38 HB1 GLU 38 10.806 1.343 -1.768 293 HG2 GLU 38 HG2 GLU 38 13.111 -0.439 -1.681 294 HG3 GLU 38 HG1 GLU 38 13.461 1.160 -1.120 295 H VAL 39 HN VAL 39 11.772 -2.306 -4.320 296 HA VAL 39 HA VAL 39 9.898 -3.653 -2.455 297 HB VAL 39 HB VAL 39 10.514 -4.867 -5.175 298 HG11 VAL 39 HG11 VAL 39 8.594 -6.279 -4.805 299 HG12 VAL 39 HG12 VAL 39 8.186 -5.410 -3.336 300 HG13 VAL 39 HG13 VAL 39 9.667 -6.363 -3.410 301 HG21 VAL 39 HG21 VAL 39 9.319 -2.920 -5.889 302 HG22 VAL 39 HG22 VAL 39 8.076 -3.167 -4.672 303 HG23 VAL 39 HG23 VAL 39 8.247 -4.301 -5.999 304 HA PRO 40 HA PRO 40 14.229 -5.461 -1.835 305 HB2 PRO 40 HB2 PRO 40 13.491 -6.565 0.583 306 HB3 PRO 40 HB1 PRO 40 14.233 -4.967 0.410 307 HG2 PRO 40 HG2 PRO 40 11.360 -5.672 0.678 308 HG3 PRO 40 HG1 PRO 40 12.308 -4.410 1.508 309 HD2 PRO 40 HD2 PRO 40 10.790 -3.677 -0.525 310 HD3 PRO 40 HD1 PRO 40 12.440 -3.068 -0.378 311 H LEU 41 HN LEU 41 14.407 -7.431 -2.997 312 HA LEU 41 HA LEU 41 12.561 -9.592 -2.003 313 HB2 LEU 41 HB2 LEU 41 13.416 -9.204 -4.875 314 HB3 LEU 41 HB1 LEU 41 13.301 -10.819 -4.284 315 HG LEU 41 HG LEU 41 11.256 -10.632 -5.300 316 HD11 LEU 41 HD11 LEU 41 10.229 -9.252 -2.859 317 HD12 LEU 41 HD12 LEU 41 10.680 -10.949 -2.878 318 HD13 LEU 41 HD13 LEU 41 9.406 -10.373 -3.936 319 HD21 LEU 41 HD21 LEU 41 10.878 -7.750 -4.580 320 HD22 LEU 41 HD22 LEU 41 9.832 -8.750 -5.556 321 HD23 LEU 41 HD23 LEU 41 11.438 -8.348 -6.153 322 H ASN 42 HN ASN 42 14.108 -10.659 -0.460 323 HA ASN 42 HA ASN 42 16.804 -11.062 -0.897 324 HB2 ASN 42 HB2 ASN 42 15.390 -11.508 1.254 325 HB3 ASN 42 HB1 ASN 42 15.179 -13.130 0.622 326 HD21 ASN 42 HD21 ASN 42 16.474 -12.333 3.007 327 HD22 ASN 42 HD22 ASN 42 18.088 -12.926 2.901 328 H MET 43 HN MET 43 17.987 -12.310 -2.372 329 HA MET 43 HA MET 43 16.539 -13.912 -4.246 330 HB2 MET 43 HB2 MET 43 19.208 -12.748 -4.153 331 HB3 MET 43 HB1 MET 43 19.301 -14.411 -4.712 332 HG2 MET 43 HG2 MET 43 17.168 -13.012 -6.117 333 HG3 MET 43 HG1 MET 43 18.702 -12.127 -6.234 334 HE1 MET 43 HE1 MET 43 20.983 -13.975 -6.336 335 HE2 MET 43 HE2 MET 43 20.713 -12.849 -7.665 336 HE3 MET 43 HE3 MET 43 21.078 -14.539 -8.004 337 H THR 44 HN THR 44 17.402 -15.047 -1.218 338 HA THR 44 HA THR 44 18.282 -17.642 -2.100 339 HB THR 44 HB THR 44 17.658 -16.702 0.762 340 HG1 THR 44 HG1 THR 44 19.774 -16.444 -0.806 341 HG21 THR 44 HG21 THR 44 17.212 -19.119 0.748 342 HG22 THR 44 HG22 THR 44 18.720 -18.757 1.590 343 HG23 THR 44 HG23 THR 44 18.771 -19.418 -0.039 344 H THR 45 HN THR 45 15.167 -16.421 -0.718 345 HA THR 45 HA THR 45 13.966 -18.761 -1.943 346 HB THR 45 HB THR 45 14.152 -19.571 0.256 347 HG1 THR 45 HG1 THR 45 11.673 -19.000 -0.736 348 HG21 THR 45 HG21 THR 45 12.863 -17.040 1.278 349 HG22 THR 45 HG22 THR 45 14.416 -17.766 1.750 350 HG23 THR 45 HG23 THR 45 12.899 -18.540 2.188 351 H LYS 46 HN LYS 46 13.977 -15.731 -2.534 352 HA LYS 46 HA LYS 46 12.697 -13.912 -2.793 353 HB2 LYS 46 HB2 LYS 46 12.512 -15.339 -4.842 354 HB3 LYS 46 HB1 LYS 46 10.989 -15.960 -4.230 355 HG2 LYS 46 HG2 LYS 46 9.950 -14.365 -5.384 356 HG3 LYS 46 HG1 LYS 46 10.623 -13.163 -4.306 357 HD2 LYS 46 HD2 LYS 46 10.854 -12.837 -6.852 358 HD3 LYS 46 HD1 LYS 46 12.267 -12.513 -5.884 359 HE2 LYS 46 HE2 LYS 46 13.201 -14.704 -6.559 360 HE3 LYS 46 HE1 LYS 46 11.742 -15.027 -7.499 361 HZ1 LYS 46 HZ1 LYS 46 12.270 -13.160 -8.915 362 HZ2 LYS 46 HZ2 LYS 46 13.600 -14.204 -8.849 363 HZ3 LYS 46 HZ3 LYS 46 13.617 -12.762 -7.968 364 H LYS 47 HN LYS 47 11.987 -13.472 -0.658 365 HA LYS 47 HA LYS 47 9.140 -13.875 -0.134 366 HB2 LYS 47 HB2 LYS 47 9.963 -13.746 2.401 367 HB3 LYS 47 HB1 LYS 47 10.010 -15.258 1.528 368 HG2 LYS 47 HG2 LYS 47 11.999 -15.072 2.835 369 HG3 LYS 47 HG1 LYS 47 12.477 -14.896 1.158 370 HD2 LYS 47 HD2 LYS 47 13.701 -13.322 2.492 371 HD3 LYS 47 HD1 LYS 47 12.558 -12.427 1.492 372 HE2 LYS 47 HE2 LYS 47 12.663 -11.530 3.766 373 HE3 LYS 47 HE1 LYS 47 11.062 -12.185 3.425 374 HZ1 LYS 47 HZ1 LYS 47 11.763 -14.231 4.626 375 HZ2 LYS 47 HZ2 LYS 47 11.737 -12.866 5.616 376 HZ3 LYS 47 HZ3 LYS 47 13.213 -13.464 5.045 377 H ASN 48 HN ASN 48 7.984 -11.939 0.731 378 HA ASN 48 HA ASN 48 9.690 -9.522 0.462 379 HB2 ASN 48 HB2 ASN 48 7.698 -8.197 0.008 380 HB3 ASN 48 HB1 ASN 48 7.922 -9.471 -1.184 381 HD21 ASN 48 HD21 ASN 48 6.421 -11.167 -1.283 382 HD22 ASN 48 HD22 ASN 48 4.969 -11.195 -0.341 383 H ARG 49 HN ARG 49 8.051 -11.287 2.930 384 HA ARG 49 HA ARG 49 7.245 -10.835 4.985 385 HB2 ARG 49 HB2 ARG 49 8.710 -9.016 6.338 386 HB3 ARG 49 HB1 ARG 49 9.219 -10.664 6.115 387 HG2 ARG 49 HG2 ARG 49 10.545 -9.841 4.123 388 HG3 ARG 49 HG1 ARG 49 10.219 -8.200 4.716 389 HD2 ARG 49 HD2 ARG 49 11.271 -8.952 6.905 390 HD3 ARG 49 HD1 ARG 49 11.775 -10.419 6.066 391 HE ARG 49 HE ARG 49 12.596 -8.259 4.518 392 HH11 ARG 49 HH12 ARG 49 13.297 -9.579 7.697 393 HH12 ARG 49 HH11 ARG 49 14.931 -9.012 7.707 394 HH21 ARG 49 HH21 ARG 49 14.758 -7.540 4.521 395 HH22 ARG 49 HH22 ARG 49 15.762 -7.850 5.898 396 H GLY 50 HN GLY 50 5.428 -9.728 3.550 397 HA2 GLY 50 HA2 GLY 50 3.560 -8.513 3.819 398 HA3 GLY 50 HA1 GLY 50 4.174 -8.079 5.390 399 H PHE 51 HN PHE 51 6.028 -6.839 2.567 400 HA PHE 51 HA PHE 51 4.573 -4.392 2.754 401 HB2 PHE 51 HB2 PHE 51 5.734 -3.080 4.256 402 HB3 PHE 51 HB1 PHE 51 5.940 -4.651 4.953 403 HD1 PHE 51 HD2 PHE 51 8.235 -5.733 4.968 404 HD2 PHE 51 HD1 PHE 51 7.637 -1.699 3.630 405 HE1 PHE 51 HE2 PHE 51 10.616 -5.284 5.175 406 HE2 PHE 51 HE1 PHE 51 10.023 -1.285 3.867 407 HZ PHE 51 HZ PHE 51 11.525 -3.074 4.623 408 H ALA 52 HN ALA 52 4.775 -3.234 0.659 409 HA ALA 52 HA ALA 52 7.516 -2.675 -0.289 410 HB1 ALA 52 HB1 ALA 52 6.789 -3.047 -2.666 411 HB2 ALA 52 HB2 ALA 52 5.316 -3.792 -2.063 412 HB3 ALA 52 HB3 ALA 52 6.874 -4.527 -1.727 413 H PHE 53 HN PHE 53 7.759 -0.618 -1.193 414 HA PHE 53 HA PHE 53 5.492 1.177 -0.961 415 HB2 PHE 53 HB2 PHE 53 8.412 1.863 -1.180 416 HB3 PHE 53 HB1 PHE 53 7.113 3.016 -0.880 417 HD1 PHE 53 HD2 PHE 53 5.594 1.494 1.390 418 HD2 PHE 53 HD1 PHE 53 9.732 2.083 0.599 419 HE1 PHE 53 HE2 PHE 53 6.135 1.142 3.776 420 HE2 PHE 53 HE1 PHE 53 10.272 1.722 2.903 421 HZ PHE 53 HZ PHE 53 8.464 1.266 4.539 422 H VAL 54 HN VAL 54 4.807 2.731 -2.761 423 HA VAL 54 HA VAL 54 5.988 2.331 -5.384 424 HB VAL 54 HB VAL 54 3.028 1.566 -4.992 425 HG11 VAL 54 HG11 VAL 54 2.537 1.547 -7.317 426 HG12 VAL 54 HG12 VAL 54 4.146 2.094 -7.729 427 HG13 VAL 54 HG13 VAL 54 3.052 3.170 -6.879 428 HG21 VAL 54 HG21 VAL 54 5.078 0.074 -6.624 429 HG22 VAL 54 HG22 VAL 54 3.406 -0.361 -6.343 430 HG23 VAL 54 HG23 VAL 54 4.537 -0.376 -5.010 431 H GLU 55 HN GLU 55 6.462 4.680 -5.802 432 HA GLU 55 HA GLU 55 4.376 6.561 -5.179 433 HB2 GLU 55 HB2 GLU 55 7.192 6.531 -5.590 434 HB3 GLU 55 HB1 GLU 55 6.509 7.794 -6.604 435 HG2 GLU 55 HG2 GLU 55 7.409 8.501 -4.445 436 HG3 GLU 55 HG1 GLU 55 5.758 8.949 -4.676 437 H TYR 56 HN TYR 56 3.024 7.742 -6.677 438 HA TYR 56 HA TYR 56 2.929 6.810 -9.458 439 HB2 TYR 56 HB2 TYR 56 0.954 7.778 -7.571 440 HB3 TYR 56 HB1 TYR 56 0.902 8.768 -9.017 441 HD1 TYR 56 HD1 TYR 56 1.046 5.055 -8.240 442 HD2 TYR 56 HD2 TYR 56 -0.600 8.218 -10.554 443 HE1 TYR 56 HE1 TYR 56 -0.593 3.484 -9.159 444 HE2 TYR 56 HE2 TYR 56 -2.176 6.676 -11.538 445 HH TYR 56 HH TYR 56 -2.495 4.333 -11.951 446 H VAL 57 HN VAL 57 2.383 8.683 -11.328 447 HA VAL 57 HA VAL 57 4.082 11.001 -10.888 448 HB VAL 57 HB VAL 57 2.926 9.888 -13.432 449 HG11 VAL 57 HG11 VAL 57 2.019 12.004 -13.902 450 HG12 VAL 57 HG12 VAL 57 3.591 12.026 -14.676 451 HG13 VAL 57 HG13 VAL 57 3.353 12.856 -13.145 452 HG21 VAL 57 HG21 VAL 57 5.332 9.660 -12.866 453 HG22 VAL 57 HG22 VAL 57 5.479 11.403 -13.022 454 HG23 VAL 57 HG23 VAL 57 5.025 10.437 -14.401 455 H GLU 58 HN GLU 58 0.517 10.628 -11.064 456 HA GLU 58 HA GLU 58 0.455 13.532 -10.945 457 HB2 GLU 58 HB2 GLU 58 -1.705 13.512 -12.363 458 HB3 GLU 58 HB1 GLU 58 -0.210 13.369 -13.154 459 HG2 GLU 58 HG2 GLU 58 -2.157 11.125 -12.704 460 HG3 GLU 58 HG1 GLU 58 -1.905 12.021 -14.190 461 H VAL 59 HN VAL 59 -0.847 14.527 -9.268 462 HA VAL 59 HA VAL 59 -1.539 12.717 -7.246 463 HB VAL 59 HB VAL 59 -1.235 14.332 -5.893 464 HG11 VAL 59 HG11 VAL 59 0.388 15.206 -7.399 465 HG12 VAL 59 HG12 VAL 59 -0.308 16.475 -6.401 466 HG13 VAL 59 HG13 VAL 59 -0.820 16.303 -8.077 467 HG21 VAL 59 HG21 VAL 59 -3.580 15.083 -5.791 468 HG22 VAL 59 HG22 VAL 59 -3.180 16.328 -6.993 469 HG23 VAL 59 HG23 VAL 59 -2.408 16.339 -5.422 470 H ASP 60 HN ASP 60 -3.843 14.273 -9.546 471 HA ASP 60 HA ASP 60 -6.221 13.474 -8.199 472 HB2 ASP 60 HB2 ASP 60 -5.960 13.744 -11.204 473 HB3 ASP 60 HB1 ASP 60 -7.397 13.953 -10.202 474 H ASP 61 HN ASP 61 -4.525 11.718 -10.856 475 HA ASP 61 HA ASP 61 -6.271 9.574 -10.887 476 HB2 ASP 61 HB2 ASP 61 -3.499 9.775 -12.035 477 HB3 ASP 61 HB1 ASP 61 -4.578 8.392 -12.305 478 H ALA 62 HN ALA 62 -3.246 9.809 -8.957 479 HA ALA 62 HA ALA 62 -3.106 7.353 -7.790 480 HB1 ALA 62 HB1 ALA 62 -1.622 9.252 -7.132 481 HB2 ALA 62 HB2 ALA 62 -2.238 8.355 -5.763 482 HB3 ALA 62 HB3 ALA 62 -2.938 9.897 -6.165 483 H LYS 63 HN LYS 63 -4.962 9.924 -6.261 484 HA LYS 63 HA LYS 63 -6.488 8.633 -4.387 485 HB2 LYS 63 HB2 LYS 63 -6.806 11.149 -5.857 486 HB3 LYS 63 HB1 LYS 63 -8.297 10.509 -5.195 487 HG2 LYS 63 HG2 LYS 63 -7.663 10.824 -3.030 488 HG3 LYS 63 HG1 LYS 63 -5.951 10.574 -3.358 489 HD2 LYS 63 HD2 LYS 63 -5.730 12.825 -4.215 490 HD3 LYS 63 HD1 LYS 63 -7.480 13.067 -4.177 491 HE2 LYS 63 HE2 LYS 63 -7.512 13.137 -1.825 492 HE3 LYS 63 HE1 LYS 63 -5.885 12.467 -1.701 493 HZ1 LYS 63 HZ1 LYS 63 -5.945 14.872 -1.298 494 HZ2 LYS 63 HZ2 LYS 63 -6.525 15.128 -2.860 495 HZ3 LYS 63 HZ3 LYS 63 -4.984 14.477 -2.627 496 H HIS 64 HN HIS 64 -7.830 9.115 -7.721 497 HA HIS 64 HA HIS 64 -10.051 7.502 -7.149 498 HB2 HIS 64 HB2 HIS 64 -9.174 8.858 -9.519 499 HB3 HIS 64 HB1 HIS 64 -9.904 7.307 -9.896 500 HD1 HIS 64 HD1 HIS 64 -12.120 7.217 -7.762 501 HD2 HIS 64 HD2 HIS 64 -11.137 10.574 -9.984 502 HE1 HIS 64 HE1 HIS 64 -14.153 8.698 -7.712 503 HE2 HIS 64 HE2 HIS 64 -13.463 10.795 -8.901 504 H ALA 65 HN ALA 65 -6.906 6.423 -8.574 505 HA ALA 65 HA ALA 65 -7.757 3.814 -9.112 506 HB1 ALA 65 HB1 ALA 65 -5.662 4.554 -10.015 507 HB2 ALA 65 HB2 ALA 65 -5.407 3.092 -9.077 508 HB3 ALA 65 HB3 ALA 65 -4.937 4.653 -8.425 509 H LEU 66 HN LEU 66 -6.177 4.824 -5.976 510 HA LEU 66 HA LEU 66 -6.239 2.263 -4.973 511 HB2 LEU 66 HB2 LEU 66 -4.914 3.019 -3.399 512 HB3 LEU 66 HB1 LEU 66 -5.170 4.647 -3.901 513 HG LEU 66 HG LEU 66 -7.109 4.620 -2.093 514 HD11 LEU 66 HD11 LEU 66 -6.865 3.012 -0.353 515 HD12 LEU 66 HD12 LEU 66 -5.417 2.352 -1.097 516 HD13 LEU 66 HD13 LEU 66 -6.975 2.119 -1.865 517 HD21 LEU 66 HD21 LEU 66 -5.298 6.005 -1.460 518 HD22 LEU 66 HD22 LEU 66 -4.164 4.677 -1.469 519 HD23 LEU 66 HD23 LEU 66 -5.350 4.799 -0.175 520 H TYR 67 HN TYR 67 -9.022 4.563 -4.651 521 HA TYR 67 HA TYR 67 -10.463 2.707 -3.070 522 HB2 TYR 67 HB2 TYR 67 -11.501 5.007 -4.743 523 HB3 TYR 67 HB1 TYR 67 -12.558 3.922 -3.873 524 HD1 TYR 67 HD1 TYR 67 -12.666 3.924 -1.403 525 HD2 TYR 67 HD2 TYR 67 -10.071 6.607 -3.498 526 HE1 TYR 67 HE1 TYR 67 -12.300 5.191 0.663 527 HE2 TYR 67 HE2 TYR 67 -9.725 7.880 -1.427 528 HH TYR 67 HH TYR 67 -10.619 6.677 1.633 529 H ASN 68 HN ASN 68 -9.704 2.379 -6.337 530 HA ASN 68 HA ASN 68 -11.865 0.414 -6.785 531 HB2 ASN 68 HB2 ASN 68 -11.439 1.987 -8.738 532 HB3 ASN 68 HB1 ASN 68 -9.817 1.293 -8.922 533 HD21 ASN 68 HD21 ASN 68 -9.587 -0.688 -9.880 534 HD22 ASN 68 HD22 ASN 68 -10.882 -1.476 -10.695 535 H MET 69 HN MET 69 -8.873 0.363 -5.331 536 HA MET 69 HA MET 69 -7.999 -2.069 -6.708 537 HB2 MET 69 HB2 MET 69 -6.577 0.296 -5.784 538 HB3 MET 69 HB1 MET 69 -5.775 -1.201 -5.319 539 HG2 MET 69 HG2 MET 69 -5.423 -1.844 -7.509 540 HG3 MET 69 HG1 MET 69 -6.779 -0.907 -8.123 541 HE1 MET 69 HE1 MET 69 -4.099 -0.930 -9.745 542 HE2 MET 69 HE2 MET 69 -3.954 0.788 -10.109 543 HE3 MET 69 HE3 MET 69 -5.537 0.007 -10.145 544 H ASN 70 HN ASN 70 -9.386 -1.170 -3.773 545 HA ASN 70 HA ASN 70 -8.390 -3.103 -2.001 546 HB2 ASN 70 HB2 ASN 70 -10.945 -3.034 -1.195 547 HB3 ASN 70 HB1 ASN 70 -9.822 -1.741 -0.821 548 HD21 ASN 70 HD21 ASN 70 -10.941 0.020 -0.827 549 HD22 ASN 70 HD22 ASN 70 -12.039 0.558 -2.050 550 H ASN 71 HN ASN 71 -11.178 -3.486 -4.305 551 HA ASN 71 HA ASN 71 -11.388 -6.276 -3.646 552 HB2 ASN 71 HB2 ASN 71 -13.250 -6.304 -5.231 553 HB3 ASN 71 HB1 ASN 71 -13.386 -4.937 -4.127 554 HD21 ASN 71 HD21 ASN 71 -13.102 -2.807 -4.957 555 HD22 ASN 71 HD22 ASN 71 -13.160 -2.495 -6.657 556 H PHE 72 HN PHE 72 -8.915 -5.197 -5.228 557 HA PHE 72 HA PHE 72 -9.259 -6.758 -7.692 558 HB2 PHE 72 HB2 PHE 72 -8.713 -4.516 -8.256 559 HB3 PHE 72 HB1 PHE 72 -7.527 -4.402 -6.987 560 HD1 PHE 72 HD1 PHE 72 -8.175 -5.999 -10.262 561 HD2 PHE 72 HD2 PHE 72 -5.262 -4.668 -7.460 562 HE1 PHE 72 HE1 PHE 72 -6.411 -6.293 -11.967 563 HE2 PHE 72 HE2 PHE 72 -3.498 -4.970 -9.145 564 HZ PHE 72 HZ PHE 72 -4.067 -5.788 -11.395 565 H GLU 73 HN GLU 73 -7.382 -8.229 -8.355 566 HA GLU 73 HA GLU 73 -6.089 -9.341 -6.016 567 HB2 GLU 73 HB2 GLU 73 -7.208 -11.294 -6.110 568 HB3 GLU 73 HB1 GLU 73 -8.345 -10.489 -7.138 569 HG2 GLU 73 HG2 GLU 73 -6.745 -11.360 -9.032 570 HG3 GLU 73 HG1 GLU 73 -6.258 -12.446 -7.751 571 H LEU 74 HN LEU 74 -3.781 -9.772 -6.408 572 HA LEU 74 HA LEU 74 -2.889 -9.293 -9.161 573 HB2 LEU 74 HB2 LEU 74 -1.880 -8.218 -6.727 574 HB3 LEU 74 HB1 LEU 74 -0.626 -9.361 -7.220 575 HG LEU 74 HG LEU 74 -1.243 -7.879 -9.555 576 HD11 LEU 74 HD11 LEU 74 -0.889 -6.049 -7.198 577 HD12 LEU 74 HD12 LEU 74 -2.406 -6.306 -8.052 578 HD13 LEU 74 HD13 LEU 74 -1.032 -5.587 -8.892 579 HD21 LEU 74 HD21 LEU 74 1.095 -7.290 -7.707 580 HD22 LEU 74 HD22 LEU 74 1.001 -7.024 -9.440 581 HD23 LEU 74 HD23 LEU 74 1.081 -8.665 -8.811 582 H ASN 75 HN ASN 75 -2.520 -11.314 -10.336 583 HA ASN 75 HA ASN 75 -1.797 -13.489 -10.726 584 HB2 ASN 75 HB2 ASN 75 0.288 -12.697 -8.596 585 HB3 ASN 75 HB1 ASN 75 0.356 -14.211 -9.489 586 HD21 ASN 75 HD21 ASN 75 2.584 -13.553 -10.256 587 HD22 ASN 75 HD22 ASN 75 2.700 -12.374 -11.524 588 H GLY 76 HN GLY 76 -4.058 -13.642 -9.311 589 HA2 GLY 76 HA2 GLY 76 -5.392 -14.880 -7.984 590 HA3 GLY 76 HA1 GLY 76 -4.118 -16.046 -8.017 591 H LYS 77 HN LYS 77 -3.813 -12.902 -6.459 592 HA LYS 77 HA LYS 77 -3.799 -14.212 -3.892 593 HB2 LYS 77 HB2 LYS 77 -1.459 -14.332 -4.423 594 HB3 LYS 77 HB1 LYS 77 -1.370 -12.651 -4.918 595 HG2 LYS 77 HG2 LYS 77 -1.656 -11.899 -2.677 596 HG3 LYS 77 HG1 LYS 77 -1.939 -13.535 -2.083 597 HD2 LYS 77 HD2 LYS 77 0.610 -12.548 -3.355 598 HD3 LYS 77 HD1 LYS 77 0.350 -12.677 -1.625 599 HE2 LYS 77 HE2 LYS 77 0.016 -15.189 -2.040 600 HE3 LYS 77 HE1 LYS 77 0.657 -14.879 -3.658 601 HZ1 LYS 77 HZ1 LYS 77 2.432 -15.538 -2.248 602 HZ2 LYS 77 HZ2 LYS 77 2.012 -14.407 -1.064 603 HZ3 LYS 77 HZ3 LYS 77 2.628 -13.883 -2.548 604 H ARG 78 HN ARG 78 -4.331 -12.802 -2.102 605 HA ARG 78 HA ARG 78 -5.808 -10.434 -2.874 606 HB2 ARG 78 HB2 ARG 78 -6.126 -12.260 -0.812 607 HB3 ARG 78 HB1 ARG 78 -5.436 -10.905 0.057 608 HG2 ARG 78 HG2 ARG 78 -8.086 -11.119 -1.381 609 HG3 ARG 78 HG1 ARG 78 -7.761 -10.725 0.297 610 HD2 ARG 78 HD2 ARG 78 -6.907 -8.499 -0.391 611 HD3 ARG 78 HD1 ARG 78 -7.255 -8.911 -2.079 612 HE ARG 78 HE ARG 78 -9.235 -8.532 0.057 613 HH11 ARG 78 HH12 ARG 78 -8.481 -8.809 -3.373 614 HH12 ARG 78 HH11 ARG 78 -10.062 -8.317 -3.877 615 HH21 ARG 78 HH22 ARG 78 -11.293 -7.909 -0.615 616 HH22 ARG 78 HH21 ARG 78 -11.661 -7.802 -2.305 617 H ILE 79 HN ILE 79 -4.954 -8.171 -2.569 618 HA ILE 79 HA ILE 79 -2.472 -7.991 -0.903 619 HB ILE 79 HB ILE 79 -1.424 -6.329 -2.267 620 HG12 ILE 79 HG12 ILE 79 -3.320 -4.833 -2.730 621 HG13 ILE 79 HG11 ILE 79 -2.280 -5.079 -4.112 622 HG21 ILE 79 HG21 ILE 79 -2.451 -7.822 -4.637 623 HG22 ILE 79 HG22 ILE 79 -1.384 -8.607 -3.496 624 HG23 ILE 79 HG23 ILE 79 -0.873 -7.154 -4.333 625 HD11 ILE 79 HD11 ILE 79 -5.037 -6.143 -3.719 626 HD12 ILE 79 HD12 ILE 79 -3.948 -6.686 -4.995 627 HD13 ILE 79 HD13 ILE 79 -4.450 -5.002 -4.925 628 H HIS 80 HN HIS 80 -2.426 -6.295 0.609 629 HA HIS 80 HA HIS 80 -5.004 -4.844 0.897 630 HB2 HIS 80 HB2 HIS 80 -3.422 -6.008 2.865 631 HB3 HIS 80 HB1 HIS 80 -3.018 -4.306 3.038 632 HD1 HIS 80 HD1 HIS 80 -5.033 -2.626 3.473 633 HD2 HIS 80 HD2 HIS 80 -5.958 -6.665 3.970 634 HE1 HIS 80 HE1 HIS 80 -7.185 -2.688 4.775 635 HE2 HIS 80 HE2 HIS 80 -7.653 -5.139 5.144 636 H VAL 81 HN VAL 81 -5.159 -2.502 0.745 637 HA VAL 81 HA VAL 81 -2.650 -1.223 -0.231 638 HB VAL 81 HB VAL 81 -5.391 -0.527 -1.506 639 HG11 VAL 81 HG11 VAL 81 -4.119 0.289 -3.438 640 HG12 VAL 81 HG12 VAL 81 -2.639 0.120 -2.547 641 HG13 VAL 81 HG13 VAL 81 -3.878 1.232 -1.987 642 HG21 VAL 81 HG21 VAL 81 -3.522 -2.688 -2.458 643 HG22 VAL 81 HG22 VAL 81 -4.436 -1.740 -3.599 644 HG23 VAL 81 HG23 VAL 81 -5.271 -2.675 -2.380 645 H ASN 82 HN ASN 82 -2.077 0.786 0.884 646 HA ASN 82 HA ASN 82 -4.191 2.551 1.932 647 HB2 ASN 82 HB2 ASN 82 -3.979 0.787 3.798 648 HB3 ASN 82 HB1 ASN 82 -2.342 1.370 4.085 649 HD21 ASN 82 HD21 ASN 82 -5.157 3.354 3.279 650 HD22 ASN 82 HD22 ASN 82 -5.226 4.170 4.806 651 H TYR 83 HN TYR 83 -2.946 4.408 3.411 652 HA TYR 83 HA TYR 83 -0.968 5.398 1.523 653 HB2 TYR 83 HB2 TYR 83 -2.648 7.067 1.840 654 HB3 TYR 83 HB1 TYR 83 -2.725 6.791 3.590 655 HD1 TYR 83 HD1 TYR 83 -0.548 8.248 0.876 656 HD2 TYR 83 HD2 TYR 83 -1.538 8.224 5.028 657 HE1 TYR 83 HE1 TYR 83 0.877 10.198 1.227 658 HE2 TYR 83 HE2 TYR 83 -0.102 10.190 5.372 659 HH TYR 83 HH TYR 83 1.143 12.017 2.771 660 H SER 84 HN SER 84 1.147 6.725 2.594 661 HA SER 84 HA SER 84 2.099 4.867 4.705 662 HB2 SER 84 HB2 SER 84 3.820 6.003 2.484 663 HB3 SER 84 HB1 SER 84 4.267 4.787 3.670 664 HG SER 84 HG SER 84 3.518 4.124 1.441 665 H LYS 85 HN LYS 85 4.711 6.099 4.854 666 HA LYS 85 HA LYS 85 3.823 8.049 6.894 667 HB2 LYS 85 HB2 LYS 85 4.775 5.880 7.824 668 HB3 LYS 85 HB1 LYS 85 6.281 6.223 6.996 669 HG2 LYS 85 HG2 LYS 85 5.397 8.131 9.196 670 HG3 LYS 85 HG1 LYS 85 6.055 6.559 9.599 671 HD2 LYS 85 HD2 LYS 85 8.019 7.646 9.584 672 HD3 LYS 85 HD1 LYS 85 7.951 7.285 7.869 673 HE2 LYS 85 HE2 LYS 85 8.683 9.615 8.386 674 HE3 LYS 85 HE1 LYS 85 7.265 9.525 7.354 675 HZ1 LYS 85 HZ1 LYS 85 7.020 11.239 9.047 676 HZ2 LYS 85 HZ2 LYS 85 7.217 10.090 10.276 677 HZ3 LYS 85 HZ3 LYS 85 5.867 10.017 9.260 678 H THR 86 HN THR 86 4.216 10.153 5.939 679 HA THR 86 HA THR 86 7.033 10.810 5.885 680 HB THR 86 HB THR 86 6.768 10.531 3.503 681 HG1 THR 86 HG1 THR 86 6.583 13.202 3.284 682 HG21 THR 86 HG21 THR 86 5.112 11.858 2.195 683 HG22 THR 86 HG22 THR 86 4.338 12.320 3.710 684 HG23 THR 86 HG23 THR 86 4.375 10.628 3.207 Start of MODEL 5 1 H1 GLY -2 HT1 GLY -2 -6.937 -10.178 9.930 2 H2 GLY -2 HT2 GLY -2 -7.907 -9.808 8.601 3 H3 GLY -2 HT3 GLY -2 -8.613 -10.075 10.115 4 HA2 GLY -2 HA1 GLY -2 -8.553 -7.715 9.609 5 HA3 GLY -2 HA2 GLY -2 -7.553 -8.100 11.000 6 H SER -1 HN SER -1 -7.200 -5.747 9.541 7 HA SER -1 HA SER -1 -4.571 -6.207 8.326 8 HB2 SER -1 HB2 SER -1 -6.474 -4.241 7.062 9 HB3 SER -1 HB1 SER -1 -5.056 -5.018 6.364 10 HG SER -1 HG SER -1 -6.211 -6.937 6.217 11 H HIS 0 HN HIS 0 -3.931 -3.571 7.632 12 HA HIS 0 HA HIS 0 -3.624 -2.234 10.177 13 HB2 HIS 0 HB2 HIS 0 -2.116 -2.297 7.913 14 HB3 HIS 0 HB1 HIS 0 -2.938 -0.761 7.706 15 HD1 HIS 0 HD1 HIS 0 -0.361 -2.511 9.751 16 HD2 HIS 0 HD2 HIS 0 -2.090 1.263 9.481 17 HE1 HIS 0 HE1 HIS 0 1.124 -0.992 11.087 18 HE2 HIS 0 HE2 HIS 0 0.172 1.312 10.739 19 H MET 1 HN MET 1 -4.147 0.179 10.352 20 HA MET 1 HA MET 1 -6.906 0.565 9.399 21 HB2 MET 1 HB2 MET 1 -6.007 -0.071 12.005 22 HB3 MET 1 HB1 MET 1 -6.331 1.661 12.058 23 HG2 MET 1 HG2 MET 1 -8.603 1.390 11.786 24 HG3 MET 1 HG1 MET 1 -8.417 -0.169 10.959 25 HE1 MET 1 HE1 MET 1 -10.412 -1.235 14.110 26 HE2 MET 1 HE2 MET 1 -10.285 -1.336 12.354 27 HE3 MET 1 HE3 MET 1 -10.622 0.213 13.127 28 H SER 2 HN SER 2 -7.407 2.669 8.602 29 HA SER 2 HA SER 2 -5.927 4.965 9.594 30 HB2 SER 2 HB2 SER 2 -5.053 5.674 7.477 31 HB3 SER 2 HB1 SER 2 -4.613 3.956 7.610 32 HG SER 2 HG SER 2 -7.073 4.350 6.467 33 H ASP 3 HN ASP 3 -7.034 7.034 9.070 34 HA ASP 3 HA ASP 3 -9.556 6.767 7.537 35 HB2 ASP 3 HB2 ASP 3 -9.731 7.200 10.082 36 HB3 ASP 3 HB1 ASP 3 -9.108 8.806 9.724 37 H ASN 4 HN ASN 4 -7.365 7.286 5.934 38 HA ASN 4 HA ASN 4 -7.338 10.216 5.644 39 HB2 ASN 4 HB2 ASN 4 -4.848 10.026 4.970 40 HB3 ASN 4 HB1 ASN 4 -5.252 10.014 6.676 41 HD21 ASN 4 HD21 ASN 4 -5.491 7.279 4.397 42 HD22 ASN 4 HD22 ASN 4 -4.278 6.333 5.179 43 H ASN 5 HN ASN 5 -7.112 11.090 3.611 44 HA ASN 5 HA ASN 5 -8.301 9.427 1.593 45 HB2 ASN 5 HB2 ASN 5 -8.292 12.185 2.162 46 HB3 ASN 5 HB1 ASN 5 -7.605 12.019 0.550 47 HD21 ASN 5 HD21 ASN 5 -10.417 11.573 2.520 48 HD22 ASN 5 HD22 ASN 5 -11.522 11.274 1.228 49 H ALA 6 HN ALA 6 -4.943 10.360 2.028 50 HA ALA 6 HA ALA 6 -3.047 9.867 0.948 51 HB1 ALA 6 HB1 ALA 6 -4.275 7.665 0.458 52 HB2 ALA 6 HB2 ALA 6 -2.837 8.071 -0.479 53 HB3 ALA 6 HB3 ALA 6 -4.441 8.294 -1.180 54 H THR 7 HN THR 7 -2.354 11.865 0.197 55 HA THR 7 HA THR 7 -2.770 12.095 -2.704 56 HB THR 7 HB THR 7 -3.013 14.202 -1.673 57 HG1 THR 7 HG1 THR 7 -0.386 14.284 -2.786 58 HG21 THR 7 HG21 THR 7 -0.292 13.825 -0.418 59 HG22 THR 7 HG22 THR 7 -1.841 13.981 0.418 60 HG23 THR 7 HG23 THR 7 -1.171 15.350 -0.464 61 H ASP 8 HN ASP 8 -1.158 11.266 -4.116 62 HA ASP 8 HA ASP 8 0.655 10.572 -5.117 63 HB2 ASP 8 HB2 ASP 8 2.441 12.185 -5.159 64 HB3 ASP 8 HB1 ASP 8 0.991 13.038 -4.797 65 H ILE 9 HN ILE 9 0.243 9.234 -2.246 66 HA ILE 9 HA ILE 9 2.767 7.770 -2.303 67 HB ILE 9 HB ILE 9 1.715 8.784 0.359 68 HG12 ILE 9 HG12 ILE 9 4.256 9.708 -1.035 69 HG13 ILE 9 HG11 ILE 9 2.741 10.432 -1.408 70 HG21 ILE 9 HG21 ILE 9 4.390 7.501 -0.245 71 HG22 ILE 9 HG22 ILE 9 2.977 6.588 0.275 72 HG23 ILE 9 HG23 ILE 9 3.647 7.810 1.317 73 HD11 ILE 9 HD11 ILE 9 2.498 11.315 0.812 74 HD12 ILE 9 HD12 ILE 9 4.054 11.764 0.120 75 HD13 ILE 9 HD13 ILE 9 3.974 10.497 1.326 76 H LEU 10 HN LEU 10 2.423 5.632 -2.507 77 HA LEU 10 HA LEU 10 -0.225 4.623 -1.702 78 HB2 LEU 10 HB2 LEU 10 0.991 4.810 -4.370 79 HB3 LEU 10 HB1 LEU 10 0.357 3.219 -3.984 80 HG LEU 10 HG LEU 10 -1.206 4.930 -5.224 81 HD11 LEU 10 HD11 LEU 10 -3.131 3.960 -4.186 82 HD12 LEU 10 HD12 LEU 10 -2.108 3.286 -2.926 83 HD13 LEU 10 HD13 LEU 10 -1.881 2.805 -4.615 84 HD21 LEU 10 HD21 LEU 10 -1.954 5.810 -2.393 85 HD22 LEU 10 HD22 LEU 10 -2.557 6.432 -3.904 86 HD23 LEU 10 HD23 LEU 10 -0.925 6.813 -3.409 87 H PHE 11 HN PHE 11 0.469 3.351 0.101 88 HA PHE 11 HA PHE 11 2.425 1.313 -0.084 89 HB2 PHE 11 HB2 PHE 11 1.790 2.289 2.044 90 HB3 PHE 11 HB1 PHE 11 0.146 1.733 1.863 91 HD1 PHE 11 HD2 PHE 11 3.620 0.656 2.590 92 HD2 PHE 11 HD1 PHE 11 -0.525 -0.375 2.732 93 HE1 PHE 11 HE2 PHE 11 4.116 -1.047 4.211 94 HE2 PHE 11 HE1 PHE 11 0.016 -2.111 4.397 95 HZ PHE 11 HZ PHE 11 2.327 -2.477 5.102 96 H VAL 12 HN VAL 12 2.347 -0.728 -0.654 97 HA VAL 12 HA VAL 12 -0.174 -1.921 -1.606 98 HB VAL 12 HB VAL 12 2.486 -2.513 -3.001 99 HG11 VAL 12 HG11 VAL 12 1.028 -4.503 -2.971 100 HG12 VAL 12 HG12 VAL 12 1.410 -3.898 -4.573 101 HG13 VAL 12 HG13 VAL 12 -0.171 -3.582 -3.883 102 HG21 VAL 12 HG21 VAL 12 2.023 -0.663 -4.229 103 HG22 VAL 12 HG22 VAL 12 0.317 -0.664 -3.838 104 HG23 VAL 12 HG23 VAL 12 0.940 -1.755 -5.063 105 H GLY 13 HN GLY 13 -0.270 -4.512 -1.241 106 HA2 GLY 13 HA2 GLY 13 0.816 -4.959 1.444 107 HA3 GLY 13 HA1 GLY 13 -0.528 -5.813 0.723 108 H GLY 14 HN GLY 14 0.678 -7.667 1.660 109 HA2 GLY 14 HA2 GLY 14 3.009 -8.556 0.466 110 HA3 GLY 14 HA1 GLY 14 1.848 -9.582 1.222 111 H ILE 15 HN ILE 15 3.531 -9.334 -1.497 112 HA ILE 15 HA ILE 15 1.294 -10.147 -3.193 113 HB ILE 15 HB ILE 15 3.610 -9.625 -4.827 114 HG12 ILE 15 HG12 ILE 15 3.318 -7.748 -2.609 115 HG13 ILE 15 HG11 ILE 15 4.565 -7.838 -3.824 116 HG21 ILE 15 HG21 ILE 15 2.075 -8.298 -6.058 117 HG22 ILE 15 HG22 ILE 15 1.014 -8.136 -4.664 118 HG23 ILE 15 HG23 ILE 15 1.204 -9.709 -5.446 119 HD11 ILE 15 HD11 ILE 15 3.794 -5.704 -4.041 120 HD12 ILE 15 HD12 ILE 15 2.126 -6.157 -3.742 121 HD13 ILE 15 HD13 ILE 15 2.879 -6.528 -5.288 122 H ASP 16 HN ASP 16 2.027 -11.661 -5.093 123 HA ASP 16 HA ASP 16 2.703 -14.133 -3.844 124 HB2 ASP 16 HB2 ASP 16 1.389 -14.870 -5.484 125 HB3 ASP 16 HB1 ASP 16 1.254 -13.266 -6.145 126 H GLU 17 HN GLU 17 4.405 -15.668 -4.996 127 HA GLU 17 HA GLU 17 6.803 -14.049 -4.824 128 HB2 GLU 17 HB2 GLU 17 8.062 -16.258 -4.422 129 HB3 GLU 17 HB1 GLU 17 6.854 -15.819 -3.219 130 HG2 GLU 17 HG2 GLU 17 5.303 -17.387 -4.593 131 HG3 GLU 17 HG1 GLU 17 6.826 -18.027 -5.214 132 H THR 18 HN THR 18 5.299 -14.870 -7.735 133 HA THR 18 HA THR 18 8.014 -14.941 -8.877 134 HB THR 18 HB THR 18 6.718 -16.937 -9.658 135 HG1 THR 18 HG1 THR 18 8.023 -16.840 -11.245 136 HG21 THR 18 HG21 THR 18 5.207 -16.675 -11.627 137 HG22 THR 18 HG22 THR 18 5.101 -14.950 -11.316 138 HG23 THR 18 HG23 THR 18 4.451 -16.104 -10.149 139 H ILE 19 HN ILE 19 6.125 -12.472 -8.135 140 HA ILE 19 HA ILE 19 6.607 -10.983 -10.605 141 HB ILE 19 HB ILE 19 5.442 -9.040 -9.819 142 HG12 ILE 19 HG12 ILE 19 5.683 -8.361 -7.627 143 HG13 ILE 19 HG11 ILE 19 4.190 -9.254 -7.381 144 HG21 ILE 19 HG21 ILE 19 3.850 -11.468 -9.071 145 HG22 ILE 19 HG22 ILE 19 3.881 -10.613 -10.607 146 HG23 ILE 19 HG23 ILE 19 3.181 -9.852 -9.186 147 HD11 ILE 19 HD11 ILE 19 6.137 -9.532 -5.724 148 HD12 ILE 19 HD12 ILE 19 6.850 -10.564 -6.954 149 HD13 ILE 19 HD13 ILE 19 5.267 -10.960 -6.261 150 H ASP 20 HN ASP 20 7.818 -8.939 -10.530 151 HA ASP 20 HA ASP 20 9.842 -8.799 -8.425 152 HB2 ASP 20 HB2 ASP 20 10.525 -10.153 -10.536 153 HB3 ASP 20 HB1 ASP 20 10.655 -8.607 -11.326 154 H GLU 21 HN GLU 21 11.393 -6.727 -9.250 155 HA GLU 21 HA GLU 21 9.936 -4.422 -8.784 156 HB2 GLU 21 HB2 GLU 21 12.329 -4.265 -8.408 157 HB3 GLU 21 HB1 GLU 21 12.703 -4.726 -10.037 158 HG2 GLU 21 HG2 GLU 21 11.457 -2.059 -9.519 159 HG3 GLU 21 HG1 GLU 21 13.133 -2.346 -9.171 160 H LYS 22 HN LYS 22 10.921 -5.350 -12.140 161 HA LYS 22 HA LYS 22 9.754 -3.108 -13.318 162 HB2 LYS 22 HB2 LYS 22 10.059 -4.072 -15.490 163 HB3 LYS 22 HB1 LYS 22 11.487 -4.263 -14.507 164 HG2 LYS 22 HG2 LYS 22 9.490 -6.465 -15.156 165 HG3 LYS 22 HG1 LYS 22 10.992 -6.173 -16.011 166 HD2 LYS 22 HD2 LYS 22 10.769 -7.067 -13.101 167 HD3 LYS 22 HD1 LYS 22 11.249 -8.044 -14.483 168 HE2 LYS 22 HE2 LYS 22 12.759 -5.620 -13.486 169 HE3 LYS 22 HE1 LYS 22 13.208 -7.298 -13.177 170 HZ1 LYS 22 HZ1 LYS 22 14.492 -6.486 -14.993 171 HZ2 LYS 22 HZ2 LYS 22 13.123 -5.913 -15.799 172 HZ3 LYS 22 HZ3 LYS 22 13.361 -7.576 -15.623 173 H SER 23 HN SER 23 8.341 -6.250 -12.784 174 HA SER 23 HA SER 23 6.009 -6.020 -14.247 175 HB2 SER 23 HB2 SER 23 5.463 -7.605 -11.942 176 HB3 SER 23 HB1 SER 23 5.879 -8.130 -13.576 177 HG SER 23 HG SER 23 7.677 -7.508 -11.464 178 H LEU 24 HN LEU 24 6.582 -4.908 -10.854 179 HA LEU 24 HA LEU 24 3.854 -3.997 -10.585 180 HB2 LEU 24 HB2 LEU 24 6.198 -3.415 -8.786 181 HB3 LEU 24 HB1 LEU 24 4.584 -2.827 -8.507 182 HG LEU 24 HG LEU 24 5.262 -5.759 -8.748 183 HD11 LEU 24 HD11 LEU 24 6.481 -4.887 -6.826 184 HD12 LEU 24 HD12 LEU 24 5.122 -5.881 -6.300 185 HD13 LEU 24 HD13 LEU 24 5.006 -4.128 -6.238 186 HD21 LEU 24 HD21 LEU 24 2.881 -5.337 -9.076 187 HD22 LEU 24 HD22 LEU 24 2.826 -4.406 -7.586 188 HD23 LEU 24 HD23 LEU 24 3.160 -6.117 -7.534 189 H TYR 25 HN TYR 25 6.578 -2.388 -12.047 190 HA TYR 25 HA TYR 25 5.439 0.166 -12.284 191 HB2 TYR 25 HB2 TYR 25 7.848 -0.653 -12.986 192 HB3 TYR 25 HB1 TYR 25 7.139 -1.101 -14.513 193 HD1 TYR 25 HD2 TYR 25 5.665 1.309 -15.425 194 HD2 TYR 25 HD1 TYR 25 9.361 1.037 -13.206 195 HE1 TYR 25 HE2 TYR 25 6.366 3.489 -16.280 196 HE2 TYR 25 HE1 TYR 25 10.039 3.201 -14.134 197 HH TYR 25 HH TYR 25 7.959 5.346 -15.608 198 H ASP 26 HN ASP 26 5.364 -2.468 -14.826 199 HA ASP 26 HA ASP 26 3.589 -1.177 -16.529 200 HB2 ASP 26 HB2 ASP 26 5.212 -3.319 -16.868 201 HB3 ASP 26 HB1 ASP 26 3.639 -4.106 -16.878 202 H ILE 27 HN ILE 27 2.599 -3.664 -14.079 203 HA ILE 27 HA ILE 27 -0.029 -3.757 -15.155 204 HB ILE 27 HB ILE 27 0.665 -4.731 -12.306 205 HG12 ILE 27 HG12 ILE 27 0.256 -6.812 -14.397 206 HG13 ILE 27 HG11 ILE 27 1.706 -5.892 -14.705 207 HG21 ILE 27 HG21 ILE 27 -1.340 -5.984 -12.389 208 HG22 ILE 27 HG22 ILE 27 -1.556 -5.666 -14.103 209 HG23 ILE 27 HG23 ILE 27 -1.749 -4.371 -12.938 210 HD11 ILE 27 HD11 ILE 27 2.057 -8.023 -13.504 211 HD12 ILE 27 HD12 ILE 27 1.168 -7.399 -12.120 212 HD13 ILE 27 HD13 ILE 27 2.675 -6.637 -12.631 213 H PHE 28 HN PHE 28 1.276 -1.640 -12.458 214 HA PHE 28 HA PHE 28 -1.269 -0.308 -12.221 215 HB2 PHE 28 HB2 PHE 28 1.449 0.102 -11.075 216 HB3 PHE 28 HB1 PHE 28 0.157 1.260 -10.817 217 HD1 PHE 28 HD1 PHE 28 0.630 -2.460 -10.439 218 HD2 PHE 28 HD2 PHE 28 -0.899 1.189 -8.863 219 HE1 PHE 28 HE1 PHE 28 -0.133 -3.642 -8.409 220 HE2 PHE 28 HE2 PHE 28 -1.625 0.040 -6.838 221 HZ PHE 28 HZ PHE 28 -1.256 -2.393 -6.601 222 H SER 29 HN SER 29 1.122 -0.001 -14.748 223 HA SER 29 HA SER 29 1.076 2.900 -14.712 224 HB2 SER 29 HB2 SER 29 2.418 2.756 -16.870 225 HB3 SER 29 HB1 SER 29 3.264 2.258 -15.398 226 HG SER 29 HG SER 29 2.390 0.784 -17.596 227 H SER 30 HN SER 30 -1.075 0.655 -15.742 228 HA SER 30 HA SER 30 -1.740 1.546 -18.345 229 HB2 SER 30 HB2 SER 30 -3.930 0.297 -17.928 230 HB3 SER 30 HB1 SER 30 -2.457 -0.664 -17.769 231 HG SER 30 HG SER 30 -2.862 -0.922 -15.693 232 H PHE 31 HN PHE 31 -3.307 2.407 -15.145 233 HA PHE 31 HA PHE 31 -4.496 4.718 -16.399 234 HB2 PHE 31 HB2 PHE 31 -4.424 3.627 -13.629 235 HB3 PHE 31 HB1 PHE 31 -4.691 5.351 -13.807 236 HD1 PHE 31 HD1 PHE 31 -5.986 2.281 -15.562 237 HD2 PHE 31 HD2 PHE 31 -6.881 5.928 -13.541 238 HE1 PHE 31 HE1 PHE 31 -8.397 1.881 -15.892 239 HE2 PHE 31 HE2 PHE 31 -9.285 5.528 -13.876 240 HZ PHE 31 HZ PHE 31 -10.045 3.503 -15.050 241 H GLY 32 HN GLY 32 -1.537 4.141 -14.572 242 HA2 GLY 32 HA2 GLY 32 -0.789 6.983 -14.791 243 HA3 GLY 32 HA1 GLY 32 -0.865 6.197 -13.241 244 H ASP 33 HN ASP 33 1.216 6.979 -15.724 245 HA ASP 33 HA ASP 33 3.305 5.076 -15.407 246 HB2 ASP 33 HB2 ASP 33 3.747 7.985 -16.161 247 HB3 ASP 33 HB1 ASP 33 4.866 6.655 -16.385 248 H ILE 34 HN ILE 34 5.632 5.647 -14.365 249 HA ILE 34 HA ILE 34 4.870 6.205 -11.557 250 HB ILE 34 HB ILE 34 6.400 3.768 -12.597 251 HG12 ILE 34 HG12 ILE 34 4.020 3.252 -12.700 252 HG13 ILE 34 HG11 ILE 34 4.680 2.438 -11.324 253 HG21 ILE 34 HG21 ILE 34 7.605 4.392 -10.682 254 HG22 ILE 34 HG22 ILE 34 6.683 2.943 -10.318 255 HG23 ILE 34 HG23 ILE 34 6.150 4.497 -9.724 256 HD11 ILE 34 HD11 ILE 34 2.446 4.000 -11.336 257 HD12 ILE 34 HD12 ILE 34 3.621 5.035 -10.567 258 HD13 ILE 34 HD13 ILE 34 3.319 3.440 -9.914 259 H ARG 35 HN ARG 35 6.469 7.156 -10.043 260 HA ARG 35 HA ARG 35 8.807 8.382 -11.261 261 HB2 ARG 35 HB2 ARG 35 7.099 9.192 -9.112 262 HB3 ARG 35 HB1 ARG 35 8.700 9.024 -8.407 263 HG2 ARG 35 HG2 ARG 35 9.620 10.719 -9.667 264 HG3 ARG 35 HG1 ARG 35 8.366 10.699 -10.877 265 HD2 ARG 35 HD2 ARG 35 7.581 11.385 -8.095 266 HD3 ARG 35 HD1 ARG 35 8.506 12.560 -9.014 267 HE ARG 35 HE ARG 35 5.818 11.558 -9.696 268 HH11 ARG 35 HH12 ARG 35 8.422 13.881 -10.201 269 HH12 ARG 35 HH11 ARG 35 7.453 14.959 -11.144 270 HH21 ARG 35 HH22 ARG 35 4.522 13.063 -10.902 271 HH22 ARG 35 HH21 ARG 35 5.255 14.497 -11.539 272 H ASN 36 HN ASN 36 8.570 5.741 -8.706 273 HA ASN 36 HA ASN 36 11.361 5.285 -8.681 274 HB2 ASN 36 HB2 ASN 36 11.254 7.583 -7.451 275 HB3 ASN 36 HB1 ASN 36 10.460 6.698 -6.134 276 HD21 ASN 36 HD21 ASN 36 11.853 6.137 -4.537 277 HD22 ASN 36 HD22 ASN 36 13.503 5.710 -4.773 278 H ILE 37 HN ILE 37 11.689 3.084 -7.557 279 HA ILE 37 HA ILE 37 9.244 2.188 -6.172 280 HB ILE 37 HB ILE 37 10.648 0.335 -8.109 281 HG12 ILE 37 HG12 ILE 37 8.766 2.523 -8.793 282 HG13 ILE 37 HG11 ILE 37 10.167 1.917 -9.654 283 HG21 ILE 37 HG21 ILE 37 8.358 -0.728 -8.308 284 HG22 ILE 37 HG22 ILE 37 7.962 0.130 -6.843 285 HG23 ILE 37 HG23 ILE 37 9.273 -1.008 -6.839 286 HD11 ILE 37 HD11 ILE 37 8.144 1.466 -10.880 287 HD12 ILE 37 HD12 ILE 37 7.493 0.550 -9.514 288 HD13 ILE 37 HD13 ILE 37 8.921 -0.039 -10.378 289 H GLU 38 HN GLU 38 9.633 1.342 -4.193 290 HA GLU 38 HA GLU 38 12.249 -0.029 -3.851 291 HB2 GLU 38 HB2 GLU 38 12.222 2.065 -2.420 292 HB3 GLU 38 HB1 GLU 38 10.815 1.498 -1.598 293 HG2 GLU 38 HG2 GLU 38 13.066 -0.343 -1.399 294 HG3 GLU 38 HG1 GLU 38 13.423 1.229 -0.795 295 H VAL 39 HN VAL 39 11.896 -2.100 -4.128 296 HA VAL 39 HA VAL 39 9.870 -3.421 -2.404 297 HB VAL 39 HB VAL 39 10.455 -4.230 -5.304 298 HG11 VAL 39 HG11 VAL 39 8.515 -5.569 -3.402 299 HG12 VAL 39 HG12 VAL 39 10.075 -6.220 -3.886 300 HG13 VAL 39 HG13 VAL 39 8.798 -6.010 -5.081 301 HG21 VAL 39 HG21 VAL 39 8.855 -2.406 -5.373 302 HG22 VAL 39 HG22 VAL 39 7.875 -3.188 -4.155 303 HG23 VAL 39 HG23 VAL 39 8.031 -3.908 -5.734 304 HA PRO 40 HA PRO 40 13.973 -5.561 -1.576 305 HB2 PRO 40 HB2 PRO 40 12.925 -6.699 0.757 306 HB3 PRO 40 HB1 PRO 40 13.922 -5.240 0.703 307 HG2 PRO 40 HG2 PRO 40 11.000 -5.503 0.879 308 HG3 PRO 40 HG1 PRO 40 12.090 -4.350 1.664 309 HD2 PRO 40 HD2 PRO 40 10.620 -3.562 -0.423 310 HD3 PRO 40 HD1 PRO 40 12.283 -3.028 -0.203 311 H LEU 41 HN LEU 41 14.371 -7.754 -2.048 312 HA LEU 41 HA LEU 41 12.099 -9.614 -2.184 313 HB2 LEU 41 HB2 LEU 41 13.223 -8.400 -4.608 314 HB3 LEU 41 HB1 LEU 41 13.497 -10.108 -4.648 315 HG LEU 41 HG LEU 41 11.364 -10.469 -5.382 316 HD11 LEU 41 HD11 LEU 41 10.196 -8.537 -3.354 317 HD12 LEU 41 HD12 LEU 41 10.131 -10.295 -3.313 318 HD13 LEU 41 HD13 LEU 41 9.275 -9.424 -4.557 319 HD21 LEU 41 HD21 LEU 41 11.281 -7.474 -5.525 320 HD22 LEU 41 HD22 LEU 41 10.136 -8.555 -6.302 321 HD23 LEU 41 HD23 LEU 41 11.833 -8.595 -6.781 322 H ASN 42 HN ASN 42 13.011 -11.871 -1.664 323 HA ASN 42 HA ASN 42 15.869 -11.603 -0.959 324 HB2 ASN 42 HB2 ASN 42 14.413 -12.105 1.013 325 HB3 ASN 42 HB1 ASN 42 13.818 -13.587 0.258 326 HD21 ASN 42 HD21 ASN 42 15.195 -13.093 2.779 327 HD22 ASN 42 HD22 ASN 42 16.597 -14.106 2.767 328 H MET 43 HN MET 43 17.404 -12.754 -2.270 329 HA MET 43 HA MET 43 16.370 -14.009 -4.563 330 HB2 MET 43 HB2 MET 43 18.693 -12.741 -4.131 331 HB3 MET 43 HB1 MET 43 19.288 -14.361 -3.817 332 HG2 MET 43 HG2 MET 43 17.828 -13.959 -6.389 333 HG3 MET 43 HG1 MET 43 19.411 -13.207 -6.209 334 HE1 MET 43 HE1 MET 43 21.247 -15.173 -4.643 335 HE2 MET 43 HE2 MET 43 21.624 -14.393 -6.177 336 HE3 MET 43 HE3 MET 43 21.860 -16.133 -5.989 337 H THR 44 HN THR 44 16.441 -15.600 -1.599 338 HA THR 44 HA THR 44 17.134 -18.138 -2.790 339 HB THR 44 HB THR 44 16.406 -17.630 0.156 340 HG1 THR 44 HG1 THR 44 18.588 -17.086 -1.216 341 HG21 THR 44 HG21 THR 44 15.999 -20.035 -0.608 342 HG22 THR 44 HG22 THR 44 17.199 -19.828 0.661 343 HG23 THR 44 HG23 THR 44 17.724 -20.122 -0.992 344 H THR 45 HN THR 45 14.060 -16.883 -1.156 345 HA THR 45 HA THR 45 12.735 -18.645 -3.086 346 HB THR 45 HB THR 45 11.906 -19.837 -1.437 347 HG1 THR 45 HG1 THR 45 10.092 -18.250 -1.996 348 HG21 THR 45 HG21 THR 45 12.379 -17.662 0.626 349 HG22 THR 45 HG22 THR 45 13.316 -19.137 0.362 350 HG23 THR 45 HG23 THR 45 11.678 -19.242 0.962 351 H LYS 46 HN LYS 46 13.328 -15.546 -3.037 352 HA LYS 46 HA LYS 46 12.423 -13.533 -3.530 353 HB2 LYS 46 HB2 LYS 46 12.149 -14.731 -5.677 354 HB3 LYS 46 HB1 LYS 46 10.552 -15.278 -5.171 355 HG2 LYS 46 HG2 LYS 46 9.628 -13.419 -5.927 356 HG3 LYS 46 HG1 LYS 46 10.704 -12.400 -5.011 357 HD2 LYS 46 HD2 LYS 46 10.984 -11.717 -7.251 358 HD3 LYS 46 HD1 LYS 46 12.384 -12.724 -6.947 359 HE2 LYS 46 HE2 LYS 46 11.385 -14.556 -8.178 360 HE3 LYS 46 HE1 LYS 46 9.882 -13.643 -8.360 361 HZ1 LYS 46 HZ1 LYS 46 11.209 -13.505 -10.358 362 HZ2 LYS 46 HZ2 LYS 46 12.527 -12.905 -9.488 363 HZ3 LYS 46 HZ3 LYS 46 11.121 -11.979 -9.628 364 H LYS 47 HN LYS 47 11.780 -13.008 -1.443 365 HA LYS 47 HA LYS 47 8.905 -13.232 -0.863 366 HB2 LYS 47 HB2 LYS 47 11.221 -13.637 1.107 367 HB3 LYS 47 HB1 LYS 47 9.568 -13.419 1.620 368 HG2 LYS 47 HG2 LYS 47 10.895 -15.885 0.459 369 HG3 LYS 47 HG1 LYS 47 9.792 -15.701 1.824 370 HD2 LYS 47 HD2 LYS 47 8.903 -15.360 -1.047 371 HD3 LYS 47 HD1 LYS 47 8.805 -16.876 -0.171 372 HE2 LYS 47 HE2 LYS 47 7.320 -15.872 1.468 373 HE3 LYS 47 HE1 LYS 47 7.443 -14.318 0.640 374 HZ1 LYS 47 HZ1 LYS 47 6.417 -15.303 -1.313 375 HZ2 LYS 47 HZ2 LYS 47 5.412 -15.536 0.026 376 HZ3 LYS 47 HZ3 LYS 47 6.345 -16.818 -0.568 377 H ASN 48 HN ASN 48 7.979 -11.292 -0.324 378 HA ASN 48 HA ASN 48 9.754 -8.970 -0.553 379 HB2 ASN 48 HB2 ASN 48 7.629 -7.634 -0.797 380 HB3 ASN 48 HB1 ASN 48 7.945 -8.799 -2.078 381 HD21 ASN 48 HD21 ASN 48 6.568 -10.590 -2.283 382 HD22 ASN 48 HD22 ASN 48 5.117 -10.745 -1.350 383 H ARG 49 HN ARG 49 8.872 -10.759 1.957 384 HA ARG 49 HA ARG 49 8.172 -10.557 4.092 385 HB2 ARG 49 HB2 ARG 49 9.605 -8.767 5.416 386 HB3 ARG 49 HB1 ARG 49 10.333 -10.223 4.792 387 HG2 ARG 49 HG2 ARG 49 11.045 -8.828 2.795 388 HG3 ARG 49 HG1 ARG 49 10.596 -7.409 3.761 389 HD2 ARG 49 HD2 ARG 49 12.169 -8.345 5.547 390 HD3 ARG 49 HD1 ARG 49 12.736 -9.470 4.310 391 HE ARG 49 HE ARG 49 12.921 -7.051 3.096 392 HH11 ARG 49 HH12 ARG 49 14.195 -8.346 6.103 393 HH12 ARG 49 HH11 ARG 49 15.605 -7.353 6.080 394 HH21 ARG 49 HH22 ARG 49 14.802 -5.758 3.056 395 HH22 ARG 49 HH21 ARG 49 15.950 -5.879 4.340 396 H GLY 50 HN GLY 50 6.009 -9.701 3.093 397 HA2 GLY 50 HA2 GLY 50 4.068 -8.833 3.852 398 HA3 GLY 50 HA1 GLY 50 4.947 -8.230 5.232 399 H PHE 51 HN PHE 51 6.051 -6.777 2.187 400 HA PHE 51 HA PHE 51 4.320 -4.555 2.429 401 HB2 PHE 51 HB2 PHE 51 5.220 -3.106 4.000 402 HB3 PHE 51 HB1 PHE 51 5.613 -4.645 4.712 403 HD1 PHE 51 HD2 PHE 51 7.943 -5.396 4.877 404 HD2 PHE 51 HD1 PHE 51 6.998 -1.479 3.426 405 HE1 PHE 51 HE2 PHE 51 10.258 -4.715 5.153 406 HE2 PHE 51 HE1 PHE 51 9.328 -0.816 3.729 407 HZ PHE 51 HZ PHE 51 10.976 -2.428 4.578 408 H ALA 52 HN ALA 52 4.521 -3.355 0.339 409 HA ALA 52 HA ALA 52 7.301 -2.598 -0.410 410 HB1 ALA 52 HB1 ALA 52 6.408 -2.647 -2.833 411 HB2 ALA 52 HB2 ALA 52 5.090 -3.628 -2.218 412 HB3 ALA 52 HB3 ALA 52 6.749 -4.199 -2.094 413 H PHE 53 HN PHE 53 7.647 -0.468 -1.203 414 HA PHE 53 HA PHE 53 5.392 1.368 -0.947 415 HB2 PHE 53 HB2 PHE 53 8.321 2.006 -1.112 416 HB3 PHE 53 HB1 PHE 53 7.037 3.187 -0.849 417 HD1 PHE 53 HD2 PHE 53 5.409 1.732 1.317 418 HD2 PHE 53 HD1 PHE 53 9.582 2.151 0.686 419 HE1 PHE 53 HE2 PHE 53 5.824 1.383 3.714 420 HE2 PHE 53 HE1 PHE 53 10.018 1.809 3.018 421 HZ PHE 53 HZ PHE 53 8.127 1.426 4.578 422 H VAL 54 HN VAL 54 4.633 2.887 -2.624 423 HA VAL 54 HA VAL 54 5.979 2.818 -5.177 424 HB VAL 54 HB VAL 54 3.101 1.794 -4.994 425 HG11 VAL 54 HG11 VAL 54 2.506 2.039 -7.199 426 HG12 VAL 54 HG12 VAL 54 4.094 2.560 -7.697 427 HG13 VAL 54 HG13 VAL 54 3.073 3.647 -6.758 428 HG21 VAL 54 HG21 VAL 54 5.288 0.821 -6.771 429 HG22 VAL 54 HG22 VAL 54 3.717 0.121 -6.506 430 HG23 VAL 54 HG23 VAL 54 4.883 0.129 -5.208 431 H GLU 55 HN GLU 55 6.390 5.061 -5.666 432 HA GLU 55 HA GLU 55 4.433 7.106 -5.036 433 HB2 GLU 55 HB2 GLU 55 7.195 7.015 -5.372 434 HB3 GLU 55 HB1 GLU 55 6.625 7.950 -6.734 435 HG2 GLU 55 HG2 GLU 55 5.549 8.767 -4.206 436 HG3 GLU 55 HG1 GLU 55 7.259 8.955 -4.296 437 H TYR 56 HN TYR 56 3.499 8.641 -6.773 438 HA TYR 56 HA TYR 56 3.059 7.178 -9.326 439 HB2 TYR 56 HB2 TYR 56 1.069 7.979 -7.436 440 HB3 TYR 56 HB1 TYR 56 0.914 9.087 -8.785 441 HD1 TYR 56 HD1 TYR 56 1.150 5.347 -8.184 442 HD2 TYR 56 HD2 TYR 56 -0.482 8.514 -10.525 443 HE1 TYR 56 HE1 TYR 56 -0.386 3.754 -9.239 444 HE2 TYR 56 HE2 TYR 56 -1.950 6.945 -11.604 445 HH TYR 56 HH TYR 56 -2.064 4.546 -12.099 446 H VAL 57 HN VAL 57 2.295 8.918 -11.292 447 HA VAL 57 HA VAL 57 3.929 11.304 -10.905 448 HB VAL 57 HB VAL 57 2.904 10.068 -13.451 449 HG11 VAL 57 HG11 VAL 57 1.952 12.159 -14.017 450 HG12 VAL 57 HG12 VAL 57 3.559 12.171 -14.722 451 HG13 VAL 57 HG13 VAL 57 3.259 13.056 -13.233 452 HG21 VAL 57 HG21 VAL 57 5.065 10.689 -14.274 453 HG22 VAL 57 HG22 VAL 57 5.238 9.916 -12.718 454 HG23 VAL 57 HG23 VAL 57 5.375 11.660 -12.853 455 H GLU 58 HN GLU 58 0.391 10.731 -11.004 456 HA GLU 58 HA GLU 58 0.172 13.629 -10.973 457 HB2 GLU 58 HB2 GLU 58 -1.944 13.450 -12.415 458 HB3 GLU 58 HB1 GLU 58 -0.438 13.262 -13.191 459 HG2 GLU 58 HG2 GLU 58 -2.040 10.871 -12.381 460 HG3 GLU 58 HG1 GLU 58 -2.292 11.711 -13.905 461 H VAL 59 HN VAL 59 -1.222 14.549 -9.273 462 HA VAL 59 HA VAL 59 -1.847 12.627 -7.328 463 HB VAL 59 HB VAL 59 -1.670 14.151 -5.864 464 HG11 VAL 59 HG11 VAL 59 -0.021 15.227 -7.204 465 HG12 VAL 59 HG12 VAL 59 -0.839 16.353 -6.140 466 HG13 VAL 59 HG13 VAL 59 -1.252 16.321 -7.846 467 HG21 VAL 59 HG21 VAL 59 -2.938 16.094 -5.328 468 HG22 VAL 59 HG22 VAL 59 -4.033 14.800 -5.781 469 HG23 VAL 59 HG23 VAL 59 -3.675 16.110 -6.916 470 H ASP 60 HN ASP 60 -4.142 14.192 -9.627 471 HA ASP 60 HA ASP 60 -6.562 13.329 -8.454 472 HB2 ASP 60 HB2 ASP 60 -6.187 13.500 -11.452 473 HB3 ASP 60 HB1 ASP 60 -7.638 13.828 -10.492 474 H ASP 61 HN ASP 61 -4.730 11.555 -11.049 475 HA ASP 61 HA ASP 61 -6.359 9.300 -11.037 476 HB2 ASP 61 HB2 ASP 61 -3.500 9.542 -12.012 477 HB3 ASP 61 HB1 ASP 61 -4.534 8.138 -12.312 478 H ALA 62 HN ALA 62 -3.350 9.707 -9.096 479 HA ALA 62 HA ALA 62 -3.078 7.328 -7.830 480 HB1 ALA 62 HB1 ALA 62 -1.686 9.271 -7.256 481 HB2 ALA 62 HB2 ALA 62 -2.301 8.479 -5.832 482 HB3 ALA 62 HB3 ALA 62 -3.028 9.960 -6.373 483 H LYS 63 HN LYS 63 -5.010 9.865 -6.392 484 HA LYS 63 HA LYS 63 -6.469 8.660 -4.439 485 HB2 LYS 63 HB2 LYS 63 -6.677 11.076 -5.897 486 HB3 LYS 63 HB1 LYS 63 -8.284 10.393 -5.869 487 HG2 LYS 63 HG2 LYS 63 -8.612 10.955 -3.737 488 HG3 LYS 63 HG1 LYS 63 -7.059 10.309 -3.217 489 HD2 LYS 63 HD2 LYS 63 -5.944 12.382 -3.805 490 HD3 LYS 63 HD1 LYS 63 -7.423 13.016 -4.543 491 HE2 LYS 63 HE2 LYS 63 -7.280 12.229 -1.652 492 HE3 LYS 63 HE1 LYS 63 -6.842 13.841 -2.218 493 HZ1 LYS 63 HZ1 LYS 63 -9.079 13.968 -3.244 494 HZ2 LYS 63 HZ2 LYS 63 -9.108 13.879 -1.558 495 HZ3 LYS 63 HZ3 LYS 63 -9.482 12.510 -2.478 496 H HIS 64 HN HIS 64 -7.796 8.769 -7.828 497 HA HIS 64 HA HIS 64 -9.910 7.068 -7.121 498 HB2 HIS 64 HB2 HIS 64 -9.392 8.582 -9.397 499 HB3 HIS 64 HB1 HIS 64 -9.565 6.928 -9.965 500 HD1 HIS 64 HD1 HIS 64 -11.699 5.740 -8.344 501 HD2 HIS 64 HD2 HIS 64 -11.847 9.710 -9.580 502 HE1 HIS 64 HE1 HIS 64 -14.113 6.415 -8.174 503 HE2 HIS 64 HE2 HIS 64 -14.175 8.833 -8.853 504 H ALA 65 HN ALA 65 -6.698 6.124 -8.500 505 HA ALA 65 HA ALA 65 -7.424 3.449 -8.952 506 HB1 ALA 65 HB1 ALA 65 -5.394 4.168 -9.954 507 HB2 ALA 65 HB2 ALA 65 -5.008 2.843 -8.870 508 HB3 ALA 65 HB3 ALA 65 -4.630 4.497 -8.409 509 H LEU 66 HN LEU 66 -6.101 4.741 -5.799 510 HA LEU 66 HA LEU 66 -6.025 2.190 -4.699 511 HB2 LEU 66 HB2 LEU 66 -4.820 3.068 -3.085 512 HB3 LEU 66 HB1 LEU 66 -5.092 4.642 -3.718 513 HG LEU 66 HG LEU 66 -7.068 4.813 -1.991 514 HD11 LEU 66 HD11 LEU 66 -5.599 2.564 -0.660 515 HD12 LEU 66 HD12 LEU 66 -7.113 2.321 -1.514 516 HD13 LEU 66 HD13 LEU 66 -7.050 3.384 -0.106 517 HD21 LEU 66 HD21 LEU 66 -5.355 6.131 -1.202 518 HD22 LEU 66 HD22 LEU 66 -4.162 4.862 -1.375 519 HD23 LEU 66 HD23 LEU 66 -5.261 4.837 -0.001 520 H TYR 67 HN TYR 67 -8.897 4.383 -4.615 521 HA TYR 67 HA TYR 67 -10.425 2.685 -2.996 522 HB2 TYR 67 HB2 TYR 67 -10.944 5.070 -3.921 523 HB3 TYR 67 HB1 TYR 67 -11.678 4.198 -5.263 524 HD1 TYR 67 HD1 TYR 67 -13.709 2.839 -4.886 525 HD2 TYR 67 HD2 TYR 67 -11.936 5.094 -1.725 526 HE1 TYR 67 HE1 TYR 67 -15.738 2.549 -3.534 527 HE2 TYR 67 HE2 TYR 67 -13.962 4.787 -0.371 528 HH TYR 67 HH TYR 67 -16.352 4.292 -0.687 529 H ASN 68 HN ASN 68 -10.013 2.477 -6.548 530 HA ASN 68 HA ASN 68 -11.656 0.176 -6.807 531 HB2 ASN 68 HB2 ASN 68 -10.971 1.684 -8.765 532 HB3 ASN 68 HB1 ASN 68 -9.425 0.828 -8.801 533 HD21 ASN 68 HD21 ASN 68 -9.310 -1.191 -9.646 534 HD22 ASN 68 HD22 ASN 68 -10.617 -1.914 -10.510 535 H MET 69 HN MET 69 -8.589 0.225 -5.238 536 HA MET 69 HA MET 69 -7.823 -2.333 -6.466 537 HB2 MET 69 HB2 MET 69 -6.226 -0.022 -5.513 538 HB3 MET 69 HB1 MET 69 -5.525 -1.616 -5.251 539 HG2 MET 69 HG2 MET 69 -5.298 -2.046 -7.492 540 HG3 MET 69 HG1 MET 69 -6.652 -1.032 -7.953 541 HE1 MET 69 HE1 MET 69 -4.049 -1.109 -9.632 542 HE2 MET 69 HE2 MET 69 -3.789 0.606 -9.932 543 HE3 MET 69 HE3 MET 69 -5.424 -0.051 -9.977 544 H ASN 70 HN ASN 70 -9.568 -1.703 -3.845 545 HA ASN 70 HA ASN 70 -8.265 -3.393 -1.917 546 HB2 ASN 70 HB2 ASN 70 -10.712 -3.265 -0.886 547 HB3 ASN 70 HB1 ASN 70 -9.612 -1.909 -0.759 548 HD21 ASN 70 HD21 ASN 70 -11.053 -0.324 -0.584 549 HD22 ASN 70 HD22 ASN 70 -12.196 0.132 -1.798 550 H ASN 71 HN ASN 71 -11.065 -3.834 -4.143 551 HA ASN 71 HA ASN 71 -11.173 -6.643 -3.431 552 HB2 ASN 71 HB2 ASN 71 -13.145 -6.766 -4.857 553 HB3 ASN 71 HB1 ASN 71 -13.269 -5.453 -3.693 554 HD21 ASN 71 HD21 ASN 71 -13.439 -3.335 -4.429 555 HD22 ASN 71 HD22 ASN 71 -13.660 -2.960 -6.103 556 H PHE 72 HN PHE 72 -8.836 -5.536 -5.032 557 HA PHE 72 HA PHE 72 -9.168 -7.093 -7.505 558 HB2 PHE 72 HB2 PHE 72 -8.807 -4.827 -8.123 559 HB3 PHE 72 HB1 PHE 72 -7.609 -4.588 -6.880 560 HD1 PHE 72 HD2 PHE 72 -8.203 -6.213 -10.155 561 HD2 PHE 72 HD1 PHE 72 -5.308 -4.819 -7.356 562 HE1 PHE 72 HE2 PHE 72 -6.429 -6.467 -11.866 563 HE2 PHE 72 HE1 PHE 72 -3.537 -5.081 -9.045 564 HZ PHE 72 HZ PHE 72 -4.101 -5.906 -11.297 565 H GLU 73 HN GLU 73 -7.299 -8.543 -8.129 566 HA GLU 73 HA GLU 73 -5.714 -9.296 -5.826 567 HB2 GLU 73 HB2 GLU 73 -6.648 -11.360 -5.581 568 HB3 GLU 73 HB1 GLU 73 -7.972 -10.733 -6.495 569 HG2 GLU 73 HG2 GLU 73 -6.883 -11.767 -8.529 570 HG3 GLU 73 HG1 GLU 73 -5.742 -12.477 -7.408 571 H LEU 74 HN LEU 74 -3.443 -9.647 -6.369 572 HA LEU 74 HA LEU 74 -2.829 -9.321 -9.210 573 HB2 LEU 74 HB2 LEU 74 -1.818 -7.812 -7.233 574 HB3 LEU 74 HB1 LEU 74 -0.655 -9.130 -7.083 575 HG LEU 74 HG LEU 74 -0.541 -8.691 -9.780 576 HD11 LEU 74 HD11 LEU 74 -2.053 -6.819 -9.731 577 HD12 LEU 74 HD12 LEU 74 -0.436 -6.267 -10.157 578 HD13 LEU 74 HD13 LEU 74 -1.054 -6.002 -8.528 579 HD21 LEU 74 HD21 LEU 74 1.170 -7.151 -7.783 580 HD22 LEU 74 HD22 LEU 74 1.548 -7.465 -9.474 581 HD23 LEU 74 HD23 LEU 74 1.480 -8.804 -8.331 582 H ASN 75 HN ASN 75 -2.347 -11.329 -10.302 583 HA ASN 75 HA ASN 75 -1.782 -13.563 -10.592 584 HB2 ASN 75 HB2 ASN 75 0.559 -12.673 -8.788 585 HB3 ASN 75 HB1 ASN 75 0.494 -14.242 -9.587 586 HD21 ASN 75 HD21 ASN 75 2.602 -13.673 -10.696 587 HD22 ASN 75 HD22 ASN 75 2.553 -12.577 -12.040 588 H GLY 76 HN GLY 76 -3.865 -13.609 -8.953 589 HA2 GLY 76 HA2 GLY 76 -5.066 -14.899 -7.542 590 HA3 GLY 76 HA1 GLY 76 -3.743 -16.014 -7.613 591 H LYS 77 HN LYS 77 -3.357 -12.820 -6.217 592 HA LYS 77 HA LYS 77 -3.405 -13.967 -3.562 593 HB2 LYS 77 HB2 LYS 77 -1.089 -14.104 -3.936 594 HB3 LYS 77 HB1 LYS 77 -1.014 -12.641 -4.873 595 HG2 LYS 77 HG2 LYS 77 -0.466 -11.420 -3.146 596 HG3 LYS 77 HG1 LYS 77 -1.726 -12.057 -2.105 597 HD2 LYS 77 HD2 LYS 77 0.943 -13.365 -2.710 598 HD3 LYS 77 HD1 LYS 77 0.556 -12.511 -1.226 599 HE2 LYS 77 HE2 LYS 77 -1.024 -14.271 -0.587 600 HE3 LYS 77 HE1 LYS 77 -0.779 -15.091 -2.131 601 HZ1 LYS 77 HZ1 LYS 77 1.489 -15.508 -1.544 602 HZ2 LYS 77 HZ2 LYS 77 0.490 -16.062 -0.295 603 HZ3 LYS 77 HZ3 LYS 77 1.338 -14.610 -0.120 604 H ARG 78 HN ARG 78 -3.876 -12.360 -1.835 605 HA ARG 78 HA ARG 78 -5.319 -10.054 -2.896 606 HB2 ARG 78 HB2 ARG 78 -6.446 -11.363 -1.034 607 HB3 ARG 78 HB1 ARG 78 -5.153 -10.894 0.067 608 HG2 ARG 78 HG2 ARG 78 -6.899 -9.518 0.646 609 HG3 ARG 78 HG1 ARG 78 -5.921 -8.469 -0.376 610 HD2 ARG 78 HD2 ARG 78 -8.124 -8.100 -1.092 611 HD3 ARG 78 HD1 ARG 78 -7.497 -9.239 -2.275 612 HE ARG 78 HE ARG 78 -8.634 -10.981 -0.792 613 HH11 ARG 78 HH11 ARG 78 -9.878 -7.722 -1.278 614 HH12 ARG 78 HH12 ARG 78 -11.523 -8.187 -1.005 615 HH21 ARG 78 HH21 ARG 78 -10.818 -11.566 -0.426 616 HH22 ARG 78 HH22 ARG 78 -12.057 -10.356 -0.526 617 H ILE 79 HN ILE 79 -4.589 -7.795 -2.576 618 HA ILE 79 HA ILE 79 -2.115 -7.498 -0.946 619 HB ILE 79 HB ILE 79 -1.397 -5.516 -2.224 620 HG12 ILE 79 HG12 ILE 79 -3.390 -4.551 -3.294 621 HG13 ILE 79 HG11 ILE 79 -2.101 -4.840 -4.443 622 HG21 ILE 79 HG21 ILE 79 -1.416 -8.073 -3.693 623 HG22 ILE 79 HG22 ILE 79 -0.077 -7.062 -3.143 624 HG23 ILE 79 HG23 ILE 79 -0.971 -6.627 -4.580 625 HD11 ILE 79 HD11 ILE 79 -4.634 -6.404 -4.166 626 HD12 ILE 79 HD12 ILE 79 -3.265 -6.894 -5.161 627 HD13 ILE 79 HD13 ILE 79 -4.105 -5.386 -5.502 628 H HIS 80 HN HIS 80 -2.268 -6.277 0.785 629 HA HIS 80 HA HIS 80 -4.702 -4.680 1.172 630 HB2 HIS 80 HB2 HIS 80 -3.821 -5.660 3.202 631 HB3 HIS 80 HB1 HIS 80 -2.235 -4.973 2.973 632 HD1 HIS 80 HD1 HIS 80 -5.725 -3.942 4.027 633 HD2 HIS 80 HD2 HIS 80 -1.849 -2.461 3.953 634 HE1 HIS 80 HE1 HIS 80 -5.778 -1.864 5.434 635 HE2 HIS 80 HE2 HIS 80 -3.461 -0.899 5.211 636 H VAL 81 HN VAL 81 -4.993 -2.555 0.398 637 HA VAL 81 HA VAL 81 -2.571 -1.140 -0.384 638 HB VAL 81 HB VAL 81 -5.379 -0.875 -1.543 639 HG11 VAL 81 HG11 VAL 81 -4.521 0.503 -3.314 640 HG12 VAL 81 HG12 VAL 81 -2.946 0.567 -2.571 641 HG13 VAL 81 HG13 VAL 81 -4.332 1.290 -1.764 642 HG21 VAL 81 HG21 VAL 81 -2.915 -2.146 -2.712 643 HG22 VAL 81 HG22 VAL 81 -4.270 -1.649 -3.671 644 HG23 VAL 81 HG23 VAL 81 -4.498 -2.874 -2.437 645 H ASN 82 HN ASN 82 -1.947 0.794 0.826 646 HA ASN 82 HA ASN 82 -4.134 2.360 2.084 647 HB2 ASN 82 HB2 ASN 82 -3.482 0.498 3.722 648 HB3 ASN 82 HB1 ASN 82 -1.944 1.340 3.942 649 HD21 ASN 82 HD21 ASN 82 -5.402 1.551 4.211 650 HD22 ASN 82 HD22 ASN 82 -5.443 2.771 5.438 651 H TYR 83 HN TYR 83 -2.847 4.293 3.572 652 HA TYR 83 HA TYR 83 -1.123 5.472 1.513 653 HB2 TYR 83 HB2 TYR 83 -2.893 7.014 1.784 654 HB3 TYR 83 HB1 TYR 83 -2.992 6.747 3.530 655 HD1 TYR 83 HD1 TYR 83 -0.816 8.366 0.884 656 HD2 TYR 83 HD2 TYR 83 -2.067 8.356 4.972 657 HE1 TYR 83 HE1 TYR 83 0.370 10.463 1.259 658 HE2 TYR 83 HE2 TYR 83 -0.874 10.475 5.326 659 HH TYR 83 HH TYR 83 0.475 12.281 2.675 660 H SER 84 HN SER 84 0.907 7.029 2.447 661 HA SER 84 HA SER 84 2.016 5.692 4.817 662 HB2 SER 84 HB2 SER 84 3.562 5.856 2.196 663 HB3 SER 84 HB1 SER 84 4.220 5.333 3.736 664 HG SER 84 HG SER 84 3.495 3.636 2.228 665 H LYS 85 HN LYS 85 4.293 6.735 5.291 666 HA LYS 85 HA LYS 85 4.031 9.686 4.917 667 HB2 LYS 85 HB2 LYS 85 5.483 8.413 7.318 668 HB3 LYS 85 HB1 LYS 85 5.011 10.079 7.112 669 HG2 LYS 85 HG2 LYS 85 2.886 7.917 7.407 670 HG3 LYS 85 HG1 LYS 85 3.628 8.712 8.789 671 HD2 LYS 85 HD2 LYS 85 2.749 10.846 8.182 672 HD3 LYS 85 HD1 LYS 85 2.215 10.290 6.601 673 HE2 LYS 85 HE2 LYS 85 0.345 10.504 8.100 674 HE3 LYS 85 HE1 LYS 85 0.581 8.808 7.694 675 HZ1 LYS 85 HZ1 LYS 85 1.766 8.558 9.825 676 HZ2 LYS 85 HZ2 LYS 85 0.158 9.043 10.032 677 HZ3 LYS 85 HZ3 LYS 85 1.408 10.166 10.201 678 H THR 86 HN THR 86 6.222 10.887 4.517 679 HA THR 86 HA THR 86 8.174 9.016 3.376 680 HB THR 86 HB THR 86 8.328 10.945 1.538 681 HG1 THR 86 HG1 THR 86 6.545 12.118 1.272 682 HG21 THR 86 HG21 THR 86 7.882 8.752 0.741 683 HG22 THR 86 HG22 THR 86 6.572 9.760 0.114 684 HG23 THR 86 HG23 THR 86 6.286 8.710 1.498 Start of MODEL 6 1 H1 GLY -2 HT1 GLY -2 -12.876 4.755 6.009 2 H2 GLY -2 HT2 GLY -2 -13.469 4.821 4.429 3 H3 GLY -2 HT3 GLY -2 -12.403 6.014 4.980 4 HA2 GLY -2 HA1 GLY -2 -11.243 4.444 3.543 5 HA3 GLY -2 HA2 GLY -2 -10.629 4.393 5.189 6 H SER -1 HN SER -1 -10.047 2.253 3.707 7 HA SER -1 HA SER -1 -11.901 0.200 4.732 8 HB2 SER -1 HB2 SER -1 -10.312 0.125 2.154 9 HB3 SER -1 HB1 SER -1 -11.287 -1.207 2.769 10 HG SER -1 HG SER -1 -13.120 0.168 2.581 11 H HIS 0 HN HIS 0 -11.046 -1.509 5.773 12 HA HIS 0 HA HIS 0 -9.690 -2.767 7.026 13 HB2 HIS 0 HB2 HIS 0 -8.049 -2.410 4.624 14 HB3 HIS 0 HB1 HIS 0 -7.102 -2.722 6.075 15 HD1 HIS 0 HD1 HIS 0 -7.266 -5.038 7.118 16 HD2 HIS 0 HD2 HIS 0 -9.769 -4.516 3.846 17 HE1 HIS 0 HE1 HIS 0 -8.073 -7.330 6.517 18 HE2 HIS 0 HE2 HIS 0 -9.820 -6.934 4.756 19 H MET 1 HN MET 1 -6.987 -0.607 6.247 20 HA MET 1 HA MET 1 -7.154 0.514 8.946 21 HB2 MET 1 HB2 MET 1 -5.277 -1.555 8.157 22 HB3 MET 1 HB1 MET 1 -4.388 -0.064 8.417 23 HG2 MET 1 HG2 MET 1 -5.935 -1.711 10.412 24 HG3 MET 1 HG1 MET 1 -4.260 -1.180 10.440 25 HE1 MET 1 HE1 MET 1 -5.755 0.605 13.571 26 HE2 MET 1 HE2 MET 1 -4.417 -0.372 12.971 27 HE3 MET 1 HE3 MET 1 -6.055 -1.022 12.959 28 H SER 2 HN SER 2 -7.875 2.307 7.475 29 HA SER 2 HA SER 2 -5.658 4.068 6.947 30 HB2 SER 2 HB2 SER 2 -5.727 2.584 4.906 31 HB3 SER 2 HB1 SER 2 -7.347 3.193 4.540 32 HG SER 2 HG SER 2 -4.909 4.679 4.682 33 H ASP 3 HN ASP 3 -6.475 5.879 8.014 34 HA ASP 3 HA ASP 3 -9.301 6.559 7.515 35 HB2 ASP 3 HB2 ASP 3 -8.877 8.224 9.385 36 HB3 ASP 3 HB1 ASP 3 -8.799 6.521 9.817 37 H ASN 4 HN ASN 4 -7.231 7.097 5.375 38 HA ASN 4 HA ASN 4 -7.736 9.919 5.046 39 HB2 ASN 4 HB2 ASN 4 -5.205 10.333 4.521 40 HB3 ASN 4 HB1 ASN 4 -5.793 10.442 6.169 41 HD21 ASN 4 HD21 ASN 4 -5.202 7.371 4.499 42 HD22 ASN 4 HD22 ASN 4 -3.842 6.934 5.469 43 H ASN 5 HN ASN 5 -7.278 10.801 3.013 44 HA ASN 5 HA ASN 5 -8.257 8.989 1.038 45 HB2 ASN 5 HB2 ASN 5 -8.072 11.881 1.356 46 HB3 ASN 5 HB1 ASN 5 -7.820 11.368 -0.308 47 HD21 ASN 5 HD21 ASN 5 -9.487 10.398 -1.435 48 HD22 ASN 5 HD22 ASN 5 -11.124 10.436 -0.877 49 H ALA 6 HN ALA 6 -4.961 10.042 1.542 50 HA ALA 6 HA ALA 6 -3.024 9.698 0.466 51 HB1 ALA 6 HB1 ALA 6 -4.383 7.993 -1.597 52 HB2 ALA 6 HB2 ALA 6 -3.998 7.402 0.015 53 HB3 ALA 6 HB3 ALA 6 -2.707 7.937 -1.056 54 H THR 7 HN THR 7 -2.654 11.857 -0.267 55 HA THR 7 HA THR 7 -2.878 11.905 -3.211 56 HB THR 7 HB THR 7 -3.336 14.050 -2.270 57 HG1 THR 7 HG1 THR 7 -0.705 14.314 -3.296 58 HG21 THR 7 HG21 THR 7 -0.638 13.916 -0.930 59 HG22 THR 7 HG22 THR 7 -2.213 13.991 -0.134 60 HG23 THR 7 HG23 THR 7 -1.621 15.371 -1.057 61 H ASP 8 HN ASP 8 -1.195 11.323 -4.485 62 HA ASP 8 HA ASP 8 0.700 10.676 -5.395 63 HB2 ASP 8 HB2 ASP 8 2.323 12.398 -5.337 64 HB3 ASP 8 HB1 ASP 8 0.926 13.184 -4.705 65 H ILE 9 HN ILE 9 0.036 9.229 -2.657 66 HA ILE 9 HA ILE 9 2.522 7.765 -2.374 67 HB ILE 9 HB ILE 9 1.218 8.920 0.123 68 HG12 ILE 9 HG12 ILE 9 3.984 9.555 -0.891 69 HG13 ILE 9 HG11 ILE 9 2.633 10.411 -1.496 70 HG21 ILE 9 HG21 ILE 9 3.772 7.352 -0.102 71 HG22 ILE 9 HG22 ILE 9 2.202 6.624 0.230 72 HG23 ILE 9 HG23 ILE 9 2.870 7.782 1.348 73 HD11 ILE 9 HD11 ILE 9 2.129 11.253 0.756 74 HD12 ILE 9 HD12 ILE 9 3.731 11.701 0.188 75 HD13 ILE 9 HD13 ILE 9 3.557 10.415 1.367 76 H LEU 10 HN LEU 10 2.119 5.633 -2.622 77 HA LEU 10 HA LEU 10 -0.566 4.631 -1.812 78 HB2 LEU 10 HB2 LEU 10 0.684 4.878 -4.496 79 HB3 LEU 10 HB1 LEU 10 -0.063 3.325 -4.186 80 HG LEU 10 HG LEU 10 -1.339 5.187 -5.496 81 HD11 LEU 10 HD11 LEU 10 -2.542 3.456 -3.449 82 HD12 LEU 10 HD12 LEU 10 -2.212 3.130 -5.159 83 HD13 LEU 10 HD13 LEU 10 -3.432 4.311 -4.708 84 HD21 LEU 10 HD21 LEU 10 -2.437 6.075 -2.799 85 HD22 LEU 10 HD22 LEU 10 -2.750 6.742 -4.375 86 HD23 LEU 10 HD23 LEU 10 -1.202 7.019 -3.629 87 H PHE 11 HN PHE 11 -0.054 2.756 -0.302 88 HA PHE 11 HA PHE 11 2.494 1.437 -0.901 89 HB2 PHE 11 HB2 PHE 11 2.745 2.519 1.198 90 HB3 PHE 11 HB1 PHE 11 1.135 2.154 1.720 91 HD1 PHE 11 HD1 PHE 11 0.743 -0.328 2.622 92 HD2 PHE 11 HD2 PHE 11 4.587 1.512 2.067 93 HE1 PHE 11 HE1 PHE 11 1.702 -1.743 4.374 94 HE2 PHE 11 HE2 PHE 11 5.519 0.066 3.772 95 HZ PHE 11 HZ PHE 11 4.092 -1.580 4.928 96 H VAL 12 HN VAL 12 2.290 -0.423 -2.084 97 HA VAL 12 HA VAL 12 0.054 -2.317 -1.644 98 HB VAL 12 HB VAL 12 2.181 -2.388 -3.846 99 HG11 VAL 12 HG11 VAL 12 0.902 -4.088 -5.056 100 HG12 VAL 12 HG12 VAL 12 -0.211 -4.230 -3.706 101 HG13 VAL 12 HG13 VAL 12 1.486 -4.690 -3.511 102 HG21 VAL 12 HG21 VAL 12 0.382 -0.566 -4.143 103 HG22 VAL 12 HG22 VAL 12 -0.692 -1.918 -4.478 104 HG23 VAL 12 HG23 VAL 12 0.708 -1.656 -5.476 105 H GLY 13 HN GLY 13 0.544 -3.929 0.107 106 HA2 GLY 13 HA2 GLY 13 3.195 -5.220 -0.034 107 HA3 GLY 13 HA1 GLY 13 2.442 -4.772 1.495 108 H GLY 14 HN GLY 14 3.185 -7.468 0.536 109 HA2 GLY 14 HA2 GLY 14 2.145 -9.541 0.766 110 HA3 GLY 14 HA1 GLY 14 0.621 -8.751 0.831 111 H ILE 15 HN ILE 15 3.292 -9.266 -1.471 112 HA ILE 15 HA ILE 15 1.237 -9.634 -3.516 113 HB ILE 15 HB ILE 15 3.927 -9.065 -4.600 114 HG12 ILE 15 HG12 ILE 15 2.547 -6.580 -4.246 115 HG13 ILE 15 HG11 ILE 15 2.914 -7.219 -2.658 116 HG21 ILE 15 HG21 ILE 15 2.574 -7.868 -6.205 117 HG22 ILE 15 HG22 ILE 15 1.187 -7.910 -5.110 118 HG23 ILE 15 HG23 ILE 15 1.781 -9.406 -5.853 119 HD11 ILE 15 HD11 ILE 15 5.215 -7.396 -4.356 120 HD12 ILE 15 HD12 ILE 15 4.994 -6.504 -2.870 121 HD13 ILE 15 HD13 ILE 15 4.553 -5.774 -4.398 122 H ASP 16 HN ASP 16 1.935 -11.280 -5.332 123 HA ASP 16 HA ASP 16 2.525 -13.736 -3.953 124 HB2 ASP 16 HB2 ASP 16 1.061 -14.402 -5.455 125 HB3 ASP 16 HB1 ASP 16 1.148 -12.923 -6.357 126 H GLU 17 HN GLU 17 4.166 -15.401 -4.850 127 HA GLU 17 HA GLU 17 6.615 -13.863 -4.662 128 HB2 GLU 17 HB2 GLU 17 7.804 -15.979 -4.101 129 HB3 GLU 17 HB1 GLU 17 6.376 -15.759 -3.100 130 HG2 GLU 17 HG2 GLU 17 5.219 -17.383 -4.698 131 HG3 GLU 17 HG1 GLU 17 6.836 -17.727 -5.316 132 H THR 18 HN THR 18 5.189 -14.720 -7.620 133 HA THR 18 HA THR 18 7.929 -14.801 -8.695 134 HB THR 18 HB THR 18 6.679 -16.772 -9.543 135 HG1 THR 18 HG1 THR 18 7.231 -16.346 -11.808 136 HG21 THR 18 HG21 THR 18 4.992 -14.790 -11.138 137 HG22 THR 18 HG22 THR 18 4.392 -15.977 -9.977 138 HG23 THR 18 HG23 THR 18 5.128 -16.512 -11.473 139 H ILE 19 HN ILE 19 6.176 -12.281 -7.948 140 HA ILE 19 HA ILE 19 6.579 -10.877 -10.480 141 HB ILE 19 HB ILE 19 5.546 -8.852 -9.680 142 HG12 ILE 19 HG12 ILE 19 5.906 -8.168 -7.496 143 HG13 ILE 19 HG11 ILE 19 4.367 -8.965 -7.199 144 HG21 ILE 19 HG21 ILE 19 3.863 -10.250 -10.412 145 HG22 ILE 19 HG22 ILE 19 3.274 -9.620 -8.883 146 HG23 ILE 19 HG23 ILE 19 3.920 -11.251 -8.971 147 HD11 ILE 19 HD11 ILE 19 5.648 -10.957 -6.470 148 HD12 ILE 19 HD12 ILE 19 5.878 -9.517 -5.478 149 HD13 ILE 19 HD13 ILE 19 7.130 -10.001 -6.634 150 H ASP 20 HN ASP 20 7.841 -8.883 -10.582 151 HA ASP 20 HA ASP 20 10.004 -8.731 -8.612 152 HB2 ASP 20 HB2 ASP 20 10.473 -10.088 -10.795 153 HB3 ASP 20 HB1 ASP 20 10.610 -8.542 -11.568 154 H GLU 21 HN GLU 21 11.435 -6.660 -9.351 155 HA GLU 21 HA GLU 21 10.024 -4.312 -8.952 156 HB2 GLU 21 HB2 GLU 21 12.587 -4.634 -8.876 157 HB3 GLU 21 HB1 GLU 21 12.583 -4.340 -10.594 158 HG2 GLU 21 HG2 GLU 21 11.511 -2.275 -8.706 159 HG3 GLU 21 HG1 GLU 21 13.226 -2.445 -9.014 160 H LYS 22 HN LYS 22 11.056 -5.260 -12.291 161 HA LYS 22 HA LYS 22 9.774 -3.018 -13.399 162 HB2 LYS 22 HB2 LYS 22 10.279 -3.732 -15.564 163 HB3 LYS 22 HB1 LYS 22 11.634 -4.153 -14.550 164 HG2 LYS 22 HG2 LYS 22 9.527 -6.099 -15.536 165 HG3 LYS 22 HG1 LYS 22 11.067 -5.802 -16.324 166 HD2 LYS 22 HD2 LYS 22 10.716 -6.989 -13.542 167 HD3 LYS 22 HD1 LYS 22 11.104 -7.876 -15.011 168 HE2 LYS 22 HE2 LYS 22 12.836 -5.778 -13.690 169 HE3 LYS 22 HE1 LYS 22 13.117 -7.513 -13.698 170 HZ1 LYS 22 HZ1 LYS 22 14.482 -6.352 -15.315 171 HZ2 LYS 22 HZ2 LYS 22 13.098 -5.778 -16.098 172 HZ3 LYS 22 HZ3 LYS 22 13.427 -7.439 -16.072 173 H SER 23 HN SER 23 8.546 -6.278 -13.004 174 HA SER 23 HA SER 23 6.221 -6.100 -14.523 175 HB2 SER 23 HB2 SER 23 5.650 -7.855 -12.345 176 HB3 SER 23 HB1 SER 23 6.302 -8.261 -13.939 177 HG SER 23 HG SER 23 7.851 -7.455 -11.704 178 H LEU 24 HN LEU 24 6.697 -4.893 -11.145 179 HA LEU 24 HA LEU 24 3.852 -4.367 -10.912 180 HB2 LEU 24 HB2 LEU 24 6.107 -3.890 -8.980 181 HB3 LEU 24 HB1 LEU 24 4.506 -3.236 -8.727 182 HG LEU 24 HG LEU 24 4.961 -6.168 -9.212 183 HD11 LEU 24 HD11 LEU 24 6.291 -5.753 -7.257 184 HD12 LEU 24 HD12 LEU 24 4.756 -6.444 -6.723 185 HD13 LEU 24 HD13 LEU 24 5.042 -4.715 -6.572 186 HD21 LEU 24 HD21 LEU 24 2.653 -5.363 -9.434 187 HD22 LEU 24 HD22 LEU 24 2.735 -4.705 -7.808 188 HD23 LEU 24 HD23 LEU 24 2.834 -6.434 -8.059 189 H TYR 25 HN TYR 25 6.430 -2.742 -12.295 190 HA TYR 25 HA TYR 25 5.396 -0.045 -12.222 191 HB2 TYR 25 HB2 TYR 25 7.825 -0.510 -12.958 192 HB3 TYR 25 HB1 TYR 25 7.233 -1.174 -14.455 193 HD1 TYR 25 HD2 TYR 25 5.303 1.185 -15.259 194 HD2 TYR 25 HD1 TYR 25 9.281 1.077 -13.640 195 HE1 TYR 25 HE2 TYR 25 5.767 3.358 -16.258 196 HE2 TYR 25 HE1 TYR 25 9.728 3.257 -14.670 197 HH TYR 25 HH TYR 25 7.455 5.328 -15.694 198 H ASP 26 HN ASP 26 5.389 -2.416 -15.001 199 HA ASP 26 HA ASP 26 3.619 -1.028 -16.597 200 HB2 ASP 26 HB2 ASP 26 4.908 -3.666 -16.761 201 HB3 ASP 26 HB1 ASP 26 3.486 -3.407 -17.748 202 H ILE 27 HN ILE 27 2.551 -3.560 -14.262 203 HA ILE 27 HA ILE 27 -0.024 -3.588 -15.388 204 HB ILE 27 HB ILE 27 0.532 -4.537 -12.516 205 HG12 ILE 27 HG12 ILE 27 0.274 -6.688 -14.499 206 HG13 ILE 27 HG11 ILE 27 1.658 -5.710 -14.911 207 HG21 ILE 27 HG21 ILE 27 -1.435 -5.906 -12.826 208 HG22 ILE 27 HG22 ILE 27 -1.589 -5.352 -14.490 209 HG23 ILE 27 HG23 ILE 27 -1.814 -4.230 -13.164 210 HD11 ILE 27 HD11 ILE 27 2.236 -7.696 -13.624 211 HD12 ILE 27 HD12 ILE 27 1.250 -7.162 -12.275 212 HD13 ILE 27 HD13 ILE 27 2.681 -6.236 -12.751 213 H PHE 28 HN PHE 28 1.216 -1.530 -12.596 214 HA PHE 28 HA PHE 28 -1.329 -0.179 -12.462 215 HB2 PHE 28 HB2 PHE 28 1.316 0.189 -11.139 216 HB3 PHE 28 HB1 PHE 28 0.054 1.401 -10.995 217 HD1 PHE 28 HD1 PHE 28 0.436 -2.288 -10.556 218 HD2 PHE 28 HD2 PHE 28 -1.148 1.404 -9.164 219 HE1 PHE 28 HE1 PHE 28 -0.444 -3.432 -8.589 220 HE2 PHE 28 HE2 PHE 28 -2.058 0.287 -7.164 221 HZ PHE 28 HZ PHE 28 -1.717 -2.157 -6.875 222 H SER 29 HN SER 29 1.207 0.164 -14.825 223 HA SER 29 HA SER 29 1.164 3.063 -14.781 224 HB2 SER 29 HB2 SER 29 2.565 2.884 -16.913 225 HB3 SER 29 HB1 SER 29 3.351 2.382 -15.430 226 HG SER 29 HG SER 29 1.942 0.543 -17.097 227 H SER 30 HN SER 30 -1.016 0.866 -15.880 228 HA SER 30 HA SER 30 -1.704 1.807 -18.464 229 HB2 SER 30 HB2 SER 30 -3.918 0.637 -18.030 230 HB3 SER 30 HB1 SER 30 -2.496 -0.385 -17.809 231 HG SER 30 HG SER 30 -4.066 -0.539 -16.086 232 H PHE 31 HN PHE 31 -3.136 2.677 -15.228 233 HA PHE 31 HA PHE 31 -4.239 5.072 -16.432 234 HB2 PHE 31 HB2 PHE 31 -4.596 3.617 -13.911 235 HB3 PHE 31 HB1 PHE 31 -4.577 5.362 -13.711 236 HD1 PHE 31 HD1 PHE 31 -6.099 2.851 -16.050 237 HD2 PHE 31 HD2 PHE 31 -6.623 6.382 -13.726 238 HE1 PHE 31 HE1 PHE 31 -8.468 2.936 -16.716 239 HE2 PHE 31 HE2 PHE 31 -8.990 6.473 -14.393 240 HZ PHE 31 HZ PHE 31 -9.916 4.751 -15.891 241 H GLY 32 HN GLY 32 -1.552 4.285 -14.219 242 HA2 GLY 32 HA2 GLY 32 -0.709 7.118 -14.333 243 HA3 GLY 32 HA1 GLY 32 -0.732 6.179 -12.866 244 H ASP 33 HN ASP 33 1.236 7.104 -15.479 245 HA ASP 33 HA ASP 33 3.331 5.195 -15.267 246 HB2 ASP 33 HB2 ASP 33 3.715 8.131 -15.985 247 HB3 ASP 33 HB1 ASP 33 4.920 6.879 -16.138 248 H ILE 34 HN ILE 34 5.664 5.703 -14.243 249 HA ILE 34 HA ILE 34 4.968 6.032 -11.376 250 HB ILE 34 HB ILE 34 6.393 3.698 -12.725 251 HG12 ILE 34 HG12 ILE 34 4.045 3.156 -12.655 252 HG13 ILE 34 HG11 ILE 34 4.767 2.286 -11.343 253 HG21 ILE 34 HG21 ILE 34 7.786 4.186 -10.872 254 HG22 ILE 34 HG22 ILE 34 6.973 2.651 -10.670 255 HG23 ILE 34 HG23 ILE 34 6.430 4.044 -9.766 256 HD11 ILE 34 HD11 ILE 34 2.672 4.200 -11.278 257 HD12 ILE 34 HD12 ILE 34 3.960 4.713 -10.210 258 HD13 ILE 34 HD13 ILE 34 3.261 3.129 -10.012 259 H ARG 35 HN ARG 35 6.502 7.024 -9.882 260 HA ARG 35 HA ARG 35 8.787 8.416 -11.037 261 HB2 ARG 35 HB2 ARG 35 7.093 9.039 -8.766 262 HB3 ARG 35 HB1 ARG 35 8.735 8.830 -8.149 263 HG2 ARG 35 HG2 ARG 35 9.561 10.683 -9.247 264 HG3 ARG 35 HG1 ARG 35 8.328 10.695 -10.474 265 HD2 ARG 35 HD2 ARG 35 7.107 11.064 -7.911 266 HD3 ARG 35 HD1 ARG 35 8.453 12.176 -8.093 267 HE ARG 35 HE ARG 35 7.208 12.523 -10.418 268 HH11 ARG 35 HH12 ARG 35 5.901 12.372 -7.187 269 HH12 ARG 35 HH11 ARG 35 4.575 13.434 -7.528 270 HH21 ARG 35 HH21 ARG 35 5.469 13.959 -10.876 271 HH22 ARG 35 HH22 ARG 35 4.325 14.330 -9.625 272 H ASN 36 HN ASN 36 8.646 5.950 -8.304 273 HA ASN 36 HA ASN 36 11.381 5.281 -8.559 274 HB2 ASN 36 HB2 ASN 36 11.610 7.550 -7.394 275 HB3 ASN 36 HB1 ASN 36 10.725 6.870 -6.024 276 HD21 ASN 36 HD21 ASN 36 12.338 6.836 -4.440 277 HD22 ASN 36 HD22 ASN 36 13.798 5.931 -4.630 278 H ILE 37 HN ILE 37 11.805 3.287 -6.743 279 HA ILE 37 HA ILE 37 9.190 2.391 -5.840 280 HB ILE 37 HB ILE 37 10.543 1.126 -8.260 281 HG12 ILE 37 HG12 ILE 37 8.029 2.453 -7.749 282 HG13 ILE 37 HG11 ILE 37 8.867 2.170 -9.249 283 HG21 ILE 37 HG21 ILE 37 9.308 -0.943 -8.182 284 HG22 ILE 37 HG22 ILE 37 8.652 -0.550 -6.593 285 HG23 ILE 37 HG23 ILE 37 10.383 -0.814 -6.790 286 HD11 ILE 37 HD11 ILE 37 7.106 0.146 -7.903 287 HD12 ILE 37 HD12 ILE 37 7.899 0.025 -9.450 288 HD13 ILE 37 HD13 ILE 37 6.620 1.206 -9.225 289 H GLU 38 HN GLU 38 9.468 1.501 -3.905 290 HA GLU 38 HA GLU 38 12.050 0.149 -3.314 291 HB2 GLU 38 HB2 GLU 38 10.767 2.099 -1.781 292 HB3 GLU 38 HB1 GLU 38 10.238 0.643 -0.966 293 HG2 GLU 38 HG2 GLU 38 12.287 0.229 -0.081 294 HG3 GLU 38 HG1 GLU 38 13.148 1.026 -1.388 295 H VAL 39 HN VAL 39 11.833 -2.049 -3.974 296 HA VAL 39 HA VAL 39 9.821 -3.623 -2.454 297 HB VAL 39 HB VAL 39 10.558 -4.277 -5.362 298 HG11 VAL 39 HG11 VAL 39 8.500 -5.708 -3.672 299 HG12 VAL 39 HG12 VAL 39 10.154 -6.275 -3.894 300 HG13 VAL 39 HG13 VAL 39 9.074 -6.147 -5.278 301 HG21 VAL 39 HG21 VAL 39 7.951 -3.232 -4.302 302 HG22 VAL 39 HG22 VAL 39 8.049 -4.169 -5.769 303 HG23 VAL 39 HG23 VAL 39 8.890 -2.638 -5.664 304 HA PRO 40 HA PRO 40 14.041 -5.557 -1.727 305 HB2 PRO 40 HB2 PRO 40 13.305 -6.562 0.744 306 HB3 PRO 40 HB1 PRO 40 14.122 -5.006 0.510 307 HG2 PRO 40 HG2 PRO 40 11.254 -5.567 0.910 308 HG3 PRO 40 HG1 PRO 40 12.274 -4.286 1.592 309 HD2 PRO 40 HD2 PRO 40 10.645 -3.729 -0.454 310 HD3 PRO 40 HD1 PRO 40 12.259 -3.039 -0.335 311 H LEU 41 HN LEU 41 14.481 -7.800 -1.982 312 HA LEU 41 HA LEU 41 12.243 -9.676 -2.131 313 HB2 LEU 41 HB2 LEU 41 13.123 -8.290 -4.533 314 HB3 LEU 41 HB1 LEU 41 13.588 -9.947 -4.709 315 HG LEU 41 HG LEU 41 11.441 -10.575 -5.230 316 HD11 LEU 41 HD11 LEU 41 10.208 -8.577 -3.289 317 HD12 LEU 41 HD12 LEU 41 10.288 -10.321 -3.090 318 HD13 LEU 41 HD13 LEU 41 9.316 -9.638 -4.366 319 HD21 LEU 41 HD21 LEU 41 11.145 -7.603 -5.496 320 HD22 LEU 41 HD22 LEU 41 10.045 -8.787 -6.180 321 HD23 LEU 41 HD23 LEU 41 11.721 -8.733 -6.731 322 H ASN 42 HN ASN 42 13.235 -12.014 -1.899 323 HA ASN 42 HA ASN 42 16.066 -11.604 -1.096 324 HB2 ASN 42 HB2 ASN 42 14.395 -12.283 0.791 325 HB3 ASN 42 HB1 ASN 42 14.346 -13.891 0.044 326 HD21 ASN 42 HD21 ASN 42 15.216 -13.088 2.651 327 HD22 ASN 42 HD22 ASN 42 16.839 -13.647 2.804 328 H MET 43 HN MET 43 17.722 -12.857 -2.149 329 HA MET 43 HA MET 43 16.889 -14.114 -4.569 330 HB2 MET 43 HB2 MET 43 19.414 -13.172 -3.498 331 HB3 MET 43 HB1 MET 43 19.665 -14.823 -4.031 332 HG2 MET 43 HG2 MET 43 18.373 -13.644 -6.215 333 HG3 MET 43 HG1 MET 43 19.443 -12.363 -5.606 334 HE1 MET 43 HE1 MET 43 21.897 -13.865 -4.382 335 HE2 MET 43 HE2 MET 43 22.039 -12.493 -5.483 336 HE3 MET 43 HE3 MET 43 22.967 -13.962 -5.782 337 H THR 44 HN THR 44 16.708 -15.659 -1.600 338 HA THR 44 HA THR 44 17.427 -18.230 -2.721 339 HB THR 44 HB THR 44 16.596 -17.650 0.183 340 HG1 THR 44 HG1 THR 44 18.981 -18.261 0.309 341 HG21 THR 44 HG21 THR 44 16.202 -20.072 -0.533 342 HG22 THR 44 HG22 THR 44 17.349 -19.827 0.781 343 HG23 THR 44 HG23 THR 44 17.943 -20.173 -0.833 344 H THR 45 HN THR 45 14.344 -16.803 -1.296 345 HA THR 45 HA THR 45 13.023 -18.576 -3.184 346 HB THR 45 HB THR 45 12.355 -19.871 -1.525 347 HG1 THR 45 HG1 THR 45 10.395 -18.424 -2.139 348 HG21 THR 45 HG21 THR 45 12.536 -17.660 0.536 349 HG22 THR 45 HG22 THR 45 13.555 -19.093 0.350 350 HG23 THR 45 HG23 THR 45 11.894 -19.266 0.852 351 H LYS 46 HN LYS 46 13.509 -15.432 -3.058 352 HA LYS 46 HA LYS 46 12.492 -13.460 -3.529 353 HB2 LYS 46 HB2 LYS 46 12.352 -14.657 -5.686 354 HB3 LYS 46 HB1 LYS 46 10.789 -15.316 -5.232 355 HG2 LYS 46 HG2 LYS 46 9.758 -13.558 -6.065 356 HG3 LYS 46 HG1 LYS 46 10.679 -12.446 -5.088 357 HD2 LYS 46 HD2 LYS 46 11.148 -11.677 -7.227 358 HD3 LYS 46 HD1 LYS 46 12.505 -12.763 -6.982 359 HE2 LYS 46 HE2 LYS 46 11.464 -14.456 -8.350 360 HE3 LYS 46 HE1 LYS 46 9.973 -13.516 -8.447 361 HZ1 LYS 46 HZ1 LYS 46 11.250 -13.244 -10.454 362 HZ2 LYS 46 HZ2 LYS 46 12.613 -12.755 -9.582 363 HZ3 LYS 46 HZ3 LYS 46 11.240 -11.773 -9.612 364 H LYS 47 HN LYS 47 11.596 -12.635 -1.670 365 HA LYS 47 HA LYS 47 8.881 -13.280 -0.857 366 HB2 LYS 47 HB2 LYS 47 11.343 -13.749 0.918 367 HB3 LYS 47 HB1 LYS 47 9.720 -13.688 1.548 368 HG2 LYS 47 HG2 LYS 47 11.130 -15.925 0.095 369 HG3 LYS 47 HG1 LYS 47 10.101 -15.952 1.524 370 HD2 LYS 47 HD2 LYS 47 8.998 -15.378 -1.223 371 HD3 LYS 47 HD1 LYS 47 9.141 -17.010 -0.593 372 HE2 LYS 47 HE2 LYS 47 7.777 -16.180 1.400 373 HE3 LYS 47 HE1 LYS 47 7.407 -14.774 0.395 374 HZ1 LYS 47 HZ1 LYS 47 6.576 -16.327 -1.315 375 HZ2 LYS 47 HZ2 LYS 47 5.689 -16.423 0.120 376 HZ3 LYS 47 HZ3 LYS 47 6.826 -17.620 -0.257 377 H ASN 48 HN ASN 48 7.973 -11.390 0.000 378 HA ASN 48 HA ASN 48 9.759 -9.055 -0.269 379 HB2 ASN 48 HB2 ASN 48 7.674 -7.700 -0.525 380 HB3 ASN 48 HB1 ASN 48 7.852 -8.921 -1.777 381 HD21 ASN 48 HD21 ASN 48 6.578 -10.891 -1.563 382 HD22 ASN 48 HD22 ASN 48 5.111 -10.884 -0.647 383 H ARG 49 HN ARG 49 8.628 -10.891 2.213 384 HA ARG 49 HA ARG 49 7.806 -10.627 4.297 385 HB2 ARG 49 HB2 ARG 49 9.350 -8.993 5.737 386 HB3 ARG 49 HB1 ARG 49 9.903 -10.559 5.202 387 HG2 ARG 49 HG2 ARG 49 10.983 -9.333 3.237 388 HG3 ARG 49 HG1 ARG 49 10.690 -7.842 4.155 389 HD2 ARG 49 HD2 ARG 49 12.027 -8.811 6.023 390 HD3 ARG 49 HD1 ARG 49 12.338 -10.237 5.042 391 HE ARG 49 HE ARG 49 13.151 -8.121 3.502 392 HH11 ARG 49 HH12 ARG 49 14.019 -9.359 6.675 393 HH12 ARG 49 HH11 ARG 49 15.663 -8.822 6.574 394 HH21 ARG 49 HH21 ARG 49 15.366 -7.496 3.341 395 HH22 ARG 49 HH22 ARG 49 16.428 -7.766 4.687 396 H GLY 50 HN GLY 50 5.840 -9.527 3.186 397 HA2 GLY 50 HA2 GLY 50 3.946 -8.545 3.948 398 HA3 GLY 50 HA1 GLY 50 4.842 -8.023 5.346 399 H PHE 51 HN PHE 51 6.106 -6.641 2.345 400 HA PHE 51 HA PHE 51 4.486 -4.316 2.579 401 HB2 PHE 51 HB2 PHE 51 5.622 -2.899 4.027 402 HB3 PHE 51 HB1 PHE 51 5.799 -4.436 4.788 403 HD1 PHE 51 HD1 PHE 51 8.045 -5.500 4.999 404 HD2 PHE 51 HD2 PHE 51 7.553 -1.571 3.356 405 HE1 PHE 51 HE1 PHE 51 10.429 -5.060 5.293 406 HE2 PHE 51 HE2 PHE 51 9.929 -1.156 3.652 407 HZ PHE 51 HZ PHE 51 11.380 -2.907 4.589 408 H ALA 52 HN ALA 52 4.639 -3.206 0.452 409 HA ALA 52 HA ALA 52 7.394 -2.689 -0.480 410 HB1 ALA 52 HB1 ALA 52 6.438 -2.736 -2.874 411 HB2 ALA 52 HB2 ALA 52 5.138 -3.719 -2.211 412 HB3 ALA 52 HB3 ALA 52 6.802 -4.277 -2.126 413 H PHE 53 HN PHE 53 7.741 -0.547 -1.021 414 HA PHE 53 HA PHE 53 5.604 1.376 -0.636 415 HB2 PHE 53 HB2 PHE 53 8.575 1.619 -0.955 416 HB3 PHE 53 HB1 PHE 53 7.563 3.039 -1.108 417 HD1 PHE 53 HD1 PHE 53 8.338 0.261 1.324 418 HD2 PHE 53 HD2 PHE 53 7.167 4.325 0.783 419 HE1 PHE 53 HE1 PHE 53 8.471 0.595 3.696 420 HE2 PHE 53 HE2 PHE 53 7.297 4.639 3.198 421 HZ PHE 53 HZ PHE 53 7.941 2.793 4.667 422 H VAL 54 HN VAL 54 4.915 3.047 -2.379 423 HA VAL 54 HA VAL 54 5.966 2.566 -5.012 424 HB VAL 54 HB VAL 54 2.934 2.376 -4.860 425 HG11 VAL 54 HG11 VAL 54 2.775 1.888 -7.131 426 HG12 VAL 54 HG12 VAL 54 4.511 1.803 -7.303 427 HG13 VAL 54 HG13 VAL 54 3.738 3.350 -6.967 428 HG21 VAL 54 HG21 VAL 54 4.737 0.062 -5.248 429 HG22 VAL 54 HG22 VAL 54 3.117 0.136 -5.898 430 HG23 VAL 54 HG23 VAL 54 3.349 0.236 -4.170 431 H GLU 55 HN GLU 55 6.630 4.867 -5.499 432 HA GLU 55 HA GLU 55 4.657 6.932 -4.842 433 HB2 GLU 55 HB2 GLU 55 7.424 6.801 -4.986 434 HB3 GLU 55 HB1 GLU 55 7.022 7.552 -6.514 435 HG2 GLU 55 HG2 GLU 55 5.889 9.365 -5.103 436 HG3 GLU 55 HG1 GLU 55 6.773 8.669 -3.751 437 H TYR 56 HN TYR 56 3.466 8.195 -6.492 438 HA TYR 56 HA TYR 56 3.246 6.989 -9.199 439 HB2 TYR 56 HB2 TYR 56 1.278 7.862 -7.324 440 HB3 TYR 56 HB1 TYR 56 1.212 8.950 -8.679 441 HD1 TYR 56 HD1 TYR 56 1.500 5.134 -8.538 442 HD2 TYR 56 HD2 TYR 56 -0.601 8.611 -9.850 443 HE1 TYR 56 HE1 TYR 56 -0.224 3.712 -9.539 444 HE2 TYR 56 HE2 TYR 56 -2.247 7.203 -10.949 445 HH TYR 56 HH TYR 56 -2.653 3.973 -10.312 446 H VAL 57 HN VAL 57 2.660 8.744 -11.127 447 HA VAL 57 HA VAL 57 4.037 11.256 -10.655 448 HB VAL 57 HB VAL 57 3.077 10.050 -13.246 449 HG11 VAL 57 HG11 VAL 57 2.134 12.210 -13.597 450 HG12 VAL 57 HG12 VAL 57 3.645 12.139 -14.479 451 HG13 VAL 57 HG13 VAL 57 3.563 13.011 -12.954 452 HG21 VAL 57 HG21 VAL 57 5.447 9.864 -12.531 453 HG22 VAL 57 HG22 VAL 57 5.573 11.610 -12.645 454 HG23 VAL 57 HG23 VAL 57 5.237 10.658 -14.074 455 H GLU 58 HN GLU 58 0.353 10.790 -11.352 456 HA GLU 58 HA GLU 58 0.291 13.713 -10.933 457 HB2 GLU 58 HB2 GLU 58 -1.602 12.006 -12.562 458 HB3 GLU 58 HB1 GLU 58 -2.056 13.576 -12.008 459 HG2 GLU 58 HG2 GLU 58 -0.142 12.887 -14.167 460 HG3 GLU 58 HG1 GLU 58 -1.514 13.984 -14.133 461 H VAL 59 HN VAL 59 -1.449 14.645 -9.589 462 HA VAL 59 HA VAL 59 -1.815 12.855 -7.353 463 HB VAL 59 HB VAL 59 -1.653 14.495 -5.998 464 HG11 VAL 59 HG11 VAL 59 -1.111 16.488 -8.128 465 HG12 VAL 59 HG12 VAL 59 0.031 15.252 -7.599 466 HG13 VAL 59 HG13 VAL 59 -0.532 16.470 -6.468 467 HG21 VAL 59 HG21 VAL 59 -3.672 16.265 -7.332 468 HG22 VAL 59 HG22 VAL 59 -2.794 16.669 -5.871 469 HG23 VAL 59 HG23 VAL 59 -3.870 15.284 -5.874 470 H ASP 60 HN ASP 60 -4.328 14.441 -9.454 471 HA ASP 60 HA ASP 60 -6.566 13.409 -8.122 472 HB2 ASP 60 HB2 ASP 60 -6.457 13.732 -11.125 473 HB3 ASP 60 HB1 ASP 60 -7.855 13.809 -10.049 474 H ASP 61 HN ASP 61 -4.870 11.785 -10.868 475 HA ASP 61 HA ASP 61 -6.308 9.493 -10.946 476 HB2 ASP 61 HB2 ASP 61 -3.343 9.678 -11.613 477 HB3 ASP 61 HB1 ASP 61 -4.426 8.361 -12.079 478 H ALA 62 HN ALA 62 -3.503 9.871 -8.647 479 HA ALA 62 HA ALA 62 -3.315 7.612 -7.310 480 HB1 ALA 62 HB1 ALA 62 -2.379 9.789 -6.500 481 HB2 ALA 62 HB2 ALA 62 -2.996 8.779 -5.222 482 HB3 ALA 62 HB3 ALA 62 -3.930 10.148 -5.769 483 H LYS 63 HN LYS 63 -5.965 9.789 -6.309 484 HA LYS 63 HA LYS 63 -7.296 8.060 -4.568 485 HB2 LYS 63 HB2 LYS 63 -8.674 10.270 -6.143 486 HB3 LYS 63 HB1 LYS 63 -9.430 9.294 -4.917 487 HG2 LYS 63 HG2 LYS 63 -8.871 11.265 -3.816 488 HG3 LYS 63 HG1 LYS 63 -7.676 10.105 -3.269 489 HD2 LYS 63 HD2 LYS 63 -5.973 11.132 -4.641 490 HD3 LYS 63 HD1 LYS 63 -7.160 12.168 -5.436 491 HE2 LYS 63 HE2 LYS 63 -7.626 12.864 -2.907 492 HE3 LYS 63 HE1 LYS 63 -5.938 12.377 -2.753 493 HZ1 LYS 63 HZ1 LYS 63 -5.382 13.917 -4.558 494 HZ2 LYS 63 HZ2 LYS 63 -6.098 14.723 -3.254 495 HZ3 LYS 63 HZ3 LYS 63 -7.000 14.409 -4.651 496 H HIS 64 HN HIS 64 -8.161 8.261 -8.093 497 HA HIS 64 HA HIS 64 -10.143 6.290 -7.780 498 HB2 HIS 64 HB2 HIS 64 -8.976 7.336 -10.371 499 HB3 HIS 64 HB1 HIS 64 -10.236 6.125 -10.271 500 HD1 HIS 64 HD1 HIS 64 -9.584 9.744 -9.514 501 HD2 HIS 64 HD2 HIS 64 -12.766 7.072 -9.611 502 HE1 HIS 64 HE1 HIS 64 -11.648 11.124 -9.162 503 HE2 HIS 64 HE2 HIS 64 -13.510 9.458 -8.999 504 H ALA 65 HN ALA 65 -6.655 5.755 -8.536 505 HA ALA 65 HA ALA 65 -7.297 3.018 -8.979 506 HB1 ALA 65 HB1 ALA 65 -5.305 3.532 -10.044 507 HB2 ALA 65 HB2 ALA 65 -4.864 2.424 -8.754 508 HB3 ALA 65 HB3 ALA 65 -4.522 4.141 -8.594 509 H LEU 66 HN LEU 66 -6.061 4.468 -5.831 510 HA LEU 66 HA LEU 66 -6.054 1.957 -4.632 511 HB2 LEU 66 HB2 LEU 66 -4.758 2.891 -3.122 512 HB3 LEU 66 HB1 LEU 66 -5.141 4.484 -3.632 513 HG LEU 66 HG LEU 66 -7.106 4.287 -1.862 514 HD11 LEU 66 HD11 LEU 66 -5.148 2.353 -0.667 515 HD12 LEU 66 HD12 LEU 66 -6.611 1.819 -1.495 516 HD13 LEU 66 HD13 LEU 66 -6.726 2.820 -0.055 517 HD21 LEU 66 HD21 LEU 66 -5.277 5.868 -1.499 518 HD22 LEU 66 HD22 LEU 66 -4.235 4.561 -0.976 519 HD23 LEU 66 HD23 LEU 66 -5.636 4.993 -0.015 520 H TYR 67 HN TYR 67 -8.896 4.208 -4.645 521 HA TYR 67 HA TYR 67 -10.327 2.347 -3.028 522 HB2 TYR 67 HB2 TYR 67 -11.541 4.558 -4.750 523 HB3 TYR 67 HB1 TYR 67 -12.417 3.537 -3.634 524 HD1 TYR 67 HD1 TYR 67 -12.294 3.848 -1.230 525 HD2 TYR 67 HD2 TYR 67 -9.978 6.328 -3.833 526 HE1 TYR 67 HE1 TYR 67 -11.812 5.361 0.638 527 HE2 TYR 67 HE2 TYR 67 -9.500 7.835 -1.954 528 HH TYR 67 HH TYR 67 -10.497 8.434 0.244 529 H ASN 68 HN ASN 68 -9.649 2.148 -6.422 530 HA ASN 68 HA ASN 68 -11.523 -0.088 -6.746 531 HB2 ASN 68 HB2 ASN 68 -10.899 1.309 -8.812 532 HB3 ASN 68 HB1 ASN 68 -9.285 0.573 -8.747 533 HD21 ASN 68 HD21 ASN 68 -8.996 -1.432 -9.615 534 HD22 ASN 68 HD22 ASN 68 -10.246 -2.325 -10.389 535 H MET 69 HN MET 69 -8.782 -0.077 -4.887 536 HA MET 69 HA MET 69 -7.524 -2.355 -6.271 537 HB2 MET 69 HB2 MET 69 -6.276 -0.085 -4.787 538 HB3 MET 69 HB1 MET 69 -5.456 -1.636 -4.787 539 HG2 MET 69 HG2 MET 69 -6.185 0.036 -7.211 540 HG3 MET 69 HG1 MET 69 -4.591 -0.274 -6.562 541 HE1 MET 69 HE1 MET 69 -4.517 -0.594 -9.377 542 HE2 MET 69 HE2 MET 69 -6.255 -0.821 -9.588 543 HE3 MET 69 HE3 MET 69 -5.128 -2.060 -10.144 544 H ASN 70 HN ASN 70 -9.331 -1.593 -3.529 545 HA ASN 70 HA ASN 70 -8.380 -3.681 -1.797 546 HB2 ASN 70 HB2 ASN 70 -10.742 -3.516 -0.765 547 HB3 ASN 70 HB1 ASN 70 -9.712 -2.110 -0.619 548 HD21 ASN 70 HD21 ASN 70 -12.183 -1.684 -0.065 549 HD22 ASN 70 HD22 ASN 70 -13.040 -0.818 -1.291 550 H ASN 71 HN ASN 71 -11.037 -3.633 -4.298 551 HA ASN 71 HA ASN 71 -11.521 -6.448 -3.852 552 HB2 ASN 71 HB2 ASN 71 -13.315 -6.225 -5.493 553 HB3 ASN 71 HB1 ASN 71 -13.420 -4.960 -4.274 554 HD21 ASN 71 HD21 ASN 71 -13.128 -2.797 -4.902 555 HD22 ASN 71 HD22 ASN 71 -13.069 -2.327 -6.564 556 H PHE 72 HN PHE 72 -8.889 -5.529 -5.088 557 HA PHE 72 HA PHE 72 -9.128 -6.892 -7.672 558 HB2 PHE 72 HB2 PHE 72 -8.500 -4.655 -8.137 559 HB3 PHE 72 HB1 PHE 72 -7.275 -4.615 -6.885 560 HD1 PHE 72 HD2 PHE 72 -8.135 -5.890 -10.221 561 HD2 PHE 72 HD1 PHE 72 -5.034 -5.350 -7.356 562 HE1 PHE 72 HE2 PHE 72 -6.451 -6.384 -11.954 563 HE2 PHE 72 HE1 PHE 72 -3.346 -5.837 -9.076 564 HZ PHE 72 HZ PHE 72 -4.059 -6.361 -11.385 565 H GLU 73 HN GLU 73 -8.121 -8.924 -7.803 566 HA GLU 73 HA GLU 73 -6.117 -9.546 -5.807 567 HB2 GLU 73 HB2 GLU 73 -7.136 -11.553 -5.563 568 HB3 GLU 73 HB1 GLU 73 -8.451 -10.831 -6.424 569 HG2 GLU 73 HG2 GLU 73 -7.393 -11.909 -8.527 570 HG3 GLU 73 HG1 GLU 73 -6.437 -12.804 -7.363 571 H LEU 74 HN LEU 74 -3.890 -9.760 -6.476 572 HA LEU 74 HA LEU 74 -3.402 -9.674 -9.389 573 HB2 LEU 74 HB2 LEU 74 -2.302 -7.875 -7.905 574 HB3 LEU 74 HB1 LEU 74 -1.278 -9.134 -7.239 575 HG LEU 74 HG LEU 74 -0.826 -9.506 -9.913 576 HD11 LEU 74 HD11 LEU 74 -1.170 -6.534 -9.583 577 HD12 LEU 74 HD12 LEU 74 -2.169 -7.592 -10.577 578 HD13 LEU 74 HD13 LEU 74 -0.473 -7.344 -10.983 579 HD21 LEU 74 HD21 LEU 74 1.058 -9.362 -8.393 580 HD22 LEU 74 HD22 LEU 74 0.754 -7.655 -8.078 581 HD23 LEU 74 HD23 LEU 74 1.290 -8.169 -9.671 582 H ASN 75 HN ASN 75 -2.880 -11.694 -10.316 583 HA ASN 75 HA ASN 75 -2.112 -13.883 -10.522 584 HB2 ASN 75 HB2 ASN 75 0.035 -12.775 -8.588 585 HB3 ASN 75 HB1 ASN 75 0.118 -14.407 -9.255 586 HD21 ASN 75 HD21 ASN 75 2.287 -13.837 -10.270 587 HD22 ASN 75 HD22 ASN 75 2.302 -12.833 -11.690 588 H GLY 76 HN GLY 76 -4.318 -13.770 -8.834 589 HA2 GLY 76 HA2 GLY 76 -5.544 -14.972 -7.359 590 HA3 GLY 76 HA1 GLY 76 -4.261 -16.135 -7.400 591 H LYS 77 HN LYS 77 -3.872 -12.867 -6.121 592 HA LYS 77 HA LYS 77 -3.674 -13.965 -3.457 593 HB2 LYS 77 HB2 LYS 77 -1.422 -14.081 -3.830 594 HB3 LYS 77 HB1 LYS 77 -1.390 -12.818 -5.022 595 HG2 LYS 77 HG2 LYS 77 -0.872 -11.227 -3.560 596 HG3 LYS 77 HG1 LYS 77 -1.887 -11.849 -2.266 597 HD2 LYS 77 HD2 LYS 77 0.804 -12.930 -3.136 598 HD3 LYS 77 HD1 LYS 77 0.518 -11.950 -1.714 599 HE2 LYS 77 HE2 LYS 77 -0.609 -13.743 -0.606 600 HE3 LYS 77 HE1 LYS 77 -0.653 -14.711 -2.081 601 HZ1 LYS 77 HZ1 LYS 77 1.703 -14.931 -2.024 602 HZ2 LYS 77 HZ2 LYS 77 1.107 -15.350 -0.498 603 HZ3 LYS 77 HZ3 LYS 77 1.837 -13.846 -0.734 604 H ARG 78 HN ARG 78 -3.954 -12.353 -1.724 605 HA ARG 78 HA ARG 78 -5.583 -10.080 -2.585 606 HB2 ARG 78 HB2 ARG 78 -5.765 -11.823 -0.409 607 HB3 ARG 78 HB1 ARG 78 -5.113 -10.382 0.336 608 HG2 ARG 78 HG2 ARG 78 -7.810 -10.826 -0.951 609 HG3 ARG 78 HG1 ARG 78 -7.422 -10.300 0.672 610 HD2 ARG 78 HD2 ARG 78 -6.603 -8.103 -0.368 611 HD3 ARG 78 HD1 ARG 78 -7.370 -8.661 -1.861 612 HE ARG 78 HE ARG 78 -9.426 -8.917 -0.388 613 HH11 ARG 78 HH12 ARG 78 -7.038 -6.373 0.077 614 HH12 ARG 78 HH11 ARG 78 -8.173 -5.287 0.810 615 HH21 ARG 78 HH22 ARG 78 -10.888 -7.514 0.622 616 HH22 ARG 78 HH21 ARG 78 -10.369 -5.937 1.122 617 H ILE 79 HN ILE 79 -4.622 -7.946 -2.704 618 HA ILE 79 HA ILE 79 -2.121 -7.553 -1.146 619 HB ILE 79 HB ILE 79 -2.066 -5.293 -2.431 620 HG12 ILE 79 HG12 ILE 79 -3.777 -6.679 -4.516 621 HG13 ILE 79 HG11 ILE 79 -4.433 -5.473 -3.408 622 HG21 ILE 79 HG21 ILE 79 -1.177 -6.337 -4.587 623 HG22 ILE 79 HG22 ILE 79 -1.478 -7.886 -3.818 624 HG23 ILE 79 HG23 ILE 79 -0.376 -6.724 -3.084 625 HD11 ILE 79 HD11 ILE 79 -3.852 -4.546 -5.606 626 HD12 ILE 79 HD12 ILE 79 -2.175 -5.005 -5.344 627 HD13 ILE 79 HD13 ILE 79 -2.934 -3.799 -4.304 628 H HIS 80 HN HIS 80 -2.160 -6.258 0.656 629 HA HIS 80 HA HIS 80 -4.741 -4.907 1.284 630 HB2 HIS 80 HB2 HIS 80 -2.243 -5.052 3.091 631 HB3 HIS 80 HB1 HIS 80 -3.808 -4.417 3.536 632 HD1 HIS 80 HD1 HIS 80 -1.879 -7.137 4.283 633 HD2 HIS 80 HD2 HIS 80 -5.839 -6.791 3.046 634 HE1 HIS 80 HE1 HIS 80 -3.020 -9.233 5.066 635 HE2 HIS 80 HE2 HIS 80 -5.416 -8.997 4.325 636 H VAL 81 HN VAL 81 -5.014 -2.667 0.748 637 HA VAL 81 HA VAL 81 -2.513 -1.182 0.092 638 HB VAL 81 HB VAL 81 -5.193 -0.500 -1.210 639 HG11 VAL 81 HG11 VAL 81 -4.015 1.239 -1.896 640 HG12 VAL 81 HG12 VAL 81 -3.394 0.130 -3.090 641 HG13 VAL 81 HG13 VAL 81 -2.464 0.489 -1.651 642 HG21 VAL 81 HG21 VAL 81 -3.635 -2.869 -1.862 643 HG22 VAL 81 HG22 VAL 81 -3.713 -1.766 -3.205 644 HG23 VAL 81 HG23 VAL 81 -5.185 -2.345 -2.461 645 H ASN 82 HN ASN 82 -2.089 0.514 1.654 646 HA ASN 82 HA ASN 82 -4.338 2.325 2.368 647 HB2 ASN 82 HB2 ASN 82 -3.053 2.620 4.608 648 HB3 ASN 82 HB1 ASN 82 -4.055 1.184 4.436 649 HD21 ASN 82 HD21 ASN 82 -0.791 2.449 4.387 650 HD22 ASN 82 HD22 ASN 82 -0.001 0.941 4.644 651 H TYR 83 HN TYR 83 -3.245 4.460 3.451 652 HA TYR 83 HA TYR 83 -1.406 5.480 1.457 653 HB2 TYR 83 HB2 TYR 83 -3.073 7.109 1.817 654 HB3 TYR 83 HB1 TYR 83 -3.117 6.822 3.565 655 HD1 TYR 83 HD1 TYR 83 -1.292 8.522 0.812 656 HD2 TYR 83 HD2 TYR 83 -1.726 8.165 5.035 657 HE1 TYR 83 HE1 TYR 83 0.005 10.572 1.115 658 HE2 TYR 83 HE2 TYR 83 -0.419 10.220 5.338 659 HH TYR 83 HH TYR 83 0.348 12.310 2.732 660 H SER 84 HN SER 84 0.699 7.037 2.383 661 HA SER 84 HA SER 84 1.817 5.711 4.752 662 HB2 SER 84 HB2 SER 84 2.485 4.230 2.849 663 HB3 SER 84 HB1 SER 84 3.313 5.593 2.077 664 HG SER 84 HG SER 84 4.356 3.918 3.754 665 H LYS 85 HN LYS 85 4.020 6.857 5.420 666 HA LYS 85 HA LYS 85 3.852 9.697 4.572 667 HB2 LYS 85 HB2 LYS 85 3.902 8.878 7.192 668 HB3 LYS 85 HB1 LYS 85 5.644 9.034 6.917 669 HG2 LYS 85 HG2 LYS 85 5.371 11.346 6.252 670 HG3 LYS 85 HG1 LYS 85 3.610 11.223 6.441 671 HD2 LYS 85 HD2 LYS 85 4.091 10.528 8.896 672 HD3 LYS 85 HD1 LYS 85 5.735 11.096 8.622 673 HE2 LYS 85 HE2 LYS 85 4.028 12.690 9.715 674 HE3 LYS 85 HE1 LYS 85 5.068 13.338 8.461 675 HZ1 LYS 85 HZ1 LYS 85 2.233 12.488 8.154 676 HZ2 LYS 85 HZ2 LYS 85 3.223 12.951 6.867 677 HZ3 LYS 85 HZ3 LYS 85 2.825 14.064 8.074 678 H THR 86 HN THR 86 5.937 10.871 3.904 679 HA THR 86 HA THR 86 7.964 8.894 3.057 680 HB THR 86 HB THR 86 8.335 10.537 1.067 681 HG1 THR 86 HG1 THR 86 6.897 12.140 1.815 682 HG21 THR 86 HG21 THR 86 7.596 8.335 0.488 683 HG22 THR 86 HG22 THR 86 6.512 9.454 -0.339 684 HG23 THR 86 HG23 THR 86 5.971 8.630 1.116 Start of MODEL 7 1 H1 GLY -2 HT1 GLY -2 -9.874 -0.382 12.805 2 H2 GLY -2 HT2 GLY -2 -9.869 -2.050 13.086 3 H3 GLY -2 HT3 GLY -2 -10.027 -1.457 11.512 4 HA2 GLY -2 HA1 GLY -2 -7.628 -1.149 13.231 5 HA3 GLY -2 HA2 GLY -2 -7.788 -2.281 11.895 6 H SER -1 HN SER -1 -6.432 -1.556 10.368 7 HA SER -1 HA SER -1 -6.611 1.284 9.618 8 HB2 SER -1 HB2 SER -1 -4.345 -0.675 9.122 9 HB3 SER -1 HB1 SER -1 -4.364 1.017 8.622 10 HG SER -1 HG SER -1 -3.744 1.537 10.559 11 H HIS 0 HN HIS 0 -6.936 1.840 7.525 12 HA HIS 0 HA HIS 0 -7.808 1.810 5.473 13 HB2 HIS 0 HB2 HIS 0 -5.975 0.328 4.760 14 HB3 HIS 0 HB1 HIS 0 -6.900 -1.074 5.278 15 HD1 HIS 0 HD1 HIS 0 -7.581 1.858 2.905 16 HD2 HIS 0 HD2 HIS 0 -8.054 -2.258 3.156 17 HE1 HIS 0 HE1 HIS 0 -8.739 1.184 0.784 18 HE2 HIS 0 HE2 HIS 0 -9.194 -1.289 1.058 19 H MET 1 HN MET 1 -9.844 2.242 6.126 20 HA MET 1 HA MET 1 -11.689 0.025 5.602 21 HB2 MET 1 HB2 MET 1 -13.457 1.491 6.678 22 HB3 MET 1 HB1 MET 1 -12.259 0.841 7.765 23 HG2 MET 1 HG2 MET 1 -12.074 3.626 6.665 24 HG3 MET 1 HG1 MET 1 -12.998 3.249 8.111 25 HE1 MET 1 HE1 MET 1 -11.970 2.397 10.338 26 HE2 MET 1 HE2 MET 1 -10.247 2.155 10.637 27 HE3 MET 1 HE3 MET 1 -11.120 1.052 9.578 28 H SER 2 HN SER 2 -13.708 2.523 5.065 29 HA SER 2 HA SER 2 -12.544 2.993 2.390 30 HB2 SER 2 HB2 SER 2 -14.734 1.780 2.465 31 HB3 SER 2 HB1 SER 2 -15.483 3.237 3.128 32 HG SER 2 HG SER 2 -15.263 4.229 1.256 33 H ASP 3 HN ASP 3 -11.176 4.708 3.331 34 HA ASP 3 HA ASP 3 -12.016 7.304 2.896 35 HB2 ASP 3 HB2 ASP 3 -13.367 7.021 4.992 36 HB3 ASP 3 HB1 ASP 3 -11.887 6.656 5.871 37 H ASN 4 HN ASN 4 -10.085 8.346 2.484 38 HA ASN 4 HA ASN 4 -7.832 8.158 4.225 39 HB2 ASN 4 HB2 ASN 4 -6.174 7.256 2.593 40 HB3 ASN 4 HB1 ASN 4 -7.366 6.065 3.054 41 HD21 ASN 4 HD21 ASN 4 -8.636 5.150 1.517 42 HD22 ASN 4 HD22 ASN 4 -8.553 5.531 -0.162 43 H ASN 5 HN ASN 5 -6.331 9.742 3.858 44 HA ASN 5 HA ASN 5 -7.087 11.808 1.952 45 HB2 ASN 5 HB2 ASN 5 -6.034 11.829 4.582 46 HB3 ASN 5 HB1 ASN 5 -4.821 12.568 3.544 47 HD21 ASN 5 HD21 ASN 5 -5.356 14.441 2.385 48 HD22 ASN 5 HD22 ASN 5 -6.696 15.431 2.848 49 H ALA 6 HN ALA 6 -5.748 9.460 0.761 50 HA ALA 6 HA ALA 6 -2.910 9.880 0.582 51 HB1 ALA 6 HB1 ALA 6 -4.436 8.167 -1.378 52 HB2 ALA 6 HB2 ALA 6 -3.953 7.584 0.210 53 HB3 ALA 6 HB3 ALA 6 -2.729 8.075 -0.946 54 H THR 7 HN THR 7 -2.498 11.964 -0.248 55 HA THR 7 HA THR 7 -2.803 11.947 -3.183 56 HB THR 7 HB THR 7 -3.257 14.111 -2.418 57 HG1 THR 7 HG1 THR 7 -0.511 14.249 -3.207 58 HG21 THR 7 HG21 THR 7 -0.715 14.032 -0.791 59 HG22 THR 7 HG22 THR 7 -2.367 14.154 -0.182 60 HG23 THR 7 HG23 THR 7 -1.661 15.492 -1.085 61 H ASP 8 HN ASP 8 -1.129 11.295 -4.465 62 HA ASP 8 HA ASP 8 0.760 10.671 -5.367 63 HB2 ASP 8 HB2 ASP 8 2.444 12.362 -5.362 64 HB3 ASP 8 HB1 ASP 8 0.986 13.167 -4.960 65 H ILE 9 HN ILE 9 0.211 9.338 -2.507 66 HA ILE 9 HA ILE 9 2.712 7.871 -2.258 67 HB ILE 9 HB ILE 9 1.428 8.967 0.269 68 HG12 ILE 9 HG12 ILE 9 4.054 9.887 -0.917 69 HG13 ILE 9 HG11 ILE 9 2.579 10.586 -1.443 70 HG21 ILE 9 HG21 ILE 9 2.776 6.746 0.246 71 HG22 ILE 9 HG22 ILE 9 3.187 7.951 1.445 72 HG23 ILE 9 HG23 ILE 9 4.191 7.767 0.015 73 HD11 ILE 9 HD11 ILE 9 2.109 11.377 0.831 74 HD12 ILE 9 HD12 ILE 9 3.594 12.020 0.137 75 HD13 ILE 9 HD13 ILE 9 3.679 10.749 1.343 76 H LEU 10 HN LEU 10 2.379 5.724 -2.405 77 HA LEU 10 HA LEU 10 -0.326 4.756 -1.654 78 HB2 LEU 10 HB2 LEU 10 0.973 4.807 -4.313 79 HB3 LEU 10 HB1 LEU 10 0.241 3.274 -3.870 80 HG LEU 10 HG LEU 10 -1.070 5.178 -5.255 81 HD11 LEU 10 HD11 LEU 10 -2.345 3.326 -3.313 82 HD12 LEU 10 HD12 LEU 10 -1.813 2.970 -4.980 83 HD13 LEU 10 HD13 LEU 10 -3.109 4.120 -4.704 84 HD21 LEU 10 HD21 LEU 10 -2.129 5.744 -2.466 85 HD22 LEU 10 HD22 LEU 10 -2.626 6.480 -3.964 86 HD23 LEU 10 HD23 LEU 10 -1.054 6.848 -3.316 87 H PHE 11 HN PHE 11 0.273 3.414 0.119 88 HA PHE 11 HA PHE 11 2.321 1.446 -0.016 89 HB2 PHE 11 HB2 PHE 11 1.599 2.340 2.095 90 HB3 PHE 11 HB1 PHE 11 -0.027 1.745 1.866 91 HD1 PHE 11 HD1 PHE 11 3.491 0.649 2.516 92 HD2 PHE 11 HD2 PHE 11 -0.668 -0.296 2.781 93 HE1 PHE 11 HE1 PHE 11 3.997 -1.087 4.108 94 HE2 PHE 11 HE2 PHE 11 -0.131 -2.093 4.356 95 HZ PHE 11 HZ PHE 11 2.202 -2.511 5.010 96 H VAL 12 HN VAL 12 2.265 -0.692 -0.384 97 HA VAL 12 HA VAL 12 -0.151 -1.981 -1.501 98 HB VAL 12 HB VAL 12 2.598 -2.225 -2.878 99 HG11 VAL 12 HG11 VAL 12 1.675 -4.472 -2.794 100 HG12 VAL 12 HG12 VAL 12 1.693 -3.839 -4.435 101 HG13 VAL 12 HG13 VAL 12 0.182 -3.888 -3.545 102 HG21 VAL 12 HG21 VAL 12 0.993 -0.326 -3.668 103 HG22 VAL 12 HG22 VAL 12 0.058 -1.638 -4.374 104 HG23 VAL 12 HG23 VAL 12 1.713 -1.396 -4.857 105 H GLY 13 HN GLY 13 -0.155 -4.545 -0.969 106 HA2 GLY 13 HA2 GLY 13 1.376 -4.916 1.538 107 HA3 GLY 13 HA1 GLY 13 -0.104 -5.744 1.127 108 H GLY 14 HN GLY 14 1.123 -7.685 1.793 109 HA2 GLY 14 HA2 GLY 14 3.209 -8.660 0.263 110 HA3 GLY 14 HA1 GLY 14 2.097 -9.649 1.135 111 H ILE 15 HN ILE 15 3.480 -9.421 -1.678 112 HA ILE 15 HA ILE 15 1.142 -10.302 -3.201 113 HB ILE 15 HB ILE 15 3.086 -9.858 -5.118 114 HG12 ILE 15 HG12 ILE 15 3.405 -7.970 -2.845 115 HG13 ILE 15 HG11 ILE 15 4.556 -8.471 -4.058 116 HG21 ILE 15 HG21 ILE 15 1.536 -8.284 -5.964 117 HG22 ILE 15 HG22 ILE 15 0.906 -7.949 -4.360 118 HG23 ILE 15 HG23 ILE 15 0.592 -9.512 -5.113 119 HD11 ILE 15 HD11 ILE 15 4.304 -6.195 -4.325 120 HD12 ILE 15 HD12 ILE 15 2.556 -6.280 -4.168 121 HD13 ILE 15 HD13 ILE 15 3.343 -6.889 -5.622 122 H ASP 16 HN ASP 16 1.855 -11.845 -5.111 123 HA ASP 16 HA ASP 16 2.664 -14.268 -3.790 124 HB2 ASP 16 HB2 ASP 16 1.111 -14.947 -5.248 125 HB3 ASP 16 HB1 ASP 16 1.151 -13.450 -6.154 126 H GLU 17 HN GLU 17 4.383 -15.773 -4.939 127 HA GLU 17 HA GLU 17 6.723 -14.047 -4.992 128 HB2 GLU 17 HB2 GLU 17 8.088 -16.171 -4.634 129 HB3 GLU 17 HB1 GLU 17 6.890 -15.836 -3.384 130 HG2 GLU 17 HG2 GLU 17 5.394 -17.482 -4.713 131 HG3 GLU 17 HG1 GLU 17 6.911 -17.978 -5.468 132 H THR 18 HN THR 18 5.045 -14.842 -7.734 133 HA THR 18 HA THR 18 7.594 -15.112 -9.189 134 HB THR 18 HB THR 18 6.040 -17.036 -9.745 135 HG1 THR 18 HG1 THR 18 7.436 -16.946 -11.276 136 HG21 THR 18 HG21 THR 18 4.351 -16.748 -11.492 137 HG22 THR 18 HG22 THR 18 4.493 -15.002 -11.394 138 HG23 THR 18 HG23 THR 18 3.829 -15.914 -10.040 139 H ILE 19 HN ILE 19 6.149 -12.527 -8.225 140 HA ILE 19 HA ILE 19 6.382 -11.148 -10.820 141 HB ILE 19 HB ILE 19 5.242 -9.139 -10.067 142 HG12 ILE 19 HG12 ILE 19 5.406 -8.480 -7.895 143 HG13 ILE 19 HG11 ILE 19 3.878 -9.343 -7.704 144 HG21 ILE 19 HG21 ILE 19 3.487 -11.500 -9.431 145 HG22 ILE 19 HG22 ILE 19 3.609 -10.582 -10.938 146 HG23 ILE 19 HG23 ILE 19 2.930 -9.838 -9.501 147 HD11 ILE 19 HD11 ILE 19 4.763 -10.796 -6.306 148 HD12 ILE 19 HD12 ILE 19 6.112 -9.641 -6.178 149 HD13 ILE 19 HD13 ILE 19 6.221 -11.007 -7.265 150 H ASP 20 HN ASP 20 7.647 -9.156 -10.888 151 HA ASP 20 HA ASP 20 9.575 -8.855 -8.732 152 HB2 ASP 20 HB2 ASP 20 10.024 -9.293 -11.643 153 HB3 ASP 20 HB1 ASP 20 11.184 -8.350 -10.766 154 H GLU 21 HN GLU 21 11.049 -6.774 -9.309 155 HA GLU 21 HA GLU 21 9.741 -4.409 -8.985 156 HB2 GLU 21 HB2 GLU 21 12.285 -4.790 -8.859 157 HB3 GLU 21 HB1 GLU 21 12.320 -4.525 -10.589 158 HG2 GLU 21 HG2 GLU 21 11.028 -2.345 -9.219 159 HG3 GLU 21 HG1 GLU 21 12.637 -2.669 -8.592 160 H LYS 22 HN LYS 22 10.900 -5.339 -12.253 161 HA LYS 22 HA LYS 22 9.778 -3.132 -13.540 162 HB2 LYS 22 HB2 LYS 22 10.238 -5.393 -15.343 163 HB3 LYS 22 HB1 LYS 22 10.923 -3.796 -15.366 164 HG2 LYS 22 HG2 LYS 22 12.782 -5.189 -15.240 165 HG3 LYS 22 HG1 LYS 22 12.605 -4.701 -13.559 166 HD2 LYS 22 HD2 LYS 22 11.343 -6.879 -13.186 167 HD3 LYS 22 HD1 LYS 22 11.747 -7.311 -14.845 168 HE2 LYS 22 HE2 LYS 22 13.718 -6.797 -12.597 169 HE3 LYS 22 HE1 LYS 22 13.370 -8.341 -13.380 170 HZ1 LYS 22 HZ1 LYS 22 14.278 -7.479 -15.431 171 HZ2 LYS 22 HZ2 LYS 22 15.422 -7.368 -14.192 172 HZ3 LYS 22 HZ3 LYS 22 14.601 -5.986 -14.704 173 H SER 23 HN SER 23 8.396 -6.378 -13.053 174 HA SER 23 HA SER 23 6.226 -6.170 -14.800 175 HB2 SER 23 HB2 SER 23 5.752 -7.743 -12.347 176 HB3 SER 23 HB1 SER 23 5.720 -8.227 -14.031 177 HG SER 23 HG SER 23 7.839 -8.639 -13.992 178 H LEU 24 HN LEU 24 6.436 -5.243 -11.334 179 HA LEU 24 HA LEU 24 3.695 -4.480 -11.145 180 HB2 LEU 24 HB2 LEU 24 5.990 -3.923 -9.266 181 HB3 LEU 24 HB1 LEU 24 4.393 -3.289 -9.018 182 HG LEU 24 HG LEU 24 4.832 -6.235 -9.408 183 HD11 LEU 24 HD11 LEU 24 6.267 -5.365 -7.443 184 HD12 LEU 24 HD12 LEU 24 5.078 -6.605 -7.062 185 HD13 LEU 24 HD13 LEU 24 4.736 -4.930 -6.683 186 HD21 LEU 24 HD21 LEU 24 2.510 -5.110 -9.437 187 HD22 LEU 24 HD22 LEU 24 2.738 -4.934 -7.703 188 HD23 LEU 24 HD23 LEU 24 2.726 -6.529 -8.434 189 H TYR 25 HN TYR 25 6.368 -2.728 -12.478 190 HA TYR 25 HA TYR 25 5.274 -0.130 -12.461 191 HB2 TYR 25 HB2 TYR 25 7.689 -0.752 -13.207 192 HB3 TYR 25 HB1 TYR 25 7.044 -1.232 -14.754 193 HD1 TYR 25 HD2 TYR 25 5.301 1.248 -15.416 194 HD2 TYR 25 HD1 TYR 25 9.207 0.892 -13.674 195 HE1 TYR 25 HE2 TYR 25 5.873 3.479 -16.216 196 HE2 TYR 25 HE1 TYR 25 9.763 3.123 -14.510 197 HH TYR 25 HH TYR 25 7.413 5.265 -15.800 198 H ASP 26 HN ASP 26 5.219 -2.528 -15.226 199 HA ASP 26 HA ASP 26 3.488 -1.170 -16.857 200 HB2 ASP 26 HB2 ASP 26 4.691 -3.823 -16.923 201 HB3 ASP 26 HB1 ASP 26 3.174 -3.672 -17.804 202 H ILE 27 HN ILE 27 2.296 -3.475 -14.367 203 HA ILE 27 HA ILE 27 -0.308 -3.297 -15.481 204 HB ILE 27 HB ILE 27 0.188 -4.233 -12.596 205 HG12 ILE 27 HG12 ILE 27 -0.251 -6.428 -14.447 206 HG13 ILE 27 HG11 ILE 27 1.136 -5.540 -15.035 207 HG21 ILE 27 HG21 ILE 27 -1.864 -5.512 -12.972 208 HG22 ILE 27 HG22 ILE 27 -1.999 -4.815 -14.581 209 HG23 ILE 27 HG23 ILE 27 -2.122 -3.791 -13.160 210 HD11 ILE 27 HD11 ILE 27 1.853 -7.368 -13.704 211 HD12 ILE 27 HD12 ILE 27 0.836 -6.909 -12.351 212 HD13 ILE 27 HD13 ILE 27 2.220 -5.900 -12.804 213 H PHE 28 HN PHE 28 1.163 -1.307 -12.727 214 HA PHE 28 HA PHE 28 -1.293 0.211 -12.580 215 HB2 PHE 28 HB2 PHE 28 1.374 0.438 -11.269 216 HB3 PHE 28 HB1 PHE 28 0.146 1.680 -11.091 217 HD1 PHE 28 HD2 PHE 28 0.454 -2.021 -10.693 218 HD2 PHE 28 HD1 PHE 28 -1.056 1.683 -9.243 219 HE1 PHE 28 HE2 PHE 28 -0.436 -3.165 -8.713 220 HE2 PHE 28 HE1 PHE 28 -1.928 0.567 -7.248 221 HZ PHE 28 HZ PHE 28 -1.630 -1.875 -6.973 222 H SER 29 HN SER 29 1.263 0.401 -14.934 223 HA SER 29 HA SER 29 1.383 3.288 -14.918 224 HB2 SER 29 HB2 SER 29 2.703 2.911 -17.150 225 HB3 SER 29 HB1 SER 29 3.503 2.612 -15.606 226 HG SER 29 HG SER 29 2.337 0.741 -17.426 227 H SER 30 HN SER 30 -1.002 1.301 -15.920 228 HA SER 30 HA SER 30 -1.543 2.302 -18.550 229 HB2 SER 30 HB2 SER 30 -3.711 1.024 -18.286 230 HB3 SER 30 HB1 SER 30 -2.249 0.045 -18.088 231 HG SER 30 HG SER 30 -2.771 -0.293 -16.045 232 H PHE 31 HN PHE 31 -3.129 3.017 -15.309 233 HA PHE 31 HA PHE 31 -4.193 5.430 -16.481 234 HB2 PHE 31 HB2 PHE 31 -4.372 4.123 -13.820 235 HB3 PHE 31 HB1 PHE 31 -4.567 5.868 -13.865 236 HD1 PHE 31 HD2 PHE 31 -5.754 3.080 -16.074 237 HD2 PHE 31 HD1 PHE 31 -6.766 6.431 -13.644 238 HE1 PHE 31 HE2 PHE 31 -8.129 2.793 -16.666 239 HE2 PHE 31 HE1 PHE 31 -9.138 6.142 -14.230 240 HZ PHE 31 HZ PHE 31 -9.821 4.324 -15.742 241 H GLY 32 HN GLY 32 -1.315 4.614 -14.613 242 HA2 GLY 32 HA2 GLY 32 -0.547 7.458 -14.515 243 HA3 GLY 32 HA1 GLY 32 -0.604 6.489 -13.063 244 H ASP 33 HN ASP 33 1.430 7.568 -15.479 245 HA ASP 33 HA ASP 33 3.518 5.650 -15.298 246 HB2 ASP 33 HB2 ASP 33 3.828 8.590 -15.978 247 HB3 ASP 33 HB1 ASP 33 5.120 7.410 -16.028 248 H ILE 34 HN ILE 34 5.856 6.335 -14.151 249 HA ILE 34 HA ILE 34 4.931 6.421 -11.343 250 HB ILE 34 HB ILE 34 6.651 4.262 -12.642 251 HG12 ILE 34 HG12 ILE 34 4.329 3.571 -12.881 252 HG13 ILE 34 HG11 ILE 34 5.033 2.644 -11.595 253 HG21 ILE 34 HG21 ILE 34 7.784 4.500 -10.664 254 HG22 ILE 34 HG22 ILE 34 6.762 3.095 -10.453 255 HG23 ILE 34 HG23 ILE 34 6.320 4.611 -9.708 256 HD11 ILE 34 HD11 ILE 34 2.724 4.142 -11.494 257 HD12 ILE 34 HD12 ILE 34 3.852 4.950 -10.435 258 HD13 ILE 34 HD13 ILE 34 3.517 3.248 -10.205 259 H ARG 35 HN ARG 35 6.340 7.369 -9.680 260 HA ARG 35 HA ARG 35 8.596 8.965 -10.586 261 HB2 ARG 35 HB2 ARG 35 6.897 9.084 -8.253 262 HB3 ARG 35 HB1 ARG 35 8.566 8.906 -7.686 263 HG2 ARG 35 HG2 ARG 35 7.324 11.205 -9.135 264 HG3 ARG 35 HG1 ARG 35 8.205 11.159 -7.641 265 HD2 ARG 35 HD2 ARG 35 10.308 10.811 -8.867 266 HD3 ARG 35 HD1 ARG 35 9.423 10.861 -10.396 267 HE ARG 35 HE ARG 35 8.830 13.157 -8.897 268 HH11 ARG 35 HH12 ARG 35 11.461 11.758 -10.751 269 HH12 ARG 35 HH11 ARG 35 12.133 13.288 -11.166 270 HH21 ARG 35 HH22 ARG 35 9.704 15.164 -9.474 271 HH22 ARG 35 HH21 ARG 35 11.136 15.234 -10.443 272 H ASN 36 HN ASN 36 8.552 6.092 -8.295 273 HA ASN 36 HA ASN 36 11.325 5.569 -8.563 274 HB2 ASN 36 HB2 ASN 36 11.366 7.752 -7.172 275 HB3 ASN 36 HB1 ASN 36 10.545 6.819 -5.903 276 HD21 ASN 36 HD21 ASN 36 12.094 6.674 -4.296 277 HD22 ASN 36 HD22 ASN 36 13.650 5.968 -4.563 278 H ILE 37 HN ILE 37 11.785 3.393 -6.956 279 HA ILE 37 HA ILE 37 9.193 2.310 -6.157 280 HB ILE 37 HB ILE 37 10.916 0.788 -8.160 281 HG12 ILE 37 HG12 ILE 37 8.719 2.696 -8.685 282 HG13 ILE 37 HG11 ILE 37 10.176 2.370 -9.595 283 HG21 ILE 37 HG21 ILE 37 8.995 -0.709 -8.531 284 HG22 ILE 37 HG22 ILE 37 8.188 0.025 -7.161 285 HG23 ILE 37 HG23 ILE 37 9.701 -0.814 -6.926 286 HD11 ILE 37 HD11 ILE 37 7.723 0.629 -9.554 287 HD12 ILE 37 HD12 ILE 37 9.216 0.331 -10.461 288 HD13 ILE 37 HD13 ILE 37 8.228 1.741 -10.840 289 H GLU 38 HN GLU 38 9.427 1.195 -4.210 290 HA GLU 38 HA GLU 38 12.086 -0.060 -3.778 291 HB2 GLU 38 HB2 GLU 38 11.992 1.998 -2.314 292 HB3 GLU 38 HB1 GLU 38 10.589 1.394 -1.505 293 HG2 GLU 38 HG2 GLU 38 12.289 -0.601 -0.934 294 HG3 GLU 38 HG1 GLU 38 13.438 0.698 -1.180 295 H VAL 39 HN VAL 39 11.798 -2.184 -3.999 296 HA VAL 39 HA VAL 39 9.623 -3.525 -2.504 297 HB VAL 39 HB VAL 39 10.305 -4.245 -5.408 298 HG11 VAL 39 HG11 VAL 39 8.482 -5.831 -5.377 299 HG12 VAL 39 HG12 VAL 39 8.059 -5.374 -3.734 300 HG13 VAL 39 HG13 VAL 39 9.586 -6.186 -4.048 301 HG21 VAL 39 HG21 VAL 39 7.882 -2.759 -4.434 302 HG22 VAL 39 HG22 VAL 39 7.849 -3.710 -5.898 303 HG23 VAL 39 HG23 VAL 39 8.949 -2.352 -5.765 304 HA PRO 40 HA PRO 40 13.775 -5.671 -1.727 305 HB2 PRO 40 HB2 PRO 40 12.661 -6.927 0.534 306 HB3 PRO 40 HB1 PRO 40 13.738 -5.523 0.549 307 HG2 PRO 40 HG2 PRO 40 10.820 -5.631 0.806 308 HG3 PRO 40 HG1 PRO 40 11.990 -4.515 1.523 309 HD2 PRO 40 HD2 PRO 40 10.455 -3.711 -0.525 310 HD3 PRO 40 HD1 PRO 40 12.110 -3.213 -0.335 311 H LEU 41 HN LEU 41 13.982 -7.554 -2.981 312 HA LEU 41 HA LEU 41 11.794 -9.564 -2.738 313 HB2 LEU 41 HB2 LEU 41 13.214 -8.720 -5.228 314 HB3 LEU 41 HB1 LEU 41 13.057 -10.433 -5.046 315 HG LEU 41 HG LEU 41 11.153 -10.107 -6.283 316 HD11 LEU 41 HD11 LEU 41 9.836 -9.024 -3.797 317 HD12 LEU 41 HD12 LEU 41 10.010 -10.727 -4.213 318 HD13 LEU 41 HD13 LEU 41 9.046 -9.671 -5.217 319 HD21 LEU 41 HD21 LEU 41 9.878 -8.051 -6.513 320 HD22 LEU 41 HD22 LEU 41 11.582 -7.829 -6.909 321 HD23 LEU 41 HD23 LEU 41 10.929 -7.259 -5.365 322 H ASN 42 HN ASN 42 12.575 -11.445 -1.625 323 HA ASN 42 HA ASN 42 15.318 -11.091 -0.720 324 HB2 ASN 42 HB2 ASN 42 13.863 -11.429 1.080 325 HB3 ASN 42 HB1 ASN 42 12.985 -12.734 0.365 326 HD21 ASN 42 HD21 ASN 42 13.214 -14.130 2.020 327 HD22 ASN 42 HD22 ASN 42 14.712 -14.716 2.635 328 H MET 43 HN MET 43 17.137 -12.449 -1.368 329 HA MET 43 HA MET 43 16.523 -13.533 -3.946 330 HB2 MET 43 HB2 MET 43 18.857 -12.390 -2.759 331 HB3 MET 43 HB1 MET 43 19.327 -13.998 -3.274 332 HG2 MET 43 HG2 MET 43 18.328 -13.319 -5.592 333 HG3 MET 43 HG1 MET 43 18.398 -11.667 -4.965 334 HE1 MET 43 HE1 MET 43 21.058 -11.724 -3.155 335 HE2 MET 43 HE2 MET 43 20.644 -10.422 -4.272 336 HE3 MET 43 HE3 MET 43 22.237 -11.171 -4.346 337 H THR 44 HN THR 44 16.259 -15.373 -1.145 338 HA THR 44 HA THR 44 17.453 -17.693 -2.455 339 HB THR 44 HB THR 44 16.210 -17.719 0.353 340 HG1 THR 44 HG1 THR 44 18.795 -17.107 -0.573 341 HG21 THR 44 HG21 THR 44 16.505 -19.992 -0.778 342 HG22 THR 44 HG22 THR 44 17.316 -19.752 0.768 343 HG23 THR 44 HG23 THR 44 18.248 -19.675 -0.723 344 H THR 45 HN THR 45 14.117 -16.901 -1.131 345 HA THR 45 HA THR 45 13.144 -18.665 -3.284 346 HB THR 45 HB THR 45 11.111 -19.116 -1.925 347 HG1 THR 45 HG1 THR 45 10.761 -17.620 -0.463 348 HG21 THR 45 HG21 THR 45 11.940 -20.685 -0.429 349 HG22 THR 45 HG22 THR 45 13.290 -19.672 0.045 350 HG23 THR 45 HG23 THR 45 13.334 -20.517 -1.500 351 H LYS 46 HN LYS 46 13.487 -15.517 -2.979 352 HA LYS 46 HA LYS 46 12.539 -13.613 -3.689 353 HB2 LYS 46 HB2 LYS 46 12.415 -14.904 -5.800 354 HB3 LYS 46 HB1 LYS 46 10.850 -15.535 -5.356 355 HG2 LYS 46 HG2 LYS 46 9.939 -13.911 -6.525 356 HG3 LYS 46 HG1 LYS 46 10.538 -12.740 -5.369 357 HD2 LYS 46 HD2 LYS 46 11.192 -11.985 -7.534 358 HD3 LYS 46 HD1 LYS 46 12.659 -12.609 -6.811 359 HE2 LYS 46 HE2 LYS 46 10.970 -14.300 -8.647 360 HE3 LYS 46 HE1 LYS 46 12.170 -13.170 -9.270 361 HZ1 LYS 46 HZ1 LYS 46 13.850 -14.361 -7.928 362 HZ2 LYS 46 HZ2 LYS 46 13.138 -15.322 -9.122 363 HZ3 LYS 46 HZ3 LYS 46 12.676 -15.506 -7.510 364 H LYS 47 HN LYS 47 11.835 -13.153 -1.563 365 HA LYS 47 HA LYS 47 8.905 -13.380 -1.126 366 HB2 LYS 47 HB2 LYS 47 11.112 -13.649 0.989 367 HB3 LYS 47 HB1 LYS 47 9.441 -13.407 1.407 368 HG2 LYS 47 HG2 LYS 47 10.873 -15.909 0.606 369 HG3 LYS 47 HG1 LYS 47 9.616 -15.631 1.802 370 HD2 LYS 47 HD2 LYS 47 9.028 -15.573 -1.158 371 HD3 LYS 47 HD1 LYS 47 8.968 -17.050 -0.198 372 HE2 LYS 47 HE2 LYS 47 7.345 -15.852 1.328 373 HE3 LYS 47 HE1 LYS 47 7.271 -14.582 0.106 374 HZ1 LYS 47 HZ1 LYS 47 6.544 -16.270 -1.506 375 HZ2 LYS 47 HZ2 LYS 47 5.468 -16.136 -0.208 376 HZ3 LYS 47 HZ3 LYS 47 6.543 -17.441 -0.287 377 H ASN 48 HN ASN 48 7.901 -11.401 -0.574 378 HA ASN 48 HA ASN 48 9.713 -9.095 -0.681 379 HB2 ASN 48 HB2 ASN 48 7.630 -7.695 -0.736 380 HB3 ASN 48 HB1 ASN 48 7.903 -8.741 -2.128 381 HD21 ASN 48 HD21 ASN 48 6.494 -10.561 -2.411 382 HD22 ASN 48 HD22 ASN 48 5.028 -10.705 -1.502 383 H ARG 49 HN ARG 49 8.853 -10.988 1.776 384 HA ARG 49 HA ARG 49 8.129 -10.854 3.921 385 HB2 ARG 49 HB2 ARG 49 9.628 -9.190 5.316 386 HB3 ARG 49 HB1 ARG 49 10.303 -10.638 4.619 387 HG2 ARG 49 HG2 ARG 49 11.088 -9.150 2.689 388 HG3 ARG 49 HG1 ARG 49 10.694 -7.779 3.733 389 HD2 ARG 49 HD2 ARG 49 12.275 -8.697 5.425 390 HD3 ARG 49 HD1 ARG 49 12.676 -10.001 4.320 391 HE ARG 49 HE ARG 49 13.159 -7.800 2.837 392 HH11 ARG 49 HH12 ARG 49 14.247 -8.789 6.031 393 HH12 ARG 49 HH11 ARG 49 15.769 -7.969 5.903 394 HH21 ARG 49 HH22 ARG 49 15.204 -6.764 2.668 395 HH22 ARG 49 HH21 ARG 49 16.308 -6.822 3.992 396 H GLY 50 HN GLY 50 6.026 -9.811 2.887 397 HA2 GLY 50 HA2 GLY 50 4.145 -8.995 3.872 398 HA3 GLY 50 HA1 GLY 50 5.134 -8.265 5.099 399 H PHE 51 HN PHE 51 6.170 -6.883 2.054 400 HA PHE 51 HA PHE 51 4.309 -4.764 2.292 401 HB2 PHE 51 HB2 PHE 51 5.278 -3.204 3.795 402 HB3 PHE 51 HB1 PHE 51 5.467 -4.764 4.561 403 HD1 PHE 51 HD1 PHE 51 7.756 -5.726 4.899 404 HD2 PHE 51 HD2 PHE 51 7.183 -1.812 3.262 405 HE1 PHE 51 HE1 PHE 51 10.113 -5.201 5.276 406 HE2 PHE 51 HE2 PHE 51 9.535 -1.314 3.663 407 HZ PHE 51 HZ PHE 51 11.008 -3.015 4.653 408 H ALA 52 HN ALA 52 4.408 -3.541 0.218 409 HA ALA 52 HA ALA 52 7.142 -2.772 -0.690 410 HB1 ALA 52 HB1 ALA 52 6.203 -2.786 -3.043 411 HB2 ALA 52 HB2 ALA 52 4.734 -3.518 -2.419 412 HB3 ALA 52 HB3 ALA 52 6.256 -4.384 -2.320 413 H PHE 53 HN PHE 53 7.505 -0.644 -1.262 414 HA PHE 53 HA PHE 53 5.321 1.272 -0.879 415 HB2 PHE 53 HB2 PHE 53 8.283 1.817 -0.995 416 HB3 PHE 53 HB1 PHE 53 7.036 3.017 -0.653 417 HD1 PHE 53 HD2 PHE 53 5.358 1.730 1.438 418 HD2 PHE 53 HD1 PHE 53 9.554 1.545 0.783 419 HE1 PHE 53 HE2 PHE 53 5.729 1.131 3.809 420 HE2 PHE 53 HE1 PHE 53 9.934 0.982 3.075 421 HZ PHE 53 HZ PHE 53 8.019 0.771 4.633 422 H VAL 54 HN VAL 54 4.594 2.832 -2.549 423 HA VAL 54 HA VAL 54 5.989 2.798 -5.128 424 HB VAL 54 HB VAL 54 3.030 1.961 -4.974 425 HG11 VAL 54 HG11 VAL 54 2.580 2.203 -7.219 426 HG12 VAL 54 HG12 VAL 54 4.239 2.572 -7.636 427 HG13 VAL 54 HG13 VAL 54 3.259 3.760 -6.764 428 HG21 VAL 54 HG21 VAL 54 5.233 0.730 -6.548 429 HG22 VAL 54 HG22 VAL 54 3.557 0.258 -6.536 430 HG23 VAL 54 HG23 VAL 54 4.512 0.092 -5.086 431 H GLU 55 HN GLU 55 6.425 5.159 -5.404 432 HA GLU 55 HA GLU 55 4.325 7.075 -4.781 433 HB2 GLU 55 HB2 GLU 55 7.169 6.969 -5.187 434 HB3 GLU 55 HB1 GLU 55 6.521 8.296 -6.129 435 HG2 GLU 55 HG2 GLU 55 7.541 8.733 -3.881 436 HG3 GLU 55 HG1 GLU 55 6.033 9.486 -4.180 437 H TYR 56 HN TYR 56 2.823 7.946 -6.402 438 HA TYR 56 HA TYR 56 3.067 7.250 -9.215 439 HB2 TYR 56 HB2 TYR 56 0.953 8.207 -7.475 440 HB3 TYR 56 HB1 TYR 56 1.015 9.178 -8.946 441 HD1 TYR 56 HD1 TYR 56 1.323 5.437 -8.314 442 HD2 TYR 56 HD2 TYR 56 -0.598 8.636 -10.355 443 HE1 TYR 56 HE1 TYR 56 -0.216 3.843 -9.365 444 HE2 TYR 56 HE2 TYR 56 -2.066 7.060 -11.444 445 HH TYR 56 HH TYR 56 -2.109 4.681 -12.051 446 H VAL 57 HN VAL 57 2.635 9.151 -11.076 447 HA VAL 57 HA VAL 57 4.086 11.619 -10.454 448 HB VAL 57 HB VAL 57 3.232 10.451 -13.124 449 HG11 VAL 57 HG11 VAL 57 3.690 13.412 -12.776 450 HG12 VAL 57 HG12 VAL 57 2.439 12.586 -13.719 451 HG13 VAL 57 HG13 VAL 57 4.104 12.574 -14.258 452 HG21 VAL 57 HG21 VAL 57 5.448 10.969 -13.840 453 HG22 VAL 57 HG22 VAL 57 5.533 10.136 -12.311 454 HG23 VAL 57 HG23 VAL 57 5.764 11.874 -12.379 455 H GLU 58 HN GLU 58 0.602 10.808 -10.833 456 HA GLU 58 HA GLU 58 0.076 13.654 -11.161 457 HB2 GLU 58 HB2 GLU 58 -2.144 12.642 -12.307 458 HB3 GLU 58 HB1 GLU 58 -0.778 13.121 -13.217 459 HG2 GLU 58 HG2 GLU 58 -1.188 10.279 -12.321 460 HG3 GLU 58 HG1 GLU 58 -1.879 10.938 -13.799 461 H VAL 59 HN VAL 59 -1.341 14.629 -9.492 462 HA VAL 59 HA VAL 59 -1.891 12.806 -7.402 463 HB VAL 59 HB VAL 59 -1.615 14.405 -6.030 464 HG11 VAL 59 HG11 VAL 59 -1.332 16.487 -8.125 465 HG12 VAL 59 HG12 VAL 59 -0.064 15.394 -7.549 466 HG13 VAL 59 HG13 VAL 59 -0.782 16.562 -6.460 467 HG21 VAL 59 HG21 VAL 59 -2.838 16.400 -5.551 468 HG22 VAL 59 HG22 VAL 59 -3.947 15.082 -5.849 469 HG23 VAL 59 HG23 VAL 59 -3.676 16.306 -7.083 470 H ASP 60 HN ASP 60 -4.273 14.154 -9.729 471 HA ASP 60 HA ASP 60 -6.564 13.280 -8.177 472 HB2 ASP 60 HB2 ASP 60 -6.924 14.902 -9.964 473 HB3 ASP 60 HB1 ASP 60 -6.512 13.691 -11.180 474 H ASP 61 HN ASP 61 -5.240 11.746 -11.102 475 HA ASP 61 HA ASP 61 -6.403 9.350 -11.139 476 HB2 ASP 61 HB2 ASP 61 -3.469 9.713 -11.858 477 HB3 ASP 61 HB1 ASP 61 -4.520 8.398 -12.384 478 H ALA 62 HN ALA 62 -3.498 9.837 -9.025 479 HA ALA 62 HA ALA 62 -3.165 7.512 -7.770 480 HB1 ALA 62 HB1 ALA 62 -2.028 9.593 -7.080 481 HB2 ALA 62 HB2 ALA 62 -2.575 8.644 -5.732 482 HB3 ALA 62 HB3 ALA 62 -3.461 10.077 -6.196 483 H LYS 63 HN LYS 63 -5.550 9.795 -6.460 484 HA LYS 63 HA LYS 63 -6.988 8.298 -4.663 485 HB2 LYS 63 HB2 LYS 63 -8.042 10.486 -6.489 486 HB3 LYS 63 HB1 LYS 63 -9.135 9.562 -5.499 487 HG2 LYS 63 HG2 LYS 63 -8.737 11.524 -4.297 488 HG3 LYS 63 HG1 LYS 63 -7.817 10.289 -3.464 489 HD2 LYS 63 HD2 LYS 63 -5.741 11.189 -4.282 490 HD3 LYS 63 HD1 LYS 63 -6.578 12.238 -5.420 491 HE2 LYS 63 HE2 LYS 63 -7.035 12.438 -2.474 492 HE3 LYS 63 HE1 LYS 63 -5.711 13.279 -3.265 493 HZ1 LYS 63 HZ1 LYS 63 -7.642 14.688 -3.071 494 HZ2 LYS 63 HZ2 LYS 63 -8.591 13.574 -3.915 495 HZ3 LYS 63 HZ3 LYS 63 -7.327 14.375 -4.703 496 H HIS 64 HN HIS 64 -8.037 8.426 -8.104 497 HA HIS 64 HA HIS 64 -9.973 6.438 -7.735 498 HB2 HIS 64 HB2 HIS 64 -8.940 7.314 -10.452 499 HB3 HIS 64 HB1 HIS 64 -10.263 6.219 -10.157 500 HD1 HIS 64 HD1 HIS 64 -9.359 9.857 -9.814 501 HD2 HIS 64 HD2 HIS 64 -12.650 7.346 -9.349 502 HE1 HIS 64 HE1 HIS 64 -11.336 11.379 -9.478 503 HE2 HIS 64 HE2 HIS 64 -13.318 9.832 -9.341 504 H ALA 65 HN ALA 65 -6.536 5.872 -8.669 505 HA ALA 65 HA ALA 65 -7.023 3.128 -9.175 506 HB1 ALA 65 HB1 ALA 65 -4.985 3.988 -10.019 507 HB2 ALA 65 HB2 ALA 65 -4.630 2.681 -8.904 508 HB3 ALA 65 HB3 ALA 65 -4.371 4.349 -8.406 509 H LEU 66 HN LEU 66 -5.868 4.520 -5.984 510 HA LEU 66 HA LEU 66 -5.858 2.022 -4.799 511 HB2 LEU 66 HB2 LEU 66 -4.745 2.917 -3.140 512 HB3 LEU 66 HB1 LEU 66 -4.988 4.487 -3.808 513 HG LEU 66 HG LEU 66 -7.015 4.703 -2.159 514 HD11 LEU 66 HD11 LEU 66 -7.144 3.341 -0.270 515 HD12 LEU 66 HD12 LEU 66 -5.638 2.521 -0.643 516 HD13 LEU 66 HD13 LEU 66 -7.073 2.200 -1.610 517 HD21 LEU 66 HD21 LEU 66 -5.377 4.862 -0.136 518 HD22 LEU 66 HD22 LEU 66 -5.183 5.971 -1.489 519 HD23 LEU 66 HD23 LEU 66 -4.137 4.574 -1.354 520 H TYR 67 HN TYR 67 -8.758 4.185 -4.836 521 HA TYR 67 HA TYR 67 -10.369 2.455 -3.385 522 HB2 TYR 67 HB2 TYR 67 -10.840 4.762 -4.596 523 HB3 TYR 67 HB1 TYR 67 -11.482 3.713 -5.856 524 HD1 TYR 67 HD1 TYR 67 -13.489 2.336 -5.401 525 HD2 TYR 67 HD2 TYR 67 -11.928 5.050 -2.497 526 HE1 TYR 67 HE1 TYR 67 -15.570 2.160 -4.101 527 HE2 TYR 67 HE2 TYR 67 -13.991 4.860 -1.206 528 HH TYR 67 HH TYR 67 -16.249 2.476 -1.671 529 H ASN 68 HN ASN 68 -9.741 2.219 -6.925 530 HA ASN 68 HA ASN 68 -11.129 -0.248 -7.245 531 HB2 ASN 68 HB2 ASN 68 -10.484 1.370 -9.167 532 HB3 ASN 68 HB1 ASN 68 -8.899 0.592 -9.170 533 HD21 ASN 68 HD21 ASN 68 -8.672 -1.435 -10.002 534 HD22 ASN 68 HD22 ASN 68 -9.930 -2.252 -10.855 535 H MET 69 HN MET 69 -8.197 0.036 -5.510 536 HA MET 69 HA MET 69 -7.034 -2.336 -6.800 537 HB2 MET 69 HB2 MET 69 -5.758 0.007 -5.430 538 HB3 MET 69 HB1 MET 69 -4.912 -1.527 -5.392 539 HG2 MET 69 HG2 MET 69 -5.529 0.247 -7.748 540 HG3 MET 69 HG1 MET 69 -4.004 -0.441 -7.218 541 HE1 MET 69 HE1 MET 69 -3.475 -1.003 -9.789 542 HE2 MET 69 HE2 MET 69 -5.057 -0.395 -10.285 543 HE3 MET 69 HE3 MET 69 -4.530 -1.997 -10.798 544 H ASN 70 HN ASN 70 -8.757 -1.464 -4.024 545 HA ASN 70 HA ASN 70 -7.583 -3.195 -2.103 546 HB2 ASN 70 HB2 ASN 70 -9.295 -2.530 -0.650 547 HB3 ASN 70 HB1 ASN 70 -9.300 -1.173 -1.741 548 HD21 ASN 70 HD21 ASN 70 -11.100 -0.908 -3.111 549 HD22 ASN 70 HD22 ASN 70 -12.580 -1.755 -2.812 550 H ASN 71 HN ASN 71 -10.413 -3.698 -4.327 551 HA ASN 71 HA ASN 71 -10.427 -6.512 -3.589 552 HB2 ASN 71 HB2 ASN 71 -12.503 -6.613 -4.986 553 HB3 ASN 71 HB1 ASN 71 -12.530 -5.503 -3.634 554 HD21 ASN 71 HD21 ASN 71 -10.855 -4.430 -6.613 555 HD22 ASN 71 HD22 ASN 71 -12.109 -3.337 -7.071 556 H PHE 72 HN PHE 72 -8.380 -5.225 -5.516 557 HA PHE 72 HA PHE 72 -8.670 -6.905 -7.861 558 HB2 PHE 72 HB2 PHE 72 -7.987 -4.781 -8.553 559 HB3 PHE 72 HB1 PHE 72 -6.953 -4.519 -7.170 560 HD1 PHE 72 HD1 PHE 72 -7.213 -5.938 -10.532 561 HD2 PHE 72 HD2 PHE 72 -4.644 -5.236 -7.216 562 HE1 PHE 72 HE1 PHE 72 -5.246 -6.351 -11.967 563 HE2 PHE 72 HE2 PHE 72 -2.681 -5.658 -8.631 564 HZ PHE 72 HZ PHE 72 -2.982 -6.219 -11.013 565 H GLU 73 HN GLU 73 -7.495 -8.895 -8.099 566 HA GLU 73 HA GLU 73 -5.643 -9.496 -5.930 567 HB2 GLU 73 HB2 GLU 73 -6.310 -11.769 -5.987 568 HB3 GLU 73 HB1 GLU 73 -7.788 -10.852 -6.024 569 HG2 GLU 73 HG2 GLU 73 -6.526 -12.110 -8.482 570 HG3 GLU 73 HG1 GLU 73 -7.743 -12.850 -7.503 571 H LEU 74 HN LEU 74 -3.683 -10.810 -6.409 572 HA LEU 74 HA LEU 74 -2.916 -10.755 -9.255 573 HB2 LEU 74 HB2 LEU 74 -1.486 -9.601 -6.883 574 HB3 LEU 74 HB1 LEU 74 -0.461 -10.396 -8.049 575 HG LEU 74 HG LEU 74 -2.338 -8.089 -8.723 576 HD11 LEU 74 HD11 LEU 74 -0.730 -7.329 -7.097 577 HD12 LEU 74 HD12 LEU 74 -0.320 -6.678 -8.686 578 HD13 LEU 74 HD13 LEU 74 0.587 -8.038 -8.029 579 HD21 LEU 74 HD21 LEU 74 -0.016 -9.261 -10.298 580 HD22 LEU 74 HD22 LEU 74 -0.753 -7.703 -10.629 581 HD23 LEU 74 HD23 LEU 74 -1.707 -9.158 -10.806 582 H ASN 75 HN ASN 75 -3.190 -13.188 -9.649 583 HA ASN 75 HA ASN 75 -2.583 -15.414 -9.548 584 HB2 ASN 75 HB2 ASN 75 0.016 -14.288 -8.396 585 HB3 ASN 75 HB1 ASN 75 -0.222 -15.953 -8.888 586 HD21 ASN 75 HD21 ASN 75 1.742 -14.004 -9.830 587 HD22 ASN 75 HD22 ASN 75 1.484 -13.856 -11.536 588 H GLY 76 HN GLY 76 -4.399 -15.275 -7.673 589 HA2 GLY 76 HA2 GLY 76 -5.220 -16.365 -5.863 590 HA3 GLY 76 HA1 GLY 76 -3.727 -17.259 -5.836 591 H LYS 77 HN LYS 77 -3.517 -13.846 -5.340 592 HA LYS 77 HA LYS 77 -3.449 -14.169 -2.470 593 HB2 LYS 77 HB2 LYS 77 -1.132 -14.409 -3.017 594 HB3 LYS 77 HB1 LYS 77 -1.147 -13.100 -4.163 595 HG2 LYS 77 HG2 LYS 77 -0.739 -11.542 -2.653 596 HG3 LYS 77 HG1 LYS 77 -1.730 -12.260 -1.394 597 HD2 LYS 77 HD2 LYS 77 0.998 -13.262 -2.255 598 HD3 LYS 77 HD1 LYS 77 0.727 -12.206 -0.879 599 HE2 LYS 77 HE2 LYS 77 -0.511 -14.000 0.259 600 HE3 LYS 77 HE1 LYS 77 -0.279 -15.055 -1.138 601 HZ1 LYS 77 HZ1 LYS 77 2.128 -14.801 -0.791 602 HZ2 LYS 77 HZ2 LYS 77 1.342 -15.545 0.504 603 HZ3 LYS 77 HZ3 LYS 77 1.814 -13.927 0.623 604 H ARG 78 HN ARG 78 -3.807 -12.108 -1.268 605 HA ARG 78 HA ARG 78 -5.213 -10.090 -2.904 606 HB2 ARG 78 HB2 ARG 78 -6.596 -11.097 -1.047 607 HB3 ARG 78 HB1 ARG 78 -5.409 -10.581 0.136 608 HG2 ARG 78 HG2 ARG 78 -7.001 -9.009 0.446 609 HG3 ARG 78 HG1 ARG 78 -6.023 -8.161 -0.746 610 HD2 ARG 78 HD2 ARG 78 -8.267 -7.898 -1.440 611 HD3 ARG 78 HD1 ARG 78 -7.616 -9.154 -2.487 612 HE ARG 78 HE ARG 78 -8.698 -10.733 -0.786 613 HH11 ARG 78 HH12 ARG 78 -10.052 -7.610 -1.687 614 HH12 ARG 78 HH11 ARG 78 -11.678 -8.088 -1.350 615 HH21 ARG 78 HH21 ARG 78 -10.843 -11.330 -0.329 616 HH22 ARG 78 HH22 ARG 78 -12.129 -10.203 -0.578 617 H ILE 79 HN ILE 79 -4.450 -7.757 -2.700 618 HA ILE 79 HA ILE 79 -1.982 -7.424 -1.096 619 HB ILE 79 HB ILE 79 -2.056 -5.040 -2.293 620 HG12 ILE 79 HG12 ILE 79 -3.311 -6.736 -4.484 621 HG13 ILE 79 HG11 ILE 79 -4.179 -5.468 -3.596 622 HG21 ILE 79 HG21 ILE 79 -0.724 -5.991 -4.210 623 HG22 ILE 79 HG22 ILE 79 -1.020 -7.560 -3.489 624 HG23 ILE 79 HG23 ILE 79 -0.151 -6.325 -2.591 625 HD11 ILE 79 HD11 ILE 79 -3.341 -4.671 -5.763 626 HD12 ILE 79 HD12 ILE 79 -1.703 -5.081 -5.263 627 HD13 ILE 79 HD13 ILE 79 -2.590 -3.805 -4.423 628 H HIS 80 HN HIS 80 -1.822 -6.008 0.664 629 HA HIS 80 HA HIS 80 -4.430 -4.771 1.374 630 HB2 HIS 80 HB2 HIS 80 -3.501 -6.048 3.255 631 HB3 HIS 80 HB1 HIS 80 -1.985 -5.162 3.232 632 HD1 HIS 80 HD1 HIS 80 -5.623 -4.704 4.080 633 HD2 HIS 80 HD2 HIS 80 -1.951 -2.908 4.755 634 HE1 HIS 80 HE1 HIS 80 -6.044 -2.963 5.832 635 HE2 HIS 80 HE2 HIS 80 -3.758 -2.041 6.380 636 H VAL 81 HN VAL 81 -4.756 -2.607 0.840 637 HA VAL 81 HA VAL 81 -2.405 -1.126 -0.067 638 HB VAL 81 HB VAL 81 -5.231 -1.264 -1.253 639 HG11 VAL 81 HG11 VAL 81 -4.623 0.123 -3.101 640 HG12 VAL 81 HG12 VAL 81 -3.088 0.512 -2.368 641 HG13 VAL 81 HG13 VAL 81 -4.586 1.012 -1.592 642 HG21 VAL 81 HG21 VAL 81 -3.692 -3.131 -1.936 643 HG22 VAL 81 HG22 VAL 81 -2.690 -1.921 -2.721 644 HG23 VAL 81 HG23 VAL 81 -4.331 -2.172 -3.253 645 H ASN 82 HN ASN 82 -1.960 0.856 1.216 646 HA ASN 82 HA ASN 82 -4.339 2.419 2.132 647 HB2 ASN 82 HB2 ASN 82 -3.861 0.733 3.982 648 HB3 ASN 82 HB1 ASN 82 -2.328 1.575 4.268 649 HD21 ASN 82 HD21 ASN 82 -2.362 3.243 5.632 650 HD22 ASN 82 HD22 ASN 82 -3.797 4.041 6.179 651 H TYR 83 HN TYR 83 -3.378 4.515 3.526 652 HA TYR 83 HA TYR 83 -1.617 5.781 1.594 653 HB2 TYR 83 HB2 TYR 83 -3.335 7.342 2.149 654 HB3 TYR 83 HB1 TYR 83 -3.317 6.912 3.862 655 HD1 TYR 83 HD1 TYR 83 -1.326 8.695 1.225 656 HD2 TYR 83 HD2 TYR 83 -2.211 8.346 5.381 657 HE1 TYR 83 HE1 TYR 83 -0.018 10.699 1.664 658 HE2 TYR 83 HE2 TYR 83 -0.899 10.384 5.814 659 HH TYR 83 HH TYR 83 1.056 11.578 4.660 660 H SER 84 HN SER 84 0.554 7.158 2.525 661 HA SER 84 HA SER 84 1.649 5.597 4.769 662 HB2 SER 84 HB2 SER 84 3.135 5.900 2.129 663 HB3 SER 84 HB1 SER 84 3.852 5.311 3.617 664 HG SER 84 HG SER 84 2.349 3.995 1.814 665 H LYS 85 HN LYS 85 4.115 6.435 5.050 666 HA LYS 85 HA LYS 85 3.850 9.373 5.362 667 HB2 LYS 85 HB2 LYS 85 4.007 7.918 7.598 668 HB3 LYS 85 HB1 LYS 85 5.727 7.798 7.211 669 HG2 LYS 85 HG2 LYS 85 6.113 10.029 7.606 670 HG3 LYS 85 HG1 LYS 85 4.417 10.490 7.398 671 HD2 LYS 85 HD2 LYS 85 4.003 8.968 9.472 672 HD3 LYS 85 HD1 LYS 85 5.741 9.110 9.724 673 HE2 LYS 85 HE2 LYS 85 5.606 11.433 10.048 674 HE3 LYS 85 HE1 LYS 85 3.975 11.514 9.381 675 HZ1 LYS 85 HZ1 LYS 85 3.829 11.650 11.737 676 HZ2 LYS 85 HZ2 LYS 85 4.781 10.269 11.936 677 HZ3 LYS 85 HZ3 LYS 85 3.239 10.136 11.271 678 H THR 86 HN THR 86 5.910 10.691 4.946 679 HA THR 86 HA THR 86 7.852 9.115 3.387 680 HB THR 86 HB THR 86 7.997 11.350 1.946 681 HG1 THR 86 HG1 THR 86 5.847 12.181 1.609 682 HG21 THR 86 HG21 THR 86 7.592 9.271 0.828 683 HG22 THR 86 HG22 THR 86 6.349 10.403 0.288 684 HG23 THR 86 HG23 THR 86 5.952 9.166 1.474 Start of MODEL 8 1 H1 GLY -2 HT1 GLY -2 -17.358 -8.056 -2.137 2 H2 GLY -2 HT2 GLY -2 -15.749 -8.482 -2.441 3 H3 GLY -2 HT3 GLY -2 -16.647 -7.678 -3.627 4 HA2 GLY -2 HA1 GLY -2 -15.105 -6.172 -2.541 5 HA3 GLY -2 HA2 GLY -2 -16.779 -5.705 -2.277 6 H SER -1 HN SER -1 -13.993 -5.671 -0.776 7 HA SER -1 HA SER -1 -15.153 -5.684 1.858 8 HB2 SER -1 HB2 SER -1 -13.482 -7.274 2.822 9 HB3 SER -1 HB1 SER -1 -14.608 -8.064 1.718 10 HG SER -1 HG SER -1 -12.642 -7.306 0.209 11 H HIS 0 HN HIS 0 -13.578 -4.908 3.478 12 HA HIS 0 HA HIS 0 -12.115 -3.397 4.259 13 HB2 HIS 0 HB2 HIS 0 -10.305 -4.724 3.398 14 HB3 HIS 0 HB1 HIS 0 -10.542 -4.106 1.771 15 HD1 HIS 0 HD1 HIS 0 -9.727 -2.498 5.167 16 HD2 HIS 0 HD2 HIS 0 -8.635 -2.324 1.156 17 HE1 HIS 0 HE1 HIS 0 -7.928 -0.747 5.018 18 HE2 HIS 0 HE2 HIS 0 -7.313 -0.627 2.578 19 H MET 1 HN MET 1 -13.259 -1.651 4.418 20 HA MET 1 HA MET 1 -13.869 0.050 2.189 21 HB2 MET 1 HB2 MET 1 -14.419 0.128 5.162 22 HB3 MET 1 HB1 MET 1 -14.558 1.622 4.223 23 HG2 MET 1 HG2 MET 1 -16.150 -0.930 3.903 24 HG3 MET 1 HG1 MET 1 -16.711 0.681 4.342 25 HE1 MET 1 HE1 MET 1 -18.602 -0.041 2.430 26 HE2 MET 1 HE2 MET 1 -17.692 -1.412 1.788 27 HE3 MET 1 HE3 MET 1 -18.220 -0.122 0.710 28 H SER 2 HN SER 2 -12.452 1.249 1.201 29 HA SER 2 HA SER 2 -10.123 2.284 2.602 30 HB2 SER 2 HB2 SER 2 -10.922 2.419 -0.321 31 HB3 SER 2 HB1 SER 2 -9.333 2.831 0.329 32 HG SER 2 HG SER 2 -10.561 0.282 0.548 33 H ASP 3 HN ASP 3 -10.329 4.223 3.570 34 HA ASP 3 HA ASP 3 -11.487 6.410 2.016 35 HB2 ASP 3 HB2 ASP 3 -13.185 5.636 3.703 36 HB3 ASP 3 HB1 ASP 3 -12.041 6.065 4.970 37 H ASN 4 HN ASN 4 -9.560 7.475 1.620 38 HA ASN 4 HA ASN 4 -7.914 8.272 3.828 39 HB2 ASN 4 HB2 ASN 4 -5.797 7.176 2.837 40 HB3 ASN 4 HB1 ASN 4 -6.882 6.187 3.796 41 HD21 ASN 4 HD21 ASN 4 -7.533 7.020 0.406 42 HD22 ASN 4 HD22 ASN 4 -7.273 5.414 -0.191 43 H ASN 5 HN ASN 5 -6.458 9.848 3.428 44 HA ASN 5 HA ASN 5 -7.027 11.419 1.057 45 HB2 ASN 5 HB2 ASN 5 -5.476 12.090 3.583 46 HB3 ASN 5 HB1 ASN 5 -5.771 13.239 2.286 47 HD21 ASN 5 HD21 ASN 5 -6.608 13.232 5.113 48 HD22 ASN 5 HD22 ASN 5 -8.330 13.386 5.092 49 H ALA 6 HN ALA 6 -5.177 9.114 0.654 50 HA ALA 6 HA ALA 6 -2.457 9.782 0.616 51 HB1 ALA 6 HB1 ALA 6 -3.767 7.895 -1.347 52 HB2 ALA 6 HB2 ALA 6 -3.239 7.437 0.269 53 HB3 ALA 6 HB3 ALA 6 -2.066 7.955 -0.923 54 H THR 7 HN THR 7 -1.859 11.759 -0.259 55 HA THR 7 HA THR 7 -2.265 12.005 -3.146 56 HB THR 7 HB THR 7 -2.620 14.083 -2.065 57 HG1 THR 7 HG1 THR 7 0.006 14.268 -3.174 58 HG21 THR 7 HG21 THR 7 0.053 13.694 -0.732 59 HG22 THR 7 HG22 THR 7 -1.519 13.937 0.039 60 HG23 THR 7 HG23 THR 7 -0.743 15.258 -0.834 61 H ASP 8 HN ASP 8 -0.716 11.394 -4.579 62 HA ASP 8 HA ASP 8 1.059 10.598 -5.573 63 HB2 ASP 8 HB2 ASP 8 2.687 12.295 -5.868 64 HB3 ASP 8 HB1 ASP 8 1.383 13.158 -5.137 65 H ILE 9 HN ILE 9 0.699 9.423 -2.597 66 HA ILE 9 HA ILE 9 3.115 7.802 -2.592 67 HB ILE 9 HB ILE 9 2.226 9.150 -0.009 68 HG12 ILE 9 HG12 ILE 9 4.722 9.720 -1.658 69 HG13 ILE 9 HG11 ILE 9 3.299 10.688 -1.707 70 HG21 ILE 9 HG21 ILE 9 4.034 8.073 1.069 71 HG22 ILE 9 HG22 ILE 9 4.779 7.594 -0.440 72 HG23 ILE 9 HG23 ILE 9 3.291 6.818 0.102 73 HD11 ILE 9 HD11 ILE 9 4.934 11.818 -0.471 74 HD12 ILE 9 HD12 ILE 9 5.232 10.439 0.567 75 HD13 ILE 9 HD13 ILE 9 3.690 11.304 0.661 76 H LEU 10 HN LEU 10 2.632 5.682 -2.592 77 HA LEU 10 HA LEU 10 -0.066 4.911 -1.594 78 HB2 LEU 10 HB2 LEU 10 1.098 4.824 -4.306 79 HB3 LEU 10 HB1 LEU 10 0.412 3.287 -3.824 80 HG LEU 10 HG LEU 10 -1.058 5.011 -5.189 81 HD11 LEU 10 HD11 LEU 10 -2.986 4.050 -4.258 82 HD12 LEU 10 HD12 LEU 10 -2.093 3.512 -2.851 83 HD13 LEU 10 HD13 LEU 10 -1.708 2.875 -4.454 84 HD21 LEU 10 HD21 LEU 10 -1.816 5.986 -2.401 85 HD22 LEU 10 HD22 LEU 10 -2.413 6.541 -3.940 86 HD23 LEU 10 HD23 LEU 10 -0.777 6.937 -3.459 87 H PHE 11 HN PHE 11 0.064 3.231 -0.026 88 HA PHE 11 HA PHE 11 2.304 1.419 0.035 89 HB2 PHE 11 HB2 PHE 11 1.771 2.146 2.159 90 HB3 PHE 11 HB1 PHE 11 0.053 2.146 1.874 91 HD1 PHE 11 HD1 PHE 11 -1.134 -0.247 1.977 92 HD2 PHE 11 HD2 PHE 11 2.732 0.647 3.604 93 HE1 PHE 11 HE1 PHE 11 -1.398 -2.034 3.608 94 HE2 PHE 11 HE2 PHE 11 2.444 -1.179 5.202 95 HZ PHE 11 HZ PHE 11 0.400 -2.535 5.199 96 H VAL 12 HN VAL 12 2.307 -0.723 -0.403 97 HA VAL 12 HA VAL 12 -0.169 -1.987 -1.393 98 HB VAL 12 HB VAL 12 2.518 -2.507 -2.775 99 HG11 VAL 12 HG11 VAL 12 -0.051 -3.890 -3.501 100 HG12 VAL 12 HG12 VAL 12 1.263 -4.634 -2.599 101 HG13 VAL 12 HG13 VAL 12 1.525 -4.092 -4.249 102 HG21 VAL 12 HG21 VAL 12 1.169 -0.463 -3.628 103 HG22 VAL 12 HG22 VAL 12 0.022 -1.646 -4.236 104 HG23 VAL 12 HG23 VAL 12 1.678 -1.671 -4.788 105 H GLY 13 HN GLY 13 -0.233 -4.563 -0.970 106 HA2 GLY 13 HA2 GLY 13 0.892 -5.020 1.702 107 HA3 GLY 13 HA1 GLY 13 -0.413 -5.927 0.962 108 H GLY 14 HN GLY 14 0.861 -7.762 1.770 109 HA2 GLY 14 HA2 GLY 14 3.186 -8.564 0.508 110 HA3 GLY 14 HA1 GLY 14 2.008 -9.643 1.161 111 H ILE 15 HN ILE 15 3.708 -9.084 -1.543 112 HA ILE 15 HA ILE 15 1.538 -9.813 -3.351 113 HB ILE 15 HB ILE 15 3.823 -9.464 -4.948 114 HG12 ILE 15 HG12 ILE 15 4.165 -7.789 -2.644 115 HG13 ILE 15 HG11 ILE 15 5.132 -7.821 -4.093 116 HG21 ILE 15 HG21 ILE 15 2.507 -7.770 -6.022 117 HG22 ILE 15 HG22 ILE 15 1.497 -7.597 -4.582 118 HG23 ILE 15 HG23 ILE 15 1.458 -9.096 -5.512 119 HD11 ILE 15 HD11 ILE 15 4.549 -5.577 -3.691 120 HD12 ILE 15 HD12 ILE 15 2.857 -5.971 -3.411 121 HD13 ILE 15 HD13 ILE 15 3.532 -6.085 -5.031 122 H ASP 16 HN ASP 16 2.436 -11.328 -5.269 123 HA ASP 16 HA ASP 16 2.836 -13.833 -3.919 124 HB2 ASP 16 HB2 ASP 16 1.665 -14.657 -5.692 125 HB3 ASP 16 HB1 ASP 16 1.414 -12.996 -6.159 126 H GLU 17 HN GLU 17 4.482 -15.473 -5.182 127 HA GLU 17 HA GLU 17 7.037 -14.092 -4.872 128 HB2 GLU 17 HB2 GLU 17 8.047 -16.419 -4.627 129 HB3 GLU 17 HB1 GLU 17 6.789 -16.046 -3.453 130 HG2 GLU 17 HG2 GLU 17 5.212 -17.324 -5.040 131 HG3 GLU 17 HG1 GLU 17 6.692 -17.913 -5.787 132 H THR 18 HN THR 18 5.502 -14.482 -7.863 133 HA THR 18 HA THR 18 8.180 -14.901 -9.021 134 HB THR 18 HB THR 18 6.707 -16.808 -9.755 135 HG1 THR 18 HG1 THR 18 7.276 -16.197 -12.143 136 HG21 THR 18 HG21 THR 18 5.252 -16.480 -11.714 137 HG22 THR 18 HG22 THR 18 5.348 -14.742 -11.503 138 HG23 THR 18 HG23 THR 18 4.562 -15.741 -10.285 139 H ILE 19 HN ILE 19 6.758 -12.295 -8.239 140 HA ILE 19 HA ILE 19 6.981 -10.921 -10.822 141 HB ILE 19 HB ILE 19 5.750 -8.962 -10.049 142 HG12 ILE 19 HG12 ILE 19 6.017 -8.358 -7.842 143 HG13 ILE 19 HG11 ILE 19 4.437 -9.122 -7.698 144 HG21 ILE 19 HG21 ILE 19 4.189 -10.552 -10.896 145 HG22 ILE 19 HG22 ILE 19 3.470 -9.697 -9.541 146 HG23 ILE 19 HG23 ILE 19 4.046 -11.336 -9.326 147 HD11 ILE 19 HD11 ILE 19 5.984 -9.674 -5.890 148 HD12 ILE 19 HD12 ILE 19 7.057 -10.441 -7.044 149 HD13 ILE 19 HD13 ILE 19 5.426 -11.081 -6.769 150 H ASP 20 HN ASP 20 8.260 -8.933 -10.927 151 HA ASP 20 HA ASP 20 10.008 -8.443 -8.625 152 HB2 ASP 20 HB2 ASP 20 10.810 -8.707 -11.520 153 HB3 ASP 20 HB1 ASP 20 11.851 -7.975 -10.323 154 H GLU 21 HN GLU 21 11.418 -6.292 -9.323 155 HA GLU 21 HA GLU 21 9.840 -4.086 -8.943 156 HB2 GLU 21 HB2 GLU 21 12.312 -3.973 -8.671 157 HB3 GLU 21 HB1 GLU 21 12.517 -3.981 -10.408 158 HG2 GLU 21 HG2 GLU 21 10.891 -1.772 -9.339 159 HG3 GLU 21 HG1 GLU 21 12.578 -1.800 -8.867 160 H LYS 22 HN LYS 22 11.063 -4.860 -12.214 161 HA LYS 22 HA LYS 22 9.785 -2.753 -13.466 162 HB2 LYS 22 HB2 LYS 22 10.188 -4.945 -15.313 163 HB3 LYS 22 HB1 LYS 22 10.892 -3.359 -15.309 164 HG2 LYS 22 HG2 LYS 22 12.674 -4.896 -15.387 165 HG3 LYS 22 HG1 LYS 22 12.712 -4.289 -13.737 166 HD2 LYS 22 HD2 LYS 22 11.572 -6.367 -12.979 167 HD3 LYS 22 HD1 LYS 22 11.491 -6.936 -14.643 168 HE2 LYS 22 HE2 LYS 22 14.034 -6.398 -13.076 169 HE3 LYS 22 HE1 LYS 22 13.358 -7.980 -13.484 170 HZ1 LYS 22 HZ1 LYS 22 13.681 -7.502 -15.815 171 HZ2 LYS 22 HZ2 LYS 22 15.150 -7.342 -14.973 172 HZ3 LYS 22 HZ3 LYS 22 14.292 -5.954 -15.451 173 H SER 23 HN SER 23 8.532 -6.045 -12.911 174 HA SER 23 HA SER 23 6.325 -5.968 -14.625 175 HB2 SER 23 HB2 SER 23 5.976 -7.467 -12.095 176 HB3 SER 23 HB1 SER 23 5.786 -7.980 -13.763 177 HG SER 23 HG SER 23 7.707 -8.786 -13.687 178 H LEU 24 HN LEU 24 6.525 -5.038 -11.161 179 HA LEU 24 HA LEU 24 3.808 -4.322 -10.938 180 HB2 LEU 24 HB2 LEU 24 6.125 -3.708 -9.145 181 HB3 LEU 24 HB1 LEU 24 4.541 -3.071 -8.829 182 HG LEU 24 HG LEU 24 5.084 -6.020 -9.123 183 HD11 LEU 24 HD11 LEU 24 6.521 -5.241 -7.261 184 HD12 LEU 24 HD12 LEU 24 5.159 -6.175 -6.659 185 HD13 LEU 24 HD13 LEU 24 5.134 -4.428 -6.546 186 HD21 LEU 24 HD21 LEU 24 3.070 -6.261 -7.759 187 HD22 LEU 24 HD22 LEU 24 2.727 -5.386 -9.240 188 HD23 LEU 24 HD23 LEU 24 2.882 -4.525 -7.718 189 H TYR 25 HN TYR 25 6.419 -2.405 -12.339 190 HA TYR 25 HA TYR 25 5.101 0.072 -12.601 191 HB2 TYR 25 HB2 TYR 25 7.498 -0.262 -13.236 192 HB3 TYR 25 HB1 TYR 25 7.030 -1.295 -14.556 193 HD1 TYR 25 HD1 TYR 25 5.175 0.319 -16.184 194 HD2 TYR 25 HD2 TYR 25 8.645 1.565 -14.020 195 HE1 TYR 25 HE1 TYR 25 5.499 2.169 -17.755 196 HE2 TYR 25 HE2 TYR 25 8.917 3.440 -15.553 197 HH TYR 25 HH TYR 25 6.560 4.374 -17.838 198 H ASP 26 HN ASP 26 5.181 -2.493 -15.200 199 HA ASP 26 HA ASP 26 3.427 -1.264 -16.911 200 HB2 ASP 26 HB2 ASP 26 4.690 -3.864 -16.868 201 HB3 ASP 26 HB1 ASP 26 3.106 -3.895 -17.615 202 H ILE 27 HN ILE 27 2.392 -3.335 -14.216 203 HA ILE 27 HA ILE 27 -0.243 -3.581 -15.322 204 HB ILE 27 HB ILE 27 0.485 -4.431 -12.450 205 HG12 ILE 27 HG12 ILE 27 0.349 -6.275 -14.909 206 HG13 ILE 27 HG11 ILE 27 1.866 -5.752 -14.222 207 HG21 ILE 27 HG21 ILE 27 -1.485 -5.740 -12.467 208 HG22 ILE 27 HG22 ILE 27 -1.767 -5.410 -14.167 209 HG23 ILE 27 HG23 ILE 27 -1.928 -4.132 -12.988 210 HD11 ILE 27 HD11 ILE 27 1.441 -7.979 -13.496 211 HD12 ILE 27 HD12 ILE 27 -0.184 -7.581 -12.962 212 HD13 ILE 27 HD13 ILE 27 1.210 -6.952 -12.080 213 H PHE 28 HN PHE 28 1.067 -1.435 -12.569 214 HA PHE 28 HA PHE 28 -1.473 -0.106 -12.367 215 HB2 PHE 28 HB2 PHE 28 1.224 0.305 -11.181 216 HB3 PHE 28 HB1 PHE 28 -0.054 1.489 -10.961 217 HD1 PHE 28 HD1 PHE 28 0.475 -2.216 -10.480 218 HD2 PHE 28 HD2 PHE 28 -1.213 1.446 -9.085 219 HE1 PHE 28 HE1 PHE 28 -0.284 -3.336 -8.437 220 HE2 PHE 28 HE2 PHE 28 -1.985 0.327 -7.037 221 HZ PHE 28 HZ PHE 28 -1.526 -2.077 -6.706 222 H SER 29 HN SER 29 0.869 0.187 -14.841 223 HA SER 29 HA SER 29 0.866 3.083 -14.885 224 HB2 SER 29 HB2 SER 29 2.177 2.820 -17.071 225 HB3 SER 29 HB1 SER 29 3.030 2.364 -15.597 226 HG SER 29 HG SER 29 2.322 0.863 -17.750 227 H SER 30 HN SER 30 -1.303 0.786 -15.825 228 HA SER 30 HA SER 30 -2.129 1.666 -18.387 229 HB2 SER 30 HB2 SER 30 -4.291 0.413 -17.753 230 HB3 SER 30 HB1 SER 30 -2.797 -0.527 -17.778 231 HG SER 30 HG SER 30 -2.884 -0.751 -15.665 232 H PHE 31 HN PHE 31 -3.335 2.665 -15.092 233 HA PHE 31 HA PHE 31 -4.676 4.886 -16.410 234 HB2 PHE 31 HB2 PHE 31 -4.610 3.831 -13.635 235 HB3 PHE 31 HB1 PHE 31 -4.965 5.538 -13.848 236 HD1 PHE 31 HD1 PHE 31 -6.997 6.201 -15.102 237 HD2 PHE 31 HD2 PHE 31 -6.180 2.158 -14.054 238 HE1 PHE 31 HE1 PHE 31 -9.373 5.640 -15.426 239 HE2 PHE 31 HE2 PHE 31 -8.548 1.587 -14.386 240 HZ PHE 31 HZ PHE 31 -10.149 3.329 -15.069 241 H GLY 32 HN GLY 32 -1.804 4.462 -14.311 242 HA2 GLY 32 HA2 GLY 32 -1.047 7.267 -14.869 243 HA3 GLY 32 HA1 GLY 32 -1.006 6.578 -13.281 244 H ASP 33 HN ASP 33 1.013 7.385 -15.678 245 HA ASP 33 HA ASP 33 2.982 5.338 -15.514 246 HB2 ASP 33 HB2 ASP 33 3.254 8.219 -16.396 247 HB3 ASP 33 HB1 ASP 33 4.611 7.109 -16.357 248 H ILE 34 HN ILE 34 5.338 5.750 -14.599 249 HA ILE 34 HA ILE 34 4.710 6.099 -11.724 250 HB ILE 34 HB ILE 34 6.100 3.799 -13.135 251 HG12 ILE 34 HG12 ILE 34 3.802 3.189 -12.890 252 HG13 ILE 34 HG11 ILE 34 4.615 2.367 -11.590 253 HG21 ILE 34 HG21 ILE 34 7.541 4.505 -11.254 254 HG22 ILE 34 HG22 ILE 34 7.063 2.835 -11.290 255 HG23 ILE 34 HG23 ILE 34 6.291 3.930 -10.154 256 HD11 ILE 34 HD11 ILE 34 2.432 4.083 -11.426 257 HD12 ILE 34 HD12 ILE 34 3.735 4.891 -10.606 258 HD13 ILE 34 HD13 ILE 34 3.294 3.278 -10.112 259 H ARG 35 HN ARG 35 6.283 7.067 -10.194 260 HA ARG 35 HA ARG 35 8.561 8.472 -11.333 261 HB2 ARG 35 HB2 ARG 35 6.970 8.962 -9.012 262 HB3 ARG 35 HB1 ARG 35 8.589 8.659 -8.394 263 HG2 ARG 35 HG2 ARG 35 9.487 10.559 -9.330 264 HG3 ARG 35 HG1 ARG 35 8.260 10.713 -10.551 265 HD2 ARG 35 HD2 ARG 35 7.144 10.956 -7.873 266 HD3 ARG 35 HD1 ARG 35 8.423 12.124 -8.191 267 HE ARG 35 HE ARG 35 6.287 11.825 -10.167 268 HH11 ARG 35 HH12 ARG 35 7.739 13.791 -7.641 269 HH12 ARG 35 HH11 ARG 35 6.889 15.227 -8.103 270 HH21 ARG 35 HH22 ARG 35 5.192 13.742 -10.777 271 HH22 ARG 35 HH21 ARG 35 5.447 15.198 -9.875 272 H ASN 36 HN ASN 36 8.544 5.587 -9.040 273 HA ASN 36 HA ASN 36 11.264 4.955 -9.222 274 HB2 ASN 36 HB2 ASN 36 11.545 7.267 -8.150 275 HB3 ASN 36 HB1 ASN 36 10.724 6.607 -6.738 276 HD21 ASN 36 HD21 ASN 36 12.325 6.581 -5.192 277 HD22 ASN 36 HD22 ASN 36 13.815 5.728 -5.392 278 H ILE 37 HN ILE 37 11.619 2.855 -7.649 279 HA ILE 37 HA ILE 37 9.079 2.209 -6.297 280 HB ILE 37 HB ILE 37 10.338 0.286 -8.311 281 HG12 ILE 37 HG12 ILE 37 8.340 2.391 -8.747 282 HG13 ILE 37 HG11 ILE 37 9.475 1.652 -9.862 283 HG21 ILE 37 HG21 ILE 37 8.299 -1.045 -8.195 284 HG22 ILE 37 HG22 ILE 37 7.760 -0.106 -6.829 285 HG23 ILE 37 HG23 ILE 37 9.223 -1.048 -6.713 286 HD11 ILE 37 HD11 ILE 37 7.163 0.054 -8.944 287 HD12 ILE 37 HD12 ILE 37 8.057 -0.028 -10.433 288 HD13 ILE 37 HD13 ILE 37 6.906 1.277 -10.155 289 H GLU 38 HN GLU 38 9.477 1.347 -4.278 290 HA GLU 38 HA GLU 38 12.081 -0.048 -4.012 291 HB2 GLU 38 HB2 GLU 38 12.121 2.047 -2.626 292 HB3 GLU 38 HB1 GLU 38 10.706 1.565 -1.765 293 HG2 GLU 38 HG2 GLU 38 12.234 -0.384 -0.880 294 HG3 GLU 38 HG1 GLU 38 13.534 0.656 -1.469 295 H VAL 39 HN VAL 39 11.822 -2.124 -4.163 296 HA VAL 39 HA VAL 39 9.842 -3.527 -2.459 297 HB VAL 39 HB VAL 39 10.367 -4.288 -5.381 298 HG11 VAL 39 HG11 VAL 39 8.765 -6.096 -5.144 299 HG12 VAL 39 HG12 VAL 39 8.514 -5.699 -3.450 300 HG13 VAL 39 HG13 VAL 39 10.082 -6.298 -3.994 301 HG21 VAL 39 HG21 VAL 39 8.725 -2.579 -5.502 302 HG22 VAL 39 HG22 VAL 39 7.825 -3.255 -4.163 303 HG23 VAL 39 HG23 VAL 39 7.891 -4.105 -5.687 304 HA PRO 40 HA PRO 40 14.123 -5.412 -1.792 305 HB2 PRO 40 HB2 PRO 40 13.394 -6.511 0.629 306 HB3 PRO 40 HB1 PRO 40 14.072 -4.882 0.471 307 HG2 PRO 40 HG2 PRO 40 11.225 -5.701 0.650 308 HG3 PRO 40 HG1 PRO 40 12.098 -4.431 1.535 309 HD2 PRO 40 HD2 PRO 40 10.627 -3.693 -0.527 310 HD3 PRO 40 HD1 PRO 40 12.250 -3.065 -0.300 311 H LEU 41 HN LEU 41 14.605 -7.596 -2.349 312 HA LEU 41 HA LEU 41 12.502 -9.600 -2.041 313 HB2 LEU 41 HB2 LEU 41 13.005 -8.427 -4.676 314 HB3 LEU 41 HB1 LEU 41 13.435 -10.117 -4.691 315 HG LEU 41 HG LEU 41 11.248 -10.817 -4.672 316 HD11 LEU 41 HD11 LEU 41 10.390 -9.984 -2.543 317 HD12 LEU 41 HD12 LEU 41 9.259 -9.629 -3.834 318 HD13 LEU 41 HD13 LEU 41 10.273 -8.356 -3.190 319 HD21 LEU 41 HD21 LEU 41 10.964 -8.025 -5.687 320 HD22 LEU 41 HD22 LEU 41 9.812 -9.325 -5.932 321 HD23 LEU 41 HD23 LEU 41 11.429 -9.458 -6.613 322 H ASN 42 HN ASN 42 13.554 -11.864 -1.953 323 HA ASN 42 HA ASN 42 16.434 -11.450 -1.475 324 HB2 ASN 42 HB2 ASN 42 14.980 -11.901 0.645 325 HB3 ASN 42 HB1 ASN 42 14.817 -13.546 0.056 326 HD21 ASN 42 HD21 ASN 42 15.981 -12.642 2.472 327 HD22 ASN 42 HD22 ASN 42 17.603 -13.224 2.477 328 H MET 43 HN MET 43 17.883 -12.928 -2.620 329 HA MET 43 HA MET 43 16.615 -14.293 -4.757 330 HB2 MET 43 HB2 MET 43 19.103 -13.211 -4.478 331 HB3 MET 43 HB1 MET 43 19.521 -14.898 -4.221 332 HG2 MET 43 HG2 MET 43 18.248 -15.275 -6.509 333 HG3 MET 43 HG1 MET 43 18.517 -13.535 -6.698 334 HE1 MET 43 HE1 MET 43 21.376 -13.159 -5.182 335 HE2 MET 43 HE2 MET 43 20.900 -12.385 -6.692 336 HE3 MET 43 HE3 MET 43 22.423 -13.265 -6.597 337 H THR 44 HN THR 44 16.858 -15.621 -1.632 338 HA THR 44 HA THR 44 17.265 -18.300 -2.647 339 HB THR 44 HB THR 44 16.865 -17.423 0.267 340 HG1 THR 44 HG1 THR 44 19.000 -17.662 -1.363 341 HG21 THR 44 HG21 THR 44 15.933 -19.714 0.074 342 HG22 THR 44 HG22 THR 44 17.439 -19.683 0.983 343 HG23 THR 44 HG23 THR 44 17.441 -20.260 -0.678 344 H THR 45 HN THR 45 14.461 -16.579 -1.094 345 HA THR 45 HA THR 45 12.820 -18.481 -2.565 346 HB THR 45 HB THR 45 12.784 -19.462 -0.445 347 HG1 THR 45 HG1 THR 45 10.480 -18.446 -1.409 348 HG21 THR 45 HG21 THR 45 12.114 -16.799 0.828 349 HG22 THR 45 HG22 THR 45 13.457 -17.910 1.188 350 HG23 THR 45 HG23 THR 45 11.811 -18.348 1.602 351 H LYS 46 HN LYS 46 13.439 -15.369 -2.864 352 HA LYS 46 HA LYS 46 12.416 -13.358 -3.246 353 HB2 LYS 46 HB2 LYS 46 12.055 -14.749 -5.268 354 HB3 LYS 46 HB1 LYS 46 10.527 -15.346 -4.653 355 HG2 LYS 46 HG2 LYS 46 9.518 -13.752 -5.747 356 HG3 LYS 46 HG1 LYS 46 10.292 -12.533 -4.764 357 HD2 LYS 46 HD2 LYS 46 10.757 -11.894 -6.982 358 HD3 LYS 46 HD1 LYS 46 12.245 -12.675 -6.482 359 HE2 LYS 46 HE2 LYS 46 11.577 -14.710 -7.649 360 HE3 LYS 46 HE1 LYS 46 10.053 -13.955 -8.105 361 HZ1 LYS 46 HZ1 LYS 46 11.653 -13.888 -9.898 362 HZ2 LYS 46 HZ2 LYS 46 12.747 -13.044 -8.922 363 HZ3 LYS 46 HZ3 LYS 46 11.283 -12.321 -9.366 364 H LYS 47 HN LYS 47 11.598 -14.498 -0.689 365 HA LYS 47 HA LYS 47 9.010 -13.729 -0.051 366 HB2 LYS 47 HB2 LYS 47 9.967 -13.564 2.334 367 HB3 LYS 47 HB1 LYS 47 10.115 -15.097 1.517 368 HG2 LYS 47 HG2 LYS 47 12.137 -14.897 2.590 369 HG3 LYS 47 HG1 LYS 47 12.544 -14.347 0.979 370 HD2 LYS 47 HD2 LYS 47 13.602 -12.988 2.709 371 HD3 LYS 47 HD1 LYS 47 12.490 -12.010 1.750 372 HE2 LYS 47 HE2 LYS 47 12.364 -11.519 4.168 373 HE3 LYS 47 HE1 LYS 47 10.833 -12.134 3.560 374 HZ1 LYS 47 HZ1 LYS 47 11.445 -14.328 4.445 375 HZ2 LYS 47 HZ2 LYS 47 11.358 -13.162 5.664 376 HZ3 LYS 47 HZ3 LYS 47 12.866 -13.676 5.097 377 H ASN 48 HN ASN 48 8.000 -11.760 0.386 378 HA ASN 48 HA ASN 48 9.794 -9.401 0.292 379 HB2 ASN 48 HB2 ASN 48 7.885 -8.019 -0.438 380 HB3 ASN 48 HB1 ASN 48 8.310 -9.287 -1.581 381 HD21 ASN 48 HD21 ASN 48 6.833 -10.937 -1.977 382 HD22 ASN 48 HD22 ASN 48 5.238 -10.920 -1.310 383 H ARG 49 HN ARG 49 7.994 -11.100 2.578 384 HA ARG 49 HA ARG 49 7.194 -10.715 4.643 385 HB2 ARG 49 HB2 ARG 49 8.456 -8.492 5.790 386 HB3 ARG 49 HB1 ARG 49 8.937 -10.143 5.996 387 HG2 ARG 49 HG2 ARG 49 10.466 -9.692 3.928 388 HG3 ARG 49 HG1 ARG 49 10.188 -7.992 4.307 389 HD2 ARG 49 HD2 ARG 49 11.045 -8.480 6.615 390 HD3 ARG 49 HD1 ARG 49 11.435 -10.101 6.082 391 HE ARG 49 HE ARG 49 12.581 -7.988 4.474 392 HH11 ARG 49 HH12 ARG 49 13.044 -10.146 7.218 393 HH12 ARG 49 HH11 ARG 49 14.772 -10.069 7.134 394 HH21 ARG 49 HH21 ARG 49 14.849 -7.980 4.326 395 HH22 ARG 49 HH22 ARG 49 15.795 -8.839 5.498 396 H GLY 50 HN GLY 50 5.354 -9.762 3.004 397 HA2 GLY 50 HA2 GLY 50 3.370 -8.730 3.126 398 HA3 GLY 50 HA1 GLY 50 3.786 -8.351 4.778 399 H PHE 51 HN PHE 51 5.801 -6.854 2.225 400 HA PHE 51 HA PHE 51 4.316 -4.423 2.563 401 HB2 PHE 51 HB2 PHE 51 5.283 -3.451 4.372 402 HB3 PHE 51 HB1 PHE 51 5.796 -5.054 4.742 403 HD1 PHE 51 HD2 PHE 51 6.888 -1.694 3.648 404 HD2 PHE 51 HD1 PHE 51 8.122 -5.660 4.714 405 HE1 PHE 51 HE2 PHE 51 9.198 -0.931 3.837 406 HE2 PHE 51 HE1 PHE 51 10.418 -4.869 4.920 407 HZ PHE 51 HZ PHE 51 10.968 -2.513 4.469 408 H ALA 52 HN ALA 52 4.722 -2.935 0.818 409 HA ALA 52 HA ALA 52 7.380 -2.508 -0.316 410 HB1 ALA 52 HB1 ALA 52 6.437 -2.699 -2.697 411 HB2 ALA 52 HB2 ALA 52 5.102 -3.608 -2.017 412 HB3 ALA 52 HB3 ALA 52 6.745 -4.222 -1.886 413 H PHE 53 HN PHE 53 7.616 -0.468 -1.235 414 HA PHE 53 HA PHE 53 5.383 1.384 -0.961 415 HB2 PHE 53 HB2 PHE 53 8.343 1.915 -1.265 416 HB3 PHE 53 HB1 PHE 53 7.114 3.158 -1.029 417 HD1 PHE 53 HD2 PHE 53 5.536 2.348 1.291 418 HD2 PHE 53 HD1 PHE 53 9.646 1.633 0.489 419 HE1 PHE 53 HE2 PHE 53 5.987 2.125 3.698 420 HE2 PHE 53 HE1 PHE 53 10.108 1.419 2.831 421 HZ PHE 53 HZ PHE 53 8.276 1.666 4.478 422 H VAL 54 HN VAL 54 4.612 2.804 -2.744 423 HA VAL 54 HA VAL 54 5.884 2.548 -5.368 424 HB VAL 54 HB VAL 54 2.952 1.760 -4.992 425 HG11 VAL 54 HG11 VAL 54 3.916 2.422 -7.771 426 HG12 VAL 54 HG12 VAL 54 2.853 3.462 -6.830 427 HG13 VAL 54 HG13 VAL 54 2.346 1.837 -7.261 428 HG21 VAL 54 HG21 VAL 54 4.963 0.492 -6.746 429 HG22 VAL 54 HG22 VAL 54 3.362 -0.064 -6.364 430 HG23 VAL 54 HG23 VAL 54 4.590 -0.034 -5.123 431 H GLU 55 HN GLU 55 6.377 4.743 -5.979 432 HA GLU 55 HA GLU 55 4.519 6.853 -5.250 433 HB2 GLU 55 HB2 GLU 55 7.327 6.503 -5.785 434 HB3 GLU 55 HB1 GLU 55 6.715 7.810 -6.788 435 HG2 GLU 55 HG2 GLU 55 7.804 8.270 -4.512 436 HG3 GLU 55 HG1 GLU 55 6.438 9.211 -4.993 437 H TYR 56 HN TYR 56 2.951 7.762 -6.735 438 HA TYR 56 HA TYR 56 2.990 6.954 -9.528 439 HB2 TYR 56 HB2 TYR 56 0.919 7.940 -7.684 440 HB3 TYR 56 HB1 TYR 56 0.902 8.862 -9.181 441 HD1 TYR 56 HD1 TYR 56 1.021 5.158 -8.245 442 HD2 TYR 56 HD2 TYR 56 -0.597 8.228 -10.717 443 HE1 TYR 56 HE1 TYR 56 -0.599 3.577 -9.138 444 HE2 TYR 56 HE2 TYR 56 -2.139 6.658 -11.630 445 HH TYR 56 HH TYR 56 -2.793 3.639 -10.324 446 H VAL 57 HN VAL 57 2.453 8.841 -11.369 447 HA VAL 57 HA VAL 57 3.892 11.298 -10.739 448 HB VAL 57 HB VAL 57 2.951 10.181 -13.387 449 HG11 VAL 57 HG11 VAL 57 1.955 12.286 -13.831 450 HG12 VAL 57 HG12 VAL 57 3.564 12.369 -14.521 451 HG13 VAL 57 HG13 VAL 57 3.237 13.158 -12.988 452 HG21 VAL 57 HG21 VAL 57 5.054 10.790 -14.211 453 HG22 VAL 57 HG22 VAL 57 5.339 10.115 -12.625 454 HG23 VAL 57 HG23 VAL 57 5.368 11.849 -12.851 455 H GLU 58 HN GLU 58 0.371 10.515 -11.035 456 HA GLU 58 HA GLU 58 -0.112 13.392 -11.283 457 HB2 GLU 58 HB2 GLU 58 -2.442 12.421 -12.238 458 HB3 GLU 58 HB1 GLU 58 -1.151 12.867 -13.267 459 HG2 GLU 58 HG2 GLU 58 -1.520 10.035 -12.325 460 HG3 GLU 58 HG1 GLU 58 -2.355 10.694 -13.726 461 H VAL 59 HN VAL 59 -1.417 14.401 -9.570 462 HA VAL 59 HA VAL 59 -1.836 12.637 -7.392 463 HB VAL 59 HB VAL 59 -1.481 14.289 -6.081 464 HG11 VAL 59 HG11 VAL 59 -1.202 16.217 -8.310 465 HG12 VAL 59 HG12 VAL 59 0.043 15.116 -7.735 466 HG13 VAL 59 HG13 VAL 59 -0.559 16.379 -6.689 467 HG21 VAL 59 HG21 VAL 59 -2.630 16.310 -5.636 468 HG22 VAL 59 HG22 VAL 59 -3.814 15.058 -5.924 469 HG23 VAL 59 HG23 VAL 59 -3.455 16.254 -7.179 470 H ASP 60 HN ASP 60 -4.369 14.004 -9.564 471 HA ASP 60 HA ASP 60 -6.549 13.154 -7.834 472 HB2 ASP 60 HB2 ASP 60 -6.879 14.888 -9.590 473 HB3 ASP 60 HB1 ASP 60 -6.793 13.612 -10.805 474 H ASP 61 HN ASP 61 -5.577 11.674 -10.970 475 HA ASP 61 HA ASP 61 -6.613 9.192 -10.893 476 HB2 ASP 61 HB2 ASP 61 -3.739 9.667 -11.805 477 HB3 ASP 61 HB1 ASP 61 -4.789 8.337 -12.293 478 H ALA 62 HN ALA 62 -3.463 9.780 -9.176 479 HA ALA 62 HA ALA 62 -2.999 7.494 -7.864 480 HB1 ALA 62 HB1 ALA 62 -1.737 9.606 -7.518 481 HB2 ALA 62 HB2 ALA 62 -2.040 8.724 -6.048 482 HB3 ALA 62 HB3 ALA 62 -2.994 10.129 -6.423 483 H LYS 63 HN LYS 63 -5.076 9.925 -6.382 484 HA LYS 63 HA LYS 63 -6.231 8.459 -4.323 485 HB2 LYS 63 HB2 LYS 63 -6.854 10.949 -5.591 486 HB3 LYS 63 HB1 LYS 63 -8.326 10.102 -5.243 487 HG2 LYS 63 HG2 LYS 63 -8.247 10.967 -3.194 488 HG3 LYS 63 HG1 LYS 63 -6.896 9.907 -2.851 489 HD2 LYS 63 HD2 LYS 63 -5.354 11.615 -2.983 490 HD3 LYS 63 HD1 LYS 63 -6.302 12.564 -4.127 491 HE2 LYS 63 HE2 LYS 63 -7.147 12.156 -1.287 492 HE3 LYS 63 HE1 LYS 63 -6.087 13.468 -1.789 493 HZ1 LYS 63 HZ1 LYS 63 -7.840 14.190 -3.345 494 HZ2 LYS 63 HZ2 LYS 63 -8.343 14.242 -1.731 495 HZ3 LYS 63 HZ3 LYS 63 -8.863 12.986 -2.734 496 H HIS 64 HN HIS 64 -7.832 8.857 -7.581 497 HA HIS 64 HA HIS 64 -9.876 7.067 -7.025 498 HB2 HIS 64 HB2 HIS 64 -9.552 8.783 -9.055 499 HB3 HIS 64 HB1 HIS 64 -9.289 7.273 -9.900 500 HD1 HIS 64 HD1 HIS 64 -11.291 5.381 -9.094 501 HD2 HIS 64 HD2 HIS 64 -12.145 9.446 -9.114 502 HE1 HIS 64 HE1 HIS 64 -13.794 5.543 -9.065 503 HE2 HIS 64 HE2 HIS 64 -14.292 8.010 -9.033 504 H ALA 65 HN ALA 65 -6.635 6.204 -8.422 505 HA ALA 65 HA ALA 65 -7.305 3.549 -9.065 506 HB1 ALA 65 HB1 ALA 65 -5.215 4.412 -9.872 507 HB2 ALA 65 HB2 ALA 65 -4.929 2.956 -8.936 508 HB3 ALA 65 HB3 ALA 65 -4.564 4.527 -8.244 509 H LEU 66 HN LEU 66 -5.904 4.631 -5.891 510 HA LEU 66 HA LEU 66 -5.990 2.072 -4.879 511 HB2 LEU 66 HB2 LEU 66 -4.720 2.796 -3.256 512 HB3 LEU 66 HB1 LEU 66 -4.895 4.389 -3.870 513 HG LEU 66 HG LEU 66 -6.753 4.727 -2.061 514 HD11 LEU 66 HD11 LEU 66 -5.474 2.399 -0.703 515 HD12 LEU 66 HD12 LEU 66 -6.940 2.181 -1.637 516 HD13 LEU 66 HD13 LEU 66 -6.927 3.282 -0.265 517 HD21 LEU 66 HD21 LEU 66 -4.819 5.830 -1.421 518 HD22 LEU 66 HD22 LEU 66 -3.822 4.402 -1.567 519 HD23 LEU 66 HD23 LEU 66 -4.875 4.593 -0.167 520 H TYR 67 HN TYR 67 -8.749 4.368 -4.584 521 HA TYR 67 HA TYR 67 -10.365 2.686 -3.076 522 HB2 TYR 67 HB2 TYR 67 -10.741 5.073 -4.121 523 HB3 TYR 67 HB1 TYR 67 -11.547 4.158 -5.387 524 HD1 TYR 67 HD1 TYR 67 -13.544 2.725 -4.745 525 HD2 TYR 67 HD2 TYR 67 -11.750 5.519 -2.074 526 HE1 TYR 67 HE1 TYR 67 -15.558 2.676 -3.338 527 HE2 TYR 67 HE2 TYR 67 -13.755 5.465 -0.667 528 HH TYR 67 HH TYR 67 -16.134 4.939 -0.864 529 H ASN 68 HN ASN 68 -9.668 2.387 -6.549 530 HA ASN 68 HA ASN 68 -11.362 0.087 -6.883 531 HB2 ASN 68 HB2 ASN 68 -10.633 1.602 -8.819 532 HB3 ASN 68 HB1 ASN 68 -9.060 0.787 -8.769 533 HD21 ASN 68 HD21 ASN 68 -8.827 -1.150 -9.674 534 HD22 ASN 68 HD22 ASN 68 -10.081 -1.997 -10.500 535 H MET 69 HN MET 69 -8.623 0.121 -4.985 536 HA MET 69 HA MET 69 -7.484 -2.270 -6.263 537 HB2 MET 69 HB2 MET 69 -6.114 0.048 -4.929 538 HB3 MET 69 HB1 MET 69 -5.341 -1.524 -4.921 539 HG2 MET 69 HG2 MET 69 -6.194 -0.022 -7.417 540 HG3 MET 69 HG1 MET 69 -4.570 -0.116 -6.773 541 HE1 MET 69 HE1 MET 69 -5.417 -0.817 -9.763 542 HE2 MET 69 HE2 MET 69 -4.534 -2.309 -10.070 543 HE3 MET 69 HE3 MET 69 -3.738 -0.976 -9.238 544 H ASN 70 HN ASN 70 -9.463 -1.578 -3.684 545 HA ASN 70 HA ASN 70 -8.231 -3.350 -1.755 546 HB2 ASN 70 HB2 ASN 70 -10.464 -3.232 -0.548 547 HB3 ASN 70 HB1 ASN 70 -9.590 -1.713 -0.693 548 HD21 ASN 70 HD21 ASN 70 -10.574 -0.018 -1.636 549 HD22 ASN 70 HD22 ASN 70 -12.194 -0.049 -2.258 550 H ASN 71 HN ASN 71 -10.900 -3.676 -4.121 551 HA ASN 71 HA ASN 71 -11.113 -6.470 -3.454 552 HB2 ASN 71 HB2 ASN 71 -13.073 -6.483 -4.960 553 HB3 ASN 71 HB1 ASN 71 -13.154 -5.259 -3.715 554 HD21 ASN 71 HD21 ASN 71 -11.170 -4.453 -6.578 555 HD22 ASN 71 HD22 ASN 71 -12.345 -3.365 -7.226 556 H PHE 72 HN PHE 72 -8.637 -5.435 -4.924 557 HA PHE 72 HA PHE 72 -9.002 -6.896 -7.446 558 HB2 PHE 72 HB2 PHE 72 -8.419 -4.623 -7.962 559 HB3 PHE 72 HB1 PHE 72 -7.065 -4.623 -6.853 560 HD1 PHE 72 HD1 PHE 72 -8.300 -5.888 -10.092 561 HD2 PHE 72 HD2 PHE 72 -4.917 -5.394 -7.546 562 HE1 PHE 72 HE1 PHE 72 -6.800 -6.444 -11.978 563 HE2 PHE 72 HE2 PHE 72 -3.420 -5.961 -9.412 564 HZ PHE 72 HZ PHE 72 -4.362 -6.501 -11.625 565 H GLU 73 HN GLU 73 -7.895 -8.843 -7.693 566 HA GLU 73 HA GLU 73 -5.979 -9.644 -5.741 567 HB2 GLU 73 HB2 GLU 73 -7.345 -11.407 -5.881 568 HB3 GLU 73 HB1 GLU 73 -8.158 -10.718 -7.254 569 HG2 GLU 73 HG2 GLU 73 -6.247 -11.795 -8.621 570 HG3 GLU 73 HG1 GLU 73 -6.009 -12.739 -7.131 571 H LEU 74 HN LEU 74 -3.695 -9.779 -6.270 572 HA LEU 74 HA LEU 74 -2.876 -9.350 -9.065 573 HB2 LEU 74 HB2 LEU 74 -1.678 -8.633 -6.472 574 HB3 LEU 74 HB1 LEU 74 -0.487 -9.452 -7.478 575 HG LEU 74 HG LEU 74 -1.752 -7.480 -9.133 576 HD11 LEU 74 HD11 LEU 74 -0.791 -6.396 -6.499 577 HD12 LEU 74 HD12 LEU 74 -2.467 -6.426 -7.041 578 HD13 LEU 74 HD13 LEU 74 -1.278 -5.451 -7.903 579 HD21 LEU 74 HD21 LEU 74 1.024 -7.419 -7.882 580 HD22 LEU 74 HD22 LEU 74 0.476 -6.536 -9.299 581 HD23 LEU 74 HD23 LEU 74 0.621 -8.285 -9.369 582 H ASN 75 HN ASN 75 -2.826 -11.489 -10.168 583 HA ASN 75 HA ASN 75 -2.203 -13.691 -10.552 584 HB2 ASN 75 HB2 ASN 75 0.223 -12.757 -8.895 585 HB3 ASN 75 HB1 ASN 75 0.165 -14.303 -9.720 586 HD21 ASN 75 HD21 ASN 75 2.231 -13.596 -10.873 587 HD22 ASN 75 HD22 ASN 75 2.088 -12.486 -12.199 588 H GLY 76 HN GLY 76 -4.167 -13.809 -8.631 589 HA2 GLY 76 HA2 GLY 76 -5.084 -15.176 -7.039 590 HA3 GLY 76 HA1 GLY 76 -3.692 -16.192 -7.252 591 H LYS 77 HN LYS 77 -3.545 -12.910 -5.937 592 HA LYS 77 HA LYS 77 -2.713 -13.953 -3.353 593 HB2 LYS 77 HB2 LYS 77 -0.811 -13.156 -5.242 594 HB3 LYS 77 HB1 LYS 77 -1.083 -11.668 -4.346 595 HG2 LYS 77 HG2 LYS 77 -0.102 -14.270 -3.159 596 HG3 LYS 77 HG1 LYS 77 0.868 -12.923 -3.692 597 HD2 LYS 77 HD2 LYS 77 0.844 -12.576 -1.421 598 HD3 LYS 77 HD1 LYS 77 -0.425 -11.504 -1.980 599 HE2 LYS 77 HE2 LYS 77 -2.117 -13.143 -1.219 600 HE3 LYS 77 HE1 LYS 77 -0.827 -14.218 -0.664 601 HZ1 LYS 77 HZ1 LYS 77 -0.103 -12.381 0.801 602 HZ2 LYS 77 HZ2 LYS 77 -1.634 -13.000 1.166 603 HZ3 LYS 77 HZ3 LYS 77 -1.494 -11.520 0.354 604 H ARG 78 HN ARG 78 -4.210 -12.903 -1.954 605 HA ARG 78 HA ARG 78 -5.421 -10.416 -2.431 606 HB2 ARG 78 HB2 ARG 78 -5.423 -12.323 -0.340 607 HB3 ARG 78 HB1 ARG 78 -4.979 -10.820 0.429 608 HG2 ARG 78 HG2 ARG 78 -7.544 -11.538 -1.006 609 HG3 ARG 78 HG1 ARG 78 -7.319 -11.044 0.658 610 HD2 ARG 78 HD2 ARG 78 -6.464 -8.812 -0.812 611 HD3 ARG 78 HD1 ARG 78 -7.836 -9.438 -1.710 612 HE ARG 78 HE ARG 78 -8.886 -9.443 0.674 613 HH11 ARG 78 HH12 ARG 78 -6.792 -6.981 -0.696 614 HH12 ARG 78 HH11 ARG 78 -7.502 -5.699 0.208 615 HH21 ARG 78 HH22 ARG 78 -9.785 -7.761 1.913 616 HH22 ARG 78 HH21 ARG 78 -9.215 -6.142 1.701 617 H ILE 79 HN ILE 79 -4.431 -8.233 -2.430 618 HA ILE 79 HA ILE 79 -2.025 -7.972 -0.645 619 HB ILE 79 HB ILE 79 -0.960 -6.313 -1.997 620 HG12 ILE 79 HG12 ILE 79 -2.837 -4.927 -2.802 621 HG13 ILE 79 HG11 ILE 79 -1.679 -5.292 -4.064 622 HG21 ILE 79 HG21 ILE 79 -0.648 -7.257 -4.320 623 HG22 ILE 79 HG22 ILE 79 -1.744 -8.539 -3.872 624 HG23 ILE 79 HG23 ILE 79 -0.255 -8.323 -2.987 625 HD11 ILE 79 HD11 ILE 79 -3.270 -7.075 -4.845 626 HD12 ILE 79 HD12 ILE 79 -3.758 -5.402 -5.064 627 HD13 ILE 79 HD13 ILE 79 -4.459 -6.348 -3.758 628 H HIS 80 HN HIS 80 -2.195 -6.572 1.025 629 HA HIS 80 HA HIS 80 -4.708 -5.016 1.231 630 HB2 HIS 80 HB2 HIS 80 -2.394 -5.113 3.234 631 HB3 HIS 80 HB1 HIS 80 -3.939 -4.332 3.503 632 HD1 HIS 80 HD1 HIS 80 -2.260 -7.278 4.401 633 HD2 HIS 80 HD2 HIS 80 -6.149 -6.448 3.207 634 HE1 HIS 80 HE1 HIS 80 -3.653 -9.194 5.249 635 HE2 HIS 80 HE2 HIS 80 -6.009 -8.577 4.638 636 H VAL 81 HN VAL 81 -4.846 -2.999 0.244 637 HA VAL 81 HA VAL 81 -2.535 -1.281 -0.065 638 HB VAL 81 HB VAL 81 -5.292 -1.224 -1.406 639 HG11 VAL 81 HG11 VAL 81 -4.181 0.013 -3.295 640 HG12 VAL 81 HG12 VAL 81 -2.990 0.535 -2.137 641 HG13 VAL 81 HG13 VAL 81 -4.694 0.905 -1.887 642 HG21 VAL 81 HG21 VAL 81 -2.791 -2.527 -2.383 643 HG22 VAL 81 HG22 VAL 81 -3.977 -1.932 -3.496 644 HG23 VAL 81 HG23 VAL 81 -4.434 -3.148 -2.328 645 H ASN 82 HN ASN 82 -2.317 0.745 1.140 646 HA ASN 82 HA ASN 82 -4.687 2.220 2.020 647 HB2 ASN 82 HB2 ASN 82 -4.329 0.433 3.897 648 HB3 ASN 82 HB1 ASN 82 -2.892 1.327 4.363 649 HD21 ASN 82 HD21 ASN 82 -6.392 1.513 4.011 650 HD22 ASN 82 HD22 ASN 82 -6.612 2.750 5.196 651 H TYR 83 HN TYR 83 -3.681 4.238 3.601 652 HA TYR 83 HA TYR 83 -1.778 5.478 1.770 653 HB2 TYR 83 HB2 TYR 83 -3.483 7.077 2.212 654 HB3 TYR 83 HB1 TYR 83 -3.666 6.550 3.890 655 HD1 TYR 83 HD2 TYR 83 -1.233 8.397 1.649 656 HD2 TYR 83 HD1 TYR 83 -2.873 7.971 5.569 657 HE1 TYR 83 HE2 TYR 83 0.043 10.312 2.393 658 HE2 TYR 83 HE1 TYR 83 -1.592 9.942 6.288 659 HH TYR 83 HH TYR 83 0.419 11.170 5.624 660 H SER 84 HN SER 84 0.284 6.894 2.935 661 HA SER 84 HA SER 84 1.614 4.780 4.514 662 HB2 SER 84 HB2 SER 84 2.353 5.655 2.081 663 HB3 SER 84 HB1 SER 84 3.170 6.851 3.056 664 HG SER 84 HG SER 84 4.383 4.896 2.508 665 H LYS 85 HN LYS 85 3.873 6.039 5.320 666 HA LYS 85 HA LYS 85 2.761 7.893 7.346 667 HB2 LYS 85 HB2 LYS 85 3.771 5.778 8.281 668 HB3 LYS 85 HB1 LYS 85 5.296 6.157 7.505 669 HG2 LYS 85 HG2 LYS 85 4.220 7.831 9.840 670 HG3 LYS 85 HG1 LYS 85 5.176 6.378 10.037 671 HD2 LYS 85 HD2 LYS 85 6.951 7.700 10.039 672 HD3 LYS 85 HD1 LYS 85 6.776 7.747 8.296 673 HE2 LYS 85 HE2 LYS 85 7.149 9.964 9.309 674 HE3 LYS 85 HE1 LYS 85 5.626 9.895 8.429 675 HZ1 LYS 85 HZ1 LYS 85 5.464 11.029 10.590 676 HZ2 LYS 85 HZ2 LYS 85 5.912 9.603 11.381 677 HZ3 LYS 85 HZ3 LYS 85 4.455 9.675 10.523 678 H THR 86 HN THR 86 3.039 9.990 6.456 679 HA THR 86 HA THR 86 5.678 11.005 6.656 680 HB THR 86 HB THR 86 6.085 10.509 4.388 681 HG1 THR 86 HG1 THR 86 4.980 13.098 4.097 682 HG21 THR 86 HG21 THR 86 3.292 11.453 3.685 683 HG22 THR 86 HG22 THR 86 3.877 9.790 3.643 684 HG23 THR 86 HG23 THR 86 4.521 10.981 2.516 Start of MODEL 9 1 H1 GLY -2 HT1 GLY -2 -14.532 -5.440 2.150 2 H2 GLY -2 HT2 GLY -2 -15.344 -4.396 1.095 3 H3 GLY -2 HT3 GLY -2 -15.877 -4.572 2.688 4 HA2 GLY -2 HA1 GLY -2 -13.284 -3.394 1.858 5 HA3 GLY -2 HA2 GLY -2 -14.686 -2.487 2.414 6 H SER -1 HN SER -1 -11.825 -3.027 3.459 7 HA SER -1 HA SER -1 -12.544 -3.193 6.242 8 HB2 SER -1 HB2 SER -1 -10.961 -5.078 6.711 9 HB3 SER -1 HB1 SER -1 -12.365 -5.573 5.764 10 HG SER -1 HG SER -1 -10.706 -6.432 4.658 11 H HIS 0 HN HIS 0 -10.471 -3.100 7.599 12 HA HIS 0 HA HIS 0 -8.517 -2.198 8.248 13 HB2 HIS 0 HB2 HIS 0 -7.701 -3.349 6.027 14 HB3 HIS 0 HB1 HIS 0 -7.548 -1.699 5.449 15 HD1 HIS 0 HD1 HIS 0 -5.581 -0.308 6.378 16 HD2 HIS 0 HD2 HIS 0 -5.901 -4.106 8.041 17 HE1 HIS 0 HE1 HIS 0 -3.430 -0.693 7.627 18 HE2 HIS 0 HE2 HIS 0 -3.759 -2.885 8.809 19 H MET 1 HN MET 1 -8.762 -0.377 9.233 20 HA MET 1 HA MET 1 -10.226 1.816 8.192 21 HB2 MET 1 HB2 MET 1 -8.864 1.169 10.806 22 HB3 MET 1 HB1 MET 1 -9.297 2.849 10.473 23 HG2 MET 1 HG2 MET 1 -11.339 2.425 11.218 24 HG3 MET 1 HG1 MET 1 -11.583 1.319 9.869 25 HE1 MET 1 HE1 MET 1 -11.093 -2.170 11.401 26 HE2 MET 1 HE2 MET 1 -10.094 -1.265 10.265 27 HE3 MET 1 HE3 MET 1 -11.850 -1.227 10.117 28 H SER 2 HN SER 2 -9.485 3.333 6.817 29 HA SER 2 HA SER 2 -6.740 4.340 7.215 30 HB2 SER 2 HB2 SER 2 -8.379 4.263 4.659 31 HB3 SER 2 HB1 SER 2 -6.743 4.892 4.794 32 HG SER 2 HG SER 2 -7.646 2.262 4.770 33 H ASP 3 HN ASP 3 -6.743 6.342 8.113 34 HA ASP 3 HA ASP 3 -9.144 7.956 8.105 35 HB2 ASP 3 HB2 ASP 3 -7.399 7.549 10.001 36 HB3 ASP 3 HB1 ASP 3 -6.488 8.826 9.209 37 H ASN 4 HN ASN 4 -7.227 7.667 5.550 38 HA ASN 4 HA ASN 4 -7.408 10.353 4.619 39 HB2 ASN 4 HB2 ASN 4 -4.824 10.554 4.248 40 HB3 ASN 4 HB1 ASN 4 -5.506 10.987 5.803 41 HD21 ASN 4 HD21 ASN 4 -4.900 7.641 4.718 42 HD22 ASN 4 HD22 ASN 4 -3.664 7.338 5.893 43 H ASN 5 HN ASN 5 -7.162 10.557 2.394 44 HA ASN 5 HA ASN 5 -7.383 7.935 1.106 45 HB2 ASN 5 HB2 ASN 5 -8.861 10.284 0.858 46 HB3 ASN 5 HB1 ASN 5 -7.968 10.187 -0.660 47 HD21 ASN 5 HD21 ASN 5 -8.274 8.353 -2.003 48 HD22 ASN 5 HD22 ASN 5 -9.689 7.371 -1.858 49 H ALA 6 HN ALA 6 -4.641 9.577 1.480 50 HA ALA 6 HA ALA 6 -2.613 9.613 0.533 51 HB1 ALA 6 HB1 ALA 6 -3.625 7.706 -1.551 52 HB2 ALA 6 HB2 ALA 6 -3.019 7.236 0.033 53 HB3 ALA 6 HB3 ALA 6 -1.955 8.028 -1.118 54 H THR 7 HN THR 7 -2.171 11.680 -0.228 55 HA THR 7 HA THR 7 -2.501 11.835 -3.164 56 HB THR 7 HB THR 7 -2.852 13.958 -2.175 57 HG1 THR 7 HG1 THR 7 -0.210 14.082 -3.260 58 HG21 THR 7 HG21 THR 7 -0.118 13.720 -0.896 59 HG22 THR 7 HG22 THR 7 -1.671 13.773 -0.061 60 HG23 THR 7 HG23 THR 7 -1.091 15.189 -0.927 61 H ASP 8 HN ASP 8 -0.898 11.252 -4.547 62 HA ASP 8 HA ASP 8 0.903 10.573 -5.605 63 HB2 ASP 8 HB2 ASP 8 2.590 12.289 -5.704 64 HB3 ASP 8 HB1 ASP 8 1.168 13.075 -5.142 65 H ILE 9 HN ILE 9 0.604 9.266 -2.677 66 HA ILE 9 HA ILE 9 3.087 7.753 -2.623 67 HB ILE 9 HB ILE 9 2.102 9.087 -0.046 68 HG12 ILE 9 HG12 ILE 9 4.584 9.915 -1.562 69 HG13 ILE 9 HG11 ILE 9 3.055 10.573 -1.983 70 HG21 ILE 9 HG21 ILE 9 4.813 7.883 -0.551 71 HG22 ILE 9 HG22 ILE 9 3.473 6.953 0.090 72 HG23 ILE 9 HG23 ILE 9 4.079 8.326 0.981 73 HD11 ILE 9 HD11 ILE 9 4.793 11.198 0.267 74 HD12 ILE 9 HD12 ILE 9 3.054 11.250 0.586 75 HD13 ILE 9 HD13 ILE 9 3.753 12.222 -0.702 76 H LEU 10 HN LEU 10 2.449 5.582 -2.775 77 HA LEU 10 HA LEU 10 -0.183 4.782 -1.610 78 HB2 LEU 10 HB2 LEU 10 0.915 4.569 -4.385 79 HB3 LEU 10 HB1 LEU 10 -0.048 3.228 -3.812 80 HG LEU 10 HG LEU 10 -0.990 5.246 -5.321 81 HD11 LEU 10 HD11 LEU 10 -2.483 3.667 -3.324 82 HD12 LEU 10 HD12 LEU 10 -2.018 3.217 -4.975 83 HD13 LEU 10 HD13 LEU 10 -3.159 4.534 -4.701 84 HD21 LEU 10 HD21 LEU 10 -2.034 6.122 -2.560 85 HD22 LEU 10 HD22 LEU 10 -2.402 6.816 -4.113 86 HD23 LEU 10 HD23 LEU 10 -0.813 7.036 -3.445 87 H PHE 11 HN PHE 11 0.523 3.061 0.140 88 HA PHE 11 HA PHE 11 2.672 1.274 -0.520 89 HB2 PHE 11 HB2 PHE 11 2.823 2.088 1.677 90 HB3 PHE 11 HB1 PHE 11 1.112 2.095 1.897 91 HD1 PHE 11 HD2 PHE 11 0.005 -0.327 2.389 92 HD2 PHE 11 HD1 PHE 11 4.140 0.694 2.883 93 HE1 PHE 11 HE2 PHE 11 0.239 -2.051 4.117 94 HE2 PHE 11 HE1 PHE 11 4.334 -0.993 4.614 95 HZ PHE 11 HZ PHE 11 2.405 -2.398 5.219 96 H VAL 12 HN VAL 12 2.229 -0.529 -1.878 97 HA VAL 12 HA VAL 12 -0.116 -2.239 -1.293 98 HB VAL 12 HB VAL 12 1.948 -2.726 -3.514 99 HG11 VAL 12 HG11 VAL 12 0.313 -4.197 -4.582 100 HG12 VAL 12 HG12 VAL 12 -0.712 -4.067 -3.169 101 HG13 VAL 12 HG13 VAL 12 0.881 -4.798 -3.033 102 HG21 VAL 12 HG21 VAL 12 0.388 -0.616 -3.843 103 HG22 VAL 12 HG22 VAL 12 -0.780 -1.850 -4.297 104 HG23 VAL 12 HG23 VAL 12 0.733 -1.723 -5.159 105 H GLY 13 HN GLY 13 0.456 -3.713 0.648 106 HA2 GLY 13 HA2 GLY 13 2.983 -5.221 0.241 107 HA3 GLY 13 HA1 GLY 13 2.159 -5.026 1.788 108 H GLY 14 HN GLY 14 2.871 -7.554 0.808 109 HA2 GLY 14 HA2 GLY 14 1.741 -9.584 0.884 110 HA3 GLY 14 HA1 GLY 14 0.241 -8.746 0.748 111 H ILE 15 HN ILE 15 2.986 -8.697 -1.561 112 HA ILE 15 HA ILE 15 1.123 -9.849 -3.476 113 HB ILE 15 HB ILE 15 2.819 -8.628 -5.212 114 HG12 ILE 15 HG12 ILE 15 2.551 -6.306 -3.533 115 HG13 ILE 15 HG11 ILE 15 3.533 -7.479 -2.730 116 HG21 ILE 15 HG21 ILE 15 1.149 -6.915 -5.507 117 HG22 ILE 15 HG22 ILE 15 0.590 -7.111 -3.854 118 HG23 ILE 15 HG23 ILE 15 0.284 -8.372 -5.033 119 HD11 ILE 15 HD11 ILE 15 4.896 -5.957 -3.946 120 HD12 ILE 15 HD12 ILE 15 4.040 -6.331 -5.426 121 HD13 ILE 15 HD13 ILE 15 5.023 -7.562 -4.648 122 H ASP 16 HN ASP 16 1.656 -11.731 -4.711 123 HA ASP 16 HA ASP 16 3.640 -13.377 -3.423 124 HB2 ASP 16 HB2 ASP 16 1.280 -14.002 -3.970 125 HB3 ASP 16 HB1 ASP 16 1.757 -14.306 -5.606 126 H GLU 17 HN GLU 17 4.850 -15.133 -4.837 127 HA GLU 17 HA GLU 17 6.990 -13.339 -5.291 128 HB2 GLU 17 HB2 GLU 17 8.499 -15.369 -5.419 129 HB3 GLU 17 HB1 GLU 17 7.494 -15.335 -3.980 130 HG2 GLU 17 HG2 GLU 17 5.972 -16.996 -5.156 131 HG3 GLU 17 HG1 GLU 17 7.213 -17.101 -6.402 132 H THR 18 HN THR 18 4.966 -14.475 -7.917 133 HA THR 18 HA THR 18 7.303 -14.277 -9.676 134 HB THR 18 HB THR 18 5.628 -16.145 -10.168 135 HG1 THR 18 HG1 THR 18 5.915 -14.867 -12.559 136 HG21 THR 18 HG21 THR 18 4.114 -13.945 -11.584 137 HG22 THR 18 HG22 THR 18 3.499 -14.888 -10.231 138 HG23 THR 18 HG23 THR 18 3.848 -15.678 -11.756 139 H ILE 19 HN ILE 19 5.932 -11.954 -8.198 140 HA ILE 19 HA ILE 19 5.840 -10.133 -10.495 141 HB ILE 19 HB ILE 19 5.178 -8.256 -8.929 142 HG12 ILE 19 HG12 ILE 19 4.605 -8.383 -6.710 143 HG13 ILE 19 HG11 ILE 19 3.750 -9.884 -6.907 144 HG21 ILE 19 HG21 ILE 19 3.518 -9.173 -10.397 145 HG22 ILE 19 HG22 ILE 19 2.782 -8.781 -8.848 146 HG23 ILE 19 HG23 ILE 19 3.127 -10.451 -9.246 147 HD11 ILE 19 HD11 ILE 19 5.307 -10.403 -5.324 148 HD12 ILE 19 HD12 ILE 19 6.549 -9.352 -6.003 149 HD13 ILE 19 HD13 ILE 19 6.186 -10.895 -6.763 150 H ASP 20 HN ASP 20 7.189 -8.084 -10.191 151 HA ASP 20 HA ASP 20 9.467 -8.288 -8.486 152 HB2 ASP 20 HB2 ASP 20 9.818 -9.980 -10.369 153 HB3 ASP 20 HB1 ASP 20 10.021 -8.630 -11.453 154 H GLU 21 HN GLU 21 11.188 -6.567 -9.399 155 HA GLU 21 HA GLU 21 10.088 -4.034 -9.159 156 HB2 GLU 21 HB2 GLU 21 12.791 -5.041 -9.793 157 HB3 GLU 21 HB1 GLU 21 12.453 -3.523 -10.593 158 HG2 GLU 21 HG2 GLU 21 11.859 -2.645 -8.241 159 HG3 GLU 21 HG1 GLU 21 12.755 -4.046 -7.637 160 H LYS 22 HN LYS 22 10.870 -5.565 -12.363 161 HA LYS 22 HA LYS 22 10.014 -3.145 -13.643 162 HB2 LYS 22 HB2 LYS 22 10.481 -5.381 -15.484 163 HB3 LYS 22 HB1 LYS 22 11.113 -3.758 -15.503 164 HG2 LYS 22 HG2 LYS 22 12.984 -5.146 -15.419 165 HG3 LYS 22 HG1 LYS 22 12.860 -4.566 -13.763 166 HD2 LYS 22 HD2 LYS 22 11.496 -6.773 -13.408 167 HD3 LYS 22 HD1 LYS 22 12.246 -7.268 -14.921 168 HE2 LYS 22 HE2 LYS 22 13.667 -6.386 -12.419 169 HE3 LYS 22 HE1 LYS 22 13.587 -8.027 -13.049 170 HZ1 LYS 22 HZ1 LYS 22 14.860 -7.321 -14.954 171 HZ2 LYS 22 HZ2 LYS 22 15.695 -6.924 -13.543 172 HZ3 LYS 22 HZ3 LYS 22 14.880 -5.723 -14.411 173 H SER 23 HN SER 23 8.631 -6.455 -13.275 174 HA SER 23 HA SER 23 6.465 -6.125 -14.950 175 HB2 SER 23 HB2 SER 23 5.876 -7.799 -12.650 176 HB3 SER 23 HB1 SER 23 6.145 -8.258 -14.311 177 HG SER 23 HG SER 23 7.703 -9.152 -12.871 178 H LEU 24 HN LEU 24 6.759 -5.121 -11.514 179 HA LEU 24 HA LEU 24 3.993 -4.404 -11.258 180 HB2 LEU 24 HB2 LEU 24 6.320 -3.853 -9.419 181 HB3 LEU 24 HB1 LEU 24 4.696 -3.320 -9.094 182 HG LEU 24 HG LEU 24 5.357 -6.213 -9.593 183 HD11 LEU 24 HD11 LEU 24 6.757 -5.398 -7.669 184 HD12 LEU 24 HD12 LEU 24 5.541 -6.575 -7.197 185 HD13 LEU 24 HD13 LEU 24 5.271 -4.873 -6.880 186 HD21 LEU 24 HD21 LEU 24 3.236 -6.678 -8.948 187 HD22 LEU 24 HD22 LEU 24 2.925 -5.018 -9.418 188 HD23 LEU 24 HD23 LEU 24 3.217 -5.413 -7.729 189 H TYR 25 HN TYR 25 6.632 -2.740 -12.667 190 HA TYR 25 HA TYR 25 5.609 -0.091 -12.536 191 HB2 TYR 25 HB2 TYR 25 8.024 -0.715 -13.280 192 HB3 TYR 25 HB1 TYR 25 7.386 -1.110 -14.849 193 HD1 TYR 25 HD2 TYR 25 5.731 1.341 -15.557 194 HD2 TYR 25 HD1 TYR 25 9.468 0.983 -13.471 195 HE1 TYR 25 HE2 TYR 25 6.348 3.601 -16.251 196 HE2 TYR 25 HE1 TYR 25 10.078 3.236 -14.203 197 HH TYR 25 HH TYR 25 7.894 5.440 -15.488 198 H ASP 26 HN ASP 26 5.466 -2.468 -15.365 199 HA ASP 26 HA ASP 26 3.704 -0.970 -16.899 200 HB2 ASP 26 HB2 ASP 26 5.087 -3.422 -17.292 201 HB3 ASP 26 HB1 ASP 26 3.411 -3.632 -17.791 202 H ILE 27 HN ILE 27 2.634 -3.606 -14.618 203 HA ILE 27 HA ILE 27 -0.021 -3.442 -15.560 204 HB ILE 27 HB ILE 27 0.646 -4.399 -12.714 205 HG12 ILE 27 HG12 ILE 27 0.205 -6.566 -14.627 206 HG13 ILE 27 HG11 ILE 27 1.598 -5.651 -15.155 207 HG21 ILE 27 HG21 ILE 27 -1.384 -5.668 -12.926 208 HG22 ILE 27 HG22 ILE 27 -1.580 -5.125 -14.586 209 HG23 ILE 27 HG23 ILE 27 -1.691 -3.978 -13.267 210 HD11 ILE 27 HD11 ILE 27 2.162 -7.625 -13.822 211 HD12 ILE 27 HD12 ILE 27 1.307 -6.975 -12.434 212 HD13 ILE 27 HD13 ILE 27 2.741 -6.150 -13.059 213 H PHE 28 HN PHE 28 1.596 -1.480 -12.913 214 HA PHE 28 HA PHE 28 -0.866 -0.106 -12.418 215 HB2 PHE 28 HB2 PHE 28 1.876 -0.062 -11.323 216 HB3 PHE 28 HB1 PHE 28 0.892 1.388 -11.081 217 HD1 PHE 28 HD2 PHE 28 0.835 -2.282 -10.631 218 HD2 PHE 28 HD1 PHE 28 -0.565 1.508 -9.279 219 HE1 PHE 28 HE2 PHE 28 -0.221 -3.370 -8.716 220 HE2 PHE 28 HE1 PHE 28 -1.641 0.434 -7.345 221 HZ PHE 28 HZ PHE 28 -1.485 -2.017 -7.067 222 H SER 29 HN SER 29 1.278 0.265 -15.055 223 HA SER 29 HA SER 29 1.204 3.166 -14.941 224 HB2 SER 29 HB2 SER 29 2.560 3.030 -17.083 225 HB3 SER 29 HB1 SER 29 3.396 2.575 -15.606 226 HG SER 29 HG SER 29 2.716 1.092 -17.815 227 H SER 30 HN SER 30 -0.865 0.811 -15.982 228 HA SER 30 HA SER 30 -1.727 1.724 -18.511 229 HB2 SER 30 HB2 SER 30 -3.898 0.483 -17.879 230 HB3 SER 30 HB1 SER 30 -2.417 -0.475 -17.920 231 HG SER 30 HG SER 30 -2.458 -0.670 -15.783 232 H PHE 31 HN PHE 31 -2.952 2.646 -15.209 233 HA PHE 31 HA PHE 31 -4.331 4.878 -16.471 234 HB2 PHE 31 HB2 PHE 31 -4.443 3.579 -13.844 235 HB3 PHE 31 HB1 PHE 31 -4.529 5.333 -13.778 236 HD1 PHE 31 HD1 PHE 31 -5.973 2.708 -16.037 237 HD2 PHE 31 HD2 PHE 31 -6.657 6.084 -13.532 238 HE1 PHE 31 HE1 PHE 31 -8.378 2.610 -16.563 239 HE2 PHE 31 HE2 PHE 31 -9.058 5.993 -14.055 240 HZ PHE 31 HZ PHE 31 -9.922 4.252 -15.569 241 H GLY 32 HN GLY 32 -1.494 4.413 -14.361 242 HA2 GLY 32 HA2 GLY 32 -0.692 7.220 -14.802 243 HA3 GLY 32 HA1 GLY 32 -0.749 6.509 -13.220 244 H ASP 33 HN ASP 33 1.381 7.245 -15.609 245 HA ASP 33 HA ASP 33 3.299 5.171 -15.340 246 HB2 ASP 33 HB2 ASP 33 4.004 8.050 -16.014 247 HB3 ASP 33 HB1 ASP 33 4.976 6.613 -16.292 248 H ILE 34 HN ILE 34 5.635 5.527 -14.290 249 HA ILE 34 HA ILE 34 4.891 5.998 -11.452 250 HB ILE 34 HB ILE 34 6.442 3.632 -12.632 251 HG12 ILE 34 HG12 ILE 34 4.038 3.129 -12.775 252 HG13 ILE 34 HG11 ILE 34 4.692 2.220 -11.459 253 HG21 ILE 34 HG21 ILE 34 7.589 4.251 -10.651 254 HG22 ILE 34 HG22 ILE 34 6.806 2.702 -10.467 255 HG23 ILE 34 HG23 ILE 34 6.125 4.119 -9.700 256 HD11 ILE 34 HD11 ILE 34 2.470 3.701 -11.315 257 HD12 ILE 34 HD12 ILE 34 3.624 4.802 -10.618 258 HD13 ILE 34 HD13 ILE 34 3.435 3.201 -9.939 259 H ARG 35 HN ARG 35 6.502 6.951 -9.908 260 HA ARG 35 HA ARG 35 8.775 8.319 -11.110 261 HB2 ARG 35 HB2 ARG 35 7.148 8.810 -8.781 262 HB3 ARG 35 HB1 ARG 35 8.813 8.728 -8.222 263 HG2 ARG 35 HG2 ARG 35 9.474 10.592 -9.429 264 HG3 ARG 35 HG1 ARG 35 8.088 10.572 -10.493 265 HD2 ARG 35 HD2 ARG 35 7.155 10.835 -7.794 266 HD3 ARG 35 HD1 ARG 35 8.440 11.999 -8.085 267 HE ARG 35 HE ARG 35 6.015 11.760 -9.734 268 HH11 ARG 35 HH12 ARG 35 8.501 13.725 -8.204 269 HH12 ARG 35 HH11 ARG 35 7.865 15.213 -8.814 270 HH21 ARG 35 HH22 ARG 35 5.244 13.720 -10.612 271 HH22 ARG 35 HH21 ARG 35 6.014 15.211 -10.181 272 H ASN 36 HN ASN 36 8.714 5.491 -8.770 273 HA ASN 36 HA ASN 36 11.441 5.025 -8.693 274 HB2 ASN 36 HB2 ASN 36 11.568 7.397 -7.794 275 HB3 ASN 36 HB1 ASN 36 10.642 6.867 -6.397 276 HD21 ASN 36 HD21 ASN 36 12.214 7.185 -4.765 277 HD22 ASN 36 HD22 ASN 36 13.712 6.328 -4.761 278 H ILE 37 HN ILE 37 11.817 3.263 -6.579 279 HA ILE 37 HA ILE 37 9.176 2.338 -5.857 280 HB ILE 37 HB ILE 37 10.654 1.112 -8.225 281 HG12 ILE 37 HG12 ILE 37 8.073 2.374 -7.827 282 HG13 ILE 37 HG11 ILE 37 8.970 2.094 -9.295 283 HG21 ILE 37 HG21 ILE 37 9.374 -0.955 -8.185 284 HG22 ILE 37 HG22 ILE 37 8.798 -0.590 -6.567 285 HG23 ILE 37 HG23 ILE 37 10.520 -0.830 -6.863 286 HD11 ILE 37 HD11 ILE 37 7.259 -0.006 -8.009 287 HD12 ILE 37 HD12 ILE 37 8.009 -0.023 -9.589 288 HD13 ILE 37 HD13 ILE 37 6.702 1.101 -9.260 289 H GLU 38 HN GLU 38 9.350 1.373 -3.908 290 HA GLU 38 HA GLU 38 11.983 0.192 -3.137 291 HB2 GLU 38 HB2 GLU 38 10.695 2.186 -1.669 292 HB3 GLU 38 HB1 GLU 38 10.018 0.776 -0.898 293 HG2 GLU 38 HG2 GLU 38 12.013 0.161 0.079 294 HG3 GLU 38 HG1 GLU 38 12.977 1.045 -1.079 295 H VAL 39 HN VAL 39 11.870 -2.031 -3.606 296 HA VAL 39 HA VAL 39 9.739 -3.529 -2.259 297 HB VAL 39 HB VAL 39 10.418 -4.269 -5.143 298 HG11 VAL 39 HG11 VAL 39 8.535 -5.775 -5.042 299 HG12 VAL 39 HG12 VAL 39 8.137 -5.233 -3.421 300 HG13 VAL 39 HG13 VAL 39 9.635 -6.108 -3.706 301 HG21 VAL 39 HG21 VAL 39 9.092 -2.274 -5.452 302 HG22 VAL 39 HG22 VAL 39 7.886 -2.851 -4.318 303 HG23 VAL 39 HG23 VAL 39 8.122 -3.681 -5.843 304 HA PRO 40 HA PRO 40 13.981 -5.492 -1.722 305 HB2 PRO 40 HB2 PRO 40 13.121 -6.748 0.619 306 HB3 PRO 40 HB1 PRO 40 14.088 -5.267 0.542 307 HG2 PRO 40 HG2 PRO 40 11.207 -5.593 1.003 308 HG3 PRO 40 HG1 PRO 40 12.342 -4.403 1.651 309 HD2 PRO 40 HD2 PRO 40 10.596 -3.769 -0.297 310 HD3 PRO 40 HD1 PRO 40 12.211 -3.070 -0.188 311 H LEU 41 HN LEU 41 14.072 -7.328 -3.062 312 HA LEU 41 HA LEU 41 11.957 -9.397 -2.643 313 HB2 LEU 41 HB2 LEU 41 13.228 -8.470 -5.175 314 HB3 LEU 41 HB1 LEU 41 13.190 -10.204 -5.024 315 HG LEU 41 HG LEU 41 11.228 -9.917 -6.203 316 HD11 LEU 41 HD11 LEU 41 9.153 -9.715 -4.991 317 HD12 LEU 41 HD12 LEU 41 9.989 -9.123 -3.581 318 HD13 LEU 41 HD13 LEU 41 10.244 -10.769 -4.132 319 HD21 LEU 41 HD21 LEU 41 10.707 -7.229 -5.019 320 HD22 LEU 41 HD22 LEU 41 9.790 -8.007 -6.292 321 HD23 LEU 41 HD23 LEU 41 11.465 -7.521 -6.589 322 H ASN 42 HN ASN 42 12.802 -11.292 -1.625 323 HA ASN 42 HA ASN 42 15.572 -11.000 -0.815 324 HB2 ASN 42 HB2 ASN 42 14.118 -11.658 0.983 325 HB3 ASN 42 HB1 ASN 42 13.403 -12.982 0.090 326 HD21 ASN 42 HD21 ASN 42 14.672 -12.680 2.740 327 HD22 ASN 42 HD22 ASN 42 15.901 -13.891 2.821 328 H MET 43 HN MET 43 17.404 -12.153 -1.701 329 HA MET 43 HA MET 43 16.907 -13.150 -4.282 330 HB2 MET 43 HB2 MET 43 19.053 -11.931 -3.119 331 HB3 MET 43 HB1 MET 43 19.654 -13.581 -3.168 332 HG2 MET 43 HG2 MET 43 19.196 -13.581 -5.667 333 HG3 MET 43 HG1 MET 43 18.781 -11.868 -5.508 334 HE1 MET 43 HE1 MET 43 20.476 -10.022 -4.603 335 HE2 MET 43 HE2 MET 43 22.190 -10.316 -4.317 336 HE3 MET 43 HE3 MET 43 20.988 -10.986 -3.216 337 H THR 44 HN THR 44 16.555 -15.072 -1.528 338 HA THR 44 HA THR 44 17.593 -17.402 -2.942 339 HB THR 44 HB THR 44 16.809 -17.234 0.018 340 HG1 THR 44 HG1 THR 44 18.842 -16.787 0.255 341 HG21 THR 44 HG21 THR 44 16.423 -19.593 -0.974 342 HG22 THR 44 HG22 THR 44 17.565 -19.465 0.352 343 HG23 THR 44 HG23 THR 44 18.163 -19.625 -1.293 344 H THR 45 HN THR 45 14.373 -16.633 -1.301 345 HA THR 45 HA THR 45 13.275 -18.384 -3.374 346 HB THR 45 HB THR 45 12.663 -19.705 -1.724 347 HG1 THR 45 HG1 THR 45 10.638 -18.299 -2.421 348 HG21 THR 45 HG21 THR 45 12.591 -17.460 0.301 349 HG22 THR 45 HG22 THR 45 13.727 -18.810 0.189 350 HG23 THR 45 HG23 THR 45 12.059 -19.102 0.645 351 H LYS 46 HN LYS 46 13.646 -15.309 -3.240 352 HA LYS 46 HA LYS 46 12.697 -13.420 -3.945 353 HB2 LYS 46 HB2 LYS 46 12.176 -14.908 -5.903 354 HB3 LYS 46 HB1 LYS 46 10.591 -15.203 -5.225 355 HG2 LYS 46 HG2 LYS 46 9.954 -13.571 -6.613 356 HG3 LYS 46 HG1 LYS 46 10.560 -12.483 -5.372 357 HD2 LYS 46 HD2 LYS 46 11.593 -11.645 -7.271 358 HD3 LYS 46 HD1 LYS 46 12.826 -12.763 -6.715 359 HE2 LYS 46 HE2 LYS 46 12.593 -13.103 -9.053 360 HE3 LYS 46 HE1 LYS 46 11.833 -14.477 -8.250 361 HZ1 LYS 46 HZ1 LYS 46 9.675 -13.457 -8.593 362 HZ2 LYS 46 HZ2 LYS 46 10.481 -13.648 -10.069 363 HZ3 LYS 46 HZ3 LYS 46 10.394 -12.118 -9.346 364 H LYS 47 HN LYS 47 12.170 -13.133 -1.487 365 HA LYS 47 HA LYS 47 9.250 -13.230 -1.000 366 HB2 LYS 47 HB2 LYS 47 11.471 -14.009 0.935 367 HB3 LYS 47 HB1 LYS 47 9.787 -13.906 1.386 368 HG2 LYS 47 HG2 LYS 47 11.149 -15.983 -0.349 369 HG3 LYS 47 HG1 LYS 47 10.195 -16.198 1.117 370 HD2 LYS 47 HD2 LYS 47 8.985 -15.186 -1.478 371 HD3 LYS 47 HD1 LYS 47 9.068 -16.892 -1.054 372 HE2 LYS 47 HE2 LYS 47 7.723 -14.829 0.688 373 HE3 LYS 47 HE1 LYS 47 6.874 -15.786 -0.524 374 HZ1 LYS 47 HZ1 LYS 47 8.350 -16.878 1.820 375 HZ2 LYS 47 HZ2 LYS 47 7.554 -17.799 0.647 376 HZ3 LYS 47 HZ3 LYS 47 6.669 -16.784 1.666 377 H ASN 48 HN ASN 48 8.290 -11.461 0.101 378 HA ASN 48 HA ASN 48 10.035 -9.117 -0.122 379 HB2 ASN 48 HB2 ASN 48 7.885 -7.812 -0.154 380 HB3 ASN 48 HB1 ASN 48 8.150 -8.876 -1.540 381 HD21 ASN 48 HD21 ASN 48 6.885 -10.807 -1.708 382 HD22 ASN 48 HD22 ASN 48 5.476 -11.047 -0.730 383 H ARG 49 HN ARG 49 8.901 -11.048 2.374 384 HA ARG 49 HA ARG 49 8.081 -10.812 4.470 385 HB2 ARG 49 HB2 ARG 49 9.603 -9.045 5.861 386 HB3 ARG 49 HB1 ARG 49 10.102 -10.673 5.506 387 HG2 ARG 49 HG2 ARG 49 11.252 -9.617 3.417 388 HG3 ARG 49 HG1 ARG 49 11.073 -8.090 4.297 389 HD2 ARG 49 HD2 ARG 49 12.421 -8.941 6.113 390 HD3 ARG 49 HD1 ARG 49 12.476 -10.543 5.403 391 HE ARG 49 HE ARG 49 13.467 -8.719 3.538 392 HH11 ARG 49 HH12 ARG 49 14.414 -10.156 6.615 393 HH12 ARG 49 HH11 ARG 49 16.110 -10.026 6.284 394 HH21 ARG 49 HH21 ARG 49 15.694 -8.588 3.102 395 HH22 ARG 49 HH22 ARG 49 16.835 -9.130 4.281 396 H GLY 50 HN GLY 50 6.079 -9.759 3.406 397 HA2 GLY 50 HA2 GLY 50 4.206 -8.814 4.283 398 HA3 GLY 50 HA1 GLY 50 5.181 -8.202 5.589 399 H PHE 51 HN PHE 51 6.280 -6.839 2.517 400 HA PHE 51 HA PHE 51 4.585 -4.567 2.812 401 HB2 PHE 51 HB2 PHE 51 5.710 -3.119 4.270 402 HB3 PHE 51 HB1 PHE 51 5.901 -4.668 5.027 403 HD1 PHE 51 HD2 PHE 51 8.200 -5.707 5.198 404 HD2 PHE 51 HD1 PHE 51 7.586 -1.761 3.650 405 HE1 PHE 51 HE2 PHE 51 10.587 -5.232 5.449 406 HE2 PHE 51 HE1 PHE 51 9.954 -1.280 3.965 407 HZ PHE 51 HZ PHE 51 11.460 -3.004 4.847 408 H ALA 52 HN ALA 52 4.645 -3.511 0.655 409 HA ALA 52 HA ALA 52 7.355 -2.728 -0.265 410 HB1 ALA 52 HB1 ALA 52 6.498 -2.813 -2.621 411 HB2 ALA 52 HB2 ALA 52 5.058 -3.618 -2.024 412 HB3 ALA 52 HB3 ALA 52 6.625 -4.383 -1.858 413 H PHE 53 HN PHE 53 7.591 -0.573 -0.994 414 HA PHE 53 HA PHE 53 5.380 1.298 -0.572 415 HB2 PHE 53 HB2 PHE 53 8.354 1.687 -0.916 416 HB3 PHE 53 HB1 PHE 53 7.250 3.034 -0.909 417 HD1 PHE 53 HD2 PHE 53 7.916 0.037 1.372 418 HD2 PHE 53 HD1 PHE 53 7.302 4.267 1.057 419 HE1 PHE 53 HE2 PHE 53 8.153 0.270 3.774 420 HE2 PHE 53 HE1 PHE 53 7.563 4.433 3.462 421 HZ PHE 53 HZ PHE 53 7.987 2.460 4.827 422 H VAL 54 HN VAL 54 4.591 2.824 -2.466 423 HA VAL 54 HA VAL 54 5.827 2.334 -5.052 424 HB VAL 54 HB VAL 54 2.775 2.010 -4.958 425 HG11 VAL 54 HG11 VAL 54 2.641 1.597 -7.240 426 HG12 VAL 54 HG12 VAL 54 4.376 1.591 -7.421 427 HG13 VAL 54 HG13 VAL 54 3.540 3.095 -7.051 428 HG21 VAL 54 HG21 VAL 54 4.772 -0.132 -5.430 429 HG22 VAL 54 HG22 VAL 54 3.132 -0.196 -6.032 430 HG23 VAL 54 HG23 VAL 54 3.413 -0.100 -4.311 431 H GLU 55 HN GLU 55 6.447 4.676 -5.612 432 HA GLU 55 HA GLU 55 4.462 6.692 -5.132 433 HB2 GLU 55 HB2 GLU 55 7.242 6.580 -5.608 434 HB3 GLU 55 HB1 GLU 55 6.541 7.617 -6.851 435 HG2 GLU 55 HG2 GLU 55 7.369 8.820 -4.884 436 HG3 GLU 55 HG1 GLU 55 5.711 9.123 -5.232 437 H TYR 56 HN TYR 56 3.148 7.927 -6.648 438 HA TYR 56 HA TYR 56 2.966 6.907 -9.423 439 HB2 TYR 56 HB2 TYR 56 0.891 7.752 -7.567 440 HB3 TYR 56 HB1 TYR 56 0.891 8.818 -8.958 441 HD1 TYR 56 HD1 TYR 56 0.994 5.063 -8.403 442 HD2 TYR 56 HD2 TYR 56 -0.601 8.374 -10.569 443 HE1 TYR 56 HE1 TYR 56 -0.566 3.594 -9.476 444 HE2 TYR 56 HE2 TYR 56 -2.149 6.878 -11.693 445 HH TYR 56 HH TYR 56 -2.709 3.693 -10.649 446 H VAL 57 HN VAL 57 2.413 8.799 -11.243 447 HA VAL 57 HA VAL 57 3.869 11.225 -10.540 448 HB VAL 57 HB VAL 57 3.202 10.089 -13.256 449 HG11 VAL 57 HG11 VAL 57 2.289 12.222 -13.781 450 HG12 VAL 57 HG12 VAL 57 3.948 12.235 -14.343 451 HG13 VAL 57 HG13 VAL 57 3.530 13.064 -12.850 452 HG21 VAL 57 HG21 VAL 57 5.405 10.782 -13.811 453 HG22 VAL 57 HG22 VAL 57 5.444 9.953 -12.277 454 HG23 VAL 57 HG23 VAL 57 5.546 11.696 -12.324 455 H GLU 58 HN GLU 58 0.367 10.542 -11.250 456 HA GLU 58 HA GLU 58 0.043 13.448 -11.321 457 HB2 GLU 58 HB2 GLU 58 -2.296 12.568 -12.456 458 HB3 GLU 58 HB1 GLU 58 -0.964 13.190 -13.343 459 HG2 GLU 58 HG2 GLU 58 -1.178 10.251 -12.808 460 HG3 GLU 58 HG1 GLU 58 -2.108 11.030 -14.087 461 H VAL 59 HN VAL 59 -1.307 14.473 -9.603 462 HA VAL 59 HA VAL 59 -1.878 12.618 -7.548 463 HB VAL 59 HB VAL 59 -1.494 14.181 -6.139 464 HG11 VAL 59 HG11 VAL 59 -1.288 16.256 -8.253 465 HG12 VAL 59 HG12 VAL 59 0.011 15.249 -7.602 466 HG13 VAL 59 HG13 VAL 59 -0.786 16.429 -6.585 467 HG21 VAL 59 HG21 VAL 59 -2.747 16.082 -5.486 468 HG22 VAL 59 HG22 VAL 59 -3.884 14.838 -5.962 469 HG23 VAL 59 HG23 VAL 59 -3.530 16.168 -7.049 470 H ASP 60 HN ASP 60 -4.289 14.123 -9.785 471 HA ASP 60 HA ASP 60 -6.585 13.224 -8.267 472 HB2 ASP 60 HB2 ASP 60 -6.879 14.900 -10.032 473 HB3 ASP 60 HB1 ASP 60 -6.468 13.707 -11.264 474 H ASP 61 HN ASP 61 -5.288 11.707 -11.214 475 HA ASP 61 HA ASP 61 -6.473 9.306 -11.220 476 HB2 ASP 61 HB2 ASP 61 -3.557 9.629 -12.007 477 HB3 ASP 61 HB1 ASP 61 -4.666 8.373 -12.565 478 H ALA 62 HN ALA 62 -3.494 9.797 -9.224 479 HA ALA 62 HA ALA 62 -3.128 7.497 -7.944 480 HB1 ALA 62 HB1 ALA 62 -1.906 9.523 -7.393 481 HB2 ALA 62 HB2 ALA 62 -2.468 8.719 -5.954 482 HB3 ALA 62 HB3 ALA 62 -3.294 10.146 -6.530 483 H LYS 63 HN LYS 63 -5.402 9.831 -6.506 484 HA LYS 63 HA LYS 63 -6.669 8.247 -4.619 485 HB2 LYS 63 HB2 LYS 63 -7.851 10.556 -6.164 486 HB3 LYS 63 HB1 LYS 63 -8.874 9.554 -5.174 487 HG2 LYS 63 HG2 LYS 63 -8.351 11.454 -3.898 488 HG3 LYS 63 HG1 LYS 63 -7.465 10.116 -3.190 489 HD2 LYS 63 HD2 LYS 63 -5.374 10.981 -4.036 490 HD3 LYS 63 HD1 LYS 63 -6.213 12.155 -5.058 491 HE2 LYS 63 HE2 LYS 63 -6.531 12.128 -2.072 492 HE3 LYS 63 HE1 LYS 63 -5.223 12.996 -2.852 493 HZ1 LYS 63 HZ1 LYS 63 -6.912 14.213 -4.155 494 HZ2 LYS 63 HZ2 LYS 63 -7.071 14.469 -2.491 495 HZ3 LYS 63 HZ3 LYS 63 -8.129 13.420 -3.286 496 H HIS 64 HN HIS 64 -7.979 8.429 -8.004 497 HA HIS 64 HA HIS 64 -9.973 6.543 -7.503 498 HB2 HIS 64 HB2 HIS 64 -8.940 7.550 -10.103 499 HB3 HIS 64 HB1 HIS 64 -9.919 6.109 -10.077 500 HD1 HIS 64 HD1 HIS 64 -12.373 6.363 -9.212 501 HD2 HIS 64 HD2 HIS 64 -10.319 9.936 -9.831 502 HE1 HIS 64 HE1 HIS 64 -14.108 8.175 -9.162 503 HE2 HIS 64 HE2 HIS 64 -12.841 10.326 -9.482 504 H ALA 65 HN ALA 65 -6.585 5.839 -8.570 505 HA ALA 65 HA ALA 65 -7.068 3.108 -9.050 506 HB1 ALA 65 HB1 ALA 65 -5.073 3.993 -9.897 507 HB2 ALA 65 HB2 ALA 65 -4.663 2.707 -8.775 508 HB3 ALA 65 HB3 ALA 65 -4.459 4.392 -8.296 509 H LEU 66 HN LEU 66 -5.735 4.449 -5.907 510 HA LEU 66 HA LEU 66 -5.859 1.984 -4.670 511 HB2 LEU 66 HB2 LEU 66 -4.742 2.849 -3.006 512 HB3 LEU 66 HB1 LEU 66 -4.883 4.397 -3.718 513 HG LEU 66 HG LEU 66 -7.005 4.648 -2.124 514 HD11 LEU 66 HD11 LEU 66 -5.443 2.664 -0.488 515 HD12 LEU 66 HD12 LEU 66 -6.890 2.221 -1.387 516 HD13 LEU 66 HD13 LEU 66 -6.985 3.425 -0.111 517 HD21 LEU 66 HD21 LEU 66 -5.142 6.083 -1.732 518 HD22 LEU 66 HD22 LEU 66 -4.150 4.747 -1.184 519 HD23 LEU 66 HD23 LEU 66 -5.502 5.296 -0.201 520 H TYR 67 HN TYR 67 -8.659 4.294 -4.628 521 HA TYR 67 HA TYR 67 -10.298 2.613 -3.125 522 HB2 TYR 67 HB2 TYR 67 -10.664 5.018 -4.140 523 HB3 TYR 67 HB1 TYR 67 -11.421 4.120 -5.448 524 HD1 TYR 67 HD1 TYR 67 -11.636 5.052 -1.895 525 HD2 TYR 67 HD2 TYR 67 -13.540 2.999 -5.121 526 HE1 TYR 67 HE1 TYR 67 -13.698 4.914 -0.591 527 HE2 TYR 67 HE2 TYR 67 -15.606 2.871 -3.806 528 HH TYR 67 HH TYR 67 -16.370 2.985 -1.576 529 H ASN 68 HN ASN 68 -9.749 2.409 -6.683 530 HA ASN 68 HA ASN 68 -11.345 0.067 -6.981 531 HB2 ASN 68 HB2 ASN 68 -10.531 1.608 -8.891 532 HB3 ASN 68 HB1 ASN 68 -9.016 0.703 -8.857 533 HD21 ASN 68 HD21 ASN 68 -8.950 -1.355 -9.637 534 HD22 ASN 68 HD22 ASN 68 -10.236 -2.055 -10.540 535 H MET 69 HN MET 69 -8.552 0.126 -5.108 536 HA MET 69 HA MET 69 -7.399 -2.244 -6.386 537 HB2 MET 69 HB2 MET 69 -6.099 -0.028 -4.852 538 HB3 MET 69 HB1 MET 69 -5.348 -1.605 -4.852 539 HG2 MET 69 HG2 MET 69 -5.678 0.328 -7.101 540 HG3 MET 69 HG1 MET 69 -4.273 -0.597 -6.594 541 HE1 MET 69 HE1 MET 69 -4.911 -1.825 -10.268 542 HE2 MET 69 HE2 MET 69 -3.708 -1.175 -9.158 543 HE3 MET 69 HE3 MET 69 -5.100 -0.193 -9.618 544 H ASN 70 HN ASN 70 -9.262 -1.466 -3.661 545 HA ASN 70 HA ASN 70 -8.234 -3.390 -1.821 546 HB2 ASN 70 HB2 ASN 70 -10.401 -3.344 -0.653 547 HB3 ASN 70 HB1 ASN 70 -9.889 -1.706 -0.986 548 HD21 ASN 70 HD21 ASN 70 -11.121 -0.473 -2.459 549 HD22 ASN 70 HD22 ASN 70 -12.719 -0.946 -2.917 550 H ASN 71 HN ASN 71 -10.915 -3.691 -4.214 551 HA ASN 71 HA ASN 71 -11.156 -6.479 -3.789 552 HB2 ASN 71 HB2 ASN 71 -12.787 -6.512 -5.542 553 HB3 ASN 71 HB1 ASN 71 -13.038 -5.110 -4.513 554 HD21 ASN 71 HD21 ASN 71 -12.748 -3.038 -5.385 555 HD22 ASN 71 HD22 ASN 71 -12.594 -2.773 -7.082 556 H PHE 72 HN PHE 72 -9.075 -4.773 -6.047 557 HA PHE 72 HA PHE 72 -8.993 -6.698 -8.090 558 HB2 PHE 72 HB2 PHE 72 -8.127 -4.677 -8.873 559 HB3 PHE 72 HB1 PHE 72 -7.219 -4.342 -7.403 560 HD1 PHE 72 HD2 PHE 72 -7.250 -6.406 -10.514 561 HD2 PHE 72 HD1 PHE 72 -4.908 -4.817 -7.325 562 HE1 PHE 72 HE2 PHE 72 -5.176 -7.100 -11.678 563 HE2 PHE 72 HE1 PHE 72 -2.850 -5.519 -8.477 564 HZ PHE 72 HZ PHE 72 -2.986 -6.662 -10.650 565 H GLU 73 HN GLU 73 -8.071 -8.774 -8.117 566 HA GLU 73 HA GLU 73 -6.757 -9.569 -5.665 567 HB2 GLU 73 HB2 GLU 73 -7.464 -11.810 -6.103 568 HB3 GLU 73 HB1 GLU 73 -8.853 -10.828 -6.475 569 HG2 GLU 73 HG2 GLU 73 -6.997 -12.201 -8.439 570 HG3 GLU 73 HG1 GLU 73 -8.635 -12.573 -8.096 571 H LEU 74 HN LEU 74 -4.815 -11.095 -5.757 572 HA LEU 74 HA LEU 74 -3.365 -11.010 -8.334 573 HB2 LEU 74 HB2 LEU 74 -2.445 -9.263 -6.426 574 HB3 LEU 74 HB1 LEU 74 -1.567 -10.702 -5.895 575 HG LEU 74 HG LEU 74 -1.075 -10.715 -8.604 576 HD11 LEU 74 HD11 LEU 74 -1.114 -7.846 -7.703 577 HD12 LEU 74 HD12 LEU 74 -2.168 -8.586 -8.907 578 HD13 LEU 74 HD13 LEU 74 -0.438 -8.438 -9.222 579 HD21 LEU 74 HD21 LEU 74 0.601 -10.878 -6.583 580 HD22 LEU 74 HD22 LEU 74 0.793 -9.140 -6.842 581 HD23 LEU 74 HD23 LEU 74 1.159 -10.267 -8.135 582 H ASN 75 HN ASN 75 -3.110 -13.370 -8.854 583 HA ASN 75 HA ASN 75 -2.558 -15.616 -8.522 584 HB2 ASN 75 HB2 ASN 75 -0.608 -14.265 -6.567 585 HB3 ASN 75 HB1 ASN 75 -0.614 -16.008 -6.796 586 HD21 ASN 75 HD21 ASN 75 1.774 -15.748 -7.501 587 HD22 ASN 75 HD22 ASN 75 2.062 -15.245 -9.130 588 H GLY 76 HN GLY 76 -4.975 -15.354 -7.326 589 HA2 GLY 76 HA2 GLY 76 -6.390 -16.431 -5.920 590 HA3 GLY 76 HA1 GLY 76 -5.038 -17.410 -5.437 591 H LYS 77 HN LYS 77 -5.009 -13.966 -4.883 592 HA LYS 77 HA LYS 77 -5.476 -14.345 -2.094 593 HB2 LYS 77 HB2 LYS 77 -3.365 -14.617 -1.486 594 HB3 LYS 77 HB1 LYS 77 -2.743 -14.343 -3.087 595 HG2 LYS 77 HG2 LYS 77 -3.407 -11.946 -1.419 596 HG3 LYS 77 HG1 LYS 77 -1.971 -12.876 -1.016 597 HD2 LYS 77 HD2 LYS 77 -2.456 -11.919 -3.830 598 HD3 LYS 77 HD1 LYS 77 -1.776 -10.832 -2.615 599 HE2 LYS 77 HE2 LYS 77 -0.552 -13.180 -3.976 600 HE3 LYS 77 HE1 LYS 77 0.129 -11.638 -3.518 601 HZ1 LYS 77 HZ1 LYS 77 1.071 -13.412 -2.193 602 HZ2 LYS 77 HZ2 LYS 77 -0.459 -13.838 -1.621 603 HZ3 LYS 77 HZ3 LYS 77 0.205 -12.334 -1.215 604 H ARG 78 HN ARG 78 -5.618 -12.258 -0.833 605 HA ARG 78 HA ARG 78 -6.555 -10.101 -2.604 606 HB2 ARG 78 HB2 ARG 78 -8.133 -10.774 -0.826 607 HB3 ARG 78 HB1 ARG 78 -6.905 -10.564 0.409 608 HG2 ARG 78 HG2 ARG 78 -8.188 -8.719 0.751 609 HG3 ARG 78 HG1 ARG 78 -7.004 -8.030 -0.360 610 HD2 ARG 78 HD2 ARG 78 -9.067 -7.318 -1.180 611 HD3 ARG 78 HD1 ARG 78 -8.675 -8.706 -2.195 612 HE ARG 78 HE ARG 78 -10.106 -9.953 -0.423 613 HH11 ARG 78 HH12 ARG 78 -10.746 -6.731 -1.697 614 HH12 ARG 78 HH11 ARG 78 -12.462 -6.862 -1.467 615 HH21 ARG 78 HH21 ARG 78 -12.341 -10.076 -0.085 616 HH22 ARG 78 HH22 ARG 78 -13.360 -8.757 -0.546 617 H ILE 79 HN ILE 79 -5.587 -7.824 -2.392 618 HA ILE 79 HA ILE 79 -3.152 -7.702 -0.698 619 HB ILE 79 HB ILE 79 -3.043 -5.285 -1.839 620 HG12 ILE 79 HG12 ILE 79 -4.283 -6.907 -4.094 621 HG13 ILE 79 HG11 ILE 79 -5.099 -5.578 -3.265 622 HG21 ILE 79 HG21 ILE 79 -1.695 -6.434 -3.711 623 HG22 ILE 79 HG22 ILE 79 -2.016 -7.900 -2.784 624 HG23 ILE 79 HG23 ILE 79 -1.182 -6.535 -2.040 625 HD11 ILE 79 HD11 ILE 79 -4.097 -4.890 -5.401 626 HD12 ILE 79 HD12 ILE 79 -2.512 -5.349 -4.800 627 HD13 ILE 79 HD13 ILE 79 -3.394 -4.025 -4.039 628 H HIS 80 HN HIS 80 -2.911 -6.328 1.108 629 HA HIS 80 HA HIS 80 -5.260 -4.657 1.787 630 HB2 HIS 80 HB2 HIS 80 -2.638 -5.107 3.305 631 HB3 HIS 80 HB1 HIS 80 -3.870 -3.991 3.843 632 HD1 HIS 80 HD1 HIS 80 -2.855 -6.374 5.494 633 HD2 HIS 80 HD2 HIS 80 -6.357 -6.423 3.240 634 HE1 HIS 80 HE1 HIS 80 -4.346 -8.077 6.571 635 HE2 HIS 80 HE2 HIS 80 -6.460 -8.065 5.219 636 H VAL 81 HN VAL 81 -5.369 -2.388 1.198 637 HA VAL 81 HA VAL 81 -2.849 -1.242 0.166 638 HB VAL 81 HB VAL 81 -5.666 -0.965 -1.047 639 HG11 VAL 81 HG11 VAL 81 -4.585 0.088 -2.978 640 HG12 VAL 81 HG12 VAL 81 -3.125 0.278 -2.037 641 HG13 VAL 81 HG13 VAL 81 -4.612 1.068 -1.527 642 HG21 VAL 81 HG21 VAL 81 -3.276 -2.434 -2.186 643 HG22 VAL 81 HG22 VAL 81 -4.747 -2.112 -3.035 644 HG23 VAL 81 HG23 VAL 81 -4.777 -3.154 -1.648 645 H ASN 82 HN ASN 82 -2.281 0.794 1.365 646 HA ASN 82 HA ASN 82 -4.455 2.566 2.250 647 HB2 ASN 82 HB2 ASN 82 -3.465 2.607 4.615 648 HB3 ASN 82 HB1 ASN 82 -4.470 1.230 4.208 649 HD21 ASN 82 HD21 ASN 82 -3.426 -0.759 3.730 650 HD22 ASN 82 HD22 ASN 82 -1.855 -1.094 4.330 651 H TYR 83 HN TYR 83 -3.245 4.481 3.734 652 HA TYR 83 HA TYR 83 -1.332 5.465 1.768 653 HB2 TYR 83 HB2 TYR 83 -3.049 7.162 2.017 654 HB3 TYR 83 HB1 TYR 83 -3.074 6.995 3.780 655 HD1 TYR 83 HD2 TYR 83 -0.814 8.235 0.963 656 HD2 TYR 83 HD1 TYR 83 -1.974 8.643 5.040 657 HE1 TYR 83 HE2 TYR 83 0.674 10.159 1.205 658 HE2 TYR 83 HE1 TYR 83 -0.485 10.577 5.264 659 HH TYR 83 HH TYR 83 0.987 12.107 2.602 660 H SER 84 HN SER 84 0.706 6.962 2.813 661 HA SER 84 HA SER 84 1.933 4.978 4.594 662 HB2 SER 84 HB2 SER 84 2.677 6.024 1.981 663 HB3 SER 84 HB1 SER 84 3.966 6.238 3.137 664 HG SER 84 HG SER 84 3.999 4.214 2.005 665 H LYS 85 HN LYS 85 4.373 6.135 4.872 666 HA LYS 85 HA LYS 85 3.739 8.051 7.053 667 HB2 LYS 85 HB2 LYS 85 6.200 6.239 6.798 668 HB3 LYS 85 HB1 LYS 85 5.759 7.202 8.184 669 HG2 LYS 85 HG2 LYS 85 4.002 4.875 7.292 670 HG3 LYS 85 HG1 LYS 85 5.383 4.644 8.350 671 HD2 LYS 85 HD2 LYS 85 2.769 6.040 8.936 672 HD3 LYS 85 HD1 LYS 85 3.611 4.795 9.834 673 HE2 LYS 85 HE2 LYS 85 5.283 6.456 10.590 674 HE3 LYS 85 HE1 LYS 85 4.430 7.710 9.687 675 HZ1 LYS 85 HZ1 LYS 85 2.494 7.353 11.045 676 HZ2 LYS 85 HZ2 LYS 85 3.834 7.686 12.024 677 HZ3 LYS 85 HZ3 LYS 85 3.266 6.099 11.881 678 H THR 86 HN THR 86 4.516 10.188 6.707 679 HA THR 86 HA THR 86 6.808 10.443 4.907 680 HB THR 86 HB THR 86 5.454 12.544 4.021 681 HG1 THR 86 HG1 THR 86 3.158 11.435 3.806 682 HG21 THR 86 HG21 THR 86 4.458 11.064 2.186 683 HG22 THR 86 HG22 THR 86 5.170 9.698 3.045 684 HG23 THR 86 HG23 THR 86 6.204 10.980 2.419 Start of MODEL 10 1 H1 GLY -2 HT1 GLY -2 -14.063 -7.028 5.153 2 H2 GLY -2 HT2 GLY -2 -15.441 -6.071 4.927 3 H3 GLY -2 HT3 GLY -2 -15.594 -7.647 5.516 4 HA2 GLY -2 HA1 GLY -2 -15.865 -6.073 7.310 5 HA3 GLY -2 HA2 GLY -2 -14.425 -7.048 7.542 6 H SER -1 HN SER -1 -12.471 -6.078 7.640 7 HA SER -1 HA SER -1 -12.364 -3.192 7.713 8 HB2 SER -1 HB2 SER -1 -10.205 -5.272 8.156 9 HB3 SER -1 HB1 SER -1 -10.062 -3.554 8.521 10 HG SER -1 HG SER -1 -10.646 -4.413 10.421 11 H HIS 0 HN HIS 0 -10.272 -2.238 6.731 12 HA HIS 0 HA HIS 0 -8.998 -1.592 4.996 13 HB2 HIS 0 HB2 HIS 0 -8.112 -3.909 4.952 14 HB3 HIS 0 HB1 HIS 0 -9.409 -4.386 3.871 15 HD1 HIS 0 HD1 HIS 0 -8.668 -4.562 1.553 16 HD2 HIS 0 HD2 HIS 0 -6.637 -1.597 3.607 17 HE1 HIS 0 HE1 HIS 0 -7.046 -3.582 -0.091 18 HE2 HIS 0 HE2 HIS 0 -6.059 -1.622 1.119 19 H MET 1 HN MET 1 -10.394 -0.036 4.415 20 HA MET 1 HA MET 1 -11.440 -0.185 1.734 21 HB2 MET 1 HB2 MET 1 -13.279 -1.034 3.383 22 HB3 MET 1 HB1 MET 1 -13.354 0.624 3.955 23 HG2 MET 1 HG2 MET 1 -14.197 1.404 1.865 24 HG3 MET 1 HG1 MET 1 -13.869 -0.147 1.084 25 HE1 MET 1 HE1 MET 1 -16.401 0.060 0.150 26 HE2 MET 1 HE2 MET 1 -16.728 1.514 1.094 27 HE3 MET 1 HE3 MET 1 -17.821 0.133 1.193 28 H SER 2 HN SER 2 -12.462 2.228 1.326 29 HA SER 2 HA SER 2 -12.642 4.481 1.665 30 HB2 SER 2 HB2 SER 2 -12.721 4.454 4.015 31 HB3 SER 2 HB1 SER 2 -11.037 3.952 4.193 32 HG SER 2 HG SER 2 -10.408 5.968 3.909 33 H ASP 3 HN ASP 3 -11.832 5.833 0.198 34 HA ASP 3 HA ASP 3 -9.434 5.815 -1.076 35 HB2 ASP 3 HB2 ASP 3 -11.470 7.107 -1.661 36 HB3 ASP 3 HB1 ASP 3 -11.094 8.238 -0.371 37 H ASN 4 HN ASN 4 -10.115 7.375 2.037 38 HA ASN 4 HA ASN 4 -9.034 8.595 3.556 39 HB2 ASN 4 HB2 ASN 4 -6.257 7.764 2.886 40 HB3 ASN 4 HB1 ASN 4 -7.064 7.841 4.436 41 HD21 ASN 4 HD21 ASN 4 -5.961 5.928 1.931 42 HD22 ASN 4 HD22 ASN 4 -6.576 4.420 2.479 43 H ASN 5 HN ASN 5 -6.643 9.869 3.755 44 HA ASN 5 HA ASN 5 -6.896 12.010 1.834 45 HB2 ASN 5 HB2 ASN 5 -4.986 11.672 4.190 46 HB3 ASN 5 HB1 ASN 5 -5.139 13.135 3.233 47 HD21 ASN 5 HD21 ASN 5 -7.096 14.335 3.350 48 HD22 ASN 5 HD22 ASN 5 -8.118 14.202 4.736 49 H ALA 6 HN ALA 6 -5.770 9.417 0.698 50 HA ALA 6 HA ALA 6 -2.934 9.656 0.554 51 HB1 ALA 6 HB1 ALA 6 -4.627 7.982 -1.320 52 HB2 ALA 6 HB2 ALA 6 -3.987 7.441 0.232 53 HB3 ALA 6 HB3 ALA 6 -2.895 7.872 -1.067 54 H THR 7 HN THR 7 -2.613 11.875 -0.175 55 HA THR 7 HA THR 7 -2.760 12.010 -3.104 56 HB THR 7 HB THR 7 -3.273 14.117 -2.084 57 HG1 THR 7 HG1 THR 7 -0.598 14.386 -3.024 58 HG21 THR 7 HG21 THR 7 -0.617 13.934 -0.662 59 HG22 THR 7 HG22 THR 7 -2.216 13.996 0.088 60 HG23 THR 7 HG23 THR 7 -1.589 15.397 -0.780 61 H ASP 8 HN ASP 8 -1.100 11.476 -4.370 62 HA ASP 8 HA ASP 8 0.782 10.862 -5.317 63 HB2 ASP 8 HB2 ASP 8 2.379 12.603 -5.269 64 HB3 ASP 8 HB1 ASP 8 0.992 13.359 -4.583 65 H ILE 9 HN ILE 9 0.101 9.342 -2.594 66 HA ILE 9 HA ILE 9 2.604 7.851 -2.305 67 HB ILE 9 HB ILE 9 1.217 8.862 0.206 68 HG12 ILE 9 HG12 ILE 9 3.938 9.724 -0.715 69 HG13 ILE 9 HG11 ILE 9 2.547 10.467 -1.393 70 HG21 ILE 9 HG21 ILE 9 3.913 7.501 -0.049 71 HG22 ILE 9 HG22 ILE 9 2.420 6.605 0.205 72 HG23 ILE 9 HG23 ILE 9 2.946 7.763 1.396 73 HD11 ILE 9 HD11 ILE 9 1.864 11.294 0.783 74 HD12 ILE 9 HD12 ILE 9 3.487 11.819 0.359 75 HD13 ILE 9 HD13 ILE 9 3.266 10.527 1.527 76 H LEU 10 HN LEU 10 2.268 5.680 -2.424 77 HA LEU 10 HA LEU 10 -0.423 4.696 -1.743 78 HB2 LEU 10 HB2 LEU 10 0.891 4.706 -4.389 79 HB3 LEU 10 HB1 LEU 10 0.132 3.184 -3.950 80 HG LEU 10 HG LEU 10 -1.072 5.184 -5.354 81 HD11 LEU 10 HD11 LEU 10 -2.454 3.223 -3.626 82 HD12 LEU 10 HD12 LEU 10 -1.834 2.989 -5.270 83 HD13 LEU 10 HD13 LEU 10 -3.148 4.122 -4.970 84 HD21 LEU 10 HD21 LEU 10 -2.322 5.587 -2.610 85 HD22 LEU 10 HD22 LEU 10 -2.708 6.419 -4.093 86 HD23 LEU 10 HD23 LEU 10 -1.194 6.737 -3.307 87 H PHE 11 HN PHE 11 0.341 3.393 0.131 88 HA PHE 11 HA PHE 11 2.249 1.379 -0.145 89 HB2 PHE 11 HB2 PHE 11 1.823 2.056 2.040 90 HB3 PHE 11 HB1 PHE 11 0.096 1.988 1.854 91 HD1 PHE 11 HD1 PHE 11 -1.120 -0.082 2.293 92 HD2 PHE 11 HD2 PHE 11 3.116 0.112 2.860 93 HE1 PHE 11 HE1 PHE 11 -1.231 -2.008 3.778 94 HE2 PHE 11 HE2 PHE 11 2.967 -1.837 4.326 95 HZ PHE 11 HZ PHE 11 0.813 -2.912 4.775 96 H VAL 12 HN VAL 12 2.159 -0.771 -0.407 97 HA VAL 12 HA VAL 12 -0.175 -2.029 -1.679 98 HB VAL 12 HB VAL 12 2.635 -2.315 -2.906 99 HG11 VAL 12 HG11 VAL 12 0.214 -3.932 -3.714 100 HG12 VAL 12 HG12 VAL 12 1.637 -4.552 -2.871 101 HG13 VAL 12 HG13 VAL 12 1.781 -3.933 -4.508 102 HG21 VAL 12 HG21 VAL 12 0.964 -0.417 -3.769 103 HG22 VAL 12 HG22 VAL 12 0.260 -1.770 -4.639 104 HG23 VAL 12 HG23 VAL 12 1.941 -1.367 -4.867 105 H GLY 13 HN GLY 13 -0.102 -4.660 -1.333 106 HA2 GLY 13 HA2 GLY 13 0.826 -5.011 1.450 107 HA3 GLY 13 HA1 GLY 13 -0.384 -5.976 0.644 108 H GLY 14 HN GLY 14 1.043 -7.667 1.756 109 HA2 GLY 14 HA2 GLY 14 3.325 -8.433 0.331 110 HA3 GLY 14 HA1 GLY 14 2.365 -9.494 1.300 111 H ILE 15 HN ILE 15 3.609 -9.249 -1.643 112 HA ILE 15 HA ILE 15 1.167 -10.170 -2.969 113 HB ILE 15 HB ILE 15 3.474 -9.463 -4.737 114 HG12 ILE 15 HG12 ILE 15 1.688 -7.190 -4.104 115 HG13 ILE 15 HG11 ILE 15 2.841 -7.549 -2.841 116 HG21 ILE 15 HG21 ILE 15 1.663 -8.871 -6.227 117 HG22 ILE 15 HG22 ILE 15 0.520 -8.831 -4.886 118 HG23 ILE 15 HG23 ILE 15 1.206 -10.363 -5.414 119 HD11 ILE 15 HD11 ILE 15 4.616 -7.385 -4.640 120 HD12 ILE 15 HD12 ILE 15 3.816 -5.906 -4.138 121 HD13 ILE 15 HD13 ILE 15 3.360 -6.665 -5.651 122 H ASP 16 HN ASP 16 1.431 -11.937 -4.619 123 HA ASP 16 HA ASP 16 2.733 -14.212 -3.620 124 HB2 ASP 16 HB2 ASP 16 1.004 -14.898 -4.871 125 HB3 ASP 16 HB1 ASP 16 1.063 -13.568 -6.001 126 H GLU 17 HN GLU 17 4.355 -15.637 -4.852 127 HA GLU 17 HA GLU 17 6.694 -13.926 -4.895 128 HB2 GLU 17 HB2 GLU 17 7.959 -16.209 -4.821 129 HB3 GLU 17 HB1 GLU 17 7.000 -15.759 -3.418 130 HG2 GLU 17 HG2 GLU 17 5.159 -17.228 -4.592 131 HG3 GLU 17 HG1 GLU 17 6.547 -17.908 -5.443 132 H THR 18 HN THR 18 4.957 -14.855 -7.678 133 HA THR 18 HA THR 18 7.499 -14.787 -9.134 134 HB THR 18 HB THR 18 5.916 -16.691 -9.724 135 HG1 THR 18 HG1 THR 18 6.771 -16.732 -11.713 136 HG21 THR 18 HG21 THR 18 4.443 -14.504 -11.226 137 HG22 THR 18 HG22 THR 18 3.753 -15.664 -10.086 138 HG23 THR 18 HG23 THR 18 4.362 -16.211 -11.639 139 H ILE 19 HN ILE 19 5.970 -12.331 -7.986 140 HA ILE 19 HA ILE 19 6.008 -10.750 -10.443 141 HB ILE 19 HB ILE 19 5.300 -8.727 -8.942 142 HG12 ILE 19 HG12 ILE 19 4.003 -9.105 -6.968 143 HG13 ILE 19 HG11 ILE 19 4.053 -10.842 -7.154 144 HG21 ILE 19 HG21 ILE 19 3.113 -10.776 -9.314 145 HG22 ILE 19 HG22 ILE 19 3.848 -9.916 -10.655 146 HG23 ILE 19 HG23 ILE 19 3.016 -9.023 -9.391 147 HD11 ILE 19 HD11 ILE 19 5.460 -10.394 -5.379 148 HD12 ILE 19 HD12 ILE 19 6.172 -8.984 -6.163 149 HD13 ILE 19 HD13 ILE 19 6.567 -10.597 -6.735 150 H ASP 20 HN ASP 20 7.227 -8.546 -10.287 151 HA ASP 20 HA ASP 20 9.549 -8.527 -8.584 152 HB2 ASP 20 HB2 ASP 20 9.900 -10.091 -10.624 153 HB3 ASP 20 HB1 ASP 20 10.043 -8.634 -11.572 154 H GLU 21 HN GLU 21 11.099 -6.623 -9.562 155 HA GLU 21 HA GLU 21 9.921 -4.142 -9.254 156 HB2 GLU 21 HB2 GLU 21 12.476 -4.824 -9.436 157 HB3 GLU 21 HB1 GLU 21 12.292 -4.381 -11.111 158 HG2 GLU 21 HG2 GLU 21 11.579 -2.438 -8.979 159 HG3 GLU 21 HG1 GLU 21 13.242 -2.684 -9.449 160 H LYS 22 HN LYS 22 10.740 -5.428 -12.482 161 HA LYS 22 HA LYS 22 9.757 -3.129 -13.730 162 HB2 LYS 22 HB2 LYS 22 10.071 -5.370 -15.571 163 HB3 LYS 22 HB1 LYS 22 10.833 -3.810 -15.567 164 HG2 LYS 22 HG2 LYS 22 12.609 -5.319 -15.525 165 HG3 LYS 22 HG1 LYS 22 12.521 -4.809 -13.843 166 HD2 LYS 22 HD2 LYS 22 11.143 -6.893 -13.383 167 HD3 LYS 22 HD1 LYS 22 11.450 -7.399 -15.044 168 HE2 LYS 22 HE2 LYS 22 13.454 -7.007 -12.828 169 HE3 LYS 22 HE1 LYS 22 13.049 -8.497 -13.670 170 HZ1 LYS 22 HZ1 LYS 22 14.023 -7.608 -15.654 171 HZ2 LYS 22 HZ2 LYS 22 15.140 -7.534 -14.387 172 HZ3 LYS 22 HZ3 LYS 22 14.337 -6.135 -14.886 173 H SER 23 HN SER 23 8.244 -6.302 -13.200 174 HA SER 23 HA SER 23 5.973 -5.951 -14.777 175 HB2 SER 23 HB2 SER 23 5.696 -7.439 -12.212 176 HB3 SER 23 HB1 SER 23 5.348 -7.934 -13.855 177 HG SER 23 HG SER 23 7.093 -9.095 -13.427 178 H LEU 24 HN LEU 24 6.523 -4.980 -11.340 179 HA LEU 24 HA LEU 24 3.842 -4.024 -10.995 180 HB2 LEU 24 HB2 LEU 24 6.211 -3.362 -9.240 181 HB3 LEU 24 HB1 LEU 24 4.563 -2.965 -8.896 182 HG LEU 24 HG LEU 24 5.491 -5.810 -9.294 183 HD11 LEU 24 HD11 LEU 24 6.672 -4.738 -7.318 184 HD12 LEU 24 HD12 LEU 24 5.651 -6.116 -6.914 185 HD13 LEU 24 HD13 LEU 24 5.076 -4.489 -6.612 186 HD21 LEU 24 HD21 LEU 24 2.974 -5.307 -9.445 187 HD22 LEU 24 HD22 LEU 24 3.072 -4.908 -7.732 188 HD23 LEU 24 HD23 LEU 24 3.471 -6.520 -8.275 189 H TYR 25 HN TYR 25 6.450 -2.491 -12.610 190 HA TYR 25 HA TYR 25 5.493 0.190 -12.594 191 HB2 TYR 25 HB2 TYR 25 7.801 -0.767 -13.580 192 HB3 TYR 25 HB1 TYR 25 6.898 -0.970 -15.049 193 HD1 TYR 25 HD2 TYR 25 5.603 1.522 -15.692 194 HD2 TYR 25 HD1 TYR 25 9.288 0.909 -13.620 195 HE1 TYR 25 HE2 TYR 25 6.364 3.753 -16.352 196 HE2 TYR 25 HE1 TYR 25 10.039 3.117 -14.297 197 HH TYR 25 HH TYR 25 9.617 4.757 -15.978 198 H ASP 26 HN ASP 26 5.185 -2.301 -15.281 199 HA ASP 26 HA ASP 26 3.373 -0.846 -16.793 200 HB2 ASP 26 HB2 ASP 26 4.662 -3.458 -17.075 201 HB3 ASP 26 HB1 ASP 26 3.096 -3.331 -17.863 202 H ILE 27 HN ILE 27 2.396 -3.418 -14.439 203 HA ILE 27 HA ILE 27 -0.248 -3.409 -15.435 204 HB ILE 27 HB ILE 27 0.478 -4.346 -12.585 205 HG12 ILE 27 HG12 ILE 27 -0.040 -6.530 -14.448 206 HG13 ILE 27 HG11 ILE 27 1.298 -5.602 -15.084 207 HG21 ILE 27 HG21 ILE 27 -1.544 -5.643 -12.696 208 HG22 ILE 27 HG22 ILE 27 -1.809 -5.143 -14.361 209 HG23 ILE 27 HG23 ILE 27 -1.911 -3.969 -13.066 210 HD11 ILE 27 HD11 ILE 27 2.008 -7.534 -13.773 211 HD12 ILE 27 HD12 ILE 27 1.214 -6.903 -12.338 212 HD13 ILE 27 HD13 ILE 27 2.583 -6.041 -13.050 213 H PHE 28 HN PHE 28 1.204 -1.358 -12.734 214 HA PHE 28 HA PHE 28 -1.252 0.132 -12.611 215 HB2 PHE 28 HB2 PHE 28 1.425 0.368 -11.333 216 HB3 PHE 28 HB1 PHE 28 0.213 1.630 -11.166 217 HD1 PHE 28 HD1 PHE 28 0.574 -2.062 -10.641 218 HD2 PHE 28 HD2 PHE 28 -1.112 1.645 -9.354 219 HE1 PHE 28 HE1 PHE 28 -0.327 -3.157 -8.640 220 HE2 PHE 28 HE2 PHE 28 -1.998 0.553 -7.340 221 HZ PHE 28 HZ PHE 28 -1.602 -1.862 -6.977 222 H SER 29 HN SER 29 1.375 0.287 -14.971 223 HA SER 29 HA SER 29 1.466 3.150 -15.074 224 HB2 SER 29 HB2 SER 29 2.598 2.882 -17.263 225 HB3 SER 29 HB1 SER 29 3.450 2.132 -15.930 226 HG SER 29 HG SER 29 2.173 0.972 -18.143 227 H SER 30 HN SER 30 -1.056 1.145 -15.953 228 HA SER 30 HA SER 30 -1.598 2.027 -18.616 229 HB2 SER 30 HB2 SER 30 -3.788 0.699 -18.217 230 HB3 SER 30 HB1 SER 30 -2.273 -0.203 -18.120 231 HG SER 30 HG SER 30 -2.557 -0.515 -16.046 232 H PHE 31 HN PHE 31 -3.178 2.795 -15.412 233 HA PHE 31 HA PHE 31 -4.249 5.191 -16.591 234 HB2 PHE 31 HB2 PHE 31 -4.382 3.876 -13.934 235 HB3 PHE 31 HB1 PHE 31 -4.586 5.617 -13.957 236 HD1 PHE 31 HD1 PHE 31 -5.958 2.429 -15.262 237 HD2 PHE 31 HD2 PHE 31 -6.616 6.592 -14.642 238 HE1 PHE 31 HE1 PHE 31 -8.340 2.134 -15.818 239 HE2 PHE 31 HE2 PHE 31 -8.996 6.301 -15.203 240 HZ PHE 31 HZ PHE 31 -9.860 4.071 -15.789 241 H GLY 32 HN GLY 32 -1.320 4.401 -14.756 242 HA2 GLY 32 HA2 GLY 32 -0.654 7.270 -14.653 243 HA3 GLY 32 HA1 GLY 32 -0.696 6.303 -13.195 244 H ASP 33 HN ASP 33 1.320 7.431 -15.599 245 HA ASP 33 HA ASP 33 3.488 5.603 -15.311 246 HB2 ASP 33 HB2 ASP 33 3.773 8.535 -16.065 247 HB3 ASP 33 HB1 ASP 33 5.012 7.315 -16.187 248 H ILE 34 HN ILE 34 5.772 6.432 -14.144 249 HA ILE 34 HA ILE 34 4.777 6.573 -11.349 250 HB ILE 34 HB ILE 34 6.561 4.461 -12.649 251 HG12 ILE 34 HG12 ILE 34 4.289 3.672 -12.793 252 HG13 ILE 34 HG11 ILE 34 5.010 2.789 -11.497 253 HG21 ILE 34 HG21 ILE 34 7.078 3.381 -10.553 254 HG22 ILE 34 HG22 ILE 34 6.430 4.759 -9.680 255 HG23 ILE 34 HG23 ILE 34 7.808 4.958 -10.749 256 HD11 ILE 34 HD11 ILE 34 2.672 4.233 -11.477 257 HD12 ILE 34 HD12 ILE 34 3.746 5.103 -10.408 258 HD13 ILE 34 HD13 ILE 34 3.438 3.398 -10.136 259 H ARG 35 HN ARG 35 6.308 7.350 -9.579 260 HA ARG 35 HA ARG 35 8.493 9.084 -10.475 261 HB2 ARG 35 HB2 ARG 35 6.741 9.143 -8.148 262 HB3 ARG 35 HB1 ARG 35 8.422 9.125 -7.593 263 HG2 ARG 35 HG2 ARG 35 7.081 11.247 -9.248 264 HG3 ARG 35 HG1 ARG 35 7.720 11.351 -7.635 265 HD2 ARG 35 HD2 ARG 35 10.008 11.091 -8.515 266 HD3 ARG 35 HD1 ARG 35 9.360 11.020 -10.158 267 HE ARG 35 HE ARG 35 8.523 13.337 -8.701 268 HH11 ARG 35 HH12 ARG 35 11.068 12.000 -10.711 269 HH12 ARG 35 HH11 ARG 35 11.632 13.550 -11.238 270 HH21 ARG 35 HH22 ARG 35 9.237 15.361 -9.420 271 HH22 ARG 35 HH21 ARG 35 10.588 15.460 -10.504 272 H ASN 36 HN ASN 36 8.443 6.054 -8.359 273 HA ASN 36 HA ASN 36 11.214 5.592 -8.410 274 HB2 ASN 36 HB2 ASN 36 11.270 7.840 -7.178 275 HB3 ASN 36 HB1 ASN 36 10.370 7.057 -5.871 276 HD21 ASN 36 HD21 ASN 36 11.934 7.116 -4.215 277 HD22 ASN 36 HD22 ASN 36 13.435 6.268 -4.355 278 H ILE 37 HN ILE 37 11.628 3.604 -6.508 279 HA ILE 37 HA ILE 37 9.075 2.519 -5.680 280 HB ILE 37 HB ILE 37 10.295 1.643 -8.275 281 HG12 ILE 37 HG12 ILE 37 7.510 1.073 -7.347 282 HG13 ILE 37 HG11 ILE 37 8.009 2.679 -7.862 283 HG21 ILE 37 HG21 ILE 37 9.607 -0.672 -8.249 284 HG22 ILE 37 HG22 ILE 37 9.194 -0.589 -6.544 285 HG23 ILE 37 HG23 ILE 37 10.872 -0.389 -7.055 286 HD11 ILE 37 HD11 ILE 37 6.934 1.293 -9.598 287 HD12 ILE 37 HD12 ILE 37 8.335 0.217 -9.506 288 HD13 ILE 37 HD13 ILE 37 8.533 1.895 -10.006 289 H GLU 38 HN GLU 38 9.386 1.295 -3.838 290 HA GLU 38 HA GLU 38 11.998 -0.048 -3.573 291 HB2 GLU 38 HB2 GLU 38 12.091 2.008 -2.121 292 HB3 GLU 38 HB1 GLU 38 10.651 1.549 -1.293 293 HG2 GLU 38 HG2 GLU 38 12.451 -0.541 -0.817 294 HG3 GLU 38 HG1 GLU 38 13.400 0.937 -0.714 295 H VAL 39 HN VAL 39 11.308 -2.072 -4.099 296 HA VAL 39 HA VAL 39 9.857 -3.357 -1.882 297 HB VAL 39 HB VAL 39 8.171 -3.607 -3.561 298 HG11 VAL 39 HG11 VAL 39 9.257 -3.076 -5.610 299 HG12 VAL 39 HG12 VAL 39 8.553 -4.679 -5.764 300 HG13 VAL 39 HG13 VAL 39 10.283 -4.501 -5.489 301 HG21 VAL 39 HG21 VAL 39 9.723 -6.215 -3.611 302 HG22 VAL 39 HG22 VAL 39 8.023 -6.026 -4.022 303 HG23 VAL 39 HG23 VAL 39 8.564 -5.747 -2.374 304 HA PRO 40 HA PRO 40 13.931 -5.509 -1.828 305 HB2 PRO 40 HB2 PRO 40 13.297 -6.710 0.594 306 HB3 PRO 40 HB1 PRO 40 14.123 -5.153 0.463 307 HG2 PRO 40 HG2 PRO 40 11.248 -5.690 0.900 308 HG3 PRO 40 HG1 PRO 40 12.323 -4.529 1.699 309 HD2 PRO 40 HD2 PRO 40 10.701 -3.674 -0.176 310 HD3 PRO 40 HD1 PRO 40 12.338 -3.117 -0.122 311 H LEU 41 HN LEU 41 14.320 -7.734 -2.261 312 HA LEU 41 HA LEU 41 12.016 -9.556 -2.279 313 HB2 LEU 41 HB2 LEU 41 13.012 -8.342 -4.749 314 HB3 LEU 41 HB1 LEU 41 13.313 -10.047 -4.813 315 HG LEU 41 HG LEU 41 11.161 -10.423 -5.466 316 HD11 LEU 41 HD11 LEU 41 10.003 -8.561 -3.375 317 HD12 LEU 41 HD12 LEU 41 10.172 -10.302 -3.212 318 HD13 LEU 41 HD13 LEU 41 9.106 -9.642 -4.429 319 HD21 LEU 41 HD21 LEU 41 10.934 -7.426 -5.468 320 HD22 LEU 41 HD22 LEU 41 9.792 -8.528 -6.223 321 HD23 LEU 41 HD23 LEU 41 11.455 -8.458 -6.810 322 H ASN 42 HN ASN 42 12.852 -11.864 -1.926 323 HA ASN 42 HA ASN 42 15.651 -11.604 -1.028 324 HB2 ASN 42 HB2 ASN 42 14.118 -12.104 0.817 325 HB3 ASN 42 HB1 ASN 42 13.422 -13.486 -0.014 326 HD21 ASN 42 HD21 ASN 42 14.602 -13.250 2.598 327 HD22 ASN 42 HD22 ASN 42 15.891 -14.390 2.687 328 H MET 43 HN MET 43 17.289 -12.779 -2.146 329 HA MET 43 HA MET 43 16.462 -13.980 -4.593 330 HB2 MET 43 HB2 MET 43 19.001 -13.084 -3.481 331 HB3 MET 43 HB1 MET 43 19.221 -14.671 -4.205 332 HG2 MET 43 HG2 MET 43 17.728 -13.022 -6.050 333 HG3 MET 43 HG1 MET 43 19.176 -12.146 -5.506 334 HE1 MET 43 HE1 MET 43 21.398 -14.149 -5.018 335 HE2 MET 43 HE2 MET 43 21.573 -12.745 -6.072 336 HE3 MET 43 HE3 MET 43 22.106 -14.331 -6.626 337 H THR 44 HN THR 44 16.274 -15.633 -1.674 338 HA THR 44 HA THR 44 17.035 -18.169 -2.887 339 HB THR 44 HB THR 44 16.152 -17.708 0.024 340 HG1 THR 44 HG1 THR 44 18.277 -16.895 -0.889 341 HG21 THR 44 HG21 THR 44 15.760 -20.097 -0.767 342 HG22 THR 44 HG22 THR 44 16.894 -19.905 0.563 343 HG23 THR 44 HG23 THR 44 17.502 -20.202 -1.059 344 H THR 45 HN THR 45 13.906 -16.859 -1.455 345 HA THR 45 HA THR 45 12.643 -18.602 -3.423 346 HB THR 45 HB THR 45 11.921 -19.899 -1.764 347 HG1 THR 45 HG1 THR 45 9.984 -18.499 -2.460 348 HG21 THR 45 HG21 THR 45 12.100 -17.663 0.249 349 HG22 THR 45 HG22 THR 45 13.039 -19.157 0.139 350 HG23 THR 45 HG23 THR 45 11.348 -19.211 0.585 351 H LYS 46 HN LYS 46 13.205 -15.522 -3.290 352 HA LYS 46 HA LYS 46 12.346 -13.519 -3.903 353 HB2 LYS 46 HB2 LYS 46 11.826 -15.070 -5.902 354 HB3 LYS 46 HB1 LYS 46 10.168 -15.107 -5.304 355 HG2 LYS 46 HG2 LYS 46 9.727 -13.200 -6.316 356 HG3 LYS 46 HG1 LYS 46 11.049 -12.390 -5.528 357 HD2 LYS 46 HD2 LYS 46 11.495 -12.082 -7.805 358 HD3 LYS 46 HD1 LYS 46 12.526 -13.437 -7.388 359 HE2 LYS 46 HE2 LYS 46 10.911 -14.984 -8.375 360 HE3 LYS 46 HE1 LYS 46 9.843 -13.629 -8.748 361 HZ1 LYS 46 HZ1 LYS 46 11.133 -14.277 -10.665 362 HZ2 LYS 46 HZ2 LYS 46 12.580 -14.048 -9.824 363 HZ3 LYS 46 HZ3 LYS 46 11.586 -12.722 -10.167 364 H LYS 47 HN LYS 47 11.819 -13.185 -1.578 365 HA LYS 47 HA LYS 47 8.924 -13.338 -1.037 366 HB2 LYS 47 HB2 LYS 47 11.181 -14.196 0.829 367 HB3 LYS 47 HB1 LYS 47 9.594 -13.830 1.446 368 HG2 LYS 47 HG2 LYS 47 10.588 -16.311 0.060 369 HG3 LYS 47 HG1 LYS 47 9.415 -16.116 1.361 370 HD2 LYS 47 HD2 LYS 47 8.822 -15.429 -1.530 371 HD3 LYS 47 HD1 LYS 47 8.436 -16.973 -0.780 372 HE2 LYS 47 HE2 LYS 47 6.897 -15.972 0.721 373 HE3 LYS 47 HE1 LYS 47 7.427 -14.343 0.268 374 HZ1 LYS 47 HZ1 LYS 47 5.339 -14.964 -0.805 375 HZ2 LYS 47 HZ2 LYS 47 6.091 -16.295 -1.546 376 HZ3 LYS 47 HZ3 LYS 47 6.563 -14.713 -1.944 377 H ASN 48 HN ASN 48 8.010 -11.467 -0.271 378 HA ASN 48 HA ASN 48 9.786 -9.123 -0.287 379 HB2 ASN 48 HB2 ASN 48 7.640 -7.786 -0.444 380 HB3 ASN 48 HB1 ASN 48 7.970 -8.809 -1.841 381 HD21 ASN 48 HD21 ASN 48 6.752 -10.662 -2.167 382 HD22 ASN 48 HD22 ASN 48 5.312 -11.001 -1.274 383 H ARG 49 HN ARG 49 8.505 -11.064 2.149 384 HA ARG 49 HA ARG 49 7.469 -10.823 4.162 385 HB2 ARG 49 HB2 ARG 49 8.810 -8.882 5.615 386 HB3 ARG 49 HB1 ARG 49 9.299 -10.556 5.512 387 HG2 ARG 49 HG2 ARG 49 10.711 -9.714 3.444 388 HG3 ARG 49 HG1 ARG 49 10.518 -8.137 4.235 389 HD2 ARG 49 HD2 ARG 49 11.809 -8.780 6.063 390 HD3 ARG 49 HD1 ARG 49 11.538 -10.488 5.843 391 HE ARG 49 HE ARG 49 13.298 -8.856 4.161 392 HH11 ARG 49 HH11 ARG 49 12.407 -11.962 5.572 393 HH12 ARG 49 HH12 ARG 49 13.798 -12.787 4.955 394 HH21 ARG 49 HH21 ARG 49 15.104 -9.962 3.322 395 HH22 ARG 49 HH22 ARG 49 15.333 -11.650 3.679 396 H GLY 50 HN GLY 50 5.572 -9.812 2.910 397 HA2 GLY 50 HA2 GLY 50 3.623 -8.767 3.386 398 HA3 GLY 50 HA1 GLY 50 4.336 -8.302 4.904 399 H PHE 51 HN PHE 51 5.976 -6.828 2.123 400 HA PHE 51 HA PHE 51 4.326 -4.510 2.362 401 HB2 PHE 51 HB2 PHE 51 5.333 -3.192 3.958 402 HB3 PHE 51 HB1 PHE 51 5.624 -4.780 4.604 403 HD1 PHE 51 HD2 PHE 51 7.925 -5.692 4.715 404 HD2 PHE 51 HD1 PHE 51 7.157 -1.675 3.433 405 HE1 PHE 51 HE2 PHE 51 10.263 -5.131 5.058 406 HE2 PHE 51 HE1 PHE 51 9.495 -1.118 3.837 407 HZ PHE 51 HZ PHE 51 11.058 -2.842 4.612 408 H ALA 52 HN ALA 52 4.505 -3.391 0.313 409 HA ALA 52 HA ALA 52 7.256 -2.668 -0.608 410 HB1 ALA 52 HB1 ALA 52 6.297 -2.715 -2.954 411 HB2 ALA 52 HB2 ALA 52 4.826 -3.417 -2.322 412 HB3 ALA 52 HB3 ALA 52 6.328 -4.303 -2.223 413 H PHE 53 HN PHE 53 7.493 -0.468 -1.244 414 HA PHE 53 HA PHE 53 5.160 1.243 -0.960 415 HB2 PHE 53 HB2 PHE 53 8.052 2.065 -1.006 416 HB3 PHE 53 HB1 PHE 53 6.682 3.126 -0.682 417 HD1 PHE 53 HD1 PHE 53 5.098 1.678 1.382 418 HD2 PHE 53 HD2 PHE 53 9.304 1.900 0.802 419 HE1 PHE 53 HE1 PHE 53 5.475 1.148 3.759 420 HE2 PHE 53 HE2 PHE 53 9.695 1.375 3.111 421 HZ PHE 53 HZ PHE 53 7.775 0.995 4.634 422 H VAL 54 HN VAL 54 4.406 2.791 -2.631 423 HA VAL 54 HA VAL 54 5.824 2.719 -5.183 424 HB VAL 54 HB VAL 54 2.885 1.843 -5.053 425 HG11 VAL 54 HG11 VAL 54 2.468 2.071 -7.364 426 HG12 VAL 54 HG12 VAL 54 4.054 2.746 -7.674 427 HG13 VAL 54 HG13 VAL 54 2.870 3.666 -6.743 428 HG21 VAL 54 HG21 VAL 54 5.134 0.743 -6.638 429 HG22 VAL 54 HG22 VAL 54 3.479 0.200 -6.648 430 HG23 VAL 54 HG23 VAL 54 4.432 0.049 -5.193 431 H GLU 55 HN GLU 55 6.311 5.027 -5.444 432 HA GLU 55 HA GLU 55 4.226 6.921 -4.850 433 HB2 GLU 55 HB2 GLU 55 7.047 6.948 -5.113 434 HB3 GLU 55 HB1 GLU 55 6.406 8.167 -6.202 435 HG2 GLU 55 HG2 GLU 55 7.109 8.992 -4.006 436 HG3 GLU 55 HG1 GLU 55 5.462 9.343 -4.391 437 H TYR 56 HN TYR 56 3.016 8.243 -6.321 438 HA TYR 56 HA TYR 56 2.962 7.286 -9.130 439 HB2 TYR 56 HB2 TYR 56 0.851 8.082 -7.309 440 HB3 TYR 56 HB1 TYR 56 0.863 9.182 -8.674 441 HD1 TYR 56 HD2 TYR 56 1.102 5.378 -8.299 442 HD2 TYR 56 HD1 TYR 56 -0.609 8.755 -10.277 443 HE1 TYR 56 HE2 TYR 56 -0.342 3.902 -9.544 444 HE2 TYR 56 HE1 TYR 56 -2.039 7.277 -11.534 445 HH TYR 56 HH TYR 56 -2.042 4.865 -12.272 446 H VAL 57 HN VAL 57 2.780 8.946 -11.035 447 HA VAL 57 HA VAL 57 4.086 11.444 -10.494 448 HB VAL 57 HB VAL 57 3.141 10.236 -13.098 449 HG11 VAL 57 HG11 VAL 57 2.180 12.299 -13.626 450 HG12 VAL 57 HG12 VAL 57 3.805 12.416 -14.276 451 HG13 VAL 57 HG13 VAL 57 3.413 13.204 -12.759 452 HG21 VAL 57 HG21 VAL 57 5.283 10.973 -13.941 453 HG22 VAL 57 HG22 VAL 57 5.498 10.059 -12.472 454 HG23 VAL 57 HG23 VAL 57 5.622 11.810 -12.443 455 H GLU 58 HN GLU 58 0.436 11.034 -11.311 456 HA GLU 58 HA GLU 58 0.334 13.907 -10.728 457 HB2 GLU 58 HB2 GLU 58 -1.583 12.265 -12.405 458 HB3 GLU 58 HB1 GLU 58 -1.972 13.836 -11.809 459 HG2 GLU 58 HG2 GLU 58 -0.120 13.137 -14.028 460 HG3 GLU 58 HG1 GLU 58 -1.485 14.235 -13.961 461 H VAL 59 HN VAL 59 -1.533 14.695 -9.461 462 HA VAL 59 HA VAL 59 -1.757 12.922 -7.205 463 HB VAL 59 HB VAL 59 -1.713 14.638 -5.868 464 HG11 VAL 59 HG11 VAL 59 -1.147 16.486 -8.134 465 HG12 VAL 59 HG12 VAL 59 0.005 15.331 -7.470 466 HG13 VAL 59 HG13 VAL 59 -0.620 16.626 -6.465 467 HG21 VAL 59 HG21 VAL 59 -2.865 16.732 -5.807 468 HG22 VAL 59 HG22 VAL 59 -3.984 15.405 -5.989 469 HG23 VAL 59 HG23 VAL 59 -3.594 16.422 -7.373 470 H ASP 60 HN ASP 60 -4.413 14.444 -9.218 471 HA ASP 60 HA ASP 60 -6.551 13.226 -7.918 472 HB2 ASP 60 HB2 ASP 60 -6.489 13.681 -10.911 473 HB3 ASP 60 HB1 ASP 60 -7.883 13.561 -9.851 474 H ASP 61 HN ASP 61 -4.880 11.862 -10.827 475 HA ASP 61 HA ASP 61 -6.173 9.474 -11.059 476 HB2 ASP 61 HB2 ASP 61 -3.203 9.733 -11.718 477 HB3 ASP 61 HB1 ASP 61 -4.397 8.627 -12.434 478 H ALA 62 HN ALA 62 -3.337 9.911 -8.892 479 HA ALA 62 HA ALA 62 -3.002 7.520 -7.690 480 HB1 ALA 62 HB1 ALA 62 -1.814 9.442 -6.851 481 HB2 ALA 62 HB2 ALA 62 -2.655 8.685 -5.521 482 HB3 ALA 62 HB3 ALA 62 -3.295 10.136 -6.233 483 H LYS 63 HN LYS 63 -5.379 9.747 -6.347 484 HA LYS 63 HA LYS 63 -6.885 8.200 -4.633 485 HB2 LYS 63 HB2 LYS 63 -7.896 10.428 -6.426 486 HB3 LYS 63 HB1 LYS 63 -8.976 9.504 -5.433 487 HG2 LYS 63 HG2 LYS 63 -8.506 11.586 -4.389 488 HG3 LYS 63 HG1 LYS 63 -7.874 10.282 -3.397 489 HD2 LYS 63 HD2 LYS 63 -5.611 10.879 -3.967 490 HD3 LYS 63 HD1 LYS 63 -6.160 12.001 -5.210 491 HE2 LYS 63 HE2 LYS 63 -7.074 12.338 -2.397 492 HE3 LYS 63 HE1 LYS 63 -5.454 12.869 -2.840 493 HZ1 LYS 63 HZ1 LYS 63 -6.473 14.287 -4.558 494 HZ2 LYS 63 HZ2 LYS 63 -7.041 14.670 -3.013 495 HZ3 LYS 63 HZ3 LYS 63 -8.014 13.778 -4.068 496 H HIS 64 HN HIS 64 -7.896 8.432 -8.095 497 HA HIS 64 HA HIS 64 -9.913 6.524 -7.723 498 HB2 HIS 64 HB2 HIS 64 -9.257 8.214 -9.842 499 HB3 HIS 64 HB1 HIS 64 -9.224 6.597 -10.516 500 HD1 HIS 64 HD1 HIS 64 -11.465 5.121 -9.522 501 HD2 HIS 64 HD2 HIS 64 -11.769 9.232 -10.085 502 HE1 HIS 64 HE1 HIS 64 -13.929 5.612 -9.611 503 HE2 HIS 64 HE2 HIS 64 -14.089 8.106 -9.912 504 H ALA 65 HN ALA 65 -6.491 5.893 -8.784 505 HA ALA 65 HA ALA 65 -6.982 3.171 -9.319 506 HB1 ALA 65 HB1 ALA 65 -4.921 3.923 -10.150 507 HB2 ALA 65 HB2 ALA 65 -4.538 2.737 -8.912 508 HB3 ALA 65 HB3 ALA 65 -4.345 4.453 -8.582 509 H LEU 66 HN LEU 66 -5.846 4.498 -6.077 510 HA LEU 66 HA LEU 66 -5.801 1.975 -4.955 511 HB2 LEU 66 HB2 LEU 66 -4.746 2.860 -3.241 512 HB3 LEU 66 HB1 LEU 66 -5.012 4.443 -3.851 513 HG LEU 66 HG LEU 66 -7.135 4.501 -2.274 514 HD11 LEU 66 HD11 LEU 66 -5.666 2.334 -0.811 515 HD12 LEU 66 HD12 LEU 66 -7.081 2.006 -1.787 516 HD13 LEU 66 HD13 LEU 66 -7.212 3.088 -0.410 517 HD21 LEU 66 HD21 LEU 66 -5.434 5.878 -1.494 518 HD22 LEU 66 HD22 LEU 66 -4.287 4.562 -1.367 519 HD23 LEU 66 HD23 LEU 66 -5.583 4.701 -0.188 520 H TYR 67 HN TYR 67 -8.729 4.104 -4.953 521 HA TYR 67 HA TYR 67 -10.317 2.312 -3.537 522 HB2 TYR 67 HB2 TYR 67 -10.807 4.697 -4.576 523 HB3 TYR 67 HB1 TYR 67 -11.456 3.736 -5.901 524 HD1 TYR 67 HD1 TYR 67 -11.873 4.732 -2.395 525 HD2 TYR 67 HD2 TYR 67 -13.472 2.384 -5.581 526 HE1 TYR 67 HE1 TYR 67 -13.951 4.440 -1.133 527 HE2 TYR 67 HE2 TYR 67 -15.565 2.109 -4.322 528 HH TYR 67 HH TYR 67 -16.400 3.968 -1.695 529 H ASN 68 HN ASN 68 -9.609 2.188 -7.045 530 HA ASN 68 HA ASN 68 -11.026 -0.275 -7.407 531 HB2 ASN 68 HB2 ASN 68 -10.362 1.317 -9.320 532 HB3 ASN 68 HB1 ASN 68 -8.753 0.575 -9.271 533 HD21 ASN 68 HD21 ASN 68 -8.475 -1.466 -10.067 534 HD22 ASN 68 HD22 ASN 68 -9.687 -2.293 -10.968 535 H MET 69 HN MET 69 -8.128 0.022 -5.606 536 HA MET 69 HA MET 69 -6.982 -2.406 -6.795 537 HB2 MET 69 HB2 MET 69 -5.668 0.010 -5.605 538 HB3 MET 69 HB1 MET 69 -4.834 -1.534 -5.491 539 HG2 MET 69 HG2 MET 69 -5.613 -0.018 -7.997 540 HG3 MET 69 HG1 MET 69 -4.013 -0.443 -7.410 541 HE1 MET 69 HE1 MET 69 -5.206 -0.985 -10.456 542 HE2 MET 69 HE2 MET 69 -4.396 -2.527 -10.734 543 HE3 MET 69 HE3 MET 69 -3.535 -1.206 -9.941 544 H ASN 70 HN ASN 70 -8.891 -1.659 -4.294 545 HA ASN 70 HA ASN 70 -7.467 -2.941 -2.132 546 HB2 ASN 70 HB2 ASN 70 -9.266 -2.420 -0.642 547 HB3 ASN 70 HB1 ASN 70 -9.124 -1.001 -1.659 548 HD21 ASN 70 HD21 ASN 70 -10.832 -0.590 -3.154 549 HD22 ASN 70 HD22 ASN 70 -12.383 -1.322 -2.930 550 H ASN 71 HN ASN 71 -10.175 -3.894 -4.276 551 HA ASN 71 HA ASN 71 -10.134 -6.528 -3.038 552 HB2 ASN 71 HB2 ASN 71 -12.209 -6.975 -4.242 553 HB3 ASN 71 HB1 ASN 71 -12.323 -5.457 -3.357 554 HD21 ASN 71 HD21 ASN 71 -12.608 -3.532 -4.501 555 HD22 ASN 71 HD22 ASN 71 -12.923 -3.503 -6.201 556 H PHE 72 HN PHE 72 -8.524 -5.111 -5.524 557 HA PHE 72 HA PHE 72 -8.750 -7.013 -7.620 558 HB2 PHE 72 HB2 PHE 72 -7.988 -4.979 -8.452 559 HB3 PHE 72 HB1 PHE 72 -6.942 -4.670 -7.074 560 HD1 PHE 72 HD2 PHE 72 -4.664 -5.537 -7.069 561 HD2 PHE 72 HD1 PHE 72 -7.235 -6.180 -10.390 562 HE1 PHE 72 HE2 PHE 72 -2.714 -6.087 -8.453 563 HE2 PHE 72 HE1 PHE 72 -5.281 -6.727 -11.802 564 HZ PHE 72 HZ PHE 72 -3.023 -6.695 -10.818 565 H GLU 73 HN GLU 73 -7.657 -9.048 -7.937 566 HA GLU 73 HA GLU 73 -5.829 -9.766 -5.789 567 HB2 GLU 73 HB2 GLU 73 -6.492 -12.027 -6.000 568 HB3 GLU 73 HB1 GLU 73 -7.968 -11.122 -6.073 569 HG2 GLU 73 HG2 GLU 73 -6.549 -12.278 -8.478 570 HG3 GLU 73 HG1 GLU 73 -7.846 -13.031 -7.630 571 H LEU 74 HN LEU 74 -3.784 -10.939 -6.288 572 HA LEU 74 HA LEU 74 -3.000 -10.894 -9.144 573 HB2 LEU 74 HB2 LEU 74 -1.686 -9.472 -6.928 574 HB3 LEU 74 HB1 LEU 74 -0.544 -10.450 -7.803 575 HG LEU 74 HG LEU 74 -2.235 -8.155 -8.863 576 HD11 LEU 74 HD11 LEU 74 -0.391 -7.404 -7.556 577 HD12 LEU 74 HD12 LEU 74 -0.023 -7.121 -9.258 578 HD13 LEU 74 HD13 LEU 74 0.718 -8.477 -8.408 579 HD21 LEU 74 HD21 LEU 74 -0.832 -8.326 -10.939 580 HD22 LEU 74 HD22 LEU 74 -2.075 -9.552 -10.775 581 HD23 LEU 74 HD23 LEU 74 -0.395 -9.942 -10.434 582 H ASN 75 HN ASN 75 -3.050 -13.266 -9.563 583 HA ASN 75 HA ASN 75 -2.382 -15.471 -9.452 584 HB2 ASN 75 HB2 ASN 75 0.131 -14.497 -8.018 585 HB3 ASN 75 HB1 ASN 75 -0.084 -15.985 -8.908 586 HD21 ASN 75 HD21 ASN 75 2.030 -14.107 -9.253 587 HD22 ASN 75 HD22 ASN 75 1.924 -13.547 -10.883 588 H GLY 76 HN GLY 76 -4.284 -15.396 -7.593 589 HA2 GLY 76 HA2 GLY 76 -5.070 -16.445 -5.726 590 HA3 GLY 76 HA1 GLY 76 -3.569 -17.330 -5.717 591 H LYS 77 HN LYS 77 -3.531 -13.859 -5.226 592 HA LYS 77 HA LYS 77 -3.206 -14.233 -2.400 593 HB2 LYS 77 HB2 LYS 77 -0.906 -14.412 -3.105 594 HB3 LYS 77 HB1 LYS 77 -0.984 -12.985 -4.104 595 HG2 LYS 77 HG2 LYS 77 -0.481 -11.619 -2.451 596 HG3 LYS 77 HG1 LYS 77 -1.531 -12.395 -1.276 597 HD2 LYS 77 HD2 LYS 77 1.162 -13.466 -2.177 598 HD3 LYS 77 HD1 LYS 77 0.943 -12.483 -0.737 599 HE2 LYS 77 HE2 LYS 77 -0.299 -14.249 0.359 600 HE3 LYS 77 HE1 LYS 77 -0.346 -15.209 -1.135 601 HZ1 LYS 77 HZ1 LYS 77 2.125 -14.425 0.324 602 HZ2 LYS 77 HZ2 LYS 77 2.053 -15.399 -1.065 603 HZ3 LYS 77 HZ3 LYS 77 1.383 -15.939 0.386 604 H ARG 78 HN ARG 78 -3.434 -12.231 -1.140 605 HA ARG 78 HA ARG 78 -5.165 -10.291 -2.549 606 HB2 ARG 78 HB2 ARG 78 -5.888 -11.794 -0.384 607 HB3 ARG 78 HB1 ARG 78 -5.207 -10.423 0.470 608 HG2 ARG 78 HG2 ARG 78 -7.599 -10.491 -1.393 609 HG3 ARG 78 HG1 ARG 78 -7.585 -10.232 0.337 610 HD2 ARG 78 HD2 ARG 78 -6.414 -8.032 -0.069 611 HD3 ARG 78 HD1 ARG 78 -6.646 -8.314 -1.797 612 HE ARG 78 HE ARG 78 -8.868 -7.838 -1.564 613 HH11 ARG 78 HH12 ARG 78 -7.462 -8.165 1.647 614 HH12 ARG 78 HH11 ARG 78 -8.872 -7.549 2.462 615 HH21 ARG 78 HH21 ARG 78 -10.720 -7.072 -0.491 616 HH22 ARG 78 HH22 ARG 78 -10.727 -6.931 1.234 617 H ILE 79 HN ILE 79 -4.263 -8.101 -2.734 618 HA ILE 79 HA ILE 79 -1.922 -7.530 -1.028 619 HB ILE 79 HB ILE 79 -1.927 -5.281 -2.325 620 HG12 ILE 79 HG12 ILE 79 -3.379 -6.882 -4.453 621 HG13 ILE 79 HG11 ILE 79 -4.134 -5.598 -3.505 622 HG21 ILE 79 HG21 ILE 79 -0.794 -6.411 -4.376 623 HG22 ILE 79 HG22 ILE 79 -0.942 -7.869 -3.410 624 HG23 ILE 79 HG23 ILE 79 -0.060 -6.481 -2.793 625 HD11 ILE 79 HD11 ILE 79 -3.413 -4.795 -5.676 626 HD12 ILE 79 HD12 ILE 79 -1.761 -5.288 -5.325 627 HD13 ILE 79 HD13 ILE 79 -2.520 -4.002 -4.384 628 H HIS 80 HN HIS 80 -2.056 -6.359 0.808 629 HA HIS 80 HA HIS 80 -4.523 -4.804 1.307 630 HB2 HIS 80 HB2 HIS 80 -2.007 -5.119 3.013 631 HB3 HIS 80 HB1 HIS 80 -3.360 -4.117 3.474 632 HD1 HIS 80 HD1 HIS 80 -2.323 -6.490 5.165 633 HD2 HIS 80 HD2 HIS 80 -5.610 -6.708 2.615 634 HE1 HIS 80 HE1 HIS 80 -3.761 -8.346 6.047 635 HE2 HIS 80 HE2 HIS 80 -5.820 -8.295 4.620 636 H VAL 81 HN VAL 81 -4.716 -2.775 0.350 637 HA VAL 81 HA VAL 81 -2.355 -1.199 -0.295 638 HB VAL 81 HB VAL 81 -5.175 -1.327 -1.502 639 HG11 VAL 81 HG11 VAL 81 -4.568 0.081 -3.334 640 HG12 VAL 81 HG12 VAL 81 -3.017 0.459 -2.628 641 HG13 VAL 81 HG13 VAL 81 -4.509 0.969 -1.827 642 HG21 VAL 81 HG21 VAL 81 -3.690 -3.201 -2.172 643 HG22 VAL 81 HG22 VAL 81 -2.615 -2.025 -2.932 644 HG23 VAL 81 HG23 VAL 81 -4.255 -2.200 -3.488 645 H ASN 82 HN ASN 82 -1.987 0.809 0.966 646 HA ASN 82 HA ASN 82 -4.372 2.298 1.918 647 HB2 ASN 82 HB2 ASN 82 -3.896 0.497 3.721 648 HB3 ASN 82 HB1 ASN 82 -2.445 1.406 4.129 649 HD21 ASN 82 HD21 ASN 82 -2.650 3.266 5.332 650 HD22 ASN 82 HD22 ASN 82 -4.170 3.830 5.938 651 H TYR 83 HN TYR 83 -3.361 4.312 3.490 652 HA TYR 83 HA TYR 83 -1.578 5.602 1.560 653 HB2 TYR 83 HB2 TYR 83 -3.358 7.129 2.040 654 HB3 TYR 83 HB1 TYR 83 -3.351 6.738 3.767 655 HD1 TYR 83 HD2 TYR 83 -1.327 8.496 1.115 656 HD2 TYR 83 HD1 TYR 83 -2.351 8.237 5.241 657 HE1 TYR 83 HE2 TYR 83 -0.071 10.533 1.548 658 HE2 TYR 83 HE1 TYR 83 -1.094 10.302 5.670 659 HH TYR 83 HH TYR 83 0.821 11.535 4.592 660 H SER 84 HN SER 84 0.496 7.027 2.472 661 HA SER 84 HA SER 84 1.610 5.619 4.798 662 HB2 SER 84 HB2 SER 84 3.304 5.848 2.277 663 HB3 SER 84 HB1 SER 84 3.703 5.057 3.789 664 HG SER 84 HG SER 84 3.001 3.645 2.090 665 H LYS 85 HN LYS 85 4.032 6.503 5.094 666 HA LYS 85 HA LYS 85 3.732 9.418 5.347 667 HB2 LYS 85 HB2 LYS 85 4.728 7.282 7.139 668 HB3 LYS 85 HB1 LYS 85 5.889 8.581 7.012 669 HG2 LYS 85 HG2 LYS 85 3.106 9.482 7.688 670 HG3 LYS 85 HG1 LYS 85 3.918 8.507 8.909 671 HD2 LYS 85 HD2 LYS 85 4.323 10.890 9.289 672 HD3 LYS 85 HD1 LYS 85 5.826 10.024 8.968 673 HE2 LYS 85 HE2 LYS 85 5.309 10.831 6.465 674 HE3 LYS 85 HE1 LYS 85 4.416 12.086 7.322 675 HZ1 LYS 85 HZ1 LYS 85 6.689 12.732 6.833 676 HZ2 LYS 85 HZ2 LYS 85 7.275 11.428 7.735 677 HZ3 LYS 85 HZ3 LYS 85 6.422 12.668 8.506 678 H THR 86 HN THR 86 5.424 10.828 4.329 679 HA THR 86 HA THR 86 7.712 9.301 3.255 680 HB THR 86 HB THR 86 7.872 11.457 1.707 681 HG1 THR 86 HG1 THR 86 5.372 11.730 1.196 682 HG21 THR 86 HG21 THR 86 7.660 9.294 0.668 683 HG22 THR 86 HG22 THR 86 6.467 10.366 -0.063 684 HG23 THR 86 HG23 THR 86 5.957 9.169 1.122 Start of MODEL 11 1 H1 GLY -2 HT1 GLY -2 -8.769 -8.546 7.377 2 H2 GLY -2 HT2 GLY -2 -8.589 -7.897 5.830 3 H3 GLY -2 HT3 GLY -2 -10.003 -7.612 6.707 4 HA2 GLY -2 HA1 GLY -2 -8.602 -5.659 6.716 5 HA3 GLY -2 HA2 GLY -2 -8.825 -6.314 8.331 6 H SER -1 HN SER -1 -6.660 -4.599 7.473 7 HA SER -1 HA SER -1 -4.471 -6.189 8.412 8 HB2 SER -1 HB2 SER -1 -4.414 -6.809 6.026 9 HB3 SER -1 HB1 SER -1 -4.341 -5.104 5.580 10 HG SER -1 HG SER -1 -2.416 -5.950 7.376 11 H HIS 0 HN HIS 0 -4.980 -3.189 6.520 12 HA HIS 0 HA HIS 0 -3.908 -1.576 8.700 13 HB2 HIS 0 HB2 HIS 0 -2.026 -2.416 7.054 14 HB3 HIS 0 HB1 HIS 0 -2.695 -1.218 5.964 15 HD1 HIS 0 HD1 HIS 0 -2.453 1.346 6.781 16 HD2 HIS 0 HD2 HIS 0 -0.305 -1.478 8.951 17 HE1 HIS 0 HE1 HIS 0 -0.708 2.645 8.042 18 HE2 HIS 0 HE2 HIS 0 0.605 0.917 9.311 19 H MET 1 HN MET 1 -5.107 0.237 8.817 20 HA MET 1 HA MET 1 -6.612 1.076 6.450 21 HB2 MET 1 HB2 MET 1 -8.621 1.440 8.050 22 HB3 MET 1 HB1 MET 1 -8.241 -0.204 7.574 23 HG2 MET 1 HG2 MET 1 -7.071 -0.539 9.696 24 HG3 MET 1 HG1 MET 1 -7.494 1.102 10.180 25 HE1 MET 1 HE1 MET 1 -10.496 0.461 12.181 26 HE2 MET 1 HE2 MET 1 -9.674 1.757 11.309 27 HE3 MET 1 HE3 MET 1 -8.748 0.650 12.325 28 H SER 2 HN SER 2 -5.526 2.928 6.037 29 HA SER 2 HA SER 2 -5.755 5.057 8.044 30 HB2 SER 2 HB2 SER 2 -3.267 4.293 6.496 31 HB3 SER 2 HB1 SER 2 -3.427 5.799 7.415 32 HG SER 2 HG SER 2 -4.130 4.051 9.129 33 H ASP 3 HN ASP 3 -7.062 6.586 7.053 34 HA ASP 3 HA ASP 3 -6.789 7.031 4.204 35 HB2 ASP 3 HB2 ASP 3 -8.683 8.549 4.319 36 HB3 ASP 3 HB1 ASP 3 -9.028 7.046 5.157 37 H ASN 4 HN ASN 4 -6.319 9.337 7.033 38 HA ASN 4 HA ASN 4 -5.125 11.231 7.273 39 HB2 ASN 4 HB2 ASN 4 -2.675 11.142 6.641 40 HB3 ASN 4 HB1 ASN 4 -3.240 9.891 7.717 41 HD21 ASN 4 HD21 ASN 4 -2.921 7.822 7.156 42 HD22 ASN 4 HD22 ASN 4 -2.176 7.302 5.681 43 H ASN 5 HN ASN 5 -3.153 12.658 5.891 44 HA ASN 5 HA ASN 5 -4.734 13.710 3.653 45 HB2 ASN 5 HB2 ASN 5 -3.530 15.014 5.686 46 HB3 ASN 5 HB1 ASN 5 -2.226 15.069 4.503 47 HD21 ASN 5 HD21 ASN 5 -5.703 15.186 3.849 48 HD22 ASN 5 HD22 ASN 5 -5.696 16.786 3.200 49 H ALA 6 HN ALA 6 -3.095 11.213 3.186 50 HA ALA 6 HA ALA 6 -0.655 11.861 1.890 51 HB1 ALA 6 HB1 ALA 6 -2.195 9.385 2.107 52 HB2 ALA 6 HB2 ALA 6 -0.469 9.678 2.259 53 HB3 ALA 6 HB3 ALA 6 -1.216 9.544 0.677 54 H THR 7 HN THR 7 -0.367 12.902 0.073 55 HA THR 7 HA THR 7 -2.015 12.188 -2.279 56 HB THR 7 HB THR 7 -2.074 14.581 -1.919 57 HG1 THR 7 HG1 THR 7 -0.130 14.393 -3.939 58 HG21 THR 7 HG21 THR 7 0.891 14.307 -1.602 59 HG22 THR 7 HG22 THR 7 -0.268 15.183 -0.589 60 HG23 THR 7 HG23 THR 7 0.200 15.831 -2.156 61 H ASP 8 HN ASP 8 -0.681 11.470 -4.274 62 HA ASP 8 HA ASP 8 0.987 10.776 -5.546 63 HB2 ASP 8 HB2 ASP 8 2.612 12.416 -5.827 64 HB3 ASP 8 HB1 ASP 8 1.675 13.257 -4.641 65 H ILE 9 HN ILE 9 0.465 9.315 -2.793 66 HA ILE 9 HA ILE 9 2.841 7.641 -2.768 67 HB ILE 9 HB ILE 9 1.756 8.894 -0.198 68 HG12 ILE 9 HG12 ILE 9 4.561 9.248 -1.192 69 HG13 ILE 9 HG11 ILE 9 3.320 10.199 -1.899 70 HG21 ILE 9 HG21 ILE 9 4.223 7.179 -0.372 71 HG22 ILE 9 HG22 ILE 9 2.632 6.432 -0.274 72 HG23 ILE 9 HG23 ILE 9 3.166 7.491 0.997 73 HD11 ILE 9 HD11 ILE 9 4.505 11.433 -0.195 74 HD12 ILE 9 HD12 ILE 9 4.054 10.242 1.016 75 HD13 ILE 9 HD13 ILE 9 2.814 11.232 0.248 76 H LEU 10 HN LEU 10 2.332 5.477 -2.768 77 HA LEU 10 HA LEU 10 -0.319 4.639 -1.715 78 HB2 LEU 10 HB2 LEU 10 0.785 4.124 -4.475 79 HB3 LEU 10 HB1 LEU 10 -0.363 3.007 -3.777 80 HG LEU 10 HG LEU 10 -0.780 5.318 -5.371 81 HD11 LEU 10 HD11 LEU 10 -3.007 4.545 -5.481 82 HD12 LEU 10 HD12 LEU 10 -2.652 3.382 -4.211 83 HD13 LEU 10 HD13 LEU 10 -1.781 3.311 -5.750 84 HD21 LEU 10 HD21 LEU 10 -2.340 5.700 -2.768 85 HD22 LEU 10 HD22 LEU 10 -2.537 6.623 -4.228 86 HD23 LEU 10 HD23 LEU 10 -1.072 6.776 -3.315 87 H PHE 11 HN PHE 11 0.629 3.141 0.136 88 HA PHE 11 HA PHE 11 2.726 1.342 -0.456 89 HB2 PHE 11 HB2 PHE 11 2.658 2.383 1.689 90 HB3 PHE 11 HB1 PHE 11 0.981 2.038 1.924 91 HD1 PHE 11 HD2 PHE 11 0.363 -0.452 2.560 92 HD2 PHE 11 HD1 PHE 11 4.320 1.216 2.808 93 HE1 PHE 11 HE2 PHE 11 0.947 -1.997 4.401 94 HE2 PHE 11 HE1 PHE 11 4.845 -0.264 4.621 95 HZ PHE 11 HZ PHE 11 3.187 -1.915 5.414 96 H VAL 12 HN VAL 12 2.305 -0.486 -1.869 97 HA VAL 12 HA VAL 12 0.073 -2.240 -1.084 98 HB VAL 12 HB VAL 12 1.243 -3.513 -3.285 99 HG11 VAL 12 HG11 VAL 12 -1.114 -3.602 -3.121 100 HG12 VAL 12 HG12 VAL 12 -0.745 -2.811 -4.648 101 HG13 VAL 12 HG13 VAL 12 -1.271 -1.854 -3.272 102 HG21 VAL 12 HG21 VAL 12 2.495 -1.619 -4.050 103 HG22 VAL 12 HG22 VAL 12 1.032 -0.623 -4.079 104 HG23 VAL 12 HG23 VAL 12 1.190 -1.983 -5.171 105 H GLY 13 HN GLY 13 0.652 -4.132 0.216 106 HA2 GLY 13 HA2 GLY 13 3.277 -5.402 -0.358 107 HA3 GLY 13 HA1 GLY 13 2.720 -5.168 1.308 108 H GLY 14 HN GLY 14 3.122 -7.762 0.825 109 HA2 GLY 14 HA2 GLY 14 2.029 -9.778 0.758 110 HA3 GLY 14 HA1 GLY 14 0.522 -8.926 0.761 111 H ILE 15 HN ILE 15 3.234 -9.199 -1.586 112 HA ILE 15 HA ILE 15 1.196 -9.929 -3.557 113 HB ILE 15 HB ILE 15 3.643 -9.096 -4.869 114 HG12 ILE 15 HG12 ILE 15 2.600 -7.339 -2.680 115 HG13 ILE 15 HG11 ILE 15 4.220 -7.441 -3.331 116 HG21 ILE 15 HG21 ILE 15 2.120 -7.820 -6.184 117 HG22 ILE 15 HG22 ILE 15 0.911 -7.857 -4.905 118 HG23 ILE 15 HG23 ILE 15 1.310 -9.342 -5.780 119 HD11 ILE 15 HD11 ILE 15 3.615 -5.319 -3.911 120 HD12 ILE 15 HD12 ILE 15 1.934 -5.746 -4.190 121 HD13 ILE 15 HD13 ILE 15 3.169 -6.189 -5.373 122 H ASP 16 HN ASP 16 2.088 -11.383 -5.452 123 HA ASP 16 HA ASP 16 2.883 -13.783 -3.989 124 HB2 ASP 16 HB2 ASP 16 1.126 -14.381 -5.201 125 HB3 ASP 16 HB1 ASP 16 1.313 -13.171 -6.433 126 H GLU 17 HN GLU 17 4.522 -15.308 -4.911 127 HA GLU 17 HA GLU 17 6.832 -13.626 -5.008 128 HB2 GLU 17 HB2 GLU 17 8.128 -15.797 -4.521 129 HB3 GLU 17 HB1 GLU 17 6.922 -15.347 -3.316 130 HG2 GLU 17 HG2 GLU 17 5.357 -16.961 -4.570 131 HG3 GLU 17 HG1 GLU 17 6.821 -17.546 -5.363 132 H THR 18 HN THR 18 5.322 -14.722 -7.801 133 HA THR 18 HA THR 18 8.016 -14.788 -9.018 134 HB THR 18 HB THR 18 6.707 -16.767 -9.779 135 HG1 THR 18 HG1 THR 18 8.352 -16.247 -11.075 136 HG21 THR 18 HG21 THR 18 5.012 -14.766 -11.331 137 HG22 THR 18 HG22 THR 18 4.436 -15.956 -10.161 138 HG23 THR 18 HG23 THR 18 5.117 -16.483 -11.687 139 H ILE 19 HN ILE 19 6.255 -12.297 -8.196 140 HA ILE 19 HA ILE 19 6.586 -10.794 -10.673 141 HB ILE 19 HB ILE 19 5.452 -8.883 -9.762 142 HG12 ILE 19 HG12 ILE 19 6.055 -8.259 -7.595 143 HG13 ILE 19 HG11 ILE 19 4.518 -9.022 -7.221 144 HG21 ILE 19 HG21 ILE 19 4.014 -11.381 -8.952 145 HG22 ILE 19 HG22 ILE 19 3.757 -10.360 -10.359 146 HG23 ILE 19 HG23 ILE 19 3.290 -9.791 -8.761 147 HD11 ILE 19 HD11 ILE 19 5.505 -10.816 -6.214 148 HD12 ILE 19 HD12 ILE 19 6.588 -9.484 -5.773 149 HD13 ILE 19 HD13 ILE 19 7.036 -10.592 -7.060 150 H ASP 20 HN ASP 20 7.872 -8.787 -10.736 151 HA ASP 20 HA ASP 20 9.977 -8.540 -8.701 152 HB2 ASP 20 HB2 ASP 20 10.702 -9.982 -10.683 153 HB3 ASP 20 HB1 ASP 20 10.624 -8.541 -11.676 154 H GLU 21 HN GLU 21 11.423 -6.440 -9.688 155 HA GLU 21 HA GLU 21 10.046 -4.107 -9.243 156 HB2 GLU 21 HB2 GLU 21 12.640 -4.503 -9.585 157 HB3 GLU 21 HB1 GLU 21 12.321 -4.021 -11.222 158 HG2 GLU 21 HG2 GLU 21 11.533 -2.179 -9.011 159 HG3 GLU 21 HG1 GLU 21 13.209 -2.301 -9.504 160 H LYS 22 HN LYS 22 10.703 -5.200 -12.601 161 HA LYS 22 HA LYS 22 9.405 -2.984 -13.733 162 HB2 LYS 22 HB2 LYS 22 9.634 -3.931 -15.902 163 HB3 LYS 22 HB1 LYS 22 11.111 -4.164 -15.003 164 HG2 LYS 22 HG2 LYS 22 9.039 -6.332 -15.551 165 HG3 LYS 22 HG1 LYS 22 10.486 -6.048 -16.504 166 HD2 LYS 22 HD2 LYS 22 10.486 -6.859 -13.576 167 HD3 LYS 22 HD1 LYS 22 10.745 -7.948 -14.935 168 HE2 LYS 22 HE2 LYS 22 12.492 -5.574 -14.260 169 HE3 LYS 22 HE1 LYS 22 12.864 -7.247 -13.867 170 HZ1 LYS 22 HZ1 LYS 22 14.020 -6.554 -15.836 171 HZ2 LYS 22 HZ2 LYS 22 12.573 -6.101 -16.583 172 HZ3 LYS 22 HZ3 LYS 22 12.875 -7.731 -16.247 173 H SER 23 HN SER 23 8.145 -6.210 -13.124 174 HA SER 23 HA SER 23 5.653 -6.013 -14.371 175 HB2 SER 23 HB2 SER 23 5.246 -7.724 -12.165 176 HB3 SER 23 HB1 SER 23 5.852 -8.177 -13.754 177 HG SER 23 HG SER 23 7.420 -7.289 -11.570 178 H LEU 24 HN LEU 24 6.522 -4.749 -11.082 179 HA LEU 24 HA LEU 24 3.722 -4.034 -10.611 180 HB2 LEU 24 HB2 LEU 24 6.082 -3.589 -8.786 181 HB3 LEU 24 HB1 LEU 24 4.441 -3.108 -8.435 182 HG LEU 24 HG LEU 24 5.207 -5.962 -9.053 183 HD11 LEU 24 HD11 LEU 24 6.482 -5.374 -7.066 184 HD12 LEU 24 HD12 LEU 24 5.133 -6.419 -6.626 185 HD13 LEU 24 HD13 LEU 24 5.035 -4.697 -6.318 186 HD21 LEU 24 HD21 LEU 24 2.779 -5.415 -9.264 187 HD22 LEU 24 HD22 LEU 24 2.785 -4.925 -7.575 188 HD23 LEU 24 HD23 LEU 24 3.119 -6.580 -7.996 189 H TYR 25 HN TYR 25 6.250 -2.703 -12.202 190 HA TYR 25 HA TYR 25 5.481 0.093 -12.087 191 HB2 TYR 25 HB2 TYR 25 7.840 -0.342 -12.572 192 HB3 TYR 25 HB1 TYR 25 7.465 -1.408 -13.908 193 HD1 TYR 25 HD2 TYR 25 6.298 -0.049 -15.977 194 HD2 TYR 25 HD1 TYR 25 8.791 1.667 -12.985 195 HE1 TYR 25 HE2 TYR 25 6.873 1.772 -17.515 196 HE2 TYR 25 HE1 TYR 25 9.391 3.472 -14.549 197 HH TYR 25 HH TYR 25 7.710 4.094 -17.398 198 H ASP 26 HN ASP 26 5.180 -2.400 -14.822 199 HA ASP 26 HA ASP 26 3.379 -0.852 -16.317 200 HB2 ASP 26 HB2 ASP 26 4.641 -3.506 -16.714 201 HB3 ASP 26 HB1 ASP 26 3.187 -3.152 -17.624 202 H ILE 27 HN ILE 27 2.388 -3.590 -14.114 203 HA ILE 27 HA ILE 27 -0.205 -3.582 -15.238 204 HB ILE 27 HB ILE 27 0.393 -4.588 -12.387 205 HG12 ILE 27 HG12 ILE 27 -0.047 -6.672 -14.394 206 HG13 ILE 27 HG11 ILE 27 1.343 -5.730 -14.856 207 HG21 ILE 27 HG21 ILE 27 -1.853 -5.286 -14.277 208 HG22 ILE 27 HG22 ILE 27 -1.981 -4.212 -12.900 209 HG23 ILE 27 HG23 ILE 27 -1.636 -5.908 -12.645 210 HD11 ILE 27 HD11 ILE 27 1.759 -7.862 -13.593 211 HD12 ILE 27 HD12 ILE 27 1.124 -7.081 -12.148 212 HD13 ILE 27 HD13 ILE 27 2.566 -6.440 -12.951 213 H PHE 28 HN PHE 28 1.110 -1.559 -12.468 214 HA PHE 28 HA PHE 28 -1.399 -0.184 -12.292 215 HB2 PHE 28 HB2 PHE 28 1.303 0.155 -11.070 216 HB3 PHE 28 HB1 PHE 28 0.073 1.401 -10.894 217 HD1 PHE 28 HD2 PHE 28 0.359 -2.327 -10.393 218 HD2 PHE 28 HD1 PHE 28 -1.103 1.451 -9.040 219 HE1 PHE 28 HE2 PHE 28 -0.552 -3.401 -8.387 220 HE2 PHE 28 HE1 PHE 28 -2.001 0.408 -7.009 221 HZ PHE 28 HZ PHE 28 -1.739 -2.043 -6.673 222 H SER 29 HN SER 29 1.097 0.106 -14.750 223 HA SER 29 HA SER 29 1.042 2.985 -14.792 224 HB2 SER 29 HB2 SER 29 2.323 2.861 -16.912 225 HB3 SER 29 HB1 SER 29 3.148 2.057 -15.582 226 HG SER 29 HG SER 29 2.802 1.004 -17.843 227 H SER 30 HN SER 30 -1.334 0.859 -15.683 228 HA SER 30 HA SER 30 -1.942 1.726 -18.320 229 HB2 SER 30 HB2 SER 30 -4.132 0.455 -17.905 230 HB3 SER 30 HB1 SER 30 -2.643 -0.480 -17.757 231 HG SER 30 HG SER 30 -2.958 -0.691 -15.663 232 H PHE 31 HN PHE 31 -3.444 2.613 -15.116 233 HA PHE 31 HA PHE 31 -4.640 4.919 -16.368 234 HB2 PHE 31 HB2 PHE 31 -4.594 3.757 -13.644 235 HB3 PHE 31 HB1 PHE 31 -4.820 5.500 -13.765 236 HD1 PHE 31 HD1 PHE 31 -6.178 2.318 -15.197 237 HD2 PHE 31 HD2 PHE 31 -6.938 6.311 -13.925 238 HE1 PHE 31 HE1 PHE 31 -8.589 1.970 -15.546 239 HE2 PHE 31 HE2 PHE 31 -9.349 5.969 -14.276 240 HZ PHE 31 HZ PHE 31 -10.177 3.797 -15.085 241 H GLY 32 HN GLY 32 -1.675 4.330 -14.481 242 HA2 GLY 32 HA2 GLY 32 -0.895 7.156 -14.858 243 HA3 GLY 32 HA1 GLY 32 -0.944 6.449 -13.279 244 H ASP 33 HN ASP 33 1.142 7.151 -15.688 245 HA ASP 33 HA ASP 33 3.142 5.157 -15.334 246 HB2 ASP 33 HB2 ASP 33 3.682 8.014 -16.191 247 HB3 ASP 33 HB1 ASP 33 4.774 6.654 -16.321 248 H ILE 34 HN ILE 34 5.522 5.820 -14.355 249 HA ILE 34 HA ILE 34 4.735 6.107 -11.513 250 HB ILE 34 HB ILE 34 6.253 3.823 -12.851 251 HG12 ILE 34 HG12 ILE 34 3.941 3.168 -12.754 252 HG13 ILE 34 HG11 ILE 34 4.711 2.356 -11.425 253 HG21 ILE 34 HG21 ILE 34 7.594 4.365 -10.937 254 HG22 ILE 34 HG22 ILE 34 6.863 2.783 -10.814 255 HG23 ILE 34 HG23 ILE 34 6.221 4.116 -9.874 256 HD11 ILE 34 HD11 ILE 34 2.475 3.989 -11.329 257 HD12 ILE 34 HD12 ILE 34 3.726 4.835 -10.470 258 HD13 ILE 34 HD13 ILE 34 3.324 3.208 -10.004 259 H ARG 35 HN ARG 35 6.312 7.094 -9.933 260 HA ARG 35 HA ARG 35 8.622 8.485 -11.000 261 HB2 ARG 35 HB2 ARG 35 7.016 8.916 -8.614 262 HB3 ARG 35 HB1 ARG 35 8.713 8.734 -8.112 263 HG2 ARG 35 HG2 ARG 35 9.289 10.747 -8.887 264 HG3 ARG 35 HG1 ARG 35 8.310 10.655 -10.334 265 HD2 ARG 35 HD2 ARG 35 7.337 12.405 -9.167 266 HD3 ARG 35 HD1 ARG 35 6.301 11.066 -8.688 267 HE ARG 35 HE ARG 35 8.290 11.289 -6.767 268 HH11 ARG 35 HH11 ARG 35 5.585 13.156 -8.030 269 HH12 ARG 35 HH12 ARG 35 5.309 14.004 -6.543 270 HH21 ARG 35 HH21 ARG 35 7.952 12.475 -4.820 271 HH22 ARG 35 HH22 ARG 35 6.647 13.616 -4.724 272 H ASN 36 HN ASN 36 8.450 5.646 -8.689 273 HA ASN 36 HA ASN 36 11.147 4.951 -8.748 274 HB2 ASN 36 HB2 ASN 36 11.480 7.213 -7.697 275 HB3 ASN 36 HB1 ASN 36 10.468 6.715 -6.346 276 HD21 ASN 36 HD21 ASN 36 12.051 6.864 -4.689 277 HD22 ASN 36 HD22 ASN 36 13.447 5.835 -4.691 278 H ILE 37 HN ILE 37 11.489 3.241 -6.610 279 HA ILE 37 HA ILE 37 8.939 2.356 -5.616 280 HB ILE 37 HB ILE 37 9.901 1.221 -8.178 281 HG12 ILE 37 HG12 ILE 37 7.345 0.314 -7.053 282 HG13 ILE 37 HG11 ILE 37 7.556 2.057 -7.281 283 HG21 ILE 37 HG21 ILE 37 9.428 -1.117 -7.874 284 HG22 ILE 37 HG22 ILE 37 9.211 -0.895 -6.139 285 HG23 ILE 37 HG23 ILE 37 10.794 -0.642 -6.861 286 HD11 ILE 37 HD11 ILE 37 8.132 1.739 -9.545 287 HD12 ILE 37 HD12 ILE 37 6.641 0.870 -9.234 288 HD13 ILE 37 HD13 ILE 37 8.167 -0.003 -9.325 289 H GLU 38 HN GLU 38 9.252 1.336 -3.665 290 HA GLU 38 HA GLU 38 11.942 0.147 -3.277 291 HB2 GLU 38 HB2 GLU 38 11.183 2.285 -1.748 292 HB3 GLU 38 HB1 GLU 38 10.350 1.074 -0.801 293 HG2 GLU 38 HG2 GLU 38 12.338 0.125 -0.060 294 HG3 GLU 38 HG1 GLU 38 13.298 0.938 -1.304 295 H VAL 39 HN VAL 39 11.452 -1.917 -3.976 296 HA VAL 39 HA VAL 39 10.045 -3.431 -1.894 297 HB VAL 39 HB VAL 39 8.363 -3.542 -3.600 298 HG11 VAL 39 HG11 VAL 39 9.508 -2.970 -5.618 299 HG12 VAL 39 HG12 VAL 39 8.735 -4.537 -5.828 300 HG13 VAL 39 HG13 VAL 39 10.472 -4.439 -5.533 301 HG21 VAL 39 HG21 VAL 39 8.140 -5.911 -4.096 302 HG22 VAL 39 HG22 VAL 39 8.767 -5.717 -2.462 303 HG23 VAL 39 HG23 VAL 39 9.849 -6.156 -3.775 304 HA PRO 40 HA PRO 40 14.239 -5.268 -2.071 305 HB2 PRO 40 HB2 PRO 40 14.040 -6.320 0.445 306 HB3 PRO 40 HB1 PRO 40 14.477 -4.622 0.188 307 HG2 PRO 40 HG2 PRO 40 11.782 -5.772 0.765 308 HG3 PRO 40 HG1 PRO 40 12.645 -4.435 1.579 309 HD2 PRO 40 HD2 PRO 40 10.844 -3.862 -0.252 310 HD3 PRO 40 HD1 PRO 40 12.370 -3.008 -0.220 311 H LEU 41 HN LEU 41 14.746 -7.530 -2.389 312 HA LEU 41 HA LEU 41 12.516 -9.395 -2.098 313 HB2 LEU 41 HB2 LEU 41 13.073 -8.221 -4.695 314 HB3 LEU 41 HB1 LEU 41 13.529 -9.905 -4.772 315 HG LEU 41 HG LEU 41 11.319 -10.657 -4.693 316 HD11 LEU 41 HD11 LEU 41 10.530 -9.521 -2.594 317 HD12 LEU 41 HD12 LEU 41 9.359 -9.577 -3.895 318 HD13 LEU 41 HD13 LEU 41 10.212 -8.087 -3.563 319 HD21 LEU 41 HD21 LEU 41 9.999 -9.370 -6.186 320 HD22 LEU 41 HD22 LEU 41 11.681 -9.199 -6.677 321 HD23 LEU 41 HD23 LEU 41 10.876 -7.898 -5.790 322 H ASN 42 HN ASN 42 13.415 -11.716 -1.966 323 HA ASN 42 HA ASN 42 16.196 -11.323 -1.112 324 HB2 ASN 42 HB2 ASN 42 14.439 -11.656 0.771 325 HB3 ASN 42 HB1 ASN 42 14.374 -13.336 0.259 326 HD21 ASN 42 HD21 ASN 42 15.063 -13.659 2.473 327 HD22 ASN 42 HD22 ASN 42 16.749 -13.674 2.803 328 H MET 43 HN MET 43 17.766 -13.075 -1.524 329 HA MET 43 HA MET 43 17.099 -14.216 -4.063 330 HB2 MET 43 HB2 MET 43 19.522 -13.452 -2.789 331 HB3 MET 43 HB1 MET 43 19.700 -15.175 -3.073 332 HG2 MET 43 HG2 MET 43 19.281 -14.793 -5.528 333 HG3 MET 43 HG1 MET 43 19.133 -13.058 -5.203 334 HE1 MET 43 HE1 MET 43 21.513 -12.562 -3.018 335 HE2 MET 43 HE2 MET 43 21.036 -11.538 -4.370 336 HE3 MET 43 HE3 MET 43 22.724 -12.021 -4.176 337 H THR 44 HN THR 44 16.369 -15.708 -1.108 338 HA THR 44 HA THR 44 16.968 -18.361 -2.169 339 HB THR 44 HB THR 44 15.894 -17.655 0.612 340 HG1 THR 44 HG1 THR 44 18.391 -18.606 -0.328 341 HG21 THR 44 HG21 THR 44 14.955 -19.856 0.066 342 HG22 THR 44 HG22 THR 44 16.233 -19.985 1.275 343 HG23 THR 44 HG23 THR 44 16.560 -20.444 -0.394 344 H THR 45 HN THR 45 13.978 -16.537 -1.243 345 HA THR 45 HA THR 45 12.575 -18.312 -3.058 346 HB THR 45 HB THR 45 12.103 -19.331 -0.960 347 HG1 THR 45 HG1 THR 45 10.023 -18.160 -2.353 348 HG21 THR 45 HG21 THR 45 11.132 -16.669 0.069 349 HG22 THR 45 HG22 THR 45 12.344 -17.769 0.771 350 HG23 THR 45 HG23 THR 45 10.638 -18.205 0.758 351 H LYS 46 HN LYS 46 13.377 -15.252 -3.172 352 HA LYS 46 HA LYS 46 12.524 -13.227 -3.801 353 HB2 LYS 46 HB2 LYS 46 12.275 -14.760 -5.778 354 HB3 LYS 46 HB1 LYS 46 10.609 -15.080 -5.362 355 HG2 LYS 46 HG2 LYS 46 10.498 -13.609 -7.123 356 HG3 LYS 46 HG1 LYS 46 10.239 -12.555 -5.738 357 HD2 LYS 46 HD2 LYS 46 11.708 -11.319 -6.997 358 HD3 LYS 46 HD1 LYS 46 12.848 -12.176 -5.965 359 HE2 LYS 46 HE2 LYS 46 13.317 -13.757 -7.715 360 HE3 LYS 46 HE1 LYS 46 12.025 -13.094 -8.714 361 HZ1 LYS 46 HZ1 LYS 46 14.502 -11.667 -7.915 362 HZ2 LYS 46 HZ2 LYS 46 13.259 -11.004 -8.856 363 HZ3 LYS 46 HZ3 LYS 46 14.175 -12.302 -9.445 364 H LYS 47 HN LYS 47 11.286 -14.304 -1.267 365 HA LYS 47 HA LYS 47 8.630 -13.363 -1.177 366 HB2 LYS 47 HB2 LYS 47 8.837 -13.597 1.297 367 HB3 LYS 47 HB1 LYS 47 9.301 -15.014 0.398 368 HG2 LYS 47 HG2 LYS 47 10.835 -14.883 2.161 369 HG3 LYS 47 HG1 LYS 47 11.715 -14.361 0.738 370 HD2 LYS 47 HD2 LYS 47 11.720 -12.067 1.476 371 HD3 LYS 47 HD1 LYS 47 10.557 -12.404 2.758 372 HE2 LYS 47 HE2 LYS 47 13.262 -13.685 2.608 373 HE3 LYS 47 HE1 LYS 47 12.945 -12.204 3.510 374 HZ1 LYS 47 HZ1 LYS 47 11.689 -14.856 3.978 375 HZ2 LYS 47 HZ2 LYS 47 11.297 -13.443 4.818 376 HZ3 LYS 47 HZ3 LYS 47 12.846 -14.109 4.959 377 H ASN 48 HN ASN 48 7.704 -11.339 -0.537 378 HA ASN 48 HA ASN 48 9.647 -9.105 -0.394 379 HB2 ASN 48 HB2 ASN 48 7.665 -7.578 -0.636 380 HB3 ASN 48 HB1 ASN 48 7.913 -8.642 -2.004 381 HD21 ASN 48 HD21 ASN 48 6.466 -10.323 -2.370 382 HD22 ASN 48 HD22 ASN 48 4.941 -10.440 -1.576 383 H ARG 49 HN ARG 49 8.257 -11.087 1.815 384 HA ARG 49 HA ARG 49 7.540 -11.055 3.939 385 HB2 ARG 49 HB2 ARG 49 9.031 -9.145 5.373 386 HB3 ARG 49 HB1 ARG 49 9.454 -10.823 5.168 387 HG2 ARG 49 HG2 ARG 49 10.721 -9.981 3.040 388 HG3 ARG 49 HG1 ARG 49 10.589 -8.393 3.827 389 HD2 ARG 49 HD2 ARG 49 11.841 -9.215 5.745 390 HD3 ARG 49 HD1 ARG 49 11.833 -10.846 5.123 391 HE ARG 49 HE ARG 49 13.702 -10.357 4.008 392 HH11 ARG 49 HH12 ARG 49 12.075 -7.236 4.325 393 HH12 ARG 49 HH11 ARG 49 13.341 -6.384 3.532 394 HH21 ARG 49 HH21 ARG 49 15.352 -9.178 2.968 395 HH22 ARG 49 HH22 ARG 49 15.185 -7.466 2.766 396 H GLY 50 HN GLY 50 5.516 -9.975 2.877 397 HA2 GLY 50 HA2 GLY 50 3.601 -8.905 3.427 398 HA3 GLY 50 HA1 GLY 50 4.331 -8.601 4.985 399 H PHE 51 HN PHE 51 5.935 -7.011 2.231 400 HA PHE 51 HA PHE 51 4.536 -4.574 2.781 401 HB2 PHE 51 HB2 PHE 51 5.704 -3.714 4.513 402 HB3 PHE 51 HB1 PHE 51 6.113 -5.359 4.793 403 HD1 PHE 51 HD1 PHE 51 8.425 -6.150 4.605 404 HD2 PHE 51 HD2 PHE 51 7.445 -2.035 3.870 405 HE1 PHE 51 HE1 PHE 51 10.764 -5.525 4.806 406 HE2 PHE 51 HE2 PHE 51 9.792 -1.459 4.053 407 HZ PHE 51 HZ PHE 51 11.471 -3.200 4.502 408 H ALA 52 HN ALA 52 4.711 -3.303 0.740 409 HA ALA 52 HA ALA 52 7.462 -2.793 -0.243 410 HB1 ALA 52 HB1 ALA 52 6.514 -2.872 -2.614 411 HB2 ALA 52 HB2 ALA 52 5.095 -3.655 -1.953 412 HB3 ALA 52 HB3 ALA 52 6.659 -4.429 -1.832 413 H PHE 53 HN PHE 53 7.693 -0.546 -1.036 414 HA PHE 53 HA PHE 53 5.419 1.271 -0.729 415 HB2 PHE 53 HB2 PHE 53 8.392 1.808 -0.943 416 HB3 PHE 53 HB1 PHE 53 7.187 3.091 -0.912 417 HD1 PHE 53 HD1 PHE 53 8.868 0.455 1.089 418 HD2 PHE 53 HD2 PHE 53 6.204 3.801 1.280 419 HE1 PHE 53 HE1 PHE 53 9.127 0.527 3.493 420 HE2 PHE 53 HE2 PHE 53 6.469 3.816 3.717 421 HZ PHE 53 HZ PHE 53 7.924 2.194 4.832 422 H VAL 54 HN VAL 54 4.751 2.797 -2.598 423 HA VAL 54 HA VAL 54 5.924 2.366 -5.238 424 HB VAL 54 HB VAL 54 2.958 1.665 -4.819 425 HG11 VAL 54 HG11 VAL 54 2.655 1.440 -7.269 426 HG12 VAL 54 HG12 VAL 54 4.125 2.354 -7.521 427 HG13 VAL 54 HG13 VAL 54 2.759 3.104 -6.731 428 HG21 VAL 54 HG21 VAL 54 4.998 0.171 -6.395 429 HG22 VAL 54 HG22 VAL 54 3.332 -0.270 -6.107 430 HG23 VAL 54 HG23 VAL 54 4.465 -0.237 -4.779 431 H GLU 55 HN GLU 55 6.422 4.707 -5.770 432 HA GLU 55 HA GLU 55 4.370 6.639 -5.160 433 HB2 GLU 55 HB2 GLU 55 7.183 6.660 -5.527 434 HB3 GLU 55 HB1 GLU 55 6.482 7.859 -6.601 435 HG2 GLU 55 HG2 GLU 55 7.227 8.760 -4.491 436 HG3 GLU 55 HG1 GLU 55 5.534 8.996 -4.757 437 H TYR 56 HN TYR 56 3.181 8.048 -6.653 438 HA TYR 56 HA TYR 56 3.033 6.993 -9.424 439 HB2 TYR 56 HB2 TYR 56 0.987 7.848 -7.567 440 HB3 TYR 56 HB1 TYR 56 0.900 8.854 -8.996 441 HD1 TYR 56 HD1 TYR 56 1.125 5.106 -8.200 442 HD2 TYR 56 HD2 TYR 56 -0.483 8.181 -10.688 443 HE1 TYR 56 HE1 TYR 56 -0.366 3.495 -9.225 444 HE2 TYR 56 HE2 TYR 56 -1.959 6.565 -11.674 445 HH TYR 56 HH TYR 56 -2.065 4.116 -12.077 446 H VAL 57 HN VAL 57 2.450 8.856 -11.297 447 HA VAL 57 HA VAL 57 4.003 11.294 -10.830 448 HB VAL 57 HB VAL 57 2.970 10.064 -13.420 449 HG11 VAL 57 HG11 VAL 57 3.416 13.032 -13.154 450 HG12 VAL 57 HG12 VAL 57 2.199 12.171 -14.099 451 HG13 VAL 57 HG13 VAL 57 3.867 12.186 -14.624 452 HG21 VAL 57 HG21 VAL 57 5.339 9.748 -12.722 453 HG22 VAL 57 HG22 VAL 57 5.581 11.473 -12.903 454 HG23 VAL 57 HG23 VAL 57 5.164 10.502 -14.286 455 H GLU 58 HN GLU 58 0.498 10.597 -10.879 456 HA GLU 58 HA GLU 58 0.042 13.479 -11.183 457 HB2 GLU 58 HB2 GLU 58 -2.222 12.593 -12.304 458 HB3 GLU 58 HB1 GLU 58 -0.841 12.933 -13.254 459 HG2 GLU 58 HG2 GLU 58 -1.409 10.160 -12.237 460 HG3 GLU 58 HG1 GLU 58 -2.130 10.795 -13.718 461 H VAL 59 HN VAL 59 -1.310 14.424 -9.459 462 HA VAL 59 HA VAL 59 -1.924 12.568 -7.394 463 HB VAL 59 HB VAL 59 -1.566 14.141 -5.993 464 HG11 VAL 59 HG11 VAL 59 -1.187 16.141 -8.144 465 HG12 VAL 59 HG12 VAL 59 0.033 15.060 -7.458 466 HG13 VAL 59 HG13 VAL 59 -0.692 16.312 -6.467 467 HG21 VAL 59 HG21 VAL 59 -3.576 16.121 -7.031 468 HG22 VAL 59 HG22 VAL 59 -2.723 16.200 -5.503 469 HG23 VAL 59 HG23 VAL 59 -3.885 14.916 -5.782 470 H ASP 60 HN ASP 60 -4.281 14.047 -9.667 471 HA ASP 60 HA ASP 60 -6.546 13.157 -8.049 472 HB2 ASP 60 HB2 ASP 60 -6.856 14.907 -9.761 473 HB3 ASP 60 HB1 ASP 60 -6.567 13.712 -11.030 474 H ASP 61 HN ASP 61 -5.440 11.748 -11.147 475 HA ASP 61 HA ASP 61 -6.474 9.272 -11.085 476 HB2 ASP 61 HB2 ASP 61 -3.596 9.690 -11.941 477 HB3 ASP 61 HB1 ASP 61 -4.665 8.392 -12.442 478 H ALA 62 HN ALA 62 -3.324 9.846 -9.358 479 HA ALA 62 HA ALA 62 -2.909 7.562 -8.042 480 HB1 ALA 62 HB1 ALA 62 -1.616 9.684 -7.752 481 HB2 ALA 62 HB2 ALA 62 -1.864 8.781 -6.280 482 HB3 ALA 62 HB3 ALA 62 -2.829 10.194 -6.610 483 H LYS 63 HN LYS 63 -4.798 10.034 -6.324 484 HA LYS 63 HA LYS 63 -5.874 8.453 -4.319 485 HB2 LYS 63 HB2 LYS 63 -7.378 10.797 -5.523 486 HB3 LYS 63 HB1 LYS 63 -7.711 9.996 -3.994 487 HG2 LYS 63 HG2 LYS 63 -5.478 10.631 -3.159 488 HG3 LYS 63 HG1 LYS 63 -5.164 11.483 -4.667 489 HD2 LYS 63 HD2 LYS 63 -6.835 13.106 -4.202 490 HD3 LYS 63 HD1 LYS 63 -7.494 12.172 -2.860 491 HE2 LYS 63 HE2 LYS 63 -5.289 12.485 -1.705 492 HE3 LYS 63 HE1 LYS 63 -4.857 13.609 -2.989 493 HZ1 LYS 63 HZ1 LYS 63 -7.095 13.868 -1.060 494 HZ2 LYS 63 HZ2 LYS 63 -6.909 14.866 -2.412 495 HZ3 LYS 63 HZ3 LYS 63 -5.734 14.868 -1.196 496 H HIS 64 HN HIS 64 -7.587 8.923 -7.480 497 HA HIS 64 HA HIS 64 -9.680 7.232 -6.700 498 HB2 HIS 64 HB2 HIS 64 -9.126 8.642 -9.127 499 HB3 HIS 64 HB1 HIS 64 -9.790 7.054 -9.453 500 HD1 HIS 64 HD1 HIS 64 -11.748 6.719 -7.205 501 HD2 HIS 64 HD2 HIS 64 -11.270 10.292 -9.249 502 HE1 HIS 64 HE1 HIS 64 -13.879 7.993 -6.828 503 HE2 HIS 64 HE2 HIS 64 -13.631 10.043 -8.250 504 H ALA 65 HN ALA 65 -6.617 6.338 -8.371 505 HA ALA 65 HA ALA 65 -7.346 3.722 -8.987 506 HB1 ALA 65 HB1 ALA 65 -5.282 4.601 -9.881 507 HB2 ALA 65 HB2 ALA 65 -4.977 3.094 -9.038 508 HB3 ALA 65 HB3 ALA 65 -4.549 4.623 -8.294 509 H LEU 66 HN LEU 66 -5.601 4.614 -5.929 510 HA LEU 66 HA LEU 66 -5.751 2.101 -4.876 511 HB2 LEU 66 HB2 LEU 66 -4.510 2.792 -3.201 512 HB3 LEU 66 HB1 LEU 66 -4.574 4.380 -3.863 513 HG LEU 66 HG LEU 66 -6.611 4.676 -2.111 514 HD11 LEU 66 HD11 LEU 66 -6.391 3.382 -0.126 515 HD12 LEU 66 HD12 LEU 66 -5.012 2.494 -0.767 516 HD13 LEU 66 HD13 LEU 66 -6.609 2.250 -1.451 517 HD21 LEU 66 HD21 LEU 66 -4.604 5.991 -1.929 518 HD22 LEU 66 HD22 LEU 66 -3.669 4.597 -1.432 519 HD23 LEU 66 HD23 LEU 66 -4.907 5.247 -0.366 520 H TYR 67 HN TYR 67 -8.440 4.455 -4.393 521 HA TYR 67 HA TYR 67 -10.028 2.780 -2.841 522 HB2 TYR 67 HB2 TYR 67 -10.395 5.236 -3.658 523 HB3 TYR 67 HB1 TYR 67 -11.237 4.473 -5.005 524 HD1 TYR 67 HD1 TYR 67 -11.287 5.122 -1.370 525 HD2 TYR 67 HD2 TYR 67 -13.402 3.413 -4.666 526 HE1 TYR 67 HE1 TYR 67 -13.310 4.972 0.004 527 HE2 TYR 67 HE2 TYR 67 -15.432 3.287 -3.289 528 HH TYR 67 HH TYR 67 -16.109 3.245 -1.004 529 H ASN 68 HN ASN 68 -9.792 2.759 -6.404 530 HA ASN 68 HA ASN 68 -11.492 0.499 -6.814 531 HB2 ASN 68 HB2 ASN 68 -10.727 2.155 -8.659 532 HB3 ASN 68 HB1 ASN 68 -9.236 1.213 -8.749 533 HD21 ASN 68 HD21 ASN 68 -9.236 -0.698 -9.779 534 HD22 ASN 68 HD22 ASN 68 -10.591 -1.336 -10.618 535 H MET 69 HN MET 69 -8.718 0.247 -5.014 536 HA MET 69 HA MET 69 -7.631 -1.999 -6.562 537 HB2 MET 69 HB2 MET 69 -6.341 0.223 -5.080 538 HB3 MET 69 HB1 MET 69 -5.531 -1.328 -5.007 539 HG2 MET 69 HG2 MET 69 -6.157 0.248 -7.518 540 HG3 MET 69 HG1 MET 69 -4.591 0.032 -6.751 541 HE1 MET 69 HE1 MET 69 -7.232 -1.378 -9.158 542 HE2 MET 69 HE2 MET 69 -6.088 -2.336 -10.103 543 HE3 MET 69 HE3 MET 69 -5.795 -0.617 -9.845 544 H ASN 70 HN ASN 70 -9.290 -1.389 -3.661 545 HA ASN 70 HA ASN 70 -8.135 -3.199 -1.855 546 HB2 ASN 70 HB2 ASN 70 -10.555 -3.414 -0.918 547 HB3 ASN 70 HB1 ASN 70 -9.690 -1.901 -0.749 548 HD21 ASN 70 HD21 ASN 70 -11.440 -0.569 -0.606 549 HD22 ASN 70 HD22 ASN 70 -12.609 -0.319 -1.858 550 H ASN 71 HN ASN 71 -10.767 -3.953 -4.182 551 HA ASN 71 HA ASN 71 -10.592 -6.727 -3.352 552 HB2 ASN 71 HB2 ASN 71 -12.650 -7.044 -4.599 553 HB3 ASN 71 HB1 ASN 71 -12.785 -5.628 -3.561 554 HD21 ASN 71 HD21 ASN 71 -12.857 -3.547 -4.510 555 HD22 ASN 71 HD22 ASN 71 -13.198 -3.341 -6.193 556 H PHE 72 HN PHE 72 -8.716 -5.168 -5.458 557 HA PHE 72 HA PHE 72 -8.991 -6.870 -7.767 558 HB2 PHE 72 HB2 PHE 72 -8.330 -4.767 -8.494 559 HB3 PHE 72 HB1 PHE 72 -7.277 -4.471 -7.118 560 HD1 PHE 72 HD2 PHE 72 -7.564 -6.232 -10.372 561 HD2 PHE 72 HD1 PHE 72 -4.972 -4.901 -7.283 562 HE1 PHE 72 HE2 PHE 72 -5.609 -6.689 -11.819 563 HE2 PHE 72 HE1 PHE 72 -3.018 -5.355 -8.705 564 HZ PHE 72 HZ PHE 72 -3.341 -6.260 -10.972 565 H GLU 73 HN GLU 73 -7.955 -8.882 -8.031 566 HA GLU 73 HA GLU 73 -6.073 -9.672 -5.977 567 HB2 GLU 73 HB2 GLU 73 -6.475 -11.935 -6.591 568 HB3 GLU 73 HB1 GLU 73 -8.027 -11.160 -6.507 569 HG2 GLU 73 HG2 GLU 73 -6.509 -11.829 -9.046 570 HG3 GLU 73 HG1 GLU 73 -7.842 -12.699 -8.380 571 H LEU 74 HN LEU 74 -3.918 -10.648 -6.497 572 HA LEU 74 HA LEU 74 -3.002 -10.206 -9.271 573 HB2 LEU 74 HB2 LEU 74 -1.989 -8.840 -6.930 574 HB3 LEU 74 HB1 LEU 74 -0.684 -9.767 -7.633 575 HG LEU 74 HG LEU 74 -2.383 -7.739 -9.144 576 HD11 LEU 74 HD11 LEU 74 0.356 -7.478 -7.932 577 HD12 LEU 74 HD12 LEU 74 -1.108 -6.630 -7.431 578 HD13 LEU 74 HD13 LEU 74 -0.395 -6.305 -9.013 579 HD21 LEU 74 HD21 LEU 74 0.247 -9.003 -9.950 580 HD22 LEU 74 HD22 LEU 74 -0.676 -7.814 -10.860 581 HD23 LEU 74 HD23 LEU 74 -1.322 -9.428 -10.629 582 H ASN 75 HN ASN 75 -2.710 -12.451 -10.051 583 HA ASN 75 HA ASN 75 -1.962 -14.643 -10.110 584 HB2 ASN 75 HB2 ASN 75 0.364 -13.380 -8.558 585 HB3 ASN 75 HB1 ASN 75 0.352 -15.069 -9.025 586 HD21 ASN 75 HD21 ASN 75 2.497 -13.832 -9.869 587 HD22 ASN 75 HD22 ASN 75 2.398 -13.381 -11.543 588 H GLY 76 HN GLY 76 -3.984 -14.860 -8.453 589 HA2 GLY 76 HA2 GLY 76 -4.935 -16.050 -6.773 590 HA3 GLY 76 HA1 GLY 76 -3.469 -16.992 -6.758 591 H LYS 77 HN LYS 77 -3.388 -13.619 -5.870 592 HA LYS 77 HA LYS 77 -3.279 -14.260 -3.064 593 HB2 LYS 77 HB2 LYS 77 -0.929 -14.421 -3.701 594 HB3 LYS 77 HB1 LYS 77 -0.955 -12.860 -4.489 595 HG2 LYS 77 HG2 LYS 77 -0.974 -11.678 -2.507 596 HG3 LYS 77 HG1 LYS 77 -1.497 -13.063 -1.543 597 HD2 LYS 77 HD2 LYS 77 1.103 -13.152 -3.020 598 HD3 LYS 77 HD1 LYS 77 1.006 -12.279 -1.496 599 HE2 LYS 77 HE2 LYS 77 0.492 -14.256 -0.292 600 HE3 LYS 77 HE1 LYS 77 0.196 -15.166 -1.771 601 HZ1 LYS 77 HZ1 LYS 77 2.488 -15.074 -2.315 602 HZ2 LYS 77 HZ2 LYS 77 2.360 -15.627 -0.723 603 HZ3 LYS 77 HZ3 LYS 77 2.825 -14.027 -1.028 604 H ARG 78 HN ARG 78 -3.510 -12.298 -1.658 605 HA ARG 78 HA ARG 78 -5.210 -10.298 -3.043 606 HB2 ARG 78 HB2 ARG 78 -6.220 -11.933 -1.197 607 HB3 ARG 78 HB1 ARG 78 -5.480 -10.842 -0.042 608 HG2 ARG 78 HG2 ARG 78 -7.822 -10.392 -1.893 609 HG3 ARG 78 HG1 ARG 78 -7.739 -10.273 -0.150 610 HD2 ARG 78 HD2 ARG 78 -6.027 -8.252 -0.885 611 HD3 ARG 78 HD1 ARG 78 -7.201 -8.238 -2.199 612 HE ARG 78 HE ARG 78 -8.880 -7.673 -0.695 613 HH11 ARG 78 HH11 ARG 78 -5.786 -8.056 0.941 614 HH12 ARG 78 HH12 ARG 78 -6.311 -7.257 2.384 615 HH21 ARG 78 HH21 ARG 78 -9.575 -6.647 1.208 616 HH22 ARG 78 HH22 ARG 78 -8.478 -6.452 2.533 617 H ILE 79 HN ILE 79 -4.328 -8.139 -3.030 618 HA ILE 79 HA ILE 79 -1.996 -7.623 -1.306 619 HB ILE 79 HB ILE 79 -2.351 -5.212 -2.475 620 HG12 ILE 79 HG12 ILE 79 -3.357 -7.050 -4.678 621 HG13 ILE 79 HG11 ILE 79 -4.364 -5.899 -3.799 622 HG21 ILE 79 HG21 ILE 79 -0.257 -6.204 -2.722 623 HG22 ILE 79 HG22 ILE 79 -0.821 -5.915 -4.359 624 HG23 ILE 79 HG23 ILE 79 -0.894 -7.533 -3.684 625 HD11 ILE 79 HD11 ILE 79 -3.423 -5.197 -6.079 626 HD12 ILE 79 HD12 ILE 79 -1.893 -5.005 -5.231 627 HD13 ILE 79 HD13 ILE 79 -3.295 -4.058 -4.740 628 H HIS 80 HN HIS 80 -2.062 -6.358 0.494 629 HA HIS 80 HA HIS 80 -4.570 -4.984 1.184 630 HB2 HIS 80 HB2 HIS 80 -3.300 -4.387 3.378 631 HB3 HIS 80 HB1 HIS 80 -3.654 -6.083 3.131 632 HD1 HIS 80 HD1 HIS 80 -1.799 -7.700 3.226 633 HD2 HIS 80 HD2 HIS 80 -0.292 -3.793 3.017 634 HE1 HIS 80 HE1 HIS 80 0.639 -7.861 3.780 635 HE2 HIS 80 HE2 HIS 80 1.477 -5.495 3.805 636 H VAL 81 HN VAL 81 -4.936 -2.750 0.698 637 HA VAL 81 HA VAL 81 -2.527 -1.243 -0.215 638 HB VAL 81 HB VAL 81 -5.247 -0.792 -1.559 639 HG11 VAL 81 HG11 VAL 81 -3.863 -0.071 -3.498 640 HG12 VAL 81 HG12 VAL 81 -2.491 -0.014 -2.421 641 HG13 VAL 81 HG13 VAL 81 -3.898 0.990 -2.108 642 HG21 VAL 81 HG21 VAL 81 -3.301 -2.941 -2.351 643 HG22 VAL 81 HG22 VAL 81 -4.226 -2.090 -3.548 644 HG23 VAL 81 HG23 VAL 81 -5.052 -2.965 -2.287 645 H ASN 82 HN ASN 82 -2.209 0.671 1.147 646 HA ASN 82 HA ASN 82 -4.654 2.132 2.032 647 HB2 ASN 82 HB2 ASN 82 -3.338 2.470 4.302 648 HB3 ASN 82 HB1 ASN 82 -4.242 0.986 4.033 649 HD21 ASN 82 HD21 ASN 82 -3.092 -0.904 3.543 650 HD22 ASN 82 HD22 ASN 82 -1.407 -1.060 3.895 651 H TYR 83 HN TYR 83 -3.813 4.267 3.345 652 HA TYR 83 HA TYR 83 -2.433 5.783 1.276 653 HB2 TYR 83 HB2 TYR 83 -4.417 6.481 3.396 654 HB3 TYR 83 HB1 TYR 83 -3.221 7.709 3.046 655 HD1 TYR 83 HD2 TYR 83 -3.186 8.701 0.601 656 HD2 TYR 83 HD1 TYR 83 -6.403 6.255 2.078 657 HE1 TYR 83 HE2 TYR 83 -4.673 9.556 -1.151 658 HE2 TYR 83 HE1 TYR 83 -7.845 7.147 0.334 659 HH TYR 83 HH TYR 83 -8.068 8.901 -1.135 660 H SER 84 HN SER 84 -0.705 7.569 2.268 661 HA SER 84 HA SER 84 0.696 6.624 4.585 662 HB2 SER 84 HB2 SER 84 1.832 5.888 1.869 663 HB3 SER 84 HB1 SER 84 2.788 5.879 3.333 664 HG SER 84 HG SER 84 2.089 3.892 3.486 665 H LYS 85 HN LYS 85 2.195 8.304 5.337 666 HA LYS 85 HA LYS 85 2.853 10.381 3.311 667 HB2 LYS 85 HB2 LYS 85 3.124 11.077 6.273 668 HB3 LYS 85 HB1 LYS 85 2.709 12.093 4.914 669 HG2 LYS 85 HG2 LYS 85 0.468 10.336 5.216 670 HG3 LYS 85 HG1 LYS 85 0.890 10.893 6.831 671 HD2 LYS 85 HD2 LYS 85 0.147 12.597 4.409 672 HD3 LYS 85 HD1 LYS 85 -0.721 12.428 5.917 673 HE2 LYS 85 HE2 LYS 85 0.805 13.807 7.079 674 HE3 LYS 85 HE1 LYS 85 2.041 13.647 5.830 675 HZ1 LYS 85 HZ1 LYS 85 -0.553 15.039 5.487 676 HZ2 LYS 85 HZ2 LYS 85 0.685 14.930 4.337 677 HZ3 LYS 85 HZ3 LYS 85 0.936 15.793 5.771 678 H THR 86 HN THR 86 5.121 11.401 3.254 679 HA THR 86 HA THR 86 7.219 10.307 4.814 680 HB THR 86 HB THR 86 7.122 8.229 3.649 681 HG1 THR 86 HG1 THR 86 9.037 9.106 1.958 682 HG21 THR 86 HG21 THR 86 7.227 8.015 1.154 683 HG22 THR 86 HG22 THR 86 6.976 9.748 1.010 684 HG23 THR 86 HG23 THR 86 5.706 8.731 1.698 Start of MODEL 12 1 H1 GLY -2 HT1 GLY -2 -12.551 -7.150 8.127 2 H2 GLY -2 HT2 GLY -2 -12.086 -7.521 6.546 3 H3 GLY -2 HT3 GLY -2 -13.517 -6.666 6.824 4 HA2 GLY -2 HA1 GLY -2 -11.789 -5.176 6.044 5 HA3 GLY -2 HA2 GLY -2 -12.271 -4.792 7.688 6 H SER -1 HN SER -1 -9.782 -4.033 6.506 7 HA SER -1 HA SER -1 -8.016 -5.170 8.501 8 HB2 SER -1 HB2 SER -1 -7.762 -6.701 6.548 9 HB3 SER -1 HB1 SER -1 -7.243 -5.333 5.571 10 HG SER -1 HG SER -1 -5.910 -5.838 7.980 11 H HIS 0 HN HIS 0 -7.651 -3.260 5.473 12 HA HIS 0 HA HIS 0 -6.680 -0.992 7.040 13 HB2 HIS 0 HB2 HIS 0 -4.879 -2.784 5.902 14 HB3 HIS 0 HB1 HIS 0 -4.970 -1.487 4.718 15 HD1 HIS 0 HD1 HIS 0 -4.987 1.014 6.430 16 HD2 HIS 0 HD2 HIS 0 -2.685 -2.315 7.361 17 HE1 HIS 0 HE1 HIS 0 -3.134 1.858 7.899 18 HE2 HIS 0 HE2 HIS 0 -1.734 -0.164 8.430 19 H MET 1 HN MET 1 -7.978 0.600 6.352 20 HA MET 1 HA MET 1 -8.761 0.633 3.518 21 HB2 MET 1 HB2 MET 1 -10.231 1.524 6.012 22 HB3 MET 1 HB1 MET 1 -10.616 2.242 4.450 23 HG2 MET 1 HG2 MET 1 -12.173 0.543 4.762 24 HG3 MET 1 HG1 MET 1 -11.005 -0.128 3.632 25 HE1 MET 1 HE1 MET 1 -12.453 -3.009 6.005 26 HE2 MET 1 HE2 MET 1 -12.230 -2.575 4.315 27 HE3 MET 1 HE3 MET 1 -13.235 -1.568 5.358 28 H SER 2 HN SER 2 -6.249 1.694 3.936 29 HA SER 2 HA SER 2 -4.885 3.457 3.781 30 HB2 SER 2 HB2 SER 2 -6.178 3.976 1.790 31 HB3 SER 2 HB1 SER 2 -7.347 4.922 2.717 32 HG SER 2 HG SER 2 -5.996 6.546 2.640 33 H ASP 3 HN ASP 3 -3.871 4.859 5.160 34 HA ASP 3 HA ASP 3 -4.916 5.521 7.638 35 HB2 ASP 3 HB2 ASP 3 -2.509 5.405 7.063 36 HB3 ASP 3 HB1 ASP 3 -2.666 6.906 6.168 37 H ASN 4 HN ASN 4 -4.750 7.710 4.775 38 HA ASN 4 HA ASN 4 -7.086 9.110 5.775 39 HB2 ASN 4 HB2 ASN 4 -6.068 11.424 5.397 40 HB3 ASN 4 HB1 ASN 4 -5.536 10.584 6.840 41 HD21 ASN 4 HD21 ASN 4 -3.441 10.147 7.111 42 HD22 ASN 4 HD22 ASN 4 -2.203 10.621 6.005 43 H ASN 5 HN ASN 5 -6.764 11.358 3.827 44 HA ASN 5 HA ASN 5 -8.095 10.182 1.645 45 HB2 ASN 5 HB2 ASN 5 -6.790 12.917 1.889 46 HB3 ASN 5 HB1 ASN 5 -7.760 12.443 0.500 47 HD21 ASN 5 HD21 ASN 5 -7.798 13.302 3.867 48 HD22 ASN 5 HD22 ASN 5 -9.512 13.468 4.008 49 H ALA 6 HN ALA 6 -4.596 10.947 1.885 50 HA ALA 6 HA ALA 6 -2.839 9.952 0.905 51 HB1 ALA 6 HB1 ALA 6 -4.412 7.887 0.728 52 HB2 ALA 6 HB2 ALA 6 -2.906 7.944 -0.183 53 HB3 ALA 6 HB3 ALA 6 -4.439 8.295 -0.987 54 H THR 7 HN THR 7 -2.317 12.005 0.030 55 HA THR 7 HA THR 7 -2.685 12.039 -2.902 56 HB THR 7 HB THR 7 -2.994 14.193 -1.956 57 HG1 THR 7 HG1 THR 7 -0.380 14.315 -3.069 58 HG21 THR 7 HG21 THR 7 -0.275 13.927 -0.678 59 HG22 THR 7 HG22 THR 7 -1.828 14.109 0.141 60 HG23 THR 7 HG23 THR 7 -1.166 15.439 -0.800 61 H ASP 8 HN ASP 8 -1.076 11.287 -4.255 62 HA ASP 8 HA ASP 8 0.770 10.677 -5.265 63 HB2 ASP 8 HB2 ASP 8 2.425 12.364 -5.298 64 HB3 ASP 8 HB1 ASP 8 1.112 13.192 -4.541 65 H ILE 9 HN ILE 9 0.163 9.182 -2.516 66 HA ILE 9 HA ILE 9 2.662 7.719 -2.307 67 HB ILE 9 HB ILE 9 1.430 8.847 0.235 68 HG12 ILE 9 HG12 ILE 9 4.167 9.508 -0.866 69 HG13 ILE 9 HG11 ILE 9 2.797 10.327 -1.491 70 HG21 ILE 9 HG21 ILE 9 3.150 7.716 1.375 71 HG22 ILE 9 HG22 ILE 9 4.033 7.368 -0.103 72 HG23 ILE 9 HG23 ILE 9 2.506 6.557 0.236 73 HD11 ILE 9 HD11 ILE 9 3.965 11.632 0.186 74 HD12 ILE 9 HD12 ILE 9 3.623 10.416 1.405 75 HD13 ILE 9 HD13 ILE 9 2.301 11.313 0.654 76 H LEU 10 HN LEU 10 2.307 5.594 -2.525 77 HA LEU 10 HA LEU 10 -0.339 4.541 -1.683 78 HB2 LEU 10 HB2 LEU 10 0.914 4.638 -4.404 79 HB3 LEU 10 HB1 LEU 10 -0.005 3.210 -3.996 80 HG LEU 10 HG LEU 10 -0.993 5.300 -5.378 81 HD11 LEU 10 HD11 LEU 10 -2.519 3.476 -3.639 82 HD12 LEU 10 HD12 LEU 10 -1.970 3.229 -5.306 83 HD13 LEU 10 HD13 LEU 10 -3.174 4.457 -4.949 84 HD21 LEU 10 HD21 LEU 10 -2.211 5.926 -2.648 85 HD22 LEU 10 HD22 LEU 10 -2.539 6.708 -4.163 86 HD23 LEU 10 HD23 LEU 10 -0.998 6.954 -3.407 87 H PHE 11 HN PHE 11 0.809 3.182 0.136 88 HA PHE 11 HA PHE 11 2.839 1.332 -0.612 89 HB2 PHE 11 HB2 PHE 11 3.043 2.264 1.560 90 HB3 PHE 11 HB1 PHE 11 1.359 2.100 1.915 91 HD1 PHE 11 HD1 PHE 11 0.559 -0.462 2.407 92 HD2 PHE 11 HD2 PHE 11 4.576 1.041 2.676 93 HE1 PHE 11 HE1 PHE 11 1.096 -2.123 4.134 94 HE2 PHE 11 HE2 PHE 11 5.088 -0.637 4.351 95 HZ PHE 11 HZ PHE 11 3.367 -2.237 5.079 96 H VAL 12 HN VAL 12 2.371 -0.450 -1.938 97 HA VAL 12 HA VAL 12 0.145 -2.209 -1.116 98 HB VAL 12 HB VAL 12 1.032 -3.359 -3.487 99 HG11 VAL 12 HG11 VAL 12 -1.276 -3.355 -3.126 100 HG12 VAL 12 HG12 VAL 12 -0.995 -2.481 -4.623 101 HG13 VAL 12 HG13 VAL 12 -1.362 -1.595 -3.150 102 HG21 VAL 12 HG21 VAL 12 2.304 -1.493 -4.281 103 HG22 VAL 12 HG22 VAL 12 0.905 -0.425 -4.121 104 HG23 VAL 12 HG23 VAL 12 0.881 -1.733 -5.285 105 H GLY 13 HN GLY 13 0.780 -4.297 -0.214 106 HA2 GLY 13 HA2 GLY 13 3.343 -5.465 -0.940 107 HA3 GLY 13 HA1 GLY 13 3.142 -5.026 0.760 108 H GLY 14 HN GLY 14 3.487 -7.666 0.444 109 HA2 GLY 14 HA2 GLY 14 2.381 -9.640 0.957 110 HA3 GLY 14 HA1 GLY 14 0.886 -8.779 0.978 111 H ILE 15 HN ILE 15 3.374 -9.444 -1.498 112 HA ILE 15 HA ILE 15 1.159 -10.055 -3.324 113 HB ILE 15 HB ILE 15 3.786 -9.183 -4.516 114 HG12 ILE 15 HG12 ILE 15 1.822 -7.040 -4.222 115 HG13 ILE 15 HG11 ILE 15 2.541 -7.475 -2.691 116 HG21 ILE 15 HG21 ILE 15 1.812 -9.996 -5.855 117 HG22 ILE 15 HG22 ILE 15 2.315 -8.363 -6.267 118 HG23 ILE 15 HG23 ILE 15 0.904 -8.607 -5.241 119 HD11 ILE 15 HD11 ILE 15 4.490 -7.081 -4.792 120 HD12 ILE 15 HD12 ILE 15 4.399 -6.414 -3.181 121 HD13 ILE 15 HD13 ILE 15 3.494 -5.669 -4.481 122 H ASP 16 HN ASP 16 1.870 -11.630 -5.173 123 HA ASP 16 HA ASP 16 2.765 -14.030 -3.814 124 HB2 ASP 16 HB2 ASP 16 0.940 -14.555 -5.033 125 HB3 ASP 16 HB1 ASP 16 1.192 -13.361 -6.263 126 H GLU 17 HN GLU 17 4.489 -15.469 -4.732 127 HA GLU 17 HA GLU 17 6.751 -13.716 -4.858 128 HB2 GLU 17 HB2 GLU 17 8.153 -15.809 -4.496 129 HB3 GLU 17 HB1 GLU 17 6.925 -15.537 -3.267 130 HG2 GLU 17 HG2 GLU 17 5.487 -17.210 -4.482 131 HG3 GLU 17 HG1 GLU 17 6.889 -17.563 -5.494 132 H THR 18 HN THR 18 5.144 -14.719 -7.638 133 HA THR 18 HA THR 18 7.758 -14.742 -9.000 134 HB THR 18 HB THR 18 6.432 -16.736 -9.726 135 HG1 THR 18 HG1 THR 18 7.548 -16.590 -11.460 136 HG21 THR 18 HG21 THR 18 4.655 -14.773 -11.219 137 HG22 THR 18 HG22 THR 18 4.122 -15.894 -9.962 138 HG23 THR 18 HG23 THR 18 4.732 -16.507 -11.489 139 H ILE 19 HN ILE 19 6.111 -12.313 -8.001 140 HA ILE 19 HA ILE 19 6.410 -10.763 -10.465 141 HB ILE 19 HB ILE 19 5.293 -8.830 -9.553 142 HG12 ILE 19 HG12 ILE 19 5.646 -8.220 -7.344 143 HG13 ILE 19 HG11 ILE 19 4.119 -9.060 -7.099 144 HG21 ILE 19 HG21 ILE 19 3.592 -10.246 -10.299 145 HG22 ILE 19 HG22 ILE 19 3.043 -9.656 -8.739 146 HG23 ILE 19 HG23 ILE 19 3.694 -11.280 -8.883 147 HD11 ILE 19 HD11 ILE 19 5.300 -11.013 -6.316 148 HD12 ILE 19 HD12 ILE 19 5.734 -9.577 -5.390 149 HD13 ILE 19 HD13 ILE 19 6.851 -10.209 -6.600 150 H ASP 20 HN ASP 20 7.690 -8.787 -10.401 151 HA ASP 20 HA ASP 20 9.881 -8.711 -8.459 152 HB2 ASP 20 HB2 ASP 20 10.451 -10.205 -10.470 153 HB3 ASP 20 HB1 ASP 20 10.448 -8.760 -11.457 154 H GLU 21 HN GLU 21 11.464 -6.722 -9.513 155 HA GLU 21 HA GLU 21 10.244 -4.287 -9.043 156 HB2 GLU 21 HB2 GLU 21 12.808 -4.938 -9.575 157 HB3 GLU 21 HB1 GLU 21 12.377 -4.276 -11.127 158 HG2 GLU 21 HG2 GLU 21 11.722 -2.535 -8.869 159 HG3 GLU 21 HG1 GLU 21 13.429 -2.845 -9.107 160 H LYS 22 HN LYS 22 10.810 -5.450 -12.399 161 HA LYS 22 HA LYS 22 9.605 -3.182 -13.519 162 HB2 LYS 22 HB2 LYS 22 9.899 -4.037 -15.694 163 HB3 LYS 22 HB1 LYS 22 11.323 -4.398 -14.752 164 HG2 LYS 22 HG2 LYS 22 9.142 -6.384 -15.479 165 HG3 LYS 22 HG1 LYS 22 10.640 -6.155 -16.359 166 HD2 LYS 22 HD2 LYS 22 10.446 -7.153 -13.495 167 HD3 LYS 22 HD1 LYS 22 10.701 -8.134 -14.925 168 HE2 LYS 22 HE2 LYS 22 12.592 -5.985 -13.958 169 HE3 LYS 22 HE1 LYS 22 12.806 -7.717 -13.723 170 HZ1 LYS 22 HZ1 LYS 22 14.083 -6.822 -15.596 171 HZ2 LYS 22 HZ2 LYS 22 12.643 -6.377 -16.365 172 HZ3 LYS 22 HZ3 LYS 22 12.978 -8.009 -16.074 173 H SER 23 HN SER 23 8.169 -6.228 -12.763 174 HA SER 23 HA SER 23 5.803 -6.034 -14.222 175 HB2 SER 23 HB2 SER 23 5.205 -7.656 -12.017 176 HB3 SER 23 HB1 SER 23 5.872 -8.157 -13.575 177 HG SER 23 HG SER 23 7.387 -7.314 -11.323 178 H LEU 24 HN LEU 24 6.500 -4.685 -10.945 179 HA LEU 24 HA LEU 24 3.695 -3.926 -10.680 180 HB2 LEU 24 HB2 LEU 24 5.939 -3.495 -8.722 181 HB3 LEU 24 HB1 LEU 24 4.307 -2.957 -8.482 182 HG LEU 24 HG LEU 24 5.007 -5.850 -8.986 183 HD11 LEU 24 HD11 LEU 24 6.271 -5.207 -7.028 184 HD12 LEU 24 HD12 LEU 24 4.884 -6.182 -6.554 185 HD13 LEU 24 HD13 LEU 24 4.844 -4.442 -6.331 186 HD21 LEU 24 HD21 LEU 24 2.626 -5.434 -9.241 187 HD22 LEU 24 HD22 LEU 24 2.576 -4.581 -7.710 188 HD23 LEU 24 HD23 LEU 24 2.895 -6.292 -7.735 189 H TYR 25 HN TYR 25 6.552 -2.400 -11.949 190 HA TYR 25 HA TYR 25 5.567 0.226 -12.250 191 HB2 TYR 25 HB2 TYR 25 7.917 -0.574 -13.035 192 HB3 TYR 25 HB1 TYR 25 7.164 -1.253 -14.454 193 HD1 TYR 25 HD2 TYR 25 5.469 1.079 -15.448 194 HD2 TYR 25 HD1 TYR 25 9.403 0.962 -13.726 195 HE1 TYR 25 HE2 TYR 25 6.038 3.173 -16.554 196 HE2 TYR 25 HE1 TYR 25 9.945 3.049 -14.876 197 HH TYR 25 HH TYR 25 7.589 5.006 -16.358 198 H ASP 26 HN ASP 26 5.343 -2.417 -14.772 199 HA ASP 26 HA ASP 26 3.662 -0.991 -16.477 200 HB2 ASP 26 HB2 ASP 26 5.087 -3.469 -16.612 201 HB3 ASP 26 HB1 ASP 26 3.482 -3.660 -17.310 202 H ILE 27 HN ILE 27 2.519 -3.427 -14.063 203 HA ILE 27 HA ILE 27 -0.046 -3.485 -15.288 204 HB ILE 27 HB ILE 27 0.456 -4.453 -12.400 205 HG12 ILE 27 HG12 ILE 27 0.168 -6.460 -14.611 206 HG13 ILE 27 HG11 ILE 27 1.705 -5.636 -14.640 207 HG21 ILE 27 HG21 ILE 27 -1.676 -5.155 -14.416 208 HG22 ILE 27 HG22 ILE 27 -1.885 -4.073 -13.057 209 HG23 ILE 27 HG23 ILE 27 -1.569 -5.762 -12.771 210 HD11 ILE 27 HD11 ILE 27 2.360 -6.616 -12.588 211 HD12 ILE 27 HD12 ILE 27 1.599 -7.896 -13.510 212 HD13 ILE 27 HD13 ILE 27 0.729 -7.135 -12.191 213 H PHE 28 HN PHE 28 1.181 -1.436 -12.501 214 HA PHE 28 HA PHE 28 -1.315 -0.049 -12.406 215 HB2 PHE 28 HB2 PHE 28 1.333 0.237 -11.083 216 HB3 PHE 28 HB1 PHE 28 0.124 1.500 -10.942 217 HD1 PHE 28 HD2 PHE 28 0.338 -2.210 -10.482 218 HD2 PHE 28 HD1 PHE 28 -1.095 1.550 -9.085 219 HE1 PHE 28 HE2 PHE 28 -0.627 -3.313 -8.523 220 HE2 PHE 28 HE1 PHE 28 -2.047 0.472 -7.093 221 HZ PHE 28 HZ PHE 28 -1.826 -1.983 -6.812 222 H SER 29 HN SER 29 1.200 0.234 -14.793 223 HA SER 29 HA SER 29 1.148 3.143 -14.799 224 HB2 SER 29 HB2 SER 29 2.544 3.004 -16.913 225 HB3 SER 29 HB1 SER 29 3.360 2.438 -15.452 226 HG SER 29 HG SER 29 2.552 1.073 -17.726 227 H SER 30 HN SER 30 -0.968 0.864 -15.864 228 HA SER 30 HA SER 30 -1.652 1.723 -18.474 229 HB2 SER 30 HB2 SER 30 -3.857 0.516 -17.976 230 HB3 SER 30 HB1 SER 30 -2.396 -0.463 -17.814 231 HG SER 30 HG SER 30 -2.847 -0.716 -15.772 232 H PHE 31 HN PHE 31 -3.083 2.682 -15.264 233 HA PHE 31 HA PHE 31 -4.398 4.903 -16.584 234 HB2 PHE 31 HB2 PHE 31 -4.548 3.592 -13.983 235 HB3 PHE 31 HB1 PHE 31 -4.590 5.344 -13.863 236 HD1 PHE 31 HD1 PHE 31 -6.091 2.838 -16.235 237 HD2 PHE 31 HD2 PHE 31 -6.712 6.117 -13.584 238 HE1 PHE 31 HE1 PHE 31 -8.498 2.817 -16.769 239 HE2 PHE 31 HE2 PHE 31 -9.112 6.097 -14.119 240 HZ PHE 31 HZ PHE 31 -10.008 4.448 -15.708 241 H GLY 32 HN GLY 32 -1.584 4.475 -14.442 242 HA2 GLY 32 HA2 GLY 32 -0.844 7.308 -14.832 243 HA3 GLY 32 HA1 GLY 32 -0.930 6.574 -13.262 244 H ASP 33 HN ASP 33 1.191 7.302 -15.703 245 HA ASP 33 HA ASP 33 3.217 5.393 -15.280 246 HB2 ASP 33 HB2 ASP 33 3.602 8.261 -16.158 247 HB3 ASP 33 HB1 ASP 33 4.875 7.065 -16.095 248 H ILE 34 HN ILE 34 5.550 6.073 -14.223 249 HA ILE 34 HA ILE 34 4.708 6.291 -11.386 250 HB ILE 34 HB ILE 34 6.285 4.081 -12.743 251 HG12 ILE 34 HG12 ILE 34 3.996 3.369 -12.686 252 HG13 ILE 34 HG11 ILE 34 4.757 2.537 -11.366 253 HG21 ILE 34 HG21 ILE 34 6.850 2.994 -10.682 254 HG22 ILE 34 HG22 ILE 34 6.351 4.423 -9.800 255 HG23 ILE 34 HG23 ILE 34 7.679 4.511 -10.945 256 HD11 ILE 34 HD11 ILE 34 2.483 4.171 -11.305 257 HD12 ILE 34 HD12 ILE 34 3.684 4.936 -10.297 258 HD13 ILE 34 HD13 ILE 34 3.244 3.278 -9.993 259 H ARG 35 HN ARG 35 6.265 7.280 -9.765 260 HA ARG 35 HA ARG 35 8.590 8.692 -10.768 261 HB2 ARG 35 HB2 ARG 35 6.954 8.993 -8.360 262 HB3 ARG 35 HB1 ARG 35 8.664 8.885 -7.889 263 HG2 ARG 35 HG2 ARG 35 9.091 10.950 -8.548 264 HG3 ARG 35 HG1 ARG 35 8.222 10.828 -10.054 265 HD2 ARG 35 HD2 ARG 35 7.096 12.519 -8.875 266 HD3 ARG 35 HD1 ARG 35 6.075 11.116 -8.583 267 HE ARG 35 HE ARG 35 8.032 11.553 -6.545 268 HH11 ARG 35 HH12 ARG 35 4.813 12.446 -7.693 269 HH12 ARG 35 HH11 ARG 35 4.266 12.955 -6.133 270 HH21 ARG 35 HH21 ARG 35 7.294 12.361 -4.505 271 HH22 ARG 35 HH22 ARG 35 5.658 12.911 -4.326 272 H ASN 36 HN ASN 36 8.398 5.763 -8.561 273 HA ASN 36 HA ASN 36 11.107 5.076 -8.611 274 HB2 ASN 36 HB2 ASN 36 11.355 7.351 -7.508 275 HB3 ASN 36 HB1 ASN 36 10.432 6.726 -6.137 276 HD21 ASN 36 HD21 ASN 36 12.072 6.834 -4.536 277 HD22 ASN 36 HD22 ASN 36 13.502 5.867 -4.655 278 H ILE 37 HN ILE 37 11.451 3.237 -6.595 279 HA ILE 37 HA ILE 37 8.933 2.268 -5.585 280 HB ILE 37 HB ILE 37 9.770 1.383 -8.264 281 HG12 ILE 37 HG12 ILE 37 7.255 0.490 -6.938 282 HG13 ILE 37 HG11 ILE 37 7.500 2.182 -7.361 283 HG21 ILE 37 HG21 ILE 37 9.316 -0.953 -8.236 284 HG22 ILE 37 HG22 ILE 37 9.149 -0.966 -6.475 285 HG23 ILE 37 HG23 ILE 37 10.712 -0.616 -7.211 286 HD11 ILE 37 HD11 ILE 37 7.860 1.610 -9.626 287 HD12 ILE 37 HD12 ILE 37 6.375 0.837 -9.101 288 HD13 ILE 37 HD13 ILE 37 7.857 -0.094 -9.232 289 H GLU 38 HN GLU 38 9.321 1.252 -3.734 290 HA GLU 38 HA GLU 38 12.007 0.067 -3.319 291 HB2 GLU 38 HB2 GLU 38 11.085 2.176 -1.836 292 HB3 GLU 38 HB1 GLU 38 10.354 0.903 -0.903 293 HG2 GLU 38 HG2 GLU 38 12.386 0.108 -0.133 294 HG3 GLU 38 HG1 GLU 38 13.283 0.916 -1.405 295 H VAL 39 HN VAL 39 11.602 -2.105 -3.902 296 HA VAL 39 HA VAL 39 10.040 -3.446 -1.847 297 HB VAL 39 HB VAL 39 8.440 -3.631 -3.618 298 HG11 VAL 39 HG11 VAL 39 9.647 -3.144 -5.596 299 HG12 VAL 39 HG12 VAL 39 8.923 -4.740 -5.785 300 HG13 VAL 39 HG13 VAL 39 10.641 -4.593 -5.407 301 HG21 VAL 39 HG21 VAL 39 8.263 -6.054 -4.043 302 HG22 VAL 39 HG22 VAL 39 8.666 -5.724 -2.364 303 HG23 VAL 39 HG23 VAL 39 9.915 -6.261 -3.471 304 HA PRO 40 HA PRO 40 14.110 -5.524 -1.692 305 HB2 PRO 40 HB2 PRO 40 13.512 -6.643 0.779 306 HB3 PRO 40 HB1 PRO 40 14.313 -5.076 0.573 307 HG2 PRO 40 HG2 PRO 40 11.466 -5.658 1.097 308 HG3 PRO 40 HG1 PRO 40 12.519 -4.407 1.782 309 HD2 PRO 40 HD2 PRO 40 10.808 -3.782 -0.147 310 HD3 PRO 40 HD1 PRO 40 12.403 -3.078 -0.073 311 H LEU 41 HN LEU 41 14.459 -7.685 -2.217 312 HA LEU 41 HA LEU 41 12.140 -9.495 -2.169 313 HB2 LEU 41 HB2 LEU 41 13.094 -8.297 -4.667 314 HB3 LEU 41 HB1 LEU 41 13.426 -10.008 -4.722 315 HG LEU 41 HG LEU 41 11.302 -10.383 -5.417 316 HD11 LEU 41 HD11 LEU 41 10.329 -10.498 -3.170 317 HD12 LEU 41 HD12 LEU 41 9.229 -9.777 -4.319 318 HD13 LEU 41 HD13 LEU 41 10.085 -8.751 -3.180 319 HD21 LEU 41 HD21 LEU 41 9.855 -8.488 -6.053 320 HD22 LEU 41 HD22 LEU 41 11.507 -8.351 -6.651 321 HD23 LEU 41 HD23 LEU 41 10.983 -7.399 -5.254 322 H ASN 42 HN ASN 42 13.036 -11.780 -1.796 323 HA ASN 42 HA ASN 42 15.760 -11.386 -0.769 324 HB2 ASN 42 HB2 ASN 42 14.142 -11.911 0.997 325 HB3 ASN 42 HB1 ASN 42 13.532 -13.312 0.128 326 HD21 ASN 42 HD21 ASN 42 14.536 -12.965 2.835 327 HD22 ASN 42 HD22 ASN 42 15.832 -14.091 3.028 328 H MET 43 HN MET 43 17.553 -12.670 -1.706 329 HA MET 43 HA MET 43 16.841 -13.873 -4.208 330 HB2 MET 43 HB2 MET 43 19.549 -13.606 -2.832 331 HB3 MET 43 HB1 MET 43 19.392 -14.581 -4.276 332 HG2 MET 43 HG2 MET 43 18.456 -12.349 -5.366 333 HG3 MET 43 HG1 MET 43 19.244 -11.577 -3.969 334 HE1 MET 43 HE1 MET 43 21.792 -13.297 -3.418 335 HE2 MET 43 HE2 MET 43 21.857 -11.541 -3.550 336 HE3 MET 43 HE3 MET 43 22.990 -12.540 -4.463 337 H THR 44 HN THR 44 16.477 -15.472 -1.293 338 HA THR 44 HA THR 44 17.308 -18.013 -2.435 339 HB THR 44 HB THR 44 16.270 -17.491 0.410 340 HG1 THR 44 HG1 THR 44 18.330 -16.642 -0.014 341 HG21 THR 44 HG21 THR 44 15.816 -19.878 -0.303 342 HG22 THR 44 HG22 THR 44 16.942 -19.701 1.036 343 HG23 THR 44 HG23 THR 44 17.553 -20.065 -0.572 344 H THR 45 HN THR 45 14.122 -16.649 -1.251 345 HA THR 45 HA THR 45 12.952 -18.417 -3.239 346 HB THR 45 HB THR 45 12.298 -19.714 -1.563 347 HG1 THR 45 HG1 THR 45 10.292 -18.528 -2.508 348 HG21 THR 45 HG21 THR 45 12.087 -17.412 0.373 349 HG22 THR 45 HG22 THR 45 13.111 -18.851 0.439 350 HG23 THR 45 HG23 THR 45 11.383 -18.982 0.695 351 H LYS 46 HN LYS 46 13.518 -15.378 -3.184 352 HA LYS 46 HA LYS 46 12.726 -13.413 -3.995 353 HB2 LYS 46 HB2 LYS 46 12.251 -14.969 -5.893 354 HB3 LYS 46 HB1 LYS 46 10.634 -15.226 -5.296 355 HG2 LYS 46 HG2 LYS 46 10.475 -13.798 -7.153 356 HG3 LYS 46 HG1 LYS 46 10.169 -12.770 -5.759 357 HD2 LYS 46 HD2 LYS 46 11.538 -11.516 -7.198 358 HD3 LYS 46 HD1 LYS 46 12.642 -12.101 -5.962 359 HE2 LYS 46 HE2 LYS 46 13.411 -13.853 -7.464 360 HE3 LYS 46 HE1 LYS 46 12.232 -13.342 -8.676 361 HZ1 LYS 46 HZ1 LYS 46 14.530 -11.753 -7.675 362 HZ2 LYS 46 HZ2 LYS 46 13.336 -11.157 -8.712 363 HZ3 LYS 46 HZ3 LYS 46 14.354 -12.409 -9.226 364 H LYS 47 HN LYS 47 12.018 -13.300 -1.389 365 HA LYS 47 HA LYS 47 9.074 -13.132 -1.213 366 HB2 LYS 47 HB2 LYS 47 11.084 -13.909 0.941 367 HB3 LYS 47 HB1 LYS 47 9.368 -13.737 1.235 368 HG2 LYS 47 HG2 LYS 47 10.810 -15.917 -0.292 369 HG3 LYS 47 HG1 LYS 47 9.673 -16.048 1.049 370 HD2 LYS 47 HD2 LYS 47 8.824 -15.069 -1.714 371 HD3 LYS 47 HD1 LYS 47 8.792 -16.761 -1.242 372 HE2 LYS 47 HE2 LYS 47 7.349 -14.662 0.352 373 HE3 LYS 47 HE1 LYS 47 6.613 -15.455 -1.041 374 HZ1 LYS 47 HZ1 LYS 47 7.678 -16.873 1.349 375 HZ2 LYS 47 HZ2 LYS 47 6.887 -17.584 0.031 376 HZ3 LYS 47 HZ3 LYS 47 6.041 -16.546 1.066 377 H ASN 48 HN ASN 48 8.094 -11.318 -0.186 378 HA ASN 48 HA ASN 48 9.841 -8.973 -0.404 379 HB2 ASN 48 HB2 ASN 48 7.703 -7.665 -0.416 380 HB3 ASN 48 HB1 ASN 48 7.869 -8.760 -1.786 381 HD21 ASN 48 HD21 ASN 48 6.574 -10.657 -1.848 382 HD22 ASN 48 HD22 ASN 48 5.199 -10.860 -0.817 383 H ARG 49 HN ARG 49 8.833 -10.926 2.083 384 HA ARG 49 HA ARG 49 8.125 -10.748 4.214 385 HB2 ARG 49 HB2 ARG 49 9.692 -9.068 5.605 386 HB3 ARG 49 HB1 ARG 49 10.240 -10.632 5.062 387 HG2 ARG 49 HG2 ARG 49 11.219 -9.388 3.028 388 HG3 ARG 49 HG1 ARG 49 10.960 -7.907 3.974 389 HD2 ARG 49 HD2 ARG 49 12.467 -8.742 5.704 390 HD3 ARG 49 HD1 ARG 49 12.631 -10.279 4.874 391 HE ARG 49 HE ARG 49 13.386 -8.400 3.035 392 HH11 ARG 49 HH12 ARG 49 14.479 -9.324 6.244 393 HH12 ARG 49 HH11 ARG 49 16.128 -8.901 5.942 394 HH21 ARG 49 HH21 ARG 49 15.591 -7.964 2.604 395 HH22 ARG 49 HH22 ARG 49 16.757 -8.127 3.865 396 H GLY 50 HN GLY 50 6.061 -9.671 3.243 397 HA2 GLY 50 HA2 GLY 50 4.195 -8.729 4.110 398 HA3 GLY 50 HA1 GLY 50 5.147 -8.150 5.447 399 H PHE 51 HN PHE 51 6.220 -6.752 2.368 400 HA PHE 51 HA PHE 51 4.546 -4.469 2.653 401 HB2 PHE 51 HB2 PHE 51 5.628 -3.051 4.167 402 HB3 PHE 51 HB1 PHE 51 5.866 -4.618 4.875 403 HD1 PHE 51 HD2 PHE 51 8.141 -5.632 4.989 404 HD2 PHE 51 HD1 PHE 51 7.509 -1.633 3.572 405 HE1 PHE 51 HE2 PHE 51 10.518 -5.153 5.237 406 HE2 PHE 51 HE1 PHE 51 9.878 -1.164 3.878 407 HZ PHE 51 HZ PHE 51 11.395 -2.926 4.676 408 H ALA 52 HN ALA 52 4.725 -3.243 0.548 409 HA ALA 52 HA ALA 52 7.480 -2.702 -0.412 410 HB1 ALA 52 HB1 ALA 52 6.547 -2.828 -2.777 411 HB2 ALA 52 HB2 ALA 52 5.132 -3.613 -2.107 412 HB3 ALA 52 HB3 ALA 52 6.703 -4.367 -1.961 413 H PHE 53 HN PHE 53 7.757 -0.510 -1.208 414 HA PHE 53 HA PHE 53 5.573 1.380 -0.801 415 HB2 PHE 53 HB2 PHE 53 8.548 1.715 -1.181 416 HB3 PHE 53 HB1 PHE 53 7.470 3.092 -1.241 417 HD1 PHE 53 HD1 PHE 53 8.331 0.244 1.104 418 HD2 PHE 53 HD2 PHE 53 7.256 4.354 0.735 419 HE1 PHE 53 HE1 PHE 53 8.552 0.514 3.501 420 HE2 PHE 53 HE2 PHE 53 7.471 4.583 3.157 421 HZ PHE 53 HZ PHE 53 8.110 2.677 4.537 422 H VAL 54 HN VAL 54 4.736 2.879 -2.595 423 HA VAL 54 HA VAL 54 5.826 2.492 -5.282 424 HB VAL 54 HB VAL 54 2.876 1.780 -4.782 425 HG11 VAL 54 HG11 VAL 54 2.528 1.528 -7.245 426 HG12 VAL 54 HG12 VAL 54 3.914 2.578 -7.494 427 HG13 VAL 54 HG13 VAL 54 2.505 3.168 -6.634 428 HG21 VAL 54 HG21 VAL 54 5.013 0.252 -6.166 429 HG22 VAL 54 HG22 VAL 54 3.310 -0.091 -6.299 430 HG23 VAL 54 HG23 VAL 54 4.091 -0.180 -4.741 431 H GLU 55 HN GLU 55 6.332 4.847 -5.679 432 HA GLU 55 HA GLU 55 4.273 6.783 -5.018 433 HB2 GLU 55 HB2 GLU 55 7.108 6.738 -5.417 434 HB3 GLU 55 HB1 GLU 55 6.428 8.014 -6.404 435 HG2 GLU 55 HG2 GLU 55 7.295 8.705 -4.216 436 HG3 GLU 55 HG1 GLU 55 5.654 9.139 -4.487 437 H TYR 56 HN TYR 56 3.060 8.115 -6.540 438 HA TYR 56 HA TYR 56 2.961 7.105 -9.316 439 HB2 TYR 56 HB2 TYR 56 0.911 7.971 -7.507 440 HB3 TYR 56 HB1 TYR 56 0.944 9.149 -8.808 441 HD1 TYR 56 HD2 TYR 56 0.945 5.345 -8.574 442 HD2 TYR 56 HD1 TYR 56 -0.600 8.858 -10.448 443 HE1 TYR 56 HE2 TYR 56 -0.651 3.985 -9.766 444 HE2 TYR 56 HE1 TYR 56 -2.173 7.510 -11.667 445 HH TYR 56 HH TYR 56 -2.455 5.196 -12.421 446 H VAL 57 HN VAL 57 2.477 8.951 -11.230 447 HA VAL 57 HA VAL 57 4.018 11.392 -10.747 448 HB VAL 57 HB VAL 57 3.048 10.178 -13.355 449 HG11 VAL 57 HG11 VAL 57 3.443 13.147 -13.084 450 HG12 VAL 57 HG12 VAL 57 2.305 12.249 -14.097 451 HG13 VAL 57 HG13 VAL 57 4.002 12.313 -14.519 452 HG21 VAL 57 HG21 VAL 57 5.244 10.626 -14.178 453 HG22 VAL 57 HG22 VAL 57 5.392 9.846 -12.628 454 HG23 VAL 57 HG23 VAL 57 5.641 11.576 -12.774 455 H GLU 58 HN GLU 58 0.527 10.651 -10.972 456 HA GLU 58 HA GLU 58 0.057 13.518 -11.226 457 HB2 GLU 58 HB2 GLU 58 -2.221 12.625 -12.329 458 HB3 GLU 58 HB1 GLU 58 -0.849 12.999 -13.277 459 HG2 GLU 58 HG2 GLU 58 -1.347 10.192 -12.334 460 HG3 GLU 58 HG1 GLU 58 -2.148 10.849 -13.751 461 H VAL 59 HN VAL 59 -1.244 14.505 -9.500 462 HA VAL 59 HA VAL 59 -1.845 12.692 -7.407 463 HB VAL 59 HB VAL 59 -1.472 14.282 -6.034 464 HG11 VAL 59 HG11 VAL 59 -1.085 16.297 -8.179 465 HG12 VAL 59 HG12 VAL 59 0.123 15.161 -7.563 466 HG13 VAL 59 HG13 VAL 59 -0.532 16.398 -6.516 467 HG21 VAL 59 HG21 VAL 59 -2.590 16.380 -5.600 468 HG22 VAL 59 HG22 VAL 59 -3.751 15.084 -5.797 469 HG23 VAL 59 HG23 VAL 59 -3.478 16.240 -7.098 470 H ASP 60 HN ASP 60 -4.198 14.166 -9.673 471 HA ASP 60 HA ASP 60 -6.504 13.386 -8.085 472 HB2 ASP 60 HB2 ASP 60 -6.746 15.083 -9.863 473 HB3 ASP 60 HB1 ASP 60 -6.430 13.855 -11.089 474 H ASP 61 HN ASP 61 -5.380 11.852 -11.117 475 HA ASP 61 HA ASP 61 -6.529 9.430 -11.101 476 HB2 ASP 61 HB2 ASP 61 -3.613 9.798 -11.938 477 HB3 ASP 61 HB1 ASP 61 -4.671 8.467 -12.412 478 H ALA 62 HN ALA 62 -3.488 9.893 -9.132 479 HA ALA 62 HA ALA 62 -3.114 7.599 -7.850 480 HB1 ALA 62 HB1 ALA 62 -1.942 9.684 -7.229 481 HB2 ALA 62 HB2 ALA 62 -2.478 8.799 -5.832 482 HB3 ALA 62 HB3 ALA 62 -3.355 10.214 -6.351 483 H LYS 63 HN LYS 63 -5.386 9.917 -6.403 484 HA LYS 63 HA LYS 63 -6.671 8.317 -4.540 485 HB2 LYS 63 HB2 LYS 63 -7.777 10.733 -5.969 486 HB3 LYS 63 HB1 LYS 63 -8.836 9.725 -5.018 487 HG2 LYS 63 HG2 LYS 63 -8.224 11.346 -3.511 488 HG3 LYS 63 HG1 LYS 63 -7.163 10.013 -3.094 489 HD2 LYS 63 HD2 LYS 63 -5.424 11.410 -3.261 490 HD3 LYS 63 HD1 LYS 63 -5.763 11.640 -4.975 491 HE2 LYS 63 HE2 LYS 63 -7.095 13.186 -2.748 492 HE3 LYS 63 HE1 LYS 63 -5.712 13.752 -3.673 493 HZ1 LYS 63 HZ1 LYS 63 -7.766 14.667 -4.571 494 HZ2 LYS 63 HZ2 LYS 63 -8.395 13.114 -4.798 495 HZ3 LYS 63 HZ3 LYS 63 -7.060 13.621 -5.699 496 H HIS 64 HN HIS 64 -8.012 8.691 -7.894 497 HA HIS 64 HA HIS 64 -10.051 6.822 -7.433 498 HB2 HIS 64 HB2 HIS 64 -9.422 8.498 -9.579 499 HB3 HIS 64 HB1 HIS 64 -9.518 6.879 -10.245 500 HD1 HIS 64 HD1 HIS 64 -11.786 5.558 -9.018 501 HD2 HIS 64 HD2 HIS 64 -11.854 9.652 -9.774 502 HE1 HIS 64 HE1 HIS 64 -14.211 6.206 -9.039 503 HE2 HIS 64 HE2 HIS 64 -14.232 8.670 -9.565 504 H ALA 65 HN ALA 65 -6.699 6.137 -8.625 505 HA ALA 65 HA ALA 65 -7.243 3.430 -9.173 506 HB1 ALA 65 HB1 ALA 65 -5.168 4.152 -9.994 507 HB2 ALA 65 HB2 ALA 65 -4.820 2.928 -8.785 508 HB3 ALA 65 HB3 ALA 65 -4.584 4.628 -8.402 509 H LEU 66 HN LEU 66 -5.820 4.588 -6.011 510 HA LEU 66 HA LEU 66 -6.011 2.097 -4.866 511 HB2 LEU 66 HB2 LEU 66 -4.753 2.852 -3.240 512 HB3 LEU 66 HB1 LEU 66 -4.890 4.454 -3.846 513 HG LEU 66 HG LEU 66 -6.974 4.559 -2.135 514 HD11 LEU 66 HD11 LEU 66 -5.232 2.448 -0.859 515 HD12 LEU 66 HD12 LEU 66 -6.852 2.168 -1.502 516 HD13 LEU 66 HD13 LEU 66 -6.619 3.258 -0.147 517 HD21 LEU 66 HD21 LEU 66 -5.098 6.042 -1.837 518 HD22 LEU 66 HD22 LEU 66 -4.074 4.718 -1.329 519 HD23 LEU 66 HD23 LEU 66 -5.406 5.234 -0.306 520 H TYR 67 HN TYR 67 -8.694 4.504 -4.620 521 HA TYR 67 HA TYR 67 -10.332 2.836 -3.085 522 HB2 TYR 67 HB2 TYR 67 -10.604 5.320 -3.948 523 HB3 TYR 67 HB1 TYR 67 -11.507 4.542 -5.244 524 HD1 TYR 67 HD1 TYR 67 -13.631 3.444 -4.778 525 HD2 TYR 67 HD2 TYR 67 -11.431 5.369 -1.674 526 HE1 TYR 67 HE1 TYR 67 -15.604 3.350 -3.315 527 HE2 TYR 67 HE2 TYR 67 -13.391 5.268 -0.216 528 HH TYR 67 HH TYR 67 -16.192 3.437 -1.013 529 H ASN 68 HN ASN 68 -9.750 2.638 -6.610 530 HA ASN 68 HA ASN 68 -11.624 0.463 -6.942 531 HB2 ASN 68 HB2 ASN 68 -10.794 1.986 -8.863 532 HB3 ASN 68 HB1 ASN 68 -9.322 1.012 -8.887 533 HD21 ASN 68 HD21 ASN 68 -9.314 -0.910 -9.880 534 HD22 ASN 68 HD22 ASN 68 -10.671 -1.583 -10.692 535 H MET 69 HN MET 69 -8.842 0.244 -5.116 536 HA MET 69 HA MET 69 -7.758 -2.043 -6.628 537 HB2 MET 69 HB2 MET 69 -6.436 0.209 -5.208 538 HB3 MET 69 HB1 MET 69 -5.629 -1.333 -5.173 539 HG2 MET 69 HG2 MET 69 -6.300 0.343 -7.582 540 HG3 MET 69 HG1 MET 69 -4.724 -0.113 -6.978 541 HE1 MET 69 HE1 MET 69 -5.468 -0.307 -9.998 542 HE2 MET 69 HE2 MET 69 -4.900 -1.914 -10.444 543 HE3 MET 69 HE3 MET 69 -3.908 -0.888 -9.409 544 H ASN 70 HN ASN 70 -9.379 -1.401 -3.712 545 HA ASN 70 HA ASN 70 -8.180 -3.223 -1.912 546 HB2 ASN 70 HB2 ASN 70 -10.437 -3.351 -0.776 547 HB3 ASN 70 HB1 ASN 70 -9.798 -1.729 -0.928 548 HD21 ASN 70 HD21 ASN 70 -10.854 -0.279 -2.369 549 HD22 ASN 70 HD22 ASN 70 -12.463 -0.576 -2.923 550 H ASN 71 HN ASN 71 -10.890 -3.827 -4.167 551 HA ASN 71 HA ASN 71 -10.724 -6.654 -3.618 552 HB2 ASN 71 HB2 ASN 71 -12.810 -6.766 -5.010 553 HB3 ASN 71 HB1 ASN 71 -12.877 -5.733 -3.600 554 HD21 ASN 71 HD21 ASN 71 -11.296 -4.437 -6.576 555 HD22 ASN 71 HD22 ASN 71 -12.594 -3.350 -6.914 556 H PHE 72 HN PHE 72 -8.758 -5.071 -5.602 557 HA PHE 72 HA PHE 72 -9.075 -6.715 -7.965 558 HB2 PHE 72 HB2 PHE 72 -8.341 -4.607 -8.644 559 HB3 PHE 72 HB1 PHE 72 -7.286 -4.385 -7.264 560 HD1 PHE 72 HD2 PHE 72 -7.586 -5.989 -10.604 561 HD2 PHE 72 HD1 PHE 72 -5.015 -4.941 -7.391 562 HE1 PHE 72 HE2 PHE 72 -5.611 -6.462 -12.026 563 HE2 PHE 72 HE1 PHE 72 -3.048 -5.406 -8.791 564 HZ PHE 72 HZ PHE 72 -3.347 -6.174 -11.108 565 H GLU 73 HN GLU 73 -7.983 -8.727 -8.311 566 HA GLU 73 HA GLU 73 -6.188 -9.505 -6.157 567 HB2 GLU 73 HB2 GLU 73 -6.767 -11.776 -6.500 568 HB3 GLU 73 HB1 GLU 73 -8.266 -10.897 -6.514 569 HG2 GLU 73 HG2 GLU 73 -6.847 -11.770 -9.043 570 HG3 GLU 73 HG1 GLU 73 -8.013 -12.736 -8.208 571 H LEU 74 HN LEU 74 -4.123 -10.624 -6.601 572 HA LEU 74 HA LEU 74 -3.184 -10.429 -9.397 573 HB2 LEU 74 HB2 LEU 74 -2.009 -9.118 -7.016 574 HB3 LEU 74 HB1 LEU 74 -0.819 -10.053 -7.883 575 HG LEU 74 HG LEU 74 -2.533 -7.904 -9.186 576 HD11 LEU 74 HD11 LEU 74 0.220 -7.705 -7.980 577 HD12 LEU 74 HD12 LEU 74 -1.239 -6.885 -7.423 578 HD13 LEU 74 HD13 LEU 74 -0.534 -6.469 -8.986 579 HD21 LEU 74 HD21 LEU 74 0.089 -9.148 -10.090 580 HD22 LEU 74 HD22 LEU 74 -0.785 -7.854 -10.899 581 HD23 LEU 74 HD23 LEU 74 -1.487 -9.457 -10.818 582 H ASN 75 HN ASN 75 -3.164 -12.771 -9.948 583 HA ASN 75 HA ASN 75 -2.385 -14.944 -9.914 584 HB2 ASN 75 HB2 ASN 75 -0.098 -13.655 -8.340 585 HB3 ASN 75 HB1 ASN 75 -0.121 -15.359 -8.735 586 HD21 ASN 75 HD21 ASN 75 2.067 -14.144 -9.558 587 HD22 ASN 75 HD22 ASN 75 2.024 -13.772 -11.253 588 H GLY 76 HN GLY 76 -4.516 -14.953 -8.292 589 HA2 GLY 76 HA2 GLY 76 -5.587 -16.029 -6.597 590 HA3 GLY 76 HA1 GLY 76 -4.188 -17.063 -6.526 591 H LYS 77 HN LYS 77 -3.895 -13.696 -5.728 592 HA LYS 77 HA LYS 77 -3.837 -14.249 -2.908 593 HB2 LYS 77 HB2 LYS 77 -1.522 -14.606 -3.524 594 HB3 LYS 77 HB1 LYS 77 -1.452 -13.156 -4.487 595 HG2 LYS 77 HG2 LYS 77 -1.181 -11.765 -2.677 596 HG3 LYS 77 HG1 LYS 77 -1.812 -12.930 -1.503 597 HD2 LYS 77 HD2 LYS 77 0.528 -13.870 -3.028 598 HD3 LYS 77 HD1 LYS 77 0.857 -12.478 -2.029 599 HE2 LYS 77 HE2 LYS 77 -0.195 -15.141 -1.057 600 HE3 LYS 77 HE1 LYS 77 1.434 -14.512 -0.871 601 HZ1 LYS 77 HZ1 LYS 77 -1.011 -13.337 0.321 602 HZ2 LYS 77 HZ2 LYS 77 0.530 -12.660 0.414 603 HZ3 LYS 77 HZ3 LYS 77 0.221 -14.152 1.145 604 H ARG 78 HN ARG 78 -4.090 -12.243 -1.579 605 HA ARG 78 HA ARG 78 -5.489 -10.179 -3.143 606 HB2 ARG 78 HB2 ARG 78 -6.912 -11.250 -1.410 607 HB3 ARG 78 HB1 ARG 78 -5.745 -10.879 -0.156 608 HG2 ARG 78 HG2 ARG 78 -7.390 -9.343 0.249 609 HG3 ARG 78 HG1 ARG 78 -6.296 -8.379 -0.738 610 HD2 ARG 78 HD2 ARG 78 -8.562 -8.008 -1.464 611 HD3 ARG 78 HD1 ARG 78 -7.734 -8.924 -2.705 612 HE ARG 78 HE ARG 78 -9.167 -10.573 -0.846 613 HH11 ARG 78 HH12 ARG 78 -9.495 -8.724 -3.833 614 HH12 ARG 78 HH11 ARG 78 -10.876 -9.615 -4.370 615 HH21 ARG 78 HH22 ARG 78 -11.010 -11.702 -1.563 616 HH22 ARG 78 HH21 ARG 78 -11.732 -11.305 -3.076 617 H ILE 79 HN ILE 79 -4.521 -8.000 -3.166 618 HA ILE 79 HA ILE 79 -2.197 -7.561 -1.428 619 HB ILE 79 HB ILE 79 -2.410 -5.144 -2.613 620 HG12 ILE 79 HG12 ILE 79 -3.393 -6.942 -4.854 621 HG13 ILE 79 HG11 ILE 79 -4.416 -5.789 -3.994 622 HG21 ILE 79 HG21 ILE 79 -0.831 -5.872 -4.391 623 HG22 ILE 79 HG22 ILE 79 -1.057 -7.515 -3.833 624 HG23 ILE 79 HG23 ILE 79 -0.369 -6.303 -2.755 625 HD11 ILE 79 HD11 ILE 79 -3.408 -5.066 -6.231 626 HD12 ILE 79 HD12 ILE 79 -1.888 -4.940 -5.356 627 HD13 ILE 79 HD13 ILE 79 -3.271 -3.951 -4.875 628 H HIS 80 HN HIS 80 -2.212 -6.306 0.393 629 HA HIS 80 HA HIS 80 -4.732 -4.836 0.999 630 HB2 HIS 80 HB2 HIS 80 -2.217 -5.252 2.693 631 HB3 HIS 80 HB1 HIS 80 -3.536 -4.215 3.193 632 HD1 HIS 80 HD1 HIS 80 -2.371 -7.045 4.398 633 HD2 HIS 80 HD2 HIS 80 -6.070 -6.343 2.621 634 HE1 HIS 80 HE1 HIS 80 -3.922 -8.817 5.277 635 HE2 HIS 80 HE2 HIS 80 -6.130 -8.376 4.166 636 H VAL 81 HN VAL 81 -4.944 -2.476 0.666 637 HA VAL 81 HA VAL 81 -2.471 -1.183 -0.308 638 HB VAL 81 HB VAL 81 -5.198 -0.505 -1.552 639 HG11 VAL 81 HG11 VAL 81 -3.781 0.144 -3.526 640 HG12 VAL 81 HG12 VAL 81 -2.409 0.098 -2.451 641 HG13 VAL 81 HG13 VAL 81 -3.742 1.187 -2.121 642 HG21 VAL 81 HG21 VAL 81 -3.396 -2.757 -2.444 643 HG22 VAL 81 HG22 VAL 81 -4.351 -1.863 -3.587 644 HG23 VAL 81 HG23 VAL 81 -5.140 -2.715 -2.291 645 H ASN 82 HN ASN 82 -1.926 0.766 0.922 646 HA ASN 82 HA ASN 82 -4.118 2.462 1.941 647 HB2 ASN 82 HB2 ASN 82 -3.029 2.469 4.247 648 HB3 ASN 82 HB1 ASN 82 -3.956 1.038 3.835 649 HD21 ASN 82 HD21 ASN 82 -2.797 -0.863 3.272 650 HD22 ASN 82 HD22 ASN 82 -1.174 -1.087 3.778 651 H TYR 83 HN TYR 83 -2.991 4.363 3.401 652 HA TYR 83 HA TYR 83 -1.205 5.633 1.491 653 HB2 TYR 83 HB2 TYR 83 -2.953 7.166 2.058 654 HB3 TYR 83 HB1 TYR 83 -2.853 6.797 3.782 655 HD1 TYR 83 HD2 TYR 83 -1.105 8.556 0.965 656 HD2 TYR 83 HD1 TYR 83 -1.502 8.197 5.189 657 HE1 TYR 83 HE2 TYR 83 0.258 10.563 1.273 658 HE2 TYR 83 HE1 TYR 83 -0.134 10.201 5.477 659 HH TYR 83 HH TYR 83 0.668 12.311 2.965 660 H SER 84 HN SER 84 0.918 7.007 2.464 661 HA SER 84 HA SER 84 2.018 5.447 4.695 662 HB2 SER 84 HB2 SER 84 2.532 4.119 2.696 663 HB3 SER 84 HB1 SER 84 3.315 5.498 1.927 664 HG SER 84 HG SER 84 4.984 4.473 2.795 665 H LYS 85 HN LYS 85 4.401 6.353 5.236 666 HA LYS 85 HA LYS 85 4.129 9.308 5.139 667 HB2 LYS 85 HB2 LYS 85 6.052 8.136 7.168 668 HB3 LYS 85 HB1 LYS 85 4.941 9.477 7.333 669 HG2 LYS 85 HG2 LYS 85 3.714 6.730 7.361 670 HG3 LYS 85 HG1 LYS 85 4.622 7.260 8.759 671 HD2 LYS 85 HD2 LYS 85 2.237 7.697 9.064 672 HD3 LYS 85 HD1 LYS 85 3.174 9.180 9.103 673 HE2 LYS 85 HE2 LYS 85 1.744 8.347 6.562 674 HE3 LYS 85 HE1 LYS 85 0.869 9.102 7.886 675 HZ1 LYS 85 HZ1 LYS 85 1.625 10.678 6.179 676 HZ2 LYS 85 HZ2 LYS 85 3.236 10.317 6.571 677 HZ3 LYS 85 HZ3 LYS 85 2.226 11.037 7.723 678 H THR 86 HN THR 86 6.005 10.601 4.332 679 HA THR 86 HA THR 86 8.086 8.844 3.215 680 HB THR 86 HB THR 86 8.291 10.814 1.475 681 HG1 THR 86 HG1 THR 86 6.062 11.559 0.987 682 HG21 THR 86 HG21 THR 86 7.783 8.614 0.647 683 HG22 THR 86 HG22 THR 86 6.617 9.731 -0.062 684 HG23 THR 86 HG23 THR 86 6.131 8.684 1.268 Start of MODEL 13 1 H1 GLY -2 HT1 GLY -2 -10.757 1.360 5.184 2 H2 GLY -2 HT2 GLY -2 -10.822 3.051 5.164 3 H3 GLY -2 HT3 GLY -2 -11.488 2.196 6.458 4 HA2 GLY -2 HA1 GLY -2 -8.600 2.292 5.762 5 HA3 GLY -2 HA2 GLY -2 -9.361 3.180 7.074 6 H SER -1 HN SER -1 -7.379 0.708 6.677 7 HA SER -1 HA SER -1 -8.440 -0.759 8.976 8 HB2 SER -1 HB2 SER -1 -7.397 -2.124 6.475 9 HB3 SER -1 HB1 SER -1 -7.883 -2.941 7.959 10 HG SER -1 HG SER -1 -10.000 -1.764 7.494 11 H HIS 0 HN HIS 0 -5.630 -1.033 6.751 12 HA HIS 0 HA HIS 0 -3.805 -1.210 9.057 13 HB2 HIS 0 HB2 HIS 0 -3.896 -2.926 7.118 14 HB3 HIS 0 HB1 HIS 0 -3.148 -1.680 6.138 15 HD1 HIS 0 HD1 HIS 0 -1.584 -4.180 6.317 16 HD2 HIS 0 HD2 HIS 0 -1.207 -1.233 9.222 17 HE1 HIS 0 HE1 HIS 0 0.653 -4.577 7.388 18 HE2 HIS 0 HE2 HIS 0 0.905 -2.717 9.073 19 H MET 1 HN MET 1 -4.766 1.249 8.849 20 HA MET 1 HA MET 1 -2.775 2.835 7.402 21 HB2 MET 1 HB2 MET 1 -5.179 2.670 6.332 22 HB3 MET 1 HB1 MET 1 -5.684 3.638 7.711 23 HG2 MET 1 HG2 MET 1 -3.462 4.651 6.011 24 HG3 MET 1 HG1 MET 1 -5.113 4.741 5.428 25 HE1 MET 1 HE1 MET 1 -7.083 5.785 7.155 26 HE2 MET 1 HE2 MET 1 -6.525 6.735 5.778 27 HE3 MET 1 HE3 MET 1 -6.742 7.505 7.351 28 H SER 2 HN SER 2 -1.679 4.242 8.792 29 HA SER 2 HA SER 2 -2.482 4.652 11.472 30 HB2 SER 2 HB2 SER 2 -0.713 6.505 11.404 31 HB3 SER 2 HB1 SER 2 -0.175 4.868 10.988 32 HG SER 2 HG SER 2 0.331 6.835 9.557 33 H ASP 3 HN ASP 3 -1.942 7.811 9.875 34 HA ASP 3 HA ASP 3 -4.731 8.409 9.522 35 HB2 ASP 3 HB2 ASP 3 -4.486 8.514 12.010 36 HB3 ASP 3 HB1 ASP 3 -3.298 9.796 11.807 37 H ASN 4 HN ASN 4 -4.532 9.551 7.604 38 HA ASN 4 HA ASN 4 -3.932 12.257 7.678 39 HB2 ASN 4 HB2 ASN 4 -1.973 12.634 6.342 40 HB3 ASN 4 HB1 ASN 4 -1.491 11.590 7.668 41 HD21 ASN 4 HD21 ASN 4 -2.411 9.097 6.563 42 HD22 ASN 4 HD22 ASN 4 -1.380 8.744 5.223 43 H ASN 5 HN ASN 5 -4.111 13.304 5.464 44 HA ASN 5 HA ASN 5 -6.013 11.894 3.828 45 HB2 ASN 5 HB2 ASN 5 -5.913 13.880 2.262 46 HB3 ASN 5 HB1 ASN 5 -6.179 14.370 3.937 47 HD21 ASN 5 HD21 ASN 5 -4.564 15.508 5.004 48 HD22 ASN 5 HD22 ASN 5 -3.191 16.168 4.185 49 H ALA 6 HN ALA 6 -2.485 12.250 3.412 50 HA ALA 6 HA ALA 6 -0.997 11.342 2.025 51 HB1 ALA 6 HB1 ALA 6 -1.087 9.205 2.508 52 HB2 ALA 6 HB2 ALA 6 -2.043 8.985 1.043 53 HB3 ALA 6 HB3 ALA 6 -2.850 9.192 2.583 54 H THR 7 HN THR 7 -0.782 12.688 0.376 55 HA THR 7 HA THR 7 -2.104 12.019 -2.179 56 HB THR 7 HB THR 7 -2.427 14.320 -1.753 57 HG1 THR 7 HG1 THR 7 -0.257 14.450 -3.559 58 HG21 THR 7 HG21 THR 7 0.517 14.429 -1.180 59 HG22 THR 7 HG22 THR 7 -0.843 14.907 -0.161 60 HG23 THR 7 HG23 THR 7 -0.431 15.869 -1.571 61 H ASP 8 HN ASP 8 -0.763 11.511 -4.104 62 HA ASP 8 HA ASP 8 0.797 10.817 -5.436 63 HB2 ASP 8 HB2 ASP 8 2.315 12.513 -5.983 64 HB3 ASP 8 HB1 ASP 8 1.379 13.396 -4.813 65 H ILE 9 HN ILE 9 0.730 9.512 -2.575 66 HA ILE 9 HA ILE 9 3.185 7.972 -2.696 67 HB ILE 9 HB ILE 9 2.363 9.531 -0.195 68 HG12 ILE 9 HG12 ILE 9 4.977 9.734 -1.654 69 HG13 ILE 9 HG11 ILE 9 3.584 10.603 -2.181 70 HG21 ILE 9 HG21 ILE 9 4.791 7.767 -0.310 71 HG22 ILE 9 HG22 ILE 9 3.240 7.214 0.305 72 HG23 ILE 9 HG23 ILE 9 4.052 8.544 1.094 73 HD11 ILE 9 HD11 ILE 9 3.579 11.793 0.003 74 HD12 ILE 9 HD12 ILE 9 4.981 12.080 -1.018 75 HD13 ILE 9 HD13 ILE 9 5.120 11.002 0.355 76 H LEU 10 HN LEU 10 2.668 5.794 -2.705 77 HA LEU 10 HA LEU 10 -0.037 5.007 -1.744 78 HB2 LEU 10 HB2 LEU 10 1.201 4.867 -4.426 79 HB3 LEU 10 HB1 LEU 10 0.342 3.420 -3.925 80 HG LEU 10 HG LEU 10 -0.817 5.372 -5.365 81 HD11 LEU 10 HD11 LEU 10 -2.877 4.519 -4.788 82 HD12 LEU 10 HD12 LEU 10 -2.260 3.822 -3.289 83 HD13 LEU 10 HD13 LEU 10 -1.699 3.213 -4.862 84 HD21 LEU 10 HD21 LEU 10 -1.767 6.154 -2.554 85 HD22 LEU 10 HD22 LEU 10 -2.216 6.891 -4.064 86 HD23 LEU 10 HD23 LEU 10 -0.604 7.144 -3.434 87 H PHE 11 HN PHE 11 0.261 3.408 -0.067 88 HA PHE 11 HA PHE 11 2.376 1.514 -0.123 89 HB2 PHE 11 HB2 PHE 11 1.576 2.458 1.957 90 HB3 PHE 11 HB1 PHE 11 0.005 1.709 1.731 91 HD1 PHE 11 HD1 PHE 11 3.601 1.023 2.387 92 HD2 PHE 11 HD2 PHE 11 -0.424 -0.396 2.637 93 HE1 PHE 11 HE1 PHE 11 4.314 -0.697 3.926 94 HE2 PHE 11 HE2 PHE 11 0.311 -2.146 4.193 95 HZ PHE 11 HZ PHE 11 2.687 -2.329 4.823 96 H VAL 12 HN VAL 12 2.232 -0.736 -0.266 97 HA VAL 12 HA VAL 12 -0.113 -1.910 -1.624 98 HB VAL 12 HB VAL 12 2.712 -2.167 -2.802 99 HG11 VAL 12 HG11 VAL 12 1.801 -4.475 -2.718 100 HG12 VAL 12 HG12 VAL 12 2.068 -3.872 -4.345 101 HG13 VAL 12 HG13 VAL 12 0.432 -3.935 -3.703 102 HG21 VAL 12 HG21 VAL 12 0.976 -0.376 -3.656 103 HG22 VAL 12 HG22 VAL 12 0.293 -1.748 -4.516 104 HG23 VAL 12 HG23 VAL 12 1.958 -1.290 -4.783 105 H GLY 13 HN GLY 13 -0.250 -4.485 -1.256 106 HA2 GLY 13 HA2 GLY 13 0.629 -5.041 1.482 107 HA3 GLY 13 HA1 GLY 13 -0.550 -5.931 0.550 108 H GLY 14 HN GLY 14 0.741 -7.688 1.638 109 HA2 GLY 14 HA2 GLY 14 3.168 -8.347 0.367 110 HA3 GLY 14 HA1 GLY 14 2.235 -9.414 1.357 111 H ILE 15 HN ILE 15 3.544 -9.365 -1.533 112 HA ILE 15 HA ILE 15 1.141 -10.337 -2.900 113 HB ILE 15 HB ILE 15 3.389 -9.709 -4.717 114 HG12 ILE 15 HG12 ILE 15 1.801 -7.312 -4.023 115 HG13 ILE 15 HG11 ILE 15 2.978 -7.746 -2.811 116 HG21 ILE 15 HG21 ILE 15 1.552 -8.968 -6.106 117 HG22 ILE 15 HG22 ILE 15 0.480 -8.878 -4.711 118 HG23 ILE 15 HG23 ILE 15 1.041 -10.446 -5.296 119 HD11 ILE 15 HD11 ILE 15 4.744 -7.609 -4.502 120 HD12 ILE 15 HD12 ILE 15 3.863 -6.106 -4.290 121 HD13 ILE 15 HD13 ILE 15 3.541 -7.101 -5.690 122 H ASP 16 HN ASP 16 1.608 -12.020 -4.664 123 HA ASP 16 HA ASP 16 2.584 -14.407 -3.783 124 HB2 ASP 16 HB2 ASP 16 2.363 -15.101 -6.134 125 HB3 ASP 16 HB1 ASP 16 1.034 -14.041 -5.685 126 H GLU 17 HN GLU 17 4.506 -15.749 -4.473 127 HA GLU 17 HA GLU 17 6.904 -14.177 -4.470 128 HB2 GLU 17 HB2 GLU 17 8.121 -16.445 -4.349 129 HB3 GLU 17 HB1 GLU 17 7.008 -16.117 -3.022 130 HG2 GLU 17 HG2 GLU 17 5.297 -17.534 -4.259 131 HG3 GLU 17 HG1 GLU 17 6.597 -17.970 -5.367 132 H THR 18 HN THR 18 5.164 -14.804 -7.274 133 HA THR 18 HA THR 18 7.715 -15.031 -8.745 134 HB THR 18 HB THR 18 6.216 -16.960 -9.418 135 HG1 THR 18 HG1 THR 18 6.972 -15.118 -11.445 136 HG21 THR 18 HG21 THR 18 4.528 -14.769 -10.687 137 HG22 THR 18 HG22 THR 18 3.977 -16.054 -9.607 138 HG23 THR 18 HG23 THR 18 4.520 -16.435 -11.231 139 H ILE 19 HN ILE 19 6.255 -12.457 -7.718 140 HA ILE 19 HA ILE 19 6.185 -11.054 -10.293 141 HB ILE 19 HB ILE 19 5.595 -8.953 -8.777 142 HG12 ILE 19 HG12 ILE 19 4.214 -9.387 -6.802 143 HG13 ILE 19 HG11 ILE 19 4.388 -11.112 -7.033 144 HG21 ILE 19 HG21 ILE 19 4.124 -9.939 -10.515 145 HG22 ILE 19 HG22 ILE 19 3.263 -9.232 -9.161 146 HG23 ILE 19 HG23 ILE 19 3.408 -10.977 -9.281 147 HD11 ILE 19 HD11 ILE 19 5.754 -10.647 -5.253 148 HD12 ILE 19 HD12 ILE 19 6.372 -9.157 -5.969 149 HD13 ILE 19 HD13 ILE 19 6.878 -10.720 -6.607 150 H ASP 20 HN ASP 20 7.416 -8.949 -10.470 151 HA ASP 20 HA ASP 20 9.852 -8.930 -8.882 152 HB2 ASP 20 HB2 ASP 20 9.651 -9.337 -11.846 153 HB3 ASP 20 HB1 ASP 20 11.061 -8.567 -11.185 154 H GLU 21 HN GLU 21 11.227 -6.890 -9.539 155 HA GLU 21 HA GLU 21 9.885 -4.538 -9.056 156 HB2 GLU 21 HB2 GLU 21 12.434 -4.894 -8.993 157 HB3 GLU 21 HB1 GLU 21 12.431 -4.590 -10.708 158 HG2 GLU 21 HG2 GLU 21 11.430 -2.515 -8.788 159 HG3 GLU 21 HG1 GLU 21 13.132 -2.723 -9.153 160 H LYS 22 HN LYS 22 10.969 -5.389 -12.380 161 HA LYS 22 HA LYS 22 9.843 -3.060 -13.459 162 HB2 LYS 22 HB2 LYS 22 10.305 -5.108 -15.477 163 HB3 LYS 22 HB1 LYS 22 10.985 -3.511 -15.332 164 HG2 LYS 22 HG2 LYS 22 12.820 -4.959 -15.396 165 HG3 LYS 22 HG1 LYS 22 12.704 -4.543 -13.692 166 HD2 LYS 22 HD2 LYS 22 11.474 -6.731 -13.358 167 HD3 LYS 22 HD1 LYS 22 11.786 -7.103 -15.044 168 HE2 LYS 22 HE2 LYS 22 13.818 -6.767 -12.832 169 HE3 LYS 22 HE1 LYS 22 13.464 -8.209 -13.783 170 HZ1 LYS 22 HZ1 LYS 22 14.381 -7.160 -15.735 171 HZ2 LYS 22 HZ2 LYS 22 15.509 -7.074 -14.483 172 HZ3 LYS 22 HZ3 LYS 22 14.615 -5.702 -14.900 173 H SER 23 HN SER 23 8.514 -6.347 -13.235 174 HA SER 23 HA SER 23 6.360 -6.048 -14.958 175 HB2 SER 23 HB2 SER 23 5.984 -7.691 -12.530 176 HB3 SER 23 HB1 SER 23 5.794 -8.120 -14.213 177 HG SER 23 HG SER 23 7.832 -8.661 -12.644 178 H LEU 24 HN LEU 24 6.480 -5.424 -11.425 179 HA LEU 24 HA LEU 24 3.733 -4.631 -11.136 180 HB2 LEU 24 HB2 LEU 24 6.011 -3.958 -9.224 181 HB3 LEU 24 HB1 LEU 24 4.324 -3.695 -8.942 182 HG LEU 24 HG LEU 24 5.342 -6.445 -9.548 183 HD11 LEU 24 HD11 LEU 24 5.536 -6.892 -7.139 184 HD12 LEU 24 HD12 LEU 24 5.108 -5.229 -6.770 185 HD13 LEU 24 HD13 LEU 24 6.643 -5.580 -7.554 186 HD21 LEU 24 HD21 LEU 24 3.358 -7.212 -8.601 187 HD22 LEU 24 HD22 LEU 24 2.816 -5.781 -9.458 188 HD23 LEU 24 HD23 LEU 24 3.082 -5.725 -7.716 189 H TYR 25 HN TYR 25 6.401 -2.730 -12.320 190 HA TYR 25 HA TYR 25 5.295 -0.140 -12.214 191 HB2 TYR 25 HB2 TYR 25 7.718 -0.907 -12.858 192 HB3 TYR 25 HB1 TYR 25 7.124 -1.154 -14.478 193 HD1 TYR 25 HD1 TYR 25 6.027 1.167 -15.515 194 HD2 TYR 25 HD2 TYR 25 9.020 0.950 -12.425 195 HE1 TYR 25 HE1 TYR 25 6.844 3.384 -16.150 196 HE2 TYR 25 HE2 TYR 25 9.805 3.183 -13.071 197 HH TYR 25 HH TYR 25 8.085 5.278 -15.087 198 H ASP 26 HN ASP 26 5.293 -2.393 -15.067 199 HA ASP 26 HA ASP 26 3.603 -0.900 -16.659 200 HB2 ASP 26 HB2 ASP 26 4.804 -3.572 -16.872 201 HB3 ASP 26 HB1 ASP 26 3.347 -3.329 -17.812 202 H ILE 27 HN ILE 27 2.417 -3.422 -14.351 203 HA ILE 27 HA ILE 27 -0.164 -3.350 -15.521 204 HB ILE 27 HB ILE 27 0.339 -4.345 -12.645 205 HG12 ILE 27 HG12 ILE 27 -0.037 -6.458 -14.621 206 HG13 ILE 27 HG11 ILE 27 1.374 -5.538 -15.086 207 HG21 ILE 27 HG21 ILE 27 -1.678 -5.589 -12.964 208 HG22 ILE 27 HG22 ILE 27 -1.791 -5.083 -14.640 209 HG23 ILE 27 HG23 ILE 27 -1.998 -3.911 -13.354 210 HD11 ILE 27 HD11 ILE 27 1.945 -7.494 -13.791 211 HD12 ILE 27 HD12 ILE 27 0.967 -6.958 -12.437 212 HD13 ILE 27 HD13 ILE 27 2.400 -6.043 -12.915 213 H PHE 28 HN PHE 28 1.136 -1.386 -12.666 214 HA PHE 28 HA PHE 28 -1.359 0.017 -12.473 215 HB2 PHE 28 HB2 PHE 28 1.325 0.309 -11.213 216 HB3 PHE 28 HB1 PHE 28 0.104 1.553 -11.022 217 HD1 PHE 28 HD2 PHE 28 0.357 -2.150 -10.596 218 HD2 PHE 28 HD1 PHE 28 -1.060 1.584 -9.107 219 HE1 PHE 28 HE2 PHE 28 -0.518 -3.276 -8.620 220 HE2 PHE 28 HE1 PHE 28 -1.912 0.492 -7.095 221 HZ PHE 28 HZ PHE 28 -1.668 -1.970 -6.842 222 H SER 29 HN SER 29 1.085 0.339 -14.899 223 HA SER 29 HA SER 29 1.050 3.233 -14.848 224 HB2 SER 29 HB2 SER 29 2.414 3.003 -17.003 225 HB3 SER 29 HB1 SER 29 3.231 2.620 -15.503 226 HG SER 29 HG SER 29 2.535 1.020 -17.633 227 H SER 30 HN SER 30 -1.080 0.969 -15.938 228 HA SER 30 HA SER 30 -1.762 1.944 -18.496 229 HB2 SER 30 HB2 SER 30 -3.974 0.709 -18.029 230 HB3 SER 30 HB1 SER 30 -2.495 -0.253 -18.007 231 HG SER 30 HG SER 30 -2.719 -0.569 -15.910 232 H PHE 31 HN PHE 31 -3.151 2.808 -15.236 233 HA PHE 31 HA PHE 31 -4.423 5.095 -16.497 234 HB2 PHE 31 HB2 PHE 31 -4.521 3.870 -13.796 235 HB3 PHE 31 HB1 PHE 31 -4.787 5.611 -13.894 236 HD1 PHE 31 HD2 PHE 31 -6.079 2.297 -14.794 237 HD2 PHE 31 HD1 PHE 31 -6.788 6.496 -14.901 238 HE1 PHE 31 HE2 PHE 31 -8.437 1.880 -15.370 239 HE2 PHE 31 HE1 PHE 31 -9.146 6.084 -15.473 240 HZ PHE 31 HZ PHE 31 -9.974 3.776 -15.707 241 H GLY 32 HN GLY 32 -1.615 4.582 -14.325 242 HA2 GLY 32 HA2 GLY 32 -0.820 7.396 -14.794 243 HA3 GLY 32 HA1 GLY 32 -0.824 6.674 -13.221 244 H ASP 33 HN ASP 33 1.246 7.489 -15.612 245 HA ASP 33 HA ASP 33 3.240 5.474 -15.420 246 HB2 ASP 33 HB2 ASP 33 3.837 8.409 -15.973 247 HB3 ASP 33 HB1 ASP 33 4.892 7.041 -16.275 248 H ILE 34 HN ILE 34 5.565 5.890 -14.358 249 HA ILE 34 HA ILE 34 4.836 6.257 -11.512 250 HB ILE 34 HB ILE 34 6.298 3.915 -12.786 251 HG12 ILE 34 HG12 ILE 34 3.934 3.413 -12.797 252 HG13 ILE 34 HG11 ILE 34 4.656 2.489 -11.516 253 HG21 ILE 34 HG21 ILE 34 7.611 4.383 -10.904 254 HG22 ILE 34 HG22 ILE 34 6.724 2.910 -10.633 255 HG23 ILE 34 HG23 ILE 34 6.225 4.389 -9.851 256 HD11 ILE 34 HD11 ILE 34 2.477 4.170 -11.339 257 HD12 ILE 34 HD12 ILE 34 3.741 4.983 -10.451 258 HD13 ILE 34 HD13 ILE 34 3.310 3.342 -10.034 259 H ARG 35 HN ARG 35 6.467 7.225 -9.992 260 HA ARG 35 HA ARG 35 8.810 8.467 -11.184 261 HB2 ARG 35 HB2 ARG 35 7.185 9.106 -8.904 262 HB3 ARG 35 HB1 ARG 35 8.826 8.915 -8.298 263 HG2 ARG 35 HG2 ARG 35 9.625 10.751 -9.384 264 HG3 ARG 35 HG1 ARG 35 8.421 10.725 -10.650 265 HD2 ARG 35 HD2 ARG 35 7.332 11.171 -7.947 266 HD3 ARG 35 HD1 ARG 35 8.421 12.420 -8.516 267 HE ARG 35 HE ARG 35 5.958 11.603 -9.934 268 HH11 ARG 35 HH12 ARG 35 8.247 14.097 -8.962 269 HH12 ARG 35 HH11 ARG 35 7.375 15.376 -9.734 270 HH21 ARG 35 HH22 ARG 35 4.810 13.345 -10.958 271 HH22 ARG 35 HH21 ARG 35 5.445 14.955 -10.856 272 H ASN 36 HN ASN 36 8.611 5.643 -8.836 273 HA ASN 36 HA ASN 36 11.349 5.040 -8.917 274 HB2 ASN 36 HB2 ASN 36 11.573 7.276 -7.755 275 HB3 ASN 36 HB1 ASN 36 10.620 6.634 -6.416 276 HD21 ASN 36 HD21 ASN 36 12.235 6.691 -4.751 277 HD22 ASN 36 HD22 ASN 36 13.683 5.751 -4.854 278 H ILE 37 HN ILE 37 11.750 3.062 -7.116 279 HA ILE 37 HA ILE 37 9.137 2.049 -6.272 280 HB ILE 37 HB ILE 37 10.891 0.537 -8.255 281 HG12 ILE 37 HG12 ILE 37 8.640 2.304 -8.660 282 HG13 ILE 37 HG11 ILE 37 9.851 1.753 -9.785 283 HG21 ILE 37 HG21 ILE 37 9.100 -1.185 -8.399 284 HG22 ILE 37 HG22 ILE 37 8.472 -0.548 -6.885 285 HG23 ILE 37 HG23 ILE 37 10.097 -1.188 -6.957 286 HD11 ILE 37 HD11 ILE 37 7.344 0.273 -9.057 287 HD12 ILE 37 HD12 ILE 37 8.600 -0.291 -10.146 288 HD13 ILE 37 HD13 ILE 37 7.677 1.152 -10.534 289 H GLU 38 HN GLU 38 9.369 1.319 -4.217 290 HA GLU 38 HA GLU 38 11.929 -0.008 -3.486 291 HB2 GLU 38 HB2 GLU 38 10.534 1.961 -2.012 292 HB3 GLU 38 HB1 GLU 38 10.065 0.490 -1.189 293 HG2 GLU 38 HG2 GLU 38 12.085 0.215 -0.236 294 HG3 GLU 38 HG1 GLU 38 12.958 0.860 -1.621 295 H VAL 39 HN VAL 39 11.781 -2.185 -4.094 296 HA VAL 39 HA VAL 39 9.783 -3.789 -2.610 297 HB VAL 39 HB VAL 39 10.517 -4.341 -5.548 298 HG11 VAL 39 HG11 VAL 39 8.844 -6.078 -3.717 299 HG12 VAL 39 HG12 VAL 39 10.445 -6.465 -4.358 300 HG13 VAL 39 HG13 VAL 39 9.068 -6.320 -5.449 301 HG21 VAL 39 HG21 VAL 39 8.647 -2.849 -5.615 302 HG22 VAL 39 HG22 VAL 39 7.829 -3.735 -4.343 303 HG23 VAL 39 HG23 VAL 39 8.027 -4.464 -5.913 304 HA PRO 40 HA PRO 40 14.078 -5.479 -1.730 305 HB2 PRO 40 HB2 PRO 40 13.432 -6.394 0.762 306 HB3 PRO 40 HB1 PRO 40 13.937 -4.713 0.486 307 HG2 PRO 40 HG2 PRO 40 11.165 -5.811 0.631 308 HG3 PRO 40 HG1 PRO 40 11.878 -4.449 1.534 309 HD2 PRO 40 HD2 PRO 40 10.479 -3.889 -0.629 310 HD3 PRO 40 HD1 PRO 40 12.030 -3.111 -0.377 311 H LEU 41 HN LEU 41 14.565 -7.649 -2.236 312 HA LEU 41 HA LEU 41 12.477 -9.647 -1.803 313 HB2 LEU 41 HB2 LEU 41 12.843 -8.491 -4.446 314 HB3 LEU 41 HB1 LEU 41 13.405 -10.150 -4.491 315 HG LEU 41 HG LEU 41 11.267 -11.043 -4.169 316 HD11 LEU 41 HD11 LEU 41 10.040 -8.420 -3.277 317 HD12 LEU 41 HD12 LEU 41 10.421 -9.776 -2.211 318 HD13 LEU 41 HD13 LEU 41 9.234 -9.968 -3.492 319 HD21 LEU 41 HD21 LEU 41 10.653 -8.508 -5.649 320 HD22 LEU 41 HD22 LEU 41 9.843 -10.061 -5.796 321 HD23 LEU 41 HD23 LEU 41 11.505 -9.883 -6.349 322 H ASN 42 HN ASN 42 13.533 -11.934 -1.731 323 HA ASN 42 HA ASN 42 16.406 -11.517 -1.239 324 HB2 ASN 42 HB2 ASN 42 14.933 -12.222 0.812 325 HB3 ASN 42 HB1 ASN 42 14.834 -13.804 0.054 326 HD21 ASN 42 HD21 ASN 42 15.931 -13.100 2.567 327 HD22 ASN 42 HD22 ASN 42 17.585 -13.593 2.552 328 H MET 43 HN MET 43 17.887 -12.747 -2.492 329 HA MET 43 HA MET 43 16.742 -14.071 -4.743 330 HB2 MET 43 HB2 MET 43 19.407 -13.111 -4.070 331 HB3 MET 43 HB1 MET 43 19.536 -14.735 -4.718 332 HG2 MET 43 HG2 MET 43 17.907 -13.507 -6.588 333 HG3 MET 43 HG1 MET 43 18.991 -12.180 -6.106 334 HE1 MET 43 HE1 MET 43 21.733 -13.383 -5.445 335 HE2 MET 43 HE2 MET 43 21.498 -12.039 -6.562 336 HE3 MET 43 HE3 MET 43 22.500 -13.413 -7.032 337 H THR 44 HN THR 44 17.047 -15.568 -1.742 338 HA THR 44 HA THR 44 17.488 -18.141 -3.005 339 HB THR 44 HB THR 44 17.199 -17.615 0.012 340 HG1 THR 44 HG1 THR 44 19.316 -17.574 -1.776 341 HG21 THR 44 HG21 THR 44 16.619 -20.011 -0.739 342 HG22 THR 44 HG22 THR 44 17.912 -19.820 0.438 343 HG23 THR 44 HG23 THR 44 18.306 -20.136 -1.245 344 H THR 45 HN THR 45 14.743 -16.644 -1.036 345 HA THR 45 HA THR 45 13.059 -18.691 -2.353 346 HB THR 45 HB THR 45 11.492 -18.738 -0.611 347 HG1 THR 45 HG1 THR 45 10.864 -16.938 0.210 348 HG21 THR 45 HG21 THR 45 13.716 -18.010 1.269 349 HG22 THR 45 HG22 THR 45 13.912 -19.443 0.241 350 HG23 THR 45 HG23 THR 45 12.554 -19.330 1.348 351 H LYS 46 HN LYS 46 13.673 -15.393 -2.793 352 HA LYS 46 HA LYS 46 12.545 -13.497 -3.326 353 HB2 LYS 46 HB2 LYS 46 12.458 -14.804 -5.411 354 HB3 LYS 46 HB1 LYS 46 10.931 -15.535 -4.977 355 HG2 LYS 46 HG2 LYS 46 9.783 -13.818 -5.752 356 HG3 LYS 46 HG1 LYS 46 10.810 -12.630 -5.017 357 HD2 LYS 46 HD2 LYS 46 11.275 -12.121 -7.177 358 HD3 LYS 46 HD1 LYS 46 12.447 -13.413 -6.994 359 HE2 LYS 46 HE2 LYS 46 9.670 -13.741 -8.128 360 HE3 LYS 46 HE1 LYS 46 11.145 -13.568 -9.077 361 HZ1 LYS 46 HZ1 LYS 46 10.555 -15.867 -8.909 362 HZ2 LYS 46 HZ2 LYS 46 10.488 -15.789 -7.225 363 HZ3 LYS 46 HZ3 LYS 46 11.970 -15.612 -8.018 364 H LYS 47 HN LYS 47 11.581 -14.727 -0.821 365 HA LYS 47 HA LYS 47 8.968 -13.931 -0.249 366 HB2 LYS 47 HB2 LYS 47 9.892 -13.657 2.161 367 HB3 LYS 47 HB1 LYS 47 10.021 -15.224 1.407 368 HG2 LYS 47 HG2 LYS 47 12.027 -15.008 2.507 369 HG3 LYS 47 HG1 LYS 47 12.462 -14.581 0.866 370 HD2 LYS 47 HD2 LYS 47 13.577 -13.185 2.490 371 HD3 LYS 47 HD1 LYS 47 12.501 -12.202 1.493 372 HE2 LYS 47 HE2 LYS 47 12.349 -11.497 3.801 373 HE3 LYS 47 HE1 LYS 47 10.832 -12.271 3.364 374 HZ1 LYS 47 HZ1 LYS 47 11.605 -14.293 4.480 375 HZ2 LYS 47 HZ2 LYS 47 11.580 -12.984 5.552 376 HZ3 LYS 47 HZ3 LYS 47 13.047 -13.520 4.901 377 H ASN 48 HN ASN 48 7.943 -11.938 0.249 378 HA ASN 48 HA ASN 48 9.670 -9.558 -0.178 379 HB2 ASN 48 HB2 ASN 48 7.644 -8.195 -0.443 380 HB3 ASN 48 HB1 ASN 48 7.739 -9.473 -1.652 381 HD21 ASN 48 HD21 ASN 48 6.381 -11.279 -1.457 382 HD22 ASN 48 HD22 ASN 48 4.960 -11.240 -0.476 383 H ARG 49 HN ARG 49 8.051 -11.251 2.399 384 HA ARG 49 HA ARG 49 7.411 -10.818 4.487 385 HB2 ARG 49 HB2 ARG 49 8.915 -9.062 5.816 386 HB3 ARG 49 HB1 ARG 49 9.466 -10.680 5.487 387 HG2 ARG 49 HG2 ARG 49 10.700 -9.682 3.482 388 HG3 ARG 49 HG1 ARG 49 10.329 -8.105 4.170 389 HD2 ARG 49 HD2 ARG 49 11.537 -8.815 6.247 390 HD3 ARG 49 HD1 ARG 49 11.979 -10.307 5.434 391 HE ARG 49 HE ARG 49 12.722 -8.176 3.785 392 HH11 ARG 49 HH12 ARG 49 13.640 -9.529 6.904 393 HH12 ARG 49 HH11 ARG 49 15.279 -8.983 6.790 394 HH21 ARG 49 HH21 ARG 49 14.896 -7.493 3.649 395 HH22 ARG 49 HH22 ARG 49 15.983 -7.832 4.948 396 H GLY 50 HN GLY 50 5.490 -9.688 3.154 397 HA2 GLY 50 HA2 GLY 50 3.635 -8.655 3.987 398 HA3 GLY 50 HA1 GLY 50 4.615 -7.952 5.243 399 H PHE 51 HN PHE 51 5.990 -6.792 2.274 400 HA PHE 51 HA PHE 51 4.213 -4.553 2.258 401 HB2 PHE 51 HB2 PHE 51 5.256 -2.988 3.681 402 HB3 PHE 51 HB1 PHE 51 5.335 -4.500 4.549 403 HD1 PHE 51 HD1 PHE 51 7.525 -5.630 4.917 404 HD2 PHE 51 HD2 PHE 51 7.267 -1.743 3.136 405 HE1 PHE 51 HE1 PHE 51 9.907 -5.240 5.344 406 HE2 PHE 51 HE2 PHE 51 9.647 -1.392 3.590 407 HZ PHE 51 HZ PHE 51 10.962 -3.153 4.684 408 H ALA 52 HN ALA 52 4.401 -3.596 0.110 409 HA ALA 52 HA ALA 52 7.156 -2.880 -0.757 410 HB1 ALA 52 HB1 ALA 52 4.765 -3.534 -2.512 411 HB2 ALA 52 HB2 ALA 52 6.241 -4.478 -2.358 412 HB3 ALA 52 HB3 ALA 52 6.292 -2.886 -3.101 413 H PHE 53 HN PHE 53 7.517 -0.672 -1.291 414 HA PHE 53 HA PHE 53 5.317 1.236 -0.982 415 HB2 PHE 53 HB2 PHE 53 8.308 1.597 -1.039 416 HB3 PHE 53 HB1 PHE 53 7.211 2.972 -1.147 417 HD1 PHE 53 HD1 PHE 53 8.334 0.180 1.014 418 HD2 PHE 53 HD2 PHE 53 6.169 3.853 0.888 419 HE1 PHE 53 HE1 PHE 53 8.307 0.209 3.400 420 HE2 PHE 53 HE2 PHE 53 6.127 3.827 3.356 421 HZ PHE 53 HZ PHE 53 7.187 2.049 4.597 422 H VAL 54 HN VAL 54 4.663 2.779 -2.732 423 HA VAL 54 HA VAL 54 5.940 2.454 -5.359 424 HB VAL 54 HB VAL 54 2.914 1.933 -5.076 425 HG11 VAL 54 HG11 VAL 54 2.485 1.976 -7.356 426 HG12 VAL 54 HG12 VAL 54 4.176 2.153 -7.769 427 HG13 VAL 54 HG13 VAL 54 3.306 3.494 -7.013 428 HG21 VAL 54 HG21 VAL 54 4.785 0.248 -6.638 429 HG22 VAL 54 HG22 VAL 54 3.100 -0.028 -6.281 430 HG23 VAL 54 HG23 VAL 54 4.278 -0.101 -5.003 431 H GLU 55 HN GLU 55 6.507 4.838 -5.786 432 HA GLU 55 HA GLU 55 4.490 6.781 -5.223 433 HB2 GLU 55 HB2 GLU 55 7.263 6.766 -5.692 434 HB3 GLU 55 HB1 GLU 55 6.557 7.857 -6.865 435 HG2 GLU 55 HG2 GLU 55 7.420 8.929 -4.864 436 HG3 GLU 55 HG1 GLU 55 5.746 9.261 -5.139 437 H TYR 56 HN TYR 56 3.153 8.042 -6.644 438 HA TYR 56 HA TYR 56 2.945 7.109 -9.458 439 HB2 TYR 56 HB2 TYR 56 0.892 7.790 -7.497 440 HB3 TYR 56 HB1 TYR 56 0.761 8.899 -8.839 441 HD1 TYR 56 HD1 TYR 56 0.965 5.132 -8.251 442 HD2 TYR 56 HD2 TYR 56 -0.586 8.344 -10.601 443 HE1 TYR 56 HE1 TYR 56 -0.554 3.603 -9.333 444 HE2 TYR 56 HE2 TYR 56 -2.078 6.799 -11.683 445 HH TYR 56 HH TYR 56 -2.726 3.695 -10.552 446 H VAL 57 HN VAL 57 2.237 9.100 -11.181 447 HA VAL 57 HA VAL 57 3.781 11.505 -10.501 448 HB VAL 57 HB VAL 57 2.931 10.404 -13.176 449 HG11 VAL 57 HG11 VAL 57 3.258 13.382 -12.801 450 HG12 VAL 57 HG12 VAL 57 2.071 12.505 -13.784 451 HG13 VAL 57 HG13 VAL 57 3.748 12.551 -14.274 452 HG21 VAL 57 HG21 VAL 57 5.203 10.177 -12.329 453 HG22 VAL 57 HG22 VAL 57 5.375 11.918 -12.366 454 HG23 VAL 57 HG23 VAL 57 5.119 11.026 -13.855 455 H GLU 58 HN GLU 58 0.303 10.758 -10.700 456 HA GLU 58 HA GLU 58 -0.252 13.624 -11.004 457 HB2 GLU 58 HB2 GLU 58 -2.462 12.627 -12.157 458 HB3 GLU 58 HB1 GLU 58 -1.097 13.077 -13.079 459 HG2 GLU 58 HG2 GLU 58 -1.507 10.244 -12.157 460 HG3 GLU 58 HG1 GLU 58 -2.247 10.885 -13.616 461 H VAL 59 HN VAL 59 -1.717 14.518 -9.289 462 HA VAL 59 HA VAL 59 -2.265 12.530 -7.329 463 HB VAL 59 HB VAL 59 -1.881 14.036 -5.869 464 HG11 VAL 59 HG11 VAL 59 -1.796 16.221 -7.883 465 HG12 VAL 59 HG12 VAL 59 -0.457 15.230 -7.301 466 HG13 VAL 59 HG13 VAL 59 -1.266 16.328 -6.215 467 HG21 VAL 59 HG21 VAL 59 -4.107 15.891 -6.663 468 HG22 VAL 59 HG22 VAL 59 -3.171 15.948 -5.182 469 HG23 VAL 59 HG23 VAL 59 -4.229 14.585 -5.486 470 H ASP 60 HN ASP 60 -4.680 14.009 -9.585 471 HA ASP 60 HA ASP 60 -6.890 12.986 -7.991 472 HB2 ASP 60 HB2 ASP 60 -7.317 14.691 -9.763 473 HB3 ASP 60 HB1 ASP 60 -7.052 13.442 -10.979 474 H ASP 61 HN ASP 61 -5.663 11.670 -11.096 475 HA ASP 61 HA ASP 61 -6.625 9.168 -11.120 476 HB2 ASP 61 HB2 ASP 61 -3.710 9.690 -11.833 477 HB3 ASP 61 HB1 ASP 61 -4.712 8.370 -12.418 478 H ALA 62 HN ALA 62 -3.529 9.783 -9.314 479 HA ALA 62 HA ALA 62 -3.054 7.528 -7.960 480 HB1 ALA 62 HB1 ALA 62 -1.823 9.635 -7.603 481 HB2 ALA 62 HB2 ALA 62 -2.190 8.793 -6.127 482 HB3 ALA 62 HB3 ALA 62 -3.123 10.190 -6.586 483 H LYS 63 HN LYS 63 -5.120 9.966 -6.445 484 HA LYS 63 HA LYS 63 -6.210 8.376 -4.431 485 HB2 LYS 63 HB2 LYS 63 -7.672 10.762 -5.590 486 HB3 LYS 63 HB1 LYS 63 -8.116 9.876 -4.145 487 HG2 LYS 63 HG2 LYS 63 -6.081 10.473 -3.016 488 HG3 LYS 63 HG1 LYS 63 -5.424 11.219 -4.468 489 HD2 LYS 63 HD2 LYS 63 -7.044 13.003 -4.342 490 HD3 LYS 63 HD1 LYS 63 -7.873 12.214 -2.999 491 HE2 LYS 63 HE2 LYS 63 -4.983 13.020 -2.852 492 HE3 LYS 63 HE1 LYS 63 -6.291 14.123 -2.424 493 HZ1 LYS 63 HZ1 LYS 63 -7.000 12.547 -0.732 494 HZ2 LYS 63 HZ2 LYS 63 -5.390 12.999 -0.489 495 HZ3 LYS 63 HZ3 LYS 63 -5.750 11.491 -1.160 496 H HIS 64 HN HIS 64 -7.919 8.813 -7.647 497 HA HIS 64 HA HIS 64 -9.909 6.980 -6.847 498 HB2 HIS 64 HB2 HIS 64 -9.358 7.702 -9.754 499 HB3 HIS 64 HB1 HIS 64 -10.637 6.666 -9.179 500 HD1 HIS 64 HD1 HIS 64 -9.563 10.275 -9.095 501 HD2 HIS 64 HD2 HIS 64 -12.842 7.897 -8.131 502 HE1 HIS 64 HE1 HIS 64 -11.422 11.870 -8.545 503 HE2 HIS 64 HE2 HIS 64 -13.435 10.412 -8.130 504 H ALA 65 HN ALA 65 -6.739 6.214 -8.354 505 HA ALA 65 HA ALA 65 -7.305 3.527 -8.946 506 HB1 ALA 65 HB1 ALA 65 -5.288 4.548 -9.814 507 HB2 ALA 65 HB2 ALA 65 -4.923 3.062 -8.953 508 HB3 ALA 65 HB3 ALA 65 -4.588 4.614 -8.200 509 H LEU 66 HN LEU 66 -5.650 4.596 -5.904 510 HA LEU 66 HA LEU 66 -5.708 2.089 -4.788 511 HB2 LEU 66 HB2 LEU 66 -4.459 2.837 -3.156 512 HB3 LEU 66 HB1 LEU 66 -4.546 4.373 -3.889 513 HG LEU 66 HG LEU 66 -6.421 4.909 -2.086 514 HD11 LEU 66 HD11 LEU 66 -5.004 2.750 -0.575 515 HD12 LEU 66 HD12 LEU 66 -6.538 2.438 -1.376 516 HD13 LEU 66 HD13 LEU 66 -6.439 3.672 -0.132 517 HD21 LEU 66 HD21 LEU 66 -4.181 5.932 -2.019 518 HD22 LEU 66 HD22 LEU 66 -3.517 4.462 -1.329 519 HD23 LEU 66 HD23 LEU 66 -4.666 5.419 -0.416 520 H TYR 67 HN TYR 67 -8.479 4.395 -4.370 521 HA TYR 67 HA TYR 67 -9.997 2.706 -2.804 522 HB2 TYR 67 HB2 TYR 67 -10.513 5.046 -3.840 523 HB3 TYR 67 HB1 TYR 67 -11.207 4.124 -5.167 524 HD1 TYR 67 HD1 TYR 67 -11.501 5.095 -1.648 525 HD2 TYR 67 HD2 TYR 67 -13.298 2.898 -4.832 526 HE1 TYR 67 HE1 TYR 67 -13.566 4.945 -0.373 527 HE2 TYR 67 HE2 TYR 67 -15.392 2.764 -3.550 528 HH TYR 67 HH TYR 67 -16.141 2.911 -1.223 529 H ASN 68 HN ASN 68 -9.754 2.533 -6.404 530 HA ASN 68 HA ASN 68 -11.207 0.084 -6.542 531 HB2 ASN 68 HB2 ASN 68 -10.848 1.638 -8.544 532 HB3 ASN 68 HB1 ASN 68 -9.235 0.941 -8.736 533 HD21 ASN 68 HD21 ASN 68 -9.015 -1.116 -9.514 534 HD22 ASN 68 HD22 ASN 68 -10.324 -1.995 -10.221 535 H MET 69 HN MET 69 -7.942 0.434 -5.362 536 HA MET 69 HA MET 69 -7.117 -2.112 -6.474 537 HB2 MET 69 HB2 MET 69 -5.610 0.073 -5.055 538 HB3 MET 69 HB1 MET 69 -4.890 -1.513 -5.237 539 HG2 MET 69 HG2 MET 69 -5.638 0.475 -7.370 540 HG3 MET 69 HG1 MET 69 -4.071 -0.221 -6.993 541 HE1 MET 69 HE1 MET 69 -4.880 -1.493 -10.627 542 HE2 MET 69 HE2 MET 69 -3.671 -0.696 -9.619 543 HE3 MET 69 HE3 MET 69 -5.232 0.074 -9.896 544 H ASN 70 HN ASN 70 -9.077 -1.599 -3.886 545 HA ASN 70 HA ASN 70 -7.614 -3.191 -1.977 546 HB2 ASN 70 HB2 ASN 70 -9.872 -3.080 -0.677 547 HB3 ASN 70 HB1 ASN 70 -8.891 -1.635 -0.801 548 HD21 ASN 70 HD21 ASN 70 -10.398 -0.151 -0.534 549 HD22 ASN 70 HD22 ASN 70 -11.742 0.132 -1.585 550 H ASN 71 HN ASN 71 -10.494 -3.684 -4.039 551 HA ASN 71 HA ASN 71 -10.498 -6.494 -3.317 552 HB2 ASN 71 HB2 ASN 71 -12.623 -6.630 -4.567 553 HB3 ASN 71 HB1 ASN 71 -12.599 -5.379 -3.344 554 HD21 ASN 71 HD21 ASN 71 -10.967 -4.499 -6.392 555 HD22 ASN 71 HD22 ASN 71 -12.269 -3.513 -6.949 556 H PHE 72 HN PHE 72 -8.458 -5.192 -5.253 557 HA PHE 72 HA PHE 72 -8.925 -6.739 -7.681 558 HB2 PHE 72 HB2 PHE 72 -8.281 -4.535 -8.269 559 HB3 PHE 72 HB1 PHE 72 -7.081 -4.424 -7.011 560 HD1 PHE 72 HD1 PHE 72 -7.811 -5.995 -10.308 561 HD2 PHE 72 HD2 PHE 72 -4.832 -4.864 -7.483 562 HE1 PHE 72 HE1 PHE 72 -6.049 -6.447 -11.972 563 HE2 PHE 72 HE2 PHE 72 -3.080 -5.326 -9.139 564 HZ PHE 72 HZ PHE 72 -3.685 -6.128 -11.380 565 H GLU 73 HN GLU 73 -7.888 -8.808 -7.908 566 HA GLU 73 HA GLU 73 -5.795 -9.275 -5.958 567 HB2 GLU 73 HB2 GLU 73 -6.413 -11.473 -5.664 568 HB3 GLU 73 HB1 GLU 73 -7.947 -10.740 -5.966 569 HG2 GLU 73 HG2 GLU 73 -6.695 -11.746 -8.416 570 HG3 GLU 73 HG1 GLU 73 -6.917 -12.937 -7.182 571 H LEU 74 HN LEU 74 -3.699 -9.974 -6.563 572 HA LEU 74 HA LEU 74 -3.010 -9.694 -9.397 573 HB2 LEU 74 HB2 LEU 74 -1.731 -8.709 -6.902 574 HB3 LEU 74 HB1 LEU 74 -0.547 -9.494 -7.914 575 HG LEU 74 HG LEU 74 -2.162 -7.437 -9.312 576 HD11 LEU 74 HD11 LEU 74 -0.363 -6.706 -7.008 577 HD12 LEU 74 HD12 LEU 74 -2.102 -6.429 -7.110 578 HD13 LEU 74 HD13 LEU 74 -1.006 -5.572 -8.194 579 HD21 LEU 74 HD21 LEU 74 0.852 -7.734 -8.949 580 HD22 LEU 74 HD22 LEU 74 0.050 -6.563 -9.986 581 HD23 LEU 74 HD23 LEU 74 -0.056 -8.271 -10.365 582 H ASN 75 HN ASN 75 -2.690 -11.921 -10.357 583 HA ASN 75 HA ASN 75 -1.767 -14.042 -10.568 584 HB2 ASN 75 HB2 ASN 75 0.391 -12.892 -8.671 585 HB3 ASN 75 HB1 ASN 75 0.517 -14.457 -9.459 586 HD21 ASN 75 HD21 ASN 75 2.661 -13.427 -10.156 587 HD22 ASN 75 HD22 ASN 75 2.622 -12.437 -11.576 588 H GLY 76 HN GLY 76 -3.949 -14.122 -8.965 589 HA2 GLY 76 HA2 GLY 76 -5.091 -15.237 -7.387 590 HA3 GLY 76 HA1 GLY 76 -3.764 -16.340 -7.389 591 H LYS 77 HN LYS 77 -3.417 -13.039 -6.262 592 HA LYS 77 HA LYS 77 -3.167 -13.980 -3.549 593 HB2 LYS 77 HB2 LYS 77 -0.822 -13.855 -4.598 594 HB3 LYS 77 HB1 LYS 77 -1.050 -12.125 -4.785 595 HG2 LYS 77 HG2 LYS 77 -0.144 -11.852 -2.819 596 HG3 LYS 77 HG1 LYS 77 -1.591 -12.526 -2.114 597 HD2 LYS 77 HD2 LYS 77 -0.194 -14.802 -2.758 598 HD3 LYS 77 HD1 LYS 77 1.101 -13.677 -2.402 599 HE2 LYS 77 HE2 LYS 77 0.143 -13.243 -0.171 600 HE3 LYS 77 HE1 LYS 77 -1.199 -14.333 -0.519 601 HZ1 LYS 77 HZ1 LYS 77 0.497 -16.116 -0.812 602 HZ2 LYS 77 HZ2 LYS 77 0.382 -15.509 0.762 603 HZ3 LYS 77 HZ3 LYS 77 1.665 -15.037 -0.231 604 H ARG 78 HN ARG 78 -3.288 -12.174 -1.876 605 HA ARG 78 HA ARG 78 -5.157 -10.088 -2.838 606 HB2 ARG 78 HB2 ARG 78 -5.732 -11.923 -0.883 607 HB3 ARG 78 HB1 ARG 78 -4.925 -10.739 0.130 608 HG2 ARG 78 HG2 ARG 78 -7.642 -10.732 -1.087 609 HG3 ARG 78 HG1 ARG 78 -7.084 -10.192 0.483 610 HD2 ARG 78 HD2 ARG 78 -6.158 -8.128 -0.622 611 HD3 ARG 78 HD1 ARG 78 -6.939 -8.663 -2.116 612 HE ARG 78 HE ARG 78 -8.228 -7.634 0.264 613 HH11 ARG 78 HH12 ARG 78 -8.678 -9.231 -2.840 614 HH12 ARG 78 HH11 ARG 78 -10.366 -8.851 -2.928 615 HH21 ARG 78 HH22 ARG 78 -10.469 -7.191 0.149 616 HH22 ARG 78 HH21 ARG 78 -11.376 -7.696 -1.236 617 H ILE 79 HN ILE 79 -4.329 -7.872 -2.740 618 HA ILE 79 HA ILE 79 -1.994 -7.434 -0.946 619 HB ILE 79 HB ILE 79 -2.082 -5.062 -2.113 620 HG12 ILE 79 HG12 ILE 79 -3.188 -6.746 -4.385 621 HG13 ILE 79 HG11 ILE 79 -4.136 -5.543 -3.508 622 HG21 ILE 79 HG21 ILE 79 -0.624 -5.971 -3.992 623 HG22 ILE 79 HG22 ILE 79 -0.855 -7.524 -3.211 624 HG23 ILE 79 HG23 ILE 79 -0.120 -6.199 -2.326 625 HD11 ILE 79 HD11 ILE 79 -2.606 -3.797 -4.246 626 HD12 ILE 79 HD12 ILE 79 -3.289 -4.675 -5.622 627 HD13 ILE 79 HD13 ILE 79 -1.632 -5.014 -5.094 628 H HIS 80 HN HIS 80 -2.189 -6.301 0.930 629 HA HIS 80 HA HIS 80 -4.632 -4.771 1.441 630 HB2 HIS 80 HB2 HIS 80 -2.134 -5.313 3.075 631 HB3 HIS 80 HB1 HIS 80 -3.323 -4.149 3.626 632 HD1 HIS 80 HD1 HIS 80 -2.610 -7.755 3.500 633 HD2 HIS 80 HD2 HIS 80 -5.897 -5.330 4.261 634 HE1 HIS 80 HE1 HIS 80 -4.321 -9.243 4.593 635 HE2 HIS 80 HE2 HIS 80 -6.290 -7.743 5.072 636 H VAL 81 HN VAL 81 -4.848 -2.712 0.509 637 HA VAL 81 HA VAL 81 -2.467 -1.103 -0.103 638 HB VAL 81 HB VAL 81 -5.246 -1.266 -1.404 639 HG11 VAL 81 HG11 VAL 81 -4.626 0.124 -3.185 640 HG12 VAL 81 HG12 VAL 81 -3.069 0.482 -2.477 641 HG13 VAL 81 HG13 VAL 81 -4.558 1.009 -1.680 642 HG21 VAL 81 HG21 VAL 81 -3.690 -3.137 -1.968 643 HG22 VAL 81 HG22 VAL 81 -2.634 -1.950 -2.738 644 HG23 VAL 81 HG23 VAL 81 -4.260 -2.211 -3.332 645 H ASN 82 HN ASN 82 -2.291 0.977 1.212 646 HA ASN 82 HA ASN 82 -4.865 2.106 2.182 647 HB2 ASN 82 HB2 ASN 82 -2.826 2.068 4.349 648 HB3 ASN 82 HB1 ASN 82 -4.557 1.783 4.431 649 HD21 ASN 82 HD21 ASN 82 -5.397 -0.283 4.046 650 HD22 ASN 82 HD22 ASN 82 -4.411 -1.685 4.234 651 H TYR 83 HN TYR 83 -4.674 4.344 3.105 652 HA TYR 83 HA TYR 83 -3.044 6.044 1.498 653 HB2 TYR 83 HB2 TYR 83 -5.241 6.346 3.486 654 HB3 TYR 83 HB1 TYR 83 -4.245 7.763 3.324 655 HD1 TYR 83 HD1 TYR 83 -4.259 9.035 1.075 656 HD2 TYR 83 HD2 TYR 83 -6.873 5.714 1.795 657 HE1 TYR 83 HE1 TYR 83 -5.569 9.666 -0.842 658 HE2 TYR 83 HE2 TYR 83 -8.206 6.359 -0.157 659 HH TYR 83 HH TYR 83 -8.683 8.431 -1.466 660 H SER 84 HN SER 84 -0.811 6.731 2.045 661 HA SER 84 HA SER 84 0.250 5.450 4.379 662 HB2 SER 84 HB2 SER 84 1.711 6.956 2.198 663 HB3 SER 84 HB1 SER 84 2.394 5.751 3.287 664 HG SER 84 HG SER 84 1.946 4.681 1.436 665 H LYS 85 HN LYS 85 0.919 6.508 6.293 666 HA LYS 85 HA LYS 85 0.652 9.068 7.055 667 HB2 LYS 85 HB2 LYS 85 1.584 6.963 8.305 668 HB3 LYS 85 HB1 LYS 85 3.159 7.461 7.736 669 HG2 LYS 85 HG2 LYS 85 1.743 9.561 9.289 670 HG3 LYS 85 HG1 LYS 85 2.169 8.120 10.187 671 HD2 LYS 85 HD2 LYS 85 4.361 8.585 10.186 672 HD3 LYS 85 HD1 LYS 85 4.388 9.039 8.489 673 HE2 LYS 85 HE2 LYS 85 5.035 10.838 10.134 674 HE3 LYS 85 HE1 LYS 85 3.771 11.298 8.995 675 HZ1 LYS 85 HZ1 LYS 85 3.364 10.411 11.809 676 HZ2 LYS 85 HZ2 LYS 85 2.132 10.852 10.734 677 HZ3 LYS 85 HZ3 LYS 85 3.255 12.005 11.249 678 H THR 86 HN THR 86 1.269 10.846 5.546 679 HA THR 86 HA THR 86 4.175 11.140 5.239 680 HB THR 86 HB THR 86 3.608 12.996 3.644 681 HG1 THR 86 HG1 THR 86 1.341 13.107 4.835 682 HG21 THR 86 HG21 THR 86 2.423 11.696 1.828 683 HG22 THR 86 HG22 THR 86 2.174 10.390 2.979 684 HG23 THR 86 HG23 THR 86 3.810 10.853 2.514 Start of MODEL 14 1 H1 GLY -2 HT1 GLY -2 -18.810 -0.134 1.681 2 H2 GLY -2 HT2 GLY -2 -17.934 -1.575 1.816 3 H3 GLY -2 HT3 GLY -2 -17.990 -0.759 0.339 4 HA2 GLY -2 HA1 GLY -2 -16.757 1.092 1.258 5 HA3 GLY -2 HA2 GLY -2 -16.742 0.287 2.822 6 H SER -1 HN SER -1 -14.401 1.090 1.509 7 HA SER -1 HA SER -1 -13.301 -1.449 0.518 8 HB2 SER -1 HB2 SER -1 -12.411 1.385 -0.061 9 HB3 SER -1 HB1 SER -1 -11.660 -0.068 -0.711 10 HG SER -1 HG SER -1 -13.075 0.628 -2.245 11 H HIS 0 HN HIS 0 -12.930 -2.073 2.753 12 HA HIS 0 HA HIS 0 -11.831 -2.379 4.691 13 HB2 HIS 0 HB2 HIS 0 -9.480 -1.405 3.038 14 HB3 HIS 0 HB1 HIS 0 -9.310 -1.965 4.682 15 HD1 HIS 0 HD1 HIS 0 -10.316 -4.520 5.066 16 HD2 HIS 0 HD2 HIS 0 -9.185 -3.379 1.233 17 HE1 HIS 0 HE1 HIS 0 -9.976 -6.658 3.792 18 HE2 HIS 0 HE2 HIS 0 -9.581 -5.930 1.419 19 H MET 1 HN MET 1 -9.707 -0.938 5.957 20 HA MET 1 HA MET 1 -11.052 1.172 7.306 21 HB2 MET 1 HB2 MET 1 -8.015 0.668 7.190 22 HB3 MET 1 HB1 MET 1 -8.911 1.503 8.456 23 HG2 MET 1 HG2 MET 1 -9.718 -1.312 8.102 24 HG3 MET 1 HG1 MET 1 -8.028 -1.082 8.490 25 HE1 MET 1 HE1 MET 1 -11.732 -0.371 9.736 26 HE2 MET 1 HE2 MET 1 -11.025 1.245 9.719 27 HE3 MET 1 HE3 MET 1 -11.409 0.465 11.254 28 H SER 2 HN SER 2 -11.712 2.942 6.056 29 HA SER 2 HA SER 2 -9.816 4.220 4.285 30 HB2 SER 2 HB2 SER 2 -12.523 5.192 5.274 31 HB3 SER 2 HB1 SER 2 -11.659 5.826 3.871 32 HG SER 2 HG SER 2 -11.769 3.503 3.146 33 H ASP 3 HN ASP 3 -8.170 4.356 6.304 34 HA ASP 3 HA ASP 3 -8.533 6.645 7.964 35 HB2 ASP 3 HB2 ASP 3 -6.103 6.390 8.458 36 HB3 ASP 3 HB1 ASP 3 -7.050 4.927 8.700 37 H ASN 4 HN ASN 4 -7.157 6.399 4.650 38 HA ASN 4 HA ASN 4 -7.325 9.227 4.451 39 HB2 ASN 4 HB2 ASN 4 -4.963 8.469 5.614 40 HB3 ASN 4 HB1 ASN 4 -4.519 8.535 3.905 41 HD21 ASN 4 HD21 ASN 4 -5.827 10.286 6.591 42 HD22 ASN 4 HD22 ASN 4 -5.501 11.856 5.979 43 H ASN 5 HN ASN 5 -7.558 9.873 2.466 44 HA ASN 5 HA ASN 5 -7.874 8.020 0.367 45 HB2 ASN 5 HB2 ASN 5 -7.700 11.051 0.050 46 HB3 ASN 5 HB1 ASN 5 -8.470 9.925 -1.057 47 HD21 ASN 5 HD21 ASN 5 -10.417 8.928 -0.449 48 HD22 ASN 5 HD22 ASN 5 -11.413 9.595 0.791 49 H ALA 6 HN ALA 6 -5.003 9.897 1.195 50 HA ALA 6 HA ALA 6 -2.877 9.840 0.472 51 HB1 ALA 6 HB1 ALA 6 -3.631 7.750 -1.560 52 HB2 ALA 6 HB2 ALA 6 -3.144 7.412 0.099 53 HB3 ALA 6 HB3 ALA 6 -2.013 8.169 -1.016 54 H THR 7 HN THR 7 -2.211 11.712 -0.446 55 HA THR 7 HA THR 7 -2.686 11.923 -3.363 56 HB THR 7 HB THR 7 -3.063 14.009 -2.236 57 HG1 THR 7 HG1 THR 7 -0.540 14.278 -3.542 58 HG21 THR 7 HG21 THR 7 -0.258 13.759 -1.136 59 HG22 THR 7 HG22 THR 7 -1.764 13.925 -0.233 60 HG23 THR 7 HG23 THR 7 -1.152 15.276 -1.180 61 H ASP 8 HN ASP 8 -1.086 11.396 -4.784 62 HA ASP 8 HA ASP 8 0.680 10.659 -5.855 63 HB2 ASP 8 HB2 ASP 8 2.587 12.229 -5.827 64 HB3 ASP 8 HB1 ASP 8 1.115 13.072 -5.688 65 H ILE 9 HN ILE 9 0.397 9.375 -2.893 66 HA ILE 9 HA ILE 9 2.856 7.841 -2.978 67 HB ILE 9 HB ILE 9 2.164 9.319 -0.394 68 HG12 ILE 9 HG12 ILE 9 4.568 9.902 -2.161 69 HG13 ILE 9 HG11 ILE 9 3.060 10.707 -2.383 70 HG21 ILE 9 HG21 ILE 9 4.187 8.445 0.524 71 HG22 ILE 9 HG22 ILE 9 4.680 7.789 -1.021 72 HG23 ILE 9 HG23 ILE 9 3.307 7.105 -0.166 73 HD11 ILE 9 HD11 ILE 9 4.341 12.207 -1.301 74 HD12 ILE 9 HD12 ILE 9 5.022 11.039 -0.203 75 HD13 ILE 9 HD13 ILE 9 3.337 11.560 -0.012 76 H LEU 10 HN LEU 10 2.237 5.654 -2.896 77 HA LEU 10 HA LEU 10 -0.323 4.897 -1.558 78 HB2 LEU 10 HB2 LEU 10 0.723 4.241 -4.315 79 HB3 LEU 10 HB1 LEU 10 -0.383 3.134 -3.527 80 HG LEU 10 HG LEU 10 -1.060 5.143 -5.307 81 HD11 LEU 10 HD11 LEU 10 -2.293 3.286 -5.064 82 HD12 LEU 10 HD12 LEU 10 -3.336 4.626 -4.622 83 HD13 LEU 10 HD13 LEU 10 -2.629 3.602 -3.355 84 HD21 LEU 10 HD21 LEU 10 -2.297 6.189 -2.725 85 HD22 LEU 10 HD22 LEU 10 -2.297 6.907 -4.315 86 HD23 LEU 10 HD23 LEU 10 -0.835 6.935 -3.373 87 H PHE 11 HN PHE 11 0.335 3.242 0.257 88 HA PHE 11 HA PHE 11 2.461 1.473 -0.485 89 HB2 PHE 11 HB2 PHE 11 2.900 2.226 1.614 90 HB3 PHE 11 HB1 PHE 11 1.235 2.466 1.986 91 HD1 PHE 11 HD1 PHE 11 -0.117 0.257 2.737 92 HD2 PHE 11 HD2 PHE 11 4.147 0.740 2.745 93 HE1 PHE 11 HE1 PHE 11 0.080 -1.340 4.593 94 HE2 PHE 11 HE2 PHE 11 4.305 -0.887 4.546 95 HZ PHE 11 HZ PHE 11 2.293 -1.951 5.461 96 H VAL 12 HN VAL 12 2.416 -0.596 -0.918 97 HA VAL 12 HA VAL 12 -0.088 -2.136 -0.763 98 HB VAL 12 HB VAL 12 1.589 -1.921 -3.334 99 HG11 VAL 12 HG11 VAL 12 0.767 -3.870 -4.403 100 HG12 VAL 12 HG12 VAL 12 -0.252 -4.309 -3.055 101 HG13 VAL 12 HG13 VAL 12 1.505 -4.428 -2.908 102 HG21 VAL 12 HG21 VAL 12 -0.548 -0.651 -3.069 103 HG22 VAL 12 HG22 VAL 12 -1.381 -2.200 -3.062 104 HG23 VAL 12 HG23 VAL 12 -0.473 -1.714 -4.470 105 H GLY 13 HN GLY 13 0.319 -4.069 0.645 106 HA2 GLY 13 HA2 GLY 13 2.992 -5.306 0.332 107 HA3 GLY 13 HA1 GLY 13 2.171 -5.178 1.889 108 H GLY 14 HN GLY 14 2.866 -7.676 1.047 109 HA2 GLY 14 HA2 GLY 14 1.888 -9.741 0.755 110 HA3 GLY 14 HA1 GLY 14 0.354 -8.959 0.775 111 H ILE 15 HN ILE 15 3.196 -9.042 -1.457 112 HA ILE 15 HA ILE 15 1.235 -9.460 -3.592 113 HB ILE 15 HB ILE 15 3.838 -8.995 -4.774 114 HG12 ILE 15 HG12 ILE 15 2.946 -6.392 -3.868 115 HG13 ILE 15 HG11 ILE 15 3.480 -7.353 -2.513 116 HG21 ILE 15 HG21 ILE 15 2.561 -7.492 -6.141 117 HG22 ILE 15 HG22 ILE 15 1.327 -7.319 -4.896 118 HG23 ILE 15 HG23 ILE 15 1.500 -8.852 -5.763 119 HD11 ILE 15 HD11 ILE 15 5.608 -7.748 -3.911 120 HD12 ILE 15 HD12 ILE 15 5.382 -6.173 -3.178 121 HD13 ILE 15 HD13 ILE 15 5.054 -6.398 -4.861 122 H ASP 16 HN ASP 16 1.922 -10.993 -5.418 123 HA ASP 16 HA ASP 16 2.699 -13.463 -4.154 124 HB2 ASP 16 HB2 ASP 16 1.003 -14.041 -5.466 125 HB3 ASP 16 HB1 ASP 16 1.172 -12.671 -6.547 126 H GLU 17 HN GLU 17 4.290 -15.008 -5.238 127 HA GLU 17 HA GLU 17 6.741 -13.461 -4.997 128 HB2 GLU 17 HB2 GLU 17 7.978 -15.417 -4.450 129 HB3 GLU 17 HB1 GLU 17 6.385 -15.811 -3.826 130 HG2 GLU 17 HG2 GLU 17 6.030 -17.359 -5.701 131 HG3 GLU 17 HG1 GLU 17 7.518 -16.794 -6.448 132 H THR 18 HN THR 18 5.161 -14.042 -7.986 133 HA THR 18 HA THR 18 7.792 -14.316 -9.317 134 HB THR 18 HB THR 18 6.165 -16.021 -10.234 135 HG1 THR 18 HG1 THR 18 7.915 -15.538 -11.453 136 HG21 THR 18 HG21 THR 18 4.840 -13.640 -11.567 137 HG22 THR 18 HG22 THR 18 4.059 -14.771 -10.462 138 HG23 THR 18 HG23 THR 18 4.627 -15.320 -12.024 139 H ILE 19 HN ILE 19 6.658 -11.831 -8.110 140 HA ILE 19 HA ILE 19 6.732 -10.123 -10.466 141 HB ILE 19 HB ILE 19 5.957 -8.178 -9.237 142 HG12 ILE 19 HG12 ILE 19 6.261 -7.851 -7.008 143 HG13 ILE 19 HG11 ILE 19 4.812 -8.820 -6.771 144 HG21 ILE 19 HG21 ILE 19 3.647 -8.859 -8.459 145 HG22 ILE 19 HG22 ILE 19 4.085 -10.493 -8.929 146 HG23 ILE 19 HG23 ILE 19 4.091 -9.198 -10.123 147 HD11 ILE 19 HD11 ILE 19 6.085 -10.710 -6.179 148 HD12 ILE 19 HD12 ILE 19 6.804 -9.341 -5.332 149 HD13 ILE 19 HD13 ILE 19 7.579 -9.989 -6.771 150 H ASP 20 HN ASP 20 8.074 -8.130 -10.254 151 HA ASP 20 HA ASP 20 10.385 -8.290 -8.574 152 HB2 ASP 20 HB2 ASP 20 10.841 -9.773 -10.624 153 HB3 ASP 20 HB1 ASP 20 10.872 -8.305 -11.563 154 H GLU 21 HN GLU 21 11.925 -6.343 -9.441 155 HA GLU 21 HA GLU 21 10.395 -4.077 -8.864 156 HB2 GLU 21 HB2 GLU 21 12.829 -4.198 -8.274 157 HB3 GLU 21 HB1 GLU 21 13.282 -3.993 -9.939 158 HG2 GLU 21 HG2 GLU 21 12.395 -1.723 -9.894 159 HG3 GLU 21 HG1 GLU 21 11.966 -1.901 -8.236 160 H LYS 22 HN LYS 22 11.261 -5.084 -12.142 161 HA LYS 22 HA LYS 22 10.297 -2.660 -13.286 162 HB2 LYS 22 HB2 LYS 22 10.671 -4.784 -15.255 163 HB3 LYS 22 HB1 LYS 22 11.349 -3.185 -15.200 164 HG2 LYS 22 HG2 LYS 22 13.171 -4.671 -15.325 165 HG3 LYS 22 HG1 LYS 22 13.181 -4.118 -13.661 166 HD2 LYS 22 HD2 LYS 22 11.946 -6.290 -13.089 167 HD3 LYS 22 HD1 LYS 22 12.237 -6.782 -14.750 168 HE2 LYS 22 HE2 LYS 22 14.447 -5.962 -12.859 169 HE3 LYS 22 HE1 LYS 22 13.930 -7.630 -13.087 170 HZ1 LYS 22 HZ1 LYS 22 14.526 -7.480 -15.407 171 HZ2 LYS 22 HZ2 LYS 22 15.860 -7.077 -14.445 172 HZ3 LYS 22 HZ3 LYS 22 14.978 -5.865 -15.222 173 H SER 23 HN SER 23 8.947 -5.957 -12.948 174 HA SER 23 HA SER 23 6.777 -5.754 -14.626 175 HB2 SER 23 HB2 SER 23 6.372 -7.399 -12.199 176 HB3 SER 23 HB1 SER 23 6.336 -7.848 -13.894 177 HG SER 23 HG SER 23 8.126 -8.821 -13.208 178 H LEU 24 HN LEU 24 6.852 -4.977 -11.097 179 HA LEU 24 HA LEU 24 4.078 -4.277 -10.985 180 HB2 LEU 24 HB2 LEU 24 6.230 -3.633 -8.980 181 HB3 LEU 24 HB1 LEU 24 4.570 -3.127 -8.812 182 HG LEU 24 HG LEU 24 5.311 -6.014 -9.208 183 HD11 LEU 24 HD11 LEU 24 6.456 -5.486 -7.192 184 HD12 LEU 24 HD12 LEU 24 4.907 -6.185 -6.730 185 HD13 LEU 24 HD13 LEU 24 5.136 -4.454 -6.645 186 HD21 LEU 24 HD21 LEU 24 2.874 -5.145 -9.467 187 HD22 LEU 24 HD22 LEU 24 2.921 -4.993 -7.717 188 HD23 LEU 24 HD23 LEU 24 3.173 -6.555 -8.474 189 H TYR 25 HN TYR 25 6.737 -2.310 -12.120 190 HA TYR 25 HA TYR 25 5.537 0.229 -12.210 191 HB2 TYR 25 HB2 TYR 25 7.957 -0.518 -12.981 192 HB3 TYR 25 HB1 TYR 25 7.238 -0.889 -14.519 193 HD1 TYR 25 HD2 TYR 25 5.832 1.443 -15.454 194 HD2 TYR 25 HD1 TYR 25 9.325 1.302 -12.964 195 HE1 TYR 25 HE2 TYR 25 6.511 3.637 -16.277 196 HE2 TYR 25 HE1 TYR 25 10.008 3.487 -13.844 197 HH TYR 25 HH TYR 25 7.982 5.563 -15.400 198 H ASP 26 HN ASP 26 5.554 -2.180 -14.938 199 HA ASP 26 HA ASP 26 3.678 -0.872 -16.519 200 HB2 ASP 26 HB2 ASP 26 5.228 -3.354 -16.752 201 HB3 ASP 26 HB1 ASP 26 3.759 -3.268 -17.700 202 H ILE 27 HN ILE 27 2.793 -3.509 -14.210 203 HA ILE 27 HA ILE 27 0.209 -3.684 -15.403 204 HB ILE 27 HB ILE 27 0.758 -4.612 -12.513 205 HG12 ILE 27 HG12 ILE 27 0.468 -6.848 -14.269 206 HG13 ILE 27 HG11 ILE 27 1.705 -5.862 -15.006 207 HG21 ILE 27 HG21 ILE 27 -1.173 -6.001 -12.784 208 HG22 ILE 27 HG22 ILE 27 -1.366 -5.471 -14.451 209 HG23 ILE 27 HG23 ILE 27 -1.596 -4.337 -13.133 210 HD11 ILE 27 HD11 ILE 27 2.661 -7.604 -13.652 211 HD12 ILE 27 HD12 ILE 27 1.768 -7.088 -12.233 212 HD13 ILE 27 HD13 ILE 27 3.036 -6.055 -12.911 213 H PHE 28 HN PHE 28 1.354 -1.608 -12.565 214 HA PHE 28 HA PHE 28 -1.238 -0.408 -12.430 215 HB2 PHE 28 HB2 PHE 28 1.390 0.111 -11.135 216 HB3 PHE 28 HB1 PHE 28 0.120 1.325 -11.037 217 HD1 PHE 28 HD1 PHE 28 0.593 -2.306 -10.480 218 HD2 PHE 28 HD2 PHE 28 -1.193 1.333 -9.196 219 HE1 PHE 28 HE1 PHE 28 -0.251 -3.435 -8.497 220 HE2 PHE 28 HE2 PHE 28 -2.059 0.242 -7.187 221 HZ PHE 28 HZ PHE 28 -1.600 -2.176 -6.829 222 H SER 29 HN SER 29 1.195 0.022 -14.845 223 HA SER 29 HA SER 29 0.933 2.887 -14.949 224 HB2 SER 29 HB2 SER 29 2.302 2.814 -17.003 225 HB3 SER 29 HB1 SER 29 3.127 2.146 -15.600 226 HG SER 29 HG SER 29 3.163 0.919 -17.673 227 H SER 30 HN SER 30 -1.249 0.575 -15.847 228 HA SER 30 HA SER 30 -1.987 1.407 -18.461 229 HB2 SER 30 HB2 SER 30 -4.110 0.110 -17.994 230 HB3 SER 30 HB1 SER 30 -2.623 -0.813 -17.760 231 HG SER 30 HG SER 30 -4.315 -0.914 -16.039 232 H PHE 31 HN PHE 31 -3.482 2.224 -15.221 233 HA PHE 31 HA PHE 31 -4.645 4.594 -16.398 234 HB2 PHE 31 HB2 PHE 31 -4.775 3.226 -13.795 235 HB3 PHE 31 HB1 PHE 31 -4.824 4.972 -13.705 236 HD1 PHE 31 HD1 PHE 31 -6.482 2.104 -15.417 237 HD2 PHE 31 HD2 PHE 31 -6.804 6.093 -13.958 238 HE1 PHE 31 HE1 PHE 31 -8.900 2.081 -15.882 239 HE2 PHE 31 HE2 PHE 31 -9.217 6.077 -14.426 240 HZ PHE 31 HZ PHE 31 -10.270 4.068 -15.389 241 H GLY 32 HN GLY 32 -1.828 3.881 -14.357 242 HA2 GLY 32 HA2 GLY 32 -1.017 6.730 -14.446 243 HA3 GLY 32 HA1 GLY 32 -0.996 5.780 -13.002 244 H ASP 33 HN ASP 33 0.908 6.770 -15.634 245 HA ASP 33 HA ASP 33 2.959 4.782 -15.433 246 HB2 ASP 33 HB2 ASP 33 3.472 7.655 -16.310 247 HB3 ASP 33 HB1 ASP 33 4.496 6.259 -16.583 248 H ILE 34 HN ILE 34 5.342 5.273 -14.476 249 HA ILE 34 HA ILE 34 4.646 5.931 -11.669 250 HB ILE 34 HB ILE 34 6.003 3.394 -12.711 251 HG12 ILE 34 HG12 ILE 34 3.618 2.985 -12.671 252 HG13 ILE 34 HG11 ILE 34 4.276 2.214 -11.268 253 HG21 ILE 34 HG21 ILE 34 7.299 4.066 -10.827 254 HG22 ILE 34 HG22 ILE 34 6.428 2.586 -10.507 255 HG23 ILE 34 HG23 ILE 34 5.877 4.096 -9.822 256 HD11 ILE 34 HD11 ILE 34 2.172 3.999 -11.345 257 HD12 ILE 34 HD12 ILE 34 3.454 4.870 -10.564 258 HD13 ILE 34 HD13 ILE 34 2.955 3.335 -9.922 259 H ARG 35 HN ARG 35 6.352 6.873 -10.175 260 HA ARG 35 HA ARG 35 8.630 8.122 -11.533 261 HB2 ARG 35 HB2 ARG 35 7.063 8.825 -9.247 262 HB3 ARG 35 HB1 ARG 35 8.694 8.614 -8.636 263 HG2 ARG 35 HG2 ARG 35 9.542 10.407 -9.762 264 HG3 ARG 35 HG1 ARG 35 8.293 10.441 -10.990 265 HD2 ARG 35 HD2 ARG 35 7.479 10.935 -8.169 266 HD3 ARG 35 HD1 ARG 35 8.392 12.188 -8.993 267 HE ARG 35 HE ARG 35 5.713 11.210 -9.755 268 HH11 ARG 35 HH12 ARG 35 8.258 13.631 -10.087 269 HH12 ARG 35 HH11 ARG 35 7.260 14.750 -10.950 270 HH21 ARG 35 HH22 ARG 35 4.376 12.787 -10.824 271 HH22 ARG 35 HH21 ARG 35 5.081 14.274 -11.364 272 H ASN 36 HN ASN 36 8.535 5.316 -9.254 273 HA ASN 36 HA ASN 36 11.235 4.750 -9.201 274 HB2 ASN 36 HB2 ASN 36 11.554 6.996 -8.127 275 HB3 ASN 36 HB1 ASN 36 10.484 6.518 -6.817 276 HD21 ASN 36 HD21 ASN 36 11.940 6.558 -5.052 277 HD22 ASN 36 HD22 ASN 36 13.316 5.527 -4.992 278 H ILE 37 HN ILE 37 11.541 2.772 -7.365 279 HA ILE 37 HA ILE 37 8.909 2.018 -6.346 280 HB ILE 37 HB ILE 37 10.133 0.502 -8.716 281 HG12 ILE 37 HG12 ILE 37 8.337 2.276 -9.075 282 HG13 ILE 37 HG11 ILE 37 8.089 0.712 -9.827 283 HG21 ILE 37 HG21 ILE 37 8.702 -1.369 -8.440 284 HG22 ILE 37 HG22 ILE 37 7.987 -0.719 -6.983 285 HG23 ILE 37 HG23 ILE 37 9.673 -1.199 -6.999 286 HD11 ILE 37 HD11 ILE 37 6.597 2.028 -7.608 287 HD12 ILE 37 HD12 ILE 37 6.723 0.269 -7.593 288 HD13 ILE 37 HD13 ILE 37 6.001 1.083 -8.972 289 H GLU 38 HN GLU 38 9.262 1.200 -4.373 290 HA GLU 38 HA GLU 38 11.903 -0.065 -3.869 291 HB2 GLU 38 HB2 GLU 38 10.804 1.958 -2.360 292 HB3 GLU 38 HB1 GLU 38 10.121 0.608 -1.478 293 HG2 GLU 38 HG2 GLU 38 12.279 -0.084 -0.720 294 HG3 GLU 38 HG1 GLU 38 13.081 0.993 -1.838 295 H VAL 39 HN VAL 39 11.846 -2.287 -4.209 296 HA VAL 39 HA VAL 39 9.890 -3.814 -2.627 297 HB VAL 39 HB VAL 39 10.459 -4.616 -5.528 298 HG11 VAL 39 HG11 VAL 39 8.590 -5.872 -3.507 299 HG12 VAL 39 HG12 VAL 39 10.089 -6.554 -4.132 300 HG13 VAL 39 HG13 VAL 39 8.710 -6.327 -5.200 301 HG21 VAL 39 HG21 VAL 39 8.855 -2.874 -5.804 302 HG22 VAL 39 HG22 VAL 39 7.909 -3.451 -4.443 303 HG23 VAL 39 HG23 VAL 39 7.979 -4.389 -5.912 304 HA PRO 40 HA PRO 40 14.218 -5.534 -2.086 305 HB2 PRO 40 HB2 PRO 40 13.783 -6.374 0.475 306 HB3 PRO 40 HB1 PRO 40 14.264 -4.704 0.103 307 HG2 PRO 40 HG2 PRO 40 11.512 -5.790 0.502 308 HG3 PRO 40 HG1 PRO 40 12.300 -4.415 1.319 309 HD2 PRO 40 HD2 PRO 40 10.710 -3.903 -0.714 310 HD3 PRO 40 HD1 PRO 40 12.282 -3.107 -0.611 311 H LEU 41 HN LEU 41 14.619 -7.700 -2.714 312 HA LEU 41 HA LEU 41 12.639 -9.734 -1.960 313 HB2 LEU 41 HB2 LEU 41 12.631 -8.642 -4.657 314 HB3 LEU 41 HB1 LEU 41 13.179 -10.292 -4.727 315 HG LEU 41 HG LEU 41 11.085 -11.163 -3.989 316 HD11 LEU 41 HD11 LEU 41 9.912 -8.412 -3.453 317 HD12 LEU 41 HD12 LEU 41 10.411 -9.503 -2.172 318 HD13 LEU 41 HD13 LEU 41 9.138 -9.973 -3.283 319 HD21 LEU 41 HD21 LEU 41 10.366 -8.806 -5.690 320 HD22 LEU 41 HD22 LEU 41 9.546 -10.355 -5.579 321 HD23 LEU 41 HD23 LEU 41 11.149 -10.265 -6.302 322 H ASN 42 HN ASN 42 13.781 -11.962 -1.891 323 HA ASN 42 HA ASN 42 16.653 -11.440 -1.850 324 HB2 ASN 42 HB2 ASN 42 15.492 -11.635 0.478 325 HB3 ASN 42 HB1 ASN 42 15.331 -13.349 0.132 326 HD21 ASN 42 HD21 ASN 42 16.604 -13.283 2.168 327 HD22 ASN 42 HD22 ASN 42 18.315 -13.342 1.995 328 H MET 43 HN MET 43 18.036 -13.169 -2.710 329 HA MET 43 HA MET 43 16.611 -14.674 -4.709 330 HB2 MET 43 HB2 MET 43 18.996 -15.717 -5.204 331 HB3 MET 43 HB1 MET 43 18.676 -14.046 -5.673 332 HG2 MET 43 HG2 MET 43 20.034 -13.202 -3.863 333 HG3 MET 43 HG1 MET 43 19.945 -14.756 -3.008 334 HE1 MET 43 HE1 MET 43 20.666 -16.990 -4.936 335 HE2 MET 43 HE2 MET 43 21.468 -16.746 -3.387 336 HE3 MET 43 HE3 MET 43 22.424 -17.009 -4.840 337 H THR 44 HN THR 44 16.997 -15.754 -1.530 338 HA THR 44 HA THR 44 17.305 -18.490 -2.405 339 HB THR 44 HB THR 44 17.116 -17.487 0.485 340 HG1 THR 44 HG1 THR 44 19.385 -18.509 0.200 341 HG21 THR 44 HG21 THR 44 16.263 -19.824 0.416 342 HG22 THR 44 HG22 THR 44 17.812 -19.685 1.242 343 HG23 THR 44 HG23 THR 44 17.759 -20.325 -0.393 344 H THR 45 HN THR 45 14.613 -16.662 -0.773 345 HA THR 45 HA THR 45 12.900 -18.660 -2.022 346 HB THR 45 HB THR 45 12.778 -19.487 0.094 347 HG1 THR 45 HG1 THR 45 10.585 -18.366 -0.791 348 HG21 THR 45 HG21 THR 45 12.609 -16.732 1.333 349 HG22 THR 45 HG22 THR 45 13.844 -17.987 1.569 350 HG23 THR 45 HG23 THR 45 12.219 -18.220 2.184 351 H LYS 46 HN LYS 46 13.537 -15.597 -2.614 352 HA LYS 46 HA LYS 46 12.485 -13.636 -3.206 353 HB2 LYS 46 HB2 LYS 46 11.920 -15.371 -4.928 354 HB3 LYS 46 HB1 LYS 46 10.378 -15.643 -4.167 355 HG2 LYS 46 HG2 LYS 46 9.793 -14.318 -5.889 356 HG3 LYS 46 HG1 LYS 46 10.034 -13.090 -4.656 357 HD2 LYS 46 HD2 LYS 46 11.004 -12.365 -6.734 358 HD3 LYS 46 HD1 LYS 46 12.311 -12.688 -5.610 359 HE2 LYS 46 HE2 LYS 46 12.829 -14.747 -6.712 360 HE3 LYS 46 HE1 LYS 46 11.361 -14.650 -7.684 361 HZ1 LYS 46 HZ1 LYS 46 13.679 -12.798 -7.840 362 HZ2 LYS 46 HZ2 LYS 46 12.252 -12.652 -8.731 363 HZ3 LYS 46 HZ3 LYS 46 13.264 -13.983 -8.980 364 H LYS 47 HN LYS 47 11.906 -14.317 -0.406 365 HA LYS 47 HA LYS 47 9.184 -13.861 0.177 366 HB2 LYS 47 HB2 LYS 47 10.229 -13.366 2.558 367 HB3 LYS 47 HB1 LYS 47 10.367 -14.969 1.889 368 HG2 LYS 47 HG2 LYS 47 12.405 -14.454 2.952 369 HG3 LYS 47 HG1 LYS 47 12.731 -14.421 1.233 370 HD2 LYS 47 HD2 LYS 47 13.906 -12.616 2.217 371 HD3 LYS 47 HD1 LYS 47 12.551 -11.897 1.354 372 HE2 LYS 47 HE2 LYS 47 12.599 -10.753 3.393 373 HE3 LYS 47 HE1 LYS 47 11.347 -11.972 3.642 374 HZ1 LYS 47 HZ1 LYS 47 13.056 -13.368 4.722 375 HZ2 LYS 47 HZ2 LYS 47 12.767 -11.930 5.556 376 HZ3 LYS 47 HZ3 LYS 47 14.159 -12.095 4.601 377 H ASN 48 HN ASN 48 8.043 -11.923 0.795 378 HA ASN 48 HA ASN 48 9.723 -9.505 0.349 379 HB2 ASN 48 HB2 ASN 48 7.749 -8.227 -0.277 380 HB3 ASN 48 HB1 ASN 48 7.987 -9.618 -1.323 381 HD21 ASN 48 HD21 ASN 48 6.517 -11.331 -1.229 382 HD22 ASN 48 HD22 ASN 48 5.020 -11.217 -0.380 383 H ARG 49 HN ARG 49 8.107 -11.146 2.827 384 HA ARG 49 HA ARG 49 7.355 -10.675 4.864 385 HB2 ARG 49 HB2 ARG 49 8.841 -8.980 6.246 386 HB3 ARG 49 HB1 ARG 49 9.415 -10.572 5.854 387 HG2 ARG 49 HG2 ARG 49 10.697 -9.561 3.959 388 HG3 ARG 49 HG1 ARG 49 10.233 -7.966 4.592 389 HD2 ARG 49 HD2 ARG 49 11.301 -8.742 6.793 390 HD3 ARG 49 HD1 ARG 49 11.956 -10.095 5.875 391 HE ARG 49 HE ARG 49 12.712 -7.961 4.407 392 HH11 ARG 49 HH12 ARG 49 13.027 -8.677 7.840 393 HH12 ARG 49 HH11 ARG 49 14.502 -7.791 8.009 394 HH21 ARG 49 HH21 ARG 49 14.670 -6.836 4.641 395 HH22 ARG 49 HH22 ARG 49 15.435 -6.740 6.184 396 H GLY 50 HN GLY 50 5.525 -9.547 3.450 397 HA2 GLY 50 HA2 GLY 50 3.645 -8.387 3.918 398 HA3 GLY 50 HA1 GLY 50 4.381 -7.930 5.426 399 H PHE 51 HN PHE 51 5.980 -6.708 2.444 400 HA PHE 51 HA PHE 51 4.543 -4.244 2.693 401 HB2 PHE 51 HB2 PHE 51 5.762 -2.963 4.173 402 HB3 PHE 51 HB1 PHE 51 5.998 -4.540 4.853 403 HD1 PHE 51 HD1 PHE 51 8.270 -5.602 4.810 404 HD2 PHE 51 HD2 PHE 51 7.645 -1.589 3.450 405 HE1 PHE 51 HE1 PHE 51 10.652 -5.137 4.965 406 HE2 PHE 51 HE2 PHE 51 10.042 -1.194 3.581 407 HZ PHE 51 HZ PHE 51 11.548 -2.961 4.334 408 H ALA 52 HN ALA 52 4.681 -3.160 0.571 409 HA ALA 52 HA ALA 52 7.421 -2.617 -0.407 410 HB1 ALA 52 HB1 ALA 52 6.525 -2.753 -2.781 411 HB2 ALA 52 HB2 ALA 52 5.129 -3.594 -2.133 412 HB3 ALA 52 HB3 ALA 52 6.732 -4.289 -1.971 413 H PHE 53 HN PHE 53 7.694 -0.477 -1.100 414 HA PHE 53 HA PHE 53 5.547 1.398 -0.734 415 HB2 PHE 53 HB2 PHE 53 8.488 1.774 -1.227 416 HB3 PHE 53 HB1 PHE 53 7.377 3.130 -1.205 417 HD1 PHE 53 HD2 PHE 53 8.973 0.497 0.899 418 HD2 PHE 53 HD1 PHE 53 6.622 4.064 0.924 419 HE1 PHE 53 HE2 PHE 53 9.341 0.717 3.268 420 HE2 PHE 53 HE1 PHE 53 7.021 4.243 3.334 421 HZ PHE 53 HZ PHE 53 8.360 2.585 4.508 422 H VAL 54 HN VAL 54 4.657 2.869 -2.547 423 HA VAL 54 HA VAL 54 5.612 2.276 -5.271 424 HB VAL 54 HB VAL 54 2.588 2.277 -4.791 425 HG11 VAL 54 HG11 VAL 54 2.082 1.694 -6.934 426 HG12 VAL 54 HG12 VAL 54 3.738 1.342 -7.342 427 HG13 VAL 54 HG13 VAL 54 3.237 3.011 -7.081 428 HG21 VAL 54 HG21 VAL 54 4.311 -0.107 -5.008 429 HG22 VAL 54 HG22 VAL 54 2.711 -0.109 -5.707 430 HG23 VAL 54 HG23 VAL 54 2.900 0.188 -3.997 431 H GLU 55 HN GLU 55 6.312 4.545 -5.923 432 HA GLU 55 HA GLU 55 4.472 6.714 -5.318 433 HB2 GLU 55 HB2 GLU 55 7.214 6.436 -6.000 434 HB3 GLU 55 HB1 GLU 55 6.496 7.566 -7.118 435 HG2 GLU 55 HG2 GLU 55 6.293 7.966 -4.139 436 HG3 GLU 55 HG1 GLU 55 7.700 8.456 -5.039 437 H TYR 56 HN TYR 56 3.022 7.803 -6.788 438 HA TYR 56 HA TYR 56 2.711 6.770 -9.546 439 HB2 TYR 56 HB2 TYR 56 0.854 7.557 -7.518 440 HB3 TYR 56 HB1 TYR 56 0.672 8.638 -8.880 441 HD1 TYR 56 HD2 TYR 56 1.021 4.853 -8.560 442 HD2 TYR 56 HD1 TYR 56 -1.094 8.203 -10.129 443 HE1 TYR 56 HE2 TYR 56 -0.578 3.364 -9.549 444 HE2 TYR 56 HE1 TYR 56 -2.658 6.716 -11.174 445 HH TYR 56 HH TYR 56 -2.793 3.329 -10.483 446 H VAL 57 HN VAL 57 2.576 8.392 -11.433 447 HA VAL 57 HA VAL 57 3.859 10.884 -10.941 448 HB VAL 57 HB VAL 57 2.843 9.674 -13.492 449 HG11 VAL 57 HG11 VAL 57 1.781 11.757 -13.903 450 HG12 VAL 57 HG12 VAL 57 3.308 11.791 -14.755 451 HG13 VAL 57 HG13 VAL 57 3.136 12.663 -13.242 452 HG21 VAL 57 HG21 VAL 57 4.935 10.417 -14.398 453 HG22 VAL 57 HG22 VAL 57 5.247 9.649 -12.861 454 HG23 VAL 57 HG23 VAL 57 5.261 11.397 -12.982 455 H GLU 58 HN GLU 58 0.145 10.561 -11.454 456 HA GLU 58 HA GLU 58 0.189 13.475 -11.045 457 HB2 GLU 58 HB2 GLU 58 -1.754 11.791 -12.628 458 HB3 GLU 58 HB1 GLU 58 -2.231 13.360 -12.041 459 HG2 GLU 58 HG2 GLU 58 -0.356 12.668 -14.246 460 HG3 GLU 58 HG1 GLU 58 -1.684 13.821 -14.179 461 H VAL 59 HN VAL 59 -1.511 14.522 -9.673 462 HA VAL 59 HA VAL 59 -1.923 12.821 -7.407 463 HB VAL 59 HB VAL 59 -1.450 14.512 -6.160 464 HG11 VAL 59 HG11 VAL 59 -1.465 16.452 -8.425 465 HG12 VAL 59 HG12 VAL 59 -0.114 15.429 -7.940 466 HG13 VAL 59 HG13 VAL 59 -0.720 16.658 -6.848 467 HG21 VAL 59 HG21 VAL 59 -2.708 16.460 -5.639 468 HG22 VAL 59 HG22 VAL 59 -3.831 15.127 -5.844 469 HG23 VAL 59 HG23 VAL 59 -3.637 16.335 -7.119 470 H ASP 60 HN ASP 60 -4.380 14.116 -9.696 471 HA ASP 60 HA ASP 60 -6.642 13.261 -8.174 472 HB2 ASP 60 HB2 ASP 60 -6.993 14.622 -10.207 473 HB3 ASP 60 HB1 ASP 60 -6.494 13.256 -11.211 474 H ASP 61 HN ASP 61 -5.045 11.419 -10.847 475 HA ASP 61 HA ASP 61 -6.275 9.033 -10.673 476 HB2 ASP 61 HB2 ASP 61 -3.286 9.203 -11.264 477 HB3 ASP 61 HB1 ASP 61 -4.444 7.980 -11.807 478 H ALA 62 HN ALA 62 -3.574 9.829 -8.427 479 HA ALA 62 HA ALA 62 -3.204 7.724 -6.893 480 HB1 ALA 62 HB1 ALA 62 -2.378 9.871 -6.157 481 HB2 ALA 62 HB2 ALA 62 -3.227 9.122 -4.834 482 HB3 ALA 62 HB3 ALA 62 -3.979 10.423 -5.738 483 H LYS 63 HN LYS 63 -5.983 9.819 -6.208 484 HA LYS 63 HA LYS 63 -7.238 8.154 -4.318 485 HB2 LYS 63 HB2 LYS 63 -8.621 10.364 -5.893 486 HB3 LYS 63 HB1 LYS 63 -9.350 9.429 -4.616 487 HG2 LYS 63 HG2 LYS 63 -8.715 11.398 -3.554 488 HG3 LYS 63 HG1 LYS 63 -7.491 10.242 -3.071 489 HD2 LYS 63 HD2 LYS 63 -5.909 11.231 -4.659 490 HD3 LYS 63 HD1 LYS 63 -7.149 12.357 -5.221 491 HE2 LYS 63 HE2 LYS 63 -7.287 13.143 -2.808 492 HE3 LYS 63 HE1 LYS 63 -5.797 12.237 -2.545 493 HZ1 LYS 63 HZ1 LYS 63 -5.286 14.514 -3.044 494 HZ2 LYS 63 HZ2 LYS 63 -6.185 14.461 -4.474 495 HZ3 LYS 63 HZ3 LYS 63 -4.769 13.545 -4.331 496 H HIS 64 HN HIS 64 -8.369 8.440 -7.779 497 HA HIS 64 HA HIS 64 -10.269 6.429 -7.405 498 HB2 HIS 64 HB2 HIS 64 -9.213 7.236 -10.156 499 HB3 HIS 64 HB1 HIS 64 -10.591 6.226 -9.810 500 HD1 HIS 64 HD1 HIS 64 -9.487 9.805 -9.676 501 HD2 HIS 64 HD2 HIS 64 -12.914 7.524 -9.038 502 HE1 HIS 64 HE1 HIS 64 -11.366 11.453 -9.441 503 HE2 HIS 64 HE2 HIS 64 -13.441 10.044 -9.191 504 H ALA 65 HN ALA 65 -6.811 5.913 -8.314 505 HA ALA 65 HA ALA 65 -7.313 3.156 -8.801 506 HB1 ALA 65 HB1 ALA 65 -5.309 3.893 -9.738 507 HB2 ALA 65 HB2 ALA 65 -4.879 2.716 -8.509 508 HB3 ALA 65 HB3 ALA 65 -4.651 4.429 -8.194 509 H LEU 66 HN LEU 66 -5.894 4.487 -5.695 510 HA LEU 66 HA LEU 66 -5.945 2.040 -4.469 511 HB2 LEU 66 HB2 LEU 66 -4.758 2.966 -2.881 512 HB3 LEU 66 HB1 LEU 66 -5.057 4.523 -3.531 513 HG LEU 66 HG LEU 66 -7.038 4.650 -1.830 514 HD11 LEU 66 HD11 LEU 66 -6.979 3.276 0.072 515 HD12 LEU 66 HD12 LEU 66 -5.460 2.536 -0.407 516 HD13 LEU 66 HD13 LEU 66 -6.933 2.159 -1.286 517 HD21 LEU 66 HD21 LEU 66 -5.128 6.014 -1.389 518 HD22 LEU 66 HD22 LEU 66 -4.156 4.622 -0.962 519 HD23 LEU 66 HD23 LEU 66 -5.471 5.124 0.090 520 H TYR 67 HN TYR 67 -8.822 4.236 -4.418 521 HA TYR 67 HA TYR 67 -10.358 2.526 -2.830 522 HB2 TYR 67 HB2 TYR 67 -10.806 4.897 -4.001 523 HB3 TYR 67 HB1 TYR 67 -11.681 3.875 -5.135 524 HD1 TYR 67 HD2 TYR 67 -11.528 5.107 -1.653 525 HD2 TYR 67 HD1 TYR 67 -13.744 2.803 -4.491 526 HE1 TYR 67 HE2 TYR 67 -13.435 5.058 -0.125 527 HE2 TYR 67 HE1 TYR 67 -15.658 2.775 -2.955 528 HH TYR 67 HH TYR 67 -16.219 3.078 -0.726 529 H ASN 68 HN ASN 68 -10.038 2.379 -6.413 530 HA ASN 68 HA ASN 68 -11.525 -0.042 -6.696 531 HB2 ASN 68 HB2 ASN 68 -10.953 1.632 -8.600 532 HB3 ASN 68 HB1 ASN 68 -9.408 0.784 -8.741 533 HD21 ASN 68 HD21 ASN 68 -9.337 -1.226 -9.630 534 HD22 ASN 68 HD22 ASN 68 -10.680 -1.955 -10.416 535 H MET 69 HN MET 69 -8.550 0.093 -5.109 536 HA MET 69 HA MET 69 -7.421 -2.188 -6.591 537 HB2 MET 69 HB2 MET 69 -6.134 0.029 -5.048 538 HB3 MET 69 HB1 MET 69 -5.325 -1.526 -5.055 539 HG2 MET 69 HG2 MET 69 -6.055 0.089 -7.515 540 HG3 MET 69 HG1 MET 69 -4.467 -0.046 -6.785 541 HE1 MET 69 HE1 MET 69 -5.701 -0.827 -9.908 542 HE2 MET 69 HE2 MET 69 -4.474 -2.044 -10.246 543 HE3 MET 69 HE3 MET 69 -4.015 -0.526 -9.476 544 H ASN 70 HN ASN 70 -9.122 -1.462 -3.834 545 HA ASN 70 HA ASN 70 -8.072 -3.551 -2.123 546 HB2 ASN 70 HB2 ASN 70 -10.713 -2.043 -1.833 547 HB3 ASN 70 HB1 ASN 70 -9.941 -3.059 -0.636 548 HD21 ASN 70 HD21 ASN 70 -7.229 -2.120 -1.151 549 HD22 ASN 70 HD22 ASN 70 -7.145 -0.511 -0.521 550 H ASN 71 HN ASN 71 -10.996 -3.272 -4.227 551 HA ASN 71 HA ASN 71 -11.563 -6.076 -3.801 552 HB2 ASN 71 HB2 ASN 71 -13.445 -5.763 -5.338 553 HB3 ASN 71 HB1 ASN 71 -13.418 -4.524 -4.088 554 HD21 ASN 71 HD21 ASN 71 -13.183 -2.363 -4.687 555 HD22 ASN 71 HD22 ASN 71 -13.205 -1.858 -6.341 556 H PHE 72 HN PHE 72 -8.978 -5.215 -5.254 557 HA PHE 72 HA PHE 72 -9.422 -6.677 -7.772 558 HB2 PHE 72 HB2 PHE 72 -8.779 -4.461 -8.352 559 HB3 PHE 72 HB1 PHE 72 -7.575 -4.383 -7.092 560 HD1 PHE 72 HD1 PHE 72 -8.315 -5.852 -10.409 561 HD2 PHE 72 HD2 PHE 72 -5.351 -4.968 -7.495 562 HE1 PHE 72 HE1 PHE 72 -6.539 -6.361 -12.057 563 HE2 PHE 72 HE2 PHE 72 -3.590 -5.449 -9.123 564 HZ PHE 72 HZ PHE 72 -4.173 -6.164 -11.402 565 H GLU 73 HN GLU 73 -7.672 -8.262 -8.457 566 HA GLU 73 HA GLU 73 -6.207 -9.272 -6.182 567 HB2 GLU 73 HB2 GLU 73 -7.242 -11.286 -6.176 568 HB3 GLU 73 HB1 GLU 73 -8.481 -10.527 -7.114 569 HG2 GLU 73 HG2 GLU 73 -7.077 -11.407 -9.143 570 HG3 GLU 73 HG1 GLU 73 -6.356 -12.410 -7.914 571 H LEU 74 HN LEU 74 -3.972 -9.553 -6.577 572 HA LEU 74 HA LEU 74 -3.021 -9.074 -9.326 573 HB2 LEU 74 HB2 LEU 74 -2.173 -8.029 -6.785 574 HB3 LEU 74 HB1 LEU 74 -0.814 -8.969 -7.390 575 HG LEU 74 HG LEU 74 -2.165 -6.758 -8.962 576 HD11 LEU 74 HD11 LEU 74 0.189 -6.706 -7.108 577 HD12 LEU 74 HD12 LEU 74 -1.251 -5.684 -7.086 578 HD13 LEU 74 HD13 LEU 74 -0.054 -5.502 -8.366 579 HD21 LEU 74 HD21 LEU 74 -0.056 -6.713 -10.245 580 HD22 LEU 74 HD22 LEU 74 -0.930 -8.219 -10.453 581 HD23 LEU 74 HD23 LEU 74 0.479 -8.158 -9.394 582 H ASN 75 HN ASN 75 -2.558 -11.108 -10.427 583 HA ASN 75 HA ASN 75 -1.804 -13.274 -10.768 584 HB2 ASN 75 HB2 ASN 75 0.250 -12.402 -8.647 585 HB3 ASN 75 HB1 ASN 75 0.361 -13.913 -9.533 586 HD21 ASN 75 HD21 ASN 75 2.563 -13.211 -10.281 587 HD22 ASN 75 HD22 ASN 75 2.668 -12.044 -11.563 588 H GLY 76 HN GLY 76 -4.076 -13.428 -9.345 589 HA2 GLY 76 HA2 GLY 76 -5.383 -14.728 -8.042 590 HA3 GLY 76 HA1 GLY 76 -4.071 -15.851 -8.050 591 H LYS 77 HN LYS 77 -3.890 -12.688 -6.536 592 HA LYS 77 HA LYS 77 -3.927 -13.903 -3.923 593 HB2 LYS 77 HB2 LYS 77 -1.559 -14.041 -4.410 594 HB3 LYS 77 HB1 LYS 77 -1.478 -12.379 -4.949 595 HG2 LYS 77 HG2 LYS 77 -1.797 -11.568 -2.706 596 HG3 LYS 77 HG1 LYS 77 -2.010 -13.209 -2.081 597 HD2 LYS 77 HD2 LYS 77 0.475 -12.332 -3.519 598 HD3 LYS 77 HD1 LYS 77 0.273 -12.121 -1.784 599 HE2 LYS 77 HE2 LYS 77 0.252 -14.775 -3.259 600 HE3 LYS 77 HE1 LYS 77 1.602 -14.106 -2.344 601 HZ1 LYS 77 HZ1 LYS 77 0.427 -15.676 -0.992 602 HZ2 LYS 77 HZ2 LYS 77 -1.047 -14.851 -1.227 603 HZ3 LYS 77 HZ3 LYS 77 0.199 -14.122 -0.355 604 H ARG 78 HN ARG 78 -4.213 -12.261 -2.158 605 HA ARG 78 HA ARG 78 -5.750 -9.982 -3.220 606 HB2 ARG 78 HB2 ARG 78 -6.904 -11.486 -1.484 607 HB3 ARG 78 HB1 ARG 78 -5.759 -10.901 -0.281 608 HG2 ARG 78 HG2 ARG 78 -7.612 -9.645 0.145 609 HG3 ARG 78 HG1 ARG 78 -6.689 -8.550 -0.879 610 HD2 ARG 78 HD2 ARG 78 -8.913 -8.452 -1.676 611 HD3 ARG 78 HD1 ARG 78 -8.070 -9.486 -2.814 612 HE ARG 78 HE ARG 78 -9.303 -10.994 -0.743 613 HH11 ARG 78 HH12 ARG 78 -9.915 -9.419 -3.829 614 HH12 ARG 78 HH11 ARG 78 -11.293 -10.406 -4.198 615 HH21 ARG 78 HH22 ARG 78 -11.167 -12.232 -1.206 616 HH22 ARG 78 HH21 ARG 78 -12.001 -12.004 -2.709 617 H ILE 79 HN ILE 79 -4.797 -7.781 -2.931 618 HA ILE 79 HA ILE 79 -2.395 -7.732 -1.134 619 HB ILE 79 HB ILE 79 -1.397 -5.879 -2.339 620 HG12 ILE 79 HG12 ILE 79 -3.303 -4.526 -3.159 621 HG13 ILE 79 HG11 ILE 79 -2.067 -4.790 -4.372 622 HG21 ILE 79 HG21 ILE 79 -1.459 -6.898 -4.879 623 HG22 ILE 79 HG22 ILE 79 -1.736 -8.315 -3.873 624 HG23 ILE 79 HG23 ILE 79 -0.327 -7.295 -3.606 625 HD11 ILE 79 HD11 ILE 79 -3.512 -6.575 -5.347 626 HD12 ILE 79 HD12 ILE 79 -4.125 -4.929 -5.451 627 HD13 ILE 79 HD13 ILE 79 -4.785 -6.027 -4.250 628 H HIS 80 HN HIS 80 -2.430 -6.481 0.564 629 HA HIS 80 HA HIS 80 -4.856 -4.946 1.229 630 HB2 HIS 80 HB2 HIS 80 -3.284 -6.348 2.898 631 HB3 HIS 80 HB1 HIS 80 -2.348 -4.864 3.022 632 HD1 HIS 80 HD1 HIS 80 -2.847 -3.618 4.972 633 HD2 HIS 80 HD2 HIS 80 -6.319 -5.519 3.606 634 HE1 HIS 80 HE1 HIS 80 -4.637 -3.074 6.639 635 HE2 HIS 80 HE2 HIS 80 -6.624 -4.434 5.914 636 H VAL 81 HN VAL 81 -5.119 -2.686 0.680 637 HA VAL 81 HA VAL 81 -2.680 -1.223 -0.106 638 HB VAL 81 HB VAL 81 -5.470 -0.894 -1.322 639 HG11 VAL 81 HG11 VAL 81 -4.354 0.225 -3.190 640 HG12 VAL 81 HG12 VAL 81 -2.877 0.267 -2.259 641 HG13 VAL 81 HG13 VAL 81 -4.304 1.116 -1.680 642 HG21 VAL 81 HG21 VAL 81 -3.672 -2.987 -1.916 643 HG22 VAL 81 HG22 VAL 81 -3.618 -1.871 -3.265 644 HG23 VAL 81 HG23 VAL 81 -5.137 -2.558 -2.752 645 H ASN 82 HN ASN 82 -2.202 0.614 1.344 646 HA ASN 82 HA ASN 82 -4.457 2.305 2.262 647 HB2 ASN 82 HB2 ASN 82 -2.608 1.830 4.528 648 HB3 ASN 82 HB1 ASN 82 -4.363 1.827 4.499 649 HD21 ASN 82 HD21 ASN 82 -5.482 -0.044 4.189 650 HD22 ASN 82 HD22 ASN 82 -4.739 -1.590 4.371 651 H TYR 83 HN TYR 83 -3.462 4.440 3.514 652 HA TYR 83 HA TYR 83 -1.559 5.503 1.688 653 HB2 TYR 83 HB2 TYR 83 -3.334 7.033 2.149 654 HB3 TYR 83 HB1 TYR 83 -3.270 6.726 3.888 655 HD1 TYR 83 HD1 TYR 83 -1.146 8.350 1.131 656 HD2 TYR 83 HD2 TYR 83 -2.332 8.388 5.234 657 HE1 TYR 83 HE1 TYR 83 0.154 10.367 1.487 658 HE2 TYR 83 HE2 TYR 83 -1.035 10.441 5.561 659 HH TYR 83 HH TYR 83 0.304 12.238 2.957 660 H SER 84 HN SER 84 0.454 7.103 2.742 661 HA SER 84 HA SER 84 1.897 5.214 4.467 662 HB2 SER 84 HB2 SER 84 2.533 6.408 1.870 663 HB3 SER 84 HB1 SER 84 3.810 6.657 3.041 664 HG SER 84 HG SER 84 4.107 4.714 1.920 665 H LYS 85 HN LYS 85 4.075 6.418 5.214 666 HA LYS 85 HA LYS 85 3.144 8.780 6.738 667 HB2 LYS 85 HB2 LYS 85 5.659 7.638 7.779 668 HB3 LYS 85 HB1 LYS 85 4.151 7.977 8.612 669 HG2 LYS 85 HG2 LYS 85 3.312 5.720 7.538 670 HG3 LYS 85 HG1 LYS 85 5.033 5.380 7.352 671 HD2 LYS 85 HD2 LYS 85 5.345 5.094 9.586 672 HD3 LYS 85 HD1 LYS 85 4.223 6.381 10.028 673 HE2 LYS 85 HE2 LYS 85 3.536 3.537 9.227 674 HE3 LYS 85 HE1 LYS 85 3.324 4.297 10.799 675 HZ1 LYS 85 HZ1 LYS 85 1.219 4.256 9.741 676 HZ2 LYS 85 HZ2 LYS 85 1.827 4.924 8.316 677 HZ3 LYS 85 HZ3 LYS 85 1.743 5.865 9.718 678 H THR 86 HN THR 86 4.190 10.808 6.347 679 HA THR 86 HA THR 86 6.580 10.678 4.657 680 HB THR 86 HB THR 86 5.389 12.594 3.280 681 HG1 THR 86 HG1 THR 86 3.276 12.710 3.478 682 HG21 THR 86 HG21 THR 86 6.078 10.570 2.161 683 HG22 THR 86 HG22 THR 86 4.415 10.937 1.696 684 HG23 THR 86 HG23 THR 86 4.734 9.665 2.869 Start of MODEL 15 1 H1 GLY -2 HT1 GLY -2 -6.630 -5.531 12.251 2 H2 GLY -2 HT2 GLY -2 -6.231 -5.409 13.889 3 H3 GLY -2 HT3 GLY -2 -5.139 -6.103 12.801 4 HA2 GLY -2 HA1 GLY -2 -6.012 -3.268 12.790 5 HA3 GLY -2 HA2 GLY -2 -4.471 -3.852 13.400 6 H SER -1 HN SER -1 -4.309 -1.963 11.557 7 HA SER -1 HA SER -1 -3.161 -3.315 9.255 8 HB2 SER -1 HB2 SER -1 -5.394 -1.287 9.005 9 HB3 SER -1 HB1 SER -1 -4.304 -1.671 7.677 10 HG SER -1 HG SER -1 -5.379 -3.891 8.867 11 H HIS 0 HN HIS 0 -2.524 -1.119 7.682 12 HA HIS 0 HA HIS 0 -0.489 0.232 9.226 13 HB2 HIS 0 HB2 HIS 0 -0.182 -0.660 6.858 14 HB3 HIS 0 HB1 HIS 0 -1.193 0.655 6.301 15 HD1 HIS 0 HD1 HIS 0 2.217 -0.036 7.779 16 HD2 HIS 0 HD2 HIS 0 0.121 3.063 5.959 17 HE1 HIS 0 HE1 HIS 0 3.949 1.670 7.142 18 HE2 HIS 0 HE2 HIS 0 2.679 3.427 5.860 19 H MET 1 HN MET 1 -3.662 0.987 8.037 20 HA MET 1 HA MET 1 -5.140 2.616 8.542 21 HB2 MET 1 HB2 MET 1 -3.057 3.125 10.565 22 HB3 MET 1 HB1 MET 1 -3.832 4.620 10.026 23 HG2 MET 1 HG2 MET 1 -5.024 2.296 11.508 24 HG3 MET 1 HG1 MET 1 -5.085 4.017 11.866 25 HE1 MET 1 HE1 MET 1 -7.667 2.462 12.262 26 HE2 MET 1 HE2 MET 1 -8.858 3.430 11.393 27 HE3 MET 1 HE3 MET 1 -7.605 4.221 12.347 28 H SER 2 HN SER 2 -5.943 4.169 7.272 29 HA SER 2 HA SER 2 -4.318 5.785 5.575 30 HB2 SER 2 HB2 SER 2 -6.874 6.936 5.668 31 HB3 SER 2 HB1 SER 2 -6.374 5.685 4.516 32 HG SER 2 HG SER 2 -8.291 5.185 5.793 33 H ASP 3 HN ASP 3 -2.882 6.989 6.965 34 HA ASP 3 HA ASP 3 -3.520 8.682 9.035 35 HB2 ASP 3 HB2 ASP 3 -1.233 8.206 8.237 36 HB3 ASP 3 HB1 ASP 3 -1.508 9.227 6.830 37 H ASN 4 HN ASN 4 -3.797 9.483 5.556 38 HA ASN 4 HA ASN 4 -6.030 11.194 6.139 39 HB2 ASN 4 HB2 ASN 4 -5.207 13.224 4.908 40 HB3 ASN 4 HB1 ASN 4 -4.378 12.942 6.428 41 HD21 ASN 4 HD21 ASN 4 -2.227 12.641 6.443 42 HD22 ASN 4 HD22 ASN 4 -1.237 12.684 5.027 43 H ASN 5 HN ASN 5 -6.249 12.508 3.658 44 HA ASN 5 HA ASN 5 -7.709 10.487 2.348 45 HB2 ASN 5 HB2 ASN 5 -7.088 13.340 1.517 46 HB3 ASN 5 HB1 ASN 5 -8.191 12.308 0.618 47 HD21 ASN 5 HD21 ASN 5 -8.623 14.823 2.061 48 HD22 ASN 5 HD22 ASN 5 -9.882 14.501 3.201 49 H ALA 6 HN ALA 6 -4.406 11.301 1.717 50 HA ALA 6 HA ALA 6 -2.906 10.089 0.574 51 HB1 ALA 6 HB1 ALA 6 -3.313 8.326 -0.943 52 HB2 ALA 6 HB2 ALA 6 -4.978 8.826 -1.210 53 HB3 ALA 6 HB3 ALA 6 -4.502 8.139 0.343 54 H THR 7 HN THR 7 -2.095 12.011 -0.132 55 HA THR 7 HA THR 7 -2.571 12.270 -3.031 56 HB THR 7 HB THR 7 -2.837 14.427 -2.087 57 HG1 THR 7 HG1 THR 7 -0.183 14.473 -3.102 58 HG21 THR 7 HG21 THR 7 -0.188 14.015 -0.714 59 HG22 THR 7 HG22 THR 7 -1.765 14.258 0.036 60 HG23 THR 7 HG23 THR 7 -0.997 15.575 -0.841 61 H ASP 8 HN ASP 8 -0.962 11.545 -4.418 62 HA ASP 8 HA ASP 8 0.860 10.869 -5.422 63 HB2 ASP 8 HB2 ASP 8 2.510 12.577 -5.491 64 HB3 ASP 8 HB1 ASP 8 1.171 13.402 -4.774 65 H ILE 9 HN ILE 9 0.339 9.433 -2.630 66 HA ILE 9 HA ILE 9 2.828 7.965 -2.383 67 HB ILE 9 HB ILE 9 1.591 9.260 0.082 68 HG12 ILE 9 HG12 ILE 9 4.308 9.906 -1.067 69 HG13 ILE 9 HG11 ILE 9 2.892 10.617 -1.705 70 HG21 ILE 9 HG21 ILE 9 4.200 7.748 -0.040 71 HG22 ILE 9 HG22 ILE 9 2.686 7.017 0.443 72 HG23 ILE 9 HG23 ILE 9 3.356 8.325 1.384 73 HD11 ILE 9 HD11 ILE 9 4.207 11.156 0.871 74 HD12 ILE 9 HD12 ILE 9 2.486 11.480 0.680 75 HD13 ILE 9 HD13 ILE 9 3.650 12.258 -0.381 76 H LEU 10 HN LEU 10 2.329 5.818 -2.630 77 HA LEU 10 HA LEU 10 -0.280 4.925 -1.563 78 HB2 LEU 10 HB2 LEU 10 0.755 4.952 -4.319 79 HB3 LEU 10 HB1 LEU 10 0.205 3.369 -3.804 80 HG LEU 10 HG LEU 10 -1.455 5.020 -5.075 81 HD11 LEU 10 HD11 LEU 10 -2.344 3.402 -2.733 82 HD12 LEU 10 HD12 LEU 10 -1.898 2.769 -4.329 83 HD13 LEU 10 HD13 LEU 10 -3.266 3.849 -4.139 84 HD21 LEU 10 HD21 LEU 10 -2.278 5.754 -2.239 85 HD22 LEU 10 HD22 LEU 10 -2.876 6.400 -3.748 86 HD23 LEU 10 HD23 LEU 10 -1.281 6.857 -3.183 87 H PHE 11 HN PHE 11 0.244 3.486 0.121 88 HA PHE 11 HA PHE 11 2.348 1.573 -0.050 89 HB2 PHE 11 HB2 PHE 11 1.769 2.478 2.067 90 HB3 PHE 11 HB1 PHE 11 0.091 2.016 1.903 91 HD1 PHE 11 HD1 PHE 11 3.484 0.879 2.773 92 HD2 PHE 11 HD2 PHE 11 -0.663 -0.148 2.569 93 HE1 PHE 11 HE1 PHE 11 3.851 -0.936 4.334 94 HE2 PHE 11 HE2 PHE 11 -0.269 -1.985 4.134 95 HZ PHE 11 HZ PHE 11 1.994 -2.405 5.012 96 H VAL 12 HN VAL 12 2.224 -0.650 -0.301 97 HA VAL 12 HA VAL 12 -0.237 -1.818 -1.434 98 HB VAL 12 HB VAL 12 2.479 -2.147 -2.843 99 HG11 VAL 12 HG11 VAL 12 1.416 -4.353 -2.742 100 HG12 VAL 12 HG12 VAL 12 1.558 -3.735 -4.379 101 HG13 VAL 12 HG13 VAL 12 0.004 -3.696 -3.567 102 HG21 VAL 12 HG21 VAL 12 0.785 -0.203 -3.560 103 HG22 VAL 12 HG22 VAL 12 0.015 -1.525 -4.425 104 HG23 VAL 12 HG23 VAL 12 1.685 -1.136 -4.740 105 H GLY 13 HN GLY 13 -0.355 -4.427 -1.026 106 HA2 GLY 13 HA2 GLY 13 0.914 -4.922 1.576 107 HA3 GLY 13 HA1 GLY 13 -0.484 -5.750 0.934 108 H GLY 14 HN GLY 14 0.763 -7.647 1.760 109 HA2 GLY 14 HA2 GLY 14 3.010 -8.501 0.373 110 HA3 GLY 14 HA1 GLY 14 1.924 -9.536 1.222 111 H ILE 15 HN ILE 15 3.422 -9.394 -1.493 112 HA ILE 15 HA ILE 15 1.126 -10.184 -3.130 113 HB ILE 15 HB ILE 15 3.475 -9.653 -4.751 114 HG12 ILE 15 HG12 ILE 15 2.844 -7.663 -2.654 115 HG13 ILE 15 HG11 ILE 15 4.290 -7.861 -3.609 116 HG21 ILE 15 HG21 ILE 15 1.923 -8.513 -6.131 117 HG22 ILE 15 HG22 ILE 15 0.796 -8.290 -4.800 118 HG23 ILE 15 HG23 ILE 15 1.077 -9.904 -5.451 119 HD11 ILE 15 HD11 ILE 15 3.633 -5.788 -4.166 120 HD12 ILE 15 HD12 ILE 15 1.928 -6.173 -4.086 121 HD13 ILE 15 HD13 ILE 15 2.889 -6.704 -5.466 122 H ASP 16 HN ASP 16 1.536 -11.893 -4.792 123 HA ASP 16 HA ASP 16 2.640 -14.224 -3.638 124 HB2 ASP 16 HB2 ASP 16 0.985 -14.878 -5.014 125 HB3 ASP 16 HB1 ASP 16 1.173 -13.534 -6.124 126 H GLU 17 HN GLU 17 4.340 -15.690 -4.744 127 HA GLU 17 HA GLU 17 6.676 -13.981 -4.774 128 HB2 GLU 17 HB2 GLU 17 7.992 -16.138 -4.386 129 HB3 GLU 17 HB1 GLU 17 6.798 -15.743 -3.148 130 HG2 GLU 17 HG2 GLU 17 5.236 -17.366 -4.383 131 HG3 GLU 17 HG1 GLU 17 6.685 -17.900 -5.242 132 H THR 18 HN THR 18 5.071 -15.075 -7.583 133 HA THR 18 HA THR 18 7.681 -15.176 -8.923 134 HB THR 18 HB THR 18 6.095 -17.077 -9.464 135 HG1 THR 18 HG1 THR 18 7.908 -16.000 -10.833 136 HG21 THR 18 HG21 THR 18 4.588 -16.685 -11.445 137 HG22 THR 18 HG22 THR 18 4.657 -14.963 -11.104 138 HG23 THR 18 HG23 THR 18 3.943 -16.071 -9.930 139 H ILE 19 HN ILE 19 6.123 -12.614 -8.039 140 HA ILE 19 HA ILE 19 6.200 -11.195 -10.603 141 HB ILE 19 HB ILE 19 5.538 -9.109 -9.194 142 HG12 ILE 19 HG12 ILE 19 4.340 -9.338 -7.134 143 HG13 ILE 19 HG11 ILE 19 4.290 -11.077 -7.249 144 HG21 ILE 19 HG21 ILE 19 3.356 -11.184 -9.540 145 HG22 ILE 19 HG22 ILE 19 4.013 -10.181 -10.821 146 HG23 ILE 19 HG23 ILE 19 3.184 -9.436 -9.467 147 HD11 ILE 19 HD11 ILE 19 5.782 -10.623 -5.528 148 HD12 ILE 19 HD12 ILE 19 6.568 -9.311 -6.408 149 HD13 ILE 19 HD13 ILE 19 6.824 -10.974 -6.897 150 H ASP 20 HN ASP 20 7.443 -9.085 -10.666 151 HA ASP 20 HA ASP 20 9.758 -8.980 -8.900 152 HB2 ASP 20 HB2 ASP 20 9.715 -9.029 -11.896 153 HB3 ASP 20 HB1 ASP 20 11.092 -8.407 -11.036 154 H GLU 21 HN GLU 21 11.018 -6.785 -9.280 155 HA GLU 21 HA GLU 21 9.653 -4.442 -8.947 156 HB2 GLU 21 HB2 GLU 21 12.202 -4.752 -8.851 157 HB3 GLU 21 HB1 GLU 21 12.216 -4.561 -10.585 158 HG2 GLU 21 HG2 GLU 21 11.168 -2.360 -8.848 159 HG3 GLU 21 HG1 GLU 21 12.888 -2.598 -9.084 160 H LYS 22 HN LYS 22 10.915 -5.234 -12.182 161 HA LYS 22 HA LYS 22 9.712 -3.087 -13.418 162 HB2 LYS 22 HB2 LYS 22 10.318 -5.215 -15.303 163 HB3 LYS 22 HB1 LYS 22 10.944 -3.594 -15.217 164 HG2 LYS 22 HG2 LYS 22 12.832 -4.958 -15.125 165 HG3 LYS 22 HG1 LYS 22 12.614 -4.523 -13.434 166 HD2 LYS 22 HD2 LYS 22 11.529 -6.713 -13.041 167 HD3 LYS 22 HD1 LYS 22 11.695 -7.101 -14.751 168 HE2 LYS 22 HE2 LYS 22 13.964 -6.619 -12.813 169 HE3 LYS 22 HE1 LYS 22 13.460 -8.178 -13.464 170 HZ1 LYS 22 HZ1 LYS 22 14.093 -7.453 -15.660 171 HZ2 LYS 22 HZ2 LYS 22 15.406 -7.269 -14.609 172 HZ3 LYS 22 HZ3 LYS 22 14.507 -5.918 -15.085 173 H SER 23 HN SER 23 8.446 -6.392 -13.087 174 HA SER 23 HA SER 23 6.322 -6.161 -14.871 175 HB2 SER 23 HB2 SER 23 5.911 -7.785 -12.423 176 HB3 SER 23 HB1 SER 23 5.701 -8.214 -14.109 177 HG SER 23 HG SER 23 7.511 -9.235 -13.839 178 H LEU 24 HN LEU 24 6.443 -5.239 -11.415 179 HA LEU 24 HA LEU 24 3.639 -4.595 -11.190 180 HB2 LEU 24 HB2 LEU 24 5.885 -3.855 -9.261 181 HB3 LEU 24 HB1 LEU 24 4.210 -3.499 -9.017 182 HG LEU 24 HG LEU 24 5.164 -6.327 -9.442 183 HD11 LEU 24 HD11 LEU 24 6.372 -5.453 -7.422 184 HD12 LEU 24 HD12 LEU 24 5.178 -6.677 -7.007 185 HD13 LEU 24 HD13 LEU 24 4.815 -4.979 -6.737 186 HD21 LEU 24 HD21 LEU 24 2.681 -5.719 -9.588 187 HD22 LEU 24 HD22 LEU 24 2.782 -5.442 -7.851 188 HD23 LEU 24 HD23 LEU 24 3.128 -7.027 -8.510 189 H TYR 25 HN TYR 25 6.266 -2.838 -12.487 190 HA TYR 25 HA TYR 25 5.234 -0.208 -12.417 191 HB2 TYR 25 HB2 TYR 25 7.631 -0.755 -13.156 192 HB3 TYR 25 HB1 TYR 25 7.022 -1.331 -14.683 193 HD1 TYR 25 HD2 TYR 25 5.192 1.129 -15.402 194 HD2 TYR 25 HD1 TYR 25 9.142 0.849 -13.768 195 HE1 TYR 25 HE2 TYR 25 5.741 3.324 -16.310 196 HE2 TYR 25 HE1 TYR 25 9.673 3.036 -14.703 197 HH TYR 25 HH TYR 25 7.286 5.126 -16.002 198 H ASP 26 HN ASP 26 5.156 -2.498 -15.245 199 HA ASP 26 HA ASP 26 3.512 -1.199 -16.998 200 HB2 ASP 26 HB2 ASP 26 4.791 -3.461 -17.276 201 HB3 ASP 26 HB1 ASP 26 3.222 -4.169 -16.901 202 H ILE 27 HN ILE 27 2.226 -3.543 -14.525 203 HA ILE 27 HA ILE 27 -0.410 -3.253 -15.503 204 HB ILE 27 HB ILE 27 0.149 -4.270 -12.654 205 HG12 ILE 27 HG12 ILE 27 -0.321 -6.388 -14.616 206 HG13 ILE 27 HG11 ILE 27 1.099 -5.495 -15.114 207 HG21 ILE 27 HG21 ILE 27 -1.908 -5.502 -12.953 208 HG22 ILE 27 HG22 ILE 27 -2.065 -4.911 -14.597 209 HG23 ILE 27 HG23 ILE 27 -2.198 -3.800 -13.250 210 HD11 ILE 27 HD11 ILE 27 1.674 -7.446 -13.823 211 HD12 ILE 27 HD12 ILE 27 0.724 -6.902 -12.451 212 HD13 ILE 27 HD13 ILE 27 2.163 -5.999 -12.953 213 H PHE 28 HN PHE 28 1.104 -1.353 -12.714 214 HA PHE 28 HA PHE 28 -1.332 0.184 -12.517 215 HB2 PHE 28 HB2 PHE 28 1.337 0.346 -11.202 216 HB3 PHE 28 HB1 PHE 28 0.142 1.620 -11.011 217 HD1 PHE 28 HD2 PHE 28 0.285 -2.088 -10.715 218 HD2 PHE 28 HD1 PHE 28 -1.046 1.617 -9.104 219 HE1 PHE 28 HE2 PHE 28 -0.644 -3.256 -8.793 220 HE2 PHE 28 HE1 PHE 28 -1.956 0.454 -7.150 221 HZ PHE 28 HZ PHE 28 -1.765 -2.007 -6.986 222 H SER 29 HN SER 29 1.248 0.389 -14.833 223 HA SER 29 HA SER 29 1.415 3.226 -14.969 224 HB2 SER 29 HB2 SER 29 3.337 2.581 -15.918 225 HB3 SER 29 HB1 SER 29 2.762 0.962 -16.223 226 HG SER 29 HG SER 29 2.688 3.251 -17.841 227 H SER 30 HN SER 30 -1.124 1.248 -15.834 228 HA SER 30 HA SER 30 -1.661 2.137 -18.487 229 HB2 SER 30 HB2 SER 30 -3.864 0.896 -18.145 230 HB3 SER 30 HB1 SER 30 -2.403 -0.072 -17.929 231 HG SER 30 HG SER 30 -2.902 -0.360 -15.902 232 H PHE 31 HN PHE 31 -3.290 2.950 -15.309 233 HA PHE 31 HA PHE 31 -4.270 5.373 -16.535 234 HB2 PHE 31 HB2 PHE 31 -4.547 4.101 -13.866 235 HB3 PHE 31 HB1 PHE 31 -4.699 5.847 -13.946 236 HD1 PHE 31 HD1 PHE 31 -6.536 6.898 -15.066 237 HD2 PHE 31 HD2 PHE 31 -6.219 2.653 -14.897 238 HE1 PHE 31 HE1 PHE 31 -8.890 6.699 -15.743 239 HE2 PHE 31 HE2 PHE 31 -8.579 2.451 -15.579 240 HZ PHE 31 HZ PHE 31 -9.916 4.478 -16.000 241 H GLY 32 HN GLY 32 -1.436 4.512 -14.536 242 HA2 GLY 32 HA2 GLY 32 -0.660 7.345 -14.555 243 HA3 GLY 32 HA1 GLY 32 -0.749 6.462 -13.057 244 H ASP 33 HN ASP 33 1.266 7.315 -15.583 245 HA ASP 33 HA ASP 33 3.345 5.430 -15.250 246 HB2 ASP 33 HB2 ASP 33 3.701 8.305 -16.153 247 HB3 ASP 33 HB1 ASP 33 4.918 7.049 -16.237 248 H ILE 34 HN ILE 34 5.725 6.177 -14.229 249 HA ILE 34 HA ILE 34 4.887 6.418 -11.395 250 HB ILE 34 HB ILE 34 6.584 4.225 -12.683 251 HG12 ILE 34 HG12 ILE 34 4.264 3.486 -12.712 252 HG13 ILE 34 HG11 ILE 34 5.058 2.635 -11.435 253 HG21 ILE 34 HG21 ILE 34 7.869 4.650 -10.832 254 HG22 ILE 34 HG22 ILE 34 6.950 3.210 -10.456 255 HG23 ILE 34 HG23 ILE 34 6.493 4.743 -9.754 256 HD11 ILE 34 HD11 ILE 34 2.740 4.116 -11.314 257 HD12 ILE 34 HD12 ILE 34 3.898 4.953 -10.308 258 HD13 ILE 34 HD13 ILE 34 3.566 3.253 -10.027 259 H ARG 35 HN ARG 35 6.467 7.378 -9.780 260 HA ARG 35 HA ARG 35 8.736 8.839 -10.895 261 HB2 ARG 35 HB2 ARG 35 7.039 9.311 -8.657 262 HB3 ARG 35 HB1 ARG 35 8.640 9.046 -7.962 263 HG2 ARG 35 HG2 ARG 35 9.484 11.000 -8.800 264 HG3 ARG 35 HG1 ARG 35 8.369 11.092 -10.148 265 HD2 ARG 35 HD2 ARG 35 6.918 12.304 -8.954 266 HD3 ARG 35 HD1 ARG 35 6.992 11.222 -7.579 267 HE ARG 35 HE ARG 35 8.931 12.447 -6.846 268 HH11 ARG 35 HH12 ARG 35 6.940 14.012 -9.300 269 HH12 ARG 35 HH11 ARG 35 7.481 15.601 -8.894 270 HH21 ARG 35 HH21 ARG 35 9.594 14.558 -6.291 271 HH22 ARG 35 HH22 ARG 35 8.986 15.915 -7.186 272 H ASN 36 HN ASN 36 8.626 6.028 -8.511 273 HA ASN 36 HA ASN 36 11.374 5.419 -8.691 274 HB2 ASN 36 HB2 ASN 36 11.564 7.612 -7.369 275 HB3 ASN 36 HB1 ASN 36 10.697 6.809 -6.055 276 HD21 ASN 36 HD21 ASN 36 12.273 6.661 -4.461 277 HD22 ASN 36 HD22 ASN 36 13.765 5.819 -4.707 278 H ILE 37 HN ILE 37 11.775 3.333 -6.988 279 HA ILE 37 HA ILE 37 9.189 2.279 -6.129 280 HB ILE 37 HB ILE 37 10.870 0.750 -8.176 281 HG12 ILE 37 HG12 ILE 37 8.666 2.629 -8.602 282 HG13 ILE 37 HG11 ILE 37 9.982 2.171 -9.656 283 HG21 ILE 37 HG21 ILE 37 8.944 -0.818 -8.440 284 HG22 ILE 37 HG22 ILE 37 8.274 -0.156 -6.958 285 HG23 ILE 37 HG23 ILE 37 9.838 -0.944 -6.933 286 HD11 ILE 37 HD11 ILE 37 7.409 0.662 -9.257 287 HD12 ILE 37 HD12 ILE 37 8.794 0.092 -10.191 288 HD13 ILE 37 HD13 ILE 37 7.943 1.554 -10.680 289 H GLU 38 HN GLU 38 9.477 1.216 -4.148 290 HA GLU 38 HA GLU 38 12.097 -0.118 -3.810 291 HB2 GLU 38 HB2 GLU 38 12.167 1.934 -2.354 292 HB3 GLU 38 HB1 GLU 38 10.722 1.480 -1.542 293 HG2 GLU 38 HG2 GLU 38 12.370 -0.611 -0.889 294 HG3 GLU 38 HG1 GLU 38 13.513 0.721 -1.038 295 H VAL 39 HN VAL 39 11.825 -2.228 -3.922 296 HA VAL 39 HA VAL 39 9.678 -3.582 -2.392 297 HB VAL 39 HB VAL 39 10.406 -4.324 -5.287 298 HG11 VAL 39 HG11 VAL 39 8.694 -6.037 -5.233 299 HG12 VAL 39 HG12 VAL 39 8.292 -5.638 -3.567 300 HG13 VAL 39 HG13 VAL 39 9.870 -6.323 -3.954 301 HG21 VAL 39 HG21 VAL 39 8.860 -2.465 -5.477 302 HG22 VAL 39 HG22 VAL 39 7.777 -3.213 -4.326 303 HG23 VAL 39 HG23 VAL 39 8.017 -3.950 -5.885 304 HA PRO 40 HA PRO 40 13.804 -5.674 -1.522 305 HB2 PRO 40 HB2 PRO 40 12.752 -6.812 0.805 306 HB3 PRO 40 HB1 PRO 40 13.750 -5.348 0.747 307 HG2 PRO 40 HG2 PRO 40 10.814 -5.613 0.894 308 HG3 PRO 40 HG1 PRO 40 11.895 -4.463 1.696 309 HD2 PRO 40 HD2 PRO 40 10.482 -3.657 -0.420 310 HD3 PRO 40 HD1 PRO 40 12.156 -3.183 -0.193 311 H LEU 41 HN LEU 41 14.237 -7.826 -2.022 312 HA LEU 41 HA LEU 41 12.035 -9.765 -2.232 313 HB2 LEU 41 HB2 LEU 41 13.079 -8.385 -4.598 314 HB3 LEU 41 HB1 LEU 41 13.475 -10.073 -4.701 315 HG LEU 41 HG LEU 41 11.364 -10.594 -5.393 316 HD11 LEU 41 HD11 LEU 41 10.052 -8.607 -3.505 317 HD12 LEU 41 HD12 LEU 41 10.105 -10.355 -3.315 318 HD13 LEU 41 HD13 LEU 41 9.217 -9.653 -4.640 319 HD21 LEU 41 HD21 LEU 41 11.177 -7.614 -5.633 320 HD22 LEU 41 HD22 LEU 41 10.088 -8.757 -6.406 321 HD23 LEU 41 HD23 LEU 41 11.799 -8.751 -6.841 322 H ASN 42 HN ASN 42 13.098 -11.963 -1.622 323 HA ASN 42 HA ASN 42 15.993 -11.521 -1.208 324 HB2 ASN 42 HB2 ASN 42 14.670 -11.954 0.961 325 HB3 ASN 42 HB1 ASN 42 14.427 -13.611 0.423 326 HD21 ASN 42 HD21 ASN 42 15.525 -14.151 2.359 327 HD22 ASN 42 HD22 ASN 42 17.255 -14.175 2.374 328 H MET 43 HN MET 43 17.460 -12.842 -2.361 329 HA MET 43 HA MET 43 16.240 -14.128 -4.568 330 HB2 MET 43 HB2 MET 43 18.884 -13.155 -3.990 331 HB3 MET 43 HB1 MET 43 19.033 -14.795 -4.596 332 HG2 MET 43 HG2 MET 43 17.238 -13.094 -6.228 333 HG3 MET 43 HG1 MET 43 18.918 -12.547 -6.146 334 HE1 MET 43 HE1 MET 43 20.940 -15.365 -7.762 335 HE2 MET 43 HE2 MET 43 20.760 -14.959 -6.056 336 HE3 MET 43 HE3 MET 43 20.908 -13.675 -7.256 337 H THR 44 HN THR 44 16.594 -15.733 -1.606 338 HA THR 44 HA THR 44 17.130 -18.269 -2.901 339 HB THR 44 HB THR 44 16.420 -17.854 0.057 340 HG1 THR 44 HG1 THR 44 18.738 -18.284 0.250 341 HG21 THR 44 HG21 THR 44 15.958 -20.213 -0.722 342 HG22 THR 44 HG22 THR 44 17.211 -20.072 0.505 343 HG23 THR 44 HG23 THR 44 17.667 -20.339 -1.171 344 H THR 45 HN THR 45 14.140 -16.886 -1.279 345 HA THR 45 HA THR 45 12.725 -18.645 -3.119 346 HB THR 45 HB THR 45 12.093 -19.869 -1.373 347 HG1 THR 45 HG1 THR 45 10.115 -18.610 -2.058 348 HG21 THR 45 HG21 THR 45 12.383 -17.565 0.569 349 HG22 THR 45 HG22 THR 45 13.327 -19.058 0.446 350 HG23 THR 45 HG23 THR 45 11.667 -19.116 0.995 351 H LYS 46 HN LYS 46 13.321 -15.530 -3.045 352 HA LYS 46 HA LYS 46 12.387 -13.532 -3.609 353 HB2 LYS 46 HB2 LYS 46 12.129 -14.871 -5.678 354 HB3 LYS 46 HB1 LYS 46 10.534 -15.378 -5.138 355 HG2 LYS 46 HG2 LYS 46 9.587 -13.540 -5.920 356 HG3 LYS 46 HG1 LYS 46 10.776 -12.493 -5.193 357 HD2 LYS 46 HD2 LYS 46 10.870 -12.056 -7.528 358 HD3 LYS 46 HD1 LYS 46 12.284 -13.037 -7.188 359 HE2 LYS 46 HE2 LYS 46 11.228 -14.985 -8.133 360 HE3 LYS 46 HE1 LYS 46 9.696 -14.121 -8.305 361 HZ1 LYS 46 HZ1 LYS 46 10.904 -14.272 -10.390 362 HZ2 LYS 46 HZ2 LYS 46 12.224 -13.458 -9.718 363 HZ3 LYS 46 HZ3 LYS 46 10.747 -12.657 -9.905 364 H LYS 47 HN LYS 47 11.651 -12.826 -1.582 365 HA LYS 47 HA LYS 47 8.817 -13.245 -0.926 366 HB2 LYS 47 HB2 LYS 47 11.148 -13.609 1.040 367 HB3 LYS 47 HB1 LYS 47 9.477 -13.501 1.532 368 HG2 LYS 47 HG2 LYS 47 10.946 -15.851 0.290 369 HG3 LYS 47 HG1 LYS 47 9.862 -15.778 1.678 370 HD2 LYS 47 HD2 LYS 47 8.836 -15.297 -1.119 371 HD3 LYS 47 HD1 LYS 47 8.952 -16.909 -0.435 372 HE2 LYS 47 HE2 LYS 47 7.508 -16.179 1.447 373 HE3 LYS 47 HE1 LYS 47 7.320 -14.616 0.649 374 HZ1 LYS 47 HZ1 LYS 47 6.272 -15.690 -1.208 375 HZ2 LYS 47 HZ2 LYS 47 5.483 -16.177 0.204 376 HZ3 LYS 47 HZ3 LYS 47 6.563 -17.227 -0.563 377 H ASN 48 HN ASN 48 7.874 -11.288 -0.321 378 HA ASN 48 HA ASN 48 9.688 -9.002 -0.608 379 HB2 ASN 48 HB2 ASN 48 7.610 -7.600 -0.853 380 HB3 ASN 48 HB1 ASN 48 7.859 -8.793 -2.119 381 HD21 ASN 48 HD21 ASN 48 6.444 -10.531 -2.267 382 HD22 ASN 48 HD22 ASN 48 4.981 -10.606 -1.345 383 H ARG 49 HN ARG 49 8.800 -10.715 1.947 384 HA ARG 49 HA ARG 49 8.085 -10.465 4.074 385 HB2 ARG 49 HB2 ARG 49 9.597 -8.754 5.385 386 HB3 ARG 49 HB1 ARG 49 10.267 -10.216 4.722 387 HG2 ARG 49 HG2 ARG 49 11.017 -8.818 2.742 388 HG3 ARG 49 HG1 ARG 49 10.626 -7.392 3.717 389 HD2 ARG 49 HD2 ARG 49 12.185 -8.374 5.478 390 HD3 ARG 49 HD1 ARG 49 12.690 -9.532 4.254 391 HE ARG 49 HE ARG 49 12.954 -7.113 3.026 392 HH11 ARG 49 HH12 ARG 49 14.264 -8.485 5.989 393 HH12 ARG 49 HH11 ARG 49 15.723 -7.556 5.923 394 HH21 ARG 49 HH22 ARG 49 14.903 -5.922 2.930 395 HH22 ARG 49 HH21 ARG 49 16.086 -6.104 4.185 396 H GLY 50 HN GLY 50 5.976 -9.483 3.000 397 HA2 GLY 50 HA2 GLY 50 4.070 -8.589 3.837 398 HA3 GLY 50 HA1 GLY 50 5.007 -7.988 5.183 399 H PHE 51 HN PHE 51 6.120 -6.581 2.130 400 HA PHE 51 HA PHE 51 4.442 -4.328 2.365 401 HB2 PHE 51 HB2 PHE 51 5.439 -2.854 3.895 402 HB3 PHE 51 HB1 PHE 51 5.666 -4.405 4.638 403 HD1 PHE 51 HD1 PHE 51 7.909 -5.328 4.999 404 HD2 PHE 51 HD2 PHE 51 7.353 -1.444 3.277 405 HE1 PHE 51 HE1 PHE 51 10.259 -4.781 5.395 406 HE2 PHE 51 HE2 PHE 51 9.698 -0.933 3.670 407 HZ PHE 51 HZ PHE 51 11.161 -2.602 4.721 408 H ALA 52 HN ALA 52 4.578 -3.264 0.310 409 HA ALA 52 HA ALA 52 7.299 -2.427 -0.585 410 HB1 ALA 52 HB1 ALA 52 6.439 -2.525 -2.925 411 HB2 ALA 52 HB2 ALA 52 4.941 -3.219 -2.345 412 HB3 ALA 52 HB3 ALA 52 6.448 -4.108 -2.177 413 H PHE 53 HN PHE 53 7.568 -0.323 -1.131 414 HA PHE 53 HA PHE 53 5.334 1.498 -0.860 415 HB2 PHE 53 HB2 PHE 53 8.266 2.166 -1.030 416 HB3 PHE 53 HB1 PHE 53 6.975 3.320 -0.720 417 HD1 PHE 53 HD1 PHE 53 5.445 2.472 1.519 418 HD2 PHE 53 HD2 PHE 53 9.530 1.625 0.689 419 HE1 PHE 53 HE1 PHE 53 5.870 2.082 3.905 420 HE2 PHE 53 HE2 PHE 53 9.962 1.240 3.015 421 HZ PHE 53 HZ PHE 53 8.127 1.466 4.671 422 H VAL 54 HN VAL 54 4.549 2.952 -2.612 423 HA VAL 54 HA VAL 54 5.956 2.774 -5.173 424 HB VAL 54 HB VAL 54 2.969 2.043 -4.992 425 HG11 VAL 54 HG11 VAL 54 2.541 2.193 -7.248 426 HG12 VAL 54 HG12 VAL 54 4.221 2.408 -7.681 427 HG13 VAL 54 HG13 VAL 54 3.335 3.723 -6.903 428 HG21 VAL 54 HG21 VAL 54 5.198 0.624 -6.396 429 HG22 VAL 54 HG22 VAL 54 3.504 0.241 -6.525 430 HG23 VAL 54 HG23 VAL 54 4.308 0.084 -4.988 431 H GLU 55 HN GLU 55 6.476 5.029 -5.601 432 HA GLU 55 HA GLU 55 4.635 7.158 -4.901 433 HB2 GLU 55 HB2 GLU 55 7.345 6.824 -5.213 434 HB3 GLU 55 HB1 GLU 55 6.927 7.655 -6.694 435 HG2 GLU 55 HG2 GLU 55 6.141 9.569 -5.280 436 HG3 GLU 55 HG1 GLU 55 6.783 8.724 -3.882 437 H TYR 56 HN TYR 56 3.066 8.141 -6.406 438 HA TYR 56 HA TYR 56 2.993 7.194 -9.200 439 HB2 TYR 56 HB2 TYR 56 0.925 8.098 -7.339 440 HB3 TYR 56 HB1 TYR 56 0.896 9.078 -8.793 441 HD1 TYR 56 HD2 TYR 56 0.994 5.327 -7.995 442 HD2 TYR 56 HD1 TYR 56 -0.522 8.503 -10.404 443 HE1 TYR 56 HE2 TYR 56 -0.549 3.769 -9.066 444 HE2 TYR 56 HE1 TYR 56 -2.014 6.954 -11.465 445 HH TYR 56 HH TYR 56 -2.158 4.512 -11.942 446 H VAL 57 HN VAL 57 2.751 8.851 -11.118 447 HA VAL 57 HA VAL 57 4.046 11.359 -10.679 448 HB VAL 57 HB VAL 57 2.994 10.142 -13.214 449 HG11 VAL 57 HG11 VAL 57 2.000 12.313 -13.543 450 HG12 VAL 57 HG12 VAL 57 3.460 12.226 -14.507 451 HG13 VAL 57 HG13 VAL 57 3.456 13.124 -12.996 452 HG21 VAL 57 HG21 VAL 57 5.130 10.803 -14.112 453 HG22 VAL 57 HG22 VAL 57 5.396 10.009 -12.581 454 HG23 VAL 57 HG23 VAL 57 5.484 11.754 -12.692 455 H GLU 58 HN GLU 58 0.365 10.972 -11.159 456 HA GLU 58 HA GLU 58 0.314 13.876 -10.678 457 HB2 GLU 58 HB2 GLU 58 -1.679 12.194 -12.232 458 HB3 GLU 58 HB1 GLU 58 -2.042 13.780 -11.662 459 HG2 GLU 58 HG2 GLU 58 -0.240 13.026 -13.909 460 HG3 GLU 58 HG1 GLU 58 -1.640 14.085 -13.863 461 H VAL 59 HN VAL 59 -1.621 14.710 -9.402 462 HA VAL 59 HA VAL 59 -1.787 12.957 -7.129 463 HB VAL 59 HB VAL 59 -1.643 14.628 -5.808 464 HG11 VAL 59 HG11 VAL 59 -1.415 16.602 -8.024 465 HG12 VAL 59 HG12 VAL 59 -0.131 15.522 -7.486 466 HG13 VAL 59 HG13 VAL 59 -0.779 16.725 -6.389 467 HG21 VAL 59 HG21 VAL 59 -3.903 16.147 -7.028 468 HG22 VAL 59 HG22 VAL 59 -2.951 16.723 -5.677 469 HG23 VAL 59 HG23 VAL 59 -3.882 15.248 -5.511 470 H ASP 60 HN ASP 60 -4.507 14.424 -9.081 471 HA ASP 60 HA ASP 60 -6.558 13.091 -7.618 472 HB2 ASP 60 HB2 ASP 60 -7.034 14.938 -9.271 473 HB3 ASP 60 HB1 ASP 60 -6.831 13.756 -10.557 474 H ASP 61 HN ASP 61 -5.074 11.972 -10.725 475 HA ASP 61 HA ASP 61 -6.251 9.542 -11.014 476 HB2 ASP 61 HB2 ASP 61 -3.289 9.893 -11.651 477 HB3 ASP 61 HB1 ASP 61 -4.418 8.714 -12.335 478 H ALA 62 HN ALA 62 -3.359 9.982 -8.912 479 HA ALA 62 HA ALA 62 -3.082 7.547 -7.736 480 HB1 ALA 62 HB1 ALA 62 -2.344 8.645 -5.693 481 HB2 ALA 62 HB2 ALA 62 -3.064 10.145 -6.203 482 HB3 ALA 62 HB3 ALA 62 -1.716 9.474 -7.088 483 H LYS 63 HN LYS 63 -5.209 9.984 -6.217 484 HA LYS 63 HA LYS 63 -6.447 8.260 -4.405 485 HB2 LYS 63 HB2 LYS 63 -8.451 10.143 -4.798 486 HB3 LYS 63 HB1 LYS 63 -7.221 10.086 -3.557 487 HG2 LYS 63 HG2 LYS 63 -5.740 11.453 -5.121 488 HG3 LYS 63 HG1 LYS 63 -7.164 11.638 -6.149 489 HD2 LYS 63 HD2 LYS 63 -6.968 12.504 -3.255 490 HD3 LYS 63 HD1 LYS 63 -6.810 13.562 -4.646 491 HE2 LYS 63 HE2 LYS 63 -9.092 13.032 -5.331 492 HE3 LYS 63 HE1 LYS 63 -9.262 11.949 -3.952 493 HZ1 LYS 63 HZ1 LYS 63 -10.255 14.149 -3.580 494 HZ2 LYS 63 HZ2 LYS 63 -8.730 14.861 -3.748 495 HZ3 LYS 63 HZ3 LYS 63 -9.030 13.799 -2.468 496 H HIS 64 HN HIS 64 -7.611 8.657 -7.807 497 HA HIS 64 HA HIS 64 -9.929 7.092 -7.217 498 HB2 HIS 64 HB2 HIS 64 -9.073 8.488 -9.592 499 HB3 HIS 64 HB1 HIS 64 -9.652 6.883 -9.991 500 HD1 HIS 64 HD1 HIS 64 -12.021 6.327 -8.613 501 HD2 HIS 64 HD2 HIS 64 -11.132 10.267 -9.617 502 HE1 HIS 64 HE1 HIS 64 -14.198 7.566 -8.488 503 HE2 HIS 64 HE2 HIS 64 -13.661 9.898 -9.270 504 H ALA 65 HN ALA 65 -6.698 6.127 -8.595 505 HA ALA 65 HA ALA 65 -7.438 3.504 -9.208 506 HB1 ALA 65 HB1 ALA 65 -5.373 4.115 -10.109 507 HB2 ALA 65 HB2 ALA 65 -4.990 2.870 -8.930 508 HB3 ALA 65 HB3 ALA 65 -4.690 4.566 -8.553 509 H LEU 66 HN LEU 66 -6.122 4.543 -5.995 510 HA LEU 66 HA LEU 66 -6.067 1.994 -4.977 511 HB2 LEU 66 HB2 LEU 66 -5.076 2.774 -3.159 512 HB3 LEU 66 HB1 LEU 66 -5.227 4.339 -3.852 513 HG LEU 66 HG LEU 66 -7.397 4.537 -2.294 514 HD11 LEU 66 HD11 LEU 66 -7.343 2.058 -1.712 515 HD12 LEU 66 HD12 LEU 66 -7.534 3.209 -0.400 516 HD13 LEU 66 HD13 LEU 66 -5.974 2.464 -0.696 517 HD21 LEU 66 HD21 LEU 66 -5.686 5.941 -1.587 518 HD22 LEU 66 HD22 LEU 66 -4.537 4.631 -1.423 519 HD23 LEU 66 HD23 LEU 66 -5.808 4.830 -0.221 520 H TYR 67 HN TYR 67 -9.062 3.992 -4.938 521 HA TYR 67 HA TYR 67 -10.532 2.154 -3.408 522 HB2 TYR 67 HB2 TYR 67 -11.157 4.486 -4.682 523 HB3 TYR 67 HB1 TYR 67 -12.020 3.309 -5.670 524 HD1 TYR 67 HD1 TYR 67 -13.806 1.917 -4.649 525 HD2 TYR 67 HD2 TYR 67 -11.834 4.977 -2.417 526 HE1 TYR 67 HE1 TYR 67 -15.570 1.827 -2.944 527 HE2 TYR 67 HE2 TYR 67 -13.590 4.872 -0.720 528 HH TYR 67 HH TYR 67 -15.994 4.180 -0.601 529 H ASN 68 HN ASN 68 -9.960 2.028 -6.955 530 HA ASN 68 HA ASN 68 -11.293 -0.509 -7.260 531 HB2 ASN 68 HB2 ASN 68 -10.899 1.174 -9.177 532 HB3 ASN 68 HB1 ASN 68 -9.252 0.535 -9.290 533 HD21 ASN 68 HD21 ASN 68 -8.905 -1.416 -10.203 534 HD22 ASN 68 HD22 ASN 68 -10.131 -2.342 -10.983 535 H MET 69 HN MET 69 -8.329 -0.072 -5.669 536 HA MET 69 HA MET 69 -7.045 -2.318 -7.052 537 HB2 MET 69 HB2 MET 69 -5.925 0.083 -5.678 538 HB3 MET 69 HB1 MET 69 -4.971 -1.388 -5.637 539 HG2 MET 69 HG2 MET 69 -5.751 0.298 -8.009 540 HG3 MET 69 HG1 MET 69 -4.161 -0.210 -7.466 541 HE1 MET 69 HE1 MET 69 -5.180 -0.351 -10.520 542 HE2 MET 69 HE2 MET 69 -4.530 -1.919 -10.997 543 HE3 MET 69 HE3 MET 69 -3.556 -0.825 -10.015 544 H ASN 70 HN ASN 70 -8.682 -1.545 -4.211 545 HA ASN 70 HA ASN 70 -7.468 -3.366 -2.427 546 HB2 ASN 70 HB2 ASN 70 -9.094 -1.454 -1.877 547 HB3 ASN 70 HB1 ASN 70 -10.376 -2.540 -2.386 548 HD21 ASN 70 HD21 ASN 70 -8.001 -1.819 0.010 549 HD22 ASN 70 HD22 ASN 70 -8.594 -2.912 1.210 550 H ASN 71 HN ASN 71 -10.449 -3.728 -4.439 551 HA ASN 71 HA ASN 71 -10.635 -6.530 -3.872 552 HB2 ASN 71 HB2 ASN 71 -12.524 -6.564 -5.392 553 HB3 ASN 71 HB1 ASN 71 -12.612 -5.146 -4.351 554 HD21 ASN 71 HD21 ASN 71 -12.479 -3.078 -5.279 555 HD22 ASN 71 HD22 ASN 71 -12.512 -2.843 -6.991 556 H PHE 72 HN PHE 72 -8.479 -5.066 -5.954 557 HA PHE 72 HA PHE 72 -8.608 -6.960 -8.111 558 HB2 PHE 72 HB2 PHE 72 -7.921 -4.910 -8.951 559 HB3 PHE 72 HB1 PHE 72 -6.986 -4.490 -7.530 560 HD1 PHE 72 HD2 PHE 72 -6.963 -6.339 -10.744 561 HD2 PHE 72 HD1 PHE 72 -4.700 -4.959 -7.425 562 HE1 PHE 72 HE2 PHE 72 -4.869 -6.778 -11.983 563 HE2 PHE 72 HE1 PHE 72 -2.615 -5.386 -8.642 564 HZ PHE 72 HZ PHE 72 -2.699 -6.304 -10.925 565 H GLU 73 HN GLU 73 -7.458 -8.962 -8.237 566 HA GLU 73 HA GLU 73 -5.707 -9.538 -5.977 567 HB2 GLU 73 HB2 GLU 73 -6.331 -11.824 -6.127 568 HB3 GLU 73 HB1 GLU 73 -7.812 -10.920 -6.210 569 HG2 GLU 73 HG2 GLU 73 -6.420 -12.190 -8.588 570 HG3 GLU 73 HG1 GLU 73 -7.741 -12.858 -7.693 571 H LEU 74 HN LEU 74 -3.692 -10.896 -6.404 572 HA LEU 74 HA LEU 74 -2.808 -10.858 -9.224 573 HB2 LEU 74 HB2 LEU 74 -1.463 -9.609 -6.856 574 HB3 LEU 74 HB1 LEU 74 -0.396 -10.378 -7.994 575 HG LEU 74 HG LEU 74 -2.350 -8.150 -8.701 576 HD11 LEU 74 HD11 LEU 74 -0.765 -7.319 -7.094 577 HD12 LEU 74 HD12 LEU 74 -0.350 -6.687 -8.689 578 HD13 LEU 74 HD13 LEU 74 0.576 -8.020 -8.001 579 HD21 LEU 74 HD21 LEU 74 0.009 -9.259 -10.267 580 HD22 LEU 74 HD22 LEU 74 -0.848 -7.780 -10.661 581 HD23 LEU 74 HD23 LEU 74 -1.689 -9.313 -10.745 582 H ASN 75 HN ASN 75 -2.931 -13.261 -9.621 583 HA ASN 75 HA ASN 75 -2.330 -15.476 -9.497 584 HB2 ASN 75 HB2 ASN 75 0.200 -14.521 -8.076 585 HB3 ASN 75 HB1 ASN 75 -0.035 -16.052 -8.891 586 HD21 ASN 75 HD21 ASN 75 2.079 -14.205 -9.328 587 HD22 ASN 75 HD22 ASN 75 1.961 -13.661 -10.967 588 H GLY 76 HN GLY 76 -4.254 -15.319 -7.679 589 HA2 GLY 76 HA2 GLY 76 -5.141 -16.322 -5.856 590 HA3 GLY 76 HA1 GLY 76 -3.695 -17.284 -5.791 591 H LYS 77 HN LYS 77 -3.524 -13.831 -5.313 592 HA LYS 77 HA LYS 77 -3.346 -14.183 -2.464 593 HB2 LYS 77 HB2 LYS 77 -1.020 -14.388 -3.016 594 HB3 LYS 77 HB1 LYS 77 -1.053 -13.061 -4.144 595 HG2 LYS 77 HG2 LYS 77 -0.622 -11.523 -2.618 596 HG3 LYS 77 HG1 LYS 77 -1.633 -12.236 -1.374 597 HD2 LYS 77 HD2 LYS 77 1.076 -13.321 -2.201 598 HD3 LYS 77 HD1 LYS 77 0.860 -12.178 -0.886 599 HE2 LYS 77 HE2 LYS 77 -0.423 -13.831 0.376 600 HE3 LYS 77 HE1 LYS 77 -0.297 -14.977 -0.961 601 HZ1 LYS 77 HZ1 LYS 77 1.912 -13.900 0.693 602 HZ2 LYS 77 HZ2 LYS 77 2.132 -14.865 -0.678 603 HZ3 LYS 77 HZ3 LYS 77 1.334 -15.492 0.671 604 H ARG 78 HN ARG 78 -3.498 -12.109 -1.238 605 HA ARG 78 HA ARG 78 -5.273 -10.214 -2.673 606 HB2 ARG 78 HB2 ARG 78 -6.042 -11.651 -0.505 607 HB3 ARG 78 HB1 ARG 78 -5.190 -10.406 0.387 608 HG2 ARG 78 HG2 ARG 78 -7.849 -10.363 -0.961 609 HG3 ARG 78 HG1 ARG 78 -7.329 -9.719 0.581 610 HD2 ARG 78 HD2 ARG 78 -6.103 -7.910 -0.870 611 HD3 ARG 78 HD1 ARG 78 -7.248 -8.434 -2.113 612 HE ARG 78 HE ARG 78 -7.836 -6.973 0.295 613 HH11 ARG 78 HH12 ARG 78 -9.228 -8.955 -2.245 614 HH12 ARG 78 HH11 ARG 78 -10.840 -8.395 -1.972 615 HH21 ARG 78 HH22 ARG 78 -9.976 -6.315 0.705 616 HH22 ARG 78 HH21 ARG 78 -11.262 -6.892 -0.292 617 H ILE 79 HN ILE 79 -4.285 -8.046 -2.973 618 HA ILE 79 HA ILE 79 -2.004 -7.415 -1.232 619 HB ILE 79 HB ILE 79 -2.043 -5.159 -2.528 620 HG12 ILE 79 HG12 ILE 79 -3.357 -6.789 -4.734 621 HG13 ILE 79 HG11 ILE 79 -4.208 -5.550 -3.802 622 HG21 ILE 79 HG21 ILE 79 -0.779 -6.204 -4.506 623 HG22 ILE 79 HG22 ILE 79 -0.976 -7.704 -3.624 624 HG23 ILE 79 HG23 ILE 79 -0.136 -6.349 -2.885 625 HD11 ILE 79 HD11 ILE 79 -3.384 -4.694 -5.943 626 HD12 ILE 79 HD12 ILE 79 -1.740 -5.109 -5.462 627 HD13 ILE 79 HD13 ILE 79 -2.632 -3.870 -4.579 628 H HIS 80 HN HIS 80 -2.165 -6.195 0.540 629 HA HIS 80 HA HIS 80 -4.806 -4.899 0.986 630 HB2 HIS 80 HB2 HIS 80 -4.167 -6.095 2.954 631 HB3 HIS 80 HB1 HIS 80 -2.521 -5.496 2.959 632 HD1 HIS 80 HD1 HIS 80 -6.016 -3.996 3.313 633 HD2 HIS 80 HD2 HIS 80 -2.158 -3.553 4.752 634 HE1 HIS 80 HE1 HIS 80 -6.115 -2.068 4.910 635 HE2 HIS 80 HE2 HIS 80 -3.733 -1.716 5.628 636 H VAL 81 HN VAL 81 -5.105 -2.549 0.854 637 HA VAL 81 HA VAL 81 -2.668 -1.199 -0.106 638 HB VAL 81 HB VAL 81 -5.410 -1.267 -1.522 639 HG11 VAL 81 HG11 VAL 81 -4.630 0.171 -3.271 640 HG12 VAL 81 HG12 VAL 81 -3.178 0.556 -2.388 641 HG13 VAL 81 HG13 VAL 81 -4.756 1.014 -1.747 642 HG21 VAL 81 HG21 VAL 81 -3.807 -3.123 -2.157 643 HG22 VAL 81 HG22 VAL 81 -2.759 -1.886 -2.824 644 HG23 VAL 81 HG23 VAL 81 -4.351 -2.121 -3.478 645 H ASN 82 HN ASN 82 -2.256 0.881 1.050 646 HA ASN 82 HA ASN 82 -4.596 2.435 1.907 647 HB2 ASN 82 HB2 ASN 82 -4.055 0.518 3.719 648 HB3 ASN 82 HB1 ASN 82 -2.912 1.727 4.308 649 HD21 ASN 82 HD21 ASN 82 -5.324 0.682 5.534 650 HD22 ASN 82 HD22 ASN 82 -6.364 2.034 5.786 651 H TYR 83 HN TYR 83 -3.694 4.487 3.361 652 HA TYR 83 HA TYR 83 -1.489 5.427 1.713 653 HB2 TYR 83 HB2 TYR 83 -3.204 7.057 1.533 654 HB3 TYR 83 HB1 TYR 83 -3.600 6.982 3.262 655 HD1 TYR 83 HD2 TYR 83 -1.204 8.335 0.741 656 HD2 TYR 83 HD1 TYR 83 -2.482 8.446 4.801 657 HE1 TYR 83 HE2 TYR 83 0.184 10.305 1.129 658 HE2 TYR 83 HE1 TYR 83 -1.091 10.431 5.171 659 HH TYR 83 HH TYR 83 0.367 12.169 2.607 660 H SER 84 HN SER 84 0.301 7.074 3.051 661 HA SER 84 HA SER 84 1.243 5.142 5.068 662 HB2 SER 84 HB2 SER 84 2.582 6.373 2.672 663 HB3 SER 84 HB1 SER 84 3.589 5.906 4.039 664 HG SER 84 HG SER 84 3.448 4.155 2.684 665 H LYS 85 HN LYS 85 2.051 6.001 7.089 666 HA LYS 85 HA LYS 85 2.379 8.502 7.971 667 HB2 LYS 85 HB2 LYS 85 3.303 6.153 8.932 668 HB3 LYS 85 HB1 LYS 85 4.819 6.683 8.232 669 HG2 LYS 85 HG2 LYS 85 3.581 8.573 10.209 670 HG3 LYS 85 HG1 LYS 85 4.249 7.075 10.820 671 HD2 LYS 85 HD2 LYS 85 6.261 7.985 10.782 672 HD3 LYS 85 HD1 LYS 85 6.212 8.006 9.027 673 HE2 LYS 85 HE2 LYS 85 5.031 10.272 9.251 674 HE3 LYS 85 HE1 LYS 85 5.495 10.199 10.955 675 HZ1 LYS 85 HZ1 LYS 85 7.225 10.427 8.575 676 HZ2 LYS 85 HZ2 LYS 85 7.837 9.808 10.032 677 HZ3 LYS 85 HZ3 LYS 85 7.203 11.371 9.984 678 H THR 86 HN THR 86 3.077 10.317 6.630 679 HA THR 86 HA THR 86 5.733 10.004 5.429 680 HB THR 86 HB THR 86 5.129 12.153 4.223 681 HG1 THR 86 HG1 THR 86 3.278 12.564 5.801 682 HG21 THR 86 HG21 THR 86 4.949 10.214 2.897 683 HG22 THR 86 HG22 THR 86 3.411 11.055 2.698 684 HG23 THR 86 HG23 THR 86 3.515 9.655 3.763 Start of MODEL 16 1 H1 GLY -2 HT1 GLY -2 -16.775 -9.313 -1.769 2 H2 GLY -2 HT2 GLY -2 -15.554 -8.792 -2.817 3 H3 GLY -2 HT3 GLY -2 -17.101 -8.123 -2.928 4 HA2 GLY -2 HA1 GLY -2 -15.578 -6.609 -1.859 5 HA3 GLY -2 HA2 GLY -2 -16.883 -7.093 -0.789 6 H SER -1 HN SER -1 -14.148 -6.075 -0.231 7 HA SER -1 HA SER -1 -13.450 -8.101 1.750 8 HB2 SER -1 HB2 SER -1 -11.410 -6.891 -0.139 9 HB3 SER -1 HB1 SER -1 -11.015 -7.852 1.284 10 HG SER -1 HG SER -1 -12.659 -9.359 0.048 11 H HIS 0 HN HIS 0 -12.632 -4.831 0.511 12 HA HIS 0 HA HIS 0 -12.972 -3.674 3.141 13 HB2 HIS 0 HB2 HIS 0 -10.549 -4.563 2.978 14 HB3 HIS 0 HB1 HIS 0 -10.282 -3.284 1.800 15 HD1 HIS 0 HD1 HIS 0 -11.734 -3.441 5.344 16 HD2 HIS 0 HD2 HIS 0 -9.218 -1.113 2.983 17 HE1 HIS 0 HE1 HIS 0 -10.967 -1.554 6.822 18 HE2 HIS 0 HE2 HIS 0 -9.412 -0.185 5.390 19 H MET 1 HN MET 1 -13.048 -1.282 3.029 20 HA MET 1 HA MET 1 -13.868 -0.475 0.340 21 HB2 MET 1 HB2 MET 1 -15.310 1.223 1.392 22 HB3 MET 1 HB1 MET 1 -15.668 -0.401 1.950 23 HG2 MET 1 HG2 MET 1 -14.425 0.048 4.026 24 HG3 MET 1 HG1 MET 1 -14.135 1.696 3.472 25 HE1 MET 1 HE1 MET 1 -16.805 2.179 6.331 26 HE2 MET 1 HE2 MET 1 -15.189 2.601 5.767 27 HE3 MET 1 HE3 MET 1 -15.534 0.957 6.307 28 H SER 2 HN SER 2 -11.688 0.493 2.937 29 HA SER 2 HA SER 2 -9.941 1.912 3.087 30 HB2 SER 2 HB2 SER 2 -10.034 1.792 0.065 31 HB3 SER 2 HB1 SER 2 -8.703 2.484 0.990 32 HG SER 2 HG SER 2 -7.983 0.511 0.994 33 H ASP 3 HN ASP 3 -10.157 3.867 3.993 34 HA ASP 3 HA ASP 3 -11.252 6.052 2.384 35 HB2 ASP 3 HB2 ASP 3 -12.285 6.931 4.601 36 HB3 ASP 3 HB1 ASP 3 -13.106 5.623 3.767 37 H ASN 4 HN ASN 4 -9.382 7.172 1.968 38 HA ASN 4 HA ASN 4 -7.990 8.404 4.153 39 HB2 ASN 4 HB2 ASN 4 -5.692 7.507 3.393 40 HB3 ASN 4 HB1 ASN 4 -6.692 6.474 4.401 41 HD21 ASN 4 HD21 ASN 4 -7.153 6.974 0.922 42 HD22 ASN 4 HD22 ASN 4 -6.754 5.351 0.481 43 H ASN 5 HN ASN 5 -6.427 9.997 3.550 44 HA ASN 5 HA ASN 5 -7.132 11.221 0.993 45 HB2 ASN 5 HB2 ASN 5 -5.872 12.351 3.497 46 HB3 ASN 5 HB1 ASN 5 -5.927 13.276 2.005 47 HD21 ASN 5 HD21 ASN 5 -7.691 12.119 4.709 48 HD22 ASN 5 HD22 ASN 5 -9.191 12.887 4.337 49 H ALA 6 HN ALA 6 -5.005 9.081 0.941 50 HA ALA 6 HA ALA 6 -2.376 10.044 0.829 51 HB1 ALA 6 HB1 ALA 6 -2.853 7.617 0.734 52 HB2 ALA 6 HB2 ALA 6 -1.763 8.137 -0.541 53 HB3 ALA 6 HB3 ALA 6 -3.451 7.818 -0.913 54 H THR 7 HN THR 7 -1.875 11.885 -0.269 55 HA THR 7 HA THR 7 -2.359 11.855 -3.173 56 HB THR 7 HB THR 7 -2.900 13.989 -2.317 57 HG1 THR 7 HG1 THR 7 -0.277 14.334 -3.381 58 HG21 THR 7 HG21 THR 7 -0.219 14.029 -0.938 59 HG22 THR 7 HG22 THR 7 -1.814 14.102 -0.186 60 HG23 THR 7 HG23 THR 7 -1.237 15.456 -1.153 61 H ASP 8 HN ASP 8 -0.769 11.312 -4.554 62 HA ASP 8 HA ASP 8 1.019 10.623 -5.556 63 HB2 ASP 8 HB2 ASP 8 2.664 12.302 -5.879 64 HB3 ASP 8 HB1 ASP 8 1.306 13.181 -5.307 65 H ILE 9 HN ILE 9 0.819 9.755 -2.337 66 HA ILE 9 HA ILE 9 3.188 8.034 -2.478 67 HB ILE 9 HB ILE 9 2.381 9.606 -0.012 68 HG12 ILE 9 HG12 ILE 9 4.854 9.944 -1.736 69 HG13 ILE 9 HG11 ILE 9 3.424 10.908 -1.883 70 HG21 ILE 9 HG21 ILE 9 4.924 8.001 -0.282 71 HG22 ILE 9 HG22 ILE 9 3.454 7.296 0.385 72 HG23 ILE 9 HG23 ILE 9 4.199 8.667 1.172 73 HD11 ILE 9 HD11 ILE 9 5.033 10.837 0.642 74 HD12 ILE 9 HD12 ILE 9 3.836 12.026 0.115 75 HD13 ILE 9 HD13 ILE 9 5.387 11.910 -0.698 76 H LEU 10 HN LEU 10 2.602 5.949 -2.556 77 HA LEU 10 HA LEU 10 -0.031 5.156 -1.397 78 HB2 LEU 10 HB2 LEU 10 1.144 5.011 -4.102 79 HB3 LEU 10 HB1 LEU 10 0.406 3.506 -3.576 80 HG LEU 10 HG LEU 10 -0.956 5.286 -5.024 81 HD11 LEU 10 HD11 LEU 10 -1.714 3.185 -4.442 82 HD12 LEU 10 HD12 LEU 10 -2.946 4.398 -4.155 83 HD13 LEU 10 HD13 LEU 10 -2.079 3.711 -2.794 84 HD21 LEU 10 HD21 LEU 10 -1.708 6.245 -2.198 85 HD22 LEU 10 HD22 LEU 10 -2.439 6.731 -3.701 86 HD23 LEU 10 HD23 LEU 10 -0.795 7.226 -3.348 87 H PHE 11 HN PHE 11 0.256 3.576 0.270 88 HA PHE 11 HA PHE 11 2.397 1.658 0.177 89 HB2 PHE 11 HB2 PHE 11 1.769 2.582 2.270 90 HB3 PHE 11 HB1 PHE 11 0.112 2.049 2.107 91 HD1 PHE 11 HD2 PHE 11 3.540 1.128 3.050 92 HD2 PHE 11 HD1 PHE 11 -0.495 -0.267 2.693 93 HE1 PHE 11 HE2 PHE 11 4.032 -0.706 4.564 94 HE2 PHE 11 HE1 PHE 11 0.020 -2.077 4.254 95 HZ PHE 11 HZ PHE 11 2.286 -2.330 5.162 96 H VAL 12 HN VAL 12 2.226 -0.546 -0.027 97 HA VAL 12 HA VAL 12 -0.179 -1.715 -1.276 98 HB VAL 12 HB VAL 12 2.578 -1.936 -2.623 99 HG11 VAL 12 HG11 VAL 12 1.674 -4.217 -2.576 100 HG12 VAL 12 HG12 VAL 12 1.809 -3.561 -4.198 101 HG13 VAL 12 HG13 VAL 12 0.236 -3.632 -3.430 102 HG21 VAL 12 HG21 VAL 12 0.846 -0.082 -3.358 103 HG22 VAL 12 HG22 VAL 12 0.095 -1.426 -4.202 104 HG23 VAL 12 HG23 VAL 12 1.750 -1.002 -4.544 105 H GLY 13 HN GLY 13 -0.265 -4.314 -0.967 106 HA2 GLY 13 HA2 GLY 13 0.834 -4.955 1.675 107 HA3 GLY 13 HA1 GLY 13 -0.470 -5.773 0.868 108 H GLY 14 HN GLY 14 0.690 -7.696 1.638 109 HA2 GLY 14 HA2 GLY 14 3.151 -8.448 0.437 110 HA3 GLY 14 HA1 GLY 14 2.066 -9.495 1.291 111 H ILE 15 HN ILE 15 3.529 -9.326 -1.492 112 HA ILE 15 HA ILE 15 1.204 -10.128 -3.070 113 HB ILE 15 HB ILE 15 3.249 -9.508 -4.913 114 HG12 ILE 15 HG12 ILE 15 3.265 -7.684 -2.559 115 HG13 ILE 15 HG11 ILE 15 4.514 -8.002 -3.737 116 HG21 ILE 15 HG21 ILE 15 1.625 -7.981 -5.793 117 HG22 ILE 15 HG22 ILE 15 0.782 -7.915 -4.249 118 HG23 ILE 15 HG23 ILE 15 0.782 -9.411 -5.184 119 HD11 ILE 15 HD11 ILE 15 2.276 -6.026 -3.896 120 HD12 ILE 15 HD12 ILE 15 3.253 -6.463 -5.295 121 HD13 ILE 15 HD13 ILE 15 4.013 -5.734 -3.895 122 H ASP 16 HN ASP 16 1.848 -11.512 -5.039 123 HA ASP 16 HA ASP 16 2.516 -14.066 -4.125 124 HB2 ASP 16 HB2 ASP 16 2.180 -14.688 -6.500 125 HB3 ASP 16 HB1 ASP 16 0.969 -13.520 -6.016 126 H GLU 17 HN GLU 17 4.355 -15.508 -4.977 127 HA GLU 17 HA GLU 17 6.789 -13.929 -4.960 128 HB2 GLU 17 HB2 GLU 17 7.989 -16.206 -4.704 129 HB3 GLU 17 HB1 GLU 17 6.881 -15.764 -3.406 130 HG2 GLU 17 HG2 GLU 17 5.165 -17.196 -4.662 131 HG3 GLU 17 HG1 GLU 17 6.556 -17.828 -5.549 132 H THR 18 HN THR 18 5.082 -14.628 -7.762 133 HA THR 18 HA THR 18 7.694 -14.959 -9.132 134 HB THR 18 HB THR 18 6.191 -16.881 -9.721 135 HG1 THR 18 HG1 THR 18 7.168 -16.968 -11.577 136 HG21 THR 18 HG21 THR 18 4.596 -14.808 -11.270 137 HG22 THR 18 HG22 THR 18 3.973 -15.959 -10.086 138 HG23 THR 18 HG23 THR 18 4.591 -16.525 -11.624 139 H ILE 19 HN ILE 19 6.184 -12.357 -8.273 140 HA ILE 19 HA ILE 19 6.430 -10.910 -10.803 141 HB ILE 19 HB ILE 19 5.435 -8.889 -9.818 142 HG12 ILE 19 HG12 ILE 19 5.308 -8.396 -7.617 143 HG13 ILE 19 HG11 ILE 19 4.112 -9.660 -7.405 144 HG21 ILE 19 HG21 ILE 19 3.681 -11.277 -9.294 145 HG22 ILE 19 HG22 ILE 19 3.861 -10.405 -10.810 146 HG23 ILE 19 HG23 ILE 19 3.131 -9.615 -9.418 147 HD11 ILE 19 HD11 ILE 19 5.482 -10.556 -5.934 148 HD12 ILE 19 HD12 ILE 19 6.741 -9.386 -6.319 149 HD13 ILE 19 HD13 ILE 19 6.631 -10.880 -7.223 150 H ASP 20 HN ASP 20 7.628 -8.793 -10.728 151 HA ASP 20 HA ASP 20 9.825 -8.735 -8.824 152 HB2 ASP 20 HB2 ASP 20 10.319 -10.166 -10.942 153 HB3 ASP 20 HB1 ASP 20 10.497 -8.651 -11.782 154 H GLU 21 HN GLU 21 11.379 -6.746 -9.730 155 HA GLU 21 HA GLU 21 10.140 -4.331 -9.268 156 HB2 GLU 21 HB2 GLU 21 12.716 -4.852 -9.588 157 HB3 GLU 21 HB1 GLU 21 12.423 -4.420 -11.244 158 HG2 GLU 21 HG2 GLU 21 11.716 -2.447 -9.127 159 HG3 GLU 21 HG1 GLU 21 13.388 -2.670 -9.597 160 H LYS 22 HN LYS 22 10.860 -5.313 -12.659 161 HA LYS 22 HA LYS 22 9.610 -3.037 -13.734 162 HB2 LYS 22 HB2 LYS 22 9.888 -3.874 -15.920 163 HB3 LYS 22 HB1 LYS 22 11.311 -4.280 -14.995 164 HG2 LYS 22 HG2 LYS 22 9.083 -6.220 -15.691 165 HG3 LYS 22 HG1 LYS 22 10.553 -6.001 -16.620 166 HD2 LYS 22 HD2 LYS 22 10.477 -6.973 -13.743 167 HD3 LYS 22 HD1 LYS 22 10.635 -7.991 -15.169 168 HE2 LYS 22 HE2 LYS 22 12.577 -5.837 -14.347 169 HE3 LYS 22 HE1 LYS 22 12.810 -7.566 -14.122 170 HZ1 LYS 22 HZ1 LYS 22 13.980 -6.786 -16.060 171 HZ2 LYS 22 HZ2 LYS 22 12.554 -6.161 -16.721 172 HZ3 LYS 22 HZ3 LYS 22 12.735 -7.830 -16.528 173 H SER 23 HN SER 23 8.251 -6.240 -13.217 174 HA SER 23 HA SER 23 5.825 -5.942 -14.542 175 HB2 SER 23 HB2 SER 23 5.297 -7.666 -12.373 176 HB3 SER 23 HB1 SER 23 5.850 -8.103 -13.990 177 HG SER 23 HG SER 23 7.523 -7.404 -11.805 178 H LEU 24 HN LEU 24 6.620 -4.772 -11.219 179 HA LEU 24 HA LEU 24 3.836 -4.046 -10.762 180 HB2 LEU 24 HB2 LEU 24 6.231 -3.637 -8.972 181 HB3 LEU 24 HB1 LEU 24 4.637 -3.029 -8.611 182 HG LEU 24 HG LEU 24 5.114 -5.946 -9.180 183 HD11 LEU 24 HD11 LEU 24 5.257 -6.419 -6.790 184 HD12 LEU 24 HD12 LEU 24 5.188 -4.706 -6.421 185 HD13 LEU 24 HD13 LEU 24 6.589 -5.369 -7.258 186 HD21 LEU 24 HD21 LEU 24 2.778 -5.270 -9.231 187 HD22 LEU 24 HD22 LEU 24 2.931 -4.555 -7.636 188 HD23 LEU 24 HD23 LEU 24 3.076 -6.282 -7.835 189 H TYR 25 HN TYR 25 6.368 -2.620 -12.366 190 HA TYR 25 HA TYR 25 5.474 0.141 -12.357 191 HB2 TYR 25 HB2 TYR 25 7.787 -0.403 -13.277 192 HB3 TYR 25 HB1 TYR 25 7.073 -1.283 -14.610 193 HD1 TYR 25 HD2 TYR 25 5.225 0.590 -15.891 194 HD2 TYR 25 HD1 TYR 25 9.006 1.354 -14.018 195 HE1 TYR 25 HE2 TYR 25 5.518 2.571 -17.295 196 HE2 TYR 25 HE1 TYR 25 9.271 3.352 -15.435 197 HH TYR 25 HH TYR 25 6.735 4.652 -17.334 198 H ASP 26 HN ASP 26 5.125 -2.341 -15.029 199 HA ASP 26 HA ASP 26 3.280 -0.889 -16.486 200 HB2 ASP 26 HB2 ASP 26 4.553 -3.523 -16.788 201 HB3 ASP 26 HB1 ASP 26 3.028 -3.309 -17.631 202 H ILE 27 HN ILE 27 2.325 -3.462 -14.124 203 HA ILE 27 HA ILE 27 -0.309 -3.521 -15.149 204 HB ILE 27 HB ILE 27 0.445 -4.415 -12.285 205 HG12 ILE 27 HG12 ILE 27 -0.107 -6.617 -14.114 206 HG13 ILE 27 HG11 ILE 27 1.213 -5.697 -14.792 207 HG21 ILE 27 HG21 ILE 27 -1.565 -5.796 -12.455 208 HG22 ILE 27 HG22 ILE 27 -1.901 -5.107 -14.034 209 HG23 ILE 27 HG23 ILE 27 -1.930 -4.097 -12.603 210 HD11 ILE 27 HD11 ILE 27 2.540 -6.127 -12.757 211 HD12 ILE 27 HD12 ILE 27 1.977 -7.614 -13.507 212 HD13 ILE 27 HD13 ILE 27 1.187 -7.018 -12.052 213 H PHE 28 HN PHE 28 1.101 -1.382 -12.537 214 HA PHE 28 HA PHE 28 -1.419 -0.021 -12.293 215 HB2 PHE 28 HB2 PHE 28 1.294 0.298 -11.145 216 HB3 PHE 28 HB1 PHE 28 0.120 1.586 -10.960 217 HD1 PHE 28 HD2 PHE 28 0.496 -2.070 -10.349 218 HD2 PHE 28 HD1 PHE 28 -1.178 1.650 -9.070 219 HE1 PHE 28 HE2 PHE 28 -0.305 -3.137 -8.300 220 HE2 PHE 28 HE1 PHE 28 -1.956 0.593 -6.994 221 HZ PHE 28 HZ PHE 28 -1.533 -1.812 -6.603 222 H SER 29 HN SER 29 0.937 0.223 -14.851 223 HA SER 29 HA SER 29 0.871 3.135 -14.891 224 HB2 SER 29 HB2 SER 29 2.177 2.900 -17.085 225 HB3 SER 29 HB1 SER 29 3.053 2.496 -15.607 226 HG SER 29 HG SER 29 2.383 0.953 -17.742 227 H SER 30 HN SER 30 -1.248 0.801 -15.833 228 HA SER 30 HA SER 30 -2.131 1.654 -18.367 229 HB2 SER 30 HB2 SER 30 -4.307 0.459 -17.699 230 HB3 SER 30 HB1 SER 30 -2.836 -0.515 -17.688 231 HG SER 30 HG SER 30 -2.959 -0.702 -15.575 232 H PHE 31 HN PHE 31 -3.275 2.717 -15.082 233 HA PHE 31 HA PHE 31 -4.575 4.968 -16.397 234 HB2 PHE 31 HB2 PHE 31 -4.600 3.857 -13.652 235 HB3 PHE 31 HB1 PHE 31 -4.829 5.592 -13.801 236 HD1 PHE 31 HD1 PHE 31 -6.736 6.430 -15.203 237 HD2 PHE 31 HD2 PHE 31 -6.329 2.352 -14.050 238 HE1 PHE 31 HE1 PHE 31 -9.135 6.077 -15.619 239 HE2 PHE 31 HE2 PHE 31 -8.724 1.990 -14.475 240 HZ PHE 31 HZ PHE 31 -10.131 3.853 -15.259 241 H GLY 32 HN GLY 32 -1.744 4.484 -14.265 242 HA2 GLY 32 HA2 GLY 32 -0.901 7.259 -14.837 243 HA3 GLY 32 HA1 GLY 32 -0.882 6.576 -13.247 244 H ASP 33 HN ASP 33 1.121 7.262 -15.751 245 HA ASP 33 HA ASP 33 3.110 5.268 -15.542 246 HB2 ASP 33 HB2 ASP 33 3.328 8.149 -16.415 247 HB3 ASP 33 HB1 ASP 33 4.718 7.080 -16.351 248 H ILE 34 HN ILE 34 5.470 5.756 -14.575 249 HA ILE 34 HA ILE 34 4.758 6.092 -11.722 250 HB ILE 34 HB ILE 34 6.131 3.754 -13.091 251 HG12 ILE 34 HG12 ILE 34 3.811 3.190 -12.911 252 HG13 ILE 34 HG11 ILE 34 4.588 2.368 -11.586 253 HG21 ILE 34 HG21 ILE 34 6.731 2.677 -11.049 254 HG22 ILE 34 HG22 ILE 34 6.278 4.102 -10.136 255 HG23 ILE 34 HG23 ILE 34 7.602 4.178 -11.295 256 HD11 ILE 34 HD11 ILE 34 2.445 4.140 -11.460 257 HD12 ILE 34 HD12 ILE 34 3.758 4.895 -10.607 258 HD13 ILE 34 HD13 ILE 34 3.259 3.292 -10.149 259 H ARG 35 HN ARG 35 6.292 7.058 -10.188 260 HA ARG 35 HA ARG 35 8.601 8.481 -11.263 261 HB2 ARG 35 HB2 ARG 35 6.939 8.923 -8.977 262 HB3 ARG 35 HB1 ARG 35 8.538 8.607 -8.323 263 HG2 ARG 35 HG2 ARG 35 9.446 10.539 -9.143 264 HG3 ARG 35 HG1 ARG 35 8.286 10.723 -10.423 265 HD2 ARG 35 HD2 ARG 35 7.069 10.872 -7.772 266 HD3 ARG 35 HD1 ARG 35 8.321 12.073 -8.044 267 HE ARG 35 HE ARG 35 6.061 11.734 -9.906 268 HH11 ARG 35 HH12 ARG 35 8.079 13.785 -7.897 269 HH12 ARG 35 HH11 ARG 35 7.340 15.253 -8.432 270 HH21 ARG 35 HH22 ARG 35 5.063 13.703 -10.587 271 HH22 ARG 35 HH21 ARG 35 5.635 15.211 -9.953 272 H ASN 36 HN ASN 36 8.526 5.633 -8.952 273 HA ASN 36 HA ASN 36 11.183 4.913 -9.085 274 HB2 ASN 36 HB2 ASN 36 11.604 7.221 -8.139 275 HB3 ASN 36 HB1 ASN 36 10.728 6.745 -6.704 276 HD21 ASN 36 HD21 ASN 36 12.430 6.939 -5.184 277 HD22 ASN 36 HD22 ASN 36 13.811 5.895 -5.260 278 H ILE 37 HN ILE 37 11.637 3.228 -6.947 279 HA ILE 37 HA ILE 37 9.114 2.379 -5.808 280 HB ILE 37 HB ILE 37 9.856 1.359 -8.456 281 HG12 ILE 37 HG12 ILE 37 7.443 0.405 -7.042 282 HG13 ILE 37 HG11 ILE 37 7.628 2.134 -7.355 283 HG21 ILE 37 HG21 ILE 37 9.555 -0.977 -8.302 284 HG22 ILE 37 HG22 ILE 37 9.336 -0.924 -6.552 285 HG23 ILE 37 HG23 ILE 37 10.908 -0.547 -7.257 286 HD11 ILE 37 HD11 ILE 37 7.869 1.750 -9.665 287 HD12 ILE 37 HD12 ILE 37 6.447 0.873 -9.136 288 HD13 ILE 37 HD13 ILE 37 7.955 0.021 -9.416 289 H GLU 38 HN GLU 38 9.473 1.215 -3.916 290 HA GLU 38 HA GLU 38 12.123 -0.055 -3.671 291 HB2 GLU 38 HB2 GLU 38 12.172 1.930 -2.223 292 HB3 GLU 38 HB1 GLU 38 10.693 1.484 -1.441 293 HG2 GLU 38 HG2 GLU 38 11.827 -0.344 -0.306 294 HG3 GLU 38 HG1 GLU 38 13.291 -0.013 -1.229 295 H VAL 39 HN VAL 39 11.407 -2.120 -4.245 296 HA VAL 39 HA VAL 39 10.144 -3.412 -1.909 297 HB VAL 39 HB VAL 39 8.526 -3.827 -3.628 298 HG11 VAL 39 HG11 VAL 39 9.695 -3.282 -5.638 299 HG12 VAL 39 HG12 VAL 39 9.052 -4.916 -5.789 300 HG13 VAL 39 HG13 VAL 39 10.766 -4.673 -5.447 301 HG21 VAL 39 HG21 VAL 39 10.270 -6.283 -3.415 302 HG22 VAL 39 HG22 VAL 39 8.598 -6.279 -3.966 303 HG23 VAL 39 HG23 VAL 39 8.979 -5.825 -2.309 304 HA PRO 40 HA PRO 40 14.221 -5.476 -1.909 305 HB2 PRO 40 HB2 PRO 40 14.001 -6.638 0.521 306 HB3 PRO 40 HB1 PRO 40 14.311 -4.899 0.384 307 HG2 PRO 40 HG2 PRO 40 11.740 -6.282 0.879 308 HG3 PRO 40 HG1 PRO 40 12.455 -4.888 1.707 309 HD2 PRO 40 HD2 PRO 40 10.596 -4.623 -0.193 310 HD3 PRO 40 HD1 PRO 40 11.848 -3.457 0.086 311 H LEU 41 HN LEU 41 14.673 -7.664 -2.557 312 HA LEU 41 HA LEU 41 12.533 -9.612 -2.131 313 HB2 LEU 41 HB2 LEU 41 12.875 -8.428 -4.756 314 HB3 LEU 41 HB1 LEU 41 13.392 -10.097 -4.841 315 HG LEU 41 HG LEU 41 11.230 -10.936 -4.541 316 HD11 LEU 41 HD11 LEU 41 10.089 -8.333 -3.497 317 HD12 LEU 41 HD12 LEU 41 10.496 -9.699 -2.464 318 HD13 LEU 41 HD13 LEU 41 9.264 -9.864 -3.706 319 HD21 LEU 41 HD21 LEU 41 10.644 -8.293 -5.813 320 HD22 LEU 41 HD22 LEU 41 9.797 -9.816 -6.041 321 HD23 LEU 41 HD23 LEU 41 11.441 -9.639 -6.638 322 H ASN 42 HN ASN 42 13.512 -11.869 -2.021 323 HA ASN 42 HA ASN 42 16.338 -11.398 -1.409 324 HB2 ASN 42 HB2 ASN 42 14.746 -11.691 0.657 325 HB3 ASN 42 HB1 ASN 42 14.679 -13.386 0.217 326 HD21 ASN 42 HD21 ASN 42 15.557 -13.740 2.288 327 HD22 ASN 42 HD22 ASN 42 17.263 -13.646 2.522 328 H MET 43 HN MET 43 17.825 -12.983 -2.349 329 HA MET 43 HA MET 43 16.590 -14.210 -4.589 330 HB2 MET 43 HB2 MET 43 19.057 -13.155 -4.231 331 HB3 MET 43 HB1 MET 43 19.481 -14.831 -3.937 332 HG2 MET 43 HG2 MET 43 17.982 -14.677 -6.395 333 HG3 MET 43 HG1 MET 43 19.299 -13.490 -6.407 334 HE1 MET 43 HE1 MET 43 21.622 -14.751 -4.745 335 HE2 MET 43 HE2 MET 43 21.780 -14.003 -6.334 336 HE3 MET 43 HE3 MET 43 22.485 -15.592 -6.033 337 H THR 44 HN THR 44 16.608 -15.700 -1.573 338 HA THR 44 HA THR 44 17.050 -18.333 -2.732 339 HB THR 44 HB THR 44 16.586 -17.652 0.222 340 HG1 THR 44 HG1 THR 44 18.765 -17.897 -1.396 341 HG21 THR 44 HG21 THR 44 15.654 -19.915 -0.157 342 HG22 THR 44 HG22 THR 44 17.134 -19.946 0.801 343 HG23 THR 44 HG23 THR 44 17.191 -20.408 -0.893 344 H THR 45 HN THR 45 14.209 -16.670 -1.157 345 HA THR 45 HA THR 45 12.626 -18.493 -2.791 346 HB THR 45 HB THR 45 12.430 -19.550 -0.755 347 HG1 THR 45 HG1 THR 45 10.208 -18.312 -1.700 348 HG21 THR 45 HG21 THR 45 11.878 -16.924 0.646 349 HG22 THR 45 HG22 THR 45 13.134 -18.141 0.975 350 HG23 THR 45 HG23 THR 45 11.450 -18.489 1.323 351 H LYS 46 HN LYS 46 13.303 -15.398 -2.956 352 HA LYS 46 HA LYS 46 12.318 -13.374 -3.422 353 HB2 LYS 46 HB2 LYS 46 12.046 -14.840 -5.438 354 HB3 LYS 46 HB1 LYS 46 10.460 -15.340 -4.883 355 HG2 LYS 46 HG2 LYS 46 9.588 -13.728 -6.074 356 HG3 LYS 46 HG1 LYS 46 10.347 -12.530 -5.070 357 HD2 LYS 46 HD2 LYS 46 11.044 -11.886 -7.176 358 HD3 LYS 46 HD1 LYS 46 12.389 -12.914 -6.726 359 HE2 LYS 46 HE2 LYS 46 11.385 -14.755 -7.984 360 HE3 LYS 46 HE1 LYS 46 10.039 -13.703 -8.425 361 HZ1 LYS 46 HZ1 LYS 46 11.642 -13.767 -10.193 362 HZ2 LYS 46 HZ2 LYS 46 12.887 -13.304 -9.153 363 HZ3 LYS 46 HZ3 LYS 46 11.640 -12.221 -9.506 364 H LYS 47 HN LYS 47 11.434 -14.320 -0.852 365 HA LYS 47 HA LYS 47 8.712 -13.643 -0.467 366 HB2 LYS 47 HB2 LYS 47 9.546 -13.498 2.027 367 HB3 LYS 47 HB1 LYS 47 9.536 -15.044 1.216 368 HG2 LYS 47 HG2 LYS 47 11.533 -15.049 2.385 369 HG3 LYS 47 HG1 LYS 47 12.051 -14.619 0.769 370 HD2 LYS 47 HD2 LYS 47 13.241 -13.274 2.356 371 HD3 LYS 47 HD1 LYS 47 12.123 -12.211 1.495 372 HE2 LYS 47 HE2 LYS 47 12.160 -11.721 3.898 373 HE3 LYS 47 HE1 LYS 47 10.575 -12.314 3.411 374 HZ1 LYS 47 HZ1 LYS 47 12.690 -13.881 4.805 375 HZ2 LYS 47 HZ2 LYS 47 11.229 -14.526 4.258 376 HZ3 LYS 47 HZ3 LYS 47 11.227 -13.356 5.477 377 H ASN 48 HN ASN 48 7.725 -11.656 0.092 378 HA ASN 48 HA ASN 48 9.581 -9.362 -0.186 379 HB2 ASN 48 HB2 ASN 48 7.642 -7.924 -0.712 380 HB3 ASN 48 HB1 ASN 48 7.899 -9.218 -1.878 381 HD21 ASN 48 HD21 ASN 48 6.375 -10.835 -2.052 382 HD22 ASN 48 HD22 ASN 48 4.859 -10.774 -1.220 383 H ARG 49 HN ARG 49 8.032 -10.986 2.271 384 HA ARG 49 HA ARG 49 7.394 -10.594 4.388 385 HB2 ARG 49 HB2 ARG 49 8.837 -8.437 5.438 386 HB3 ARG 49 HB1 ARG 49 9.277 -10.113 5.566 387 HG2 ARG 49 HG2 ARG 49 10.610 -9.685 3.369 388 HG3 ARG 49 HG1 ARG 49 10.419 -7.980 3.768 389 HD2 ARG 49 HD2 ARG 49 11.606 -8.365 5.880 390 HD3 ARG 49 HD1 ARG 49 11.730 -10.072 5.536 391 HE ARG 49 HE ARG 49 13.473 -9.676 4.160 392 HH11 ARG 49 HH12 ARG 49 11.936 -6.557 4.743 393 HH12 ARG 49 HH11 ARG 49 13.200 -5.668 3.955 394 HH21 ARG 49 HH21 ARG 49 15.104 -8.481 3.120 395 HH22 ARG 49 HH22 ARG 49 14.989 -6.755 3.039 396 H GLY 50 HN GLY 50 5.371 -9.638 3.042 397 HA2 GLY 50 HA2 GLY 50 3.413 -8.616 3.486 398 HA3 GLY 50 HA1 GLY 50 4.107 -8.158 5.020 399 H PHE 51 HN PHE 51 5.765 -6.728 2.235 400 HA PHE 51 HA PHE 51 4.242 -4.325 2.543 401 HB2 PHE 51 HB2 PHE 51 5.256 -3.222 4.238 402 HB3 PHE 51 HB1 PHE 51 5.693 -4.826 4.712 403 HD1 PHE 51 HD2 PHE 51 8.110 -5.549 4.606 404 HD2 PHE 51 HD1 PHE 51 6.912 -1.523 3.728 405 HE1 PHE 51 HE2 PHE 51 10.403 -4.766 4.905 406 HE2 PHE 51 HE1 PHE 51 9.196 -0.792 4.076 407 HZ PHE 51 HZ PHE 51 10.949 -2.400 4.645 408 H ALA 52 HN ALA 52 4.407 -3.183 0.546 409 HA ALA 52 HA ALA 52 7.126 -2.637 -0.523 410 HB1 ALA 52 HB1 ALA 52 6.339 -2.864 -2.819 411 HB2 ALA 52 HB2 ALA 52 4.679 -3.064 -2.304 412 HB3 ALA 52 HB3 ALA 52 5.839 -4.325 -1.987 413 H PHE 53 HN PHE 53 7.432 -0.514 -1.363 414 HA PHE 53 HA PHE 53 5.340 1.481 -0.898 415 HB2 PHE 53 HB2 PHE 53 8.323 1.772 -1.356 416 HB3 PHE 53 HB1 PHE 53 7.218 3.128 -1.145 417 HD1 PHE 53 HD1 PHE 53 5.979 3.270 1.149 418 HD2 PHE 53 HD2 PHE 53 9.327 0.755 0.430 419 HE1 PHE 53 HE1 PHE 53 6.430 3.165 3.558 420 HE2 PHE 53 HE2 PHE 53 9.808 0.676 2.802 421 HZ PHE 53 HZ PHE 53 8.340 1.867 4.396 422 H VAL 54 HN VAL 54 4.613 2.982 -2.688 423 HA VAL 54 HA VAL 54 5.799 2.574 -5.337 424 HB VAL 54 HB VAL 54 2.838 1.967 -4.916 425 HG11 VAL 54 HG11 VAL 54 2.332 1.924 -7.258 426 HG12 VAL 54 HG12 VAL 54 3.897 2.589 -7.670 427 HG13 VAL 54 HG13 VAL 54 2.734 3.564 -6.778 428 HG21 VAL 54 HG21 VAL 54 4.971 0.543 -6.341 429 HG22 VAL 54 HG22 VAL 54 3.267 0.184 -6.484 430 HG23 VAL 54 HG23 VAL 54 4.061 0.049 -4.936 431 H GLU 55 HN GLU 55 6.375 4.792 -5.958 432 HA GLU 55 HA GLU 55 4.552 6.927 -5.211 433 HB2 GLU 55 HB2 GLU 55 7.354 6.523 -5.702 434 HB3 GLU 55 HB1 GLU 55 6.785 7.836 -6.737 435 HG2 GLU 55 HG2 GLU 55 7.853 8.345 -4.498 436 HG3 GLU 55 HG1 GLU 55 6.463 9.255 -4.948 437 H TYR 56 HN TYR 56 2.968 7.831 -6.723 438 HA TYR 56 HA TYR 56 3.012 7.030 -9.501 439 HB2 TYR 56 HB2 TYR 56 0.947 8.071 -7.660 440 HB3 TYR 56 HB1 TYR 56 0.963 8.982 -9.160 441 HD1 TYR 56 HD1 TYR 56 1.014 5.273 -8.242 442 HD2 TYR 56 HD2 TYR 56 -0.562 8.389 -10.687 443 HE1 TYR 56 HE1 TYR 56 -0.608 3.717 -9.169 444 HE2 TYR 56 HE2 TYR 56 -2.125 6.831 -11.642 445 HH TYR 56 HH TYR 56 -2.705 3.712 -10.370 446 H VAL 57 HN VAL 57 2.508 8.910 -11.365 447 HA VAL 57 HA VAL 57 4.009 11.349 -10.788 448 HB VAL 57 HB VAL 57 3.055 10.167 -13.406 449 HG11 VAL 57 HG11 VAL 57 2.141 12.273 -13.971 450 HG12 VAL 57 HG12 VAL 57 3.766 12.286 -14.630 451 HG13 VAL 57 HG13 VAL 57 3.433 13.149 -13.139 452 HG21 VAL 57 HG21 VAL 57 5.192 10.731 -14.238 453 HG22 VAL 57 HG22 VAL 57 5.405 9.988 -12.672 454 HG23 VAL 57 HG23 VAL 57 5.547 11.726 -12.841 455 H GLU 58 HN GLU 58 0.496 10.597 -10.828 456 HA GLU 58 HA GLU 58 -0.030 13.440 -11.251 457 HB2 GLU 58 HB2 GLU 58 -2.283 12.453 -12.322 458 HB3 GLU 58 HB1 GLU 58 -0.914 12.776 -13.290 459 HG2 GLU 58 HG2 GLU 58 -1.455 10.036 -12.169 460 HG3 GLU 58 HG1 GLU 58 -2.147 10.599 -13.678 461 H VAL 59 HN VAL 59 -1.373 14.432 -9.534 462 HA VAL 59 HA VAL 59 -1.931 12.612 -7.420 463 HB VAL 59 HB VAL 59 -1.461 14.250 -6.099 464 HG11 VAL 59 HG11 VAL 59 -1.462 16.256 -8.288 465 HG12 VAL 59 HG12 VAL 59 -0.102 15.250 -7.782 466 HG13 VAL 59 HG13 VAL 59 -0.769 16.455 -6.693 467 HG21 VAL 59 HG21 VAL 59 -2.683 16.290 -5.583 468 HG22 VAL 59 HG22 VAL 59 -3.770 14.914 -5.655 469 HG23 VAL 59 HG23 VAL 59 -3.692 16.057 -6.991 470 H ASP 60 HN ASP 60 -4.336 13.994 -9.731 471 HA ASP 60 HA ASP 60 -6.591 13.206 -8.068 472 HB2 ASP 60 HB2 ASP 60 -6.879 14.919 -9.879 473 HB3 ASP 60 HB1 ASP 60 -6.714 13.635 -11.075 474 H ASP 61 HN ASP 61 -5.469 11.722 -11.127 475 HA ASP 61 HA ASP 61 -6.577 9.275 -11.098 476 HB2 ASP 61 HB2 ASP 61 -3.673 9.702 -11.898 477 HB3 ASP 61 HB1 ASP 61 -4.716 8.388 -12.414 478 H ALA 62 HN ALA 62 -3.489 9.843 -9.275 479 HA ALA 62 HA ALA 62 -3.082 7.592 -7.925 480 HB1 ALA 62 HB1 ALA 62 -1.852 9.690 -7.518 481 HB2 ALA 62 HB2 ALA 62 -2.264 8.839 -6.053 482 HB3 ALA 62 HB3 ALA 62 -3.176 10.253 -6.516 483 H LYS 63 HN LYS 63 -5.211 9.984 -6.453 484 HA LYS 63 HA LYS 63 -6.475 8.520 -4.448 485 HB2 LYS 63 HB2 LYS 63 -7.405 10.906 -5.967 486 HB3 LYS 63 HB1 LYS 63 -8.665 9.957 -5.267 487 HG2 LYS 63 HG2 LYS 63 -8.258 11.707 -3.768 488 HG3 LYS 63 HG1 LYS 63 -7.594 10.278 -3.005 489 HD2 LYS 63 HD2 LYS 63 -5.341 11.061 -3.358 490 HD3 LYS 63 HD1 LYS 63 -5.881 12.319 -4.478 491 HE2 LYS 63 HE2 LYS 63 -6.804 12.224 -1.627 492 HE3 LYS 63 HE1 LYS 63 -5.289 12.997 -2.086 493 HZ1 LYS 63 HZ1 LYS 63 -6.480 14.492 -3.514 494 HZ2 LYS 63 HZ2 LYS 63 -7.185 14.545 -1.980 495 HZ3 LYS 63 HZ3 LYS 63 -7.944 13.696 -3.231 496 H HIS 64 HN HIS 64 -7.919 8.714 -7.754 497 HA HIS 64 HA HIS 64 -9.936 6.883 -7.143 498 HB2 HIS 64 HB2 HIS 64 -9.150 8.055 -9.689 499 HB3 HIS 64 HB1 HIS 64 -9.918 6.492 -9.779 500 HD1 HIS 64 HD1 HIS 64 -11.966 6.714 -7.552 501 HD2 HIS 64 HD2 HIS 64 -11.173 9.753 -10.251 502 HE1 HIS 64 HE1 HIS 64 -14.001 8.180 -7.534 503 HE2 HIS 64 HE2 HIS 64 -13.486 10.042 -9.142 504 H ALA 65 HN ALA 65 -6.676 6.119 -8.497 505 HA ALA 65 HA ALA 65 -7.177 3.433 -9.015 506 HB1 ALA 65 HB1 ALA 65 -5.157 4.411 -9.843 507 HB2 ALA 65 HB2 ALA 65 -4.769 3.003 -8.864 508 HB3 ALA 65 HB3 ALA 65 -4.517 4.614 -8.211 509 H LEU 66 HN LEU 66 -5.766 4.646 -5.897 510 HA LEU 66 HA LEU 66 -5.741 2.152 -4.755 511 HB2 LEU 66 HB2 LEU 66 -4.579 3.020 -3.128 512 HB3 LEU 66 HB1 LEU 66 -4.817 4.573 -3.831 513 HG LEU 66 HG LEU 66 -6.786 4.832 -2.101 514 HD11 LEU 66 HD11 LEU 66 -6.728 3.543 -0.147 515 HD12 LEU 66 HD12 LEU 66 -5.222 2.752 -0.596 516 HD13 LEU 66 HD13 LEU 66 -6.714 2.347 -1.437 517 HD21 LEU 66 HD21 LEU 66 -5.056 5.294 -0.274 518 HD22 LEU 66 HD22 LEU 66 -4.820 6.149 -1.789 519 HD23 LEU 66 HD23 LEU 66 -3.851 4.734 -1.421 520 H TYR 67 HN TYR 67 -8.649 4.300 -4.535 521 HA TYR 67 HA TYR 67 -10.159 2.536 -3.006 522 HB2 TYR 67 HB2 TYR 67 -10.713 4.865 -4.182 523 HB3 TYR 67 HB1 TYR 67 -11.466 3.809 -5.366 524 HD1 TYR 67 HD1 TYR 67 -13.347 2.305 -4.631 525 HD2 TYR 67 HD2 TYR 67 -11.695 5.306 -2.093 526 HE1 TYR 67 HE1 TYR 67 -15.318 2.171 -3.180 527 HE2 TYR 67 HE2 TYR 67 -13.659 5.164 -0.636 528 HH TYR 67 HH TYR 67 -16.032 4.463 -0.797 529 H ASN 68 HN ASN 68 -9.734 2.391 -6.566 530 HA ASN 68 HA ASN 68 -11.126 -0.059 -6.887 531 HB2 ASN 68 HB2 ASN 68 -10.568 1.608 -8.781 532 HB3 ASN 68 HB1 ASN 68 -8.981 0.835 -8.871 533 HD21 ASN 68 HD21 ASN 68 -8.776 -1.129 -9.813 534 HD22 ASN 68 HD22 ASN 68 -10.062 -1.933 -10.621 535 H MET 69 HN MET 69 -8.202 0.126 -5.201 536 HA MET 69 HA MET 69 -7.098 -2.236 -6.574 537 HB2 MET 69 HB2 MET 69 -5.728 0.061 -5.212 538 HB3 MET 69 HB1 MET 69 -4.925 -1.497 -5.262 539 HG2 MET 69 HG2 MET 69 -5.667 0.301 -7.575 540 HG3 MET 69 HG1 MET 69 -4.093 -0.302 -7.095 541 HE1 MET 69 HE1 MET 69 -5.143 -0.320 -10.091 542 HE2 MET 69 HE2 MET 69 -4.666 -1.930 -10.629 543 HE3 MET 69 HE3 MET 69 -3.561 -0.963 -9.649 544 H ASN 70 HN ASN 70 -8.852 -1.549 -3.859 545 HA ASN 70 HA ASN 70 -7.504 -3.254 -2.008 546 HB2 ASN 70 HB2 ASN 70 -9.730 -3.058 -0.701 547 HB3 ASN 70 HB1 ASN 70 -8.727 -1.637 -0.851 548 HD21 ASN 70 HD21 ASN 70 -9.993 -0.019 -0.801 549 HD22 ASN 70 HD22 ASN 70 -11.419 0.230 -1.752 550 H ASN 71 HN ASN 71 -10.435 -3.782 -4.045 551 HA ASN 71 HA ASN 71 -10.501 -6.551 -3.133 552 HB2 ASN 71 HB2 ASN 71 -12.592 -6.734 -4.393 553 HB3 ASN 71 HB1 ASN 71 -12.604 -5.328 -3.330 554 HD21 ASN 71 HD21 ASN 71 -12.712 -3.247 -4.235 555 HD22 ASN 71 HD22 ASN 71 -13.018 -3.004 -5.921 556 H PHE 72 HN PHE 72 -8.483 -5.246 -5.150 557 HA PHE 72 HA PHE 72 -8.822 -6.905 -7.504 558 HB2 PHE 72 HB2 PHE 72 -8.182 -4.740 -8.120 559 HB3 PHE 72 HB1 PHE 72 -7.061 -4.561 -6.790 560 HD1 PHE 72 HD1 PHE 72 -7.607 -6.010 -10.124 561 HD2 PHE 72 HD2 PHE 72 -4.763 -5.115 -7.086 562 HE1 PHE 72 HE1 PHE 72 -5.779 -6.378 -11.725 563 HE2 PHE 72 HE2 PHE 72 -2.933 -5.489 -8.680 564 HZ PHE 72 HZ PHE 72 -3.440 -6.120 -11.010 565 H GLU 73 HN GLU 73 -7.784 -8.950 -7.690 566 HA GLU 73 HA GLU 73 -5.685 -9.488 -5.776 567 HB2 GLU 73 HB2 GLU 73 -6.810 -11.343 -5.238 568 HB3 GLU 73 HB1 GLU 73 -8.112 -10.725 -6.189 569 HG2 GLU 73 HG2 GLU 73 -7.089 -12.138 -8.094 570 HG3 GLU 73 HG1 GLU 73 -6.172 -12.868 -6.782 571 H LEU 74 HN LEU 74 -3.572 -9.923 -6.517 572 HA LEU 74 HA LEU 74 -3.089 -10.022 -9.412 573 HB2 LEU 74 HB2 LEU 74 -1.669 -8.790 -7.154 574 HB3 LEU 74 HB1 LEU 74 -0.549 -9.686 -8.152 575 HG LEU 74 HG LEU 74 -2.396 -7.503 -9.172 576 HD11 LEU 74 HD11 LEU 74 -0.811 -6.624 -7.555 577 HD12 LEU 74 HD12 LEU 74 -0.389 -6.102 -9.188 578 HD13 LEU 74 HD13 LEU 74 0.516 -7.403 -8.416 579 HD21 LEU 74 HD21 LEU 74 -0.012 -8.851 -10.497 580 HD22 LEU 74 HD22 LEU 74 -0.827 -7.414 -11.093 581 HD23 LEU 74 HD23 LEU 74 -1.696 -8.935 -11.033 582 H ASN 75 HN ASN 75 -2.864 -12.234 -10.172 583 HA ASN 75 HA ASN 75 -2.102 -14.418 -10.276 584 HB2 ASN 75 HB2 ASN 75 0.199 -13.361 -8.516 585 HB3 ASN 75 HB1 ASN 75 0.181 -14.919 -9.323 586 HD21 ASN 75 HD21 ASN 75 2.301 -14.265 -10.361 587 HD22 ASN 75 HD22 ASN 75 2.263 -13.162 -11.691 588 H GLY 76 HN GLY 76 -4.174 -14.222 -8.542 589 HA2 GLY 76 HA2 GLY 76 -5.335 -15.267 -6.924 590 HA3 GLY 76 HA1 GLY 76 -4.057 -16.434 -6.904 591 H LYS 77 HN LYS 77 -3.646 -13.058 -5.921 592 HA LYS 77 HA LYS 77 -3.445 -13.903 -3.164 593 HB2 LYS 77 HB2 LYS 77 -1.146 -14.130 -3.737 594 HB3 LYS 77 HB1 LYS 77 -1.108 -12.688 -4.712 595 HG2 LYS 77 HG2 LYS 77 -0.404 -11.455 -3.053 596 HG3 LYS 77 HG1 LYS 77 -1.615 -12.014 -1.917 597 HD2 LYS 77 HD2 LYS 77 0.941 -13.478 -2.669 598 HD3 LYS 77 HD1 LYS 77 0.748 -12.513 -1.215 599 HE2 LYS 77 HE2 LYS 77 -0.914 -14.124 -0.373 600 HE3 LYS 77 HE1 LYS 77 -0.747 -15.072 -1.851 601 HZ1 LYS 77 HZ1 LYS 77 1.539 -15.496 -1.307 602 HZ2 LYS 77 HZ2 LYS 77 0.559 -15.949 -0.002 603 HZ3 LYS 77 HZ3 LYS 77 1.443 -14.508 0.062 604 H ARG 78 HN ARG 78 -3.626 -12.072 -1.586 605 HA ARG 78 HA ARG 78 -5.193 -9.882 -2.785 606 HB2 ARG 78 HB2 ARG 78 -6.420 -11.241 -1.023 607 HB3 ARG 78 HB1 ARG 78 -5.257 -10.697 0.177 608 HG2 ARG 78 HG2 ARG 78 -7.021 -9.344 0.603 609 HG3 ARG 78 HG1 ARG 78 -6.092 -8.305 -0.468 610 HD2 ARG 78 HD2 ARG 78 -8.396 -8.191 -1.115 611 HD3 ARG 78 HD1 ARG 78 -7.554 -9.117 -2.346 612 HE ARG 78 HE ARG 78 -9.150 -10.364 -0.210 613 HH11 ARG 78 HH12 ARG 78 -8.209 -10.214 -3.596 614 HH12 ARG 78 HH11 ARG 78 -9.180 -11.573 -4.048 615 HH21 ARG 78 HH22 ARG 78 -10.405 -12.163 -0.826 616 HH22 ARG 78 HH21 ARG 78 -10.418 -12.673 -2.479 617 H ILE 79 HN ILE 79 -4.516 -7.662 -2.492 618 HA ILE 79 HA ILE 79 -2.187 -7.263 -0.719 619 HB ILE 79 HB ILE 79 -2.272 -4.880 -1.920 620 HG12 ILE 79 HG12 ILE 79 -3.217 -6.682 -4.183 621 HG13 ILE 79 HG11 ILE 79 -4.214 -5.460 -3.398 622 HG21 ILE 79 HG21 ILE 79 -0.632 -5.772 -3.623 623 HG22 ILE 79 HG22 ILE 79 -0.934 -7.350 -2.908 624 HG23 ILE 79 HG23 ILE 79 -0.286 -6.041 -1.928 625 HD11 ILE 79 HD11 ILE 79 -2.686 -3.718 -4.142 626 HD12 ILE 79 HD12 ILE 79 -3.315 -4.643 -5.508 627 HD13 ILE 79 HD13 ILE 79 -1.673 -4.930 -4.916 628 H HIS 80 HN HIS 80 -2.403 -6.120 1.144 629 HA HIS 80 HA HIS 80 -4.846 -4.587 1.614 630 HB2 HIS 80 HB2 HIS 80 -2.357 -4.862 3.383 631 HB3 HIS 80 HB1 HIS 80 -3.787 -3.957 3.833 632 HD1 HIS 80 HD1 HIS 80 -2.295 -6.853 4.806 633 HD2 HIS 80 HD2 HIS 80 -6.176 -6.118 3.489 634 HE1 HIS 80 HE1 HIS 80 -3.709 -8.701 5.753 635 HE2 HIS 80 HE2 HIS 80 -6.063 -8.114 5.105 636 H VAL 81 HN VAL 81 -5.066 -2.286 1.147 637 HA VAL 81 HA VAL 81 -2.601 -1.045 0.131 638 HB VAL 81 HB VAL 81 -5.331 -1.179 -1.267 639 HG11 VAL 81 HG11 VAL 81 -4.507 0.103 -3.131 640 HG12 VAL 81 HG12 VAL 81 -3.105 0.584 -2.215 641 HG13 VAL 81 HG13 VAL 81 -4.712 1.066 -1.681 642 HG21 VAL 81 HG21 VAL 81 -2.673 -1.934 -2.452 643 HG22 VAL 81 HG22 VAL 81 -4.243 -2.112 -3.191 644 HG23 VAL 81 HG23 VAL 81 -3.817 -3.090 -1.798 645 H ASN 82 HN ASN 82 -2.221 0.988 1.372 646 HA ASN 82 HA ASN 82 -4.586 2.581 2.098 647 HB2 ASN 82 HB2 ASN 82 -3.795 2.617 4.560 648 HB3 ASN 82 HB1 ASN 82 -4.697 1.211 4.011 649 HD21 ASN 82 HD21 ASN 82 -3.620 -0.723 3.749 650 HD22 ASN 82 HD22 ASN 82 -2.071 -1.014 4.425 651 H TYR 83 HN TYR 83 -3.661 4.463 3.735 652 HA TYR 83 HA TYR 83 -1.852 5.870 1.969 653 HB2 TYR 83 HB2 TYR 83 -3.504 7.422 2.647 654 HB3 TYR 83 HB1 TYR 83 -3.663 6.678 4.250 655 HD1 TYR 83 HD1 TYR 83 -1.349 8.916 2.210 656 HD2 TYR 83 HD2 TYR 83 -2.775 7.784 6.092 657 HE1 TYR 83 HE1 TYR 83 -0.057 10.731 3.252 658 HE2 TYR 83 HE2 TYR 83 -1.503 9.624 7.095 659 HH TYR 83 HH TYR 83 0.024 12.067 5.196 660 H SER 84 HN SER 84 0.263 7.118 3.073 661 HA SER 84 HA SER 84 1.670 5.017 4.572 662 HB2 SER 84 HB2 SER 84 2.417 6.689 2.207 663 HB3 SER 84 HB1 SER 84 3.692 6.187 3.293 664 HG SER 84 HG SER 84 2.954 4.781 1.369 665 H LYS 85 HN LYS 85 4.027 6.394 5.060 666 HA LYS 85 HA LYS 85 3.053 8.318 7.085 667 HB2 LYS 85 HB2 LYS 85 4.780 6.321 7.657 668 HB3 LYS 85 HB1 LYS 85 5.962 7.516 7.096 669 HG2 LYS 85 HG2 LYS 85 5.082 9.139 8.757 670 HG3 LYS 85 HG1 LYS 85 4.023 7.879 9.398 671 HD2 LYS 85 HD2 LYS 85 5.847 7.717 10.807 672 HD3 LYS 85 HD1 LYS 85 6.219 6.488 9.604 673 HE2 LYS 85 HE2 LYS 85 8.198 7.816 10.192 674 HE3 LYS 85 HE1 LYS 85 7.787 8.020 8.489 675 HZ1 LYS 85 HZ1 LYS 85 7.026 9.920 10.657 676 HZ2 LYS 85 HZ2 LYS 85 6.805 10.150 8.996 677 HZ3 LYS 85 HZ3 LYS 85 8.366 10.111 9.643 678 H THR 86 HN THR 86 3.074 10.476 6.291 679 HA THR 86 HA THR 86 5.594 11.585 5.599 680 HB THR 86 HB THR 86 4.957 10.598 3.396 681 HG1 THR 86 HG1 THR 86 4.775 13.376 3.009 682 HG21 THR 86 HG21 THR 86 2.497 10.832 3.488 683 HG22 THR 86 HG22 THR 86 3.177 11.546 2.033 684 HG23 THR 86 HG23 THR 86 2.668 12.588 3.361 Start of MODEL 17 1 H1 GLY -2 HT1 GLY -2 -18.267 -8.077 1.307 2 H2 GLY -2 HT2 GLY -2 -18.480 -6.601 0.517 3 H3 GLY -2 HT3 GLY -2 -19.583 -7.086 1.704 4 HA2 GLY -2 HA1 GLY -2 -18.120 -5.414 2.605 5 HA3 GLY -2 HA2 GLY -2 -17.845 -6.964 3.391 6 H SER -1 HN SER -1 -16.129 -4.498 2.808 7 HA SER -1 HA SER -1 -13.918 -5.919 1.485 8 HB2 SER -1 HB2 SER -1 -14.585 -2.968 1.294 9 HB3 SER -1 HB1 SER -1 -13.206 -3.754 0.529 10 HG SER -1 HG SER -1 -14.585 -3.936 -1.066 11 H HIS 0 HN HIS 0 -11.922 -3.904 1.960 12 HA HIS 0 HA HIS 0 -11.599 -4.090 4.875 13 HB2 HIS 0 HB2 HIS 0 -9.797 -4.455 2.758 14 HB3 HIS 0 HB1 HIS 0 -9.346 -2.911 3.448 15 HD1 HIS 0 HD1 HIS 0 -7.556 -3.160 5.129 16 HD2 HIS 0 HD2 HIS 0 -10.096 -6.457 5.079 17 HE1 HIS 0 HE1 HIS 0 -6.618 -4.769 6.821 18 HE2 HIS 0 HE2 HIS 0 -8.255 -6.680 6.879 19 H MET 1 HN MET 1 -9.849 -1.914 5.253 20 HA MET 1 HA MET 1 -11.675 0.180 5.734 21 HB2 MET 1 HB2 MET 1 -8.782 -0.315 6.207 22 HB3 MET 1 HB1 MET 1 -9.277 1.380 6.122 23 HG2 MET 1 HG2 MET 1 -9.262 0.631 8.408 24 HG3 MET 1 HG1 MET 1 -10.911 0.981 7.905 25 HE1 MET 1 HE1 MET 1 -12.813 -2.071 8.740 26 HE2 MET 1 HE2 MET 1 -12.729 -1.000 7.342 27 HE3 MET 1 HE3 MET 1 -12.638 -0.330 8.972 28 H SER 2 HN SER 2 -12.429 1.717 4.400 29 HA SER 2 HA SER 2 -10.737 2.623 2.164 30 HB2 SER 2 HB2 SER 2 -12.921 3.444 1.197 31 HB3 SER 2 HB1 SER 2 -12.869 1.688 1.413 32 HG SER 2 HG SER 2 -14.420 1.830 2.839 33 H ASP 3 HN ASP 3 -11.679 5.053 1.610 34 HA ASP 3 HA ASP 3 -11.817 7.244 2.060 35 HB2 ASP 3 HB2 ASP 3 -13.661 6.695 3.562 36 HB3 ASP 3 HB1 ASP 3 -12.534 6.423 4.884 37 H ASN 4 HN ASN 4 -9.794 7.964 1.675 38 HA ASN 4 HA ASN 4 -8.080 8.520 3.910 39 HB2 ASN 4 HB2 ASN 4 -6.037 7.404 2.798 40 HB3 ASN 4 HB1 ASN 4 -7.146 6.395 3.705 41 HD21 ASN 4 HD21 ASN 4 -7.654 7.557 0.385 42 HD22 ASN 4 HD22 ASN 4 -7.595 5.984 -0.330 43 H ASN 5 HN ASN 5 -6.600 10.085 3.641 44 HA ASN 5 HA ASN 5 -7.060 11.898 1.441 45 HB2 ASN 5 HB2 ASN 5 -5.418 12.051 3.984 46 HB3 ASN 5 HB1 ASN 5 -5.329 13.319 2.771 47 HD21 ASN 5 HD21 ASN 5 -6.282 13.383 5.525 48 HD22 ASN 5 HD22 ASN 5 -7.908 13.968 5.459 49 H ALA 6 HN ALA 6 -5.612 9.443 0.672 50 HA ALA 6 HA ALA 6 -2.818 9.732 0.505 51 HB1 ALA 6 HB1 ALA 6 -4.550 8.085 -1.350 52 HB2 ALA 6 HB2 ALA 6 -3.878 7.529 0.184 53 HB3 ALA 6 HB3 ALA 6 -2.816 7.938 -1.150 54 H THR 7 HN THR 7 -2.266 11.855 -0.312 55 HA THR 7 HA THR 7 -2.572 11.947 -3.225 56 HB THR 7 HB THR 7 -2.913 14.108 -2.226 57 HG1 THR 7 HG1 THR 7 -0.317 14.304 -3.313 58 HG21 THR 7 HG21 THR 7 -0.198 13.738 -0.966 59 HG22 THR 7 HG22 THR 7 -1.735 13.994 -0.132 60 HG23 THR 7 HG23 THR 7 -1.011 15.292 -1.081 61 H ASP 8 HN ASP 8 -0.864 11.376 -4.646 62 HA ASP 8 HA ASP 8 0.981 10.540 -5.526 63 HB2 ASP 8 HB2 ASP 8 2.686 12.160 -5.541 64 HB3 ASP 8 HB1 ASP 8 1.388 13.059 -4.836 65 H ILE 9 HN ILE 9 0.144 9.128 -2.846 66 HA ILE 9 HA ILE 9 2.554 7.572 -2.366 67 HB ILE 9 HB ILE 9 1.142 8.837 0.014 68 HG12 ILE 9 HG12 ILE 9 3.956 9.405 -0.978 69 HG13 ILE 9 HG11 ILE 9 2.593 10.352 -1.429 70 HG21 ILE 9 HG21 ILE 9 3.666 7.180 0.005 71 HG22 ILE 9 HG22 ILE 9 2.066 6.507 0.270 72 HG23 ILE 9 HG23 ILE 9 2.691 7.691 1.384 73 HD11 ILE 9 HD11 ILE 9 2.268 10.936 0.989 74 HD12 ILE 9 HD12 ILE 9 3.739 11.541 0.239 75 HD13 ILE 9 HD13 ILE 9 3.818 10.148 1.298 76 H LEU 10 HN LEU 10 2.089 5.488 -2.591 77 HA LEU 10 HA LEU 10 -0.556 4.503 -1.709 78 HB2 LEU 10 HB2 LEU 10 0.704 4.215 -4.412 79 HB3 LEU 10 HB1 LEU 10 -0.338 2.934 -3.827 80 HG LEU 10 HG LEU 10 -1.004 5.158 -5.380 81 HD11 LEU 10 HD11 LEU 10 -2.648 3.098 -4.040 82 HD12 LEU 10 HD12 LEU 10 -2.000 3.142 -5.684 83 HD13 LEU 10 HD13 LEU 10 -3.283 4.250 -5.202 84 HD21 LEU 10 HD21 LEU 10 -2.482 5.588 -2.759 85 HD22 LEU 10 HD22 LEU 10 -2.786 6.380 -4.275 86 HD23 LEU 10 HD23 LEU 10 -1.298 6.701 -3.435 87 H PHE 11 HN PHE 11 0.394 3.082 0.196 88 HA PHE 11 HA PHE 11 2.396 1.169 -0.245 89 HB2 PHE 11 HB2 PHE 11 2.178 1.659 2.001 90 HB3 PHE 11 HB1 PHE 11 0.469 1.934 1.884 91 HD1 PHE 11 HD1 PHE 11 -0.931 -0.524 1.725 92 HD2 PHE 11 HD2 PHE 11 2.890 0.146 3.519 93 HE1 PHE 11 HE1 PHE 11 -1.357 -2.337 3.311 94 HE2 PHE 11 HE2 PHE 11 2.462 -1.687 5.080 95 HZ PHE 11 HZ PHE 11 0.360 -2.942 4.965 96 H VAL 12 HN VAL 12 2.287 -0.622 -1.698 97 HA VAL 12 HA VAL 12 -0.042 -2.452 -1.370 98 HB VAL 12 HB VAL 12 2.090 -3.280 -3.312 99 HG11 VAL 12 HG11 VAL 12 0.501 -4.359 -4.531 100 HG12 VAL 12 HG12 VAL 12 -0.788 -3.303 -4.015 101 HG13 VAL 12 HG13 VAL 12 -0.143 -4.504 -2.899 102 HG21 VAL 12 HG21 VAL 12 2.047 -1.073 -4.174 103 HG22 VAL 12 HG22 VAL 12 0.293 -0.972 -4.088 104 HG23 VAL 12 HG23 VAL 12 1.061 -2.052 -5.239 105 H GLY 13 HN GLY 13 0.615 -3.617 0.715 106 HA2 GLY 13 HA2 GLY 13 3.108 -5.207 0.473 107 HA3 GLY 13 HA1 GLY 13 2.194 -4.939 1.962 108 H GLY 14 HN GLY 14 2.786 -7.512 1.384 109 HA2 GLY 14 HA2 GLY 14 1.667 -9.530 1.213 110 HA3 GLY 14 HA1 GLY 14 0.194 -8.655 0.990 111 H ILE 15 HN ILE 15 3.193 -8.864 -0.988 112 HA ILE 15 HA ILE 15 1.399 -9.647 -3.114 113 HB ILE 15 HB ILE 15 3.413 -9.017 -4.685 114 HG12 ILE 15 HG12 ILE 15 4.079 -7.615 -2.118 115 HG13 ILE 15 HG11 ILE 15 5.125 -8.506 -3.212 116 HG21 ILE 15 HG21 ILE 15 2.581 -6.647 -4.848 117 HG22 ILE 15 HG22 ILE 15 1.556 -6.963 -3.455 118 HG23 ILE 15 HG23 ILE 15 1.323 -7.865 -4.942 119 HD11 ILE 15 HD11 ILE 15 5.637 -6.155 -3.329 120 HD12 ILE 15 HD12 ILE 15 3.953 -5.783 -3.660 121 HD13 ILE 15 HD13 ILE 15 4.906 -6.669 -4.843 122 H ASP 16 HN ASP 16 1.721 -11.656 -4.268 123 HA ASP 16 HA ASP 16 3.117 -13.723 -3.038 124 HB2 ASP 16 HB2 ASP 16 1.796 -14.993 -4.356 125 HB3 ASP 16 HB1 ASP 16 1.104 -13.499 -4.900 126 H GLU 17 HN GLU 17 4.575 -15.308 -4.401 127 HA GLU 17 HA GLU 17 7.005 -13.781 -4.636 128 HB2 GLU 17 HB2 GLU 17 8.150 -16.047 -4.529 129 HB3 GLU 17 HB1 GLU 17 7.078 -15.733 -3.172 130 HG2 GLU 17 HG2 GLU 17 5.351 -17.151 -4.418 131 HG3 GLU 17 HG1 GLU 17 6.680 -17.606 -5.478 132 H THR 18 HN THR 18 4.987 -14.508 -7.293 133 HA THR 18 HA THR 18 7.407 -14.803 -8.914 134 HB THR 18 HB THR 18 5.858 -16.711 -9.414 135 HG1 THR 18 HG1 THR 18 6.446 -16.740 -11.443 136 HG21 THR 18 HG21 THR 18 4.030 -14.570 -10.529 137 HG22 THR 18 HG22 THR 18 3.616 -15.876 -9.413 138 HG23 THR 18 HG23 THR 18 4.010 -16.236 -11.082 139 H ILE 19 HN ILE 19 6.149 -12.236 -7.823 140 HA ILE 19 HA ILE 19 6.004 -10.802 -10.379 141 HB ILE 19 HB ILE 19 5.293 -8.756 -8.873 142 HG12 ILE 19 HG12 ILE 19 3.943 -9.326 -6.882 143 HG13 ILE 19 HG11 ILE 19 4.474 -10.990 -6.995 144 HG21 ILE 19 HG21 ILE 19 3.740 -10.000 -10.507 145 HG22 ILE 19 HG22 ILE 19 3.022 -9.025 -9.241 146 HG23 ILE 19 HG23 ILE 19 3.055 -10.771 -9.075 147 HD11 ILE 19 HD11 ILE 19 5.721 -9.996 -5.316 148 HD12 ILE 19 HD12 ILE 19 6.057 -8.564 -6.295 149 HD13 ILE 19 HD13 ILE 19 6.794 -10.106 -6.709 150 H ASP 20 HN ASP 20 7.382 -8.737 -10.492 151 HA ASP 20 HA ASP 20 9.522 -8.656 -8.510 152 HB2 ASP 20 HB2 ASP 20 10.039 -10.109 -10.629 153 HB3 ASP 20 HB1 ASP 20 10.272 -8.577 -11.441 154 H GLU 21 HN GLU 21 11.072 -6.682 -9.251 155 HA GLU 21 HA GLU 21 9.798 -4.262 -8.970 156 HB2 GLU 21 HB2 GLU 21 12.328 -4.757 -8.938 157 HB3 GLU 21 HB1 GLU 21 12.313 -4.498 -10.663 158 HG2 GLU 21 HG2 GLU 21 11.515 -2.357 -8.710 159 HG3 GLU 21 HG1 GLU 21 13.163 -2.633 -9.215 160 H LYS 22 HN LYS 22 10.870 -5.300 -12.206 161 HA LYS 22 HA LYS 22 9.777 -3.165 -13.601 162 HB2 LYS 22 HB2 LYS 22 10.270 -4.249 -15.657 163 HB3 LYS 22 HB1 LYS 22 11.583 -4.566 -14.546 164 HG2 LYS 22 HG2 LYS 22 9.364 -6.543 -15.197 165 HG3 LYS 22 HG1 LYS 22 10.917 -6.489 -16.010 166 HD2 LYS 22 HD2 LYS 22 10.601 -6.995 -13.038 167 HD3 LYS 22 HD1 LYS 22 10.728 -8.261 -14.244 168 HE2 LYS 22 HE2 LYS 22 12.904 -7.282 -14.944 169 HE3 LYS 22 HE1 LYS 22 12.796 -6.180 -13.576 170 HZ1 LYS 22 HZ1 LYS 22 14.165 -8.180 -13.128 171 HZ2 LYS 22 HZ2 LYS 22 12.790 -9.141 -13.342 172 HZ3 LYS 22 HZ3 LYS 22 12.848 -8.031 -12.069 173 H SER 23 HN SER 23 8.354 -6.376 -13.141 174 HA SER 23 HA SER 23 6.060 -6.049 -14.689 175 HB2 SER 23 HB2 SER 23 5.483 -7.758 -12.453 176 HB3 SER 23 HB1 SER 23 5.892 -8.187 -14.109 177 HG SER 23 HG SER 23 7.646 -8.953 -13.271 178 H LEU 24 HN LEU 24 6.544 -5.037 -11.288 179 HA LEU 24 HA LEU 24 3.753 -4.313 -11.005 180 HB2 LEU 24 HB2 LEU 24 6.002 -3.806 -9.062 181 HB3 LEU 24 HB1 LEU 24 4.346 -3.382 -8.799 182 HG LEU 24 HG LEU 24 5.125 -6.219 -9.411 183 HD11 LEU 24 HD11 LEU 24 6.472 -5.577 -7.423 184 HD12 LEU 24 HD12 LEU 24 5.191 -6.708 -7.003 185 HD13 LEU 24 HD13 LEU 24 5.003 -5.001 -6.634 186 HD21 LEU 24 HD21 LEU 24 3.085 -6.844 -8.396 187 HD22 LEU 24 HD22 LEU 24 2.685 -5.489 -9.433 188 HD23 LEU 24 HD23 LEU 24 2.847 -5.252 -7.697 189 H TYR 25 HN TYR 25 6.397 -2.774 -12.396 190 HA TYR 25 HA TYR 25 5.479 -0.067 -12.316 191 HB2 TYR 25 HB2 TYR 25 7.871 -0.709 -13.073 192 HB3 TYR 25 HB1 TYR 25 7.196 -1.254 -14.581 193 HD1 TYR 25 HD2 TYR 25 5.526 1.152 -15.460 194 HD2 TYR 25 HD1 TYR 25 9.334 0.933 -13.493 195 HE1 TYR 25 HE2 TYR 25 6.122 3.357 -16.340 196 HE2 TYR 25 HE1 TYR 25 9.901 3.127 -14.399 197 HH TYR 25 HH TYR 25 7.650 5.215 -15.793 198 H ASP 26 HN ASP 26 5.315 -2.392 -15.104 199 HA ASP 26 HA ASP 26 3.540 -0.885 -16.616 200 HB2 ASP 26 HB2 ASP 26 4.879 -3.468 -16.945 201 HB3 ASP 26 HB1 ASP 26 3.378 -3.284 -17.839 202 H ILE 27 HN ILE 27 2.490 -3.570 -14.391 203 HA ILE 27 HA ILE 27 -0.123 -3.447 -15.422 204 HB ILE 27 HB ILE 27 0.457 -4.428 -12.571 205 HG12 ILE 27 HG12 ILE 27 0.021 -6.567 -14.516 206 HG13 ILE 27 HG11 ILE 27 1.421 -5.654 -15.017 207 HG21 ILE 27 HG21 ILE 27 -1.612 -5.406 -12.600 208 HG22 ILE 27 HG22 ILE 27 -1.692 -5.451 -14.357 209 HG23 ILE 27 HG23 ILE 27 -1.913 -3.935 -13.508 210 HD11 ILE 27 HD11 ILE 27 1.969 -7.667 -13.744 211 HD12 ILE 27 HD12 ILE 27 1.106 -7.054 -12.342 212 HD13 ILE 27 HD13 ILE 27 2.555 -6.221 -12.929 213 H PHE 28 HN PHE 28 1.279 -1.491 -12.625 214 HA PHE 28 HA PHE 28 -1.229 -0.128 -12.335 215 HB2 PHE 28 HB2 PHE 28 1.465 0.087 -11.088 216 HB3 PHE 28 HB1 PHE 28 0.309 1.397 -10.876 217 HD1 PHE 28 HD1 PHE 28 0.484 -2.309 -10.496 218 HD2 PHE 28 HD2 PHE 28 -0.994 1.407 -9.059 219 HE1 PHE 28 HE1 PHE 28 -0.483 -3.447 -8.559 220 HE2 PHE 28 HE2 PHE 28 -1.948 0.300 -7.095 221 HZ PHE 28 HZ PHE 28 -1.707 -2.152 -6.840 222 H SER 29 HN SER 29 1.156 0.256 -14.816 223 HA SER 29 HA SER 29 1.032 3.149 -14.751 224 HB2 SER 29 HB2 SER 29 2.340 3.070 -16.927 225 HB3 SER 29 HB1 SER 29 3.213 2.531 -15.501 226 HG SER 29 HG SER 29 2.639 1.173 -17.778 227 H SER 30 HN SER 30 -1.122 0.849 -15.746 228 HA SER 30 HA SER 30 -1.881 1.676 -18.351 229 HB2 SER 30 HB2 SER 30 -4.038 0.383 -17.820 230 HB3 SER 30 HB1 SER 30 -2.539 -0.536 -17.670 231 HG SER 30 HG SER 30 -2.833 -0.694 -15.574 232 H PHE 31 HN PHE 31 -3.399 2.529 -15.131 233 HA PHE 31 HA PHE 31 -4.608 4.856 -16.363 234 HB2 PHE 31 HB2 PHE 31 -4.709 3.536 -13.722 235 HB3 PHE 31 HB1 PHE 31 -4.801 5.286 -13.678 236 HD1 PHE 31 HD1 PHE 31 -6.440 2.269 -15.090 237 HD2 PHE 31 HD2 PHE 31 -6.758 6.412 -14.164 238 HE1 PHE 31 HE1 PHE 31 -8.865 2.182 -15.529 239 HE2 PHE 31 HE2 PHE 31 -9.172 6.335 -14.606 240 HZ PHE 31 HZ PHE 31 -10.232 4.218 -15.287 241 H GLY 32 HN GLY 32 -1.714 4.199 -14.448 242 HA2 GLY 32 HA2 GLY 32 -1.007 7.054 -14.477 243 HA3 GLY 32 HA1 GLY 32 -1.012 6.133 -13.002 244 H ASP 33 HN ASP 33 0.958 7.049 -15.659 245 HA ASP 33 HA ASP 33 3.026 5.121 -15.267 246 HB2 ASP 33 HB2 ASP 33 3.582 7.915 -16.292 247 HB3 ASP 33 HB1 ASP 33 4.582 6.494 -16.465 248 H ILE 34 HN ILE 34 5.448 5.926 -14.277 249 HA ILE 34 HA ILE 34 4.593 6.314 -11.441 250 HB ILE 34 HB ILE 34 6.311 4.078 -12.629 251 HG12 ILE 34 HG12 ILE 34 3.994 3.328 -12.689 252 HG13 ILE 34 HG11 ILE 34 4.756 2.528 -11.351 253 HG21 ILE 34 HG21 ILE 34 7.516 4.698 -10.723 254 HG22 ILE 34 HG22 ILE 34 6.749 3.157 -10.426 255 HG23 ILE 34 HG23 ILE 34 6.101 4.612 -9.695 256 HD11 ILE 34 HD11 ILE 34 2.430 3.976 -11.287 257 HD12 ILE 34 HD12 ILE 34 3.586 4.953 -10.415 258 HD13 ILE 34 HD13 ILE 34 3.322 3.292 -9.941 259 H ARG 35 HN ARG 35 6.239 7.287 -9.801 260 HA ARG 35 HA ARG 35 8.477 8.771 -10.954 261 HB2 ARG 35 HB2 ARG 35 6.936 9.057 -8.475 262 HB3 ARG 35 HB1 ARG 35 8.670 9.051 -8.096 263 HG2 ARG 35 HG2 ARG 35 8.906 11.123 -8.729 264 HG3 ARG 35 HG1 ARG 35 8.087 10.943 -10.259 265 HD2 ARG 35 HD2 ARG 35 6.821 12.543 -9.091 266 HD3 ARG 35 HD1 ARG 35 5.900 11.065 -8.789 267 HE ARG 35 HE ARG 35 7.623 11.198 -6.702 268 HH11 ARG 35 HH11 ARG 35 5.202 13.381 -8.078 269 HH12 ARG 35 HH12 ARG 35 4.855 14.173 -6.573 270 HH21 ARG 35 HH21 ARG 35 7.245 12.323 -4.721 271 HH22 ARG 35 HH22 ARG 35 6.026 13.570 -4.649 272 H ASN 36 HN ASN 36 8.498 5.773 -8.815 273 HA ASN 36 HA ASN 36 11.265 5.392 -8.839 274 HB2 ASN 36 HB2 ASN 36 11.330 7.673 -7.717 275 HB3 ASN 36 HB1 ASN 36 10.442 6.972 -6.353 276 HD21 ASN 36 HD21 ASN 36 11.951 6.988 -4.694 277 HD22 ASN 36 HD22 ASN 36 13.507 6.240 -4.816 278 H ILE 37 HN ILE 37 11.780 3.311 -7.160 279 HA ILE 37 HA ILE 37 9.241 2.355 -6.060 280 HB ILE 37 HB ILE 37 10.618 0.988 -8.432 281 HG12 ILE 37 HG12 ILE 37 8.287 2.565 -8.147 282 HG13 ILE 37 HG11 ILE 37 9.093 2.010 -9.600 283 HG21 ILE 37 HG21 ILE 37 9.196 -0.968 -8.335 284 HG22 ILE 37 HG22 ILE 37 8.603 -0.490 -6.750 285 HG23 ILE 37 HG23 ILE 37 10.304 -0.879 -6.971 286 HD11 ILE 37 HD11 ILE 37 6.746 1.332 -9.557 287 HD12 ILE 37 HD12 ILE 37 7.043 0.438 -8.077 288 HD13 ILE 37 HD13 ILE 37 7.839 -0.044 -9.537 289 H GLU 38 HN GLU 38 9.593 1.324 -4.154 290 HA GLU 38 HA GLU 38 12.238 0.009 -3.833 291 HB2 GLU 38 HB2 GLU 38 12.246 2.023 -2.357 292 HB3 GLU 38 HB1 GLU 38 10.765 1.566 -1.627 293 HG2 GLU 38 HG2 GLU 38 12.764 -0.452 -1.182 294 HG3 GLU 38 HG1 GLU 38 13.359 1.122 -0.728 295 H VAL 39 HN VAL 39 11.945 -2.130 -4.098 296 HA VAL 39 HA VAL 39 9.883 -3.498 -2.466 297 HB VAL 39 HB VAL 39 10.411 -4.242 -5.397 298 HG11 VAL 39 HG11 VAL 39 8.406 -5.492 -3.514 299 HG12 VAL 39 HG12 VAL 39 9.950 -6.203 -3.977 300 HG13 VAL 39 HG13 VAL 39 8.706 -5.939 -5.194 301 HG21 VAL 39 HG21 VAL 39 8.915 -2.379 -5.514 302 HG22 VAL 39 HG22 VAL 39 7.917 -3.029 -4.221 303 HG23 VAL 39 HG23 VAL 39 7.973 -3.837 -5.774 304 HA PRO 40 HA PRO 40 14.029 -5.632 -1.904 305 HB2 PRO 40 HB2 PRO 40 13.256 -6.658 0.569 306 HB3 PRO 40 HB1 PRO 40 14.221 -5.188 0.339 307 HG2 PRO 40 HG2 PRO 40 11.331 -5.456 0.858 308 HG3 PRO 40 HG1 PRO 40 12.498 -4.263 1.445 309 HD2 PRO 40 HD2 PRO 40 10.773 -3.629 -0.511 310 HD3 PRO 40 HD1 PRO 40 12.429 -3.042 -0.477 311 H LEU 41 HN LEU 41 14.407 -7.844 -2.257 312 HA LEU 41 HA LEU 41 12.144 -9.720 -2.220 313 HB2 LEU 41 HB2 LEU 41 13.121 -8.502 -4.737 314 HB3 LEU 41 HB1 LEU 41 13.367 -10.224 -4.772 315 HG LEU 41 HG LEU 41 11.200 -10.561 -5.382 316 HD11 LEU 41 HD11 LEU 41 10.182 -8.619 -3.292 317 HD12 LEU 41 HD12 LEU 41 10.022 -10.376 -3.308 318 HD13 LEU 41 HD13 LEU 41 9.170 -9.411 -4.483 319 HD21 LEU 41 HD21 LEU 41 11.129 -7.572 -5.574 320 HD22 LEU 41 HD22 LEU 41 9.953 -8.661 -6.292 321 HD23 LEU 41 HD23 LEU 41 11.631 -8.710 -6.834 322 H ASN 42 HN ASN 42 13.193 -11.959 -1.583 323 HA ASN 42 HA ASN 42 16.075 -11.395 -1.122 324 HB2 ASN 42 HB2 ASN 42 14.716 -11.783 1.009 325 HB3 ASN 42 HB1 ASN 42 14.506 -13.463 0.547 326 HD21 ASN 42 HD21 ASN 42 15.512 -13.954 2.500 327 HD22 ASN 42 HD22 ASN 42 17.237 -13.963 2.609 328 H MET 43 HN MET 43 17.698 -12.785 -2.042 329 HA MET 43 HA MET 43 16.731 -14.057 -4.374 330 HB2 MET 43 HB2 MET 43 19.211 -12.955 -3.577 331 HB3 MET 43 HB1 MET 43 19.587 -14.652 -3.807 332 HG2 MET 43 HG2 MET 43 18.260 -14.106 -6.150 333 HG3 MET 43 HG1 MET 43 19.020 -12.537 -5.798 334 HE1 MET 43 HE1 MET 43 21.713 -13.322 -4.283 335 HE2 MET 43 HE2 MET 43 21.574 -12.117 -5.562 336 HE3 MET 43 HE3 MET 43 22.805 -13.378 -5.666 337 H THR 44 HN THR 44 16.754 -15.630 -1.381 338 HA THR 44 HA THR 44 17.487 -18.167 -2.591 339 HB THR 44 HB THR 44 16.512 -17.717 0.291 340 HG1 THR 44 HG1 THR 44 18.853 -18.470 0.522 341 HG21 THR 44 HG21 THR 44 15.973 -20.038 -0.429 342 HG22 THR 44 HG22 THR 44 17.215 -19.965 0.814 343 HG23 THR 44 HG23 THR 44 17.677 -20.270 -0.854 344 H THR 45 HN THR 45 14.404 -16.765 -1.273 345 HA THR 45 HA THR 45 13.057 -18.538 -3.134 346 HB THR 45 HB THR 45 12.731 -19.819 -1.259 347 HG1 THR 45 HG1 THR 45 10.588 -18.756 -2.281 348 HG21 THR 45 HG21 THR 45 12.281 -17.362 0.386 349 HG22 THR 45 HG22 THR 45 13.271 -18.790 0.715 350 HG23 THR 45 HG23 THR 45 11.525 -18.877 0.829 351 H LYS 46 HN LYS 46 13.517 -15.428 -3.032 352 HA LYS 46 HA LYS 46 12.473 -13.464 -3.432 353 HB2 LYS 46 HB2 LYS 46 12.282 -14.640 -5.562 354 HB3 LYS 46 HB1 LYS 46 10.760 -15.366 -5.066 355 HG2 LYS 46 HG2 LYS 46 9.599 -13.590 -5.666 356 HG3 LYS 46 HG1 LYS 46 10.707 -12.462 -4.928 357 HD2 LYS 46 HD2 LYS 46 10.605 -11.940 -7.263 358 HD3 LYS 46 HD1 LYS 46 12.170 -12.679 -6.981 359 HE2 LYS 46 HE2 LYS 46 9.807 -14.223 -8.042 360 HE3 LYS 46 HE1 LYS 46 10.915 -13.346 -9.088 361 HZ1 LYS 46 HZ1 LYS 46 11.552 -15.649 -8.959 362 HZ2 LYS 46 HZ2 LYS 46 11.627 -15.581 -7.272 363 HZ3 LYS 46 HZ3 LYS 46 12.732 -14.700 -8.199 364 H LYS 47 HN LYS 47 11.755 -12.868 -1.380 365 HA LYS 47 HA LYS 47 8.950 -13.217 -0.631 366 HB2 LYS 47 HB2 LYS 47 11.342 -13.896 1.192 367 HB3 LYS 47 HB1 LYS 47 9.729 -13.653 1.809 368 HG2 LYS 47 HG2 LYS 47 10.919 -16.040 0.403 369 HG3 LYS 47 HG1 LYS 47 9.932 -15.962 1.849 370 HD2 LYS 47 HD2 LYS 47 7.972 -15.400 0.371 371 HD3 LYS 47 HD1 LYS 47 9.027 -15.703 -1.015 372 HE2 LYS 47 HE2 LYS 47 9.110 -17.967 -0.604 373 HE3 LYS 47 HE1 LYS 47 8.791 -17.787 1.120 374 HZ1 LYS 47 HZ1 LYS 47 6.487 -17.159 0.505 375 HZ2 LYS 47 HZ2 LYS 47 6.884 -18.745 0.083 376 HZ3 LYS 47 HZ3 LYS 47 6.838 -17.544 -1.106 377 H ASN 48 HN ASN 48 8.203 -11.179 0.098 378 HA ASN 48 HA ASN 48 10.296 -9.135 0.248 379 HB2 ASN 48 HB2 ASN 48 8.488 -7.496 -0.237 380 HB3 ASN 48 HB1 ASN 48 8.834 -8.648 -1.522 381 HD21 ASN 48 HD21 ASN 48 7.277 -10.362 -1.943 382 HD22 ASN 48 HD22 ASN 48 5.660 -10.220 -1.337 383 H ARG 49 HN ARG 49 8.701 -10.837 2.512 384 HA ARG 49 HA ARG 49 7.736 -10.567 4.548 385 HB2 ARG 49 HB2 ARG 49 9.215 -8.639 5.938 386 HB3 ARG 49 HB1 ARG 49 9.567 -10.344 5.894 387 HG2 ARG 49 HG2 ARG 49 10.992 -9.696 3.778 388 HG3 ARG 49 HG1 ARG 49 10.931 -8.074 4.495 389 HD2 ARG 49 HD2 ARG 49 12.102 -8.841 6.436 390 HD3 ARG 49 HD1 ARG 49 11.964 -10.526 5.956 391 HE ARG 49 HE ARG 49 13.220 -9.284 3.862 392 HH11 ARG 49 HH12 ARG 49 13.910 -9.737 7.261 393 HH12 ARG 49 HH11 ARG 49 15.628 -9.728 7.039 394 HH21 ARG 49 HH21 ARG 49 15.487 -9.333 3.566 395 HH22 ARG 49 HH22 ARG 49 16.521 -9.498 4.946 396 H GLY 50 HN GLY 50 5.871 -9.482 3.279 397 HA2 GLY 50 HA2 GLY 50 3.951 -8.421 3.819 398 HA3 GLY 50 HA1 GLY 50 4.697 -7.996 5.335 399 H PHE 51 HN PHE 51 6.278 -6.561 2.488 400 HA PHE 51 HA PHE 51 4.732 -4.183 2.870 401 HB2 PHE 51 HB2 PHE 51 5.984 -2.888 4.337 402 HB3 PHE 51 HB1 PHE 51 6.182 -4.471 5.007 403 HD1 PHE 51 HD1 PHE 51 8.500 -5.577 4.900 404 HD2 PHE 51 HD2 PHE 51 7.851 -1.504 3.707 405 HE1 PHE 51 HE1 PHE 51 10.893 -5.127 5.068 406 HE2 PHE 51 HE2 PHE 51 10.241 -1.089 3.862 407 HZ PHE 51 HZ PHE 51 11.769 -2.891 4.530 408 H ALA 52 HN ALA 52 4.840 -2.928 0.822 409 HA ALA 52 HA ALA 52 7.529 -2.372 -0.272 410 HB1 ALA 52 HB1 ALA 52 6.525 -2.651 -2.649 411 HB2 ALA 52 HB2 ALA 52 5.326 -3.687 -1.896 412 HB3 ALA 52 HB3 ALA 52 7.033 -4.104 -1.815 413 H PHE 53 HN PHE 53 7.691 -0.293 -1.172 414 HA PHE 53 HA PHE 53 5.353 1.411 -0.830 415 HB2 PHE 53 HB2 PHE 53 8.227 2.279 -0.981 416 HB3 PHE 53 HB1 PHE 53 6.836 3.312 -0.621 417 HD1 PHE 53 HD2 PHE 53 5.328 1.687 1.430 418 HD2 PHE 53 HD1 PHE 53 9.495 2.244 0.793 419 HE1 PHE 53 HE2 PHE 53 5.770 1.170 3.813 420 HE2 PHE 53 HE1 PHE 53 9.961 1.710 3.089 421 HZ PHE 53 HZ PHE 53 8.090 1.177 4.647 422 H VAL 54 HN VAL 54 4.629 3.038 -2.512 423 HA VAL 54 HA VAL 54 5.750 2.665 -5.177 424 HB VAL 54 HB VAL 54 2.754 2.091 -4.712 425 HG11 VAL 54 HG11 VAL 54 2.181 2.041 -6.909 426 HG12 VAL 54 HG12 VAL 54 3.827 1.969 -7.479 427 HG13 VAL 54 HG13 VAL 54 3.187 3.483 -6.842 428 HG21 VAL 54 HG21 VAL 54 4.775 0.258 -5.901 429 HG22 VAL 54 HG22 VAL 54 3.050 0.041 -6.008 430 HG23 VAL 54 HG23 VAL 54 3.829 0.025 -4.454 431 H GLU 55 HN GLU 55 6.270 4.986 -5.642 432 HA GLU 55 HA GLU 55 4.377 7.115 -4.977 433 HB2 GLU 55 HB2 GLU 55 7.128 6.719 -5.756 434 HB3 GLU 55 HB1 GLU 55 6.439 8.025 -6.696 435 HG2 GLU 55 HG2 GLU 55 6.157 9.302 -4.575 436 HG3 GLU 55 HG1 GLU 55 6.860 7.946 -3.690 437 H TYR 56 HN TYR 56 2.553 7.680 -6.533 438 HA TYR 56 HA TYR 56 2.730 7.029 -9.312 439 HB2 TYR 56 HB2 TYR 56 0.663 8.217 -7.616 440 HB3 TYR 56 HB1 TYR 56 0.784 8.963 -9.207 441 HD1 TYR 56 HD2 TYR 56 1.243 5.287 -8.381 442 HD2 TYR 56 HD1 TYR 56 -1.069 8.311 -10.289 443 HE1 TYR 56 HE2 TYR 56 -0.215 3.581 -9.369 444 HE2 TYR 56 HE1 TYR 56 -2.468 6.623 -11.277 445 HH TYR 56 HH TYR 56 -2.407 4.286 -11.883 446 H VAL 57 HN VAL 57 2.594 8.616 -11.246 447 HA VAL 57 HA VAL 57 4.034 11.038 -10.918 448 HB VAL 57 HB VAL 57 2.906 9.773 -13.378 449 HG11 VAL 57 HG11 VAL 57 1.889 11.822 -13.931 450 HG12 VAL 57 HG12 VAL 57 3.451 11.863 -14.723 451 HG13 VAL 57 HG13 VAL 57 3.195 12.775 -13.248 452 HG21 VAL 57 HG21 VAL 57 5.306 9.646 -12.894 453 HG22 VAL 57 HG22 VAL 57 5.414 11.395 -12.950 454 HG23 VAL 57 HG23 VAL 57 4.989 10.500 -14.382 455 H GLU 58 HN GLU 58 0.362 10.869 -11.338 456 HA GLU 58 HA GLU 58 0.524 13.734 -10.747 457 HB2 GLU 58 HB2 GLU 58 -1.584 12.277 -12.364 458 HB3 GLU 58 HB1 GLU 58 -1.820 13.876 -11.750 459 HG2 GLU 58 HG2 GLU 58 -0.124 13.004 -14.029 460 HG3 GLU 58 HG1 GLU 58 -1.353 14.265 -13.897 461 H VAL 59 HN VAL 59 -1.261 14.639 -9.398 462 HA VAL 59 HA VAL 59 -1.522 12.860 -7.147 463 HB VAL 59 HB VAL 59 -1.270 14.542 -5.841 464 HG11 VAL 59 HG11 VAL 59 -0.867 16.419 -8.121 465 HG12 VAL 59 HG12 VAL 59 0.319 15.247 -7.548 466 HG13 VAL 59 HG13 VAL 59 -0.220 16.539 -6.491 467 HG21 VAL 59 HG21 VAL 59 -3.365 16.268 -7.111 468 HG22 VAL 59 HG22 VAL 59 -2.419 16.699 -5.699 469 HG23 VAL 59 HG23 VAL 59 -3.495 15.314 -5.631 470 H ASP 60 HN ASP 60 -4.165 14.547 -9.100 471 HA ASP 60 HA ASP 60 -6.346 13.465 -7.761 472 HB2 ASP 60 HB2 ASP 60 -6.221 13.799 -10.767 473 HB3 ASP 60 HB1 ASP 60 -7.659 13.670 -9.755 474 H ASP 61 HN ASP 61 -4.688 11.885 -10.535 475 HA ASP 61 HA ASP 61 -6.057 9.563 -10.673 476 HB2 ASP 61 HB2 ASP 61 -3.080 9.698 -11.275 477 HB3 ASP 61 HB1 ASP 61 -4.274 8.556 -11.903 478 H ALA 62 HN ALA 62 -3.310 10.006 -8.406 479 HA ALA 62 HA ALA 62 -3.064 7.692 -7.121 480 HB1 ALA 62 HB1 ALA 62 -2.012 9.682 -6.213 481 HB2 ALA 62 HB2 ALA 62 -2.847 8.827 -4.949 482 HB3 ALA 62 HB3 ALA 62 -3.545 10.275 -5.635 483 H LYS 63 HN LYS 63 -5.660 9.892 -6.118 484 HA LYS 63 HA LYS 63 -7.000 8.165 -4.329 485 HB2 LYS 63 HB2 LYS 63 -8.352 10.469 -5.797 486 HB3 LYS 63 HB1 LYS 63 -9.103 9.478 -4.582 487 HG2 LYS 63 HG2 LYS 63 -8.476 11.398 -3.437 488 HG3 LYS 63 HG1 LYS 63 -7.289 10.198 -2.960 489 HD2 LYS 63 HD2 LYS 63 -5.591 11.236 -4.282 490 HD3 LYS 63 HD1 LYS 63 -6.764 12.262 -5.106 491 HE2 LYS 63 HE2 LYS 63 -7.226 12.941 -2.534 492 HE3 LYS 63 HE1 LYS 63 -5.505 12.572 -2.476 493 HZ1 LYS 63 HZ1 LYS 63 -5.152 14.126 -4.304 494 HZ2 LYS 63 HZ2 LYS 63 -5.876 14.898 -2.982 495 HZ3 LYS 63 HZ3 LYS 63 -6.807 14.488 -4.333 496 H HIS 64 HN HIS 64 -7.898 8.474 -7.827 497 HA HIS 64 HA HIS 64 -10.021 6.667 -7.524 498 HB2 HIS 64 HB2 HIS 64 -8.871 7.910 -9.932 499 HB3 HIS 64 HB1 HIS 64 -9.711 6.389 -10.146 500 HD1 HIS 64 HD1 HIS 64 -11.992 6.738 -8.122 501 HD2 HIS 64 HD2 HIS 64 -10.698 9.693 -10.714 502 HE1 HIS 64 HE1 HIS 64 -13.922 8.344 -8.326 503 HE2 HIS 64 HE2 HIS 64 -13.114 10.126 -9.911 504 H ALA 65 HN ALA 65 -6.593 5.972 -8.501 505 HA ALA 65 HA ALA 65 -7.101 3.261 -8.994 506 HB1 ALA 65 HB1 ALA 65 -5.052 3.984 -9.843 507 HB2 ALA 65 HB2 ALA 65 -4.639 2.856 -8.557 508 HB3 ALA 65 HB3 ALA 65 -4.499 4.585 -8.290 509 H LEU 66 HN LEU 66 -5.791 4.532 -5.807 510 HA LEU 66 HA LEU 66 -5.871 1.994 -4.717 511 HB2 LEU 66 HB2 LEU 66 -4.665 2.781 -3.058 512 HB3 LEU 66 HB1 LEU 66 -4.856 4.383 -3.666 513 HG LEU 66 HG LEU 66 -6.883 4.547 -1.978 514 HD11 LEU 66 HD11 LEU 66 -5.413 2.266 -0.681 515 HD12 LEU 66 HD12 LEU 66 -6.949 2.079 -1.512 516 HD13 LEU 66 HD13 LEU 66 -6.839 3.114 -0.095 517 HD21 LEU 66 HD21 LEU 66 -5.011 5.852 -1.424 518 HD22 LEU 66 HD22 LEU 66 -3.970 4.464 -1.240 519 HD23 LEU 66 HD23 LEU 66 -5.199 4.799 -0.025 520 H TYR 67 HN TYR 67 -8.678 4.254 -4.612 521 HA TYR 67 HA TYR 67 -10.290 2.582 -3.090 522 HB2 TYR 67 HB2 TYR 67 -10.675 4.956 -4.217 523 HB3 TYR 67 HB1 TYR 67 -11.451 3.974 -5.457 524 HD1 TYR 67 HD2 TYR 67 -13.517 2.753 -4.958 525 HD2 TYR 67 HD1 TYR 67 -11.640 5.204 -2.001 526 HE1 TYR 67 HE2 TYR 67 -15.554 2.681 -3.597 527 HE2 TYR 67 HE1 TYR 67 -13.676 5.104 -0.632 528 HH TYR 67 HH TYR 67 -16.238 2.939 -1.310 529 H ASN 68 HN ASN 68 -9.801 2.411 -6.627 530 HA ASN 68 HA ASN 68 -11.313 0.013 -6.979 531 HB2 ASN 68 HB2 ASN 68 -10.662 1.727 -8.820 532 HB3 ASN 68 HB1 ASN 68 -9.132 0.846 -8.929 533 HD21 ASN 68 HD21 ASN 68 -9.067 -1.114 -9.920 534 HD22 ASN 68 HD22 ASN 68 -10.407 -1.794 -10.755 535 H MET 69 HN MET 69 -8.393 0.073 -5.284 536 HA MET 69 HA MET 69 -7.249 -2.137 -6.837 537 HB2 MET 69 HB2 MET 69 -5.947 0.086 -5.344 538 HB3 MET 69 HB1 MET 69 -5.104 -1.447 -5.350 539 HG2 MET 69 HG2 MET 69 -5.876 0.225 -7.766 540 HG3 MET 69 HG1 MET 69 -4.268 -0.068 -7.124 541 HE1 MET 69 HE1 MET 69 -3.853 -0.506 -9.800 542 HE2 MET 69 HE2 MET 69 -5.562 -0.569 -10.234 543 HE3 MET 69 HE3 MET 69 -4.495 -1.914 -10.645 544 H ASN 70 HN ASN 70 -8.940 -1.626 -4.029 545 HA ASN 70 HA ASN 70 -7.781 -3.499 -2.259 546 HB2 ASN 70 HB2 ASN 70 -9.473 -1.710 -1.661 547 HB3 ASN 70 HB1 ASN 70 -10.694 -2.732 -2.409 548 HD21 ASN 70 HD21 ASN 70 -8.536 -2.310 0.249 549 HD22 ASN 70 HD22 ASN 70 -9.239 -3.506 1.276 550 H ASN 71 HN ASN 71 -10.599 -3.798 -4.437 551 HA ASN 71 HA ASN 71 -10.603 -6.657 -4.073 552 HB2 ASN 71 HB2 ASN 71 -12.621 -6.638 -5.545 553 HB3 ASN 71 HB1 ASN 71 -12.714 -5.622 -4.121 554 HD21 ASN 71 HD21 ASN 71 -10.863 -4.318 -6.896 555 HD22 ASN 71 HD22 ASN 71 -12.099 -3.202 -7.357 556 H PHE 72 HN PHE 72 -8.532 -5.099 -5.911 557 HA PHE 72 HA PHE 72 -8.818 -6.659 -8.332 558 HB2 PHE 72 HB2 PHE 72 -8.105 -4.491 -8.836 559 HB3 PHE 72 HB1 PHE 72 -6.938 -4.423 -7.531 560 HD1 PHE 72 HD1 PHE 72 -7.627 -5.730 -10.915 561 HD2 PHE 72 HD2 PHE 72 -4.688 -5.098 -7.907 562 HE1 PHE 72 HE1 PHE 72 -5.843 -6.139 -12.582 563 HE2 PHE 72 HE2 PHE 72 -2.906 -5.514 -9.540 564 HZ PHE 72 HZ PHE 72 -3.487 -6.040 -11.881 565 H GLU 73 HN GLU 73 -7.846 -8.692 -8.628 566 HA GLU 73 HA GLU 73 -5.880 -9.519 -6.656 567 HB2 GLU 73 HB2 GLU 73 -6.574 -11.753 -7.011 568 HB3 GLU 73 HB1 GLU 73 -8.033 -10.847 -6.872 569 HG2 GLU 73 HG2 GLU 73 -6.809 -11.922 -9.414 570 HG3 GLU 73 HG1 GLU 73 -8.164 -12.556 -8.572 571 H LEU 74 HN LEU 74 -3.882 -10.725 -7.373 572 HA LEU 74 HA LEU 74 -3.302 -10.637 -10.283 573 HB2 LEU 74 HB2 LEU 74 -1.734 -9.436 -8.010 574 HB3 LEU 74 HB1 LEU 74 -0.792 -10.169 -9.290 575 HG LEU 74 HG LEU 74 -2.762 -7.876 -9.665 576 HD11 LEU 74 HD11 LEU 74 -0.918 -7.216 -8.262 577 HD12 LEU 74 HD12 LEU 74 -0.709 -6.516 -9.867 578 HD13 LEU 74 HD13 LEU 74 0.242 -7.920 -9.391 579 HD21 LEU 74 HD21 LEU 74 -0.680 -8.973 -11.586 580 HD22 LEU 74 HD22 LEU 74 -1.580 -7.487 -11.808 581 HD23 LEU 74 HD23 LEU 74 -2.427 -9.023 -11.813 582 H ASN 75 HN ASN 75 -2.998 -12.973 -10.889 583 HA ASN 75 HA ASN 75 -2.082 -15.105 -10.853 584 HB2 ASN 75 HB2 ASN 75 -0.020 -14.068 -8.834 585 HB3 ASN 75 HB1 ASN 75 0.117 -15.474 -9.869 586 HD21 ASN 75 HD21 ASN 75 2.050 -13.447 -9.628 587 HD22 ASN 75 HD22 ASN 75 2.175 -12.657 -11.157 588 H GLY 76 HN GLY 76 -4.329 -14.958 -9.008 589 HA2 GLY 76 HA2 GLY 76 -5.199 -16.270 -7.329 590 HA3 GLY 76 HA1 GLY 76 -3.686 -17.139 -7.346 591 H LYS 77 HN LYS 77 -4.035 -13.709 -6.500 592 HA LYS 77 HA LYS 77 -3.176 -14.266 -3.848 593 HB2 LYS 77 HB2 LYS 77 -0.993 -14.022 -4.230 594 HB3 LYS 77 HB1 LYS 77 -1.217 -13.430 -5.851 595 HG2 LYS 77 HG2 LYS 77 -1.659 -11.456 -3.677 596 HG3 LYS 77 HG1 LYS 77 -0.010 -11.998 -3.915 597 HD2 LYS 77 HD2 LYS 77 -1.735 -11.016 -6.202 598 HD3 LYS 77 HD1 LYS 77 -0.842 -9.885 -5.218 599 HE2 LYS 77 HE2 LYS 77 1.011 -11.903 -6.233 600 HE3 LYS 77 HE1 LYS 77 0.004 -11.310 -7.534 601 HZ1 LYS 77 HZ1 LYS 77 1.601 -9.602 -5.719 602 HZ2 LYS 77 HZ2 LYS 77 0.627 -9.065 -6.994 603 HZ3 LYS 77 HZ3 LYS 77 1.990 -10.014 -7.316 604 H ARG 78 HN ARG 78 -3.541 -12.531 -2.319 605 HA ARG 78 HA ARG 78 -5.476 -10.534 -3.380 606 HB2 ARG 78 HB2 ARG 78 -6.141 -12.440 -1.578 607 HB3 ARG 78 HB1 ARG 78 -5.473 -11.299 -0.428 608 HG2 ARG 78 HG2 ARG 78 -7.947 -11.081 -2.141 609 HG3 ARG 78 HG1 ARG 78 -7.809 -11.104 -0.401 610 HD2 ARG 78 HD2 ARG 78 -6.600 -8.781 -0.729 611 HD3 ARG 78 HD1 ARG 78 -7.410 -8.826 -2.300 612 HE ARG 78 HE ARG 78 -9.417 -9.446 -0.640 613 HH11 ARG 78 HH12 ARG 78 -7.095 -6.805 -0.521 614 HH12 ARG 78 HH11 ARG 78 -8.194 -5.741 0.304 615 HH21 ARG 78 HH22 ARG 78 -10.812 -8.066 0.465 616 HH22 ARG 78 HH21 ARG 78 -10.307 -6.454 0.863 617 H ILE 79 HN ILE 79 -4.855 -8.249 -3.046 618 HA ILE 79 HA ILE 79 -2.525 -7.863 -1.203 619 HB ILE 79 HB ILE 79 -2.457 -5.521 -2.460 620 HG12 ILE 79 HG12 ILE 79 -3.370 -7.211 -4.816 621 HG13 ILE 79 HG11 ILE 79 -4.471 -6.104 -3.978 622 HG21 ILE 79 HG21 ILE 79 -0.906 -6.576 -4.140 623 HG22 ILE 79 HG22 ILE 79 -1.375 -8.122 -3.448 624 HG23 ILE 79 HG23 ILE 79 -0.597 -6.905 -2.445 625 HD11 ILE 79 HD11 ILE 79 -1.842 -5.246 -5.181 626 HD12 ILE 79 HD12 ILE 79 -3.135 -4.201 -4.589 627 HD13 ILE 79 HD13 ILE 79 -3.375 -5.162 -6.047 628 H HIS 80 HN HIS 80 -2.606 -6.425 0.536 629 HA HIS 80 HA HIS 80 -5.136 -4.984 1.047 630 HB2 HIS 80 HB2 HIS 80 -2.657 -5.332 2.827 631 HB3 HIS 80 HB1 HIS 80 -4.108 -4.455 3.293 632 HD1 HIS 80 HD1 HIS 80 -2.835 -6.992 4.698 633 HD2 HIS 80 HD2 HIS 80 -6.208 -6.993 2.261 634 HE1 HIS 80 HE1 HIS 80 -4.167 -9.003 5.371 635 HE2 HIS 80 HE2 HIS 80 -6.127 -9.053 3.802 636 H VAL 81 HN VAL 81 -5.227 -2.537 0.953 637 HA VAL 81 HA VAL 81 -2.697 -1.339 -0.072 638 HB VAL 81 HB VAL 81 -5.393 -0.979 -1.544 639 HG11 VAL 81 HG11 VAL 81 -4.209 0.122 -3.327 640 HG12 VAL 81 HG12 VAL 81 -2.748 0.163 -2.383 641 HG13 VAL 81 HG13 VAL 81 -4.168 1.043 -1.841 642 HG21 VAL 81 HG21 VAL 81 -2.961 -2.545 -2.429 643 HG22 VAL 81 HG22 VAL 81 -4.243 -2.053 -3.493 644 HG23 VAL 81 HG23 VAL 81 -4.583 -3.147 -2.179 645 H ASN 82 HN ASN 82 -2.160 0.568 1.235 646 HA ASN 82 HA ASN 82 -4.359 2.355 2.090 647 HB2 ASN 82 HB2 ASN 82 -2.367 1.040 3.914 648 HB3 ASN 82 HB1 ASN 82 -3.191 2.508 4.369 649 HD21 ASN 82 HD21 ASN 82 -5.432 2.461 4.700 650 HD22 ASN 82 HD22 ASN 82 -6.253 0.986 5.054 651 H TYR 83 HN TYR 83 -3.097 4.281 3.560 652 HA TYR 83 HA TYR 83 -1.425 5.542 1.512 653 HB2 TYR 83 HB2 TYR 83 -3.146 7.099 2.015 654 HB3 TYR 83 HB1 TYR 83 -3.133 6.721 3.746 655 HD1 TYR 83 HD2 TYR 83 -1.199 8.480 1.047 656 HD2 TYR 83 HD1 TYR 83 -1.971 8.191 5.235 657 HE1 TYR 83 HE2 TYR 83 0.059 10.532 1.416 658 HE2 TYR 83 HE1 TYR 83 -0.710 10.277 5.596 659 HH TYR 83 HH TYR 83 1.134 11.551 4.376 660 H SER 84 HN SER 84 0.730 6.933 2.322 661 HA SER 84 HA SER 84 1.817 5.614 4.717 662 HB2 SER 84 HB2 SER 84 3.477 5.698 2.152 663 HB3 SER 84 HB1 SER 84 3.955 5.048 3.713 664 HG SER 84 HG SER 84 3.309 3.324 2.528 665 H LYS 85 HN LYS 85 4.152 6.504 5.177 666 HA LYS 85 HA LYS 85 3.957 9.458 5.059 667 HB2 LYS 85 HB2 LYS 85 5.826 8.359 7.124 668 HB3 LYS 85 HB1 LYS 85 4.592 9.593 7.273 669 HG2 LYS 85 HG2 LYS 85 2.858 7.669 7.341 670 HG3 LYS 85 HG1 LYS 85 4.248 6.617 7.623 671 HD2 LYS 85 HD2 LYS 85 4.702 7.509 9.699 672 HD3 LYS 85 HD1 LYS 85 4.013 9.080 9.298 673 HE2 LYS 85 HE2 LYS 85 2.778 7.617 10.996 674 HE3 LYS 85 HE1 LYS 85 1.819 8.374 9.733 675 HZ1 LYS 85 HZ1 LYS 85 1.115 6.125 9.975 676 HZ2 LYS 85 HZ2 LYS 85 2.695 5.532 9.884 677 HZ3 LYS 85 HZ3 LYS 85 1.966 6.205 8.516 678 H THR 86 HN THR 86 5.773 10.683 4.168 679 HA THR 86 HA THR 86 8.338 9.833 3.890 680 HB THR 86 HB THR 86 7.806 7.943 2.456 681 HG1 THR 86 HG1 THR 86 8.817 9.770 0.593 682 HG21 THR 86 HG21 THR 86 6.950 8.243 0.123 683 HG22 THR 86 HG22 THR 86 6.446 9.876 0.541 684 HG23 THR 86 HG23 THR 86 5.712 8.487 1.349 Start of MODEL 18 1 H1 GLY -2 HT1 GLY -2 -5.933 -3.585 12.553 2 H2 GLY -2 HT2 GLY -2 -6.280 -2.944 14.072 3 H3 GLY -2 HT3 GLY -2 -4.678 -3.035 13.544 4 HA2 GLY -2 HA1 GLY -2 -6.810 -1.365 12.334 5 HA3 GLY -2 HA2 GLY -2 -5.545 -0.769 13.393 6 H SER -1 HN SER -1 -6.464 -1.214 10.238 7 HA SER -1 HA SER -1 -3.902 -0.276 9.268 8 HB2 SER -1 HB2 SER -1 -5.083 -2.910 8.369 9 HB3 SER -1 HB1 SER -1 -3.978 -1.989 7.336 10 HG SER -1 HG SER -1 -3.021 -2.171 9.856 11 H HIS 0 HN HIS 0 -7.016 -1.545 8.087 12 HA HIS 0 HA HIS 0 -7.210 0.814 6.339 13 HB2 HIS 0 HB2 HIS 0 -6.913 -1.301 5.089 14 HB3 HIS 0 HB1 HIS 0 -8.322 -1.977 5.890 15 HD1 HIS 0 HD1 HIS 0 -10.028 -2.212 4.114 16 HD2 HIS 0 HD2 HIS 0 -8.068 1.446 3.866 17 HE1 HIS 0 HE1 HIS 0 -11.149 -0.974 2.243 18 HE2 HIS 0 HE2 HIS 0 -10.013 1.277 2.174 19 H MET 1 HN MET 1 -8.426 2.165 7.576 20 HA MET 1 HA MET 1 -11.204 1.332 7.984 21 HB2 MET 1 HB2 MET 1 -9.389 2.489 10.083 22 HB3 MET 1 HB1 MET 1 -11.086 2.935 10.108 23 HG2 MET 1 HG2 MET 1 -9.874 0.187 10.476 24 HG3 MET 1 HG1 MET 1 -10.807 1.140 11.624 25 HE1 MET 1 HE1 MET 1 -11.543 -1.879 11.155 26 HE2 MET 1 HE2 MET 1 -13.298 -1.765 11.023 27 HE3 MET 1 HE3 MET 1 -12.441 -0.789 12.212 28 H SER 2 HN SER 2 -10.218 4.446 9.172 29 HA SER 2 HA SER 2 -11.138 5.775 6.734 30 HB2 SER 2 HB2 SER 2 -12.448 6.155 9.451 31 HB3 SER 2 HB1 SER 2 -12.820 7.113 8.023 32 HG SER 2 HG SER 2 -13.053 4.589 7.320 33 H ASP 3 HN ASP 3 -9.376 7.057 6.359 34 HA ASP 3 HA ASP 3 -8.731 9.032 8.371 35 HB2 ASP 3 HB2 ASP 3 -6.315 8.592 8.535 36 HB3 ASP 3 HB1 ASP 3 -7.258 7.188 8.993 37 H ASN 4 HN ASN 4 -7.115 8.116 5.116 38 HA ASN 4 HA ASN 4 -8.368 10.427 3.947 39 HB2 ASN 4 HB2 ASN 4 -6.367 11.678 3.298 40 HB3 ASN 4 HB1 ASN 4 -6.451 11.582 5.042 41 HD21 ASN 4 HD21 ASN 4 -4.968 10.226 6.129 42 HD22 ASN 4 HD22 ASN 4 -3.494 9.739 5.380 43 H ASN 5 HN ASN 5 -7.920 10.578 1.591 44 HA ASN 5 HA ASN 5 -7.770 7.854 0.550 45 HB2 ASN 5 HB2 ASN 5 -9.452 9.865 -0.068 46 HB3 ASN 5 HB1 ASN 5 -8.227 10.161 -1.295 47 HD21 ASN 5 HD21 ASN 5 -10.916 9.418 -1.780 48 HD22 ASN 5 HD22 ASN 5 -10.910 7.884 -2.572 49 H ALA 6 HN ALA 6 -5.210 9.583 1.257 50 HA ALA 6 HA ALA 6 -3.047 9.680 0.650 51 HB1 ALA 6 HB1 ALA 6 -3.648 7.680 -1.512 52 HB2 ALA 6 HB2 ALA 6 -3.349 7.259 0.166 53 HB3 ALA 6 HB3 ALA 6 -2.092 8.032 -0.785 54 H THR 7 HN THR 7 -2.403 11.653 -0.161 55 HA THR 7 HA THR 7 -2.634 11.867 -3.097 56 HB THR 7 HB THR 7 -3.140 13.954 -2.108 57 HG1 THR 7 HG1 THR 7 -0.466 14.240 -3.057 58 HG21 THR 7 HG21 THR 7 -0.487 13.836 -0.656 59 HG22 THR 7 HG22 THR 7 -2.097 13.863 0.066 60 HG23 THR 7 HG23 THR 7 -1.487 15.278 -0.786 61 H ASP 8 HN ASP 8 -0.980 11.218 -4.401 62 HA ASP 8 HA ASP 8 0.889 10.752 -5.403 63 HB2 ASP 8 HB2 ASP 8 2.394 12.594 -5.463 64 HB3 ASP 8 HB1 ASP 8 0.980 13.283 -4.752 65 H ILE 9 HN ILE 9 0.597 9.446 -2.397 66 HA ILE 9 HA ILE 9 3.035 7.853 -2.505 67 HB ILE 9 HB ILE 9 2.117 9.047 0.153 68 HG12 ILE 9 HG12 ILE 9 4.586 9.809 -1.460 69 HG13 ILE 9 HG11 ILE 9 3.092 10.658 -1.578 70 HG21 ILE 9 HG21 ILE 9 4.731 7.660 -0.416 71 HG22 ILE 9 HG22 ILE 9 3.303 6.803 0.139 72 HG23 ILE 9 HG23 ILE 9 4.012 8.060 1.134 73 HD11 ILE 9 HD11 ILE 9 4.810 10.484 0.854 74 HD12 ILE 9 HD12 ILE 9 3.264 11.335 0.719 75 HD13 ILE 9 HD13 ILE 9 4.639 11.833 -0.257 76 H LEU 10 HN LEU 10 2.545 5.722 -2.507 77 HA LEU 10 HA LEU 10 -0.112 4.933 -1.472 78 HB2 LEU 10 HB2 LEU 10 0.977 4.772 -4.212 79 HB3 LEU 10 HB1 LEU 10 0.281 3.269 -3.632 80 HG LEU 10 HG LEU 10 -1.134 5.114 -5.032 81 HD11 LEU 10 HD11 LEU 10 -2.207 3.273 -2.945 82 HD12 LEU 10 HD12 LEU 10 -1.891 2.934 -4.679 83 HD13 LEU 10 HD13 LEU 10 -3.151 4.097 -4.211 84 HD21 LEU 10 HD21 LEU 10 -2.091 5.741 -2.227 85 HD22 LEU 10 HD22 LEU 10 -2.565 6.489 -3.723 86 HD23 LEU 10 HD23 LEU 10 -0.975 6.812 -3.071 87 H PHE 11 HN PHE 11 0.314 3.489 0.273 88 HA PHE 11 HA PHE 11 2.314 1.481 0.182 89 HB2 PHE 11 HB2 PHE 11 1.695 2.186 2.301 90 HB3 PHE 11 HB1 PHE 11 -0.018 2.025 2.001 91 HD1 PHE 11 HD1 PHE 11 3.078 0.216 2.983 92 HD2 PHE 11 HD2 PHE 11 -1.172 -0.013 2.557 93 HE1 PHE 11 HE1 PHE 11 3.000 -1.718 4.467 94 HE2 PHE 11 HE2 PHE 11 -1.217 -1.961 4.014 95 HZ PHE 11 HZ PHE 11 0.880 -2.843 4.965 96 H VAL 12 HN VAL 12 2.267 -0.603 -0.211 97 HA VAL 12 HA VAL 12 -0.075 -1.846 -1.522 98 HB VAL 12 HB VAL 12 2.773 -2.088 -2.663 99 HG11 VAL 12 HG11 VAL 12 1.904 -4.373 -2.585 100 HG12 VAL 12 HG12 VAL 12 2.090 -3.779 -4.229 101 HG13 VAL 12 HG13 VAL 12 0.487 -3.855 -3.512 102 HG21 VAL 12 HG21 VAL 12 1.067 -0.296 -3.592 103 HG22 VAL 12 HG22 VAL 12 0.383 -1.684 -4.423 104 HG23 VAL 12 HG23 VAL 12 2.053 -1.254 -4.678 105 H GLY 13 HN GLY 13 -0.120 -4.437 -1.116 106 HA2 GLY 13 HA2 GLY 13 0.793 -4.896 1.625 107 HA3 GLY 13 HA1 GLY 13 -0.459 -5.785 0.789 108 H GLY 14 HN GLY 14 0.692 -7.649 1.735 109 HA2 GLY 14 HA2 GLY 14 3.156 -8.447 0.548 110 HA3 GLY 14 HA1 GLY 14 2.069 -9.457 1.417 111 H ILE 15 HN ILE 15 3.504 -9.290 -1.483 112 HA ILE 15 HA ILE 15 1.084 -10.165 -2.885 113 HB ILE 15 HB ILE 15 3.354 -9.360 -4.648 114 HG12 ILE 15 HG12 ILE 15 1.582 -7.113 -4.075 115 HG13 ILE 15 HG11 ILE 15 2.569 -7.508 -2.688 116 HG21 ILE 15 HG21 ILE 15 1.119 -10.229 -5.392 117 HG22 ILE 15 HG22 ILE 15 1.543 -8.672 -6.082 118 HG23 ILE 15 HG23 ILE 15 0.391 -8.759 -4.746 119 HD11 ILE 15 HD11 ILE 15 4.329 -6.551 -3.586 120 HD12 ILE 15 HD12 ILE 15 3.246 -5.894 -4.806 121 HD13 ILE 15 HD13 ILE 15 4.131 -7.394 -5.117 122 H ASP 16 HN ASP 16 1.401 -11.797 -4.660 123 HA ASP 16 HA ASP 16 2.630 -14.131 -3.636 124 HB2 ASP 16 HB2 ASP 16 0.665 -14.489 -4.899 125 HB3 ASP 16 HB1 ASP 16 1.196 -13.518 -6.246 126 H GLU 17 HN GLU 17 4.209 -15.564 -4.848 127 HA GLU 17 HA GLU 17 6.556 -13.870 -4.807 128 HB2 GLU 17 HB2 GLU 17 7.849 -16.012 -4.478 129 HB3 GLU 17 HB1 GLU 17 6.559 -15.798 -3.296 130 HG2 GLU 17 HG2 GLU 17 5.162 -17.375 -4.693 131 HG3 GLU 17 HG1 GLU 17 6.603 -17.668 -5.664 132 H THR 18 HN THR 18 4.900 -14.897 -7.695 133 HA THR 18 HA THR 18 7.534 -14.686 -8.942 134 HB THR 18 HB THR 18 6.157 -16.635 -9.755 135 HG1 THR 18 HG1 THR 18 6.920 -16.381 -11.855 136 HG21 THR 18 HG21 THR 18 4.524 -14.493 -11.150 137 HG22 THR 18 HG22 THR 18 3.936 -15.858 -10.195 138 HG23 THR 18 HG23 THR 18 4.676 -16.134 -11.760 139 H ILE 19 HN ILE 19 5.698 -12.294 -7.898 140 HA ILE 19 HA ILE 19 6.040 -10.689 -10.299 141 HB ILE 19 HB ILE 19 5.289 -8.651 -8.989 142 HG12 ILE 19 HG12 ILE 19 4.247 -8.676 -6.896 143 HG13 ILE 19 HG11 ILE 19 3.864 -10.365 -6.954 144 HG21 ILE 19 HG21 ILE 19 3.850 -9.994 -10.525 145 HG22 ILE 19 HG22 ILE 19 2.985 -9.071 -9.309 146 HG23 ILE 19 HG23 ILE 19 3.178 -10.807 -9.113 147 HD11 ILE 19 HD11 ILE 19 5.364 -10.145 -5.191 148 HD12 ILE 19 HD12 ILE 19 6.395 -9.017 -6.065 149 HD13 ILE 19 HD13 ILE 19 6.383 -10.718 -6.508 150 H ASP 20 HN ASP 20 7.294 -8.580 -10.095 151 HA ASP 20 HA ASP 20 9.562 -8.705 -8.339 152 HB2 ASP 20 HB2 ASP 20 9.915 -10.046 -10.564 153 HB3 ASP 20 HB1 ASP 20 10.169 -8.471 -11.275 154 H GLU 21 HN GLU 21 11.161 -6.771 -9.136 155 HA GLU 21 HA GLU 21 9.868 -4.397 -8.529 156 HB2 GLU 21 HB2 GLU 21 12.240 -4.465 -8.064 157 HB3 GLU 21 HB1 GLU 21 12.628 -4.937 -9.672 158 HG2 GLU 21 HG2 GLU 21 11.542 -2.212 -9.531 159 HG3 GLU 21 HG1 GLU 21 13.014 -2.474 -8.612 160 H LYS 22 HN LYS 22 10.914 -5.235 -11.890 161 HA LYS 22 HA LYS 22 9.907 -2.805 -12.913 162 HB2 LYS 22 HB2 LYS 22 10.353 -4.844 -14.950 163 HB3 LYS 22 HB1 LYS 22 11.060 -3.262 -14.797 164 HG2 LYS 22 HG2 LYS 22 12.882 -4.725 -14.816 165 HG3 LYS 22 HG1 LYS 22 12.725 -4.355 -13.108 166 HD2 LYS 22 HD2 LYS 22 11.383 -6.526 -12.912 167 HD3 LYS 22 HD1 LYS 22 11.837 -6.843 -14.583 168 HE2 LYS 22 HE2 LYS 22 13.771 -6.462 -12.286 169 HE3 LYS 22 HE1 LYS 22 13.348 -7.997 -13.030 170 HZ1 LYS 22 HZ1 LYS 22 14.328 -7.240 -15.078 171 HZ2 LYS 22 HZ2 LYS 22 15.474 -7.104 -13.841 172 HZ3 LYS 22 HZ3 LYS 22 14.672 -5.729 -14.418 173 H SER 23 HN SER 23 8.489 -6.076 -12.739 174 HA SER 23 HA SER 23 6.360 -5.832 -14.452 175 HB2 SER 23 HB2 SER 23 5.932 -7.255 -11.870 176 HB3 SER 23 HB1 SER 23 5.666 -7.793 -13.520 177 HG SER 23 HG SER 23 7.960 -7.921 -11.969 178 H LEU 24 HN LEU 24 6.445 -4.904 -10.969 179 HA LEU 24 HA LEU 24 3.728 -4.031 -10.894 180 HB2 LEU 24 HB2 LEU 24 5.907 -3.447 -8.938 181 HB3 LEU 24 HB1 LEU 24 4.276 -2.899 -8.744 182 HG LEU 24 HG LEU 24 5.100 -5.774 -8.997 183 HD11 LEU 24 HD11 LEU 24 6.191 -4.878 -7.034 184 HD12 LEU 24 HD12 LEU 24 4.821 -5.849 -6.512 185 HD13 LEU 24 HD13 LEU 24 4.696 -4.098 -6.523 186 HD21 LEU 24 HD21 LEU 24 2.505 -4.608 -7.945 187 HD22 LEU 24 HD22 LEU 24 2.953 -6.291 -7.882 188 HD23 LEU 24 HD23 LEU 24 2.697 -5.523 -9.431 189 H TYR 25 HN TYR 25 6.533 -2.280 -12.082 190 HA TYR 25 HA TYR 25 5.455 0.293 -12.218 191 HB2 TYR 25 HB2 TYR 25 7.838 -0.637 -12.984 192 HB3 TYR 25 HB1 TYR 25 7.098 -0.811 -14.540 193 HD1 TYR 25 HD1 TYR 25 6.172 1.407 -15.621 194 HD2 TYR 25 HD2 TYR 25 9.009 1.299 -12.401 195 HE1 TYR 25 HE1 TYR 25 6.967 3.632 -16.239 196 HE2 TYR 25 HE2 TYR 25 9.786 3.545 -13.034 197 HH TYR 25 HH TYR 25 8.100 5.523 -15.240 198 H ASP 26 HN ASP 26 5.327 -2.241 -14.896 199 HA ASP 26 HA ASP 26 3.640 -0.773 -16.569 200 HB2 ASP 26 HB2 ASP 26 5.043 -3.220 -16.855 201 HB3 ASP 26 HB1 ASP 26 3.378 -3.498 -17.354 202 H ILE 27 HN ILE 27 2.483 -3.248 -14.203 203 HA ILE 27 HA ILE 27 -0.083 -3.297 -15.440 204 HB ILE 27 HB ILE 27 0.462 -4.295 -12.563 205 HG12 ILE 27 HG12 ILE 27 0.073 -6.354 -14.649 206 HG13 ILE 27 HG11 ILE 27 1.533 -5.447 -14.963 207 HG21 ILE 27 HG21 ILE 27 -1.542 -5.649 -12.918 208 HG22 ILE 27 HG22 ILE 27 -1.759 -4.925 -14.499 209 HG23 ILE 27 HG23 ILE 27 -1.894 -3.944 -13.056 210 HD11 ILE 27 HD11 ILE 27 1.825 -7.590 -13.735 211 HD12 ILE 27 HD12 ILE 27 1.001 -6.899 -12.344 212 HD13 ILE 27 HD13 ILE 27 2.510 -6.202 -12.924 213 H PHE 28 HN PHE 28 1.130 -1.273 -12.620 214 HA PHE 28 HA PHE 28 -1.372 0.095 -12.487 215 HB2 PHE 28 HB2 PHE 28 1.308 0.443 -11.228 216 HB3 PHE 28 HB1 PHE 28 0.052 1.645 -11.019 217 HD1 PHE 28 HD1 PHE 28 0.464 -2.073 -10.592 218 HD2 PHE 28 HD2 PHE 28 -1.113 1.606 -9.100 219 HE1 PHE 28 HE1 PHE 28 -0.347 -3.225 -8.576 220 HE2 PHE 28 HE2 PHE 28 -1.898 0.472 -7.087 221 HZ PHE 28 HZ PHE 28 -1.522 -1.959 -6.815 222 H SER 29 HN SER 29 1.115 0.404 -14.911 223 HA SER 29 HA SER 29 1.083 3.312 -14.873 224 HB2 SER 29 HB2 SER 29 2.513 3.181 -16.979 225 HB3 SER 29 HB1 SER 29 3.297 2.641 -15.476 226 HG SER 29 HG SER 29 2.777 1.298 -17.780 227 H SER 30 HN SER 30 -0.970 1.017 -16.054 228 HA SER 30 HA SER 30 -1.659 2.017 -18.603 229 HB2 SER 30 HB2 SER 30 -3.854 0.774 -18.219 230 HB3 SER 30 HB1 SER 30 -2.392 -0.206 -18.081 231 HG SER 30 HG SER 30 -2.544 0.318 -15.738 232 H PHE 31 HN PHE 31 -3.130 2.822 -15.368 233 HA PHE 31 HA PHE 31 -4.432 5.103 -16.582 234 HB2 PHE 31 HB2 PHE 31 -4.479 3.791 -13.943 235 HB3 PHE 31 HB1 PHE 31 -4.669 5.539 -13.910 236 HD1 PHE 31 HD2 PHE 31 -6.013 2.571 -15.762 237 HD2 PHE 31 HD1 PHE 31 -6.789 6.375 -14.008 238 HE1 PHE 31 HE2 PHE 31 -8.407 2.319 -16.272 239 HE2 PHE 31 HE1 PHE 31 -9.185 6.126 -14.514 240 HZ PHE 31 HZ PHE 31 -9.995 4.096 -15.647 241 H GLY 32 HN GLY 32 -1.592 4.594 -14.498 242 HA2 GLY 32 HA2 GLY 32 -0.826 7.425 -14.863 243 HA3 GLY 32 HA1 GLY 32 -0.881 6.681 -13.301 244 H ASP 33 HN ASP 33 1.238 7.438 -15.756 245 HA ASP 33 HA ASP 33 3.263 5.477 -15.416 246 HB2 ASP 33 HB2 ASP 33 3.722 8.388 -16.179 247 HB3 ASP 33 HB1 ASP 33 4.925 7.113 -16.246 248 H ILE 34 HN ILE 34 5.559 6.030 -14.352 249 HA ILE 34 HA ILE 34 4.740 6.367 -11.532 250 HB ILE 34 HB ILE 34 6.174 4.007 -12.803 251 HG12 ILE 34 HG12 ILE 34 3.868 3.455 -12.731 252 HG13 ILE 34 HG11 ILE 34 4.559 2.633 -11.370 253 HG21 ILE 34 HG21 ILE 34 7.578 4.526 -10.942 254 HG22 ILE 34 HG22 ILE 34 6.810 2.966 -10.780 255 HG23 ILE 34 HG23 ILE 34 6.229 4.324 -9.843 256 HD11 ILE 34 HD11 ILE 34 2.413 4.453 -11.401 257 HD12 ILE 34 HD12 ILE 34 3.676 5.140 -10.412 258 HD13 ILE 34 HD13 ILE 34 3.084 3.548 -10.055 259 H ARG 35 HN ARG 35 6.256 7.273 -9.948 260 HA ARG 35 HA ARG 35 8.543 8.782 -10.904 261 HB2 ARG 35 HB2 ARG 35 6.825 8.976 -8.607 262 HB3 ARG 35 HB1 ARG 35 8.459 8.778 -7.962 263 HG2 ARG 35 HG2 ARG 35 9.085 10.883 -8.520 264 HG3 ARG 35 HG1 ARG 35 8.094 10.991 -9.950 265 HD2 ARG 35 HD2 ARG 35 6.543 12.126 -8.799 266 HD3 ARG 35 HD1 ARG 35 6.378 10.844 -7.627 267 HE ARG 35 HE ARG 35 8.529 12.814 -7.379 268 HH11 ARG 35 HH12 ARG 35 5.550 11.374 -6.102 269 HH12 ARG 35 HH11 ARG 35 5.660 12.197 -4.582 270 HH21 ARG 35 HH22 ARG 35 8.571 13.988 -5.425 271 HH22 ARG 35 HH21 ARG 35 7.386 13.683 -4.202 272 H ASN 36 HN ASN 36 8.494 5.794 -8.790 273 HA ASN 36 HA ASN 36 11.232 5.266 -8.933 274 HB2 ASN 36 HB2 ASN 36 11.335 7.484 -7.603 275 HB3 ASN 36 HB1 ASN 36 10.513 6.617 -6.297 276 HD21 ASN 36 HD21 ASN 36 12.145 6.564 -4.713 277 HD22 ASN 36 HD22 ASN 36 13.673 5.802 -5.004 278 H ILE 37 HN ILE 37 11.625 3.173 -7.204 279 HA ILE 37 HA ILE 37 9.003 2.233 -6.319 280 HB ILE 37 HB ILE 37 10.351 1.028 -8.791 281 HG12 ILE 37 HG12 ILE 37 8.385 2.635 -8.908 282 HG13 ILE 37 HG11 ILE 37 8.355 1.193 -9.899 283 HG21 ILE 37 HG21 ILE 37 9.341 -1.044 -8.705 284 HG22 ILE 37 HG22 ILE 37 8.363 -0.622 -7.320 285 HG23 ILE 37 HG23 ILE 37 10.083 -0.835 -7.131 286 HD11 ILE 37 HD11 ILE 37 6.180 1.541 -8.959 287 HD12 ILE 37 HD12 ILE 37 6.838 1.678 -7.338 288 HD13 ILE 37 HD13 ILE 37 6.890 0.140 -8.175 289 H GLU 38 HN GLU 38 9.321 1.143 -4.377 290 HA GLU 38 HA GLU 38 11.998 -0.090 -3.979 291 HB2 GLU 38 HB2 GLU 38 11.955 2.028 -2.595 292 HB3 GLU 38 HB1 GLU 38 10.515 1.529 -1.796 293 HG2 GLU 38 HG2 GLU 38 12.243 -0.459 -1.043 294 HG3 GLU 38 HG1 GLU 38 13.331 0.908 -1.222 295 H VAL 39 HN VAL 39 11.743 -2.235 -4.035 296 HA VAL 39 HA VAL 39 9.652 -3.493 -2.388 297 HB VAL 39 HB VAL 39 10.120 -4.293 -5.311 298 HG11 VAL 39 HG11 VAL 39 8.318 -5.928 -5.070 299 HG12 VAL 39 HG12 VAL 39 8.121 -5.492 -3.381 300 HG13 VAL 39 HG13 VAL 39 9.612 -6.254 -3.921 301 HG21 VAL 39 HG21 VAL 39 8.664 -2.414 -5.514 302 HG22 VAL 39 HG22 VAL 39 7.718 -2.917 -4.136 303 HG23 VAL 39 HG23 VAL 39 7.628 -3.831 -5.618 304 HA PRO 40 HA PRO 40 13.821 -5.607 -1.731 305 HB2 PRO 40 HB2 PRO 40 13.010 -6.605 0.739 306 HB3 PRO 40 HB1 PRO 40 13.909 -5.098 0.503 307 HG2 PRO 40 HG2 PRO 40 11.006 -5.499 0.868 308 HG3 PRO 40 HG1 PRO 40 12.079 -4.273 1.563 309 HD2 PRO 40 HD2 PRO 40 10.518 -3.604 -0.477 310 HD3 PRO 40 HD1 PRO 40 12.175 -3.057 -0.381 311 H LEU 41 HN LEU 41 14.257 -7.783 -2.146 312 HA LEU 41 HA LEU 41 12.057 -9.733 -2.161 313 HB2 LEU 41 HB2 LEU 41 12.904 -8.374 -4.623 314 HB3 LEU 41 HB1 LEU 41 13.252 -10.069 -4.751 315 HG LEU 41 HG LEU 41 11.070 -10.535 -5.264 316 HD11 LEU 41 HD11 LEU 41 9.975 -8.549 -3.238 317 HD12 LEU 41 HD12 LEU 41 10.022 -10.299 -3.061 318 HD13 LEU 41 HD13 LEU 41 9.021 -9.578 -4.293 319 HD21 LEU 41 HD21 LEU 41 10.887 -7.550 -5.432 320 HD22 LEU 41 HD22 LEU 41 9.733 -8.676 -6.129 321 HD23 LEU 41 HD23 LEU 41 11.399 -8.657 -6.711 322 H ASN 42 HN ASN 42 13.143 -11.938 -1.667 323 HA ASN 42 HA ASN 42 16.059 -11.522 -1.442 324 HB2 ASN 42 HB2 ASN 42 14.958 -11.899 0.793 325 HB3 ASN 42 HB1 ASN 42 14.510 -13.525 0.338 326 HD21 ASN 42 HD21 ASN 42 15.725 -14.022 2.252 327 HD22 ASN 42 HD22 ASN 42 17.438 -14.230 2.131 328 H MET 43 HN MET 43 17.409 -12.681 -2.865 329 HA MET 43 HA MET 43 16.134 -14.097 -4.913 330 HB2 MET 43 HB2 MET 43 18.217 -12.741 -5.244 331 HB3 MET 43 HB1 MET 43 19.143 -13.889 -4.304 332 HG2 MET 43 HG2 MET 43 18.004 -15.314 -6.524 333 HG3 MET 43 HG1 MET 43 18.744 -13.820 -7.118 334 HE1 MET 43 HE1 MET 43 22.437 -14.126 -6.028 335 HE2 MET 43 HE2 MET 43 21.124 -13.198 -5.297 336 HE3 MET 43 HE3 MET 43 21.284 -13.270 -7.051 337 H THR 44 HN THR 44 16.794 -15.660 -1.914 338 HA THR 44 HA THR 44 17.321 -18.204 -3.147 339 HB THR 44 HB THR 44 16.544 -17.690 -0.223 340 HG1 THR 44 HG1 THR 44 18.572 -16.946 -0.529 341 HG21 THR 44 HG21 THR 44 15.945 -20.042 -0.868 342 HG22 THR 44 HG22 THR 44 17.228 -19.918 0.328 343 HG23 THR 44 HG23 THR 44 17.635 -20.292 -1.339 344 H THR 45 HN THR 45 14.314 -16.793 -1.719 345 HA THR 45 HA THR 45 12.906 -18.618 -3.466 346 HB THR 45 HB THR 45 12.812 -19.890 -1.560 347 HG1 THR 45 HG1 THR 45 10.559 -18.992 -2.504 348 HG21 THR 45 HG21 THR 45 12.278 -17.466 0.137 349 HG22 THR 45 HG22 THR 45 13.387 -18.819 0.382 350 HG23 THR 45 HG23 THR 45 11.665 -19.035 0.628 351 H LYS 46 HN LYS 46 13.306 -15.498 -3.373 352 HA LYS 46 HA LYS 46 12.251 -13.507 -3.659 353 HB2 LYS 46 HB2 LYS 46 11.874 -14.727 -5.805 354 HB3 LYS 46 HB1 LYS 46 10.330 -15.305 -5.187 355 HG2 LYS 46 HG2 LYS 46 9.319 -13.492 -5.929 356 HG3 LYS 46 HG1 LYS 46 10.377 -12.444 -5.018 357 HD2 LYS 46 HD2 LYS 46 10.554 -11.720 -7.267 358 HD3 LYS 46 HD1 LYS 46 12.019 -12.640 -7.002 359 HE2 LYS 46 HE2 LYS 46 11.049 -14.542 -8.194 360 HE3 LYS 46 HE1 LYS 46 9.547 -13.638 -8.411 361 HZ1 LYS 46 HZ1 LYS 46 10.872 -13.480 -10.386 362 HZ2 LYS 46 HZ2 LYS 46 12.215 -12.946 -9.508 363 HZ3 LYS 46 HZ3 LYS 46 10.850 -11.961 -9.634 364 H LYS 47 HN LYS 47 11.644 -12.913 -1.592 365 HA LYS 47 HA LYS 47 8.863 -13.355 -0.768 366 HB2 LYS 47 HB2 LYS 47 11.364 -13.654 0.986 367 HB3 LYS 47 HB1 LYS 47 9.778 -13.458 1.677 368 HG2 LYS 47 HG2 LYS 47 11.096 -15.910 0.558 369 HG3 LYS 47 HG1 LYS 47 10.005 -15.716 1.921 370 HD2 LYS 47 HD2 LYS 47 8.081 -15.527 0.368 371 HD3 LYS 47 HD1 LYS 47 9.174 -15.769 -1.001 372 HE2 LYS 47 HE2 LYS 47 9.770 -17.974 -0.047 373 HE3 LYS 47 HE1 LYS 47 8.614 -17.692 1.252 374 HZ1 LYS 47 HZ1 LYS 47 6.869 -17.511 -0.470 375 HZ2 LYS 47 HZ2 LYS 47 7.588 -19.035 -0.400 376 HZ3 LYS 47 HZ3 LYS 47 8.005 -17.967 -1.644 377 H ASN 48 HN ASN 48 7.918 -11.373 -0.019 378 HA ASN 48 HA ASN 48 9.653 -9.024 -0.347 379 HB2 ASN 48 HB2 ASN 48 7.517 -7.715 -0.394 380 HB3 ASN 48 HB1 ASN 48 7.728 -8.814 -1.744 381 HD21 ASN 48 HD21 ASN 48 6.465 -10.727 -1.843 382 HD22 ASN 48 HD22 ASN 48 5.072 -10.937 -0.836 383 H ARG 49 HN ARG 49 8.732 -10.831 2.241 384 HA ARG 49 HA ARG 49 7.922 -10.567 4.337 385 HB2 ARG 49 HB2 ARG 49 9.381 -8.751 5.672 386 HB3 ARG 49 HB1 ARG 49 10.009 -10.316 5.232 387 HG2 ARG 49 HG2 ARG 49 10.958 -9.116 3.148 388 HG3 ARG 49 HG1 ARG 49 10.656 -7.625 4.053 389 HD2 ARG 49 HD2 ARG 49 12.115 -8.447 5.860 390 HD3 ARG 49 HD1 ARG 49 12.385 -9.943 4.981 391 HE ARG 49 HE ARG 49 13.143 -8.125 3.175 392 HH11 ARG 49 HH12 ARG 49 14.042 -8.517 6.557 393 HH12 ARG 49 HH11 ARG 49 15.627 -7.852 6.336 394 HH21 ARG 49 HH21 ARG 49 15.248 -7.304 2.891 395 HH22 ARG 49 HH22 ARG 49 16.315 -7.163 4.246 396 H GLY 50 HN GLY 50 5.850 -9.614 3.262 397 HA2 GLY 50 HA2 GLY 50 3.942 -8.692 4.043 398 HA3 GLY 50 HA1 GLY 50 4.845 -8.071 5.399 399 H PHE 51 HN PHE 51 6.043 -6.686 2.382 400 HA PHE 51 HA PHE 51 4.323 -4.419 2.627 401 HB2 PHE 51 HB2 PHE 51 5.362 -3.011 4.164 402 HB3 PHE 51 HB1 PHE 51 5.726 -4.567 4.846 403 HD1 PHE 51 HD1 PHE 51 8.030 -5.407 4.970 404 HD2 PHE 51 HD2 PHE 51 7.158 -1.495 3.419 405 HE1 PHE 51 HE1 PHE 51 10.375 -4.789 5.166 406 HE2 PHE 51 HE2 PHE 51 9.511 -0.907 3.613 407 HZ PHE 51 HZ PHE 51 11.131 -2.543 4.483 408 H ALA 52 HN ALA 52 4.444 -3.349 0.500 409 HA ALA 52 HA ALA 52 7.183 -2.640 -0.431 410 HB1 ALA 52 HB1 ALA 52 6.174 -2.742 -2.789 411 HB2 ALA 52 HB2 ALA 52 4.830 -3.622 -2.092 412 HB3 ALA 52 HB3 ALA 52 6.454 -4.293 -2.026 413 H PHE 53 HN PHE 53 7.495 -0.577 -1.274 414 HA PHE 53 HA PHE 53 5.281 1.315 -1.004 415 HB2 PHE 53 HB2 PHE 53 8.244 1.804 -1.206 416 HB3 PHE 53 HB1 PHE 53 7.037 3.082 -1.042 417 HD1 PHE 53 HD1 PHE 53 5.277 1.781 1.165 418 HD2 PHE 53 HD2 PHE 53 9.488 2.038 0.635 419 HE1 PHE 53 HE1 PHE 53 5.622 1.493 3.589 420 HE2 PHE 53 HE2 PHE 53 9.829 1.788 2.994 421 HZ PHE 53 HZ PHE 53 7.896 1.526 4.512 422 H VAL 54 HN VAL 54 4.595 2.833 -2.724 423 HA VAL 54 HA VAL 54 5.779 2.515 -5.379 424 HB VAL 54 HB VAL 54 2.827 1.775 -4.934 425 HG11 VAL 54 HG11 VAL 54 2.257 1.854 -7.241 426 HG12 VAL 54 HG12 VAL 54 3.812 2.516 -7.680 427 HG13 VAL 54 HG13 VAL 54 2.691 3.473 -6.723 428 HG21 VAL 54 HG21 VAL 54 4.652 0.514 -6.869 429 HG22 VAL 54 HG22 VAL 54 3.132 -0.054 -6.234 430 HG23 VAL 54 HG23 VAL 54 4.543 -0.009 -5.201 431 H GLU 55 HN GLU 55 6.259 4.842 -5.835 432 HA GLU 55 HA GLU 55 4.311 6.831 -5.071 433 HB2 GLU 55 HB2 GLU 55 7.083 6.651 -5.450 434 HB3 GLU 55 HB1 GLU 55 6.514 7.786 -6.670 435 HG2 GLU 55 HG2 GLU 55 7.345 8.876 -4.689 436 HG3 GLU 55 HG1 GLU 55 5.685 9.256 -4.970 437 H TYR 56 HN TYR 56 3.060 8.257 -6.674 438 HA TYR 56 HA TYR 56 2.952 7.135 -9.409 439 HB2 TYR 56 HB2 TYR 56 0.834 8.057 -7.616 440 HB3 TYR 56 HB1 TYR 56 0.822 9.015 -9.084 441 HD1 TYR 56 HD2 TYR 56 1.028 5.284 -8.279 442 HD2 TYR 56 HD1 TYR 56 -0.634 8.396 -10.659 443 HE1 TYR 56 HE2 TYR 56 -0.466 3.673 -9.313 444 HE2 TYR 56 HE1 TYR 56 -2.114 6.791 -11.707 445 HH TYR 56 HH TYR 56 -2.621 3.656 -10.553 446 H VAL 57 HN VAL 57 2.446 8.999 -11.317 447 HA VAL 57 HA VAL 57 3.927 11.439 -10.720 448 HB VAL 57 HB VAL 57 3.041 10.293 -13.371 449 HG11 VAL 57 HG11 VAL 57 3.396 13.271 -13.016 450 HG12 VAL 57 HG12 VAL 57 2.168 12.405 -13.951 451 HG13 VAL 57 HG13 VAL 57 3.827 12.455 -14.507 452 HG21 VAL 57 HG21 VAL 57 5.210 10.734 -14.118 453 HG22 VAL 57 HG22 VAL 57 5.418 10.168 -12.483 454 HG23 VAL 57 HG23 VAL 57 5.520 11.879 -12.841 455 H GLU 58 HN GLU 58 0.412 10.745 -10.913 456 HA GLU 58 HA GLU 58 0.025 13.630 -11.099 457 HB2 GLU 58 HB2 GLU 58 -2.248 12.819 -12.333 458 HB3 GLU 58 HB1 GLU 58 -0.845 13.285 -13.188 459 HG2 GLU 58 HG2 GLU 58 -1.233 10.400 -12.511 460 HG3 GLU 58 HG1 GLU 58 -2.121 11.141 -13.834 461 H VAL 59 HN VAL 59 -1.386 14.602 -9.430 462 HA VAL 59 HA VAL 59 -1.986 12.754 -7.369 463 HB VAL 59 HB VAL 59 -1.705 14.345 -5.969 464 HG11 VAL 59 HG11 VAL 59 -1.270 16.339 -8.131 465 HG12 VAL 59 HG12 VAL 59 -0.062 15.314 -7.357 466 HG13 VAL 59 HG13 VAL 59 -0.880 16.556 -6.437 467 HG21 VAL 59 HG21 VAL 59 -2.922 16.300 -5.455 468 HG22 VAL 59 HG22 VAL 59 -4.076 15.079 -5.940 469 HG23 VAL 59 HG23 VAL 59 -3.621 16.361 -7.052 470 H ASP 60 HN ASP 60 -4.355 14.235 -9.676 471 HA ASP 60 HA ASP 60 -6.682 13.349 -8.190 472 HB2 ASP 60 HB2 ASP 60 -6.907 15.066 -9.968 473 HB3 ASP 60 HB1 ASP 60 -6.548 13.842 -11.188 474 H ASP 61 HN ASP 61 -5.370 11.875 -11.148 475 HA ASP 61 HA ASP 61 -6.527 9.458 -11.238 476 HB2 ASP 61 HB2 ASP 61 -3.592 9.860 -11.922 477 HB3 ASP 61 HB1 ASP 61 -4.622 8.543 -12.467 478 H ALA 62 HN ALA 62 -3.537 9.921 -9.225 479 HA ALA 62 HA ALA 62 -3.160 7.562 -8.011 480 HB1 ALA 62 HB1 ALA 62 -1.930 9.659 -7.477 481 HB2 ALA 62 HB2 ALA 62 -2.300 8.680 -6.092 482 HB3 ALA 62 HB3 ALA 62 -3.244 10.111 -6.414 483 H LYS 63 HN LYS 63 -5.347 9.901 -6.517 484 HA LYS 63 HA LYS 63 -6.710 8.432 -4.621 485 HB2 LYS 63 HB2 LYS 63 -7.588 10.767 -6.240 486 HB3 LYS 63 HB1 LYS 63 -8.861 9.799 -5.560 487 HG2 LYS 63 HG2 LYS 63 -8.601 11.463 -4.005 488 HG3 LYS 63 HG1 LYS 63 -7.723 10.128 -3.293 489 HD2 LYS 63 HD2 LYS 63 -5.600 11.218 -3.761 490 HD3 LYS 63 HD1 LYS 63 -6.404 12.432 -4.766 491 HE2 LYS 63 HE2 LYS 63 -7.132 12.056 -1.882 492 HE3 LYS 63 HE1 LYS 63 -5.797 13.091 -2.375 493 HZ1 LYS 63 HZ1 LYS 63 -7.431 14.235 -3.872 494 HZ2 LYS 63 HZ2 LYS 63 -7.700 14.453 -2.219 495 HZ3 LYS 63 HZ3 LYS 63 -8.663 13.373 -3.090 496 H HIS 64 HN HIS 64 -7.873 8.472 -8.058 497 HA HIS 64 HA HIS 64 -9.883 6.592 -7.527 498 HB2 HIS 64 HB2 HIS 64 -8.838 7.524 -10.166 499 HB3 HIS 64 HB1 HIS 64 -9.851 6.112 -10.075 500 HD1 HIS 64 HD1 HIS 64 -12.311 6.444 -9.624 501 HD2 HIS 64 HD2 HIS 64 -10.116 9.982 -9.511 502 HE1 HIS 64 HE1 HIS 64 -14.003 8.299 -9.553 503 HE2 HIS 64 HE2 HIS 64 -12.655 10.425 -9.461 504 H ALA 65 HN ALA 65 -6.473 5.899 -8.600 505 HA ALA 65 HA ALA 65 -6.975 3.147 -8.994 506 HB1 ALA 65 HB1 ALA 65 -5.023 4.001 -10.014 507 HB2 ALA 65 HB2 ALA 65 -4.563 2.728 -8.903 508 HB3 ALA 65 HB3 ALA 65 -4.280 4.409 -8.466 509 H LEU 66 HN LEU 66 -5.911 4.653 -5.823 510 HA LEU 66 HA LEU 66 -5.635 2.125 -4.632 511 HB2 LEU 66 HB2 LEU 66 -4.703 3.187 -2.942 512 HB3 LEU 66 HB1 LEU 66 -5.164 4.691 -3.611 513 HG LEU 66 HG LEU 66 -7.225 4.633 -2.036 514 HD11 LEU 66 HD11 LEU 66 -5.672 2.504 -0.600 515 HD12 LEU 66 HD12 LEU 66 -7.078 2.135 -1.585 516 HD13 LEU 66 HD13 LEU 66 -7.234 3.178 -0.176 517 HD21 LEU 66 HD21 LEU 66 -5.430 6.050 -1.356 518 HD22 LEU 66 HD22 LEU 66 -4.430 4.672 -0.924 519 HD23 LEU 66 HD23 LEU 66 -5.847 5.059 0.038 520 H TYR 67 HN TYR 67 -8.730 3.980 -4.885 521 HA TYR 67 HA TYR 67 -10.193 2.074 -3.448 522 HB2 TYR 67 HB2 TYR 67 -10.795 4.453 -4.678 523 HB3 TYR 67 HB1 TYR 67 -11.659 3.283 -5.669 524 HD1 TYR 67 HD1 TYR 67 -11.386 4.831 -2.345 525 HD2 TYR 67 HD2 TYR 67 -13.503 1.971 -4.718 526 HE1 TYR 67 HE1 TYR 67 -13.115 4.688 -0.631 527 HE2 TYR 67 HE2 TYR 67 -15.245 1.847 -2.992 528 HH TYR 67 HH TYR 67 -15.552 2.278 -0.674 529 H ASN 68 HN ASN 68 -9.631 2.099 -7.034 530 HA ASN 68 HA ASN 68 -10.942 -0.365 -7.425 531 HB2 ASN 68 HB2 ASN 68 -10.422 -0.217 -9.637 532 HB3 ASN 68 HB1 ASN 68 -10.090 1.430 -9.200 533 HD21 ASN 68 HD21 ASN 68 -8.736 -1.621 -10.186 534 HD22 ASN 68 HD22 ASN 68 -7.163 -1.026 -10.569 535 H MET 69 HN MET 69 -7.677 0.108 -6.231 536 HA MET 69 HA MET 69 -6.851 -2.551 -6.890 537 HB2 MET 69 HB2 MET 69 -5.470 -0.249 -5.496 538 HB3 MET 69 HB1 MET 69 -4.713 -1.832 -5.623 539 HG2 MET 69 HG2 MET 69 -5.510 0.031 -7.854 540 HG3 MET 69 HG1 MET 69 -3.903 -0.517 -7.406 541 HE1 MET 69 HE1 MET 69 -4.994 -0.566 -10.421 542 HE2 MET 69 HE2 MET 69 -4.377 -2.133 -10.937 543 HE3 MET 69 HE3 MET 69 -3.377 -1.079 -9.934 544 H ASN 70 HN ASN 70 -8.907 -1.678 -4.363 545 HA ASN 70 HA ASN 70 -7.644 -3.349 -2.356 546 HB2 ASN 70 HB2 ASN 70 -9.522 -2.872 -0.882 547 HB3 ASN 70 HB1 ASN 70 -8.956 -1.378 -1.572 548 HD21 ASN 70 HD21 ASN 70 -11.206 -1.271 -0.313 549 HD22 ASN 70 HD22 ASN 70 -12.567 -1.170 -1.366 550 H ASN 71 HN ASN 71 -10.312 -3.825 -4.677 551 HA ASN 71 HA ASN 71 -10.569 -6.578 -3.732 552 HB2 ASN 71 HB2 ASN 71 -12.548 -6.710 -5.162 553 HB3 ASN 71 HB1 ASN 71 -12.621 -5.327 -4.074 554 HD21 ASN 71 HD21 ASN 71 -12.747 -3.252 -4.943 555 HD22 ASN 71 HD22 ASN 71 -12.925 -2.974 -6.642 556 H PHE 72 HN PHE 72 -8.219 -5.620 -5.361 557 HA PHE 72 HA PHE 72 -8.534 -7.163 -7.813 558 HB2 PHE 72 HB2 PHE 72 -7.909 -4.999 -8.429 559 HB3 PHE 72 HB1 PHE 72 -6.873 -4.770 -7.050 560 HD1 PHE 72 HD2 PHE 72 -7.134 -6.138 -10.447 561 HD2 PHE 72 HD1 PHE 72 -4.562 -5.361 -7.155 562 HE1 PHE 72 HE2 PHE 72 -5.177 -6.471 -11.901 563 HE2 PHE 72 HE1 PHE 72 -2.602 -5.680 -8.596 564 HZ PHE 72 HZ PHE 72 -2.908 -6.241 -10.975 565 H GLU 73 HN GLU 73 -7.337 -9.168 -8.047 566 HA GLU 73 HA GLU 73 -5.534 -9.726 -5.806 567 HB2 GLU 73 HB2 GLU 73 -6.664 -11.626 -5.224 568 HB3 GLU 73 HB1 GLU 73 -7.986 -10.974 -6.118 569 HG2 GLU 73 HG2 GLU 73 -7.141 -12.398 -8.069 570 HG3 GLU 73 HG1 GLU 73 -6.074 -13.114 -6.886 571 H LEU 74 HN LEU 74 -3.384 -10.259 -6.430 572 HA LEU 74 HA LEU 74 -2.850 -10.698 -9.291 573 HB2 LEU 74 HB2 LEU 74 -1.326 -9.411 -7.064 574 HB3 LEU 74 HB1 LEU 74 -0.347 -10.261 -8.240 575 HG LEU 74 HG LEU 74 -2.260 -7.987 -8.905 576 HD11 LEU 74 HD11 LEU 74 -0.451 -7.234 -7.469 577 HD12 LEU 74 HD12 LEU 74 -0.195 -6.649 -9.115 578 HD13 LEU 74 HD13 LEU 74 0.729 -8.024 -8.514 579 HD21 LEU 74 HD21 LEU 74 -0.988 -7.825 -11.023 580 HD22 LEU 74 HD22 LEU 74 -1.798 -9.376 -10.918 581 HD23 LEU 74 HD23 LEU 74 -0.067 -9.259 -10.600 582 H ASN 75 HN ASN 75 -2.447 -12.805 -9.881 583 HA ASN 75 HA ASN 75 -2.086 -15.085 -9.757 584 HB2 ASN 75 HB2 ASN 75 0.273 -14.303 -7.964 585 HB3 ASN 75 HB1 ASN 75 0.086 -15.793 -8.855 586 HD21 ASN 75 HD21 ASN 75 2.329 -14.054 -9.020 587 HD22 ASN 75 HD22 ASN 75 2.398 -13.448 -10.637 588 H GLY 76 HN GLY 76 -4.204 -14.583 -8.157 589 HA2 GLY 76 HA2 GLY 76 -5.512 -15.406 -6.499 590 HA3 GLY 76 HA1 GLY 76 -4.367 -16.700 -6.380 591 H LYS 77 HN LYS 77 -3.563 -13.361 -5.597 592 HA LYS 77 HA LYS 77 -3.535 -14.013 -2.775 593 HB2 LYS 77 HB2 LYS 77 -1.268 -14.401 -3.247 594 HB3 LYS 77 HB1 LYS 77 -1.167 -13.156 -4.453 595 HG2 LYS 77 HG2 LYS 77 -0.289 -11.743 -3.037 596 HG3 LYS 77 HG1 LYS 77 -1.550 -11.952 -1.832 597 HD2 LYS 77 HD2 LYS 77 0.805 -13.829 -2.266 598 HD3 LYS 77 HD1 LYS 77 0.789 -12.556 -1.059 599 HE2 LYS 77 HE2 LYS 77 -1.103 -13.726 0.083 600 HE3 LYS 77 HE1 LYS 77 -0.977 -15.025 -1.109 601 HZ1 LYS 77 HZ1 LYS 77 1.264 -15.451 -0.364 602 HZ2 LYS 77 HZ2 LYS 77 0.200 -15.529 0.946 603 HZ3 LYS 77 HZ3 LYS 77 1.182 -14.169 0.739 604 H ARG 78 HN ARG 78 -3.661 -12.073 -1.360 605 HA ARG 78 HA ARG 78 -5.141 -9.961 -2.779 606 HB2 ARG 78 HB2 ARG 78 -6.459 -11.149 -0.970 607 HB3 ARG 78 HB1 ARG 78 -5.297 -10.601 0.232 608 HG2 ARG 78 HG2 ARG 78 -7.048 -9.151 0.532 609 HG3 ARG 78 HG1 ARG 78 -5.989 -8.204 -0.504 610 HD2 ARG 78 HD2 ARG 78 -8.163 -7.913 -1.373 611 HD3 ARG 78 HD1 ARG 78 -7.404 -9.082 -2.442 612 HE ARG 78 HE ARG 78 -8.625 -10.747 -0.844 613 HH11 ARG 78 HH12 ARG 78 -9.899 -7.727 -2.138 614 HH12 ARG 78 HH11 ARG 78 -11.539 -8.277 -2.090 615 HH21 ARG 78 HH21 ARG 78 -10.790 -11.410 -0.743 616 HH22 ARG 78 HH22 ARG 78 -12.044 -10.353 -1.302 617 H ILE 79 HN ILE 79 -4.297 -7.758 -2.723 618 HA ILE 79 HA ILE 79 -2.020 -7.286 -0.905 619 HB ILE 79 HB ILE 79 -2.094 -4.940 -2.186 620 HG12 ILE 79 HG12 ILE 79 -2.948 -6.826 -4.413 621 HG13 ILE 79 HG11 ILE 79 -4.004 -5.618 -3.684 622 HG21 ILE 79 HG21 ILE 79 -0.444 -5.908 -3.836 623 HG22 ILE 79 HG22 ILE 79 -0.749 -7.437 -3.041 624 HG23 ILE 79 HG23 ILE 79 -0.109 -6.087 -2.122 625 HD11 ILE 79 HD11 ILE 79 -2.480 -3.857 -4.412 626 HD12 ILE 79 HD12 ILE 79 -3.107 -4.791 -5.766 627 HD13 ILE 79 HD13 ILE 79 -1.464 -5.071 -5.186 628 H HIS 80 HN HIS 80 -2.302 -6.144 0.927 629 HA HIS 80 HA HIS 80 -4.749 -4.582 1.269 630 HB2 HIS 80 HB2 HIS 80 -2.337 -4.891 3.125 631 HB3 HIS 80 HB1 HIS 80 -3.748 -3.936 3.526 632 HD1 HIS 80 HD1 HIS 80 -2.360 -7.119 4.155 633 HD2 HIS 80 HD2 HIS 80 -6.225 -5.758 3.471 634 HE1 HIS 80 HE1 HIS 80 -3.885 -8.851 5.142 635 HE2 HIS 80 HE2 HIS 80 -6.197 -7.900 4.870 636 H VAL 81 HN VAL 81 -4.929 -2.488 0.422 637 HA VAL 81 HA VAL 81 -2.454 -1.066 -0.256 638 HB VAL 81 HB VAL 81 -5.216 -1.118 -1.590 639 HG11 VAL 81 HG11 VAL 81 -4.617 0.354 -3.311 640 HG12 VAL 81 HG12 VAL 81 -2.979 0.533 -2.737 641 HG13 VAL 81 HG13 VAL 81 -4.321 1.199 -1.803 642 HG21 VAL 81 HG21 VAL 81 -4.198 -2.034 -3.537 643 HG22 VAL 81 HG22 VAL 81 -3.692 -3.004 -2.175 644 HG23 VAL 81 HG23 VAL 81 -2.594 -1.825 -2.877 645 H ASN 82 HN ASN 82 -2.059 0.834 1.133 646 HA ASN 82 HA ASN 82 -4.394 2.389 2.100 647 HB2 ASN 82 HB2 ASN 82 -2.293 1.244 3.932 648 HB3 ASN 82 HB1 ASN 82 -3.446 2.453 4.408 649 HD21 ASN 82 HD21 ASN 82 -2.881 -0.890 3.920 650 HD22 ASN 82 HD22 ASN 82 -4.460 -1.425 4.367 651 H TYR 83 HN TYR 83 -3.213 4.340 3.702 652 HA TYR 83 HA TYR 83 -1.336 5.533 1.781 653 HB2 TYR 83 HB2 TYR 83 -3.086 7.131 2.049 654 HB3 TYR 83 HB1 TYR 83 -3.199 6.888 3.795 655 HD1 TYR 83 HD1 TYR 83 -1.098 8.397 1.072 656 HD2 TYR 83 HD2 TYR 83 -1.977 8.363 5.239 657 HE1 TYR 83 HE1 TYR 83 0.300 10.370 1.375 658 HE2 TYR 83 HE2 TYR 83 -0.581 10.357 5.539 659 HH TYR 83 HH TYR 83 1.379 11.421 4.357 660 H SER 84 HN SER 84 0.599 7.121 3.017 661 HA SER 84 HA SER 84 1.873 5.180 4.853 662 HB2 SER 84 HB2 SER 84 3.364 6.399 2.495 663 HB3 SER 84 HB1 SER 84 3.887 5.108 3.556 664 HG SER 84 HG SER 84 3.142 4.327 1.546 665 H LYS 85 HN LYS 85 4.482 6.603 4.550 666 HA LYS 85 HA LYS 85 3.837 8.294 6.863 667 HB2 LYS 85 HB2 LYS 85 6.286 7.857 7.563 668 HB3 LYS 85 HB1 LYS 85 5.146 6.541 7.738 669 HG2 LYS 85 HG2 LYS 85 6.147 5.284 6.078 670 HG3 LYS 85 HG1 LYS 85 6.801 6.697 5.237 671 HD2 LYS 85 HD2 LYS 85 8.431 7.015 7.076 672 HD3 LYS 85 HD1 LYS 85 7.780 5.593 7.896 673 HE2 LYS 85 HE2 LYS 85 8.552 4.148 6.146 674 HE3 LYS 85 HE1 LYS 85 8.973 5.517 5.118 675 HZ1 LYS 85 HZ1 LYS 85 10.277 4.835 7.699 676 HZ2 LYS 85 HZ2 LYS 85 10.683 6.142 6.703 677 HZ3 LYS 85 HZ3 LYS 85 10.923 4.560 6.159 678 H THR 86 HN THR 86 3.923 10.508 6.378 679 HA THR 86 HA THR 86 6.494 11.573 5.894 680 HB THR 86 HB THR 86 6.158 11.442 3.540 681 HG1 THR 86 HG1 THR 86 5.125 14.002 3.709 682 HG21 THR 86 HG21 THR 86 4.137 12.137 2.360 683 HG22 THR 86 HG22 THR 86 3.352 12.515 3.899 684 HG23 THR 86 HG23 THR 86 3.784 10.842 3.512 Start of MODEL 19 1 H1 GLY -2 HT1 GLY -2 -10.912 -8.264 12.424 2 H2 GLY -2 HT2 GLY -2 -11.171 -6.654 12.876 3 H3 GLY -2 HT3 GLY -2 -9.798 -7.473 13.425 4 HA2 GLY -2 HA1 GLY -2 -8.985 -7.656 11.142 5 HA3 GLY -2 HA2 GLY -2 -10.397 -6.764 10.609 6 H SER -1 HN SER -1 -7.653 -6.050 10.222 7 HA SER -1 HA SER -1 -7.698 -3.430 11.565 8 HB2 SER -1 HB2 SER -1 -5.182 -3.504 11.586 9 HB3 SER -1 HB1 SER -1 -5.931 -4.698 12.646 10 HG SER -1 HG SER -1 -4.747 -6.075 11.582 11 H HIS 0 HN HIS 0 -6.454 -1.787 10.383 12 HA HIS 0 HA HIS 0 -6.128 -0.469 8.598 13 HB2 HIS 0 HB2 HIS 0 -5.449 -3.104 7.319 14 HB3 HIS 0 HB1 HIS 0 -5.458 -1.628 6.369 15 HD1 HIS 0 HD1 HIS 0 -3.297 -3.676 8.393 16 HD2 HIS 0 HD2 HIS 0 -3.586 0.380 7.537 17 HE1 HIS 0 HE1 HIS 0 -1.043 -2.709 8.937 18 HE2 HIS 0 HE2 HIS 0 -1.274 -0.238 8.528 19 H MET 1 HN MET 1 -8.270 0.223 8.705 20 HA MET 1 HA MET 1 -10.095 -0.905 6.736 21 HB2 MET 1 HB2 MET 1 -10.452 0.747 9.163 22 HB3 MET 1 HB1 MET 1 -11.554 1.102 7.840 23 HG2 MET 1 HG2 MET 1 -12.598 -0.464 9.308 24 HG3 MET 1 HG1 MET 1 -12.204 -1.281 7.801 25 HE1 MET 1 HE1 MET 1 -11.902 -4.029 10.626 26 HE2 MET 1 HE2 MET 1 -12.767 -3.536 9.170 27 HE3 MET 1 HE3 MET 1 -12.982 -2.634 10.671 28 H SER 2 HN SER 2 -10.536 2.488 7.323 29 HA SER 2 HA SER 2 -8.837 3.289 5.099 30 HB2 SER 2 HB2 SER 2 -10.938 2.693 3.968 31 HB3 SER 2 HB1 SER 2 -11.863 3.743 5.040 32 HG SER 2 HG SER 2 -11.237 5.437 3.917 33 H ASP 3 HN ASP 3 -7.579 4.710 6.325 34 HA ASP 3 HA ASP 3 -8.956 6.521 8.154 35 HB2 ASP 3 HB2 ASP 3 -6.695 5.169 8.395 36 HB3 ASP 3 HB1 ASP 3 -6.022 6.620 7.671 37 H ASN 4 HN ASN 4 -8.250 6.865 4.836 38 HA ASN 4 HA ASN 4 -8.082 9.602 4.565 39 HB2 ASN 4 HB2 ASN 4 -5.544 9.811 4.102 40 HB3 ASN 4 HB1 ASN 4 -6.083 9.876 5.761 41 HD21 ASN 4 HD21 ASN 4 -5.804 6.818 3.992 42 HD22 ASN 4 HD22 ASN 4 -4.446 6.243 4.893 43 H ASN 5 HN ASN 5 -7.562 10.293 2.354 44 HA ASN 5 HA ASN 5 -8.146 8.023 0.562 45 HB2 ASN 5 HB2 ASN 5 -8.663 9.796 -1.224 46 HB3 ASN 5 HB1 ASN 5 -9.756 9.764 0.160 47 HD21 ASN 5 HD21 ASN 5 -10.398 11.834 -0.233 48 HD22 ASN 5 HD22 ASN 5 -9.407 13.212 0.087 49 H ALA 6 HN ALA 6 -5.217 9.607 1.216 50 HA ALA 6 HA ALA 6 -3.147 9.469 0.425 51 HB1 ALA 6 HB1 ALA 6 -4.119 7.522 -1.648 52 HB2 ALA 6 HB2 ALA 6 -3.682 7.094 0.003 53 HB3 ALA 6 HB3 ALA 6 -2.475 7.750 -1.087 54 H THR 7 HN THR 7 -2.891 11.650 -0.353 55 HA THR 7 HA THR 7 -2.904 11.752 -3.283 56 HB THR 7 HB THR 7 -3.528 13.854 -2.326 57 HG1 THR 7 HG1 THR 7 -0.833 14.209 -3.176 58 HG21 THR 7 HG21 THR 7 -0.921 13.825 -0.803 59 HG22 THR 7 HG22 THR 7 -2.543 13.795 -0.105 60 HG23 THR 7 HG23 THR 7 -1.977 15.222 -0.966 61 H ASP 8 HN ASP 8 -1.197 11.264 -4.536 62 HA ASP 8 HA ASP 8 0.694 10.622 -5.447 63 HB2 ASP 8 HB2 ASP 8 2.339 12.333 -5.444 64 HB3 ASP 8 HB1 ASP 8 0.891 13.124 -4.955 65 H ILE 9 HN ILE 9 0.115 9.276 -2.627 66 HA ILE 9 HA ILE 9 2.613 7.798 -2.373 67 HB ILE 9 HB ILE 9 1.320 8.902 0.145 68 HG12 ILE 9 HG12 ILE 9 3.991 9.769 -0.991 69 HG13 ILE 9 HG11 ILE 9 2.524 10.541 -1.426 70 HG21 ILE 9 HG21 ILE 9 3.947 7.406 -0.117 71 HG22 ILE 9 HG22 ILE 9 2.415 6.655 0.262 72 HG23 ILE 9 HG23 ILE 9 3.073 7.840 1.348 73 HD11 ILE 9 HD11 ILE 9 2.166 11.326 0.822 74 HD12 ILE 9 HD12 ILE 9 3.755 11.798 0.235 75 HD13 ILE 9 HD13 ILE 9 3.603 10.470 1.369 76 H LEU 10 HN LEU 10 2.292 5.661 -2.430 77 HA LEU 10 HA LEU 10 -0.401 4.688 -1.723 78 HB2 LEU 10 HB2 LEU 10 0.884 4.682 -4.383 79 HB3 LEU 10 HB1 LEU 10 0.217 3.131 -3.897 80 HG LEU 10 HG LEU 10 -1.196 4.977 -5.310 81 HD11 LEU 10 HD11 LEU 10 -2.325 3.054 -3.360 82 HD12 LEU 10 HD12 LEU 10 -1.879 2.782 -5.058 83 HD13 LEU 10 HD13 LEU 10 -3.210 3.861 -4.644 84 HD21 LEU 10 HD21 LEU 10 -2.361 5.521 -2.562 85 HD22 LEU 10 HD22 LEU 10 -2.763 6.274 -4.082 86 HD23 LEU 10 HD23 LEU 10 -1.246 6.657 -3.319 87 H PHE 11 HN PHE 11 0.306 3.465 0.163 88 HA PHE 11 HA PHE 11 2.234 1.428 0.054 89 HB2 PHE 11 HB2 PHE 11 1.682 2.211 2.194 90 HB3 PHE 11 HB1 PHE 11 -0.031 2.073 1.915 91 HD1 PHE 11 HD1 PHE 11 -1.205 -0.020 2.325 92 HD2 PHE 11 HD2 PHE 11 2.998 0.303 3.096 93 HE1 PHE 11 HE1 PHE 11 -1.320 -1.944 3.819 94 HE2 PHE 11 HE2 PHE 11 2.852 -1.623 4.585 95 HZ PHE 11 HZ PHE 11 0.709 -2.759 4.936 96 H VAL 12 HN VAL 12 2.113 -0.722 -0.184 97 HA VAL 12 HA VAL 12 -0.259 -1.983 -1.410 98 HB VAL 12 HB VAL 12 2.533 -2.124 -2.739 99 HG11 VAL 12 HG11 VAL 12 1.757 -4.439 -2.620 100 HG12 VAL 12 HG12 VAL 12 1.829 -3.838 -4.269 101 HG13 VAL 12 HG13 VAL 12 0.274 -3.986 -3.460 102 HG21 VAL 12 HG21 VAL 12 0.775 -0.367 -3.561 103 HG22 VAL 12 HG22 VAL 12 -0.020 -1.752 -4.294 104 HG23 VAL 12 HG23 VAL 12 1.615 -1.368 -4.724 105 H GLY 13 HN GLY 13 -0.182 -4.592 -1.006 106 HA2 GLY 13 HA2 GLY 13 1.020 -5.008 1.629 107 HA3 GLY 13 HA1 GLY 13 -0.194 -6.011 0.885 108 H GLY 14 HN GLY 14 1.454 -7.616 1.868 109 HA2 GLY 14 HA2 GLY 14 3.674 -8.367 0.287 110 HA3 GLY 14 HA1 GLY 14 2.755 -9.423 1.309 111 H ILE 15 HN ILE 15 3.754 -9.346 -1.727 112 HA ILE 15 HA ILE 15 1.162 -10.227 -2.767 113 HB ILE 15 HB ILE 15 3.144 -9.369 -4.846 114 HG12 ILE 15 HG12 ILE 15 1.383 -7.189 -4.149 115 HG13 ILE 15 HG11 ILE 15 2.459 -7.523 -2.808 116 HG21 ILE 15 HG21 ILE 15 0.926 -10.348 -5.378 117 HG22 ILE 15 HG22 ILE 15 1.089 -8.717 -5.998 118 HG23 ILE 15 HG23 ILE 15 0.152 -9.006 -4.533 119 HD11 ILE 15 HD11 ILE 15 4.309 -7.363 -4.595 120 HD12 ILE 15 HD12 ILE 15 3.543 -5.900 -4.014 121 HD13 ILE 15 HD13 ILE 15 3.082 -6.565 -5.566 122 H ASP 16 HN ASP 16 1.301 -11.873 -4.619 123 HA ASP 16 HA ASP 16 2.541 -14.237 -3.754 124 HB2 ASP 16 HB2 ASP 16 0.716 -14.782 -4.992 125 HB3 ASP 16 HB1 ASP 16 0.817 -13.396 -6.042 126 H GLU 17 HN GLU 17 4.130 -15.566 -4.941 127 HA GLU 17 HA GLU 17 6.438 -13.855 -5.028 128 HB2 GLU 17 HB2 GLU 17 7.706 -16.079 -4.909 129 HB3 GLU 17 HB1 GLU 17 6.610 -15.775 -3.566 130 HG2 GLU 17 HG2 GLU 17 4.946 -17.233 -4.953 131 HG3 GLU 17 HG1 GLU 17 6.399 -17.755 -5.804 132 H THR 18 HN THR 18 4.679 -14.634 -7.800 133 HA THR 18 HA THR 18 7.213 -14.623 -9.265 134 HB THR 18 HB THR 18 5.704 -16.536 -9.975 135 HG1 THR 18 HG1 THR 18 6.749 -16.516 -11.778 136 HG21 THR 18 HG21 THR 18 4.175 -14.376 -11.464 137 HG22 THR 18 HG22 THR 18 3.502 -15.449 -10.238 138 HG23 THR 18 HG23 THR 18 4.065 -16.103 -11.768 139 H ILE 19 HN ILE 19 5.686 -12.181 -8.093 140 HA ILE 19 HA ILE 19 5.896 -10.589 -10.531 141 HB ILE 19 HB ILE 19 5.026 -8.586 -9.051 142 HG12 ILE 19 HG12 ILE 19 3.566 -9.013 -7.219 143 HG13 ILE 19 HG11 ILE 19 3.629 -10.750 -7.454 144 HG21 ILE 19 HG21 ILE 19 3.748 -9.947 -10.890 145 HG22 ILE 19 HG22 ILE 19 2.891 -8.818 -9.856 146 HG23 ILE 19 HG23 ILE 19 2.805 -10.542 -9.530 147 HD11 ILE 19 HD11 ILE 19 4.934 -10.500 -5.641 148 HD12 ILE 19 HD12 ILE 19 5.552 -8.931 -6.145 149 HD13 ILE 19 HD13 ILE 19 6.155 -10.399 -6.905 150 H ASP 20 HN ASP 20 7.267 -8.523 -10.326 151 HA ASP 20 HA ASP 20 9.227 -8.530 -8.202 152 HB2 ASP 20 HB2 ASP 20 9.936 -9.991 -10.252 153 HB3 ASP 20 HB1 ASP 20 10.255 -8.464 -11.054 154 H GLU 21 HN GLU 21 10.905 -6.605 -8.807 155 HA GLU 21 HA GLU 21 9.740 -4.113 -8.541 156 HB2 GLU 21 HB2 GLU 21 12.225 -4.473 -8.242 157 HB3 GLU 21 HB1 GLU 21 12.393 -4.577 -9.971 158 HG2 GLU 21 HG2 GLU 21 11.231 -2.065 -9.345 159 HG3 GLU 21 HG1 GLU 21 12.642 -2.335 -8.345 160 H LYS 22 HN LYS 22 11.002 -5.150 -11.682 161 HA LYS 22 HA LYS 22 10.034 -2.928 -13.059 162 HB2 LYS 22 HB2 LYS 22 10.539 -5.085 -14.880 163 HB3 LYS 22 HB1 LYS 22 11.407 -3.593 -14.675 164 HG2 LYS 22 HG2 LYS 22 13.002 -5.341 -14.537 165 HG3 LYS 22 HG1 LYS 22 12.837 -4.761 -12.890 166 HD2 LYS 22 HD2 LYS 22 11.288 -6.714 -12.459 167 HD3 LYS 22 HD1 LYS 22 11.636 -7.271 -14.103 168 HE2 LYS 22 HE2 LYS 22 14.042 -7.316 -13.529 169 HE3 LYS 22 HE1 LYS 22 13.626 -6.901 -11.879 170 HZ1 LYS 22 HZ1 LYS 22 12.483 -8.909 -11.597 171 HZ2 LYS 22 HZ2 LYS 22 13.981 -9.298 -12.285 172 HZ3 LYS 22 HZ3 LYS 22 12.587 -9.296 -13.240 173 H SER 23 HN SER 23 8.550 -6.166 -12.676 174 HA SER 23 HA SER 23 6.533 -5.772 -14.512 175 HB2 SER 23 HB2 SER 23 5.686 -7.558 -12.393 176 HB3 SER 23 HB1 SER 23 6.121 -7.910 -14.048 177 HG SER 23 HG SER 23 7.754 -8.881 -13.149 178 H LEU 24 HN LEU 24 6.688 -4.644 -11.066 179 HA LEU 24 HA LEU 24 3.865 -3.973 -11.074 180 HB2 LEU 24 HB2 LEU 24 5.805 -3.033 -8.956 181 HB3 LEU 24 HB1 LEU 24 4.087 -2.868 -8.960 182 HG LEU 24 HG LEU 24 5.364 -5.574 -9.041 183 HD11 LEU 24 HD11 LEU 24 5.127 -5.724 -6.621 184 HD12 LEU 24 HD12 LEU 24 4.558 -4.064 -6.551 185 HD13 LEU 24 HD13 LEU 24 6.221 -4.401 -7.031 186 HD21 LEU 24 HD21 LEU 24 2.605 -4.550 -8.508 187 HD22 LEU 24 HD22 LEU 24 3.134 -5.994 -7.675 188 HD23 LEU 24 HD23 LEU 24 3.111 -5.962 -9.427 189 H TYR 25 HN TYR 25 6.581 -2.418 -12.273 190 HA TYR 25 HA TYR 25 5.564 0.244 -12.393 191 HB2 TYR 25 HB2 TYR 25 8.025 -0.492 -12.935 192 HB3 TYR 25 HB1 TYR 25 7.451 -0.923 -14.524 193 HD1 TYR 25 HD1 TYR 25 5.969 1.450 -15.472 194 HD2 TYR 25 HD2 TYR 25 9.502 1.215 -12.995 195 HE1 TYR 25 HE1 TYR 25 6.645 3.689 -16.206 196 HE2 TYR 25 HE2 TYR 25 10.156 3.445 -13.778 197 HH TYR 25 HH TYR 25 9.763 5.061 -15.398 198 H ASP 26 HN ASP 26 5.666 -2.205 -15.119 199 HA ASP 26 HA ASP 26 3.986 -1.018 -16.926 200 HB2 ASP 26 HB2 ASP 26 5.388 -3.165 -17.248 201 HB3 ASP 26 HB1 ASP 26 3.937 -4.014 -16.711 202 H ILE 27 HN ILE 27 2.766 -3.529 -14.624 203 HA ILE 27 HA ILE 27 0.127 -3.440 -15.546 204 HB ILE 27 HB ILE 27 0.809 -4.370 -12.699 205 HG12 ILE 27 HG12 ILE 27 0.426 -6.544 -14.613 206 HG13 ILE 27 HG11 ILE 27 1.784 -5.573 -15.132 207 HG21 ILE 27 HG21 ILE 27 -1.149 -5.768 -12.880 208 HG22 ILE 27 HG22 ILE 27 -1.427 -5.182 -14.510 209 HG23 ILE 27 HG23 ILE 27 -1.556 -4.089 -13.153 210 HD11 ILE 27 HD11 ILE 27 2.475 -7.514 -13.854 211 HD12 ILE 27 HD12 ILE 27 1.536 -7.005 -12.464 212 HD13 ILE 27 HD13 ILE 27 2.925 -6.047 -12.991 213 H PHE 28 HN PHE 28 1.481 -1.362 -12.781 214 HA PHE 28 HA PHE 28 -1.092 -0.007 -12.646 215 HB2 PHE 28 HB2 PHE 28 1.543 0.403 -11.306 216 HB3 PHE 28 HB1 PHE 28 0.248 1.571 -11.138 217 HD1 PHE 28 HD1 PHE 28 0.768 -2.112 -10.715 218 HD2 PHE 28 HD2 PHE 28 -0.990 1.494 -9.264 219 HE1 PHE 28 HE1 PHE 28 -0.049 -3.312 -8.721 220 HE2 PHE 28 HE2 PHE 28 -1.784 0.305 -7.256 221 HZ PHE 28 HZ PHE 28 -1.309 -2.108 -6.977 222 H SER 29 HN SER 29 1.489 0.365 -14.976 223 HA SER 29 HA SER 29 1.479 3.282 -14.878 224 HB2 SER 29 HB2 SER 29 2.997 3.181 -16.930 225 HB3 SER 29 HB1 SER 29 3.703 2.598 -15.423 226 HG SER 29 HG SER 29 2.442 0.893 -17.336 227 H SER 30 HN SER 30 -0.558 1.010 -16.187 228 HA SER 30 HA SER 30 -1.122 2.160 -18.729 229 HB2 SER 30 HB2 SER 30 -3.272 0.766 -18.547 230 HB3 SER 30 HB1 SER 30 -1.745 -0.119 -18.471 231 HG SER 30 HG SER 30 -3.164 0.749 -16.159 232 H PHE 31 HN PHE 31 -2.718 2.702 -15.500 233 HA PHE 31 HA PHE 31 -3.953 5.090 -16.619 234 HB2 PHE 31 HB2 PHE 31 -4.195 3.595 -14.069 235 HB3 PHE 31 HB1 PHE 31 -4.363 5.336 -13.955 236 HD1 PHE 31 HD2 PHE 31 -5.589 2.800 -16.453 237 HD2 PHE 31 HD1 PHE 31 -6.527 5.945 -13.732 238 HE1 PHE 31 HE2 PHE 31 -7.965 2.652 -17.094 239 HE2 PHE 31 HE1 PHE 31 -8.894 5.797 -14.370 240 HZ PHE 31 HZ PHE 31 -9.619 4.154 -16.051 241 H GLY 32 HN GLY 32 -1.233 4.339 -14.486 242 HA2 GLY 32 HA2 GLY 32 -0.511 7.183 -14.422 243 HA3 GLY 32 HA1 GLY 32 -0.549 6.199 -12.993 244 H ASP 33 HN ASP 33 1.474 7.339 -15.450 245 HA ASP 33 HA ASP 33 3.647 5.491 -15.216 246 HB2 ASP 33 HB2 ASP 33 4.012 8.434 -15.929 247 HB3 ASP 33 HB1 ASP 33 5.150 7.127 -16.189 248 H ILE 34 HN ILE 34 5.963 6.163 -14.073 249 HA ILE 34 HA ILE 34 4.992 6.492 -11.283 250 HB ILE 34 HB ILE 34 6.687 4.224 -12.418 251 HG12 ILE 34 HG12 ILE 34 4.341 3.568 -12.659 252 HG13 ILE 34 HG11 ILE 34 5.001 2.707 -11.300 253 HG21 ILE 34 HG21 ILE 34 7.760 4.722 -10.395 254 HG22 ILE 34 HG22 ILE 34 6.878 3.225 -10.200 255 HG23 ILE 34 HG23 ILE 34 6.260 4.706 -9.505 256 HD11 ILE 34 HD11 ILE 34 2.711 4.196 -11.318 257 HD12 ILE 34 HD12 ILE 34 3.834 5.160 -10.395 258 HD13 ILE 34 HD13 ILE 34 3.523 3.503 -9.929 259 H ARG 35 HN ARG 35 6.464 7.367 -9.596 260 HA ARG 35 HA ARG 35 8.751 8.900 -10.494 261 HB2 ARG 35 HB2 ARG 35 6.931 9.093 -8.261 262 HB3 ARG 35 HB1 ARG 35 8.566 8.949 -7.580 263 HG2 ARG 35 HG2 ARG 35 9.012 11.094 -8.006 264 HG3 ARG 35 HG1 ARG 35 8.412 11.032 -9.651 265 HD2 ARG 35 HD2 ARG 35 6.525 12.040 -9.058 266 HD3 ARG 35 HD1 ARG 35 6.192 10.908 -7.774 267 HE ARG 35 HE ARG 35 8.140 12.838 -7.013 268 HH11 ARG 35 HH11 ARG 35 4.677 12.363 -7.490 269 HH12 ARG 35 HH12 ARG 35 4.225 13.613 -6.370 270 HH21 ARG 35 HH21 ARG 35 7.512 14.493 -5.543 271 HH22 ARG 35 HH22 ARG 35 5.825 14.812 -5.268 272 H ASN 36 HN ASN 36 8.575 6.032 -8.178 273 HA ASN 36 HA ASN 36 11.378 5.525 -8.212 274 HB2 ASN 36 HB2 ASN 36 11.364 7.725 -6.862 275 HB3 ASN 36 HB1 ASN 36 10.405 6.867 -5.648 276 HD21 ASN 36 HD21 ASN 36 11.786 6.654 -3.888 277 HD22 ASN 36 HD22 ASN 36 13.347 5.919 -4.006 278 H ILE 37 HN ILE 37 11.607 3.252 -7.246 279 HA ILE 37 HA ILE 37 9.113 2.406 -5.919 280 HB ILE 37 HB ILE 37 10.510 0.493 -7.807 281 HG12 ILE 37 HG12 ILE 37 8.744 2.765 -8.625 282 HG13 ILE 37 HG11 ILE 37 10.200 2.154 -9.380 283 HG21 ILE 37 HG21 ILE 37 8.122 -0.359 -8.139 284 HG22 ILE 37 HG22 ILE 37 7.764 0.511 -6.661 285 HG23 ILE 37 HG23 ILE 37 8.974 -0.735 -6.651 286 HD11 ILE 37 HD11 ILE 37 7.531 0.762 -9.448 287 HD12 ILE 37 HD12 ILE 37 9.008 0.254 -10.268 288 HD13 ILE 37 HD13 ILE 37 8.204 1.755 -10.739 289 H GLU 38 HN GLU 38 9.376 1.376 -3.966 290 HA GLU 38 HA GLU 38 11.967 0.000 -3.605 291 HB2 GLU 38 HB2 GLU 38 11.965 2.046 -2.115 292 HB3 GLU 38 HB1 GLU 38 10.489 1.560 -1.380 293 HG2 GLU 38 HG2 GLU 38 12.311 -0.527 -0.874 294 HG3 GLU 38 HG1 GLU 38 13.196 0.972 -0.642 295 H VAL 39 HN VAL 39 11.546 -2.080 -3.920 296 HA VAL 39 HA VAL 39 9.484 -3.418 -2.273 297 HB VAL 39 HB VAL 39 9.954 -4.178 -5.198 298 HG11 VAL 39 HG11 VAL 39 7.740 -5.147 -3.404 299 HG12 VAL 39 HG12 VAL 39 9.244 -6.021 -3.668 300 HG13 VAL 39 HG13 VAL 39 8.147 -5.726 -5.011 301 HG21 VAL 39 HG21 VAL 39 8.641 -2.308 -5.581 302 HG22 VAL 39 HG22 VAL 39 7.706 -2.517 -4.125 303 HG23 VAL 39 HG23 VAL 39 7.457 -3.588 -5.483 304 HA PRO 40 HA PRO 40 13.680 -5.612 -1.825 305 HB2 PRO 40 HB2 PRO 40 12.671 -6.929 0.450 306 HB3 PRO 40 HB1 PRO 40 13.732 -5.518 0.455 307 HG2 PRO 40 HG2 PRO 40 10.808 -5.655 0.766 308 HG3 PRO 40 HG1 PRO 40 11.989 -4.602 1.564 309 HD2 PRO 40 HD2 PRO 40 10.481 -3.597 -0.377 310 HD3 PRO 40 HD1 PRO 40 12.189 -3.215 -0.256 311 H LEU 41 HN LEU 41 13.851 -7.488 -3.084 312 HA LEU 41 HA LEU 41 11.729 -9.552 -2.784 313 HB2 LEU 41 HB2 LEU 41 12.955 -8.654 -5.367 314 HB3 LEU 41 HB1 LEU 41 12.748 -10.362 -5.195 315 HG LEU 41 HG LEU 41 10.828 -9.796 -6.397 316 HD11 LEU 41 HD11 LEU 41 9.725 -9.306 -3.651 317 HD12 LEU 41 HD12 LEU 41 9.797 -10.853 -4.476 318 HD13 LEU 41 HD13 LEU 41 8.780 -9.579 -5.097 319 HD21 LEU 41 HD21 LEU 41 10.424 -7.236 -4.896 320 HD22 LEU 41 HD22 LEU 41 9.499 -7.818 -6.265 321 HD23 LEU 41 HD23 LEU 41 11.186 -7.379 -6.499 322 H ASN 42 HN ASN 42 12.513 -11.510 -1.936 323 HA ASN 42 HA ASN 42 15.329 -11.338 -1.125 324 HB2 ASN 42 HB2 ASN 42 13.685 -11.926 0.617 325 HB3 ASN 42 HB1 ASN 42 13.090 -13.305 -0.299 326 HD21 ASN 42 HD21 ASN 42 14.010 -13.121 2.360 327 HD22 ASN 42 HD22 ASN 42 15.314 -14.234 2.541 328 H MET 43 HN MET 43 17.034 -12.455 -2.198 329 HA MET 43 HA MET 43 16.274 -13.736 -4.676 330 HB2 MET 43 HB2 MET 43 19.047 -13.242 -3.487 331 HB3 MET 43 HB1 MET 43 18.834 -14.108 -4.999 332 HG2 MET 43 HG2 MET 43 17.599 -11.942 -5.836 333 HG3 MET 43 HG1 MET 43 18.339 -11.169 -4.405 334 HE1 MET 43 HE1 MET 43 21.178 -12.409 -4.078 335 HE2 MET 43 HE2 MET 43 20.869 -10.675 -4.121 336 HE3 MET 43 HE3 MET 43 22.132 -11.375 -5.138 337 H THR 44 HN THR 44 16.233 -15.335 -1.718 338 HA THR 44 HA THR 44 17.240 -17.789 -2.907 339 HB THR 44 HB THR 44 16.133 -17.426 -0.065 340 HG1 THR 44 HG1 THR 44 18.294 -16.598 -0.864 341 HG21 THR 44 HG21 THR 44 15.769 -19.806 -0.833 342 HG22 THR 44 HG22 THR 44 16.901 -19.629 0.497 343 HG23 THR 44 HG23 THR 44 17.515 -19.913 -1.123 344 H THR 45 HN THR 45 13.958 -16.740 -1.682 345 HA THR 45 HA THR 45 12.905 -18.548 -3.690 346 HB THR 45 HB THR 45 12.563 -19.969 -1.898 347 HG1 THR 45 HG1 THR 45 10.354 -18.914 -2.915 348 HG21 THR 45 HG21 THR 45 11.755 -17.645 -0.189 349 HG22 THR 45 HG22 THR 45 12.971 -18.891 0.114 350 HG23 THR 45 HG23 THR 45 11.268 -19.281 0.200 351 H LYS 46 HN LYS 46 13.168 -15.498 -3.477 352 HA LYS 46 HA LYS 46 12.172 -13.638 -4.227 353 HB2 LYS 46 HB2 LYS 46 11.682 -15.228 -6.095 354 HB3 LYS 46 HB1 LYS 46 10.114 -15.544 -5.392 355 HG2 LYS 46 HG2 LYS 46 9.638 -14.093 -7.089 356 HG3 LYS 46 HG1 LYS 46 9.697 -13.003 -5.713 357 HD2 LYS 46 HD2 LYS 46 10.812 -11.948 -7.522 358 HD3 LYS 46 HD1 LYS 46 12.064 -12.468 -6.410 359 HE2 LYS 46 HE2 LYS 46 12.557 -14.402 -7.830 360 HE3 LYS 46 HE1 LYS 46 11.227 -13.959 -8.901 361 HZ1 LYS 46 HZ1 LYS 46 13.725 -12.448 -8.434 362 HZ2 LYS 46 HZ2 LYS 46 12.398 -11.822 -9.269 363 HZ3 LYS 46 HZ3 LYS 46 13.217 -13.180 -9.876 364 H LYS 47 HN LYS 47 11.695 -13.371 -1.747 365 HA LYS 47 HA LYS 47 8.766 -13.326 -1.255 366 HB2 LYS 47 HB2 LYS 47 11.055 -13.809 0.710 367 HB3 LYS 47 HB1 LYS 47 9.408 -13.575 1.233 368 HG2 LYS 47 HG2 LYS 47 10.708 -15.982 -0.033 369 HG3 LYS 47 HG1 LYS 47 9.679 -15.884 1.386 370 HD2 LYS 47 HD2 LYS 47 7.718 -15.472 -0.127 371 HD3 LYS 47 HD1 LYS 47 8.796 -15.701 -1.512 372 HE2 LYS 47 HE2 LYS 47 9.003 -17.950 -1.127 373 HE3 LYS 47 HE1 LYS 47 8.691 -17.806 0.598 374 HZ1 LYS 47 HZ1 LYS 47 6.338 -17.370 0.032 375 HZ2 LYS 47 HZ2 LYS 47 6.852 -18.897 -0.468 376 HZ3 LYS 47 HZ3 LYS 47 6.688 -17.656 -1.602 377 H ASN 48 HN ASN 48 7.886 -11.335 -0.500 378 HA ASN 48 HA ASN 48 9.648 -9.023 -0.873 379 HB2 ASN 48 HB2 ASN 48 7.510 -7.693 -0.570 380 HB3 ASN 48 HB1 ASN 48 7.587 -8.718 -2.011 381 HD21 ASN 48 HD21 ASN 48 6.326 -10.635 -2.093 382 HD22 ASN 48 HD22 ASN 48 5.085 -10.931 -0.917 383 H ARG 49 HN ARG 49 8.960 -10.913 1.753 384 HA ARG 49 HA ARG 49 8.333 -10.731 3.899 385 HB2 ARG 49 HB2 ARG 49 9.878 -8.957 5.186 386 HB3 ARG 49 HB1 ARG 49 10.483 -10.501 4.650 387 HG2 ARG 49 HG2 ARG 49 11.287 -9.241 2.545 388 HG3 ARG 49 HG1 ARG 49 11.005 -7.771 3.487 389 HD2 ARG 49 HD2 ARG 49 12.637 -8.459 5.134 390 HD3 ARG 49 HD1 ARG 49 12.812 -10.035 4.391 391 HE ARG 49 HE ARG 49 14.129 -9.144 2.747 392 HH11 ARG 49 HH11 ARG 49 12.811 -6.501 4.651 393 HH12 ARG 49 HH12 ARG 49 13.906 -5.331 3.996 394 HH21 ARG 49 HH21 ARG 49 15.609 -7.593 1.952 395 HH22 ARG 49 HH22 ARG 49 15.486 -5.944 2.473 396 H GLY 50 HN GLY 50 6.177 -9.807 3.113 397 HA2 GLY 50 HA2 GLY 50 4.360 -8.969 4.183 398 HA3 GLY 50 HA1 GLY 50 5.427 -8.227 5.343 399 H PHE 51 HN PHE 51 6.302 -6.789 2.319 400 HA PHE 51 HA PHE 51 4.398 -4.697 2.624 401 HB2 PHE 51 HB2 PHE 51 5.396 -3.129 4.086 402 HB3 PHE 51 HB1 PHE 51 5.643 -4.664 4.858 403 HD1 PHE 51 HD1 PHE 51 8.011 -5.641 4.909 404 HD2 PHE 51 HD2 PHE 51 7.183 -1.644 3.616 405 HE1 PHE 51 HE1 PHE 51 10.370 -5.051 5.184 406 HE2 PHE 51 HE2 PHE 51 9.531 -1.074 3.895 407 HZ PHE 51 HZ PHE 51 11.135 -2.764 4.674 408 H ALA 52 HN ALA 52 4.449 -3.361 0.581 409 HA ALA 52 HA ALA 52 7.173 -2.588 -0.376 410 HB1 ALA 52 HB1 ALA 52 4.805 -3.482 -2.054 411 HB2 ALA 52 HB2 ALA 52 6.399 -4.214 -1.991 412 HB3 ALA 52 HB3 ALA 52 6.191 -2.635 -2.718 413 H PHE 53 HN PHE 53 7.434 -0.458 -1.138 414 HA PHE 53 HA PHE 53 5.123 1.333 -0.887 415 HB2 PHE 53 HB2 PHE 53 8.029 2.101 -0.889 416 HB3 PHE 53 HB1 PHE 53 6.666 3.173 -0.582 417 HD1 PHE 53 HD1 PHE 53 5.035 1.584 1.453 418 HD2 PHE 53 HD2 PHE 53 9.240 2.073 0.958 419 HE1 PHE 53 HE1 PHE 53 5.403 1.049 3.836 420 HE2 PHE 53 HE2 PHE 53 9.609 1.532 3.269 421 HZ PHE 53 HZ PHE 53 7.686 1.023 4.752 422 H VAL 54 HN VAL 54 4.379 2.807 -2.582 423 HA VAL 54 HA VAL 54 5.852 2.820 -5.090 424 HB VAL 54 HB VAL 54 3.011 1.682 -4.974 425 HG11 VAL 54 HG11 VAL 54 2.468 1.947 -7.230 426 HG12 VAL 54 HG12 VAL 54 3.964 2.769 -7.613 427 HG13 VAL 54 HG13 VAL 54 2.755 3.569 -6.609 428 HG21 VAL 54 HG21 VAL 54 5.263 0.928 -6.780 429 HG22 VAL 54 HG22 VAL 54 3.746 0.116 -6.588 430 HG23 VAL 54 HG23 VAL 54 4.889 0.134 -5.268 431 H GLU 55 HN GLU 55 6.220 5.091 -5.470 432 HA GLU 55 HA GLU 55 4.287 7.138 -4.769 433 HB2 GLU 55 HB2 GLU 55 7.016 6.928 -4.952 434 HB3 GLU 55 HB1 GLU 55 6.635 7.724 -6.463 435 HG2 GLU 55 HG2 GLU 55 5.859 9.700 -5.239 436 HG3 GLU 55 HG1 GLU 55 6.120 8.875 -3.740 437 H TYR 56 HN TYR 56 2.413 7.615 -6.373 438 HA TYR 56 HA TYR 56 2.824 7.256 -9.198 439 HB2 TYR 56 HB2 TYR 56 0.617 8.319 -7.539 440 HB3 TYR 56 HB1 TYR 56 0.829 9.112 -9.101 441 HD1 TYR 56 HD1 TYR 56 1.297 5.410 -8.437 442 HD2 TYR 56 HD2 TYR 56 -1.036 8.507 -10.186 443 HE1 TYR 56 HE1 TYR 56 -0.146 3.725 -9.485 444 HE2 TYR 56 HE2 TYR 56 -2.414 6.858 -11.284 445 HH TYR 56 HH TYR 56 -2.306 4.521 -12.025 446 H VAL 57 HN VAL 57 2.915 8.933 -10.967 447 HA VAL 57 HA VAL 57 4.076 11.456 -10.359 448 HB VAL 57 HB VAL 57 3.273 10.182 -12.940 449 HG11 VAL 57 HG11 VAL 57 2.065 12.122 -13.508 450 HG12 VAL 57 HG12 VAL 57 3.653 12.371 -14.203 451 HG13 VAL 57 HG13 VAL 57 3.205 13.189 -12.716 452 HG21 VAL 57 HG21 VAL 57 5.364 10.975 -13.746 453 HG22 VAL 57 HG22 VAL 57 5.644 10.406 -12.115 454 HG23 VAL 57 HG23 VAL 57 5.516 12.123 -12.433 455 H GLU 58 HN GLU 58 0.450 10.965 -11.151 456 HA GLU 58 HA GLU 58 0.262 13.850 -10.621 457 HB2 GLU 58 HB2 GLU 58 -1.446 12.082 -12.357 458 HB3 GLU 58 HB1 GLU 58 -2.065 13.600 -11.772 459 HG2 GLU 58 HG2 GLU 58 -0.040 13.095 -13.892 460 HG3 GLU 58 HG1 GLU 58 -1.443 14.144 -13.874 461 H VAL 59 HN VAL 59 -1.593 14.668 -9.339 462 HA VAL 59 HA VAL 59 -2.046 12.823 -7.173 463 HB VAL 59 HB VAL 59 -1.823 14.479 -5.800 464 HG11 VAL 59 HG11 VAL 59 -1.443 16.418 -8.019 465 HG12 VAL 59 HG12 VAL 59 -0.223 15.301 -7.420 466 HG13 VAL 59 HG13 VAL 59 -0.853 16.550 -6.364 467 HG21 VAL 59 HG21 VAL 59 -3.657 16.509 -7.008 468 HG22 VAL 59 HG22 VAL 59 -3.087 16.370 -5.351 469 HG23 VAL 59 HG23 VAL 59 -4.234 15.207 -5.973 470 H ASP 60 HN ASP 60 -4.419 14.168 -9.549 471 HA ASP 60 HA ASP 60 -6.768 13.171 -8.246 472 HB2 ASP 60 HB2 ASP 60 -6.928 14.700 -10.209 473 HB3 ASP 60 HB1 ASP 60 -6.415 13.397 -11.277 474 H ASP 61 HN ASP 61 -4.901 11.575 -10.870 475 HA ASP 61 HA ASP 61 -6.043 9.161 -11.062 476 HB2 ASP 61 HB2 ASP 61 -3.032 9.502 -11.348 477 HB3 ASP 61 HB1 ASP 61 -4.076 8.274 -12.069 478 H ALA 62 HN ALA 62 -3.535 9.789 -8.572 479 HA ALA 62 HA ALA 62 -3.192 7.407 -7.346 480 HB1 ALA 62 HB1 ALA 62 -3.329 8.658 -5.110 481 HB2 ALA 62 HB2 ALA 62 -3.644 10.084 -6.080 482 HB3 ALA 62 HB3 ALA 62 -2.159 9.188 -6.278 483 H LYS 63 HN LYS 63 -5.805 9.539 -6.343 484 HA LYS 63 HA LYS 63 -7.343 7.947 -4.665 485 HB2 LYS 63 HB2 LYS 63 -8.196 10.212 -6.455 486 HB3 LYS 63 HB1 LYS 63 -9.363 9.316 -5.523 487 HG2 LYS 63 HG2 LYS 63 -8.846 11.323 -4.351 488 HG3 LYS 63 HG1 LYS 63 -8.206 9.972 -3.434 489 HD2 LYS 63 HD2 LYS 63 -5.931 10.531 -4.158 490 HD3 LYS 63 HD1 LYS 63 -6.553 11.795 -5.219 491 HE2 LYS 63 HE2 LYS 63 -7.191 11.855 -2.308 492 HE3 LYS 63 HE1 LYS 63 -5.603 12.382 -2.855 493 HZ1 LYS 63 HZ1 LYS 63 -6.697 13.969 -4.316 494 HZ2 LYS 63 HZ2 LYS 63 -7.157 14.216 -2.709 495 HZ3 LYS 63 HZ3 LYS 63 -8.213 13.451 -3.778 496 H HIS 64 HN HIS 64 -7.987 8.106 -8.210 497 HA HIS 64 HA HIS 64 -10.030 6.194 -7.944 498 HB2 HIS 64 HB2 HIS 64 -8.931 7.527 -10.310 499 HB3 HIS 64 HB1 HIS 64 -9.623 5.940 -10.582 500 HD1 HIS 64 HD1 HIS 64 -12.002 5.858 -8.851 501 HD2 HIS 64 HD2 HIS 64 -10.912 9.271 -10.931 502 HE1 HIS 64 HE1 HIS 64 -14.056 7.307 -8.896 503 HE2 HIS 64 HE2 HIS 64 -13.406 9.251 -10.344 504 H ALA 65 HN ALA 65 -6.563 5.604 -8.898 505 HA ALA 65 HA ALA 65 -6.979 2.861 -9.303 506 HB1 ALA 65 HB1 ALA 65 -4.972 3.653 -10.198 507 HB2 ALA 65 HB2 ALA 65 -4.506 2.535 -8.921 508 HB3 ALA 65 HB3 ALA 65 -4.393 4.272 -8.667 509 H LEU 66 HN LEU 66 -5.998 4.341 -6.076 510 HA LEU 66 HA LEU 66 -5.779 1.839 -4.907 511 HB2 LEU 66 HB2 LEU 66 -4.861 2.848 -3.160 512 HB3 LEU 66 HB1 LEU 66 -5.194 4.376 -3.872 513 HG LEU 66 HG LEU 66 -7.358 4.426 -2.376 514 HD11 LEU 66 HD11 LEU 66 -5.907 2.368 -0.733 515 HD12 LEU 66 HD12 LEU 66 -7.245 1.935 -1.779 516 HD13 LEU 66 HD13 LEU 66 -7.496 3.067 -0.454 517 HD21 LEU 66 HD21 LEU 66 -5.675 5.869 -1.616 518 HD22 LEU 66 HD22 LEU 66 -4.575 4.552 -1.292 519 HD23 LEU 66 HD23 LEU 66 -5.959 4.803 -0.242 520 H TYR 67 HN TYR 67 -8.842 3.729 -5.129 521 HA TYR 67 HA TYR 67 -10.381 1.959 -3.640 522 HB2 TYR 67 HB2 TYR 67 -10.922 4.231 -4.908 523 HB3 TYR 67 HB1 TYR 67 -11.533 3.115 -6.121 524 HD1 TYR 67 HD2 TYR 67 -13.505 1.716 -5.632 525 HD2 TYR 67 HD1 TYR 67 -12.003 4.508 -2.770 526 HE1 TYR 67 HE2 TYR 67 -15.603 1.558 -4.371 527 HE2 TYR 67 HE1 TYR 67 -14.097 4.333 -1.503 528 HH TYR 67 HH TYR 67 -16.511 3.704 -1.974 529 H ASN 68 HN ASN 68 -9.661 1.740 -7.123 530 HA ASN 68 HA ASN 68 -10.849 -0.839 -7.473 531 HB2 ASN 68 HB2 ASN 68 -10.275 0.866 -9.371 532 HB3 ASN 68 HB1 ASN 68 -8.647 0.169 -9.330 533 HD21 ASN 68 HD21 ASN 68 -8.287 -1.802 -10.222 534 HD22 ASN 68 HD22 ASN 68 -9.476 -2.691 -11.081 535 H MET 69 HN MET 69 -8.076 -0.357 -5.601 536 HA MET 69 HA MET 69 -6.702 -2.640 -6.807 537 HB2 MET 69 HB2 MET 69 -5.638 -0.183 -5.473 538 HB3 MET 69 HB1 MET 69 -4.699 -1.664 -5.342 539 HG2 MET 69 HG2 MET 69 -5.422 -0.127 -7.850 540 HG3 MET 69 HG1 MET 69 -3.835 -0.503 -7.187 541 HE1 MET 69 HE1 MET 69 -4.704 -0.885 -10.209 542 HE2 MET 69 HE2 MET 69 -6.347 -1.427 -9.852 543 HE3 MET 69 HE3 MET 69 -5.210 -2.509 -10.661 544 H ASN 70 HN ASN 70 -8.485 -1.744 -4.065 545 HA ASN 70 HA ASN 70 -7.405 -3.643 -2.219 546 HB2 ASN 70 HB2 ASN 70 -8.977 -1.671 -1.669 547 HB3 ASN 70 HB1 ASN 70 -10.269 -2.680 -2.295 548 HD21 ASN 70 HD21 ASN 70 -11.256 -2.609 -0.261 549 HD22 ASN 70 HD22 ASN 70 -10.692 -3.587 1.048 550 H ASN 71 HN ASN 71 -10.310 -3.717 -4.396 551 HA ASN 71 HA ASN 71 -10.617 -6.557 -3.987 552 HB2 ASN 71 HB2 ASN 71 -12.537 -6.413 -5.572 553 HB3 ASN 71 HB1 ASN 71 -12.624 -5.295 -4.229 554 HD21 ASN 71 HD21 ASN 71 -10.475 -4.301 -6.888 555 HD22 ASN 71 HD22 ASN 71 -11.596 -3.159 -7.545 556 H PHE 72 HN PHE 72 -8.216 -5.420 -5.553 557 HA PHE 72 HA PHE 72 -8.461 -7.056 -7.968 558 HB2 PHE 72 HB2 PHE 72 -7.663 -4.927 -8.600 559 HB3 PHE 72 HB1 PHE 72 -6.609 -4.778 -7.214 560 HD1 PHE 72 HD2 PHE 72 -7.038 -6.412 -10.502 561 HD2 PHE 72 HD1 PHE 72 -4.360 -5.449 -7.337 562 HE1 PHE 72 HE2 PHE 72 -5.125 -7.035 -11.934 563 HE2 PHE 72 HE1 PHE 72 -2.454 -6.055 -8.754 564 HZ PHE 72 HZ PHE 72 -2.836 -6.860 -11.052 565 H GLU 73 HN GLU 73 -7.473 -9.159 -7.963 566 HA GLU 73 HA GLU 73 -5.601 -9.594 -5.773 567 HB2 GLU 73 HB2 GLU 73 -6.668 -11.491 -5.011 568 HB3 GLU 73 HB1 GLU 73 -8.043 -10.688 -5.681 569 HG2 GLU 73 HG2 GLU 73 -7.239 -12.247 -7.787 570 HG3 GLU 73 HG1 GLU 73 -6.757 -13.177 -6.402 571 H LEU 74 HN LEU 74 -3.573 -10.461 -6.316 572 HA LEU 74 HA LEU 74 -3.039 -10.808 -9.200 573 HB2 LEU 74 HB2 LEU 74 -1.516 -9.640 -6.928 574 HB3 LEU 74 HB1 LEU 74 -0.507 -10.595 -7.991 575 HG LEU 74 HG LEU 74 -2.188 -8.191 -8.842 576 HD11 LEU 74 HD11 LEU 74 0.733 -8.449 -8.184 577 HD12 LEU 74 HD12 LEU 74 -0.479 -7.512 -7.305 578 HD13 LEU 74 HD13 LEU 74 -0.008 -7.039 -8.938 579 HD21 LEU 74 HD21 LEU 74 -0.805 -8.099 -10.847 580 HD22 LEU 74 HD22 LEU 74 -1.662 -9.628 -10.799 581 HD23 LEU 74 HD23 LEU 74 0.047 -9.562 -10.370 582 H ASN 75 HN ASN 75 -3.186 -13.150 -9.723 583 HA ASN 75 HA ASN 75 -2.866 -15.428 -9.509 584 HB2 ASN 75 HB2 ASN 75 -0.232 -14.589 -8.125 585 HB3 ASN 75 HB1 ASN 75 -0.607 -16.164 -8.796 586 HD21 ASN 75 HD21 ASN 75 1.602 -14.304 -9.410 587 HD22 ASN 75 HD22 ASN 75 1.505 -14.058 -11.107 588 H GLY 76 HN GLY 76 -4.705 -14.803 -7.635 589 HA2 GLY 76 HA2 GLY 76 -5.748 -15.433 -5.739 590 HA3 GLY 76 HA1 GLY 76 -4.600 -16.720 -5.674 591 H LYS 77 HN LYS 77 -3.629 -13.386 -5.305 592 HA LYS 77 HA LYS 77 -3.163 -13.806 -2.435 593 HB2 LYS 77 HB2 LYS 77 -1.123 -13.365 -4.318 594 HB3 LYS 77 HB1 LYS 77 -1.503 -11.715 -3.866 595 HG2 LYS 77 HG2 LYS 77 -0.169 -13.864 -2.237 596 HG3 LYS 77 HG1 LYS 77 0.371 -12.263 -2.698 597 HD2 LYS 77 HD2 LYS 77 -0.031 -11.845 -0.512 598 HD3 LYS 77 HD1 LYS 77 -1.629 -11.458 -1.127 599 HE2 LYS 77 HE2 LYS 77 -1.703 -12.782 0.943 600 HE3 LYS 77 HE1 LYS 77 -2.414 -13.702 -0.377 601 HZ1 LYS 77 HZ1 LYS 77 -0.297 -14.903 -0.597 602 HZ2 LYS 77 HZ2 LYS 77 -0.943 -15.078 0.950 603 HZ3 LYS 77 HZ3 LYS 77 0.355 -14.026 0.696 604 H ARG 78 HN ARG 78 -4.097 -12.095 -1.115 605 HA ARG 78 HA ARG 78 -5.399 -9.914 -2.598 606 HB2 ARG 78 HB2 ARG 78 -6.778 -11.039 -0.781 607 HB3 ARG 78 HB1 ARG 78 -5.636 -10.437 0.418 608 HG2 ARG 78 HG2 ARG 78 -7.438 -9.007 0.561 609 HG3 ARG 78 HG1 ARG 78 -6.269 -8.093 -0.388 610 HD2 ARG 78 HD2 ARG 78 -8.339 -7.776 -1.453 611 HD3 ARG 78 HD1 ARG 78 -7.510 -8.969 -2.430 612 HE ARG 78 HE ARG 78 -8.902 -10.673 -1.355 613 HH11 ARG 78 HH12 ARG 78 -10.038 -7.325 -1.245 614 HH12 ARG 78 HH11 ARG 78 -11.709 -7.785 -1.043 615 HH21 ARG 78 HH21 ARG 78 -11.091 -11.238 -1.089 616 HH22 ARG 78 HH22 ARG 78 -12.294 -10.005 -0.958 617 H ILE 79 HN ILE 79 -4.510 -7.744 -2.602 618 HA ILE 79 HA ILE 79 -2.284 -7.360 -0.718 619 HB ILE 79 HB ILE 79 -2.065 -5.098 -2.052 620 HG12 ILE 79 HG12 ILE 79 -3.030 -6.853 -4.328 621 HG13 ILE 79 HG11 ILE 79 -4.081 -5.669 -3.542 622 HG21 ILE 79 HG21 ILE 79 -0.577 -6.382 -3.716 623 HG22 ILE 79 HG22 ILE 79 -1.011 -7.798 -2.762 624 HG23 ILE 79 HG23 ILE 79 -0.217 -6.424 -1.999 625 HD11 ILE 79 HD11 ILE 79 -1.503 -5.111 -4.964 626 HD12 ILE 79 HD12 ILE 79 -2.473 -3.901 -4.118 627 HD13 ILE 79 HD13 ILE 79 -3.127 -4.730 -5.536 628 H HIS 80 HN HIS 80 -2.453 -6.188 1.010 629 HA HIS 80 HA HIS 80 -4.832 -4.616 1.560 630 HB2 HIS 80 HB2 HIS 80 -2.216 -4.724 3.191 631 HB3 HIS 80 HB1 HIS 80 -3.789 -4.178 3.762 632 HD1 HIS 80 HD1 HIS 80 -1.643 -7.077 3.589 633 HD2 HIS 80 HD2 HIS 80 -5.726 -6.397 3.967 634 HE1 HIS 80 HE1 HIS 80 -2.586 -9.196 4.543 635 HE2 HIS 80 HE2 HIS 80 -5.074 -8.816 4.662 636 H VAL 81 HN VAL 81 -5.051 -2.331 1.141 637 HA VAL 81 HA VAL 81 -2.571 -1.082 0.121 638 HB VAL 81 HB VAL 81 -5.319 -1.285 -1.239 639 HG11 VAL 81 HG11 VAL 81 -4.660 0.074 -3.088 640 HG12 VAL 81 HG12 VAL 81 -3.183 0.560 -2.290 641 HG13 VAL 81 HG13 VAL 81 -4.751 1.011 -1.625 642 HG21 VAL 81 HG21 VAL 81 -2.599 -2.022 -2.330 643 HG22 VAL 81 HG22 VAL 81 -4.099 -2.101 -3.204 644 HG23 VAL 81 HG23 VAL 81 -3.858 -3.137 -1.821 645 H ASN 82 HN ASN 82 -2.129 1.009 1.202 646 HA ASN 82 HA ASN 82 -4.393 2.736 1.945 647 HB2 ASN 82 HB2 ASN 82 -4.123 1.060 3.945 648 HB3 ASN 82 HB1 ASN 82 -2.685 1.993 4.369 649 HD21 ASN 82 HD21 ASN 82 -3.529 2.887 6.227 650 HD22 ASN 82 HD22 ASN 82 -4.883 3.957 6.237 651 H TYR 83 HN TYR 83 -3.316 4.795 3.347 652 HA TYR 83 HA TYR 83 -1.416 5.810 1.446 653 HB2 TYR 83 HB2 TYR 83 -3.159 7.349 1.930 654 HB3 TYR 83 HB1 TYR 83 -3.058 7.067 3.665 655 HD1 TYR 83 HD1 TYR 83 -1.110 8.597 0.823 656 HD2 TYR 83 HD2 TYR 83 -2.005 8.690 4.995 657 HE1 TYR 83 HE1 TYR 83 0.143 10.677 1.046 658 HE2 TYR 83 HE2 TYR 83 -0.734 10.783 5.212 659 HH TYR 83 HH TYR 83 0.405 12.534 2.471 660 H SER 84 HN SER 84 0.719 7.219 2.324 661 HA SER 84 HA SER 84 1.783 6.000 4.776 662 HB2 SER 84 HB2 SER 84 3.538 5.896 2.307 663 HB3 SER 84 HB1 SER 84 3.769 5.111 3.864 664 HG SER 84 HG SER 84 2.957 3.477 2.792 665 H LYS 85 HN LYS 85 4.231 6.854 5.035 666 HA LYS 85 HA LYS 85 4.223 9.744 4.443 667 HB2 LYS 85 HB2 LYS 85 4.577 8.485 6.903 668 HB3 LYS 85 HB1 LYS 85 6.247 8.826 6.447 669 HG2 LYS 85 HG2 LYS 85 5.872 11.141 6.404 670 HG3 LYS 85 HG1 LYS 85 4.117 10.964 6.377 671 HD2 LYS 85 HD2 LYS 85 4.312 9.932 8.683 672 HD3 LYS 85 HD1 LYS 85 6.007 10.427 8.671 673 HE2 LYS 85 HE2 LYS 85 5.378 12.744 8.434 674 HE3 LYS 85 HE1 LYS 85 3.675 12.311 8.283 675 HZ1 LYS 85 HZ1 LYS 85 4.113 13.069 10.490 676 HZ2 LYS 85 HZ2 LYS 85 5.387 11.976 10.679 677 HZ3 LYS 85 HZ3 LYS 85 3.800 11.407 10.557 678 H THR 86 HN THR 86 6.412 10.782 3.695 679 HA THR 86 HA THR 86 8.056 8.698 2.378 680 HB THR 86 HB THR 86 8.405 10.732 0.654 681 HG1 THR 86 HG1 THR 86 7.019 12.230 1.274 682 HG21 THR 86 HG21 THR 86 7.742 8.606 -0.214 683 HG22 THR 86 HG22 THR 86 6.549 9.778 -0.787 684 HG23 THR 86 HG23 THR 86 6.159 8.706 0.554 Start of MODEL 20 1 H1 GLY -2 HT1 GLY -2 -13.151 -4.079 11.003 2 H2 GLY -2 HT2 GLY -2 -12.155 -4.655 9.767 3 H3 GLY -2 HT3 GLY -2 -13.802 -4.401 9.476 4 HA2 GLY -2 HA1 GLY -2 -13.513 -2.014 9.870 5 HA3 GLY -2 HA2 GLY -2 -11.792 -2.307 10.065 6 H SER -1 HN SER -1 -10.950 -1.237 8.297 7 HA SER -1 HA SER -1 -12.196 -1.612 5.712 8 HB2 SER -1 HB2 SER -1 -10.315 -0.029 4.988 9 HB3 SER -1 HB1 SER -1 -11.514 0.615 6.112 10 HG SER -1 HG SER -1 -9.657 1.170 7.075 11 H HIS 0 HN HIS 0 -8.696 -1.546 6.195 12 HA HIS 0 HA HIS 0 -8.424 -4.380 5.615 13 HB2 HIS 0 HB2 HIS 0 -7.762 -2.292 3.617 14 HB3 HIS 0 HB1 HIS 0 -6.528 -3.496 3.870 15 HD1 HIS 0 HD1 HIS 0 -8.854 -2.884 1.477 16 HD2 HIS 0 HD2 HIS 0 -8.313 -6.193 3.932 17 HE1 HIS 0 HE1 HIS 0 -9.956 -4.803 0.282 18 HE2 HIS 0 HE2 HIS 0 -9.835 -6.722 1.906 19 H MET 1 HN MET 1 -6.746 -1.283 6.052 20 HA MET 1 HA MET 1 -5.083 -2.452 8.126 21 HB2 MET 1 HB2 MET 1 -4.045 -1.684 5.462 22 HB3 MET 1 HB1 MET 1 -3.161 -0.978 6.802 23 HG2 MET 1 HG2 MET 1 -3.468 -3.897 6.078 24 HG3 MET 1 HG1 MET 1 -2.007 -2.924 6.216 25 HE1 MET 1 HE1 MET 1 -1.379 -5.375 9.146 26 HE2 MET 1 HE2 MET 1 -0.728 -4.633 7.687 27 HE3 MET 1 HE3 MET 1 -2.082 -5.755 7.574 28 H SER 2 HN SER 2 -4.988 0.596 6.230 29 HA SER 2 HA SER 2 -5.426 2.113 8.679 30 HB2 SER 2 HB2 SER 2 -2.971 1.602 8.534 31 HB3 SER 2 HB1 SER 2 -2.919 2.417 6.972 32 HG SER 2 HG SER 2 -2.321 3.928 8.442 33 H ASP 3 HN ASP 3 -5.712 4.470 8.185 34 HA ASP 3 HA ASP 3 -6.039 5.186 5.409 35 HB2 ASP 3 HB2 ASP 3 -8.274 4.302 6.175 36 HB3 ASP 3 HB1 ASP 3 -8.294 5.585 7.380 37 H ASN 4 HN ASN 4 -5.259 7.131 5.128 38 HA ASN 4 HA ASN 4 -5.425 9.217 7.112 39 HB2 ASN 4 HB2 ASN 4 -2.856 9.737 6.820 40 HB3 ASN 4 HB1 ASN 4 -3.388 8.594 8.028 41 HD21 ASN 4 HD21 ASN 4 -0.891 9.102 6.294 42 HD22 ASN 4 HD22 ASN 4 -0.449 7.509 5.789 43 H ASN 5 HN ASN 5 -3.618 11.086 5.951 44 HA ASN 5 HA ASN 5 -5.354 11.688 3.618 45 HB2 ASN 5 HB2 ASN 5 -4.488 14.135 3.993 46 HB3 ASN 5 HB1 ASN 5 -5.579 13.488 5.226 47 HD21 ASN 5 HD21 ASN 5 -4.752 13.082 7.277 48 HD22 ASN 5 HD22 ASN 5 -3.203 13.652 7.789 49 H ALA 6 HN ALA 6 -2.833 10.095 3.141 50 HA ALA 6 HA ALA 6 -0.733 11.666 2.173 51 HB1 ALA 6 HB1 ALA 6 -1.363 8.909 1.134 52 HB2 ALA 6 HB2 ALA 6 -0.413 9.243 2.583 53 HB3 ALA 6 HB3 ALA 6 0.151 9.763 1.007 54 H THR 7 HN THR 7 -0.548 12.975 0.449 55 HA THR 7 HA THR 7 -1.912 12.251 -2.050 56 HB THR 7 HB THR 7 -1.853 14.615 -1.609 57 HG1 THR 7 HG1 THR 7 0.210 14.377 -3.520 58 HG21 THR 7 HG21 THR 7 1.049 14.153 -1.107 59 HG22 THR 7 HG22 THR 7 -0.124 15.070 -0.155 60 HG23 THR 7 HG23 THR 7 0.502 15.732 -1.661 61 H ASP 8 HN ASP 8 -0.668 11.284 -3.871 62 HA ASP 8 HA ASP 8 0.928 10.532 -5.179 63 HB2 ASP 8 HB2 ASP 8 2.675 12.061 -5.607 64 HB3 ASP 8 HB1 ASP 8 1.618 13.034 -4.645 65 H ILE 9 HN ILE 9 0.670 9.250 -2.237 66 HA ILE 9 HA ILE 9 3.045 7.542 -2.425 67 HB ILE 9 HB ILE 9 2.192 8.753 0.233 68 HG12 ILE 9 HG12 ILE 9 4.808 9.349 -1.073 69 HG13 ILE 9 HG11 ILE 9 3.416 10.099 -1.722 70 HG21 ILE 9 HG21 ILE 9 4.687 7.181 -0.331 71 HG22 ILE 9 HG22 ILE 9 3.228 6.466 0.315 72 HG23 ILE 9 HG23 ILE 9 4.063 7.691 1.230 73 HD11 ILE 9 HD11 ILE 9 2.989 11.341 0.237 74 HD12 ILE 9 HD12 ILE 9 4.700 11.507 -0.131 75 HD13 ILE 9 HD13 ILE 9 4.176 10.441 1.158 76 H LEU 10 HN LEU 10 2.358 5.485 -2.795 77 HA LEU 10 HA LEU 10 -0.157 4.565 -1.476 78 HB2 LEU 10 HB2 LEU 10 0.873 4.137 -4.287 79 HB3 LEU 10 HB1 LEU 10 -0.255 2.999 -3.572 80 HG LEU 10 HG LEU 10 -0.874 5.171 -5.181 81 HD11 LEU 10 HD11 LEU 10 -2.620 3.602 -3.406 82 HD12 LEU 10 HD12 LEU 10 -2.111 3.241 -5.060 83 HD13 LEU 10 HD13 LEU 10 -3.136 4.630 -4.738 84 HD21 LEU 10 HD21 LEU 10 -2.012 5.973 -2.453 85 HD22 LEU 10 HD22 LEU 10 -2.208 6.799 -3.969 86 HD23 LEU 10 HD23 LEU 10 -0.653 6.823 -3.189 87 H PHE 11 HN PHE 11 0.926 3.092 0.293 88 HA PHE 11 HA PHE 11 2.878 1.197 -0.476 89 HB2 PHE 11 HB2 PHE 11 3.050 2.221 1.689 90 HB3 PHE 11 HB1 PHE 11 1.367 1.994 2.028 91 HD1 PHE 11 HD2 PHE 11 0.577 -0.385 2.753 92 HD2 PHE 11 HD1 PHE 11 4.700 0.854 2.635 93 HE1 PHE 11 HE2 PHE 11 1.164 -2.010 4.513 94 HE2 PHE 11 HE1 PHE 11 5.229 -0.749 4.360 95 HZ PHE 11 HZ PHE 11 3.476 -2.211 5.293 96 H VAL 12 HN VAL 12 2.533 -0.642 -1.576 97 HA VAL 12 HA VAL 12 0.023 -2.182 -1.309 98 HB VAL 12 HB VAL 12 2.171 -2.239 -3.491 99 HG11 VAL 12 HG11 VAL 12 1.257 -4.090 -4.712 100 HG12 VAL 12 HG12 VAL 12 0.005 -4.347 -3.514 101 HG13 VAL 12 HG13 VAL 12 1.701 -4.659 -3.106 102 HG21 VAL 12 HG21 VAL 12 0.096 -0.726 -3.730 103 HG22 VAL 12 HG22 VAL 12 -0.695 -2.237 -4.173 104 HG23 VAL 12 HG23 VAL 12 0.669 -1.673 -5.089 105 H GLY 13 HN GLY 13 0.286 -3.968 0.374 106 HA2 GLY 13 HA2 GLY 13 2.827 -5.473 0.220 107 HA3 GLY 13 HA1 GLY 13 1.920 -5.231 1.720 108 H GLY 14 HN GLY 14 2.552 -7.795 0.788 109 HA2 GLY 14 HA2 GLY 14 1.409 -9.794 0.579 110 HA3 GLY 14 HA1 GLY 14 -0.076 -8.912 0.428 111 H ILE 15 HN ILE 15 2.933 -9.052 -1.570 112 HA ILE 15 HA ILE 15 1.179 -9.872 -3.743 113 HB ILE 15 HB ILE 15 3.522 -9.230 -5.083 114 HG12 ILE 15 HG12 ILE 15 2.961 -6.634 -3.972 115 HG13 ILE 15 HG11 ILE 15 3.564 -7.670 -2.709 116 HG21 ILE 15 HG21 ILE 15 2.091 -7.378 -5.955 117 HG22 ILE 15 HG22 ILE 15 0.934 -7.716 -4.673 118 HG23 ILE 15 HG23 ILE 15 1.273 -8.937 -5.899 119 HD11 ILE 15 HD11 ILE 15 5.400 -6.504 -3.600 120 HD12 ILE 15 HD12 ILE 15 4.916 -6.841 -5.247 121 HD13 ILE 15 HD13 ILE 15 5.521 -8.141 -4.228 122 H ASP 16 HN ASP 16 1.946 -11.496 -5.318 123 HA ASP 16 HA ASP 16 2.766 -13.916 -4.214 124 HB2 ASP 16 HB2 ASP 16 2.618 -14.676 -6.561 125 HB3 ASP 16 HB1 ASP 16 1.327 -13.533 -6.215 126 H GLU 17 HN GLU 17 4.752 -15.318 -4.969 127 HA GLU 17 HA GLU 17 7.128 -13.674 -4.869 128 HB2 GLU 17 HB2 GLU 17 8.428 -15.865 -4.648 129 HB3 GLU 17 HB1 GLU 17 7.219 -15.615 -3.397 130 HG2 GLU 17 HG2 GLU 17 5.712 -17.136 -4.854 131 HG3 GLU 17 HG1 GLU 17 7.216 -17.561 -5.671 132 H THR 18 HN THR 18 5.502 -14.388 -7.734 133 HA THR 18 HA THR 18 8.104 -14.722 -9.111 134 HB THR 18 HB THR 18 6.506 -16.579 -9.760 135 HG1 THR 18 HG1 THR 18 8.178 -16.194 -11.106 136 HG21 THR 18 HG21 THR 18 5.009 -14.377 -11.226 137 HG22 THR 18 HG22 THR 18 4.329 -15.533 -10.082 138 HG23 THR 18 HG23 THR 18 4.914 -16.077 -11.641 139 H ILE 19 HN ILE 19 6.879 -12.163 -8.092 140 HA ILE 19 HA ILE 19 6.840 -10.666 -10.611 141 HB ILE 19 HB ILE 19 5.994 -8.609 -9.484 142 HG12 ILE 19 HG12 ILE 19 5.728 -8.287 -7.270 143 HG13 ILE 19 HG11 ILE 19 4.609 -9.612 -7.139 144 HG21 ILE 19 HG21 ILE 19 4.398 -10.038 -10.657 145 HG22 ILE 19 HG22 ILE 19 3.676 -9.133 -9.339 146 HG23 ILE 19 HG23 ILE 19 4.004 -10.838 -9.136 147 HD11 ILE 19 HD11 ILE 19 6.155 -10.926 -6.147 148 HD12 ILE 19 HD12 ILE 19 6.832 -9.364 -5.698 149 HD13 ILE 19 HD13 ILE 19 7.509 -10.254 -7.058 150 H ASP 20 HN ASP 20 7.931 -8.448 -10.465 151 HA ASP 20 HA ASP 20 10.321 -8.397 -8.907 152 HB2 ASP 20 HB2 ASP 20 10.219 -9.651 -11.417 153 HB3 ASP 20 HB1 ASP 20 11.228 -8.282 -11.652 154 H GLU 21 HN GLU 21 11.754 -6.388 -9.707 155 HA GLU 21 HA GLU 21 10.437 -4.059 -9.285 156 HB2 GLU 21 HB2 GLU 21 13.109 -4.638 -10.369 157 HB3 GLU 21 HB1 GLU 21 12.493 -3.092 -10.877 158 HG2 GLU 21 HG2 GLU 21 13.959 -3.553 -8.702 159 HG3 GLU 21 HG1 GLU 21 12.928 -2.147 -8.906 160 H LYS 22 HN LYS 22 10.861 -5.235 -12.648 161 HA LYS 22 HA LYS 22 9.880 -2.748 -13.697 162 HB2 LYS 22 HB2 LYS 22 10.266 -5.029 -15.573 163 HB3 LYS 22 HB1 LYS 22 10.661 -3.347 -15.777 164 HG2 LYS 22 HG2 LYS 22 12.726 -4.383 -15.838 165 HG3 LYS 22 HG1 LYS 22 12.673 -3.851 -14.163 166 HD2 LYS 22 HD2 LYS 22 11.665 -6.234 -13.730 167 HD3 LYS 22 HD1 LYS 22 12.327 -6.594 -15.316 168 HE2 LYS 22 HE2 LYS 22 13.889 -5.540 -12.964 169 HE3 LYS 22 HE1 LYS 22 13.945 -7.183 -13.597 170 HZ1 LYS 22 HZ1 LYS 22 14.865 -6.313 -15.648 171 HZ2 LYS 22 HZ2 LYS 22 15.829 -5.858 -14.336 172 HZ3 LYS 22 HZ3 LYS 22 14.792 -4.730 -15.050 173 H SER 23 HN SER 23 8.604 -5.992 -13.183 174 HA SER 23 HA SER 23 6.350 -5.848 -14.790 175 HB2 SER 23 HB2 SER 23 6.248 -7.497 -12.329 176 HB3 SER 23 HB1 SER 23 5.999 -7.931 -14.013 177 HG SER 23 HG SER 23 8.295 -8.007 -12.512 178 H LEU 24 HN LEU 24 6.653 -5.090 -11.246 179 HA LEU 24 HA LEU 24 3.860 -4.389 -10.961 180 HB2 LEU 24 HB2 LEU 24 6.037 -3.505 -9.037 181 HB3 LEU 24 HB1 LEU 24 4.321 -3.417 -8.808 182 HG LEU 24 HG LEU 24 5.618 -6.069 -9.298 183 HD11 LEU 24 HD11 LEU 24 6.706 -4.772 -7.302 184 HD12 LEU 24 HD12 LEU 24 6.114 -6.392 -7.020 185 HD13 LEU 24 HD13 LEU 24 5.150 -5.020 -6.514 186 HD21 LEU 24 HD21 LEU 24 3.612 -6.935 -8.696 187 HD22 LEU 24 HD22 LEU 24 2.993 -5.342 -9.060 188 HD23 LEU 24 HD23 LEU 24 3.392 -5.765 -7.405 189 H TYR 25 HN TYR 25 6.519 -2.412 -12.164 190 HA TYR 25 HA TYR 25 5.375 0.131 -12.160 191 HB2 TYR 25 HB2 TYR 25 7.753 -0.643 -12.973 192 HB3 TYR 25 HB1 TYR 25 7.023 -0.935 -14.525 193 HD1 TYR 25 HD2 TYR 25 5.777 1.382 -15.496 194 HD2 TYR 25 HD1 TYR 25 9.044 1.207 -12.726 195 HE1 TYR 25 HE2 TYR 25 6.505 3.607 -16.212 196 HE2 TYR 25 HE1 TYR 25 9.784 3.428 -13.477 197 HH TYR 25 HH TYR 25 7.880 5.534 -15.193 198 H ASP 26 HN ASP 26 5.247 -2.249 -14.922 199 HA ASP 26 HA ASP 26 3.435 -0.850 -16.515 200 HB2 ASP 26 HB2 ASP 26 5.058 -2.824 -17.123 201 HB3 ASP 26 HB1 ASP 26 3.610 -3.806 -16.918 202 H ILE 27 HN ILE 27 2.479 -3.519 -14.229 203 HA ILE 27 HA ILE 27 -0.176 -3.566 -15.205 204 HB ILE 27 HB ILE 27 0.492 -4.507 -12.347 205 HG12 ILE 27 HG12 ILE 27 0.303 -6.655 -14.328 206 HG13 ILE 27 HG11 ILE 27 1.632 -5.615 -14.772 207 HG21 ILE 27 HG21 ILE 27 -1.405 -5.968 -12.672 208 HG22 ILE 27 HG22 ILE 27 -1.597 -5.400 -14.324 209 HG23 ILE 27 HG23 ILE 27 -1.869 -4.308 -12.978 210 HD11 ILE 27 HD11 ILE 27 2.405 -7.501 -13.513 211 HD12 ILE 27 HD12 ILE 27 1.321 -7.152 -12.174 212 HD13 ILE 27 HD13 ILE 27 2.654 -6.049 -12.550 213 H PHE 28 HN PHE 28 1.161 -1.503 -12.473 214 HA PHE 28 HA PHE 28 -1.407 -0.268 -12.148 215 HB2 PHE 28 HB2 PHE 28 1.290 0.072 -10.971 216 HB3 PHE 28 HB1 PHE 28 0.104 1.363 -10.779 217 HD1 PHE 28 HD2 PHE 28 0.325 -2.329 -10.354 218 HD2 PHE 28 HD1 PHE 28 -1.122 1.385 -8.881 219 HE1 PHE 28 HE2 PHE 28 -0.573 -3.473 -8.403 220 HE2 PHE 28 HE1 PHE 28 -2.001 0.287 -6.884 221 HZ PHE 28 HZ PHE 28 -1.748 -2.173 -6.637 222 H SER 29 HN SER 29 0.866 0.170 -14.703 223 HA SER 29 HA SER 29 0.609 3.061 -14.709 224 HB2 SER 29 HB2 SER 29 1.889 3.015 -16.882 225 HB3 SER 29 HB1 SER 29 2.821 2.541 -15.460 226 HG SER 29 HG SER 29 2.446 1.193 -17.677 227 H SER 30 HN SER 30 -1.451 0.681 -15.519 228 HA SER 30 HA SER 30 -2.392 1.364 -18.094 229 HB2 SER 30 HB2 SER 30 -4.507 0.143 -17.359 230 HB3 SER 30 HB1 SER 30 -3.020 -0.795 -17.227 231 HG SER 30 HG SER 30 -3.305 -0.897 -15.140 232 H PHE 31 HN PHE 31 -3.650 2.464 -14.843 233 HA PHE 31 HA PHE 31 -4.995 4.667 -16.171 234 HB2 PHE 31 HB2 PHE 31 -4.940 3.547 -13.451 235 HB3 PHE 31 HB1 PHE 31 -5.010 5.295 -13.505 236 HD1 PHE 31 HD2 PHE 31 -6.694 2.499 -15.374 237 HD2 PHE 31 HD1 PHE 31 -7.079 6.135 -13.188 238 HE1 PHE 31 HE2 PHE 31 -9.142 2.412 -15.654 239 HE2 PHE 31 HE1 PHE 31 -9.519 6.049 -13.460 240 HZ PHE 31 HZ PHE 31 -10.557 4.187 -14.693 241 H GLY 32 HN GLY 32 -2.044 4.249 -14.211 242 HA2 GLY 32 HA2 GLY 32 -1.261 7.033 -14.810 243 HA3 GLY 32 HA1 GLY 32 -1.292 6.414 -13.198 244 H ASP 33 HN ASP 33 0.750 7.021 -15.676 245 HA ASP 33 HA ASP 33 2.771 5.077 -15.351 246 HB2 ASP 33 HB2 ASP 33 3.159 7.976 -16.143 247 HB3 ASP 33 HB1 ASP 33 4.363 6.717 -16.294 248 H ILE 34 HN ILE 34 5.133 5.609 -14.355 249 HA ILE 34 HA ILE 34 4.428 6.030 -11.508 250 HB ILE 34 HB ILE 34 5.800 3.615 -12.768 251 HG12 ILE 34 HG12 ILE 34 3.448 3.151 -12.664 252 HG13 ILE 34 HG11 ILE 34 4.169 2.290 -11.343 253 HG21 ILE 34 HG21 ILE 34 7.213 4.096 -10.939 254 HG22 ILE 34 HG22 ILE 34 6.343 2.605 -10.667 255 HG23 ILE 34 HG23 ILE 34 5.869 4.065 -9.829 256 HD11 ILE 34 HD11 ILE 34 2.035 4.027 -11.215 257 HD12 ILE 34 HD12 ILE 34 3.337 4.875 -10.433 258 HD13 ILE 34 HD13 ILE 34 2.900 3.290 -9.876 259 H ARG 35 HN ARG 35 6.088 7.003 -10.027 260 HA ARG 35 HA ARG 35 8.308 8.443 -11.206 261 HB2 ARG 35 HB2 ARG 35 6.907 8.613 -8.662 262 HB3 ARG 35 HB1 ARG 35 8.644 8.503 -8.331 263 HG2 ARG 35 HG2 ARG 35 8.971 10.625 -8.854 264 HG3 ARG 35 HG1 ARG 35 8.045 10.557 -10.333 265 HD2 ARG 35 HD2 ARG 35 6.572 11.887 -9.293 266 HD3 ARG 35 HD1 ARG 35 6.088 10.514 -8.310 267 HE ARG 35 HE ARG 35 8.312 11.821 -7.189 268 HH11 ARG 35 HH12 ARG 35 4.868 12.226 -7.727 269 HH12 ARG 35 HH11 ARG 35 4.653 13.282 -6.375 270 HH21 ARG 35 HH21 ARG 35 8.029 13.327 -5.484 271 HH22 ARG 35 HH22 ARG 35 6.444 13.905 -5.106 272 H ASN 36 HN ASN 36 8.380 5.455 -9.101 273 HA ASN 36 HA ASN 36 11.090 4.864 -9.343 274 HB2 ASN 36 HB2 ASN 36 11.421 7.110 -8.208 275 HB3 ASN 36 HB1 ASN 36 10.532 6.488 -6.823 276 HD21 ASN 36 HD21 ASN 36 12.140 6.436 -5.231 277 HD22 ASN 36 HD22 ASN 36 13.583 5.503 -5.406 278 H ILE 37 HN ILE 37 11.546 2.887 -7.485 279 HA ILE 37 HA ILE 37 8.959 2.066 -6.402 280 HB ILE 37 HB ILE 37 10.160 0.625 -8.843 281 HG12 ILE 37 HG12 ILE 37 8.298 2.316 -9.121 282 HG13 ILE 37 HG11 ILE 37 8.069 0.750 -9.881 283 HG21 ILE 37 HG21 ILE 37 8.845 -1.328 -8.592 284 HG22 ILE 37 HG22 ILE 37 8.138 -0.766 -7.095 285 HG23 ILE 37 HG23 ILE 37 9.844 -1.157 -7.172 286 HD11 ILE 37 HD11 ILE 37 6.824 0.218 -7.632 287 HD12 ILE 37 HD12 ILE 37 6.014 1.087 -8.929 288 HD13 ILE 37 HD13 ILE 37 6.663 1.973 -7.557 289 H GLU 38 HN GLU 38 9.364 1.026 -4.453 290 HA GLU 38 HA GLU 38 12.114 -0.108 -4.184 291 HB2 GLU 38 HB2 GLU 38 12.009 1.998 -2.880 292 HB3 GLU 38 HB1 GLU 38 10.628 1.467 -2.009 293 HG2 GLU 38 HG2 GLU 38 12.163 -0.273 -0.927 294 HG3 GLU 38 HG1 GLU 38 13.480 0.536 -1.718 295 H VAL 39 HN VAL 39 11.885 -2.320 -4.261 296 HA VAL 39 HA VAL 39 9.958 -3.599 -2.367 297 HB VAL 39 HB VAL 39 10.835 -4.906 -4.972 298 HG11 VAL 39 HG11 VAL 39 8.974 -6.395 -4.734 299 HG12 VAL 39 HG12 VAL 39 8.410 -5.534 -3.312 300 HG13 VAL 39 HG13 VAL 39 9.936 -6.411 -3.256 301 HG21 VAL 39 HG21 VAL 39 9.602 -3.081 -5.874 302 HG22 VAL 39 HG22 VAL 39 8.301 -3.305 -4.708 303 HG23 VAL 39 HG23 VAL 39 8.577 -4.509 -5.951 304 HA PRO 40 HA PRO 40 14.078 -5.612 -1.360 305 HB2 PRO 40 HB2 PRO 40 13.242 -6.661 1.042 306 HB3 PRO 40 HB1 PRO 40 13.995 -5.062 0.894 307 HG2 PRO 40 HG2 PRO 40 11.127 -5.762 1.091 308 HG3 PRO 40 HG1 PRO 40 12.047 -4.477 1.891 309 HD2 PRO 40 HD2 PRO 40 10.532 -3.918 -0.246 310 HD3 PRO 40 HD1 PRO 40 12.099 -3.138 0.056 311 H LEU 41 HN LEU 41 14.466 -7.857 -1.614 312 HA LEU 41 HA LEU 41 12.196 -9.700 -1.784 313 HB2 LEU 41 HB2 LEU 41 13.362 -8.548 -4.211 314 HB3 LEU 41 HB1 LEU 41 13.701 -10.258 -4.192 315 HG LEU 41 HG LEU 41 11.669 -10.594 -5.144 316 HD11 LEU 41 HD11 LEU 41 10.283 -9.147 -2.877 317 HD12 LEU 41 HD12 LEU 41 10.479 -10.893 -3.054 318 HD13 LEU 41 HD13 LEU 41 9.479 -10.005 -4.179 319 HD21 LEU 41 HD21 LEU 41 10.248 -8.750 -5.863 320 HD22 LEU 41 HD22 LEU 41 11.943 -8.424 -6.200 321 HD23 LEU 41 HD23 LEU 41 11.138 -7.647 -4.830 322 H ASN 42 HN ASN 42 13.117 -11.935 -1.146 323 HA ASN 42 HA ASN 42 15.880 -11.428 -0.206 324 HB2 ASN 42 HB2 ASN 42 14.224 -11.780 1.651 325 HB3 ASN 42 HB1 ASN 42 13.935 -13.430 1.139 326 HD21 ASN 42 HD21 ASN 42 14.630 -14.024 3.232 327 HD22 ASN 42 HD22 ASN 42 16.314 -14.093 3.618 328 H MET 43 HN MET 43 17.597 -12.639 -1.075 329 HA MET 43 HA MET 43 16.893 -14.040 -3.449 330 HB2 MET 43 HB2 MET 43 19.608 -13.565 -2.152 331 HB3 MET 43 HB1 MET 43 19.462 -14.569 -3.578 332 HG2 MET 43 HG2 MET 43 18.414 -12.474 -4.741 333 HG3 MET 43 HG1 MET 43 19.020 -11.571 -3.325 334 HE1 MET 43 HE1 MET 43 21.713 -12.664 -2.500 335 HE2 MET 43 HE2 MET 43 21.507 -10.958 -2.899 336 HE3 MET 43 HE3 MET 43 22.849 -11.871 -3.590 337 H THR 44 HN THR 44 16.733 -15.574 -0.451 338 HA THR 44 HA THR 44 17.606 -18.095 -1.600 339 HB THR 44 HB THR 44 16.457 -17.650 1.201 340 HG1 THR 44 HG1 THR 44 18.568 -17.810 1.825 341 HG21 THR 44 HG21 THR 44 16.028 -20.023 0.435 342 HG22 THR 44 HG22 THR 44 17.139 -19.883 1.794 343 HG23 THR 44 HG23 THR 44 17.770 -20.198 0.185 344 H THR 45 HN THR 45 14.348 -16.789 -0.564 345 HA THR 45 HA THR 45 13.296 -18.638 -2.563 346 HB THR 45 HB THR 45 12.514 -19.873 -0.889 347 HG1 THR 45 HG1 THR 45 10.608 -18.616 -1.950 348 HG21 THR 45 HG21 THR 45 12.300 -17.497 0.965 349 HG22 THR 45 HG22 THR 45 13.306 -18.942 1.088 350 HG23 THR 45 HG23 THR 45 11.576 -19.057 1.330 351 H LYS 46 HN LYS 46 13.817 -15.562 -2.525 352 HA LYS 46 HA LYS 46 13.009 -13.621 -3.367 353 HB2 LYS 46 HB2 LYS 46 12.849 -15.021 -5.364 354 HB3 LYS 46 HB1 LYS 46 11.281 -15.629 -4.903 355 HG2 LYS 46 HG2 LYS 46 10.739 -14.196 -6.586 356 HG3 LYS 46 HG1 LYS 46 10.526 -13.124 -5.212 357 HD2 LYS 46 HD2 LYS 46 11.652 -11.844 -6.833 358 HD3 LYS 46 HD1 LYS 46 12.926 -12.332 -5.727 359 HE2 LYS 46 HE2 LYS 46 13.695 -14.017 -7.243 360 HE3 LYS 46 HE1 LYS 46 12.280 -13.802 -8.272 361 HZ1 LYS 46 HZ1 LYS 46 13.021 -11.629 -8.888 362 HZ2 LYS 46 HZ2 LYS 46 14.296 -12.724 -9.145 363 HZ3 LYS 46 HZ3 LYS 46 14.322 -11.697 -7.793 364 H LYS 47 HN LYS 47 12.137 -13.390 -1.002 365 HA LYS 47 HA LYS 47 9.179 -13.378 -0.947 366 HB2 LYS 47 HB2 LYS 47 11.137 -13.861 1.339 367 HB3 LYS 47 HB1 LYS 47 9.402 -13.800 1.531 368 HG2 LYS 47 HG2 LYS 47 11.057 -15.954 0.194 369 HG3 LYS 47 HG1 LYS 47 9.947 -16.080 1.559 370 HD2 LYS 47 HD2 LYS 47 9.035 -15.393 -1.259 371 HD3 LYS 47 HD1 LYS 47 9.068 -17.032 -0.625 372 HE2 LYS 47 HE2 LYS 47 7.628 -15.963 1.318 373 HE3 LYS 47 HE1 LYS 47 7.260 -14.776 0.067 374 HZ1 LYS 47 HZ1 LYS 47 6.582 -16.653 -1.386 375 HZ2 LYS 47 HZ2 LYS 47 5.622 -16.508 0.003 376 HZ3 LYS 47 HZ3 LYS 47 6.805 -17.710 -0.084 377 H ASN 48 HN ASN 48 8.079 -11.537 -0.055 378 HA ASN 48 HA ASN 48 9.689 -9.115 -0.327 379 HB2 ASN 48 HB2 ASN 48 7.470 -7.950 -0.432 380 HB3 ASN 48 HB1 ASN 48 7.673 -9.169 -1.689 381 HD21 ASN 48 HD21 ASN 48 6.587 -11.243 -1.359 382 HD22 ASN 48 HD22 ASN 48 5.188 -11.346 -0.357 383 H ARG 49 HN ARG 49 8.822 -11.036 2.228 384 HA ARG 49 HA ARG 49 8.066 -10.829 4.354 385 HB2 ARG 49 HB2 ARG 49 9.576 -9.143 5.725 386 HB3 ARG 49 HB1 ARG 49 10.239 -10.626 5.087 387 HG2 ARG 49 HG2 ARG 49 11.086 -9.237 3.120 388 HG3 ARG 49 HG1 ARG 49 10.670 -7.807 4.098 389 HD2 ARG 49 HD2 ARG 49 12.114 -8.822 5.933 390 HD3 ARG 49 HD1 ARG 49 12.661 -9.986 4.725 391 HE ARG 49 HE ARG 49 13.077 -7.601 3.511 392 HH11 ARG 49 HH12 ARG 49 14.056 -8.906 6.637 393 HH12 ARG 49 HH11 ARG 49 15.524 -7.986 6.692 394 HH21 ARG 49 HH22 ARG 49 15.024 -6.408 3.612 395 HH22 ARG 49 HH21 ARG 49 16.071 -6.570 4.983 396 H GLY 50 HN GLY 50 5.986 -9.821 3.328 397 HA2 GLY 50 HA2 GLY 50 4.119 -8.908 4.210 398 HA3 GLY 50 HA1 GLY 50 5.083 -8.189 5.470 399 H PHE 51 HN PHE 51 6.197 -6.898 2.388 400 HA PHE 51 HA PHE 51 4.405 -4.699 2.539 401 HB2 PHE 51 HB2 PHE 51 5.345 -3.185 4.060 402 HB3 PHE 51 HB1 PHE 51 5.562 -4.729 4.837 403 HD1 PHE 51 HD1 PHE 51 7.882 -5.685 5.109 404 HD2 PHE 51 HD2 PHE 51 7.233 -1.725 3.591 405 HE1 PHE 51 HE1 PHE 51 10.220 -5.130 5.495 406 HE2 PHE 51 HE2 PHE 51 9.581 -1.206 3.992 407 HZ PHE 51 HZ PHE 51 11.083 -2.905 4.925 408 H ALA 52 HN ALA 52 4.624 -3.484 0.416 409 HA ALA 52 HA ALA 52 7.398 -2.716 -0.311 410 HB1 ALA 52 HB1 ALA 52 6.656 -2.875 -2.758 411 HB2 ALA 52 HB2 ALA 52 5.270 -3.792 -2.189 412 HB3 ALA 52 HB3 ALA 52 6.894 -4.399 -1.935 413 H PHE 53 HN PHE 53 7.682 -0.637 -1.166 414 HA PHE 53 HA PHE 53 5.582 1.310 -0.803 415 HB2 PHE 53 HB2 PHE 53 8.514 1.669 -1.437 416 HB3 PHE 53 HB1 PHE 53 7.383 3.000 -1.202 417 HD1 PHE 53 HD2 PHE 53 6.251 3.134 1.221 418 HD2 PHE 53 HD1 PHE 53 9.681 0.807 0.296 419 HE1 PHE 53 HE2 PHE 53 6.879 3.079 3.596 420 HE2 PHE 53 HE1 PHE 53 10.335 0.780 2.618 421 HZ PHE 53 HZ PHE 53 8.920 1.904 4.303 422 H VAL 54 HN VAL 54 4.792 2.820 -2.661 423 HA VAL 54 HA VAL 54 5.669 2.136 -5.358 424 HB VAL 54 HB VAL 54 2.628 2.072 -4.893 425 HG11 VAL 54 HG11 VAL 54 2.205 1.526 -7.080 426 HG12 VAL 54 HG12 VAL 54 3.885 1.238 -7.436 427 HG13 VAL 54 HG13 VAL 54 3.323 2.879 -7.136 428 HG21 VAL 54 HG21 VAL 54 4.394 -0.295 -5.119 429 HG22 VAL 54 HG22 VAL 54 2.809 -0.307 -5.850 430 HG23 VAL 54 HG23 VAL 54 2.954 -0.036 -4.132 431 H GLU 55 HN GLU 55 6.369 4.469 -5.888 432 HA GLU 55 HA GLU 55 4.472 6.503 -5.166 433 HB2 GLU 55 HB2 GLU 55 7.241 6.348 -5.787 434 HB3 GLU 55 HB1 GLU 55 6.510 7.588 -6.800 435 HG2 GLU 55 HG2 GLU 55 7.489 8.415 -4.703 436 HG3 GLU 55 HG1 GLU 55 5.821 8.800 -4.903 437 H TYR 56 HN TYR 56 3.128 7.845 -6.547 438 HA TYR 56 HA TYR 56 2.749 6.859 -9.323 439 HB2 TYR 56 HB2 TYR 56 0.828 7.643 -7.346 440 HB3 TYR 56 HB1 TYR 56 0.745 8.842 -8.618 441 HD1 TYR 56 HD1 TYR 56 0.672 5.069 -8.209 442 HD2 TYR 56 HD2 TYR 56 -0.632 8.464 -10.442 443 HE1 TYR 56 HE1 TYR 56 -0.925 3.674 -9.347 444 HE2 TYR 56 HE2 TYR 56 -2.225 7.088 -11.582 445 HH TYR 56 HH TYR 56 -2.620 4.762 -12.152 446 H VAL 57 HN VAL 57 2.099 8.718 -11.142 447 HA VAL 57 HA VAL 57 3.831 11.038 -10.785 448 HB VAL 57 HB VAL 57 2.610 9.886 -13.287 449 HG11 VAL 57 HG11 VAL 57 1.682 11.947 -13.839 450 HG12 VAL 57 HG12 VAL 57 3.296 12.088 -14.503 451 HG13 VAL 57 HG13 VAL 57 2.913 12.861 -12.977 452 HG21 VAL 57 HG21 VAL 57 4.671 10.452 -14.313 453 HG22 VAL 57 HG22 VAL 57 5.013 9.657 -12.795 454 HG23 VAL 57 HG23 VAL 57 5.165 11.398 -12.943 455 H GLU 58 HN GLU 58 0.248 10.635 -11.043 456 HA GLU 58 HA GLU 58 0.160 13.538 -10.925 457 HB2 GLU 58 HB2 GLU 58 -2.080 13.387 -12.244 458 HB3 GLU 58 HB1 GLU 58 -0.618 13.312 -13.110 459 HG2 GLU 58 HG2 GLU 58 -2.368 10.958 -12.472 460 HG3 GLU 58 HG1 GLU 58 -2.310 11.824 -13.996 461 H VAL 59 HN VAL 59 -1.094 14.530 -9.167 462 HA VAL 59 HA VAL 59 -1.749 12.630 -7.191 463 HB VAL 59 HB VAL 59 -1.302 14.160 -5.768 464 HG11 VAL 59 HG11 VAL 59 -1.070 16.275 -7.839 465 HG12 VAL 59 HG12 VAL 59 0.179 15.119 -7.361 466 HG13 VAL 59 HG13 VAL 59 -0.409 16.300 -6.211 467 HG21 VAL 59 HG21 VAL 59 -3.385 16.145 -6.633 468 HG22 VAL 59 HG22 VAL 59 -2.431 16.206 -5.168 469 HG23 VAL 59 HG23 VAL 59 -3.587 14.912 -5.395 470 H ASP 60 HN ASP 60 -4.086 14.217 -9.367 471 HA ASP 60 HA ASP 60 -6.385 13.374 -7.847 472 HB2 ASP 60 HB2 ASP 60 -6.677 15.044 -9.614 473 HB3 ASP 60 HB1 ASP 60 -6.293 13.844 -10.852 474 H ASP 61 HN ASP 61 -5.066 11.818 -10.811 475 HA ASP 61 HA ASP 61 -6.561 9.539 -10.777 476 HB2 ASP 61 HB2 ASP 61 -3.735 9.757 -11.842 477 HB3 ASP 61 HB1 ASP 61 -4.829 8.423 -12.171 478 H ALA 62 HN ALA 62 -3.413 9.846 -9.049 479 HA ALA 62 HA ALA 62 -3.109 7.521 -7.761 480 HB1 ALA 62 HB1 ALA 62 -1.715 9.534 -7.343 481 HB2 ALA 62 HB2 ALA 62 -2.148 8.675 -5.899 482 HB3 ALA 62 HB3 ALA 62 -2.974 10.152 -6.300 483 H LYS 63 HN LYS 63 -5.055 10.075 -6.247 484 HA LYS 63 HA LYS 63 -6.133 8.510 -4.194 485 HB2 LYS 63 HB2 LYS 63 -7.194 11.151 -5.231 486 HB3 LYS 63 HB1 LYS 63 -7.898 10.270 -3.883 487 HG2 LYS 63 HG2 LYS 63 -5.928 10.456 -2.574 488 HG3 LYS 63 HG1 LYS 63 -4.977 11.020 -3.940 489 HD2 LYS 63 HD2 LYS 63 -6.127 13.143 -3.932 490 HD3 LYS 63 HD1 LYS 63 -7.277 12.566 -2.722 491 HE2 LYS 63 HE2 LYS 63 -4.307 12.802 -2.254 492 HE3 LYS 63 HE1 LYS 63 -5.476 14.044 -1.814 493 HZ1 LYS 63 HZ1 LYS 63 -6.526 12.494 -0.310 494 HZ2 LYS 63 HZ2 LYS 63 -4.876 12.602 0.048 495 HZ3 LYS 63 HZ3 LYS 63 -5.472 11.267 -0.789 496 H HIS 64 HN HIS 64 -7.608 8.692 -7.498 497 HA HIS 64 HA HIS 64 -9.787 7.150 -6.552 498 HB2 HIS 64 HB2 HIS 64 -9.163 8.095 -9.261 499 HB3 HIS 64 HB1 HIS 64 -10.107 6.622 -9.123 500 HD1 HIS 64 HD1 HIS 64 -11.868 7.170 -6.769 501 HD2 HIS 64 HD2 HIS 64 -11.005 10.033 -9.637 502 HE1 HIS 64 HE1 HIS 64 -13.671 8.899 -6.561 503 HE2 HIS 64 HE2 HIS 64 -13.240 10.498 -8.448 504 H ALA 65 HN ALA 65 -6.701 6.130 -8.187 505 HA ALA 65 HA ALA 65 -7.378 3.482 -8.620 506 HB1 ALA 65 HB1 ALA 65 -5.388 4.330 -9.587 507 HB2 ALA 65 HB2 ALA 65 -4.993 2.938 -8.594 508 HB3 ALA 65 HB3 ALA 65 -4.630 4.553 -8.011 509 H LEU 66 HN LEU 66 -5.776 4.649 -5.579 510 HA LEU 66 HA LEU 66 -5.719 2.157 -4.459 511 HB2 LEU 66 HB2 LEU 66 -4.586 2.972 -2.774 512 HB3 LEU 66 HB1 LEU 66 -4.745 4.507 -3.507 513 HG LEU 66 HG LEU 66 -6.767 4.832 -1.789 514 HD11 LEU 66 HD11 LEU 66 -6.545 3.648 0.249 515 HD12 LEU 66 HD12 LEU 66 -5.133 2.769 -0.321 516 HD13 LEU 66 HD13 LEU 66 -6.717 2.442 -1.013 517 HD21 LEU 66 HD21 LEU 66 -4.752 6.170 -1.622 518 HD22 LEU 66 HD22 LEU 66 -3.850 4.799 -0.996 519 HD23 LEU 66 HD23 LEU 66 -5.138 5.512 -0.041 520 H TYR 67 HN TYR 67 -8.659 4.216 -4.249 521 HA TYR 67 HA TYR 67 -9.925 2.214 -2.723 522 HB2 TYR 67 HB2 TYR 67 -10.706 4.741 -3.651 523 HB3 TYR 67 HB1 TYR 67 -11.861 3.599 -4.325 524 HD1 TYR 67 HD2 TYR 67 -13.014 1.960 -2.706 525 HD2 TYR 67 HD1 TYR 67 -10.862 5.406 -1.368 526 HE1 TYR 67 HE2 TYR 67 -14.106 1.807 -0.522 527 HE2 TYR 67 HE1 TYR 67 -11.963 5.239 0.814 528 HH TYR 67 HH TYR 67 -13.955 4.303 1.814 529 H ASN 68 HN ASN 68 -9.854 2.550 -6.337 530 HA ASN 68 HA ASN 68 -11.383 0.217 -6.734 531 HB2 ASN 68 HB2 ASN 68 -11.160 0.582 -8.959 532 HB3 ASN 68 HB1 ASN 68 -10.498 2.114 -8.450 533 HD21 ASN 68 HD21 ASN 68 -9.836 -0.971 -9.898 534 HD22 ASN 68 HD22 ASN 68 -8.235 -0.606 -10.430 535 H MET 69 HN MET 69 -8.055 0.366 -5.748 536 HA MET 69 HA MET 69 -7.333 -2.242 -6.671 537 HB2 MET 69 HB2 MET 69 -5.922 -0.222 -4.901 538 HB3 MET 69 HB1 MET 69 -5.213 -1.783 -5.296 539 HG2 MET 69 HG2 MET 69 -5.943 0.438 -7.210 540 HG3 MET 69 HG1 MET 69 -4.338 -0.117 -6.775 541 HE1 MET 69 HE1 MET 69 -5.419 0.322 -9.732 542 HE2 MET 69 HE2 MET 69 -4.806 -1.103 -10.572 543 HE3 MET 69 HE3 MET 69 -3.774 -0.236 -9.432 544 H ASN 70 HN ASN 70 -9.472 -1.575 -4.182 545 HA ASN 70 HA ASN 70 -8.523 -3.595 -2.313 546 HB2 ASN 70 HB2 ASN 70 -10.600 -3.257 -1.067 547 HB3 ASN 70 HB1 ASN 70 -9.876 -1.703 -1.397 548 HD21 ASN 70 HD21 ASN 70 -12.325 -1.761 -0.493 549 HD22 ASN 70 HD22 ASN 70 -13.479 -1.328 -1.704 550 H ASN 71 HN ASN 71 -10.970 -3.530 -5.006 551 HA ASN 71 HA ASN 71 -11.400 -6.393 -4.588 552 HB2 ASN 71 HB2 ASN 71 -13.164 -6.204 -6.265 553 HB3 ASN 71 HB1 ASN 71 -13.359 -5.016 -4.982 554 HD21 ASN 71 HD21 ASN 71 -13.250 -2.816 -5.492 555 HD22 ASN 71 HD22 ASN 71 -13.219 -2.254 -7.128 556 H PHE 72 HN PHE 72 -8.855 -5.189 -5.912 557 HA PHE 72 HA PHE 72 -9.018 -6.651 -8.450 558 HB2 PHE 72 HB2 PHE 72 -8.473 -4.405 -9.011 559 HB3 PHE 72 HB1 PHE 72 -7.278 -4.261 -7.754 560 HD1 PHE 72 HD1 PHE 72 -7.942 -6.320 -10.816 561 HD2 PHE 72 HD2 PHE 72 -5.093 -4.361 -8.353 562 HE1 PHE 72 HE1 PHE 72 -6.159 -6.918 -12.408 563 HE2 PHE 72 HE2 PHE 72 -3.317 -4.923 -9.924 564 HZ PHE 72 HZ PHE 72 -3.838 -6.217 -11.967 565 H GLU 73 HN GLU 73 -8.280 -8.755 -8.040 566 HA GLU 73 HA GLU 73 -6.197 -9.140 -6.084 567 HB2 GLU 73 HB2 GLU 73 -6.467 -11.506 -6.306 568 HB3 GLU 73 HB1 GLU 73 -8.071 -10.834 -6.288 569 HG2 GLU 73 HG2 GLU 73 -6.691 -11.484 -8.876 570 HG3 GLU 73 HG1 GLU 73 -7.481 -12.701 -7.936 571 H LEU 74 HN LEU 74 -4.008 -10.059 -6.593 572 HA LEU 74 HA LEU 74 -3.164 -9.433 -9.344 573 HB2 LEU 74 HB2 LEU 74 -2.140 -8.201 -7.023 574 HB3 LEU 74 HB1 LEU 74 -0.926 -9.442 -7.293 575 HG LEU 74 HG LEU 74 -1.252 -8.192 -9.807 576 HD11 LEU 74 HD11 LEU 74 -2.439 -6.379 -8.691 577 HD12 LEU 74 HD12 LEU 74 -0.879 -5.837 -9.312 578 HD13 LEU 74 HD13 LEU 74 -1.080 -6.159 -7.590 579 HD21 LEU 74 HD21 LEU 74 0.945 -7.448 -7.859 580 HD22 LEU 74 HD22 LEU 74 1.018 -7.524 -9.616 581 HD23 LEU 74 HD23 LEU 74 0.937 -9.011 -8.675 582 H ASN 75 HN ASN 75 -2.725 -11.490 -10.482 583 HA ASN 75 HA ASN 75 -1.874 -13.630 -10.825 584 HB2 ASN 75 HB2 ASN 75 0.234 -12.537 -8.854 585 HB3 ASN 75 HB1 ASN 75 0.368 -14.155 -9.534 586 HD21 ASN 75 HD21 ASN 75 2.557 -13.388 -10.405 587 HD22 ASN 75 HD22 ASN 75 2.563 -12.373 -11.807 588 H GLY 76 HN GLY 76 -4.087 -13.855 -9.262 589 HA2 GLY 76 HA2 GLY 76 -5.286 -15.048 -7.781 590 HA3 GLY 76 HA1 GLY 76 -3.993 -16.183 -7.866 591 H LYS 77 HN LYS 77 -3.448 -13.052 -6.492 592 HA LYS 77 HA LYS 77 -3.709 -14.052 -3.799 593 HB2 LYS 77 HB2 LYS 77 -1.356 -14.326 -4.169 594 HB3 LYS 77 HB1 LYS 77 -1.169 -12.723 -4.843 595 HG2 LYS 77 HG2 LYS 77 -1.525 -11.688 -2.747 596 HG3 LYS 77 HG1 LYS 77 -1.933 -13.217 -1.961 597 HD2 LYS 77 HD2 LYS 77 0.719 -12.540 -3.227 598 HD3 LYS 77 HD1 LYS 77 0.398 -12.416 -1.509 599 HE2 LYS 77 HE2 LYS 77 0.081 -14.915 -1.494 600 HE3 LYS 77 HE1 LYS 77 0.558 -14.924 -3.198 601 HZ1 LYS 77 HZ1 LYS 77 2.614 -13.719 -2.420 602 HZ2 LYS 77 HZ2 LYS 77 2.492 -15.354 -2.006 603 HZ3 LYS 77 HZ3 LYS 77 2.171 -14.164 -0.848 604 H ARG 78 HN ARG 78 -4.055 -12.310 -2.151 605 HA ARG 78 HA ARG 78 -5.509 -10.088 -3.393 606 HB2 ARG 78 HB2 ARG 78 -6.927 -11.369 -1.950 607 HB3 ARG 78 HB1 ARG 78 -5.718 -11.471 -0.693 608 HG2 ARG 78 HG2 ARG 78 -7.350 -10.089 0.201 609 HG3 ARG 78 HG1 ARG 78 -6.125 -8.950 -0.347 610 HD2 ARG 78 HD2 ARG 78 -8.295 -9.631 -2.256 611 HD3 ARG 78 HD1 ARG 78 -8.732 -8.653 -0.860 612 HE ARG 78 HE ARG 78 -6.811 -7.178 -1.616 613 HH11 ARG 78 HH11 ARG 78 -8.755 -9.046 -3.866 614 HH12 ARG 78 HH12 ARG 78 -8.480 -7.953 -5.176 615 HH21 ARG 78 HH22 ARG 78 -6.522 -5.732 -3.305 616 HH22 ARG 78 HH21 ARG 78 -7.212 -6.069 -4.860 617 H ILE 79 HN ILE 79 -4.897 -7.816 -2.942 618 HA ILE 79 HA ILE 79 -2.487 -7.462 -1.274 619 HB ILE 79 HB ILE 79 -2.444 -5.119 -2.439 620 HG12 ILE 79 HG12 ILE 79 -3.847 -6.566 -4.711 621 HG13 ILE 79 HG11 ILE 79 -4.643 -5.359 -3.703 622 HG21 ILE 79 HG21 ILE 79 -1.212 -6.038 -4.448 623 HG22 ILE 79 HG22 ILE 79 -1.563 -7.627 -3.791 624 HG23 ILE 79 HG23 ILE 79 -0.626 -6.471 -2.855 625 HD11 ILE 79 HD11 ILE 79 -3.829 -4.458 -5.854 626 HD12 ILE 79 HD12 ILE 79 -2.181 -4.873 -5.359 627 HD13 ILE 79 HD13 ILE 79 -3.102 -3.670 -4.452 628 H HIS 80 HN HIS 80 -2.636 -6.229 0.575 629 HA HIS 80 HA HIS 80 -5.252 -4.918 1.089 630 HB2 HIS 80 HB2 HIS 80 -2.911 -5.303 3.035 631 HB3 HIS 80 HB1 HIS 80 -4.493 -4.688 3.453 632 HD1 HIS 80 HD1 HIS 80 -2.884 -7.333 4.464 633 HD2 HIS 80 HD2 HIS 80 -6.291 -7.168 2.073 634 HE1 HIS 80 HE1 HIS 80 -4.038 -9.539 4.777 635 HE2 HIS 80 HE2 HIS 80 -6.074 -9.438 3.296 636 H VAL 81 HN VAL 81 -5.375 -2.692 0.486 637 HA VAL 81 HA VAL 81 -2.818 -1.321 0.040 638 HB VAL 81 HB VAL 81 -5.523 -0.770 -1.278 639 HG11 VAL 81 HG11 VAL 81 -4.416 1.199 -1.580 640 HG12 VAL 81 HG12 VAL 81 -4.050 0.312 -3.055 641 HG13 VAL 81 HG13 VAL 81 -2.856 0.433 -1.787 642 HG21 VAL 81 HG21 VAL 81 -3.727 -2.903 -1.943 643 HG22 VAL 81 HG22 VAL 81 -3.693 -1.731 -3.233 644 HG23 VAL 81 HG23 VAL 81 -5.215 -2.440 -2.739 645 H ASN 82 HN ASN 82 -2.295 0.568 1.426 646 HA ASN 82 HA ASN 82 -4.586 2.176 2.470 647 HB2 ASN 82 HB2 ASN 82 -3.140 2.522 4.574 648 HB3 ASN 82 HB1 ASN 82 -3.916 0.959 4.394 649 HD21 ASN 82 HD21 ASN 82 -2.605 -0.836 3.815 650 HD22 ASN 82 HD22 ASN 82 -0.905 -0.789 4.030 651 H TYR 83 HN TYR 83 -3.720 4.360 3.479 652 HA TYR 83 HA TYR 83 -2.199 5.793 1.485 653 HB2 TYR 83 HB2 TYR 83 -3.674 6.594 4.001 654 HB3 TYR 83 HB1 TYR 83 -2.584 7.734 3.233 655 HD1 TYR 83 HD2 TYR 83 -5.823 5.932 2.869 656 HD2 TYR 83 HD1 TYR 83 -3.247 8.895 1.205 657 HE1 TYR 83 HE2 TYR 83 -7.641 6.740 1.423 658 HE2 TYR 83 HE1 TYR 83 -5.021 9.704 -0.205 659 HH TYR 83 HH TYR 83 -8.296 8.700 0.199 660 H SER 84 HN SER 84 -0.140 7.388 2.480 661 HA SER 84 HA SER 84 1.264 6.257 4.701 662 HB2 SER 84 HB2 SER 84 1.507 4.409 3.004 663 HB3 SER 84 HB1 SER 84 2.441 5.508 1.988 664 HG SER 84 HG SER 84 3.660 4.083 3.437 665 H LYS 85 HN LYS 85 3.478 7.404 5.072 666 HA LYS 85 HA LYS 85 3.665 9.816 3.368 667 HB2 LYS 85 HB2 LYS 85 4.034 9.516 6.340 668 HB3 LYS 85 HB1 LYS 85 5.048 10.689 5.544 669 HG2 LYS 85 HG2 LYS 85 2.123 10.972 4.949 670 HG3 LYS 85 HG1 LYS 85 2.607 11.312 6.605 671 HD2 LYS 85 HD2 LYS 85 2.598 13.356 5.276 672 HD3 LYS 85 HD1 LYS 85 4.222 12.986 5.849 673 HE2 LYS 85 HE2 LYS 85 4.855 12.188 3.626 674 HE3 LYS 85 HE1 LYS 85 3.209 12.415 3.033 675 HZ1 LYS 85 HZ1 LYS 85 3.437 14.791 3.490 676 HZ2 LYS 85 HZ2 LYS 85 4.590 14.249 2.378 677 HZ3 LYS 85 HZ3 LYS 85 5.038 14.549 3.980 678 H THR 86 HN THR 86 5.682 10.196 2.193 679 HA THR 86 HA THR 86 8.036 8.635 3.039 680 HB THR 86 HB THR 86 9.140 9.705 1.027 681 HG1 THR 86 HG1 THR 86 7.512 11.515 1.100 682 HG21 THR 86 HG21 THR 86 8.306 7.572 0.487 683 HG22 THR 86 HG22 THR 86 7.633 8.623 -0.763 684 HG23 THR 86 HG23 THR 86 6.635 8.111 0.584
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