NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
607689 | 2n78 | 26649 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 HA MET 1 HA MET 1 -0.662 2.208 -4.904 2 HB2 MET 1 HB2 MET 1 -0.697 0.907 -2.685 3 HB3 MET 1 HB1 MET 1 0.658 1.902 -2.163 4 HG2 MET 1 HG2 MET 1 -0.605 3.864 -2.176 5 HG3 MET 1 HG1 MET 1 -1.797 3.212 -3.267 6 HE1 MET 1 HE1 MET 1 -1.661 3.222 1.235 7 HE2 MET 1 HE2 MET 1 -1.362 4.563 0.129 8 HE3 MET 1 HE3 MET 1 -0.262 3.184 0.160 9 H SER 2 HN SER 2 -0.058 4.061 -5.770 10 HA SER 2 HA SER 2 2.608 5.154 -5.353 11 HB2 SER 2 HB2 SER 2 0.818 5.378 -7.397 12 HB3 SER 2 HB1 SER 2 0.425 6.867 -6.517 13 HG SER 2 HG SER 2 2.184 7.239 -7.892 14 H LYS 3 HN LYS 3 2.628 7.663 -4.930 15 HA LYS 3 HA LYS 3 0.697 8.602 -2.969 16 HB2 LYS 3 HB2 LYS 3 2.447 6.898 -1.852 17 HB3 LYS 3 HB1 LYS 3 3.499 8.309 -1.872 18 HG2 LYS 3 HG2 LYS 3 1.503 9.570 -0.804 19 HG3 LYS 3 HG1 LYS 3 0.842 7.974 -0.471 20 HD2 LYS 3 HD2 LYS 3 3.659 8.751 0.321 21 HD3 LYS 3 HD1 LYS 3 2.281 9.006 1.386 22 HE2 LYS 3 HE2 LYS 3 1.759 6.483 0.873 23 HE3 LYS 3 HE1 LYS 3 3.451 6.414 0.398 24 HZ1 LYS 3 HZ1 LYS 3 4.138 6.590 2.499 25 HZ2 LYS 3 HZ2 LYS 3 2.566 6.082 2.896 26 HZ3 LYS 3 HZ3 LYS 3 2.955 7.736 2.916 27 H GLU 4 HN GLU 4 2.489 9.270 -5.429 28 HA GLU 4 HA GLU 4 4.113 11.502 -4.650 29 HB2 GLU 4 HB2 GLU 4 2.691 10.897 -7.292 30 HB3 GLU 4 HB1 GLU 4 3.960 12.101 -7.094 31 HG2 GLU 4 HG2 GLU 4 4.411 9.230 -6.270 32 HG3 GLU 4 HG1 GLU 4 4.653 9.738 -7.938 33 H ASP 5 HN ASP 5 3.277 13.160 -3.554 34 HA ASP 5 HA ASP 5 0.851 14.498 -4.690 35 HB2 ASP 5 HB2 ASP 5 -0.041 14.816 -2.452 36 HB3 ASP 5 HB1 ASP 5 0.428 13.119 -2.537 37 H SER 6 HN SER 6 1.020 16.373 -2.361 38 HA SER 6 HA SER 6 3.054 18.138 -3.592 39 HB2 SER 6 HB2 SER 6 1.046 19.365 -3.179 40 HB3 SER 6 HB1 SER 6 0.735 18.523 -1.649 41 HG SER 6 HG SER 6 1.765 20.750 -1.640 42 H PHE 7 HN PHE 7 4.694 19.170 -2.372 43 HA PHE 7 HA PHE 7 5.107 18.350 0.419 44 HB2 PHE 7 HB2 PHE 7 7.473 17.405 -0.252 45 HB3 PHE 7 HB1 PHE 7 6.078 16.359 -0.500 46 HD1 PHE 7 HD2 PHE 7 5.050 16.221 -2.802 47 HD2 PHE 7 HD1 PHE 7 8.783 18.154 -2.119 48 HE1 PHE 7 HE2 PHE 7 5.555 16.098 -5.203 49 HE2 PHE 7 HE1 PHE 7 9.284 18.022 -4.520 50 HZ PHE 7 HZ PHE 7 7.673 16.994 -6.060 51 H GLU 8 HN GLU 8 7.129 19.281 1.303 52 HA GLU 8 HA GLU 8 7.480 21.973 0.147 53 HB2 GLU 8 HB2 GLU 8 8.582 20.726 2.714 54 HB3 GLU 8 HB1 GLU 8 8.640 22.436 2.304 55 HG2 GLU 8 HG2 GLU 8 6.732 22.215 3.720 56 HG3 GLU 8 HG1 GLU 8 6.069 22.290 2.088 57 H MET 9 HN MET 9 9.540 22.900 -0.195 58 HA MET 9 HA MET 9 11.925 21.215 -0.242 59 HB2 MET 9 HB2 MET 9 10.393 20.820 -2.407 60 HB3 MET 9 HB1 MET 9 11.093 22.349 -2.924 61 HG2 MET 9 HG2 MET 9 13.341 21.457 -2.613 62 HG3 MET 9 HG1 MET 9 12.694 19.963 -1.990 63 HE1 MET 9 HE1 MET 9 14.548 19.335 -3.188 64 HE2 MET 9 HE2 MET 9 14.909 19.790 -4.853 65 HE3 MET 9 HE3 MET 9 14.146 18.238 -4.509 66 H GLU 10 HN GLU 10 13.646 22.492 0.065 67 HA GLU 10 HA GLU 10 13.272 25.374 0.201 68 HB2 GLU 10 HB2 GLU 10 15.825 23.698 0.372 69 HB3 GLU 10 HB1 GLU 10 15.660 25.370 0.900 70 HG2 GLU 10 HG2 GLU 10 14.457 24.794 2.784 71 HG3 GLU 10 HG1 GLU 10 13.694 23.414 2.002 72 H GLY 11 HN GLY 11 14.110 26.979 -1.103 73 HA2 GLY 11 HA2 GLY 11 15.819 26.263 -3.408 74 HA3 GLY 11 HA1 GLY 11 14.170 26.734 -3.840 75 H THR 12 HN THR 12 15.556 28.449 -4.938 76 HA THR 12 HA THR 12 15.832 30.756 -3.040 77 HB THR 12 HB THR 12 17.534 30.441 -5.575 78 HG1 THR 12 HG1 THR 12 17.771 29.328 -2.978 79 HG21 THR 12 HG21 THR 12 17.333 32.337 -3.392 80 HG22 THR 12 HG22 THR 12 18.552 32.321 -4.662 81 HG23 THR 12 HG23 THR 12 18.831 31.442 -3.163 82 H VAL 13 HN VAL 13 15.279 32.780 -3.874 83 HA VAL 13 HA VAL 13 13.423 32.586 -6.289 84 HB VAL 13 HB VAL 13 13.680 34.838 -4.206 85 HG11 VAL 13 HG11 VAL 13 11.486 34.133 -6.200 86 HG12 VAL 13 HG12 VAL 13 12.617 35.475 -6.341 87 HG13 VAL 13 HG13 VAL 13 11.433 35.453 -5.035 88 HG21 VAL 13 HG21 VAL 13 11.630 32.564 -4.329 89 HG22 VAL 13 HG22 VAL 13 11.768 33.787 -3.075 90 HG23 VAL 13 HG23 VAL 13 13.018 32.559 -3.248 91 H VAL 14 HN VAL 14 14.615 33.172 -8.172 92 HA VAL 14 HA VAL 14 15.682 35.917 -8.074 93 HB VAL 14 HB VAL 14 17.410 34.113 -9.606 94 HG11 VAL 14 HG11 VAL 14 18.114 35.786 -7.203 95 HG12 VAL 14 HG12 VAL 14 17.829 36.507 -8.784 96 HG13 VAL 14 HG13 VAL 14 19.149 35.363 -8.564 97 HG21 VAL 14 HG21 VAL 14 17.152 33.636 -6.644 98 HG22 VAL 14 HG22 VAL 14 18.439 32.996 -7.651 99 HG23 VAL 14 HG23 VAL 14 16.776 32.478 -7.905 100 H ASP 15 HN ASP 15 13.833 36.223 -9.181 101 HA ASP 15 HA ASP 15 14.043 36.710 -11.931 102 HB2 ASP 15 HB2 ASP 15 13.803 34.200 -12.125 103 HB3 ASP 15 HB1 ASP 15 12.278 34.348 -11.285 104 H THR 16 HN THR 16 12.227 37.826 -12.672 105 HA THR 16 HA THR 16 10.085 38.231 -10.605 106 HB THR 16 HB THR 16 11.374 40.313 -10.689 107 HG1 THR 16 HG1 THR 16 8.944 40.101 -11.515 108 HG21 THR 16 HG21 THR 16 12.538 40.946 -12.603 109 HG22 THR 16 HG22 THR 16 11.068 40.864 -13.569 110 HG23 THR 16 HG23 THR 16 12.040 39.416 -13.321 111 H LEU 17 HN LEU 17 8.545 36.927 -11.471 112 HA LEU 17 HA LEU 17 7.946 37.083 -14.326 113 HB2 LEU 17 HB2 LEU 17 6.912 35.492 -11.967 114 HB3 LEU 17 HB1 LEU 17 5.983 35.508 -13.446 115 HG LEU 17 HG LEU 17 8.668 35.044 -14.226 116 HD11 LEU 17 HD21 LEU 17 7.835 33.481 -11.789 117 HD12 LEU 17 HD22 LEU 17 9.301 34.429 -12.016 118 HD13 LEU 17 HD23 LEU 17 9.079 32.929 -12.907 119 HD21 LEU 17 HD11 LEU 17 6.679 34.136 -15.337 120 HD22 LEU 17 HD12 LEU 17 6.307 33.169 -13.914 121 HD23 LEU 17 HD13 LEU 17 7.745 32.817 -14.866 122 HA PRO 18 HA PRO 18 4.583 39.882 -13.649 123 HB2 PRO 18 HB2 PRO 18 2.914 39.218 -15.788 124 HB3 PRO 18 HB1 PRO 18 4.419 40.126 -15.969 125 HG2 PRO 18 HG2 PRO 18 3.832 37.352 -16.802 126 HG3 PRO 18 HG1 PRO 18 5.219 38.358 -17.233 127 HD2 PRO 18 HD1 PRO 18 5.085 36.232 -15.244 128 HD3 PRO 18 HD2 PRO 18 6.495 37.156 -15.770 129 H ASN 19 HN ASN 19 2.324 40.161 -13.221 130 HA ASN 19 HA ASN 19 0.204 39.523 -12.469 131 HB2 ASN 19 HB2 ASN 19 0.798 37.468 -14.202 132 HB3 ASN 19 HB1 ASN 19 0.743 36.582 -12.680 133 HD21 ASN 19 HD21 ASN 19 -1.311 36.498 -11.533 134 HD22 ASN 19 HD22 ASN 19 -2.765 36.964 -12.274 135 H THR 20 HN THR 20 2.773 39.628 -11.006 136 HA THR 20 HA THR 20 3.370 39.476 -8.754 137 HB THR 20 HB THR 20 0.893 37.818 -8.102 138 HG1 THR 20 HG1 THR 20 -0.299 39.284 -9.012 139 HG21 THR 20 HG21 THR 20 2.145 40.389 -6.968 140 HG22 THR 20 HG22 THR 20 2.371 38.788 -6.273 141 HG23 THR 20 HG23 THR 20 0.776 39.536 -6.261 142 H MET 21 HN MET 21 4.786 37.854 -10.188 143 HA MET 21 HA MET 21 4.835 35.366 -8.548 144 HB2 MET 21 HB2 MET 21 4.540 35.513 -11.576 145 HB3 MET 21 HB1 MET 21 5.249 34.102 -10.802 146 HG2 MET 21 HG2 MET 21 3.222 33.890 -9.393 147 HG3 MET 21 HG1 MET 21 2.520 35.260 -10.210 148 HE1 MET 21 HE1 MET 21 0.544 34.358 -10.451 149 HE2 MET 21 HE2 MET 21 0.563 32.621 -10.152 150 HE3 MET 21 HE3 MET 21 0.008 33.242 -11.705 151 H PHE 22 HN PHE 22 6.823 34.074 -9.002 152 HA PHE 22 HA PHE 22 9.036 35.660 -10.178 153 HB2 PHE 22 HB2 PHE 22 9.148 34.533 -7.323 154 HB3 PHE 22 HB1 PHE 22 10.340 35.573 -8.103 155 HD1 PHE 22 HD1 PHE 22 6.847 35.469 -6.831 156 HD2 PHE 22 HD2 PHE 22 10.051 37.958 -8.136 157 HE1 PHE 22 HE1 PHE 22 5.623 37.456 -6.071 158 HE2 PHE 22 HE2 PHE 22 8.816 39.938 -7.368 159 HZ PHE 22 HZ PHE 22 6.604 39.686 -6.338 160 H ARG 23 HN ARG 23 11.014 34.252 -10.370 161 HA ARG 23 HA ARG 23 10.100 31.423 -10.764 162 HB2 ARG 23 HB2 ARG 23 11.450 32.811 -12.590 163 HB3 ARG 23 HB1 ARG 23 12.840 32.375 -11.597 164 HG2 ARG 23 HG2 ARG 23 12.525 30.069 -11.907 165 HG3 ARG 23 HG1 ARG 23 10.886 30.277 -12.492 166 HD2 ARG 23 HD2 ARG 23 13.109 29.996 -14.110 167 HD3 ARG 23 HD1 ARG 23 11.583 30.713 -14.626 168 HE ARG 23 HE ARG 23 12.751 32.903 -13.646 169 HH11 ARG 23 HH11 ARG 23 13.170 31.382 -16.451 170 HH12 ARG 23 HH12 ARG 23 14.822 31.820 -16.730 171 HH21 ARG 23 HH21 ARG 23 15.271 33.015 -13.466 172 HH22 ARG 23 HH22 ARG 23 16.043 32.767 -14.998 173 H VAL 24 HN VAL 24 10.733 29.864 -9.485 174 HA VAL 24 HA VAL 24 12.812 30.578 -7.459 175 HB VAL 24 HB VAL 24 10.404 28.713 -7.516 176 HG11 VAL 24 HG21 VAL 24 12.881 28.515 -5.820 177 HG12 VAL 24 HG22 VAL 24 12.062 27.236 -6.708 178 HG13 VAL 24 HG23 VAL 24 11.329 27.915 -5.267 179 HG21 VAL 24 HG11 VAL 24 9.916 30.833 -6.573 180 HG22 VAL 24 HG12 VAL 24 11.471 30.919 -5.757 181 HG23 VAL 24 HG13 VAL 24 10.233 29.814 -5.174 182 H GLU 25 HN GLU 25 14.664 29.577 -7.642 183 HA GLU 25 HA GLU 25 14.876 27.425 -9.692 184 HB2 GLU 25 HB2 GLU 25 16.923 29.125 -8.157 185 HB3 GLU 25 HB1 GLU 25 17.384 27.828 -9.255 186 HG2 GLU 25 HG2 GLU 25 16.059 28.957 -11.065 187 HG3 GLU 25 HG1 GLU 25 15.761 30.296 -9.960 188 H LEU 26 HN LEU 26 15.201 25.534 -9.287 189 HA LEU 26 HA LEU 26 16.071 24.521 -6.646 190 HB2 LEU 26 HB2 LEU 26 13.921 23.392 -8.549 191 HB3 LEU 26 HB1 LEU 26 14.516 22.555 -7.129 192 HG LEU 26 HG LEU 26 13.224 25.296 -7.106 193 HD11 LEU 26 HD21 LEU 26 11.221 24.248 -6.399 194 HD12 LEU 26 HD22 LEU 26 12.041 22.735 -6.026 195 HD13 LEU 26 HD23 LEU 26 11.787 23.206 -7.703 196 HD21 LEU 26 HD11 LEU 26 14.610 25.143 -5.197 197 HD22 LEU 26 HD12 LEU 26 14.316 23.422 -5.002 198 HD23 LEU 26 HD13 LEU 26 13.056 24.584 -4.597 199 H GLU 27 HN GLU 27 17.520 25.390 -8.859 200 HA GLU 27 HA GLU 27 18.243 23.872 -10.960 201 HB2 GLU 27 HB2 GLU 27 19.393 25.921 -9.498 202 HB3 GLU 27 HB1 GLU 27 20.577 24.634 -9.306 203 HG2 GLU 27 HG2 GLU 27 21.061 25.957 -11.318 204 HG3 GLU 27 HG1 GLU 27 20.608 24.319 -11.760 205 H ASN 28 HN ASN 28 18.138 22.671 -7.874 206 HA ASN 28 HA ASN 28 20.350 20.837 -8.107 207 HB2 ASN 28 HB2 ASN 28 17.830 21.057 -6.403 208 HB3 ASN 28 HB1 ASN 28 18.720 19.535 -6.405 209 HD21 ASN 28 HD21 ASN 28 21.006 19.613 -5.678 210 HD22 ASN 28 HD22 ASN 28 21.526 20.864 -4.656 211 H GLY 29 HN GLY 29 18.465 21.337 -10.316 212 HA2 GLY 29 HA2 GLY 29 18.224 19.674 -12.105 213 HA3 GLY 29 HA1 GLY 29 17.556 18.590 -10.890 214 H HIS 30 HN HIS 30 16.206 21.395 -9.881 215 HA HIS 30 HA HIS 30 13.929 21.223 -11.845 216 HB2 HIS 30 HB2 HIS 30 13.980 20.992 -8.867 217 HB3 HIS 30 HB1 HIS 30 12.645 21.920 -9.549 218 HD1 HIS 30 HD1 HIS 30 14.215 18.864 -10.907 219 HD2 HIS 30 HD2 HIS 30 10.583 20.111 -9.616 220 HE1 HIS 30 HE1 HIS 30 12.730 17.013 -11.380 221 H VAL 31 HN VAL 31 12.663 23.025 -12.191 222 HA VAL 31 HA VAL 31 13.665 25.695 -11.157 223 HB VAL 31 HB VAL 31 14.218 24.912 -13.696 224 HG11 VAL 31 HG21 VAL 31 11.387 25.966 -13.998 225 HG12 VAL 31 HG22 VAL 31 11.820 24.265 -14.130 226 HG13 VAL 31 HG23 VAL 31 12.458 25.427 -15.288 227 HG21 VAL 31 HG11 VAL 31 14.085 27.256 -14.404 228 HG22 VAL 31 HG12 VAL 31 14.580 27.187 -12.716 229 HG23 VAL 31 HG13 VAL 31 12.920 27.600 -13.128 230 H VAL 32 HN VAL 32 11.838 27.087 -10.582 231 HA VAL 32 HA VAL 32 9.165 26.180 -11.476 232 HB VAL 32 HB VAL 32 9.596 26.719 -8.599 233 HG11 VAL 32 HG21 VAL 32 7.330 26.554 -9.152 234 HG12 VAL 32 HG22 VAL 32 7.733 24.960 -8.536 235 HG13 VAL 32 HG23 VAL 32 7.627 25.228 -10.265 236 HG21 VAL 32 HG11 VAL 32 11.263 24.992 -9.200 237 HG22 VAL 32 HG12 VAL 32 9.975 24.042 -9.931 238 HG23 VAL 32 HG13 VAL 32 9.978 24.326 -8.199 239 H THR 33 HN THR 33 7.459 27.530 -10.488 240 HA THR 33 HA THR 33 8.289 30.373 -10.353 241 HB THR 33 HB THR 33 6.093 29.032 -11.956 242 HG1 THR 33 HG1 THR 33 7.069 30.764 -13.358 243 HG21 THR 33 HG21 THR 33 5.441 31.521 -12.445 244 HG22 THR 33 HG22 THR 33 6.297 31.914 -10.957 245 HG23 THR 33 HG23 THR 33 4.875 30.874 -10.907 246 H ALA 34 HN ALA 34 7.922 30.956 -8.302 247 HA ALA 34 HA ALA 34 5.446 29.851 -7.016 248 HB1 ALA 34 HB1 ALA 34 7.732 31.112 -5.487 249 HB2 ALA 34 HB2 ALA 34 7.890 29.457 -6.069 250 HB3 ALA 34 HB3 ALA 34 6.595 29.879 -4.955 251 H HIS 35 HN HIS 35 4.869 31.365 -5.079 252 HA HIS 35 HA HIS 35 5.104 34.216 -5.784 253 HB2 HIS 35 HB2 HIS 35 3.186 33.582 -7.184 254 HB3 HIS 35 HB1 HIS 35 2.461 32.655 -5.870 255 HD1 HIS 35 HD1 HIS 35 0.471 34.109 -5.508 256 HD2 HIS 35 HD2 HIS 35 3.853 36.335 -5.439 257 HE1 HIS 35 HE1 HIS 35 -0.252 36.300 -4.771 258 H ILE 36 HN ILE 36 4.487 35.563 -4.044 259 HA ILE 36 HA ILE 36 4.229 34.093 -1.453 260 HB ILE 36 HB ILE 36 6.183 35.669 -1.822 261 HG12 ILE 36 HG12 ILE 36 4.312 36.771 0.286 262 HG13 ILE 36 HG11 ILE 36 5.047 35.179 0.443 263 HG21 ILE 36 HG21 ILE 36 4.079 37.869 -1.610 264 HG22 ILE 36 HG22 ILE 36 4.635 37.287 -3.177 265 HG23 ILE 36 HG23 ILE 36 5.773 38.036 -2.062 266 HD11 ILE 36 HD11 ILE 36 6.576 36.621 1.542 267 HD12 ILE 36 HD12 ILE 36 6.416 37.870 0.313 268 HD13 ILE 36 HD13 ILE 36 7.291 36.385 -0.050 269 H SER 37 HN SER 37 2.676 34.683 0.047 270 HA SER 37 HA SER 37 0.131 35.400 -0.881 271 HB2 SER 37 HB2 SER 37 1.462 35.535 1.854 272 HB3 SER 37 HB1 SER 37 -0.208 36.098 1.649 273 HG SER 37 HG SER 37 -0.627 34.082 0.591 274 H GLY 38 HN GLY 38 -1.127 37.334 -0.537 275 HA2 GLY 38 HA2 GLY 38 0.386 39.729 -1.270 276 HA3 GLY 38 HA1 GLY 38 -1.367 39.619 -1.124 277 H LYS 39 HN LYS 39 -1.525 38.637 1.498 278 HA LYS 39 HA LYS 39 -1.572 40.974 3.032 279 HB2 LYS 39 HB2 LYS 39 -1.096 38.092 3.941 280 HB3 LYS 39 HB1 LYS 39 -1.553 39.405 5.020 281 HG2 LYS 39 HG2 LYS 39 -3.533 39.760 3.340 282 HG3 LYS 39 HG1 LYS 39 -3.170 38.115 2.829 283 HD2 LYS 39 HD2 LYS 39 -3.260 37.493 5.325 284 HD3 LYS 39 HD1 LYS 39 -3.996 39.071 5.579 285 HE2 LYS 39 HE2 LYS 39 -5.901 37.789 5.233 286 HE3 LYS 39 HE1 LYS 39 -5.565 38.286 3.579 287 HZ1 LYS 39 HZ1 LYS 39 -4.565 35.762 4.764 288 HZ2 LYS 39 HZ2 LYS 39 -4.524 36.224 3.130 289 HZ3 LYS 39 HZ3 LYS 39 -6.008 35.877 3.877 290 H MET 40 HN MET 40 0.970 38.478 3.052 291 HA MET 40 HA MET 40 2.700 39.820 4.861 292 HB2 MET 40 HB2 MET 40 3.293 37.920 2.542 293 HB3 MET 40 HB1 MET 40 4.495 38.397 3.737 294 HG2 MET 40 HG2 MET 40 3.457 36.251 4.327 295 HG3 MET 40 HG1 MET 40 3.147 37.473 5.530 296 HE1 MET 40 HE1 MET 40 1.402 35.322 6.339 297 HE2 MET 40 HE2 MET 40 2.045 34.595 4.865 298 HE3 MET 40 HE3 MET 40 0.303 34.646 5.138 299 H ARG 41 HN ARG 41 2.598 39.901 1.317 300 HA ARG 41 HA ARG 41 4.811 41.545 0.848 301 HB2 ARG 41 HB2 ARG 41 2.878 40.441 -0.716 302 HB3 ARG 41 HB1 ARG 41 2.310 42.106 -0.704 303 HG2 ARG 41 HG2 ARG 41 4.649 42.818 -1.340 304 HG3 ARG 41 HG1 ARG 41 5.049 41.116 -1.541 305 HD2 ARG 41 HD2 ARG 41 4.224 42.530 -3.625 306 HD3 ARG 41 HD1 ARG 41 3.662 40.874 -3.414 307 HE ARG 41 HE ARG 41 1.512 41.729 -2.732 308 HH11 ARG 41 HH21 ARG 41 1.874 43.423 -5.095 309 HH12 ARG 41 HH22 ARG 41 1.621 45.025 -4.486 310 HH21 ARG 41 HH11 ARG 41 2.062 44.043 -1.150 311 HH22 ARG 41 HH12 ARG 41 1.730 45.386 -2.193 312 H LYS 42 HN LYS 42 1.467 42.530 1.495 313 HA LYS 42 HA LYS 42 2.196 45.341 1.513 314 HB2 LYS 42 HB2 LYS 42 -0.342 43.875 2.381 315 HB3 LYS 42 HB1 LYS 42 -0.200 45.626 2.271 316 HG2 LYS 42 HG2 LYS 42 0.169 45.532 -0.105 317 HG3 LYS 42 HG1 LYS 42 0.372 43.784 -0.066 318 HD2 LYS 42 HD2 LYS 42 -1.971 43.495 0.600 319 HD3 LYS 42 HD1 LYS 42 -2.188 45.240 0.677 320 HE2 LYS 42 HE2 LYS 42 -1.070 44.577 -1.885 321 HE3 LYS 42 HE1 LYS 42 -2.462 43.540 -1.600 322 HZ1 LYS 42 HZ1 LYS 42 -3.110 45.600 -2.651 323 HZ2 LYS 42 HZ2 LYS 42 -2.430 46.498 -1.381 324 HZ3 LYS 42 HZ3 LYS 42 -3.774 45.501 -1.092 325 H ASN 43 HN ASN 43 2.241 42.800 3.786 326 HA ASN 43 HA ASN 43 2.128 44.685 6.081 327 HB2 ASN 43 HB2 ASN 43 0.927 42.408 6.081 328 HB3 ASN 43 HB1 ASN 43 2.519 41.656 6.138 329 HD21 ASN 43 HD21 ASN 43 1.556 40.867 8.322 330 HD22 ASN 43 HD22 ASN 43 1.787 41.872 9.669 331 H TYR 44 HN TYR 44 4.423 43.666 3.980 332 HA TYR 44 HA TYR 44 6.548 44.420 5.821 333 HB2 TYR 44 HB2 TYR 44 6.255 41.583 4.749 334 HB3 TYR 44 HB1 TYR 44 7.814 42.215 5.270 335 HD1 TYR 44 HD1 TYR 44 7.945 43.193 7.665 336 HD2 TYR 44 HD2 TYR 44 4.733 40.735 6.346 337 HE1 TYR 44 HE1 TYR 44 7.359 42.709 9.997 338 HE2 TYR 44 HE2 TYR 44 4.147 40.251 8.676 339 HH TYR 44 HH TYR 44 4.592 40.631 10.805 340 H ILE 45 HN ILE 45 8.595 44.694 4.762 341 HA ILE 45 HA ILE 45 8.287 45.668 2.064 342 HB ILE 45 HB ILE 45 10.748 45.221 3.812 343 HG12 ILE 45 HG12 ILE 45 8.853 46.895 4.470 344 HG13 ILE 45 HG11 ILE 45 10.522 47.449 4.508 345 HG21 ILE 45 HG21 ILE 45 10.344 46.703 1.163 346 HG22 ILE 45 HG22 ILE 45 11.431 45.353 1.461 347 HG23 ILE 45 HG23 ILE 45 11.764 46.924 2.180 348 HD11 ILE 45 HD11 ILE 45 10.290 48.544 2.365 349 HD12 ILE 45 HD12 ILE 45 8.913 49.033 3.348 350 HD13 ILE 45 HD13 ILE 45 8.712 47.810 2.099 351 H ARG 46 HN ARG 46 8.981 44.789 0.162 352 HA ARG 46 HA ARG 46 9.364 41.902 0.140 353 HB2 ARG 46 HB2 ARG 46 9.884 42.658 -2.432 354 HB3 ARG 46 HB1 ARG 46 8.245 42.526 -1.804 355 HG2 ARG 46 HG2 ARG 46 8.136 44.890 -1.357 356 HG3 ARG 46 HG1 ARG 46 9.861 45.087 -1.652 357 HD2 ARG 46 HD2 ARG 46 9.604 44.651 -3.998 358 HD3 ARG 46 HD1 ARG 46 7.957 44.062 -3.777 359 HE ARG 46 HE ARG 46 8.148 46.781 -2.868 360 HH11 ARG 46 HH11 ARG 46 8.917 45.198 -5.750 361 HH12 ARG 46 HH12 ARG 46 7.927 46.192 -6.766 362 HH21 ARG 46 HH21 ARG 46 6.513 47.902 -4.052 363 HH22 ARG 46 HH22 ARG 46 6.529 47.764 -5.778 364 H ILE 47 HN ILE 47 11.237 40.958 0.509 365 HA ILE 47 HA ILE 47 13.743 42.340 0.579 366 HB ILE 47 HB ILE 47 13.267 39.352 0.212 367 HG12 ILE 47 HG12 ILE 47 12.008 40.572 2.132 368 HG13 ILE 47 HG11 ILE 47 12.951 39.142 2.532 369 HG21 ILE 47 HG21 ILE 47 15.438 39.308 1.601 370 HG22 ILE 47 HG22 ILE 47 15.541 41.049 1.356 371 HG23 ILE 47 HG23 ILE 47 15.625 39.958 -0.023 372 HD11 ILE 47 HD11 ILE 47 14.787 40.482 3.344 373 HD12 ILE 47 HD12 ILE 47 13.322 41.133 4.073 374 HD13 ILE 47 HD13 ILE 47 14.067 41.957 2.710 375 H LEU 48 HN LEU 48 15.508 42.253 -0.819 376 HA LEU 48 HA LEU 48 14.928 42.483 -3.573 377 HB2 LEU 48 HB2 LEU 48 17.571 41.726 -2.223 378 HB3 LEU 48 HB1 LEU 48 17.417 42.314 -3.875 379 HG LEU 48 HG LEU 48 16.050 44.043 -1.938 380 HD11 LEU 48 HD11 LEU 48 18.027 44.903 -0.837 381 HD12 LEU 48 HD12 LEU 48 19.076 43.854 -1.786 382 HD13 LEU 48 HD13 LEU 48 18.002 43.162 -0.576 383 HD21 LEU 48 HD21 LEU 48 17.429 45.750 -3.171 384 HD22 LEU 48 HD22 LEU 48 16.489 44.719 -4.246 385 HD23 LEU 48 HD23 LEU 48 18.213 44.432 -4.037 386 H THR 49 HN THR 49 16.150 41.121 -5.237 387 HA THR 49 HA THR 49 14.910 38.536 -5.393 388 HB THR 49 HB THR 49 15.740 39.857 -7.392 389 HG1 THR 49 HG1 THR 49 16.843 37.320 -6.782 390 HG21 THR 49 HG21 THR 49 18.183 39.837 -7.883 391 HG22 THR 49 HG22 THR 49 18.503 38.945 -6.400 392 HG23 THR 49 HG23 THR 49 17.951 40.617 -6.322 393 H GLY 50 HN GLY 50 15.679 36.623 -5.377 394 HA2 GLY 50 HA2 GLY 50 16.970 34.761 -4.809 395 HA3 GLY 50 HA1 GLY 50 18.301 35.836 -4.427 396 H ASP 51 HN ASP 51 15.229 34.669 -3.372 397 HA ASP 51 HA ASP 51 15.968 35.285 -0.560 398 HB2 ASP 51 HB2 ASP 51 13.328 34.922 -2.035 399 HB3 ASP 51 HB1 ASP 51 13.401 34.711 -0.289 400 H LYS 52 HN LYS 52 16.736 33.472 0.513 401 HA LYS 52 HA LYS 52 16.227 30.914 -0.833 402 HB2 LYS 52 HB2 LYS 52 17.654 31.823 1.718 403 HB3 LYS 52 HB1 LYS 52 17.220 30.122 1.572 404 HG2 LYS 52 HG2 LYS 52 18.383 30.089 -0.664 405 HG3 LYS 52 HG1 LYS 52 18.930 31.732 -0.352 406 HD2 LYS 52 HD2 LYS 52 20.557 31.019 1.057 407 HD3 LYS 52 HD1 LYS 52 19.447 29.957 1.915 408 HE2 LYS 52 HE2 LYS 52 19.710 28.223 0.244 409 HE3 LYS 52 HE1 LYS 52 20.629 29.300 -0.799 410 HZ1 LYS 52 HZ1 LYS 52 22.477 29.113 0.466 411 HZ2 LYS 52 HZ2 LYS 52 21.792 27.595 0.799 412 HZ3 LYS 52 HZ3 LYS 52 21.622 28.867 1.912 413 H VAL 53 HN VAL 53 14.230 30.015 -0.663 414 HA VAL 53 HA VAL 53 12.857 30.255 1.991 415 HB VAL 53 HB VAL 53 10.723 30.705 0.786 416 HG11 VAL 53 HG21 VAL 53 11.269 32.899 0.893 417 HG12 VAL 53 HG22 VAL 53 12.185 32.766 -0.599 418 HG13 VAL 53 HG23 VAL 53 12.963 32.465 0.936 419 HG21 VAL 53 HG11 VAL 53 11.184 31.290 -1.768 420 HG22 VAL 53 HG12 VAL 53 10.895 29.626 -1.280 421 HG23 VAL 53 HG13 VAL 53 12.539 30.189 -1.554 422 H ARG 54 HN ARG 54 10.620 29.039 1.836 423 HA ARG 54 HA ARG 54 11.441 26.254 1.046 424 HB2 ARG 54 HB2 ARG 54 10.477 27.103 3.420 425 HB3 ARG 54 HB1 ARG 54 8.936 26.855 2.623 426 HG2 ARG 54 HG2 ARG 54 9.216 24.553 2.512 427 HG3 ARG 54 HG1 ARG 54 10.964 24.662 2.377 428 HD2 ARG 54 HD2 ARG 54 10.856 25.544 4.846 429 HD3 ARG 54 HD1 ARG 54 9.263 24.795 4.859 430 HE ARG 54 HE ARG 54 11.844 23.381 4.690 431 HH11 ARG 54 HH11 ARG 54 8.418 23.406 4.488 432 HH12 ARG 54 HH12 ARG 54 8.251 21.689 4.613 433 HH21 ARG 54 HH21 ARG 54 11.710 21.162 4.792 434 HH22 ARG 54 HH22 ARG 54 10.164 20.384 4.786 435 H VAL 55 HN VAL 55 10.637 25.505 -0.757 436 HA VAL 55 HA VAL 55 8.256 26.799 -1.911 437 HB VAL 55 HB VAL 55 9.926 24.745 -3.357 438 HG11 VAL 55 HG11 VAL 55 8.101 25.577 -4.627 439 HG12 VAL 55 HG12 VAL 55 9.484 26.502 -5.205 440 HG13 VAL 55 HG13 VAL 55 8.353 27.227 -4.066 441 HG21 VAL 55 HG21 VAL 55 11.465 26.427 -2.147 442 HG22 VAL 55 HG22 VAL 55 10.759 27.652 -3.186 443 HG23 VAL 55 HG23 VAL 55 11.654 26.307 -3.882 444 H GLU 56 HN GLU 56 6.456 25.721 -2.450 445 HA GLU 56 HA GLU 56 6.293 22.857 -1.622 446 HB2 GLU 56 HB2 GLU 56 4.931 24.914 -0.449 447 HB3 GLU 56 HB1 GLU 56 3.835 24.582 -1.786 448 HG2 GLU 56 HG2 GLU 56 3.794 22.177 -1.125 449 HG3 GLU 56 HG1 GLU 56 4.827 22.559 0.250 450 H LEU 57 HN LEU 57 6.165 21.639 -3.372 451 HA LEU 57 HA LEU 57 5.024 22.825 -5.838 452 HB2 LEU 57 HB2 LEU 57 6.205 20.020 -5.527 453 HB3 LEU 57 HB1 LEU 57 6.088 20.988 -6.989 454 HG LEU 57 HG LEU 57 7.641 22.249 -4.807 455 HD11 LEU 57 HD11 LEU 57 9.653 20.794 -5.583 456 HD12 LEU 57 HD12 LEU 57 8.429 19.639 -6.099 457 HD13 LEU 57 HD13 LEU 57 8.544 20.100 -4.404 458 HD21 LEU 57 HD21 LEU 57 7.538 23.303 -6.973 459 HD22 LEU 57 HD22 LEU 57 7.965 21.801 -7.787 460 HD23 LEU 57 HD23 LEU 57 9.160 22.639 -6.804 461 H THR 58 HN THR 58 3.367 21.797 -7.012 462 HA THR 58 HA THR 58 1.679 20.005 -5.292 463 HB THR 58 HB THR 58 -0.283 21.133 -6.236 464 HG1 THR 58 HG1 THR 58 0.874 22.913 -7.795 465 HG21 THR 58 HG21 THR 58 0.095 23.200 -5.186 466 HG22 THR 58 HG22 THR 58 1.455 23.563 -6.244 467 HG23 THR 58 HG23 THR 58 1.696 22.569 -4.809 468 HA PRO 59 HA PRO 59 1.732 16.940 -8.424 469 HB2 PRO 59 HB2 PRO 59 -0.967 16.053 -8.069 470 HB3 PRO 59 HB1 PRO 59 0.463 15.393 -7.274 471 HG2 PRO 59 HG2 PRO 59 -1.641 17.110 -6.139 472 HG3 PRO 59 HG1 PRO 59 -0.383 16.207 -5.294 473 HD2 PRO 59 HD1 PRO 59 -0.462 19.023 -5.699 474 HD3 PRO 59 HD2 PRO 59 0.900 18.077 -5.073 475 H TYR 60 HN TYR 60 -0.963 19.221 -8.343 476 HA TYR 60 HA TYR 60 -1.931 18.477 -10.988 477 HB2 TYR 60 HB2 TYR 60 -3.547 20.149 -10.644 478 HB3 TYR 60 HB1 TYR 60 -3.079 19.857 -8.973 479 HD1 TYR 60 HD1 TYR 60 -2.696 22.145 -11.844 480 HD2 TYR 60 HD2 TYR 60 -1.793 21.497 -7.746 481 HE1 TYR 60 HE1 TYR 60 -1.985 24.480 -11.632 482 HE2 TYR 60 HE2 TYR 60 -1.074 23.829 -7.529 483 HH TYR 60 HH TYR 60 -1.561 26.026 -8.728 484 H ASP 61 HN ASP 61 0.833 19.941 -9.992 485 HA ASP 61 HA ASP 61 1.900 20.487 -12.487 486 HB2 ASP 61 HB2 ASP 61 -0.017 22.570 -11.604 487 HB3 ASP 61 HB1 ASP 61 1.550 23.221 -12.047 488 H LEU 62 HN LEU 62 3.647 19.758 -11.229 489 HA LEU 62 HA LEU 62 4.573 21.125 -8.900 490 HB2 LEU 62 HB2 LEU 62 6.063 19.428 -10.957 491 HB3 LEU 62 HB1 LEU 62 6.736 19.914 -9.404 492 HG LEU 62 HG LEU 62 4.074 18.485 -9.579 493 HD11 LEU 62 HD11 LEU 62 5.198 16.379 -9.309 494 HD12 LEU 62 HD12 LEU 62 6.764 17.170 -9.168 495 HD13 LEU 62 HD13 LEU 62 5.915 17.168 -10.709 496 HD21 LEU 62 HD21 LEU 62 6.186 18.853 -7.434 497 HD22 LEU 62 HD22 LEU 62 4.804 17.778 -7.264 498 HD23 LEU 62 HD23 LEU 62 4.552 19.508 -7.436 499 H SER 63 HN SER 63 4.969 21.722 -12.313 500 HA SER 63 HA SER 63 7.256 23.417 -12.222 501 HB2 SER 63 HB2 SER 63 6.044 22.662 -14.349 502 HB3 SER 63 HB1 SER 63 4.740 23.799 -13.957 503 HG SER 63 HG SER 63 6.260 24.854 -15.235 504 H LYS 64 HN LYS 64 4.453 23.624 -10.573 505 HA LYS 64 HA LYS 64 4.839 26.537 -10.090 506 HB2 LYS 64 HB2 LYS 64 2.165 25.043 -10.284 507 HB3 LYS 64 HB1 LYS 64 2.358 26.754 -9.922 508 HG2 LYS 64 HG2 LYS 64 3.252 27.204 -12.109 509 HG3 LYS 64 HG1 LYS 64 3.415 25.488 -12.464 510 HD2 LYS 64 HD2 LYS 64 1.151 25.216 -12.857 511 HD3 LYS 64 HD1 LYS 64 0.698 26.490 -11.731 512 HE2 LYS 64 HE2 LYS 64 0.459 26.933 -14.301 513 HE3 LYS 64 HE1 LYS 64 1.139 28.195 -13.284 514 HZ1 LYS 64 HZ1 LYS 64 2.470 26.443 -15.212 515 HZ2 LYS 64 HZ2 LYS 64 3.353 26.967 -13.858 516 HZ3 LYS 64 HZ3 LYS 64 2.683 28.104 -14.928 517 H GLY 65 HN GLY 65 4.596 27.157 -8.019 518 HA2 GLY 65 HA2 GLY 65 3.556 25.394 -5.949 519 HA3 GLY 65 HA1 GLY 65 5.317 25.530 -5.918 520 H ARG 66 HN ARG 66 4.605 26.501 -3.759 521 HA ARG 66 HA ARG 66 4.403 29.463 -4.205 522 HB2 ARG 66 HB2 ARG 66 2.951 29.537 -2.108 523 HB3 ARG 66 HB1 ARG 66 2.178 28.717 -3.460 524 HG2 ARG 66 HG2 ARG 66 2.823 26.539 -2.550 525 HG3 ARG 66 HG1 ARG 66 3.696 27.321 -1.236 526 HD2 ARG 66 HD2 ARG 66 1.615 28.302 -0.393 527 HD3 ARG 66 HD1 ARG 66 0.718 27.627 -1.754 528 HE ARG 66 HE ARG 66 1.996 25.453 -0.502 529 HH11 ARG 66 HH11 ARG 66 0.453 28.045 0.979 530 HH12 ARG 66 HH12 ARG 66 -0.723 27.098 1.828 531 HH21 ARG 66 HH21 ARG 66 0.217 24.130 0.218 532 HH22 ARG 66 HH22 ARG 66 -0.862 24.823 1.381 533 H ILE 67 HN ILE 67 5.077 30.703 -2.252 534 HA ILE 67 HA ILE 67 7.441 29.327 -1.018 535 HB ILE 67 HB ILE 67 6.698 32.214 -1.558 536 HG12 ILE 67 HG12 ILE 67 9.176 30.633 -2.273 537 HG13 ILE 67 HG11 ILE 67 7.771 30.745 -3.319 538 HG21 ILE 67 HG21 ILE 67 8.527 31.033 0.485 539 HG22 ILE 67 HG22 ILE 67 7.806 32.639 0.438 540 HG23 ILE 67 HG23 ILE 67 9.253 32.296 -0.505 541 HD11 ILE 67 HD11 ILE 67 9.816 32.798 -2.689 542 HD12 ILE 67 HD12 ILE 67 8.157 33.382 -2.730 543 HD13 ILE 67 HD13 ILE 67 8.847 32.592 -4.145 544 H THR 68 HN THR 68 7.778 29.359 1.225 545 HA THR 68 HA THR 68 6.015 30.786 2.940 546 HB THR 68 HB THR 68 4.370 29.048 2.635 547 HG1 THR 68 HG1 THR 68 5.526 29.288 4.816 548 HG21 THR 68 HG21 THR 68 6.486 26.879 2.978 549 HG22 THR 68 HG22 THR 68 6.232 27.557 1.375 550 HG23 THR 68 HG23 THR 68 4.911 26.744 2.205 551 H TYR 69 HN TYR 69 8.018 31.373 3.419 552 HA TYR 69 HA TYR 69 9.185 31.456 5.675 553 HB2 TYR 69 HB2 TYR 69 8.886 28.978 6.099 554 HB3 TYR 69 HB1 TYR 69 10.019 28.643 4.799 555 HD1 TYR 69 HD2 TYR 69 12.412 29.215 5.046 556 HD2 TYR 69 HD1 TYR 69 9.655 29.886 8.216 557 HE1 TYR 69 HE2 TYR 69 14.279 29.523 6.607 558 HE2 TYR 69 HE1 TYR 69 11.522 30.193 9.776 559 HH TYR 69 HH TYR 69 14.359 30.973 9.114 560 H ARG 70 HN ARG 70 10.880 32.707 5.366 561 HA ARG 70 HA ARG 70 12.636 32.125 3.050 562 HB2 ARG 70 HB2 ARG 70 12.745 34.479 2.543 563 HB3 ARG 70 HB1 ARG 70 11.040 34.117 2.786 564 HG2 ARG 70 HG2 ARG 70 11.487 34.730 5.269 565 HG3 ARG 70 HG1 ARG 70 12.956 35.483 4.667 566 HD2 ARG 70 HD2 ARG 70 10.879 36.310 2.923 567 HD3 ARG 70 HD1 ARG 70 10.248 36.480 4.558 568 HE ARG 70 HE ARG 70 12.723 37.814 3.557 569 HH11 ARG 70 HH21 ARG 70 10.282 39.396 4.089 570 HH12 ARG 70 HH22 ARG 70 10.532 39.968 5.705 571 HH21 ARG 70 HH11 ARG 70 13.048 37.615 6.362 572 HH22 ARG 70 HH12 ARG 70 12.144 38.935 7.025 573 H ALA 71 HN ALA 71 14.793 32.750 3.184 574 HA ALA 71 HA ALA 71 15.769 33.557 5.844 575 HB1 ALA 71 HB1 ALA 71 16.195 31.285 6.162 576 HB2 ALA 71 HB2 ALA 71 17.632 31.673 5.223 577 HB3 ALA 71 HB3 ALA 71 16.234 30.949 4.434 578 H ARG 72 HN ARG 72 17.820 34.507 5.825 579 HA ARG 72 HA ARG 72 18.471 35.776 3.270 580 HB2 ARG 72 HB2 ARG 72 19.853 35.944 5.995 581 HB3 ARG 72 HB1 ARG 72 20.110 37.045 4.646 582 HG2 ARG 72 HG2 ARG 72 17.817 37.829 4.765 583 HG3 ARG 72 HG1 ARG 72 17.407 36.595 5.952 584 HD2 ARG 72 HD2 ARG 72 19.032 37.606 7.544 585 HD3 ARG 72 HD1 ARG 72 19.395 38.860 6.360 586 HE ARG 72 HE ARG 72 16.911 39.471 6.554 587 HH11 ARG 72 HH11 ARG 72 18.818 40.007 8.954 588 HH12 ARG 72 HH12 ARG 72 17.775 39.595 10.275 589 HH21 ARG 72 HH21 ARG 72 15.458 37.972 8.204 590 HH22 ARG 72 HH22 ARG 72 15.821 38.417 9.839 Start of MODEL 2 1 HA MET 1 HA MET 1 -3.990 27.532 0.713 2 HB2 MET 1 HB2 MET 1 -6.147 26.537 2.038 3 HB3 MET 1 HB1 MET 1 -6.242 28.019 1.095 4 HG2 MET 1 HG2 MET 1 -6.965 26.707 -0.867 5 HG3 MET 1 HG1 MET 1 -6.880 25.244 0.076 6 HE1 MET 1 HE1 MET 1 -8.210 28.494 -0.573 7 HE2 MET 1 HE2 MET 1 -8.946 28.841 0.991 8 HE3 MET 1 HE3 MET 1 -9.958 28.380 -0.377 9 H SER 2 HN SER 2 -4.684 26.087 2.945 10 HA SER 2 HA SER 2 -2.696 23.986 2.854 11 HB2 SER 2 HB2 SER 2 -4.746 24.825 4.974 12 HB3 SER 2 HB1 SER 2 -3.507 23.586 5.253 13 HG SER 2 HG SER 2 -2.079 25.327 4.259 14 H LYS 3 HN LYS 3 -3.765 21.986 4.432 15 HA LYS 3 HA LYS 3 -4.855 19.931 4.183 16 HB2 LYS 3 HB2 LYS 3 -6.788 21.662 4.554 17 HB3 LYS 3 HB1 LYS 3 -7.071 21.520 2.823 18 HG2 LYS 3 HG2 LYS 3 -8.500 19.874 3.735 19 HG3 LYS 3 HG1 LYS 3 -7.080 18.950 3.261 20 HD2 LYS 3 HD2 LYS 3 -6.466 19.850 5.834 21 HD3 LYS 3 HD1 LYS 3 -8.170 19.423 5.930 22 HE2 LYS 3 HE2 LYS 3 -6.655 17.487 6.418 23 HE3 LYS 3 HE1 LYS 3 -7.710 17.196 5.042 24 HZ1 LYS 3 HZ1 LYS 3 -5.300 16.592 4.767 25 HZ2 LYS 3 HZ2 LYS 3 -4.970 18.257 4.729 26 HZ3 LYS 3 HZ3 LYS 3 -5.971 17.563 3.546 27 H GLU 4 HN GLU 4 -3.107 19.701 2.450 28 HA GLU 4 HA GLU 4 -4.294 18.420 0.166 29 HB2 GLU 4 HB2 GLU 4 -4.601 20.735 -0.631 30 HB3 GLU 4 HB1 GLU 4 -2.928 21.128 -0.253 31 HG2 GLU 4 HG2 GLU 4 -3.283 20.648 -2.688 32 HG3 GLU 4 HG1 GLU 4 -2.133 19.543 -1.938 33 H ASP 5 HN ASP 5 -2.914 16.895 -0.498 34 HA ASP 5 HA ASP 5 -0.337 16.599 0.717 35 HB2 ASP 5 HB2 ASP 5 -0.094 14.881 -1.295 36 HB3 ASP 5 HB1 ASP 5 -1.315 14.571 -0.062 37 H SER 6 HN SER 6 1.582 17.406 0.177 38 HA SER 6 HA SER 6 2.103 18.213 -2.619 39 HB2 SER 6 HB2 SER 6 2.512 20.526 -2.100 40 HB3 SER 6 HB1 SER 6 1.092 20.171 -1.100 41 HG SER 6 HG SER 6 3.407 20.960 -0.239 42 H PHE 7 HN PHE 7 4.433 19.417 -2.500 43 HA PHE 7 HA PHE 7 6.193 17.667 -0.809 44 HB2 PHE 7 HB2 PHE 7 6.593 18.550 -3.715 45 HB3 PHE 7 HB1 PHE 7 7.784 17.658 -2.771 46 HD1 PHE 7 HD1 PHE 7 4.178 17.454 -3.790 47 HD2 PHE 7 HD2 PHE 7 7.740 15.312 -2.845 48 HE1 PHE 7 HE1 PHE 7 3.068 15.341 -4.368 49 HE2 PHE 7 HE2 PHE 7 6.621 13.206 -3.428 50 HZ PHE 7 HZ PHE 7 4.287 13.218 -4.188 51 H GLU 8 HN GLU 8 7.575 18.755 0.417 52 HA GLU 8 HA GLU 8 7.839 21.670 -0.011 53 HB2 GLU 8 HB2 GLU 8 9.184 21.390 2.228 54 HB3 GLU 8 HB1 GLU 8 7.447 21.111 2.282 55 HG2 GLU 8 HG2 GLU 8 7.785 18.698 2.103 56 HG3 GLU 8 HG1 GLU 8 9.519 18.925 1.894 57 H MET 9 HN MET 9 9.691 22.694 -0.548 58 HA MET 9 HA MET 9 12.270 21.321 -0.533 59 HB2 MET 9 HB2 MET 9 10.695 20.901 -2.778 60 HB3 MET 9 HB1 MET 9 11.619 22.320 -3.263 61 HG2 MET 9 HG2 MET 9 13.701 21.206 -2.782 62 HG3 MET 9 HG1 MET 9 12.873 19.853 -2.058 63 HE1 MET 9 HE1 MET 9 13.820 17.784 -3.312 64 HE2 MET 9 HE2 MET 9 15.003 19.083 -3.464 65 HE3 MET 9 HE3 MET 9 14.611 18.079 -4.860 66 H GLU 10 HN GLU 10 13.737 22.808 -0.064 67 HA GLU 10 HA GLU 10 13.046 25.636 -0.188 68 HB2 GLU 10 HB2 GLU 10 15.644 24.198 0.534 69 HB3 GLU 10 HB1 GLU 10 15.372 25.922 0.755 70 HG2 GLU 10 HG2 GLU 10 13.619 25.528 2.355 71 HG3 GLU 10 HG1 GLU 10 13.569 23.809 1.972 72 H GLY 11 HN GLY 11 13.907 27.212 -1.468 73 HA2 GLY 11 HA2 GLY 11 15.967 26.536 -3.474 74 HA3 GLY 11 HA1 GLY 11 14.368 26.887 -4.136 75 H THR 12 HN THR 12 16.581 28.483 -4.741 76 HA THR 12 HA THR 12 16.260 30.900 -3.016 77 HB THR 12 HB THR 12 18.227 30.250 -5.315 78 HG1 THR 12 HG1 THR 12 18.230 29.254 -3.091 79 HG21 THR 12 HG21 THR 12 19.401 32.258 -3.937 80 HG22 THR 12 HG22 THR 12 17.734 32.688 -3.563 81 HG23 THR 12 HG23 THR 12 18.278 32.642 -5.237 82 H VAL 13 HN VAL 13 15.680 32.913 -3.924 83 HA VAL 13 HA VAL 13 13.998 32.583 -6.415 84 HB VAL 13 HB VAL 13 14.067 34.809 -4.361 85 HG11 VAL 13 HG11 VAL 13 11.838 35.359 -5.459 86 HG12 VAL 13 HG12 VAL 13 12.291 34.263 -6.759 87 HG13 VAL 13 HG13 VAL 13 13.264 35.696 -6.438 88 HG21 VAL 13 HG21 VAL 13 13.233 32.592 -3.504 89 HG22 VAL 13 HG22 VAL 13 12.104 32.495 -4.856 90 HG23 VAL 13 HG23 VAL 13 11.907 33.745 -3.631 91 H VAL 14 HN VAL 14 14.896 33.161 -8.339 92 HA VAL 14 HA VAL 14 15.950 35.886 -8.486 93 HB VAL 14 HB VAL 14 17.662 33.855 -9.822 94 HG11 VAL 14 HG11 VAL 14 19.411 35.367 -9.240 95 HG12 VAL 14 HG12 VAL 14 18.450 36.086 -7.955 96 HG13 VAL 14 HG13 VAL 14 18.034 36.388 -9.640 97 HG21 VAL 14 HG21 VAL 14 17.179 32.699 -7.695 98 HG22 VAL 14 HG22 VAL 14 17.688 34.137 -6.815 99 HG23 VAL 14 HG23 VAL 14 18.854 33.233 -7.770 100 H ASP 15 HN ASP 15 14.028 35.972 -9.629 101 HA ASP 15 HA ASP 15 14.240 36.264 -12.374 102 HB2 ASP 15 HB2 ASP 15 13.465 33.518 -11.491 103 HB3 ASP 15 HB1 ASP 15 12.423 34.231 -12.718 104 H THR 16 HN THR 16 12.405 37.334 -13.142 105 HA THR 16 HA THR 16 10.269 37.748 -11.057 106 HB THR 16 HB THR 16 11.345 39.885 -11.543 107 HG1 THR 16 HG1 THR 16 9.240 40.288 -11.668 108 HG21 THR 16 HG21 THR 16 12.505 39.236 -13.692 109 HG22 THR 16 HG22 THR 16 11.522 40.673 -13.953 110 HG23 THR 16 HG23 THR 16 10.943 39.099 -14.493 111 H LEU 17 HN LEU 17 8.149 37.639 -11.562 112 HA LEU 17 HA LEU 17 7.453 36.760 -14.318 113 HB2 LEU 17 HB2 LEU 17 6.564 35.661 -11.641 114 HB3 LEU 17 HB1 LEU 17 5.719 35.282 -13.129 115 HG LEU 17 HG LEU 17 8.644 34.730 -12.536 116 HD11 LEU 17 HD21 LEU 17 7.174 33.160 -11.461 117 HD12 LEU 17 HD22 LEU 17 7.865 32.383 -12.877 118 HD13 LEU 17 HD23 LEU 17 6.214 32.987 -12.926 119 HD21 LEU 17 HD11 LEU 17 8.134 33.379 -14.821 120 HD22 LEU 17 HD12 LEU 17 8.765 35.024 -14.826 121 HD23 LEU 17 HD13 LEU 17 7.043 34.740 -15.057 122 HA PRO 18 HA PRO 18 4.143 39.665 -13.748 123 HB2 PRO 18 HB2 PRO 18 2.305 38.713 -15.616 124 HB3 PRO 18 HB1 PRO 18 3.785 39.572 -16.057 125 HG2 PRO 18 HG2 PRO 18 3.143 36.705 -16.409 126 HG3 PRO 18 HG1 PRO 18 4.462 37.634 -17.126 127 HD2 PRO 18 HD1 PRO 18 4.577 35.824 -14.854 128 HD3 PRO 18 HD2 PRO 18 5.903 36.687 -15.636 129 H ASN 19 HN ASN 19 1.913 39.995 -13.166 130 HA ASN 19 HA ASN 19 -0.112 39.457 -12.125 131 HB2 ASN 19 HB2 ASN 19 0.347 37.203 -13.644 132 HB3 ASN 19 HB1 ASN 19 0.465 36.512 -12.027 133 HD21 ASN 19 HD21 ASN 19 -1.551 35.480 -11.816 134 HD22 ASN 19 HD22 ASN 19 -3.046 36.269 -11.978 135 H THR 20 HN THR 20 2.434 39.932 -10.884 136 HA THR 20 HA THR 20 3.345 39.969 -8.739 137 HB THR 20 HB THR 20 0.824 38.513 -7.766 138 HG1 THR 20 HG1 THR 20 -0.197 40.462 -7.972 139 HG21 THR 20 HG21 THR 20 2.463 39.149 -6.006 140 HG22 THR 20 HG22 THR 20 1.132 40.303 -5.940 141 HG23 THR 20 HG23 THR 20 2.648 40.751 -6.715 142 H MET 21 HN MET 21 4.512 38.126 -10.132 143 HA MET 21 HA MET 21 4.572 35.790 -8.249 144 HB2 MET 21 HB2 MET 21 4.255 35.797 -11.259 145 HB3 MET 21 HB1 MET 21 5.060 34.442 -10.473 146 HG2 MET 21 HG2 MET 21 3.084 34.269 -8.935 147 HG3 MET 21 HG1 MET 21 2.285 35.489 -9.890 148 HE1 MET 21 HE1 MET 21 0.576 31.903 -10.190 149 HE2 MET 21 HE2 MET 21 0.607 33.408 -9.271 150 HE3 MET 21 HE3 MET 21 1.824 32.167 -8.972 151 H PHE 22 HN PHE 22 6.478 34.370 -8.766 152 HA PHE 22 HA PHE 22 8.828 35.752 -9.847 153 HB2 PHE 22 HB2 PHE 22 8.821 34.794 -6.934 154 HB3 PHE 22 HB1 PHE 22 10.051 35.764 -7.737 155 HD1 PHE 22 HD1 PHE 22 6.463 35.844 -6.665 156 HD2 PHE 22 HD2 PHE 22 9.914 38.125 -7.686 157 HE1 PHE 22 HE1 PHE 22 5.326 37.903 -5.954 158 HE2 PHE 22 HE2 PHE 22 8.770 40.174 -6.971 159 HZ PHE 22 HZ PHE 22 6.476 40.064 -6.107 160 H ARG 23 HN ARG 23 10.778 34.202 -9.513 161 HA ARG 23 HA ARG 23 9.776 31.373 -9.591 162 HB2 ARG 23 HB2 ARG 23 10.320 31.652 -11.824 163 HB3 ARG 23 HB1 ARG 23 11.419 32.949 -11.482 164 HG2 ARG 23 HG2 ARG 23 13.178 31.452 -10.844 165 HG3 ARG 23 HG1 ARG 23 12.068 30.097 -10.738 166 HD2 ARG 23 HD2 ARG 23 12.007 29.789 -13.031 167 HD3 ARG 23 HD1 ARG 23 12.247 31.499 -13.371 168 HE ARG 23 HE ARG 23 14.638 30.496 -12.192 169 HH11 ARG 23 HH21 ARG 23 13.479 31.638 -15.014 170 HH12 ARG 23 HH22 ARG 23 14.420 30.645 -16.076 171 HH21 ARG 23 HH11 ARG 23 15.526 28.569 -13.479 172 HH22 ARG 23 HH12 ARG 23 15.609 28.858 -15.184 173 H VAL 24 HN VAL 24 10.974 29.818 -8.655 174 HA VAL 24 HA VAL 24 13.355 30.790 -7.200 175 HB VAL 24 HB VAL 24 11.396 30.228 -5.749 176 HG11 VAL 24 HG21 VAL 24 10.894 28.285 -7.518 177 HG12 VAL 24 HG22 VAL 24 10.324 28.218 -5.854 178 HG13 VAL 24 HG23 VAL 24 11.781 27.349 -6.324 179 HG21 VAL 24 HG11 VAL 24 12.695 28.394 -4.405 180 HG22 VAL 24 HG12 VAL 24 13.449 29.971 -4.615 181 HG23 VAL 24 HG13 VAL 24 13.940 28.616 -5.628 182 H GLU 25 HN GLU 25 15.192 29.631 -7.289 183 HA GLU 25 HA GLU 25 15.137 27.501 -9.373 184 HB2 GLU 25 HB2 GLU 25 17.206 29.357 -8.183 185 HB3 GLU 25 HB1 GLU 25 17.766 27.827 -8.850 186 HG2 GLU 25 HG2 GLU 25 16.587 28.341 -10.980 187 HG3 GLU 25 HG1 GLU 25 16.073 29.888 -10.310 188 H LEU 26 HN LEU 26 15.273 25.591 -8.976 189 HA LEU 26 HA LEU 26 16.260 24.521 -6.400 190 HB2 LEU 26 HB2 LEU 26 14.145 23.460 -8.384 191 HB3 LEU 26 HB1 LEU 26 14.799 22.492 -7.077 192 HG LEU 26 HG LEU 26 13.433 25.173 -6.716 193 HD11 LEU 26 HD21 LEU 26 12.320 22.473 -5.946 194 HD12 LEU 26 HD22 LEU 26 12.027 23.148 -7.544 195 HD13 LEU 26 HD23 LEU 26 11.465 24.002 -6.111 196 HD21 LEU 26 HD11 LEU 26 14.652 23.114 -4.881 197 HD22 LEU 26 HD12 LEU 26 13.304 24.092 -4.309 198 HD23 LEU 26 HD13 LEU 26 14.797 24.866 -4.825 199 H GLU 27 HN GLU 27 17.716 25.548 -8.463 200 HA GLU 27 HA GLU 27 18.607 24.218 -10.637 201 HB2 GLU 27 HB2 GLU 27 19.622 26.232 -9.073 202 HB3 GLU 27 HB1 GLU 27 20.817 24.971 -8.781 203 HG2 GLU 27 HG2 GLU 27 21.035 24.660 -11.258 204 HG3 GLU 27 HG1 GLU 27 19.931 26.015 -11.492 205 H ASN 28 HN ASN 28 18.405 22.766 -7.679 206 HA ASN 28 HA ASN 28 20.707 21.059 -7.940 207 HB2 ASN 28 HB2 ASN 28 18.138 21.099 -6.320 208 HB3 ASN 28 HB1 ASN 28 18.949 19.544 -6.489 209 HD21 ASN 28 HD21 ASN 28 20.239 19.191 -4.695 210 HD22 ASN 28 HD22 ASN 28 21.193 20.365 -3.925 211 H GLY 29 HN GLY 29 18.913 21.688 -10.201 212 HA2 GLY 29 HA2 GLY 29 18.855 20.199 -12.152 213 HA3 GLY 29 HA1 GLY 29 18.165 18.978 -11.089 214 H HIS 30 HN HIS 30 16.558 21.529 -9.872 215 HA HIS 30 HA HIS 30 14.478 21.530 -12.052 216 HB2 HIS 30 HB2 HIS 30 14.133 21.184 -9.049 217 HB3 HIS 30 HB1 HIS 30 12.786 21.573 -10.121 218 HD1 HIS 30 HD1 HIS 30 12.775 19.788 -12.213 219 HD2 HIS 30 HD2 HIS 30 14.508 18.496 -8.784 220 HE1 HIS 30 HE1 HIS 30 12.808 17.375 -12.416 221 H VAL 31 HN VAL 31 13.033 23.267 -12.150 222 HA VAL 31 HA VAL 31 13.824 25.804 -10.703 223 HB VAL 31 HB VAL 31 13.286 25.332 -13.680 224 HG11 VAL 31 HG21 VAL 31 13.301 27.812 -13.915 225 HG12 VAL 31 HG22 VAL 31 13.336 27.959 -12.160 226 HG13 VAL 31 HG23 VAL 31 11.929 27.260 -12.958 227 HG21 VAL 31 HG11 VAL 31 15.582 25.180 -13.354 228 HG22 VAL 31 HG12 VAL 31 15.556 26.277 -11.977 229 HG23 VAL 31 HG13 VAL 31 15.411 26.910 -13.612 230 H VAL 32 HN VAL 32 11.886 27.203 -10.281 231 HA VAL 32 HA VAL 32 9.319 26.112 -11.264 232 HB VAL 32 HB VAL 32 9.455 26.586 -8.362 233 HG11 VAL 32 HG21 VAL 32 7.890 24.597 -8.467 234 HG12 VAL 32 HG22 VAL 32 7.987 24.747 -10.215 235 HG13 VAL 32 HG23 VAL 32 7.324 26.062 -9.251 236 HG21 VAL 32 HG11 VAL 32 11.451 25.145 -8.877 237 HG22 VAL 32 HG12 VAL 32 10.343 23.984 -9.601 238 HG23 VAL 32 HG13 VAL 32 10.240 24.346 -7.887 239 H THR 33 HN THR 33 7.461 27.293 -10.353 240 HA THR 33 HA THR 33 8.075 30.198 -10.197 241 HB THR 33 HB THR 33 6.147 28.613 -11.850 242 HG1 THR 33 HG1 THR 33 8.066 30.407 -12.033 243 HG21 THR 33 HG21 THR 33 4.428 29.857 -10.684 244 HG22 THR 33 HG22 THR 33 4.849 30.925 -12.019 245 HG23 THR 33 HG23 THR 33 5.501 31.225 -10.411 246 H ALA 34 HN ALA 34 7.153 31.295 -8.506 247 HA ALA 34 HA ALA 34 4.846 30.042 -7.155 248 HB1 ALA 34 HB1 ALA 34 6.694 28.960 -5.995 249 HB2 ALA 34 HB2 ALA 34 6.071 30.202 -4.914 250 HB3 ALA 34 HB3 ALA 34 7.551 30.489 -5.822 251 H HIS 35 HN HIS 35 4.382 31.389 -5.059 252 HA HIS 35 HA HIS 35 4.789 34.295 -5.678 253 HB2 HIS 35 HB2 HIS 35 2.522 33.629 -6.455 254 HB3 HIS 35 HB1 HIS 35 2.182 32.872 -4.901 255 HD1 HIS 35 HD1 HIS 35 0.432 34.502 -4.190 256 HD2 HIS 35 HD2 HIS 35 3.839 36.448 -5.203 257 HE1 HIS 35 HE1 HIS 35 0.063 36.785 -3.481 258 H ILE 36 HN ILE 36 4.486 35.673 -3.813 259 HA ILE 36 HA ILE 36 5.285 34.249 -1.321 260 HB ILE 36 HB ILE 36 6.656 36.172 -2.259 261 HG12 ILE 36 HG12 ILE 36 5.352 36.621 0.449 262 HG13 ILE 36 HG11 ILE 36 6.791 35.658 0.129 263 HG21 ILE 36 HG21 ILE 36 5.731 38.394 -2.304 264 HG22 ILE 36 HG22 ILE 36 4.375 37.942 -1.275 265 HG23 ILE 36 HG23 ILE 36 4.431 37.396 -2.948 266 HD11 ILE 36 HD11 ILE 36 6.456 38.656 -0.085 267 HD12 ILE 36 HD12 ILE 36 7.769 37.824 -0.914 268 HD13 ILE 36 HD13 ILE 36 7.652 37.755 0.842 269 H SER 37 HN SER 37 4.360 34.914 0.715 270 HA SER 37 HA SER 37 1.470 35.286 0.501 271 HB2 SER 37 HB2 SER 37 3.430 34.560 2.691 272 HB3 SER 37 HB1 SER 37 1.819 35.143 3.153 273 HG SER 37 HG SER 37 1.050 33.308 2.503 274 H GLY 38 HN GLY 38 0.353 36.838 1.932 275 HA2 GLY 38 HA2 GLY 38 1.535 39.493 1.602 276 HA3 GLY 38 HA1 GLY 38 -0.068 39.150 2.245 277 H LYS 39 HN LYS 39 0.968 37.247 4.228 278 HA LYS 39 HA LYS 39 1.195 38.894 6.468 279 HB2 LYS 39 HB2 LYS 39 2.288 36.109 5.887 280 HB3 LYS 39 HB1 LYS 39 2.466 36.847 7.474 281 HG2 LYS 39 HG2 LYS 39 -0.046 37.221 7.474 282 HG3 LYS 39 HG1 LYS 39 -0.124 36.241 6.014 283 HD2 LYS 39 HD2 LYS 39 0.701 34.305 7.152 284 HD3 LYS 39 HD1 LYS 39 1.200 35.249 8.551 285 HE2 LYS 39 HE2 LYS 39 -1.249 35.861 8.874 286 HE3 LYS 39 HE1 LYS 39 -1.632 34.665 7.642 287 HZ1 LYS 39 HZ1 LYS 39 -0.422 34.235 10.300 288 HZ2 LYS 39 HZ2 LYS 39 -0.309 33.067 9.071 289 HZ3 LYS 39 HZ3 LYS 39 -1.832 33.545 9.653 290 H MET 40 HN MET 40 3.908 37.365 4.724 291 HA MET 40 HA MET 40 6.012 38.468 6.198 292 HB2 MET 40 HB2 MET 40 5.909 38.159 3.157 293 HB3 MET 40 HB1 MET 40 7.366 38.184 4.145 294 HG2 MET 40 HG2 MET 40 5.309 36.051 3.833 295 HG3 MET 40 HG1 MET 40 7.044 35.910 3.897 296 HE1 MET 40 HE1 MET 40 8.383 36.321 5.608 297 HE2 MET 40 HE2 MET 40 8.219 34.874 6.602 298 HE3 MET 40 HE3 MET 40 8.014 36.469 7.326 299 H ARG 41 HN ARG 41 4.190 39.939 3.551 300 HA ARG 41 HA ARG 41 5.766 42.312 3.378 301 HB2 ARG 41 HB2 ARG 41 3.193 41.308 2.350 302 HB3 ARG 41 HB1 ARG 41 3.138 43.035 2.682 303 HG2 ARG 41 HG2 ARG 41 5.489 41.867 1.207 304 HG3 ARG 41 HG1 ARG 41 3.998 42.216 0.340 305 HD2 ARG 41 HD2 ARG 41 4.785 44.409 2.115 306 HD3 ARG 41 HD1 ARG 41 6.015 44.057 0.901 307 HE ARG 41 HE ARG 41 3.184 44.418 0.037 308 HH11 ARG 41 HH21 ARG 41 5.414 46.597 0.828 309 HH12 ARG 41 HH22 ARG 41 5.776 47.178 -0.763 310 HH21 ARG 41 HH11 ARG 41 4.072 44.546 -2.331 311 HH22 ARG 41 HH12 ARG 41 4.996 45.986 -2.599 312 H LYS 42 HN LYS 42 2.959 41.476 5.338 313 HA LYS 42 HA LYS 42 2.490 44.087 6.379 314 HB2 LYS 42 HB2 LYS 42 1.899 41.272 7.374 315 HB3 LYS 42 HB1 LYS 42 1.499 42.667 8.363 316 HG2 LYS 42 HG2 LYS 42 0.520 43.352 5.840 317 HG3 LYS 42 HG1 LYS 42 0.151 41.637 5.976 318 HD2 LYS 42 HD2 LYS 42 -0.473 43.636 8.166 319 HD3 LYS 42 HD1 LYS 42 -1.628 43.197 6.913 320 HE2 LYS 42 HE2 LYS 42 -1.719 40.934 7.635 321 HE3 LYS 42 HE1 LYS 42 -0.244 41.091 8.579 322 HZ1 LYS 42 HZ1 LYS 42 -2.963 41.877 9.235 323 HZ2 LYS 42 HZ2 LYS 42 -1.730 42.919 9.762 324 HZ3 LYS 42 HZ3 LYS 42 -1.726 41.289 10.239 325 H ASN 43 HN ASN 43 4.847 41.655 7.099 326 HA ASN 43 HA ASN 43 5.543 42.564 9.728 327 HB2 ASN 43 HB2 ASN 43 6.410 40.545 7.939 328 HB3 ASN 43 HB1 ASN 43 7.829 41.564 8.175 329 HD21 ASN 43 HD21 ASN 43 9.071 40.766 9.855 330 HD22 ASN 43 HD22 ASN 43 8.466 40.088 11.288 331 H TYR 44 HN TYR 44 5.651 44.164 6.883 332 HA TYR 44 HA TYR 44 6.619 46.205 6.301 333 HB2 TYR 44 HB2 TYR 44 6.344 46.373 8.988 334 HB3 TYR 44 HB1 TYR 44 8.104 46.372 8.924 335 HD1 TYR 44 HD1 TYR 44 5.080 48.105 7.627 336 HD2 TYR 44 HD2 TYR 44 9.288 48.320 8.201 337 HE1 TYR 44 HE1 TYR 44 5.048 50.466 6.972 338 HE2 TYR 44 HE2 TYR 44 9.256 50.682 7.545 339 HH TYR 44 HH TYR 44 6.677 52.129 6.004 340 H ILE 45 HN ILE 45 7.894 44.116 5.262 341 HA ILE 45 HA ILE 45 10.687 45.018 5.265 342 HB ILE 45 HB ILE 45 9.778 42.195 5.966 343 HG12 ILE 45 HG12 ILE 45 11.657 44.174 7.300 344 HG13 ILE 45 HG11 ILE 45 10.046 43.732 7.855 345 HG21 ILE 45 HG21 ILE 45 11.559 42.038 4.249 346 HG22 ILE 45 HG22 ILE 45 12.256 41.637 5.816 347 HG23 ILE 45 HG23 ILE 45 12.534 43.225 5.111 348 HD11 ILE 45 HD11 ILE 45 11.104 41.263 7.678 349 HD12 ILE 45 HD12 ILE 45 11.264 42.243 9.132 350 HD13 ILE 45 HD13 ILE 45 12.587 42.168 7.972 351 H ARG 46 HN ARG 46 11.267 45.244 3.210 352 HA ARG 46 HA ARG 46 9.680 44.067 1.074 353 HB2 ARG 46 HB2 ARG 46 11.025 46.334 1.114 354 HB3 ARG 46 HB1 ARG 46 12.422 45.339 0.724 355 HG2 ARG 46 HG2 ARG 46 11.790 45.428 -1.445 356 HG3 ARG 46 HG1 ARG 46 10.383 44.461 -1.014 357 HD2 ARG 46 HD2 ARG 46 9.310 46.713 -0.281 358 HD3 ARG 46 HD1 ARG 46 10.602 47.471 -1.210 359 HE ARG 46 HE ARG 46 8.644 45.557 -2.421 360 HH11 ARG 46 HH11 ARG 46 11.070 46.226 -3.997 361 HH12 ARG 46 HH12 ARG 46 10.548 47.574 -4.953 362 HH21 ARG 46 HH21 ARG 46 7.756 48.188 -2.926 363 HH22 ARG 46 HH22 ARG 46 8.623 48.712 -4.330 364 H ILE 47 HN ILE 47 10.678 42.817 -0.696 365 HA ILE 47 HA ILE 47 12.510 40.745 0.434 366 HB ILE 47 HB ILE 47 10.268 40.003 -0.381 367 HG12 ILE 47 HG12 ILE 47 12.611 39.150 -2.121 368 HG13 ILE 47 HG11 ILE 47 12.158 38.450 -0.572 369 HG21 ILE 47 HG21 ILE 47 10.602 41.936 -2.311 370 HG22 ILE 47 HG22 ILE 47 9.473 40.599 -2.490 371 HG23 ILE 47 HG23 ILE 47 11.070 40.507 -3.228 372 HD11 ILE 47 HD11 ILE 47 11.098 37.866 -3.203 373 HD12 ILE 47 HD12 ILE 47 9.806 38.410 -2.140 374 HD13 ILE 47 HD13 ILE 47 10.797 37.028 -1.685 375 H LEU 48 HN LEU 48 14.448 40.362 -0.445 376 HA LEU 48 HA LEU 48 15.230 42.008 -2.804 377 HB2 LEU 48 HB2 LEU 48 17.552 41.654 -2.015 378 HB3 LEU 48 HB1 LEU 48 16.572 42.247 -0.681 379 HG LEU 48 HG LEU 48 17.043 39.302 -1.176 380 HD11 LEU 48 HD11 LEU 48 18.712 39.479 0.687 381 HD12 LEU 48 HD12 LEU 48 18.565 41.232 0.603 382 HD13 LEU 48 HD13 LEU 48 19.217 40.337 -0.766 383 HD21 LEU 48 HD21 LEU 48 15.529 40.928 0.732 384 HD22 LEU 48 HD22 LEU 48 16.612 39.786 1.522 385 HD23 LEU 48 HD23 LEU 48 15.399 39.207 0.385 386 H THR 49 HN THR 49 16.510 41.038 -4.475 387 HA THR 49 HA THR 49 15.480 38.523 -5.386 388 HB THR 49 HB THR 49 17.919 40.234 -6.146 389 HG1 THR 49 HG1 THR 49 16.564 40.632 -7.814 390 HG21 THR 49 HG21 THR 49 18.552 37.849 -6.640 391 HG22 THR 49 HG22 THR 49 18.112 38.665 -8.136 392 HG23 THR 49 HG23 THR 49 16.967 37.576 -7.357 393 H GLY 50 HN GLY 50 16.054 36.636 -5.257 394 HA2 GLY 50 HA2 GLY 50 17.152 34.656 -4.695 395 HA3 GLY 50 HA1 GLY 50 18.575 35.610 -4.306 396 H ASP 51 HN ASP 51 15.414 34.741 -3.240 397 HA ASP 51 HA ASP 51 16.236 35.201 -0.424 398 HB2 ASP 51 HB2 ASP 51 13.429 34.553 -0.662 399 HB3 ASP 51 HB1 ASP 51 14.120 36.104 -0.206 400 H LYS 52 HN LYS 52 16.716 33.303 0.671 401 HA LYS 52 HA LYS 52 16.148 30.874 -0.849 402 HB2 LYS 52 HB2 LYS 52 17.325 31.530 1.893 403 HB3 LYS 52 HB1 LYS 52 16.787 29.882 1.595 404 HG2 LYS 52 HG2 LYS 52 18.279 29.649 -0.281 405 HG3 LYS 52 HG1 LYS 52 18.662 31.367 -0.265 406 HD2 LYS 52 HD2 LYS 52 19.483 30.950 2.161 407 HD3 LYS 52 HD1 LYS 52 19.475 29.245 1.719 408 HE2 LYS 52 HE2 LYS 52 20.972 31.450 0.268 409 HE3 LYS 52 HE1 LYS 52 21.695 30.233 1.309 410 HZ1 LYS 52 HZ1 LYS 52 21.319 30.025 -1.374 411 HZ2 LYS 52 HZ2 LYS 52 20.059 29.085 -0.731 412 HZ3 LYS 52 HZ3 LYS 52 21.671 28.746 -0.313 413 H VAL 53 HN VAL 53 14.098 30.213 -0.990 414 HA VAL 53 HA VAL 53 12.356 30.552 1.437 415 HB VAL 53 HB VAL 53 10.480 30.922 -0.114 416 HG11 VAL 53 HG21 VAL 53 11.111 33.097 -0.082 417 HG12 VAL 53 HG22 VAL 53 12.153 32.809 -1.470 418 HG13 VAL 53 HG23 VAL 53 12.786 32.618 0.160 419 HG21 VAL 53 HG11 VAL 53 11.034 29.557 -1.982 420 HG22 VAL 53 HG12 VAL 53 12.629 30.276 -2.143 421 HG23 VAL 53 HG13 VAL 53 11.201 31.197 -2.598 422 H ARG 54 HN ARG 54 10.437 29.199 1.540 423 HA ARG 54 HA ARG 54 11.252 26.411 0.800 424 HB2 ARG 54 HB2 ARG 54 10.426 27.292 3.174 425 HB3 ARG 54 HB1 ARG 54 8.822 27.174 2.465 426 HG2 ARG 54 HG2 ARG 54 9.343 24.782 1.866 427 HG3 ARG 54 HG1 ARG 54 10.857 24.939 2.750 428 HD2 ARG 54 HD2 ARG 54 9.511 25.628 4.780 429 HD3 ARG 54 HD1 ARG 54 8.051 25.233 3.877 430 HE ARG 54 HE ARG 54 10.087 23.097 4.105 431 HH11 ARG 54 HH21 ARG 54 7.067 23.011 3.433 432 HH12 ARG 54 HH22 ARG 54 6.445 22.256 4.863 433 HH21 ARG 54 HH11 ARG 54 9.392 22.807 6.680 434 HH22 ARG 54 HH12 ARG 54 7.795 22.138 6.749 435 H VAL 55 HN VAL 55 10.459 25.715 -1.073 436 HA VAL 55 HA VAL 55 7.948 26.894 -2.084 437 HB VAL 55 HB VAL 55 9.706 24.993 -3.636 438 HG11 VAL 55 HG11 VAL 55 7.426 26.221 -4.319 439 HG12 VAL 55 HG12 VAL 55 8.717 25.966 -5.488 440 HG13 VAL 55 HG13 VAL 55 8.537 27.530 -4.698 441 HG21 VAL 55 HG21 VAL 55 11.142 26.861 -4.294 442 HG22 VAL 55 HG22 VAL 55 11.215 26.658 -2.549 443 HG23 VAL 55 HG23 VAL 55 10.247 27.953 -3.249 444 H GLU 56 HN GLU 56 6.142 25.821 -2.261 445 HA GLU 56 HA GLU 56 6.169 22.907 -1.624 446 HB2 GLU 56 HB2 GLU 56 4.097 25.134 -1.334 447 HB3 GLU 56 HB1 GLU 56 3.617 23.442 -1.287 448 HG2 GLU 56 HG2 GLU 56 5.234 23.060 0.573 449 HG3 GLU 56 HG1 GLU 56 5.636 24.776 0.551 450 H LEU 57 HN LEU 57 5.920 21.650 -3.356 451 HA LEU 57 HA LEU 57 4.822 22.875 -5.821 452 HB2 LEU 57 HB2 LEU 57 5.915 20.045 -5.454 453 HB3 LEU 57 HB1 LEU 57 5.786 20.953 -6.953 454 HG LEU 57 HG LEU 57 7.479 21.934 -4.651 455 HD11 LEU 57 HD11 LEU 57 8.425 20.302 -7.024 456 HD12 LEU 57 HD12 LEU 57 8.162 19.618 -5.424 457 HD13 LEU 57 HD13 LEU 57 9.394 20.854 -5.661 458 HD21 LEU 57 HD21 LEU 57 7.596 22.432 -7.642 459 HD22 LEU 57 HD22 LEU 57 8.558 23.241 -6.411 460 HD23 LEU 57 HD23 LEU 57 6.820 23.511 -6.489 461 H THR 58 HN THR 58 3.047 22.119 -6.894 462 HA THR 58 HA THR 58 1.263 20.389 -5.239 463 HB THR 58 HB THR 58 -0.600 21.580 -6.322 464 HG1 THR 58 HG1 THR 58 1.308 22.930 -7.894 465 HG21 THR 58 HG21 THR 58 0.697 23.023 -4.651 466 HG22 THR 58 HG22 THR 58 0.060 23.996 -5.973 467 HG23 THR 58 HG23 THR 58 1.760 23.535 -5.960 468 HA PRO 59 HA PRO 59 1.424 17.168 -8.208 469 HB2 PRO 59 HB2 PRO 59 -1.372 16.470 -7.985 470 HB3 PRO 59 HB1 PRO 59 -0.013 15.688 -7.178 471 HG2 PRO 59 HG2 PRO 59 -2.018 17.468 -6.017 472 HG3 PRO 59 HG1 PRO 59 -0.749 16.568 -5.185 473 HD2 PRO 59 HD1 PRO 59 -0.827 19.390 -5.661 474 HD3 PRO 59 HD2 PRO 59 0.507 18.451 -4.963 475 H TYR 60 HN TYR 60 -0.970 19.680 -8.402 476 HA TYR 60 HA TYR 60 -2.060 18.953 -10.969 477 HB2 TYR 60 HB2 TYR 60 -1.888 21.557 -9.393 478 HB3 TYR 60 HB1 TYR 60 -2.638 21.499 -10.985 479 HD1 TYR 60 HD1 TYR 60 -4.251 19.281 -11.217 480 HD2 TYR 60 HD2 TYR 60 -3.389 21.365 -7.611 481 HE1 TYR 60 HE1 TYR 60 -6.312 18.405 -10.221 482 HE2 TYR 60 HE2 TYR 60 -5.451 20.487 -6.613 483 HH TYR 60 HH TYR 60 -7.388 19.427 -7.017 484 H ASP 61 HN ASP 61 0.733 20.796 -9.943 485 HA ASP 61 HA ASP 61 1.998 20.482 -12.517 486 HB2 ASP 61 HB2 ASP 61 0.520 23.030 -11.880 487 HB3 ASP 61 HB1 ASP 61 2.087 23.186 -12.672 488 H LEU 62 HN LEU 62 3.510 19.686 -10.932 489 HA LEU 62 HA LEU 62 4.671 20.986 -8.821 490 HB2 LEU 62 HB2 LEU 62 6.050 19.388 -11.022 491 HB3 LEU 62 HB1 LEU 62 6.788 19.764 -9.469 492 HG LEU 62 HG LEU 62 4.414 18.777 -8.612 493 HD11 LEU 62 HD11 LEU 62 4.188 16.606 -10.048 494 HD12 LEU 62 HD12 LEU 62 4.956 17.556 -11.310 495 HD13 LEU 62 HD13 LEU 62 3.426 18.081 -10.622 496 HD21 LEU 62 HD21 LEU 62 6.596 18.018 -7.822 497 HD22 LEU 62 HD22 LEU 62 6.903 17.205 -9.355 498 HD23 LEU 62 HD23 LEU 62 5.643 16.611 -8.280 499 H SER 63 HN SER 63 5.273 21.645 -12.247 500 HA SER 63 HA SER 63 7.519 23.354 -11.923 501 HB2 SER 63 HB2 SER 63 5.378 24.173 -13.898 502 HB3 SER 63 HB1 SER 63 7.110 23.896 -14.176 503 HG SER 63 HG SER 63 5.613 22.217 -14.965 504 H LYS 64 HN LYS 64 4.532 23.587 -10.582 505 HA LYS 64 HA LYS 64 4.887 26.518 -10.092 506 HB2 LYS 64 HB2 LYS 64 2.269 24.968 -10.510 507 HB3 LYS 64 HB1 LYS 64 2.369 26.666 -10.059 508 HG2 LYS 64 HG2 LYS 64 3.433 27.242 -12.146 509 HG3 LYS 64 HG1 LYS 64 3.674 25.548 -12.558 510 HD2 LYS 64 HD2 LYS 64 1.438 25.224 -13.107 511 HD3 LYS 64 HD1 LYS 64 0.881 26.494 -12.029 512 HE2 LYS 64 HE2 LYS 64 2.647 27.392 -14.235 513 HE3 LYS 64 HE1 LYS 64 1.075 26.783 -14.737 514 HZ1 LYS 64 HZ1 LYS 64 1.138 28.630 -12.482 515 HZ2 LYS 64 HZ2 LYS 64 -0.012 28.461 -13.720 516 HZ3 LYS 64 HZ3 LYS 64 1.449 29.273 -14.024 517 H GLY 65 HN GLY 65 4.495 27.174 -8.045 518 HA2 GLY 65 HA2 GLY 65 3.312 25.431 -6.041 519 HA3 GLY 65 HA1 GLY 65 5.068 25.528 -5.901 520 H ARG 66 HN ARG 66 4.233 26.506 -3.783 521 HA ARG 66 HA ARG 66 4.064 29.482 -4.236 522 HB2 ARG 66 HB2 ARG 66 2.620 29.513 -2.106 523 HB3 ARG 66 HB1 ARG 66 1.843 28.741 -3.483 524 HG2 ARG 66 HG2 ARG 66 2.894 26.542 -2.536 525 HG3 ARG 66 HG1 ARG 66 3.059 27.457 -1.042 526 HD2 ARG 66 HD2 ARG 66 0.607 26.444 -2.374 527 HD3 ARG 66 HD1 ARG 66 0.914 26.735 -0.663 528 HE ARG 66 HE ARG 66 0.676 29.242 -1.341 529 HH11 ARG 66 HH21 ARG 66 -0.102 27.632 -4.032 530 HH12 ARG 66 HH22 ARG 66 -1.780 28.054 -4.097 531 HH21 ARG 66 HH11 ARG 66 -1.784 29.357 -0.843 532 HH22 ARG 66 HH12 ARG 66 -2.757 29.058 -2.243 533 H ILE 67 HN ILE 67 4.849 30.745 -2.345 534 HA ILE 67 HA ILE 67 7.117 29.282 -1.056 535 HB ILE 67 HB ILE 67 6.582 32.149 -1.830 536 HG12 ILE 67 HG12 ILE 67 9.155 30.648 -2.101 537 HG13 ILE 67 HG11 ILE 67 7.829 30.272 -3.188 538 HG21 ILE 67 HG21 ILE 67 8.934 32.429 -0.560 539 HG22 ILE 67 HG22 ILE 67 8.335 31.073 0.389 540 HG23 ILE 67 HG23 ILE 67 7.427 32.582 0.338 541 HD11 ILE 67 HD11 ILE 67 9.328 32.036 -4.119 542 HD12 ILE 67 HD12 ILE 67 8.963 33.054 -2.729 543 HD13 ILE 67 HD13 ILE 67 7.689 32.630 -3.869 544 H THR 68 HN THR 68 7.389 29.291 1.162 545 HA THR 68 HA THR 68 5.815 30.930 2.852 546 HB THR 68 HB THR 68 4.757 28.721 3.926 547 HG1 THR 68 HG1 THR 68 6.073 27.822 1.891 548 HG21 THR 68 HG21 THR 68 2.735 29.175 2.768 549 HG22 THR 68 HG22 THR 68 3.553 29.342 1.220 550 HG23 THR 68 HG23 THR 68 3.610 30.655 2.394 551 H TYR 69 HN TYR 69 7.897 31.247 3.392 552 HA TYR 69 HA TYR 69 9.051 31.111 5.641 553 HB2 TYR 69 HB2 TYR 69 8.232 28.727 6.041 554 HB3 TYR 69 HB1 TYR 69 9.405 28.170 4.851 555 HD1 TYR 69 HD2 TYR 69 8.977 29.715 8.161 556 HD2 TYR 69 HD1 TYR 69 11.785 28.165 5.368 557 HE1 TYR 69 HE2 TYR 69 10.703 29.715 9.898 558 HE2 TYR 69 HE1 TYR 69 13.515 28.171 7.107 559 HH TYR 69 HH TYR 69 13.143 29.780 10.071 560 H ARG 70 HN ARG 70 10.834 32.153 5.252 561 HA ARG 70 HA ARG 70 12.789 30.976 3.439 562 HB2 ARG 70 HB2 ARG 70 13.043 33.189 2.253 563 HB3 ARG 70 HB1 ARG 70 11.462 32.461 1.993 564 HG2 ARG 70 HG2 ARG 70 10.617 34.413 2.744 565 HG3 ARG 70 HG1 ARG 70 11.125 33.887 4.343 566 HD2 ARG 70 HD2 ARG 70 13.358 34.952 3.941 567 HD3 ARG 70 HD1 ARG 70 12.766 35.550 2.393 568 HE ARG 70 HE ARG 70 12.048 36.605 5.030 569 HH11 ARG 70 HH11 ARG 70 9.581 35.915 3.374 570 HH12 ARG 70 HH12 ARG 70 9.272 37.423 2.581 571 HH21 ARG 70 HH21 ARG 70 12.450 38.696 3.333 572 HH22 ARG 70 HH22 ARG 70 10.940 39.041 2.557 573 H ALA 71 HN ALA 71 14.877 31.844 3.550 574 HA ALA 71 HA ALA 71 15.400 33.420 6.008 575 HB1 ALA 71 HB1 ALA 71 17.294 31.977 6.490 576 HB2 ALA 71 HB2 ALA 71 17.169 31.191 4.919 577 HB3 ALA 71 HB3 ALA 71 15.940 30.906 6.147 578 H ARG 72 HN ARG 72 17.239 34.748 5.969 579 HA ARG 72 HA ARG 72 18.313 35.302 3.223 580 HB2 ARG 72 HB2 ARG 72 17.944 37.333 5.472 581 HB3 ARG 72 HB1 ARG 72 18.286 37.670 3.779 582 HG2 ARG 72 HG2 ARG 72 16.101 36.905 3.102 583 HG3 ARG 72 HG1 ARG 72 15.770 36.252 4.702 584 HD2 ARG 72 HD2 ARG 72 16.209 38.741 5.482 585 HD3 ARG 72 HD1 ARG 72 15.824 39.121 3.804 586 HE ARG 72 HE ARG 72 13.574 38.458 4.214 587 HH11 ARG 72 HH11 ARG 72 15.754 37.469 6.665 588 HH12 ARG 72 HH12 ARG 72 14.521 37.096 7.824 589 HH21 ARG 72 HH21 ARG 72 11.927 38.067 5.678 590 HH22 ARG 72 HH22 ARG 72 12.298 37.444 7.251 Start of MODEL 3 1 HA MET 1 HA MET 1 2.096 2.747 -2.560 2 HB2 MET 1 HB2 MET 1 3.652 2.403 -4.609 3 HB3 MET 1 HB1 MET 1 2.921 3.856 -5.283 4 HG2 MET 1 HG2 MET 1 3.667 5.192 -3.459 5 HG3 MET 1 HG1 MET 1 4.091 3.794 -2.508 6 HE1 MET 1 HE1 MET 1 7.314 5.944 -3.065 7 HE2 MET 1 HE2 MET 1 6.116 5.381 -1.899 8 HE3 MET 1 HE3 MET 1 5.665 6.566 -3.126 9 H SER 2 HN SER 2 1.792 4.801 -1.772 10 HA SER 2 HA SER 2 -0.662 6.087 -2.386 11 HB2 SER 2 HB2 SER 2 1.837 7.313 -1.088 12 HB3 SER 2 HB1 SER 2 0.170 7.889 -0.894 13 HG SER 2 HG SER 2 0.618 6.479 0.787 14 H LYS 3 HN LYS 3 -0.974 8.258 -3.241 15 HA LYS 3 HA LYS 3 1.132 9.344 -4.973 16 HB2 LYS 3 HB2 LYS 3 -0.386 9.174 -7.018 17 HB3 LYS 3 HB1 LYS 3 0.206 7.617 -6.450 18 HG2 LYS 3 HG2 LYS 3 -1.928 7.373 -5.122 19 HG3 LYS 3 HG1 LYS 3 -2.519 8.835 -5.905 20 HD2 LYS 3 HD2 LYS 3 -2.194 7.755 -8.124 21 HD3 LYS 3 HD1 LYS 3 -1.662 6.285 -7.315 22 HE2 LYS 3 HE2 LYS 3 -3.830 6.049 -6.219 23 HE3 LYS 3 HE1 LYS 3 -4.364 7.594 -6.867 24 HZ1 LYS 3 HZ1 LYS 3 -5.067 5.457 -8.049 25 HZ2 LYS 3 HZ2 LYS 3 -3.488 5.439 -8.671 26 HZ3 LYS 3 HZ3 LYS 3 -4.511 6.754 -8.994 27 H GLU 4 HN GLU 4 -0.044 11.121 -6.442 28 HA GLU 4 HA GLU 4 -1.011 13.250 -6.340 29 HB2 GLU 4 HB2 GLU 4 -3.034 11.602 -6.353 30 HB3 GLU 4 HB1 GLU 4 -3.145 11.908 -4.624 31 HG2 GLU 4 HG2 GLU 4 -3.419 14.308 -5.026 32 HG3 GLU 4 HG1 GLU 4 -3.186 14.073 -6.756 33 H ASP 5 HN ASP 5 0.616 14.139 -5.015 34 HA ASP 5 HA ASP 5 -0.398 15.149 -2.484 35 HB2 ASP 5 HB2 ASP 5 1.448 14.153 -1.099 36 HB3 ASP 5 HB1 ASP 5 0.423 12.895 -1.786 37 H SER 6 HN SER 6 0.862 16.841 -1.653 38 HA SER 6 HA SER 6 2.537 18.137 -3.676 39 HB2 SER 6 HB2 SER 6 1.785 18.961 -0.816 40 HB3 SER 6 HB1 SER 6 2.568 20.018 -2.007 41 HG SER 6 HG SER 6 0.806 19.665 -3.387 42 H PHE 7 HN PHE 7 4.521 19.374 -2.590 43 HA PHE 7 HA PHE 7 6.040 17.523 -0.836 44 HB2 PHE 7 HB2 PHE 7 6.826 18.349 -3.670 45 HB3 PHE 7 HB1 PHE 7 8.009 17.757 -2.507 46 HD1 PHE 7 HD1 PHE 7 7.950 15.417 -1.745 47 HD2 PHE 7 HD2 PHE 7 5.104 16.852 -4.575 48 HE1 PHE 7 HE1 PHE 7 7.319 13.107 -2.291 49 HE2 PHE 7 HE2 PHE 7 4.482 14.540 -5.113 50 HZ PHE 7 HZ PHE 7 5.586 12.668 -3.973 51 H GLU 8 HN GLU 8 8.160 18.496 -0.214 52 HA GLU 8 HA GLU 8 8.003 21.490 -0.194 53 HB2 GLU 8 HB2 GLU 8 9.182 21.102 2.158 54 HB3 GLU 8 HB1 GLU 8 7.433 20.934 2.040 55 HG2 GLU 8 HG2 GLU 8 7.706 18.484 1.714 56 HG3 GLU 8 HG1 GLU 8 9.450 18.668 1.883 57 H MET 9 HN MET 9 9.846 22.544 -0.620 58 HA MET 9 HA MET 9 12.450 21.259 -0.309 59 HB2 MET 9 HB2 MET 9 11.411 20.419 -2.544 60 HB3 MET 9 HB1 MET 9 11.596 22.071 -3.123 61 HG2 MET 9 HG2 MET 9 13.540 20.798 -3.780 62 HG3 MET 9 HG1 MET 9 14.000 21.980 -2.585 63 HE1 MET 9 HE1 MET 9 15.756 19.278 -3.594 64 HE2 MET 9 HE2 MET 9 16.612 19.316 -2.052 65 HE3 MET 9 HE3 MET 9 16.144 20.824 -2.838 66 H GLU 10 HN GLU 10 13.982 22.763 -0.005 67 HA GLU 10 HA GLU 10 13.173 25.571 -0.065 68 HB2 GLU 10 HB2 GLU 10 15.998 24.552 0.432 69 HB3 GLU 10 HB1 GLU 10 15.211 25.963 1.131 70 HG2 GLU 10 HG2 GLU 10 13.755 24.564 2.478 71 HG3 GLU 10 HG1 GLU 10 14.324 23.109 1.666 72 H GLY 11 HN GLY 11 14.137 27.212 -1.276 73 HA2 GLY 11 HA2 GLY 11 16.128 26.574 -3.337 74 HA3 GLY 11 HA1 GLY 11 14.514 26.860 -3.992 75 H THR 12 HN THR 12 16.539 28.553 -4.725 76 HA THR 12 HA THR 12 16.251 30.964 -2.983 77 HB THR 12 HB THR 12 18.042 30.659 -5.473 78 HG1 THR 12 HG1 THR 12 18.414 28.988 -3.977 79 HG21 THR 12 HG21 THR 12 18.438 32.865 -4.745 80 HG22 THR 12 HG22 THR 12 19.398 32.068 -3.502 81 HG23 THR 12 HG23 THR 12 17.742 32.558 -3.158 82 H VAL 13 HN VAL 13 15.563 32.946 -3.844 83 HA VAL 13 HA VAL 13 13.801 32.601 -6.288 84 HB VAL 13 HB VAL 13 13.877 34.821 -4.197 85 HG11 VAL 13 HG11 VAL 13 12.979 35.697 -6.244 86 HG12 VAL 13 HG12 VAL 13 11.591 35.308 -5.230 87 HG13 VAL 13 HG13 VAL 13 12.043 34.238 -6.552 88 HG21 VAL 13 HG21 VAL 13 11.835 32.571 -4.645 89 HG22 VAL 13 HG22 VAL 13 11.893 33.691 -3.287 90 HG23 VAL 13 HG23 VAL 13 13.137 32.459 -3.464 91 H VAL 14 HN VAL 14 14.790 33.210 -8.203 92 HA VAL 14 HA VAL 14 15.624 35.983 -8.318 93 HB VAL 14 HB VAL 14 17.660 34.473 -9.634 94 HG11 VAL 14 HG11 VAL 14 17.808 36.758 -8.609 95 HG12 VAL 14 HG12 VAL 14 19.132 35.698 -8.139 96 HG13 VAL 14 HG13 VAL 14 17.798 35.986 -7.027 97 HG21 VAL 14 HG21 VAL 14 16.919 32.629 -8.082 98 HG22 VAL 14 HG22 VAL 14 17.379 33.675 -6.743 99 HG23 VAL 14 HG23 VAL 14 18.600 33.119 -7.882 100 H ASP 15 HN ASP 15 13.815 35.956 -9.564 101 HA ASP 15 HA ASP 15 14.195 36.165 -12.316 102 HB2 ASP 15 HB2 ASP 15 13.311 33.478 -11.332 103 HB3 ASP 15 HB1 ASP 15 12.408 34.143 -12.694 104 H THR 16 HN THR 16 12.478 37.383 -13.096 105 HA THR 16 HA THR 16 10.199 37.742 -11.156 106 HB THR 16 HB THR 16 11.512 39.833 -11.616 107 HG1 THR 16 HG1 THR 16 8.918 39.340 -12.246 108 HG21 THR 16 HG21 THR 16 10.504 39.682 -14.489 109 HG22 THR 16 HG22 THR 16 12.052 38.939 -14.098 110 HG23 THR 16 HG23 THR 16 11.816 40.667 -13.849 111 H LEU 17 HN LEU 17 8.123 37.791 -11.831 112 HA LEU 17 HA LEU 17 7.587 36.979 -14.631 113 HB2 LEU 17 HB2 LEU 17 6.551 35.782 -12.050 114 HB3 LEU 17 HB1 LEU 17 5.768 35.484 -13.589 115 HG LEU 17 HG LEU 17 8.666 34.888 -12.933 116 HD11 LEU 17 HD21 LEU 17 6.232 33.165 -13.379 117 HD12 LEU 17 HD22 LEU 17 7.188 33.295 -11.908 118 HD13 LEU 17 HD23 LEU 17 7.877 32.543 -13.340 119 HD21 LEU 17 HD11 LEU 17 8.819 35.229 -15.205 120 HD22 LEU 17 HD12 LEU 17 7.096 34.984 -15.461 121 HD23 LEU 17 HD13 LEU 17 8.164 33.598 -15.254 122 HA PRO 18 HA PRO 18 4.287 39.898 -14.107 123 HB2 PRO 18 HB2 PRO 18 2.506 38.997 -16.071 124 HB3 PRO 18 HB1 PRO 18 3.985 39.894 -16.422 125 HG2 PRO 18 HG2 PRO 18 3.401 37.059 -16.960 126 HG3 PRO 18 HG1 PRO 18 4.775 38.017 -17.515 127 HD2 PRO 18 HD1 PRO 18 4.675 36.094 -15.317 128 HD3 PRO 18 HD2 PRO 18 6.081 36.923 -15.994 129 H ASN 19 HN ASN 19 2.040 40.242 -13.591 130 HA ASN 19 HA ASN 19 -0.020 39.709 -12.615 131 HB2 ASN 19 HB2 ASN 19 0.569 36.742 -12.654 132 HB3 ASN 19 HB1 ASN 19 -0.940 37.575 -12.998 133 HD21 ASN 19 HD21 ASN 19 -0.244 39.354 -15.003 134 HD22 ASN 19 HD22 ASN 19 0.318 38.513 -16.366 135 H THR 20 HN THR 20 2.606 39.976 -11.346 136 HA THR 20 HA THR 20 3.453 39.955 -9.179 137 HB THR 20 HB THR 20 0.868 38.613 -8.228 138 HG1 THR 20 HG1 THR 20 1.103 41.375 -8.627 139 HG21 THR 20 HG21 THR 20 2.713 40.865 -7.241 140 HG22 THR 20 HG22 THR 20 2.490 39.298 -6.470 141 HG23 THR 20 HG23 THR 20 1.178 40.473 -6.471 142 H MET 21 HN MET 21 4.613 38.130 -10.503 143 HA MET 21 HA MET 21 4.472 35.710 -8.724 144 HB2 MET 21 HB2 MET 21 4.368 35.862 -11.759 145 HB3 MET 21 HB1 MET 21 5.023 34.430 -10.969 146 HG2 MET 21 HG2 MET 21 2.362 35.587 -10.168 147 HG3 MET 21 HG1 MET 21 2.485 34.511 -11.535 148 HE1 MET 21 HE1 MET 21 2.033 32.134 -11.426 149 HE2 MET 21 HE2 MET 21 0.709 33.059 -10.719 150 HE3 MET 21 HE3 MET 21 1.232 31.551 -9.968 151 H PHE 22 HN PHE 22 6.394 34.334 -8.950 152 HA PHE 22 HA PHE 22 8.826 35.628 -9.987 153 HB2 PHE 22 HB2 PHE 22 8.773 34.753 -7.067 154 HB3 PHE 22 HB1 PHE 22 9.889 35.867 -7.855 155 HD1 PHE 22 HD1 PHE 22 9.165 38.190 -8.379 156 HD2 PHE 22 HD2 PHE 22 6.601 35.520 -6.263 157 HE1 PHE 22 HE1 PHE 22 7.767 40.082 -7.673 158 HE2 PHE 22 HE2 PHE 22 5.213 37.420 -5.562 159 HZ PHE 22 HZ PHE 22 5.792 39.698 -6.269 160 H ARG 23 HN ARG 23 10.666 34.105 -9.851 161 HA ARG 23 HA ARG 23 9.705 31.274 -9.668 162 HB2 ARG 23 HB2 ARG 23 10.249 31.443 -11.908 163 HB3 ARG 23 HB1 ARG 23 11.344 32.755 -11.635 164 HG2 ARG 23 HG2 ARG 23 13.124 31.327 -11.017 165 HG3 ARG 23 HG1 ARG 23 12.036 29.996 -10.662 166 HD2 ARG 23 HD2 ARG 23 13.422 30.004 -12.920 167 HD3 ARG 23 HD1 ARG 23 11.746 29.457 -12.925 168 HE ARG 23 HE ARG 23 11.805 32.282 -13.388 169 HH11 ARG 23 HH11 ARG 23 14.056 31.217 -15.116 170 HH12 ARG 23 HH12 ARG 23 13.233 30.896 -16.606 171 HH21 ARG 23 HH21 ARG 23 10.062 31.035 -15.118 172 HH22 ARG 23 HH22 ARG 23 10.913 30.791 -16.606 173 H VAL 24 HN VAL 24 10.930 29.746 -8.699 174 HA VAL 24 HA VAL 24 13.312 30.782 -7.279 175 HB VAL 24 HB VAL 24 11.347 30.340 -5.783 176 HG11 VAL 24 HG21 VAL 24 11.648 27.421 -6.208 177 HG12 VAL 24 HG22 VAL 24 10.760 28.318 -7.433 178 HG13 VAL 24 HG23 VAL 24 10.224 28.352 -5.757 179 HG21 VAL 24 HG11 VAL 24 13.886 28.746 -5.604 180 HG22 VAL 24 HG12 VAL 24 12.632 28.477 -4.400 181 HG23 VAL 24 HG13 VAL 24 13.339 30.076 -4.589 182 H GLU 25 HN GLU 25 15.105 29.558 -7.314 183 HA GLU 25 HA GLU 25 14.966 27.298 -9.262 184 HB2 GLU 25 HB2 GLU 25 17.257 28.996 -8.140 185 HB3 GLU 25 HB1 GLU 25 17.521 27.589 -9.166 186 HG2 GLU 25 HG2 GLU 25 15.820 28.725 -10.783 187 HG3 GLU 25 HG1 GLU 25 16.146 30.187 -9.857 188 H LEU 26 HN LEU 26 15.299 25.450 -8.807 189 HA LEU 26 HA LEU 26 16.422 24.529 -6.238 190 HB2 LEU 26 HB2 LEU 26 14.184 23.128 -7.809 191 HB3 LEU 26 HB1 LEU 26 14.724 22.773 -6.182 192 HG LEU 26 HG LEU 26 13.992 25.531 -6.253 193 HD11 LEU 26 HD21 LEU 26 11.520 25.141 -6.807 194 HD12 LEU 26 HD22 LEU 26 12.035 23.654 -7.591 195 HD13 LEU 26 HD23 LEU 26 12.623 25.206 -8.182 196 HD21 LEU 26 HD11 LEU 26 12.427 24.836 -4.526 197 HD22 LEU 26 HD12 LEU 26 13.894 23.881 -4.339 198 HD23 LEU 26 HD13 LEU 26 12.470 23.169 -5.094 199 H GLU 27 HN GLU 27 17.552 25.343 -8.585 200 HA GLU 27 HA GLU 27 18.055 23.804 -10.753 201 HB2 GLU 27 HB2 GLU 27 20.389 24.669 -10.684 202 HB3 GLU 27 HB1 GLU 27 19.240 25.921 -10.227 203 HG2 GLU 27 HG2 GLU 27 19.650 25.269 -7.799 204 HG3 GLU 27 HG1 GLU 27 20.969 24.251 -8.377 205 H ASN 28 HN ASN 28 18.316 22.614 -7.690 206 HA ASN 28 HA ASN 28 20.548 20.848 -8.153 207 HB2 ASN 28 HB2 ASN 28 18.142 20.844 -6.243 208 HB3 ASN 28 HB1 ASN 28 19.280 19.500 -6.269 209 HD21 ASN 28 HD21 ASN 28 21.612 20.062 -5.798 210 HD22 ASN 28 HD22 ASN 28 21.949 21.391 -4.799 211 H GLY 29 HN GLY 29 18.438 21.321 -10.150 212 HA2 GLY 29 HA2 GLY 29 18.057 19.696 -11.945 213 HA3 GLY 29 HA1 GLY 29 17.537 18.569 -10.696 214 H HIS 30 HN HIS 30 16.277 21.387 -9.545 215 HA HIS 30 HA HIS 30 13.792 21.164 -11.229 216 HB2 HIS 30 HB2 HIS 30 14.176 20.990 -8.264 217 HB3 HIS 30 HB1 HIS 30 12.738 21.842 -8.826 218 HD1 HIS 30 HD1 HIS 30 11.352 20.359 -10.571 219 HD2 HIS 30 HD2 HIS 30 13.972 18.262 -8.301 220 HE1 HIS 30 HE1 HIS 30 10.636 18.056 -10.780 221 H VAL 31 HN VAL 31 12.730 22.967 -11.802 222 HA VAL 31 HA VAL 31 13.574 25.645 -10.650 223 HB VAL 31 HB VAL 31 13.484 24.656 -13.519 224 HG11 VAL 31 HG21 VAL 31 12.562 27.398 -12.629 225 HG12 VAL 31 HG22 VAL 31 11.699 26.261 -13.662 226 HG13 VAL 31 HG23 VAL 31 13.141 27.074 -14.259 227 HG21 VAL 31 HG11 VAL 31 15.103 26.605 -11.877 228 HG22 VAL 31 HG12 VAL 31 15.254 26.540 -13.630 229 HG23 VAL 31 HG13 VAL 31 15.649 25.126 -12.661 230 H VAL 32 HN VAL 32 11.668 26.981 -10.193 231 HA VAL 32 HA VAL 32 9.111 26.080 -11.431 232 HB VAL 32 HB VAL 32 9.373 26.404 -8.488 233 HG11 VAL 32 HG21 VAL 32 7.282 24.866 -8.746 234 HG12 VAL 32 HG22 VAL 32 7.275 25.524 -10.371 235 HG13 VAL 32 HG23 VAL 32 7.138 26.601 -8.993 236 HG21 VAL 32 HG11 VAL 32 9.440 23.850 -10.088 237 HG22 VAL 32 HG12 VAL 32 9.363 23.934 -8.333 238 HG23 VAL 32 HG13 VAL 32 10.789 24.513 -9.178 239 H THR 33 HN THR 33 7.286 27.328 -10.520 240 HA THR 33 HA THR 33 8.024 30.206 -10.433 241 HB THR 33 HB THR 33 5.761 28.698 -11.753 242 HG1 THR 33 HG1 THR 33 7.083 29.412 -13.237 243 HG21 THR 33 HG21 THR 33 4.632 30.962 -12.040 244 HG22 THR 33 HG22 THR 33 5.778 31.642 -10.889 245 HG23 THR 33 HG23 THR 33 4.605 30.440 -10.357 246 H ALA 34 HN ALA 34 7.310 31.348 -8.679 247 HA ALA 34 HA ALA 34 5.340 29.933 -6.914 248 HB1 ALA 34 HB1 ALA 34 7.568 29.666 -5.927 249 HB2 ALA 34 HB2 ALA 34 6.685 30.851 -4.973 250 HB3 ALA 34 HB3 ALA 34 7.906 31.383 -6.123 251 H HIS 35 HN HIS 35 4.662 31.472 -5.113 252 HA HIS 35 HA HIS 35 4.411 34.268 -6.037 253 HB2 HIS 35 HB2 HIS 35 2.490 32.865 -7.023 254 HB3 HIS 35 HB1 HIS 35 1.965 32.547 -5.373 255 HD1 HIS 35 HD1 HIS 35 1.825 34.996 -4.054 256 HD2 HIS 35 HD2 HIS 35 1.219 35.035 -8.062 257 HE1 HIS 35 HE1 HIS 35 0.653 37.072 -4.479 258 H ILE 36 HN ILE 36 4.024 35.660 -4.336 259 HA ILE 36 HA ILE 36 4.437 34.475 -1.671 260 HB ILE 36 HB ILE 36 5.667 36.539 -2.460 261 HG12 ILE 36 HG12 ILE 36 3.800 36.883 -0.088 262 HG13 ILE 36 HG11 ILE 36 5.415 36.184 -0.063 263 HG21 ILE 36 HG21 ILE 36 3.087 38.075 -2.020 264 HG22 ILE 36 HG22 ILE 36 3.372 37.333 -3.591 265 HG23 ILE 36 HG23 ILE 36 4.494 38.539 -2.970 266 HD11 ILE 36 HD11 ILE 36 4.635 39.060 -0.585 267 HD12 ILE 36 HD12 ILE 36 6.220 38.435 -1.031 268 HD13 ILE 36 HD13 ILE 36 5.715 38.436 0.656 269 H SER 37 HN SER 37 2.880 34.176 -0.219 270 HA SER 37 HA SER 37 0.129 34.577 -0.879 271 HB2 SER 37 HB2 SER 37 1.307 34.192 1.922 272 HB3 SER 37 HB1 SER 37 -0.302 33.701 1.359 273 HG SER 37 HG SER 37 2.076 32.443 1.066 274 H GLY 38 HN GLY 38 -1.355 35.762 0.728 275 HA2 GLY 38 HA2 GLY 38 -0.547 38.572 0.690 276 HA3 GLY 38 HA1 GLY 38 -2.110 37.955 1.217 277 H LYS 39 HN LYS 39 -0.487 36.007 2.958 278 HA LYS 39 HA LYS 39 -0.609 37.629 5.341 279 HB2 LYS 39 HB2 LYS 39 -1.024 35.092 5.154 280 HB3 LYS 39 HB1 LYS 39 0.723 34.903 5.028 281 HG2 LYS 39 HG2 LYS 39 0.836 36.317 7.197 282 HG3 LYS 39 HG1 LYS 39 -0.883 35.974 7.354 283 HD2 LYS 39 HD2 LYS 39 1.165 33.787 6.923 284 HD3 LYS 39 HD1 LYS 39 0.704 34.338 8.531 285 HE2 LYS 39 HE2 LYS 39 -0.812 32.589 8.194 286 HE3 LYS 39 HE1 LYS 39 -1.750 33.971 7.640 287 HZ1 LYS 39 HZ1 LYS 39 -0.756 31.730 6.164 288 HZ2 LYS 39 HZ2 LYS 39 -0.372 33.214 5.432 289 HZ3 LYS 39 HZ3 LYS 39 -1.991 32.828 5.772 290 H MET 40 HN MET 40 2.108 35.922 3.775 291 HA MET 40 HA MET 40 4.111 37.168 5.410 292 HB2 MET 40 HB2 MET 40 4.340 36.025 2.578 293 HB3 MET 40 HB1 MET 40 5.690 36.320 3.668 294 HG2 MET 40 HG2 MET 40 3.403 34.389 4.079 295 HG3 MET 40 HG1 MET 40 5.062 33.973 3.745 296 HE1 MET 40 HE1 MET 40 5.776 32.443 5.454 297 HE2 MET 40 HE2 MET 40 4.035 32.269 5.685 298 HE3 MET 40 HE3 MET 40 5.100 32.409 7.083 299 H ARG 41 HN ARG 41 2.313 38.278 2.719 300 HA ARG 41 HA ARG 41 4.209 40.220 1.787 301 HB2 ARG 41 HB2 ARG 41 2.512 39.561 0.239 302 HB3 ARG 41 HB1 ARG 41 1.240 39.693 1.445 303 HG2 ARG 41 HG2 ARG 41 1.149 41.555 -0.155 304 HG3 ARG 41 HG1 ARG 41 1.496 42.137 1.463 305 HD2 ARG 41 HD2 ARG 41 3.707 42.658 0.940 306 HD3 ARG 41 HD1 ARG 41 3.805 41.427 -0.316 307 HE ARG 41 HE ARG 41 3.119 43.083 -1.839 308 HH11 ARG 41 HH11 ARG 41 3.418 44.655 0.994 309 HH12 ARG 41 HH12 ARG 41 2.128 45.789 0.771 310 HH21 ARG 41 HH21 ARG 41 0.869 44.110 -2.037 311 HH22 ARG 41 HH22 ARG 41 0.646 45.472 -0.991 312 H LYS 42 HN LYS 42 1.265 40.428 3.750 313 HA LYS 42 HA LYS 42 1.762 43.195 4.402 314 HB2 LYS 42 HB2 LYS 42 -0.519 42.015 4.157 315 HB3 LYS 42 HB1 LYS 42 -0.191 41.271 5.720 316 HG2 LYS 42 HG2 LYS 42 0.229 43.613 6.598 317 HG3 LYS 42 HG1 LYS 42 -0.443 44.204 5.086 318 HD2 LYS 42 HD2 LYS 42 -2.540 42.993 5.519 319 HD3 LYS 42 HD1 LYS 42 -1.868 42.332 7.006 320 HE2 LYS 42 HE2 LYS 42 -2.304 45.280 6.417 321 HE3 LYS 42 HE1 LYS 42 -3.288 44.294 7.491 322 HZ1 LYS 42 HZ1 LYS 42 -0.647 43.965 8.274 323 HZ2 LYS 42 HZ2 LYS 42 -1.888 44.770 9.106 324 HZ3 LYS 42 HZ3 LYS 42 -0.880 45.631 8.045 325 H ASN 43 HN ASN 43 2.379 40.085 5.870 326 HA ASN 43 HA ASN 43 2.979 41.310 8.483 327 HB2 ASN 43 HB2 ASN 43 3.260 38.460 7.410 328 HB3 ASN 43 HB1 ASN 43 3.634 38.920 9.068 329 HD21 ASN 43 HD21 ASN 43 1.050 40.729 7.667 330 HD22 ASN 43 HD22 ASN 43 -0.230 39.901 8.414 331 H TYR 44 HN TYR 44 4.582 41.486 5.732 332 HA TYR 44 HA TYR 44 7.101 41.959 7.027 333 HB2 TYR 44 HB2 TYR 44 6.920 39.368 6.805 334 HB3 TYR 44 HB1 TYR 44 7.121 39.628 5.073 335 HD1 TYR 44 HD1 TYR 44 8.693 40.656 8.319 336 HD2 TYR 44 HD2 TYR 44 9.302 39.694 4.221 337 HE1 TYR 44 HE1 TYR 44 11.118 40.848 8.633 338 HE2 TYR 44 HE2 TYR 44 11.725 39.884 4.535 339 HH TYR 44 HH TYR 44 13.322 39.599 6.733 340 H ILE 45 HN ILE 45 8.408 43.198 5.805 341 HA ILE 45 HA ILE 45 7.432 44.598 3.615 342 HB ILE 45 HB ILE 45 9.766 44.574 5.158 343 HG12 ILE 45 HG12 ILE 45 9.043 46.131 2.672 344 HG13 ILE 45 HG11 ILE 45 8.745 46.576 4.347 345 HG21 ILE 45 HG21 ILE 45 10.744 42.923 3.461 346 HG22 ILE 45 HG22 ILE 45 11.654 44.429 3.568 347 HG23 ILE 45 HG23 ILE 45 10.553 44.158 2.219 348 HD11 ILE 45 HD11 ILE 45 10.680 47.818 3.789 349 HD12 ILE 45 HD12 ILE 45 11.375 46.491 2.863 350 HD13 ILE 45 HD13 ILE 45 11.330 46.410 4.622 351 H ARG 46 HN ARG 46 8.422 44.607 1.384 352 HA ARG 46 HA ARG 46 7.723 42.252 0.009 353 HB2 ARG 46 HB2 ARG 46 9.710 44.430 -0.812 354 HB3 ARG 46 HB1 ARG 46 8.941 43.296 -1.918 355 HG2 ARG 46 HG2 ARG 46 6.701 44.158 -1.112 356 HG3 ARG 46 HG1 ARG 46 7.566 45.399 -0.215 357 HD2 ARG 46 HD2 ARG 46 6.933 46.366 -2.338 358 HD3 ARG 46 HD1 ARG 46 8.669 46.070 -2.405 359 HE ARG 46 HE ARG 46 6.609 44.386 -3.759 360 HH11 ARG 46 HH21 ARG 46 8.911 46.311 -4.758 361 HH12 ARG 46 HH22 ARG 46 9.983 45.134 -5.440 362 HH21 ARG 46 HH11 ARG 46 8.327 42.446 -3.917 363 HH22 ARG 46 HH12 ARG 46 9.645 42.888 -4.951 364 H ILE 47 HN ILE 47 9.200 40.922 -1.357 365 HA ILE 47 HA ILE 47 11.427 39.958 0.346 366 HB ILE 47 HB ILE 47 10.225 38.774 -2.204 367 HG12 ILE 47 HG12 ILE 47 9.621 38.227 0.725 368 HG13 ILE 47 HG11 ILE 47 8.521 38.928 -0.456 369 HG21 ILE 47 HG21 ILE 47 11.357 36.715 -1.448 370 HG22 ILE 47 HG22 ILE 47 11.861 37.496 0.047 371 HG23 ILE 47 HG23 ILE 47 12.553 38.007 -1.490 372 HD11 ILE 47 HD11 ILE 47 7.880 36.667 -0.477 373 HD12 ILE 47 HD12 ILE 47 9.533 36.096 -0.267 374 HD13 ILE 47 HD13 ILE 47 9.013 36.736 -1.823 375 H LEU 48 HN LEU 48 13.542 39.854 -0.327 376 HA LEU 48 HA LEU 48 14.244 41.663 -2.545 377 HB2 LEU 48 HB2 LEU 48 15.742 40.238 -0.325 378 HB3 LEU 48 HB1 LEU 48 16.647 40.886 -1.690 379 HG LEU 48 HG LEU 48 15.731 43.119 -1.293 380 HD11 LEU 48 HD11 LEU 48 13.513 42.673 -0.536 381 HD12 LEU 48 HD12 LEU 48 14.324 43.390 0.853 382 HD13 LEU 48 HD13 LEU 48 14.085 41.647 0.777 383 HD21 LEU 48 HD21 LEU 48 16.562 41.987 1.392 384 HD22 LEU 48 HD22 LEU 48 16.843 43.613 0.777 385 HD23 LEU 48 HD23 LEU 48 17.706 42.245 0.079 386 H THR 49 HN THR 49 16.169 40.904 -3.955 387 HA THR 49 HA THR 49 15.232 38.504 -5.363 388 HB THR 49 HB THR 49 17.756 40.234 -5.812 389 HG1 THR 49 HG1 THR 49 15.625 40.431 -7.488 390 HG21 THR 49 HG21 THR 49 18.129 38.604 -7.445 391 HG22 THR 49 HG22 THR 49 16.714 39.279 -8.244 392 HG23 THR 49 HG23 THR 49 16.542 37.886 -7.182 393 H GLY 50 HN GLY 50 15.839 36.668 -5.179 394 HA2 GLY 50 HA2 GLY 50 17.064 34.732 -4.729 395 HA3 GLY 50 HA1 GLY 50 18.459 35.751 -4.388 396 H ASP 51 HN ASP 51 15.391 34.740 -3.213 397 HA ASP 51 HA ASP 51 16.279 35.223 -0.425 398 HB2 ASP 51 HB2 ASP 51 13.680 35.421 -1.880 399 HB3 ASP 51 HB1 ASP 51 13.577 34.617 -0.317 400 H LYS 52 HN LYS 52 16.838 33.346 0.672 401 HA LYS 52 HA LYS 52 16.250 30.896 -0.811 402 HB2 LYS 52 HB2 LYS 52 17.583 31.609 1.840 403 HB3 LYS 52 HB1 LYS 52 16.960 29.972 1.682 404 HG2 LYS 52 HG2 LYS 52 18.227 29.990 -0.620 405 HG3 LYS 52 HG1 LYS 52 19.123 31.331 0.083 406 HD2 LYS 52 HD2 LYS 52 18.788 28.620 1.409 407 HD3 LYS 52 HD1 LYS 52 20.208 29.099 0.484 408 HE2 LYS 52 HE2 LYS 52 20.287 31.157 2.071 409 HE3 LYS 52 HE1 LYS 52 19.201 30.229 3.097 410 HZ1 LYS 52 HZ1 LYS 52 21.368 29.767 3.823 411 HZ2 LYS 52 HZ2 LYS 52 21.941 29.514 2.245 412 HZ3 LYS 52 HZ3 LYS 52 20.879 28.394 2.952 413 H VAL 53 HN VAL 53 14.213 30.217 -0.869 414 HA VAL 53 HA VAL 53 12.541 30.565 1.604 415 HB VAL 53 HB VAL 53 10.617 30.903 0.110 416 HG11 VAL 53 HG21 VAL 53 12.889 32.633 0.337 417 HG12 VAL 53 HG22 VAL 53 11.207 33.087 0.089 418 HG13 VAL 53 HG23 VAL 53 12.254 32.799 -1.294 419 HG21 VAL 53 HG11 VAL 53 11.075 29.562 -1.782 420 HG22 VAL 53 HG12 VAL 53 12.704 30.205 -1.960 421 HG23 VAL 53 HG13 VAL 53 11.315 31.188 -2.409 422 H ARG 54 HN ARG 54 10.629 29.212 1.756 423 HA ARG 54 HA ARG 54 11.420 26.425 0.953 424 HB2 ARG 54 HB2 ARG 54 10.814 27.167 3.403 425 HB3 ARG 54 HB1 ARG 54 9.150 27.240 2.832 426 HG2 ARG 54 HG2 ARG 54 9.230 24.884 2.187 427 HG3 ARG 54 HG1 ARG 54 10.941 24.797 2.595 428 HD2 ARG 54 HD2 ARG 54 10.486 25.144 4.935 429 HD3 ARG 54 HD1 ARG 54 8.807 25.568 4.610 430 HE ARG 54 HE ARG 54 8.420 23.195 4.004 431 HH11 ARG 54 HH11 ARG 54 11.082 22.228 3.408 432 HH12 ARG 54 HH12 ARG 54 11.581 21.434 4.864 433 HH21 ARG 54 HH21 ARG 54 9.124 23.011 6.805 434 HH22 ARG 54 HH22 ARG 54 10.444 21.889 6.839 435 H VAL 55 HN VAL 55 10.512 25.809 -0.903 436 HA VAL 55 HA VAL 55 7.925 26.994 -1.673 437 HB VAL 55 HB VAL 55 9.692 25.229 -3.384 438 HG11 VAL 55 HG11 VAL 55 7.516 27.272 -3.870 439 HG12 VAL 55 HG12 VAL 55 7.564 25.591 -4.390 440 HG13 VAL 55 HG13 VAL 55 8.619 26.778 -5.151 441 HG21 VAL 55 HG21 VAL 55 10.942 27.121 -4.094 442 HG22 VAL 55 HG22 VAL 55 10.905 27.266 -2.344 443 HG23 VAL 55 HG23 VAL 55 9.829 28.250 -3.330 444 H GLU 56 HN GLU 56 6.221 25.823 -2.381 445 HA GLU 56 HA GLU 56 6.234 22.933 -1.640 446 HB2 GLU 56 HB2 GLU 56 3.991 25.006 -1.391 447 HB3 GLU 56 HB1 GLU 56 3.822 23.295 -1.014 448 HG2 GLU 56 HG2 GLU 56 5.848 25.117 0.325 449 HG3 GLU 56 HG1 GLU 56 4.266 24.750 1.006 450 H LEU 57 HN LEU 57 5.930 21.730 -3.372 451 HA LEU 57 HA LEU 57 4.777 23.014 -5.781 452 HB2 LEU 57 HB2 LEU 57 5.856 20.173 -5.546 453 HB3 LEU 57 HB1 LEU 57 5.774 21.183 -6.982 454 HG LEU 57 HG LEU 57 7.277 22.736 -5.271 455 HD11 LEU 57 HD11 LEU 57 8.981 21.237 -4.320 456 HD12 LEU 57 HD12 LEU 57 8.109 19.835 -4.931 457 HD13 LEU 57 HD13 LEU 57 7.396 20.834 -3.668 458 HD21 LEU 57 HD21 LEU 57 7.644 22.162 -7.706 459 HD22 LEU 57 HD22 LEU 57 8.366 20.644 -7.180 460 HD23 LEU 57 HD23 LEU 57 9.119 22.175 -6.745 461 H THR 58 HN THR 58 3.002 22.233 -6.846 462 HA THR 58 HA THR 58 1.240 20.532 -5.143 463 HB THR 58 HB THR 58 -0.621 21.675 -6.253 464 HG1 THR 58 HG1 THR 58 1.256 22.922 -7.942 465 HG21 THR 58 HG21 THR 58 1.729 23.665 -6.094 466 HG22 THR 58 HG22 THR 58 0.758 23.199 -4.701 467 HG23 THR 58 HG23 THR 58 0.021 24.092 -6.028 468 HA PRO 59 HA PRO 59 1.505 17.190 -7.989 469 HB2 PRO 59 HB2 PRO 59 -1.243 16.367 -7.635 470 HB3 PRO 59 HB1 PRO 59 0.182 15.684 -6.849 471 HG2 PRO 59 HG2 PRO 59 -1.865 17.422 -5.687 472 HG3 PRO 59 HG1 PRO 59 -0.537 16.599 -4.866 473 HD2 PRO 59 HD1 PRO 59 -0.735 19.399 -5.420 474 HD3 PRO 59 HD2 PRO 59 0.666 18.532 -4.762 475 H TYR 60 HN TYR 60 -0.952 19.621 -8.187 476 HA TYR 60 HA TYR 60 -2.142 18.765 -10.667 477 HB2 TYR 60 HB2 TYR 60 -2.772 20.677 -8.841 478 HB3 TYR 60 HB1 TYR 60 -1.944 21.695 -10.015 479 HD1 TYR 60 HD2 TYR 60 -4.613 19.089 -9.767 480 HD2 TYR 60 HD1 TYR 60 -3.090 22.404 -11.952 481 HE1 TYR 60 HE2 TYR 60 -6.607 19.066 -11.191 482 HE2 TYR 60 HE1 TYR 60 -5.085 22.379 -13.376 483 HH TYR 60 HH TYR 60 -6.872 21.116 -14.021 484 H ASP 61 HN ASP 61 0.791 20.390 -9.861 485 HA ASP 61 HA ASP 61 1.983 20.049 -12.380 486 HB2 ASP 61 HB2 ASP 61 1.818 22.714 -12.911 487 HB3 ASP 61 HB1 ASP 61 0.639 21.571 -13.549 488 H LEU 62 HN LEU 62 3.578 19.623 -10.722 489 HA LEU 62 HA LEU 62 4.612 21.303 -8.816 490 HB2 LEU 62 HB2 LEU 62 6.124 19.577 -10.830 491 HB3 LEU 62 HB1 LEU 62 6.871 20.272 -9.394 492 HG LEU 62 HG LEU 62 4.572 19.123 -8.372 493 HD11 LEU 62 HD11 LEU 62 3.996 17.975 -10.400 494 HD12 LEU 62 HD12 LEU 62 4.690 16.768 -9.321 495 HD13 LEU 62 HD13 LEU 62 5.654 17.432 -10.637 496 HD21 LEU 62 HD21 LEU 62 6.867 19.009 -7.433 497 HD22 LEU 62 HD22 LEU 62 7.314 17.851 -8.681 498 HD23 LEU 62 HD23 LEU 62 6.116 17.417 -7.467 499 H SER 63 HN SER 63 4.743 21.794 -12.249 500 HA SER 63 HA SER 63 6.938 23.590 -12.412 501 HB2 SER 63 HB2 SER 63 5.748 24.483 -14.438 502 HB3 SER 63 HB1 SER 63 5.542 22.721 -14.391 503 HG SER 63 HG SER 63 3.563 23.015 -13.376 504 H LYS 64 HN LYS 64 4.274 23.763 -10.513 505 HA LYS 64 HA LYS 64 4.664 26.690 -10.107 506 HB2 LYS 64 HB2 LYS 64 1.918 25.307 -10.105 507 HB3 LYS 64 HB1 LYS 64 2.229 27.033 -9.987 508 HG2 LYS 64 HG2 LYS 64 2.936 27.173 -12.256 509 HG3 LYS 64 HG1 LYS 64 3.125 25.434 -12.388 510 HD2 LYS 64 HD2 LYS 64 0.831 25.046 -12.536 511 HD3 LYS 64 HD1 LYS 64 0.424 26.552 -11.723 512 HE2 LYS 64 HE2 LYS 64 1.708 26.405 -14.467 513 HE3 LYS 64 HE1 LYS 64 -0.022 26.586 -14.204 514 HZ1 LYS 64 HZ1 LYS 64 2.127 28.504 -13.816 515 HZ2 LYS 64 HZ2 LYS 64 0.872 28.536 -12.672 516 HZ3 LYS 64 HZ3 LYS 64 0.523 28.749 -14.319 517 H GLY 65 HN GLY 65 4.412 27.348 -8.019 518 HA2 GLY 65 HA2 GLY 65 3.420 25.557 -5.939 519 HA3 GLY 65 HA1 GLY 65 5.174 25.754 -5.915 520 H ARG 66 HN ARG 66 4.419 26.673 -3.735 521 HA ARG 66 HA ARG 66 4.143 29.643 -4.136 522 HB2 ARG 66 HB2 ARG 66 2.725 29.565 -1.946 523 HB3 ARG 66 HB1 ARG 66 1.933 28.972 -3.400 524 HG2 ARG 66 HG2 ARG 66 2.580 26.650 -2.779 525 HG3 ARG 66 HG1 ARG 66 3.304 27.264 -1.297 526 HD2 ARG 66 HD2 ARG 66 0.392 27.163 -2.075 527 HD3 ARG 66 HD1 ARG 66 1.153 26.649 -0.570 528 HE ARG 66 HE ARG 66 1.577 29.420 -0.725 529 HH11 ARG 66 HH11 ARG 66 0.032 27.920 1.398 530 HH12 ARG 66 HH12 ARG 66 -1.528 28.664 1.289 531 HH21 ARG 66 HH21 ARG 66 -0.852 30.090 -1.840 532 HH22 ARG 66 HH22 ARG 66 -2.043 29.924 -0.594 533 H ILE 67 HN ILE 67 4.945 30.923 -2.298 534 HA ILE 67 HA ILE 67 7.207 29.471 -0.961 535 HB ILE 67 HB ILE 67 6.667 32.337 -1.741 536 HG12 ILE 67 HG12 ILE 67 9.205 30.737 -2.033 537 HG13 ILE 67 HG11 ILE 67 7.882 30.560 -3.173 538 HG21 ILE 67 HG21 ILE 67 9.000 32.665 -0.477 539 HG22 ILE 67 HG22 ILE 67 8.467 31.267 0.453 540 HG23 ILE 67 HG23 ILE 67 7.502 32.741 0.445 541 HD11 ILE 67 HD11 ILE 67 9.557 33.001 -2.601 542 HD12 ILE 67 HD12 ILE 67 7.949 33.174 -3.297 543 HD13 ILE 67 HD13 ILE 67 9.187 32.263 -4.156 544 H THR 68 HN THR 68 7.468 29.474 1.245 545 HA THR 68 HA THR 68 5.959 31.145 2.949 546 HB THR 68 HB THR 68 4.833 28.981 4.036 547 HG1 THR 68 HG1 THR 68 6.115 27.954 2.106 548 HG21 THR 68 HG21 THR 68 2.816 29.500 2.896 549 HG22 THR 68 HG22 THR 68 3.622 29.618 1.337 550 HG23 THR 68 HG23 THR 68 3.740 30.943 2.494 551 H TYR 69 HN TYR 69 8.059 31.391 3.464 552 HA TYR 69 HA TYR 69 9.204 31.169 5.730 553 HB2 TYR 69 HB2 TYR 69 8.419 28.774 6.037 554 HB3 TYR 69 HB1 TYR 69 9.546 28.272 4.779 555 HD1 TYR 69 HD1 TYR 69 9.234 29.695 8.163 556 HD2 TYR 69 HD2 TYR 69 11.940 28.206 5.240 557 HE1 TYR 69 HE1 TYR 69 11.014 29.640 9.844 558 HE2 TYR 69 HE2 TYR 69 13.722 28.149 6.923 559 HH TYR 69 HH TYR 69 13.140 29.233 10.258 560 H ARG 70 HN ARG 70 11.090 32.103 5.507 561 HA ARG 70 HA ARG 70 12.990 31.045 3.589 562 HB2 ARG 70 HB2 ARG 70 13.223 33.294 2.452 563 HB3 ARG 70 HB1 ARG 70 11.674 32.510 2.154 564 HG2 ARG 70 HG2 ARG 70 10.769 34.452 2.888 565 HG3 ARG 70 HG1 ARG 70 11.181 33.865 4.492 566 HD2 ARG 70 HD2 ARG 70 13.381 35.004 4.341 567 HD3 ARG 70 HD1 ARG 70 12.952 35.610 2.741 568 HE ARG 70 HE ARG 70 11.561 37.218 3.785 569 HH11 ARG 70 HH11 ARG 70 13.570 36.504 6.080 570 HH12 ARG 70 HH12 ARG 70 12.480 36.467 7.426 571 HH21 ARG 70 HH21 ARG 70 9.635 36.398 5.380 572 HH22 ARG 70 HH22 ARG 70 10.194 36.405 7.020 573 H ALA 71 HN ALA 71 15.054 31.942 3.666 574 HA ALA 71 HA ALA 71 15.621 33.578 6.063 575 HB1 ALA 71 HB1 ALA 71 16.893 30.954 5.184 576 HB2 ALA 71 HB2 ALA 71 16.158 31.319 6.742 577 HB3 ALA 71 HB3 ALA 71 17.701 32.045 6.305 578 H ARG 72 HN ARG 72 17.614 34.730 5.963 579 HA ARG 72 HA ARG 72 18.996 36.234 4.806 580 HB2 ARG 72 HB2 ARG 72 20.201 33.966 4.732 581 HB3 ARG 72 HB1 ARG 72 19.548 33.755 3.110 582 HG2 ARG 72 HG2 ARG 72 20.630 35.890 2.421 583 HG3 ARG 72 HG1 ARG 72 21.318 36.046 4.033 584 HD2 ARG 72 HD2 ARG 72 21.778 33.601 2.300 585 HD3 ARG 72 HD1 ARG 72 22.853 34.997 2.272 586 HE ARG 72 HE ARG 72 22.642 34.347 4.969 587 HH11 ARG 72 HH11 ARG 72 25.068 34.091 3.115 588 HH12 ARG 72 HH12 ARG 72 25.506 32.435 3.369 589 HH21 ARG 72 HH21 ARG 72 22.437 31.646 4.870 590 HH22 ARG 72 HH22 ARG 72 23.977 31.014 4.389 Start of MODEL 4 1 HA MET 1 HA MET 1 -9.925 22.320 1.234 2 HB2 MET 1 HB2 MET 1 -7.109 22.585 0.063 3 HB3 MET 1 HB1 MET 1 -8.379 21.630 -0.697 4 HG2 MET 1 HG2 MET 1 -9.827 23.694 -0.656 5 HG3 MET 1 HG1 MET 1 -8.441 24.595 -0.102 6 HE1 MET 1 HE1 MET 1 -9.712 25.527 -3.715 7 HE2 MET 1 HE2 MET 1 -8.931 26.411 -2.405 8 HE3 MET 1 HE3 MET 1 -10.301 25.355 -2.061 9 H SER 2 HN SER 2 -8.535 21.548 3.712 10 HA SER 2 HA SER 2 -7.989 19.562 4.822 11 HB2 SER 2 HB2 SER 2 -8.633 17.859 2.431 12 HB3 SER 2 HB1 SER 2 -9.259 17.745 4.088 13 HG SER 2 HG SER 2 -10.714 18.615 2.364 14 H LYS 3 HN LYS 3 -6.919 17.186 3.942 15 HA LYS 3 HA LYS 3 -4.225 18.104 3.155 16 HB2 LYS 3 HB2 LYS 3 -5.384 15.464 4.159 17 HB3 LYS 3 HB1 LYS 3 -3.713 15.591 3.613 18 HG2 LYS 3 HG2 LYS 3 -3.366 17.452 5.257 19 HG3 LYS 3 HG1 LYS 3 -5.004 17.195 5.846 20 HD2 LYS 3 HD2 LYS 3 -4.381 14.807 6.346 21 HD3 LYS 3 HD1 LYS 3 -2.722 15.192 5.903 22 HE2 LYS 3 HE2 LYS 3 -2.902 17.109 7.630 23 HE3 LYS 3 HE1 LYS 3 -4.345 16.289 8.210 24 HZ1 LYS 3 HZ1 LYS 3 -2.966 15.096 9.445 25 HZ2 LYS 3 HZ2 LYS 3 -1.594 15.620 8.593 26 HZ3 LYS 3 HZ3 LYS 3 -2.499 14.303 8.017 27 H GLU 4 HN GLU 4 -3.004 16.986 1.504 28 HA GLU 4 HA GLU 4 -4.622 15.565 -0.538 29 HB2 GLU 4 HB2 GLU 4 -3.072 18.162 -0.941 30 HB3 GLU 4 HB1 GLU 4 -3.483 17.109 -2.289 31 HG2 GLU 4 HG2 GLU 4 -5.501 18.252 -0.332 32 HG3 GLU 4 HG1 GLU 4 -5.180 18.912 -1.933 33 H ASP 5 HN ASP 5 -1.885 16.704 -1.978 34 HA ASP 5 HA ASP 5 -0.031 14.695 -0.877 35 HB2 ASP 5 HB2 ASP 5 -0.991 14.583 -3.784 36 HB3 ASP 5 HB1 ASP 5 0.210 13.519 -3.056 37 H SER 6 HN SER 6 0.510 17.240 -0.688 38 HA SER 6 HA SER 6 2.039 18.099 -3.084 39 HB2 SER 6 HB2 SER 6 2.114 19.759 -0.596 40 HB3 SER 6 HB1 SER 6 1.714 20.247 -2.254 41 HG SER 6 HG SER 6 -0.220 18.849 -1.901 42 H PHE 7 HN PHE 7 4.145 19.396 -2.254 43 HA PHE 7 HA PHE 7 5.629 17.629 -0.363 44 HB2 PHE 7 HB2 PHE 7 6.223 18.207 -3.273 45 HB3 PHE 7 HB1 PHE 7 7.578 18.009 -2.165 46 HD1 PHE 7 HD1 PHE 7 7.980 15.849 -1.054 47 HD2 PHE 7 HD2 PHE 7 4.703 16.328 -3.739 48 HE1 PHE 7 HE1 PHE 7 7.699 13.412 -1.156 49 HE2 PHE 7 HE2 PHE 7 4.423 13.890 -3.823 50 HZ PHE 7 HZ PHE 7 5.917 12.433 -2.531 51 H GLU 8 HN GLU 8 7.871 18.621 0.034 52 HA GLU 8 HA GLU 8 7.695 21.605 0.022 53 HB2 GLU 8 HB2 GLU 8 8.585 21.530 2.393 54 HB3 GLU 8 HB1 GLU 8 6.985 20.809 2.253 55 HG2 GLU 8 HG2 GLU 8 8.210 18.567 1.906 56 HG3 GLU 8 HG1 GLU 8 9.653 19.398 2.482 57 H MET 9 HN MET 9 9.589 22.643 -0.331 58 HA MET 9 HA MET 9 12.154 21.291 0.027 59 HB2 MET 9 HB2 MET 9 11.080 20.523 -2.248 60 HB3 MET 9 HB1 MET 9 11.458 22.150 -2.806 61 HG2 MET 9 HG2 MET 9 13.281 20.639 -3.360 62 HG3 MET 9 HG1 MET 9 13.804 21.829 -2.197 63 HE1 MET 9 HE1 MET 9 16.013 20.430 -1.905 64 HE2 MET 9 HE2 MET 9 15.343 19.346 -3.122 65 HE3 MET 9 HE3 MET 9 16.009 18.689 -1.628 66 H GLU 10 HN GLU 10 13.903 22.701 -0.081 67 HA GLU 10 HA GLU 10 13.132 25.560 0.022 68 HB2 GLU 10 HB2 GLU 10 15.860 24.290 0.566 69 HB3 GLU 10 HB1 GLU 10 15.317 25.883 1.079 70 HG2 GLU 10 HG2 GLU 10 13.925 25.022 2.744 71 HG3 GLU 10 HG1 GLU 10 13.746 23.467 1.933 72 H GLY 11 HN GLY 11 14.034 27.141 -1.262 73 HA2 GLY 11 HA2 GLY 11 16.016 26.424 -3.325 74 HA3 GLY 11 HA1 GLY 11 14.412 26.818 -3.948 75 H THR 12 HN THR 12 16.124 28.503 -4.900 76 HA THR 12 HA THR 12 16.133 30.882 -3.059 77 HB THR 12 HB THR 12 17.972 30.176 -5.439 78 HG1 THR 12 HG1 THR 12 18.128 30.279 -2.612 79 HG21 THR 12 HG21 THR 12 17.532 32.667 -3.773 80 HG22 THR 12 HG22 THR 12 18.104 32.545 -5.431 81 HG23 THR 12 HG23 THR 12 19.202 32.209 -4.099 82 H VAL 13 HN VAL 13 15.501 32.877 -3.905 83 HA VAL 13 HA VAL 13 13.762 32.592 -6.374 84 HB VAL 13 HB VAL 13 13.815 34.748 -4.219 85 HG11 VAL 13 HG11 VAL 13 13.009 35.696 -6.281 86 HG12 VAL 13 HG12 VAL 13 11.589 35.329 -5.307 87 HG13 VAL 13 HG13 VAL 13 12.037 34.275 -6.642 88 HG21 VAL 13 HG21 VAL 13 11.727 32.571 -4.839 89 HG22 VAL 13 HG22 VAL 13 11.791 33.605 -3.413 90 HG23 VAL 13 HG23 VAL 13 12.999 32.345 -3.638 91 H VAL 14 HN VAL 14 14.762 33.214 -8.251 92 HA VAL 14 HA VAL 14 15.809 35.960 -8.281 93 HB VAL 14 HB VAL 14 17.381 33.935 -9.813 94 HG11 VAL 14 HG11 VAL 14 19.115 35.456 -9.520 95 HG12 VAL 14 HG12 VAL 14 18.519 35.973 -7.948 96 HG13 VAL 14 HG13 VAL 14 17.726 36.533 -9.418 97 HG21 VAL 14 HG21 VAL 14 18.694 33.246 -7.855 98 HG22 VAL 14 HG22 VAL 14 17.016 32.745 -7.685 99 HG23 VAL 14 HG23 VAL 14 17.608 34.155 -6.818 100 H ASP 15 HN ASP 15 13.867 36.184 -9.263 101 HA ASP 15 HA ASP 15 13.871 36.519 -12.058 102 HB2 ASP 15 HB2 ASP 15 13.605 34.000 -12.064 103 HB3 ASP 15 HB1 ASP 15 12.169 34.195 -11.086 104 H THR 16 HN THR 16 12.188 37.900 -12.566 105 HA THR 16 HA THR 16 10.026 38.155 -10.488 106 HB THR 16 HB THR 16 11.196 40.174 -10.051 107 HG1 THR 16 HG1 THR 16 10.149 41.752 -11.277 108 HG21 THR 16 HG21 THR 16 11.982 40.036 -13.017 109 HG22 THR 16 HG22 THR 16 13.071 39.880 -11.642 110 HG23 THR 16 HG23 THR 16 12.329 41.435 -12.007 111 H LEU 17 HN LEU 17 8.311 37.362 -11.475 112 HA LEU 17 HA LEU 17 7.806 38.025 -14.296 113 HB2 LEU 17 HB2 LEU 17 6.400 36.203 -12.317 114 HB3 LEU 17 HB1 LEU 17 5.920 36.367 -13.993 115 HG LEU 17 HG LEU 17 8.556 35.347 -12.941 116 HD11 LEU 17 HD21 LEU 17 6.375 34.147 -14.646 117 HD12 LEU 17 HD22 LEU 17 6.726 33.737 -12.970 118 HD13 LEU 17 HD23 LEU 17 7.888 33.347 -14.232 119 HD21 LEU 17 HD11 LEU 17 8.850 34.951 -15.542 120 HD22 LEU 17 HD12 LEU 17 9.287 36.504 -14.836 121 HD23 LEU 17 HD13 LEU 17 7.744 36.315 -15.664 122 HA PRO 18 HA PRO 18 4.624 40.829 -12.997 123 HB2 PRO 18 HB2 PRO 18 2.939 40.778 -15.231 124 HB3 PRO 18 HB1 PRO 18 4.498 41.610 -15.197 125 HG2 PRO 18 HG2 PRO 18 3.767 39.158 -16.665 126 HG3 PRO 18 HG1 PRO 18 5.230 40.131 -16.821 127 HD2 PRO 18 HD1 PRO 18 4.872 37.616 -15.374 128 HD3 PRO 18 HD2 PRO 18 6.368 38.504 -15.683 129 H ASN 19 HN ASN 19 2.391 41.149 -12.483 130 HA ASN 19 HA ASN 19 0.215 40.520 -11.884 131 HB2 ASN 19 HB2 ASN 19 0.653 37.651 -12.746 132 HB3 ASN 19 HB1 ASN 19 -0.794 38.642 -12.891 133 HD21 ASN 19 HD21 ASN 19 0.865 37.076 -14.962 134 HD22 ASN 19 HD22 ASN 19 1.154 38.208 -16.193 135 H THR 20 HN THR 20 2.815 40.117 -10.482 136 HA THR 20 HA THR 20 3.363 39.521 -8.286 137 HB THR 20 HB THR 20 0.810 37.891 -7.949 138 HG1 THR 20 HG1 THR 20 0.936 40.726 -8.025 139 HG21 THR 20 HG21 THR 20 2.453 38.555 -6.039 140 HG22 THR 20 HG22 THR 20 0.790 39.087 -5.795 141 HG23 THR 20 HG23 THR 20 2.006 40.229 -6.360 142 H MET 21 HN MET 21 4.701 38.149 -10.014 143 HA MET 21 HA MET 21 4.597 35.373 -8.908 144 HB2 MET 21 HB2 MET 21 4.293 36.198 -11.817 145 HB3 MET 21 HB1 MET 21 5.062 34.662 -11.435 146 HG2 MET 21 HG2 MET 21 2.314 35.568 -10.551 147 HG3 MET 21 HG1 MET 21 2.645 34.401 -11.802 148 HE1 MET 21 HE1 MET 21 0.617 33.391 -10.459 149 HE2 MET 21 HE2 MET 21 1.057 31.881 -9.662 150 HE3 MET 21 HE3 MET 21 1.638 32.219 -11.293 151 H PHE 22 HN PHE 22 6.551 34.229 -9.097 152 HA PHE 22 HA PHE 22 8.897 35.640 -10.216 153 HB2 PHE 22 HB2 PHE 22 9.056 34.611 -7.360 154 HB3 PHE 22 HB1 PHE 22 10.040 35.847 -8.140 155 HD1 PHE 22 HD1 PHE 22 6.571 35.164 -6.919 156 HD2 PHE 22 HD2 PHE 22 9.448 38.139 -7.941 157 HE1 PHE 22 HE1 PHE 22 5.096 36.909 -6.017 158 HE2 PHE 22 HE2 PHE 22 7.970 39.874 -7.028 159 HZ PHE 22 HZ PHE 22 5.792 39.263 -6.077 160 H ARG 23 HN ARG 23 10.826 34.195 -10.213 161 HA ARG 23 HA ARG 23 9.943 31.309 -10.335 162 HB2 ARG 23 HB2 ARG 23 11.111 32.744 -12.360 163 HB3 ARG 23 HB1 ARG 23 12.561 32.171 -11.556 164 HG2 ARG 23 HG2 ARG 23 12.270 30.038 -12.258 165 HG3 ARG 23 HG1 ARG 23 10.548 30.068 -11.963 166 HD2 ARG 23 HD2 ARG 23 11.305 29.901 -14.425 167 HD3 ARG 23 HD1 ARG 23 10.082 31.111 -14.046 168 HE ARG 23 HE ARG 23 12.727 32.240 -13.811 169 HH11 ARG 23 HH11 ARG 23 9.962 32.943 -15.234 170 HH12 ARG 23 HH12 ARG 23 10.554 33.259 -16.832 171 HH21 ARG 23 HH21 ARG 23 13.696 31.851 -16.164 172 HH22 ARG 23 HH22 ARG 23 12.724 32.623 -17.371 173 H VAL 24 HN VAL 24 10.898 29.824 -9.079 174 HA VAL 24 HA VAL 24 13.157 30.805 -7.410 175 HB VAL 24 HB VAL 24 11.032 30.269 -6.166 176 HG11 VAL 24 HG21 VAL 24 10.447 28.445 -7.859 177 HG12 VAL 24 HG22 VAL 24 10.105 28.114 -6.165 178 HG13 VAL 24 HG23 VAL 24 11.526 27.414 -6.930 179 HG21 VAL 24 HG11 VAL 24 13.001 30.007 -4.860 180 HG22 VAL 24 HG12 VAL 24 13.494 28.567 -5.744 181 HG23 VAL 24 HG13 VAL 24 12.131 28.495 -4.633 182 H GLU 25 HN GLU 25 15.007 29.748 -7.583 183 HA GLU 25 HA GLU 25 14.995 27.512 -9.545 184 HB2 GLU 25 HB2 GLU 25 17.245 29.139 -8.231 185 HB3 GLU 25 HB1 GLU 25 17.498 27.880 -9.435 186 HG2 GLU 25 HG2 GLU 25 17.208 29.485 -11.010 187 HG3 GLU 25 HG1 GLU 25 15.507 29.506 -10.548 188 H LEU 26 HN LEU 26 15.180 25.635 -9.062 189 HA LEU 26 HA LEU 26 16.162 24.704 -6.442 190 HB2 LEU 26 HB2 LEU 26 14.050 23.579 -8.372 191 HB3 LEU 26 HB1 LEU 26 14.692 22.648 -7.030 192 HG LEU 26 HG LEU 26 13.558 25.408 -6.596 193 HD11 LEU 26 HD21 LEU 26 11.685 23.295 -5.905 194 HD12 LEU 26 HD22 LEU 26 12.050 23.245 -7.626 195 HD13 LEU 26 HD23 LEU 26 11.425 24.724 -6.901 196 HD21 LEU 26 HD11 LEU 26 13.532 22.977 -4.774 197 HD22 LEU 26 HD12 LEU 26 13.338 24.667 -4.324 198 HD23 LEU 26 HD13 LEU 26 14.906 24.071 -4.839 199 H GLU 27 HN GLU 27 17.588 25.652 -8.551 200 HA GLU 27 HA GLU 27 18.489 24.223 -10.665 201 HB2 GLU 27 HB2 GLU 27 20.603 25.323 -10.378 202 HB3 GLU 27 HB1 GLU 27 19.433 26.390 -9.609 203 HG2 GLU 27 HG2 GLU 27 19.966 25.096 -7.430 204 HG3 GLU 27 HG1 GLU 27 21.373 24.482 -8.290 205 H ASN 28 HN ASN 28 18.298 22.910 -7.658 206 HA ASN 28 HA ASN 28 20.650 21.261 -7.772 207 HB2 ASN 28 HB2 ASN 28 17.962 20.531 -6.476 208 HB3 ASN 28 HB1 ASN 28 19.570 20.029 -5.955 209 HD21 ASN 28 HD21 ASN 28 17.389 21.607 -4.499 210 HD22 ASN 28 HD22 ASN 28 18.170 23.019 -3.968 211 H GLY 29 HN GLY 29 18.900 21.731 -10.101 212 HA2 GLY 29 HA2 GLY 29 18.936 20.160 -11.983 213 HA3 GLY 29 HA1 GLY 29 18.263 18.964 -10.882 214 H HIS 30 HN HIS 30 16.570 21.527 -9.815 215 HA HIS 30 HA HIS 30 14.530 21.359 -12.020 216 HB2 HIS 30 HB2 HIS 30 14.106 19.999 -9.820 217 HB3 HIS 30 HB1 HIS 30 13.760 21.562 -9.098 218 HD1 HIS 30 HD1 HIS 30 12.759 20.129 -12.373 219 HD2 HIS 30 HD2 HIS 30 11.055 21.886 -9.141 220 HE1 HIS 30 HE1 HIS 30 10.409 20.300 -12.937 221 H VAL 31 HN VAL 31 13.089 23.089 -12.261 222 HA VAL 31 HA VAL 31 13.827 25.706 -10.904 223 HB VAL 31 HB VAL 31 14.558 25.245 -13.461 224 HG11 VAL 31 HG21 VAL 31 12.251 24.383 -14.046 225 HG12 VAL 31 HG22 VAL 31 12.832 25.663 -15.104 226 HG13 VAL 31 HG23 VAL 31 11.653 26.029 -13.846 227 HG21 VAL 31 HG11 VAL 31 12.943 27.749 -13.266 228 HG22 VAL 31 HG12 VAL 31 14.620 27.536 -13.757 229 HG23 VAL 31 HG13 VAL 31 14.194 27.516 -12.050 230 H VAL 32 HN VAL 32 11.857 26.970 -10.348 231 HA VAL 32 HA VAL 32 9.296 25.929 -11.444 232 HB VAL 32 HB VAL 32 9.531 26.261 -8.524 233 HG11 VAL 32 HG21 VAL 32 7.797 24.707 -10.398 234 HG12 VAL 32 HG22 VAL 32 7.327 26.055 -9.367 235 HG13 VAL 32 HG23 VAL 32 7.736 24.501 -8.651 236 HG21 VAL 32 HG11 VAL 32 11.337 24.671 -9.117 237 HG22 VAL 32 HG12 VAL 32 10.169 23.726 -10.034 238 HG23 VAL 32 HG13 VAL 32 10.017 23.845 -8.291 239 H THR 33 HN THR 33 7.468 27.111 -10.685 240 HA THR 33 HA THR 33 8.132 30.000 -10.400 241 HB THR 33 HB THR 33 5.709 28.617 -11.650 242 HG1 THR 33 HG1 THR 33 6.886 28.809 -13.376 243 HG21 THR 33 HG21 THR 33 5.260 30.945 -10.616 244 HG22 THR 33 HG22 THR 33 5.049 30.890 -12.362 245 HG23 THR 33 HG23 THR 33 6.521 31.570 -11.674 246 H ALA 34 HN ALA 34 7.129 31.151 -8.774 247 HA ALA 34 HA ALA 34 4.984 29.792 -7.271 248 HB1 ALA 34 HB1 ALA 34 7.765 30.354 -6.206 249 HB2 ALA 34 HB2 ALA 34 6.786 28.903 -6.010 250 HB3 ALA 34 HB3 ALA 34 6.385 30.362 -5.115 251 H HIS 35 HN HIS 35 4.414 31.207 -5.293 252 HA HIS 35 HA HIS 35 4.570 34.089 -6.124 253 HB2 HIS 35 HB2 HIS 35 2.311 33.036 -6.603 254 HB3 HIS 35 HB1 HIS 35 2.171 32.617 -4.898 255 HD1 HIS 35 HD1 HIS 35 2.839 35.033 -3.516 256 HD2 HIS 35 HD2 HIS 35 0.848 35.287 -7.037 257 HE1 HIS 35 HE1 HIS 35 1.780 37.211 -3.463 258 H ILE 36 HN ILE 36 5.219 35.394 -4.529 259 HA ILE 36 HA ILE 36 6.073 34.296 -2.025 260 HB ILE 36 HB ILE 36 6.958 36.388 -3.220 261 HG12 ILE 36 HG12 ILE 36 6.155 37.071 -0.394 262 HG13 ILE 36 HG11 ILE 36 7.254 35.731 -0.706 263 HG21 ILE 36 HG21 ILE 36 4.559 37.689 -1.834 264 HG22 ILE 36 HG22 ILE 36 4.583 37.315 -3.555 265 HG23 ILE 36 HG23 ILE 36 5.725 38.478 -2.890 266 HD11 ILE 36 HD11 ILE 36 8.671 37.631 -0.414 267 HD12 ILE 36 HD12 ILE 36 7.634 38.652 -1.405 268 HD13 ILE 36 HD13 ILE 36 8.600 37.385 -2.156 269 H SER 37 HN SER 37 5.327 34.937 0.098 270 HA SER 37 HA SER 37 2.431 34.730 0.282 271 HB2 SER 37 HB2 SER 37 4.244 33.634 1.841 272 HB3 SER 37 HB1 SER 37 4.294 35.219 2.635 273 HG SER 37 HG SER 37 2.284 33.333 2.563 274 H GLY 38 HN GLY 38 1.990 36.128 2.659 275 HA2 GLY 38 HA2 GLY 38 1.552 38.812 1.586 276 HA3 GLY 38 HA1 GLY 38 1.009 38.223 3.154 277 H LYS 39 HN LYS 39 4.123 37.357 3.121 278 HA LYS 39 HA LYS 39 5.037 39.069 5.097 279 HB2 LYS 39 HB2 LYS 39 6.328 37.103 4.277 280 HB3 LYS 39 HB1 LYS 39 6.641 37.922 2.752 281 HG2 LYS 39 HG2 LYS 39 8.204 39.345 3.678 282 HG3 LYS 39 HG1 LYS 39 7.395 39.386 5.241 283 HD2 LYS 39 HD2 LYS 39 8.725 36.859 4.250 284 HD3 LYS 39 HD1 LYS 39 9.655 38.105 5.076 285 HE2 LYS 39 HE2 LYS 39 7.874 37.998 6.924 286 HE3 LYS 39 HE1 LYS 39 7.305 36.526 6.149 287 HZ1 LYS 39 HZ1 LYS 39 9.335 35.459 6.539 288 HZ2 LYS 39 HZ2 LYS 39 8.963 36.250 7.995 289 HZ3 LYS 39 HZ3 LYS 39 10.126 36.905 6.946 290 H MET 40 HN MET 40 4.618 39.755 1.732 291 HA MET 40 HA MET 40 6.271 42.164 1.784 292 HB2 MET 40 HB2 MET 40 4.552 40.697 -0.182 293 HB3 MET 40 HB1 MET 40 4.666 42.437 -0.432 294 HG2 MET 40 HG2 MET 40 7.084 42.326 -0.466 295 HG3 MET 40 HG1 MET 40 7.060 40.639 -0.026 296 HE1 MET 40 HE1 MET 40 5.001 41.648 -3.940 297 HE2 MET 40 HE2 MET 40 5.223 42.848 -2.667 298 HE3 MET 40 HE3 MET 40 4.284 41.390 -2.351 299 H ARG 41 HN ARG 41 2.884 41.337 2.142 300 HA ARG 41 HA ARG 41 1.806 43.956 1.942 301 HB2 ARG 41 HB2 ARG 41 0.816 41.396 2.417 302 HB3 ARG 41 HB1 ARG 41 0.557 42.182 3.970 303 HG2 ARG 41 HG2 ARG 41 -0.518 44.099 2.725 304 HG3 ARG 41 HG1 ARG 41 -0.417 43.130 1.260 305 HD2 ARG 41 HD2 ARG 41 -2.627 42.798 2.230 306 HD3 ARG 41 HD1 ARG 41 -1.704 41.315 2.466 307 HE ARG 41 HE ARG 41 -1.210 42.715 4.786 308 HH11 ARG 41 HH21 ARG 41 -3.028 40.278 4.459 309 HH12 ARG 41 HH22 ARG 41 -4.491 40.849 5.188 310 HH21 ARG 41 HH11 ARG 41 -3.474 44.201 5.084 311 HH22 ARG 41 HH12 ARG 41 -4.751 43.129 5.552 312 H LYS 42 HN LYS 42 3.237 42.202 4.635 313 HA LYS 42 HA LYS 42 2.570 44.245 6.575 314 HB2 LYS 42 HB2 LYS 42 4.232 41.738 6.509 315 HB3 LYS 42 HB1 LYS 42 4.575 42.898 7.788 316 HG2 LYS 42 HG2 LYS 42 1.699 42.327 7.325 317 HG3 LYS 42 HG1 LYS 42 2.639 40.988 7.974 318 HD2 LYS 42 HD2 LYS 42 3.433 42.390 9.817 319 HD3 LYS 42 HD1 LYS 42 2.612 43.792 9.139 320 HE2 LYS 42 HE2 LYS 42 0.506 43.020 9.739 321 HE3 LYS 42 HE1 LYS 42 0.986 41.331 9.657 322 HZ1 LYS 42 HZ1 LYS 42 0.589 42.367 11.934 323 HZ2 LYS 42 HZ2 LYS 42 2.095 43.120 11.720 324 HZ3 LYS 42 HZ3 LYS 42 1.988 41.426 11.723 325 H ASN 43 HN ASN 43 5.570 43.305 4.920 326 HA ASN 43 HA ASN 43 7.019 45.561 6.042 327 HB2 ASN 43 HB2 ASN 43 7.860 43.210 5.038 328 HB3 ASN 43 HB1 ASN 43 7.947 44.151 3.551 329 HD21 ASN 43 HD21 ASN 43 8.908 46.573 4.231 330 HD22 ASN 43 HD22 ASN 43 10.383 46.470 5.067 331 H TYR 44 HN TYR 44 5.514 44.830 2.976 332 HA TYR 44 HA TYR 44 4.811 46.271 1.312 333 HB2 TYR 44 HB2 TYR 44 4.610 47.746 3.672 334 HB3 TYR 44 HB1 TYR 44 5.609 48.782 2.658 335 HD1 TYR 44 HD1 TYR 44 2.717 46.486 1.999 336 HD2 TYR 44 HD2 TYR 44 4.316 50.403 1.571 337 HE1 TYR 44 HE1 TYR 44 0.725 47.162 0.744 338 HE2 TYR 44 HE2 TYR 44 2.325 51.078 0.309 339 HH TYR 44 HH TYR 44 0.086 48.865 -0.921 340 H ILE 45 HN ILE 45 7.481 45.282 1.422 341 HA ILE 45 HA ILE 45 8.738 47.279 -0.336 342 HB ILE 45 HB ILE 45 10.124 45.965 2.045 343 HG12 ILE 45 HG12 ILE 45 9.406 48.861 1.488 344 HG13 ILE 45 HG11 ILE 45 8.663 47.824 2.701 345 HG21 ILE 45 HG21 ILE 45 12.113 47.186 1.318 346 HG22 ILE 45 HG22 ILE 45 11.198 48.071 0.102 347 HG23 ILE 45 HG23 ILE 45 11.503 46.350 -0.106 348 HD11 ILE 45 HD11 ILE 45 11.196 47.485 3.461 349 HD12 ILE 45 HD12 ILE 45 10.271 48.880 4.008 350 HD13 ILE 45 HD13 ILE 45 11.402 49.046 2.670 351 H ARG 46 HN ARG 46 9.568 46.345 -2.087 352 HA ARG 46 HA ARG 46 9.239 43.675 -2.770 353 HB2 ARG 46 HB2 ARG 46 11.181 44.090 -4.392 354 HB3 ARG 46 HB1 ARG 46 9.923 45.322 -4.443 355 HG2 ARG 46 HG2 ARG 46 11.287 46.671 -2.797 356 HG3 ARG 46 HG1 ARG 46 12.577 45.489 -2.978 357 HD2 ARG 46 HD2 ARG 46 12.714 47.575 -4.482 358 HD3 ARG 46 HD1 ARG 46 12.871 46.017 -5.292 359 HE ARG 46 HE ARG 46 10.122 47.024 -5.180 360 HH11 ARG 46 HH11 ARG 46 13.171 47.052 -6.748 361 HH12 ARG 46 HH12 ARG 46 12.526 47.364 -8.325 362 HH21 ARG 46 HH21 ARG 46 9.209 47.366 -7.190 363 HH22 ARG 46 HH22 ARG 46 10.224 47.548 -8.581 364 H ILE 47 HN ILE 47 10.354 41.803 -2.507 365 HA ILE 47 HA ILE 47 12.289 41.745 -0.312 366 HB ILE 47 HB ILE 47 10.566 39.953 -0.618 367 HG12 ILE 47 HG12 ILE 47 12.152 37.987 -0.552 368 HG13 ILE 47 HG11 ILE 47 13.457 39.093 -0.962 369 HG21 ILE 47 HG21 ILE 47 12.178 39.016 -3.026 370 HG22 ILE 47 HG22 ILE 47 10.861 40.164 -3.239 371 HG23 ILE 47 HG23 ILE 47 10.537 38.568 -2.570 372 HD11 ILE 47 HD11 ILE 47 11.624 39.687 1.361 373 HD12 ILE 47 HD12 ILE 47 13.259 40.273 1.074 374 HD13 ILE 47 HD13 ILE 47 12.997 38.602 1.561 375 H LEU 48 HN LEU 48 14.458 41.253 -0.452 376 HA LEU 48 HA LEU 48 15.838 42.069 -2.823 377 HB2 LEU 48 HB2 LEU 48 16.772 42.007 -0.432 378 HB3 LEU 48 HB1 LEU 48 16.932 40.262 -0.614 379 HG LEU 48 HG LEU 48 18.400 40.585 -2.570 380 HD11 LEU 48 HD11 LEU 48 17.851 42.550 -3.660 381 HD12 LEU 48 HD12 LEU 48 19.186 43.160 -2.685 382 HD13 LEU 48 HD13 LEU 48 17.524 43.411 -2.159 383 HD21 LEU 48 HD21 LEU 48 19.358 42.388 -0.333 384 HD22 LEU 48 HD22 LEU 48 20.330 41.359 -1.380 385 HD23 LEU 48 HD23 LEU 48 19.281 40.637 -0.164 386 H THR 49 HN THR 49 16.279 41.000 -4.624 387 HA THR 49 HA THR 49 15.244 38.458 -5.274 388 HB THR 49 HB THR 49 17.767 39.859 -6.372 389 HG1 THR 49 HG1 THR 49 14.988 39.984 -6.675 390 HG21 THR 49 HG21 THR 49 17.012 37.269 -6.940 391 HG22 THR 49 HG22 THR 49 17.671 38.340 -8.174 392 HG23 THR 49 HG23 THR 49 15.928 38.142 -8.019 393 H GLY 50 HN GLY 50 15.881 36.574 -5.261 394 HA2 GLY 50 HA2 GLY 50 17.054 34.619 -4.787 395 HA3 GLY 50 HA1 GLY 50 18.482 35.599 -4.471 396 H ASP 51 HN ASP 51 15.402 34.670 -3.284 397 HA ASP 51 HA ASP 51 16.297 35.181 -0.508 398 HB2 ASP 51 HB2 ASP 51 13.461 34.453 -0.910 399 HB3 ASP 51 HB1 ASP 51 14.122 35.860 -0.096 400 H LYS 52 HN LYS 52 16.871 33.306 0.592 401 HA LYS 52 HA LYS 52 16.260 30.848 -0.869 402 HB2 LYS 52 HB2 LYS 52 17.569 31.557 1.810 403 HB3 LYS 52 HB1 LYS 52 16.996 29.908 1.589 404 HG2 LYS 52 HG2 LYS 52 18.281 29.964 -0.658 405 HG3 LYS 52 HG1 LYS 52 19.083 31.392 -0.015 406 HD2 LYS 52 HD2 LYS 52 19.007 28.669 1.335 407 HD3 LYS 52 HD1 LYS 52 20.382 29.331 0.461 408 HE2 LYS 52 HE2 LYS 52 19.112 30.496 2.959 409 HE3 LYS 52 HE1 LYS 52 20.688 29.724 2.855 410 HZ1 LYS 52 HZ1 LYS 52 21.511 31.467 1.524 411 HZ2 LYS 52 HZ2 LYS 52 20.708 32.199 2.830 412 HZ3 LYS 52 HZ3 LYS 52 19.967 32.139 1.304 413 H VAL 53 HN VAL 53 14.219 30.167 -0.901 414 HA VAL 53 HA VAL 53 12.551 30.583 1.565 415 HB VAL 53 HB VAL 53 10.647 30.975 0.099 416 HG11 VAL 53 HG21 VAL 53 12.983 32.602 0.161 417 HG12 VAL 53 HG22 VAL 53 11.330 33.125 -0.139 418 HG13 VAL 53 HG23 VAL 53 12.368 32.668 -1.485 419 HG21 VAL 53 HG11 VAL 53 12.601 29.980 -1.962 420 HG22 VAL 53 HG12 VAL 53 11.318 31.074 -2.465 421 HG23 VAL 53 HG13 VAL 53 10.917 29.528 -1.726 422 H ARG 54 HN ARG 54 10.537 29.273 1.614 423 HA ARG 54 HA ARG 54 11.359 26.453 1.003 424 HB2 ARG 54 HB2 ARG 54 10.362 27.514 3.298 425 HB3 ARG 54 HB1 ARG 54 8.839 27.131 2.514 426 HG2 ARG 54 HG2 ARG 54 9.758 24.793 2.120 427 HG3 ARG 54 HG1 ARG 54 11.111 25.228 3.156 428 HD2 ARG 54 HD2 ARG 54 8.728 26.014 4.516 429 HD3 ARG 54 HD1 ARG 54 8.484 24.367 3.939 430 HE ARG 54 HE ARG 54 11.002 24.996 5.390 431 HH11 ARG 54 HH11 ARG 54 7.774 23.944 5.567 432 HH12 ARG 54 HH12 ARG 54 8.083 22.647 6.672 433 HH21 ARG 54 HH21 ARG 54 11.552 23.149 6.604 434 HH22 ARG 54 HH22 ARG 54 10.280 22.185 7.276 435 H VAL 55 HN VAL 55 10.540 25.570 -0.767 436 HA VAL 55 HA VAL 55 8.146 26.791 -1.984 437 HB VAL 55 HB VAL 55 9.985 24.695 -3.187 438 HG11 VAL 55 HG11 VAL 55 7.992 24.926 -4.468 439 HG12 VAL 55 HG12 VAL 55 9.175 25.932 -5.297 440 HG13 VAL 55 HG13 VAL 55 7.964 26.674 -4.255 441 HG21 VAL 55 HG21 VAL 55 10.219 27.717 -3.371 442 HG22 VAL 55 HG22 VAL 55 11.238 26.546 -4.203 443 HG23 VAL 55 HG23 VAL 55 11.301 26.678 -2.448 444 H GLU 56 HN GLU 56 6.341 25.699 -2.475 445 HA GLU 56 HA GLU 56 6.144 22.895 -1.460 446 HB2 GLU 56 HB2 GLU 56 4.795 24.448 -0.074 447 HB3 GLU 56 HB1 GLU 56 4.086 25.168 -1.515 448 HG2 GLU 56 HG2 GLU 56 3.059 22.981 -2.091 449 HG3 GLU 56 HG1 GLU 56 3.752 22.279 -0.631 450 H LEU 57 HN LEU 57 5.848 21.517 -3.079 451 HA LEU 57 HA LEU 57 4.922 22.621 -5.674 452 HB2 LEU 57 HB2 LEU 57 5.889 19.797 -4.989 453 HB3 LEU 57 HB1 LEU 57 5.721 20.482 -6.601 454 HG LEU 57 HG LEU 57 7.485 21.838 -4.562 455 HD11 LEU 57 HD11 LEU 57 8.251 19.511 -4.606 456 HD12 LEU 57 HD12 LEU 57 9.386 20.509 -5.509 457 HD13 LEU 57 HD13 LEU 57 8.221 19.506 -6.367 458 HD21 LEU 57 HD21 LEU 57 8.702 22.328 -6.797 459 HD22 LEU 57 HD22 LEU 57 7.162 23.135 -6.524 460 HD23 LEU 57 HD23 LEU 57 7.243 21.724 -7.573 461 H THR 58 HN THR 58 3.152 21.907 -6.749 462 HA THR 58 HA THR 58 1.146 20.575 -5.022 463 HB THR 58 HB THR 58 -0.493 21.668 -6.433 464 HG1 THR 58 HG1 THR 58 1.577 22.242 -8.265 465 HG21 THR 58 HG21 THR 58 1.036 23.357 -5.206 466 HG22 THR 58 HG22 THR 58 0.391 23.992 -6.716 467 HG23 THR 58 HG23 THR 58 2.048 23.401 -6.649 468 HA PRO 59 HA PRO 59 1.416 16.777 -7.236 469 HB2 PRO 59 HB2 PRO 59 -1.367 16.114 -6.954 470 HB3 PRO 59 HB1 PRO 59 -0.048 15.587 -5.907 471 HG2 PRO 59 HG2 PRO 59 -2.120 17.598 -5.363 472 HG3 PRO 59 HG1 PRO 59 -0.958 16.890 -4.241 473 HD2 PRO 59 HD1 PRO 59 -0.888 19.529 -5.320 474 HD3 PRO 59 HD2 PRO 59 0.377 18.730 -4.367 475 H TYR 60 HN TYR 60 -0.553 19.381 -8.141 476 HA TYR 60 HA TYR 60 -1.687 18.066 -10.513 477 HB2 TYR 60 HB2 TYR 60 -2.553 20.169 -9.038 478 HB3 TYR 60 HB1 TYR 60 -1.614 21.066 -10.229 479 HD1 TYR 60 HD2 TYR 60 -2.235 20.997 -12.614 480 HD2 TYR 60 HD1 TYR 60 -4.552 18.924 -9.710 481 HE1 TYR 60 HE2 TYR 60 -4.042 20.721 -14.250 482 HE2 TYR 60 HE1 TYR 60 -6.357 18.648 -11.346 483 HH TYR 60 HH TYR 60 -6.038 18.893 -14.499 484 H ASP 61 HN ASP 61 0.945 20.290 -9.758 485 HA ASP 61 HA ASP 61 2.343 19.531 -12.175 486 HB2 ASP 61 HB2 ASP 61 0.487 21.229 -12.898 487 HB3 ASP 61 HB1 ASP 61 1.453 22.445 -12.069 488 H LEU 62 HN LEU 62 3.956 19.149 -10.592 489 HA LEU 62 HA LEU 62 4.978 20.786 -8.642 490 HB2 LEU 62 HB2 LEU 62 6.672 19.292 -10.706 491 HB3 LEU 62 HB1 LEU 62 7.166 19.721 -9.072 492 HG LEU 62 HG LEU 62 5.057 18.394 -8.317 493 HD11 LEU 62 HD11 LEU 62 5.127 16.453 -10.340 494 HD12 LEU 62 HD12 LEU 62 5.020 17.986 -11.195 495 HD13 LEU 62 HD13 LEU 62 3.803 17.561 -9.997 496 HD21 LEU 62 HD21 LEU 62 7.478 17.707 -8.048 497 HD22 LEU 62 HD22 LEU 62 7.340 16.847 -9.579 498 HD23 LEU 62 HD23 LEU 62 6.364 16.352 -8.201 499 H SER 63 HN SER 63 5.234 21.270 -12.099 500 HA SER 63 HA SER 63 7.350 23.168 -12.159 501 HB2 SER 63 HB2 SER 63 6.456 22.435 -14.297 502 HB3 SER 63 HB1 SER 63 4.793 22.849 -13.830 503 HG SER 63 HG SER 63 6.945 24.523 -14.497 504 H LYS 64 HN LYS 64 4.591 23.256 -10.416 505 HA LYS 64 HA LYS 64 4.780 26.222 -10.126 506 HB2 LYS 64 HB2 LYS 64 2.187 24.561 -10.200 507 HB3 LYS 64 HB1 LYS 64 2.281 26.300 -9.953 508 HG2 LYS 64 HG2 LYS 64 3.075 26.670 -12.181 509 HG3 LYS 64 HG1 LYS 64 3.407 24.960 -12.423 510 HD2 LYS 64 HD2 LYS 64 1.303 24.644 -13.190 511 HD3 LYS 64 HD1 LYS 64 0.648 25.244 -11.673 512 HE2 LYS 64 HE2 LYS 64 1.659 27.131 -13.806 513 HE3 LYS 64 HE1 LYS 64 0.008 26.524 -13.830 514 HZ1 LYS 64 HZ1 LYS 64 -0.252 27.381 -11.555 515 HZ2 LYS 64 HZ2 LYS 64 0.060 28.602 -12.694 516 HZ3 LYS 64 HZ3 LYS 64 1.296 28.071 -11.655 517 H GLY 65 HN GLY 65 4.460 26.946 -8.073 518 HA2 GLY 65 HA2 GLY 65 3.503 25.237 -5.931 519 HA3 GLY 65 HA1 GLY 65 5.262 25.413 -5.908 520 H ARG 66 HN ARG 66 4.538 26.430 -3.786 521 HA ARG 66 HA ARG 66 4.267 29.381 -4.321 522 HB2 ARG 66 HB2 ARG 66 2.173 29.259 -3.329 523 HB3 ARG 66 HB1 ARG 66 2.430 27.599 -2.815 524 HG2 ARG 66 HG2 ARG 66 3.724 28.405 -0.853 525 HG3 ARG 66 HG1 ARG 66 3.462 30.067 -1.368 526 HD2 ARG 66 HD2 ARG 66 0.983 29.653 -1.217 527 HD3 ARG 66 HD1 ARG 66 1.337 28.060 -0.547 528 HE ARG 66 HE ARG 66 2.560 29.339 1.307 529 HH11 ARG 66 HH11 ARG 66 -0.430 30.027 -0.058 530 HH12 ARG 66 HH12 ARG 66 -0.714 31.478 0.844 531 HH21 ARG 66 HH21 ARG 66 2.505 31.476 2.235 532 HH22 ARG 66 HH22 ARG 66 0.995 32.323 2.175 533 H ILE 67 HN ILE 67 5.016 30.709 -2.460 534 HA ILE 67 HA ILE 67 7.357 29.347 -1.169 535 HB ILE 67 HB ILE 67 6.661 32.218 -1.829 536 HG12 ILE 67 HG12 ILE 67 9.182 30.673 -2.423 537 HG13 ILE 67 HG11 ILE 67 7.784 30.610 -3.478 538 HG21 ILE 67 HG21 ILE 67 8.458 31.098 0.282 539 HG22 ILE 67 HG22 ILE 67 7.716 32.692 0.189 540 HG23 ILE 67 HG23 ILE 67 9.177 32.349 -0.722 541 HD11 ILE 67 HD11 ILE 67 7.854 33.174 -3.500 542 HD12 ILE 67 HD12 ILE 67 9.166 32.367 -4.351 543 HD13 ILE 67 HD13 ILE 67 9.439 33.043 -2.750 544 H THR 68 HN THR 68 7.659 29.441 1.081 545 HA THR 68 HA THR 68 5.959 31.006 2.705 546 HB THR 68 HB THR 68 4.225 29.340 2.267 547 HG1 THR 68 HG1 THR 68 4.375 29.661 4.421 548 HG21 THR 68 HG21 THR 68 6.466 27.606 1.807 549 HG22 THR 68 HG22 THR 68 4.769 27.145 1.730 550 HG23 THR 68 HG23 THR 68 5.662 26.967 3.238 551 H TYR 69 HN TYR 69 7.971 31.474 3.280 552 HA TYR 69 HA TYR 69 9.120 31.547 5.493 553 HB2 TYR 69 HB2 TYR 69 8.326 29.164 6.040 554 HB3 TYR 69 HB1 TYR 69 9.630 28.573 5.016 555 HD1 TYR 69 HD2 TYR 69 8.971 30.810 7.920 556 HD2 TYR 69 HD1 TYR 69 11.807 28.364 5.906 557 HE1 TYR 69 HE2 TYR 69 10.538 31.099 9.783 558 HE2 TYR 69 HE1 TYR 69 13.375 28.655 7.767 559 HH TYR 69 HH TYR 69 13.255 30.965 9.935 560 H ARG 70 HN ARG 70 11.013 32.443 5.255 561 HA ARG 70 HA ARG 70 12.976 31.207 3.513 562 HB2 ARG 70 HB2 ARG 70 13.270 33.330 2.201 563 HB3 ARG 70 HB1 ARG 70 11.698 32.581 1.949 564 HG2 ARG 70 HG2 ARG 70 10.910 34.650 2.474 565 HG3 ARG 70 HG1 ARG 70 11.166 34.109 4.128 566 HD2 ARG 70 HD2 ARG 70 13.666 34.991 3.565 567 HD3 ARG 70 HD1 ARG 70 12.741 36.056 2.508 568 HE ARG 70 HE ARG 70 12.077 35.834 5.415 569 HH11 ARG 70 HH21 ARG 70 11.007 37.501 2.904 570 HH12 ARG 70 HH22 ARG 70 11.502 39.081 3.408 571 HH21 ARG 70 HH11 ARG 70 13.548 37.837 5.968 572 HH22 ARG 70 HH12 ARG 70 12.979 39.277 5.194 573 H ALA 71 HN ALA 71 15.054 32.106 3.581 574 HA ALA 71 HA ALA 71 15.544 33.908 5.875 575 HB1 ALA 71 HB1 ALA 71 17.172 31.414 5.211 576 HB2 ALA 71 HB2 ALA 71 15.931 31.453 6.460 577 HB3 ALA 71 HB3 ALA 71 17.375 32.450 6.620 578 H ARG 72 HN ARG 72 17.544 35.053 5.779 579 HA ARG 72 HA ARG 72 18.273 35.762 3.041 580 HB2 ARG 72 HB2 ARG 72 19.757 37.433 4.181 581 HB3 ARG 72 HB1 ARG 72 18.129 37.495 4.838 582 HG2 ARG 72 HG2 ARG 72 20.182 35.691 6.122 583 HG3 ARG 72 HG1 ARG 72 20.206 37.411 6.478 584 HD2 ARG 72 HD2 ARG 72 17.497 36.693 6.723 585 HD3 ARG 72 HD1 ARG 72 18.381 35.362 7.464 586 HE ARG 72 HE ARG 72 18.682 38.222 8.296 587 HH11 ARG 72 HH11 ARG 72 17.365 35.482 9.417 588 HH12 ARG 72 HH12 ARG 72 18.355 35.295 10.825 589 HH21 ARG 72 HH21 ARG 72 20.628 37.761 9.803 590 HH22 ARG 72 HH22 ARG 72 20.253 36.616 11.049 Start of MODEL 5 1 HA MET 1 HA MET 1 2.135 22.315 6.127 2 HB2 MET 1 HB2 MET 1 -0.659 21.780 7.262 3 HB3 MET 1 HB1 MET 1 0.842 21.250 8.012 4 HG2 MET 1 HG2 MET 1 0.035 23.342 9.015 5 HG3 MET 1 HG1 MET 1 1.587 23.546 8.250 6 HE1 MET 1 HE1 MET 1 -1.620 25.106 8.987 7 HE2 MET 1 HE2 MET 1 -2.211 23.913 7.830 8 HE3 MET 1 HE3 MET 1 -2.328 25.634 7.461 9 H SER 2 HN SER 2 2.250 21.191 3.956 10 HA SER 2 HA SER 2 2.212 19.205 2.713 11 HB2 SER 2 HB2 SER 2 1.735 17.896 5.443 12 HB3 SER 2 HB1 SER 2 2.603 17.210 4.055 13 HG SER 2 HG SER 2 3.370 19.201 5.851 14 H LYS 3 HN LYS 3 0.241 19.635 1.655 15 HA LYS 3 HA LYS 3 -2.321 18.962 2.772 16 HB2 LYS 3 HB2 LYS 3 -1.338 19.244 -0.110 17 HB3 LYS 3 HB1 LYS 3 -3.033 19.033 0.315 18 HG2 LYS 3 HG2 LYS 3 -2.890 21.075 1.751 19 HG3 LYS 3 HG1 LYS 3 -1.229 21.304 1.213 20 HD2 LYS 3 HD2 LYS 3 -2.049 21.397 -1.151 21 HD3 LYS 3 HD1 LYS 3 -3.701 21.283 -0.552 22 HE2 LYS 3 HE2 LYS 3 -3.460 23.368 0.676 23 HE3 LYS 3 HE1 LYS 3 -1.747 23.450 0.286 24 HZ1 LYS 3 HZ1 LYS 3 -2.164 24.034 -1.864 25 HZ2 LYS 3 HZ2 LYS 3 -3.482 24.778 -1.092 26 HZ3 LYS 3 HZ3 LYS 3 -3.694 23.300 -1.901 27 H GLU 4 HN GLU 4 -1.593 17.456 -0.254 28 HA GLU 4 HA GLU 4 -1.890 14.764 1.040 29 HB2 GLU 4 HB2 GLU 4 -2.967 15.855 -1.602 30 HB3 GLU 4 HB1 GLU 4 -2.958 14.137 -1.220 31 HG2 GLU 4 HG2 GLU 4 -4.236 16.226 0.573 32 HG3 GLU 4 HG1 GLU 4 -5.129 15.332 -0.656 33 H ASP 5 HN ASP 5 -1.338 15.340 -2.359 34 HA ASP 5 HA ASP 5 1.180 13.799 -2.128 35 HB2 ASP 5 HB2 ASP 5 -0.262 14.825 -4.624 36 HB3 ASP 5 HB1 ASP 5 1.000 13.596 -4.578 37 H SER 6 HN SER 6 0.763 16.734 -1.406 38 HA SER 6 HA SER 6 2.216 18.312 -3.311 39 HB2 SER 6 HB2 SER 6 0.888 19.440 -1.586 40 HB3 SER 6 HB1 SER 6 1.785 18.624 -0.290 41 HG SER 6 HG SER 6 2.422 20.879 -1.413 42 H PHE 7 HN PHE 7 4.280 19.524 -2.215 43 HA PHE 7 HA PHE 7 6.120 17.624 -0.952 44 HB2 PHE 7 HB2 PHE 7 5.919 17.458 -3.706 45 HB3 PHE 7 HB1 PHE 7 7.211 18.639 -3.534 46 HD1 PHE 7 HD2 PHE 7 6.133 15.257 -2.382 47 HD2 PHE 7 HD1 PHE 7 9.401 17.935 -2.943 48 HE1 PHE 7 HE2 PHE 7 7.708 13.456 -1.835 49 HE2 PHE 7 HE1 PHE 7 10.970 16.126 -2.394 50 HZ PHE 7 HZ PHE 7 10.125 13.888 -1.839 51 H GLU 8 HN GLU 8 7.673 18.668 0.139 52 HA GLU 8 HA GLU 8 7.865 21.626 -0.256 53 HB2 GLU 8 HB2 GLU 8 9.083 21.137 2.152 54 HB3 GLU 8 HB1 GLU 8 7.355 21.437 1.999 55 HG2 GLU 8 HG2 GLU 8 6.860 19.084 1.992 56 HG3 GLU 8 HG1 GLU 8 8.559 18.662 1.794 57 H MET 9 HN MET 9 9.788 22.577 -0.649 58 HA MET 9 HA MET 9 12.313 21.168 -0.230 59 HB2 MET 9 HB2 MET 9 11.187 20.385 -2.506 60 HB3 MET 9 HB1 MET 9 11.711 21.957 -3.099 61 HG2 MET 9 HG2 MET 9 13.356 20.092 -3.478 62 HG3 MET 9 HG1 MET 9 13.992 21.483 -2.642 63 HE1 MET 9 HE1 MET 9 13.513 17.212 -1.180 64 HE2 MET 9 HE2 MET 9 13.495 17.829 -2.832 65 HE3 MET 9 HE3 MET 9 12.125 18.128 -1.763 66 H GLU 10 HN GLU 10 13.879 22.610 0.128 67 HA GLU 10 HA GLU 10 13.290 25.426 0.104 68 HB2 GLU 10 HB2 GLU 10 16.069 24.168 0.207 69 HB3 GLU 10 HB1 GLU 10 15.555 25.684 0.936 70 HG2 GLU 10 HG2 GLU 10 14.223 24.553 2.578 71 HG3 GLU 10 HG1 GLU 10 14.348 23.019 1.724 72 H GLY 11 HN GLY 11 14.076 27.062 -1.195 73 HA2 GLY 11 HA2 GLY 11 15.782 26.461 -3.506 74 HA3 GLY 11 HA1 GLY 11 14.097 26.788 -3.935 75 H THR 12 HN THR 12 16.049 28.482 -4.850 76 HA THR 12 HA THR 12 15.885 30.846 -3.014 77 HB THR 12 HB THR 12 17.660 30.412 -5.501 78 HG1 THR 12 HG1 THR 12 18.372 29.040 -3.983 79 HG21 THR 12 HG21 THR 12 18.787 32.398 -4.780 80 HG22 THR 12 HG22 THR 12 18.193 32.241 -3.130 81 HG23 THR 12 HG23 THR 12 17.120 32.819 -4.400 82 H VAL 13 HN VAL 13 15.223 32.850 -3.831 83 HA VAL 13 HA VAL 13 13.401 32.564 -6.255 84 HB VAL 13 HB VAL 13 13.525 34.869 -4.220 85 HG11 VAL 13 HG11 VAL 13 11.117 35.113 -5.073 86 HG12 VAL 13 HG12 VAL 13 11.559 33.994 -6.359 87 HG13 VAL 13 HG13 VAL 13 12.394 35.537 -6.211 88 HG21 VAL 13 HG21 VAL 13 12.972 32.533 -3.250 89 HG22 VAL 13 HG22 VAL 13 11.530 32.563 -4.254 90 HG23 VAL 13 HG23 VAL 13 11.751 33.774 -3.000 91 H VAL 14 HN VAL 14 14.582 33.149 -8.098 92 HA VAL 14 HA VAL 14 15.535 35.915 -8.093 93 HB VAL 14 HB VAL 14 17.390 34.134 -9.486 94 HG11 VAL 14 HG11 VAL 14 17.875 35.977 -7.144 95 HG12 VAL 14 HG12 VAL 14 17.693 36.565 -8.795 96 HG13 VAL 14 HG13 VAL 14 19.032 35.499 -8.381 97 HG21 VAL 14 HG21 VAL 14 17.089 33.773 -6.506 98 HG22 VAL 14 HG22 VAL 14 18.400 33.124 -7.471 99 HG23 VAL 14 HG23 VAL 14 16.758 32.548 -7.715 100 H ASP 15 HN ASP 15 13.774 36.127 -9.263 101 HA ASP 15 HA ASP 15 14.060 36.397 -12.042 102 HB2 ASP 15 HB2 ASP 15 13.792 33.972 -12.209 103 HB3 ASP 15 HB1 ASP 15 12.441 34.023 -11.093 104 H THR 16 HN THR 16 12.429 37.778 -12.732 105 HA THR 16 HA THR 16 10.201 38.166 -10.749 106 HB THR 16 HB THR 16 10.279 40.614 -11.444 107 HG1 THR 16 HG1 THR 16 11.143 40.173 -13.508 108 HG21 THR 16 HG21 THR 16 13.181 40.024 -10.952 109 HG22 THR 16 HG22 THR 16 12.088 39.351 -9.748 110 HG23 THR 16 HG23 THR 16 12.109 41.086 -10.045 111 H LEU 17 HN LEU 17 8.333 37.683 -11.469 112 HA LEU 17 HA LEU 17 7.752 37.910 -14.375 113 HB2 LEU 17 HB2 LEU 17 6.672 36.129 -12.170 114 HB3 LEU 17 HB1 LEU 17 5.875 36.252 -13.715 115 HG LEU 17 HG LEU 17 8.685 35.295 -13.199 116 HD11 LEU 17 HD21 LEU 17 6.329 33.973 -14.535 117 HD12 LEU 17 HD22 LEU 17 6.755 33.742 -12.842 118 HD13 LEU 17 HD23 LEU 17 7.862 33.223 -14.104 119 HD21 LEU 17 HD11 LEU 17 8.387 34.824 -15.809 120 HD22 LEU 17 HD12 LEU 17 9.029 36.359 -15.236 121 HD23 LEU 17 HD13 LEU 17 7.334 36.230 -15.702 122 HA PRO 18 HA PRO 18 4.563 40.685 -13.084 123 HB2 PRO 18 HB2 PRO 18 2.632 40.273 -15.081 124 HB3 PRO 18 HB1 PRO 18 4.113 41.205 -15.318 125 HG2 PRO 18 HG2 PRO 18 3.416 38.575 -16.436 126 HG3 PRO 18 HG1 PRO 18 4.789 39.606 -16.842 127 HD2 PRO 18 HD1 PRO 18 4.739 37.244 -15.137 128 HD3 PRO 18 HD2 PRO 18 6.140 38.175 -15.680 129 H ASN 19 HN ASN 19 2.518 40.915 -12.141 130 HA ASN 19 HA ASN 19 0.512 40.231 -11.144 131 HB2 ASN 19 HB2 ASN 19 0.583 38.604 -13.358 132 HB3 ASN 19 HB1 ASN 19 0.774 37.382 -12.103 133 HD21 ASN 19 HD21 ASN 19 -1.059 40.436 -11.804 134 HD22 ASN 19 HD22 ASN 19 -2.572 39.696 -11.583 135 H THR 20 HN THR 20 2.830 40.347 -9.837 136 HA THR 20 HA THR 20 4.073 39.587 -8.043 137 HB THR 20 HB THR 20 2.048 40.081 -6.751 138 HG1 THR 20 HG1 THR 20 3.692 38.133 -6.256 139 HG21 THR 20 HG21 THR 20 0.233 38.368 -6.487 140 HG22 THR 20 HG22 THR 20 1.046 37.299 -7.616 141 HG23 THR 20 HG23 THR 20 0.352 38.816 -8.179 142 H MET 21 HN MET 21 4.866 38.130 -9.960 143 HA MET 21 HA MET 21 4.847 35.325 -8.836 144 HB2 MET 21 HB2 MET 21 4.531 36.296 -11.706 145 HB3 MET 21 HB1 MET 21 5.199 34.701 -11.387 146 HG2 MET 21 HG2 MET 21 3.055 34.575 -9.779 147 HG3 MET 21 HG1 MET 21 2.444 35.744 -10.916 148 HE1 MET 21 HE1 MET 21 0.753 35.046 -12.284 149 HE2 MET 21 HE2 MET 21 0.417 33.913 -10.976 150 HE3 MET 21 HE3 MET 21 0.347 33.371 -12.653 151 H PHE 22 HN PHE 22 6.799 34.088 -9.233 152 HA PHE 22 HA PHE 22 9.102 35.560 -10.358 153 HB2 PHE 22 HB2 PHE 22 9.157 34.552 -7.461 154 HB3 PHE 22 HB1 PHE 22 10.365 35.546 -8.265 155 HD1 PHE 22 HD1 PHE 22 6.925 35.528 -6.888 156 HD2 PHE 22 HD2 PHE 22 10.059 37.943 -8.474 157 HE1 PHE 22 HE1 PHE 22 5.754 37.552 -6.141 158 HE2 PHE 22 HE2 PHE 22 8.878 39.960 -7.722 159 HZ PHE 22 HZ PHE 22 6.724 39.765 -6.560 160 H ARG 23 HN ARG 23 10.997 34.091 -10.509 161 HA ARG 23 HA ARG 23 10.054 31.248 -10.661 162 HB2 ARG 23 HB2 ARG 23 11.322 32.539 -12.634 163 HB3 ARG 23 HB1 ARG 23 12.757 32.112 -11.717 164 HG2 ARG 23 HG2 ARG 23 12.499 29.846 -12.071 165 HG3 ARG 23 HG1 ARG 23 10.759 29.958 -12.246 166 HD2 ARG 23 HD2 ARG 23 12.699 31.106 -14.268 167 HD3 ARG 23 HD1 ARG 23 11.984 29.502 -14.412 168 HE ARG 23 HE ARG 23 9.991 31.599 -14.033 169 HH11 ARG 23 HH21 ARG 23 11.809 32.232 -16.418 170 HH12 ARG 23 HH22 ARG 23 10.912 31.518 -17.717 171 HH21 ARG 23 HH11 ARG 23 8.891 29.637 -15.556 172 HH22 ARG 23 HH12 ARG 23 9.218 30.007 -17.216 173 H VAL 24 HN VAL 24 10.805 29.727 -9.412 174 HA VAL 24 HA VAL 24 12.902 30.553 -7.450 175 HB VAL 24 HB VAL 24 10.523 28.644 -7.397 176 HG11 VAL 24 HG21 VAL 24 11.696 27.171 -6.160 177 HG12 VAL 24 HG22 VAL 24 11.827 28.423 -4.934 178 HG13 VAL 24 HG23 VAL 24 13.102 28.228 -6.120 179 HG21 VAL 24 HG11 VAL 24 10.208 29.889 -5.199 180 HG22 VAL 24 HG12 VAL 24 10.087 30.891 -6.644 181 HG23 VAL 24 HG13 VAL 24 11.558 30.910 -5.677 182 H GLU 25 HN GLU 25 14.756 29.459 -7.491 183 HA GLU 25 HA GLU 25 14.935 27.292 -9.554 184 HB2 GLU 25 HB2 GLU 25 17.113 28.917 -8.116 185 HB3 GLU 25 HB1 GLU 25 17.384 27.767 -9.422 186 HG2 GLU 25 HG2 GLU 25 15.452 29.337 -10.538 187 HG3 GLU 25 HG1 GLU 25 16.280 30.518 -9.529 188 H LEU 26 HN LEU 26 15.145 25.427 -9.068 189 HA LEU 26 HA LEU 26 16.116 24.501 -6.430 190 HB2 LEU 26 HB2 LEU 26 14.012 23.286 -8.332 191 HB3 LEU 26 HB1 LEU 26 14.653 22.449 -6.935 192 HG LEU 26 HG LEU 26 13.290 25.150 -6.824 193 HD11 LEU 26 HD21 LEU 26 11.293 24.050 -6.211 194 HD12 LEU 26 HD22 LEU 26 12.122 22.535 -5.874 195 HD13 LEU 26 HD23 LEU 26 11.897 23.062 -7.539 196 HD21 LEU 26 HD11 LEU 26 14.642 24.932 -4.901 197 HD22 LEU 26 HD12 LEU 26 14.394 23.195 -4.806 198 HD23 LEU 26 HD13 LEU 26 13.097 24.298 -4.356 199 H GLU 27 HN GLU 27 17.559 25.397 -8.620 200 HA GLU 27 HA GLU 27 18.402 23.852 -10.689 201 HB2 GLU 27 HB2 GLU 27 19.616 25.843 -8.958 202 HB3 GLU 27 HB1 GLU 27 20.822 24.624 -9.359 203 HG2 GLU 27 HG2 GLU 27 20.480 24.941 -11.722 204 HG3 GLU 27 HG1 GLU 27 19.042 25.921 -11.444 205 H ASN 28 HN ASN 28 18.299 22.754 -7.559 206 HA ASN 28 HA ASN 28 20.559 20.979 -7.719 207 HB2 ASN 28 HB2 ASN 28 19.262 21.587 -5.561 208 HB3 ASN 28 HB1 ASN 28 17.933 20.598 -6.162 209 HD21 ASN 28 HD21 ASN 28 20.789 19.223 -7.274 210 HD22 ASN 28 HD22 ASN 28 21.025 18.071 -6.051 211 H GLY 29 HN GLY 29 18.676 21.354 -9.961 212 HA2 GLY 29 HA2 GLY 29 18.505 19.619 -11.695 213 HA3 GLY 29 HA1 GLY 29 17.853 18.563 -10.449 214 H HIS 30 HN HIS 30 16.378 21.323 -9.546 215 HA HIS 30 HA HIS 30 14.155 21.026 -11.558 216 HB2 HIS 30 HB2 HIS 30 14.145 20.884 -8.567 217 HB3 HIS 30 HB1 HIS 30 12.781 21.705 -9.319 218 HD1 HIS 30 HD1 HIS 30 12.619 19.891 -11.771 219 HD2 HIS 30 HD2 HIS 30 12.919 18.460 -7.988 220 HE1 HIS 30 HE1 HIS 30 11.715 17.645 -11.887 221 H VAL 31 HN VAL 31 12.799 22.788 -11.940 222 HA VAL 31 HA VAL 31 13.703 25.510 -10.942 223 HB VAL 31 HB VAL 31 13.368 24.450 -13.771 224 HG11 VAL 31 HG21 VAL 31 11.566 26.056 -13.758 225 HG12 VAL 31 HG22 VAL 31 12.938 26.843 -14.534 226 HG13 VAL 31 HG23 VAL 31 12.539 27.218 -12.860 227 HG21 VAL 31 HG11 VAL 31 15.106 26.490 -12.373 228 HG22 VAL 31 HG12 VAL 31 15.130 26.268 -14.119 229 HG23 VAL 31 HG13 VAL 31 15.601 24.946 -13.058 230 H VAL 32 HN VAL 32 11.823 26.865 -10.426 231 HA VAL 32 HA VAL 32 9.192 25.910 -11.403 232 HB VAL 32 HB VAL 32 9.331 26.444 -8.519 233 HG11 VAL 32 HG21 VAL 32 7.692 24.578 -8.532 234 HG12 VAL 32 HG22 VAL 32 7.910 24.478 -10.271 235 HG13 VAL 32 HG23 VAL 32 7.226 25.929 -9.556 236 HG21 VAL 32 HG11 VAL 32 11.313 24.988 -8.898 237 HG22 VAL 32 HG12 VAL 32 10.263 23.833 -9.706 238 HG23 VAL 32 HG13 VAL 32 10.049 24.164 -7.997 239 H THR 33 HN THR 33 7.427 27.236 -10.645 240 HA THR 33 HA THR 33 8.244 30.093 -10.525 241 HB THR 33 HB THR 33 5.883 28.687 -11.825 242 HG1 THR 33 HG1 THR 33 8.105 29.227 -12.713 243 HG21 THR 33 HG21 THR 33 5.015 30.960 -12.359 244 HG22 THR 33 HG22 THR 33 6.359 31.699 -11.498 245 HG23 THR 33 HG23 THR 33 5.120 30.821 -10.609 246 H ALA 34 HN ALA 34 7.983 30.858 -8.515 247 HA ALA 34 HA ALA 34 5.696 29.716 -6.942 248 HB1 ALA 34 HB1 ALA 34 8.294 29.712 -6.236 249 HB2 ALA 34 HB2 ALA 34 7.021 29.915 -5.042 250 HB3 ALA 34 HB3 ALA 34 7.883 31.323 -5.656 251 H HIS 35 HN HIS 35 5.106 31.424 -5.130 252 HA HIS 35 HA HIS 35 5.134 34.177 -6.084 253 HB2 HIS 35 HB2 HIS 35 2.761 34.349 -6.579 254 HB3 HIS 35 HB1 HIS 35 3.333 32.937 -7.461 255 HD1 HIS 35 HD1 HIS 35 2.013 30.942 -6.957 256 HD2 HIS 35 HD2 HIS 35 1.702 33.568 -3.894 257 HE1 HIS 35 HE1 HIS 35 0.452 29.907 -5.418 258 H ILE 36 HN ILE 36 4.283 35.629 -4.580 259 HA ILE 36 HA ILE 36 4.383 34.609 -1.846 260 HB ILE 36 HB ILE 36 5.443 36.763 -2.297 261 HG12 ILE 36 HG12 ILE 36 2.796 37.413 -0.970 262 HG13 ILE 36 HG11 ILE 36 4.143 36.610 -0.166 263 HG21 ILE 36 HG21 ILE 36 3.964 37.222 -4.365 264 HG22 ILE 36 HG22 ILE 36 4.289 38.630 -3.369 265 HG23 ILE 36 HG23 ILE 36 2.736 37.819 -3.263 266 HD11 ILE 36 HD11 ILE 36 4.054 39.419 -1.304 267 HD12 ILE 36 HD12 ILE 36 5.580 38.614 -0.966 268 HD13 ILE 36 HD13 ILE 36 4.443 38.929 0.340 269 H SER 37 HN SER 37 2.678 33.845 -0.809 270 HA SER 37 HA SER 37 0.027 33.822 -1.804 271 HB2 SER 37 HB2 SER 37 1.350 32.587 0.287 272 HB3 SER 37 HB1 SER 37 0.287 33.704 1.166 273 HG SER 37 HG SER 37 -0.557 32.079 -1.005 274 H GLY 38 HN GLY 38 -1.683 34.523 0.181 275 HA2 GLY 38 HA2 GLY 38 -2.361 37.164 -0.327 276 HA3 GLY 38 HA1 GLY 38 -2.798 36.347 1.172 277 H LYS 39 HN LYS 39 0.293 36.051 1.473 278 HA LYS 39 HA LYS 39 0.722 37.943 3.449 279 HB2 LYS 39 HB2 LYS 39 2.265 36.005 2.426 280 HB3 LYS 39 HB1 LYS 39 2.971 37.335 1.522 281 HG2 LYS 39 HG2 LYS 39 3.363 38.553 3.657 282 HG3 LYS 39 HG1 LYS 39 2.720 37.174 4.540 283 HD2 LYS 39 HD2 LYS 39 4.490 35.734 3.634 284 HD3 LYS 39 HD1 LYS 39 5.109 37.070 2.670 285 HE2 LYS 39 HE2 LYS 39 5.682 38.327 4.667 286 HE3 LYS 39 HE1 LYS 39 4.887 37.140 5.695 287 HZ1 LYS 39 HZ1 LYS 39 7.515 37.154 5.003 288 HZ2 LYS 39 HZ2 LYS 39 6.855 35.964 3.988 289 HZ3 LYS 39 HZ3 LYS 39 6.668 35.844 5.672 290 H MET 40 HN MET 40 0.907 38.344 -0.020 291 HA MET 40 HA MET 40 2.187 40.920 0.019 292 HB2 MET 40 HB2 MET 40 1.353 41.071 -2.323 293 HB3 MET 40 HB1 MET 40 1.998 39.463 -2.020 294 HG2 MET 40 HG2 MET 40 -0.469 38.964 -1.264 295 HG3 MET 40 HG1 MET 40 -0.843 40.349 -2.254 296 HE1 MET 40 HE1 MET 40 -2.198 38.407 -4.918 297 HE2 MET 40 HE2 MET 40 -1.573 40.049 -4.772 298 HE3 MET 40 HE3 MET 40 -2.458 39.320 -3.432 299 H ARG 41 HN ARG 41 -1.171 39.859 0.165 300 HA ARG 41 HA ARG 41 -2.348 42.431 -0.182 301 HB2 ARG 41 HB2 ARG 41 -3.257 39.808 0.347 302 HB3 ARG 41 HB1 ARG 41 -3.752 40.719 1.769 303 HG2 ARG 41 HG2 ARG 41 -4.630 42.490 0.094 304 HG3 ARG 41 HG1 ARG 41 -4.467 41.231 -1.124 305 HD2 ARG 41 HD2 ARG 41 -6.725 41.082 -0.311 306 HD3 ARG 41 HD1 ARG 41 -5.856 39.735 0.423 307 HE ARG 41 HE ARG 41 -5.716 42.021 2.154 308 HH11 ARG 41 HH21 ARG 41 -8.487 40.977 0.740 309 HH12 ARG 41 HH22 ARG 41 -9.252 40.372 2.172 310 HH21 ARG 41 HH11 ARG 41 -6.338 40.676 4.097 311 HH22 ARG 41 HH12 ARG 41 -8.002 40.196 4.122 312 H LYS 42 HN LYS 42 -0.915 40.807 2.543 313 HA LYS 42 HA LYS 42 -1.713 42.954 4.377 314 HB2 LYS 42 HB2 LYS 42 -1.015 40.185 4.613 315 HB3 LYS 42 HB1 LYS 42 0.222 41.084 5.483 316 HG2 LYS 42 HG2 LYS 42 -1.813 42.394 6.496 317 HG3 LYS 42 HG1 LYS 42 -2.746 40.995 5.975 318 HD2 LYS 42 HD2 LYS 42 -0.333 40.970 7.821 319 HD3 LYS 42 HD1 LYS 42 -2.000 40.635 8.277 320 HE2 LYS 42 HE2 LYS 42 -0.306 39.010 6.350 321 HE3 LYS 42 HE1 LYS 42 -0.797 38.521 7.967 322 HZ1 LYS 42 HZ1 LYS 42 -3.141 38.787 7.160 323 HZ2 LYS 42 HZ2 LYS 42 -2.272 37.494 6.485 324 HZ3 LYS 42 HZ3 LYS 42 -2.509 38.918 5.590 325 H ASN 43 HN ASN 43 1.209 41.602 2.930 326 HA ASN 43 HA ASN 43 2.800 43.851 4.058 327 HB2 ASN 43 HB2 ASN 43 3.558 41.259 2.628 328 HB3 ASN 43 HB1 ASN 43 4.737 42.476 3.102 329 HD21 ASN 43 HD21 ASN 43 5.773 41.678 4.936 330 HD22 ASN 43 HD22 ASN 43 4.986 40.999 6.278 331 H TYR 44 HN TYR 44 0.868 43.848 1.673 332 HA TYR 44 HA TYR 44 0.784 44.838 -0.442 333 HB2 TYR 44 HB2 TYR 44 2.177 46.517 1.222 334 HB3 TYR 44 HB1 TYR 44 3.404 46.226 -0.009 335 HD1 TYR 44 HD2 TYR 44 0.030 47.577 0.613 336 HD2 TYR 44 HD1 TYR 44 3.076 47.006 -2.299 337 HE1 TYR 44 HE2 TYR 44 -1.115 49.137 -0.891 338 HE2 TYR 44 HE1 TYR 44 1.927 48.563 -3.805 339 HH TYR 44 HH TYR 44 0.339 50.247 -3.855 340 H ILE 45 HN ILE 45 2.399 45.417 -2.390 341 HA ILE 45 HA ILE 45 3.650 42.852 -3.032 342 HB ILE 45 HB ILE 45 3.383 45.412 -4.677 343 HG12 ILE 45 HG12 ILE 45 1.665 42.906 -4.697 344 HG13 ILE 45 HG11 ILE 45 1.205 44.425 -3.935 345 HG21 ILE 45 HG21 ILE 45 5.125 43.628 -5.370 346 HG22 ILE 45 HG22 ILE 45 3.900 43.981 -6.585 347 HG23 ILE 45 HG23 ILE 45 3.774 42.523 -5.605 348 HD11 ILE 45 HD11 ILE 45 1.740 45.470 -6.282 349 HD12 ILE 45 HD12 ILE 45 0.217 44.616 -6.063 350 HD13 ILE 45 HD13 ILE 45 1.567 43.818 -6.866 351 H ARG 46 HN ARG 46 5.447 42.982 -1.556 352 HA ARG 46 HA ARG 46 7.698 44.490 -2.752 353 HB2 ARG 46 HB2 ARG 46 6.463 44.975 -0.081 354 HB3 ARG 46 HB1 ARG 46 8.219 44.846 -0.065 355 HG2 ARG 46 HG2 ARG 46 6.990 46.523 -2.210 356 HG3 ARG 46 HG1 ARG 46 6.978 47.173 -0.577 357 HD2 ARG 46 HD2 ARG 46 9.037 47.910 -1.581 358 HD3 ARG 46 HD1 ARG 46 9.472 46.608 -0.476 359 HE ARG 46 HE ARG 46 8.948 45.649 -3.176 360 HH11 ARG 46 HH11 ARG 46 11.109 47.935 -2.204 361 HH12 ARG 46 HH12 ARG 46 12.547 47.020 -2.514 362 HH21 ARG 46 HH21 ARG 46 10.776 44.048 -3.078 363 HH22 ARG 46 HH22 ARG 46 12.353 44.763 -3.029 364 H ILE 47 HN ILE 47 8.969 42.819 -3.283 365 HA ILE 47 HA ILE 47 9.797 40.978 -1.082 366 HB ILE 47 HB ILE 47 8.100 40.078 -2.882 367 HG12 ILE 47 HG12 ILE 47 10.723 38.657 -2.294 368 HG13 ILE 47 HG11 ILE 47 9.273 38.622 -1.298 369 HG21 ILE 47 HG21 ILE 47 9.097 39.421 -4.999 370 HG22 ILE 47 HG22 ILE 47 10.721 39.785 -4.427 371 HG23 ILE 47 HG23 ILE 47 9.587 41.092 -4.752 372 HD11 ILE 47 HD11 ILE 47 9.617 37.488 -4.091 373 HD12 ILE 47 HD12 ILE 47 8.043 37.676 -3.325 374 HD13 ILE 47 HD13 ILE 47 9.245 36.604 -2.616 375 H LEU 48 HN LEU 48 11.936 40.292 -1.145 376 HA LEU 48 HA LEU 48 13.697 41.960 -2.847 377 HB2 LEU 48 HB2 LEU 48 13.853 41.198 -0.193 378 HB3 LEU 48 HB1 LEU 48 14.893 39.991 -0.939 379 HG LEU 48 HG LEU 48 16.184 41.795 -2.052 380 HD11 LEU 48 HD11 LEU 48 14.972 43.705 -2.364 381 HD12 LEU 48 HD12 LEU 48 15.529 44.118 -0.744 382 HD13 LEU 48 HD13 LEU 48 13.941 43.390 -0.971 383 HD21 LEU 48 HD21 LEU 48 17.361 42.533 -0.097 384 HD22 LEU 48 HD22 LEU 48 16.698 40.956 0.319 385 HD23 LEU 48 HD23 LEU 48 15.916 42.422 0.901 386 H THR 49 HN THR 49 15.218 41.125 -4.266 387 HA THR 49 HA THR 49 14.504 38.534 -5.449 388 HB THR 49 HB THR 49 16.837 40.469 -6.067 389 HG1 THR 49 HG1 THR 49 14.393 40.924 -6.214 390 HG21 THR 49 HG21 THR 49 15.691 37.973 -7.369 391 HG22 THR 49 HG22 THR 49 17.374 38.484 -7.299 392 HG23 THR 49 HG23 THR 49 16.259 39.272 -8.412 393 H GLY 50 HN GLY 50 15.423 36.766 -5.318 394 HA2 GLY 50 HA2 GLY 50 16.890 35.027 -4.764 395 HA3 GLY 50 HA1 GLY 50 18.092 36.231 -4.344 396 H ASP 51 HN ASP 51 15.128 34.776 -3.347 397 HA ASP 51 HA ASP 51 15.805 35.347 -0.515 398 HB2 ASP 51 HB2 ASP 51 13.512 36.020 -1.746 399 HB3 ASP 51 HB1 ASP 51 13.115 34.343 -1.411 400 H LYS 52 HN LYS 52 16.555 33.570 0.577 401 HA LYS 52 HA LYS 52 16.223 31.011 -0.846 402 HB2 LYS 52 HB2 LYS 52 18.257 31.574 0.661 403 HB3 LYS 52 HB1 LYS 52 17.181 31.524 2.055 404 HG2 LYS 52 HG2 LYS 52 16.563 29.171 1.420 405 HG3 LYS 52 HG1 LYS 52 17.776 29.238 0.146 406 HD2 LYS 52 HD2 LYS 52 19.560 29.451 1.713 407 HD3 LYS 52 HD1 LYS 52 18.461 29.850 3.029 408 HE2 LYS 52 HE2 LYS 52 18.965 27.581 3.430 409 HE3 LYS 52 HE1 LYS 52 17.429 27.498 2.575 410 HZ1 LYS 52 HZ1 LYS 52 19.344 27.534 0.615 411 HZ2 LYS 52 HZ2 LYS 52 18.442 26.191 1.133 412 HZ3 LYS 52 HZ3 LYS 52 19.970 26.499 1.806 413 H VAL 53 HN VAL 53 14.216 30.072 -0.756 414 HA VAL 53 HA VAL 53 12.751 30.283 1.840 415 HB VAL 53 HB VAL 53 10.659 30.713 0.610 416 HG11 VAL 53 HG21 VAL 53 11.772 32.732 1.129 417 HG12 VAL 53 HG22 VAL 53 11.401 32.883 -0.578 418 HG13 VAL 53 HG23 VAL 53 13.029 32.456 -0.065 419 HG21 VAL 53 HG11 VAL 53 11.345 31.249 -1.994 420 HG22 VAL 53 HG12 VAL 53 10.663 29.721 -1.454 421 HG23 VAL 53 HG13 VAL 53 12.405 29.891 -1.637 422 H ARG 54 HN ARG 54 10.593 29.036 1.721 423 HA ARG 54 HA ARG 54 11.452 26.254 0.925 424 HB2 ARG 54 HB2 ARG 54 9.506 27.399 2.946 425 HB3 ARG 54 HB1 ARG 54 9.373 25.722 2.443 426 HG2 ARG 54 HG2 ARG 54 11.737 25.350 3.099 427 HG3 ARG 54 HG1 ARG 54 11.851 27.028 3.620 428 HD2 ARG 54 HD2 ARG 54 11.316 26.012 5.642 429 HD3 ARG 54 HD1 ARG 54 9.696 26.367 5.044 430 HE ARG 54 HE ARG 54 10.983 23.690 4.689 431 HH11 ARG 54 HH21 ARG 54 9.103 24.546 6.997 432 HH12 ARG 54 HH22 ARG 54 7.615 23.838 6.466 433 HH21 ARG 54 HH11 ARG 54 8.795 23.323 3.205 434 HH22 ARG 54 HH12 ARG 54 7.433 23.133 4.259 435 H VAL 55 HN VAL 55 10.594 25.492 -0.867 436 HA VAL 55 HA VAL 55 8.164 26.798 -1.923 437 HB VAL 55 HB VAL 55 9.949 24.770 -3.314 438 HG11 VAL 55 HG11 VAL 55 9.074 26.073 -5.329 439 HG12 VAL 55 HG12 VAL 55 7.944 26.851 -4.223 440 HG13 VAL 55 HG13 VAL 55 7.873 25.110 -4.472 441 HG21 VAL 55 HG21 VAL 55 11.360 26.488 -4.063 442 HG22 VAL 55 HG22 VAL 55 11.093 26.938 -2.386 443 HG23 VAL 55 HG23 VAL 55 10.198 27.748 -3.663 444 H GLU 56 HN GLU 56 6.295 25.869 -1.865 445 HA GLU 56 HA GLU 56 6.154 22.973 -1.212 446 HB2 GLU 56 HB2 GLU 56 4.820 24.210 0.347 447 HB3 GLU 56 HB1 GLU 56 4.302 25.366 -0.875 448 HG2 GLU 56 HG2 GLU 56 2.884 23.711 -1.935 449 HG3 GLU 56 HG1 GLU 56 3.526 22.434 -0.904 450 H LEU 57 HN LEU 57 5.606 21.649 -2.813 451 HA LEU 57 HA LEU 57 4.686 22.875 -5.346 452 HB2 LEU 57 HB2 LEU 57 5.549 20.019 -4.629 453 HB3 LEU 57 HB1 LEU 57 5.151 20.559 -6.253 454 HG LEU 57 HG LEU 57 7.241 22.032 -4.643 455 HD11 LEU 57 HD11 LEU 57 7.402 19.299 -5.755 456 HD12 LEU 57 HD12 LEU 57 8.452 20.100 -4.590 457 HD13 LEU 57 HD13 LEU 57 8.680 20.374 -6.313 458 HD21 LEU 57 HD21 LEU 57 6.140 22.693 -6.970 459 HD22 LEU 57 HD22 LEU 57 7.284 21.517 -7.599 460 HD23 LEU 57 HD23 LEU 57 7.865 22.915 -6.710 461 H THR 58 HN THR 58 2.758 22.447 -6.281 462 HA THR 58 HA THR 58 0.774 21.190 -4.458 463 HB THR 58 HB THR 58 -0.910 22.430 -5.830 464 HG1 THR 58 HG1 THR 58 0.229 22.041 -7.787 465 HG21 THR 58 HG21 THR 58 -0.090 24.168 -4.433 466 HG22 THR 58 HG22 THR 58 0.586 24.757 -5.948 467 HG23 THR 58 HG23 THR 58 1.588 23.829 -4.839 468 HA PRO 59 HA PRO 59 0.405 17.535 -6.839 469 HB2 PRO 59 HB2 PRO 59 -2.482 17.400 -6.581 470 HB3 PRO 59 HB1 PRO 59 -1.281 16.495 -5.659 471 HG2 PRO 59 HG2 PRO 59 -2.900 18.756 -4.773 472 HG3 PRO 59 HG1 PRO 59 -1.794 17.769 -3.817 473 HD2 PRO 59 HD1 PRO 59 -1.379 20.462 -4.674 474 HD3 PRO 59 HD2 PRO 59 -0.206 19.399 -3.872 475 H TYR 60 HN TYR 60 -1.145 20.454 -7.628 476 HA TYR 60 HA TYR 60 -2.513 19.514 -10.015 477 HB2 TYR 60 HB2 TYR 60 -3.233 21.603 -8.910 478 HB3 TYR 60 HB1 TYR 60 -1.628 22.305 -9.119 479 HD1 TYR 60 HD1 TYR 60 -4.514 20.926 -11.043 480 HD2 TYR 60 HD2 TYR 60 -1.093 23.451 -11.120 481 HE1 TYR 60 HE1 TYR 60 -5.148 21.718 -13.274 482 HE2 TYR 60 HE2 TYR 60 -1.726 24.241 -13.352 483 HH TYR 60 HH TYR 60 -4.080 24.404 -14.649 484 H ASP 61 HN ASP 61 0.575 21.136 -9.359 485 HA ASP 61 HA ASP 61 1.836 19.876 -11.613 486 HB2 ASP 61 HB2 ASP 61 0.238 21.831 -12.533 487 HB3 ASP 61 HB1 ASP 61 1.581 22.861 -12.054 488 H LEU 62 HN LEU 62 3.468 19.477 -10.167 489 HA LEU 62 HA LEU 62 4.696 21.058 -8.316 490 HB2 LEU 62 HB2 LEU 62 6.123 19.309 -10.372 491 HB3 LEU 62 HB1 LEU 62 6.773 19.781 -8.808 492 HG LEU 62 HG LEU 62 4.576 18.767 -7.842 493 HD11 LEU 62 HD11 LEU 62 4.294 16.684 -9.675 494 HD12 LEU 62 HD12 LEU 62 4.349 18.130 -10.675 495 HD13 LEU 62 HD13 LEU 62 3.146 17.989 -9.399 496 HD21 LEU 62 HD21 LEU 62 6.831 17.804 -7.510 497 HD22 LEU 62 HD22 LEU 62 6.708 16.983 -9.063 498 HD23 LEU 62 HD23 LEU 62 5.636 16.533 -7.742 499 H SER 63 HN SER 63 5.005 21.413 -11.801 500 HA SER 63 HA SER 63 7.277 23.121 -11.855 501 HB2 SER 63 HB2 SER 63 4.712 23.217 -13.562 502 HB3 SER 63 HB1 SER 63 6.239 24.017 -13.985 503 HG SER 63 HG SER 63 5.624 21.561 -14.506 504 H LYS 64 HN LYS 64 4.386 23.469 -10.290 505 HA LYS 64 HA LYS 64 4.830 26.403 -9.964 506 HB2 LYS 64 HB2 LYS 64 2.108 24.993 -9.969 507 HB3 LYS 64 HB1 LYS 64 2.401 26.728 -9.948 508 HG2 LYS 64 HG2 LYS 64 3.465 25.034 -12.200 509 HG3 LYS 64 HG1 LYS 64 1.804 25.607 -12.223 510 HD2 LYS 64 HD2 LYS 64 2.589 27.917 -11.961 511 HD3 LYS 64 HD1 LYS 64 4.243 27.344 -11.907 512 HE2 LYS 64 HE2 LYS 64 2.506 26.590 -14.234 513 HE3 LYS 64 HE1 LYS 64 3.249 28.184 -14.192 514 HZ1 LYS 64 HZ1 LYS 64 5.123 27.285 -14.882 515 HZ2 LYS 64 HZ2 LYS 64 4.416 25.742 -14.894 516 HZ3 LYS 64 HZ3 LYS 64 5.193 26.309 -13.495 517 H GLY 65 HN GLY 65 4.560 27.171 -7.947 518 HA2 GLY 65 HA2 GLY 65 3.444 25.570 -5.796 519 HA3 GLY 65 HA1 GLY 65 5.206 25.660 -5.737 520 H ARG 66 HN ARG 66 4.464 26.742 -3.662 521 HA ARG 66 HA ARG 66 4.343 29.688 -4.237 522 HB2 ARG 66 HB2 ARG 66 2.835 29.943 -2.263 523 HB3 ARG 66 HB1 ARG 66 2.101 28.853 -3.433 524 HG2 ARG 66 HG2 ARG 66 2.914 26.910 -2.156 525 HG3 ARG 66 HG1 ARG 66 3.702 27.982 -1.005 526 HD2 ARG 66 HD2 ARG 66 0.981 27.090 -1.003 527 HD3 ARG 66 HD1 ARG 66 1.769 28.168 0.149 528 HE ARG 66 HE ARG 66 1.092 29.634 -2.224 529 HH11 ARG 66 HH21 ARG 66 0.485 29.493 0.978 530 HH12 ARG 66 HH22 ARG 66 -1.195 29.913 0.914 531 HH21 ARG 66 HH11 ARG 66 -1.358 29.560 -2.570 532 HH22 ARG 66 HH12 ARG 66 -2.266 29.950 -1.148 533 H ILE 67 HN ILE 67 5.027 30.981 -2.267 534 HA ILE 67 HA ILE 67 7.403 29.583 -1.088 535 HB ILE 67 HB ILE 67 6.622 32.490 -1.481 536 HG12 ILE 67 HG12 ILE 67 9.171 31.096 -2.302 537 HG13 ILE 67 HG11 ILE 67 7.728 31.017 -3.298 538 HG21 ILE 67 HG21 ILE 67 8.481 31.217 0.473 539 HG22 ILE 67 HG22 ILE 67 7.773 32.829 0.505 540 HG23 ILE 67 HG23 ILE 67 9.208 32.515 -0.467 541 HD11 ILE 67 HD11 ILE 67 8.936 33.627 -2.331 542 HD12 ILE 67 HD12 ILE 67 7.659 33.428 -3.526 543 HD13 ILE 67 HD13 ILE 67 9.302 32.912 -3.897 544 H THR 68 HN THR 68 7.729 29.494 1.142 545 HA THR 68 HA THR 68 6.000 30.886 2.910 546 HB THR 68 HB THR 68 4.324 29.197 2.445 547 HG1 THR 68 HG1 THR 68 5.897 28.006 4.476 548 HG21 THR 68 HG21 THR 68 6.674 27.605 1.768 549 HG22 THR 68 HG22 THR 68 4.987 27.184 1.496 550 HG23 THR 68 HG23 THR 68 5.768 26.753 3.014 551 H TYR 69 HN TYR 69 8.021 31.384 3.427 552 HA TYR 69 HA TYR 69 9.163 31.342 5.685 553 HB2 TYR 69 HB2 TYR 69 8.701 28.829 5.946 554 HB3 TYR 69 HB1 TYR 69 9.975 28.530 4.763 555 HD1 TYR 69 HD2 TYR 69 9.203 29.910 8.101 556 HD2 TYR 69 HD1 TYR 69 12.308 28.817 5.408 557 HE1 TYR 69 HE2 TYR 69 10.841 30.130 9.907 558 HE2 TYR 69 HE1 TYR 69 13.951 29.042 7.217 559 HH TYR 69 HH TYR 69 14.232 29.275 9.431 560 H ARG 70 HN ARG 70 10.973 32.465 5.498 561 HA ARG 70 HA ARG 70 12.747 31.847 3.234 562 HB2 ARG 70 HB2 ARG 70 12.794 34.080 2.473 563 HB3 ARG 70 HB1 ARG 70 11.099 33.849 2.898 564 HG2 ARG 70 HG2 ARG 70 11.836 34.677 5.260 565 HG3 ARG 70 HG1 ARG 70 13.254 35.300 4.422 566 HD2 ARG 70 HD2 ARG 70 11.802 36.567 2.882 567 HD3 ARG 70 HD1 ARG 70 10.373 35.926 3.690 568 HE ARG 70 HE ARG 70 12.220 37.951 4.800 569 HH11 ARG 70 HH11 ARG 70 11.260 35.744 6.716 570 HH12 ARG 70 HH12 ARG 70 9.891 36.518 7.441 571 HH21 ARG 70 HH21 ARG 70 9.747 39.010 4.979 572 HH22 ARG 70 HH22 ARG 70 9.011 38.417 6.430 573 H ALA 71 HN ALA 71 14.859 32.599 3.342 574 HA ALA 71 HA ALA 71 15.780 33.411 6.028 575 HB1 ALA 71 HB1 ALA 71 16.459 30.958 4.443 576 HB2 ALA 71 HB2 ALA 71 16.440 31.178 6.190 577 HB3 ALA 71 HB3 ALA 71 17.806 31.761 5.244 578 H ARG 72 HN ARG 72 17.618 34.682 6.038 579 HA ARG 72 HA ARG 72 18.835 35.354 3.402 580 HB2 ARG 72 HB2 ARG 72 18.693 37.818 4.158 581 HB3 ARG 72 HB1 ARG 72 17.156 37.088 3.713 582 HG2 ARG 72 HG2 ARG 72 17.565 36.491 6.464 583 HG3 ARG 72 HG1 ARG 72 17.949 38.196 6.259 584 HD2 ARG 72 HD2 ARG 72 15.438 36.981 5.083 585 HD3 ARG 72 HD1 ARG 72 15.480 37.626 6.722 586 HE ARG 72 HE ARG 72 15.913 39.243 4.253 587 HH11 ARG 72 HH21 ARG 72 17.249 40.167 6.813 588 HH12 ARG 72 HH22 ARG 72 16.069 41.266 7.445 589 HH21 ARG 72 HH11 ARG 72 13.529 40.059 5.353 590 HH22 ARG 72 HH12 ARG 72 13.907 41.203 6.597 Start of MODEL 6 1 HA MET 1 HA MET 1 4.878 8.628 2.260 2 HB2 MET 1 HB2 MET 1 4.549 6.655 0.612 3 HB3 MET 1 HB1 MET 1 6.006 6.589 1.596 4 HG2 MET 1 HG2 MET 1 4.845 5.133 3.208 5 HG3 MET 1 HG1 MET 1 3.396 5.204 2.240 6 HE1 MET 1 HE1 MET 1 4.832 1.528 2.304 7 HE2 MET 1 HE2 MET 1 3.454 2.538 2.740 8 HE3 MET 1 HE3 MET 1 5.012 2.784 3.529 9 H SER 2 HN SER 2 2.461 6.957 3.960 10 HA SER 2 HA SER 2 0.334 6.870 2.108 11 HB2 SER 2 HB2 SER 2 0.337 6.026 4.550 12 HB3 SER 2 HB1 SER 2 0.045 7.706 5.041 13 HG SER 2 HG SER 2 -1.477 6.860 2.920 14 H LYS 3 HN LYS 3 2.003 9.568 3.302 15 HA LYS 3 HA LYS 3 -0.200 11.464 3.145 16 HB2 LYS 3 HB2 LYS 3 1.664 13.161 3.276 17 HB3 LYS 3 HB1 LYS 3 1.805 11.933 4.529 18 HG2 LYS 3 HG2 LYS 3 3.322 10.665 2.868 19 HG3 LYS 3 HG1 LYS 3 3.388 12.174 1.964 20 HD2 LYS 3 HD2 LYS 3 4.161 11.824 4.881 21 HD3 LYS 3 HD1 LYS 3 5.284 12.021 3.540 22 HE2 LYS 3 HE2 LYS 3 3.952 14.205 3.040 23 HE3 LYS 3 HE1 LYS 3 3.350 14.034 4.684 24 HZ1 LYS 3 HZ1 LYS 3 5.293 15.420 4.649 25 HZ2 LYS 3 HZ2 LYS 3 6.196 14.210 3.871 26 HZ3 LYS 3 HZ3 LYS 3 5.649 13.971 5.461 27 H GLU 4 HN GLU 4 -0.889 12.607 1.440 28 HA GLU 4 HA GLU 4 0.783 12.790 -0.986 29 HB2 GLU 4 HB2 GLU 4 -0.485 10.653 -1.255 30 HB3 GLU 4 HB1 GLU 4 -1.997 11.506 -0.963 31 HG2 GLU 4 HG2 GLU 4 -1.681 11.252 -3.375 32 HG3 GLU 4 HG1 GLU 4 -1.508 12.954 -2.955 33 H ASP 5 HN ASP 5 0.768 14.977 -1.006 34 HA ASP 5 HA ASP 5 -1.722 16.281 -1.807 35 HB2 ASP 5 HB2 ASP 5 -2.040 16.370 0.618 36 HB3 ASP 5 HB1 ASP 5 -0.378 16.895 0.871 37 H SER 6 HN SER 6 1.600 16.769 -0.648 38 HA SER 6 HA SER 6 2.286 18.225 -3.062 39 HB2 SER 6 HB2 SER 6 2.924 20.337 -1.561 40 HB3 SER 6 HB1 SER 6 1.230 20.143 -2.051 41 HG SER 6 HG SER 6 2.104 20.229 0.384 42 H PHE 7 HN PHE 7 4.523 19.409 -2.607 43 HA PHE 7 HA PHE 7 6.156 17.690 -0.776 44 HB2 PHE 7 HB2 PHE 7 6.839 18.411 -3.673 45 HB3 PHE 7 HB1 PHE 7 7.861 17.474 -2.586 46 HD1 PHE 7 HD2 PHE 7 4.741 17.453 -4.556 47 HD2 PHE 7 HD1 PHE 7 7.292 15.164 -2.023 48 HE1 PHE 7 HE2 PHE 7 3.558 15.401 -5.208 49 HE2 PHE 7 HE1 PHE 7 6.103 13.119 -2.680 50 HZ PHE 7 HZ PHE 7 4.238 13.236 -4.271 51 H GLU 8 HN GLU 8 7.533 18.822 0.422 52 HA GLU 8 HA GLU 8 7.841 21.714 -0.180 53 HB2 GLU 8 HB2 GLU 8 8.954 21.635 2.177 54 HB3 GLU 8 HB1 GLU 8 7.228 21.299 2.112 55 HG2 GLU 8 HG2 GLU 8 7.688 18.874 2.113 56 HG3 GLU 8 HG1 GLU 8 9.420 19.193 2.133 57 H MET 9 HN MET 9 9.762 22.669 -0.615 58 HA MET 9 HA MET 9 12.291 21.242 -0.279 59 HB2 MET 9 HB2 MET 9 11.154 20.404 -2.482 60 HB3 MET 9 HB1 MET 9 11.490 22.008 -3.119 61 HG2 MET 9 HG2 MET 9 13.892 21.670 -2.417 62 HG3 MET 9 HG1 MET 9 13.491 20.016 -2.041 63 HE1 MET 9 HE1 MET 9 13.792 18.062 -5.039 64 HE2 MET 9 HE2 MET 9 12.346 18.378 -4.081 65 HE3 MET 9 HE3 MET 9 13.917 18.246 -3.289 66 H GLU 10 HN GLU 10 13.792 22.703 0.163 67 HA GLU 10 HA GLU 10 13.232 25.518 0.039 68 HB2 GLU 10 HB2 GLU 10 15.106 23.846 1.305 69 HB3 GLU 10 HB1 GLU 10 16.089 24.809 0.209 70 HG2 GLU 10 HG2 GLU 10 14.857 26.858 1.114 71 HG3 GLU 10 HG1 GLU 10 14.210 25.803 2.367 72 H GLY 11 HN GLY 11 14.060 27.120 -1.272 73 HA2 GLY 11 HA2 GLY 11 15.882 26.444 -3.482 74 HA3 GLY 11 HA1 GLY 11 14.228 26.791 -4.000 75 H THR 12 HN THR 12 16.446 28.394 -4.733 76 HA THR 12 HA THR 12 16.182 30.807 -2.974 77 HB THR 12 HB THR 12 18.046 30.322 -5.399 78 HG1 THR 12 HG1 THR 12 18.188 28.916 -3.485 79 HG21 THR 12 HG21 THR 12 17.694 32.745 -4.551 80 HG22 THR 12 HG22 THR 12 19.346 32.163 -4.384 81 HG23 THR 12 HG23 THR 12 18.278 32.203 -2.984 82 H VAL 13 HN VAL 13 15.467 32.792 -3.807 83 HA VAL 13 HA VAL 13 13.807 32.492 -6.324 84 HB VAL 13 HB VAL 13 13.751 34.713 -4.241 85 HG11 VAL 13 HG11 VAL 13 11.867 33.903 -6.496 86 HG12 VAL 13 HG12 VAL 13 12.806 35.388 -6.379 87 HG13 VAL 13 HG13 VAL 13 11.479 35.093 -5.259 88 HG21 VAL 13 HG21 VAL 13 13.166 32.336 -3.412 89 HG22 VAL 13 HG22 VAL 13 11.859 32.314 -4.595 90 HG23 VAL 13 HG23 VAL 13 11.842 33.487 -3.281 91 H VAL 14 HN VAL 14 14.898 33.166 -8.168 92 HA VAL 14 HA VAL 14 15.689 35.976 -8.119 93 HB VAL 14 HB VAL 14 17.747 34.455 -9.465 94 HG11 VAL 14 HG11 VAL 14 18.013 35.982 -6.882 95 HG12 VAL 14 HG12 VAL 14 17.784 36.803 -8.421 96 HG13 VAL 14 HG13 VAL 14 19.211 35.808 -8.159 97 HG21 VAL 14 HG21 VAL 14 18.707 33.224 -7.595 98 HG22 VAL 14 HG22 VAL 14 17.073 32.640 -7.903 99 HG23 VAL 14 HG23 VAL 14 17.381 33.733 -6.558 100 H ASP 15 HN ASP 15 13.885 35.971 -9.388 101 HA ASP 15 HA ASP 15 14.277 36.380 -12.114 102 HB2 ASP 15 HB2 ASP 15 14.453 34.044 -12.578 103 HB3 ASP 15 HB1 ASP 15 13.286 33.617 -11.348 104 H THR 16 HN THR 16 12.578 37.695 -12.712 105 HA THR 16 HA THR 16 10.217 37.682 -10.843 106 HB THR 16 HB THR 16 11.390 39.847 -10.817 107 HG1 THR 16 HG1 THR 16 9.573 40.893 -11.198 108 HG21 THR 16 HG21 THR 16 12.021 41.009 -12.814 109 HG22 THR 16 HG22 THR 16 10.841 40.146 -13.795 110 HG23 THR 16 HG23 THR 16 12.328 39.344 -13.298 111 H LEU 17 HN LEU 17 8.223 37.446 -11.536 112 HA LEU 17 HA LEU 17 7.788 37.071 -14.449 113 HB2 LEU 17 HB2 LEU 17 6.794 35.683 -12.011 114 HB3 LEU 17 HB1 LEU 17 5.670 35.829 -13.357 115 HG LEU 17 HG LEU 17 7.170 33.770 -13.339 116 HD11 LEU 17 HD21 LEU 17 7.243 33.684 -15.701 117 HD12 LEU 17 HD22 LEU 17 7.518 35.416 -15.826 118 HD13 LEU 17 HD23 LEU 17 5.938 34.809 -15.349 119 HD21 LEU 17 HD11 LEU 17 9.283 35.477 -14.529 120 HD22 LEU 17 HD12 LEU 17 9.428 33.912 -13.740 121 HD23 LEU 17 HD13 LEU 17 9.181 35.360 -12.779 122 HA PRO 18 HA PRO 18 4.733 40.261 -13.822 123 HB2 PRO 18 HB2 PRO 18 3.495 40.180 -16.297 124 HB3 PRO 18 HB1 PRO 18 5.112 40.856 -16.064 125 HG2 PRO 18 HG2 PRO 18 4.328 38.291 -17.363 126 HG3 PRO 18 HG1 PRO 18 5.832 39.202 -17.533 127 HD2 PRO 18 HD1 PRO 18 5.379 36.856 -15.900 128 HD3 PRO 18 HD2 PRO 18 6.857 37.816 -16.042 129 H ASN 19 HN ASN 19 3.019 40.005 -12.633 130 HA ASN 19 HA ASN 19 0.468 39.701 -12.824 131 HB2 ASN 19 HB2 ASN 19 -0.229 37.262 -12.950 132 HB3 ASN 19 HB1 ASN 19 0.516 37.787 -14.448 133 HD21 ASN 19 HD21 ASN 19 3.080 37.682 -12.406 134 HD22 ASN 19 HD22 ASN 19 3.569 36.070 -12.601 135 H THR 20 HN THR 20 2.850 39.793 -11.085 136 HA THR 20 HA THR 20 3.168 39.740 -8.768 137 HB THR 20 HB THR 20 0.627 38.082 -8.393 138 HG1 THR 20 HG1 THR 20 -0.230 39.571 -9.654 139 HG21 THR 20 HG21 THR 20 1.989 38.942 -6.410 140 HG22 THR 20 HG22 THR 20 0.386 39.668 -6.472 141 HG23 THR 20 HG23 THR 20 1.786 40.579 -7.026 142 H MET 21 HN MET 21 4.589 37.995 -10.212 143 HA MET 21 HA MET 21 4.570 35.623 -8.396 144 HB2 MET 21 HB2 MET 21 4.638 35.485 -11.446 145 HB3 MET 21 HB1 MET 21 4.857 34.108 -10.374 146 HG2 MET 21 HG2 MET 21 2.620 34.603 -9.380 147 HG3 MET 21 HG1 MET 21 2.405 35.865 -10.563 148 HE1 MET 21 HE1 MET 21 1.004 32.514 -9.744 149 HE2 MET 21 HE2 MET 21 -0.120 32.897 -11.049 150 HE3 MET 21 HE3 MET 21 0.362 34.149 -9.904 151 H PHE 22 HN PHE 22 6.484 34.293 -8.667 152 HA PHE 22 HA PHE 22 8.839 35.651 -9.791 153 HB2 PHE 22 HB2 PHE 22 8.928 34.620 -6.928 154 HB3 PHE 22 HB1 PHE 22 9.986 35.798 -7.698 155 HD1 PHE 22 HD1 PHE 22 6.630 35.283 -6.215 156 HD2 PHE 22 HD2 PHE 22 9.344 38.144 -7.837 157 HE1 PHE 22 HE1 PHE 22 5.220 37.108 -5.370 158 HE2 PHE 22 HE2 PHE 22 7.926 39.963 -6.987 159 HZ PHE 22 HZ PHE 22 5.867 39.446 -5.754 160 H ARG 23 HN ARG 23 10.751 34.120 -9.629 161 HA ARG 23 HA ARG 23 9.760 31.303 -9.690 162 HB2 ARG 23 HB2 ARG 23 10.280 31.618 -11.912 163 HB3 ARG 23 HB1 ARG 23 11.405 32.890 -11.566 164 HG2 ARG 23 HG2 ARG 23 13.170 31.400 -11.120 165 HG3 ARG 23 HG1 ARG 23 12.067 30.075 -10.752 166 HD2 ARG 23 HD2 ARG 23 11.765 29.531 -12.977 167 HD3 ARG 23 HD1 ARG 23 11.908 31.204 -13.508 168 HE ARG 23 HE ARG 23 14.407 29.994 -12.535 169 HH11 ARG 23 HH11 ARG 23 12.299 29.743 -15.145 170 HH12 ARG 23 HH12 ARG 23 13.478 30.080 -16.368 171 HH21 ARG 23 HH21 ARG 23 15.969 30.878 -14.032 172 HH22 ARG 23 HH22 ARG 23 15.610 30.739 -15.721 173 H VAL 24 HN VAL 24 10.917 29.736 -8.729 174 HA VAL 24 HA VAL 24 13.323 30.682 -7.284 175 HB VAL 24 HB VAL 24 11.252 30.154 -5.871 176 HG11 VAL 24 HG21 VAL 24 10.869 28.090 -7.472 177 HG12 VAL 24 HG22 VAL 24 10.386 28.023 -5.779 178 HG13 VAL 24 HG23 VAL 24 11.895 27.276 -6.296 179 HG21 VAL 24 HG11 VAL 24 13.305 30.141 -4.687 180 HG22 VAL 24 HG12 VAL 24 13.884 28.711 -5.535 181 HG23 VAL 24 HG13 VAL 24 12.614 28.566 -4.326 182 H GLU 25 HN GLU 25 15.103 29.462 -7.344 183 HA GLU 25 HA GLU 25 14.981 27.300 -9.394 184 HB2 GLU 25 HB2 GLU 25 17.319 28.790 -8.073 185 HB3 GLU 25 HB1 GLU 25 17.494 27.551 -9.311 186 HG2 GLU 25 HG2 GLU 25 15.903 28.974 -10.745 187 HG3 GLU 25 HG1 GLU 25 16.161 30.261 -9.568 188 H LEU 26 HN LEU 26 15.018 25.430 -8.935 189 HA LEU 26 HA LEU 26 15.993 24.371 -6.360 190 HB2 LEU 26 HB2 LEU 26 13.785 23.463 -8.301 191 HB3 LEU 26 HB1 LEU 26 14.405 22.417 -7.039 192 HG LEU 26 HG LEU 26 13.279 25.188 -6.559 193 HD11 LEU 26 HD21 LEU 26 11.728 23.230 -7.465 194 HD12 LEU 26 HD22 LEU 26 11.185 24.241 -6.130 195 HD13 LEU 26 HD23 LEU 26 11.857 22.645 -5.809 196 HD21 LEU 26 HD11 LEU 26 14.321 22.942 -4.849 197 HD22 LEU 26 HD12 LEU 26 13.050 23.979 -4.211 198 HD23 LEU 26 HD13 LEU 26 14.592 24.676 -4.693 199 H GLU 27 HN GLU 27 17.425 25.304 -8.521 200 HA GLU 27 HA GLU 27 18.205 23.865 -10.676 201 HB2 GLU 27 HB2 GLU 27 20.571 24.622 -10.135 202 HB3 GLU 27 HB1 GLU 27 19.365 25.900 -10.024 203 HG2 GLU 27 HG2 GLU 27 20.728 26.059 -8.042 204 HG3 GLU 27 HG1 GLU 27 19.187 25.367 -7.540 205 H ASN 28 HN ASN 28 18.089 22.560 -7.635 206 HA ASN 28 HA ASN 28 20.337 20.774 -7.915 207 HB2 ASN 28 HB2 ASN 28 19.091 21.206 -5.707 208 HB3 ASN 28 HB1 ASN 28 17.695 20.366 -6.378 209 HD21 ASN 28 HD21 ASN 28 21.148 19.881 -5.530 210 HD22 ASN 28 HD22 ASN 28 21.019 18.206 -5.296 211 H GLY 29 HN GLY 29 18.470 21.329 -10.128 212 HA2 GLY 29 HA2 GLY 29 18.295 19.731 -11.990 213 HA3 GLY 29 HA1 GLY 29 17.605 18.598 -10.836 214 H HIS 30 HN HIS 30 16.151 21.294 -9.733 215 HA HIS 30 HA HIS 30 13.985 21.223 -11.826 216 HB2 HIS 30 HB2 HIS 30 13.443 19.896 -9.739 217 HB3 HIS 30 HB1 HIS 30 13.558 21.381 -8.807 218 HD1 HIS 30 HD1 HIS 30 12.116 21.830 -12.043 219 HD2 HIS 30 HD2 HIS 30 10.696 20.967 -8.343 220 HE1 HIS 30 HE1 HIS 30 9.734 22.245 -12.185 221 H VAL 31 HN VAL 31 12.704 23.042 -12.097 222 HA VAL 31 HA VAL 31 13.621 25.629 -10.797 223 HB VAL 31 HB VAL 31 14.293 25.041 -13.377 224 HG11 VAL 31 HG21 VAL 31 12.612 25.741 -14.987 225 HG12 VAL 31 HG22 VAL 31 11.499 26.189 -13.698 226 HG13 VAL 31 HG23 VAL 31 11.901 24.495 -13.966 227 HG21 VAL 31 HG11 VAL 31 14.898 27.168 -12.569 228 HG22 VAL 31 HG12 VAL 31 13.231 27.612 -12.211 229 HG23 VAL 31 HG13 VAL 31 13.794 27.569 -13.880 230 H VAL 32 HN VAL 32 11.728 27.035 -10.299 231 HA VAL 32 HA VAL 32 9.122 26.100 -11.373 232 HB VAL 32 HB VAL 32 9.381 26.520 -8.456 233 HG11 VAL 32 HG21 VAL 32 7.151 26.354 -9.143 234 HG12 VAL 32 HG22 VAL 32 7.540 24.738 -8.579 235 HG13 VAL 32 HG23 VAL 32 7.526 25.083 -10.300 236 HG21 VAL 32 HG11 VAL 32 9.798 24.127 -8.123 237 HG22 VAL 32 HG12 VAL 32 11.105 24.829 -9.068 238 HG23 VAL 32 HG13 VAL 32 9.846 23.890 -9.864 239 H THR 33 HN THR 33 7.332 27.346 -10.450 240 HA THR 33 HA THR 33 8.048 30.215 -10.259 241 HB THR 33 HB THR 33 5.627 28.912 -11.567 242 HG1 THR 33 HG1 THR 33 7.754 30.460 -12.617 243 HG21 THR 33 HG21 THR 33 4.847 31.105 -12.036 244 HG22 THR 33 HG22 THR 33 6.468 31.787 -11.946 245 HG23 THR 33 HG23 THR 33 5.593 31.402 -10.468 246 H ALA 34 HN ALA 34 7.233 31.271 -8.495 247 HA ALA 34 HA ALA 34 4.975 29.933 -7.091 248 HB1 ALA 34 HB1 ALA 34 7.062 29.180 -5.982 249 HB2 ALA 34 HB2 ALA 34 6.167 30.250 -4.911 250 HB3 ALA 34 HB3 ALA 34 7.576 30.851 -5.781 251 H HIS 35 HN HIS 35 4.430 31.332 -5.073 252 HA HIS 35 HA HIS 35 4.599 34.215 -5.729 253 HB2 HIS 35 HB2 HIS 35 2.182 34.473 -5.700 254 HB3 HIS 35 HB1 HIS 35 2.506 33.125 -6.784 255 HD1 HIS 35 HD1 HIS 35 1.111 31.222 -6.218 256 HD2 HIS 35 HD2 HIS 35 1.786 33.402 -2.869 257 HE1 HIS 35 HE1 HIS 35 -0.131 30.079 -4.479 258 H ILE 36 HN ILE 36 3.966 35.563 -3.941 259 HA ILE 36 HA ILE 36 4.579 34.206 -1.382 260 HB ILE 36 HB ILE 36 5.697 36.369 -2.102 261 HG12 ILE 36 HG12 ILE 36 4.006 36.781 0.379 262 HG13 ILE 36 HG11 ILE 36 5.344 35.637 0.326 263 HG21 ILE 36 HG21 ILE 36 3.034 37.675 -1.398 264 HG22 ILE 36 HG22 ILE 36 3.397 37.212 -3.057 265 HG23 ILE 36 HG23 ILE 36 4.408 38.395 -2.231 266 HD11 ILE 36 HD11 ILE 36 6.331 37.642 1.124 267 HD12 ILE 36 HD12 ILE 36 5.434 38.637 -0.020 268 HD13 ILE 36 HD13 ILE 36 6.747 37.610 -0.587 269 H SER 37 HN SER 37 3.146 33.862 0.196 270 HA SER 37 HA SER 37 0.373 33.858 -0.237 271 HB2 SER 37 HB2 SER 37 1.697 32.714 1.672 272 HB3 SER 37 HB1 SER 37 1.661 34.277 2.508 273 HG SER 37 HG SER 37 -0.256 32.500 2.421 274 H GLY 38 HN GLY 38 -1.204 35.107 1.244 275 HA2 GLY 38 HA2 GLY 38 -1.318 37.795 0.414 276 HA3 GLY 38 HA1 GLY 38 -2.211 37.158 1.791 277 H LYS 39 HN LYS 39 0.766 36.445 2.677 278 HA LYS 39 HA LYS 39 1.028 38.281 4.738 279 HB2 LYS 39 HB2 LYS 39 3.275 37.040 3.070 280 HB3 LYS 39 HB1 LYS 39 3.485 37.741 4.672 281 HG2 LYS 39 HG2 LYS 39 1.417 35.597 4.242 282 HG3 LYS 39 HG1 LYS 39 3.107 35.148 4.446 283 HD2 LYS 39 HD2 LYS 39 3.170 36.447 6.571 284 HD3 LYS 39 HD1 LYS 39 1.462 36.823 6.373 285 HE2 LYS 39 HE2 LYS 39 2.681 34.061 6.686 286 HE3 LYS 39 HE1 LYS 39 1.674 34.901 7.860 287 HZ1 LYS 39 HZ1 LYS 39 0.104 33.646 6.866 288 HZ2 LYS 39 HZ2 LYS 39 0.923 33.566 5.380 289 HZ3 LYS 39 HZ3 LYS 39 0.054 34.964 5.796 290 H MET 40 HN MET 40 2.065 38.655 1.388 291 HA MET 40 HA MET 40 3.507 41.099 1.772 292 HB2 MET 40 HB2 MET 40 3.447 41.270 -0.630 293 HB3 MET 40 HB1 MET 40 3.437 39.539 -0.311 294 HG2 MET 40 HG2 MET 40 0.898 39.691 -0.348 295 HG3 MET 40 HG1 MET 40 1.085 41.308 -0.970 296 HE1 MET 40 HE1 MET 40 3.794 40.510 -2.943 297 HE2 MET 40 HE2 MET 40 2.606 41.813 -2.943 298 HE3 MET 40 HE3 MET 40 2.787 40.785 -4.365 299 H ARG 41 HN ARG 41 0.135 40.412 0.988 300 HA ARG 41 HA ARG 41 -0.728 43.052 0.504 301 HB2 ARG 41 HB2 ARG 41 -1.924 40.514 0.808 302 HB3 ARG 41 HB1 ARG 41 -2.653 41.479 2.086 303 HG2 ARG 41 HG2 ARG 41 -3.165 43.252 0.384 304 HG3 ARG 41 HG1 ARG 41 -2.553 42.177 -0.866 305 HD2 ARG 41 HD2 ARG 41 -4.743 41.331 1.047 306 HD3 ARG 41 HD1 ARG 41 -5.093 42.128 -0.485 307 HE ARG 41 HE ARG 41 -4.033 39.395 -0.164 308 HH11 ARG 41 HH11 ARG 41 -6.336 40.299 -1.906 309 HH12 ARG 41 HH12 ARG 41 -5.639 40.205 -3.489 310 HH21 ARG 41 HH21 ARG 41 -2.362 40.052 -2.256 311 HH22 ARG 41 HH22 ARG 41 -3.330 40.062 -3.691 312 H LYS 42 HN LYS 42 -0.390 41.297 3.549 313 HA LYS 42 HA LYS 42 -1.337 43.568 5.099 314 HB2 LYS 42 HB2 LYS 42 -0.243 40.814 5.690 315 HB3 LYS 42 HB1 LYS 42 -0.270 42.003 6.988 316 HG2 LYS 42 HG2 LYS 42 -2.351 40.678 6.989 317 HG3 LYS 42 HG1 LYS 42 -2.694 42.360 6.603 318 HD2 LYS 42 HD2 LYS 42 -2.906 41.878 4.264 319 HD3 LYS 42 HD1 LYS 42 -2.218 40.270 4.464 320 HE2 LYS 42 HE2 LYS 42 -4.741 40.305 4.244 321 HE3 LYS 42 HE1 LYS 42 -4.151 39.515 5.701 322 HZ1 LYS 42 HZ1 LYS 42 -4.567 41.527 6.940 323 HZ2 LYS 42 HZ2 LYS 42 -5.987 41.017 6.160 324 HZ3 LYS 42 HZ3 LYS 42 -5.096 42.321 5.536 325 H ASN 43 HN ASN 43 1.775 42.008 4.475 326 HA ASN 43 HA ASN 43 3.194 44.011 6.076 327 HB2 ASN 43 HB2 ASN 43 3.931 41.573 5.784 328 HB3 ASN 43 HB1 ASN 43 4.352 41.970 4.119 329 HD21 ASN 43 HD21 ASN 43 4.782 44.591 6.318 330 HD22 ASN 43 HD22 ASN 43 6.465 44.462 6.491 331 H TYR 44 HN TYR 44 1.643 44.505 3.427 332 HA TYR 44 HA TYR 44 1.880 45.915 1.580 333 HB2 TYR 44 HB2 TYR 44 4.177 47.121 3.185 334 HB3 TYR 44 HB1 TYR 44 3.117 47.948 2.047 335 HD1 TYR 44 HD1 TYR 44 0.455 47.208 2.741 336 HD2 TYR 44 HD2 TYR 44 3.740 47.846 5.366 337 HE1 TYR 44 HE1 TYR 44 -1.102 47.717 4.565 338 HE2 TYR 44 HE2 TYR 44 2.183 48.356 7.190 339 HH TYR 44 HH TYR 44 -0.458 49.308 7.147 340 H ILE 45 HN ILE 45 4.181 47.212 0.606 341 HA ILE 45 HA ILE 45 5.213 45.328 -1.188 342 HB ILE 45 HB ILE 45 6.800 47.697 -0.111 343 HG12 ILE 45 HG12 ILE 45 4.443 47.648 -2.022 344 HG13 ILE 45 HG11 ILE 45 4.560 48.515 -0.494 345 HG21 ILE 45 HG21 ILE 45 6.482 46.676 -2.971 346 HG22 ILE 45 HG22 ILE 45 7.711 46.022 -1.893 347 HG23 ILE 45 HG23 ILE 45 7.747 47.724 -2.339 348 HD11 ILE 45 HD11 ILE 45 6.071 49.060 -3.060 349 HD12 ILE 45 HD12 ILE 45 6.585 49.729 -1.515 350 HD13 ILE 45 HD13 ILE 45 5.009 50.152 -2.177 351 H ARG 46 HN ARG 46 6.511 43.654 -0.967 352 HA ARG 46 HA ARG 46 8.816 43.764 0.853 353 HB2 ARG 46 HB2 ARG 46 6.955 42.976 2.330 354 HB3 ARG 46 HB1 ARG 46 6.588 41.688 1.189 355 HG2 ARG 46 HG2 ARG 46 8.020 40.946 3.130 356 HG3 ARG 46 HG1 ARG 46 8.757 40.658 1.558 357 HD2 ARG 46 HD2 ARG 46 10.177 41.806 3.460 358 HD3 ARG 46 HD1 ARG 46 10.292 42.417 1.810 359 HE ARG 46 HE ARG 46 8.181 43.775 3.215 360 HH11 ARG 46 HH11 ARG 46 10.922 43.478 4.795 361 HH12 ARG 46 HH12 ARG 46 11.569 45.061 4.521 362 HH21 ARG 46 HH21 ARG 46 9.234 45.800 2.012 363 HH22 ARG 46 HH22 ARG 46 10.588 46.411 2.904 364 H ILE 47 HN ILE 47 9.942 43.538 -1.131 365 HA ILE 47 HA ILE 47 9.956 40.732 -2.136 366 HB ILE 47 HB ILE 47 8.773 42.547 -3.605 367 HG12 ILE 47 HG12 ILE 47 9.846 40.197 -4.255 368 HG13 ILE 47 HG11 ILE 47 9.221 41.285 -5.484 369 HG21 ILE 47 HG21 ILE 47 10.386 43.840 -5.058 370 HG22 ILE 47 HG22 ILE 47 11.729 43.248 -4.094 371 HG23 ILE 47 HG23 ILE 47 10.528 44.299 -3.366 372 HD11 ILE 47 HD11 ILE 47 11.463 42.135 -5.943 373 HD12 ILE 47 HD12 ILE 47 11.490 40.381 -6.041 374 HD13 ILE 47 HD13 ILE 47 12.131 41.187 -4.618 375 H LEU 48 HN LEU 48 11.926 39.907 -2.680 376 HA LEU 48 HA LEU 48 14.301 41.635 -2.655 377 HB2 LEU 48 HB2 LEU 48 13.974 41.094 -0.250 378 HB3 LEU 48 HB1 LEU 48 13.837 39.383 -0.631 379 HG LEU 48 HG LEU 48 16.128 39.232 -1.270 380 HD11 LEU 48 HD11 LEU 48 17.512 41.416 -1.294 381 HD12 LEU 48 HD12 LEU 48 15.964 42.250 -1.366 382 HD13 LEU 48 HD13 LEU 48 16.432 41.142 -2.654 383 HD21 LEU 48 HD21 LEU 48 16.105 41.221 1.020 384 HD22 LEU 48 HD22 LEU 48 17.295 39.958 0.718 385 HD23 LEU 48 HD23 LEU 48 15.659 39.528 1.209 386 H THR 49 HN THR 49 15.521 40.937 -4.289 387 HA THR 49 HA THR 49 14.982 38.373 -5.559 388 HB THR 49 HB THR 49 15.958 40.550 -6.688 389 HG1 THR 49 HG1 THR 49 17.322 38.058 -6.918 390 HG21 THR 49 HG21 THR 49 18.612 39.289 -5.859 391 HG22 THR 49 HG22 THR 49 17.920 40.569 -4.868 392 HG23 THR 49 HG23 THR 49 18.343 40.887 -6.547 393 H GLY 50 HN GLY 50 15.764 36.626 -5.293 394 HA2 GLY 50 HA2 GLY 50 17.120 34.838 -4.690 395 HA3 GLY 50 HA1 GLY 50 18.369 35.984 -4.228 396 H ASP 51 HN ASP 51 15.302 34.682 -3.338 397 HA ASP 51 HA ASP 51 15.875 35.290 -0.494 398 HB2 ASP 51 HB2 ASP 51 13.289 34.736 -2.037 399 HB3 ASP 51 HB1 ASP 51 13.352 34.810 -0.279 400 H LYS 52 HN LYS 52 16.649 33.491 0.590 401 HA LYS 52 HA LYS 52 16.231 30.935 -0.779 402 HB2 LYS 52 HB2 LYS 52 17.515 31.849 1.846 403 HB3 LYS 52 HB1 LYS 52 17.087 30.149 1.687 404 HG2 LYS 52 HG2 LYS 52 18.500 29.876 -0.233 405 HG3 LYS 52 HG1 LYS 52 18.713 31.615 -0.407 406 HD2 LYS 52 HD2 LYS 52 20.058 31.753 1.561 407 HD3 LYS 52 HD1 LYS 52 19.585 30.141 2.088 408 HE2 LYS 52 HE2 LYS 52 21.756 29.855 1.166 409 HE3 LYS 52 HE1 LYS 52 20.663 29.294 -0.092 410 HZ1 LYS 52 HZ1 LYS 52 22.603 31.129 -0.424 411 HZ2 LYS 52 HZ2 LYS 52 21.233 32.110 -0.216 412 HZ3 LYS 52 HZ3 LYS 52 21.261 30.938 -1.445 413 H VAL 53 HN VAL 53 14.214 30.100 -0.741 414 HA VAL 53 HA VAL 53 12.704 30.319 1.847 415 HB VAL 53 HB VAL 53 10.640 30.789 0.527 416 HG11 VAL 53 HG21 VAL 53 11.752 32.785 1.185 417 HG12 VAL 53 HG22 VAL 53 11.470 33.000 -0.530 418 HG13 VAL 53 HG23 VAL 53 13.063 32.534 0.047 419 HG21 VAL 53 HG11 VAL 53 11.197 31.390 -1.976 420 HG22 VAL 53 HG12 VAL 53 10.943 29.706 -1.531 421 HG23 VAL 53 HG13 VAL 53 12.578 30.328 -1.729 422 H ARG 54 HN ARG 54 10.543 29.075 1.685 423 HA ARG 54 HA ARG 54 11.368 26.307 0.840 424 HB2 ARG 54 HB2 ARG 54 9.296 27.385 2.800 425 HB3 ARG 54 HB1 ARG 54 9.343 25.691 2.328 426 HG2 ARG 54 HG2 ARG 54 11.728 25.586 3.062 427 HG3 ARG 54 HG1 ARG 54 11.604 27.250 3.621 428 HD2 ARG 54 HD2 ARG 54 9.757 26.576 5.155 429 HD3 ARG 54 HD1 ARG 54 9.951 24.906 4.625 430 HE ARG 54 HE ARG 54 12.455 26.017 5.581 431 HH11 ARG 54 HH11 ARG 54 11.670 23.229 6.049 432 HH12 ARG 54 HH12 ARG 54 11.242 23.209 7.727 433 HH21 ARG 54 HH21 ARG 54 10.941 26.697 7.897 434 HH22 ARG 54 HH22 ARG 54 10.819 25.226 8.802 435 H VAL 55 HN VAL 55 10.576 25.624 -1.000 436 HA VAL 55 HA VAL 55 8.125 26.893 -2.049 437 HB VAL 55 HB VAL 55 9.936 24.978 -3.537 438 HG11 VAL 55 HG11 VAL 55 8.313 27.355 -4.495 439 HG12 VAL 55 HG12 VAL 55 7.698 25.704 -4.475 440 HG13 VAL 55 HG13 VAL 55 9.075 26.118 -5.490 441 HG21 VAL 55 HG21 VAL 55 11.341 26.803 -4.215 442 HG22 VAL 55 HG22 VAL 55 11.249 26.883 -2.460 443 HG23 VAL 55 HG23 VAL 55 10.290 27.985 -3.443 444 H GLU 56 HN GLU 56 6.333 25.784 -2.577 445 HA GLU 56 HA GLU 56 6.292 22.890 -1.844 446 HB2 GLU 56 HB2 GLU 56 4.282 25.143 -1.455 447 HB3 GLU 56 HB1 GLU 56 3.750 23.467 -1.484 448 HG2 GLU 56 HG2 GLU 56 5.574 23.036 0.290 449 HG3 GLU 56 HG1 GLU 56 5.646 24.787 0.467 450 H LEU 57 HN LEU 57 6.130 21.728 -3.626 451 HA LEU 57 HA LEU 57 4.882 22.961 -6.009 452 HB2 LEU 57 HB2 LEU 57 6.150 20.193 -5.790 453 HB3 LEU 57 HB1 LEU 57 5.944 21.170 -7.236 454 HG LEU 57 HG LEU 57 7.401 22.922 -5.836 455 HD11 LEU 57 HD11 LEU 57 7.917 20.239 -4.561 456 HD12 LEU 57 HD12 LEU 57 7.800 21.823 -3.803 457 HD13 LEU 57 HD13 LEU 57 9.239 21.389 -4.719 458 HD21 LEU 57 HD21 LEU 57 8.792 20.542 -7.079 459 HD22 LEU 57 HD22 LEU 57 9.287 22.231 -7.115 460 HD23 LEU 57 HD23 LEU 57 7.896 21.701 -8.056 461 H THR 58 HN THR 58 3.339 21.741 -7.265 462 HA THR 58 HA THR 58 1.654 19.992 -5.505 463 HB THR 58 HB THR 58 -0.320 21.075 -6.467 464 HG1 THR 58 HG1 THR 58 -0.033 22.329 -8.297 465 HG21 THR 58 HG21 THR 58 1.906 23.205 -6.263 466 HG22 THR 58 HG22 THR 58 1.025 22.589 -4.865 467 HG23 THR 58 HG23 THR 58 0.178 23.513 -6.103 468 HA PRO 59 HA PRO 59 2.017 16.835 -8.542 469 HB2 PRO 59 HB2 PRO 59 -0.685 15.864 -8.130 470 HB3 PRO 59 HB1 PRO 59 0.808 15.183 -7.480 471 HG2 PRO 59 HG2 PRO 59 -1.235 16.713 -6.068 472 HG3 PRO 59 HG1 PRO 59 0.194 15.926 -5.395 473 HD2 PRO 59 HD1 PRO 59 -0.215 18.737 -5.739 474 HD3 PRO 59 HD2 PRO 59 1.274 17.923 -5.220 475 H TYR 60 HN TYR 60 -0.671 19.055 -8.484 476 HA TYR 60 HA TYR 60 -1.849 18.294 -10.993 477 HB2 TYR 60 HB2 TYR 60 -2.894 19.827 -9.242 478 HB3 TYR 60 HB1 TYR 60 -1.750 21.077 -9.723 479 HD1 TYR 60 HD2 TYR 60 -4.529 18.943 -10.955 480 HD2 TYR 60 HD1 TYR 60 -2.096 22.346 -11.721 481 HE1 TYR 60 HE2 TYR 60 -5.996 19.572 -12.816 482 HE2 TYR 60 HE1 TYR 60 -3.563 22.975 -13.582 483 HH TYR 60 HH TYR 60 -6.161 22.479 -14.127 484 H ASP 61 HN ASP 61 0.793 20.382 -10.086 485 HA ASP 61 HA ASP 61 1.987 20.226 -12.693 486 HB2 ASP 61 HB2 ASP 61 -0.011 21.924 -12.939 487 HB3 ASP 61 HB1 ASP 61 0.989 23.020 -11.993 488 H LEU 62 HN LEU 62 3.512 19.573 -10.999 489 HA LEU 62 HA LEU 62 4.584 21.078 -8.962 490 HB2 LEU 62 HB2 LEU 62 6.111 19.476 -11.066 491 HB3 LEU 62 HB1 LEU 62 6.766 19.955 -9.502 492 HG LEU 62 HG LEU 62 4.155 18.455 -9.679 493 HD11 LEU 62 HD11 LEU 62 5.842 17.142 -10.916 494 HD12 LEU 62 HD12 LEU 62 5.429 16.368 -9.390 495 HD13 LEU 62 HD13 LEU 62 6.938 17.261 -9.544 496 HD21 LEU 62 HD21 LEU 62 5.062 17.666 -7.411 497 HD22 LEU 62 HD22 LEU 62 4.613 19.366 -7.513 498 HD23 LEU 62 HD23 LEU 62 6.308 18.896 -7.595 499 H SER 63 HN SER 63 4.915 21.709 -12.393 500 HA SER 63 HA SER 63 7.147 23.469 -12.310 501 HB2 SER 63 HB2 SER 63 4.595 23.848 -13.997 502 HB3 SER 63 HB1 SER 63 6.236 24.379 -14.415 503 HG SER 63 HG SER 63 5.484 22.263 -15.275 504 H LYS 64 HN LYS 64 4.299 23.606 -10.670 505 HA LYS 64 HA LYS 64 4.645 26.537 -10.160 506 HB2 LYS 64 HB2 LYS 64 1.997 24.975 -10.249 507 HB3 LYS 64 HB1 LYS 64 2.169 26.697 -9.935 508 HG2 LYS 64 HG2 LYS 64 2.966 27.114 -12.167 509 HG3 LYS 64 HG1 LYS 64 3.141 25.392 -12.490 510 HD2 LYS 64 HD2 LYS 64 0.861 25.072 -12.763 511 HD3 LYS 64 HD1 LYS 64 0.440 26.375 -11.659 512 HE2 LYS 64 HE2 LYS 64 -0.115 27.127 -13.882 513 HE3 LYS 64 HE1 LYS 64 1.333 27.998 -13.391 514 HZ1 LYS 64 HZ1 LYS 64 2.540 27.032 -14.969 515 HZ2 LYS 64 HZ2 LYS 64 1.056 26.611 -15.681 516 HZ3 LYS 64 HZ3 LYS 64 1.873 25.495 -14.695 517 H GLY 65 HN GLY 65 4.376 27.168 -8.083 518 HA2 GLY 65 HA2 GLY 65 3.466 25.354 -5.998 519 HA3 GLY 65 HA1 GLY 65 5.219 25.566 -6.001 520 H ARG 66 HN ARG 66 4.501 26.485 -3.819 521 HA ARG 66 HA ARG 66 4.165 29.455 -4.214 522 HB2 ARG 66 HB2 ARG 66 2.793 29.366 -2.020 523 HB3 ARG 66 HB1 ARG 66 1.993 28.652 -3.416 524 HG2 ARG 66 HG2 ARG 66 2.875 26.408 -2.689 525 HG3 ARG 66 HG1 ARG 66 3.488 27.173 -1.228 526 HD2 ARG 66 HD2 ARG 66 1.204 26.092 -0.972 527 HD3 ARG 66 HD1 ARG 66 1.256 27.798 -0.531 528 HE ARG 66 HE ARG 66 0.558 27.606 -3.290 529 HH11 ARG 66 HH21 ARG 66 -0.960 29.276 -1.437 530 HH12 ARG 66 HH22 ARG 66 -2.467 28.438 -1.269 531 HH21 ARG 66 HH11 ARG 66 -1.173 25.442 -2.550 532 HH22 ARG 66 HH12 ARG 66 -2.591 26.211 -1.916 533 H ILE 67 HN ILE 67 4.973 30.709 -2.339 534 HA ILE 67 HA ILE 67 7.316 29.302 -1.102 535 HB ILE 67 HB ILE 67 6.674 32.210 -1.690 536 HG12 ILE 67 HG12 ILE 67 9.165 30.675 -2.397 537 HG13 ILE 67 HG11 ILE 67 7.717 30.543 -3.388 538 HG21 ILE 67 HG21 ILE 67 9.270 32.153 -0.688 539 HG22 ILE 67 HG22 ILE 67 8.458 30.992 0.355 540 HG23 ILE 67 HG23 ILE 67 7.864 32.645 0.250 541 HD11 ILE 67 HD11 ILE 67 9.042 33.170 -2.636 542 HD12 ILE 67 HD12 ILE 67 7.680 32.963 -3.735 543 HD13 ILE 67 HD13 ILE 67 9.269 32.348 -4.176 544 H THR 68 HN THR 68 7.656 29.384 1.122 545 HA THR 68 HA THR 68 5.963 30.922 2.798 546 HB THR 68 HB THR 68 4.227 29.288 2.575 547 HG1 THR 68 HG1 THR 68 4.856 27.709 4.363 548 HG21 THR 68 HG21 THR 68 5.358 27.652 1.104 549 HG22 THR 68 HG22 THR 68 4.880 26.777 2.556 550 HG23 THR 68 HG23 THR 68 6.551 27.292 2.347 551 H TYR 69 HN TYR 69 7.992 31.422 3.258 552 HA TYR 69 HA TYR 69 9.129 31.385 5.576 553 HB2 TYR 69 HB2 TYR 69 8.917 28.901 5.859 554 HB3 TYR 69 HB1 TYR 69 9.943 28.647 4.447 555 HD1 TYR 69 HD2 TYR 69 9.838 29.796 7.937 556 HD2 TYR 69 HD1 TYR 69 12.349 29.080 4.580 557 HE1 TYR 69 HE2 TYR 69 11.814 29.988 9.374 558 HE2 TYR 69 HE1 TYR 69 14.326 29.268 6.018 559 HH TYR 69 HH TYR 69 15.034 29.272 8.182 560 H ARG 70 HN ARG 70 11.002 32.493 5.465 561 HA ARG 70 HA ARG 70 12.655 32.139 3.050 562 HB2 ARG 70 HB2 ARG 70 12.717 34.531 2.635 563 HB3 ARG 70 HB1 ARG 70 11.023 34.078 2.795 564 HG2 ARG 70 HG2 ARG 70 11.381 34.605 5.327 565 HG3 ARG 70 HG1 ARG 70 12.788 35.503 4.768 566 HD2 ARG 70 HD2 ARG 70 11.323 36.778 3.203 567 HD3 ARG 70 HD1 ARG 70 9.924 35.911 3.834 568 HE ARG 70 HE ARG 70 11.382 37.144 5.988 569 HH11 ARG 70 HH21 ARG 70 8.396 37.093 5.537 570 HH12 ARG 70 HH22 ARG 70 8.052 38.768 5.264 571 HH21 ARG 70 HH11 ARG 70 11.413 39.570 4.675 572 HH22 ARG 70 HH12 ARG 70 9.806 40.209 4.763 573 H ALA 71 HN ALA 71 14.790 32.822 3.181 574 HA ALA 71 HA ALA 71 15.767 33.593 5.854 575 HB1 ALA 71 HB1 ALA 71 15.938 31.125 5.765 576 HB2 ALA 71 HB2 ALA 71 17.554 31.813 5.653 577 HB3 ALA 71 HB3 ALA 71 16.750 31.216 4.206 578 H ARG 72 HN ARG 72 17.761 34.653 5.846 579 HA ARG 72 HA ARG 72 19.402 36.062 4.961 580 HB2 ARG 72 HB2 ARG 72 19.903 33.709 3.844 581 HB3 ARG 72 HB1 ARG 72 19.262 34.460 2.388 582 HG2 ARG 72 HG2 ARG 72 21.483 35.657 4.072 583 HG3 ARG 72 HG1 ARG 72 21.758 34.700 2.621 584 HD2 ARG 72 HD2 ARG 72 20.131 36.380 1.471 585 HD3 ARG 72 HD1 ARG 72 20.449 37.408 2.867 586 HE ARG 72 HE ARG 72 22.247 37.025 0.682 587 HH11 ARG 72 HH11 ARG 72 22.496 39.297 2.496 588 HH12 ARG 72 HH12 ARG 72 23.928 38.940 3.404 589 HH21 ARG 72 HH21 ARG 72 23.895 35.551 2.510 590 HH22 ARG 72 HH22 ARG 72 24.742 36.764 3.411 Start of MODEL 7 1 HA MET 1 HA MET 1 -6.592 20.809 -5.217 2 HB2 MET 1 HB2 MET 1 -5.512 22.545 -3.663 3 HB3 MET 1 HB1 MET 1 -4.988 22.649 -5.340 4 HG2 MET 1 HG2 MET 1 -6.707 24.397 -5.732 5 HG3 MET 1 HG1 MET 1 -7.155 24.319 -4.049 6 HE1 MET 1 HE1 MET 1 -4.647 26.197 -2.109 7 HE2 MET 1 HE2 MET 1 -4.850 24.450 -2.238 8 HE3 MET 1 HE3 MET 1 -6.263 25.505 -2.241 9 H SER 2 HN SER 2 -6.938 20.526 -2.923 10 HA SER 2 HA SER 2 -9.202 21.971 -1.718 11 HB2 SER 2 HB2 SER 2 -10.114 20.007 -3.186 12 HB3 SER 2 HB1 SER 2 -9.388 18.932 -1.975 13 HG SER 2 HG SER 2 -10.531 20.803 -0.600 14 H LYS 3 HN LYS 3 -6.366 20.171 -1.524 15 HA LYS 3 HA LYS 3 -6.401 20.435 1.413 16 HB2 LYS 3 HB2 LYS 3 -5.791 18.047 1.757 17 HB3 LYS 3 HB1 LYS 3 -7.345 18.150 0.935 18 HG2 LYS 3 HG2 LYS 3 -5.945 18.024 -1.257 19 HG3 LYS 3 HG1 LYS 3 -4.650 17.436 -0.223 20 HD2 LYS 3 HD2 LYS 3 -7.430 16.223 -0.412 21 HD3 LYS 3 HD1 LYS 3 -5.982 15.562 -1.160 22 HE2 LYS 3 HE2 LYS 3 -4.936 15.438 1.128 23 HE3 LYS 3 HE1 LYS 3 -6.480 15.928 1.811 24 HZ1 LYS 3 HZ1 LYS 3 -6.497 13.674 -0.037 25 HZ2 LYS 3 HZ2 LYS 3 -7.422 13.943 1.362 26 HZ3 LYS 3 HZ3 LYS 3 -5.814 13.412 1.497 27 H GLU 4 HN GLU 4 -4.133 18.675 1.751 28 HA GLU 4 HA GLU 4 -2.077 20.528 0.704 29 HB2 GLU 4 HB2 GLU 4 -2.062 18.271 2.760 30 HB3 GLU 4 HB1 GLU 4 -0.586 19.085 2.255 31 HG2 GLU 4 HG2 GLU 4 -1.649 21.277 2.902 32 HG3 GLU 4 HG1 GLU 4 -3.014 20.371 3.550 33 H ASP 5 HN ASP 5 -1.291 17.213 1.378 34 HA ASP 5 HA ASP 5 -0.249 15.603 0.034 35 HB2 ASP 5 HB2 ASP 5 -2.725 15.873 -0.914 36 HB3 ASP 5 HB1 ASP 5 -1.915 16.624 -2.286 37 H SER 6 HN SER 6 0.804 18.378 0.077 38 HA SER 6 HA SER 6 1.992 18.591 -2.644 39 HB2 SER 6 HB2 SER 6 2.259 20.456 -0.220 40 HB3 SER 6 HB1 SER 6 2.730 20.828 -1.889 41 HG SER 6 HG SER 6 0.142 20.251 -0.881 42 H PHE 7 HN PHE 7 4.371 19.397 -2.541 43 HA PHE 7 HA PHE 7 5.860 17.559 -0.668 44 HB2 PHE 7 HB2 PHE 7 6.371 18.327 -3.580 45 HB3 PHE 7 HB1 PHE 7 7.603 17.560 -2.582 46 HD1 PHE 7 HD2 PHE 7 4.049 17.126 -3.671 47 HD2 PHE 7 HD1 PHE 7 7.634 15.206 -2.396 48 HE1 PHE 7 HE2 PHE 7 3.034 14.934 -4.103 49 HE2 PHE 7 HE1 PHE 7 6.609 13.016 -2.832 50 HZ PHE 7 HZ PHE 7 4.312 12.880 -3.684 51 H GLU 8 HN GLU 8 7.538 18.402 0.451 52 HA GLU 8 HA GLU 8 7.843 21.336 0.306 53 HB2 GLU 8 HB2 GLU 8 9.055 19.250 2.190 54 HB3 GLU 8 HB1 GLU 8 9.214 20.992 2.387 55 HG2 GLU 8 HG2 GLU 8 6.838 21.253 2.712 56 HG3 GLU 8 HG1 GLU 8 6.531 19.587 2.232 57 H MET 9 HN MET 9 9.635 22.391 -0.309 58 HA MET 9 HA MET 9 12.170 21.011 -0.752 59 HB2 MET 9 HB2 MET 9 10.512 20.645 -2.808 60 HB3 MET 9 HB1 MET 9 10.939 22.308 -3.200 61 HG2 MET 9 HG2 MET 9 12.403 20.622 -4.305 62 HG3 MET 9 HG1 MET 9 13.266 21.772 -3.317 63 HE1 MET 9 HE1 MET 9 15.797 19.266 -2.624 64 HE2 MET 9 HE2 MET 9 15.312 20.885 -3.129 65 HE3 MET 9 HE3 MET 9 15.050 19.512 -4.203 66 H GLU 10 HN GLU 10 13.850 22.436 -0.744 67 HA GLU 10 HA GLU 10 13.115 25.276 -0.306 68 HB2 GLU 10 HB2 GLU 10 15.783 23.809 -0.018 69 HB3 GLU 10 HB1 GLU 10 15.495 25.477 0.455 70 HG2 GLU 10 HG2 GLU 10 13.740 24.708 2.042 71 HG3 GLU 10 HG1 GLU 10 14.089 23.040 1.596 72 H GLY 11 HN GLY 11 14.056 27.002 -1.451 73 HA2 GLY 11 HA2 GLY 11 15.868 26.513 -3.692 74 HA3 GLY 11 HA1 GLY 11 14.217 26.823 -4.225 75 H THR 12 HN THR 12 16.359 28.547 -4.863 76 HA THR 12 HA THR 12 15.980 30.870 -3.007 77 HB THR 12 HB THR 12 17.919 30.577 -5.395 78 HG1 THR 12 HG1 THR 12 18.176 29.010 -3.725 79 HG21 THR 12 HG21 THR 12 17.522 32.503 -3.071 80 HG22 THR 12 HG22 THR 12 17.972 32.880 -4.728 81 HG23 THR 12 HG23 THR 12 19.161 32.187 -3.632 82 H VAL 13 HN VAL 13 15.349 32.909 -3.855 83 HA VAL 13 HA VAL 13 13.681 32.617 -6.373 84 HB VAL 13 HB VAL 13 13.664 34.802 -4.244 85 HG11 VAL 13 HG11 VAL 13 11.864 34.199 -6.623 86 HG12 VAL 13 HG12 VAL 13 12.808 35.656 -6.329 87 HG13 VAL 13 HG13 VAL 13 11.415 35.287 -5.315 88 HG21 VAL 13 HG21 VAL 13 12.902 32.642 -3.322 89 HG22 VAL 13 HG22 VAL 13 11.926 32.315 -4.751 90 HG23 VAL 13 HG23 VAL 13 11.466 33.605 -3.645 91 H VAL 14 HN VAL 14 14.854 33.247 -8.214 92 HA VAL 14 HA VAL 14 15.683 36.047 -8.167 93 HB VAL 14 HB VAL 14 17.604 34.402 -9.612 94 HG11 VAL 14 HG11 VAL 14 17.985 36.193 -7.213 95 HG12 VAL 14 HG12 VAL 14 17.830 36.802 -8.858 96 HG13 VAL 14 HG13 VAL 14 19.195 35.777 -8.424 97 HG21 VAL 14 HG21 VAL 14 17.061 32.718 -7.913 98 HG22 VAL 14 HG22 VAL 14 17.332 33.909 -6.654 99 HG23 VAL 14 HG23 VAL 14 18.676 33.368 -7.645 100 H ASP 15 HN ASP 15 13.856 36.164 -9.327 101 HA ASP 15 HA ASP 15 14.158 36.507 -12.082 102 HB2 ASP 15 HB2 ASP 15 13.593 33.814 -11.264 103 HB3 ASP 15 HB1 ASP 15 12.168 34.441 -12.088 104 H THR 16 HN THR 16 12.359 37.605 -12.897 105 HA THR 16 HA THR 16 10.140 38.009 -10.905 106 HB THR 16 HB THR 16 11.287 40.137 -11.043 107 HG1 THR 16 HG1 THR 16 9.192 39.831 -12.931 108 HG21 THR 16 HG21 THR 16 11.157 40.131 -14.079 109 HG22 THR 16 HG22 THR 16 12.489 39.262 -13.323 110 HG23 THR 16 HG23 THR 16 12.290 40.989 -13.037 111 H LEU 17 HN LEU 17 8.409 37.007 -11.570 112 HA LEU 17 HA LEU 17 7.860 36.791 -14.455 113 HB2 LEU 17 HB2 LEU 17 6.774 35.490 -11.955 114 HB3 LEU 17 HB1 LEU 17 5.931 35.318 -13.482 115 HG LEU 17 HG LEU 17 8.825 34.579 -12.960 116 HD11 LEU 17 HD21 LEU 17 7.100 33.083 -11.977 117 HD12 LEU 17 HD22 LEU 17 8.031 32.303 -13.250 118 HD13 LEU 17 HD23 LEU 17 6.404 32.883 -13.582 119 HD21 LEU 17 HD11 LEU 17 7.175 34.857 -15.432 120 HD22 LEU 17 HD12 LEU 17 8.191 33.425 -15.328 121 HD23 LEU 17 HD13 LEU 17 8.916 35.027 -15.227 122 HA PRO 18 HA PRO 18 4.529 39.698 -14.015 123 HB2 PRO 18 HB2 PRO 18 2.877 38.908 -16.116 124 HB3 PRO 18 HB1 PRO 18 4.398 39.775 -16.351 125 HG2 PRO 18 HG2 PRO 18 3.776 36.946 -16.959 126 HG3 PRO 18 HG1 PRO 18 5.156 37.911 -17.494 127 HD2 PRO 18 HD1 PRO 18 5.083 35.941 -15.358 128 HD3 PRO 18 HD2 PRO 18 6.465 36.872 -15.940 129 H ASN 19 HN ASN 19 2.235 39.988 -13.663 130 HA ASN 19 HA ASN 19 0.115 39.378 -12.880 131 HB2 ASN 19 HB2 ASN 19 0.791 36.428 -12.902 132 HB3 ASN 19 HB1 ASN 19 -0.715 37.221 -13.344 133 HD21 ASN 19 HD21 ASN 19 1.560 35.406 -14.754 134 HD22 ASN 19 HD22 ASN 19 1.627 36.104 -16.300 135 H THR 20 HN THR 20 2.617 39.705 -11.398 136 HA THR 20 HA THR 20 3.235 39.731 -9.151 137 HB THR 20 HB THR 20 0.707 38.153 -8.441 138 HG1 THR 20 HG1 THR 20 0.953 40.917 -9.090 139 HG21 THR 20 HG21 THR 20 2.023 40.669 -7.273 140 HG22 THR 20 HG22 THR 20 2.347 39.050 -6.663 141 HG23 THR 20 HG23 THR 20 0.730 39.733 -6.531 142 H MET 21 HN MET 21 4.658 37.985 -10.405 143 HA MET 21 HA MET 21 4.670 35.670 -8.520 144 HB2 MET 21 HB2 MET 21 4.482 35.497 -11.564 145 HB3 MET 21 HB1 MET 21 5.055 34.152 -10.583 146 HG2 MET 21 HG2 MET 21 2.888 34.553 -9.209 147 HG3 MET 21 HG1 MET 21 2.348 35.458 -10.597 148 HE1 MET 21 HE1 MET 21 2.530 34.752 -12.780 149 HE2 MET 21 HE2 MET 21 0.973 33.925 -12.816 150 HE3 MET 21 HE3 MET 21 2.417 33.114 -13.424 151 H PHE 22 HN PHE 22 6.600 34.341 -8.818 152 HA PHE 22 HA PHE 22 8.912 35.707 -10.046 153 HB2 PHE 22 HB2 PHE 22 9.037 34.769 -7.140 154 HB3 PHE 22 HB1 PHE 22 10.107 35.900 -7.967 155 HD1 PHE 22 HD2 PHE 22 6.598 35.494 -6.758 156 HD2 PHE 22 HD1 PHE 22 9.647 38.242 -7.909 157 HE1 PHE 22 HE2 PHE 22 5.200 37.371 -6.012 158 HE2 PHE 22 HE1 PHE 22 8.236 40.111 -7.158 159 HZ PHE 22 HZ PHE 22 6.016 39.674 -6.210 160 H ARG 23 HN ARG 23 10.827 34.204 -10.018 161 HA ARG 23 HA ARG 23 9.852 31.359 -9.979 162 HB2 ARG 23 HB2 ARG 23 10.622 32.403 -12.208 163 HB3 ARG 23 HB1 ARG 23 12.216 32.389 -11.517 164 HG2 ARG 23 HG2 ARG 23 11.966 29.936 -11.063 165 HG3 ARG 23 HG1 ARG 23 10.503 29.995 -12.029 166 HD2 ARG 23 HD2 ARG 23 13.029 31.158 -13.152 167 HD3 ARG 23 HD1 ARG 23 12.790 29.413 -13.189 168 HE ARG 23 HE ARG 23 11.368 31.355 -14.819 169 HH11 ARG 23 HH11 ARG 23 9.225 29.963 -13.292 170 HH12 ARG 23 HH12 ARG 23 8.887 28.584 -14.286 171 HH21 ARG 23 HH21 ARG 23 11.871 28.910 -16.095 172 HH22 ARG 23 HH22 ARG 23 10.426 27.973 -15.914 173 H VAL 24 HN VAL 24 10.935 29.813 -8.911 174 HA VAL 24 HA VAL 24 13.283 30.788 -7.404 175 HB VAL 24 HB VAL 24 11.298 30.235 -5.984 176 HG11 VAL 24 HG21 VAL 24 10.236 28.190 -6.047 177 HG12 VAL 24 HG22 VAL 24 11.660 27.356 -6.660 178 HG13 VAL 24 HG23 VAL 24 10.695 28.355 -7.739 179 HG21 VAL 24 HG11 VAL 24 12.588 28.269 -4.717 180 HG22 VAL 24 HG12 VAL 24 13.235 29.905 -4.736 181 HG23 VAL 24 HG13 VAL 24 13.865 28.694 -5.847 182 H GLU 25 HN GLU 25 15.109 29.688 -7.566 183 HA GLU 25 HA GLU 25 15.019 27.492 -9.581 184 HB2 GLU 25 HB2 GLU 25 17.214 29.315 -8.474 185 HB3 GLU 25 HB1 GLU 25 17.597 27.894 -9.438 186 HG2 GLU 25 HG2 GLU 25 16.250 28.732 -11.294 187 HG3 GLU 25 HG1 GLU 25 15.708 30.099 -10.325 188 H LEU 26 HN LEU 26 15.282 25.609 -9.085 189 HA LEU 26 HA LEU 26 16.408 24.756 -6.480 190 HB2 LEU 26 HB2 LEU 26 14.519 23.118 -8.265 191 HB3 LEU 26 HB1 LEU 26 14.937 22.811 -6.599 192 HG LEU 26 HG LEU 26 13.910 25.439 -6.634 193 HD11 LEU 26 HD21 LEU 26 13.000 24.862 -8.898 194 HD12 LEU 26 HD22 LEU 26 11.740 25.195 -7.711 195 HD13 LEU 26 HD23 LEU 26 12.117 23.533 -8.152 196 HD21 LEU 26 HD11 LEU 26 12.135 24.446 -5.269 197 HD22 LEU 26 HD12 LEU 26 13.667 23.684 -4.864 198 HD23 LEU 26 HD13 LEU 26 12.510 22.845 -5.894 199 H GLU 27 HN GLU 27 17.812 25.688 -8.612 200 HA GLU 27 HA GLU 27 18.724 24.265 -10.695 201 HB2 GLU 27 HB2 GLU 27 19.621 26.420 -9.458 202 HB3 GLU 27 HB1 GLU 27 20.713 25.290 -8.661 203 HG2 GLU 27 HG2 GLU 27 21.775 26.175 -10.654 204 HG3 GLU 27 HG1 GLU 27 21.428 24.472 -10.882 205 H ASN 28 HN ASN 28 18.643 23.105 -7.547 206 HA ASN 28 HA ASN 28 20.919 21.359 -7.777 207 HB2 ASN 28 HB2 ASN 28 20.135 20.467 -5.709 208 HB3 ASN 28 HB1 ASN 28 19.336 22.036 -5.665 209 HD21 ASN 28 HD21 ASN 28 18.758 18.741 -5.350 210 HD22 ASN 28 HD22 ASN 28 17.091 18.737 -5.671 211 H GLY 29 HN GLY 29 18.982 21.727 -9.977 212 HA2 GLY 29 HA2 GLY 29 18.819 19.986 -11.719 213 HA3 GLY 29 HA1 GLY 29 18.178 18.928 -10.470 214 H HIS 30 HN HIS 30 16.600 21.595 -9.518 215 HA HIS 30 HA HIS 30 14.458 21.337 -11.617 216 HB2 HIS 30 HB2 HIS 30 14.352 20.925 -8.688 217 HB3 HIS 30 HB1 HIS 30 13.033 21.905 -9.331 218 HD1 HIS 30 HD1 HIS 30 11.794 20.724 -11.346 219 HD2 HIS 30 HD2 HIS 30 14.155 18.222 -9.202 220 HE1 HIS 30 HE1 HIS 30 11.059 18.504 -11.970 221 H VAL 31 HN VAL 31 13.033 23.015 -11.972 222 HA VAL 31 HA VAL 31 13.759 25.749 -10.895 223 HB VAL 31 HB VAL 31 14.563 25.129 -13.321 224 HG11 VAL 31 HG21 VAL 31 12.943 25.016 -15.068 225 HG12 VAL 31 HG22 VAL 31 11.647 25.547 -14.000 226 HG13 VAL 31 HG23 VAL 31 12.341 23.941 -13.810 227 HG21 VAL 31 HG11 VAL 31 13.371 27.504 -12.251 228 HG22 VAL 31 HG12 VAL 31 12.905 27.378 -13.946 229 HG23 VAL 31 HG13 VAL 31 14.607 27.380 -13.499 230 H VAL 32 HN VAL 32 11.794 26.963 -10.261 231 HA VAL 32 HA VAL 32 9.216 26.019 -11.399 232 HB VAL 32 HB VAL 32 9.815 25.987 -8.490 233 HG11 VAL 32 HG21 VAL 32 7.596 26.700 -8.601 234 HG12 VAL 32 HG22 VAL 32 7.488 24.962 -8.383 235 HG13 VAL 32 HG23 VAL 32 7.270 25.656 -9.979 236 HG21 VAL 32 HG11 VAL 32 9.337 23.565 -8.647 237 HG22 VAL 32 HG12 VAL 32 10.683 24.013 -9.677 238 HG23 VAL 32 HG13 VAL 32 9.100 23.763 -10.381 239 H THR 33 HN THR 33 7.406 27.229 -10.444 240 HA THR 33 HA THR 33 8.178 30.090 -10.194 241 HB THR 33 HB THR 33 6.170 28.711 -11.857 242 HG1 THR 33 HG1 THR 33 6.680 30.428 -13.038 243 HG21 THR 33 HG21 THR 33 4.558 29.638 -10.161 244 HG22 THR 33 HG22 THR 33 4.499 30.617 -11.622 245 HG23 THR 33 HG23 THR 33 5.390 31.188 -10.214 246 H ALA 34 HN ALA 34 7.268 31.316 -8.576 247 HA ALA 34 HA ALA 34 5.289 29.959 -6.846 248 HB1 ALA 34 HB1 ALA 34 7.683 31.290 -5.568 249 HB2 ALA 34 HB2 ALA 34 7.820 29.628 -6.132 250 HB3 ALA 34 HB3 ALA 34 6.630 30.044 -4.903 251 H HIS 35 HN HIS 35 4.560 31.417 -5.066 252 HA HIS 35 HA HIS 35 4.737 34.298 -5.794 253 HB2 HIS 35 HB2 HIS 35 2.743 33.567 -7.002 254 HB3 HIS 35 HB1 HIS 35 2.188 32.603 -5.636 255 HD1 HIS 35 HD1 HIS 35 0.252 33.854 -4.820 256 HD2 HIS 35 HD2 HIS 35 3.253 36.445 -5.645 257 HE1 HIS 35 HE1 HIS 35 -0.583 36.007 -4.098 258 H ILE 36 HN ILE 36 4.139 35.676 -4.043 259 HA ILE 36 HA ILE 36 4.264 34.264 -1.405 260 HB ILE 36 HB ILE 36 6.020 35.991 -2.013 261 HG12 ILE 36 HG12 ILE 36 4.460 37.228 0.209 262 HG13 ILE 36 HG11 ILE 36 4.894 35.530 0.383 263 HG21 ILE 36 HG21 ILE 36 4.454 37.483 -3.303 264 HG22 ILE 36 HG22 ILE 36 5.290 38.376 -2.036 265 HG23 ILE 36 HG23 ILE 36 3.617 37.882 -1.806 266 HD11 ILE 36 HD11 ILE 36 6.864 37.730 -0.328 267 HD12 ILE 36 HD12 ILE 36 7.252 36.047 0.020 268 HD13 ILE 36 HD13 ILE 36 6.639 37.093 1.299 269 H SER 37 HN SER 37 2.924 34.995 0.319 270 HA SER 37 HA SER 37 0.255 35.727 -0.595 271 HB2 SER 37 HB2 SER 37 0.593 34.007 1.213 272 HB3 SER 37 HB1 SER 37 1.324 35.253 2.243 273 HG SER 37 HG SER 37 -1.293 35.214 1.142 274 H GLY 38 HN GLY 38 -0.655 37.165 1.628 275 HA2 GLY 38 HA2 GLY 38 0.113 39.834 0.842 276 HA3 GLY 38 HA1 GLY 38 -0.937 39.431 2.198 277 H LYS 39 HN LYS 39 1.456 37.573 2.989 278 HA LYS 39 HA LYS 39 2.461 39.131 5.090 279 HB2 LYS 39 HB2 LYS 39 3.838 36.888 3.527 280 HB3 LYS 39 HB1 LYS 39 4.384 37.484 5.091 281 HG2 LYS 39 HG2 LYS 39 1.534 36.572 4.733 282 HG3 LYS 39 HG1 LYS 39 2.808 35.392 5.022 283 HD2 LYS 39 HD2 LYS 39 3.487 36.701 7.054 284 HD3 LYS 39 HD1 LYS 39 2.103 37.756 6.792 285 HE2 LYS 39 HE2 LYS 39 0.554 35.945 7.115 286 HE3 LYS 39 HE1 LYS 39 1.842 34.749 7.056 287 HZ1 LYS 39 HZ1 LYS 39 2.548 36.495 9.058 288 HZ2 LYS 39 HZ2 LYS 39 1.947 34.916 9.240 289 HZ3 LYS 39 HZ3 LYS 39 0.882 36.238 9.266 290 H MET 40 HN MET 40 3.153 39.341 1.758 291 HA MET 40 HA MET 40 5.786 40.518 2.021 292 HB2 MET 40 HB2 MET 40 5.396 39.621 -0.135 293 HB3 MET 40 HB1 MET 40 3.724 40.169 -0.166 294 HG2 MET 40 HG2 MET 40 4.353 42.409 -0.568 295 HG3 MET 40 HG1 MET 40 6.012 42.110 -0.127 296 HE1 MET 40 HE1 MET 40 3.934 41.341 -4.109 297 HE2 MET 40 HE2 MET 40 3.459 42.498 -2.864 298 HE3 MET 40 HE3 MET 40 3.321 40.767 -2.559 299 H ARG 41 HN ARG 41 2.503 41.735 1.544 300 HA ARG 41 HA ARG 41 3.220 44.493 1.364 301 HB2 ARG 41 HB2 ARG 41 0.676 43.026 2.188 302 HB3 ARG 41 HB1 ARG 41 0.750 44.784 2.147 303 HG2 ARG 41 HG2 ARG 41 1.182 44.810 -0.205 304 HG3 ARG 41 HG1 ARG 41 1.550 43.088 -0.231 305 HD2 ARG 41 HD2 ARG 41 -0.811 42.594 0.395 306 HD3 ARG 41 HD1 ARG 41 -1.168 44.319 0.358 307 HE ARG 41 HE ARG 41 -1.000 42.608 -1.948 308 HH11 ARG 41 HH21 ARG 41 -2.559 45.048 -2.050 309 HH12 ARG 41 HH22 ARG 41 -1.597 46.126 -3.005 310 HH21 ARG 41 HH11 ARG 41 1.315 44.217 -2.589 311 HH22 ARG 41 HH12 ARG 41 0.655 45.643 -3.317 312 H LYS 42 HN LYS 42 2.620 42.348 4.060 313 HA LYS 42 HA LYS 42 2.525 44.471 6.029 314 HB2 LYS 42 HB2 LYS 42 3.127 41.506 6.455 315 HB3 LYS 42 HB1 LYS 42 2.502 42.632 7.652 316 HG2 LYS 42 HG2 LYS 42 1.009 42.103 5.079 317 HG3 LYS 42 HG1 LYS 42 0.800 41.062 6.481 318 HD2 LYS 42 HD2 LYS 42 0.152 43.010 7.848 319 HD3 LYS 42 HD1 LYS 42 0.398 44.073 6.468 320 HE2 LYS 42 HE2 LYS 42 -1.535 41.737 6.442 321 HE3 LYS 42 HE1 LYS 42 -2.015 43.379 6.851 322 HZ1 LYS 42 HZ1 LYS 42 -0.507 43.250 4.427 323 HZ2 LYS 42 HZ2 LYS 42 -2.016 43.967 4.729 324 HZ3 LYS 42 HZ3 LYS 42 -1.921 42.313 4.354 325 H ASN 43 HN ASN 43 4.968 42.336 4.708 326 HA ASN 43 HA ASN 43 6.981 43.110 6.666 327 HB2 ASN 43 HB2 ASN 43 6.900 40.926 5.262 328 HB3 ASN 43 HB1 ASN 43 7.464 41.898 3.906 329 HD21 ASN 43 HD21 ASN 43 8.337 41.551 7.399 330 HD22 ASN 43 HD22 ASN 43 10.011 41.497 7.121 331 H TYR 44 HN TYR 44 5.529 45.080 4.778 332 HA TYR 44 HA TYR 44 6.106 47.099 3.739 333 HB2 TYR 44 HB2 TYR 44 8.949 46.734 4.716 334 HB3 TYR 44 HB1 TYR 44 7.987 48.208 4.656 335 HD1 TYR 44 HD2 TYR 44 5.453 47.098 5.922 336 HD2 TYR 44 HD1 TYR 44 9.541 46.720 7.038 337 HE1 TYR 44 HE2 TYR 44 4.784 46.743 8.256 338 HE2 TYR 44 HE1 TYR 44 8.873 46.364 9.369 339 HH TYR 44 HH TYR 44 6.999 46.843 10.842 340 H ILE 45 HN ILE 45 8.772 47.762 2.798 341 HA ILE 45 HA ILE 45 8.662 47.050 0.141 342 HB ILE 45 HB ILE 45 11.207 47.246 1.824 343 HG12 ILE 45 HG12 ILE 45 9.870 49.453 0.245 344 HG13 ILE 45 HG11 ILE 45 9.480 49.157 1.936 345 HG21 ILE 45 HG21 ILE 45 11.675 46.390 -0.434 346 HG22 ILE 45 HG22 ILE 45 12.130 48.092 -0.413 347 HG23 ILE 45 HG23 ILE 45 10.614 47.594 -1.160 348 HD11 ILE 45 HD11 ILE 45 11.227 50.766 2.018 349 HD12 ILE 45 HD12 ILE 45 12.139 49.963 0.743 350 HD13 ILE 45 HD13 ILE 45 12.037 49.237 2.344 351 H ARG 46 HN ARG 46 9.398 45.392 -1.159 352 HA ARG 46 HA ARG 46 9.450 42.764 0.072 353 HB2 ARG 46 HB2 ARG 46 10.283 43.427 -2.784 354 HB3 ARG 46 HB1 ARG 46 9.534 41.948 -2.195 355 HG2 ARG 46 HG2 ARG 46 7.443 43.095 -1.783 356 HG3 ARG 46 HG1 ARG 46 8.172 44.658 -2.122 357 HD2 ARG 46 HD2 ARG 46 8.575 43.994 -4.455 358 HD3 ARG 46 HD1 ARG 46 7.925 42.389 -4.130 359 HE ARG 46 HE ARG 46 5.768 43.310 -4.344 360 HH11 ARG 46 HH11 ARG 46 7.411 45.608 -5.673 361 HH12 ARG 46 HH12 ARG 46 6.646 46.983 -4.947 362 HH21 ARG 46 HH21 ARG 46 5.065 45.054 -2.485 363 HH22 ARG 46 HH22 ARG 46 5.283 46.660 -3.094 364 H ILE 47 HN ILE 47 11.151 41.227 -0.070 365 HA ILE 47 HA ILE 47 13.752 42.361 0.557 366 HB ILE 47 HB ILE 47 13.141 39.439 -0.049 367 HG12 ILE 47 HG12 ILE 47 11.407 40.430 1.493 368 HG13 ILE 47 HG11 ILE 47 12.370 39.156 2.227 369 HG21 ILE 47 HG21 ILE 47 15.458 39.710 0.422 370 HG22 ILE 47 HG22 ILE 47 14.811 39.354 2.021 371 HG23 ILE 47 HG23 ILE 47 15.171 41.017 1.567 372 HD11 ILE 47 HD11 ILE 47 13.818 40.846 3.297 373 HD12 ILE 47 HD12 ILE 47 12.137 41.097 3.753 374 HD13 ILE 47 HD13 ILE 47 12.883 42.131 2.543 375 H LEU 48 HN LEU 48 15.665 42.147 -0.607 376 HA LEU 48 HA LEU 48 15.487 42.484 -3.409 377 HB2 LEU 48 HB2 LEU 48 17.734 41.732 -1.519 378 HB3 LEU 48 HB1 LEU 48 18.025 41.803 -3.254 379 HG LEU 48 HG LEU 48 18.518 43.971 -2.139 380 HD11 LEU 48 HD11 LEU 48 17.128 43.536 -4.481 381 HD12 LEU 48 HD12 LEU 48 17.784 45.090 -3.978 382 HD13 LEU 48 HD13 LEU 48 16.100 44.698 -3.647 383 HD21 LEU 48 HD21 LEU 48 15.540 44.082 -1.602 384 HD22 LEU 48 HD22 LEU 48 16.758 45.247 -1.092 385 HD23 LEU 48 HD23 LEU 48 16.721 43.641 -0.372 386 H THR 49 HN THR 49 16.082 41.163 -5.128 387 HA THR 49 HA THR 49 14.937 38.603 -5.307 388 HB THR 49 HB THR 49 15.837 39.958 -7.283 389 HG1 THR 49 HG1 THR 49 16.565 38.101 -8.302 390 HG21 THR 49 HG21 THR 49 18.157 40.335 -5.978 391 HG22 THR 49 HG22 THR 49 18.197 40.083 -7.721 392 HG23 THR 49 HG23 THR 49 18.558 38.749 -6.630 393 H GLY 50 HN GLY 50 15.634 36.680 -5.289 394 HA2 GLY 50 HA2 GLY 50 16.887 34.786 -4.756 395 HA3 GLY 50 HA1 GLY 50 18.229 35.824 -4.312 396 H ASP 51 HN ASP 51 15.133 34.662 -3.403 397 HA ASP 51 HA ASP 51 15.722 35.284 -0.569 398 HB2 ASP 51 HB2 ASP 51 13.154 34.710 -2.123 399 HB3 ASP 51 HB1 ASP 51 13.203 34.693 -0.364 400 H LYS 52 HN LYS 52 16.490 33.530 0.527 401 HA LYS 52 HA LYS 52 16.173 30.955 -0.824 402 HB2 LYS 52 HB2 LYS 52 17.639 32.047 1.546 403 HB3 LYS 52 HB1 LYS 52 16.978 30.445 1.846 404 HG2 LYS 52 HG2 LYS 52 19.136 30.054 0.916 405 HG3 LYS 52 HG1 LYS 52 18.013 29.768 -0.408 406 HD2 LYS 52 HD2 LYS 52 19.584 31.173 -1.432 407 HD3 LYS 52 HD1 LYS 52 18.378 32.337 -0.893 408 HE2 LYS 52 HE2 LYS 52 20.104 33.375 0.168 409 HE3 LYS 52 HE1 LYS 52 19.991 32.071 1.342 410 HZ1 LYS 52 HZ1 LYS 52 21.499 31.339 -0.977 411 HZ2 LYS 52 HZ2 LYS 52 21.907 31.217 0.666 412 HZ3 LYS 52 HZ3 LYS 52 22.165 32.675 -0.167 413 H VAL 53 HN VAL 53 14.184 29.985 -0.716 414 HA VAL 53 HA VAL 53 12.766 30.145 1.926 415 HB VAL 53 HB VAL 53 10.709 30.855 0.937 416 HG11 VAL 53 HG21 VAL 53 11.257 32.950 0.134 417 HG12 VAL 53 HG22 VAL 53 12.451 32.320 -0.993 418 HG13 VAL 53 HG23 VAL 53 12.849 32.486 0.707 419 HG21 VAL 53 HG11 VAL 53 11.942 29.639 -1.488 420 HG22 VAL 53 HG12 VAL 53 10.859 30.997 -1.766 421 HG23 VAL 53 HG13 VAL 53 10.278 29.565 -0.921 422 H ARG 54 HN ARG 54 10.691 28.845 1.909 423 HA ARG 54 HA ARG 54 11.522 26.152 0.882 424 HB2 ARG 54 HB2 ARG 54 10.823 26.517 3.322 425 HB3 ARG 54 HB1 ARG 54 9.199 26.858 2.737 426 HG2 ARG 54 HG2 ARG 54 8.936 24.658 1.876 427 HG3 ARG 54 HG1 ARG 54 10.661 24.327 1.968 428 HD2 ARG 54 HD2 ARG 54 8.676 24.529 4.251 429 HD3 ARG 54 HD1 ARG 54 9.733 23.179 3.845 430 HE ARG 54 HE ARG 54 11.525 25.189 4.385 431 HH11 ARG 54 HH11 ARG 54 11.083 22.875 6.225 432 HH12 ARG 54 HH12 ARG 54 10.632 23.655 7.705 433 HH21 ARG 54 HH21 ARG 54 9.933 26.703 6.121 434 HH22 ARG 54 HH22 ARG 54 9.963 25.879 7.645 435 H VAL 55 HN VAL 55 10.665 25.485 -0.931 436 HA VAL 55 HA VAL 55 8.218 26.785 -1.904 437 HB VAL 55 HB VAL 55 9.755 24.826 -3.563 438 HG11 VAL 55 HG11 VAL 55 8.785 27.638 -4.160 439 HG12 VAL 55 HG12 VAL 55 7.764 26.213 -4.329 440 HG13 VAL 55 HG13 VAL 55 9.208 26.383 -5.321 441 HG21 VAL 55 HG21 VAL 55 11.536 26.073 -2.369 442 HG22 VAL 55 HG22 VAL 55 10.798 27.593 -2.860 443 HG23 VAL 55 HG23 VAL 55 11.484 26.514 -4.068 444 H GLU 56 HN GLU 56 6.360 25.753 -2.165 445 HA GLU 56 HA GLU 56 6.319 22.839 -1.510 446 HB2 GLU 56 HB2 GLU 56 3.924 24.724 -1.529 447 HB3 GLU 56 HB1 GLU 56 4.076 23.190 -0.693 448 HG2 GLU 56 HG2 GLU 56 5.841 25.558 -0.026 449 HG3 GLU 56 HG1 GLU 56 4.288 25.298 0.761 450 H LEU 57 HN LEU 57 5.677 21.497 -3.075 451 HA LEU 57 HA LEU 57 4.984 22.765 -5.658 452 HB2 LEU 57 HB2 LEU 57 5.553 19.844 -4.941 453 HB3 LEU 57 HB1 LEU 57 5.376 20.478 -6.574 454 HG LEU 57 HG LEU 57 7.414 21.676 -4.688 455 HD11 LEU 57 HD11 LEU 57 8.057 19.381 -4.642 456 HD12 LEU 57 HD12 LEU 57 9.040 20.089 -5.922 457 HD13 LEU 57 HD13 LEU 57 7.612 19.138 -6.329 458 HD21 LEU 57 HD21 LEU 57 6.962 21.524 -7.675 459 HD22 LEU 57 HD22 LEU 57 8.535 21.955 -7.010 460 HD23 LEU 57 HD23 LEU 57 7.128 22.959 -6.666 461 H THR 58 HN THR 58 3.065 22.802 -6.465 462 HA THR 58 HA THR 58 0.770 21.954 -4.931 463 HB THR 58 HB THR 58 -0.437 22.801 -6.981 464 HG1 THR 58 HG1 THR 58 1.564 21.647 -8.111 465 HG21 THR 58 HG21 THR 58 0.456 25.008 -6.906 466 HG22 THR 58 HG22 THR 58 2.116 24.429 -7.021 467 HG23 THR 58 HG23 THR 58 1.261 24.357 -5.481 468 HA PRO 59 HA PRO 59 -0.000 17.791 -5.877 469 HB2 PRO 59 HB2 PRO 59 -2.547 18.443 -7.265 470 HB3 PRO 59 HB1 PRO 59 -2.295 17.492 -5.798 471 HG2 PRO 59 HG2 PRO 59 -3.258 20.187 -5.928 472 HG3 PRO 59 HG1 PRO 59 -2.803 19.307 -4.466 473 HD2 PRO 59 HD1 PRO 59 -1.409 21.510 -5.672 474 HD3 PRO 59 HD2 PRO 59 -0.912 20.591 -4.253 475 H TYR 60 HN TYR 60 -0.162 20.255 -8.285 476 HA TYR 60 HA TYR 60 -0.114 18.355 -10.527 477 HB2 TYR 60 HB2 TYR 60 0.751 21.215 -10.861 478 HB3 TYR 60 HB1 TYR 60 -0.358 20.274 -11.853 479 HD1 TYR 60 HD1 TYR 60 -2.340 19.315 -9.949 480 HD2 TYR 60 HD2 TYR 60 -0.424 23.110 -10.107 481 HE1 TYR 60 HE1 TYR 60 -4.238 20.323 -8.765 482 HE2 TYR 60 HE2 TYR 60 -2.320 24.116 -8.924 483 HH TYR 60 HH TYR 60 -4.951 22.155 -7.648 484 H ASP 61 HN ASP 61 2.090 20.370 -8.701 485 HA ASP 61 HA ASP 61 4.420 20.573 -8.730 486 HB2 ASP 61 HB2 ASP 61 4.014 18.316 -7.692 487 HB3 ASP 61 HB1 ASP 61 4.116 17.579 -9.288 488 H LEU 62 HN LEU 62 3.301 21.145 -11.312 489 HA LEU 62 HA LEU 62 5.168 19.804 -13.159 490 HB2 LEU 62 HB2 LEU 62 3.658 21.862 -14.477 491 HB3 LEU 62 HB1 LEU 62 3.476 20.123 -14.645 492 HG LEU 62 HG LEU 62 2.129 20.261 -12.430 493 HD11 LEU 62 HD11 LEU 62 2.408 22.461 -11.615 494 HD12 LEU 62 HD12 LEU 62 0.909 22.641 -12.515 495 HD13 LEU 62 HD13 LEU 62 2.431 23.157 -13.229 496 HD21 LEU 62 HD21 LEU 62 0.121 21.153 -13.880 497 HD22 LEU 62 HD22 LEU 62 0.924 19.654 -14.327 498 HD23 LEU 62 HD23 LEU 62 1.314 21.148 -15.175 499 H SER 63 HN SER 63 4.098 23.171 -12.779 500 HA SER 63 HA SER 63 6.960 24.005 -12.869 501 HB2 SER 63 HB2 SER 63 6.054 24.246 -15.180 502 HB3 SER 63 HB1 SER 63 4.688 25.192 -14.559 503 HG SER 63 HG SER 63 6.420 26.509 -13.527 504 H LYS 64 HN LYS 64 4.095 24.159 -11.210 505 HA LYS 64 HA LYS 64 4.776 26.903 -10.176 506 HB2 LYS 64 HB2 LYS 64 2.038 25.582 -9.972 507 HB3 LYS 64 HB1 LYS 64 2.433 27.284 -9.778 508 HG2 LYS 64 HG2 LYS 64 2.854 27.560 -12.116 509 HG3 LYS 64 HG1 LYS 64 2.896 25.822 -12.391 510 HD2 LYS 64 HD2 LYS 64 0.573 25.599 -12.198 511 HD3 LYS 64 HD1 LYS 64 0.411 27.076 -11.256 512 HE2 LYS 64 HE2 LYS 64 -0.420 27.389 -13.569 513 HE3 LYS 64 HE1 LYS 64 0.966 28.422 -13.243 514 HZ1 LYS 64 HZ1 LYS 64 1.288 25.758 -14.471 515 HZ2 LYS 64 HZ2 LYS 64 2.365 27.070 -14.485 516 HZ3 LYS 64 HZ3 LYS 64 0.942 27.130 -15.409 517 H GLY 65 HN GLY 65 4.639 27.357 -8.085 518 HA2 GLY 65 HA2 GLY 65 4.019 25.330 -6.063 519 HA3 GLY 65 HA1 GLY 65 5.722 25.796 -6.155 520 H ARG 66 HN ARG 66 4.993 26.541 -3.859 521 HA ARG 66 HA ARG 66 4.296 29.448 -4.136 522 HB2 ARG 66 HB2 ARG 66 2.976 29.100 -1.893 523 HB3 ARG 66 HB1 ARG 66 2.207 28.546 -3.374 524 HG2 ARG 66 HG2 ARG 66 3.259 26.265 -2.909 525 HG3 ARG 66 HG1 ARG 66 3.660 26.880 -1.310 526 HD2 ARG 66 HD2 ARG 66 1.564 25.895 -0.928 527 HD3 ARG 66 HD1 ARG 66 1.110 27.566 -1.257 528 HE ARG 66 HE ARG 66 1.188 25.890 -3.652 529 HH11 ARG 66 HH21 ARG 66 -0.554 27.169 -0.992 530 HH12 ARG 66 HH22 ARG 66 -2.118 26.866 -1.675 531 HH21 ARG 66 HH11 ARG 66 -0.789 25.407 -4.573 532 HH22 ARG 66 HH12 ARG 66 -2.253 25.842 -3.755 533 H ILE 67 HN ILE 67 4.947 30.759 -2.250 534 HA ILE 67 HA ILE 67 7.444 29.597 -1.034 535 HB ILE 67 HB ILE 67 6.443 32.456 -1.357 536 HG12 ILE 67 HG12 ILE 67 8.509 30.796 -2.804 537 HG13 ILE 67 HG11 ILE 67 7.111 31.621 -3.480 538 HG21 ILE 67 HG21 ILE 67 7.918 32.066 0.672 539 HG22 ILE 67 HG22 ILE 67 8.666 33.122 -0.517 540 HG23 ILE 67 HG23 ILE 67 9.147 31.441 -0.408 541 HD11 ILE 67 HD11 ILE 67 9.670 32.828 -2.433 542 HD12 ILE 67 HD12 ILE 67 8.203 33.792 -2.572 543 HD13 ILE 67 HD13 ILE 67 8.917 33.060 -4.006 544 H THR 68 HN THR 68 7.656 29.356 1.163 545 HA THR 68 HA THR 68 6.067 30.825 2.988 546 HB THR 68 HB THR 68 4.218 29.350 2.579 547 HG1 THR 68 HG1 THR 68 4.209 28.549 4.533 548 HG21 THR 68 HG21 THR 68 5.041 27.651 1.091 549 HG22 THR 68 HG22 THR 68 4.868 26.746 2.592 550 HG23 THR 68 HG23 THR 68 6.453 27.334 2.096 551 H TYR 69 HN TYR 69 8.146 31.121 3.524 552 HA TYR 69 HA TYR 69 9.231 30.727 5.846 553 HB2 TYR 69 HB2 TYR 69 8.851 28.265 5.865 554 HB3 TYR 69 HB1 TYR 69 9.830 28.085 4.415 555 HD1 TYR 69 HD2 TYR 69 10.039 29.495 7.874 556 HD2 TYR 69 HD1 TYR 69 12.129 27.627 4.674 557 HE1 TYR 69 HE2 TYR 69 12.037 29.314 9.285 558 HE2 TYR 69 HE1 TYR 69 14.128 27.457 6.080 559 HH TYR 69 HH TYR 69 14.194 28.782 9.367 560 H ARG 70 HN ARG 70 9.958 32.533 4.533 561 HA ARG 70 HA ARG 70 12.152 32.070 2.708 562 HB2 ARG 70 HB2 ARG 70 10.938 33.979 2.063 563 HB3 ARG 70 HB1 ARG 70 10.607 34.448 3.726 564 HG2 ARG 70 HG2 ARG 70 12.866 35.250 4.028 565 HG3 ARG 70 HG1 ARG 70 13.379 34.553 2.496 566 HD2 ARG 70 HD2 ARG 70 12.936 37.047 2.401 567 HD3 ARG 70 HD1 ARG 70 11.988 36.109 1.249 568 HE ARG 70 HE ARG 70 10.609 36.529 3.791 569 HH11 ARG 70 HH21 ARG 70 9.542 36.355 0.910 570 HH12 ARG 70 HH22 ARG 70 8.944 37.965 0.685 571 HH21 ARG 70 HH11 ARG 70 10.672 39.212 3.468 572 HH22 ARG 70 HH12 ARG 70 9.600 39.625 2.171 573 H ALA 71 HN ALA 71 14.258 32.604 3.034 574 HA ALA 71 HA ALA 71 15.064 33.438 5.736 575 HB1 ALA 71 HB1 ALA 71 16.514 31.154 4.414 576 HB2 ALA 71 HB2 ALA 71 14.997 30.816 5.242 577 HB3 ALA 71 HB3 ALA 71 16.348 31.512 6.129 578 H ARG 72 HN ARG 72 17.151 34.312 5.851 579 HA ARG 72 HA ARG 72 18.136 35.290 3.212 580 HB2 ARG 72 HB2 ARG 72 19.476 36.841 4.907 581 HB3 ARG 72 HB1 ARG 72 17.764 37.147 4.639 582 HG2 ARG 72 HG2 ARG 72 17.142 36.032 6.661 583 HG3 ARG 72 HG1 ARG 72 18.739 35.313 6.841 584 HD2 ARG 72 HD2 ARG 72 18.338 37.307 8.346 585 HD3 ARG 72 HD1 ARG 72 19.734 37.486 7.285 586 HE ARG 72 HE ARG 72 18.585 39.219 6.154 587 HH11 ARG 72 HH11 ARG 72 16.125 37.824 5.443 588 HH12 ARG 72 HH12 ARG 72 14.912 38.621 6.387 589 HH21 ARG 72 HH21 ARG 72 17.261 40.054 8.561 590 HH22 ARG 72 HH22 ARG 72 15.572 39.919 8.201 Start of MODEL 8 1 HA MET 1 HA MET 1 0.117 12.163 10.714 2 HB2 MET 1 HB2 MET 1 -1.801 12.934 9.150 3 HB3 MET 1 HB1 MET 1 -2.163 12.985 10.871 4 HG2 MET 1 HG2 MET 1 -1.397 15.400 10.841 5 HG3 MET 1 HG1 MET 1 -1.340 15.293 9.104 6 HE1 MET 1 HE1 MET 1 -3.393 16.694 7.862 7 HE2 MET 1 HE2 MET 1 -4.651 15.462 7.753 8 HE3 MET 1 HE3 MET 1 -2.952 15.004 7.620 9 H SER 2 HN SER 2 2.429 13.539 10.230 10 HA SER 2 HA SER 2 3.872 14.303 8.530 11 HB2 SER 2 HB2 SER 2 3.917 12.730 6.648 12 HB3 SER 2 HB1 SER 2 3.366 11.793 8.051 13 HG SER 2 HG SER 2 1.302 13.109 6.980 14 H LYS 3 HN LYS 3 2.890 13.913 5.642 15 HA LYS 3 HA LYS 3 1.221 16.400 5.492 16 HB2 LYS 3 HB2 LYS 3 3.854 16.335 4.812 17 HB3 LYS 3 HB1 LYS 3 3.166 15.772 3.293 18 HG2 LYS 3 HG2 LYS 3 3.131 18.097 2.997 19 HG3 LYS 3 HG1 LYS 3 1.509 17.789 3.610 20 HD2 LYS 3 HD2 LYS 3 2.138 18.446 5.840 21 HD3 LYS 3 HD1 LYS 3 3.846 18.483 5.413 22 HE2 LYS 3 HE2 LYS 3 3.136 20.257 3.643 23 HE3 LYS 3 HE1 LYS 3 1.659 20.391 4.586 24 HZ1 LYS 3 HZ1 LYS 3 4.301 21.337 5.176 25 HZ2 LYS 3 HZ2 LYS 3 3.592 20.494 6.468 26 HZ3 LYS 3 HZ3 LYS 3 2.802 21.839 5.797 27 H GLU 4 HN GLU 4 0.209 16.658 3.293 28 HA GLU 4 HA GLU 4 -1.088 14.105 2.611 29 HB2 GLU 4 HB2 GLU 4 -2.587 15.538 1.245 30 HB3 GLU 4 HB1 GLU 4 -2.400 16.240 2.848 31 HG2 GLU 4 HG2 GLU 4 -0.512 17.660 1.876 32 HG3 GLU 4 HG1 GLU 4 -1.025 17.104 0.286 33 H ASP 5 HN ASP 5 -1.620 15.220 -0.143 34 HA ASP 5 HA ASP 5 0.553 13.782 -1.460 35 HB2 ASP 5 HB2 ASP 5 -1.991 13.964 -2.134 36 HB3 ASP 5 HB1 ASP 5 -1.527 15.498 -2.865 37 H SER 6 HN SER 6 0.591 16.718 -0.165 38 HA SER 6 HA SER 6 1.638 18.293 -2.389 39 HB2 SER 6 HB2 SER 6 0.515 19.153 -0.171 40 HB3 SER 6 HB1 SER 6 2.105 18.887 0.568 41 HG SER 6 HG SER 6 2.317 20.866 -0.282 42 H PHE 7 HN PHE 7 3.855 19.426 -1.929 43 HA PHE 7 HA PHE 7 5.835 17.441 -0.903 44 HB2 PHE 7 HB2 PHE 7 5.672 18.629 -3.703 45 HB3 PHE 7 HB1 PHE 7 7.207 18.062 -3.052 46 HD1 PHE 7 HD2 PHE 7 6.994 15.635 -1.849 47 HD2 PHE 7 HD1 PHE 7 4.413 17.075 -4.920 48 HE1 PHE 7 HE2 PHE 7 6.360 13.329 -2.410 49 HE2 PHE 7 HE1 PHE 7 3.787 14.766 -5.472 50 HZ PHE 7 HZ PHE 7 4.758 12.893 -4.218 51 H GLU 8 HN GLU 8 7.903 18.385 -0.418 52 HA GLU 8 HA GLU 8 7.819 21.380 -0.211 53 HB2 GLU 8 HB2 GLU 8 9.399 20.686 1.902 54 HB3 GLU 8 HB1 GLU 8 7.654 20.854 2.052 55 HG2 GLU 8 HG2 GLU 8 7.313 18.493 1.856 56 HG3 GLU 8 HG1 GLU 8 8.962 18.229 1.293 57 H MET 9 HN MET 9 9.667 22.482 -0.643 58 HA MET 9 HA MET 9 12.233 21.108 -0.914 59 HB2 MET 9 HB2 MET 9 10.669 20.826 -3.100 60 HB3 MET 9 HB1 MET 9 11.290 22.436 -3.451 61 HG2 MET 9 HG2 MET 9 12.935 21.150 -4.421 62 HG3 MET 9 HG1 MET 9 13.601 21.381 -2.827 63 HE1 MET 9 HE1 MET 9 12.953 19.135 -5.599 64 HE2 MET 9 HE2 MET 9 11.336 18.964 -4.918 65 HE3 MET 9 HE3 MET 9 12.429 17.582 -4.950 66 H GLU 10 HN GLU 10 13.758 22.520 -0.346 67 HA GLU 10 HA GLU 10 13.105 25.367 -0.119 68 HB2 GLU 10 HB2 GLU 10 15.705 23.812 0.344 69 HB3 GLU 10 HB1 GLU 10 15.476 25.507 0.759 70 HG2 GLU 10 HG2 GLU 10 14.929 24.538 2.790 71 HG3 GLU 10 HG1 GLU 10 13.343 24.524 2.035 72 H GLY 11 HN GLY 11 14.052 27.066 -1.293 73 HA2 GLY 11 HA2 GLY 11 16.032 26.452 -3.396 74 HA3 GLY 11 HA1 GLY 11 14.429 26.843 -4.021 75 H THR 12 HN THR 12 16.007 28.569 -4.945 76 HA THR 12 HA THR 12 15.998 30.910 -3.065 77 HB THR 12 HB THR 12 17.864 30.439 -5.479 78 HG1 THR 12 HG1 THR 12 18.841 30.394 -2.927 79 HG21 THR 12 HG21 THR 12 17.435 32.832 -4.413 80 HG22 THR 12 HG22 THR 12 19.103 32.306 -4.588 81 HG23 THR 12 HG23 THR 12 18.301 32.193 -3.024 82 H VAL 13 HN VAL 13 15.306 32.891 -3.904 83 HA VAL 13 HA VAL 13 13.666 32.572 -6.432 84 HB VAL 13 HB VAL 13 13.552 34.743 -4.297 85 HG11 VAL 13 HG11 VAL 13 11.346 35.219 -5.410 86 HG12 VAL 13 HG12 VAL 13 11.771 34.080 -6.681 87 HG13 VAL 13 HG13 VAL 13 12.733 35.537 -6.449 88 HG21 VAL 13 HG21 VAL 13 12.059 32.112 -4.803 89 HG22 VAL 13 HG22 VAL 13 11.285 33.421 -3.912 90 HG23 VAL 13 HG23 VAL 13 12.760 32.693 -3.292 91 H VAL 14 HN VAL 14 14.761 33.183 -8.248 92 HA VAL 14 HA VAL 14 15.650 35.984 -8.269 93 HB VAL 14 HB VAL 14 17.470 34.123 -9.685 94 HG11 VAL 14 HG11 VAL 14 19.034 35.751 -9.213 95 HG12 VAL 14 HG12 VAL 14 18.392 36.026 -7.595 96 HG13 VAL 14 HG13 VAL 14 17.582 36.723 -8.995 97 HG21 VAL 14 HG21 VAL 14 18.664 33.480 -7.574 98 HG22 VAL 14 HG22 VAL 14 17.096 32.703 -7.769 99 HG23 VAL 14 HG23 VAL 14 17.274 34.070 -6.684 100 H ASP 15 HN ASP 15 13.821 36.123 -9.381 101 HA ASP 15 HA ASP 15 13.995 36.383 -12.184 102 HB2 ASP 15 HB2 ASP 15 13.724 33.824 -12.032 103 HB3 ASP 15 HB1 ASP 15 12.170 34.118 -11.289 104 H THR 16 HN THR 16 12.356 37.769 -12.791 105 HA THR 16 HA THR 16 10.144 38.105 -10.782 106 HB THR 16 HB THR 16 10.242 40.581 -11.342 107 HG1 THR 16 HG1 THR 16 11.079 40.408 -13.391 108 HG21 THR 16 HG21 THR 16 13.030 39.450 -10.722 109 HG22 THR 16 HG22 THR 16 11.782 39.647 -9.497 110 HG23 THR 16 HG23 THR 16 12.451 41.060 -10.305 111 H LEU 17 HN LEU 17 8.385 37.417 -11.622 112 HA LEU 17 HA LEU 17 7.876 37.780 -14.501 113 HB2 LEU 17 HB2 LEU 17 6.627 36.069 -12.330 114 HB3 LEU 17 HB1 LEU 17 5.959 36.162 -13.948 115 HG LEU 17 HG LEU 17 8.740 35.211 -13.189 116 HD11 LEU 17 HD21 LEU 17 6.656 33.728 -12.957 117 HD12 LEU 17 HD22 LEU 17 7.993 33.091 -13.906 118 HD13 LEU 17 HD23 LEU 17 6.584 33.769 -14.714 119 HD21 LEU 17 HD11 LEU 17 9.201 36.194 -15.246 120 HD22 LEU 17 HD12 LEU 17 7.537 36.049 -15.804 121 HD23 LEU 17 HD13 LEU 17 8.589 34.638 -15.798 122 HA PRO 18 HA PRO 18 4.662 40.659 -13.407 123 HB2 PRO 18 HB2 PRO 18 2.973 40.375 -15.620 124 HB3 PRO 18 HB1 PRO 18 4.504 41.252 -15.665 125 HG2 PRO 18 HG2 PRO 18 3.838 38.672 -16.924 126 HG3 PRO 18 HG1 PRO 18 5.277 39.666 -17.162 127 HD2 PRO 18 HD1 PRO 18 4.986 37.263 -15.521 128 HD3 PRO 18 HD2 PRO 18 6.454 38.166 -15.905 129 H ASN 19 HN ASN 19 2.402 40.965 -12.933 130 HA ASN 19 HA ASN 19 0.228 40.293 -12.337 131 HB2 ASN 19 HB2 ASN 19 0.781 38.418 -14.248 132 HB3 ASN 19 HB1 ASN 19 0.785 37.374 -12.828 133 HD21 ASN 19 HD21 ASN 19 -1.216 39.556 -11.677 134 HD22 ASN 19 HD22 ASN 19 -2.705 39.054 -12.319 135 H THR 20 HN THR 20 2.939 39.999 -10.961 136 HA THR 20 HA THR 20 3.508 39.724 -8.711 137 HB THR 20 HB THR 20 0.977 38.158 -8.087 138 HG1 THR 20 HG1 THR 20 0.464 40.738 -8.054 139 HG21 THR 20 HG21 THR 20 1.247 39.235 -6.010 140 HG22 THR 20 HG22 THR 20 1.727 40.749 -6.768 141 HG23 THR 20 HG23 THR 20 2.908 39.461 -6.551 142 H MET 21 HN MET 21 4.850 38.131 -10.221 143 HA MET 21 HA MET 21 4.786 35.559 -8.717 144 HB2 MET 21 HB2 MET 21 5.282 34.667 -11.319 145 HB3 MET 21 HB1 MET 21 3.749 34.504 -10.477 146 HG2 MET 21 HG2 MET 21 3.057 36.709 -11.361 147 HG3 MET 21 HG1 MET 21 4.563 36.823 -12.231 148 HE1 MET 21 HE1 MET 21 1.717 34.814 -11.378 149 HE2 MET 21 HE2 MET 21 1.698 33.504 -12.559 150 HE3 MET 21 HE3 MET 21 0.726 34.951 -12.830 151 H PHE 22 HN PHE 22 6.709 34.283 -9.021 152 HA PHE 22 HA PHE 22 9.017 35.608 -10.294 153 HB2 PHE 22 HB2 PHE 22 9.205 34.792 -7.360 154 HB3 PHE 22 HB1 PHE 22 10.236 35.907 -8.250 155 HD1 PHE 22 HD1 PHE 22 6.915 35.494 -6.673 156 HD2 PHE 22 HD2 PHE 22 9.590 38.231 -8.546 157 HE1 PHE 22 HE1 PHE 22 5.514 37.373 -5.943 158 HE2 PHE 22 HE2 PHE 22 8.180 40.102 -7.815 159 HZ PHE 22 HZ PHE 22 6.146 39.674 -6.511 160 H ARG 23 HN ARG 23 10.882 34.118 -10.364 161 HA ARG 23 HA ARG 23 9.924 31.277 -10.255 162 HB2 ARG 23 HB2 ARG 23 11.096 32.408 -12.373 163 HB3 ARG 23 HB1 ARG 23 12.571 32.078 -11.472 164 HG2 ARG 23 HG2 ARG 23 12.015 29.711 -11.308 165 HG3 ARG 23 HG1 ARG 23 10.495 29.985 -12.130 166 HD2 ARG 23 HD2 ARG 23 13.285 30.218 -13.257 167 HD3 ARG 23 HD1 ARG 23 11.955 29.223 -13.845 168 HE ARG 23 HE ARG 23 11.080 31.899 -14.009 169 HH11 ARG 23 HH21 ARG 23 11.322 29.888 -16.260 170 HH12 ARG 23 HH22 ARG 23 12.433 30.684 -17.325 171 HH21 ARG 23 HH11 ARG 23 13.460 32.968 -14.872 172 HH22 ARG 23 HH12 ARG 23 13.671 32.476 -16.520 173 H VAL 24 HN VAL 24 10.859 29.767 -9.028 174 HA VAL 24 HA VAL 24 13.026 30.750 -7.261 175 HB VAL 24 HB VAL 24 10.871 30.178 -6.096 176 HG11 VAL 24 HG21 VAL 24 9.909 28.049 -6.210 177 HG12 VAL 24 HG22 VAL 24 11.353 27.338 -6.914 178 HG13 VAL 24 HG23 VAL 24 10.342 28.406 -7.876 179 HG21 VAL 24 HG11 VAL 24 11.838 28.630 -4.442 180 HG22 VAL 24 HG12 VAL 24 13.041 29.811 -4.945 181 HG23 VAL 24 HG13 VAL 24 13.092 28.173 -5.587 182 H GLU 25 HN GLU 25 14.894 29.838 -7.595 183 HA GLU 25 HA GLU 25 14.913 27.555 -9.467 184 HB2 GLU 25 HB2 GLU 25 17.290 28.071 -9.703 185 HB3 GLU 25 HB1 GLU 25 16.405 29.592 -9.755 186 HG2 GLU 25 HG2 GLU 25 16.856 29.874 -7.312 187 HG3 GLU 25 HG1 GLU 25 17.863 28.433 -7.368 188 H LEU 26 HN LEU 26 15.642 25.767 -9.129 189 HA LEU 26 HA LEU 26 16.664 24.881 -6.514 190 HB2 LEU 26 HB2 LEU 26 14.616 23.502 -8.356 191 HB3 LEU 26 HB1 LEU 26 15.320 22.758 -6.937 192 HG LEU 26 HG LEU 26 13.844 25.398 -6.841 193 HD11 LEU 26 HD21 LEU 26 12.582 22.836 -5.936 194 HD12 LEU 26 HD22 LEU 26 12.559 23.204 -7.658 195 HD13 LEU 26 HD23 LEU 26 11.818 24.312 -6.511 196 HD21 LEU 26 HD11 LEU 26 15.216 25.008 -4.895 197 HD22 LEU 26 HD12 LEU 26 14.715 23.325 -4.800 198 HD23 LEU 26 HD13 LEU 26 13.571 24.609 -4.421 199 H GLU 27 HN GLU 27 17.889 25.971 -8.710 200 HA GLU 27 HA GLU 27 18.773 24.615 -10.886 201 HB2 GLU 27 HB2 GLU 27 20.790 25.901 -10.750 202 HB3 GLU 27 HB1 GLU 27 19.607 26.859 -9.868 203 HG2 GLU 27 HG2 GLU 27 20.416 25.634 -7.759 204 HG3 GLU 27 HG1 GLU 27 21.770 25.071 -8.737 205 H ASN 28 HN ASN 28 18.891 23.331 -7.860 206 HA ASN 28 HA ASN 28 21.344 21.863 -8.136 207 HB2 ASN 28 HB2 ASN 28 20.253 20.375 -6.364 208 HB3 ASN 28 HB1 ASN 28 20.189 22.076 -5.908 209 HD21 ASN 28 HD21 ASN 28 18.154 22.879 -5.409 210 HD22 ASN 28 HD22 ASN 28 16.687 22.131 -5.810 211 H GLY 29 HN GLY 29 19.419 22.160 -10.354 212 HA2 GLY 29 HA2 GLY 29 19.452 20.531 -12.199 213 HA3 GLY 29 HA1 GLY 29 18.903 19.335 -11.033 214 H HIS 30 HN HIS 30 17.046 21.721 -9.907 215 HA HIS 30 HA HIS 30 14.968 21.455 -12.078 216 HB2 HIS 30 HB2 HIS 30 14.680 20.004 -9.919 217 HB3 HIS 30 HB1 HIS 30 14.261 21.519 -9.130 218 HD1 HIS 30 HD1 HIS 30 13.237 21.267 -12.556 219 HD2 HIS 30 HD2 HIS 30 11.560 20.459 -8.954 220 HE1 HIS 30 HE1 HIS 30 10.872 21.019 -13.021 221 H VAL 31 HN VAL 31 13.339 23.067 -12.192 222 HA VAL 31 HA VAL 31 13.959 25.693 -10.819 223 HB VAL 31 HB VAL 31 14.600 25.307 -13.424 224 HG11 VAL 31 HG21 VAL 31 11.690 26.141 -13.620 225 HG12 VAL 31 HG22 VAL 31 12.242 24.495 -13.917 226 HG13 VAL 31 HG23 VAL 31 12.796 25.808 -14.950 227 HG21 VAL 31 HG11 VAL 31 13.070 27.729 -12.416 228 HG22 VAL 31 HG12 VAL 31 14.143 27.713 -13.811 229 HG23 VAL 31 HG13 VAL 31 14.793 27.441 -12.197 230 H VAL 32 HN VAL 32 11.979 26.951 -10.309 231 HA VAL 32 HA VAL 32 9.419 25.758 -11.215 232 HB VAL 32 HB VAL 32 9.859 26.234 -8.322 233 HG11 VAL 32 HG21 VAL 32 7.887 24.769 -10.004 234 HG12 VAL 32 HG22 VAL 32 7.587 26.062 -8.851 235 HG13 VAL 32 HG23 VAL 32 8.026 24.461 -8.284 236 HG21 VAL 32 HG11 VAL 32 10.314 23.831 -8.031 237 HG22 VAL 32 HG12 VAL 32 11.551 24.569 -9.039 238 HG23 VAL 32 HG13 VAL 32 10.262 23.623 -9.776 239 H THR 33 HN THR 33 7.596 26.971 -10.278 240 HA THR 33 HA THR 33 8.251 29.876 -10.252 241 HB THR 33 HB THR 33 5.943 28.306 -11.430 242 HG1 THR 33 HG1 THR 33 7.030 28.926 -13.114 243 HG21 THR 33 HG21 THR 33 4.992 30.280 -10.122 244 HG22 THR 33 HG22 THR 33 4.853 30.526 -11.860 245 HG23 THR 33 HG23 THR 33 6.132 31.332 -10.958 246 H ALA 34 HN ALA 34 7.198 31.181 -8.748 247 HA ALA 34 HA ALA 34 5.270 29.876 -6.986 248 HB1 ALA 34 HB1 ALA 34 6.601 29.728 -5.085 249 HB2 ALA 34 HB2 ALA 34 7.590 31.107 -5.553 250 HB3 ALA 34 HB3 ALA 34 7.865 29.534 -6.296 251 H HIS 35 HN HIS 35 4.746 31.395 -5.097 252 HA HIS 35 HA HIS 35 4.922 34.245 -5.968 253 HB2 HIS 35 HB2 HIS 35 2.329 34.058 -5.009 254 HB3 HIS 35 HB1 HIS 35 2.738 33.976 -6.719 255 HD1 HIS 35 HD1 HIS 35 1.165 32.056 -4.235 256 HD2 HIS 35 HD2 HIS 35 3.278 31.155 -7.576 257 HE1 HIS 35 HE1 HIS 35 0.580 29.759 -4.732 258 H ILE 36 HN ILE 36 4.907 35.685 -4.254 259 HA ILE 36 HA ILE 36 5.418 34.457 -1.628 260 HB ILE 36 HB ILE 36 6.811 36.366 -2.459 261 HG12 ILE 36 HG12 ILE 36 5.057 37.115 -0.093 262 HG13 ILE 36 HG11 ILE 36 6.506 36.117 -0.025 263 HG21 ILE 36 HG21 ILE 36 5.864 38.447 -3.063 264 HG22 ILE 36 HG22 ILE 36 4.452 38.220 -2.033 265 HG23 ILE 36 HG23 ILE 36 4.572 37.362 -3.566 266 HD11 ILE 36 HD11 ILE 36 7.414 38.204 0.493 267 HD12 ILE 36 HD12 ILE 36 6.259 39.071 -0.516 268 HD13 ILE 36 HD13 ILE 36 7.601 38.206 -1.259 269 H SER 37 HN SER 37 4.316 35.190 0.306 270 HA SER 37 HA SER 37 1.450 35.201 -0.065 271 HB2 SER 37 HB2 SER 37 3.329 35.300 2.319 272 HB3 SER 37 HB1 SER 37 1.595 35.596 2.553 273 HG SER 37 HG SER 37 1.139 33.616 1.877 274 H GLY 38 HN GLY 38 0.317 36.793 1.660 275 HA2 GLY 38 HA2 GLY 38 0.408 39.387 0.410 276 HA3 GLY 38 HA1 GLY 38 -0.540 38.972 1.832 277 H LYS 39 HN LYS 39 2.454 38.040 2.654 278 HA LYS 39 HA LYS 39 2.923 39.890 4.656 279 HB2 LYS 39 HB2 LYS 39 4.798 38.276 2.899 280 HB3 LYS 39 HB1 LYS 39 5.468 39.378 4.096 281 HG2 LYS 39 HG2 LYS 39 4.264 38.248 5.887 282 HG3 LYS 39 HG1 LYS 39 3.420 37.228 4.726 283 HD2 LYS 39 HD2 LYS 39 5.262 35.939 5.637 284 HD3 LYS 39 HD1 LYS 39 5.672 36.356 3.977 285 HE2 LYS 39 HE2 LYS 39 6.499 38.197 6.207 286 HE3 LYS 39 HE1 LYS 39 7.443 36.745 5.893 287 HZ1 LYS 39 HZ1 LYS 39 7.203 37.679 3.434 288 HZ2 LYS 39 HZ2 LYS 39 8.476 38.118 4.468 289 HZ3 LYS 39 HZ3 LYS 39 7.137 39.146 4.286 290 H MET 40 HN MET 40 3.454 40.323 1.241 291 HA MET 40 HA MET 40 5.023 42.766 1.642 292 HB2 MET 40 HB2 MET 40 5.630 41.669 -0.365 293 HB3 MET 40 HB1 MET 40 3.976 41.178 -0.715 294 HG2 MET 40 HG2 MET 40 3.382 43.257 -1.535 295 HG3 MET 40 HG1 MET 40 4.628 44.084 -0.641 296 HE1 MET 40 HE1 MET 40 5.113 41.830 -4.590 297 HE2 MET 40 HE2 MET 40 3.574 42.320 -3.881 298 HE3 MET 40 HE3 MET 40 4.565 41.100 -3.082 299 H ARG 41 HN ARG 41 1.718 41.868 0.826 300 HA ARG 41 HA ARG 41 0.822 44.478 0.113 301 HB2 ARG 41 HB2 ARG 41 -0.713 42.809 -0.502 302 HB3 ARG 41 HB1 ARG 41 -0.427 41.864 0.951 303 HG2 ARG 41 HG2 ARG 41 -1.881 43.156 2.242 304 HG3 ARG 41 HG1 ARG 41 -1.742 44.553 1.184 305 HD2 ARG 41 HD2 ARG 41 -2.873 43.031 -0.613 306 HD3 ARG 41 HD1 ARG 41 -3.341 42.024 0.756 307 HE ARG 41 HE ARG 41 -4.169 44.516 1.552 308 HH11 ARG 41 HH21 ARG 41 -5.686 42.090 0.197 309 HH12 ARG 41 HH22 ARG 41 -6.698 42.968 -0.901 310 HH21 ARG 41 HH11 ARG 41 -4.902 45.950 -0.489 311 HH22 ARG 41 HH12 ARG 41 -6.245 45.211 -1.297 312 H LYS 42 HN LYS 42 1.179 42.806 3.166 313 HA LYS 42 HA LYS 42 -0.205 44.885 4.657 314 HB2 LYS 42 HB2 LYS 42 1.462 42.460 5.448 315 HB3 LYS 42 HB1 LYS 42 0.745 43.543 6.638 316 HG2 LYS 42 HG2 LYS 42 -0.982 42.402 4.456 317 HG3 LYS 42 HG1 LYS 42 -0.582 41.402 5.849 318 HD2 LYS 42 HD2 LYS 42 -1.743 42.765 7.331 319 HD3 LYS 42 HD1 LYS 42 -1.524 44.204 6.341 320 HE2 LYS 42 HE2 LYS 42 -3.874 43.396 6.289 321 HE3 LYS 42 HE1 LYS 42 -3.133 43.345 4.695 322 HZ1 LYS 42 HZ1 LYS 42 -2.662 40.928 6.085 323 HZ2 LYS 42 HZ2 LYS 42 -3.443 41.178 4.597 324 HZ3 LYS 42 HZ3 LYS 42 -4.326 41.265 6.043 325 H ASN 43 HN ASN 43 3.146 43.751 4.406 326 HA ASN 43 HA ASN 43 4.179 45.925 6.003 327 HB2 ASN 43 HB2 ASN 43 5.506 43.990 4.047 328 HB3 ASN 43 HB1 ASN 43 6.407 45.115 5.060 329 HD21 ASN 43 HD21 ASN 43 4.616 44.860 7.385 330 HD22 ASN 43 HD22 ASN 43 4.883 43.316 8.038 331 H TYR 44 HN TYR 44 3.214 45.606 2.783 332 HA TYR 44 HA TYR 44 3.438 46.994 0.948 333 HB2 TYR 44 HB2 TYR 44 2.340 48.413 2.933 334 HB3 TYR 44 HB1 TYR 44 3.854 49.309 2.829 335 HD1 TYR 44 HD1 TYR 44 0.919 48.189 0.826 336 HD2 TYR 44 HD2 TYR 44 4.226 50.856 1.051 337 HE1 TYR 44 HE1 TYR 44 0.051 49.430 -1.105 338 HE2 TYR 44 HE2 TYR 44 3.360 52.094 -0.877 339 HH TYR 44 HH TYR 44 1.574 52.420 -2.199 340 H ILE 45 HN ILE 45 5.923 46.185 2.593 341 HA ILE 45 HA ILE 45 7.800 47.536 0.814 342 HB ILE 45 HB ILE 45 7.991 47.786 3.856 343 HG12 ILE 45 HG12 ILE 45 7.461 49.839 1.684 344 HG13 ILE 45 HG11 ILE 45 6.373 49.368 2.986 345 HG21 ILE 45 HG21 ILE 45 9.767 49.307 1.952 346 HG22 ILE 45 HG22 ILE 45 10.126 47.600 2.172 347 HG23 ILE 45 HG23 ILE 45 10.142 48.685 3.556 348 HD11 ILE 45 HD11 ILE 45 7.308 51.295 3.901 349 HD12 ILE 45 HD12 ILE 45 8.859 51.045 3.105 350 HD13 ILE 45 HD13 ILE 45 8.425 50.084 4.516 351 H ARG 46 HN ARG 46 7.883 45.208 0.199 352 HA ARG 46 HA ARG 46 10.081 43.912 1.668 353 HB2 ARG 46 HB2 ARG 46 7.952 43.140 2.811 354 HB3 ARG 46 HB1 ARG 46 7.410 42.477 1.273 355 HG2 ARG 46 HG2 ARG 46 8.419 40.621 2.341 356 HG3 ARG 46 HG1 ARG 46 9.681 41.205 1.262 357 HD2 ARG 46 HD2 ARG 46 10.801 42.357 3.069 358 HD3 ARG 46 HD1 ARG 46 9.446 42.077 4.161 359 HE ARG 46 HE ARG 46 10.594 40.087 4.686 360 HH11 ARG 46 HH21 ARG 46 9.393 39.036 2.087 361 HH12 ARG 46 HH22 ARG 46 10.788 38.352 1.320 362 HH21 ARG 46 HH11 ARG 46 13.025 40.015 3.443 363 HH22 ARG 46 HH12 ARG 46 12.897 38.916 2.111 364 H ILE 47 HN ILE 47 11.078 44.350 -0.403 365 HA ILE 47 HA ILE 47 10.469 42.206 -2.364 366 HB ILE 47 HB ILE 47 9.544 44.420 -3.082 367 HG12 ILE 47 HG12 ILE 47 10.835 44.529 -5.296 368 HG13 ILE 47 HG11 ILE 47 11.866 43.262 -4.641 369 HG21 ILE 47 HG21 ILE 47 10.849 46.349 -3.180 370 HG22 ILE 47 HG22 ILE 47 12.317 45.462 -3.573 371 HG23 ILE 47 HG23 ILE 47 11.741 45.520 -1.909 372 HD11 ILE 47 HD11 ILE 47 8.846 43.010 -4.732 373 HD12 ILE 47 HD12 ILE 47 10.023 41.734 -4.448 374 HD13 ILE 47 HD13 ILE 47 9.881 42.456 -6.044 375 H LEU 48 HN LEU 48 12.188 40.916 -2.139 376 HA LEU 48 HA LEU 48 14.876 42.105 -2.632 377 HB2 LEU 48 HB2 LEU 48 13.896 40.751 -0.185 378 HB3 LEU 48 HB1 LEU 48 15.352 40.006 -0.831 379 HG LEU 48 HG LEU 48 15.301 42.991 -0.681 380 HD11 LEU 48 HD11 LEU 48 14.548 42.745 1.501 381 HD12 LEU 48 HD12 LEU 48 16.276 42.515 1.747 382 HD13 LEU 48 HD13 LEU 48 15.208 41.119 1.654 383 HD21 LEU 48 HD21 LEU 48 17.633 42.723 -0.478 384 HD22 LEU 48 HD22 LEU 48 17.191 41.373 -1.519 385 HD23 LEU 48 HD23 LEU 48 17.484 41.104 0.198 386 H THR 49 HN THR 49 15.766 41.088 -4.295 387 HA THR 49 HA THR 49 14.649 38.545 -5.255 388 HB THR 49 HB THR 49 17.143 40.113 -6.184 389 HG1 THR 49 HG1 THR 49 14.407 40.052 -6.962 390 HG21 THR 49 HG21 THR 49 15.283 38.129 -7.612 391 HG22 THR 49 HG22 THR 49 16.900 37.710 -7.054 392 HG23 THR 49 HG23 THR 49 16.690 38.913 -8.326 393 H GLY 50 HN GLY 50 15.455 36.710 -5.246 394 HA2 GLY 50 HA2 GLY 50 16.784 34.870 -4.741 395 HA3 GLY 50 HA1 GLY 50 18.093 35.965 -4.348 396 H ASP 51 HN ASP 51 15.077 34.695 -3.289 397 HA ASP 51 HA ASP 51 15.842 35.225 -0.470 398 HB2 ASP 51 HB2 ASP 51 13.209 34.901 -1.957 399 HB3 ASP 51 HB1 ASP 51 13.275 34.542 -0.233 400 H LYS 52 HN LYS 52 16.646 33.388 0.552 401 HA LYS 52 HA LYS 52 16.202 30.885 -0.905 402 HB2 LYS 52 HB2 LYS 52 18.099 31.746 0.994 403 HB3 LYS 52 HB1 LYS 52 17.055 30.733 1.982 404 HG2 LYS 52 HG2 LYS 52 17.406 28.827 0.547 405 HG3 LYS 52 HG1 LYS 52 18.193 29.819 -0.677 406 HD2 LYS 52 HD2 LYS 52 20.112 30.176 0.697 407 HD3 LYS 52 HD1 LYS 52 19.286 29.590 2.136 408 HE2 LYS 52 HE2 LYS 52 19.309 27.332 1.353 409 HE3 LYS 52 HE1 LYS 52 19.744 27.826 -0.278 410 HZ1 LYS 52 HZ1 LYS 52 21.625 26.921 0.956 411 HZ2 LYS 52 HZ2 LYS 52 21.468 28.155 2.111 412 HZ3 LYS 52 HZ3 LYS 52 21.884 28.540 0.510 413 H VAL 53 HN VAL 53 14.171 30.041 -0.814 414 HA VAL 53 HA VAL 53 12.765 30.198 1.841 415 HB VAL 53 HB VAL 53 10.658 30.602 0.598 416 HG11 VAL 53 HG21 VAL 53 12.944 32.415 0.676 417 HG12 VAL 53 HG22 VAL 53 11.258 32.746 1.024 418 HG13 VAL 53 HG23 VAL 53 11.848 32.818 -0.631 419 HG21 VAL 53 HG11 VAL 53 10.928 29.597 -1.497 420 HG22 VAL 53 HG12 VAL 53 12.556 30.230 -1.701 421 HG23 VAL 53 HG13 VAL 53 11.169 31.286 -1.921 422 H ARG 54 HN ARG 54 10.587 29.000 1.723 423 HA ARG 54 HA ARG 54 11.364 26.213 0.876 424 HB2 ARG 54 HB2 ARG 54 9.820 27.416 3.107 425 HB3 ARG 54 HB1 ARG 54 9.019 26.030 2.376 426 HG2 ARG 54 HG2 ARG 54 10.455 25.148 4.092 427 HG3 ARG 54 HG1 ARG 54 11.246 24.801 2.560 428 HD2 ARG 54 HD2 ARG 54 12.531 26.991 2.874 429 HD3 ARG 54 HD1 ARG 54 11.899 27.024 4.519 430 HE ARG 54 HE ARG 54 13.127 24.475 3.956 431 HH11 ARG 54 HH21 ARG 54 14.856 26.984 3.125 432 HH12 ARG 54 HH22 ARG 54 15.905 27.073 4.500 433 HH21 ARG 54 HH11 ARG 54 13.943 24.868 6.391 434 HH22 ARG 54 HH12 ARG 54 15.375 25.841 6.397 435 H VAL 55 HN VAL 55 10.445 25.424 -0.883 436 HA VAL 55 HA VAL 55 8.046 26.787 -1.945 437 HB VAL 55 HB VAL 55 9.758 24.720 -3.365 438 HG11 VAL 55 HG11 VAL 55 7.483 25.571 -4.242 439 HG12 VAL 55 HG12 VAL 55 8.850 25.661 -5.348 440 HG13 VAL 55 HG13 VAL 55 8.301 27.106 -4.508 441 HG21 VAL 55 HG21 VAL 55 10.199 27.723 -3.325 442 HG22 VAL 55 HG22 VAL 55 11.158 26.534 -4.203 443 HG23 VAL 55 HG23 VAL 55 11.192 26.566 -2.442 444 H GLU 56 HN GLU 56 6.137 25.830 -2.104 445 HA GLU 56 HA GLU 56 5.956 22.938 -1.378 446 HB2 GLU 56 HB2 GLU 56 3.844 25.154 -1.263 447 HB3 GLU 56 HB1 GLU 56 3.607 23.496 -0.732 448 HG2 GLU 56 HG2 GLU 56 5.594 23.889 0.854 449 HG3 GLU 56 HG1 GLU 56 5.408 25.602 0.483 450 H LEU 57 HN LEU 57 5.725 21.755 -3.124 451 HA LEU 57 HA LEU 57 4.543 22.980 -5.527 452 HB2 LEU 57 HB2 LEU 57 5.590 20.140 -5.295 453 HB3 LEU 57 HB1 LEU 57 5.555 21.174 -6.713 454 HG LEU 57 HG LEU 57 7.202 21.852 -4.271 455 HD11 LEU 57 HD11 LEU 57 8.053 20.388 -6.784 456 HD12 LEU 57 HD12 LEU 57 7.956 19.682 -5.175 457 HD13 LEU 57 HD13 LEU 57 9.134 20.944 -5.513 458 HD21 LEU 57 HD21 LEU 57 6.663 23.687 -5.833 459 HD22 LEU 57 HD22 LEU 57 7.306 22.733 -7.164 460 HD23 LEU 57 HD23 LEU 57 8.377 23.293 -5.887 461 H THR 58 HN THR 58 2.802 22.118 -6.620 462 HA THR 58 HA THR 58 1.036 20.428 -4.896 463 HB THR 58 HB THR 58 -0.839 21.611 -5.950 464 HG1 THR 58 HG1 THR 58 0.404 21.426 -8.017 465 HG21 THR 58 HG21 THR 58 -0.154 24.029 -5.676 466 HG22 THR 58 HG22 THR 58 1.543 23.563 -5.708 467 HG23 THR 58 HG23 THR 58 0.522 23.086 -4.353 468 HA PRO 59 HA PRO 59 1.150 17.170 -7.834 469 HB2 PRO 59 HB2 PRO 59 -1.609 16.417 -7.556 470 HB3 PRO 59 HB1 PRO 59 -0.235 15.717 -6.698 471 HG2 PRO 59 HG2 PRO 59 -2.288 17.554 -5.670 472 HG3 PRO 59 HG1 PRO 59 -1.072 16.645 -4.766 473 HD2 PRO 59 HD1 PRO 59 -1.054 19.446 -5.282 474 HD3 PRO 59 HD2 PRO 59 0.266 18.483 -4.592 475 H TYR 60 HN TYR 60 -1.196 19.702 -8.030 476 HA TYR 60 HA TYR 60 -2.351 18.915 -10.568 477 HB2 TYR 60 HB2 TYR 60 -3.145 20.684 -8.726 478 HB3 TYR 60 HB1 TYR 60 -2.164 21.801 -9.671 479 HD1 TYR 60 HD2 TYR 60 -4.553 19.002 -10.437 480 HD2 TYR 60 HD1 TYR 60 -3.381 23.011 -11.245 481 HE1 TYR 60 HE2 TYR 60 -6.355 19.200 -12.091 482 HE2 TYR 60 HE1 TYR 60 -5.181 23.207 -12.896 483 HH TYR 60 HH TYR 60 -6.503 21.480 -14.393 484 H ASP 61 HN ASP 61 0.538 20.570 -9.617 485 HA ASP 61 HA ASP 61 1.670 20.393 -12.230 486 HB2 ASP 61 HB2 ASP 61 1.742 23.065 -12.419 487 HB3 ASP 61 HB1 ASP 61 0.353 22.178 -13.035 488 H LEU 62 HN LEU 62 3.115 19.551 -10.524 489 HA LEU 62 HA LEU 62 4.387 20.892 -8.513 490 HB2 LEU 62 HB2 LEU 62 5.853 19.276 -10.649 491 HB3 LEU 62 HB1 LEU 62 6.360 19.503 -8.978 492 HG LEU 62 HG LEU 62 4.016 18.493 -8.385 493 HD11 LEU 62 HD11 LEU 62 4.002 18.332 -11.260 494 HD12 LEU 62 HD12 LEU 62 2.746 17.833 -10.133 495 HD13 LEU 62 HD13 LEU 62 4.008 16.701 -10.604 496 HD21 LEU 62 HD21 LEU 62 6.339 17.452 -8.103 497 HD22 LEU 62 HD22 LEU 62 6.057 16.633 -9.635 498 HD23 LEU 62 HD23 LEU 62 5.007 16.310 -8.258 499 H SER 63 HN SER 63 4.948 21.416 -11.969 500 HA SER 63 HA SER 63 7.289 23.023 -11.785 501 HB2 SER 63 HB2 SER 63 6.048 22.255 -13.938 502 HB3 SER 63 HB1 SER 63 4.919 23.596 -13.659 503 HG SER 63 HG SER 63 6.737 24.987 -13.560 504 H LYS 64 HN LYS 64 4.365 23.470 -10.325 505 HA LYS 64 HA LYS 64 4.977 26.358 -9.893 506 HB2 LYS 64 HB2 LYS 64 2.123 25.287 -10.049 507 HB3 LYS 64 HB1 LYS 64 2.671 26.955 -10.190 508 HG2 LYS 64 HG2 LYS 64 3.717 26.481 -12.344 509 HG3 LYS 64 HG1 LYS 64 3.333 24.770 -12.191 510 HD2 LYS 64 HD2 LYS 64 1.021 25.137 -12.476 511 HD3 LYS 64 HD1 LYS 64 1.147 26.843 -12.066 512 HE2 LYS 64 HE2 LYS 64 2.094 25.480 -14.604 513 HE3 LYS 64 HE1 LYS 64 0.868 26.734 -14.457 514 HZ1 LYS 64 HZ1 LYS 64 3.789 26.961 -14.222 515 HZ2 LYS 64 HZ2 LYS 64 2.787 28.098 -13.459 516 HZ3 LYS 64 HZ3 LYS 64 2.711 27.893 -15.143 517 H GLY 65 HN GLY 65 4.565 27.103 -7.881 518 HA2 GLY 65 HA2 GLY 65 3.183 25.553 -5.853 519 HA3 GLY 65 HA1 GLY 65 4.937 25.478 -5.669 520 H ARG 66 HN ARG 66 4.197 26.631 -3.604 521 HA ARG 66 HA ARG 66 4.257 29.592 -4.178 522 HB2 ARG 66 HB2 ARG 66 2.861 29.851 -2.085 523 HB3 ARG 66 HB1 ARG 66 2.022 28.934 -3.325 524 HG2 ARG 66 HG2 ARG 66 2.840 26.827 -2.237 525 HG3 ARG 66 HG1 ARG 66 3.484 27.809 -0.927 526 HD2 ARG 66 HD2 ARG 66 1.429 27.613 0.019 527 HD3 ARG 66 HD1 ARG 66 0.879 28.746 -1.213 528 HE ARG 66 HE ARG 66 -0.263 26.953 -2.219 529 HH11 ARG 66 HH11 ARG 66 0.787 25.728 0.572 530 HH12 ARG 66 HH12 ARG 66 1.134 24.121 0.025 531 HH21 ARG 66 HH21 ARG 66 0.833 24.991 -3.357 532 HH22 ARG 66 HH22 ARG 66 1.156 23.692 -2.258 533 H ILE 67 HN ILE 67 5.108 30.857 -2.292 534 HA ILE 67 HA ILE 67 7.397 29.355 -1.085 535 HB ILE 67 HB ILE 67 6.839 32.276 -1.686 536 HG12 ILE 67 HG12 ILE 67 9.200 30.559 -2.461 537 HG13 ILE 67 HG11 ILE 67 7.732 30.617 -3.419 538 HG21 ILE 67 HG21 ILE 67 8.158 32.780 0.137 539 HG22 ILE 67 HG22 ILE 67 9.491 32.041 -0.736 540 HG23 ILE 67 HG23 ILE 67 8.554 31.088 0.399 541 HD11 ILE 67 HD11 ILE 67 9.481 33.000 -2.698 542 HD12 ILE 67 HD12 ILE 67 7.968 33.100 -3.592 543 HD13 ILE 67 HD13 ILE 67 9.350 32.257 -4.288 544 H THR 68 HN THR 68 7.784 29.431 1.171 545 HA THR 68 HA THR 68 6.142 31.037 2.815 546 HB THR 68 HB THR 68 4.343 29.486 2.554 547 HG1 THR 68 HG1 THR 68 4.788 29.536 4.702 548 HG21 THR 68 HG21 THR 68 6.624 27.516 2.197 549 HG22 THR 68 HG22 THR 68 5.133 27.638 1.271 550 HG23 THR 68 HG23 THR 68 5.117 26.903 2.870 551 H TYR 69 HN TYR 69 8.156 31.474 3.373 552 HA TYR 69 HA TYR 69 9.236 31.526 5.660 553 HB2 TYR 69 HB2 TYR 69 8.588 29.077 6.083 554 HB3 TYR 69 HB1 TYR 69 9.920 28.609 5.019 555 HD1 TYR 69 HD1 TYR 69 12.278 29.236 5.697 556 HD2 TYR 69 HD2 TYR 69 8.969 29.916 8.285 557 HE1 TYR 69 HE1 TYR 69 13.814 29.532 7.588 558 HE2 TYR 69 HE2 TYR 69 10.504 30.209 10.175 559 HH TYR 69 HH TYR 69 13.773 30.718 9.836 560 H ARG 70 HN ARG 70 10.618 32.916 4.859 561 HA ARG 70 HA ARG 70 12.555 32.096 2.836 562 HB2 ARG 70 HB2 ARG 70 13.026 34.440 2.591 563 HB3 ARG 70 HB1 ARG 70 11.287 34.347 2.837 564 HG2 ARG 70 HG2 ARG 70 11.645 34.765 5.272 565 HG3 ARG 70 HG1 ARG 70 13.366 34.956 4.961 566 HD2 ARG 70 HD2 ARG 70 12.693 36.747 3.240 567 HD3 ARG 70 HD1 ARG 70 11.095 36.695 3.983 568 HE ARG 70 HE ARG 70 13.432 37.948 5.122 569 HH11 ARG 70 HH11 ARG 70 10.209 37.680 5.465 570 HH12 ARG 70 HH12 ARG 70 10.165 37.606 7.194 571 HH21 ARG 70 HH21 ARG 70 13.634 37.167 7.460 572 HH22 ARG 70 HH22 ARG 70 12.158 37.301 8.355 573 H ALA 71 HN ALA 71 14.763 32.320 3.105 574 HA ALA 71 HA ALA 71 15.755 32.696 5.839 575 HB1 ALA 71 HB1 ALA 71 16.892 30.573 5.868 576 HB2 ALA 71 HB2 ALA 71 16.583 30.304 4.157 577 HB3 ALA 71 HB3 ALA 71 15.261 30.211 5.316 578 H ARG 72 HN ARG 72 18.021 33.091 5.939 579 HA ARG 72 HA ARG 72 19.063 34.930 4.185 580 HB2 ARG 72 HB2 ARG 72 21.024 32.875 5.183 581 HB3 ARG 72 HB1 ARG 72 21.087 34.628 5.325 582 HG2 ARG 72 HG2 ARG 72 19.309 32.756 6.933 583 HG3 ARG 72 HG1 ARG 72 20.696 33.650 7.538 584 HD2 ARG 72 HD2 ARG 72 19.440 35.769 6.700 585 HD3 ARG 72 HD1 ARG 72 18.019 34.730 6.649 586 HE ARG 72 HE ARG 72 19.515 35.461 9.115 587 HH11 ARG 72 HH21 ARG 72 17.183 33.531 7.537 588 HH12 ARG 72 HH22 ARG 72 16.109 33.439 8.892 589 HH21 ARG 72 HH11 ARG 72 18.083 35.565 10.858 590 HH22 ARG 72 HH12 ARG 72 16.630 34.622 10.822 Start of MODEL 9 1 HA MET 1 HA MET 1 3.335 11.455 10.541 2 HB2 MET 1 HB2 MET 1 4.932 9.237 10.184 3 HB3 MET 1 HB1 MET 1 3.778 9.393 11.503 4 HG2 MET 1 HG2 MET 1 3.410 7.276 10.411 5 HG3 MET 1 HG1 MET 1 2.050 8.322 10.099 6 HE1 MET 1 HE1 MET 1 1.972 5.931 8.872 7 HE2 MET 1 HE2 MET 1 3.647 5.495 8.532 8 HE3 MET 1 HE3 MET 1 2.507 5.721 7.204 9 H SER 2 HN SER 2 2.876 10.523 7.333 10 HA SER 2 HA SER 2 4.933 12.284 6.385 11 HB2 SER 2 HB2 SER 2 5.965 9.906 5.251 12 HB3 SER 2 HB1 SER 2 6.714 10.808 6.584 13 HG SER 2 HG SER 2 4.864 8.671 6.696 14 H LYS 3 HN LYS 3 2.160 10.705 6.003 15 HA LYS 3 HA LYS 3 2.359 10.310 3.075 16 HB2 LYS 3 HB2 LYS 3 1.068 8.607 4.179 17 HB3 LYS 3 HB1 LYS 3 0.215 9.782 5.172 18 HG2 LYS 3 HG2 LYS 3 -1.165 10.466 3.412 19 HG3 LYS 3 HG1 LYS 3 -0.022 9.943 2.181 20 HD2 LYS 3 HD2 LYS 3 -2.054 8.453 2.404 21 HD3 LYS 3 HD1 LYS 3 -0.522 7.613 2.608 22 HE2 LYS 3 HE2 LYS 3 -0.787 7.422 4.933 23 HE3 LYS 3 HE1 LYS 3 -1.913 8.769 5.013 24 HZ1 LYS 3 HZ1 LYS 3 -2.489 6.051 4.793 25 HZ2 LYS 3 HZ2 LYS 3 -3.009 6.797 3.359 26 HZ3 LYS 3 HZ3 LYS 3 -3.576 7.355 4.860 27 H GLU 4 HN GLU 4 2.213 12.103 1.901 28 HA GLU 4 HA GLU 4 -0.136 13.851 2.309 29 HB2 GLU 4 HB2 GLU 4 1.863 14.792 3.621 30 HB3 GLU 4 HB1 GLU 4 2.688 14.993 2.079 31 HG2 GLU 4 HG2 GLU 4 1.536 17.086 2.784 32 HG3 GLU 4 HG1 GLU 4 0.870 16.457 1.280 33 H ASP 5 HN ASP 5 -0.409 15.378 0.486 34 HA ASP 5 HA ASP 5 0.393 14.018 -2.021 35 HB2 ASP 5 HB2 ASP 5 -1.547 16.328 -1.497 36 HB3 ASP 5 HB1 ASP 5 -1.334 15.518 -3.046 37 H SER 6 HN SER 6 0.519 17.262 -0.559 38 HA SER 6 HA SER 6 1.976 18.414 -2.775 39 HB2 SER 6 HB2 SER 6 1.574 19.258 0.143 40 HB3 SER 6 HB1 SER 6 2.468 20.251 -1.026 41 HG SER 6 HG SER 6 0.151 20.658 -0.937 42 H PHE 7 HN PHE 7 4.162 19.604 -2.022 43 HA PHE 7 HA PHE 7 5.878 17.764 -0.483 44 HB2 PHE 7 HB2 PHE 7 6.168 18.266 -3.481 45 HB3 PHE 7 HB1 PHE 7 7.499 17.663 -2.495 46 HD1 PHE 7 HD1 PHE 7 6.653 15.680 -0.798 47 HD2 PHE 7 HD2 PHE 7 4.933 16.619 -4.583 48 HE1 PHE 7 HE1 PHE 7 5.711 13.417 -0.937 49 HE2 PHE 7 HE2 PHE 7 3.999 14.351 -4.715 50 HZ PHE 7 HZ PHE 7 4.393 12.748 -2.898 51 H GLU 8 HN GLU 8 7.377 18.862 0.579 52 HA GLU 8 HA GLU 8 7.719 21.732 -0.080 53 HB2 GLU 8 HB2 GLU 8 8.991 21.668 2.176 54 HB3 GLU 8 HB1 GLU 8 7.270 21.303 2.259 55 HG2 GLU 8 HG2 GLU 8 7.668 18.962 2.453 56 HG3 GLU 8 HG1 GLU 8 9.338 19.119 1.917 57 H MET 9 HN MET 9 9.696 22.672 -0.444 58 HA MET 9 HA MET 9 12.156 21.104 -0.441 59 HB2 MET 9 HB2 MET 9 10.616 20.799 -2.702 60 HB3 MET 9 HB1 MET 9 11.560 22.214 -3.154 61 HG2 MET 9 HG2 MET 9 13.629 21.005 -2.539 62 HG3 MET 9 HG1 MET 9 12.682 19.601 -2.127 63 HE1 MET 9 HE1 MET 9 11.926 17.768 -5.192 64 HE2 MET 9 HE2 MET 9 10.833 18.710 -4.177 65 HE3 MET 9 HE3 MET 9 12.156 17.803 -3.443 66 H GLU 10 HN GLU 10 13.762 22.466 0.003 67 HA GLU 10 HA GLU 10 13.255 25.314 0.100 68 HB2 GLU 10 HB2 GLU 10 15.947 23.878 0.303 69 HB3 GLU 10 HB1 GLU 10 15.538 25.453 0.977 70 HG2 GLU 10 HG2 GLU 10 13.684 24.177 2.285 71 HG3 GLU 10 HG1 GLU 10 14.592 22.725 1.868 72 H GLY 11 HN GLY 11 14.169 26.960 -1.130 73 HA2 GLY 11 HA2 GLY 11 15.912 26.300 -3.407 74 HA3 GLY 11 HA1 GLY 11 14.278 26.787 -3.867 75 H THR 12 HN THR 12 15.683 28.519 -4.914 76 HA THR 12 HA THR 12 16.018 30.782 -2.967 77 HB THR 12 HB THR 12 17.717 30.076 -5.451 78 HG1 THR 12 HG1 THR 12 17.866 29.069 -3.233 79 HG21 THR 12 HG21 THR 12 18.083 32.318 -3.390 80 HG22 THR 12 HG22 THR 12 17.393 32.605 -4.983 81 HG23 THR 12 HG23 THR 12 19.052 32.049 -4.836 82 H VAL 13 HN VAL 13 15.538 32.873 -3.776 83 HA VAL 13 HA VAL 13 13.550 32.780 -6.084 84 HB VAL 13 HB VAL 13 14.036 34.973 -3.987 85 HG11 VAL 13 HG11 VAL 13 13.018 35.857 -6.003 86 HG12 VAL 13 HG12 VAL 13 11.779 35.747 -4.754 87 HG13 VAL 13 HG13 VAL 13 11.839 34.551 -6.043 88 HG21 VAL 13 HG21 VAL 13 12.086 34.066 -2.838 89 HG22 VAL 13 HG22 VAL 13 13.173 32.712 -3.124 90 HG23 VAL 13 HG23 VAL 13 11.760 32.939 -4.149 91 H VAL 14 HN VAL 14 14.519 33.352 -8.055 92 HA VAL 14 HA VAL 14 15.625 36.053 -8.138 93 HB VAL 14 HB VAL 14 17.315 34.105 -9.582 94 HG11 VAL 14 HG11 VAL 14 18.973 35.653 -9.131 95 HG12 VAL 14 HG12 VAL 14 18.354 35.983 -7.517 96 HG13 VAL 14 HG13 VAL 14 17.570 36.693 -8.924 97 HG21 VAL 14 HG21 VAL 14 16.781 32.798 -7.537 98 HG22 VAL 14 HG22 VAL 14 17.394 34.132 -6.580 99 HG23 VAL 14 HG23 VAL 14 18.478 33.246 -7.630 100 H ASP 15 HN ASP 15 13.737 36.258 -9.235 101 HA ASP 15 HA ASP 15 13.887 36.540 -12.010 102 HB2 ASP 15 HB2 ASP 15 13.680 34.060 -12.088 103 HB3 ASP 15 HB1 ASP 15 12.252 34.166 -11.085 104 H THR 16 HN THR 16 12.101 37.727 -12.724 105 HA THR 16 HA THR 16 9.887 38.059 -10.718 106 HB THR 16 HB THR 16 11.018 40.128 -10.371 107 HG1 THR 16 HG1 THR 16 10.086 41.507 -12.233 108 HG21 THR 16 HG21 THR 16 12.183 41.316 -12.293 109 HG22 THR 16 HG22 THR 16 11.736 39.984 -13.357 110 HG23 THR 16 HG23 THR 16 12.864 39.714 -12.034 111 H LEU 17 HN LEU 17 8.242 37.122 -11.739 112 HA LEU 17 HA LEU 17 7.837 37.646 -14.600 113 HB2 LEU 17 HB2 LEU 17 6.500 35.817 -12.595 114 HB3 LEU 17 HB1 LEU 17 5.914 35.987 -14.231 115 HG LEU 17 HG LEU 17 8.615 34.974 -13.364 116 HD11 LEU 17 HD21 LEU 17 6.780 33.372 -13.291 117 HD12 LEU 17 HD22 LEU 17 7.853 32.992 -14.633 118 HD13 LEU 17 HD23 LEU 17 6.322 33.803 -14.934 119 HD21 LEU 17 HD11 LEU 17 8.716 34.601 -15.992 120 HD22 LEU 17 HD12 LEU 17 9.237 36.133 -15.296 121 HD23 LEU 17 HD13 LEU 17 7.634 35.988 -16.012 122 HA PRO 18 HA PRO 18 4.463 40.343 -13.659 123 HB2 PRO 18 HB2 PRO 18 2.982 40.075 -16.028 124 HB3 PRO 18 HB1 PRO 18 4.453 41.045 -15.893 125 HG2 PRO 18 HG2 PRO 18 4.069 38.507 -17.333 126 HG3 PRO 18 HG1 PRO 18 5.465 39.590 -17.374 127 HD2 PRO 18 HD1 PRO 18 5.158 37.088 -15.904 128 HD3 PRO 18 HD2 PRO 18 6.598 38.090 -16.091 129 H ASN 19 HN ASN 19 2.133 40.503 -13.407 130 HA ASN 19 HA ASN 19 -0.017 39.677 -12.991 131 HB2 ASN 19 HB2 ASN 19 0.780 36.835 -13.673 132 HB3 ASN 19 HB1 ASN 19 -0.724 37.673 -14.018 133 HD21 ASN 19 HD21 ASN 19 0.300 40.003 -15.311 134 HD22 ASN 19 HD22 ASN 19 1.026 39.534 -16.772 135 H THR 20 HN THR 20 2.463 39.566 -11.311 136 HA THR 20 HA THR 20 2.825 39.092 -9.047 137 HB THR 20 HB THR 20 0.401 37.266 -8.872 138 HG1 THR 20 HG1 THR 20 0.440 39.548 -10.202 139 HG21 THR 20 HG21 THR 20 1.287 39.791 -7.352 140 HG22 THR 20 HG22 THR 20 1.656 38.155 -6.815 141 HG23 THR 20 HG23 THR 20 -0.014 38.708 -6.866 142 H MET 21 HN MET 21 4.463 37.758 -10.542 143 HA MET 21 HA MET 21 4.494 35.071 -9.265 144 HB2 MET 21 HB2 MET 21 4.273 35.592 -12.257 145 HB3 MET 21 HB1 MET 21 5.112 34.156 -11.682 146 HG2 MET 21 HG2 MET 21 3.028 33.750 -10.227 147 HG3 MET 21 HG1 MET 21 2.242 34.952 -11.215 148 HE1 MET 21 HE1 MET 21 0.275 33.507 -11.837 149 HE2 MET 21 HE2 MET 21 0.406 32.933 -13.500 150 HE3 MET 21 HE3 MET 21 0.938 34.563 -13.085 151 H PHE 22 HN PHE 22 6.551 33.986 -9.458 152 HA PHE 22 HA PHE 22 8.803 35.570 -10.523 153 HB2 PHE 22 HB2 PHE 22 8.798 34.655 -7.604 154 HB3 PHE 22 HB1 PHE 22 9.905 35.785 -8.374 155 HD1 PHE 22 HD1 PHE 22 6.331 35.353 -7.387 156 HD2 PHE 22 HD2 PHE 22 9.415 38.118 -8.394 157 HE1 PHE 22 HE1 PHE 22 4.882 37.220 -6.719 158 HE2 PHE 22 HE2 PHE 22 7.952 39.977 -7.736 159 HZ PHE 22 HZ PHE 22 5.696 39.529 -6.882 160 H ARG 23 HN ARG 23 10.814 34.226 -10.480 161 HA ARG 23 HA ARG 23 10.006 31.321 -10.574 162 HB2 ARG 23 HB2 ARG 23 11.301 32.622 -12.551 163 HB3 ARG 23 HB1 ARG 23 12.705 32.223 -11.565 164 HG2 ARG 23 HG2 ARG 23 12.258 29.884 -11.656 165 HG3 ARG 23 HG1 ARG 23 10.670 30.142 -12.352 166 HD2 ARG 23 HD2 ARG 23 13.280 30.904 -13.705 167 HD3 ARG 23 HD1 ARG 23 12.362 29.443 -14.061 168 HE ARG 23 HE ARG 23 10.461 31.080 -14.672 169 HH11 ARG 23 HH21 ARG 23 12.915 30.754 -16.548 170 HH12 ARG 23 HH22 ARG 23 13.152 32.401 -17.031 171 HH21 ARG 23 HH11 ARG 23 11.102 33.652 -14.484 172 HH22 ARG 23 HH12 ARG 23 12.101 34.080 -15.831 173 H VAL 24 HN VAL 24 10.768 29.911 -9.260 174 HA VAL 24 HA VAL 24 12.824 30.854 -7.299 175 HB VAL 24 HB VAL 24 10.364 29.075 -7.160 176 HG11 VAL 24 HG21 VAL 24 11.553 27.460 -6.110 177 HG12 VAL 24 HG22 VAL 24 11.617 28.602 -4.775 178 HG13 VAL 24 HG23 VAL 24 12.954 28.502 -5.898 179 HG21 VAL 24 HG11 VAL 24 10.313 31.416 -6.370 180 HG22 VAL 24 HG12 VAL 24 11.659 31.077 -5.287 181 HG23 VAL 24 HG13 VAL 24 10.102 30.302 -5.025 182 H GLU 25 HN GLU 25 14.698 29.850 -7.483 183 HA GLU 25 HA GLU 25 14.825 27.603 -9.428 184 HB2 GLU 25 HB2 GLU 25 17.176 28.918 -7.985 185 HB3 GLU 25 HB1 GLU 25 17.162 28.107 -9.547 186 HG2 GLU 25 HG2 GLU 25 15.519 29.941 -10.300 187 HG3 GLU 25 HG1 GLU 25 15.985 30.801 -8.834 188 H LEU 26 HN LEU 26 15.441 25.782 -9.066 189 HA LEU 26 HA LEU 26 16.354 24.794 -6.451 190 HB2 LEU 26 HB2 LEU 26 14.209 23.537 -8.259 191 HB3 LEU 26 HB1 LEU 26 14.857 22.796 -6.814 192 HG LEU 26 HG LEU 26 13.628 25.547 -6.753 193 HD11 LEU 26 HD21 LEU 26 11.487 24.661 -6.425 194 HD12 LEU 26 HD22 LEU 26 12.103 23.068 -6.004 195 HD13 LEU 26 HD23 LEU 26 12.116 23.602 -7.680 196 HD21 LEU 26 HD11 LEU 26 14.930 24.910 -4.794 197 HD22 LEU 26 HD12 LEU 26 14.133 23.344 -4.716 198 HD23 LEU 26 HD13 LEU 26 13.228 24.813 -4.358 199 H GLU 27 HN GLU 27 17.643 25.771 -8.680 200 HA GLU 27 HA GLU 27 18.395 24.321 -10.845 201 HB2 GLU 27 HB2 GLU 27 20.761 25.194 -10.411 202 HB3 GLU 27 HB1 GLU 27 19.504 26.421 -10.312 203 HG2 GLU 27 HG2 GLU 27 19.490 26.299 -7.884 204 HG3 GLU 27 HG1 GLU 27 20.586 24.919 -7.904 205 H ASN 28 HN ASN 28 18.477 23.095 -7.771 206 HA ASN 28 HA ASN 28 20.782 21.404 -8.095 207 HB2 ASN 28 HB2 ASN 28 19.596 20.048 -6.258 208 HB3 ASN 28 HB1 ASN 28 19.777 21.747 -5.829 209 HD21 ASN 28 HD21 ASN 28 17.882 22.729 -5.126 210 HD22 ASN 28 HD22 ASN 28 16.310 22.210 -5.504 211 H GLY 29 HN GLY 29 18.802 21.804 -10.248 212 HA2 GLY 29 HA2 GLY 29 18.617 20.126 -12.044 213 HA3 GLY 29 HA1 GLY 29 18.034 19.009 -10.816 214 H HIS 30 HN HIS 30 16.530 21.696 -9.761 215 HA HIS 30 HA HIS 30 14.247 21.426 -11.703 216 HB2 HIS 30 HB2 HIS 30 14.352 20.997 -8.776 217 HB3 HIS 30 HB1 HIS 30 13.023 22.033 -9.292 218 HD1 HIS 30 HD1 HIS 30 12.180 20.755 -11.777 219 HD2 HIS 30 HD2 HIS 30 13.281 18.480 -8.600 220 HE1 HIS 30 HE1 HIS 30 11.128 18.606 -12.164 221 H VAL 31 HN VAL 31 12.949 23.166 -12.088 222 HA VAL 31 HA VAL 31 13.727 25.845 -10.904 223 HB VAL 31 HB VAL 31 14.476 25.220 -13.433 224 HG11 VAL 31 HG21 VAL 31 12.773 25.692 -15.104 225 HG12 VAL 31 HG22 VAL 31 11.598 26.095 -13.857 226 HG13 VAL 31 HG23 VAL 31 12.157 24.433 -14.039 227 HG21 VAL 31 HG11 VAL 31 13.912 27.638 -14.087 228 HG22 VAL 31 HG12 VAL 31 14.812 27.437 -12.588 229 HG23 VAL 31 HG13 VAL 31 13.081 27.756 -12.538 230 H VAL 32 HN VAL 32 11.807 27.121 -10.425 231 HA VAL 32 HA VAL 32 9.249 26.071 -11.486 232 HB VAL 32 HB VAL 32 9.287 26.615 -8.605 233 HG11 VAL 32 HG21 VAL 32 7.245 25.969 -9.687 234 HG12 VAL 32 HG22 VAL 32 7.775 24.632 -8.668 235 HG13 VAL 32 HG23 VAL 32 8.044 24.575 -10.403 236 HG21 VAL 32 HG11 VAL 32 10.447 24.087 -9.786 237 HG22 VAL 32 HG12 VAL 32 10.093 24.334 -8.083 238 HG23 VAL 32 HG13 VAL 32 11.353 25.282 -8.863 239 H THR 33 HN THR 33 7.430 27.316 -10.827 240 HA THR 33 HA THR 33 8.114 30.209 -10.727 241 HB THR 33 HB THR 33 5.615 28.800 -11.812 242 HG1 THR 33 HG1 THR 33 8.104 29.445 -12.758 243 HG21 THR 33 HG21 THR 33 5.473 31.146 -12.986 244 HG22 THR 33 HG22 THR 33 6.612 31.693 -11.761 245 HG23 THR 33 HG23 THR 33 5.019 31.113 -11.284 246 H ALA 34 HN ALA 34 7.891 30.894 -8.661 247 HA ALA 34 HA ALA 34 5.610 29.725 -7.113 248 HB1 ALA 34 HB1 ALA 34 8.194 29.675 -6.397 249 HB2 ALA 34 HB2 ALA 34 6.929 29.903 -5.195 250 HB3 ALA 34 HB3 ALA 34 7.819 31.293 -5.810 251 H HIS 35 HN HIS 35 4.942 31.256 -5.299 252 HA HIS 35 HA HIS 35 4.645 34.021 -6.407 253 HB2 HIS 35 HB2 HIS 35 2.486 32.340 -5.007 254 HB3 HIS 35 HB1 HIS 35 2.276 33.969 -5.644 255 HD1 HIS 35 HD1 HIS 35 3.469 30.756 -7.079 256 HD2 HIS 35 HD2 HIS 35 1.152 33.918 -8.124 257 HE1 HIS 35 HE1 HIS 35 2.693 30.239 -9.315 258 H ILE 36 HN ILE 36 4.174 35.586 -4.732 259 HA ILE 36 HA ILE 36 5.518 34.808 -2.191 260 HB ILE 36 HB ILE 36 6.414 36.736 -3.476 261 HG12 ILE 36 HG12 ILE 36 4.931 37.797 -1.060 262 HG13 ILE 36 HG11 ILE 36 6.367 36.783 -0.943 263 HG21 ILE 36 HG21 ILE 36 3.982 37.220 -4.381 264 HG22 ILE 36 HG22 ILE 36 5.043 38.594 -4.097 265 HG23 ILE 36 HG23 ILE 36 3.798 38.187 -2.922 266 HD11 ILE 36 HD11 ILE 36 6.152 39.627 -1.664 267 HD12 ILE 36 HD12 ILE 36 7.118 38.702 -2.811 268 HD13 ILE 36 HD13 ILE 36 7.555 38.722 -1.105 269 H SER 37 HN SER 37 4.694 35.640 -0.177 270 HA SER 37 HA SER 37 1.744 35.586 -0.097 271 HB2 SER 37 HB2 SER 37 3.579 34.214 1.409 272 HB3 SER 37 HB1 SER 37 3.302 35.620 2.454 273 HG SER 37 HG SER 37 1.155 35.206 2.466 274 H GLY 38 HN GLY 38 1.450 36.769 2.440 275 HA2 GLY 38 HA2 GLY 38 0.871 39.429 1.884 276 HA3 GLY 38 HA1 GLY 38 1.253 38.866 3.507 277 H LYS 39 HN LYS 39 4.002 38.116 2.049 278 HA LYS 39 HA LYS 39 5.570 40.107 3.201 279 HB2 LYS 39 HB2 LYS 39 6.078 38.721 0.531 280 HB3 LYS 39 HB1 LYS 39 7.306 39.510 1.497 281 HG2 LYS 39 HG2 LYS 39 5.590 37.351 2.704 282 HG3 LYS 39 HG1 LYS 39 6.982 36.917 1.719 283 HD2 LYS 39 HD2 LYS 39 7.076 38.778 4.115 284 HD3 LYS 39 HD1 LYS 39 7.557 37.085 4.142 285 HE2 LYS 39 HE2 LYS 39 8.948 39.429 2.954 286 HE3 LYS 39 HE1 LYS 39 9.622 37.965 3.658 287 HZ1 LYS 39 HZ1 LYS 39 10.004 38.099 1.271 288 HZ2 LYS 39 HZ2 LYS 39 8.329 38.137 0.993 289 HZ3 LYS 39 HZ3 LYS 39 9.046 36.755 1.672 290 H MET 40 HN MET 40 3.606 40.245 0.360 291 HA MET 40 HA MET 40 4.755 42.466 -0.953 292 HB2 MET 40 HB2 MET 40 2.569 40.867 -1.393 293 HB3 MET 40 HB1 MET 40 1.770 42.322 -0.813 294 HG2 MET 40 HG2 MET 40 3.357 43.554 -2.461 295 HG3 MET 40 HG1 MET 40 3.579 41.985 -3.188 296 HE1 MET 40 HE1 MET 40 1.526 40.484 -3.850 297 HE2 MET 40 HE2 MET 40 -0.076 41.103 -4.252 298 HE3 MET 40 HE3 MET 40 0.428 40.992 -2.566 299 H ARG 41 HN ARG 41 2.236 42.283 1.514 300 HA ARG 41 HA ARG 41 1.825 45.076 1.814 301 HB2 ARG 41 HB2 ARG 41 1.610 42.806 3.866 302 HB3 ARG 41 HB1 ARG 41 0.886 44.399 4.057 303 HG2 ARG 41 HG2 ARG 41 -0.468 44.034 2.021 304 HG3 ARG 41 HG1 ARG 41 0.268 42.448 1.815 305 HD2 ARG 41 HD2 ARG 41 -1.454 43.355 4.146 306 HD3 ARG 41 HD1 ARG 41 -1.871 42.144 2.935 307 HE ARG 41 HE ARG 41 0.580 41.505 4.387 308 HH11 ARG 41 HH21 ARG 41 -2.505 40.598 3.495 309 HH12 ARG 41 HH22 ARG 41 -2.807 39.569 4.854 310 HH21 ARG 41 HH11 ARG 41 0.119 40.565 6.510 311 HH22 ARG 41 HH12 ARG 41 -1.285 39.553 6.610 312 H LYS 42 HN LYS 42 4.279 42.946 2.904 313 HA LYS 42 HA LYS 42 5.388 44.916 4.776 314 HB2 LYS 42 HB2 LYS 42 6.125 42.037 4.080 315 HB3 LYS 42 HB1 LYS 42 7.062 43.019 5.198 316 HG2 LYS 42 HG2 LYS 42 4.891 43.395 6.490 317 HG3 LYS 42 HG1 LYS 42 4.176 42.141 5.483 318 HD2 LYS 42 HD2 LYS 42 6.078 40.621 6.192 319 HD3 LYS 42 HD1 LYS 42 6.555 41.859 7.346 320 HE2 LYS 42 HE2 LYS 42 4.155 41.763 8.231 321 HE3 LYS 42 HE1 LYS 42 3.955 40.310 7.260 322 HZ1 LYS 42 HZ1 LYS 42 4.657 40.026 9.661 323 HZ2 LYS 42 HZ2 LYS 42 6.182 40.593 9.175 324 HZ3 LYS 42 HZ3 LYS 42 5.545 39.175 8.490 325 H ASN 43 HN ASN 43 5.477 44.305 1.562 326 HA ASN 43 HA ASN 43 8.251 44.390 0.933 327 HB2 ASN 43 HB2 ASN 43 7.527 44.964 -1.292 328 HB3 ASN 43 HB1 ASN 43 6.215 44.001 -0.636 329 HD21 ASN 43 HD21 ASN 43 5.873 45.984 -2.739 330 HD22 ASN 43 HD22 ASN 43 4.864 47.204 -2.125 331 H TYR 44 HN TYR 44 6.511 46.599 2.646 332 HA TYR 44 HA TYR 44 7.257 49.080 1.531 333 HB2 TYR 44 HB2 TYR 44 5.884 48.597 3.715 334 HB3 TYR 44 HB1 TYR 44 7.452 48.522 4.518 335 HD1 TYR 44 HD2 TYR 44 5.843 50.732 1.945 336 HD2 TYR 44 HD1 TYR 44 8.053 50.517 5.572 337 HE1 TYR 44 HE2 TYR 44 5.911 53.181 2.049 338 HE2 TYR 44 HE1 TYR 44 8.119 52.965 5.675 339 HH TYR 44 HH TYR 44 7.617 54.867 4.663 340 H ILE 45 HN ILE 45 9.051 46.602 2.520 341 HA ILE 45 HA ILE 45 11.569 48.038 2.193 342 HB ILE 45 HB ILE 45 11.135 46.161 4.546 343 HG12 ILE 45 HG12 ILE 45 10.962 49.192 4.589 344 HG13 ILE 45 HG11 ILE 45 9.607 48.088 4.810 345 HG21 ILE 45 HG21 ILE 45 13.121 48.438 4.419 346 HG22 ILE 45 HG22 ILE 45 13.450 46.999 3.458 347 HG23 ILE 45 HG23 ILE 45 13.287 46.874 5.207 348 HD11 ILE 45 HD11 ILE 45 11.180 47.046 6.674 349 HD12 ILE 45 HD12 ILE 45 10.198 48.463 7.026 350 HD13 ILE 45 HD13 ILE 45 11.906 48.650 6.648 351 H ARG 46 HN ARG 46 10.338 46.353 0.449 352 HA ARG 46 HA ARG 46 10.633 43.626 0.515 353 HB2 ARG 46 HB2 ARG 46 10.999 43.727 -1.915 354 HB3 ARG 46 HB1 ARG 46 9.892 45.021 -1.466 355 HG2 ARG 46 HG2 ARG 46 11.977 46.517 -1.269 356 HG3 ARG 46 HG1 ARG 46 12.841 45.231 -2.107 357 HD2 ARG 46 HD2 ARG 46 11.081 45.362 -3.929 358 HD3 ARG 46 HD1 ARG 46 10.452 46.800 -3.131 359 HE ARG 46 HE ARG 46 12.994 46.616 -4.608 360 HH11 ARG 46 HH11 ARG 46 12.902 47.932 -1.742 361 HH12 ARG 46 HH12 ARG 46 12.841 49.604 -2.196 362 HH21 ARG 46 HH21 ARG 46 12.081 48.878 -5.538 363 HH22 ARG 46 HH22 ARG 46 12.365 50.153 -4.400 364 H ILE 47 HN ILE 47 12.222 42.143 -0.109 365 HA ILE 47 HA ILE 47 14.972 42.991 0.656 366 HB ILE 47 HB ILE 47 13.835 41.084 1.886 367 HG12 ILE 47 HG12 ILE 47 15.739 39.463 1.597 368 HG13 ILE 47 HG11 ILE 47 16.288 40.415 0.224 369 HG21 ILE 47 HG21 ILE 47 14.252 39.503 -0.688 370 HG22 ILE 47 HG22 ILE 47 12.724 40.320 -0.377 371 HG23 ILE 47 HG23 ILE 47 13.284 39.058 0.713 372 HD11 ILE 47 HD11 ILE 47 16.900 42.230 1.554 373 HD12 ILE 47 HD12 ILE 47 17.244 40.896 2.652 374 HD13 ILE 47 HD13 ILE 47 15.754 41.818 2.825 375 H LEU 48 HN LEU 48 16.755 42.421 -0.604 376 HA LEU 48 HA LEU 48 16.452 42.646 -3.402 377 HB2 LEU 48 HB2 LEU 48 18.695 41.489 -1.683 378 HB3 LEU 48 HB1 LEU 48 18.856 41.707 -3.424 379 HG LEU 48 HG LEU 48 18.095 43.942 -1.513 380 HD11 LEU 48 HD11 LEU 48 20.346 44.589 -1.404 381 HD12 LEU 48 HD12 LEU 48 20.777 43.689 -2.855 382 HD13 LEU 48 HD13 LEU 48 20.484 42.834 -1.344 383 HD21 LEU 48 HD21 LEU 48 17.410 44.682 -3.606 384 HD22 LEU 48 HD22 LEU 48 18.578 43.677 -4.457 385 HD23 LEU 48 HD23 LEU 48 19.102 45.164 -3.673 386 H THR 49 HN THR 49 17.200 41.037 -5.003 387 HA THR 49 HA THR 49 15.498 38.687 -4.941 388 HB THR 49 HB THR 49 16.330 39.906 -7.049 389 HG1 THR 49 HG1 THR 49 17.017 37.166 -6.681 390 HG21 THR 49 HG21 THR 49 18.857 38.237 -6.596 391 HG22 THR 49 HG22 THR 49 18.818 39.944 -6.163 392 HG23 THR 49 HG23 THR 49 18.591 39.454 -7.840 393 H GLY 50 HN GLY 50 15.978 36.700 -4.956 394 HA2 GLY 50 HA2 GLY 50 17.118 34.700 -4.559 395 HA3 GLY 50 HA1 GLY 50 18.560 35.608 -4.176 396 H ASP 51 HN ASP 51 15.440 34.675 -3.121 397 HA ASP 51 HA ASP 51 16.222 35.151 -0.304 398 HB2 ASP 51 HB2 ASP 51 13.652 35.238 -1.848 399 HB3 ASP 51 HB1 ASP 51 13.547 34.495 -0.260 400 H LYS 52 HN LYS 52 16.818 33.262 0.759 401 HA LYS 52 HA LYS 52 16.295 30.805 -0.765 402 HB2 LYS 52 HB2 LYS 52 18.002 31.597 1.467 403 HB3 LYS 52 HB1 LYS 52 17.005 30.258 2.019 404 HG2 LYS 52 HG2 LYS 52 18.819 29.140 1.042 405 HG3 LYS 52 HG1 LYS 52 17.661 29.170 -0.283 406 HD2 LYS 52 HD2 LYS 52 19.693 29.939 -1.248 407 HD3 LYS 52 HD1 LYS 52 18.762 31.405 -0.956 408 HE2 LYS 52 HE2 LYS 52 20.517 32.160 0.250 409 HE3 LYS 52 HE1 LYS 52 20.113 30.947 1.456 410 HZ1 LYS 52 HZ1 LYS 52 22.450 31.068 0.213 411 HZ2 LYS 52 HZ2 LYS 52 21.630 30.001 -0.822 412 HZ3 LYS 52 HZ3 LYS 52 21.791 29.630 0.828 413 H VAL 53 HN VAL 53 14.274 29.948 -0.723 414 HA VAL 53 HA VAL 53 12.783 30.123 1.855 415 HB VAL 53 HB VAL 53 10.756 30.754 0.652 416 HG11 VAL 53 HG21 VAL 53 12.793 32.431 1.076 417 HG12 VAL 53 HG22 VAL 53 11.362 32.954 0.217 418 HG13 VAL 53 HG23 VAL 53 12.799 32.486 -0.667 419 HG21 VAL 53 HG11 VAL 53 10.799 29.663 -1.407 420 HG22 VAL 53 HG12 VAL 53 12.501 30.020 -1.672 421 HG23 VAL 53 HG13 VAL 53 11.294 31.276 -1.915 422 H ARG 54 HN ARG 54 10.697 28.902 1.840 423 HA ARG 54 HA ARG 54 11.425 26.165 0.895 424 HB2 ARG 54 HB2 ARG 54 10.685 26.607 3.300 425 HB3 ARG 54 HB1 ARG 54 9.100 27.046 2.671 426 HG2 ARG 54 HG2 ARG 54 8.818 24.830 1.708 427 HG3 ARG 54 HG1 ARG 54 10.466 24.389 2.141 428 HD2 ARG 54 HD2 ARG 54 9.268 23.451 3.920 429 HD3 ARG 54 HD1 ARG 54 9.668 25.034 4.584 430 HE ARG 54 HE ARG 54 7.256 25.523 3.396 431 HH11 ARG 54 HH21 ARG 54 7.422 25.398 6.319 432 HH12 ARG 54 HH22 ARG 54 6.367 24.086 6.728 433 HH21 ARG 54 HH11 ARG 54 6.359 22.812 3.462 434 HH22 ARG 54 HH12 ARG 54 5.751 22.583 5.068 435 H VAL 55 HN VAL 55 10.607 25.491 -0.939 436 HA VAL 55 HA VAL 55 8.201 26.839 -1.999 437 HB VAL 55 HB VAL 55 9.822 24.845 -3.565 438 HG11 VAL 55 HG11 VAL 55 9.366 26.576 -5.355 439 HG12 VAL 55 HG12 VAL 55 8.431 27.477 -4.165 440 HG13 VAL 55 HG13 VAL 55 7.911 25.868 -4.658 441 HG21 VAL 55 HG21 VAL 55 11.485 26.276 -2.365 442 HG22 VAL 55 HG22 VAL 55 10.700 27.700 -3.030 443 HG23 VAL 55 HG23 VAL 55 11.497 26.548 -4.099 444 H GLU 56 HN GLU 56 6.332 25.862 -1.831 445 HA GLU 56 HA GLU 56 6.287 22.939 -1.347 446 HB2 GLU 56 HB2 GLU 56 4.142 25.116 -1.129 447 HB3 GLU 56 HB1 GLU 56 3.878 23.418 -0.736 448 HG2 GLU 56 HG2 GLU 56 5.934 23.693 0.845 449 HG3 GLU 56 HG1 GLU 56 5.644 25.423 0.677 450 H LEU 57 HN LEU 57 5.802 21.638 -2.975 451 HA LEU 57 HA LEU 57 4.801 22.866 -5.479 452 HB2 LEU 57 HB2 LEU 57 5.662 19.976 -4.981 453 HB3 LEU 57 HB1 LEU 57 5.552 20.797 -6.525 454 HG LEU 57 HG LEU 57 7.369 21.884 -4.389 455 HD11 LEU 57 HD11 LEU 57 9.181 20.510 -5.558 456 HD12 LEU 57 HD12 LEU 57 7.875 19.568 -6.271 457 HD13 LEU 57 HD13 LEU 57 8.085 19.599 -4.522 458 HD21 LEU 57 HD21 LEU 57 7.372 21.898 -7.422 459 HD22 LEU 57 HD22 LEU 57 8.607 22.647 -6.420 460 HD23 LEU 57 HD23 LEU 57 6.954 23.255 -6.381 461 H THR 58 HN THR 58 3.053 21.969 -6.649 462 HA THR 58 HA THR 58 1.141 20.470 -4.878 463 HB THR 58 HB THR 58 -0.664 21.844 -5.794 464 HG1 THR 58 HG1 THR 58 1.266 23.011 -7.496 465 HG21 THR 58 HG21 THR 58 0.042 23.793 -4.722 466 HG22 THR 58 HG22 THR 58 1.253 24.079 -5.966 467 HG23 THR 58 HG23 THR 58 1.637 23.064 -4.576 468 HA PRO 59 HA PRO 59 0.853 17.306 -7.878 469 HB2 PRO 59 HB2 PRO 59 -2.040 17.066 -7.655 470 HB3 PRO 59 HB1 PRO 59 -0.813 16.014 -6.947 471 HG2 PRO 59 HG2 PRO 59 -2.464 17.997 -5.598 472 HG3 PRO 59 HG1 PRO 59 -1.297 16.886 -4.878 473 HD2 PRO 59 HD1 PRO 59 -1.000 19.714 -5.202 474 HD3 PRO 59 HD2 PRO 59 0.225 18.564 -4.632 475 H TYR 60 HN TYR 60 -1.050 20.186 -8.076 476 HA TYR 60 HA TYR 60 -2.318 19.711 -10.607 477 HB2 TYR 60 HB2 TYR 60 -3.113 21.608 -9.367 478 HB3 TYR 60 HB1 TYR 60 -1.482 22.206 -9.071 479 HD1 TYR 60 HD2 TYR 60 -4.009 21.683 -11.756 480 HD2 TYR 60 HD1 TYR 60 -0.443 23.697 -10.612 481 HE1 TYR 60 HE2 TYR 60 -4.160 23.086 -13.763 482 HE2 TYR 60 HE1 TYR 60 -0.594 25.101 -12.618 483 HH TYR 60 HH TYR 60 -2.857 25.816 -14.203 484 H ASP 61 HN ASP 61 0.889 20.611 -9.668 485 HA ASP 61 HA ASP 61 2.153 19.896 -12.035 486 HB2 ASP 61 HB2 ASP 61 0.732 22.485 -12.230 487 HB3 ASP 61 HB1 ASP 61 2.439 22.615 -12.646 488 H LEU 62 HN LEU 62 3.787 19.380 -10.622 489 HA LEU 62 HA LEU 62 4.906 20.851 -8.587 490 HB2 LEU 62 HB2 LEU 62 6.517 19.314 -10.679 491 HB3 LEU 62 HB1 LEU 62 6.992 19.616 -9.012 492 HG LEU 62 HG LEU 62 4.734 18.444 -8.408 493 HD11 LEU 62 HD11 LEU 62 4.776 18.192 -11.284 494 HD12 LEU 62 HD12 LEU 62 3.523 17.694 -10.153 495 HD13 LEU 62 HD13 LEU 62 4.840 16.594 -10.551 496 HD21 LEU 62 HD21 LEU 62 6.927 16.726 -9.602 497 HD22 LEU 62 HD22 LEU 62 5.880 16.336 -8.241 498 HD23 LEU 62 HD23 LEU 62 7.114 17.582 -8.074 499 H SER 63 HN SER 63 5.281 21.376 -12.026 500 HA SER 63 HA SER 63 7.501 23.155 -11.942 501 HB2 SER 63 HB2 SER 63 5.074 23.565 -13.769 502 HB3 SER 63 HB1 SER 63 6.788 23.811 -14.152 503 HG SER 63 HG SER 63 5.321 21.543 -14.256 504 H LYS 64 HN LYS 64 4.623 23.361 -10.387 505 HA LYS 64 HA LYS 64 4.898 26.316 -10.068 506 HB2 LYS 64 HB2 LYS 64 2.274 24.734 -10.072 507 HB3 LYS 64 HB1 LYS 64 2.439 26.482 -9.993 508 HG2 LYS 64 HG2 LYS 64 3.663 24.996 -12.309 509 HG3 LYS 64 HG1 LYS 64 1.935 25.286 -12.308 510 HD2 LYS 64 HD2 LYS 64 2.917 27.767 -11.614 511 HD3 LYS 64 HD1 LYS 64 4.158 27.179 -12.712 512 HE2 LYS 64 HE2 LYS 64 1.997 26.447 -14.134 513 HE3 LYS 64 HE1 LYS 64 1.280 27.790 -13.252 514 HZ1 LYS 64 HZ1 LYS 64 2.550 29.288 -14.318 515 HZ2 LYS 64 HZ2 LYS 64 2.593 28.085 -15.516 516 HZ3 LYS 64 HZ3 LYS 64 3.892 28.255 -14.437 517 H GLY 65 HN GLY 65 4.616 27.078 -8.044 518 HA2 GLY 65 HA2 GLY 65 3.581 25.463 -5.865 519 HA3 GLY 65 HA1 GLY 65 5.341 25.586 -5.830 520 H ARG 66 HN ARG 66 4.621 26.693 -3.735 521 HA ARG 66 HA ARG 66 4.475 29.636 -4.339 522 HB2 ARG 66 HB2 ARG 66 3.173 29.243 -1.834 523 HB3 ARG 66 HB1 ARG 66 2.396 29.690 -3.349 524 HG2 ARG 66 HG2 ARG 66 2.262 27.234 -3.915 525 HG3 ARG 66 HG1 ARG 66 2.859 26.881 -2.297 526 HD2 ARG 66 HD2 ARG 66 0.936 28.018 -1.302 527 HD3 ARG 66 HD1 ARG 66 0.375 28.521 -2.894 528 HE ARG 66 HE ARG 66 0.622 25.612 -2.319 529 HH11 ARG 66 HH11 ARG 66 -1.616 27.718 -1.396 530 HH12 ARG 66 HH12 ARG 66 -2.888 27.223 -2.462 531 HH21 ARG 66 HH21 ARG 66 -0.753 25.247 -4.415 532 HH22 ARG 66 HH22 ARG 66 -2.387 25.783 -4.215 533 H ILE 67 HN ILE 67 5.185 30.984 -2.402 534 HA ILE 67 HA ILE 67 7.471 29.545 -1.093 535 HB ILE 67 HB ILE 67 6.844 32.457 -1.669 536 HG12 ILE 67 HG12 ILE 67 9.248 30.800 -2.435 537 HG13 ILE 67 HG11 ILE 67 7.810 30.876 -3.430 538 HG21 ILE 67 HG21 ILE 67 9.452 32.345 -0.676 539 HG22 ILE 67 HG22 ILE 67 8.605 31.218 0.374 540 HG23 ILE 67 HG23 ILE 67 8.058 32.886 0.251 541 HD11 ILE 67 HD11 ILE 67 8.080 33.458 -3.260 542 HD12 ILE 67 HD12 ILE 67 9.185 32.586 -4.318 543 HD13 ILE 67 HD13 ILE 67 9.719 33.106 -2.723 544 H THR 68 HN THR 68 7.675 29.422 1.129 545 HA THR 68 HA THR 68 6.162 31.065 2.857 546 HB THR 68 HB THR 68 4.189 29.762 2.560 547 HG1 THR 68 HG1 THR 68 5.770 28.092 4.233 548 HG21 THR 68 HG21 THR 68 4.491 27.144 2.335 549 HG22 THR 68 HG22 THR 68 6.175 27.504 1.966 550 HG23 THR 68 HG23 THR 68 4.896 28.105 0.915 551 H TYR 69 HN TYR 69 8.236 31.238 3.458 552 HA TYR 69 HA TYR 69 9.254 30.853 5.810 553 HB2 TYR 69 HB2 TYR 69 8.658 28.429 5.912 554 HB3 TYR 69 HB1 TYR 69 9.675 28.101 4.510 555 HD1 TYR 69 HD1 TYR 69 9.707 29.245 8.035 556 HD2 TYR 69 HD2 TYR 69 12.062 27.896 4.758 557 HE1 TYR 69 HE1 TYR 69 11.645 29.033 9.518 558 HE2 TYR 69 HE2 TYR 69 14.002 27.677 6.247 559 HH TYR 69 HH TYR 69 14.830 28.127 8.279 560 H ARG 70 HN ARG 70 10.571 32.451 5.085 561 HA ARG 70 HA ARG 70 12.598 31.780 3.096 562 HB2 ARG 70 HB2 ARG 70 12.999 34.260 3.043 563 HB3 ARG 70 HB1 ARG 70 11.354 33.807 2.602 564 HG2 ARG 70 HG2 ARG 70 11.776 34.161 5.492 565 HG3 ARG 70 HG1 ARG 70 11.996 35.625 4.546 566 HD2 ARG 70 HD2 ARG 70 9.790 35.338 3.522 567 HD3 ARG 70 HD1 ARG 70 9.578 33.799 4.353 568 HE ARG 70 HE ARG 70 9.548 36.472 5.662 569 HH11 ARG 70 HH11 ARG 70 7.474 34.118 5.385 570 HH12 ARG 70 HH12 ARG 70 7.424 33.587 7.032 571 HH21 ARG 70 HH21 ARG 70 10.308 35.375 7.907 572 HH22 ARG 70 HH22 ARG 70 9.072 34.316 8.498 573 H ALA 71 HN ALA 71 14.754 32.386 3.342 574 HA ALA 71 HA ALA 71 15.628 32.850 6.111 575 HB1 ALA 71 HB1 ALA 71 15.553 30.332 5.429 576 HB2 ALA 71 HB2 ALA 71 17.063 30.931 6.108 577 HB3 ALA 71 HB3 ALA 71 16.906 30.718 4.370 578 H ARG 72 HN ARG 72 17.530 33.963 6.279 579 HA ARG 72 HA ARG 72 18.540 35.141 3.747 580 HB2 ARG 72 HB2 ARG 72 17.823 36.532 5.799 581 HB3 ARG 72 HB1 ARG 72 19.240 35.897 6.622 582 HG2 ARG 72 HG2 ARG 72 20.621 36.765 4.659 583 HG3 ARG 72 HG1 ARG 72 19.172 37.611 4.126 584 HD2 ARG 72 HD2 ARG 72 20.530 37.938 6.830 585 HD3 ARG 72 HD1 ARG 72 20.552 39.110 5.514 586 HE ARG 72 HE ARG 72 17.833 38.460 6.235 587 HH11 ARG 72 HH21 ARG 72 18.610 41.198 5.626 588 HH12 ARG 72 HH22 ARG 72 18.649 41.975 7.173 589 HH21 ARG 72 HH11 ARG 72 18.759 38.941 8.924 590 HH22 ARG 72 HH12 ARG 72 18.733 40.665 9.087 Start of MODEL 10 1 HA MET 1 HA MET 1 12.202 9.036 -8.206 2 HB2 MET 1 HB2 MET 1 12.744 8.081 -11.037 3 HB3 MET 1 HB1 MET 1 12.475 9.724 -10.466 4 HG2 MET 1 HG2 MET 1 14.938 8.036 -10.316 5 HG3 MET 1 HG1 MET 1 14.772 9.692 -10.837 6 HE1 MET 1 HE1 MET 1 13.769 11.461 -9.102 7 HE2 MET 1 HE2 MET 1 15.478 11.689 -9.478 8 HE3 MET 1 HE3 MET 1 14.913 11.839 -7.814 9 H SER 2 HN SER 2 11.358 6.267 -7.711 10 HA SER 2 HA SER 2 9.337 5.653 -9.723 11 HB2 SER 2 HB2 SER 2 10.448 3.912 -8.217 12 HB3 SER 2 HB1 SER 2 9.553 4.604 -6.848 13 HG SER 2 HG SER 2 7.876 3.564 -7.548 14 H LYS 3 HN LYS 3 9.420 7.289 -6.616 15 HA LYS 3 HA LYS 3 6.476 7.620 -6.684 16 HB2 LYS 3 HB2 LYS 3 8.664 8.247 -4.667 17 HB3 LYS 3 HB1 LYS 3 7.035 8.879 -4.462 18 HG2 LYS 3 HG2 LYS 3 6.118 6.603 -4.517 19 HG3 LYS 3 HG1 LYS 3 7.722 5.943 -4.811 20 HD2 LYS 3 HD2 LYS 3 7.277 5.720 -2.446 21 HD3 LYS 3 HD1 LYS 3 8.459 7.011 -2.637 22 HE2 LYS 3 HE2 LYS 3 5.604 7.832 -2.752 23 HE3 LYS 3 HE1 LYS 3 6.188 7.296 -1.182 24 HZ1 LYS 3 HZ1 LYS 3 8.166 8.921 -2.126 25 HZ2 LYS 3 HZ2 LYS 3 7.003 9.325 -0.956 26 HZ3 LYS 3 HZ3 LYS 3 6.735 9.712 -2.588 27 H GLU 4 HN GLU 4 5.474 9.625 -6.721 28 HA GLU 4 HA GLU 4 7.032 12.070 -7.035 29 HB2 GLU 4 HB2 GLU 4 7.175 10.981 -9.314 30 HB3 GLU 4 HB1 GLU 4 5.417 11.001 -9.401 31 HG2 GLU 4 HG2 GLU 4 5.909 13.005 -10.484 32 HG3 GLU 4 HG1 GLU 4 5.755 13.577 -8.823 33 H ASP 5 HN ASP 5 5.864 13.582 -6.087 34 HA ASP 5 HA ASP 5 3.004 13.836 -6.674 35 HB2 ASP 5 HB2 ASP 5 3.100 12.136 -4.810 36 HB3 ASP 5 HB1 ASP 5 3.968 13.305 -3.817 37 H SER 6 HN SER 6 3.493 15.039 -3.663 38 HA SER 6 HA SER 6 4.738 17.570 -4.586 39 HB2 SER 6 HB2 SER 6 1.866 17.131 -3.841 40 HB3 SER 6 HB1 SER 6 2.632 18.576 -3.152 41 HG SER 6 HG SER 6 2.391 17.790 -5.853 42 H PHE 7 HN PHE 7 5.186 19.067 -2.742 43 HA PHE 7 HA PHE 7 4.915 18.338 -0.034 44 HB2 PHE 7 HB2 PHE 7 7.508 17.496 0.095 45 HB3 PHE 7 HB1 PHE 7 6.169 16.370 -0.085 46 HD1 PHE 7 HD2 PHE 7 7.425 18.722 -2.680 47 HD2 PHE 7 HD1 PHE 7 7.219 14.657 -1.410 48 HE1 PHE 7 HE2 PHE 7 8.356 17.992 -4.833 49 HE2 PHE 7 HE1 PHE 7 8.149 13.941 -3.570 50 HZ PHE 7 HZ PHE 7 8.715 15.609 -5.280 51 H GLU 8 HN GLU 8 7.148 19.037 1.213 52 HA GLU 8 HA GLU 8 7.481 21.840 0.338 53 HB2 GLU 8 HB2 GLU 8 6.989 20.975 2.772 54 HB3 GLU 8 HB1 GLU 8 8.702 20.568 2.816 55 HG2 GLU 8 HG2 GLU 8 8.784 22.748 3.621 56 HG3 GLU 8 HG1 GLU 8 8.961 23.051 1.894 57 H MET 9 HN MET 9 9.442 22.791 -0.102 58 HA MET 9 HA MET 9 11.936 21.277 0.079 59 HB2 MET 9 HB2 MET 9 10.442 20.812 -2.197 60 HB3 MET 9 HB1 MET 9 11.409 22.189 -2.718 61 HG2 MET 9 HG2 MET 9 12.491 19.658 -1.466 62 HG3 MET 9 HG1 MET 9 12.499 20.000 -3.175 63 HE1 MET 9 HE1 MET 9 16.156 19.886 -2.495 64 HE2 MET 9 HE2 MET 9 15.105 19.996 -3.907 65 HE3 MET 9 HE3 MET 9 14.687 18.912 -2.579 66 H GLU 10 HN GLU 10 13.618 22.634 0.241 67 HA GLU 10 HA GLU 10 13.059 25.505 0.213 68 HB2 GLU 10 HB2 GLU 10 15.703 24.031 0.638 69 HB3 GLU 10 HB1 GLU 10 15.347 25.689 1.110 70 HG2 GLU 10 HG2 GLU 10 13.743 24.966 2.753 71 HG3 GLU 10 HG1 GLU 10 13.764 23.316 2.137 72 H GLY 11 HN GLY 11 13.851 27.024 -1.175 73 HA2 GLY 11 HA2 GLY 11 15.702 26.186 -3.339 74 HA3 GLY 11 HA1 GLY 11 14.099 26.726 -3.844 75 H THR 12 HN THR 12 15.678 28.342 -4.926 76 HA THR 12 HA THR 12 16.085 30.646 -3.040 77 HB THR 12 HB THR 12 17.634 30.477 -5.647 78 HG1 THR 12 HG1 THR 12 18.734 29.202 -3.471 79 HG21 THR 12 HG21 THR 12 17.763 32.116 -3.403 80 HG22 THR 12 HG22 THR 12 19.157 31.793 -4.430 81 HG23 THR 12 HG23 THR 12 18.911 30.859 -2.957 82 H VAL 13 HN VAL 13 15.670 32.729 -3.869 83 HA VAL 13 HA VAL 13 13.627 32.653 -6.133 84 HB VAL 13 HB VAL 13 14.262 34.883 -4.116 85 HG11 VAL 13 HG11 VAL 13 13.250 35.780 -6.118 86 HG12 VAL 13 HG12 VAL 13 12.001 35.711 -4.875 87 HG13 VAL 13 HG13 VAL 13 12.039 34.501 -6.154 88 HG21 VAL 13 HG21 VAL 13 12.266 34.117 -2.931 89 HG22 VAL 13 HG22 VAL 13 13.313 32.722 -3.145 90 HG23 VAL 13 HG23 VAL 13 11.912 32.931 -4.183 91 H VAL 14 HN VAL 14 14.573 33.127 -8.160 92 HA VAL 14 HA VAL 14 15.791 35.786 -8.341 93 HB VAL 14 HB VAL 14 17.332 33.711 -9.788 94 HG11 VAL 14 HG11 VAL 14 18.029 36.042 -7.996 95 HG12 VAL 14 HG12 VAL 14 18.077 36.023 -9.756 96 HG13 VAL 14 HG13 VAL 14 19.228 35.061 -8.834 97 HG21 VAL 14 HG21 VAL 14 16.849 32.500 -7.694 98 HG22 VAL 14 HG22 VAL 14 17.504 33.856 -6.795 99 HG23 VAL 14 HG23 VAL 14 18.555 32.915 -7.836 100 H ASP 15 HN ASP 15 13.849 36.034 -9.387 101 HA ASP 15 HA ASP 15 13.936 36.255 -12.187 102 HB2 ASP 15 HB2 ASP 15 13.583 33.693 -11.923 103 HB3 ASP 15 HB1 ASP 15 11.986 34.104 -11.337 104 H THR 16 HN THR 16 12.278 37.576 -12.854 105 HA THR 16 HA THR 16 10.103 38.064 -10.840 106 HB THR 16 HB THR 16 10.258 40.513 -11.818 107 HG1 THR 16 HG1 THR 16 11.633 39.754 -13.526 108 HG21 THR 16 HG21 THR 16 12.295 41.024 -10.376 109 HG22 THR 16 HG22 THR 16 12.592 39.295 -10.237 110 HG23 THR 16 HG23 THR 16 11.143 39.999 -9.526 111 H LEU 17 HN LEU 17 8.430 37.104 -11.763 112 HA LEU 17 HA LEU 17 7.974 37.454 -14.619 113 HB2 LEU 17 HB2 LEU 17 6.780 35.798 -12.432 114 HB3 LEU 17 HB1 LEU 17 5.879 36.015 -13.928 115 HG LEU 17 HG LEU 17 7.429 34.030 -13.905 116 HD11 LEU 17 HD21 LEU 17 7.896 34.226 -16.174 117 HD12 LEU 17 HD22 LEU 17 8.417 35.897 -16.013 118 HD13 LEU 17 HD23 LEU 17 6.701 35.503 -15.979 119 HD21 LEU 17 HD11 LEU 17 9.784 34.325 -13.941 120 HD22 LEU 17 HD12 LEU 17 9.209 35.337 -12.619 121 HD23 LEU 17 HD13 LEU 17 9.621 36.063 -14.170 122 HA PRO 18 HA PRO 18 4.828 40.465 -13.859 123 HB2 PRO 18 HB2 PRO 18 3.217 40.076 -16.126 124 HB3 PRO 18 HB1 PRO 18 4.773 40.920 -16.151 125 HG2 PRO 18 HG2 PRO 18 4.119 38.301 -17.307 126 HG3 PRO 18 HG1 PRO 18 5.617 39.226 -17.478 127 HD2 PRO 18 HD1 PRO 18 5.068 36.940 -15.714 128 HD3 PRO 18 HD2 PRO 18 6.613 37.708 -16.088 129 H ASN 19 HN ASN 19 2.549 40.863 -13.538 130 HA ASN 19 HA ASN 19 0.367 40.295 -12.930 131 HB2 ASN 19 HB2 ASN 19 0.842 37.345 -13.399 132 HB3 ASN 19 HB1 ASN 19 -0.587 38.308 -13.759 133 HD21 ASN 19 HD21 ASN 19 1.418 36.522 -15.438 134 HD22 ASN 19 HD22 ASN 19 1.699 37.476 -16.814 135 H THR 20 HN THR 20 2.892 40.132 -11.381 136 HA THR 20 HA THR 20 3.415 39.801 -9.137 137 HB THR 20 HB THR 20 0.762 38.356 -8.670 138 HG1 THR 20 HG1 THR 20 0.649 41.063 -8.589 139 HG21 THR 20 HG21 THR 20 2.652 40.196 -7.179 140 HG22 THR 20 HG22 THR 20 1.660 38.893 -6.540 141 HG23 THR 20 HG23 THR 20 0.936 40.457 -6.898 142 H MET 21 HN MET 21 4.741 38.146 -10.561 143 HA MET 21 HA MET 21 4.528 35.587 -9.030 144 HB2 MET 21 HB2 MET 21 4.623 35.737 -12.102 145 HB3 MET 21 HB1 MET 21 4.717 34.256 -11.160 146 HG2 MET 21 HG2 MET 21 2.399 36.201 -11.173 147 HG3 MET 21 HG1 MET 21 2.440 34.688 -12.035 148 HE1 MET 21 HE1 MET 21 -0.341 33.952 -9.825 149 HE2 MET 21 HE2 MET 21 0.548 32.898 -10.926 150 HE3 MET 21 HE3 MET 21 0.274 34.587 -11.351 151 H PHE 22 HN PHE 22 6.452 34.269 -9.258 152 HA PHE 22 HA PHE 22 8.831 35.597 -10.421 153 HB2 PHE 22 HB2 PHE 22 8.904 34.632 -7.529 154 HB3 PHE 22 HB1 PHE 22 9.994 35.758 -8.333 155 HD1 PHE 22 HD1 PHE 22 6.525 35.379 -7.026 156 HD2 PHE 22 HD2 PHE 22 9.515 38.099 -8.378 157 HE1 PHE 22 HE1 PHE 22 5.161 37.272 -6.254 158 HE2 PHE 22 HE2 PHE 22 8.146 39.981 -7.602 159 HZ PHE 22 HZ PHE 22 5.971 39.571 -6.540 160 H ARG 23 HN ARG 23 10.775 34.079 -10.204 161 HA ARG 23 HA ARG 23 9.767 31.229 -10.334 162 HB2 ARG 23 HB2 ARG 23 10.935 32.488 -12.414 163 HB3 ARG 23 HB1 ARG 23 12.391 32.049 -11.546 164 HG2 ARG 23 HG2 ARG 23 12.069 30.232 -12.984 165 HG3 ARG 23 HG1 ARG 23 11.479 29.681 -11.439 166 HD2 ARG 23 HD2 ARG 23 9.712 29.051 -12.846 167 HD3 ARG 23 HD1 ARG 23 9.162 30.634 -12.312 168 HE ARG 23 HE ARG 23 9.409 31.379 -14.526 169 HH11 ARG 23 HH11 ARG 23 12.308 30.972 -14.748 170 HH12 ARG 23 HH12 ARG 23 12.451 29.779 -15.996 171 HH21 ARG 23 HH21 ARG 23 9.090 28.822 -15.747 172 HH22 ARG 23 HH22 ARG 23 10.583 28.530 -16.576 173 H VAL 24 HN VAL 24 10.644 29.743 -9.032 174 HA VAL 24 HA VAL 24 12.850 30.690 -7.290 175 HB VAL 24 HB VAL 24 11.842 28.264 -6.344 176 HG11 VAL 24 HG21 VAL 24 10.932 31.061 -5.636 177 HG12 VAL 24 HG22 VAL 24 12.378 30.281 -5.004 178 HG13 VAL 24 HG23 VAL 24 10.786 29.651 -4.593 179 HG21 VAL 24 HG11 VAL 24 9.426 28.538 -6.355 180 HG22 VAL 24 HG12 VAL 24 10.063 28.354 -7.981 181 HG23 VAL 24 HG13 VAL 24 9.603 29.946 -7.392 182 H GLU 25 HN GLU 25 14.673 29.684 -7.493 183 HA GLU 25 HA GLU 25 14.848 27.575 -9.591 184 HB2 GLU 25 HB2 GLU 25 16.901 29.366 -8.181 185 HB3 GLU 25 HB1 GLU 25 17.379 28.031 -9.221 186 HG2 GLU 25 HG2 GLU 25 15.893 29.029 -11.021 187 HG3 GLU 25 HG1 GLU 25 15.708 30.444 -9.985 188 H LEU 26 HN LEU 26 14.832 25.707 -9.054 189 HA LEU 26 HA LEU 26 15.899 24.715 -6.486 190 HB2 LEU 26 HB2 LEU 26 13.770 23.589 -8.406 191 HB3 LEU 26 HB1 LEU 26 14.371 22.728 -7.000 192 HG LEU 26 HG LEU 26 13.495 25.511 -6.492 193 HD11 LEU 26 HD21 LEU 26 11.073 24.314 -6.310 194 HD12 LEU 26 HD22 LEU 26 11.708 23.480 -7.722 195 HD13 LEU 26 HD23 LEU 26 11.584 25.238 -7.716 196 HD21 LEU 26 HD11 LEU 26 12.609 24.477 -4.470 197 HD22 LEU 26 HD12 LEU 26 14.226 23.842 -4.757 198 HD23 LEU 26 HD13 LEU 26 12.814 22.869 -5.158 199 H GLU 27 HN GLU 27 17.286 25.659 -8.662 200 HA GLU 27 HA GLU 27 18.121 24.192 -10.778 201 HB2 GLU 27 HB2 GLU 27 20.483 25.043 -10.205 202 HB3 GLU 27 HB1 GLU 27 19.226 26.273 -10.266 203 HG2 GLU 27 HG2 GLU 27 19.062 26.366 -7.882 204 HG3 GLU 27 HG1 GLU 27 19.983 24.876 -7.688 205 H ASN 28 HN ASN 28 18.052 22.964 -7.709 206 HA ASN 28 HA ASN 28 20.378 21.277 -7.924 207 HB2 ASN 28 HB2 ASN 28 19.233 19.977 -6.093 208 HB3 ASN 28 HB1 ASN 28 19.126 21.699 -5.734 209 HD21 ASN 28 HD21 ASN 28 17.227 19.422 -7.807 210 HD22 ASN 28 HD22 ASN 28 15.715 19.906 -7.204 211 H GLY 29 HN GLY 29 18.494 21.707 -10.151 212 HA2 GLY 29 HA2 GLY 29 18.381 20.088 -11.986 213 HA3 GLY 29 HA1 GLY 29 17.767 18.928 -10.810 214 H HIS 30 HN HIS 30 16.256 21.654 -9.760 215 HA HIS 30 HA HIS 30 14.001 21.372 -11.733 216 HB2 HIS 30 HB2 HIS 30 14.038 21.204 -8.735 217 HB3 HIS 30 HB1 HIS 30 12.619 21.914 -9.500 218 HD1 HIS 30 HD1 HIS 30 11.534 20.307 -11.299 219 HD2 HIS 30 HD2 HIS 30 14.192 18.457 -8.859 220 HE1 HIS 30 HE1 HIS 30 11.084 17.944 -11.582 221 H VAL 31 HN VAL 31 12.660 23.110 -12.088 222 HA VAL 31 HA VAL 31 13.493 25.818 -10.993 223 HB VAL 31 HB VAL 31 14.165 25.130 -13.514 224 HG11 VAL 31 HG21 VAL 31 12.410 25.476 -15.162 225 HG12 VAL 31 HG22 VAL 31 11.252 25.893 -13.905 226 HG13 VAL 31 HG23 VAL 31 11.863 24.245 -14.028 227 HG21 VAL 31 HG11 VAL 31 13.866 27.447 -14.212 228 HG22 VAL 31 HG12 VAL 31 14.240 27.433 -12.493 229 HG23 VAL 31 HG13 VAL 31 12.582 27.677 -13.031 230 H VAL 32 HN VAL 32 11.567 27.035 -10.375 231 HA VAL 32 HA VAL 32 8.980 26.054 -11.440 232 HB VAL 32 HB VAL 32 9.509 26.270 -8.537 233 HG11 VAL 32 HG21 VAL 32 7.252 26.668 -8.802 234 HG12 VAL 32 HG22 VAL 32 7.307 24.927 -8.563 235 HG13 VAL 32 HG23 VAL 32 7.152 25.586 -10.184 236 HG21 VAL 32 HG11 VAL 32 9.224 23.817 -10.259 237 HG22 VAL 32 HG12 VAL 32 9.348 23.797 -8.505 238 HG23 VAL 32 HG13 VAL 32 10.710 24.332 -9.477 239 H THR 33 HN THR 33 7.185 27.231 -10.599 240 HA THR 33 HA THR 33 7.852 30.122 -10.468 241 HB THR 33 HB THR 33 5.331 28.706 -11.450 242 HG1 THR 33 HG1 THR 33 6.161 29.444 -13.432 243 HG21 THR 33 HG21 THR 33 6.171 31.623 -11.177 244 HG22 THR 33 HG22 THR 33 4.602 30.917 -10.797 245 HG23 THR 33 HG23 THR 33 5.082 31.144 -12.476 246 H ALA 34 HN ALA 34 7.234 31.241 -8.726 247 HA ALA 34 HA ALA 34 5.247 29.941 -6.920 248 HB1 ALA 34 HB1 ALA 34 6.717 30.900 -5.023 249 HB2 ALA 34 HB2 ALA 34 7.961 31.142 -6.245 250 HB3 ALA 34 HB3 ALA 34 7.388 29.517 -5.882 251 H HIS 35 HN HIS 35 4.670 31.547 -5.142 252 HA HIS 35 HA HIS 35 4.554 34.331 -6.194 253 HB2 HIS 35 HB2 HIS 35 2.434 33.596 -6.992 254 HB3 HIS 35 HB1 HIS 35 2.234 32.419 -5.698 255 HD1 HIS 35 HD1 HIS 35 1.537 33.461 -3.436 256 HD2 HIS 35 HD2 HIS 35 1.487 36.160 -6.459 257 HE1 HIS 35 HE1 HIS 35 0.303 35.346 -2.552 258 H ILE 36 HN ILE 36 4.589 35.804 -4.549 259 HA ILE 36 HA ILE 36 4.831 34.682 -1.801 260 HB ILE 36 HB ILE 36 6.651 36.154 -2.709 261 HG12 ILE 36 HG12 ILE 36 5.029 37.452 -0.490 262 HG13 ILE 36 HG11 ILE 36 6.173 36.130 -0.277 263 HG21 ILE 36 HG21 ILE 36 4.824 38.541 -2.484 264 HG22 ILE 36 HG22 ILE 36 4.650 37.546 -3.926 265 HG23 ILE 36 HG23 ILE 36 6.199 38.296 -3.555 266 HD11 ILE 36 HD11 ILE 36 6.704 39.006 -0.950 267 HD12 ILE 36 HD12 ILE 36 7.815 37.782 -1.555 268 HD13 ILE 36 HD13 ILE 36 7.552 37.952 0.176 269 H SER 37 HN SER 37 3.620 35.468 -0.088 270 HA SER 37 HA SER 37 0.926 36.161 -0.589 271 HB2 SER 37 HB2 SER 37 0.992 36.859 1.915 272 HB3 SER 37 HB1 SER 37 1.586 35.221 1.584 273 HG SER 37 HG SER 37 3.479 37.139 1.180 274 H GLY 38 HN GLY 38 -0.163 38.162 0.221 275 HA2 GLY 38 HA2 GLY 38 1.072 40.484 -1.055 276 HA3 GLY 38 HA1 GLY 38 -0.530 40.438 -0.323 277 H LYS 39 HN LYS 39 1.210 39.130 2.006 278 HA LYS 39 HA LYS 39 1.077 41.219 3.832 279 HB2 LYS 39 HB2 LYS 39 3.139 38.974 3.600 280 HB3 LYS 39 HB1 LYS 39 2.998 40.006 5.019 281 HG2 LYS 39 HG2 LYS 39 0.769 39.241 5.467 282 HG3 LYS 39 HG1 LYS 39 0.648 38.462 3.894 283 HD2 LYS 39 HD2 LYS 39 1.111 36.674 5.383 284 HD3 LYS 39 HD1 LYS 39 2.671 37.035 4.657 285 HE2 LYS 39 HE2 LYS 39 2.972 36.831 7.065 286 HE3 LYS 39 HE1 LYS 39 3.179 38.521 6.622 287 HZ1 LYS 39 HZ1 LYS 39 0.925 37.230 8.002 288 HZ2 LYS 39 HZ2 LYS 39 0.679 38.675 7.140 289 HZ3 LYS 39 HZ3 LYS 39 1.787 38.631 8.428 290 H MET 40 HN MET 40 3.971 40.319 1.958 291 HA MET 40 HA MET 40 5.588 42.468 2.840 292 HB2 MET 40 HB2 MET 40 5.586 41.146 0.084 293 HB3 MET 40 HB1 MET 40 6.941 41.990 0.827 294 HG2 MET 40 HG2 MET 40 6.082 39.258 1.173 295 HG3 MET 40 HG1 MET 40 7.566 40.017 1.680 296 HE1 MET 40 HE1 MET 40 7.264 40.826 5.270 297 HE2 MET 40 HE2 MET 40 7.453 41.769 3.791 298 HE3 MET 40 HE3 MET 40 8.314 40.241 3.980 299 H ARG 41 HN ARG 41 3.587 42.250 -0.098 300 HA ARG 41 HA ARG 41 4.103 44.739 -1.218 301 HB2 ARG 41 HB2 ARG 41 1.387 43.364 -0.883 302 HB3 ARG 41 HB1 ARG 41 1.698 44.678 -2.013 303 HG2 ARG 41 HG2 ARG 41 3.463 42.247 -2.067 304 HG3 ARG 41 HG1 ARG 41 1.879 42.174 -2.831 305 HD2 ARG 41 HD2 ARG 41 3.494 44.599 -3.433 306 HD3 ARG 41 HD1 ARG 41 4.095 43.087 -4.113 307 HE ARG 41 HE ARG 41 1.660 42.847 -5.009 308 HH11 ARG 41 HH11 ARG 41 3.705 45.564 -4.862 309 HH12 ARG 41 HH12 ARG 41 2.686 46.587 -5.821 310 HH21 ARG 41 HH21 ARG 41 0.134 44.193 -6.026 311 HH22 ARG 41 HH22 ARG 41 0.613 45.789 -6.498 312 H LYS 42 HN LYS 42 2.149 44.010 1.597 313 HA LYS 42 HA LYS 42 1.138 46.684 1.889 314 HB2 LYS 42 HB2 LYS 42 0.303 44.333 2.842 315 HB3 LYS 42 HB1 LYS 42 1.388 44.722 4.172 316 HG2 LYS 42 HG2 LYS 42 0.203 47.044 4.129 317 HG3 LYS 42 HG1 LYS 42 -1.051 46.202 3.231 318 HD2 LYS 42 HD2 LYS 42 0.007 45.072 5.825 319 HD3 LYS 42 HD1 LYS 42 -1.258 46.293 5.831 320 HE2 LYS 42 HE2 LYS 42 -1.426 43.731 4.217 321 HE3 LYS 42 HE1 LYS 42 -2.102 43.900 5.832 322 HZ1 LYS 42 HZ1 LYS 42 -2.853 45.417 3.403 323 HZ2 LYS 42 HZ2 LYS 42 -3.383 45.827 4.963 324 HZ3 LYS 42 HZ3 LYS 42 -3.815 44.331 4.286 325 H ASN 43 HN ASN 43 3.951 44.928 3.016 326 HA ASN 43 HA ASN 43 4.655 47.169 4.835 327 HB2 ASN 43 HB2 ASN 43 5.892 44.429 4.315 328 HB3 ASN 43 HB1 ASN 43 6.618 45.613 5.399 329 HD21 ASN 43 HD21 ASN 43 5.676 45.898 7.469 330 HD22 ASN 43 HD22 ASN 43 4.342 45.005 8.017 331 H TYR 44 HN TYR 44 4.790 47.040 1.739 332 HA TYR 44 HA TYR 44 6.299 47.707 0.061 333 HB2 TYR 44 HB2 TYR 44 7.542 49.528 2.133 334 HB3 TYR 44 HB1 TYR 44 7.043 49.908 0.486 335 HD1 TYR 44 HD1 TYR 44 4.582 50.138 -0.033 336 HD2 TYR 44 HD2 TYR 44 5.992 49.745 3.962 337 HE1 TYR 44 HE1 TYR 44 2.441 50.989 0.805 338 HE2 TYR 44 HE2 TYR 44 3.848 50.596 4.800 339 HH TYR 44 HH TYR 44 1.954 52.180 3.741 340 H ILE 45 HN ILE 45 8.884 48.850 0.445 341 HA ILE 45 HA ILE 45 11.040 47.936 0.077 342 HB ILE 45 HB ILE 45 10.196 47.733 2.964 343 HG12 ILE 45 HG12 ILE 45 12.445 49.340 1.766 344 HG13 ILE 45 HG11 ILE 45 10.775 49.875 1.614 345 HG21 ILE 45 HG21 ILE 45 12.944 47.520 3.116 346 HG22 ILE 45 HG22 ILE 45 12.645 46.541 1.687 347 HG23 ILE 45 HG23 ILE 45 11.882 46.123 3.220 348 HD11 ILE 45 HD11 ILE 45 11.897 50.841 3.630 349 HD12 ILE 45 HD12 ILE 45 12.145 49.213 4.246 350 HD13 ILE 45 HD13 ILE 45 10.511 49.842 4.058 351 H ARG 46 HN ARG 46 10.770 46.171 -1.286 352 HA ARG 46 HA ARG 46 10.056 43.548 -0.227 353 HB2 ARG 46 HB2 ARG 46 11.430 44.049 -2.889 354 HB3 ARG 46 HB1 ARG 46 10.224 42.829 -2.496 355 HG2 ARG 46 HG2 ARG 46 8.837 45.116 -1.936 356 HG3 ARG 46 HG1 ARG 46 9.858 45.668 -3.258 357 HD2 ARG 46 HD2 ARG 46 8.169 43.147 -3.356 358 HD3 ARG 46 HD1 ARG 46 7.679 44.694 -4.044 359 HE ARG 46 HE ARG 46 10.276 43.940 -5.033 360 HH11 ARG 46 HH11 ARG 46 8.246 45.110 -6.771 361 HH12 ARG 46 HH12 ARG 46 7.710 43.773 -7.733 362 HH21 ARG 46 HH21 ARG 46 9.053 41.395 -5.537 363 HH22 ARG 46 HH22 ARG 46 8.178 41.614 -7.015 364 H ILE 47 HN ILE 47 11.550 41.669 -0.754 365 HA ILE 47 HA ILE 47 14.152 42.246 0.507 366 HB ILE 47 HB ILE 47 13.015 39.576 -0.434 367 HG12 ILE 47 HG12 ILE 47 11.379 40.471 1.059 368 HG13 ILE 47 HG11 ILE 47 12.349 39.363 2.022 369 HG21 ILE 47 HG21 ILE 47 15.378 40.518 1.134 370 HG22 ILE 47 HG22 ILE 47 15.178 39.029 0.217 371 HG23 ILE 47 HG23 ILE 47 14.523 39.155 1.846 372 HD11 ILE 47 HD11 ILE 47 12.163 41.350 3.342 373 HD12 ILE 47 HD12 ILE 47 12.492 42.388 1.959 374 HD13 ILE 47 HD13 ILE 47 13.780 41.407 2.648 375 H LEU 48 HN LEU 48 16.151 41.722 -0.396 376 HA LEU 48 HA LEU 48 16.489 42.290 -3.149 377 HB2 LEU 48 HB2 LEU 48 18.273 40.745 -1.200 378 HB3 LEU 48 HB1 LEU 48 18.808 41.285 -2.786 379 HG LEU 48 HG LEU 48 17.650 43.186 -0.729 380 HD11 LEU 48 HD11 LEU 48 20.078 43.816 -0.344 381 HD12 LEU 48 HD12 LEU 48 20.529 42.360 -1.226 382 HD13 LEU 48 HD13 LEU 48 19.633 42.234 0.286 383 HD21 LEU 48 HD21 LEU 48 17.615 44.295 -2.778 384 HD22 LEU 48 HD22 LEU 48 18.988 43.390 -3.406 385 HD23 LEU 48 HD23 LEU 48 19.246 44.684 -2.242 386 H THR 49 HN THR 49 17.659 40.720 -4.671 387 HA THR 49 HA THR 49 15.840 38.461 -5.154 388 HB THR 49 HB THR 49 17.208 40.012 -6.889 389 HG1 THR 49 HG1 THR 49 15.941 38.380 -7.606 390 HG21 THR 49 HG21 THR 49 19.075 37.603 -6.556 391 HG22 THR 49 HG22 THR 49 19.473 39.167 -5.851 392 HG23 THR 49 HG23 THR 49 19.322 39.001 -7.596 393 H GLY 50 HN GLY 50 16.294 36.445 -5.238 394 HA2 GLY 50 HA2 GLY 50 17.254 34.387 -4.737 395 HA3 GLY 50 HA1 GLY 50 18.770 35.213 -4.429 396 H ASP 51 HN ASP 51 15.642 34.518 -3.218 397 HA ASP 51 HA ASP 51 16.593 34.961 -0.440 398 HB2 ASP 51 HB2 ASP 51 14.412 36.086 -1.394 399 HB3 ASP 51 HB1 ASP 51 13.720 34.471 -1.311 400 H LYS 52 HN LYS 52 17.024 33.081 0.667 401 HA LYS 52 HA LYS 52 16.328 30.648 -0.811 402 HB2 LYS 52 HB2 LYS 52 18.114 31.326 1.367 403 HB3 LYS 52 HB1 LYS 52 16.960 30.177 2.042 404 HG2 LYS 52 HG2 LYS 52 17.398 28.742 -0.042 405 HG3 LYS 52 HG1 LYS 52 18.761 29.804 -0.366 406 HD2 LYS 52 HD2 LYS 52 19.624 27.936 0.887 407 HD3 LYS 52 HD1 LYS 52 19.576 29.304 1.993 408 HE2 LYS 52 HE2 LYS 52 17.886 28.395 3.252 409 HE3 LYS 52 HE1 LYS 52 17.100 27.670 1.857 410 HZ1 LYS 52 HZ1 LYS 52 19.280 26.625 3.511 411 HZ2 LYS 52 HZ2 LYS 52 19.199 26.162 1.878 412 HZ3 LYS 52 HZ3 LYS 52 17.896 25.838 2.917 413 H VAL 53 HN VAL 53 14.260 30.022 -0.824 414 HA VAL 53 HA VAL 53 12.631 30.531 1.631 415 HB VAL 53 HB VAL 53 10.697 30.788 0.052 416 HG11 VAL 53 HG21 VAL 53 12.275 32.813 -1.163 417 HG12 VAL 53 HG22 VAL 53 12.947 32.561 0.445 418 HG13 VAL 53 HG23 VAL 53 11.247 32.972 0.257 419 HG21 VAL 53 HG11 VAL 53 12.958 30.408 -1.937 420 HG22 VAL 53 HG12 VAL 53 11.432 31.162 -2.382 421 HG23 VAL 53 HG13 VAL 53 11.460 29.496 -1.827 422 H ARG 54 HN ARG 54 10.700 29.264 1.936 423 HA ARG 54 HA ARG 54 11.342 26.412 1.218 424 HB2 ARG 54 HB2 ARG 54 10.852 27.342 3.654 425 HB3 ARG 54 HB1 ARG 54 9.171 27.337 3.135 426 HG2 ARG 54 HG2 ARG 54 9.155 25.002 2.836 427 HG3 ARG 54 HG1 ARG 54 10.904 24.897 2.774 428 HD2 ARG 54 HD2 ARG 54 9.213 25.554 5.214 429 HD3 ARG 54 HD1 ARG 54 10.151 24.085 4.953 430 HE ARG 54 HE ARG 54 11.905 26.330 4.750 431 HH11 ARG 54 HH21 ARG 54 10.422 27.280 7.083 432 HH12 ARG 54 HH22 ARG 54 11.201 26.486 8.412 433 HH21 ARG 54 HH11 ARG 54 12.744 24.108 6.347 434 HH22 ARG 54 HH12 ARG 54 12.550 24.643 7.983 435 H VAL 55 HN VAL 55 10.428 25.968 -0.688 436 HA VAL 55 HA VAL 55 7.745 27.043 -1.246 437 HB VAL 55 HB VAL 55 9.446 25.502 -3.201 438 HG11 VAL 55 HG11 VAL 55 7.014 26.348 -3.597 439 HG12 VAL 55 HG12 VAL 55 8.218 26.706 -4.832 440 HG13 VAL 55 HG13 VAL 55 7.741 27.951 -3.680 441 HG21 VAL 55 HG21 VAL 55 10.563 27.614 -3.805 442 HG22 VAL 55 HG22 VAL 55 10.899 27.213 -2.123 443 HG23 VAL 55 HG23 VAL 55 9.704 28.446 -2.515 444 H GLU 56 HN GLU 56 6.104 25.811 -2.054 445 HA GLU 56 HA GLU 56 6.268 22.889 -1.427 446 HB2 GLU 56 HB2 GLU 56 4.755 23.894 0.189 447 HB3 GLU 56 HB1 GLU 56 4.070 24.980 -1.012 448 HG2 GLU 56 HG2 GLU 56 2.502 23.129 -0.518 449 HG3 GLU 56 HG1 GLU 56 3.053 23.032 -2.187 450 H LEU 57 HN LEU 57 6.037 21.712 -3.191 451 HA LEU 57 HA LEU 57 4.936 23.024 -5.607 452 HB2 LEU 57 HB2 LEU 57 6.186 20.245 -5.297 453 HB3 LEU 57 HB1 LEU 57 5.951 21.129 -6.797 454 HG LEU 57 HG LEU 57 7.648 22.188 -4.523 455 HD11 LEU 57 HD11 LEU 57 8.897 21.114 -7.009 456 HD12 LEU 57 HD12 LEU 57 8.305 19.930 -5.850 457 HD13 LEU 57 HD13 LEU 57 9.511 21.114 -5.358 458 HD21 LEU 57 HD21 LEU 57 8.590 23.564 -6.428 459 HD22 LEU 57 HD22 LEU 57 6.902 23.907 -6.061 460 HD23 LEU 57 HD23 LEU 57 7.315 22.910 -7.453 461 H THR 58 HN THR 58 3.102 22.340 -6.619 462 HA THR 58 HA THR 58 1.376 20.563 -4.983 463 HB THR 58 HB THR 58 -0.488 21.612 -6.241 464 HG1 THR 58 HG1 THR 58 1.700 22.051 -7.901 465 HG21 THR 58 HG21 THR 58 1.551 23.172 -4.870 466 HG22 THR 58 HG22 THR 58 -0.138 23.619 -5.105 467 HG23 THR 58 HG23 THR 58 1.070 24.079 -6.302 468 HA PRO 59 HA PRO 59 1.589 17.150 -7.721 469 HB2 PRO 59 HB2 PRO 59 -1.193 16.432 -7.542 470 HB3 PRO 59 HB1 PRO 59 0.135 15.760 -6.593 471 HG2 PRO 59 HG2 PRO 59 -1.953 17.623 -5.730 472 HG3 PRO 59 HG1 PRO 59 -0.743 16.801 -4.743 473 HD2 PRO 59 HD1 PRO 59 -0.776 19.571 -5.470 474 HD3 PRO 59 HD2 PRO 59 0.503 18.699 -4.611 475 H TYR 60 HN TYR 60 -0.880 19.577 -8.150 476 HA TYR 60 HA TYR 60 -1.947 18.702 -10.634 477 HB2 TYR 60 HB2 TYR 60 -1.504 21.497 -9.472 478 HB3 TYR 60 HB1 TYR 60 -2.392 21.215 -10.969 479 HD1 TYR 60 HD2 TYR 60 -4.218 19.245 -10.754 480 HD2 TYR 60 HD1 TYR 60 -2.769 21.579 -7.508 481 HE1 TYR 60 HE2 TYR 60 -6.213 18.669 -9.453 482 HE2 TYR 60 HE1 TYR 60 -4.763 21.002 -6.205 483 HH TYR 60 HH TYR 60 -6.898 20.184 -6.374 484 H ASP 61 HN ASP 61 1.025 20.252 -9.785 485 HA ASP 61 HA ASP 61 2.478 19.506 -12.033 486 HB2 ASP 61 HB2 ASP 61 0.592 21.693 -12.616 487 HB3 ASP 61 HB1 ASP 61 2.247 22.203 -12.903 488 H LEU 62 HN LEU 62 4.112 19.454 -10.505 489 HA LEU 62 HA LEU 62 4.855 21.354 -8.660 490 HB2 LEU 62 HB2 LEU 62 6.795 19.833 -10.476 491 HB3 LEU 62 HB1 LEU 62 7.155 20.469 -8.875 492 HG LEU 62 HG LEU 62 5.121 19.035 -8.096 493 HD11 LEU 62 HD11 LEU 62 5.500 16.906 -9.876 494 HD12 LEU 62 HD12 LEU 62 5.315 18.320 -10.902 495 HD13 LEU 62 HD13 LEU 62 4.064 17.913 -9.735 496 HD21 LEU 62 HD21 LEU 62 7.629 18.631 -7.689 497 HD22 LEU 62 HD22 LEU 62 7.549 17.487 -9.026 498 HD23 LEU 62 HD23 LEU 62 6.583 17.219 -7.577 499 H SER 63 HN SER 63 4.842 21.719 -12.055 500 HA SER 63 HA SER 63 6.926 23.606 -12.412 501 HB2 SER 63 HB2 SER 63 5.038 22.535 -14.090 502 HB3 SER 63 HB1 SER 63 4.312 24.134 -13.822 503 HG SER 63 HG SER 63 6.648 23.443 -15.102 504 H LYS 64 HN LYS 64 4.251 23.712 -10.440 505 HA LYS 64 HA LYS 64 4.576 26.661 -10.071 506 HB2 LYS 64 HB2 LYS 64 1.881 25.203 -9.899 507 HB3 LYS 64 HB1 LYS 64 2.153 26.941 -9.889 508 HG2 LYS 64 HG2 LYS 64 3.051 25.314 -12.255 509 HG3 LYS 64 HG1 LYS 64 1.363 25.774 -12.106 510 HD2 LYS 64 HD2 LYS 64 3.227 27.979 -11.548 511 HD3 LYS 64 HD1 LYS 64 3.340 27.365 -13.194 512 HE2 LYS 64 HE2 LYS 64 1.579 29.222 -12.689 513 HE3 LYS 64 HE1 LYS 64 1.079 27.844 -13.661 514 HZ1 LYS 64 HZ1 LYS 64 0.047 26.850 -11.798 515 HZ2 LYS 64 HZ2 LYS 64 -0.472 28.467 -11.843 516 HZ3 LYS 64 HZ3 LYS 64 0.712 27.985 -10.725 517 H GLY 65 HN GLY 65 4.278 27.373 -7.986 518 HA2 GLY 65 HA2 GLY 65 3.435 25.593 -5.847 519 HA3 GLY 65 HA1 GLY 65 5.182 25.838 -5.873 520 H ARG 66 HN ARG 66 4.451 26.753 -3.698 521 HA ARG 66 HA ARG 66 4.106 29.719 -4.114 522 HB2 ARG 66 HB2 ARG 66 2.794 29.506 -1.792 523 HB3 ARG 66 HB1 ARG 66 1.939 29.165 -3.293 524 HG2 ARG 66 HG2 ARG 66 2.503 26.738 -3.002 525 HG3 ARG 66 HG1 ARG 66 3.228 27.126 -1.446 526 HD2 ARG 66 HD2 ARG 66 0.750 26.335 -1.466 527 HD3 ARG 66 HD1 ARG 66 1.147 27.758 -0.504 528 HE ARG 66 HE ARG 66 0.237 28.226 -3.287 529 HH11 ARG 66 HH11 ARG 66 -0.973 27.434 -0.259 530 HH12 ARG 66 HH12 ARG 66 -2.075 28.765 -0.145 531 HH21 ARG 66 HH21 ARG 66 -0.852 30.285 -3.057 532 HH22 ARG 66 HH22 ARG 66 -2.003 30.424 -1.769 533 H ILE 67 HN ILE 67 4.991 31.032 -2.332 534 HA ILE 67 HA ILE 67 7.239 29.546 -0.990 535 HB ILE 67 HB ILE 67 6.780 32.423 -1.810 536 HG12 ILE 67 HG12 ILE 67 9.284 30.810 -2.169 537 HG13 ILE 67 HG11 ILE 67 7.905 30.503 -3.215 538 HG21 ILE 67 HG21 ILE 67 9.196 32.599 -0.640 539 HG22 ILE 67 HG22 ILE 67 8.565 31.291 0.351 540 HG23 ILE 67 HG23 ILE 67 7.734 32.844 0.310 541 HD11 ILE 67 HD11 ILE 67 8.888 33.319 -2.757 542 HD12 ILE 67 HD12 ILE 67 7.937 32.693 -4.100 543 HD13 ILE 67 HD13 ILE 67 9.645 32.292 -3.970 544 H THR 68 HN THR 68 7.571 29.677 1.249 545 HA THR 68 HA THR 68 6.038 31.418 2.865 546 HB THR 68 HB THR 68 4.127 29.982 2.615 547 HG1 THR 68 HG1 THR 68 4.652 28.388 4.511 548 HG21 THR 68 HG21 THR 68 4.827 27.351 3.033 549 HG22 THR 68 HG22 THR 68 6.286 27.909 2.221 550 HG23 THR 68 HG23 THR 68 4.726 28.033 1.414 551 H TYR 69 HN TYR 69 8.152 31.674 3.396 552 HA TYR 69 HA TYR 69 9.235 31.551 5.726 553 HB2 TYR 69 HB2 TYR 69 8.544 29.168 6.135 554 HB3 TYR 69 HB1 TYR 69 9.583 28.643 4.817 555 HD1 TYR 69 HD1 TYR 69 9.500 29.973 8.230 556 HD2 TYR 69 HD2 TYR 69 12.025 28.696 5.056 557 HE1 TYR 69 HE1 TYR 69 11.402 29.896 9.776 558 HE2 TYR 69 HE2 TYR 69 13.927 28.616 6.602 559 HH TYR 69 HH TYR 69 13.623 29.696 9.954 560 H ARG 70 HN ARG 70 11.174 32.458 5.553 561 HA ARG 70 HA ARG 70 12.942 31.529 3.406 562 HB2 ARG 70 HB2 ARG 70 13.420 34.112 3.073 563 HB3 ARG 70 HB1 ARG 70 12.043 33.368 2.269 564 HG2 ARG 70 HG2 ARG 70 10.565 34.069 4.100 565 HG3 ARG 70 HG1 ARG 70 11.934 34.761 4.961 566 HD2 ARG 70 HD2 ARG 70 12.205 36.500 3.385 567 HD3 ARG 70 HD1 ARG 70 11.308 35.632 2.141 568 HE ARG 70 HE ARG 70 9.407 36.734 2.972 569 HH11 ARG 70 HH11 ARG 70 11.904 37.044 5.213 570 HH12 ARG 70 HH12 ARG 70 10.883 37.324 6.584 571 HH21 ARG 70 HH21 ARG 70 7.947 36.688 4.780 572 HH22 ARG 70 HH22 ARG 70 8.585 37.120 6.332 573 H ALA 71 HN ALA 71 15.092 32.110 3.520 574 HA ALA 71 HA ALA 71 16.016 33.141 6.122 575 HB1 ALA 71 HB1 ALA 71 17.712 31.253 6.167 576 HB2 ALA 71 HB2 ALA 71 16.907 30.544 4.772 577 HB3 ALA 71 HB3 ALA 71 16.058 30.670 6.310 578 H ARG 72 HN ARG 72 18.097 34.041 6.063 579 HA ARG 72 HA ARG 72 19.831 35.260 5.088 580 HB2 ARG 72 HB2 ARG 72 19.847 32.686 3.944 581 HB3 ARG 72 HB1 ARG 72 19.904 33.762 2.552 582 HG2 ARG 72 HG2 ARG 72 21.731 34.002 4.963 583 HG3 ARG 72 HG1 ARG 72 22.179 33.197 3.463 584 HD2 ARG 72 HD2 ARG 72 21.309 35.518 2.422 585 HD3 ARG 72 HD1 ARG 72 21.800 36.109 4.010 586 HE ARG 72 HE ARG 72 24.031 35.824 3.325 587 HH11 ARG 72 HH11 ARG 72 22.809 35.732 0.510 588 HH12 ARG 72 HH12 ARG 72 23.598 34.335 -0.143 589 HH21 ARG 72 HH21 ARG 72 24.656 33.216 3.005 590 HH22 ARG 72 HH22 ARG 72 24.673 32.874 1.307 Start of MODEL 11 1 HA MET 1 HA MET 1 -4.705 15.439 8.246 2 HB2 MET 1 HB2 MET 1 -2.127 15.333 9.894 3 HB3 MET 1 HB1 MET 1 -3.729 15.727 10.505 4 HG2 MET 1 HG2 MET 1 -3.243 13.414 11.015 5 HG3 MET 1 HG1 MET 1 -4.525 13.492 9.836 6 HE1 MET 1 HE1 MET 1 -4.012 11.194 10.360 7 HE2 MET 1 HE2 MET 1 -2.363 10.570 10.370 8 HE3 MET 1 HE3 MET 1 -3.423 10.241 8.999 9 H SER 2 HN SER 2 -1.682 16.470 7.044 10 HA SER 2 HA SER 2 -2.645 19.258 7.098 11 HB2 SER 2 HB2 SER 2 -1.357 19.197 9.189 12 HB3 SER 2 HB1 SER 2 -0.018 18.345 8.397 13 HG SER 2 HG SER 2 0.656 20.289 7.946 14 H LYS 3 HN LYS 3 0.728 18.699 6.752 15 HA LYS 3 HA LYS 3 0.570 19.494 3.939 16 HB2 LYS 3 HB2 LYS 3 3.202 18.914 4.311 17 HB3 LYS 3 HB1 LYS 3 2.496 20.418 4.890 18 HG2 LYS 3 HG2 LYS 3 2.215 19.528 7.110 19 HG3 LYS 3 HG1 LYS 3 2.603 17.899 6.570 20 HD2 LYS 3 HD2 LYS 3 4.525 19.030 7.718 21 HD3 LYS 3 HD1 LYS 3 4.896 18.565 6.062 22 HE2 LYS 3 HE2 LYS 3 4.771 20.772 5.276 23 HE3 LYS 3 HE1 LYS 3 3.771 21.299 6.624 24 HZ1 LYS 3 HZ1 LYS 3 6.505 21.531 6.381 25 HZ2 LYS 3 HZ2 LYS 3 6.259 20.330 7.557 26 HZ3 LYS 3 HZ3 LYS 3 5.563 21.866 7.754 27 H GLU 4 HN GLU 4 -0.233 17.891 2.685 28 HA GLU 4 HA GLU 4 1.457 15.463 2.440 29 HB2 GLU 4 HB2 GLU 4 -0.662 15.123 3.953 30 HB3 GLU 4 HB1 GLU 4 -1.578 15.244 2.454 31 HG2 GLU 4 HG2 GLU 4 0.696 13.289 2.943 32 HG3 GLU 4 HG1 GLU 4 -1.015 12.879 3.013 33 H ASP 5 HN ASP 5 -1.217 17.385 1.151 34 HA ASP 5 HA ASP 5 -1.031 16.141 -1.480 35 HB2 ASP 5 HB2 ASP 5 -2.471 18.585 -0.357 36 HB3 ASP 5 HB1 ASP 5 -2.535 18.187 -2.073 37 H SER 6 HN SER 6 1.352 17.517 -0.234 38 HA SER 6 HA SER 6 2.183 18.873 -2.702 39 HB2 SER 6 HB2 SER 6 1.937 20.333 -0.017 40 HB3 SER 6 HB1 SER 6 2.876 20.965 -1.384 41 HG SER 6 HG SER 6 0.923 21.708 -1.873 42 H PHE 7 HN PHE 7 4.476 19.467 -2.651 43 HA PHE 7 HA PHE 7 6.003 17.645 -0.827 44 HB2 PHE 7 HB2 PHE 7 5.973 17.528 -3.524 45 HB3 PHE 7 HB1 PHE 7 7.188 18.794 -3.355 46 HD1 PHE 7 HD2 PHE 7 9.304 18.328 -2.111 47 HD2 PHE 7 HD1 PHE 7 6.452 15.248 -2.853 48 HE1 PHE 7 HE2 PHE 7 10.993 16.626 -1.578 49 HE2 PHE 7 HE1 PHE 7 8.144 13.556 -2.300 50 HZ PHE 7 HZ PHE 7 10.411 14.244 -1.661 51 H GLU 8 HN GLU 8 7.410 18.526 0.543 52 HA GLU 8 HA GLU 8 7.781 21.456 0.457 53 HB2 GLU 8 HB2 GLU 8 7.253 20.186 2.603 54 HB3 GLU 8 HB1 GLU 8 8.826 19.407 2.477 55 HG2 GLU 8 HG2 GLU 8 9.944 21.600 2.576 56 HG3 GLU 8 HG1 GLU 8 8.380 22.410 2.635 57 H MET 9 HN MET 9 9.585 22.439 -0.189 58 HA MET 9 HA MET 9 12.181 21.102 -0.106 59 HB2 MET 9 HB2 MET 9 10.954 20.292 -2.246 60 HB3 MET 9 HB1 MET 9 11.104 21.944 -2.833 61 HG2 MET 9 HG2 MET 9 12.945 20.350 -3.535 62 HG3 MET 9 HG1 MET 9 13.458 21.858 -2.825 63 HE1 MET 9 HE1 MET 9 16.350 19.673 -1.941 64 HE2 MET 9 HE2 MET 9 15.583 20.732 -3.126 65 HE3 MET 9 HE3 MET 9 15.316 18.990 -3.197 66 H GLU 10 HN GLU 10 13.754 22.572 0.104 67 HA GLU 10 HA GLU 10 13.023 25.398 0.125 68 HB2 GLU 10 HB2 GLU 10 15.806 24.185 0.418 69 HB3 GLU 10 HB1 GLU 10 15.243 25.725 1.056 70 HG2 GLU 10 HG2 GLU 10 13.741 24.601 2.605 71 HG3 GLU 10 HG1 GLU 10 14.099 23.036 1.880 72 H GLY 11 HN GLY 11 13.910 27.045 -1.160 73 HA2 GLY 11 HA2 GLY 11 15.642 26.288 -3.437 74 HA3 GLY 11 HA1 GLY 11 14.008 26.805 -3.865 75 H THR 12 HN THR 12 15.691 28.392 -4.942 76 HA THR 12 HA THR 12 15.993 30.725 -3.074 77 HB THR 12 HB THR 12 17.576 30.394 -5.670 78 HG1 THR 12 HG1 THR 12 17.511 28.762 -3.556 79 HG21 THR 12 HG21 THR 12 18.000 32.501 -4.495 80 HG22 THR 12 HG22 THR 12 19.326 31.440 -4.029 81 HG23 THR 12 HG23 THR 12 17.975 31.698 -2.928 82 H VAL 13 HN VAL 13 15.427 32.754 -3.835 83 HA VAL 13 HA VAL 13 13.519 32.646 -6.211 84 HB VAL 13 HB VAL 13 13.923 34.812 -4.078 85 HG11 VAL 13 HG11 VAL 13 11.655 35.550 -4.902 86 HG12 VAL 13 HG12 VAL 13 11.821 34.413 -6.236 87 HG13 VAL 13 HG13 VAL 13 12.948 35.756 -6.081 88 HG21 VAL 13 HG21 VAL 13 13.082 32.697 -3.118 89 HG22 VAL 13 HG22 VAL 13 11.860 32.572 -4.379 90 HG23 VAL 13 HG23 VAL 13 11.763 33.861 -3.183 91 H VAL 14 HN VAL 14 14.534 33.218 -8.204 92 HA VAL 14 HA VAL 14 15.660 35.933 -8.208 93 HB VAL 14 HB VAL 14 17.372 33.874 -9.531 94 HG11 VAL 14 HG11 VAL 14 17.578 36.582 -8.990 95 HG12 VAL 14 HG12 VAL 14 18.913 35.537 -9.463 96 HG13 VAL 14 HG13 VAL 14 18.603 35.849 -7.760 97 HG21 VAL 14 HG21 VAL 14 16.844 32.822 -7.346 98 HG22 VAL 14 HG22 VAL 14 17.433 34.273 -6.552 99 HG23 VAL 14 HG23 VAL 14 18.537 33.281 -7.479 100 H ASP 15 HN ASP 15 13.779 36.089 -9.460 101 HA ASP 15 HA ASP 15 14.184 36.623 -12.127 102 HB2 ASP 15 HB2 ASP 15 13.499 33.784 -11.599 103 HB3 ASP 15 HB1 ASP 15 12.465 34.585 -12.793 104 H THR 16 HN THR 16 12.278 37.545 -13.051 105 HA THR 16 HA THR 16 9.917 37.579 -11.190 106 HB THR 16 HB THR 16 9.755 40.079 -11.587 107 HG1 THR 16 HG1 THR 16 11.833 40.838 -12.601 108 HG21 THR 16 HG21 THR 16 11.312 39.146 -9.710 109 HG22 THR 16 HG22 THR 16 11.744 40.747 -10.302 110 HG23 THR 16 HG23 THR 16 12.639 39.335 -10.851 111 H LEU 17 HN LEU 17 8.058 37.267 -12.109 112 HA LEU 17 HA LEU 17 7.858 37.540 -15.054 113 HB2 LEU 17 HB2 LEU 17 6.357 35.760 -13.120 114 HB3 LEU 17 HB1 LEU 17 6.021 35.846 -14.846 115 HG LEU 17 HG LEU 17 8.580 34.923 -13.519 116 HD11 LEU 17 HD21 LEU 17 6.700 33.320 -13.730 117 HD12 LEU 17 HD22 LEU 17 8.082 32.858 -14.715 118 HD13 LEU 17 HD23 LEU 17 6.680 33.611 -15.466 119 HD21 LEU 17 HD11 LEU 17 8.013 35.786 -16.343 120 HD22 LEU 17 HD12 LEU 17 9.155 34.480 -16.053 121 HD23 LEU 17 HD13 LEU 17 9.451 36.074 -15.367 122 HA PRO 18 HA PRO 18 4.574 40.357 -14.051 123 HB2 PRO 18 HB2 PRO 18 3.532 40.738 -16.588 124 HB3 PRO 18 HB1 PRO 18 5.073 41.435 -16.079 125 HG2 PRO 18 HG2 PRO 18 4.576 39.159 -17.944 126 HG3 PRO 18 HG1 PRO 18 6.014 40.175 -17.796 127 HD2 PRO 18 HD1 PRO 18 5.642 37.515 -16.735 128 HD3 PRO 18 HD2 PRO 18 7.035 38.587 -16.528 129 H ASN 19 HN ASN 19 2.838 39.725 -13.073 130 HA ASN 19 HA ASN 19 0.320 39.299 -13.735 131 HB2 ASN 19 HB2 ASN 19 0.079 36.708 -13.984 132 HB3 ASN 19 HB1 ASN 19 0.672 37.546 -15.407 133 HD21 ASN 19 HD21 ASN 19 3.129 37.676 -13.131 134 HD22 ASN 19 HD22 ASN 19 4.005 36.297 -13.589 135 H THR 20 HN THR 20 2.634 39.294 -11.724 136 HA THR 20 HA THR 20 2.640 39.167 -9.382 137 HB THR 20 HB THR 20 0.196 37.344 -9.355 138 HG1 THR 20 HG1 THR 20 0.494 39.810 -10.532 139 HG21 THR 20 HG21 THR 20 1.199 39.792 -7.796 140 HG22 THR 20 HG22 THR 20 1.067 38.148 -7.178 141 HG23 THR 20 HG23 THR 20 -0.388 39.076 -7.532 142 H MET 21 HN MET 21 4.272 37.554 -10.835 143 HA MET 21 HA MET 21 4.246 35.094 -9.127 144 HB2 MET 21 HB2 MET 21 4.341 35.231 -12.164 145 HB3 MET 21 HB1 MET 21 5.033 33.861 -11.305 146 HG2 MET 21 HG2 MET 21 2.207 34.846 -10.910 147 HG3 MET 21 HG1 MET 21 2.628 33.588 -12.040 148 HE1 MET 21 HE1 MET 21 0.772 31.343 -9.865 149 HE2 MET 21 HE2 MET 21 0.850 32.369 -11.297 150 HE3 MET 21 HE3 MET 21 0.289 33.035 -9.763 151 H PHE 22 HN PHE 22 6.317 33.950 -9.132 152 HA PHE 22 HA PHE 22 8.617 35.575 -10.024 153 HB2 PHE 22 HB2 PHE 22 8.303 34.527 -7.158 154 HB3 PHE 22 HB1 PHE 22 9.613 35.532 -7.773 155 HD1 PHE 22 HD2 PHE 22 5.984 35.496 -6.968 156 HD2 PHE 22 HD1 PHE 22 9.345 37.917 -7.975 157 HE1 PHE 22 HE2 PHE 22 4.701 37.519 -6.419 158 HE2 PHE 22 HE1 PHE 22 8.055 39.931 -7.420 159 HZ PHE 22 HZ PHE 22 5.736 39.732 -6.643 160 H ARG 23 HN ARG 23 10.513 34.261 -10.219 161 HA ARG 23 HA ARG 23 9.747 31.385 -10.301 162 HB2 ARG 23 HB2 ARG 23 10.580 31.795 -12.384 163 HB3 ARG 23 HB1 ARG 23 11.535 33.122 -11.834 164 HG2 ARG 23 HG2 ARG 23 13.234 31.644 -10.923 165 HG3 ARG 23 HG1 ARG 23 12.217 30.244 -11.243 166 HD2 ARG 23 HD2 ARG 23 13.830 31.889 -13.150 167 HD3 ARG 23 HD1 ARG 23 13.551 30.151 -13.137 168 HE ARG 23 HE ARG 23 11.920 32.125 -14.516 169 HH11 ARG 23 HH21 ARG 23 12.616 28.926 -14.299 170 HH12 ARG 23 HH22 ARG 23 11.004 28.333 -14.525 171 HH21 ARG 23 HH11 ARG 23 9.567 31.514 -14.193 172 HH22 ARG 23 HH12 ARG 23 9.232 29.835 -14.463 173 H VAL 24 HN VAL 24 10.679 29.909 -9.194 174 HA VAL 24 HA VAL 24 12.753 30.799 -7.259 175 HB VAL 24 HB VAL 24 10.429 28.869 -7.212 176 HG11 VAL 24 HG21 VAL 24 13.085 28.433 -5.974 177 HG12 VAL 24 HG22 VAL 24 11.895 27.261 -6.525 178 HG13 VAL 24 HG23 VAL 24 11.668 28.096 -4.997 179 HG21 VAL 24 HG11 VAL 24 9.928 29.947 -5.177 180 HG22 VAL 24 HG12 VAL 24 10.608 31.247 -6.152 181 HG23 VAL 24 HG13 VAL 24 11.595 30.455 -4.929 182 H GLU 25 HN GLU 25 14.709 29.883 -7.444 183 HA GLU 25 HA GLU 25 14.999 27.835 -9.596 184 HB2 GLU 25 HB2 GLU 25 17.068 29.425 -7.968 185 HB3 GLU 25 HB1 GLU 25 17.449 28.345 -9.306 186 HG2 GLU 25 HG2 GLU 25 16.082 29.731 -10.827 187 HG3 GLU 25 HG1 GLU 25 15.671 30.802 -9.491 188 H LEU 26 HN LEU 26 15.131 25.921 -9.223 189 HA LEU 26 HA LEU 26 16.046 24.812 -6.634 190 HB2 LEU 26 HB2 LEU 26 14.130 23.717 -8.785 191 HB3 LEU 26 HB1 LEU 26 14.748 22.735 -7.474 192 HG LEU 26 HG LEU 26 13.097 25.261 -7.223 193 HD11 LEU 26 HD21 LEU 26 11.369 23.796 -6.378 194 HD12 LEU 26 HD22 LEU 26 12.471 22.424 -6.340 195 HD13 LEU 26 HD23 LEU 26 11.940 23.081 -7.885 196 HD21 LEU 26 HD11 LEU 26 13.137 24.339 -4.741 197 HD22 LEU 26 HD12 LEU 26 14.449 25.342 -5.331 198 HD23 LEU 26 HD13 LEU 26 14.646 23.598 -5.262 199 H GLU 27 HN GLU 27 17.612 25.953 -8.591 200 HA GLU 27 HA GLU 27 18.697 24.649 -10.710 201 HB2 GLU 27 HB2 GLU 27 20.927 25.561 -9.977 202 HB3 GLU 27 HB1 GLU 27 19.637 26.745 -9.806 203 HG2 GLU 27 HG2 GLU 27 19.414 25.881 -7.377 204 HG3 GLU 27 HG1 GLU 27 20.981 25.117 -7.636 205 H ASN 28 HN ASN 28 18.384 23.259 -7.702 206 HA ASN 28 HA ASN 28 20.725 21.586 -7.832 207 HB2 ASN 28 HB2 ASN 28 18.072 21.568 -6.333 208 HB3 ASN 28 HB1 ASN 28 19.013 20.077 -6.372 209 HD21 ASN 28 HD21 ASN 28 19.570 20.213 -4.098 210 HD22 ASN 28 HD22 ASN 28 20.650 21.382 -3.511 211 H GLY 29 HN GLY 29 19.003 22.099 -10.180 212 HA2 GLY 29 HA2 GLY 29 19.045 20.524 -12.073 213 HA3 GLY 29 HA1 GLY 29 18.342 19.336 -10.983 214 H HIS 30 HN HIS 30 16.648 21.914 -9.951 215 HA HIS 30 HA HIS 30 14.638 21.740 -12.188 216 HB2 HIS 30 HB2 HIS 30 14.347 21.320 -9.231 217 HB3 HIS 30 HB1 HIS 30 13.009 22.095 -10.077 218 HD1 HIS 30 HD1 HIS 30 14.172 20.152 -12.554 219 HD2 HIS 30 HD2 HIS 30 12.304 19.144 -9.098 220 HE1 HIS 30 HE1 HIS 30 13.255 17.950 -12.971 221 H VAL 31 HN VAL 31 13.110 23.430 -12.367 222 HA VAL 31 HA VAL 31 13.878 26.092 -11.125 223 HB VAL 31 HB VAL 31 14.491 25.551 -13.712 224 HG11 VAL 31 HG21 VAL 31 12.105 24.754 -14.147 225 HG12 VAL 31 HG22 VAL 31 12.698 25.968 -15.273 226 HG13 VAL 31 HG23 VAL 31 11.599 26.433 -13.978 227 HG21 VAL 31 HG11 VAL 31 14.743 27.749 -12.641 228 HG22 VAL 31 HG12 VAL 31 13.018 28.051 -12.815 229 HG23 VAL 31 HG13 VAL 31 14.040 27.949 -14.244 230 H VAL 32 HN VAL 32 11.901 27.407 -10.668 231 HA VAL 32 HA VAL 32 9.339 26.191 -11.503 232 HB VAL 32 HB VAL 32 9.716 26.880 -8.651 233 HG11 VAL 32 HG21 VAL 32 8.039 24.918 -8.541 234 HG12 VAL 32 HG22 VAL 32 7.872 25.190 -10.267 235 HG13 VAL 32 HG23 VAL 32 7.475 26.472 -9.134 236 HG21 VAL 32 HG11 VAL 32 11.536 25.288 -9.235 237 HG22 VAL 32 HG12 VAL 32 10.318 24.189 -9.874 238 HG23 VAL 32 HG13 VAL 32 10.346 24.566 -8.158 239 H THR 33 HN THR 33 7.493 27.365 -10.518 240 HA THR 33 HA THR 33 7.954 30.294 -10.707 241 HB THR 33 HB THR 33 5.384 28.841 -11.453 242 HG1 THR 33 HG1 THR 33 7.430 28.198 -12.547 243 HG21 THR 33 HG21 THR 33 6.705 31.505 -12.209 244 HG22 THR 33 HG22 THR 33 5.175 31.311 -11.361 245 HG23 THR 33 HG23 THR 33 5.303 30.863 -13.059 246 H ALA 34 HN ALA 34 7.930 30.898 -8.567 247 HA ALA 34 HA ALA 34 5.844 29.672 -6.842 248 HB1 ALA 34 HB1 ALA 34 7.230 31.346 -5.196 249 HB2 ALA 34 HB2 ALA 34 8.448 31.090 -6.441 250 HB3 ALA 34 HB3 ALA 34 7.779 29.716 -5.566 251 H HIS 35 HN HIS 35 4.966 31.253 -5.157 252 HA HIS 35 HA HIS 35 4.277 33.882 -6.379 253 HB2 HIS 35 HB2 HIS 35 2.456 32.181 -6.912 254 HB3 HIS 35 HB1 HIS 35 2.244 31.914 -5.187 255 HD1 HIS 35 HD1 HIS 35 1.295 34.186 -7.783 256 HD2 HIS 35 HD2 HIS 35 1.309 34.257 -3.731 257 HE1 HIS 35 HE1 HIS 35 -0.146 36.041 -7.198 258 H ILE 36 HN ILE 36 4.105 35.488 -4.883 259 HA ILE 36 HA ILE 36 4.835 34.706 -2.119 260 HB ILE 36 HB ILE 36 5.984 36.597 -3.375 261 HG12 ILE 36 HG12 ILE 36 4.473 37.556 -0.925 262 HG13 ILE 36 HG11 ILE 36 5.859 36.474 -0.857 263 HG21 ILE 36 HG21 ILE 36 3.505 38.253 -2.802 264 HG22 ILE 36 HG22 ILE 36 3.575 37.312 -4.288 265 HG23 ILE 36 HG23 ILE 36 4.781 38.556 -3.976 266 HD11 ILE 36 HD11 ILE 36 5.756 39.354 -1.738 267 HD12 ILE 36 HD12 ILE 36 7.030 38.297 -2.338 268 HD13 ILE 36 HD13 ILE 36 6.867 38.586 -0.610 269 H SER 37 HN SER 37 3.501 34.811 -0.426 270 HA SER 37 HA SER 37 0.741 34.771 -0.607 271 HB2 SER 37 HB2 SER 37 0.791 35.538 1.851 272 HB3 SER 37 HB1 SER 37 1.933 34.227 1.503 273 HG SER 37 HG SER 37 2.780 36.202 2.585 274 H GLY 38 HN GLY 38 -0.916 36.295 -0.168 275 HA2 GLY 38 HA2 GLY 38 -0.522 38.832 -1.484 276 HA3 GLY 38 HA1 GLY 38 -1.986 38.336 -0.639 277 H LYS 39 HN LYS 39 -0.413 37.775 1.828 278 HA LYS 39 HA LYS 39 -0.870 40.096 3.277 279 HB2 LYS 39 HB2 LYS 39 -0.250 38.044 4.428 280 HB3 LYS 39 HB1 LYS 39 1.294 37.964 3.593 281 HG2 LYS 39 HG2 LYS 39 1.565 38.792 5.916 282 HG3 LYS 39 HG1 LYS 39 2.044 40.014 4.744 283 HD2 LYS 39 HD2 LYS 39 0.583 40.893 6.610 284 HD3 LYS 39 HD1 LYS 39 -0.066 41.179 5.002 285 HE2 LYS 39 HE2 LYS 39 -1.698 39.496 5.224 286 HE3 LYS 39 HE1 LYS 39 -0.817 38.679 6.508 287 HZ1 LYS 39 HZ1 LYS 39 -2.860 40.504 6.787 288 HZ2 LYS 39 HZ2 LYS 39 -1.457 41.330 7.267 289 HZ3 LYS 39 HZ3 LYS 39 -1.878 39.867 8.018 290 H MET 40 HN MET 40 2.153 39.206 1.625 291 HA MET 40 HA MET 40 3.585 41.558 2.396 292 HB2 MET 40 HB2 MET 40 3.847 39.751 -0.055 293 HB3 MET 40 HB1 MET 40 5.033 40.972 0.395 294 HG2 MET 40 HG2 MET 40 4.170 38.597 2.052 295 HG3 MET 40 HG1 MET 40 5.696 38.769 1.230 296 HE1 MET 40 HE1 MET 40 4.775 37.953 4.138 297 HE2 MET 40 HE2 MET 40 5.951 38.680 5.234 298 HE3 MET 40 HE3 MET 40 6.500 37.823 3.793 299 H ARG 41 HN ARG 41 1.903 40.782 -0.637 300 HA ARG 41 HA ARG 41 2.291 43.193 -1.977 301 HB2 ARG 41 HB2 ARG 41 0.716 40.923 -2.343 302 HB3 ARG 41 HB1 ARG 41 -0.491 42.187 -2.137 303 HG2 ARG 41 HG2 ARG 41 0.552 43.519 -3.905 304 HG3 ARG 41 HG1 ARG 41 1.845 42.337 -4.067 305 HD2 ARG 41 HD2 ARG 41 -0.189 42.221 -5.723 306 HD3 ARG 41 HD1 ARG 41 0.420 40.722 -5.023 307 HE ARG 41 HE ARG 41 -1.608 41.767 -3.305 308 HH11 ARG 41 HH21 ARG 41 -2.743 42.223 -6.069 309 HH12 ARG 41 HH22 ARG 41 -3.602 40.745 -6.346 310 HH21 ARG 41 HH11 ARG 41 -1.960 39.070 -3.742 311 HH22 ARG 41 HH12 ARG 41 -3.148 38.912 -4.992 312 H LYS 42 HN LYS 42 -0.525 42.422 0.056 313 HA LYS 42 HA LYS 42 -1.731 44.944 0.039 314 HB2 LYS 42 HB2 LYS 42 -1.521 42.812 2.209 315 HB3 LYS 42 HB1 LYS 42 -2.498 44.258 2.433 316 HG2 LYS 42 HG2 LYS 42 -3.938 43.696 0.619 317 HG3 LYS 42 HG1 LYS 42 -2.812 42.496 -0.005 318 HD2 LYS 42 HD2 LYS 42 -3.142 41.219 2.174 319 HD3 LYS 42 HD1 LYS 42 -4.454 42.332 2.538 320 HE2 LYS 42 HE2 LYS 42 -5.510 40.479 1.482 321 HE3 LYS 42 HE1 LYS 42 -5.404 41.706 0.226 322 HZ1 LYS 42 HZ1 LYS 42 -3.579 40.632 -0.751 323 HZ2 LYS 42 HZ2 LYS 42 -4.701 39.402 -0.414 324 HZ3 LYS 42 HZ3 LYS 42 -3.345 39.613 0.587 325 H ASN 43 HN ASN 43 0.949 43.792 2.019 326 HA ASN 43 HA ASN 43 1.116 46.441 3.335 327 HB2 ASN 43 HB2 ASN 43 1.382 44.292 4.657 328 HB3 ASN 43 HB1 ASN 43 2.839 43.946 3.730 329 HD21 ASN 43 HD21 ASN 43 2.223 47.299 4.368 330 HD22 ASN 43 HD22 ASN 43 3.363 47.492 5.610 331 H TYR 44 HN TYR 44 1.851 45.648 0.463 332 HA TYR 44 HA TYR 44 3.667 45.926 -1.029 333 HB2 TYR 44 HB2 TYR 44 4.349 48.350 -1.011 334 HB3 TYR 44 HB1 TYR 44 2.609 48.161 -0.829 335 HD1 TYR 44 HD1 TYR 44 1.656 48.190 1.567 336 HD2 TYR 44 HD2 TYR 44 5.599 49.498 0.646 337 HE1 TYR 44 HE1 TYR 44 1.738 49.436 3.678 338 HE2 TYR 44 HE2 TYR 44 5.681 50.739 2.758 339 HH TYR 44 HH TYR 44 3.707 51.811 4.339 340 H ILE 45 HN ILE 45 4.792 44.313 0.698 341 HA ILE 45 HA ILE 45 7.231 45.612 1.752 342 HB ILE 45 HB ILE 45 6.034 42.829 2.089 343 HG12 ILE 45 HG12 ILE 45 4.902 44.557 3.378 344 HG13 ILE 45 HG11 ILE 45 5.855 43.563 4.469 345 HG21 ILE 45 HG21 ILE 45 8.269 42.268 2.429 346 HG22 ILE 45 HG22 ILE 45 8.015 43.033 3.994 347 HG23 ILE 45 HG23 ILE 45 8.752 43.941 2.680 348 HD11 ILE 45 HD11 ILE 45 6.311 46.392 3.589 349 HD12 ILE 45 HD12 ILE 45 7.718 45.397 3.948 350 HD13 ILE 45 HD13 ILE 45 6.501 45.676 5.187 351 H ARG 46 HN ARG 46 9.323 44.708 1.269 352 HA ARG 46 HA ARG 46 9.411 42.999 -1.171 353 HB2 ARG 46 HB2 ARG 46 11.385 44.639 -1.852 354 HB3 ARG 46 HB1 ARG 46 9.726 45.122 -2.180 355 HG2 ARG 46 HG2 ARG 46 9.689 46.358 -0.012 356 HG3 ARG 46 HG1 ARG 46 11.378 45.933 0.234 357 HD2 ARG 46 HD2 ARG 46 10.397 47.396 -2.235 358 HD3 ARG 46 HD1 ARG 46 10.991 48.230 -0.799 359 HE ARG 46 HE ARG 46 12.627 46.647 -2.680 360 HH11 ARG 46 HH11 ARG 46 13.436 45.903 0.058 361 HH12 ARG 46 HH12 ARG 46 14.618 47.104 0.458 362 HH21 ARG 46 HH21 ARG 46 13.599 49.249 -2.122 363 HH22 ARG 46 HH22 ARG 46 14.713 49.050 -0.809 364 H ILE 47 HN ILE 47 11.339 41.867 -1.476 365 HA ILE 47 HA ILE 47 13.255 41.893 0.816 366 HB ILE 47 HB ILE 47 12.082 39.414 -0.537 367 HG12 ILE 47 HG12 ILE 47 11.362 39.265 2.089 368 HG13 ILE 47 HG11 ILE 47 11.274 41.004 1.832 369 HG21 ILE 47 HG21 ILE 47 14.377 39.069 0.317 370 HG22 ILE 47 HG22 ILE 47 13.253 38.275 1.415 371 HG23 ILE 47 HG23 ILE 47 13.959 39.830 1.849 372 HD11 ILE 47 HD11 ILE 47 9.764 40.710 -0.048 373 HD12 ILE 47 HD12 ILE 47 9.124 39.784 1.306 374 HD13 ILE 47 HD13 ILE 47 9.974 38.962 -0.001 375 H LEU 48 HN LEU 48 15.372 41.287 0.293 376 HA LEU 48 HA LEU 48 16.282 42.014 -2.288 377 HB2 LEU 48 HB2 LEU 48 17.695 41.884 -0.184 378 HB3 LEU 48 HB1 LEU 48 17.659 40.128 -0.308 379 HG LEU 48 HG LEU 48 18.780 40.211 -2.477 380 HD11 LEU 48 HD11 LEU 48 19.636 42.675 -3.045 381 HD12 LEU 48 HD12 LEU 48 18.174 43.130 -2.176 382 HD13 LEU 48 HD13 LEU 48 18.067 42.110 -3.609 383 HD21 LEU 48 HD21 LEU 48 20.919 40.822 -1.708 384 HD22 LEU 48 HD22 LEU 48 20.049 40.544 -0.203 385 HD23 LEU 48 HD23 LEU 48 20.301 42.187 -0.782 386 H THR 49 HN THR 49 16.729 40.920 -4.129 387 HA THR 49 HA THR 49 15.290 38.532 -4.762 388 HB THR 49 HB THR 49 17.821 39.723 -6.080 389 HG1 THR 49 HG1 THR 49 15.799 40.270 -7.468 390 HG21 THR 49 HG21 THR 49 17.284 37.372 -6.877 391 HG22 THR 49 HG22 THR 49 16.892 38.556 -8.119 392 HG23 THR 49 HG23 THR 49 15.610 37.860 -7.131 393 H GLY 50 HN GLY 50 15.763 36.579 -4.869 394 HA2 GLY 50 HA2 GLY 50 16.805 34.523 -4.535 395 HA3 GLY 50 HA1 GLY 50 18.331 35.372 -4.370 396 H ASP 51 HN ASP 51 15.348 34.630 -2.865 397 HA ASP 51 HA ASP 51 16.594 34.925 -0.189 398 HB2 ASP 51 HB2 ASP 51 13.793 34.457 0.058 399 HB3 ASP 51 HB1 ASP 51 14.593 36.008 0.269 400 H LYS 52 HN LYS 52 16.967 32.946 0.865 401 HA LYS 52 HA LYS 52 16.217 30.653 -0.795 402 HB2 LYS 52 HB2 LYS 52 17.453 31.011 2.003 403 HB3 LYS 52 HB1 LYS 52 16.910 29.422 1.493 404 HG2 LYS 52 HG2 LYS 52 18.405 29.452 -0.413 405 HG3 LYS 52 HG1 LYS 52 18.837 31.130 -0.105 406 HD2 LYS 52 HD2 LYS 52 19.597 30.297 2.231 407 HD3 LYS 52 HD1 LYS 52 19.533 28.685 1.529 408 HE2 LYS 52 HE2 LYS 52 20.951 29.779 -0.402 409 HE3 LYS 52 HE1 LYS 52 21.329 30.989 0.817 410 HZ1 LYS 52 HZ1 LYS 52 21.636 28.101 1.347 411 HZ2 LYS 52 HZ2 LYS 52 22.320 29.409 2.187 412 HZ3 LYS 52 HZ3 LYS 52 22.872 29.017 0.630 413 H VAL 53 HN VAL 53 14.139 30.086 -0.865 414 HA VAL 53 HA VAL 53 12.464 30.496 1.592 415 HB VAL 53 HB VAL 53 10.562 30.735 -0.031 416 HG11 VAL 53 HG21 VAL 53 11.093 32.916 0.269 417 HG12 VAL 53 HG22 VAL 53 12.055 32.820 -1.197 418 HG13 VAL 53 HG23 VAL 53 12.807 32.538 0.366 419 HG21 VAL 53 HG11 VAL 53 11.408 31.179 -2.459 420 HG22 VAL 53 HG12 VAL 53 11.295 29.504 -1.928 421 HG23 VAL 53 HG13 VAL 53 12.856 30.317 -1.956 422 H ARG 54 HN ARG 54 10.604 29.149 1.871 423 HA ARG 54 HA ARG 54 11.360 26.360 1.132 424 HB2 ARG 54 HB2 ARG 54 10.672 27.085 3.513 425 HB3 ARG 54 HB1 ARG 54 9.047 27.301 2.880 426 HG2 ARG 54 HG2 ARG 54 8.922 24.965 2.237 427 HG3 ARG 54 HG1 ARG 54 10.619 24.722 2.634 428 HD2 ARG 54 HD2 ARG 54 9.365 23.883 4.510 429 HD3 ARG 54 HD1 ARG 54 10.034 25.430 5.020 430 HE ARG 54 HE ARG 54 7.440 25.859 3.883 431 HH11 ARG 54 HH21 ARG 54 8.792 23.977 6.374 432 HH12 ARG 54 HH22 ARG 54 7.643 24.451 7.580 433 HH21 ARG 54 HH11 ARG 54 6.059 26.747 5.456 434 HH22 ARG 54 HH12 ARG 54 6.054 26.060 7.047 435 H VAL 55 HN VAL 55 10.518 25.582 -0.661 436 HA VAL 55 HA VAL 55 8.074 26.830 -1.712 437 HB VAL 55 HB VAL 55 9.628 24.766 -3.234 438 HG11 VAL 55 HG11 VAL 55 8.534 27.455 -4.099 439 HG12 VAL 55 HG12 VAL 55 7.533 26.008 -4.035 440 HG13 VAL 55 HG13 VAL 55 8.921 26.070 -5.117 441 HG21 VAL 55 HG21 VAL 55 11.366 26.282 -3.856 442 HG22 VAL 55 HG22 VAL 55 11.292 26.380 -2.106 443 HG23 VAL 55 HG23 VAL 55 10.561 27.646 -3.086 444 H GLU 56 HN GLU 56 6.343 25.742 -2.377 445 HA GLU 56 HA GLU 56 6.106 22.926 -1.431 446 HB2 GLU 56 HB2 GLU 56 4.197 25.311 -1.330 447 HB3 GLU 56 HB1 GLU 56 3.573 23.664 -1.290 448 HG2 GLU 56 HG2 GLU 56 3.925 24.582 1.003 449 HG3 GLU 56 HG1 GLU 56 4.937 23.173 0.700 450 H LEU 57 HN LEU 57 6.102 21.724 -3.204 451 HA LEU 57 HA LEU 57 5.071 22.917 -5.709 452 HB2 LEU 57 HB2 LEU 57 6.266 20.130 -5.294 453 HB3 LEU 57 HB1 LEU 57 6.153 21.027 -6.803 454 HG LEU 57 HG LEU 57 7.701 22.127 -4.451 455 HD11 LEU 57 HD11 LEU 57 9.727 21.126 -5.416 456 HD12 LEU 57 HD12 LEU 57 8.765 20.354 -6.674 457 HD13 LEU 57 HD13 LEU 57 8.577 19.860 -4.995 458 HD21 LEU 57 HD21 LEU 57 7.407 23.791 -6.092 459 HD22 LEU 57 HD22 LEU 57 7.513 22.637 -7.416 460 HD23 LEU 57 HD23 LEU 57 8.964 23.097 -6.532 461 H THR 58 HN THR 58 3.425 22.054 -6.886 462 HA THR 58 HA THR 58 1.562 20.381 -5.289 463 HB THR 58 HB THR 58 -0.195 21.423 -6.610 464 HG1 THR 58 HG1 THR 58 1.605 22.667 -8.304 465 HG21 THR 58 HG21 THR 58 2.099 23.481 -6.559 466 HG22 THR 58 HG22 THR 58 1.152 23.091 -5.124 467 HG23 THR 58 HG23 THR 58 0.375 23.841 -6.514 468 HA PRO 59 HA PRO 59 2.369 16.894 -7.876 469 HB2 PRO 59 HB2 PRO 59 -0.320 15.858 -7.562 470 HB3 PRO 59 HB1 PRO 59 1.135 15.325 -6.720 471 HG2 PRO 59 HG2 PRO 59 -1.069 16.920 -5.666 472 HG3 PRO 59 HG1 PRO 59 0.322 16.274 -4.793 473 HD2 PRO 59 HD1 PRO 59 -0.144 19.007 -5.499 474 HD3 PRO 59 HD2 PRO 59 1.321 18.323 -4.772 475 H TYR 60 HN TYR 60 -0.219 19.118 -8.311 476 HA TYR 60 HA TYR 60 -1.239 18.021 -10.790 477 HB2 TYR 60 HB2 TYR 60 -1.369 20.783 -9.489 478 HB3 TYR 60 HB1 TYR 60 -2.180 20.418 -11.010 479 HD1 TYR 60 HD1 TYR 60 -3.992 18.696 -11.062 480 HD2 TYR 60 HD2 TYR 60 -2.215 19.918 -7.395 481 HE1 TYR 60 HE1 TYR 60 -5.855 17.693 -9.823 482 HE2 TYR 60 HE2 TYR 60 -4.084 18.924 -6.158 483 HH TYR 60 HH TYR 60 -6.599 18.374 -6.742 484 H ASP 61 HN ASP 61 1.317 20.253 -9.934 485 HA ASP 61 HA ASP 61 2.631 19.890 -12.463 486 HB2 ASP 61 HB2 ASP 61 0.786 22.238 -12.097 487 HB3 ASP 61 HB1 ASP 61 2.338 22.578 -12.857 488 H LEU 62 HN LEU 62 4.149 19.431 -10.697 489 HA LEU 62 HA LEU 62 5.135 21.061 -8.745 490 HB2 LEU 62 HB2 LEU 62 6.725 19.453 -10.799 491 HB3 LEU 62 HB1 LEU 62 7.420 20.094 -9.312 492 HG LEU 62 HG LEU 62 5.184 18.873 -8.339 493 HD11 LEU 62 HD11 LEU 62 6.155 16.804 -10.249 494 HD12 LEU 62 HD12 LEU 62 5.057 18.024 -10.880 495 HD13 LEU 62 HD13 LEU 62 4.560 17.009 -9.531 496 HD21 LEU 62 HD21 LEU 62 7.372 18.535 -7.379 497 HD22 LEU 62 HD22 LEU 62 7.956 17.747 -8.841 498 HD23 LEU 62 HD23 LEU 62 6.770 16.941 -7.820 499 H SER 63 HN SER 63 5.422 21.624 -12.180 500 HA SER 63 HA SER 63 7.543 23.502 -12.166 501 HB2 SER 63 HB2 SER 63 6.305 24.469 -14.212 502 HB3 SER 63 HB1 SER 63 6.494 22.706 -14.289 503 HG SER 63 HG SER 63 4.348 23.018 -14.566 504 H LYS 64 HN LYS 64 4.755 23.572 -10.443 505 HA LYS 64 HA LYS 64 4.968 26.530 -10.071 506 HB2 LYS 64 HB2 LYS 64 2.315 25.009 -9.963 507 HB3 LYS 64 HB1 LYS 64 2.551 26.746 -10.059 508 HG2 LYS 64 HG2 LYS 64 3.570 24.980 -12.282 509 HG3 LYS 64 HG1 LYS 64 1.872 25.409 -12.223 510 HD2 LYS 64 HD2 LYS 64 2.762 27.860 -11.917 511 HD3 LYS 64 HD1 LYS 64 4.261 27.212 -12.569 512 HE2 LYS 64 HE2 LYS 64 3.289 26.704 -14.648 513 HE3 LYS 64 HE1 LYS 64 1.662 26.645 -13.986 514 HZ1 LYS 64 HZ1 LYS 64 1.564 28.962 -13.841 515 HZ2 LYS 64 HZ2 LYS 64 2.234 28.640 -15.368 516 HZ3 LYS 64 HZ3 LYS 64 3.234 29.144 -14.091 517 H GLY 65 HN GLY 65 4.697 27.220 -8.017 518 HA2 GLY 65 HA2 GLY 65 3.746 25.478 -5.887 519 HA3 GLY 65 HA1 GLY 65 5.497 25.700 -5.864 520 H ARG 66 HN ARG 66 4.707 26.666 -3.719 521 HA ARG 66 HA ARG 66 4.411 29.626 -4.206 522 HB2 ARG 66 HB2 ARG 66 2.925 29.665 -2.112 523 HB3 ARG 66 HB1 ARG 66 2.193 28.859 -3.495 524 HG2 ARG 66 HG2 ARG 66 2.924 26.667 -2.593 525 HG3 ARG 66 HG1 ARG 66 3.631 27.482 -1.202 526 HD2 ARG 66 HD2 ARG 66 1.364 28.439 -0.684 527 HD3 ARG 66 HD1 ARG 66 0.699 27.465 -1.993 528 HE ARG 66 HE ARG 66 2.103 25.680 -0.331 529 HH11 ARG 66 HH21 ARG 66 -0.211 28.140 0.158 530 HH12 ARG 66 HH22 ARG 66 -1.202 27.215 1.236 531 HH21 ARG 66 HH11 ARG 66 0.766 24.334 0.896 532 HH22 ARG 66 HH12 ARG 66 -0.634 25.003 1.665 533 H ILE 67 HN ILE 67 5.067 30.954 -2.287 534 HA ILE 67 HA ILE 67 7.401 29.607 -0.968 535 HB ILE 67 HB ILE 67 6.666 32.455 -1.665 536 HG12 ILE 67 HG12 ILE 67 9.295 31.018 -1.989 537 HG13 ILE 67 HG11 ILE 67 7.996 30.836 -3.159 538 HG21 ILE 67 HG21 ILE 67 7.464 32.853 0.533 539 HG22 ILE 67 HG22 ILE 67 8.972 32.883 -0.374 540 HG23 ILE 67 HG23 ILE 67 8.508 31.437 0.512 541 HD11 ILE 67 HD11 ILE 67 7.938 33.451 -3.154 542 HD12 ILE 67 HD12 ILE 67 9.235 32.646 -4.034 543 HD13 ILE 67 HD13 ILE 67 9.544 33.326 -2.442 544 H THR 68 HN THR 68 7.576 29.474 1.248 545 HA THR 68 HA THR 68 5.950 31.007 2.996 546 HB THR 68 HB THR 68 4.860 28.789 3.951 547 HG1 THR 68 HG1 THR 68 6.214 28.066 1.717 548 HG21 THR 68 HG21 THR 68 3.712 30.650 2.375 549 HG22 THR 68 HG22 THR 68 2.910 29.102 2.605 550 HG23 THR 68 HG23 THR 68 3.853 29.392 1.148 551 H TYR 69 HN TYR 69 8.047 31.301 3.583 552 HA TYR 69 HA TYR 69 9.202 31.077 5.808 553 HB2 TYR 69 HB2 TYR 69 8.301 28.701 6.145 554 HB3 TYR 69 HB1 TYR 69 9.492 28.141 4.973 555 HD1 TYR 69 HD1 TYR 69 9.020 29.632 8.308 556 HD2 TYR 69 HD2 TYR 69 11.863 28.077 5.551 557 HE1 TYR 69 HE1 TYR 69 10.707 29.567 10.087 558 HE2 TYR 69 HE2 TYR 69 13.553 28.016 7.331 559 HH TYR 69 HH TYR 69 13.223 27.860 10.183 560 H ARG 70 HN ARG 70 11.121 31.937 5.564 561 HA ARG 70 HA ARG 70 12.960 30.778 3.619 562 HB2 ARG 70 HB2 ARG 70 13.385 33.075 2.643 563 HB3 ARG 70 HB1 ARG 70 11.781 32.442 2.301 564 HG2 ARG 70 HG2 ARG 70 11.292 34.588 3.068 565 HG3 ARG 70 HG1 ARG 70 11.099 33.625 4.520 566 HD2 ARG 70 HD2 ARG 70 12.746 34.770 5.558 567 HD3 ARG 70 HD1 ARG 70 13.869 34.435 4.243 568 HE ARG 70 HE ARG 70 13.414 36.592 3.384 569 HH11 ARG 70 HH21 ARG 70 10.622 35.427 4.886 570 HH12 ARG 70 HH22 ARG 70 9.985 36.982 5.304 571 HH21 ARG 70 HH11 ARG 70 12.860 38.671 4.223 572 HH22 ARG 70 HH12 ARG 70 11.286 38.868 4.917 573 H ALA 71 HN ALA 71 15.106 31.474 3.751 574 HA ALA 71 HA ALA 71 15.806 32.877 6.262 575 HB1 ALA 71 HB1 ALA 71 17.723 31.179 6.441 576 HB2 ALA 71 HB2 ALA 71 16.928 30.260 5.167 577 HB3 ALA 71 HB3 ALA 71 16.122 30.500 6.713 578 H ARG 72 HN ARG 72 17.899 33.848 6.260 579 HA ARG 72 HA ARG 72 18.557 35.065 3.719 580 HB2 ARG 72 HB2 ARG 72 20.271 35.049 6.246 581 HB3 ARG 72 HB1 ARG 72 20.213 36.293 5.001 582 HG2 ARG 72 HG2 ARG 72 17.862 35.540 6.767 583 HG3 ARG 72 HG1 ARG 72 18.928 36.906 7.072 584 HD2 ARG 72 HD2 ARG 72 18.351 37.518 4.559 585 HD3 ARG 72 HD1 ARG 72 16.931 36.520 4.863 586 HE ARG 72 HE ARG 72 16.123 38.200 6.324 587 HH11 ARG 72 HH21 ARG 72 18.753 39.280 4.615 588 HH12 ARG 72 HH22 ARG 72 19.199 40.548 5.706 589 HH21 ARG 72 HH11 ARG 72 16.931 39.500 8.166 590 HH22 ARG 72 HH12 ARG 72 18.138 40.676 7.771 Start of MODEL 12 1 HA MET 1 HA MET 1 -5.440 12.965 -11.724 2 HB2 MET 1 HB2 MET 1 -4.099 10.464 -12.659 3 HB3 MET 1 HB1 MET 1 -5.193 10.247 -11.297 4 HG2 MET 1 HG2 MET 1 -7.026 11.163 -12.488 5 HG3 MET 1 HG1 MET 1 -5.997 11.845 -13.717 6 HE1 MET 1 HE1 MET 1 -7.966 11.140 -15.180 7 HE2 MET 1 HE2 MET 1 -8.803 10.135 -13.997 8 HE3 MET 1 HE3 MET 1 -8.402 9.479 -15.583 9 H SER 2 HN SER 2 -3.221 10.501 -10.478 10 HA SER 2 HA SER 2 -2.968 11.978 -7.935 11 HB2 SER 2 HB2 SER 2 -4.216 9.177 -8.046 12 HB3 SER 2 HB1 SER 2 -4.009 10.186 -6.601 13 HG SER 2 HG SER 2 -5.759 11.193 -7.155 14 H LYS 3 HN LYS 3 -1.042 11.235 -9.850 15 HA LYS 3 HA LYS 3 0.302 8.790 -9.250 16 HB2 LYS 3 HB2 LYS 3 1.699 11.379 -10.046 17 HB3 LYS 3 HB1 LYS 3 2.142 9.735 -10.489 18 HG2 LYS 3 HG2 LYS 3 -0.314 11.258 -11.415 19 HG3 LYS 3 HG1 LYS 3 1.068 10.796 -12.403 20 HD2 LYS 3 HD2 LYS 3 0.544 8.375 -11.787 21 HD3 LYS 3 HD1 LYS 3 -0.968 8.964 -11.105 22 HE2 LYS 3 HE2 LYS 3 -1.401 8.276 -13.391 23 HE3 LYS 3 HE1 LYS 3 -1.475 10.031 -13.332 24 HZ1 LYS 3 HZ1 LYS 3 0.070 10.089 -14.882 25 HZ2 LYS 3 HZ2 LYS 3 0.216 8.397 -14.865 26 HZ3 LYS 3 HZ3 LYS 3 1.167 9.341 -13.823 27 H GLU 4 HN GLU 4 0.737 12.068 -7.957 28 HA GLU 4 HA GLU 4 1.848 10.875 -5.496 29 HB2 GLU 4 HB2 GLU 4 3.732 11.394 -7.226 30 HB3 GLU 4 HB1 GLU 4 3.369 13.091 -6.935 31 HG2 GLU 4 HG2 GLU 4 3.630 11.576 -4.441 32 HG3 GLU 4 HG1 GLU 4 5.095 11.513 -5.417 33 H ASP 5 HN ASP 5 2.327 12.665 -3.862 34 HA ASP 5 HA ASP 5 0.083 14.627 -4.010 35 HB2 ASP 5 HB2 ASP 5 1.782 13.723 -1.629 36 HB3 ASP 5 HB1 ASP 5 0.341 14.732 -1.540 37 H SER 6 HN SER 6 0.823 16.517 -2.243 38 HA SER 6 HA SER 6 2.500 18.236 -3.767 39 HB2 SER 6 HB2 SER 6 2.646 19.214 -1.140 40 HB3 SER 6 HB1 SER 6 1.304 19.544 -2.253 41 HG SER 6 HG SER 6 0.117 18.282 -1.080 42 H PHE 7 HN PHE 7 4.472 19.361 -2.555 43 HA PHE 7 HA PHE 7 6.164 17.377 -1.158 44 HB2 PHE 7 HB2 PHE 7 6.284 17.285 -3.863 45 HB3 PHE 7 HB1 PHE 7 7.402 18.620 -3.608 46 HD1 PHE 7 HD2 PHE 7 6.678 15.182 -2.283 47 HD2 PHE 7 HD1 PHE 7 9.653 18.112 -3.145 48 HE1 PHE 7 HE2 PHE 7 8.440 13.579 -1.689 49 HE2 PHE 7 HE1 PHE 7 11.409 16.499 -2.549 50 HZ PHE 7 HZ PHE 7 10.801 14.235 -1.816 51 H GLU 8 HN GLU 8 7.822 18.288 -0.002 52 HA GLU 8 HA GLU 8 7.861 21.279 0.032 53 HB2 GLU 8 HB2 GLU 8 8.690 19.220 2.138 54 HB3 GLU 8 HB1 GLU 8 8.804 20.964 2.350 55 HG2 GLU 8 HG2 GLU 8 6.324 21.106 1.895 56 HG3 GLU 8 HG1 GLU 8 6.275 19.345 1.911 57 H MET 9 HN MET 9 9.632 22.313 -0.558 58 HA MET 9 HA MET 9 12.284 21.146 -0.203 59 HB2 MET 9 HB2 MET 9 11.103 20.311 -2.480 60 HB3 MET 9 HB1 MET 9 11.634 21.886 -3.058 61 HG2 MET 9 HG2 MET 9 13.364 20.255 -3.519 62 HG3 MET 9 HG1 MET 9 13.928 21.381 -2.313 63 HE1 MET 9 HE1 MET 9 16.043 18.816 -0.920 64 HE2 MET 9 HE2 MET 9 15.518 20.421 -0.416 65 HE3 MET 9 HE3 MET 9 15.842 20.094 -2.118 66 H GLU 10 HN GLU 10 13.700 22.733 0.117 67 HA GLU 10 HA GLU 10 12.784 25.488 -0.078 68 HB2 GLU 10 HB2 GLU 10 15.443 24.199 0.679 69 HB3 GLU 10 HB1 GLU 10 15.189 25.941 0.715 70 HG2 GLU 10 HG2 GLU 10 13.566 25.788 2.432 71 HG3 GLU 10 HG1 GLU 10 13.299 24.069 2.149 72 H GLY 11 HN GLY 11 13.833 27.164 -1.262 73 HA2 GLY 11 HA2 GLY 11 15.707 26.450 -3.395 74 HA3 GLY 11 HA1 GLY 11 14.081 26.807 -3.987 75 H THR 12 HN THR 12 15.962 28.467 -4.879 76 HA THR 12 HA THR 12 15.864 30.865 -3.080 77 HB THR 12 HB THR 12 17.592 30.887 -5.555 78 HG1 THR 12 HG1 THR 12 17.478 28.852 -3.760 79 HG21 THR 12 HG21 THR 12 19.275 31.614 -3.765 80 HG22 THR 12 HG22 THR 12 18.014 31.406 -2.553 81 HG23 THR 12 HG23 THR 12 17.849 32.646 -3.793 82 H VAL 13 HN VAL 13 15.322 32.889 -3.991 83 HA VAL 13 HA VAL 13 13.480 32.585 -6.400 84 HB VAL 13 HB VAL 13 13.745 34.934 -4.436 85 HG11 VAL 13 HG11 VAL 13 12.141 34.385 -6.867 86 HG12 VAL 13 HG12 VAL 13 12.567 35.919 -6.114 87 HG13 VAL 13 HG13 VAL 13 11.211 34.981 -5.496 88 HG21 VAL 13 HG21 VAL 13 11.742 33.997 -3.349 89 HG22 VAL 13 HG22 VAL 13 12.979 32.742 -3.389 90 HG23 VAL 13 HG23 VAL 13 11.647 32.707 -4.536 91 H VAL 14 HN VAL 14 14.646 33.028 -8.303 92 HA VAL 14 HA VAL 14 15.755 35.761 -8.405 93 HB VAL 14 HB VAL 14 17.430 33.820 -9.833 94 HG11 VAL 14 HG11 VAL 14 19.195 35.142 -8.941 95 HG12 VAL 14 HG12 VAL 14 18.206 35.660 -7.580 96 HG13 VAL 14 HG13 VAL 14 17.873 36.276 -9.195 97 HG21 VAL 14 HG21 VAL 14 17.247 33.603 -6.828 98 HG22 VAL 14 HG22 VAL 14 18.482 32.839 -7.822 99 HG23 VAL 14 HG23 VAL 14 16.797 32.347 -7.973 100 H ASP 15 HN ASP 15 13.920 36.027 -9.484 101 HA ASP 15 HA ASP 15 14.055 36.330 -12.274 102 HB2 ASP 15 HB2 ASP 15 13.698 33.788 -12.215 103 HB3 ASP 15 HB1 ASP 15 12.161 34.114 -11.461 104 H THR 16 HN THR 16 12.440 37.746 -12.860 105 HA THR 16 HA THR 16 10.317 38.194 -10.771 106 HB THR 16 HB THR 16 11.789 40.175 -10.871 107 HG1 THR 16 HG1 THR 16 9.282 40.120 -12.015 108 HG21 THR 16 HG21 THR 16 12.156 39.367 -13.591 109 HG22 THR 16 HG22 THR 16 12.815 40.826 -12.857 110 HG23 THR 16 HG23 THR 16 11.261 40.881 -13.685 111 H LEU 17 HN LEU 17 8.563 37.236 -11.505 112 HA LEU 17 HA LEU 17 7.901 37.392 -14.360 113 HB2 LEU 17 HB2 LEU 17 6.754 35.922 -11.986 114 HB3 LEU 17 HB1 LEU 17 5.962 35.896 -13.543 115 HG LEU 17 HG LEU 17 8.891 35.300 -13.412 116 HD11 LEU 17 HD21 LEU 17 8.420 32.968 -12.965 117 HD12 LEU 17 HD22 LEU 17 6.700 33.313 -12.855 118 HD13 LEU 17 HD23 LEU 17 7.801 33.953 -11.645 119 HD21 LEU 17 HD11 LEU 17 8.496 34.226 -15.446 120 HD22 LEU 17 HD12 LEU 17 7.288 35.506 -15.508 121 HD23 LEU 17 HD13 LEU 17 6.816 33.873 -15.049 122 HA PRO 18 HA PRO 18 4.783 40.430 -13.480 123 HB2 PRO 18 HB2 PRO 18 2.924 39.881 -15.510 124 HB3 PRO 18 HB1 PRO 18 4.457 40.716 -15.776 125 HG2 PRO 18 HG2 PRO 18 3.688 38.015 -16.646 126 HG3 PRO 18 HG1 PRO 18 5.135 38.927 -17.078 127 HD2 PRO 18 HD1 PRO 18 4.853 36.777 -15.109 128 HD3 PRO 18 HD2 PRO 18 6.333 37.539 -15.705 129 H ASN 19 HN ASN 19 2.638 40.870 -12.798 130 HA ASN 19 HA ASN 19 0.526 40.403 -11.892 131 HB2 ASN 19 HB2 ASN 19 0.873 37.424 -12.308 132 HB3 ASN 19 HB1 ASN 19 -0.578 38.403 -12.468 133 HD21 ASN 19 HD21 ASN 19 0.904 36.520 -14.430 134 HD22 ASN 19 HD22 ASN 19 1.056 37.454 -15.840 135 H THR 20 HN THR 20 3.215 40.228 -10.672 136 HA THR 20 HA THR 20 3.997 39.958 -8.490 137 HB THR 20 HB THR 20 1.419 38.566 -7.639 138 HG1 THR 20 HG1 THR 20 1.689 40.885 -9.050 139 HG21 THR 20 HG21 THR 20 3.092 39.293 -5.906 140 HG22 THR 20 HG22 THR 20 1.659 40.307 -5.800 141 HG23 THR 20 HG23 THR 20 3.109 40.914 -6.592 142 H MET 21 HN MET 21 5.061 38.226 -10.088 143 HA MET 21 HA MET 21 4.942 35.664 -8.525 144 HB2 MET 21 HB2 MET 21 4.617 36.051 -11.530 145 HB3 MET 21 HB1 MET 21 5.256 34.541 -10.891 146 HG2 MET 21 HG2 MET 21 3.228 34.462 -9.380 147 HG3 MET 21 HG1 MET 21 2.586 35.811 -10.280 148 HE1 MET 21 HE1 MET 21 1.105 32.972 -9.704 149 HE2 MET 21 HE2 MET 21 0.195 33.013 -11.213 150 HE3 MET 21 HE3 MET 21 0.491 34.506 -10.321 151 H PHE 22 HN PHE 22 6.828 34.235 -9.056 152 HA PHE 22 HA PHE 22 9.140 35.617 -10.267 153 HB2 PHE 22 HB2 PHE 22 9.313 34.668 -7.364 154 HB3 PHE 22 HB1 PHE 22 10.411 35.749 -8.221 155 HD1 PHE 22 HD2 PHE 22 7.033 35.485 -6.702 156 HD2 PHE 22 HD1 PHE 22 9.915 38.111 -8.427 157 HE1 PHE 22 HE2 PHE 22 5.716 37.424 -5.966 158 HE2 PHE 22 HE1 PHE 22 8.586 40.042 -7.688 159 HZ PHE 22 HZ PHE 22 6.490 39.698 -6.459 160 H ARG 23 HN ARG 23 11.000 34.075 -10.392 161 HA ARG 23 HA ARG 23 9.948 31.281 -10.497 162 HB2 ARG 23 HB2 ARG 23 11.269 32.412 -12.479 163 HB3 ARG 23 HB1 ARG 23 12.684 32.085 -11.488 164 HG2 ARG 23 HG2 ARG 23 12.205 29.719 -11.425 165 HG3 ARG 23 HG1 ARG 23 10.685 29.961 -12.267 166 HD2 ARG 23 HD2 ARG 23 13.487 30.170 -13.338 167 HD3 ARG 23 HD1 ARG 23 12.095 29.339 -14.032 168 HE ARG 23 HE ARG 23 12.580 32.270 -14.152 169 HH11 ARG 23 HH11 ARG 23 10.324 29.742 -14.428 170 HH12 ARG 23 HH12 ARG 23 9.592 30.335 -15.881 171 HH21 ARG 23 HH21 ARG 23 11.897 32.958 -16.210 172 HH22 ARG 23 HH22 ARG 23 10.508 32.204 -16.918 173 H VAL 24 HN VAL 24 10.676 29.719 -9.281 174 HA VAL 24 HA VAL 24 12.714 30.518 -7.254 175 HB VAL 24 HB VAL 24 10.354 28.582 -7.297 176 HG11 VAL 24 HG21 VAL 24 12.897 28.336 -5.859 177 HG12 VAL 24 HG22 VAL 24 11.652 27.130 -6.151 178 HG13 VAL 24 HG23 VAL 24 11.478 28.273 -4.825 179 HG21 VAL 24 HG11 VAL 24 11.282 30.741 -5.388 180 HG22 VAL 24 HG12 VAL 24 9.811 29.801 -5.212 181 HG23 VAL 24 HG13 VAL 24 9.989 30.908 -6.565 182 H GLU 25 HN GLU 25 14.578 29.555 -7.419 183 HA GLU 25 HA GLU 25 14.831 27.386 -9.442 184 HB2 GLU 25 HB2 GLU 25 16.705 29.344 -8.073 185 HB3 GLU 25 HB1 GLU 25 17.378 27.866 -8.752 186 HG2 GLU 25 HG2 GLU 25 16.246 28.409 -10.927 187 HG3 GLU 25 HG1 GLU 25 15.724 29.941 -10.234 188 H LEU 26 HN LEU 26 14.987 25.487 -8.959 189 HA LEU 26 HA LEU 26 15.904 24.545 -6.315 190 HB2 LEU 26 HB2 LEU 26 13.880 23.338 -8.295 191 HB3 LEU 26 HB1 LEU 26 14.491 22.477 -6.896 192 HG LEU 26 HG LEU 26 13.233 25.209 -6.624 193 HD11 LEU 26 HD21 LEU 26 11.853 23.024 -7.639 194 HD12 LEU 26 HD22 LEU 26 11.123 24.386 -6.803 195 HD13 LEU 26 HD23 LEU 26 11.530 22.922 -5.915 196 HD21 LEU 26 HD11 LEU 26 14.528 24.258 -4.710 197 HD22 LEU 26 HD12 LEU 26 13.494 22.839 -4.732 198 HD23 LEU 26 HD13 LEU 26 12.826 24.414 -4.321 199 H GLU 27 HN GLU 27 17.399 25.503 -8.383 200 HA GLU 27 HA GLU 27 18.381 24.052 -10.448 201 HB2 GLU 27 HB2 GLU 27 20.649 24.964 -9.851 202 HB3 GLU 27 HB1 GLU 27 19.387 26.180 -9.697 203 HG2 GLU 27 HG2 GLU 27 20.118 24.493 -7.315 204 HG3 GLU 27 HG1 GLU 27 21.125 25.873 -7.745 205 H ASN 28 HN ASN 28 18.136 22.838 -7.368 206 HA ASN 28 HA ASN 28 20.447 21.125 -7.459 207 HB2 ASN 28 HB2 ASN 28 18.689 21.702 -5.462 208 HB3 ASN 28 HB1 ASN 28 17.857 20.288 -6.106 209 HD21 ASN 28 HD21 ASN 28 20.196 21.208 -3.886 210 HD22 ASN 28 HD22 ASN 28 21.023 19.733 -3.746 211 H GLY 29 HN GLY 29 18.696 21.543 -9.793 212 HA2 GLY 29 HA2 GLY 29 18.675 19.867 -11.598 213 HA3 GLY 29 HA1 GLY 29 17.953 18.761 -10.436 214 H HIS 30 HN HIS 30 16.328 21.414 -9.506 215 HA HIS 30 HA HIS 30 14.303 21.213 -11.730 216 HB2 HIS 30 HB2 HIS 30 13.946 21.028 -8.730 217 HB3 HIS 30 HB1 HIS 30 12.611 21.558 -9.751 218 HD1 HIS 30 HD1 HIS 30 14.566 19.264 -11.543 219 HD2 HIS 30 HD2 HIS 30 11.609 18.887 -8.794 220 HE1 HIS 30 HE1 HIS 30 13.778 16.989 -11.798 221 H VAL 31 HN VAL 31 12.873 22.940 -12.036 222 HA VAL 31 HA VAL 31 13.651 25.589 -10.793 223 HB VAL 31 HB VAL 31 14.205 24.812 -13.476 224 HG11 VAL 31 HG21 VAL 31 11.798 24.900 -14.059 225 HG12 VAL 31 HG22 VAL 31 12.685 26.183 -14.875 226 HG13 VAL 31 HG23 VAL 31 11.709 26.555 -13.459 227 HG21 VAL 31 HG11 VAL 31 13.785 27.533 -12.208 228 HG22 VAL 31 HG12 VAL 31 14.518 27.317 -13.794 229 HG23 VAL 31 HG13 VAL 31 15.299 26.648 -12.364 230 H VAL 32 HN VAL 32 11.748 26.878 -10.286 231 HA VAL 32 HA VAL 32 9.162 25.975 -11.409 232 HB VAL 32 HB VAL 32 9.564 26.191 -8.471 233 HG11 VAL 32 HG21 VAL 32 7.409 24.704 -8.723 234 HG12 VAL 32 HG22 VAL 32 7.339 25.491 -10.293 235 HG13 VAL 32 HG23 VAL 32 7.306 26.458 -8.824 236 HG21 VAL 32 HG11 VAL 32 10.890 24.296 -9.253 237 HG22 VAL 32 HG12 VAL 32 9.524 23.735 -10.215 238 HG23 VAL 32 HG13 VAL 32 9.436 23.695 -8.463 239 H THR 33 HN THR 33 7.390 27.225 -10.335 240 HA THR 33 HA THR 33 8.224 30.070 -10.163 241 HB THR 33 HB THR 33 5.526 29.174 -11.179 242 HG1 THR 33 HG1 THR 33 8.073 29.050 -12.333 243 HG21 THR 33 HG21 THR 33 6.098 31.223 -12.709 244 HG22 THR 33 HG22 THR 33 7.422 31.535 -11.590 245 HG23 THR 33 HG23 THR 33 5.755 31.599 -11.025 246 H ALA 34 HN ALA 34 7.783 30.989 -8.279 247 HA ALA 34 HA ALA 34 5.452 29.867 -6.762 248 HB1 ALA 34 HB1 ALA 34 6.723 30.095 -4.713 249 HB2 ALA 34 HB2 ALA 34 7.995 31.004 -5.526 250 HB3 ALA 34 HB3 ALA 34 7.788 29.286 -5.855 251 H HIS 35 HN HIS 35 4.782 31.418 -5.005 252 HA HIS 35 HA HIS 35 5.151 34.256 -5.822 253 HB2 HIS 35 HB2 HIS 35 3.096 34.139 -6.900 254 HB3 HIS 35 HB1 HIS 35 2.707 32.581 -6.182 255 HD1 HIS 35 HD1 HIS 35 1.499 32.731 -3.923 256 HD2 HIS 35 HD2 HIS 35 2.081 36.391 -5.567 257 HE1 HIS 35 HE1 HIS 35 0.055 34.208 -2.657 258 H ILE 36 HN ILE 36 4.915 35.663 -4.114 259 HA ILE 36 HA ILE 36 4.714 34.372 -1.436 260 HB ILE 36 HB ILE 36 6.725 35.775 -1.976 261 HG12 ILE 36 HG12 ILE 36 4.830 36.966 0.077 262 HG13 ILE 36 HG11 ILE 36 6.003 35.684 0.351 263 HG21 ILE 36 HG21 ILE 36 5.102 37.338 -3.435 264 HG22 ILE 36 HG22 ILE 36 6.523 38.031 -2.661 265 HG23 ILE 36 HG23 ILE 36 4.937 38.221 -1.921 266 HD11 ILE 36 HD11 ILE 36 7.773 37.371 -0.493 267 HD12 ILE 36 HD12 ILE 36 7.097 37.657 1.108 268 HD13 ILE 36 HD13 ILE 36 6.530 38.597 -0.268 269 H SER 37 HN SER 37 3.069 34.807 -0.083 270 HA SER 37 HA SER 37 0.614 35.809 -0.875 271 HB2 SER 37 HB2 SER 37 0.268 36.330 1.633 272 HB3 SER 37 HB1 SER 37 0.906 34.704 1.322 273 HG SER 37 HG SER 37 2.672 35.284 2.284 274 H GLY 38 HN GLY 38 -0.448 37.788 -0.758 275 HA2 GLY 38 HA2 GLY 38 1.160 40.097 -1.368 276 HA3 GLY 38 HA1 GLY 38 -0.579 40.112 -1.095 277 H LYS 39 HN LYS 39 0.333 38.664 1.572 278 HA LYS 39 HA LYS 39 -0.016 40.929 3.255 279 HB2 LYS 39 HB2 LYS 39 1.286 38.222 3.835 280 HB3 LYS 39 HB1 LYS 39 0.782 39.367 5.073 281 HG2 LYS 39 HG2 LYS 39 -1.551 39.258 4.135 282 HG3 LYS 39 HG1 LYS 39 -1.006 37.989 3.044 283 HD2 LYS 39 HD2 LYS 39 -0.504 36.511 4.859 284 HD3 LYS 39 HD1 LYS 39 -0.644 37.805 6.044 285 HE2 LYS 39 HE2 LYS 39 -3.024 37.972 5.697 286 HE3 LYS 39 HE1 LYS 39 -2.955 36.907 4.300 287 HZ1 LYS 39 HZ1 LYS 39 -2.026 35.206 5.931 288 HZ2 LYS 39 HZ2 LYS 39 -3.687 35.555 6.011 289 HZ3 LYS 39 HZ3 LYS 39 -2.620 36.229 7.149 290 H MET 40 HN MET 40 2.951 39.038 2.664 291 HA MET 40 HA MET 40 4.713 40.706 4.097 292 HB2 MET 40 HB2 MET 40 5.318 39.249 1.477 293 HB3 MET 40 HB1 MET 40 6.483 39.681 2.724 294 HG2 MET 40 HG2 MET 40 4.101 37.900 3.235 295 HG3 MET 40 HG1 MET 40 5.644 37.269 2.724 296 HE1 MET 40 HE1 MET 40 4.125 37.670 6.793 297 HE2 MET 40 HE2 MET 40 3.520 36.968 5.292 298 HE3 MET 40 HE3 MET 40 3.480 38.716 5.529 299 H ARG 41 HN ARG 41 3.364 41.092 0.890 300 HA ARG 41 HA ARG 41 5.159 43.198 0.085 301 HB2 ARG 41 HB2 ARG 41 2.391 42.324 -0.861 302 HB3 ARG 41 HB1 ARG 41 3.292 43.620 -1.640 303 HG2 ARG 41 HG2 ARG 41 5.176 41.591 -1.451 304 HG3 ARG 41 HG1 ARG 41 3.692 40.713 -1.804 305 HD2 ARG 41 HD2 ARG 41 4.824 41.395 -3.900 306 HD3 ARG 41 HD1 ARG 41 3.271 42.215 -3.737 307 HE ARG 41 HE ARG 41 4.552 44.230 -2.969 308 HH11 ARG 41 HH21 ARG 41 6.705 41.727 -3.414 309 HH12 ARG 41 HH22 ARG 41 7.822 42.603 -4.406 310 HH21 ARG 41 HH11 ARG 41 5.692 45.367 -4.716 311 HH22 ARG 41 HH12 ARG 41 7.234 44.718 -5.166 312 H LYS 42 HN LYS 42 1.916 43.127 1.481 313 HA LYS 42 HA LYS 42 1.744 46.030 1.554 314 HB2 LYS 42 HB2 LYS 42 0.042 43.701 2.443 315 HB3 LYS 42 HB1 LYS 42 -0.284 45.280 3.148 316 HG2 LYS 42 HG2 LYS 42 -0.556 46.252 0.913 317 HG3 LYS 42 HG1 LYS 42 -0.142 44.713 0.169 318 HD2 LYS 42 HD2 LYS 42 -2.407 44.394 0.166 319 HD3 LYS 42 HD1 LYS 42 -2.150 43.934 1.845 320 HE2 LYS 42 HE2 LYS 42 -2.610 46.231 2.574 321 HE3 LYS 42 HE1 LYS 42 -2.777 46.752 0.901 322 HZ1 LYS 42 HZ1 LYS 42 -4.854 46.140 2.312 323 HZ2 LYS 42 HZ2 LYS 42 -4.452 44.550 1.869 324 HZ3 LYS 42 HZ3 LYS 42 -4.773 45.711 0.671 325 H ASN 43 HN ASN 43 3.349 43.766 3.403 326 HA ASN 43 HA ASN 43 3.215 45.499 5.851 327 HB2 ASN 43 HB2 ASN 43 3.900 42.541 5.501 328 HB3 ASN 43 HB1 ASN 43 4.062 43.406 7.029 329 HD21 ASN 43 HD21 ASN 43 1.506 44.906 5.635 330 HD22 ASN 43 HD22 ASN 43 0.230 43.949 6.218 331 H TYR 44 HN TYR 44 5.188 44.553 3.285 332 HA TYR 44 HA TYR 44 7.429 45.979 4.463 333 HB2 TYR 44 HB2 TYR 44 7.504 42.975 3.960 334 HB3 TYR 44 HB1 TYR 44 8.980 43.937 4.012 335 HD1 TYR 44 HD2 TYR 44 9.083 45.606 6.121 336 HD2 TYR 44 HD1 TYR 44 6.792 42.026 5.977 337 HE1 TYR 44 HE2 TYR 44 9.049 45.529 8.572 338 HE2 TYR 44 HE1 TYR 44 6.757 41.949 8.429 339 HH TYR 44 HH TYR 44 7.686 44.573 10.366 340 H ILE 45 HN ILE 45 8.780 46.805 2.949 341 HA ILE 45 HA ILE 45 7.936 47.107 0.323 342 HB ILE 45 HB ILE 45 9.922 48.154 1.876 343 HG12 ILE 45 HG12 ILE 45 9.806 48.130 -1.144 344 HG13 ILE 45 HG11 ILE 45 8.940 49.214 -0.065 345 HG21 ILE 45 HG21 ILE 45 11.230 45.895 1.242 346 HG22 ILE 45 HG22 ILE 45 12.099 47.423 1.234 347 HG23 ILE 45 HG23 ILE 45 11.532 46.728 -0.282 348 HD11 ILE 45 HD11 ILE 45 11.067 50.135 0.759 349 HD12 ILE 45 HD12 ILE 45 10.997 50.278 -0.995 350 HD13 ILE 45 HD13 ILE 45 11.967 49.011 -0.253 351 H ARG 46 HN ARG 46 9.378 46.448 -1.609 352 HA ARG 46 HA ARG 46 9.177 43.578 -1.846 353 HB2 ARG 46 HB2 ARG 46 8.868 44.838 -3.868 354 HB3 ARG 46 HB1 ARG 46 10.312 45.804 -3.585 355 HG2 ARG 46 HG2 ARG 46 11.755 43.934 -4.055 356 HG3 ARG 46 HG1 ARG 46 10.401 42.810 -4.044 357 HD2 ARG 46 HD2 ARG 46 10.529 43.127 -6.324 358 HD3 ARG 46 HD1 ARG 46 9.526 44.526 -5.944 359 HE ARG 46 HE ARG 46 12.195 45.381 -5.669 360 HH11 ARG 46 HH11 ARG 46 9.659 45.334 -7.796 361 HH12 ARG 46 HH12 ARG 46 10.590 45.567 -9.237 362 HH21 ARG 46 HH21 ARG 46 13.646 45.130 -7.577 363 HH22 ARG 46 HH22 ARG 46 12.907 45.450 -9.111 364 H ILE 47 HN ILE 47 10.671 42.060 -1.472 365 HA ILE 47 HA ILE 47 13.261 42.910 -0.393 366 HB ILE 47 HB ILE 47 11.991 41.013 0.619 367 HG12 ILE 47 HG12 ILE 47 14.347 39.677 -0.621 368 HG13 ILE 47 HG11 ILE 47 14.646 41.159 0.269 369 HG21 ILE 47 HG21 ILE 47 12.611 39.602 -2.032 370 HG22 ILE 47 HG22 ILE 47 11.020 40.214 -1.595 371 HG23 ILE 47 HG23 ILE 47 11.746 38.908 -0.665 372 HD11 ILE 47 HD11 ILE 47 13.399 40.206 2.210 373 HD12 ILE 47 HD12 ILE 47 14.814 39.247 1.791 374 HD13 ILE 47 HD13 ILE 47 13.210 38.699 1.318 375 H LEU 48 HN LEU 48 15.270 42.418 -1.262 376 HA LEU 48 HA LEU 48 15.503 42.599 -4.080 377 HB2 LEU 48 HB2 LEU 48 17.875 42.406 -3.727 378 HB3 LEU 48 HB1 LEU 48 17.269 43.149 -2.255 379 HG LEU 48 HG LEU 48 17.706 40.161 -2.543 380 HD11 LEU 48 HD11 LEU 48 19.869 41.212 -2.760 381 HD12 LEU 48 HD12 LEU 48 19.736 40.633 -1.102 382 HD13 LEU 48 HD13 LEU 48 19.505 42.342 -1.458 383 HD21 LEU 48 HD21 LEU 48 17.906 40.873 0.109 384 HD22 LEU 48 HD22 LEU 48 16.452 40.233 -0.643 385 HD23 LEU 48 HD23 LEU 48 16.661 41.970 -0.470 386 H THR 49 HN THR 49 16.407 41.106 -5.585 387 HA THR 49 HA THR 49 15.032 38.576 -5.637 388 HB THR 49 HB THR 49 15.870 39.791 -7.705 389 HG1 THR 49 HG1 THR 49 15.776 37.325 -7.201 390 HG21 THR 49 HG21 THR 49 18.323 39.919 -6.295 391 HG22 THR 49 HG22 THR 49 18.138 40.238 -8.016 392 HG23 THR 49 HG23 THR 49 18.590 38.627 -7.462 393 H GLY 50 HN GLY 50 15.745 36.628 -5.597 394 HA2 GLY 50 HA2 GLY 50 16.987 34.744 -4.981 395 HA3 GLY 50 HA1 GLY 50 18.342 35.799 -4.612 396 H ASP 51 HN ASP 51 15.237 34.741 -3.564 397 HA ASP 51 HA ASP 51 15.931 35.445 -0.764 398 HB2 ASP 51 HB2 ASP 51 13.232 34.690 -1.970 399 HB3 ASP 51 HB1 ASP 51 13.506 35.319 -0.355 400 H LYS 52 HN LYS 52 16.593 33.683 0.449 401 HA LYS 52 HA LYS 52 16.164 31.088 -0.841 402 HB2 LYS 52 HB2 LYS 52 17.396 32.090 1.777 403 HB3 LYS 52 HB1 LYS 52 16.938 30.393 1.687 404 HG2 LYS 52 HG2 LYS 52 18.319 30.123 -0.346 405 HG3 LYS 52 HG1 LYS 52 18.752 31.829 -0.287 406 HD2 LYS 52 HD2 LYS 52 20.555 30.536 0.720 407 HD3 LYS 52 HD1 LYS 52 19.743 31.442 1.990 408 HE2 LYS 52 HE2 LYS 52 20.232 28.939 2.444 409 HE3 LYS 52 HE1 LYS 52 18.611 29.518 2.798 410 HZ1 LYS 52 HZ1 LYS 52 17.733 28.458 0.988 411 HZ2 LYS 52 HZ2 LYS 52 18.956 27.365 1.430 412 HZ3 LYS 52 HZ3 LYS 52 19.201 28.436 0.134 413 H VAL 53 HN VAL 53 14.151 30.200 -0.792 414 HA VAL 53 HA VAL 53 12.498 30.698 1.659 415 HB VAL 53 HB VAL 53 10.543 30.981 0.218 416 HG11 VAL 53 HG21 VAL 53 12.637 32.766 0.442 417 HG12 VAL 53 HG22 VAL 53 11.076 33.155 -0.260 418 HG13 VAL 53 HG23 VAL 53 12.421 32.690 -1.290 419 HG21 VAL 53 HG11 VAL 53 12.486 29.892 -1.764 420 HG22 VAL 53 HG12 VAL 53 11.398 31.132 -2.373 421 HG23 VAL 53 HG13 VAL 53 10.746 29.657 -1.665 422 H ARG 54 HN ARG 54 10.572 29.332 1.885 423 HA ARG 54 HA ARG 54 11.417 26.531 1.255 424 HB2 ARG 54 HB2 ARG 54 10.717 27.182 3.614 425 HB3 ARG 54 HB1 ARG 54 9.115 27.557 2.992 426 HG2 ARG 54 HG2 ARG 54 8.877 25.235 2.193 427 HG3 ARG 54 HG1 ARG 54 10.490 24.861 2.791 428 HD2 ARG 54 HD2 ARG 54 8.452 26.038 4.668 429 HD3 ARG 54 HD1 ARG 54 8.404 24.315 4.300 430 HE ARG 54 HE ARG 54 11.013 24.606 4.966 431 HH11 ARG 54 HH21 ARG 54 8.161 24.400 6.595 432 HH12 ARG 54 HH22 ARG 54 8.719 25.056 8.096 433 HH21 ARG 54 HH11 ARG 54 11.785 26.082 6.741 434 HH22 ARG 54 HH12 ARG 54 10.825 26.032 8.184 435 H VAL 55 HN VAL 55 10.587 25.656 -0.510 436 HA VAL 55 HA VAL 55 8.117 26.813 -1.621 437 HB VAL 55 HB VAL 55 9.728 24.738 -3.073 438 HG11 VAL 55 HG11 VAL 55 8.513 27.396 -3.908 439 HG12 VAL 55 HG12 VAL 55 7.709 25.834 -4.053 440 HG13 VAL 55 HG13 VAL 55 9.166 26.166 -4.986 441 HG21 VAL 55 HG21 VAL 55 11.416 26.268 -1.988 442 HG22 VAL 55 HG22 VAL 55 10.632 27.631 -2.774 443 HG23 VAL 55 HG23 VAL 55 11.412 26.383 -3.739 444 H GLU 56 HN GLU 56 6.398 25.648 -2.215 445 HA GLU 56 HA GLU 56 6.301 22.811 -1.313 446 HB2 GLU 56 HB2 GLU 56 4.872 23.713 0.301 447 HB3 GLU 56 HB1 GLU 56 4.582 25.167 -0.635 448 HG2 GLU 56 HG2 GLU 56 2.543 23.758 -0.440 449 HG3 GLU 56 HG1 GLU 56 3.049 23.946 -2.115 450 H LEU 57 HN LEU 57 5.640 21.495 -2.885 451 HA LEU 57 HA LEU 57 4.833 22.776 -5.426 452 HB2 LEU 57 HB2 LEU 57 5.563 19.897 -4.684 453 HB3 LEU 57 HB1 LEU 57 5.164 20.419 -6.316 454 HG LEU 57 HG LEU 57 7.371 21.739 -4.695 455 HD11 LEU 57 HD11 LEU 57 8.392 20.050 -6.783 456 HD12 LEU 57 HD12 LEU 57 7.331 19.078 -5.772 457 HD13 LEU 57 HD13 LEU 57 8.688 19.932 -5.054 458 HD21 LEU 57 HD21 LEU 57 6.505 21.700 -7.600 459 HD22 LEU 57 HD22 LEU 57 8.118 22.221 -7.122 460 HD23 LEU 57 HD23 LEU 57 6.703 23.092 -6.542 461 H THR 58 HN THR 58 2.890 22.766 -6.204 462 HA THR 58 HA THR 58 0.644 21.870 -4.612 463 HB THR 58 HB THR 58 -0.631 22.694 -6.632 464 HG1 THR 58 HG1 THR 58 1.207 23.340 -8.268 465 HG21 THR 58 HG21 THR 58 0.526 24.485 -5.260 466 HG22 THR 58 HG22 THR 58 0.593 24.893 -6.970 467 HG23 THR 58 HG23 THR 58 2.007 24.210 -6.174 468 HA PRO 59 HA PRO 59 -0.059 17.694 -5.581 469 HB2 PRO 59 HB2 PRO 59 -2.663 18.286 -6.879 470 HB3 PRO 59 HB1 PRO 59 -2.342 17.339 -5.425 471 HG2 PRO 59 HG2 PRO 59 -3.377 20.010 -5.522 472 HG3 PRO 59 HG1 PRO 59 -2.863 19.139 -4.075 473 HD2 PRO 59 HD1 PRO 59 -1.555 21.380 -5.308 474 HD3 PRO 59 HD2 PRO 59 -0.996 20.467 -3.907 475 H TYR 60 HN TYR 60 -0.518 20.156 -7.997 476 HA TYR 60 HA TYR 60 -0.485 18.310 -10.260 477 HB2 TYR 60 HB2 TYR 60 0.385 21.209 -10.472 478 HB3 TYR 60 HB1 TYR 60 -0.645 20.286 -11.562 479 HD1 TYR 60 HD2 TYR 60 -2.512 19.110 -9.469 480 HD2 TYR 60 HD1 TYR 60 -1.069 23.078 -10.007 481 HE1 TYR 60 HE2 TYR 60 -4.502 19.988 -8.337 482 HE2 TYR 60 HE1 TYR 60 -3.063 23.955 -8.879 483 HH TYR 60 HH TYR 60 -5.644 22.847 -8.585 484 H ASP 61 HN ASP 61 1.771 20.176 -8.406 485 HA ASP 61 HA ASP 61 4.096 20.425 -8.536 486 HB2 ASP 61 HB2 ASP 61 3.381 18.008 -7.643 487 HB3 ASP 61 HB1 ASP 61 4.172 17.464 -9.120 488 H LEU 62 HN LEU 62 3.198 21.150 -11.026 489 HA LEU 62 HA LEU 62 4.932 19.646 -12.903 490 HB2 LEU 62 HB2 LEU 62 3.496 21.684 -14.284 491 HB3 LEU 62 HB1 LEU 62 3.188 19.954 -14.335 492 HG LEU 62 HG LEU 62 1.899 20.308 -12.129 493 HD11 LEU 62 HD11 LEU 62 2.619 22.555 -11.550 494 HD12 LEU 62 HD12 LEU 62 0.931 22.675 -12.022 495 HD13 LEU 62 HD13 LEU 62 2.194 23.155 -13.146 496 HD21 LEU 62 HD21 LEU 62 0.564 19.775 -13.939 497 HD22 LEU 62 HD22 LEU 62 1.115 21.155 -14.882 498 HD23 LEU 62 HD23 LEU 62 -0.031 21.389 -13.568 499 H SER 63 HN SER 63 3.931 23.031 -12.599 500 HA SER 63 HA SER 63 6.804 23.836 -12.655 501 HB2 SER 63 HB2 SER 63 5.449 23.903 -14.982 502 HB3 SER 63 HB1 SER 63 4.819 25.419 -14.311 503 HG SER 63 HG SER 63 7.560 24.733 -14.215 504 H LYS 64 HN LYS 64 4.119 23.964 -10.879 505 HA LYS 64 HA LYS 64 4.702 26.783 -10.018 506 HB2 LYS 64 HB2 LYS 64 1.965 25.427 -9.887 507 HB3 LYS 64 HB1 LYS 64 2.321 27.123 -9.594 508 HG2 LYS 64 HG2 LYS 64 3.061 25.942 -12.254 509 HG3 LYS 64 HG1 LYS 64 1.375 26.335 -11.945 510 HD2 LYS 64 HD2 LYS 64 3.521 28.338 -11.316 511 HD3 LYS 64 HD1 LYS 64 2.940 28.170 -12.966 512 HE2 LYS 64 HE2 LYS 64 0.888 28.368 -10.797 513 HE3 LYS 64 HE1 LYS 64 1.768 29.834 -11.208 514 HZ1 LYS 64 HZ1 LYS 64 1.157 29.400 -13.563 515 HZ2 LYS 64 HZ2 LYS 64 -0.158 29.754 -12.549 516 HZ3 LYS 64 HZ3 LYS 64 0.142 28.150 -13.023 517 H GLY 65 HN GLY 65 4.583 27.294 -7.938 518 HA2 GLY 65 HA2 GLY 65 3.878 25.352 -5.861 519 HA3 GLY 65 HA1 GLY 65 5.601 25.747 -5.954 520 H ARG 66 HN ARG 66 4.835 26.573 -3.681 521 HA ARG 66 HA ARG 66 4.314 29.504 -4.060 522 HB2 ARG 66 HB2 ARG 66 2.940 29.240 -1.799 523 HB3 ARG 66 HB1 ARG 66 2.155 28.833 -3.320 524 HG2 ARG 66 HG2 ARG 66 2.698 26.463 -2.991 525 HG3 ARG 66 HG1 ARG 66 3.550 26.855 -1.505 526 HD2 ARG 66 HD2 ARG 66 0.598 27.329 -2.025 527 HD3 ARG 66 HD1 ARG 66 1.271 26.077 -0.984 528 HE ARG 66 HE ARG 66 1.829 28.946 -0.388 529 HH11 ARG 66 HH21 ARG 66 2.106 25.977 0.910 530 HH12 ARG 66 HH22 ARG 66 1.158 26.251 2.332 531 HH21 ARG 66 HH11 ARG 66 -0.073 29.318 1.160 532 HH22 ARG 66 HH12 ARG 66 -0.108 28.194 2.477 533 H ILE 67 HN ILE 67 4.981 30.824 -2.218 534 HA ILE 67 HA ILE 67 7.346 29.563 -0.883 535 HB ILE 67 HB ILE 67 6.554 32.380 -1.647 536 HG12 ILE 67 HG12 ILE 67 9.271 31.210 -1.965 537 HG13 ILE 67 HG11 ILE 67 7.998 30.577 -2.990 538 HG21 ILE 67 HG21 ILE 67 8.338 31.437 0.585 539 HG22 ILE 67 HG22 ILE 67 7.417 32.932 0.463 540 HG23 ILE 67 HG23 ILE 67 8.939 32.766 -0.398 541 HD11 ILE 67 HD11 ILE 67 8.637 33.535 -2.690 542 HD12 ILE 67 HD12 ILE 67 7.496 32.817 -3.824 543 HD13 ILE 67 HD13 ILE 67 9.223 32.529 -4.009 544 H THR 68 HN THR 68 7.579 29.563 1.330 545 HA THR 68 HA THR 68 5.906 31.119 3.022 546 HB THR 68 HB THR 68 4.971 28.874 4.107 547 HG1 THR 68 HG1 THR 68 4.682 27.399 2.255 548 HG21 THR 68 HG21 THR 68 3.710 30.675 2.518 549 HG22 THR 68 HG22 THR 68 2.947 29.134 2.880 550 HG23 THR 68 HG23 THR 68 3.794 29.354 1.354 551 H TYR 69 HN TYR 69 7.998 31.548 3.515 552 HA TYR 69 HA TYR 69 9.166 31.483 5.781 553 HB2 TYR 69 HB2 TYR 69 8.583 29.063 6.206 554 HB3 TYR 69 HB1 TYR 69 9.661 28.586 4.893 555 HD1 TYR 69 HD2 TYR 69 9.508 30.084 8.264 556 HD2 TYR 69 HD1 TYR 69 12.064 28.654 5.179 557 HE1 TYR 69 HE2 TYR 69 11.409 30.139 9.814 558 HE2 TYR 69 HE1 TYR 69 13.962 28.705 6.727 559 HH TYR 69 HH TYR 69 14.076 30.361 9.460 560 H ARG 70 HN ARG 70 11.049 32.502 5.523 561 HA ARG 70 HA ARG 70 12.922 31.489 3.540 562 HB2 ARG 70 HB2 ARG 70 13.073 33.673 2.359 563 HB3 ARG 70 HB1 ARG 70 11.452 32.989 2.234 564 HG2 ARG 70 HG2 ARG 70 10.804 34.355 4.246 565 HG3 ARG 70 HG1 ARG 70 12.381 35.132 4.159 566 HD2 ARG 70 HD2 ARG 70 11.659 35.495 1.609 567 HD3 ARG 70 HD1 ARG 70 10.043 35.378 2.303 568 HE ARG 70 HE ARG 70 11.816 37.622 2.595 569 HH11 ARG 70 HH11 ARG 70 8.770 37.336 2.954 570 HH12 ARG 70 HH12 ARG 70 8.598 37.805 4.612 571 HH21 ARG 70 HH21 ARG 70 12.024 37.465 5.269 572 HH22 ARG 70 HH22 ARG 70 10.490 37.883 5.957 573 H ALA 71 HN ALA 71 14.958 32.432 3.511 574 HA ALA 71 HA ALA 71 15.635 34.008 5.920 575 HB1 ALA 71 HB1 ALA 71 17.221 31.650 4.791 576 HB2 ALA 71 HB2 ALA 71 16.190 31.554 6.216 577 HB3 ALA 71 HB3 ALA 71 17.626 32.572 6.235 578 H ARG 72 HN ARG 72 17.583 35.249 5.703 579 HA ARG 72 HA ARG 72 17.802 36.631 3.267 580 HB2 ARG 72 HB2 ARG 72 19.514 37.830 4.326 581 HB3 ARG 72 HB1 ARG 72 18.816 37.052 5.738 582 HG2 ARG 72 HG2 ARG 72 21.203 35.988 4.165 583 HG3 ARG 72 HG1 ARG 72 21.298 36.836 5.695 584 HD2 ARG 72 HD2 ARG 72 19.727 35.023 6.634 585 HD3 ARG 72 HD1 ARG 72 20.081 34.115 5.165 586 HE ARG 72 HE ARG 72 22.536 34.988 6.374 587 HH11 ARG 72 HH21 ARG 72 21.536 32.227 5.344 588 HH12 ARG 72 HH22 ARG 72 21.735 31.276 6.777 589 HH21 ARG 72 HH11 ARG 72 22.094 34.088 8.838 590 HH22 ARG 72 HH12 ARG 72 22.059 32.357 8.806 Start of MODEL 13 1 HA MET 1 HA MET 1 4.141 4.216 -7.615 2 HB2 MET 1 HB2 MET 1 7.053 3.645 -6.864 3 HB3 MET 1 HB1 MET 1 5.625 2.935 -6.120 4 HG2 MET 1 HG2 MET 1 6.708 2.507 -8.896 5 HG3 MET 1 HG1 MET 1 6.440 1.314 -7.652 6 HE1 MET 1 HE1 MET 1 3.417 2.078 -6.712 7 HE2 MET 1 HE2 MET 1 4.269 0.537 -6.814 8 HE3 MET 1 HE3 MET 1 2.700 0.732 -7.597 9 H SER 2 HN SER 2 3.436 6.175 -6.854 10 HA SER 2 HA SER 2 5.026 7.271 -4.618 11 HB2 SER 2 HB2 SER 2 5.711 8.631 -6.619 12 HB3 SER 2 HB1 SER 2 4.007 9.016 -6.929 13 HG SER 2 HG SER 2 5.633 9.714 -4.734 14 H LYS 3 HN LYS 3 3.610 7.114 -3.015 15 HA LYS 3 HA LYS 3 0.737 7.631 -3.550 16 HB2 LYS 3 HB2 LYS 3 2.159 6.643 -1.027 17 HB3 LYS 3 HB1 LYS 3 0.416 6.663 -1.278 18 HG2 LYS 3 HG2 LYS 3 2.189 5.239 -3.251 19 HG3 LYS 3 HG1 LYS 3 1.754 4.446 -1.742 20 HD2 LYS 3 HD2 LYS 3 -0.311 5.697 -3.574 21 HD3 LYS 3 HD1 LYS 3 0.186 4.017 -3.725 22 HE2 LYS 3 HE2 LYS 3 -1.431 3.586 -2.185 23 HE3 LYS 3 HE1 LYS 3 -0.299 4.247 -1.012 24 HZ1 LYS 3 HZ1 LYS 3 -2.678 5.197 -1.182 25 HZ2 LYS 3 HZ2 LYS 3 -2.056 6.066 -2.504 26 HZ3 LYS 3 HZ3 LYS 3 -1.366 6.254 -0.963 27 H GLU 4 HN GLU 4 3.361 9.421 -2.708 28 HA GLU 4 HA GLU 4 2.164 11.006 -0.567 29 HB2 GLU 4 HB2 GLU 4 4.526 11.641 -2.407 30 HB3 GLU 4 HB1 GLU 4 4.164 12.442 -0.885 31 HG2 GLU 4 HG2 GLU 4 4.457 10.293 0.316 32 HG3 GLU 4 HG1 GLU 4 4.827 9.494 -1.210 33 H ASP 5 HN ASP 5 2.012 13.440 -0.884 34 HA ASP 5 HA ASP 5 0.560 13.974 -3.453 35 HB2 ASP 5 HB2 ASP 5 -0.505 15.852 -1.975 36 HB3 ASP 5 HB1 ASP 5 -0.985 14.194 -1.623 37 H SER 6 HN SER 6 0.878 16.755 -1.674 38 HA SER 6 HA SER 6 2.484 18.061 -3.613 39 HB2 SER 6 HB2 SER 6 2.705 19.847 -1.826 40 HB3 SER 6 HB1 SER 6 1.031 19.286 -1.993 41 HG SER 6 HG SER 6 1.285 17.980 -0.244 42 H PHE 7 HN PHE 7 4.514 19.419 -2.507 43 HA PHE 7 HA PHE 7 6.267 17.496 -1.097 44 HB2 PHE 7 HB2 PHE 7 6.419 17.100 -3.647 45 HB3 PHE 7 HB1 PHE 7 7.149 18.697 -3.755 46 HD1 PHE 7 HD2 PHE 7 7.531 15.363 -2.136 47 HD2 PHE 7 HD1 PHE 7 9.450 19.019 -3.199 48 HE1 PHE 7 HE2 PHE 7 9.701 14.423 -1.473 49 HE2 PHE 7 HE1 PHE 7 11.614 18.068 -2.538 50 HZ PHE 7 HZ PHE 7 11.742 15.775 -1.673 51 H GLU 8 HN GLU 8 7.804 18.447 0.106 52 HA GLU 8 HA GLU 8 7.895 21.431 0.045 53 HB2 GLU 8 HB2 GLU 8 7.206 20.288 2.185 54 HB3 GLU 8 HB1 GLU 8 8.756 19.457 2.221 55 HG2 GLU 8 HG2 GLU 8 9.657 21.982 1.952 56 HG3 GLU 8 HG1 GLU 8 8.132 22.327 2.761 57 H MET 9 HN MET 9 9.739 22.467 -0.427 58 HA MET 9 HA MET 9 12.348 21.198 -0.074 59 HB2 MET 9 HB2 MET 9 11.158 20.476 -2.389 60 HB3 MET 9 HB1 MET 9 11.777 22.038 -2.914 61 HG2 MET 9 HG2 MET 9 13.284 19.628 -1.952 62 HG3 MET 9 HG1 MET 9 13.515 20.540 -3.418 63 HE1 MET 9 HE1 MET 9 16.626 20.151 -1.190 64 HE2 MET 9 HE2 MET 9 16.565 20.711 -2.861 65 HE3 MET 9 HE3 MET 9 15.528 19.385 -2.336 66 H GLU 10 HN GLU 10 13.836 22.724 0.289 67 HA GLU 10 HA GLU 10 13.027 25.523 0.119 68 HB2 GLU 10 HB2 GLU 10 15.765 24.346 0.809 69 HB3 GLU 10 HB1 GLU 10 15.181 25.953 1.228 70 HG2 GLU 10 HG2 GLU 10 13.781 25.158 2.902 71 HG3 GLU 10 HG1 GLU 10 13.553 23.598 2.115 72 H GLY 11 HN GLY 11 13.915 27.121 -1.183 73 HA2 GLY 11 HA2 GLY 11 15.962 26.361 -3.185 74 HA3 GLY 11 HA1 GLY 11 14.373 26.773 -3.837 75 H THR 12 HN THR 12 16.093 28.418 -4.782 76 HA THR 12 HA THR 12 16.144 30.802 -2.951 77 HB THR 12 HB THR 12 18.241 29.547 -4.516 78 HG1 THR 12 HG1 THR 12 17.911 31.043 -2.512 79 HG21 THR 12 HG21 THR 12 17.482 30.994 -6.449 80 HG22 THR 12 HG22 THR 12 18.998 31.592 -5.789 81 HG23 THR 12 HG23 THR 12 17.487 32.390 -5.383 82 H VAL 13 HN VAL 13 15.667 32.869 -3.868 83 HA VAL 13 HA VAL 13 13.729 32.648 -6.215 84 HB VAL 13 HB VAL 13 14.171 34.982 -4.292 85 HG11 VAL 13 HG11 VAL 13 11.753 35.438 -5.079 86 HG12 VAL 13 HG12 VAL 13 12.091 34.306 -6.383 87 HG13 VAL 13 HG13 VAL 13 13.051 35.772 -6.221 88 HG21 VAL 13 HG21 VAL 13 12.744 33.981 -2.795 89 HG22 VAL 13 HG22 VAL 13 13.230 32.485 -3.586 90 HG23 VAL 13 HG23 VAL 13 11.736 33.288 -4.061 91 H VAL 14 HN VAL 14 14.659 33.188 -8.265 92 HA VAL 14 HA VAL 14 15.738 35.897 -8.414 93 HB VAL 14 HB VAL 14 17.532 33.981 -9.745 94 HG11 VAL 14 HG11 VAL 14 19.158 35.537 -9.151 95 HG12 VAL 14 HG12 VAL 14 18.359 35.921 -7.630 96 HG13 VAL 14 HG13 VAL 14 17.722 36.557 -9.144 97 HG21 VAL 14 HG21 VAL 14 17.531 34.031 -6.750 98 HG22 VAL 14 HG22 VAL 14 18.616 33.120 -7.778 99 HG23 VAL 14 HG23 VAL 14 16.915 32.685 -7.695 100 H ASP 15 HN ASP 15 13.866 35.996 -9.621 101 HA ASP 15 HA ASP 15 14.163 36.326 -12.344 102 HB2 ASP 15 HB2 ASP 15 13.400 33.543 -11.558 103 HB3 ASP 15 HB1 ASP 15 12.422 34.267 -12.833 104 H THR 16 HN THR 16 12.331 37.403 -13.143 105 HA THR 16 HA THR 16 10.083 37.634 -11.141 106 HB THR 16 HB THR 16 9.798 39.978 -12.110 107 HG1 THR 16 HG1 THR 16 11.084 38.941 -14.029 108 HG21 THR 16 HG21 THR 16 12.011 39.010 -10.505 109 HG22 THR 16 HG22 THR 16 11.369 40.649 -10.538 110 HG23 THR 16 HG23 THR 16 12.662 40.187 -11.640 111 H LEU 17 HN LEU 17 8.184 36.970 -11.745 112 HA LEU 17 HA LEU 17 7.674 36.550 -14.627 113 HB2 LEU 17 HB2 LEU 17 6.301 35.538 -12.127 114 HB3 LEU 17 HB1 LEU 17 5.721 35.179 -13.740 115 HG LEU 17 HG LEU 17 8.455 34.564 -13.838 116 HD11 LEU 17 HD21 LEU 17 7.249 33.908 -11.179 117 HD12 LEU 17 HD22 LEU 17 8.871 34.475 -11.563 118 HD13 LEU 17 HD23 LEU 17 8.411 32.817 -11.907 119 HD21 LEU 17 HD11 LEU 17 6.755 33.290 -14.990 120 HD22 LEU 17 HD12 LEU 17 5.996 32.837 -13.467 121 HD23 LEU 17 HD13 LEU 17 7.580 32.193 -13.887 122 HA PRO 18 HA PRO 18 4.549 39.702 -14.336 123 HB2 PRO 18 HB2 PRO 18 2.996 39.039 -16.542 124 HB3 PRO 18 HB1 PRO 18 4.597 39.774 -16.676 125 HG2 PRO 18 HG2 PRO 18 3.774 36.991 -17.302 126 HG3 PRO 18 HG1 PRO 18 5.242 37.843 -17.789 127 HD2 PRO 18 HD1 PRO 18 4.942 35.908 -15.643 128 HD3 PRO 18 HD2 PRO 18 6.405 36.748 -16.165 129 H ASN 19 HN ASN 19 2.285 40.163 -14.105 130 HA ASN 19 HA ASN 19 0.074 39.734 -13.499 131 HB2 ASN 19 HB2 ASN 19 0.668 37.521 -15.041 132 HB3 ASN 19 HB1 ASN 19 0.343 36.760 -13.488 133 HD21 ASN 19 HD21 ASN 19 -1.124 39.698 -14.943 134 HD22 ASN 19 HD22 ASN 19 -2.716 39.109 -14.909 135 H THR 20 HN THR 20 2.600 39.589 -11.837 136 HA THR 20 HA THR 20 2.936 39.685 -9.512 137 HB THR 20 HB THR 20 0.335 38.147 -9.033 138 HG1 THR 20 HG1 THR 20 0.520 40.941 -9.210 139 HG21 THR 20 HG21 THR 20 1.561 40.562 -7.610 140 HG22 THR 20 HG22 THR 20 1.993 38.917 -7.150 141 HG23 THR 20 HG23 THR 20 0.329 39.470 -6.989 142 H MET 21 HN MET 21 4.507 37.940 -10.548 143 HA MET 21 HA MET 21 4.369 35.713 -8.600 144 HB2 MET 21 HB2 MET 21 5.001 34.310 -10.953 145 HB3 MET 21 HB1 MET 21 3.471 34.237 -10.099 146 HG2 MET 21 HG2 MET 21 4.005 36.449 -12.043 147 HG3 MET 21 HG1 MET 21 3.528 34.879 -12.629 148 HE1 MET 21 HE1 MET 21 1.433 33.645 -11.965 149 HE2 MET 21 HE2 MET 21 1.236 34.587 -13.442 150 HE3 MET 21 HE3 MET 21 -0.057 34.546 -12.244 151 H PHE 22 HN PHE 22 6.316 34.395 -8.598 152 HA PHE 22 HA PHE 22 8.677 35.736 -9.812 153 HB2 PHE 22 HB2 PHE 22 8.293 34.925 -6.878 154 HB3 PHE 22 HB1 PHE 22 9.839 35.412 -7.568 155 HD1 PHE 22 HD2 PHE 22 10.000 37.748 -8.624 156 HD2 PHE 22 HD1 PHE 22 6.717 36.566 -6.174 157 HE1 PHE 22 HE2 PHE 22 9.406 40.106 -8.275 158 HE2 PHE 22 HE1 PHE 22 6.133 38.928 -5.831 159 HZ PHE 22 HZ PHE 22 7.473 40.695 -6.881 160 H ARG 23 HN ARG 23 10.562 34.267 -9.847 161 HA ARG 23 HA ARG 23 9.633 31.427 -9.872 162 HB2 ARG 23 HB2 ARG 23 10.284 31.741 -12.060 163 HB3 ARG 23 HB1 ARG 23 11.363 33.028 -11.638 164 HG2 ARG 23 HG2 ARG 23 13.069 31.495 -10.896 165 HG3 ARG 23 HG1 ARG 23 11.938 30.150 -10.925 166 HD2 ARG 23 HD2 ARG 23 13.656 30.621 -12.949 167 HD3 ARG 23 HD1 ARG 23 12.062 29.915 -13.215 168 HE ARG 23 HE ARG 23 12.799 32.743 -13.760 169 HH11 ARG 23 HH11 ARG 23 11.282 30.008 -14.856 170 HH12 ARG 23 HH12 ARG 23 9.850 30.787 -15.444 171 HH21 ARG 23 HH21 ARG 23 10.685 33.862 -13.979 172 HH22 ARG 23 HH22 ARG 23 9.504 33.029 -14.932 173 H VAL 24 HN VAL 24 10.854 29.830 -8.979 174 HA VAL 24 HA VAL 24 13.045 30.791 -7.258 175 HB VAL 24 HB VAL 24 12.305 28.345 -6.334 176 HG11 VAL 24 HG21 VAL 24 11.175 31.063 -5.696 177 HG12 VAL 24 HG22 VAL 24 12.472 30.220 -4.855 178 HG13 VAL 24 HG23 VAL 24 10.813 29.646 -4.715 179 HG21 VAL 24 HG11 VAL 24 9.719 29.595 -7.107 180 HG22 VAL 24 HG12 VAL 24 10.017 27.962 -6.524 181 HG23 VAL 24 HG13 VAL 24 10.515 28.418 -8.149 182 H GLU 25 HN GLU 25 14.865 29.525 -7.186 183 HA GLU 25 HA GLU 25 15.093 27.611 -9.509 184 HB2 GLU 25 HB2 GLU 25 17.303 29.257 -8.134 185 HB3 GLU 25 HB1 GLU 25 17.474 28.279 -9.588 186 HG2 GLU 25 HG2 GLU 25 15.787 29.722 -10.726 187 HG3 GLU 25 HG1 GLU 25 15.701 30.725 -9.280 188 H LEU 26 HN LEU 26 15.036 25.747 -8.886 189 HA LEU 26 HA LEU 26 16.346 24.826 -6.394 190 HB2 LEU 26 HB2 LEU 26 14.142 23.558 -8.127 191 HB3 LEU 26 HB1 LEU 26 14.860 22.776 -6.741 192 HG LEU 26 HG LEU 26 13.629 25.523 -6.511 193 HD11 LEU 26 HD21 LEU 26 12.098 23.036 -5.813 194 HD12 LEU 26 HD22 LEU 26 12.075 23.608 -7.476 195 HD13 LEU 26 HD23 LEU 26 11.491 24.645 -6.181 196 HD21 LEU 26 HD11 LEU 26 14.183 23.229 -4.596 197 HD22 LEU 26 HD12 LEU 26 13.305 24.688 -4.148 198 HD23 LEU 26 HD13 LEU 26 14.994 24.792 -4.631 199 H GLU 27 HN GLU 27 17.626 25.712 -8.670 200 HA GLU 27 HA GLU 27 18.333 24.199 -10.803 201 HB2 GLU 27 HB2 GLU 27 20.535 25.209 -10.684 202 HB3 GLU 27 HB1 GLU 27 19.420 26.367 -9.969 203 HG2 GLU 27 HG2 GLU 27 21.197 24.412 -8.468 204 HG3 GLU 27 HG1 GLU 27 21.379 26.163 -8.520 205 H ASN 28 HN ASN 28 18.434 23.036 -7.699 206 HA ASN 28 HA ASN 28 20.697 21.281 -8.020 207 HB2 ASN 28 HB2 ASN 28 18.411 21.658 -6.116 208 HB3 ASN 28 HB1 ASN 28 18.910 19.980 -6.294 209 HD21 ASN 28 HD21 ASN 28 19.373 22.336 -4.192 210 HD22 ASN 28 HD22 ASN 28 21.017 22.149 -3.814 211 H GLY 29 HN GLY 29 18.672 21.692 -10.137 212 HA2 GLY 29 HA2 GLY 29 18.406 20.009 -11.905 213 HA3 GLY 29 HA1 GLY 29 17.852 18.907 -10.649 214 H HIS 30 HN HIS 30 16.440 21.685 -9.602 215 HA HIS 30 HA HIS 30 14.075 21.373 -11.437 216 HB2 HIS 30 HB2 HIS 30 14.284 21.173 -8.466 217 HB3 HIS 30 HB1 HIS 30 12.891 22.064 -9.077 218 HD1 HIS 30 HD1 HIS 30 14.451 19.025 -10.498 219 HD2 HIS 30 HD2 HIS 30 10.868 20.224 -9.029 220 HE1 HIS 30 HE1 HIS 30 12.971 17.151 -10.889 221 H VAL 31 HN VAL 31 12.832 23.117 -11.886 222 HA VAL 31 HA VAL 31 13.679 25.831 -10.824 223 HB VAL 31 HB VAL 31 13.671 24.748 -13.624 224 HG11 VAL 31 HG21 VAL 31 12.828 26.941 -14.591 225 HG12 VAL 31 HG22 VAL 31 12.204 27.325 -12.989 226 HG13 VAL 31 HG23 VAL 31 11.576 25.936 -13.868 227 HG21 VAL 31 HG11 VAL 31 15.562 25.868 -12.358 228 HG22 VAL 31 HG12 VAL 31 14.677 27.382 -12.522 229 HG23 VAL 31 HG13 VAL 31 15.251 26.537 -13.956 230 H VAL 32 HN VAL 32 11.750 27.087 -10.271 231 HA VAL 32 HA VAL 32 9.175 26.095 -11.360 232 HB VAL 32 HB VAL 32 9.259 26.601 -8.469 233 HG11 VAL 32 HG21 VAL 32 7.671 24.647 -8.570 234 HG12 VAL 32 HG22 VAL 32 7.837 24.716 -10.314 235 HG13 VAL 32 HG23 VAL 32 7.150 26.076 -9.440 236 HG21 VAL 32 HG11 VAL 32 9.983 24.288 -8.001 237 HG22 VAL 32 HG12 VAL 32 11.254 25.184 -8.824 238 HG23 VAL 32 HG13 VAL 32 10.260 24.042 -9.723 239 H THR 33 HN THR 33 7.329 27.332 -10.521 240 HA THR 33 HA THR 33 8.004 30.220 -10.441 241 HB THR 33 HB THR 33 5.822 28.656 -11.829 242 HG1 THR 33 HG1 THR 33 7.742 30.653 -12.352 243 HG21 THR 33 HG21 THR 33 4.697 30.542 -10.515 244 HG22 THR 33 HG22 THR 33 4.658 30.832 -12.252 245 HG23 THR 33 HG23 THR 33 5.835 31.671 -11.246 246 H ALA 34 HN ALA 34 7.300 31.336 -8.676 247 HA ALA 34 HA ALA 34 5.011 30.176 -7.176 248 HB1 ALA 34 HB1 ALA 34 6.313 30.459 -5.031 249 HB2 ALA 34 HB2 ALA 34 7.738 30.863 -5.984 250 HB3 ALA 34 HB3 ALA 34 7.030 29.254 -6.093 251 H HIS 35 HN HIS 35 4.645 31.677 -5.158 252 HA HIS 35 HA HIS 35 4.940 34.520 -6.044 253 HB2 HIS 35 HB2 HIS 35 2.401 33.524 -4.716 254 HB3 HIS 35 HB1 HIS 35 2.619 34.941 -5.739 255 HD1 HIS 35 HD1 HIS 35 1.813 34.519 -8.001 256 HD2 HIS 35 HD2 HIS 35 2.943 31.009 -6.320 257 HE1 HIS 35 HE1 HIS 35 1.303 32.845 -9.676 258 H ILE 36 HN ILE 36 4.420 36.036 -4.235 259 HA ILE 36 HA ILE 36 5.637 34.893 -1.759 260 HB ILE 36 HB ILE 36 6.630 36.944 -2.882 261 HG12 ILE 36 HG12 ILE 36 5.436 37.438 -0.134 262 HG13 ILE 36 HG11 ILE 36 6.963 36.628 -0.470 263 HG21 ILE 36 HG21 ILE 36 4.096 37.721 -3.377 264 HG22 ILE 36 HG22 ILE 36 5.373 38.916 -3.178 265 HG23 ILE 36 HG23 ILE 36 4.291 38.553 -1.836 266 HD11 ILE 36 HD11 ILE 36 6.269 39.540 -0.684 267 HD12 ILE 36 HD12 ILE 36 7.424 38.890 -1.845 268 HD13 ILE 36 HD13 ILE 36 7.759 38.786 -0.118 269 H SER 37 HN SER 37 4.321 34.352 -0.173 270 HA SER 37 HA SER 37 1.534 35.016 -0.125 271 HB2 SER 37 HB2 SER 37 3.443 33.796 1.928 272 HB3 SER 37 HB1 SER 37 1.708 33.989 2.246 273 HG SER 37 HG SER 37 1.333 32.408 0.922 274 H GLY 38 HN GLY 38 0.752 35.737 2.275 275 HA2 GLY 38 HA2 GLY 38 1.297 38.567 2.366 276 HA3 GLY 38 HA1 GLY 38 0.337 37.674 3.542 277 H LYS 39 HN LYS 39 3.004 35.930 3.574 278 HA LYS 39 HA LYS 39 3.933 36.651 6.091 279 HB2 LYS 39 HB2 LYS 39 5.228 35.366 3.679 280 HB3 LYS 39 HB1 LYS 39 6.264 35.798 5.036 281 HG2 LYS 39 HG2 LYS 39 5.407 33.475 5.248 282 HG3 LYS 39 HG1 LYS 39 4.829 34.495 6.560 283 HD2 LYS 39 HD2 LYS 39 2.658 34.591 5.710 284 HD3 LYS 39 HD1 LYS 39 3.181 34.277 4.059 285 HE2 LYS 39 HE2 LYS 39 3.672 31.950 4.615 286 HE3 LYS 39 HE1 LYS 39 3.296 32.243 6.308 287 HZ1 LYS 39 HZ1 LYS 39 1.042 33.037 5.303 288 HZ2 LYS 39 HZ2 LYS 39 1.340 31.389 5.578 289 HZ3 LYS 39 HZ3 LYS 39 1.496 32.029 4.013 290 H MET 40 HN MET 40 4.620 38.138 3.023 291 HA MET 40 HA MET 40 6.836 39.732 3.887 292 HB2 MET 40 HB2 MET 40 6.203 41.143 1.864 293 HB3 MET 40 HB1 MET 40 6.428 39.435 1.507 294 HG2 MET 40 HG2 MET 40 4.418 39.735 0.499 295 HG3 MET 40 HG1 MET 40 3.863 39.316 2.090 296 HE1 MET 40 HE1 MET 40 1.541 40.461 0.543 297 HE2 MET 40 HE2 MET 40 2.844 40.758 -0.607 298 HE3 MET 40 HE3 MET 40 1.778 42.076 -0.122 299 H ARG 41 HN ARG 41 3.389 40.465 3.521 300 HA ARG 41 HA ARG 41 3.394 43.134 4.306 301 HB2 ARG 41 HB2 ARG 41 1.475 40.889 4.356 302 HB3 ARG 41 HB1 ARG 41 1.172 42.052 5.643 303 HG2 ARG 41 HG2 ARG 41 0.864 43.835 4.122 304 HG3 ARG 41 HG1 ARG 41 1.674 42.980 2.816 305 HD2 ARG 41 HD2 ARG 41 -0.744 42.940 2.423 306 HD3 ARG 41 HD1 ARG 41 -0.198 41.309 2.809 307 HE ARG 41 HE ARG 41 -1.446 41.424 4.818 308 HH11 ARG 41 HH11 ARG 41 -1.217 44.400 3.147 309 HH12 ARG 41 HH12 ARG 41 -2.174 45.291 4.283 310 HH21 ARG 41 HH21 ARG 41 -2.576 42.534 6.412 311 HH22 ARG 41 HH22 ARG 41 -2.967 44.206 6.181 312 H LYS 42 HN LYS 42 3.286 40.281 6.398 313 HA LYS 42 HA LYS 42 3.233 41.712 8.855 314 HB2 LYS 42 HB2 LYS 42 3.822 38.946 7.935 315 HB3 LYS 42 HB1 LYS 42 4.638 39.390 9.432 316 HG2 LYS 42 HG2 LYS 42 2.500 38.485 10.066 317 HG3 LYS 42 HG1 LYS 42 2.385 40.229 10.276 318 HD2 LYS 42 HD2 LYS 42 1.108 40.502 8.302 319 HD3 LYS 42 HD1 LYS 42 1.584 38.929 7.671 320 HE2 LYS 42 HE2 LYS 42 -0.308 39.514 9.962 321 HE3 LYS 42 HE1 LYS 42 -0.661 38.662 8.464 322 HZ1 LYS 42 HZ1 LYS 42 0.517 37.687 10.895 323 HZ2 LYS 42 HZ2 LYS 42 1.369 37.225 9.500 324 HZ3 LYS 42 HZ3 LYS 42 -0.278 36.842 9.655 325 H ASN 43 HN ASN 43 5.897 40.555 6.858 326 HA ASN 43 HA ASN 43 7.838 41.776 8.733 327 HB2 ASN 43 HB2 ASN 43 8.148 40.124 6.177 328 HB3 ASN 43 HB1 ASN 43 9.513 40.755 7.096 329 HD21 ASN 43 HD21 ASN 43 10.184 39.568 8.909 330 HD22 ASN 43 HD22 ASN 43 9.353 38.225 9.530 331 H TYR 44 HN TYR 44 5.924 43.290 6.949 332 HA TYR 44 HA TYR 44 6.059 45.382 5.882 333 HB2 TYR 44 HB2 TYR 44 8.425 45.218 7.332 334 HB3 TYR 44 HB1 TYR 44 9.033 45.391 5.689 335 HD1 TYR 44 HD2 TYR 44 8.308 47.369 4.311 336 HD2 TYR 44 HD1 TYR 44 7.352 47.058 8.444 337 HE1 TYR 44 HE2 TYR 44 7.795 49.765 4.373 338 HE2 TYR 44 HE1 TYR 44 6.843 49.456 8.506 339 HH TYR 44 HH TYR 44 6.171 51.263 6.028 340 H ILE 45 HN ILE 45 5.521 45.360 3.804 341 HA ILE 45 HA ILE 45 6.220 43.509 1.884 342 HB ILE 45 HB ILE 45 4.798 45.952 1.962 343 HG12 ILE 45 HG12 ILE 45 4.356 43.737 0.761 344 HG13 ILE 45 HG11 ILE 45 3.813 45.199 -0.044 345 HG21 ILE 45 HG21 ILE 45 7.031 46.091 -0.153 346 HG22 ILE 45 HG22 ILE 45 6.702 47.273 1.114 347 HG23 ILE 45 HG23 ILE 45 5.574 47.067 -0.215 348 HD11 ILE 45 HD11 ILE 45 5.639 45.163 -1.571 349 HD12 ILE 45 HD12 ILE 45 5.100 43.490 -1.485 350 HD13 ILE 45 HD13 ILE 45 6.533 44.001 -0.597 351 H ARG 46 HN ARG 46 8.126 42.866 1.171 352 HA ARG 46 HA ARG 46 10.088 44.852 0.288 353 HB2 ARG 46 HB2 ARG 46 11.892 43.880 1.738 354 HB3 ARG 46 HB1 ARG 46 10.609 44.600 2.701 355 HG2 ARG 46 HG2 ARG 46 9.557 42.241 2.737 356 HG3 ARG 46 HG1 ARG 46 11.120 41.670 2.162 357 HD2 ARG 46 HD2 ARG 46 10.609 43.242 4.713 358 HD3 ARG 46 HD1 ARG 46 11.083 41.547 4.607 359 HE ARG 46 HE ARG 46 13.252 42.376 3.598 360 HH11 ARG 46 HH11 ARG 46 11.599 43.825 6.132 361 HH12 ARG 46 HH12 ARG 46 12.633 45.209 6.263 362 HH21 ARG 46 HH21 ARG 46 14.435 44.388 3.372 363 HH22 ARG 46 HH22 ARG 46 14.282 45.535 4.659 364 H ILE 47 HN ILE 47 11.288 44.136 -1.357 365 HA ILE 47 HA ILE 47 11.033 41.243 -2.065 366 HB ILE 47 HB ILE 47 11.715 43.651 -3.816 367 HG12 ILE 47 HG12 ILE 47 9.417 43.188 -4.762 368 HG13 ILE 47 HG11 ILE 47 9.143 42.101 -3.405 369 HG21 ILE 47 HG21 ILE 47 11.297 41.994 -5.664 370 HG22 ILE 47 HG22 ILE 47 11.038 40.733 -4.463 371 HG23 ILE 47 HG23 ILE 47 12.627 41.473 -4.632 372 HD11 ILE 47 HD11 ILE 47 10.210 44.742 -2.633 373 HD12 ILE 47 HD12 ILE 47 8.883 43.822 -1.931 374 HD13 ILE 47 HD13 ILE 47 8.611 44.802 -3.368 375 H LEU 48 HN LEU 48 12.806 40.029 -2.308 376 HA LEU 48 HA LEU 48 15.468 41.385 -2.322 377 HB2 LEU 48 HB2 LEU 48 14.903 40.619 0.003 378 HB3 LEU 48 HB1 LEU 48 14.621 38.997 -0.600 379 HG LEU 48 HG LEU 48 16.947 39.610 0.470 380 HD11 LEU 48 HD11 LEU 48 16.185 37.511 -0.889 381 HD12 LEU 48 HD12 LEU 48 17.907 37.804 -0.681 382 HD13 LEU 48 HD13 LEU 48 17.120 38.227 -2.190 383 HD21 LEU 48 HD21 LEU 48 18.588 40.491 -1.046 384 HD22 LEU 48 HD22 LEU 48 17.230 41.608 -1.058 385 HD23 LEU 48 HD23 LEU 48 17.450 40.472 -2.382 386 H THR 49 HN THR 49 16.576 40.714 -4.048 387 HA THR 49 HA THR 49 15.689 38.401 -5.582 388 HB THR 49 HB THR 49 18.244 40.135 -5.782 389 HG1 THR 49 HG1 THR 49 16.600 41.368 -6.370 390 HG21 THR 49 HG21 THR 49 18.746 38.193 -7.124 391 HG22 THR 49 HG22 THR 49 17.902 39.227 -8.274 392 HG23 THR 49 HG23 THR 49 17.047 37.904 -7.483 393 H GLY 50 HN GLY 50 16.041 36.555 -5.166 394 HA2 GLY 50 HA2 GLY 50 17.086 34.525 -4.697 395 HA3 GLY 50 HA1 GLY 50 18.589 35.397 -4.458 396 H ASP 51 HN ASP 51 15.518 34.680 -3.123 397 HA ASP 51 HA ASP 51 16.573 35.106 -0.386 398 HB2 ASP 51 HB2 ASP 51 14.243 36.080 -1.529 399 HB3 ASP 51 HB1 ASP 51 13.668 34.574 -0.821 400 H LYS 52 HN LYS 52 16.872 33.210 0.804 401 HA LYS 52 HA LYS 52 16.250 30.798 -0.753 402 HB2 LYS 52 HB2 LYS 52 17.458 31.411 1.984 403 HB3 LYS 52 HB1 LYS 52 16.823 29.793 1.724 404 HG2 LYS 52 HG2 LYS 52 18.247 29.553 -0.285 405 HG3 LYS 52 HG1 LYS 52 18.876 31.178 -0.037 406 HD2 LYS 52 HD2 LYS 52 19.099 28.954 2.018 407 HD3 LYS 52 HD1 LYS 52 20.371 29.354 0.870 408 HE2 LYS 52 HE2 LYS 52 20.150 31.777 1.774 409 HE3 LYS 52 HE1 LYS 52 19.279 31.050 3.118 410 HZ1 LYS 52 HZ1 LYS 52 21.276 29.504 3.276 411 HZ2 LYS 52 HZ2 LYS 52 21.456 31.100 3.829 412 HZ3 LYS 52 HZ3 LYS 52 22.082 30.649 2.315 413 H VAL 53 HN VAL 53 14.190 30.131 -0.859 414 HA VAL 53 HA VAL 53 12.427 30.586 1.531 415 HB VAL 53 HB VAL 53 10.570 30.833 -0.145 416 HG11 VAL 53 HG21 VAL 53 11.640 33.020 -1.172 417 HG12 VAL 53 HG22 VAL 53 12.965 32.644 -0.080 418 HG13 VAL 53 HG23 VAL 53 11.348 32.920 0.554 419 HG21 VAL 53 HG11 VAL 53 11.385 29.630 -2.033 420 HG22 VAL 53 HG12 VAL 53 12.929 30.474 -2.006 421 HG23 VAL 53 HG13 VAL 53 11.479 31.315 -2.534 422 H ARG 54 HN ARG 54 10.494 29.252 1.670 423 HA ARG 54 HA ARG 54 11.243 26.457 0.903 424 HB2 ARG 54 HB2 ARG 54 10.569 27.055 3.304 425 HB3 ARG 54 HB1 ARG 54 8.956 27.411 2.689 426 HG2 ARG 54 HG2 ARG 54 8.644 25.147 1.949 427 HG3 ARG 54 HG1 ARG 54 10.344 24.763 2.192 428 HD2 ARG 54 HD2 ARG 54 8.265 25.338 4.325 429 HD3 ARG 54 HD1 ARG 54 9.161 23.841 4.075 430 HE ARG 54 HE ARG 54 10.274 26.342 5.226 431 HH11 ARG 54 HH21 ARG 54 12.199 24.848 3.460 432 HH12 ARG 54 HH22 ARG 54 12.984 23.797 4.592 433 HH21 ARG 54 HH11 ARG 54 10.515 24.256 7.037 434 HH22 ARG 54 HH12 ARG 54 12.004 23.452 6.670 435 H VAL 55 HN VAL 55 10.428 25.790 -0.960 436 HA VAL 55 HA VAL 55 7.932 27.023 -1.912 437 HB VAL 55 HB VAL 55 9.916 25.246 -3.371 438 HG11 VAL 55 HG11 VAL 55 7.763 25.173 -4.462 439 HG12 VAL 55 HG12 VAL 55 8.760 26.293 -5.385 440 HG13 VAL 55 HG13 VAL 55 7.544 26.909 -4.270 441 HG21 VAL 55 HG21 VAL 55 10.833 27.278 -4.301 442 HG22 VAL 55 HG22 VAL 55 10.789 27.493 -2.553 443 HG23 VAL 55 HG23 VAL 55 9.564 28.252 -3.565 444 H GLU 56 HN GLU 56 6.105 25.968 -2.240 445 HA GLU 56 HA GLU 56 6.061 23.068 -1.535 446 HB2 GLU 56 HB2 GLU 56 4.619 25.185 -0.434 447 HB3 GLU 56 HB1 GLU 56 3.507 24.601 -1.666 448 HG2 GLU 56 HG2 GLU 56 4.865 22.720 0.275 449 HG3 GLU 56 HG1 GLU 56 3.331 23.498 0.652 450 H LEU 57 HN LEU 57 5.822 21.823 -3.229 451 HA LEU 57 HA LEU 57 4.758 23.021 -5.715 452 HB2 LEU 57 HB2 LEU 57 5.900 20.217 -5.252 453 HB3 LEU 57 HB1 LEU 57 5.736 21.053 -6.790 454 HG LEU 57 HG LEU 57 7.231 22.710 -4.945 455 HD11 LEU 57 HD11 LEU 57 8.165 19.853 -5.315 456 HD12 LEU 57 HD12 LEU 57 7.954 20.729 -3.803 457 HD13 LEU 57 HD13 LEU 57 9.262 21.165 -4.898 458 HD21 LEU 57 HD21 LEU 57 8.880 22.617 -6.775 459 HD22 LEU 57 HD22 LEU 57 7.258 22.856 -7.408 460 HD23 LEU 57 HD23 LEU 57 8.007 21.268 -7.498 461 H THR 58 HN THR 58 3.009 22.186 -6.812 462 HA THR 58 HA THR 58 1.175 20.586 -5.091 463 HB THR 58 HB THR 58 -0.625 21.694 -6.279 464 HG1 THR 58 HG1 THR 58 1.256 22.701 -8.114 465 HG21 THR 58 HG21 THR 58 0.088 24.108 -6.340 466 HG22 THR 58 HG22 THR 58 1.781 23.626 -6.354 467 HG23 THR 58 HG23 THR 58 0.800 23.353 -4.917 468 HA PRO 59 HA PRO 59 1.484 17.070 -7.718 469 HB2 PRO 59 HB2 PRO 59 -1.280 16.296 -7.379 470 HB3 PRO 59 HB1 PRO 59 0.117 15.655 -6.512 471 HG2 PRO 59 HG2 PRO 59 -1.943 17.485 -5.527 472 HG3 PRO 59 HG1 PRO 59 -0.649 16.705 -4.616 473 HD2 PRO 59 HD1 PRO 59 -0.798 19.461 -5.354 474 HD3 PRO 59 HD2 PRO 59 0.573 18.624 -4.602 475 H TYR 60 HN TYR 60 -0.993 19.476 -8.099 476 HA TYR 60 HA TYR 60 -2.010 18.463 -10.632 477 HB2 TYR 60 HB2 TYR 60 -2.453 20.777 -8.845 478 HB3 TYR 60 HB1 TYR 60 -2.546 21.218 -10.547 479 HD1 TYR 60 HD1 TYR 60 -3.941 19.531 -12.050 480 HD2 TYR 60 HD2 TYR 60 -4.365 19.870 -7.832 481 HE1 TYR 60 HE1 TYR 60 -6.160 18.502 -12.191 482 HE2 TYR 60 HE2 TYR 60 -6.587 18.841 -7.973 483 HH TYR 60 HH TYR 60 -8.172 18.056 -9.300 484 H ASP 61 HN ASP 61 0.696 20.359 -9.665 485 HA ASP 61 HA ASP 61 1.923 20.247 -12.232 486 HB2 ASP 61 HB2 ASP 61 0.111 22.560 -11.688 487 HB3 ASP 61 HB1 ASP 61 1.703 23.008 -12.298 488 H LEU 62 HN LEU 62 3.587 19.637 -10.756 489 HA LEU 62 HA LEU 62 4.569 21.166 -8.625 490 HB2 LEU 62 HB2 LEU 62 6.094 19.451 -10.639 491 HB3 LEU 62 HB1 LEU 62 6.759 20.002 -9.103 492 HG LEU 62 HG LEU 62 4.318 18.932 -8.355 493 HD11 LEU 62 HD11 LEU 62 4.369 16.655 -9.447 494 HD12 LEU 62 HD12 LEU 62 5.520 17.310 -10.608 495 HD13 LEU 62 HD13 LEU 62 3.889 17.965 -10.520 496 HD21 LEU 62 HD21 LEU 62 6.511 18.626 -7.230 497 HD22 LEU 62 HD22 LEU 62 7.010 17.530 -8.515 498 HD23 LEU 62 HD23 LEU 62 5.687 17.084 -7.443 499 H SER 63 HN SER 63 5.010 21.672 -12.065 500 HA SER 63 HA SER 63 7.270 23.392 -11.962 501 HB2 SER 63 HB2 SER 63 6.478 22.841 -14.175 502 HB3 SER 63 HB1 SER 63 4.803 23.268 -13.776 503 HG SER 63 HG SER 63 5.415 25.119 -14.619 504 H LYS 64 HN LYS 64 4.427 23.650 -10.370 505 HA LYS 64 HA LYS 64 4.785 26.593 -10.017 506 HB2 LYS 64 HB2 LYS 64 2.147 25.031 -10.171 507 HB3 LYS 64 HB1 LYS 64 2.286 26.754 -9.839 508 HG2 LYS 64 HG2 LYS 64 3.139 27.209 -12.029 509 HG3 LYS 64 HG1 LYS 64 3.438 25.503 -12.344 510 HD2 LYS 64 HD2 LYS 64 1.428 25.774 -13.481 511 HD3 LYS 64 HD1 LYS 64 0.818 25.310 -11.895 512 HE2 LYS 64 HE2 LYS 64 1.285 28.196 -12.691 513 HE3 LYS 64 HE1 LYS 64 -0.258 27.386 -12.927 514 HZ1 LYS 64 HZ1 LYS 64 0.716 28.583 -10.614 515 HZ2 LYS 64 HZ2 LYS 64 0.621 26.916 -10.308 516 HZ3 LYS 64 HZ3 LYS 64 -0.756 27.762 -10.828 517 H GLY 65 HN GLY 65 4.514 27.319 -7.969 518 HA2 GLY 65 HA2 GLY 65 3.489 25.633 -5.831 519 HA3 GLY 65 HA1 GLY 65 5.248 25.783 -5.798 520 H ARG 66 HN ARG 66 4.508 26.822 -3.680 521 HA ARG 66 HA ARG 66 4.317 29.786 -4.222 522 HB2 ARG 66 HB2 ARG 66 2.868 29.829 -2.042 523 HB3 ARG 66 HB1 ARG 66 2.081 29.216 -3.493 524 HG2 ARG 66 HG2 ARG 66 2.450 26.925 -2.809 525 HG3 ARG 66 HG1 ARG 66 3.474 27.435 -1.471 526 HD2 ARG 66 HD2 ARG 66 1.582 27.373 -0.213 527 HD3 ARG 66 HD1 ARG 66 1.129 28.860 -1.043 528 HE ARG 66 HE ARG 66 0.070 27.226 -2.780 529 HH11 ARG 66 HH21 ARG 66 1.030 25.391 -0.261 530 HH12 ARG 66 HH22 ARG 66 -0.539 24.860 0.247 531 HH21 ARG 66 HH11 ARG 66 -2.204 27.148 -1.822 532 HH22 ARG 66 HH12 ARG 66 -2.418 25.881 -0.659 533 H ILE 67 HN ILE 67 5.089 31.126 -2.338 534 HA ILE 67 HA ILE 67 7.303 29.638 -0.964 535 HB ILE 67 HB ILE 67 6.799 32.541 -1.663 536 HG12 ILE 67 HG12 ILE 67 9.342 31.049 -2.147 537 HG13 ILE 67 HG11 ILE 67 7.946 30.647 -3.138 538 HG21 ILE 67 HG21 ILE 67 9.283 32.570 -0.515 539 HG22 ILE 67 HG22 ILE 67 8.521 31.331 0.478 540 HG23 ILE 67 HG23 ILE 67 7.824 32.946 0.396 541 HD11 ILE 67 HD11 ILE 67 9.041 33.454 -2.739 542 HD12 ILE 67 HD12 ILE 67 7.693 33.009 -3.782 543 HD13 ILE 67 HD13 ILE 67 9.321 32.458 -4.164 544 H THR 68 HN THR 68 7.488 29.572 1.245 545 HA THR 68 HA THR 68 5.971 31.269 2.941 546 HB THR 68 HB THR 68 4.779 29.118 3.973 547 HG1 THR 68 HG1 THR 68 4.358 27.978 1.710 548 HG21 THR 68 HG21 THR 68 2.812 29.629 2.735 549 HG22 THR 68 HG22 THR 68 3.697 29.788 1.223 550 HG23 THR 68 HG23 THR 68 3.749 31.084 2.416 551 H TYR 69 HN TYR 69 8.061 31.469 3.483 552 HA TYR 69 HA TYR 69 9.138 31.188 5.802 553 HB2 TYR 69 HB2 TYR 69 8.453 28.779 6.052 554 HB3 TYR 69 HB1 TYR 69 9.475 28.344 4.682 555 HD1 TYR 69 HD1 TYR 69 9.727 30.228 7.913 556 HD2 TYR 69 HD2 TYR 69 11.628 27.578 5.182 557 HE1 TYR 69 HE1 TYR 69 11.641 30.035 9.435 558 HE2 TYR 69 HE2 TYR 69 13.543 27.385 6.704 559 HH TYR 69 HH TYR 69 14.562 28.965 8.596 560 H ARG 70 HN ARG 70 11.286 31.813 5.804 561 HA ARG 70 HA ARG 70 12.903 31.050 3.543 562 HB2 ARG 70 HB2 ARG 70 13.235 33.295 2.659 563 HB3 ARG 70 HB1 ARG 70 11.512 32.962 2.717 564 HG2 ARG 70 HG2 ARG 70 12.770 34.237 5.108 565 HG3 ARG 70 HG1 ARG 70 12.491 35.222 3.691 566 HD2 ARG 70 HD2 ARG 70 10.100 34.475 3.689 567 HD3 ARG 70 HD1 ARG 70 10.410 33.598 5.187 568 HE ARG 70 HE ARG 70 11.240 36.111 5.847 569 HH11 ARG 70 HH21 ARG 70 8.706 35.117 6.938 570 HH12 ARG 70 HH22 ARG 70 7.538 36.244 6.332 571 HH21 ARG 70 HH11 ARG 70 9.703 37.473 3.867 572 HH22 ARG 70 HH12 ARG 70 8.117 37.613 4.549 573 H ALA 71 HN ALA 71 15.050 31.705 3.565 574 HA ALA 71 HA ALA 71 16.005 32.414 6.276 575 HB1 ALA 71 HB1 ALA 71 18.107 31.080 5.315 576 HB2 ALA 71 HB2 ALA 71 16.905 30.384 4.232 577 HB3 ALA 71 HB3 ALA 71 16.737 30.191 5.975 578 H ARG 72 HN ARG 72 17.499 33.968 6.456 579 HA ARG 72 HA ARG 72 17.892 35.774 4.229 580 HB2 ARG 72 HB2 ARG 72 17.782 36.357 6.742 581 HB3 ARG 72 HB1 ARG 72 19.409 35.703 6.881 582 HG2 ARG 72 HG2 ARG 72 20.151 37.315 5.103 583 HG3 ARG 72 HG1 ARG 72 18.540 38.023 5.126 584 HD2 ARG 72 HD2 ARG 72 18.971 38.198 7.728 585 HD3 ARG 72 HD1 ARG 72 20.667 38.088 7.255 586 HE ARG 72 HE ARG 72 20.290 40.133 5.861 587 HH11 ARG 72 HH11 ARG 72 17.284 39.954 5.954 588 HH12 ARG 72 HH12 ARG 72 16.885 41.190 7.100 589 HH21 ARG 72 HH21 ARG 72 20.161 41.385 8.331 590 HH22 ARG 72 HH22 ARG 72 18.557 42.019 8.483 Start of MODEL 14 1 HA MET 1 HA MET 1 7.046 4.278 1.951 2 HB2 MET 1 HB2 MET 1 5.066 4.246 3.451 3 HB3 MET 1 HB1 MET 1 6.532 4.109 4.416 4 HG2 MET 1 HG2 MET 1 6.401 6.713 4.504 5 HG3 MET 1 HG1 MET 1 4.738 6.487 4.034 6 HE1 MET 1 HE1 MET 1 4.693 8.110 5.664 7 HE2 MET 1 HE2 MET 1 5.336 7.988 7.302 8 HE3 MET 1 HE3 MET 1 3.647 7.596 6.987 9 H SER 2 HN SER 2 7.617 7.200 1.323 10 HA SER 2 HA SER 2 5.371 7.565 -0.444 11 HB2 SER 2 HB2 SER 2 4.278 8.294 1.696 12 HB3 SER 2 HB1 SER 2 5.581 9.469 1.957 13 HG SER 2 HG SER 2 4.629 9.589 -0.569 14 H LYS 3 HN LYS 3 6.238 8.511 -2.152 15 HA LYS 3 HA LYS 3 7.956 10.872 -1.836 16 HB2 LYS 3 HB2 LYS 3 9.706 9.671 -3.392 17 HB3 LYS 3 HB1 LYS 3 9.717 9.258 -1.682 18 HG2 LYS 3 HG2 LYS 3 8.543 7.217 -2.059 19 HG3 LYS 3 HG1 LYS 3 8.070 7.700 -3.685 20 HD2 LYS 3 HD2 LYS 3 10.532 7.731 -4.291 21 HD3 LYS 3 HD1 LYS 3 10.862 7.011 -2.720 22 HE2 LYS 3 HE2 LYS 3 10.702 5.176 -4.247 23 HE3 LYS 3 HE1 LYS 3 9.185 5.185 -3.359 24 HZ1 LYS 3 HZ1 LYS 3 8.911 4.910 -5.772 25 HZ2 LYS 3 HZ2 LYS 3 9.578 6.455 -6.009 26 HZ3 LYS 3 HZ3 LYS 3 8.112 6.282 -5.169 27 H GLU 4 HN GLU 4 5.734 11.286 -2.929 28 HA GLU 4 HA GLU 4 5.694 10.602 -5.792 29 HB2 GLU 4 HB2 GLU 4 3.880 12.341 -4.048 30 HB3 GLU 4 HB1 GLU 4 3.568 11.987 -5.744 31 HG2 GLU 4 HG2 GLU 4 2.301 10.402 -4.413 32 HG3 GLU 4 HG1 GLU 4 3.637 9.526 -5.157 33 H ASP 5 HN ASP 5 4.658 13.748 -4.782 34 HA ASP 5 HA ASP 5 7.091 15.070 -5.756 35 HB2 ASP 5 HB2 ASP 5 5.462 14.362 -7.746 36 HB3 ASP 5 HB1 ASP 5 4.518 15.749 -7.206 37 H SER 6 HN SER 6 3.618 15.885 -5.475 38 HA SER 6 HA SER 6 3.875 18.490 -4.553 39 HB2 SER 6 HB2 SER 6 1.864 16.794 -3.088 40 HB3 SER 6 HB1 SER 6 1.601 18.273 -4.033 41 HG SER 6 HG SER 6 2.455 15.842 -5.203 42 H PHE 7 HN PHE 7 4.905 19.377 -2.868 43 HA PHE 7 HA PHE 7 4.656 18.578 -0.183 44 HB2 PHE 7 HB2 PHE 7 6.444 16.848 -1.718 45 HB3 PHE 7 HB1 PHE 7 7.350 17.668 -0.448 46 HD1 PHE 7 HD1 PHE 7 5.715 17.886 1.822 47 HD2 PHE 7 HD2 PHE 7 5.677 14.740 -1.055 48 HE1 PHE 7 HE1 PHE 7 4.739 16.368 3.487 49 HE2 PHE 7 HE2 PHE 7 4.698 13.231 0.617 50 HZ PHE 7 HZ PHE 7 4.226 14.044 2.885 51 H GLU 8 HN GLU 8 6.936 19.182 1.050 52 HA GLU 8 HA GLU 8 7.363 21.981 0.212 53 HB2 GLU 8 HB2 GLU 8 8.474 22.191 2.425 54 HB3 GLU 8 HB1 GLU 8 6.917 21.392 2.615 55 HG2 GLU 8 HG2 GLU 8 8.203 19.175 2.387 56 HG3 GLU 8 HG1 GLU 8 9.668 20.129 2.609 57 H MET 9 HN MET 9 9.386 22.902 -0.169 58 HA MET 9 HA MET 9 11.797 21.244 -0.231 59 HB2 MET 9 HB2 MET 9 10.293 20.868 -2.413 60 HB3 MET 9 HB1 MET 9 10.970 22.418 -2.899 61 HG2 MET 9 HG2 MET 9 12.324 20.529 -3.717 62 HG3 MET 9 HG1 MET 9 13.221 21.578 -2.652 63 HE1 MET 9 HE1 MET 9 14.137 17.585 -2.701 64 HE2 MET 9 HE2 MET 9 14.261 19.044 -3.684 65 HE3 MET 9 HE3 MET 9 12.778 18.092 -3.706 66 H GLU 10 HN GLU 10 13.570 22.502 -0.035 67 HA GLU 10 HA GLU 10 13.175 25.404 0.174 68 HB2 GLU 10 HB2 GLU 10 15.780 23.815 0.365 69 HB3 GLU 10 HB1 GLU 10 15.463 25.408 1.043 70 HG2 GLU 10 HG2 GLU 10 14.024 24.542 2.712 71 HG3 GLU 10 HG1 GLU 10 13.785 23.027 1.845 72 H GLY 11 HN GLY 11 14.149 27.013 -1.099 73 HA2 GLY 11 HA2 GLY 11 15.919 26.261 -3.333 74 HA3 GLY 11 HA1 GLY 11 14.295 26.717 -3.855 75 H THR 12 HN THR 12 15.939 28.380 -4.906 76 HA THR 12 HA THR 12 16.087 30.748 -3.049 77 HB THR 12 HB THR 12 17.932 30.019 -5.421 78 HG1 THR 12 HG1 THR 12 18.255 30.167 -2.592 79 HG21 THR 12 HG21 THR 12 17.652 32.534 -4.968 80 HG22 THR 12 HG22 THR 12 19.272 31.954 -4.589 81 HG23 THR 12 HG23 THR 12 18.111 32.234 -3.295 82 H VAL 13 HN VAL 13 15.490 32.758 -3.895 83 HA VAL 13 HA VAL 13 13.802 32.523 -6.407 84 HB VAL 13 HB VAL 13 13.855 34.730 -4.295 85 HG11 VAL 13 HG11 VAL 13 11.969 34.098 -6.603 86 HG12 VAL 13 HG12 VAL 13 12.999 35.513 -6.434 87 HG13 VAL 13 HG13 VAL 13 11.635 35.280 -5.342 88 HG21 VAL 13 HG21 VAL 13 13.108 32.336 -3.588 89 HG22 VAL 13 HG22 VAL 13 11.789 32.499 -4.746 90 HG23 VAL 13 HG23 VAL 13 11.895 33.592 -3.371 91 H VAL 14 HN VAL 14 14.826 33.158 -8.269 92 HA VAL 14 HA VAL 14 15.875 35.886 -8.262 93 HB VAL 14 HB VAL 14 17.595 33.966 -9.704 94 HG11 VAL 14 HG11 VAL 14 19.313 35.413 -9.025 95 HG12 VAL 14 HG12 VAL 14 18.456 35.879 -7.561 96 HG13 VAL 14 HG13 VAL 14 17.926 36.493 -9.123 97 HG21 VAL 14 HG21 VAL 14 17.515 33.903 -6.688 98 HG22 VAL 14 HG22 VAL 14 18.713 33.096 -7.691 99 HG23 VAL 14 HG23 VAL 14 17.030 32.582 -7.742 100 H ASP 15 HN ASP 15 13.961 36.059 -9.382 101 HA ASP 15 HA ASP 15 14.188 36.410 -12.135 102 HB2 ASP 15 HB2 ASP 15 13.631 33.696 -11.337 103 HB3 ASP 15 HB1 ASP 15 12.222 34.334 -12.184 104 H THR 16 HN THR 16 12.389 37.562 -12.878 105 HA THR 16 HA THR 16 10.183 37.881 -10.850 106 HB THR 16 HB THR 16 11.571 39.964 -11.117 107 HG1 THR 16 HG1 THR 16 9.612 40.707 -10.873 108 HG21 THR 16 HG21 THR 16 12.134 39.411 -13.631 109 HG22 THR 16 HG22 THR 16 11.700 41.082 -13.285 110 HG23 THR 16 HG23 THR 16 10.512 39.994 -13.993 111 H LEU 17 HN LEU 17 8.146 37.705 -11.463 112 HA LEU 17 HA LEU 17 7.587 37.296 -14.357 113 HB2 LEU 17 HB2 LEU 17 6.566 35.853 -11.908 114 HB3 LEU 17 HB1 LEU 17 5.742 35.732 -13.444 115 HG LEU 17 HG LEU 17 8.618 34.972 -12.878 116 HD11 LEU 17 HD21 LEU 17 6.211 33.362 -13.736 117 HD12 LEU 17 HD22 LEU 17 6.868 33.406 -12.105 118 HD13 LEU 17 HD23 LEU 17 7.822 32.732 -13.419 119 HD21 LEU 17 HD11 LEU 17 8.136 34.016 -15.354 120 HD22 LEU 17 HD12 LEU 17 8.820 35.617 -15.091 121 HD23 LEU 17 HD13 LEU 17 7.098 35.435 -15.409 122 HA PRO 18 HA PRO 18 4.298 40.153 -13.565 123 HB2 PRO 18 HB2 PRO 18 2.527 39.469 -15.617 124 HB3 PRO 18 HB1 PRO 18 4.023 40.371 -15.880 125 HG2 PRO 18 HG2 PRO 18 3.394 37.592 -16.654 126 HG3 PRO 18 HG1 PRO 18 4.760 38.590 -17.159 127 HD2 PRO 18 HD1 PRO 18 4.717 36.483 -15.148 128 HD3 PRO 18 HD2 PRO 18 6.102 37.401 -15.745 129 H ASN 19 HN ASN 19 2.053 40.435 -13.022 130 HA ASN 19 HA ASN 19 -0.016 39.804 -12.134 131 HB2 ASN 19 HB2 ASN 19 0.573 36.857 -12.474 132 HB3 ASN 19 HB1 ASN 19 -0.933 37.724 -12.745 133 HD21 ASN 19 HD21 ASN 19 -0.134 39.733 -14.529 134 HD22 ASN 19 HD22 ASN 19 0.418 39.028 -15.972 135 H THR 20 HN THR 20 2.574 39.959 -10.789 136 HA THR 20 HA THR 20 3.355 39.741 -8.606 137 HB THR 20 HB THR 20 0.814 38.189 -7.878 138 HG1 THR 20 HG1 THR 20 0.277 39.947 -9.241 139 HG21 THR 20 HG21 THR 20 2.302 38.709 -5.985 140 HG22 THR 20 HG22 THR 20 1.016 39.911 -5.938 141 HG23 THR 20 HG23 THR 20 2.593 40.335 -6.596 142 H MET 21 HN MET 21 4.641 38.104 -10.091 143 HA MET 21 HA MET 21 4.617 35.562 -8.510 144 HB2 MET 21 HB2 MET 21 4.366 35.854 -11.525 145 HB3 MET 21 HB1 MET 21 5.047 34.393 -10.819 146 HG2 MET 21 HG2 MET 21 2.372 35.563 -10.045 147 HG3 MET 21 HG1 MET 21 2.562 34.322 -11.251 148 HE1 MET 21 HE1 MET 21 0.799 32.164 -8.824 149 HE2 MET 21 HE2 MET 21 1.336 32.231 -10.503 150 HE3 MET 21 HE3 MET 21 0.531 33.622 -9.779 151 H PHE 22 HN PHE 22 6.536 34.272 -8.813 152 HA PHE 22 HA PHE 22 8.895 35.644 -9.946 153 HB2 PHE 22 HB2 PHE 22 8.932 34.634 -7.061 154 HB3 PHE 22 HB1 PHE 22 10.072 35.727 -7.843 155 HD1 PHE 22 HD1 PHE 22 9.309 38.065 -8.448 156 HD2 PHE 22 HD2 PHE 22 6.925 35.485 -6.031 157 HE1 PHE 22 HE1 PHE 22 7.982 39.990 -7.695 158 HE2 PHE 22 HE2 PHE 22 5.609 37.419 -5.279 159 HZ PHE 22 HZ PHE 22 6.137 39.667 -6.109 160 H ARG 23 HN ARG 23 10.777 34.138 -10.028 161 HA ARG 23 HA ARG 23 9.811 31.287 -10.045 162 HB2 ARG 23 HB2 ARG 23 10.654 32.488 -12.225 163 HB3 ARG 23 HB1 ARG 23 12.230 32.286 -11.516 164 HG2 ARG 23 HG2 ARG 23 11.984 29.891 -11.383 165 HG3 ARG 23 HG1 ARG 23 10.334 29.999 -11.952 166 HD2 ARG 23 HD2 ARG 23 11.392 29.557 -13.972 167 HD3 ARG 23 HD1 ARG 23 11.511 31.314 -13.971 168 HE ARG 23 HE ARG 23 13.767 30.076 -12.625 169 HH11 ARG 23 HH21 ARG 23 12.330 31.097 -15.565 170 HH12 ARG 23 HH22 ARG 23 13.816 31.142 -16.453 171 HH21 ARG 23 HH11 ARG 23 15.716 30.033 -13.724 172 HH22 ARG 23 HH12 ARG 23 15.782 30.524 -15.385 173 H VAL 24 HN VAL 24 10.845 29.758 -8.908 174 HA VAL 24 HA VAL 24 13.250 30.710 -7.441 175 HB VAL 24 HB VAL 24 11.202 30.250 -6.023 176 HG11 VAL 24 HG21 VAL 24 11.592 27.340 -6.436 177 HG12 VAL 24 HG22 VAL 24 10.709 28.215 -7.679 178 HG13 VAL 24 HG23 VAL 24 10.135 28.234 -6.018 179 HG21 VAL 24 HG11 VAL 24 12.450 28.447 -4.570 180 HG22 VAL 24 HG12 VAL 24 13.181 30.031 -4.784 181 HG23 VAL 24 HG13 VAL 24 13.745 28.663 -5.741 182 H GLU 25 HN GLU 25 15.037 29.554 -7.642 183 HA GLU 25 HA GLU 25 14.842 27.316 -9.595 184 HB2 GLU 25 HB2 GLU 25 17.092 29.047 -8.452 185 HB3 GLU 25 HB1 GLU 25 17.468 27.541 -9.282 186 HG2 GLU 25 HG2 GLU 25 16.324 28.301 -11.292 187 HG3 GLU 25 HG1 GLU 25 15.742 29.744 -10.465 188 H LEU 26 HN LEU 26 14.909 25.440 -9.063 189 HA LEU 26 HA LEU 26 15.892 24.500 -6.444 190 HB2 LEU 26 HB2 LEU 26 13.697 23.504 -8.346 191 HB3 LEU 26 HB1 LEU 26 14.325 22.506 -7.047 192 HG LEU 26 HG LEU 26 13.279 25.308 -6.614 193 HD11 LEU 26 HD21 LEU 26 11.733 23.146 -7.465 194 HD12 LEU 26 HD22 LEU 26 11.132 24.568 -6.619 195 HD13 LEU 26 HD23 LEU 26 11.554 23.119 -5.715 196 HD21 LEU 26 HD11 LEU 26 14.509 24.686 -4.724 197 HD22 LEU 26 HD12 LEU 26 14.115 22.981 -4.905 198 HD23 LEU 26 HD13 LEU 26 12.906 24.101 -4.290 199 H GLU 27 HN GLU 27 17.386 25.317 -8.605 200 HA GLU 27 HA GLU 27 18.177 23.796 -10.669 201 HB2 GLU 27 HB2 GLU 27 19.259 25.897 -9.999 202 HB3 GLU 27 HB1 GLU 27 19.911 25.140 -8.552 203 HG2 GLU 27 HG2 GLU 27 21.463 25.377 -10.583 204 HG3 GLU 27 HG1 GLU 27 21.410 23.818 -9.782 205 H ASN 28 HN ASN 28 17.989 22.641 -7.559 206 HA ASN 28 HA ASN 28 20.216 20.827 -7.682 207 HB2 ASN 28 HB2 ASN 28 17.651 21.077 -6.060 208 HB3 ASN 28 HB1 ASN 28 18.494 19.530 -6.044 209 HD21 ASN 28 HD21 ASN 28 18.563 20.506 -3.617 210 HD22 ASN 28 HD22 ASN 28 20.006 21.320 -3.242 211 H GLY 29 HN GLY 29 18.409 21.272 -9.974 212 HA2 GLY 29 HA2 GLY 29 18.258 19.564 -11.743 213 HA3 GLY 29 HA1 GLY 29 17.540 18.504 -10.533 214 H HIS 30 HN HIS 30 16.047 21.228 -9.596 215 HA HIS 30 HA HIS 30 13.945 21.067 -11.743 216 HB2 HIS 30 HB2 HIS 30 13.457 19.836 -9.507 217 HB3 HIS 30 HB1 HIS 30 13.306 21.435 -8.795 218 HD1 HIS 30 HD1 HIS 30 12.145 20.844 -12.189 219 HD2 HIS 30 HD2 HIS 30 10.494 21.180 -8.500 220 HE1 HIS 30 HE1 HIS 30 9.768 21.046 -12.596 221 H VAL 31 HN VAL 31 12.569 22.854 -12.003 222 HA VAL 31 HA VAL 31 13.492 25.491 -10.812 223 HB VAL 31 HB VAL 31 14.160 24.870 -13.342 224 HG11 VAL 31 HG21 VAL 31 12.442 25.346 -14.989 225 HG12 VAL 31 HG22 VAL 31 11.292 25.790 -13.731 226 HG13 VAL 31 HG23 VAL 31 11.814 24.116 -13.898 227 HG21 VAL 31 HG11 VAL 31 14.376 27.115 -12.277 228 HG22 VAL 31 HG12 VAL 31 12.701 27.460 -12.698 229 HG23 VAL 31 HG13 VAL 31 13.902 27.241 -13.968 230 H VAL 32 HN VAL 32 11.613 26.836 -10.201 231 HA VAL 32 HA VAL 32 8.994 25.984 -11.278 232 HB VAL 32 HB VAL 32 9.278 26.194 -8.340 233 HG11 VAL 32 HG21 VAL 32 7.372 24.904 -10.239 234 HG12 VAL 32 HG22 VAL 32 7.045 26.201 -9.099 235 HG13 VAL 32 HG23 VAL 32 7.347 24.572 -8.514 236 HG21 VAL 32 HG11 VAL 32 9.585 23.643 -9.929 237 HG22 VAL 32 HG12 VAL 32 9.590 23.771 -8.176 238 HG23 VAL 32 HG13 VAL 32 10.910 24.461 -9.108 239 H THR 33 HN THR 33 7.244 27.235 -10.364 240 HA THR 33 HA THR 33 8.078 30.058 -10.007 241 HB THR 33 HB THR 33 6.083 28.727 -11.772 242 HG1 THR 33 HG1 THR 33 7.367 29.911 -12.925 243 HG21 THR 33 HG21 THR 33 4.701 30.875 -11.784 244 HG22 THR 33 HG22 THR 33 5.560 31.389 -10.337 245 HG23 THR 33 HG23 THR 33 4.509 29.977 -10.284 246 H ALA 34 HN ALA 34 7.094 31.235 -8.406 247 HA ALA 34 HA ALA 34 4.823 30.004 -7.005 248 HB1 ALA 34 HB1 ALA 34 6.560 28.948 -5.744 249 HB2 ALA 34 HB2 ALA 34 6.152 30.364 -4.783 250 HB3 ALA 34 HB3 ALA 34 7.584 30.380 -5.806 251 H HIS 35 HN HIS 35 4.231 31.372 -5.068 252 HA HIS 35 HA HIS 35 4.614 34.261 -5.792 253 HB2 HIS 35 HB2 HIS 35 2.325 33.601 -6.373 254 HB3 HIS 35 HB1 HIS 35 2.125 32.744 -4.847 255 HD1 HIS 35 HD1 HIS 35 0.323 34.272 -4.009 256 HD2 HIS 35 HD2 HIS 35 3.655 36.376 -4.960 257 HE1 HIS 35 HE1 HIS 35 -0.081 36.490 -3.128 258 H ILE 36 HN ILE 36 5.103 35.578 -4.119 259 HA ILE 36 HA ILE 36 5.752 34.263 -1.601 260 HB ILE 36 HB ILE 36 6.704 36.469 -3.064 261 HG12 ILE 36 HG12 ILE 36 7.485 35.950 -0.206 262 HG13 ILE 36 HG11 ILE 36 7.853 34.788 -1.476 263 HG21 ILE 36 HG21 ILE 36 6.645 38.325 -1.359 264 HG22 ILE 36 HG22 ILE 36 5.570 37.358 -0.358 265 HG23 ILE 36 HG23 ILE 36 5.028 37.938 -1.929 266 HD11 ILE 36 HD11 ILE 36 8.779 37.662 -1.267 267 HD12 ILE 36 HD12 ILE 36 8.872 36.758 -2.776 268 HD13 ILE 36 HD13 ILE 36 9.769 36.210 -1.363 269 H SER 37 HN SER 37 4.699 34.465 0.311 270 HA SER 37 HA SER 37 1.952 35.315 0.253 271 HB2 SER 37 HB2 SER 37 3.765 34.673 2.643 272 HB3 SER 37 HB1 SER 37 1.991 34.714 2.674 273 HG SER 37 HG SER 37 2.691 33.291 0.577 274 H GLY 38 HN GLY 38 1.011 37.150 0.984 275 HA2 GLY 38 HA2 GLY 38 2.729 39.489 1.321 276 HA3 GLY 38 HA1 GLY 38 0.967 39.491 1.329 277 H LYS 39 HN LYS 39 0.880 37.364 3.379 278 HA LYS 39 HA LYS 39 0.699 38.996 5.690 279 HB2 LYS 39 HB2 LYS 39 1.198 35.980 5.635 280 HB3 LYS 39 HB1 LYS 39 0.373 36.888 6.896 281 HG2 LYS 39 HG2 LYS 39 -0.607 36.817 4.031 282 HG3 LYS 39 HG1 LYS 39 -1.149 35.665 5.246 283 HD2 LYS 39 HD2 LYS 39 -1.671 37.777 6.686 284 HD3 LYS 39 HD1 LYS 39 -1.577 38.650 5.161 285 HE2 LYS 39 HE2 LYS 39 -3.262 37.073 4.198 286 HE3 LYS 39 HE1 LYS 39 -3.401 36.302 5.773 287 HZ1 LYS 39 HZ1 LYS 39 -3.686 39.112 5.997 288 HZ2 LYS 39 HZ2 LYS 39 -4.761 37.881 6.456 289 HZ3 LYS 39 HZ3 LYS 39 -4.794 38.489 4.871 290 H MET 40 HN MET 40 3.119 36.458 5.020 291 HA MET 40 HA MET 40 4.804 37.162 7.211 292 HB2 MET 40 HB2 MET 40 5.420 35.828 4.527 293 HB3 MET 40 HB1 MET 40 6.570 35.907 5.857 294 HG2 MET 40 HG2 MET 40 3.794 34.752 6.126 295 HG3 MET 40 HG1 MET 40 5.174 33.782 5.688 296 HE1 MET 40 HE1 MET 40 4.471 32.349 9.090 297 HE2 MET 40 HE2 MET 40 4.527 32.144 7.340 298 HE3 MET 40 HE3 MET 40 3.199 33.037 8.081 299 H ARG 41 HN ARG 41 4.552 38.400 3.950 300 HA ARG 41 HA ARG 41 7.014 39.933 4.160 301 HB2 ARG 41 HB2 ARG 41 4.831 39.535 2.146 302 HB3 ARG 41 HB1 ARG 41 5.699 41.064 2.058 303 HG2 ARG 41 HG2 ARG 41 6.746 39.258 0.660 304 HG3 ARG 41 HG1 ARG 41 7.833 39.898 1.886 305 HD2 ARG 41 HD2 ARG 41 6.128 37.579 2.679 306 HD3 ARG 41 HD1 ARG 41 7.454 37.251 1.566 307 HE ARG 41 HE ARG 41 8.541 38.813 3.643 308 HH11 ARG 41 HH21 ARG 41 7.778 35.672 2.700 309 HH12 ARG 41 HH22 ARG 41 8.185 34.926 4.209 310 HH21 ARG 41 HH11 ARG 41 8.715 37.996 5.814 311 HH22 ARG 41 HH12 ARG 41 8.730 36.276 6.019 312 H LYS 42 HN LYS 42 3.698 40.385 4.987 313 HA LYS 42 HA LYS 42 3.755 43.258 4.959 314 HB2 LYS 42 HB2 LYS 42 1.601 42.161 4.824 315 HB3 LYS 42 HB1 LYS 42 1.956 41.136 6.206 316 HG2 LYS 42 HG2 LYS 42 0.431 42.926 6.854 317 HG3 LYS 42 HG1 LYS 42 1.973 43.129 7.667 318 HD2 LYS 42 HD2 LYS 42 2.522 45.012 6.438 319 HD3 LYS 42 HD1 LYS 42 1.655 44.457 5.011 320 HE2 LYS 42 HE2 LYS 42 0.509 46.386 6.062 321 HE3 LYS 42 HE1 LYS 42 -0.496 44.943 6.115 322 HZ1 LYS 42 HZ1 LYS 42 -0.490 46.109 8.226 323 HZ2 LYS 42 HZ2 LYS 42 1.196 45.943 8.337 324 HZ3 LYS 42 HZ3 LYS 42 0.203 44.567 8.385 325 H ASN 43 HN ASN 43 4.607 40.731 7.187 326 HA ASN 43 HA ASN 43 4.795 42.555 9.479 327 HB2 ASN 43 HB2 ASN 43 4.227 40.102 9.713 328 HB3 ASN 43 HB1 ASN 43 5.837 39.697 9.123 329 HD21 ASN 43 HD21 ASN 43 4.191 41.526 11.742 330 HD22 ASN 43 HD22 ASN 43 5.428 41.307 12.883 331 H TYR 44 HN TYR 44 6.702 41.925 6.809 332 HA TYR 44 HA TYR 44 8.912 43.421 7.945 333 HB2 TYR 44 HB2 TYR 44 9.074 40.437 7.456 334 HB3 TYR 44 HB1 TYR 44 10.513 41.422 7.204 335 HD1 TYR 44 HD1 TYR 44 10.706 43.321 9.226 336 HD2 TYR 44 HD2 TYR 44 8.977 39.450 9.560 337 HE1 TYR 44 HE1 TYR 44 11.099 43.354 11.646 338 HE2 TYR 44 HE2 TYR 44 9.373 39.481 11.978 339 HH TYR 44 HH TYR 44 10.130 40.623 13.704 340 H ILE 45 HN ILE 45 9.878 44.563 6.390 341 HA ILE 45 HA ILE 45 8.963 44.856 3.817 342 HB ILE 45 HB ILE 45 11.922 44.934 4.564 343 HG12 ILE 45 HG12 ILE 45 10.758 46.155 6.267 344 HG13 ILE 45 HG11 ILE 45 11.374 47.354 5.135 345 HG21 ILE 45 HG21 ILE 45 11.471 47.077 2.952 346 HG22 ILE 45 HG22 ILE 45 10.175 46.039 2.368 347 HG23 ILE 45 HG23 ILE 45 11.847 45.491 2.283 348 HD11 ILE 45 HD11 ILE 45 9.107 47.988 5.501 349 HD12 ILE 45 HD12 ILE 45 8.543 46.321 5.406 350 HD13 ILE 45 HD13 ILE 45 9.086 47.151 3.950 351 H ARG 46 HN ARG 46 9.593 44.109 1.756 352 HA ARG 46 HA ARG 46 10.179 41.247 1.721 353 HB2 ARG 46 HB2 ARG 46 10.023 43.109 -0.686 354 HB3 ARG 46 HB1 ARG 46 9.635 41.394 -0.625 355 HG2 ARG 46 HG2 ARG 46 7.845 42.124 1.148 356 HG3 ARG 46 HG1 ARG 46 8.057 43.726 0.449 357 HD2 ARG 46 HD2 ARG 46 7.253 41.200 -1.035 358 HD3 ARG 46 HD1 ARG 46 6.238 42.607 -0.729 359 HE ARG 46 HE ARG 46 8.563 43.481 -2.121 360 HH11 ARG 46 HH21 ARG 46 5.572 41.843 -2.398 361 HH12 ARG 46 HH22 ARG 46 5.486 41.968 -4.123 362 HH21 ARG 46 HH11 ARG 46 8.604 43.551 -4.365 363 HH22 ARG 46 HH12 ARG 46 7.248 42.961 -5.266 364 H ILE 47 HN ILE 47 12.118 40.363 1.532 365 HA ILE 47 HA ILE 47 14.488 41.983 1.281 366 HB ILE 47 HB ILE 47 13.995 38.977 1.148 367 HG12 ILE 47 HG12 ILE 47 15.382 40.652 3.261 368 HG13 ILE 47 HG11 ILE 47 13.664 40.273 3.316 369 HG21 ILE 47 HG21 ILE 47 16.608 40.577 1.156 370 HG22 ILE 47 HG22 ILE 47 16.048 39.516 -0.132 371 HG23 ILE 47 HG23 ILE 47 16.522 38.840 1.422 372 HD11 ILE 47 HD11 ILE 47 16.014 38.392 3.513 373 HD12 ILE 47 HD12 ILE 47 14.437 37.799 3.004 374 HD13 ILE 47 HD13 ILE 47 14.630 38.537 4.591 375 H LEU 48 HN LEU 48 15.958 42.098 -0.403 376 HA LEU 48 HA LEU 48 14.882 42.314 -3.001 377 HB2 LEU 48 HB2 LEU 48 17.381 42.280 -3.692 378 HB3 LEU 48 HB1 LEU 48 16.915 43.503 -2.517 379 HG LEU 48 HG LEU 48 17.566 41.742 -0.726 380 HD11 LEU 48 HD11 LEU 48 17.845 39.748 -1.942 381 HD12 LEU 48 HD12 LEU 48 19.503 40.302 -1.736 382 HD13 LEU 48 HD13 LEU 48 18.672 40.560 -3.267 383 HD21 LEU 48 HD21 LEU 48 18.842 43.842 -1.395 384 HD22 LEU 48 HD22 LEU 48 19.798 42.822 -2.465 385 HD23 LEU 48 HD23 LEU 48 19.833 42.550 -0.725 386 H THR 49 HN THR 49 16.058 41.183 -4.898 387 HA THR 49 HA THR 49 15.019 38.577 -5.220 388 HB THR 49 HB THR 49 17.521 39.824 -6.538 389 HG1 THR 49 HG1 THR 49 14.716 39.963 -6.895 390 HG21 THR 49 HG21 THR 49 16.895 37.307 -6.974 391 HG22 THR 49 HG22 THR 49 16.999 38.347 -8.391 392 HG23 THR 49 HG23 THR 49 15.426 37.942 -7.709 393 H GLY 50 HN GLY 50 15.839 36.658 -5.287 394 HA2 GLY 50 HA2 GLY 50 17.162 34.800 -4.742 395 HA3 GLY 50 HA1 GLY 50 18.468 35.894 -4.335 396 H ASP 51 HN ASP 51 15.411 34.671 -3.317 397 HA ASP 51 HA ASP 51 16.150 35.205 -0.491 398 HB2 ASP 51 HB2 ASP 51 13.489 34.867 -1.948 399 HB3 ASP 51 HB1 ASP 51 13.599 34.715 -0.197 400 H LYS 52 HN LYS 52 16.880 33.349 0.544 401 HA LYS 52 HA LYS 52 16.309 30.844 -0.877 402 HB2 LYS 52 HB2 LYS 52 17.679 31.569 1.780 403 HB3 LYS 52 HB1 LYS 52 17.326 29.889 1.397 404 HG2 LYS 52 HG2 LYS 52 18.739 29.909 -0.507 405 HG3 LYS 52 HG1 LYS 52 18.765 31.666 -0.573 406 HD2 LYS 52 HD2 LYS 52 20.869 31.101 0.368 407 HD3 LYS 52 HD1 LYS 52 19.889 31.554 1.756 408 HE2 LYS 52 HE2 LYS 52 19.897 28.682 0.879 409 HE3 LYS 52 HE1 LYS 52 21.277 29.294 1.780 410 HZ1 LYS 52 HZ1 LYS 52 18.536 29.770 2.745 411 HZ2 LYS 52 HZ2 LYS 52 19.990 29.743 3.621 412 HZ3 LYS 52 HZ3 LYS 52 19.315 28.292 3.054 413 H VAL 53 HN VAL 53 14.283 30.042 -0.746 414 HA VAL 53 HA VAL 53 12.867 30.312 1.890 415 HB VAL 53 HB VAL 53 10.773 30.788 0.627 416 HG11 VAL 53 HG21 VAL 53 12.154 32.864 -0.711 417 HG12 VAL 53 HG22 VAL 53 13.124 32.493 0.702 418 HG13 VAL 53 HG23 VAL 53 11.438 32.939 0.893 419 HG21 VAL 53 HG11 VAL 53 11.082 29.636 -1.421 420 HG22 VAL 53 HG12 VAL 53 12.670 30.340 -1.686 421 HG23 VAL 53 HG13 VAL 53 11.229 31.322 -1.901 422 H ARG 54 HN ARG 54 10.642 29.156 1.762 423 HA ARG 54 HA ARG 54 11.386 26.338 0.994 424 HB2 ARG 54 HB2 ARG 54 9.750 27.624 3.138 425 HB3 ARG 54 HB1 ARG 54 9.073 26.142 2.473 426 HG2 ARG 54 HG2 ARG 54 10.520 25.524 4.321 427 HG3 ARG 54 HG1 ARG 54 11.324 25.046 2.830 428 HD2 ARG 54 HD2 ARG 54 13.076 26.164 3.868 429 HD3 ARG 54 HD1 ARG 54 12.339 27.516 3.014 430 HE ARG 54 HE ARG 54 11.559 28.360 5.101 431 HH11 ARG 54 HH21 ARG 54 10.474 25.779 6.142 432 HH12 ARG 54 HH22 ARG 54 11.499 25.465 7.503 433 HH21 ARG 54 HH11 ARG 54 13.936 27.754 6.452 434 HH22 ARG 54 HH12 ARG 54 13.510 26.612 7.683 435 H VAL 55 HN VAL 55 10.576 25.664 -0.843 436 HA VAL 55 HA VAL 55 8.133 26.932 -1.887 437 HB VAL 55 HB VAL 55 9.733 24.917 -3.441 438 HG11 VAL 55 HG11 VAL 55 7.709 26.029 -4.379 439 HG12 VAL 55 HG12 VAL 55 9.158 26.427 -5.293 440 HG13 VAL 55 HG13 VAL 55 8.485 27.594 -4.160 441 HG21 VAL 55 HG21 VAL 55 11.419 26.385 -2.304 442 HG22 VAL 55 HG22 VAL 55 10.628 27.791 -3.009 443 HG23 VAL 55 HG23 VAL 55 11.401 26.600 -4.049 444 H GLU 56 HN GLU 56 6.276 25.884 -2.093 445 HA GLU 56 HA GLU 56 6.271 22.999 -1.368 446 HB2 GLU 56 HB2 GLU 56 4.850 24.140 0.173 447 HB3 GLU 56 HB1 GLU 56 4.269 25.245 -1.055 448 HG2 GLU 56 HG2 GLU 56 2.973 23.498 -2.123 449 HG3 GLU 56 HG1 GLU 56 3.701 22.269 -1.093 450 H LEU 57 HN LEU 57 5.627 21.588 -2.843 451 HA LEU 57 HA LEU 57 4.894 22.709 -5.477 452 HB2 LEU 57 HB2 LEU 57 5.579 19.868 -4.559 453 HB3 LEU 57 HB1 LEU 57 5.274 20.328 -6.230 454 HG LEU 57 HG LEU 57 7.344 21.834 -4.635 455 HD11 LEU 57 HD11 LEU 57 9.048 20.223 -5.261 456 HD12 LEU 57 HD12 LEU 57 7.883 19.268 -6.173 457 HD13 LEU 57 HD13 LEU 57 7.777 19.344 -4.416 458 HD21 LEU 57 HD21 LEU 57 8.164 22.419 -6.764 459 HD22 LEU 57 HD22 LEU 57 6.424 22.366 -7.034 460 HD23 LEU 57 HD23 LEU 57 7.436 21.015 -7.538 461 H THR 58 HN THR 58 2.940 22.751 -6.187 462 HA THR 58 HA THR 58 0.695 21.898 -4.585 463 HB THR 58 HB THR 58 -0.562 22.680 -6.666 464 HG1 THR 58 HG1 THR 58 1.132 23.361 -8.305 465 HG21 THR 58 HG21 THR 58 1.760 24.534 -6.786 466 HG22 THR 58 HG22 THR 58 1.238 24.231 -5.130 467 HG23 THR 58 HG23 THR 58 0.106 24.895 -6.303 468 HA PRO 59 HA PRO 59 -0.109 17.734 -5.510 469 HB2 PRO 59 HB2 PRO 59 -2.632 18.398 -6.946 470 HB3 PRO 59 HB1 PRO 59 -2.410 17.428 -5.487 471 HG2 PRO 59 HG2 PRO 59 -3.369 20.121 -5.592 472 HG3 PRO 59 HG1 PRO 59 -2.908 19.236 -4.135 473 HD2 PRO 59 HD1 PRO 59 -1.524 21.447 -5.338 474 HD3 PRO 59 HD2 PRO 59 -1.030 20.536 -3.915 475 H TYR 60 HN TYR 60 -0.204 20.174 -7.939 476 HA TYR 60 HA TYR 60 -0.038 18.217 -10.149 477 HB2 TYR 60 HB2 TYR 60 0.542 21.167 -10.489 478 HB3 TYR 60 HB1 TYR 60 -0.354 20.090 -11.557 479 HD1 TYR 60 HD1 TYR 60 -2.557 19.051 -10.377 480 HD2 TYR 60 HD2 TYR 60 -0.714 22.726 -9.282 481 HE1 TYR 60 HE1 TYR 60 -4.664 19.812 -9.381 482 HE2 TYR 60 HE2 TYR 60 -2.821 23.484 -8.283 483 HH TYR 60 HH TYR 60 -5.406 21.422 -7.647 484 H ASP 61 HN ASP 61 1.922 20.415 -8.307 485 HA ASP 61 HA ASP 61 4.215 20.909 -8.370 486 HB2 ASP 61 HB2 ASP 61 5.536 18.832 -8.000 487 HB3 ASP 61 HB1 ASP 61 4.013 18.749 -7.115 488 H LEU 62 HN LEU 62 3.029 20.920 -11.063 489 HA LEU 62 HA LEU 62 5.028 19.599 -12.716 490 HB2 LEU 62 HB2 LEU 62 3.631 21.615 -14.209 491 HB3 LEU 62 HB1 LEU 62 3.380 19.876 -14.269 492 HG LEU 62 HG LEU 62 1.966 20.179 -12.148 493 HD11 LEU 62 HD11 LEU 62 0.925 22.557 -12.144 494 HD12 LEU 62 HD12 LEU 62 2.344 23.040 -13.063 495 HD13 LEU 62 HD13 LEU 62 2.528 22.398 -11.437 496 HD21 LEU 62 HD21 LEU 62 0.063 21.165 -13.624 497 HD22 LEU 62 HD22 LEU 62 0.802 19.642 -14.101 498 HD23 LEU 62 HD23 LEU 62 1.271 21.138 -14.903 499 H SER 63 HN SER 63 4.014 22.980 -12.513 500 HA SER 63 HA SER 63 6.885 23.786 -12.515 501 HB2 SER 63 HB2 SER 63 4.676 24.643 -14.451 502 HB3 SER 63 HB1 SER 63 6.096 25.668 -14.165 503 HG SER 63 HG SER 63 6.780 24.305 -15.708 504 H LYS 64 HN LYS 64 3.958 23.953 -11.006 505 HA LYS 64 HA LYS 64 4.533 26.722 -10.010 506 HB2 LYS 64 HB2 LYS 64 1.893 25.201 -10.169 507 HB3 LYS 64 HB1 LYS 64 2.080 26.789 -9.432 508 HG2 LYS 64 HG2 LYS 64 2.822 27.737 -11.553 509 HG3 LYS 64 HG1 LYS 64 2.815 26.147 -12.307 510 HD2 LYS 64 HD2 LYS 64 0.748 27.136 -12.963 511 HD3 LYS 64 HD1 LYS 64 0.324 26.031 -11.659 512 HE2 LYS 64 HE2 LYS 64 0.001 27.763 -10.118 513 HE3 LYS 64 HE1 LYS 64 1.035 28.877 -10.999 514 HZ1 LYS 64 HZ1 LYS 64 -1.520 29.138 -11.077 515 HZ2 LYS 64 HZ2 LYS 64 -1.435 27.917 -12.255 516 HZ3 LYS 64 HZ3 LYS 64 -0.604 29.380 -12.485 517 H GLY 65 HN GLY 65 4.365 27.214 -7.935 518 HA2 GLY 65 HA2 GLY 65 3.691 25.288 -5.857 519 HA3 GLY 65 HA1 GLY 65 5.424 25.621 -5.971 520 H ARG 66 HN ARG 66 4.737 26.497 -3.711 521 HA ARG 66 HA ARG 66 4.293 29.434 -4.103 522 HB2 ARG 66 HB2 ARG 66 2.832 29.407 -2.020 523 HB3 ARG 66 HB1 ARG 66 2.118 28.517 -3.360 524 HG2 ARG 66 HG2 ARG 66 3.052 26.411 -2.419 525 HG3 ARG 66 HG1 ARG 66 3.666 27.325 -1.045 526 HD2 ARG 66 HD2 ARG 66 0.766 26.944 -1.848 527 HD3 ARG 66 HD1 ARG 66 1.546 26.395 -0.365 528 HE ARG 66 HE ARG 66 1.802 29.245 -0.585 529 HH11 ARG 66 HH21 ARG 66 0.646 27.057 1.456 530 HH12 ARG 66 HH22 ARG 66 -0.860 27.825 1.831 531 HH21 ARG 66 HH11 ARG 66 -0.571 30.126 -0.799 532 HH22 ARG 66 HH12 ARG 66 -1.567 29.609 0.520 533 H ILE 67 HN ILE 67 5.208 30.752 -2.432 534 HA ILE 67 HA ILE 67 7.438 29.335 -1.015 535 HB ILE 67 HB ILE 67 6.931 32.203 -1.863 536 HG12 ILE 67 HG12 ILE 67 9.306 30.425 -2.412 537 HG13 ILE 67 HG11 ILE 67 7.878 30.415 -3.432 538 HG21 ILE 67 HG21 ILE 67 8.621 31.116 0.324 539 HG22 ILE 67 HG22 ILE 67 8.130 32.779 0.028 540 HG23 ILE 67 HG23 ILE 67 9.517 32.108 -0.817 541 HD11 ILE 67 HD11 ILE 67 8.166 32.987 -3.544 542 HD12 ILE 67 HD12 ILE 67 9.309 32.009 -4.461 543 HD13 ILE 67 HD13 ILE 67 9.786 32.702 -2.914 544 H THR 68 HN THR 68 7.732 29.552 1.208 545 HA THR 68 HA THR 68 6.134 31.335 2.706 546 HB THR 68 HB THR 68 4.302 29.746 2.349 547 HG1 THR 68 HG1 THR 68 5.230 30.323 4.594 548 HG21 THR 68 HG21 THR 68 4.671 27.456 2.101 549 HG22 THR 68 HG22 THR 68 5.676 27.403 3.547 550 HG23 THR 68 HG23 THR 68 6.385 27.851 1.999 551 H TYR 69 HN TYR 69 8.185 31.697 3.261 552 HA TYR 69 HA TYR 69 9.210 31.781 5.587 553 HB2 TYR 69 HB2 TYR 69 8.520 29.377 6.080 554 HB3 TYR 69 HB1 TYR 69 9.763 28.823 4.964 555 HD1 TYR 69 HD1 TYR 69 11.148 31.700 6.445 556 HD2 TYR 69 HD2 TYR 69 10.116 27.690 7.451 557 HE1 TYR 69 HE1 TYR 69 12.722 31.762 8.302 558 HE2 TYR 69 HE2 TYR 69 11.700 27.766 9.315 559 HH TYR 69 HH TYR 69 12.699 29.801 10.799 560 H ARG 70 HN ARG 70 10.560 33.163 4.662 561 HA ARG 70 HA ARG 70 12.569 32.191 2.778 562 HB2 ARG 70 HB2 ARG 70 12.794 34.423 2.071 563 HB3 ARG 70 HB1 ARG 70 11.112 34.410 2.591 564 HG2 ARG 70 HG2 ARG 70 12.017 35.090 4.914 565 HG3 ARG 70 HG1 ARG 70 13.522 35.466 4.078 566 HD2 ARG 70 HD2 ARG 70 12.276 36.985 2.547 567 HD3 ARG 70 HD1 ARG 70 10.789 36.630 3.428 568 HE ARG 70 HE ARG 70 12.878 38.440 4.300 569 HH11 ARG 70 HH21 ARG 70 12.923 36.486 6.477 570 HH12 ARG 70 HH22 ARG 70 11.652 37.019 7.526 571 HH21 ARG 70 HH11 ARG 70 10.185 39.029 5.058 572 HH22 ARG 70 HH12 ARG 70 10.061 38.497 6.702 573 H ALA 71 HN ALA 71 14.780 32.588 3.075 574 HA ALA 71 HA ALA 71 15.601 33.351 5.799 575 HB1 ALA 71 HB1 ALA 71 15.623 31.016 6.098 576 HB2 ALA 71 HB2 ALA 71 17.259 31.286 5.508 577 HB3 ALA 71 HB3 ALA 71 16.012 30.705 4.409 578 H ARG 72 HN ARG 72 17.817 33.928 5.977 579 HA ARG 72 HA ARG 72 18.823 35.152 3.502 580 HB2 ARG 72 HB2 ARG 72 20.613 36.046 5.120 581 HB3 ARG 72 HB1 ARG 72 18.963 36.504 5.529 582 HG2 ARG 72 HG2 ARG 72 20.072 35.743 7.559 583 HG3 ARG 72 HG1 ARG 72 18.875 34.539 7.105 584 HD2 ARG 72 HD2 ARG 72 20.479 32.988 6.462 585 HD3 ARG 72 HD1 ARG 72 21.646 34.229 6.009 586 HE ARG 72 HE ARG 72 22.537 33.831 8.151 587 HH11 ARG 72 HH21 ARG 72 20.510 35.656 9.313 588 HH12 ARG 72 HH22 ARG 72 19.758 34.673 10.525 589 HH21 ARG 72 HH11 ARG 72 21.010 31.692 9.170 590 HH22 ARG 72 HH12 ARG 72 20.049 32.369 10.441 Start of MODEL 15 1 HA MET 1 HA MET 1 1.341 10.843 -12.712 2 HB2 MET 1 HB2 MET 1 -0.841 11.143 -13.997 3 HB3 MET 1 HB1 MET 1 0.468 10.513 -14.991 4 HG2 MET 1 HG2 MET 1 -0.499 8.192 -14.120 5 HG3 MET 1 HG1 MET 1 -1.956 9.130 -13.931 6 HE1 MET 1 HE1 MET 1 -3.533 9.871 -15.826 7 HE2 MET 1 HE2 MET 1 -2.906 10.219 -17.437 8 HE3 MET 1 HE3 MET 1 -2.214 11.025 -16.029 9 H SER 2 HN SER 2 -0.507 11.895 -11.649 10 HA SER 2 HA SER 2 -1.960 12.054 -9.827 11 HB2 SER 2 HB2 SER 2 -3.831 10.618 -9.973 12 HB3 SER 2 HB1 SER 2 -3.105 10.249 -11.547 13 HG SER 2 HG SER 2 -3.447 8.356 -10.276 14 H LYS 3 HN LYS 3 -2.558 10.946 -7.710 15 HA LYS 3 HA LYS 3 -1.750 10.148 -5.665 16 HB2 LYS 3 HB2 LYS 3 -1.190 8.077 -7.743 17 HB3 LYS 3 HB1 LYS 3 -0.229 7.910 -6.278 18 HG2 LYS 3 HG2 LYS 3 -2.323 6.659 -6.030 19 HG3 LYS 3 HG1 LYS 3 -2.319 8.028 -4.924 20 HD2 LYS 3 HD2 LYS 3 -3.626 9.345 -6.589 21 HD3 LYS 3 HD1 LYS 3 -3.675 7.935 -7.640 22 HE2 LYS 3 HE2 LYS 3 -4.708 6.683 -5.644 23 HE3 LYS 3 HE1 LYS 3 -4.934 8.264 -4.908 24 HZ1 LYS 3 HZ1 LYS 3 -6.778 7.203 -6.379 25 HZ2 LYS 3 HZ2 LYS 3 -5.861 7.848 -7.655 26 HZ3 LYS 3 HZ3 LYS 3 -6.475 8.872 -6.448 27 H GLU 4 HN GLU 4 -0.392 12.009 -5.453 28 HA GLU 4 HA GLU 4 2.443 11.240 -5.245 29 HB2 GLU 4 HB2 GLU 4 1.461 13.584 -6.950 30 HB3 GLU 4 HB1 GLU 4 3.144 13.334 -6.499 31 HG2 GLU 4 HG2 GLU 4 2.982 11.032 -7.566 32 HG3 GLU 4 HG1 GLU 4 1.409 11.514 -8.195 33 H ASP 5 HN ASP 5 0.001 13.769 -4.875 34 HA ASP 5 HA ASP 5 -0.381 15.229 -3.081 35 HB2 ASP 5 HB2 ASP 5 0.683 12.938 -1.922 36 HB3 ASP 5 HB1 ASP 5 1.838 14.163 -1.402 37 H SER 6 HN SER 6 0.553 17.113 -2.128 38 HA SER 6 HA SER 6 2.612 18.308 -3.727 39 HB2 SER 6 HB2 SER 6 1.099 19.852 -2.674 40 HB3 SER 6 HB1 SER 6 1.255 19.060 -1.095 41 HG SER 6 HG SER 6 2.625 20.777 -1.015 42 H PHE 7 HN PHE 7 4.544 19.421 -2.564 43 HA PHE 7 HA PHE 7 5.750 17.617 -0.521 44 HB2 PHE 7 HB2 PHE 7 6.313 17.034 -3.076 45 HB3 PHE 7 HB1 PHE 7 7.431 18.382 -2.914 46 HD1 PHE 7 HD2 PHE 7 6.511 15.081 -1.478 47 HD2 PHE 7 HD1 PHE 7 9.453 18.161 -1.643 48 HE1 PHE 7 HE2 PHE 7 8.109 13.626 -0.315 49 HE2 PHE 7 HE1 PHE 7 11.042 16.699 -0.473 50 HZ PHE 7 HZ PHE 7 10.374 14.430 0.185 51 H GLU 8 HN GLU 8 8.122 18.505 -0.119 52 HA GLU 8 HA GLU 8 8.000 21.494 -0.073 53 HB2 GLU 8 HB2 GLU 8 8.863 19.675 2.233 54 HB3 GLU 8 HB1 GLU 8 8.818 21.434 2.271 55 HG2 GLU 8 HG2 GLU 8 6.419 19.613 1.869 56 HG3 GLU 8 HG1 GLU 8 6.800 20.497 3.342 57 H MET 9 HN MET 9 9.856 22.484 -0.540 58 HA MET 9 HA MET 9 12.444 21.176 -0.187 59 HB2 MET 9 HB2 MET 9 11.149 20.542 -2.531 60 HB3 MET 9 HB1 MET 9 11.983 22.010 -3.028 61 HG2 MET 9 HG2 MET 9 13.549 20.330 -3.477 62 HG3 MET 9 HG1 MET 9 14.073 20.986 -1.949 63 HE1 MET 9 HE1 MET 9 15.622 19.251 -2.227 64 HE2 MET 9 HE2 MET 9 15.057 17.842 -3.128 65 HE3 MET 9 HE3 MET 9 15.465 17.692 -1.418 66 H GLU 10 HN GLU 10 13.988 22.677 0.067 67 HA GLU 10 HA GLU 10 13.216 25.471 0.049 68 HB2 GLU 10 HB2 GLU 10 16.031 24.339 0.284 69 HB3 GLU 10 HB1 GLU 10 15.432 25.855 0.947 70 HG2 GLU 10 HG2 GLU 10 14.044 24.706 2.542 71 HG3 GLU 10 HG1 GLU 10 14.312 23.155 1.752 72 H GLY 11 HN GLY 11 13.977 27.137 -1.254 73 HA2 GLY 11 HA2 GLY 11 15.748 26.495 -3.519 74 HA3 GLY 11 HA1 GLY 11 14.077 26.845 -3.976 75 H THR 12 HN THR 12 16.361 28.432 -4.706 76 HA THR 12 HA THR 12 16.072 30.835 -2.945 77 HB THR 12 HB THR 12 17.922 30.563 -5.392 78 HG1 THR 12 HG1 THR 12 19.316 30.008 -3.372 79 HG21 THR 12 HG21 THR 12 18.013 32.794 -4.399 80 HG22 THR 12 HG22 THR 12 19.361 31.932 -3.662 81 HG23 THR 12 HG23 THR 12 17.856 32.145 -2.770 82 H VAL 13 HN VAL 13 15.376 32.822 -3.779 83 HA VAL 13 HA VAL 13 13.702 32.511 -6.291 84 HB VAL 13 HB VAL 13 13.648 34.730 -4.210 85 HG11 VAL 13 HG11 VAL 13 12.660 35.546 -6.201 86 HG12 VAL 13 HG12 VAL 13 11.285 34.950 -5.272 87 HG13 VAL 13 HG13 VAL 13 11.933 33.994 -6.600 88 HG21 VAL 13 HG21 VAL 13 13.044 32.353 -3.398 89 HG22 VAL 13 HG22 VAL 13 11.736 32.354 -4.578 90 HG23 VAL 13 HG23 VAL 13 11.734 33.519 -3.257 91 H VAL 14 HN VAL 14 14.763 33.186 -8.146 92 HA VAL 14 HA VAL 14 15.533 35.981 -8.124 93 HB VAL 14 HB VAL 14 17.645 34.549 -9.418 94 HG11 VAL 14 HG11 VAL 14 17.506 36.167 -6.871 95 HG12 VAL 14 HG12 VAL 14 17.877 36.782 -8.479 96 HG13 VAL 14 HG13 VAL 14 19.011 35.711 -7.663 97 HG21 VAL 14 HG21 VAL 14 16.924 32.659 -7.932 98 HG22 VAL 14 HG22 VAL 14 17.272 33.692 -6.554 99 HG23 VAL 14 HG23 VAL 14 18.570 33.206 -7.635 100 H ASP 15 HN ASP 15 13.801 36.005 -9.439 101 HA ASP 15 HA ASP 15 14.273 36.310 -12.165 102 HB2 ASP 15 HB2 ASP 15 13.396 33.571 -11.323 103 HB3 ASP 15 HB1 ASP 15 12.504 34.287 -12.667 104 H THR 16 HN THR 16 12.500 37.403 -13.059 105 HA THR 16 HA THR 16 10.216 37.788 -11.133 106 HB THR 16 HB THR 16 9.895 39.986 -12.418 107 HG1 THR 16 HG1 THR 16 12.336 39.949 -13.508 108 HG21 THR 16 HG21 THR 16 12.838 39.710 -11.655 109 HG22 THR 16 HG22 THR 16 11.607 39.662 -10.396 110 HG23 THR 16 HG23 THR 16 11.785 41.097 -11.402 111 H LEU 17 HN LEU 17 8.145 37.749 -11.804 112 HA LEU 17 HA LEU 17 7.646 36.801 -14.570 113 HB2 LEU 17 HB2 LEU 17 6.622 35.758 -11.929 114 HB3 LEU 17 HB1 LEU 17 5.793 35.396 -13.427 115 HG LEU 17 HG LEU 17 8.688 34.766 -12.788 116 HD11 LEU 17 HD21 LEU 17 7.220 33.234 -11.690 117 HD12 LEU 17 HD22 LEU 17 7.796 32.419 -13.139 118 HD13 LEU 17 HD23 LEU 17 6.183 33.117 -13.106 119 HD21 LEU 17 HD11 LEU 17 8.168 33.401 -15.062 120 HD22 LEU 17 HD12 LEU 17 8.835 35.033 -15.081 121 HD23 LEU 17 HD13 LEU 17 7.107 34.783 -15.322 122 HA PRO 18 HA PRO 18 4.343 39.735 -14.292 123 HB2 PRO 18 HB2 PRO 18 2.627 38.740 -16.253 124 HB3 PRO 18 HB1 PRO 18 4.141 39.572 -16.621 125 HG2 PRO 18 HG2 PRO 18 3.496 36.702 -16.929 126 HG3 PRO 18 HG1 PRO 18 4.871 37.597 -17.584 127 HD2 PRO 18 HD1 PRO 18 4.804 35.863 -15.253 128 HD3 PRO 18 HD2 PRO 18 6.194 36.679 -15.972 129 H ASN 19 HN ASN 19 2.092 40.079 -13.819 130 HA ASN 19 HA ASN 19 0.017 39.560 -12.872 131 HB2 ASN 19 HB2 ASN 19 0.481 37.325 -14.382 132 HB3 ASN 19 HB1 ASN 19 0.589 36.608 -12.776 133 HD21 ASN 19 HD21 ASN 19 -1.343 36.339 -11.585 134 HD22 ASN 19 HD22 ASN 19 -2.870 36.803 -12.161 135 H THR 20 HN THR 20 2.549 39.956 -11.517 136 HA THR 20 HA THR 20 3.344 39.994 -9.333 137 HB THR 20 HB THR 20 0.710 38.650 -8.506 138 HG1 THR 20 HG1 THR 20 1.341 41.145 -9.592 139 HG21 THR 20 HG21 THR 20 1.039 39.976 -6.482 140 HG22 THR 20 HG22 THR 20 2.301 40.941 -7.243 141 HG23 THR 20 HG23 THR 20 2.615 39.263 -6.811 142 H MET 21 HN MET 21 4.628 38.172 -10.515 143 HA MET 21 HA MET 21 4.474 35.824 -8.644 144 HB2 MET 21 HB2 MET 21 4.445 35.810 -11.688 145 HB3 MET 21 HB1 MET 21 5.080 34.431 -10.798 146 HG2 MET 21 HG2 MET 21 2.905 34.473 -9.468 147 HG3 MET 21 HG1 MET 21 2.306 35.609 -10.647 148 HE1 MET 21 HE1 MET 21 0.366 33.141 -10.265 149 HE2 MET 21 HE2 MET 21 0.050 33.163 -11.999 150 HE3 MET 21 HE3 MET 21 0.387 34.669 -11.145 151 H PHE 22 HN PHE 22 6.410 34.427 -8.855 152 HA PHE 22 HA PHE 22 8.845 35.762 -9.836 153 HB2 PHE 22 HB2 PHE 22 8.718 34.815 -6.929 154 HB3 PHE 22 HB1 PHE 22 9.895 35.893 -7.670 155 HD1 PHE 22 HD2 PHE 22 6.367 35.656 -6.513 156 HD2 PHE 22 HD1 PHE 22 9.485 38.263 -7.805 157 HE1 PHE 22 HE2 PHE 22 5.058 37.602 -5.784 158 HE2 PHE 22 HE1 PHE 22 8.160 40.200 -7.073 159 HZ PHE 22 HZ PHE 22 5.948 39.868 -6.068 160 H ARG 23 HN ARG 23 10.674 34.228 -9.761 161 HA ARG 23 HA ARG 23 9.701 31.405 -9.704 162 HB2 ARG 23 HB2 ARG 23 10.349 31.586 -11.906 163 HB3 ARG 23 HB1 ARG 23 11.374 32.948 -11.578 164 HG2 ARG 23 HG2 ARG 23 13.128 31.484 -10.681 165 HG3 ARG 23 HG1 ARG 23 12.072 30.086 -10.852 166 HD2 ARG 23 HD2 ARG 23 13.331 31.757 -13.042 167 HD3 ARG 23 HD1 ARG 23 13.479 30.020 -12.774 168 HE ARG 23 HE ARG 23 10.737 30.536 -13.210 169 HH11 ARG 23 HH21 ARG 23 11.649 32.520 -15.156 170 HH12 ARG 23 HH22 ARG 23 11.927 31.590 -16.590 171 HH21 ARG 23 HH11 ARG 23 12.005 28.550 -14.849 172 HH22 ARG 23 HH12 ARG 23 12.133 29.284 -16.413 173 H VAL 24 HN VAL 24 10.929 29.793 -8.861 174 HA VAL 24 HA VAL 24 13.254 30.721 -7.287 175 HB VAL 24 HB VAL 24 11.068 30.248 -5.978 176 HG11 VAL 24 HG21 VAL 24 11.887 27.386 -6.351 177 HG12 VAL 24 HG22 VAL 24 10.720 28.147 -7.422 178 HG13 VAL 24 HG23 VAL 24 10.382 28.026 -5.700 179 HG21 VAL 24 HG11 VAL 24 12.350 28.860 -4.244 180 HG22 VAL 24 HG12 VAL 24 13.104 30.374 -4.729 181 HG23 VAL 24 HG13 VAL 24 13.685 28.848 -5.389 182 H GLU 25 HN GLU 25 15.018 29.487 -7.367 183 HA GLU 25 HA GLU 25 14.864 27.273 -9.357 184 HB2 GLU 25 HB2 GLU 25 17.267 28.624 -7.991 185 HB3 GLU 25 HB1 GLU 25 17.351 27.477 -9.323 186 HG2 GLU 25 HG2 GLU 25 15.930 29.061 -10.680 187 HG3 GLU 25 HG1 GLU 25 16.068 30.230 -9.370 188 H LEU 26 HN LEU 26 14.894 25.399 -8.882 189 HA LEU 26 HA LEU 26 15.729 24.383 -6.239 190 HB2 LEU 26 HB2 LEU 26 13.627 23.396 -8.262 191 HB3 LEU 26 HB1 LEU 26 14.137 22.455 -6.868 192 HG LEU 26 HG LEU 26 13.080 25.284 -6.658 193 HD11 LEU 26 HD21 LEU 26 10.971 24.522 -6.878 194 HD12 LEU 26 HD22 LEU 26 11.258 23.266 -5.680 195 HD13 LEU 26 HD23 LEU 26 11.620 22.963 -7.376 196 HD21 LEU 26 HD11 LEU 26 13.794 23.061 -4.750 197 HD22 LEU 26 HD12 LEU 26 12.596 24.265 -4.279 198 HD23 LEU 26 HD13 LEU 26 14.235 24.765 -4.675 199 H GLU 27 HN GLU 27 17.294 25.233 -8.311 200 HA GLU 27 HA GLU 27 18.170 23.727 -10.384 201 HB2 GLU 27 HB2 GLU 27 20.450 24.558 -9.880 202 HB3 GLU 27 HB1 GLU 27 19.267 25.816 -9.535 203 HG2 GLU 27 HG2 GLU 27 19.942 25.887 -7.379 204 HG3 GLU 27 HG1 GLU 27 19.586 24.170 -7.191 205 H ASN 28 HN ASN 28 17.842 22.492 -7.324 206 HA ASN 28 HA ASN 28 20.075 20.673 -7.423 207 HB2 ASN 28 HB2 ASN 28 17.388 20.722 -5.945 208 HB3 ASN 28 HB1 ASN 28 18.456 19.327 -5.821 209 HD21 ASN 28 HD21 ASN 28 20.955 20.285 -5.514 210 HD22 ASN 28 HD22 ASN 28 21.073 21.363 -4.208 211 H GLY 29 HN GLY 29 18.344 21.210 -9.754 212 HA2 GLY 29 HA2 GLY 29 18.256 19.600 -11.605 213 HA3 GLY 29 HA1 GLY 29 17.520 18.471 -10.474 214 H HIS 30 HN HIS 30 16.053 21.235 -9.497 215 HA HIS 30 HA HIS 30 13.932 21.084 -11.627 216 HB2 HIS 30 HB2 HIS 30 13.567 21.244 -8.603 217 HB3 HIS 30 HB1 HIS 30 12.253 21.345 -9.766 218 HD1 HIS 30 HD1 HIS 30 14.152 19.067 -11.318 219 HD2 HIS 30 HD2 HIS 30 12.068 18.780 -7.853 220 HE1 HIS 30 HE1 HIS 30 13.833 16.688 -10.988 221 H VAL 31 HN VAL 31 12.590 22.895 -11.915 222 HA VAL 31 HA VAL 31 13.575 25.541 -10.781 223 HB VAL 31 HB VAL 31 14.114 24.819 -13.362 224 HG11 VAL 31 HG21 VAL 31 12.382 25.359 -14.927 225 HG12 VAL 31 HG22 VAL 31 11.360 26.045 -13.668 226 HG13 VAL 31 HG23 VAL 31 11.632 24.306 -13.735 227 HG21 VAL 31 HG11 VAL 31 12.882 27.535 -12.829 228 HG22 VAL 31 HG12 VAL 31 14.216 27.149 -13.911 229 HG23 VAL 31 HG13 VAL 31 14.445 27.064 -12.168 230 H VAL 32 HN VAL 32 11.702 27.046 -10.393 231 HA VAL 32 HA VAL 32 9.052 26.004 -11.213 232 HB VAL 32 HB VAL 32 9.844 26.390 -8.368 233 HG11 VAL 32 HG21 VAL 32 7.544 25.373 -7.966 234 HG12 VAL 32 HG22 VAL 32 7.218 25.839 -9.623 235 HG13 VAL 32 HG23 VAL 32 7.612 27.067 -8.427 236 HG21 VAL 32 HG11 VAL 32 9.306 23.960 -8.161 237 HG22 VAL 32 HG12 VAL 32 10.678 24.265 -9.216 238 HG23 VAL 32 HG13 VAL 32 9.093 23.920 -9.906 239 H THR 33 HN THR 33 7.352 27.334 -10.236 240 HA THR 33 HA THR 33 8.076 30.202 -10.305 241 HB THR 33 HB THR 33 5.964 28.656 -11.784 242 HG1 THR 33 HG1 THR 33 7.088 29.619 -13.272 243 HG21 THR 33 HG21 THR 33 4.623 30.269 -10.395 244 HG22 THR 33 HG22 THR 33 4.702 30.846 -12.055 245 HG23 THR 33 HG23 THR 33 5.738 31.563 -10.823 246 H ALA 34 HN ALA 34 7.252 31.376 -8.606 247 HA ALA 34 HA ALA 34 5.081 30.049 -7.059 248 HB1 ALA 34 HB1 ALA 34 7.813 30.886 -6.076 249 HB2 ALA 34 HB2 ALA 34 6.946 29.385 -5.763 250 HB3 ALA 34 HB3 ALA 34 6.446 30.873 -4.966 251 H HIS 35 HN HIS 35 4.448 31.464 -5.177 252 HA HIS 35 HA HIS 35 4.422 34.336 -5.983 253 HB2 HIS 35 HB2 HIS 35 2.326 33.183 -6.833 254 HB3 HIS 35 HB1 HIS 35 1.967 32.664 -5.189 255 HD1 HIS 35 HD1 HIS 35 -0.101 34.182 -5.189 256 HD2 HIS 35 HD2 HIS 35 3.317 36.293 -5.704 257 HE1 HIS 35 HE1 HIS 35 -0.750 36.490 -4.851 258 H ILE 36 HN ILE 36 4.202 35.725 -4.210 259 HA ILE 36 HA ILE 36 5.033 34.535 -1.679 260 HB ILE 36 HB ILE 36 5.783 36.811 -2.568 261 HG12 ILE 36 HG12 ILE 36 4.344 36.987 0.100 262 HG13 ILE 36 HG11 ILE 36 5.889 36.174 -0.127 263 HG21 ILE 36 HG21 ILE 36 4.222 38.664 -2.528 264 HG22 ILE 36 HG22 ILE 36 3.036 37.738 -1.611 265 HG23 ILE 36 HG23 ILE 36 3.343 37.348 -3.300 266 HD11 ILE 36 HD11 ILE 36 5.255 39.098 -0.210 267 HD12 ILE 36 HD12 ILE 36 6.500 38.514 -1.310 268 HD13 ILE 36 HD13 ILE 36 6.680 38.282 0.427 269 H SER 37 HN SER 37 3.867 34.468 0.229 270 HA SER 37 HA SER 37 1.018 34.108 -0.069 271 HB2 SER 37 HB2 SER 37 2.335 32.761 1.567 272 HB3 SER 37 HB1 SER 37 2.762 34.238 2.451 273 HG SER 37 HG SER 37 0.090 33.529 1.839 274 H GLY 38 HN GLY 38 -0.589 35.203 1.264 275 HA2 GLY 38 HA2 GLY 38 -0.242 38.098 1.094 276 HA3 GLY 38 HA1 GLY 38 -1.699 37.261 1.626 277 H LYS 39 HN LYS 39 -0.714 35.736 3.704 278 HA LYS 39 HA LYS 39 -0.832 37.446 5.903 279 HB2 LYS 39 HB2 LYS 39 0.507 34.739 5.497 280 HB3 LYS 39 HB1 LYS 39 0.532 35.531 7.070 281 HG2 LYS 39 HG2 LYS 39 -1.896 35.585 7.146 282 HG3 LYS 39 HG1 LYS 39 -2.004 34.988 5.494 283 HD2 LYS 39 HD2 LYS 39 -2.364 33.106 6.980 284 HD3 LYS 39 HD1 LYS 39 -0.775 32.913 6.248 285 HE2 LYS 39 HE2 LYS 39 0.249 33.048 8.259 286 HE3 LYS 39 HE1 LYS 39 -0.614 34.525 8.666 287 HZ1 LYS 39 HZ1 LYS 39 -2.530 32.646 8.885 288 HZ2 LYS 39 HZ2 LYS 39 -1.619 33.269 10.177 289 HZ3 LYS 39 HZ3 LYS 39 -1.157 31.812 9.437 290 H MET 40 HN MET 40 2.117 36.165 4.368 291 HA MET 40 HA MET 40 3.938 37.573 6.046 292 HB2 MET 40 HB2 MET 40 4.200 36.691 3.126 293 HB3 MET 40 HB1 MET 40 5.551 37.206 4.129 294 HG2 MET 40 HG2 MET 40 4.712 35.405 5.792 295 HG3 MET 40 HG1 MET 40 3.794 34.783 4.445 296 HE1 MET 40 HE1 MET 40 6.471 32.120 5.059 297 HE2 MET 40 HE2 MET 40 4.821 32.669 5.351 298 HE3 MET 40 HE3 MET 40 6.140 33.272 6.353 299 H ARG 41 HN ARG 41 2.260 38.495 3.097 300 HA ARG 41 HA ARG 41 3.673 40.864 2.487 301 HB2 ARG 41 HB2 ARG 41 1.395 39.560 1.535 302 HB3 ARG 41 HB1 ARG 41 0.733 41.060 2.170 303 HG2 ARG 41 HG2 ARG 41 2.735 42.177 0.894 304 HG3 ARG 41 HG1 ARG 41 2.764 40.670 -0.015 305 HD2 ARG 41 HD2 ARG 41 0.297 42.403 0.360 306 HD3 ARG 41 HD1 ARG 41 1.306 42.401 -1.084 307 HE ARG 41 HE ARG 41 0.530 39.715 -0.563 308 HH11 ARG 41 HH21 ARG 41 0.133 41.872 -2.871 309 HH12 ARG 41 HH22 ARG 41 -1.558 41.641 -3.168 310 HH21 ARG 41 HH11 ARG 41 -2.017 39.759 -0.245 311 HH22 ARG 41 HH12 ARG 41 -2.808 40.413 -1.641 312 H LYS 42 HN LYS 42 1.028 40.330 4.755 313 HA LYS 42 HA LYS 42 0.730 43.107 5.436 314 HB2 LYS 42 HB2 LYS 42 -0.149 40.481 6.694 315 HB3 LYS 42 HB1 LYS 42 -0.448 42.014 7.506 316 HG2 LYS 42 HG2 LYS 42 -1.769 42.828 5.664 317 HG3 LYS 42 HG1 LYS 42 -1.275 41.487 4.637 318 HD2 LYS 42 HD2 LYS 42 -2.381 39.920 6.281 319 HD3 LYS 42 HD1 LYS 42 -3.004 41.331 7.126 320 HE2 LYS 42 HE2 LYS 42 -4.408 41.941 5.350 321 HE3 LYS 42 HE1 LYS 42 -3.450 41.065 4.163 322 HZ1 LYS 42 HZ1 LYS 42 -4.625 39.232 4.488 323 HZ2 LYS 42 HZ2 LYS 42 -5.734 40.186 5.349 324 HZ3 LYS 42 HZ3 LYS 42 -4.515 39.346 6.179 325 H ASN 43 HN ASN 43 2.607 40.420 6.673 326 HA ASN 43 HA ASN 43 3.450 41.770 9.074 327 HB2 ASN 43 HB2 ASN 43 3.583 39.251 8.599 328 HB3 ASN 43 HB1 ASN 43 4.941 39.589 7.537 329 HD21 ASN 43 HD21 ASN 43 6.966 40.248 8.513 330 HD22 ASN 43 HD22 ASN 43 7.230 40.139 10.187 331 H TYR 44 HN TYR 44 3.687 43.106 6.388 332 HA TYR 44 HA TYR 44 5.221 44.393 5.171 333 HB2 TYR 44 HB2 TYR 44 6.650 45.829 6.755 334 HB3 TYR 44 HB1 TYR 44 4.927 45.840 7.110 335 HD1 TYR 44 HD2 TYR 44 4.061 44.319 8.965 336 HD2 TYR 44 HD1 TYR 44 8.220 45.017 8.369 337 HE1 TYR 44 HE2 TYR 44 4.521 43.549 11.247 338 HE2 TYR 44 HE1 TYR 44 8.675 44.236 10.645 339 HH TYR 44 HH TYR 44 6.930 44.171 12.954 340 H ILE 45 HN ILE 45 6.102 42.054 4.650 341 HA ILE 45 HA ILE 45 8.934 41.871 5.492 342 HB ILE 45 HB ILE 45 7.014 39.945 4.127 343 HG12 ILE 45 HG12 ILE 45 6.781 40.131 6.545 344 HG13 ILE 45 HG11 ILE 45 7.499 38.577 6.150 345 HG21 ILE 45 HG21 ILE 45 9.298 38.487 4.717 346 HG22 ILE 45 HG22 ILE 45 9.995 40.027 4.221 347 HG23 ILE 45 HG23 ILE 45 8.942 39.141 3.122 348 HD11 ILE 45 HD11 ILE 45 8.978 39.243 7.801 349 HD12 ILE 45 HD12 ILE 45 8.719 40.957 7.487 350 HD13 ILE 45 HD13 ILE 45 9.761 40.015 6.426 351 H ARG 46 HN ARG 46 9.677 43.594 4.174 352 HA ARG 46 HA ARG 46 9.259 44.111 1.498 353 HB2 ARG 46 HB2 ARG 46 11.246 44.753 3.414 354 HB3 ARG 46 HB1 ARG 46 12.147 44.075 2.064 355 HG2 ARG 46 HG2 ARG 46 10.832 45.623 0.538 356 HG3 ARG 46 HG1 ARG 46 10.197 46.396 1.985 357 HD2 ARG 46 HD2 ARG 46 12.193 47.599 1.114 358 HD3 ARG 46 HD1 ARG 46 12.492 46.939 2.720 359 HE ARG 46 HE ARG 46 13.409 44.933 1.092 360 HH11 ARG 46 HH21 ARG 46 14.148 48.139 1.909 361 HH12 ARG 46 HH22 ARG 46 15.603 48.222 0.971 362 HH21 ARG 46 HH11 ARG 46 15.109 45.052 -0.442 363 HH22 ARG 46 HH12 ARG 46 16.160 46.427 -0.395 364 H ILE 47 HN ILE 47 9.546 43.085 -0.387 365 HA ILE 47 HA ILE 47 10.682 40.422 -0.381 366 HB ILE 47 HB ILE 47 9.795 40.479 -2.686 367 HG12 ILE 47 HG12 ILE 47 9.473 43.374 -2.052 368 HG13 ILE 47 HG11 ILE 47 10.156 42.632 -3.494 369 HG21 ILE 47 HG21 ILE 47 8.305 40.092 -0.629 370 HG22 ILE 47 HG22 ILE 47 7.448 40.616 -2.079 371 HG23 ILE 47 HG23 ILE 47 7.808 41.773 -0.801 372 HD11 ILE 47 HD11 ILE 47 7.824 41.690 -3.957 373 HD12 ILE 47 HD12 ILE 47 7.983 43.436 -4.125 374 HD13 ILE 47 HD13 ILE 47 7.238 42.755 -2.682 375 H LEU 48 HN LEU 48 12.528 39.806 -1.459 376 HA LEU 48 HA LEU 48 14.012 41.865 -3.015 377 HB2 LEU 48 HB2 LEU 48 16.126 41.033 -1.758 378 HB3 LEU 48 HB1 LEU 48 15.043 42.076 -0.846 379 HG LEU 48 HG LEU 48 14.227 39.293 -0.628 380 HD11 LEU 48 HD11 LEU 48 16.708 38.970 -0.988 381 HD12 LEU 48 HD12 LEU 48 16.152 38.440 0.596 382 HD13 LEU 48 HD13 LEU 48 16.992 39.978 0.429 383 HD21 LEU 48 HD21 LEU 48 14.362 39.860 1.783 384 HD22 LEU 48 HD22 LEU 48 13.527 41.117 0.877 385 HD23 LEU 48 HD23 LEU 48 15.198 41.355 1.379 386 H THR 49 HN THR 49 15.719 40.963 -4.341 387 HA THR 49 HA THR 49 14.867 38.384 -5.455 388 HB THR 49 HB THR 49 15.850 40.411 -6.797 389 HG1 THR 49 HG1 THR 49 17.261 38.734 -7.921 390 HG21 THR 49 HG21 THR 49 18.254 40.649 -6.859 391 HG22 THR 49 HG22 THR 49 18.511 39.100 -6.063 392 HG23 THR 49 HG23 THR 49 17.943 40.484 -5.133 393 H GLY 50 HN GLY 50 15.660 36.599 -5.274 394 HA2 GLY 50 HA2 GLY 50 16.993 34.773 -4.694 395 HA3 GLY 50 HA1 GLY 50 18.278 35.897 -4.264 396 H ASP 51 HN ASP 51 15.213 34.632 -3.308 397 HA ASP 51 HA ASP 51 15.828 35.293 -0.482 398 HB2 ASP 51 HB2 ASP 51 13.229 34.598 -1.941 399 HB3 ASP 51 HB1 ASP 51 13.338 34.765 -0.191 400 H LYS 52 HN LYS 52 16.638 33.549 0.645 401 HA LYS 52 HA LYS 52 16.306 30.966 -0.687 402 HB2 LYS 52 HB2 LYS 52 17.977 32.056 1.422 403 HB3 LYS 52 HB1 LYS 52 17.020 30.794 2.190 404 HG2 LYS 52 HG2 LYS 52 18.743 29.482 1.390 405 HG3 LYS 52 HG1 LYS 52 17.721 29.460 -0.039 406 HD2 LYS 52 HD2 LYS 52 18.978 31.308 -1.021 407 HD3 LYS 52 HD1 LYS 52 19.928 31.486 0.448 408 HE2 LYS 52 HE2 LYS 52 20.127 28.757 -0.309 409 HE3 LYS 52 HE1 LYS 52 20.369 29.697 -1.776 410 HZ1 LYS 52 HZ1 LYS 52 21.791 30.989 0.202 411 HZ2 LYS 52 HZ2 LYS 52 22.415 30.076 -1.086 412 HZ3 LYS 52 HZ3 LYS 52 22.118 29.336 0.412 413 H VAL 53 HN VAL 53 14.283 30.094 -0.631 414 HA VAL 53 HA VAL 53 12.787 30.313 1.968 415 HB VAL 53 HB VAL 53 10.709 30.724 0.615 416 HG11 VAL 53 HG21 VAL 53 11.697 32.730 1.407 417 HG12 VAL 53 HG22 VAL 53 11.507 33.014 -0.316 418 HG13 VAL 53 HG23 VAL 53 13.078 32.574 0.333 419 HG21 VAL 53 HG11 VAL 53 11.131 29.744 -1.478 420 HG22 VAL 53 HG12 VAL 53 12.731 30.466 -1.599 421 HG23 VAL 53 HG13 VAL 53 11.301 31.459 -1.835 422 H ARG 54 HN ARG 54 10.607 29.074 1.760 423 HA ARG 54 HA ARG 54 11.436 26.305 0.946 424 HB2 ARG 54 HB2 ARG 54 10.676 26.889 3.343 425 HB3 ARG 54 HB1 ARG 54 9.062 27.098 2.676 426 HG2 ARG 54 HG2 ARG 54 9.000 24.806 1.933 427 HG3 ARG 54 HG1 ARG 54 10.713 24.586 2.274 428 HD2 ARG 54 HD2 ARG 54 8.466 24.972 4.272 429 HD3 ARG 54 HD1 ARG 54 9.543 23.586 4.117 430 HE ARG 54 HE ARG 54 10.651 26.252 4.880 431 HH11 ARG 54 HH11 ARG 54 9.256 24.419 6.919 432 HH12 ARG 54 HH12 ARG 54 10.623 23.629 7.630 433 HH21 ARG 54 HH21 ARG 54 12.788 24.629 5.060 434 HH22 ARG 54 HH22 ARG 54 12.678 23.751 6.550 435 H VAL 55 HN VAL 55 10.669 25.637 -0.913 436 HA VAL 55 HA VAL 55 8.209 26.869 -1.979 437 HB VAL 55 HB VAL 55 10.000 24.973 -3.506 438 HG11 VAL 55 HG11 VAL 55 8.672 27.521 -4.437 439 HG12 VAL 55 HG12 VAL 55 7.796 25.996 -4.372 440 HG13 VAL 55 HG13 VAL 55 9.211 26.152 -5.406 441 HG21 VAL 55 HG21 VAL 55 11.478 26.630 -2.356 442 HG22 VAL 55 HG22 VAL 55 10.534 27.933 -3.071 443 HG23 VAL 55 HG23 VAL 55 11.466 26.852 -4.103 444 H GLU 56 HN GLU 56 6.369 25.794 -2.081 445 HA GLU 56 HA GLU 56 6.454 22.864 -1.556 446 HB2 GLU 56 HB2 GLU 56 5.029 24.081 0.030 447 HB3 GLU 56 HB1 GLU 56 4.269 24.983 -1.268 448 HG2 GLU 56 HG2 GLU 56 3.128 23.048 -2.087 449 HG3 GLU 56 HG1 GLU 56 4.116 21.970 -1.108 450 H LEU 57 HN LEU 57 5.866 21.536 -3.159 451 HA LEU 57 HA LEU 57 5.095 22.843 -5.704 452 HB2 LEU 57 HB2 LEU 57 5.780 19.911 -5.133 453 HB3 LEU 57 HB1 LEU 57 5.674 20.668 -6.719 454 HG LEU 57 HG LEU 57 7.449 22.319 -5.299 455 HD11 LEU 57 HD11 LEU 57 8.193 19.415 -4.838 456 HD12 LEU 57 HD12 LEU 57 7.500 20.450 -3.592 457 HD13 LEU 57 HD13 LEU 57 9.068 20.841 -4.288 458 HD21 LEU 57 HD21 LEU 57 8.169 19.997 -7.125 459 HD22 LEU 57 HD22 LEU 57 9.109 21.464 -6.864 460 HD23 LEU 57 HD23 LEU 57 7.560 21.547 -7.698 461 H THR 58 HN THR 58 3.172 22.794 -6.497 462 HA THR 58 HA THR 58 0.938 21.832 -4.943 463 HB THR 58 HB THR 58 -0.316 22.640 -7.012 464 HG1 THR 58 HG1 THR 58 2.299 22.257 -7.928 465 HG21 THR 58 HG21 THR 58 0.350 24.620 -5.812 466 HG22 THR 58 HG22 THR 58 1.254 24.847 -7.306 467 HG23 THR 58 HG23 THR 58 2.057 24.190 -5.882 468 HA PRO 59 HA PRO 59 0.314 17.658 -5.955 469 HB2 PRO 59 HB2 PRO 59 -2.286 18.211 -7.279 470 HB3 PRO 59 HB1 PRO 59 -1.964 17.267 -5.823 471 HG2 PRO 59 HG2 PRO 59 -3.043 19.921 -5.928 472 HG3 PRO 59 HG1 PRO 59 -2.535 19.052 -4.478 473 HD2 PRO 59 HD1 PRO 59 -1.251 21.320 -5.692 474 HD3 PRO 59 HD2 PRO 59 -0.702 20.418 -4.278 475 H TYR 60 HN TYR 60 -0.110 20.134 -8.342 476 HA TYR 60 HA TYR 60 -0.045 18.316 -10.618 477 HB2 TYR 60 HB2 TYR 60 0.782 21.245 -10.647 478 HB3 TYR 60 HB1 TYR 60 -0.028 20.338 -11.921 479 HD1 TYR 60 HD2 TYR 60 -2.400 19.356 -11.248 480 HD2 TYR 60 HD1 TYR 60 -0.524 22.604 -9.245 481 HE1 TYR 60 HE2 TYR 60 -4.569 20.052 -10.339 482 HE2 TYR 60 HE1 TYR 60 -2.691 23.300 -8.341 483 HH TYR 60 HH TYR 60 -5.454 22.617 -9.447 484 H ASP 61 HN ASP 61 2.223 20.221 -8.761 485 HA ASP 61 HA ASP 61 4.554 20.377 -8.811 486 HB2 ASP 61 HB2 ASP 61 3.993 18.001 -7.970 487 HB3 ASP 61 HB1 ASP 61 4.345 17.437 -9.601 488 H LEU 62 HN LEU 62 3.309 21.012 -11.367 489 HA LEU 62 HA LEU 62 5.179 19.784 -13.286 490 HB2 LEU 62 HB2 LEU 62 3.605 21.816 -14.544 491 HB3 LEU 62 HB1 LEU 62 3.430 20.076 -14.713 492 HG LEU 62 HG LEU 62 2.137 20.209 -12.464 493 HD11 LEU 62 HD11 LEU 62 0.933 22.522 -12.385 494 HD12 LEU 62 HD12 LEU 62 2.279 23.100 -13.355 495 HD13 LEU 62 HD13 LEU 62 2.571 22.449 -11.747 496 HD21 LEU 62 HD21 LEU 62 1.301 20.959 -15.215 497 HD22 LEU 62 HD22 LEU 62 0.127 21.218 -13.932 498 HD23 LEU 62 HD23 LEU 62 0.778 19.609 -14.213 499 H SER 63 HN SER 63 4.044 23.114 -12.750 500 HA SER 63 HA SER 63 6.895 24.013 -12.895 501 HB2 SER 63 HB2 SER 63 4.613 25.412 -14.390 502 HB3 SER 63 HB1 SER 63 6.357 25.660 -14.595 503 HG SER 63 HG SER 63 5.113 23.139 -14.923 504 H LYS 64 HN LYS 64 3.790 24.316 -11.470 505 HA LYS 64 HA LYS 64 4.577 26.936 -10.274 506 HB2 LYS 64 HB2 LYS 64 1.907 25.481 -10.415 507 HB3 LYS 64 HB1 LYS 64 2.149 27.000 -9.557 508 HG2 LYS 64 HG2 LYS 64 2.950 28.045 -11.665 509 HG3 LYS 64 HG1 LYS 64 2.653 26.531 -12.515 510 HD2 LYS 64 HD2 LYS 64 0.748 28.067 -12.801 511 HD3 LYS 64 HD1 LYS 64 0.262 26.653 -11.872 512 HE2 LYS 64 HE2 LYS 64 -0.005 27.851 -9.931 513 HE3 LYS 64 HE1 LYS 64 1.329 28.938 -10.299 514 HZ1 LYS 64 HZ1 LYS 64 -1.250 29.611 -10.447 515 HZ2 LYS 64 HZ2 LYS 64 -0.949 29.170 -12.059 516 HZ3 LYS 64 HZ3 LYS 64 -0.012 30.379 -11.320 517 H GLY 65 HN GLY 65 4.449 27.378 -8.174 518 HA2 GLY 65 HA2 GLY 65 3.906 25.362 -6.132 519 HA3 GLY 65 HA1 GLY 65 5.614 25.796 -6.281 520 H ARG 66 HN ARG 66 4.951 26.585 -3.960 521 HA ARG 66 HA ARG 66 4.390 29.507 -4.253 522 HB2 ARG 66 HB2 ARG 66 2.948 29.259 -2.079 523 HB3 ARG 66 HB1 ARG 66 2.213 28.713 -3.580 524 HG2 ARG 66 HG2 ARG 66 3.094 26.388 -3.042 525 HG3 ARG 66 HG1 ARG 66 3.536 27.009 -1.457 526 HD2 ARG 66 HD2 ARG 66 1.202 25.865 -1.723 527 HD3 ARG 66 HD1 ARG 66 1.287 27.383 -0.832 528 HE ARG 66 HE ARG 66 0.505 27.295 -3.720 529 HH11 ARG 66 HH21 ARG 66 0.826 29.101 -0.911 530 HH12 ARG 66 HH22 ARG 66 -0.724 29.868 -1.005 531 HH21 ARG 66 HH11 ARG 66 -1.762 27.893 -3.707 532 HH22 ARG 66 HH12 ARG 66 -2.228 29.165 -2.630 533 H ILE 67 HN ILE 67 5.149 30.810 -2.427 534 HA ILE 67 HA ILE 67 7.419 29.392 -1.051 535 HB ILE 67 HB ILE 67 6.821 32.287 -1.728 536 HG12 ILE 67 HG12 ILE 67 9.307 30.676 -2.296 537 HG13 ILE 67 HG11 ILE 67 7.901 30.594 -3.349 538 HG21 ILE 67 HG21 ILE 67 7.913 32.744 0.276 539 HG22 ILE 67 HG22 ILE 67 9.361 32.288 -0.617 540 HG23 ILE 67 HG23 ILE 67 8.550 31.108 0.406 541 HD11 ILE 67 HD11 ILE 67 7.995 33.177 -3.383 542 HD12 ILE 67 HD12 ILE 67 9.242 32.322 -4.286 543 HD13 ILE 67 HD13 ILE 67 9.612 33.004 -2.706 544 H THR 68 HN THR 68 7.678 29.438 1.162 545 HA THR 68 HA THR 68 6.023 31.040 2.837 546 HB THR 68 HB THR 68 5.043 28.845 3.961 547 HG1 THR 68 HG1 THR 68 4.910 27.692 1.537 548 HG21 THR 68 HG21 THR 68 3.952 29.249 1.153 549 HG22 THR 68 HG22 THR 68 3.810 30.579 2.300 550 HG23 THR 68 HG23 THR 68 3.051 29.030 2.650 551 H TYR 69 HN TYR 69 8.108 31.455 3.305 552 HA TYR 69 HA TYR 69 9.192 31.275 5.683 553 HB2 TYR 69 HB2 TYR 69 8.994 28.808 5.856 554 HB3 TYR 69 HB1 TYR 69 9.884 28.598 4.354 555 HD1 TYR 69 HD2 TYR 69 10.144 29.679 7.878 556 HD2 TYR 69 HD1 TYR 69 12.303 28.761 4.327 557 HE1 TYR 69 HE2 TYR 69 12.240 29.695 9.150 558 HE2 TYR 69 HE1 TYR 69 14.400 28.783 5.600 559 HH TYR 69 HH TYR 69 14.482 29.692 9.012 560 H ARG 70 HN ARG 70 11.172 32.296 5.679 561 HA ARG 70 HA ARG 70 12.753 32.105 3.206 562 HB2 ARG 70 HB2 ARG 70 12.898 34.499 2.947 563 HB3 ARG 70 HB1 ARG 70 11.194 34.089 3.098 564 HG2 ARG 70 HG2 ARG 70 12.924 34.936 5.427 565 HG3 ARG 70 HG1 ARG 70 11.915 36.032 4.506 566 HD2 ARG 70 HD2 ARG 70 10.133 34.035 5.040 567 HD3 ARG 70 HD1 ARG 70 11.129 33.993 6.493 568 HE ARG 70 HE ARG 70 10.343 36.699 5.772 569 HH11 ARG 70 HH21 ARG 70 10.610 35.117 8.458 570 HH12 ARG 70 HH22 ARG 70 8.986 35.254 9.046 571 HH21 ARG 70 HH11 ARG 70 7.739 36.320 5.950 572 HH22 ARG 70 HH12 ARG 70 7.319 35.953 7.590 573 H ALA 71 HN ALA 71 14.909 32.593 3.318 574 HA ALA 71 HA ALA 71 16.004 33.167 5.993 575 HB1 ALA 71 HB1 ALA 71 17.755 31.245 5.017 576 HB2 ALA 71 HB2 ALA 71 16.201 30.629 4.466 577 HB3 ALA 71 HB3 ALA 71 16.477 30.913 6.181 578 H ARG 72 HN ARG 72 18.135 33.968 5.973 579 HA ARG 72 HA ARG 72 18.751 35.781 3.917 580 HB2 ARG 72 HB2 ARG 72 21.211 35.402 4.954 581 HB3 ARG 72 HB1 ARG 72 19.957 36.212 5.881 582 HG2 ARG 72 HG2 ARG 72 21.144 34.393 7.157 583 HG3 ARG 72 HG1 ARG 72 19.404 34.162 7.055 584 HD2 ARG 72 HD2 ARG 72 19.600 32.418 5.489 585 HD3 ARG 72 HD1 ARG 72 21.201 32.938 4.966 586 HE ARG 72 HE ARG 72 21.971 32.166 7.292 587 HH11 ARG 72 HH21 ARG 72 19.435 31.393 8.458 588 HH12 ARG 72 HH22 ARG 72 19.297 29.707 8.084 589 HH21 ARG 72 HH11 ARG 72 21.737 29.855 5.573 590 HH22 ARG 72 HH12 ARG 72 20.633 28.814 6.407
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