![]() |
NMR Restraints Grid |
![]() |
Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | cing | in_recoord | stage | position | program | type |
![]() |
5010 |
1g91 ![]() ![]() |
cing | recoord | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 HT1 MET 1 41.973 11.706 -0.674 2 2H MET 1 HT2 MET 1 42.856 10.301 -1.040 3 3H MET 1 HT3 MET 1 42.403 11.371 -2.280 4 HA MET 1 HA MET 1 44.395 11.826 -0.133 5 1HB MET 1 HB2 MET 1 44.629 12.003 -3.151 6 2HB MET 1 HB1 MET 1 45.943 12.071 -1.975 7 1HG MET 1 HG2 MET 1 46.064 9.842 -2.616 8 2HG MET 1 HG1 MET 1 44.976 9.723 -1.232 9 1HE MET 1 HE1 MET 1 44.288 7.824 -5.005 10 2HE MET 1 HE2 MET 1 45.547 7.865 -3.774 11 3HE MET 1 HE3 MET 1 45.475 9.135 -4.992 12 H ASP 2 HN ASP 2 43.557 13.734 0.768 13 HA ASP 2 HA ASP 2 43.074 15.984 -1.141 14 1HB ASP 2 HB2 ASP 2 41.756 15.114 1.320 15 2HB ASP 2 HB1 ASP 2 42.209 16.818 1.368 16 H ARG 3 HN ARG 3 45.624 15.829 -1.036 17 HA ARG 3 HA ARG 3 46.663 17.266 1.350 18 1HB ARG 3 HB2 ARG 3 47.716 15.236 -0.318 19 2HB ARG 3 HB1 ARG 3 48.676 16.682 -0.632 20 1HG ARG 3 HG2 ARG 3 49.700 16.518 1.367 21 2HG ARG 3 HG1 ARG 3 48.152 16.406 2.205 22 1HD ARG 3 HD2 ARG 3 49.627 14.118 0.867 23 2HD ARG 3 HD1 ARG 3 49.457 14.372 2.604 24 HE ARG 3 HE ARG 3 47.326 13.448 0.774 25 1HH1 ARG 3 HH21 ARG 3 48.314 12.305 3.490 26 2HH1 ARG 3 HH22 ARG 3 46.946 12.669 4.488 27 1HH2 ARG 3 HH11 ARG 3 45.553 14.895 2.223 28 2HH2 ARG 3 HH12 ARG 3 45.383 14.136 3.771 29 H PHE 4 HN PHE 4 46.142 19.425 1.036 30 HA PHE 4 HA PHE 4 47.081 20.650 -1.528 31 1HB PHE 4 HB2 PHE 4 45.403 22.523 -0.707 32 2HB PHE 4 HB1 PHE 4 44.798 21.100 -1.554 33 HD1 PHE 4 HD1 PHE 4 45.632 22.253 1.919 34 HD2 PHE 4 HD2 PHE 4 43.092 19.846 -0.573 35 HE1 PHE 4 HE1 PHE 4 44.256 21.657 3.895 36 HE2 PHE 4 HE2 PHE 4 41.717 19.251 1.403 37 HZ PHE 4 HZ PHE 4 42.299 20.157 3.637 38 H HIS 5 HN HIS 5 48.987 20.289 0.389 39 HA HIS 5 HA HIS 5 49.502 23.081 1.248 40 1HB HIS 5 HB2 HIS 5 50.297 22.202 3.488 41 2HB HIS 5 HB1 HIS 5 48.551 22.134 3.250 42 HD1 HIS 5 HD1 HIS 5 51.615 19.932 3.320 43 HD2 HIS 5 HD2 HIS 5 47.470 19.528 3.128 44 HE1 HIS 5 HE1 HIS 5 51.119 17.470 3.653 45 H ALA 6 HN ALA 6 51.365 23.445 0.119 46 HA ALA 6 HA ALA 6 53.521 23.095 -0.752 47 1HB ALA 6 HB1 ALA 6 55.133 22.218 0.840 48 2HB ALA 6 HB2 ALA 6 53.848 21.457 1.779 49 3HB ALA 6 HB3 ALA 6 53.971 23.215 1.717 50 H THR 7 HN THR 7 55.223 20.840 -0.525 51 HA THR 7 HA THR 7 53.571 18.669 -1.748 52 HB THR 7 HB THR 7 55.169 18.361 -3.493 53 HG1 THR 7 HG1 THR 7 56.754 19.975 -1.832 54 1HG2 THR 7 HG21 THR 7 55.471 21.227 -3.703 55 2HG2 THR 7 HG22 THR 7 53.857 20.826 -3.117 56 3HG2 THR 7 HG23 THR 7 54.435 20.150 -4.639 57 H SER 8 HN SER 8 55.076 19.274 0.928 58 HA SER 8 HA SER 8 56.951 16.981 0.955 59 1HB SER 8 HB2 SER 8 57.949 18.619 2.227 60 2HB SER 8 HB1 SER 8 56.411 19.327 2.710 61 HG SER 8 HG SER 8 57.619 18.144 4.374 62 H ALA 9 HN ALA 9 55.463 15.226 0.796 63 HA ALA 9 HA ALA 9 53.286 15.013 2.762 64 1HB ALA 9 HB1 ALA 9 52.444 13.451 1.352 65 2HB ALA 9 HB2 ALA 9 53.976 12.581 1.274 66 3HB ALA 9 HB3 ALA 9 53.697 13.972 0.226 67 H ASP 10 HN ASP 10 53.180 12.782 3.959 68 HA ASP 10 HA ASP 10 55.899 12.139 5.015 69 1HB ASP 10 HB2 ASP 10 54.310 11.559 7.122 70 2HB ASP 10 HB1 ASP 10 55.066 13.134 6.904 71 H CYS 11 HN CYS 11 52.624 10.973 4.328 72 HA CYS 11 HA CYS 11 53.406 8.193 4.921 73 1HB CYS 11 HB2 CYS 11 50.841 9.014 3.570 74 2HB CYS 11 HB1 CYS 11 51.135 7.646 4.644 75 H CYS 12 HN CYS 12 52.330 6.678 2.980 76 HA CYS 12 HA CYS 12 54.059 7.293 0.662 77 1HB CYS 12 HB2 CYS 12 52.593 4.862 1.647 78 2HB CYS 12 HB1 CYS 12 53.090 4.949 -0.043 79 H ILE 13 HN ILE 13 53.175 8.495 -0.947 80 HA ILE 13 HA ILE 13 50.265 8.112 -1.534 81 HB ILE 13 HB ILE 13 51.970 10.560 -2.083 82 1HG1 ILE 13 HG12 ILE 13 51.594 10.143 0.347 83 2HG1 ILE 13 HG11 ILE 13 50.756 11.589 -0.220 84 1HG2 ILE 13 HG21 ILE 13 50.250 11.213 -3.377 85 2HG2 ILE 13 HG22 ILE 13 49.159 11.056 -2.001 86 3HG2 ILE 13 HG23 ILE 13 49.433 9.681 -3.070 87 1HD1 ILE 13 HD11 ILE 13 48.756 10.725 0.348 88 2HD1 ILE 13 HD12 ILE 13 49.612 9.381 1.104 89 3HD1 ILE 13 HD13 ILE 13 49.080 9.256 -0.573 90 H SER 14 HN SER 14 53.123 7.095 -2.610 91 HA SER 14 HA SER 14 52.169 6.560 -5.281 92 1HB SER 14 HB2 SER 14 53.633 7.927 -6.576 93 2HB SER 14 HB1 SER 14 52.912 9.011 -5.390 94 HG SER 14 HG SER 14 55.399 8.785 -5.785 95 H TYR 15 HN TYR 15 53.113 4.653 -5.842 96 HA TYR 15 HA TYR 15 55.623 3.890 -4.419 97 1HB TYR 15 HB2 TYR 15 53.529 2.177 -5.792 98 2HB TYR 15 HB1 TYR 15 54.978 1.559 -4.998 99 HD1 TYR 15 HD1 TYR 15 51.648 2.999 -4.516 100 HD2 TYR 15 HD2 TYR 15 55.263 1.774 -2.547 101 HE1 TYR 15 HE1 TYR 15 50.475 3.051 -2.331 102 HE2 TYR 15 HE2 TYR 15 54.091 1.825 -0.362 103 HH TYR 15 HH TYR 15 51.776 3.295 0.447 104 H THR 16 HN THR 16 57.465 3.566 -5.595 105 HA THR 16 HA THR 16 57.710 4.437 -8.274 106 HB THR 16 HB THR 16 59.651 4.264 -6.813 107 HG1 THR 16 HG1 THR 16 61.021 3.344 -8.289 108 1HG2 THR 16 HG21 THR 16 58.560 1.650 -6.325 109 2HG2 THR 16 HG22 THR 16 59.857 2.479 -5.465 110 3HG2 THR 16 HG23 THR 16 60.228 1.489 -6.877 111 HA PRO 17 HA PRO 17 55.842 0.741 -10.054 112 1HB PRO 17 HB2 PRO 17 55.381 1.903 -12.501 113 2HB PRO 17 HB1 PRO 17 54.307 2.103 -11.106 114 1HG PRO 17 HG2 PRO 17 56.234 4.049 -12.285 115 2HG PRO 17 HG1 PRO 17 54.758 4.355 -11.355 116 1HD PRO 17 HD2 PRO 17 57.409 4.497 -10.364 117 2HD PRO 17 HD1 PRO 17 55.925 4.489 -9.388 118 H ARG 18 HN ARG 18 58.357 0.177 -9.852 119 HA ARG 18 HA ARG 18 59.239 -0.547 -12.559 120 1HB ARG 18 HB2 ARG 18 60.660 1.481 -10.860 121 2HB ARG 18 HB1 ARG 18 61.604 0.405 -11.892 122 1HG ARG 18 HG2 ARG 18 59.491 1.275 -13.516 123 2HG ARG 18 HG1 ARG 18 60.003 2.714 -12.633 124 1HD ARG 18 HD2 ARG 18 62.158 2.655 -13.512 125 2HD ARG 18 HD1 ARG 18 62.087 0.923 -13.837 126 HE ARG 18 HE ARG 18 60.355 1.626 -15.654 127 1HH1 ARG 18 HH21 ARG 18 61.446 4.484 -14.600 128 2HH1 ARG 18 HH22 ARG 18 62.296 4.956 -16.033 129 1HH2 ARG 18 HH11 ARG 18 62.121 1.814 -17.490 130 2HH2 ARG 18 HH12 ARG 18 62.679 3.444 -17.669 131 H SER 19 HN SER 19 60.471 -2.426 -12.511 132 HA SER 19 HA SER 19 60.621 -3.820 -9.940 133 1HB SER 19 HB2 SER 19 61.608 -4.666 -12.681 134 2HB SER 19 HB1 SER 19 61.451 -5.712 -11.272 135 HG SER 19 HG SER 19 59.438 -5.937 -11.794 136 H ILE 20 HN ILE 20 62.160 -2.021 -9.149 137 HA ILE 20 HA ILE 20 64.878 -2.031 -10.168 138 HB ILE 20 HB ILE 20 63.893 -1.058 -7.471 139 1HG1 ILE 20 HG12 ILE 20 64.243 0.700 -9.883 140 2HG1 ILE 20 HG11 ILE 20 62.742 -0.205 -9.686 141 1HG2 ILE 20 HG21 ILE 20 66.348 -1.235 -7.733 142 2HG2 ILE 20 HG22 ILE 20 65.834 0.449 -7.636 143 3HG2 ILE 20 HG23 ILE 20 66.257 -0.255 -9.196 144 1HD1 ILE 20 HD11 ILE 20 62.811 2.164 -8.680 145 2HD1 ILE 20 HD12 ILE 20 63.879 1.481 -7.454 146 3HD1 ILE 20 HD13 ILE 20 62.235 0.869 -7.632 147 HA PRO 21 HA PRO 21 66.211 -5.605 -7.933 148 1HB PRO 21 HB2 PRO 21 68.906 -5.256 -8.345 149 2HB PRO 21 HB1 PRO 21 67.798 -5.867 -9.585 150 1HG PRO 21 HG2 PRO 21 69.065 -3.178 -9.362 151 2HG PRO 21 HG1 PRO 21 68.491 -4.031 -10.804 152 1HD PRO 21 HD2 PRO 21 67.135 -1.936 -9.460 153 2HD PRO 21 HD1 PRO 21 66.446 -3.003 -10.702 154 H CYS 22 HN CYS 22 67.395 -6.125 -5.953 155 HA CYS 22 HA CYS 22 67.361 -4.014 -3.987 156 1HB CYS 22 HB2 CYS 22 67.060 -6.559 -3.628 157 2HB CYS 22 HB1 CYS 22 68.821 -6.636 -3.660 158 H SER 23 HN SER 23 69.911 -5.548 -5.901 159 HA SER 23 HA SER 23 72.159 -4.472 -4.530 160 1HB SER 23 HB2 SER 23 72.319 -6.201 -6.307 161 2HB SER 23 HB1 SER 23 71.859 -4.994 -7.505 162 HG SER 23 HG SER 23 73.722 -3.790 -6.794 163 H LEU 24 HN LEU 24 69.786 -2.951 -6.534 164 HA LEU 24 HA LEU 24 71.502 -0.600 -7.054 165 1HB LEU 24 HB2 LEU 24 68.992 -1.675 -8.114 166 2HB LEU 24 HB1 LEU 24 68.916 0.063 -7.819 167 HG LEU 24 HG LEU 24 71.078 0.304 -9.077 168 1HD1 LEU 24 HD11 LEU 24 71.143 -2.482 -8.775 169 2HD1 LEU 24 HD12 LEU 24 72.246 -1.507 -9.746 170 3HD1 LEU 24 HD13 LEU 24 70.818 -2.226 -10.489 171 1HD2 LEU 24 HD21 LEU 24 68.776 -1.003 -10.563 172 2HD2 LEU 24 HD22 LEU 24 70.050 -0.041 -11.311 173 3HD2 LEU 24 HD23 LEU 24 68.920 0.714 -10.186 174 H LEU 25 HN LEU 25 70.320 -1.576 -4.323 175 HA LEU 25 HA LEU 25 69.322 1.129 -3.532 176 1HB LEU 25 HB2 LEU 25 68.333 -1.567 -2.555 177 2HB LEU 25 HB1 LEU 25 67.854 -0.014 -1.868 178 HG LEU 25 HG LEU 25 67.533 -0.618 -4.810 179 1HD1 LEU 25 HD11 LEU 25 65.843 -1.426 -2.478 180 2HD1 LEU 25 HD12 LEU 25 66.118 -2.263 -4.006 181 3HD1 LEU 25 HD13 LEU 25 65.028 -0.878 -3.942 182 1HD2 LEU 25 HD21 LEU 25 65.850 1.188 -4.628 183 2HD2 LEU 25 HD22 LEU 25 67.437 1.742 -4.094 184 3HD2 LEU 25 HD23 LEU 25 66.199 1.334 -2.906 185 H GLU 26 HN GLU 26 69.586 1.429 -1.073 186 HA GLU 26 HA GLU 26 72.121 0.100 -0.200 187 1HB GLU 26 HB2 GLU 26 71.349 2.928 -0.355 188 2HB GLU 26 HB1 GLU 26 71.985 2.466 1.224 189 1HG GLU 26 HG2 GLU 26 73.333 2.036 -1.458 190 2HG GLU 26 HG1 GLU 26 73.836 3.164 -0.199 191 H SER 27 HN SER 27 69.106 1.635 0.943 192 HA SER 27 HA SER 27 68.884 -0.415 3.036 193 1HB SER 27 HB2 SER 27 70.254 1.855 3.726 194 2HB SER 27 HB1 SER 27 68.606 2.301 4.159 195 HG SER 27 HG SER 27 68.509 0.613 5.542 196 H TYR 28 HN TYR 28 66.843 0.436 4.507 197 HA TYR 28 HA TYR 28 64.851 1.964 3.068 198 1HB TYR 28 HB2 TYR 28 63.356 0.204 2.415 199 2HB TYR 28 HB1 TYR 28 64.941 -0.229 1.774 200 HD1 TYR 28 HD1 TYR 28 62.174 -1.421 3.594 201 HD2 TYR 28 HD2 TYR 28 66.463 -1.624 3.472 202 HE1 TYR 28 HE1 TYR 28 62.110 -3.547 4.869 203 HE2 TYR 28 HE2 TYR 28 66.399 -3.750 4.747 204 HH TYR 28 HH TYR 28 64.636 -4.818 6.449 205 H PHE 29 HN PHE 29 62.694 1.814 4.247 206 HA PHE 29 HA PHE 29 62.780 0.623 6.931 207 1HB PHE 29 HB2 PHE 29 62.142 3.021 7.841 208 2HB PHE 29 HB1 PHE 29 63.836 2.566 7.657 209 HD1 PHE 29 HD1 PHE 29 61.095 4.620 6.340 210 HD2 PHE 29 HD2 PHE 29 65.177 3.408 5.771 211 HE1 PHE 29 HE1 PHE 29 61.427 6.489 4.743 212 HE2 PHE 29 HE2 PHE 29 65.509 5.276 4.174 213 HZ PHE 29 HZ PHE 29 63.634 6.817 3.661 214 H GLU 30 HN GLU 30 60.649 1.422 8.131 215 HA GLU 30 HA GLU 30 58.469 1.253 6.099 216 1HB GLU 30 HB2 GLU 30 58.012 0.793 9.027 217 2HB GLU 30 HB1 GLU 30 57.207 0.055 7.642 218 1HG GLU 30 HG2 GLU 30 59.769 -0.796 7.253 219 2HG GLU 30 HG1 GLU 30 59.702 -0.740 9.015 220 H THR 31 HN THR 31 56.707 2.712 6.231 221 HA THR 31 HA THR 31 57.348 5.322 7.327 222 HB THR 31 HB THR 31 54.859 5.734 6.635 223 HG1 THR 31 HG1 THR 31 53.874 4.030 5.963 224 1HG2 THR 31 HG21 THR 31 56.767 6.526 5.333 225 2HG2 THR 31 HG22 THR 31 55.549 5.856 4.247 226 3HG2 THR 31 HG23 THR 31 56.991 4.919 4.641 227 H ASN 32 HN ASN 32 55.438 6.433 8.644 228 HA ASN 32 HA ASN 32 55.311 5.059 11.183 229 1HB ASN 32 HB2 ASN 32 55.335 7.566 10.876 230 2HB ASN 32 HB1 ASN 32 53.672 7.450 10.299 231 1HD2 ASN 32 HD21 ASN 32 54.647 8.772 12.805 232 2HD2 ASN 32 HD22 ASN 32 53.835 7.997 14.078 233 H SER 33 HN SER 33 53.732 3.712 11.944 234 HA SER 33 HA SER 33 51.720 2.673 10.188 235 1HB SER 33 HB2 SER 33 52.157 2.475 13.170 236 2HB SER 33 HB1 SER 33 50.787 1.700 12.381 237 HG SER 33 HG SER 33 52.251 0.170 12.156 238 H GLU 34 HN GLU 34 51.819 5.491 12.148 239 HA GLU 34 HA GLU 34 48.993 5.747 12.676 240 1HB GLU 34 HB2 GLU 34 51.334 7.636 12.671 241 2HB GLU 34 HB1 GLU 34 49.694 8.269 12.818 242 1HG GLU 34 HG2 GLU 34 49.849 6.058 14.576 243 2HG GLU 34 HG1 GLU 34 51.320 6.998 14.832 244 H CYS 35 HN CYS 35 50.968 6.267 9.877 245 HA CYS 35 HA CYS 35 49.261 8.157 8.526 246 1HB CYS 35 HB2 CYS 35 51.505 6.348 7.764 247 2HB CYS 35 HB1 CYS 35 50.445 6.899 6.466 248 H SER 36 HN SER 36 47.306 7.786 7.592 249 HA SER 36 HA SER 36 45.849 5.410 7.827 250 1HB SER 36 HB2 SER 36 45.471 7.155 5.409 251 2HB SER 36 HB1 SER 36 44.253 6.377 6.416 252 HG SER 36 HG SER 36 44.278 8.054 7.679 253 H LYS 37 HN LYS 37 47.960 6.437 5.154 254 HA LYS 37 HA LYS 37 47.727 3.662 4.058 255 1HB LYS 37 HB2 LYS 37 48.569 6.142 2.536 256 2HB LYS 37 HB1 LYS 37 48.169 4.559 1.868 257 1HG LYS 37 HG2 LYS 37 45.892 5.098 3.259 258 2HG LYS 37 HG1 LYS 37 46.375 6.728 2.788 259 1HD LYS 37 HD2 LYS 37 45.905 6.358 0.601 260 2HD LYS 37 HD1 LYS 37 46.636 4.753 0.626 261 1HE LYS 37 HE2 LYS 37 44.251 4.517 0.206 262 2HE LYS 37 HE1 LYS 37 44.608 3.901 1.820 263 1HZ LYS 37 HZ1 LYS 37 43.112 5.320 2.589 264 2HZ LYS 37 HZ2 LYS 37 42.913 6.038 1.063 265 3HZ LYS 37 HZ3 LYS 37 44.119 6.601 2.118 266 HA PRO 38 HA PRO 38 52.032 4.034 5.511 267 1HB PRO 38 HB2 PRO 38 52.156 1.434 6.397 268 2HB PRO 38 HB1 PRO 38 51.549 2.776 7.382 269 1HG PRO 38 HG2 PRO 38 50.021 0.605 6.025 270 2HG PRO 38 HG1 PRO 38 49.593 1.548 7.461 271 1HD PRO 38 HD2 PRO 38 48.583 1.955 4.846 272 2HD PRO 38 HD1 PRO 38 48.422 3.075 6.216 273 H GLY 39 HN GLY 39 53.921 2.440 4.928 274 1HA GLY 39 HA2 GLY 39 53.688 0.502 2.905 275 2HA GLY 39 HA1 GLY 39 53.977 2.054 2.126 276 H VAL 40 HN VAL 40 55.967 0.419 1.643 277 HA VAL 40 HA VAL 40 58.024 0.820 3.764 278 HB VAL 40 HB VAL 40 57.960 -1.008 1.345 279 1HG1 VAL 40 HG11 VAL 40 60.054 -1.528 3.282 280 2HG1 VAL 40 HG12 VAL 40 60.203 0.104 2.630 281 3HG1 VAL 40 HG13 VAL 40 60.188 -1.283 1.541 282 1HG2 VAL 40 HG21 VAL 40 56.609 -1.480 3.527 283 2HG2 VAL 40 HG22 VAL 40 58.188 -1.801 4.244 284 3HG2 VAL 40 HG23 VAL 40 57.628 -2.764 2.877 285 H ILE 41 HN ILE 41 59.855 2.047 3.334 286 HA ILE 41 HA ILE 41 59.907 3.411 0.671 287 HB ILE 41 HB ILE 41 60.752 4.367 3.418 288 1HG1 ILE 41 HG12 ILE 41 58.792 5.452 1.368 289 2HG1 ILE 41 HG11 ILE 41 58.348 4.560 2.824 290 1HG2 ILE 41 HG21 ILE 41 62.467 5.221 2.057 291 2HG2 ILE 41 HG22 ILE 41 61.268 6.514 2.028 292 3HG2 ILE 41 HG23 ILE 41 61.400 5.403 0.665 293 1HD1 ILE 41 HD11 ILE 41 59.285 6.290 4.240 294 2HD1 ILE 41 HD12 ILE 41 58.191 7.055 3.088 295 3HD1 ILE 41 HD13 ILE 41 59.935 7.142 2.840 296 H PHE 42 HN PHE 42 61.577 2.739 -0.575 297 HA PHE 42 HA PHE 42 63.929 1.489 0.739 298 1HB PHE 42 HB2 PHE 42 62.823 1.467 -2.063 299 2HB PHE 42 HB1 PHE 42 64.492 0.985 -1.755 300 HD1 PHE 42 HD1 PHE 42 64.972 -0.907 -0.174 301 HD2 PHE 42 HD2 PHE 42 60.990 0.051 -1.470 302 HE1 PHE 42 HE1 PHE 42 64.192 -3.140 0.573 303 HE2 PHE 42 HE2 PHE 42 60.210 -2.181 -0.723 304 HZ PHE 42 HZ PHE 42 61.810 -3.777 0.299 305 H LEU 43 HN LEU 43 65.914 2.477 0.743 306 HA LEU 43 HA LEU 43 66.083 5.144 -0.578 307 1HB LEU 43 HB2 LEU 43 66.470 4.823 1.954 308 2HB LEU 43 HB1 LEU 43 67.993 4.062 1.493 309 HG LEU 43 HG LEU 43 67.638 6.526 0.026 310 1HD1 LEU 43 HD11 LEU 43 67.711 8.100 1.892 311 2HD1 LEU 43 HD12 LEU 43 67.617 6.773 3.050 312 3HD1 LEU 43 HD13 LEU 43 66.242 7.131 2.005 313 1HD2 LEU 43 HD21 LEU 43 69.618 5.290 1.918 314 2HD2 LEU 43 HD22 LEU 43 69.791 6.989 1.480 315 3HD2 LEU 43 HD23 LEU 43 69.830 5.747 0.228 316 H THR 44 HN THR 44 67.481 5.409 -2.264 317 HA THR 44 HA THR 44 69.152 3.090 -3.047 318 HB THR 44 HB THR 44 69.383 4.230 -5.190 319 HG1 THR 44 HG1 THR 44 68.056 6.345 -3.847 320 1HG2 THR 44 HG21 THR 44 67.383 3.123 -5.359 321 2HG2 THR 44 HG22 THR 44 66.759 4.769 -5.467 322 3HG2 THR 44 HG23 THR 44 66.709 3.906 -3.930 323 H LYS 45 HN LYS 45 71.381 3.773 -4.022 324 HA LYS 45 HA LYS 45 72.859 5.114 -1.898 325 1HB LYS 45 HB2 LYS 45 73.673 3.142 -3.326 326 2HB LYS 45 HB1 LYS 45 73.950 4.326 -4.605 327 1HG LYS 45 HG2 LYS 45 75.476 5.578 -3.191 328 2HG LYS 45 HG1 LYS 45 75.112 4.538 -1.813 329 1HD LYS 45 HD2 LYS 45 77.243 3.883 -2.875 330 2HD LYS 45 HD1 LYS 45 76.041 2.601 -3.025 331 1HE LYS 45 HE2 LYS 45 76.079 2.723 -5.276 332 2HE LYS 45 HE1 LYS 45 75.864 4.473 -5.242 333 1HZ LYS 45 HZ1 LYS 45 78.405 2.965 -4.989 334 2HZ LYS 45 HZ2 LYS 45 78.270 4.631 -4.680 335 3HZ LYS 45 HZ3 LYS 45 77.954 4.023 -6.235 336 H LYS 46 HN LYS 46 71.015 6.347 -4.318 337 HA LYS 46 HA LYS 46 72.866 8.608 -4.901 338 1HB LYS 46 HB2 LYS 46 71.461 7.268 -6.695 339 2HB LYS 46 HB1 LYS 46 70.154 8.321 -6.156 340 1HG LYS 46 HG2 LYS 46 71.862 10.250 -6.480 341 2HG LYS 46 HG1 LYS 46 72.770 9.083 -7.444 342 1HD LYS 46 HD2 LYS 46 71.360 9.320 -9.185 343 2HD LYS 46 HD1 LYS 46 69.957 9.035 -8.153 344 1HE LYS 46 HE2 LYS 46 69.973 11.379 -7.440 345 2HE LYS 46 HE1 LYS 46 71.419 11.680 -8.404 346 1HZ LYS 46 HZ1 LYS 46 69.865 12.307 -9.901 347 2HZ LYS 46 HZ2 LYS 46 68.657 11.301 -9.259 348 3HZ LYS 46 HZ3 LYS 46 69.865 10.650 -10.261 349 H GLY 47 HN GLY 47 71.413 8.155 -2.326 350 1HA GLY 47 HA2 GLY 47 70.209 9.413 -0.769 351 2HA GLY 47 HA1 GLY 47 70.665 10.804 -1.748 352 H ARG 48 HN ARG 48 68.847 8.212 -3.190 353 HA ARG 48 HA ARG 48 66.422 9.968 -3.158 354 1HB ARG 48 HB2 ARG 48 67.503 9.831 -5.396 355 2HB ARG 48 HB1 ARG 48 67.315 8.077 -5.357 356 1HG ARG 48 HG2 ARG 48 65.283 8.388 -6.288 357 2HG ARG 48 HG1 ARG 48 64.773 9.046 -4.733 358 1HD ARG 48 HD2 ARG 48 64.245 10.799 -6.185 359 2HD ARG 48 HD1 ARG 48 65.851 11.266 -5.625 360 HE ARG 48 HE ARG 48 66.754 10.441 -7.768 361 1HH1 ARG 48 HH21 ARG 48 63.750 9.128 -7.838 362 2HH1 ARG 48 HH22 ARG 48 63.257 9.801 -9.356 363 1HH2 ARG 48 HH11 ARG 48 65.949 11.977 -9.566 364 2HH2 ARG 48 HH12 ARG 48 64.502 11.414 -10.334 365 H ARG 49 HN ARG 49 64.685 9.027 -2.198 366 HA ARG 49 HA ARG 49 64.558 6.040 -2.155 367 1HB ARG 49 HB2 ARG 49 63.545 6.269 0.149 368 2HB ARG 49 HB1 ARG 49 65.250 6.711 0.059 369 1HG ARG 49 HG2 ARG 49 64.829 8.868 0.596 370 2HG ARG 49 HG1 ARG 49 63.459 8.959 -0.512 371 1HD ARG 49 HD2 ARG 49 61.941 8.393 1.103 372 2HD ARG 49 HD1 ARG 49 63.058 7.294 1.912 373 HE ARG 49 HE ARG 49 64.022 9.932 2.307 374 1HH1 ARG 49 HH21 ARG 49 60.869 9.912 2.537 375 2HH1 ARG 49 HH22 ARG 49 60.720 9.845 4.261 376 1HH2 ARG 49 HH11 ARG 49 64.040 8.994 4.781 377 2HH2 ARG 49 HH12 ARG 49 62.515 9.326 5.532 378 H PHE 50 HN PHE 50 62.412 5.177 -2.188 379 HA PHE 50 HA PHE 50 60.206 7.136 -2.578 380 1HB PHE 50 HB2 PHE 50 59.479 5.475 -4.497 381 2HB PHE 50 HB1 PHE 50 60.646 6.753 -4.835 382 HD1 PHE 50 HD1 PHE 50 62.470 6.077 -6.104 383 HD2 PHE 50 HD2 PHE 50 60.737 3.322 -3.301 384 HE1 PHE 50 HE1 PHE 50 64.156 4.372 -6.738 385 HE2 PHE 50 HE2 PHE 50 62.423 1.617 -3.934 386 HZ PHE 50 HZ PHE 50 64.133 2.142 -5.652 387 H CYS 51 HN CYS 51 58.061 5.711 -2.851 388 HA CYS 51 HA CYS 51 58.022 3.942 -0.495 389 1HB CYS 51 HB2 CYS 51 55.944 5.244 -2.233 390 2HB CYS 51 HB1 CYS 51 55.495 3.898 -1.191 391 H ALA 52 HN ALA 52 57.070 1.776 -0.624 392 HA ALA 52 HA ALA 52 56.871 0.571 -3.316 393 1HB ALA 52 HB1 ALA 52 58.606 -0.896 -1.380 394 2HB ALA 52 HB2 ALA 52 59.313 0.487 -2.215 395 3HB ALA 52 HB3 ALA 52 58.666 -0.867 -3.142 396 H ASN 53 HN ASN 53 55.489 -1.210 -3.322 397 HA ASN 53 HA ASN 53 53.871 -1.600 -0.925 398 1HB ASN 53 HB2 ASN 53 53.002 -1.643 -3.317 399 2HB ASN 53 HB1 ASN 53 53.782 -3.216 -3.484 400 1HD2 ASN 53 HD21 ASN 53 51.002 -1.564 -2.189 401 2HD2 ASN 53 HD22 ASN 53 50.274 -2.921 -1.475 402 HA PRO 54 HA PRO 54 56.256 -4.985 0.614 403 1HB PRO 54 HB2 PRO 54 54.409 -5.889 2.441 404 2HB PRO 54 HB1 PRO 54 55.424 -4.459 2.697 405 1HG PRO 54 HG2 PRO 54 52.524 -4.604 2.004 406 2HG PRO 54 HG1 PRO 54 53.407 -3.343 2.880 407 1HD PRO 54 HD2 PRO 54 52.602 -3.207 0.179 408 2HD PRO 54 HD1 PRO 54 53.793 -2.146 0.960 409 H SER 55 HN SER 55 53.636 -5.236 -1.391 410 HA SER 55 HA SER 55 53.380 -8.186 -1.130 411 1HB SER 55 HB2 SER 55 51.854 -6.234 -2.881 412 2HB SER 55 HB1 SER 55 51.503 -7.952 -2.707 413 HG SER 55 HG SER 55 51.629 -6.205 -0.487 414 H ASP 56 HN ASP 56 55.287 -5.967 -2.744 415 HA ASP 56 HA ASP 56 55.386 -7.287 -5.344 416 1HB ASP 56 HB2 ASP 56 55.977 -4.887 -5.039 417 2HB ASP 56 HB1 ASP 56 57.369 -5.375 -4.071 418 H LYS 57 HN LYS 57 56.651 -9.012 -5.897 419 HA LYS 57 HA LYS 57 57.963 -10.578 -3.903 420 1HB LYS 57 HB2 LYS 57 59.049 -11.668 -6.003 421 2HB LYS 57 HB1 LYS 57 57.297 -11.769 -5.823 422 1HG LYS 57 HG2 LYS 57 56.896 -10.187 -7.480 423 2HG LYS 57 HG1 LYS 57 58.472 -9.422 -7.273 424 1HD LYS 57 HD2 LYS 57 59.084 -10.591 -9.116 425 2HD LYS 57 HD1 LYS 57 59.155 -11.985 -8.036 426 1HE LYS 57 HE2 LYS 57 56.628 -11.127 -9.466 427 2HE LYS 57 HE1 LYS 57 57.747 -12.326 -10.117 428 1HZ LYS 57 HZ1 LYS 57 57.445 -13.316 -7.711 429 2HZ LYS 57 HZ2 LYS 57 56.363 -13.684 -8.968 430 3HZ LYS 57 HZ3 LYS 57 55.958 -12.506 -7.813 431 H GLN 58 HN GLN 58 59.154 -8.103 -6.129 432 HA GLN 58 HA GLN 58 61.955 -8.584 -5.630 433 1HB GLN 58 HB2 GLN 58 60.537 -7.004 -7.380 434 2HB GLN 58 HB1 GLN 58 61.188 -5.810 -6.257 435 1HG GLN 58 HG2 GLN 58 62.828 -6.106 -7.994 436 2HG GLN 58 HG1 GLN 58 63.450 -6.911 -6.553 437 1HE2 GLN 58 HE21 GLN 58 63.673 -7.445 -9.650 438 2HE2 GLN 58 HE22 GLN 58 63.371 -9.111 -9.763 439 H VAL 59 HN VAL 59 59.448 -6.865 -3.919 440 HA VAL 59 HA VAL 59 61.230 -5.244 -2.302 441 HB VAL 59 HB VAL 59 58.336 -6.075 -1.991 442 1HG1 VAL 59 HG11 VAL 59 58.972 -5.739 0.246 443 2HG1 VAL 59 HG12 VAL 59 58.417 -4.138 -0.245 444 3HG1 VAL 59 HG13 VAL 59 60.144 -4.490 -0.177 445 1HG2 VAL 59 HG21 VAL 59 59.467 -3.309 -2.414 446 2HG2 VAL 59 HG22 VAL 59 57.838 -3.895 -2.754 447 3HG2 VAL 59 HG23 VAL 59 59.186 -4.392 -3.778 448 H GLN 60 HN GLN 60 59.490 -8.316 -1.760 449 HA GLN 60 HA GLN 60 60.545 -8.707 0.896 450 1HB GLN 60 HB2 GLN 60 59.673 -10.920 -0.968 451 2HB GLN 60 HB1 GLN 60 59.561 -10.867 0.792 452 1HG GLN 60 HG2 GLN 60 58.084 -8.712 0.280 453 2HG GLN 60 HG1 GLN 60 57.836 -9.539 -1.258 454 1HE2 GLN 60 HE21 GLN 60 57.188 -11.972 -0.990 455 2HE2 GLN 60 HE22 GLN 60 56.120 -12.334 0.278 456 H VAL 61 HN VAL 61 61.686 -9.518 -2.335 457 HA VAL 61 HA VAL 61 63.779 -11.314 -1.435 458 HB VAL 61 HB VAL 61 63.319 -9.813 -4.024 459 1HG1 VAL 61 HG11 VAL 61 65.754 -10.166 -3.601 460 2HG1 VAL 61 HG12 VAL 61 65.161 -11.109 -4.968 461 3HG1 VAL 61 HG13 VAL 61 65.443 -11.892 -3.413 462 1HG2 VAL 61 HG21 VAL 61 62.089 -11.619 -4.585 463 2HG2 VAL 61 HG22 VAL 61 62.241 -12.175 -2.918 464 3HG2 VAL 61 HG23 VAL 61 63.403 -12.706 -4.134 465 H CYS 62 HN CYS 62 63.489 -7.849 -1.853 466 HA CYS 62 HA CYS 62 66.381 -7.397 -1.669 467 1HB CYS 62 HB2 CYS 62 64.946 -5.844 -2.947 468 2HB CYS 62 HB1 CYS 62 64.061 -5.451 -1.473 469 H MET 63 HN MET 63 63.553 -7.132 0.467 470 HA MET 63 HA MET 63 64.829 -5.925 2.691 471 1HB MET 63 HB2 MET 63 62.474 -7.760 2.370 472 2HB MET 63 HB1 MET 63 63.064 -7.392 3.991 473 1HG MET 63 HG2 MET 63 62.301 -5.255 3.913 474 2HG MET 63 HG1 MET 63 62.824 -5.034 2.243 475 1HE MET 63 HE1 MET 63 59.500 -4.129 3.499 476 2HE MET 63 HE2 MET 63 59.420 -3.933 1.750 477 3HE MET 63 HE3 MET 63 60.916 -3.563 2.604 478 H ARG 64 HN ARG 64 64.524 -9.379 1.840 479 HA ARG 64 HA ARG 64 65.866 -10.403 4.135 480 1HB ARG 64 HB2 ARG 64 66.236 -12.425 2.783 481 2HB ARG 64 HB1 ARG 64 64.596 -11.818 2.544 482 1HG ARG 64 HG2 ARG 64 64.968 -11.339 0.360 483 2HG ARG 64 HG1 ARG 64 66.561 -10.656 0.692 484 1HD ARG 64 HD2 ARG 64 67.242 -13.156 1.116 485 2HD ARG 64 HD1 ARG 64 65.803 -13.515 0.161 486 HE ARG 64 HE ARG 64 67.171 -11.639 -1.360 487 1HH1 ARG 64 HH21 ARG 64 68.896 -13.830 0.461 488 2HH1 ARG 64 HH22 ARG 64 69.617 -14.661 -0.877 489 1HH2 ARG 64 HH11 ARG 64 67.664 -13.070 -3.260 490 2HH2 ARG 64 HH12 ARG 64 68.919 -14.231 -2.984 491 H MET 65 HN MET 65 67.057 -8.559 1.520 492 HA MET 65 HA MET 65 69.822 -9.579 1.827 493 1HB MET 65 HB2 MET 65 68.958 -9.053 -0.444 494 2HB MET 65 HB1 MET 65 68.742 -7.372 0.047 495 1HG MET 65 HG2 MET 65 71.374 -8.006 0.785 496 2HG MET 65 HG1 MET 65 71.162 -8.731 -0.808 497 1HE MET 65 HE1 MET 65 73.232 -6.992 -0.689 498 2HE MET 65 HE2 MET 65 73.051 -5.529 -1.654 499 3HE MET 65 HE3 MET 65 72.666 -7.095 -2.362 500 H LEU 66 HN LEU 66 68.068 -6.472 2.129 501 HA LEU 66 HA LEU 66 70.332 -5.154 3.384 502 1HB LEU 66 HB2 LEU 66 67.399 -4.382 3.291 503 2HB LEU 66 HB1 LEU 66 68.711 -3.330 3.824 504 HG LEU 66 HG LEU 66 68.695 -4.630 1.094 505 1HD1 LEU 66 HD11 LEU 66 67.958 -1.756 1.491 506 2HD1 LEU 66 HD12 LEU 66 66.716 -2.980 1.751 507 3HD1 LEU 66 HD13 LEU 66 67.517 -2.854 0.184 508 1HD2 LEU 66 HD21 LEU 66 70.807 -3.794 1.217 509 2HD2 LEU 66 HD22 LEU 66 70.419 -2.784 2.609 510 3HD2 LEU 66 HD23 LEU 66 70.038 -2.225 0.980 511 H LYS 67 HN LYS 67 67.733 -7.160 4.492 512 HA LYS 67 HA LYS 67 67.391 -6.326 7.151 513 1HB LYS 67 HB2 LYS 67 66.990 -8.784 5.637 514 2HB LYS 67 HB1 LYS 67 67.466 -9.116 7.303 515 1HG LYS 67 HG2 LYS 67 65.466 -6.964 7.000 516 2HG LYS 67 HG1 LYS 67 64.903 -8.567 6.527 517 1HD LYS 67 HD2 LYS 67 65.279 -9.469 8.665 518 2HD LYS 67 HD1 LYS 67 66.386 -8.173 9.118 519 1HE LYS 67 HE2 LYS 67 64.598 -6.593 9.320 520 2HE LYS 67 HE1 LYS 67 63.453 -7.693 8.552 521 1HZ LYS 67 HZ1 LYS 67 62.951 -8.128 10.695 522 2HZ LYS 67 HZ2 LYS 67 64.484 -7.684 11.276 523 3HZ LYS 67 HZ3 LYS 67 64.252 -9.207 10.558 524 H LEU 68 HN LEU 68 68.478 -6.882 9.116 525 HA LEU 68 HA LEU 68 71.374 -7.122 8.831 526 1HB LEU 68 HB2 LEU 68 69.529 -6.949 11.226 527 2HB LEU 68 HB1 LEU 68 71.279 -7.109 11.378 528 HG LEU 68 HG LEU 68 70.116 -4.962 9.623 529 1HD1 LEU 68 HD11 LEU 68 69.033 -4.208 11.497 530 2HD1 LEU 68 HD12 LEU 68 70.640 -3.605 11.903 531 3HD1 LEU 68 HD13 LEU 68 70.069 -5.126 12.590 532 1HD2 LEU 68 HD21 LEU 68 72.259 -4.198 9.586 533 2HD2 LEU 68 HD22 LEU 68 72.680 -5.810 10.165 534 3HD2 LEU 68 HD23 LEU 68 72.483 -4.484 11.311 535 H ASP 69 HN ASP 69 68.769 -9.315 9.174 536 HA ASP 69 HA ASP 69 70.416 -11.413 10.438 537 1HB ASP 69 HB2 ASP 69 67.739 -10.915 10.515 538 2HB ASP 69 HB1 ASP 69 67.805 -12.133 9.241 539 H THR 70 HN THR 70 68.803 -10.837 7.302 540 HA THR 70 HA THR 70 69.356 -11.646 5.167 541 HB THR 70 HB THR 70 71.841 -13.003 5.900 542 HG1 THR 70 HG1 THR 70 71.414 -10.301 6.637 543 1HG2 THR 70 HG21 THR 70 70.803 -11.733 3.715 544 2HG2 THR 70 HG22 THR 70 72.519 -12.075 3.938 545 3HG2 THR 70 HG23 THR 70 71.874 -10.488 4.357 546 H ARG 71 HN ARG 71 70.827 -14.062 7.368 547 HA ARG 71 HA ARG 71 68.760 -15.980 7.233 548 1HB ARG 71 HB2 ARG 71 70.239 -15.730 4.768 549 2HB ARG 71 HB1 ARG 71 70.530 -17.320 5.474 550 1HG ARG 71 HG2 ARG 71 67.834 -17.047 5.867 551 2HG ARG 71 HG1 ARG 71 68.050 -16.194 4.338 552 1HD ARG 71 HD2 ARG 71 69.437 -18.818 4.657 553 2HD ARG 71 HD1 ARG 71 67.689 -18.843 4.424 554 HE ARG 71 HE ARG 71 68.784 -17.106 2.468 555 1HH1 ARG 71 HH11 ARG 71 70.731 -19.541 2.744 556 2HH1 ARG 71 HH12 ARG 71 70.153 -20.525 1.441 557 1HH2 ARG 71 HH21 ARG 71 67.198 -18.751 1.060 558 2HH2 ARG 71 HH22 ARG 71 68.153 -20.078 0.488 559 H ILE 72 HN ILE 72 72.209 -16.492 6.457 560 HA ILE 72 HA ILE 72 72.471 -17.816 9.127 561 HB ILE 72 HB ILE 72 74.207 -18.374 6.716 562 1HG1 ILE 72 HG12 ILE 72 71.829 -18.806 6.136 563 2HG1 ILE 72 HG11 ILE 72 72.755 -20.303 6.249 564 1HG2 ILE 72 HG21 ILE 72 73.949 -20.652 8.260 565 2HG2 ILE 72 HG22 ILE 72 73.937 -19.366 9.468 566 3HG2 ILE 72 HG23 ILE 72 75.293 -19.513 8.349 567 1HD1 ILE 72 HD11 ILE 72 71.657 -21.001 8.134 568 2HD1 ILE 72 HD12 ILE 72 70.388 -19.950 7.504 569 3HD1 ILE 72 HD13 ILE 72 71.477 -19.362 8.760 570 H LYS 73 HN LYS 73 72.907 -14.945 8.394 571 HA LYS 73 HA LYS 73 74.510 -13.267 8.758 572 1HB LYS 73 HB2 LYS 73 74.518 -14.113 11.016 573 2HB LYS 73 HB1 LYS 73 75.533 -15.480 10.558 574 1HG LYS 73 HG2 LYS 73 77.421 -14.073 10.163 575 2HG LYS 73 HG1 LYS 73 76.433 -12.613 10.224 576 1HD LYS 73 HD2 LYS 73 76.357 -12.594 12.514 577 2HD LYS 73 HD1 LYS 73 76.361 -14.354 12.632 578 1HE LYS 73 HE2 LYS 73 78.851 -13.543 11.488 579 2HE LYS 73 HE1 LYS 73 78.569 -12.565 12.928 580 1HZ LYS 73 HZ1 LYS 73 79.278 -15.296 12.746 581 2HZ LYS 73 HZ2 LYS 73 77.803 -15.140 13.574 582 3HZ LYS 73 HZ3 LYS 73 79.180 -14.309 14.121 583 H THR 74 HN THR 74 75.403 -13.222 6.637 584 HA THR 74 HA THR 74 78.005 -14.678 6.384 585 HB THR 74 HB THR 74 77.615 -14.915 4.009 586 HG1 THR 74 HG1 THR 74 75.112 -13.662 4.382 587 1HG2 THR 74 HG21 THR 74 76.191 -16.670 4.218 588 2HG2 THR 74 HG22 THR 74 74.900 -15.664 4.876 589 3HG2 THR 74 HG23 THR 74 76.188 -16.246 5.930 590 H ARG 75 HN ARG 75 79.610 -13.188 6.532 591 HA ARG 75 HA ARG 75 80.846 -11.235 6.115 592 1HB ARG 75 HB2 ARG 75 79.419 -11.729 3.760 593 2HB ARG 75 HB1 ARG 75 79.084 -10.037 4.128 594 1HG ARG 75 HG2 ARG 75 81.172 -9.424 3.549 595 2HG ARG 75 HG1 ARG 75 81.880 -10.658 4.592 596 1HD ARG 75 HD2 ARG 75 82.289 -12.020 2.841 597 2HD ARG 75 HD1 ARG 75 80.642 -11.838 2.236 598 HE ARG 75 HE ARG 75 81.610 -9.531 1.368 599 1HH1 ARG 75 HH21 ARG 75 82.652 -12.755 1.027 600 2HH1 ARG 75 HH22 ARG 75 83.968 -12.379 -0.034 601 1HH2 ARG 75 HH11 ARG 75 83.555 -8.947 0.238 602 2HH2 ARG 75 HH12 ARG 75 84.479 -10.223 -0.482 603 H LYS 76 HN LYS 76 79.865 -8.651 5.409 604 HA LYS 76 HA LYS 76 77.737 -8.080 7.394 605 1HB LYS 76 HB2 LYS 76 80.338 -7.867 8.181 606 2HB LYS 76 HB1 LYS 76 80.059 -6.250 7.534 607 1HG LYS 76 HG2 LYS 76 79.266 -5.897 9.664 608 2HG LYS 76 HG1 LYS 76 77.786 -6.526 8.939 609 1HD LYS 76 HD2 LYS 76 79.171 -8.822 9.666 610 2HD LYS 76 HD1 LYS 76 79.488 -7.711 11.000 611 1HE LYS 76 HE2 LYS 76 77.036 -7.263 11.155 612 2HE LYS 76 HE1 LYS 76 76.766 -8.477 9.906 613 1HZ LYS 76 HZ1 LYS 76 77.115 -8.865 12.657 614 2HZ LYS 76 HZ2 LYS 76 78.426 -9.591 11.856 615 3HZ LYS 76 HZ3 LYS 76 76.834 -10.031 11.458 616 H ASN 77 HN ASN 77 80.052 -6.606 5.096 617 HA ASN 77 HA ASN 77 77.996 -5.475 3.461 618 1HB ASN 77 HB2 ASN 77 78.408 -4.050 5.852 619 2HB ASN 77 HB1 ASN 77 79.248 -3.124 4.607 620 1HD2 ASN 77 HD21 ASN 77 77.960 -2.278 2.804 621 2HD2 ASN 77 HD22 ASN 77 76.267 -2.193 2.901 Start of MODEL 2 1 1H MET 1 HT1 MET 1 53.849 21.185 -14.387 2 2H MET 1 HT2 MET 1 54.117 20.179 -15.729 3 3H MET 1 HT3 MET 1 54.353 21.856 -15.861 4 HA MET 1 HA MET 1 56.351 20.180 -15.498 5 1HB MET 1 HB2 MET 1 55.920 22.950 -15.329 6 2HB MET 1 HB1 MET 1 56.806 22.536 -13.860 7 1HG MET 1 HG2 MET 1 58.394 21.209 -15.369 8 2HG MET 1 HG1 MET 1 57.620 22.026 -16.727 9 1HE MET 1 HE1 MET 1 60.823 23.974 -16.750 10 2HE MET 1 HE2 MET 1 59.366 23.798 -17.727 11 3HE MET 1 HE3 MET 1 60.146 22.368 -17.055 12 H ASP 2 HN ASP 2 57.821 19.776 -13.603 13 HA ASP 2 HA ASP 2 58.109 18.704 -11.531 14 1HB ASP 2 HB2 ASP 2 56.117 20.759 -10.544 15 2HB ASP 2 HB1 ASP 2 57.423 19.998 -9.634 16 H ARG 3 HN ARG 3 56.750 16.921 -12.627 17 HA ARG 3 HA ARG 3 53.969 16.644 -11.877 18 1HB ARG 3 HB2 ARG 3 55.610 15.381 -13.676 19 2HB ARG 3 HB1 ARG 3 55.480 14.164 -12.405 20 1HG ARG 3 HG2 ARG 3 53.463 13.607 -13.235 21 2HG ARG 3 HG1 ARG 3 52.878 15.193 -12.732 22 1HD ARG 3 HD2 ARG 3 54.421 15.372 -15.190 23 2HD ARG 3 HD1 ARG 3 53.069 14.253 -15.362 24 HE ARG 3 HE ARG 3 51.847 16.381 -14.191 25 1HH1 ARG 3 HH11 ARG 3 54.419 17.713 -15.447 26 2HH1 ARG 3 HH12 ARG 3 53.707 18.405 -16.867 27 1HH2 ARG 3 HH21 ARG 3 50.770 16.580 -16.606 28 2HH2 ARG 3 HH22 ARG 3 51.641 17.763 -17.523 29 H PHE 4 HN PHE 4 56.989 15.172 -10.653 30 HA PHE 4 HA PHE 4 55.655 13.762 -8.506 31 1HB PHE 4 HB2 PHE 4 58.410 14.177 -9.439 32 2HB PHE 4 HB1 PHE 4 58.275 14.072 -7.683 33 HD1 PHE 4 HD1 PHE 4 59.227 11.899 -7.338 34 HD2 PHE 4 HD2 PHE 4 56.005 12.441 -10.126 35 HE1 PHE 4 HE1 PHE 4 58.957 9.440 -7.503 36 HE2 PHE 4 HE2 PHE 4 55.734 9.982 -10.291 37 HZ PHE 4 HZ PHE 4 57.210 8.481 -8.980 38 H HIS 5 HN HIS 5 56.389 14.268 -6.145 39 HA HIS 5 HA HIS 5 55.945 17.185 -5.706 40 1HB HIS 5 HB2 HIS 5 54.837 14.836 -4.518 41 2HB HIS 5 HB1 HIS 5 55.767 15.679 -3.278 42 HD1 HIS 5 HD1 HIS 5 52.488 15.634 -4.638 43 HD2 HIS 5 HD2 HIS 5 55.071 18.692 -3.475 44 HE1 HIS 5 HE1 HIS 5 51.051 17.688 -4.279 45 H ALA 6 HN ALA 6 57.534 14.628 -3.776 46 HA ALA 6 HA ALA 6 59.989 16.321 -3.721 47 1HB ALA 6 HB1 ALA 6 58.558 16.650 -1.644 48 2HB ALA 6 HB2 ALA 6 60.202 16.089 -1.338 49 3HB ALA 6 HB3 ALA 6 58.855 14.952 -1.268 50 H THR 7 HN THR 7 61.926 15.052 -3.084 51 HA THR 7 HA THR 7 61.695 12.137 -2.989 52 HB THR 7 HB THR 7 61.479 12.564 -5.417 53 HG1 THR 7 HG1 THR 7 64.024 11.559 -4.672 54 1HG2 THR 7 HG21 THR 7 63.327 14.610 -4.876 55 2HG2 THR 7 HG22 THR 7 62.690 14.150 -6.455 56 3HG2 THR 7 HG23 THR 7 64.199 13.448 -5.874 57 H SER 8 HN SER 8 63.328 11.449 -1.696 58 HA SER 8 HA SER 8 65.565 13.305 -1.141 59 1HB SER 8 HB2 SER 8 64.606 10.756 0.172 60 2HB SER 8 HB1 SER 8 66.110 11.550 0.631 61 HG SER 8 HG SER 8 64.973 12.954 1.692 62 H ALA 9 HN ALA 9 65.686 9.767 -1.177 63 HA ALA 9 HA ALA 9 68.307 9.603 -2.211 64 1HB ALA 9 HB1 ALA 9 67.048 7.306 -3.154 65 2HB ALA 9 HB2 ALA 9 66.083 7.763 -1.751 66 3HB ALA 9 HB3 ALA 9 67.816 7.488 -1.577 67 H ASP 10 HN ASP 10 68.543 8.219 -4.460 68 HA ASP 10 HA ASP 10 66.882 9.514 -6.557 69 1HB ASP 10 HB2 ASP 10 68.792 10.997 -6.369 70 2HB ASP 10 HB1 ASP 10 69.908 9.631 -6.406 71 H CYS 11 HN CYS 11 69.954 7.877 -7.083 72 HA CYS 11 HA CYS 11 68.424 5.629 -8.322 73 1HB CYS 11 HB2 CYS 11 71.321 6.304 -8.854 74 2HB CYS 11 HB1 CYS 11 70.229 5.335 -9.842 75 H CYS 12 HN CYS 12 69.933 3.539 -8.336 76 HA CYS 12 HA CYS 12 70.782 3.149 -5.501 77 1HB CYS 12 HB2 CYS 12 69.679 1.321 -7.617 78 2HB CYS 12 HB1 CYS 12 70.645 0.650 -6.303 79 H ILE 13 HN ILE 13 72.935 3.958 -5.740 80 HA ILE 13 HA ILE 13 74.671 2.632 -7.744 81 HB ILE 13 HB ILE 13 74.829 5.103 -7.375 82 1HG1 ILE 13 HG12 ILE 13 77.337 3.640 -6.501 83 2HG1 ILE 13 HG11 ILE 13 76.763 3.672 -8.169 84 1HG2 ILE 13 HG21 ILE 13 74.503 4.594 -4.768 85 2HG2 ILE 13 HG22 ILE 13 75.365 6.026 -5.330 86 3HG2 ILE 13 HG23 ILE 13 76.266 4.604 -4.806 87 1HD1 ILE 13 HD11 ILE 13 78.372 5.604 -6.894 88 2HD1 ILE 13 HD12 ILE 13 76.782 6.347 -7.069 89 3HD1 ILE 13 HD13 ILE 13 77.626 5.727 -8.488 90 H SER 14 HN SER 14 73.656 2.121 -4.579 91 HA SER 14 HA SER 14 75.837 0.174 -4.164 92 1HB SER 14 HB2 SER 14 76.335 2.525 -3.073 93 2HB SER 14 HB1 SER 14 75.175 1.985 -1.863 94 HG SER 14 HG SER 14 76.468 0.254 -1.411 95 H TYR 15 HN TYR 15 74.961 -1.675 -3.354 96 HA TYR 15 HA TYR 15 72.200 -1.509 -2.235 97 1HB TYR 15 HB2 TYR 15 73.745 -3.776 -3.517 98 2HB TYR 15 HB1 TYR 15 72.190 -4.001 -2.716 99 HD1 TYR 15 HD1 TYR 15 70.286 -3.899 -4.041 100 HD2 TYR 15 HD2 TYR 15 73.770 -1.683 -5.218 101 HE1 TYR 15 HE1 TYR 15 69.112 -3.146 -6.093 102 HE2 TYR 15 HE2 TYR 15 72.599 -0.930 -7.270 103 HH TYR 15 HH TYR 15 70.482 -0.713 -8.202 104 H THR 16 HN THR 16 72.017 -1.757 -0.065 105 HA THR 16 HA THR 16 74.060 -2.100 1.769 106 HB THR 16 HB THR 16 71.801 -1.550 2.486 107 HG1 THR 16 HG1 THR 16 72.809 -2.441 4.159 108 1HG2 THR 16 HG21 THR 16 70.915 -4.386 2.088 109 2HG2 THR 16 HG22 THR 16 70.868 -3.274 0.720 110 3HG2 THR 16 HG23 THR 16 69.946 -2.915 2.180 111 HA PRO 17 HA PRO 17 75.106 -6.337 0.587 112 1HB PRO 17 HB2 PRO 17 77.686 -6.169 1.522 113 2HB PRO 17 HB1 PRO 17 77.186 -5.600 -0.080 114 1HG PRO 17 HG2 PRO 17 77.853 -4.010 2.352 115 2HG PRO 17 HG1 PRO 17 77.958 -3.548 0.645 116 1HD PRO 17 HD2 PRO 17 75.906 -2.795 2.449 117 2HD PRO 17 HD1 PRO 17 75.868 -2.610 0.683 118 H ARG 18 HN ARG 18 73.486 -6.372 2.669 119 HA ARG 18 HA ARG 18 74.880 -8.034 4.655 120 1HB ARG 18 HB2 ARG 18 73.560 -5.404 5.365 121 2HB ARG 18 HB1 ARG 18 73.848 -6.676 6.552 122 1HG ARG 18 HG2 ARG 18 76.259 -6.624 6.029 123 2HG ARG 18 HG1 ARG 18 75.973 -5.350 4.842 124 1HD ARG 18 HD2 ARG 18 74.723 -4.414 7.155 125 2HD ARG 18 HD1 ARG 18 76.214 -5.150 7.741 126 HE ARG 18 HE ARG 18 77.176 -3.670 5.696 127 1HH1 ARG 18 HH11 ARG 18 74.358 -2.312 6.257 128 2HH1 ARG 18 HH12 ARG 18 74.903 -0.912 7.118 129 1HH2 ARG 18 HH21 ARG 18 78.106 -2.142 7.619 130 2HH2 ARG 18 HH22 ARG 18 77.026 -0.816 7.889 131 H SER 19 HN SER 19 73.331 -9.224 6.003 132 HA SER 19 HA SER 19 70.843 -9.762 4.542 133 1HB SER 19 HB2 SER 19 71.981 -11.692 5.392 134 2HB SER 19 HB1 SER 19 72.126 -10.981 6.997 135 HG SER 19 HG SER 19 70.159 -12.469 6.016 136 H ILE 20 HN ILE 20 69.576 -7.875 4.888 137 HA ILE 20 HA ILE 20 69.115 -6.860 7.577 138 HB ILE 20 HB ILE 20 67.579 -6.326 5.017 139 1HG1 ILE 20 HG12 ILE 20 69.127 -4.111 5.584 140 2HG1 ILE 20 HG11 ILE 20 70.200 -5.442 6.020 141 1HG2 ILE 20 HG21 ILE 20 66.899 -5.692 7.619 142 2HG2 ILE 20 HG22 ILE 20 66.350 -4.823 6.186 143 3HG2 ILE 20 HG23 ILE 20 67.754 -4.246 7.082 144 1HD1 ILE 20 HD11 ILE 20 69.563 -4.495 3.409 145 2HD1 ILE 20 HD12 ILE 20 68.877 -6.112 3.568 146 3HD1 ILE 20 HD13 ILE 20 70.600 -5.854 3.846 147 HA PRO 21 HA PRO 21 65.939 -9.859 8.432 148 1HB PRO 21 HB2 PRO 21 65.293 -8.870 10.913 149 2HB PRO 21 HB1 PRO 21 66.719 -9.875 10.602 150 1HG PRO 21 HG2 PRO 21 66.567 -6.941 11.107 151 2HG PRO 21 HG1 PRO 21 67.904 -8.062 11.406 152 1HD PRO 21 HD2 PRO 21 67.699 -6.264 9.227 153 2HD PRO 21 HD1 PRO 21 68.856 -7.604 9.372 154 H CYS 22 HN CYS 22 63.650 -9.857 8.337 155 HA CYS 22 HA CYS 22 62.386 -7.472 7.310 156 1HB CYS 22 HB2 CYS 22 61.754 -10.248 7.529 157 2HB CYS 22 HB1 CYS 22 60.429 -9.335 8.251 158 H SER 23 HN SER 23 63.026 -8.594 10.475 159 HA SER 23 HA SER 23 60.738 -7.326 11.765 160 1HB SER 23 HB2 SER 23 63.004 -7.655 13.524 161 2HB SER 23 HB1 SER 23 61.463 -8.508 13.537 162 HG SER 23 HG SER 23 63.389 -9.820 13.145 163 H LEU 24 HN LEU 24 63.794 -6.267 10.565 164 HA LEU 24 HA LEU 24 63.577 -3.743 12.147 165 1HB LEU 24 HB2 LEU 24 65.756 -5.207 12.012 166 2HB LEU 24 HB1 LEU 24 65.945 -4.442 10.434 167 HG LEU 24 HG LEU 24 65.814 -2.221 11.473 168 1HD1 LEU 24 HD11 LEU 24 65.295 -3.877 13.936 169 2HD1 LEU 24 HD12 LEU 24 64.402 -2.479 13.337 170 3HD1 LEU 24 HD13 LEU 24 65.991 -2.263 14.072 171 1HD2 LEU 24 HD21 LEU 24 67.846 -4.239 12.188 172 2HD2 LEU 24 HD22 LEU 24 67.840 -2.815 13.229 173 3HD2 LEU 24 HD23 LEU 24 68.054 -2.633 11.488 174 H LEU 25 HN LEU 25 61.952 -4.467 9.751 175 HA LEU 25 HA LEU 25 62.807 -2.185 8.017 176 1HB LEU 25 HB2 LEU 25 61.629 -4.852 7.188 177 2HB LEU 25 HB1 LEU 25 61.767 -3.466 6.107 178 HG LEU 25 HG LEU 25 64.105 -4.707 7.583 179 1HD1 LEU 25 HD11 LEU 25 63.029 -5.113 4.787 180 2HD1 LEU 25 HD12 LEU 25 63.403 -6.340 5.997 181 3HD1 LEU 25 HD13 LEU 25 64.708 -5.457 5.204 182 1HD2 LEU 25 HD21 LEU 25 65.281 -3.370 5.666 183 2HD2 LEU 25 HD22 LEU 25 64.696 -2.490 7.078 184 3HD2 LEU 25 HD23 LEU 25 63.760 -2.481 5.584 185 H GLU 26 HN GLU 26 61.192 -0.719 7.555 186 HA GLU 26 HA GLU 26 58.564 -1.202 8.850 187 1HB GLU 26 HB2 GLU 26 60.242 1.075 8.531 188 2HB GLU 26 HB1 GLU 26 58.757 1.391 7.632 189 1HG GLU 26 HG2 GLU 26 57.428 0.774 9.628 190 2HG GLU 26 HG1 GLU 26 58.921 0.502 10.527 191 H SER 27 HN SER 27 60.002 -0.542 5.686 192 HA SER 27 HA SER 27 57.867 -1.828 4.278 193 1HB SER 27 HB2 SER 27 57.610 0.853 3.296 194 2HB SER 27 HB1 SER 27 56.363 -0.182 3.986 195 HG SER 27 HG SER 27 58.190 1.483 5.389 196 H TYR 28 HN TYR 28 58.016 -0.850 1.795 197 HA TYR 28 HA TYR 28 60.754 -0.050 1.112 198 1HB TYR 28 HB2 TYR 28 61.308 -2.028 -0.165 199 2HB TYR 28 HB1 TYR 28 60.879 -2.544 1.466 200 HD1 TYR 28 HD1 TYR 28 59.470 -2.073 -1.963 201 HD2 TYR 28 HD2 TYR 28 59.118 -4.074 1.822 202 HE1 TYR 28 HE1 TYR 28 57.671 -3.508 -2.889 203 HE2 TYR 28 HE2 TYR 28 57.319 -5.509 0.896 204 HH TYR 28 HH TYR 28 56.710 -6.299 -1.617 205 H PHE 29 HN PHE 29 60.941 0.444 -1.196 206 HA PHE 29 HA PHE 29 58.442 0.360 -2.774 207 1HB PHE 29 HB2 PHE 29 58.800 2.861 -3.299 208 2HB PHE 29 HB1 PHE 29 58.091 2.464 -1.734 209 HD1 PHE 29 HD1 PHE 29 60.717 4.204 -3.393 210 HD2 PHE 29 HD2 PHE 29 59.769 2.132 0.248 211 HE1 PHE 29 HE1 PHE 29 62.593 5.355 -2.250 212 HE2 PHE 29 HE2 PHE 29 61.646 3.282 1.391 213 HZ PHE 29 HZ PHE 29 63.058 4.894 0.142 214 H GLU 30 HN GLU 30 59.036 1.632 -4.987 215 HA GLU 30 HA GLU 30 61.620 0.429 -5.855 216 1HB GLU 30 HB2 GLU 30 59.057 1.130 -7.259 217 2HB GLU 30 HB1 GLU 30 60.553 1.013 -8.185 218 1HG GLU 30 HG2 GLU 30 60.710 -1.254 -7.904 219 2HG GLU 30 HG1 GLU 30 60.026 -1.202 -6.278 220 H THR 31 HN THR 31 63.134 1.701 -7.028 221 HA THR 31 HA THR 31 63.277 4.473 -6.251 222 HB THR 31 HB THR 31 65.214 4.513 -7.898 223 HG1 THR 31 HG1 THR 31 64.411 2.896 -9.277 224 1HG2 THR 31 HG21 THR 31 65.994 4.048 -5.785 225 2HG2 THR 31 HG22 THR 31 66.370 2.507 -6.555 226 3HG2 THR 31 HG23 THR 31 64.912 2.670 -5.576 227 H ASN 32 HN ASN 32 63.734 6.158 -8.124 228 HA ASN 32 HA ASN 32 61.275 6.288 -9.696 229 1HB ASN 32 HB2 ASN 32 62.350 8.445 -10.542 230 2HB ASN 32 HB1 ASN 32 62.064 8.365 -8.803 231 1HD2 ASN 32 HD21 ASN 32 63.864 8.706 -7.473 232 2HD2 ASN 32 HD22 ASN 32 65.475 8.691 -8.009 233 H SER 33 HN SER 33 61.060 5.730 -11.825 234 HA SER 33 HA SER 33 62.971 4.152 -13.173 235 1HB SER 33 HB2 SER 33 61.345 3.982 -14.742 236 2HB SER 33 HB1 SER 33 60.373 4.989 -13.673 237 HG SER 33 HG SER 33 60.699 6.660 -14.944 238 H GLU 34 HN GLU 34 62.833 7.580 -12.772 239 HA GLU 34 HA GLU 34 64.122 8.585 -15.034 240 1HB GLU 34 HB2 GLU 34 64.529 9.315 -12.121 241 2HB GLU 34 HB1 GLU 34 65.175 10.260 -13.464 242 1HG GLU 34 HG2 GLU 34 62.952 10.689 -14.317 243 2HG GLU 34 HG1 GLU 34 62.239 9.584 -13.142 244 H CYS 35 HN CYS 35 65.498 6.719 -12.378 245 HA CYS 35 HA CYS 35 68.240 7.061 -13.372 246 1HB CYS 35 HB2 CYS 35 67.103 5.224 -11.240 247 2HB CYS 35 HB1 CYS 35 68.820 5.453 -11.570 248 H SER 36 HN SER 36 68.832 5.973 -15.187 249 HA SER 36 HA SER 36 67.506 3.948 -16.524 250 1HB SER 36 HB2 SER 36 69.601 5.106 -17.305 251 2HB SER 36 HB1 SER 36 70.522 4.062 -16.227 252 HG SER 36 HG SER 36 69.791 3.530 -18.662 253 H LYS 37 HN LYS 37 69.514 3.643 -13.652 254 HA LYS 37 HA LYS 37 68.889 0.716 -13.621 255 1HB LYS 37 HB2 LYS 37 71.279 2.273 -12.644 256 2HB LYS 37 HB1 LYS 37 70.893 0.693 -11.961 257 1HG LYS 37 HG2 LYS 37 70.939 -0.300 -14.219 258 2HG LYS 37 HG1 LYS 37 71.328 1.278 -14.905 259 1HD LYS 37 HD2 LYS 37 73.504 0.806 -14.569 260 2HD LYS 37 HD1 LYS 37 73.192 0.890 -12.835 261 1HE LYS 37 HE2 LYS 37 72.546 -1.631 -14.335 262 2HE LYS 37 HE1 LYS 37 74.211 -1.306 -13.853 263 1HZ LYS 37 HZ1 LYS 37 71.842 -1.432 -12.069 264 2HZ LYS 37 HZ2 LYS 37 73.399 -0.971 -11.569 265 3HZ LYS 37 HZ3 LYS 37 73.118 -2.547 -12.139 266 HA PRO 38 HA PRO 38 66.560 2.464 -10.125 267 1HB PRO 38 HB2 PRO 38 64.473 0.693 -10.393 268 2HB PRO 38 HB1 PRO 38 64.586 2.217 -11.291 269 1HG PRO 38 HG2 PRO 38 65.040 -0.568 -12.257 270 2HG PRO 38 HG1 PRO 38 64.523 0.864 -13.163 271 1HD PRO 38 HD2 PRO 38 67.133 -0.228 -13.142 272 2HD PRO 38 HD1 PRO 38 66.678 1.375 -13.758 273 H GLY 39 HN GLY 39 65.286 0.854 -8.383 274 1HA GLY 39 HA2 GLY 39 66.380 -1.716 -7.925 275 2HA GLY 39 HA1 GLY 39 67.305 -0.532 -7.008 276 H VAL 40 HN VAL 40 66.190 -2.115 -5.313 277 HA VAL 40 HA VAL 40 63.474 -1.087 -4.641 278 HB VAL 40 HB VAL 40 64.987 -3.441 -3.470 279 1HG1 VAL 40 HG11 VAL 40 62.024 -2.882 -3.334 280 2HG1 VAL 40 HG12 VAL 40 63.135 -2.242 -2.123 281 3HG1 VAL 40 HG13 VAL 40 62.978 -3.985 -2.343 282 1HG2 VAL 40 HG21 VAL 40 63.121 -4.673 -4.815 283 2HG2 VAL 40 HG22 VAL 40 64.532 -4.080 -5.691 284 3HG2 VAL 40 HG23 VAL 40 63.019 -3.174 -5.738 285 H ILE 41 HN ILE 41 63.260 0.323 -2.964 286 HA ILE 41 HA ILE 41 65.655 0.792 -1.249 287 HB ILE 41 HB ILE 41 63.210 2.548 -1.623 288 1HG1 ILE 41 HG12 ILE 41 65.928 2.549 -2.964 289 2HG1 ILE 41 HG11 ILE 41 64.349 2.433 -3.740 290 1HG2 ILE 41 HG21 ILE 41 65.939 3.052 -0.396 291 2HG2 ILE 41 HG22 ILE 41 64.418 2.916 0.486 292 3HG2 ILE 41 HG23 ILE 41 64.682 4.270 -0.612 293 1HD1 ILE 41 HD11 ILE 41 65.824 4.792 -3.114 294 2HD1 ILE 41 HD12 ILE 41 64.373 4.786 -2.112 295 3HD1 ILE 41 HD13 ILE 41 64.234 4.674 -3.867 296 H PHE 42 HN PHE 42 65.517 -0.380 0.610 297 HA PHE 42 HA PHE 42 62.854 -0.904 1.801 298 1HB PHE 42 HB2 PHE 42 65.614 -2.026 2.170 299 2HB PHE 42 HB1 PHE 42 64.433 -2.205 3.469 300 HD1 PHE 42 HD1 PHE 42 62.330 -3.453 3.101 301 HD2 PHE 42 HD2 PHE 42 65.355 -3.186 0.063 302 HE1 PHE 42 HE1 PHE 42 61.264 -5.327 1.874 303 HE2 PHE 42 HE2 PHE 42 64.290 -5.060 -1.163 304 HZ PHE 42 HZ PHE 42 62.244 -6.130 -0.258 305 H LEU 43 HN LEU 43 62.125 0.225 3.543 306 HA LEU 43 HA LEU 43 63.991 2.182 4.792 307 1HB LEU 43 HB2 LEU 43 61.728 2.875 3.785 308 2HB LEU 43 HB1 LEU 43 60.994 2.062 5.168 309 HG LEU 43 HG LEU 43 63.206 3.876 5.873 310 1HD1 LEU 43 HD11 LEU 43 62.362 5.861 5.127 311 2HD1 LEU 43 HD12 LEU 43 60.690 5.331 5.309 312 3HD1 LEU 43 HD13 LEU 43 61.616 4.854 3.886 313 1HD2 LEU 43 HD21 LEU 43 61.681 2.742 7.489 314 2HD2 LEU 43 HD22 LEU 43 60.327 3.643 6.807 315 3HD2 LEU 43 HD23 LEU 43 61.625 4.498 7.640 316 H THR 44 HN THR 44 64.505 2.034 6.959 317 HA THR 44 HA THR 44 63.448 -0.352 8.397 318 HB THR 44 HB THR 44 65.417 -0.129 9.836 319 HG1 THR 44 HG1 THR 44 65.977 1.903 10.010 320 1HG2 THR 44 HG21 THR 44 65.686 -0.202 6.870 321 2HG2 THR 44 HG22 THR 44 66.092 -1.432 8.067 322 3HG2 THR 44 HG23 THR 44 67.172 -0.062 7.810 323 H LYS 45 HN LYS 45 63.006 -0.062 10.753 324 HA LYS 45 HA LYS 45 61.283 2.207 11.209 325 1HB LYS 45 HB2 LYS 45 60.968 -0.030 12.282 326 2HB LYS 45 HB1 LYS 45 62.415 0.265 13.247 327 1HG LYS 45 HG2 LYS 45 60.549 2.509 13.353 328 2HG LYS 45 HG1 LYS 45 59.820 1.010 13.930 329 1HD LYS 45 HD2 LYS 45 62.154 0.780 15.195 330 2HD LYS 45 HD1 LYS 45 62.140 2.537 15.035 331 1HE LYS 45 HE2 LYS 45 60.231 0.759 16.526 332 2HE LYS 45 HE1 LYS 45 61.018 2.244 17.062 333 1HZ LYS 45 HZ1 LYS 45 59.601 3.148 15.003 334 2HZ LYS 45 HZ2 LYS 45 59.019 3.123 16.599 335 3HZ LYS 45 HZ3 LYS 45 58.589 1.888 15.515 336 H LYS 46 HN LYS 46 64.628 1.918 11.311 337 HA LYS 46 HA LYS 46 64.930 3.978 13.435 338 1HB LYS 46 HB2 LYS 46 66.644 1.875 12.291 339 2HB LYS 46 HB1 LYS 46 67.468 3.419 12.518 340 1HG LYS 46 HG2 LYS 46 67.683 2.885 14.697 341 2HG LYS 46 HG1 LYS 46 65.935 3.070 14.843 342 1HD LYS 46 HD2 LYS 46 65.580 0.826 14.921 343 2HD LYS 46 HD1 LYS 46 66.792 0.498 13.682 344 1HE LYS 46 HE2 LYS 46 68.092 1.488 16.055 345 2HE LYS 46 HE1 LYS 46 67.051 0.128 16.478 346 1HZ LYS 46 HZ1 LYS 46 68.250 -1.304 15.228 347 2HZ LYS 46 HZ2 LYS 46 69.495 -0.196 15.561 348 3HZ LYS 46 HZ3 LYS 46 68.678 -0.138 14.072 349 H GLY 47 HN GLY 47 63.809 4.443 10.686 350 1HA GLY 47 HA2 GLY 47 63.950 6.089 9.036 351 2HA GLY 47 HA1 GLY 47 65.003 6.948 10.156 352 H ARG 48 HN ARG 48 65.741 3.732 8.960 353 HA ARG 48 HA ARG 48 68.040 4.921 7.461 354 1HB ARG 48 HB2 ARG 48 68.281 3.251 9.537 355 2HB ARG 48 HB1 ARG 48 68.041 2.046 8.271 356 1HG ARG 48 HG2 ARG 48 69.857 3.263 6.952 357 2HG ARG 48 HG1 ARG 48 70.205 4.153 8.435 358 1HD ARG 48 HD2 ARG 48 71.697 2.269 8.389 359 2HD ARG 48 HD1 ARG 48 70.462 1.914 9.597 360 HE ARG 48 HE ARG 48 69.469 0.806 7.247 361 1HH1 ARG 48 HH21 ARG 48 72.574 0.584 6.916 362 2HH1 ARG 48 HH22 ARG 48 72.806 -1.051 7.439 363 1HH2 ARG 48 HH11 ARG 48 69.660 -1.318 8.874 364 2HH2 ARG 48 HH12 ARG 48 71.156 -2.127 8.547 365 H ARG 49 HN ARG 49 67.941 4.669 5.284 366 HA ARG 49 HA ARG 49 66.306 2.400 4.219 367 1HB ARG 49 HB2 ARG 49 66.656 5.039 2.792 368 2HB ARG 49 HB1 ARG 49 65.450 3.786 2.496 369 1HG ARG 49 HG2 ARG 49 64.046 4.790 3.935 370 2HG ARG 49 HG1 ARG 49 65.229 4.595 5.229 371 1HD ARG 49 HD2 ARG 49 65.825 6.767 3.314 372 2HD ARG 49 HD1 ARG 49 64.384 7.017 4.299 373 HE ARG 49 HE ARG 49 66.373 6.185 6.087 374 1HH1 ARG 49 HH11 ARG 49 67.778 7.898 3.823 375 2HH1 ARG 49 HH12 ARG 49 67.898 9.409 4.660 376 1HH2 ARG 49 HH21 ARG 49 65.698 8.491 7.179 377 2HH2 ARG 49 HH22 ARG 49 66.721 9.745 6.561 378 H PHE 50 HN PHE 50 67.243 1.231 2.542 379 HA PHE 50 HA PHE 50 69.764 2.248 1.350 380 1HB PHE 50 HB2 PHE 50 70.604 -0.239 1.730 381 2HB PHE 50 HB1 PHE 50 70.812 0.979 2.988 382 HD1 PHE 50 HD1 PHE 50 68.233 -1.470 1.779 383 HD2 PHE 50 HD2 PHE 50 70.078 0.469 5.139 384 HE1 PHE 50 HE1 PHE 50 66.848 -2.829 3.324 385 HE2 PHE 50 HE2 PHE 50 68.693 -0.890 6.684 386 HZ PHE 50 HZ PHE 50 67.078 -2.539 5.776 387 H CYS 51 HN CYS 51 70.371 0.987 -0.599 388 HA CYS 51 HA CYS 51 68.000 0.219 -2.114 389 1HB CYS 51 HB2 CYS 51 70.939 0.465 -2.708 390 2HB CYS 51 HB1 CYS 51 69.876 -0.355 -3.847 391 H ALA 52 HN ALA 52 67.576 -1.886 -2.958 392 HA ALA 52 HA ALA 52 69.254 -4.102 -1.889 393 1HB ALA 52 HB1 ALA 52 67.388 -5.282 -0.999 394 2HB ALA 52 HB2 ALA 52 66.235 -4.199 -1.778 395 3HB ALA 52 HB3 ALA 52 67.202 -3.627 -0.419 396 H ASN 53 HN ASN 53 69.267 -5.947 -3.232 397 HA ASN 53 HA ASN 53 68.469 -5.459 -5.999 398 1HB ASN 53 HB2 ASN 53 70.579 -6.683 -5.260 399 2HB ASN 53 HB1 ASN 53 69.537 -8.039 -4.830 400 1HD2 ASN 53 HD21 ASN 53 70.999 -6.317 -7.506 401 2HD2 ASN 53 HD22 ASN 53 70.403 -7.326 -8.734 402 HA PRO 54 HA PRO 54 64.536 -7.432 -5.612 403 1HB PRO 54 HB2 PRO 54 64.029 -7.687 -8.305 404 2HB PRO 54 HB1 PRO 54 63.862 -6.164 -7.415 405 1HG PRO 54 HG2 PRO 54 66.010 -7.008 -9.308 406 2HG PRO 54 HG1 PRO 54 65.434 -5.378 -8.918 407 1HD PRO 54 HD2 PRO 54 67.794 -6.565 -7.924 408 2HD PRO 54 HD1 PRO 54 67.008 -5.112 -7.269 409 H SER 55 HN SER 55 67.322 -8.832 -7.033 410 HA SER 55 HA SER 55 65.981 -11.440 -7.489 411 1HB SER 55 HB2 SER 55 68.839 -10.556 -7.990 412 2HB SER 55 HB1 SER 55 68.181 -12.136 -8.404 413 HG SER 55 HG SER 55 67.764 -11.100 -10.213 414 H ASP 56 HN ASP 56 67.261 -9.810 -4.916 415 HA ASP 56 HA ASP 56 68.894 -11.882 -3.716 416 1HB ASP 56 HB2 ASP 56 69.044 -9.483 -3.066 417 2HB ASP 56 HB1 ASP 56 67.420 -9.587 -2.386 418 H LYS 57 HN LYS 57 68.154 -13.737 -2.809 419 HA LYS 57 HA LYS 57 65.445 -14.507 -2.726 420 1HB LYS 57 HB2 LYS 57 66.195 -16.278 -1.129 421 2HB LYS 57 HB1 LYS 57 67.246 -16.145 -2.540 422 1HG LYS 57 HG2 LYS 57 68.705 -14.584 -1.151 423 2HG LYS 57 HG1 LYS 57 67.751 -15.082 0.247 424 1HD LYS 57 HD2 LYS 57 68.365 -17.419 -0.122 425 2HD LYS 57 HD1 LYS 57 69.248 -16.979 -1.584 426 1HE LYS 57 HE2 LYS 57 70.762 -17.257 0.369 427 2HE LYS 57 HE1 LYS 57 70.801 -15.614 -0.271 428 1HZ LYS 57 HZ1 LYS 57 70.339 -16.284 2.312 429 2HZ LYS 57 HZ2 LYS 57 68.770 -16.015 1.719 430 3HZ LYS 57 HZ3 LYS 57 69.947 -14.795 1.600 431 H GLN 58 HN GLN 58 67.458 -13.181 -0.086 432 HA GLN 58 HA GLN 58 65.470 -13.234 1.935 433 1HB GLN 58 HB2 GLN 58 67.875 -11.488 1.442 434 2HB GLN 58 HB1 GLN 58 66.797 -11.161 2.800 435 1HG GLN 58 HG2 GLN 58 67.449 -13.994 2.607 436 2HG GLN 58 HG1 GLN 58 68.898 -13.002 2.772 437 1HE2 GLN 58 HE21 GLN 58 68.017 -10.918 4.411 438 2HE2 GLN 58 HE22 GLN 58 67.513 -11.534 5.910 439 H VAL 59 HN VAL 59 65.951 -11.042 -0.762 440 HA VAL 59 HA VAL 59 64.104 -9.022 0.241 441 HB VAL 59 HB VAL 59 65.320 -9.539 -2.484 442 1HG1 VAL 59 HG11 VAL 59 63.020 -7.926 -1.744 443 2HG1 VAL 59 HG12 VAL 59 63.686 -8.247 -3.346 444 3HG1 VAL 59 HG13 VAL 59 64.322 -6.918 -2.377 445 1HG2 VAL 59 HG21 VAL 59 66.784 -8.699 -0.619 446 2HG2 VAL 59 HG22 VAL 59 65.728 -7.293 -0.484 447 3HG2 VAL 59 HG23 VAL 59 66.646 -7.568 -1.965 448 H GLN 60 HN GLN 60 63.918 -11.731 -2.054 449 HA GLN 60 HA GLN 60 61.196 -11.221 -2.848 450 1HB GLN 60 HB2 GLN 60 62.632 -13.891 -2.813 451 2HB GLN 60 HB1 GLN 60 61.258 -13.436 -3.821 452 1HG GLN 60 HG2 GLN 60 62.632 -11.719 -4.934 453 2HG GLN 60 HG1 GLN 60 64.008 -12.160 -3.922 454 1HE2 GLN 60 HE21 GLN 60 64.567 -12.448 -6.543 455 2HE2 GLN 60 HE22 GLN 60 64.483 -14.068 -7.043 456 H VAL 61 HN VAL 61 62.672 -12.925 -0.152 457 HA VAL 61 HA VAL 61 60.227 -14.263 0.675 458 HB VAL 61 HB VAL 61 62.771 -13.643 2.209 459 1HG1 VAL 61 HG11 VAL 61 60.359 -15.357 2.841 460 2HG1 VAL 61 HG12 VAL 61 61.042 -14.052 3.811 461 3HG1 VAL 61 HG13 VAL 61 61.914 -15.575 3.643 462 1HG2 VAL 61 HG21 VAL 61 62.645 -15.220 0.067 463 2HG2 VAL 61 HG22 VAL 61 61.978 -16.361 1.235 464 3HG2 VAL 61 HG23 VAL 61 63.589 -15.688 1.482 465 H CYS 62 HN CYS 62 61.810 -11.194 1.424 466 HA CYS 62 HA CYS 62 59.905 -10.556 3.557 467 1HB CYS 62 HB2 CYS 62 62.268 -9.253 2.304 468 2HB CYS 62 HB1 CYS 62 61.061 -8.179 3.010 469 H MET 63 HN MET 63 60.227 -9.976 0.114 470 HA MET 63 HA MET 63 58.440 -7.790 -0.171 471 1HB MET 63 HB2 MET 63 59.193 -10.086 -1.977 472 2HB MET 63 HB1 MET 63 57.996 -8.891 -2.478 473 1HG MET 63 HG2 MET 63 60.347 -7.616 -1.335 474 2HG MET 63 HG1 MET 63 60.774 -8.646 -2.701 475 1HE MET 63 HE1 MET 63 61.627 -6.810 -4.052 476 2HE MET 63 HE2 MET 63 61.281 -5.549 -2.872 477 3HE MET 63 HE3 MET 63 60.772 -5.343 -4.546 478 H ARG 64 HN ARG 64 57.838 -11.053 0.746 479 HA ARG 64 HA ARG 64 55.014 -11.012 -0.066 480 1HB ARG 64 HB2 ARG 64 56.861 -13.020 0.564 481 2HB ARG 64 HB1 ARG 64 55.715 -13.036 1.905 482 1HG ARG 64 HG2 ARG 64 54.161 -14.025 0.615 483 2HG ARG 64 HG1 ARG 64 54.275 -12.721 -0.568 484 1HD ARG 64 HD2 ARG 64 56.066 -13.810 -1.730 485 2HD ARG 64 HD1 ARG 64 56.276 -14.987 -0.434 486 HE ARG 64 HE ARG 64 53.629 -15.006 -1.717 487 1HH1 ARG 64 HH21 ARG 64 55.469 -17.161 -0.294 488 2HH1 ARG 64 HH22 ARG 64 55.686 -18.250 -1.623 489 1HH2 ARG 64 HH11 ARG 64 54.493 -16.018 -3.992 490 2HH2 ARG 64 HH12 ARG 64 55.134 -17.603 -3.716 491 H MET 65 HN MET 65 56.796 -11.056 3.041 492 HA MET 65 HA MET 65 54.516 -10.707 4.707 493 1HB MET 65 HB2 MET 65 56.670 -11.347 5.647 494 2HB MET 65 HB1 MET 65 57.389 -9.826 5.119 495 1HG MET 65 HG2 MET 65 55.548 -8.688 6.533 496 2HG MET 65 HG1 MET 65 55.322 -10.273 7.271 497 1HE MET 65 HE1 MET 65 55.561 -8.466 9.007 498 2HE MET 65 HE2 MET 65 56.818 -7.248 8.814 499 3HE MET 65 HE3 MET 65 57.003 -8.508 10.031 500 H LEU 66 HN LEU 66 56.862 -8.213 3.628 501 HA LEU 66 HA LEU 66 55.146 -6.046 4.513 502 1HB LEU 66 HB2 LEU 66 57.655 -6.212 2.847 503 2HB LEU 66 HB1 LEU 66 56.783 -4.688 3.021 504 HG LEU 66 HG LEU 66 58.640 -5.073 4.716 505 1HD1 LEU 66 HD11 LEU 66 55.774 -4.656 5.600 506 2HD1 LEU 66 HD12 LEU 66 56.967 -3.419 5.202 507 3HD1 LEU 66 HD13 LEU 66 57.155 -4.388 6.663 508 1HD2 LEU 66 HD21 LEU 66 58.113 -7.516 5.004 509 2HD2 LEU 66 HD22 LEU 66 56.637 -7.049 5.849 510 3HD2 LEU 66 HD23 LEU 66 58.210 -6.633 6.528 511 H LYS 67 HN LYS 67 53.163 -6.789 3.367 512 HA LYS 67 HA LYS 67 53.094 -6.746 0.462 513 1HB LYS 67 HB2 LYS 67 50.737 -6.458 2.340 514 2HB LYS 67 HB1 LYS 67 50.731 -7.083 0.690 515 1HG LYS 67 HG2 LYS 67 52.618 -8.537 2.358 516 2HG LYS 67 HG1 LYS 67 50.990 -8.591 3.036 517 1HD LYS 67 HD2 LYS 67 50.628 -8.961 0.281 518 2HD LYS 67 HD1 LYS 67 52.039 -9.939 0.687 519 1HE LYS 67 HE2 LYS 67 49.301 -10.060 1.977 520 2HE LYS 67 HE1 LYS 67 50.084 -11.317 1.019 521 1HZ LYS 67 HZ1 LYS 67 50.374 -10.716 3.787 522 2HZ LYS 67 HZ2 LYS 67 51.879 -10.708 2.998 523 3HZ LYS 67 HZ3 LYS 67 50.885 -12.084 2.925 524 H LEU 68 HN LEU 68 50.589 -5.177 0.307 525 HA LEU 68 HA LEU 68 51.777 -2.589 -0.209 526 1HB LEU 68 HB2 LEU 68 49.052 -3.794 -0.423 527 2HB LEU 68 HB1 LEU 68 49.165 -2.035 -0.372 528 HG LEU 68 HG LEU 68 49.243 -2.966 -2.700 529 1HD1 LEU 68 HD11 LEU 68 51.860 -1.896 -2.789 530 2HD1 LEU 68 HD12 LEU 68 51.047 -1.096 -1.443 531 3HD1 LEU 68 HD13 LEU 68 50.344 -1.036 -3.060 532 1HD2 LEU 68 HD21 LEU 68 52.046 -3.868 -2.217 533 2HD2 LEU 68 HD22 LEU 68 50.859 -4.464 -3.377 534 3HD2 LEU 68 HD23 LEU 68 50.754 -4.943 -1.683 535 H ASP 69 HN ASP 69 52.570 -2.519 2.175 536 HA ASP 69 HA ASP 69 50.461 -1.598 4.045 537 1HB ASP 69 HB2 ASP 69 52.487 -3.194 4.593 538 2HB ASP 69 HB1 ASP 69 53.382 -1.680 4.733 539 H THR 70 HN THR 70 50.512 0.230 2.130 540 HA THR 70 HA THR 70 52.308 2.405 3.130 541 HB THR 70 HB THR 70 50.952 2.325 0.426 542 HG1 THR 70 HG1 THR 70 53.118 1.684 -0.258 543 1HG2 THR 70 HG21 THR 70 53.405 3.705 0.393 544 2HG2 THR 70 HG22 THR 70 52.602 4.200 1.883 545 3HG2 THR 70 HG23 THR 70 51.790 4.409 0.332 546 H ARG 71 HN ARG 71 50.414 2.455 4.791 547 HA ARG 71 HA ARG 71 48.048 3.894 3.709 548 1HB ARG 71 HB2 ARG 71 48.613 2.728 6.452 549 2HB ARG 71 HB1 ARG 71 47.118 3.549 6.001 550 1HG ARG 71 HG2 ARG 71 46.350 1.764 4.825 551 2HG ARG 71 HG1 ARG 71 47.935 1.429 4.127 552 1HD ARG 71 HD2 ARG 71 48.576 0.064 5.881 553 2HD ARG 71 HD1 ARG 71 47.543 0.897 7.043 554 HE ARG 71 HE ARG 71 46.449 -0.954 4.960 555 1HH1 ARG 71 HH21 ARG 71 47.231 -1.079 8.140 556 2HH1 ARG 71 HH22 ARG 71 45.633 -1.360 8.744 557 1HH2 ARG 71 HH11 ARG 71 44.083 -0.673 5.719 558 2HH2 ARG 71 HH12 ARG 71 43.850 -1.130 7.374 559 H ILE 72 HN ILE 72 47.328 5.474 5.831 560 HA ILE 72 HA ILE 72 49.693 7.204 6.380 561 HB ILE 72 HB ILE 72 48.148 9.189 5.908 562 1HG1 ILE 72 HG12 ILE 72 46.588 6.982 4.523 563 2HG1 ILE 72 HG11 ILE 72 46.033 7.928 5.904 564 1HG2 ILE 72 HG21 ILE 72 48.908 9.299 3.710 565 2HG2 ILE 72 HG22 ILE 72 48.569 7.596 3.400 566 3HG2 ILE 72 HG23 ILE 72 49.971 8.055 4.366 567 1HD1 ILE 72 HD11 ILE 72 46.217 8.689 3.045 568 2HD1 ILE 72 HD12 ILE 72 46.712 9.928 4.198 569 3HD1 ILE 72 HD13 ILE 72 45.091 9.238 4.287 570 H LYS 73 HN LYS 73 49.648 6.625 8.588 571 HA LYS 73 HA LYS 73 47.149 6.807 10.109 572 1HB LYS 73 HB2 LYS 73 50.009 6.471 11.065 573 2HB LYS 73 HB1 LYS 73 48.559 6.243 12.042 574 1HG LYS 73 HG2 LYS 73 47.831 4.413 10.582 575 2HG LYS 73 HG1 LYS 73 49.240 4.659 9.549 576 1HD LYS 73 HD2 LYS 73 49.572 2.789 11.157 577 2HD LYS 73 HD1 LYS 73 50.736 4.092 11.401 578 1HE LYS 73 HE2 LYS 73 48.287 4.513 12.932 579 2HE LYS 73 HE1 LYS 73 49.081 2.996 13.355 580 1HZ LYS 73 HZ1 LYS 73 50.014 5.739 13.681 581 2HZ LYS 73 HZ2 LYS 73 51.183 4.577 13.267 582 3HZ LYS 73 HZ3 LYS 73 50.253 4.387 14.676 583 H THR 74 HN THR 74 46.937 9.162 9.303 584 HA THR 74 HA THR 74 48.565 11.014 10.983 585 HB THR 74 HB THR 74 48.509 11.458 8.533 586 HG1 THR 74 HG1 THR 74 47.985 13.628 8.766 587 1HG2 THR 74 HG21 THR 74 45.552 11.535 9.094 588 2HG2 THR 74 HG22 THR 74 46.410 10.681 7.812 589 3HG2 THR 74 HG23 THR 74 46.236 12.435 7.741 590 H ARG 75 HN ARG 75 45.927 9.319 11.481 591 HA ARG 75 HA ARG 75 44.758 11.296 13.278 592 1HB ARG 75 HB2 ARG 75 43.777 11.442 10.745 593 2HB ARG 75 HB1 ARG 75 42.703 10.222 11.431 594 1HG ARG 75 HG2 ARG 75 41.613 12.243 11.951 595 2HG ARG 75 HG1 ARG 75 42.484 11.862 13.437 596 1HD ARG 75 HD2 ARG 75 43.107 14.079 13.144 597 2HD ARG 75 HD1 ARG 75 44.413 13.264 12.284 598 HE ARG 75 HE ARG 75 42.606 15.070 11.076 599 1HH1 ARG 75 HH21 ARG 75 45.091 13.661 9.888 600 2HH1 ARG 75 HH22 ARG 75 44.382 12.892 8.508 601 1HH2 ARG 75 HH11 ARG 75 41.124 13.308 9.620 602 2HH2 ARG 75 HH12 ARG 75 42.135 12.692 8.356 603 H LYS 76 HN LYS 76 45.942 8.643 13.481 604 HA LYS 76 HA LYS 76 43.626 7.259 14.746 605 1HB LYS 76 HB2 LYS 76 45.665 6.032 12.871 606 2HB LYS 76 HB1 LYS 76 44.638 5.073 13.938 607 1HG LYS 76 HG2 LYS 76 43.055 5.147 12.337 608 2HG LYS 76 HG1 LYS 76 42.889 6.869 12.680 609 1HD LYS 76 HD2 LYS 76 43.950 7.464 10.770 610 2HD LYS 76 HD1 LYS 76 45.208 6.247 10.993 611 1HE LYS 76 HE2 LYS 76 44.132 4.717 9.698 612 2HE LYS 76 HE1 LYS 76 42.546 5.153 10.335 613 1HZ LYS 76 HZ1 LYS 76 42.761 5.737 7.999 614 2HZ LYS 76 HZ2 LYS 76 44.100 6.722 8.349 615 3HZ LYS 76 HZ3 LYS 76 42.564 7.126 8.952 616 H ASN 77 HN ASN 77 45.597 8.871 16.016 617 HA ASN 77 HA ASN 77 47.826 7.413 17.025 618 1HB ASN 77 HB2 ASN 77 47.444 9.894 17.273 619 2HB ASN 77 HB1 ASN 77 46.243 9.528 18.512 620 1HD2 ASN 77 HD21 ASN 77 48.281 10.991 19.501 621 2HD2 ASN 77 HD22 ASN 77 49.389 10.044 20.369 Start of MODEL 3 1 1H MET 1 HT1 MET 1 56.194 -28.506 1.090 2 2H MET 1 HT2 MET 1 56.262 -27.229 -0.028 3 3H MET 1 HT3 MET 1 57.564 -27.508 1.027 4 HA MET 1 HA MET 1 58.251 -29.410 -0.086 5 1HB MET 1 HB2 MET 1 55.406 -29.554 -0.705 6 2HB MET 1 HB1 MET 1 56.398 -29.887 -2.125 7 1HG MET 1 HG2 MET 1 57.476 -31.188 0.243 8 2HG MET 1 HG1 MET 1 55.808 -31.678 -0.055 9 1HE MET 1 HE1 MET 1 56.253 -34.500 -1.926 10 2HE MET 1 HE2 MET 1 55.180 -33.274 -2.598 11 3HE MET 1 HE3 MET 1 55.367 -33.409 -0.851 12 H ASP 2 HN ASP 2 59.429 -27.278 -0.623 13 HA ASP 2 HA ASP 2 60.440 -25.939 -2.262 14 1HB ASP 2 HB2 ASP 2 59.085 -27.687 -4.319 15 2HB ASP 2 HB1 ASP 2 60.633 -26.851 -4.443 16 H ARG 3 HN ARG 3 59.672 -23.923 -2.643 17 HA ARG 3 HA ARG 3 56.816 -23.538 -3.251 18 1HB ARG 3 HB2 ARG 3 57.435 -21.097 -3.103 19 2HB ARG 3 HB1 ARG 3 57.797 -22.019 -1.643 20 1HG ARG 3 HG2 ARG 3 59.985 -22.022 -3.606 21 2HG ARG 3 HG1 ARG 3 59.600 -20.419 -2.980 22 1HD ARG 3 HD2 ARG 3 60.021 -21.059 -0.746 23 2HD ARG 3 HD1 ARG 3 59.910 -22.777 -1.126 24 HE ARG 3 HE ARG 3 62.237 -21.028 -1.714 25 1HH1 ARG 3 HH11 ARG 3 61.271 -23.395 -3.605 26 2HH1 ARG 3 HH12 ARG 3 62.433 -24.594 -3.144 27 1HH2 ARG 3 HH21 ARG 3 63.485 -22.870 -0.324 28 2HH2 ARG 3 HH22 ARG 3 63.687 -24.296 -1.286 29 H PHE 4 HN PHE 4 56.434 -21.686 -4.986 30 HA PHE 4 HA PHE 4 57.732 -22.653 -7.470 31 1HB PHE 4 HB2 PHE 4 55.540 -20.602 -7.426 32 2HB PHE 4 HB1 PHE 4 55.863 -21.863 -8.617 33 HD1 PHE 4 HD1 PHE 4 56.123 -24.288 -7.054 34 HD2 PHE 4 HD2 PHE 4 53.417 -20.995 -6.517 35 HE1 PHE 4 HE1 PHE 4 54.523 -25.790 -5.900 36 HE2 PHE 4 HE2 PHE 4 51.817 -22.498 -5.363 37 HZ PHE 4 HZ PHE 4 52.370 -24.896 -5.054 38 H HIS 5 HN HIS 5 58.073 -20.140 -5.243 39 HA HIS 5 HA HIS 5 59.617 -18.565 -7.254 40 1HB HIS 5 HB2 HIS 5 57.230 -17.684 -6.216 41 2HB HIS 5 HB1 HIS 5 58.391 -16.986 -5.087 42 HD1 HIS 5 HD1 HIS 5 59.706 -14.985 -5.878 43 HD2 HIS 5 HD2 HIS 5 57.768 -16.930 -9.016 44 HE1 HIS 5 HE1 HIS 5 60.022 -13.531 -7.928 45 H ALA 6 HN ALA 6 61.691 -18.873 -6.570 46 HA ALA 6 HA ALA 6 62.251 -18.410 -3.670 47 1HB ALA 6 HB1 ALA 6 62.780 -20.771 -5.272 48 2HB ALA 6 HB2 ALA 6 62.987 -20.537 -3.536 49 3HB ALA 6 HB3 ALA 6 64.282 -20.090 -4.647 50 H THR 7 HN THR 7 62.702 -17.306 -6.757 51 HA THR 7 HA THR 7 65.494 -16.398 -6.289 52 HB THR 7 HB THR 7 65.067 -15.429 -8.691 53 HG1 THR 7 HG1 THR 7 63.223 -17.539 -8.776 54 1HG2 THR 7 HG21 THR 7 66.266 -17.217 -9.400 55 2HG2 THR 7 HG22 THR 7 65.025 -18.361 -8.890 56 3HG2 THR 7 HG23 THR 7 66.191 -17.745 -7.719 57 H SER 8 HN SER 8 62.935 -15.374 -4.942 58 HA SER 8 HA SER 8 62.760 -12.610 -5.941 59 1HB SER 8 HB2 SER 8 60.698 -13.537 -5.143 60 2HB SER 8 HB1 SER 8 61.448 -14.086 -3.647 61 HG SER 8 HG SER 8 60.177 -11.964 -3.780 62 H ALA 9 HN ALA 9 64.272 -11.144 -5.333 63 HA ALA 9 HA ALA 9 66.271 -11.549 -3.386 64 1HB ALA 9 HB1 ALA 9 66.953 -9.685 -4.460 65 2HB ALA 9 HB2 ALA 9 65.842 -8.781 -3.431 66 3HB ALA 9 HB3 ALA 9 65.317 -9.338 -5.020 67 H ASP 10 HN ASP 10 66.514 -10.532 -1.251 68 HA ASP 10 HA ASP 10 63.935 -9.820 0.065 69 1HB ASP 10 HB2 ASP 10 65.318 -12.269 0.430 70 2HB ASP 10 HB1 ASP 10 65.597 -11.311 1.885 71 H CYS 11 HN CYS 11 67.349 -10.292 1.053 72 HA CYS 11 HA CYS 11 67.242 -7.820 2.624 73 1HB CYS 11 HB2 CYS 11 69.285 -9.971 2.149 74 2HB CYS 11 HB1 CYS 11 69.789 -8.434 2.851 75 H CYS 12 HN CYS 12 69.523 -6.499 2.294 76 HA CYS 12 HA CYS 12 69.368 -5.555 -0.524 77 1HB CYS 12 HB2 CYS 12 70.158 -4.312 2.084 78 2HB CYS 12 HB1 CYS 12 70.870 -3.675 0.602 79 H ILE 13 HN ILE 13 71.041 -5.943 -1.902 80 HA ILE 13 HA ILE 13 73.578 -6.995 -0.718 81 HB ILE 13 HB ILE 13 72.247 -8.531 -2.233 82 1HG1 ILE 13 HG12 ILE 13 74.997 -7.684 -3.203 83 2HG1 ILE 13 HG11 ILE 13 74.683 -8.801 -1.874 84 1HG2 ILE 13 HG21 ILE 13 71.537 -6.646 -3.767 85 2HG2 ILE 13 HG22 ILE 13 72.181 -8.063 -4.598 86 3HG2 ILE 13 HG23 ILE 13 73.185 -6.627 -4.396 87 1HD1 ILE 13 HD11 ILE 13 74.862 -10.378 -3.518 88 2HD1 ILE 13 HD12 ILE 13 74.464 -9.234 -4.799 89 3HD1 ILE 13 HD13 ILE 13 73.179 -9.945 -3.822 90 H SER 14 HN SER 14 72.161 -4.640 -2.893 91 HA SER 14 HA SER 14 74.776 -3.243 -2.980 92 1HB SER 14 HB2 SER 14 74.959 -4.312 -5.061 93 2HB SER 14 HB1 SER 14 73.225 -4.242 -5.358 94 HG SER 14 HG SER 14 73.620 -2.454 -6.373 95 H TYR 15 HN TYR 15 74.496 -1.052 -2.751 96 HA TYR 15 HA TYR 15 71.696 -0.066 -2.650 97 1HB TYR 15 HB2 TYR 15 74.275 1.254 -1.748 98 2HB TYR 15 HB1 TYR 15 72.647 1.871 -1.467 99 HD1 TYR 15 HD1 TYR 15 75.030 -0.846 -0.654 100 HD2 TYR 15 HD2 TYR 15 71.213 0.919 0.220 101 HE1 TYR 15 HE1 TYR 15 74.850 -2.246 1.386 102 HE2 TYR 15 HE2 TYR 15 71.032 -0.480 2.260 103 HH TYR 15 HH TYR 15 73.637 -2.745 3.169 104 H THR 16 HN THR 16 71.082 1.854 -3.800 105 HA THR 16 HA THR 16 72.349 2.108 -6.405 106 HB THR 16 HB THR 16 69.870 2.349 -5.969 107 HG1 THR 16 HG1 THR 16 70.821 4.737 -7.080 108 1HG2 THR 16 HG21 THR 16 70.595 3.994 -3.953 109 2HG2 THR 16 HG22 THR 16 69.017 4.078 -4.736 110 3HG2 THR 16 HG23 THR 16 70.300 5.189 -5.216 111 HA PRO 17 HA PRO 17 75.132 5.257 -4.842 112 1HB PRO 17 HB2 PRO 17 76.635 5.393 -7.141 113 2HB PRO 17 HB1 PRO 17 76.847 4.141 -5.904 114 1HG PRO 17 HG2 PRO 17 75.576 3.927 -8.594 115 2HG PRO 17 HG1 PRO 17 76.367 2.674 -7.624 116 1HD PRO 17 HD2 PRO 17 73.574 3.039 -7.896 117 2HD PRO 17 HD1 PRO 17 74.380 2.025 -6.680 118 H ARG 18 HN ARG 18 72.729 6.335 -5.433 119 HA ARG 18 HA ARG 18 73.442 8.755 -6.931 120 1HB ARG 18 HB2 ARG 18 71.273 6.866 -7.880 121 2HB ARG 18 HB1 ARG 18 71.367 8.555 -8.380 122 1HG ARG 18 HG2 ARG 18 73.695 8.134 -9.196 123 2HG ARG 18 HG1 ARG 18 73.482 6.426 -8.812 124 1HD ARG 18 HD2 ARG 18 71.435 6.453 -10.312 125 2HD ARG 18 HD1 ARG 18 71.933 8.064 -10.833 126 HE ARG 18 HE ARG 18 73.227 5.540 -11.570 127 1HH1 ARG 18 HH11 ARG 18 72.705 8.132 -13.197 128 2HH1 ARG 18 HH12 ARG 18 74.333 8.660 -13.459 129 1HH2 ARG 18 HH21 ARG 18 75.680 6.569 -11.043 130 2HH2 ARG 18 HH22 ARG 18 76.018 7.775 -12.239 131 H SER 19 HN SER 19 72.171 10.516 -6.274 132 HA SER 19 HA SER 19 70.431 9.984 -3.936 133 1HB SER 19 HB2 SER 19 72.252 12.037 -4.623 134 2HB SER 19 HB1 SER 19 70.654 12.779 -4.621 135 HG SER 19 HG SER 19 71.610 11.090 -2.553 136 H ILE 20 HN ILE 20 68.382 9.446 -4.600 137 HA ILE 20 HA ILE 20 67.164 11.014 -6.818 138 HB ILE 20 HB ILE 20 66.308 8.445 -5.452 139 1HG1 ILE 20 HG12 ILE 20 67.082 8.888 -8.341 140 2HG1 ILE 20 HG11 ILE 20 68.279 8.486 -7.109 141 1HG2 ILE 20 HG21 ILE 20 65.042 9.668 -7.904 142 2HG2 ILE 20 HG22 ILE 20 64.458 10.053 -6.285 143 3HG2 ILE 20 HG23 ILE 20 64.413 8.388 -6.866 144 1HD1 ILE 20 HD11 ILE 20 66.481 6.582 -6.543 145 2HD1 ILE 20 HD12 ILE 20 67.729 6.349 -7.768 146 3HD1 ILE 20 HD13 ILE 20 66.095 6.806 -8.250 147 HA PRO 21 HA PRO 21 64.780 13.238 -3.840 148 1HB PRO 21 HB2 PRO 21 62.966 14.317 -5.602 149 2HB PRO 21 HB1 PRO 21 64.627 14.908 -5.422 150 1HG PRO 21 HG2 PRO 21 63.445 13.276 -7.620 151 2HG PRO 21 HG1 PRO 21 64.827 14.383 -7.663 152 1HD PRO 21 HD2 PRO 21 64.968 11.556 -7.555 153 2HD PRO 21 HD1 PRO 21 66.313 12.682 -7.273 154 H CYS 22 HN CYS 22 62.605 13.203 -2.898 155 HA CYS 22 HA CYS 22 61.338 10.626 -2.991 156 1HB CYS 22 HB2 CYS 22 61.105 13.053 -1.453 157 2HB CYS 22 HB1 CYS 22 59.500 12.505 -1.935 158 H SER 23 HN SER 23 60.857 13.590 -4.767 159 HA SER 23 HA SER 23 58.201 13.352 -5.629 160 1HB SER 23 HB2 SER 23 59.461 14.163 -7.923 161 2HB SER 23 HB1 SER 23 59.044 15.233 -6.588 162 HG SER 23 HG SER 23 61.122 15.545 -6.501 163 H LEU 24 HN LEU 24 60.937 11.344 -6.399 164 HA LEU 24 HA LEU 24 59.301 9.931 -8.463 165 1HB LEU 24 HB2 LEU 24 61.850 10.861 -8.714 166 2HB LEU 24 HB1 LEU 24 62.158 9.218 -8.151 167 HG LEU 24 HG LEU 24 60.060 9.209 -10.140 168 1HD1 LEU 24 HD11 LEU 24 62.023 9.755 -11.932 169 2HD1 LEU 24 HD12 LEU 24 62.439 10.904 -10.660 170 3HD1 LEU 24 HD13 LEU 24 60.840 10.950 -11.402 171 1HD2 LEU 24 HD21 LEU 24 62.173 7.614 -9.261 172 2HD2 LEU 24 HD22 LEU 24 62.647 8.078 -10.895 173 3HD2 LEU 24 HD23 LEU 24 61.108 7.262 -10.622 174 H LEU 25 HN LEU 25 59.084 9.642 -5.499 175 HA LEU 25 HA LEU 25 59.683 6.716 -5.379 176 1HB LEU 25 HB2 LEU 25 60.010 8.761 -3.162 177 2HB LEU 25 HB1 LEU 25 60.125 7.015 -2.934 178 HG LEU 25 HG LEU 25 61.903 8.743 -4.677 179 1HD1 LEU 25 HD11 LEU 25 62.049 7.704 -1.962 180 2HD1 LEU 25 HD12 LEU 25 63.101 8.867 -2.769 181 3HD1 LEU 25 HD13 LEU 25 63.401 7.138 -2.942 182 1HD2 LEU 25 HD21 LEU 25 61.293 5.857 -4.715 183 2HD2 LEU 25 HD22 LEU 25 63.014 6.229 -4.628 184 3HD2 LEU 25 HD23 LEU 25 62.041 6.864 -5.955 185 H GLU 26 HN GLU 26 57.905 5.515 -4.874 186 HA GLU 26 HA GLU 26 55.414 6.954 -4.179 187 1HB GLU 26 HB2 GLU 26 56.112 4.327 -5.371 188 2HB GLU 26 HB1 GLU 26 54.672 4.348 -4.352 189 1HG GLU 26 HG2 GLU 26 53.992 6.454 -5.691 190 2HG GLU 26 HG1 GLU 26 55.222 5.948 -6.850 191 H SER 27 HN SER 27 57.750 4.759 -2.762 192 HA SER 27 HA SER 27 56.886 5.319 -0.092 193 1HB SER 27 HB2 SER 27 56.335 2.555 -0.094 194 2HB SER 27 HB1 SER 27 55.186 3.865 0.161 195 HG SER 27 HG SER 27 54.473 2.695 -1.580 196 H TYR 28 HN TYR 28 57.848 3.336 1.383 197 HA TYR 28 HA TYR 28 60.197 2.055 0.227 198 1HB TYR 28 HB2 TYR 28 61.892 3.290 1.402 199 2HB TYR 28 HB1 TYR 28 60.900 4.475 0.551 200 HD1 TYR 28 HD1 TYR 28 59.296 5.890 1.766 201 HD2 TYR 28 HD2 TYR 28 61.821 3.090 3.825 202 HE1 TYR 28 HE1 TYR 28 58.770 7.000 3.921 203 HE2 TYR 28 HE2 TYR 28 61.295 4.200 5.979 204 HH TYR 28 HH TYR 28 60.532 6.579 6.682 205 H PHE 29 HN PHE 29 61.524 1.032 2.110 206 HA PHE 29 HA PHE 29 60.232 0.716 4.676 207 1HB PHE 29 HB2 PHE 29 59.881 -1.860 4.156 208 2HB PHE 29 HB1 PHE 29 58.615 -0.691 3.781 209 HD1 PHE 29 HD1 PHE 29 61.185 -2.914 2.401 210 HD2 PHE 29 HD2 PHE 29 58.235 0.064 1.465 211 HE1 PHE 29 HE1 PHE 29 61.317 -3.537 0.004 212 HE2 PHE 29 HE2 PHE 29 58.367 -0.558 -0.932 213 HZ PHE 29 HZ PHE 29 59.908 -2.359 -1.662 214 H GLU 30 HN GLU 30 61.346 -1.134 5.917 215 HA GLU 30 HA GLU 30 64.213 -1.127 5.139 216 1HB GLU 30 HB2 GLU 30 62.804 -1.810 7.734 217 2HB GLU 30 HB1 GLU 30 64.544 -1.975 7.491 218 1HG GLU 30 HG2 GLU 30 64.801 0.381 7.110 219 2HG GLU 30 HG1 GLU 30 63.056 0.618 7.018 220 H THR 31 HN THR 31 65.369 -3.063 4.856 221 HA THR 31 HA THR 31 63.813 -5.354 3.990 222 HB THR 31 HB THR 31 65.935 -6.356 3.440 223 HG1 THR 31 HG1 THR 31 67.861 -5.400 4.220 224 1HG2 THR 31 HG21 THR 31 66.959 -3.740 2.839 225 2HG2 THR 31 HG22 THR 31 65.206 -3.733 2.644 226 3HG2 THR 31 HG23 THR 31 66.188 -4.896 1.753 227 H ASN 32 HN ASN 32 64.683 -7.617 4.881 228 HA ASN 32 HA ASN 32 63.676 -8.013 7.456 229 1HB ASN 32 HB2 ASN 32 65.617 -9.530 5.748 230 2HB ASN 32 HB1 ASN 32 65.388 -10.036 7.422 231 1HD2 ASN 32 HD21 ASN 32 63.154 -8.864 4.828 232 2HD2 ASN 32 HD22 ASN 32 62.041 -10.131 5.018 233 H SER 33 HN SER 33 64.348 -6.902 9.236 234 HA SER 33 HA SER 33 66.890 -5.725 9.621 235 1HB SER 33 HB2 SER 33 64.937 -6.741 11.706 236 2HB SER 33 HB1 SER 33 66.283 -5.652 12.029 237 HG SER 33 HG SER 33 64.333 -4.515 11.686 238 H GLU 34 HN GLU 34 65.957 -9.030 9.792 239 HA GLU 34 HA GLU 34 67.801 -10.041 11.697 240 1HB GLU 34 HB2 GLU 34 66.416 -11.162 9.295 241 2HB GLU 34 HB1 GLU 34 67.742 -12.088 9.997 242 1HG GLU 34 HG2 GLU 34 66.654 -12.173 12.142 243 2HG GLU 34 HG1 GLU 34 65.424 -11.018 11.625 244 H CYS 35 HN CYS 35 68.213 -9.292 8.257 245 HA CYS 35 HA CYS 35 70.803 -10.351 7.878 246 1HB CYS 35 HB2 CYS 35 69.184 -8.204 6.620 247 2HB CYS 35 HB1 CYS 35 70.924 -8.113 6.352 248 H SER 36 HN SER 36 72.731 -9.829 8.791 249 HA SER 36 HA SER 36 73.044 -7.939 10.855 250 1HB SER 36 HB2 SER 36 74.641 -9.859 9.841 251 2HB SER 36 HB1 SER 36 75.410 -8.447 9.121 252 HG SER 36 HG SER 36 75.670 -7.587 11.169 253 H LYS 37 HN LYS 37 73.540 -7.567 7.361 254 HA LYS 37 HA LYS 37 73.933 -4.638 7.834 255 1HB LYS 37 HB2 LYS 37 74.773 -6.226 5.392 256 2HB LYS 37 HB1 LYS 37 75.195 -4.556 5.773 257 1HG LYS 37 HG2 LYS 37 75.939 -6.882 7.561 258 2HG LYS 37 HG1 LYS 37 77.000 -6.275 6.289 259 1HD LYS 37 HD2 LYS 37 75.975 -4.092 7.903 260 2HD LYS 37 HD1 LYS 37 76.795 -5.287 8.909 261 1HE LYS 37 HE2 LYS 37 78.576 -5.175 6.914 262 2HE LYS 37 HE1 LYS 37 77.896 -3.557 6.742 263 1HZ LYS 37 HZ1 LYS 37 79.802 -4.338 8.545 264 2HZ LYS 37 HZ2 LYS 37 78.382 -4.218 9.471 265 3HZ LYS 37 HZ3 LYS 37 78.928 -2.885 8.572 266 HA PRO 38 HA PRO 38 69.899 -5.118 5.693 267 1HB PRO 38 HB2 PRO 38 68.581 -3.349 7.333 268 2HB PRO 38 HB1 PRO 38 68.731 -5.081 7.680 269 1HG PRO 38 HG2 PRO 38 70.154 -2.783 8.941 270 2HG PRO 38 HG1 PRO 38 69.784 -4.379 9.614 271 1HD PRO 38 HD2 PRO 38 72.295 -3.548 8.603 272 2HD PRO 38 HD1 PRO 38 71.818 -5.219 8.973 273 H GLY 39 HN GLY 39 68.377 -2.913 5.275 274 1HA GLY 39 HA2 GLY 39 69.788 -0.469 4.903 275 2HA GLY 39 HA1 GLY 39 69.754 -1.376 3.395 276 H VAL 40 HN VAL 40 68.460 0.904 3.150 277 HA VAL 40 HA VAL 40 65.583 0.342 3.723 278 HB VAL 40 HB VAL 40 67.007 2.940 3.073 279 1HG1 VAL 40 HG11 VAL 40 64.674 3.864 3.710 280 2HG1 VAL 40 HG12 VAL 40 64.090 2.232 3.387 281 3HG1 VAL 40 HG13 VAL 40 64.862 3.162 2.102 282 1HG2 VAL 40 HG21 VAL 40 67.240 3.134 5.305 283 2HG2 VAL 40 HG22 VAL 40 66.553 1.522 5.507 284 3HG2 VAL 40 HG23 VAL 40 65.499 2.936 5.513 285 H ILE 41 HN ILE 41 64.282 -0.138 2.014 286 HA ILE 41 HA ILE 41 65.435 0.142 -0.716 287 HB ILE 41 HB ILE 41 62.915 -1.349 0.040 288 1HG1 ILE 41 HG12 ILE 41 65.805 -2.258 0.131 289 2HG1 ILE 41 HG11 ILE 41 64.624 -2.299 1.441 290 1HG2 ILE 41 HG21 ILE 41 63.988 -0.723 -2.402 291 2HG2 ILE 41 HG22 ILE 41 62.969 -2.130 -2.098 292 3HG2 ILE 41 HG23 ILE 41 64.724 -2.296 -2.093 293 1HD1 ILE 41 HD11 ILE 41 64.750 -4.019 -1.030 294 2HD1 ILE 41 HD12 ILE 41 63.238 -3.816 -0.145 295 3HD1 ILE 41 HD13 ILE 41 64.642 -4.521 0.657 296 H PHE 42 HN PHE 42 64.334 1.311 -2.323 297 HA PHE 42 HA PHE 42 61.984 2.896 -1.361 298 1HB PHE 42 HB2 PHE 42 64.440 3.694 -2.871 299 2HB PHE 42 HB1 PHE 42 62.928 4.517 -3.252 300 HD1 PHE 42 HD1 PHE 42 65.604 4.117 -0.827 301 HD2 PHE 42 HD2 PHE 42 61.647 5.679 -1.425 302 HE1 PHE 42 HE1 PHE 42 65.846 5.510 1.210 303 HE2 PHE 42 HE2 PHE 42 61.890 7.073 0.612 304 HZ PHE 42 HZ PHE 42 63.989 6.988 1.929 305 H LEU 43 HN LEU 43 60.182 2.794 -2.638 306 HA LEU 43 HA LEU 43 60.396 1.214 -5.152 307 1HB LEU 43 HB2 LEU 43 58.733 0.633 -3.272 308 2HB LEU 43 HB1 LEU 43 57.842 2.068 -3.782 309 HG LEU 43 HG LEU 43 58.659 0.225 -5.956 310 1HD1 LEU 43 HD11 LEU 43 57.926 -1.259 -4.015 311 2HD1 LEU 43 HD12 LEU 43 56.990 -1.430 -5.500 312 3HD1 LEU 43 HD13 LEU 43 56.340 -0.499 -4.151 313 1HD2 LEU 43 HD21 LEU 43 57.007 2.400 -5.708 314 2HD2 LEU 43 HD22 LEU 43 55.853 1.072 -5.587 315 3HD2 LEU 43 HD23 LEU 43 56.891 1.210 -7.005 316 H THR 44 HN THR 44 60.029 2.181 -7.117 317 HA THR 44 HA THR 44 59.407 5.090 -7.079 318 HB THR 44 HB THR 44 60.395 5.189 -9.264 319 HG1 THR 44 HG1 THR 44 60.960 3.271 -10.348 320 1HG2 THR 44 HG21 THR 44 61.779 4.287 -7.029 321 2HG2 THR 44 HG22 THR 44 62.503 4.933 -8.502 322 3HG2 THR 44 HG23 THR 44 62.298 3.192 -8.310 323 H LYS 45 HN LYS 45 58.068 5.809 -9.076 324 HA LYS 45 HA LYS 45 55.525 4.394 -8.974 325 1HB LYS 45 HB2 LYS 45 55.632 6.856 -9.149 326 2HB LYS 45 HB1 LYS 45 56.420 6.709 -10.720 327 1HG LYS 45 HG2 LYS 45 54.463 5.614 -11.658 328 2HG LYS 45 HG1 LYS 45 53.681 5.580 -10.077 329 1HD LYS 45 HD2 LYS 45 52.804 7.447 -11.405 330 2HD LYS 45 HD1 LYS 45 53.717 8.062 -10.027 331 1HE LYS 45 HE2 LYS 45 55.288 7.594 -12.497 332 2HE LYS 45 HE1 LYS 45 54.119 8.912 -12.573 333 1HZ LYS 45 HZ1 LYS 45 56.434 9.448 -11.717 334 2HZ LYS 45 HZ2 LYS 45 55.984 8.626 -10.299 335 3HZ LYS 45 HZ3 LYS 45 55.123 10.004 -10.796 336 H LYS 46 HN LYS 46 58.312 3.765 -10.650 337 HA LYS 46 HA LYS 46 56.850 2.753 -13.047 338 1HB LYS 46 HB2 LYS 46 59.219 4.193 -12.866 339 2HB LYS 46 HB1 LYS 46 59.769 2.533 -13.099 340 1HG LYS 46 HG2 LYS 46 59.123 2.545 -15.257 341 2HG LYS 46 HG1 LYS 46 57.515 3.132 -14.829 342 1HD LYS 46 HD2 LYS 46 58.029 5.247 -15.425 343 2HD LYS 46 HD1 LYS 46 59.543 5.205 -14.521 344 1HE LYS 46 HE2 LYS 46 60.641 5.093 -16.482 345 2HE LYS 46 HE1 LYS 46 59.932 3.497 -16.729 346 1HZ LYS 46 HZ1 LYS 46 57.969 4.617 -17.684 347 2HZ LYS 46 HZ2 LYS 46 59.388 4.885 -18.580 348 3HZ LYS 46 HZ3 LYS 46 58.779 6.102 -17.562 349 H GLY 47 HN GLY 47 56.871 1.471 -10.377 350 1HA GLY 47 HA2 GLY 47 57.120 -0.668 -9.470 351 2HA GLY 47 HA1 GLY 47 57.193 -1.219 -11.141 352 H ARG 48 HN ARG 48 59.498 1.074 -9.841 353 HA ARG 48 HA ARG 48 61.602 -1.038 -10.090 354 1HB ARG 48 HB2 ARG 48 61.414 1.494 -11.305 355 2HB ARG 48 HB1 ARG 48 62.629 1.673 -10.039 356 1HG ARG 48 HG2 ARG 48 62.604 -0.455 -12.200 357 2HG ARG 48 HG1 ARG 48 63.700 0.924 -12.110 358 1HD ARG 48 HD2 ARG 48 64.787 0.077 -10.180 359 2HD ARG 48 HD1 ARG 48 63.495 -1.080 -9.861 360 HE ARG 48 HE ARG 48 64.772 -1.550 -12.428 361 1HH1 ARG 48 HH11 ARG 48 66.880 -1.410 -10.160 362 2HH1 ARG 48 HH12 ARG 48 67.012 -3.090 -9.760 363 1HH2 ARG 48 HH21 ARG 48 64.108 -3.988 -11.428 364 2HH2 ARG 48 HH22 ARG 48 65.442 -4.550 -10.478 365 H ARG 49 HN ARG 49 62.588 -1.604 -8.212 366 HA ARG 49 HA ARG 49 62.526 0.364 -5.960 367 1HB ARG 49 HB2 ARG 49 62.137 -1.426 -4.401 368 2HB ARG 49 HB1 ARG 49 60.947 -1.607 -5.690 369 1HG ARG 49 HG2 ARG 49 62.436 -3.264 -6.798 370 2HG ARG 49 HG1 ARG 49 63.562 -3.124 -5.447 371 1HD ARG 49 HD2 ARG 49 62.288 -4.434 -4.109 372 2HD ARG 49 HD1 ARG 49 60.799 -3.625 -4.597 373 HE ARG 49 HE ARG 49 61.738 -5.282 -6.743 374 1HH1 ARG 49 HH21 ARG 49 60.729 -5.627 -3.480 375 2HH1 ARG 49 HH22 ARG 49 59.734 -7.011 -3.787 376 1HH2 ARG 49 HH11 ARG 49 60.274 -6.971 -7.212 377 2HH2 ARG 49 HH12 ARG 49 59.476 -7.772 -5.900 378 H PHE 50 HN PHE 50 64.470 0.645 -4.896 379 HA PHE 50 HA PHE 50 66.676 -1.265 -5.484 380 1HB PHE 50 HB2 PHE 50 68.176 0.822 -5.718 381 2HB PHE 50 HB1 PHE 50 67.137 0.421 -7.086 382 HD1 PHE 50 HD1 PHE 50 65.475 1.930 -7.842 383 HD2 PHE 50 HD2 PHE 50 67.357 2.553 -4.032 384 HE1 PHE 50 HE1 PHE 50 64.380 4.148 -7.664 385 HE2 PHE 50 HE2 PHE 50 66.262 4.771 -3.854 386 HZ PHE 50 HZ PHE 50 64.774 5.569 -5.670 387 H CYS 51 HN CYS 51 68.489 -1.013 -3.922 388 HA CYS 51 HA CYS 51 67.457 -0.464 -1.242 389 1HB CYS 51 HB2 CYS 51 70.084 -1.487 -2.330 390 2HB CYS 51 HB1 CYS 51 69.852 -1.146 -0.618 391 H ALA 52 HN ALA 52 68.441 1.074 0.227 392 HA ALA 52 HA ALA 52 70.154 3.153 -1.037 393 1HB ALA 52 HB1 ALA 52 68.693 4.898 0.110 394 2HB ALA 52 HB2 ALA 52 67.503 3.618 0.351 395 3HB ALA 52 HB3 ALA 52 67.963 4.098 -1.283 396 H ASN 53 HN ASN 53 71.213 4.536 0.614 397 HA ASN 53 HA ASN 53 71.874 2.943 2.999 398 1HB ASN 53 HB2 ASN 53 73.562 4.214 1.526 399 2HB ASN 53 HB1 ASN 53 72.967 5.674 2.316 400 1HD2 ASN 53 HD21 ASN 53 74.905 2.783 2.765 401 2HD2 ASN 53 HD22 ASN 53 75.416 3.139 4.343 402 HA PRO 54 HA PRO 54 69.045 5.281 5.489 403 1HB PRO 54 HB2 PRO 54 69.842 4.232 7.904 404 2HB PRO 54 HB1 PRO 54 68.787 3.379 6.764 405 1HG PRO 54 HG2 PRO 54 71.674 2.914 7.360 406 2HG PRO 54 HG1 PRO 54 70.450 1.773 6.778 407 1HD PRO 54 HD2 PRO 54 72.430 3.012 5.190 408 2HD PRO 54 HD1 PRO 54 70.988 2.170 4.583 409 H SER 55 HN SER 55 72.318 5.746 5.225 410 HA SER 55 HA SER 55 72.471 7.696 7.467 411 1HB SER 55 HB2 SER 55 74.704 6.922 5.583 412 2HB SER 55 HB1 SER 55 74.838 7.665 7.174 413 HG SER 55 HG SER 55 75.249 5.391 7.181 414 H ASP 56 HN ASP 56 71.651 7.596 4.215 415 HA ASP 56 HA ASP 56 72.868 10.121 3.401 416 1HB ASP 56 HB2 ASP 56 72.264 8.372 1.751 417 2HB ASP 56 HB1 ASP 56 70.564 8.579 2.171 418 H LYS 57 HN LYS 57 71.994 12.151 3.620 419 HA LYS 57 HA LYS 57 69.881 12.624 5.473 420 1HB LYS 57 HB2 LYS 57 70.868 14.482 3.287 421 2HB LYS 57 HB1 LYS 57 70.006 14.953 4.752 422 1HG LYS 57 HG2 LYS 57 71.832 14.304 6.152 423 2HG LYS 57 HG1 LYS 57 72.641 13.470 4.824 424 1HD LYS 57 HD2 LYS 57 73.646 15.370 4.153 425 2HD LYS 57 HD1 LYS 57 72.108 16.233 4.124 426 1HE LYS 57 HE2 LYS 57 72.583 17.274 6.063 427 2HE LYS 57 HE1 LYS 57 72.940 15.738 6.854 428 1HZ LYS 57 HZ1 LYS 57 75.107 15.943 5.415 429 2HZ LYS 57 HZ2 LYS 57 74.979 16.709 6.926 430 3HZ LYS 57 HZ3 LYS 57 74.746 17.599 5.497 431 H GLN 58 HN GLN 58 69.902 12.424 1.932 432 HA GLN 58 HA GLN 58 67.240 13.321 1.479 433 1HB GLN 58 HB2 GLN 58 69.204 11.637 -0.005 434 2HB GLN 58 HB1 GLN 58 67.517 11.539 -0.510 435 1HG GLN 58 HG2 GLN 58 67.845 14.247 -0.209 436 2HG GLN 58 HG1 GLN 58 69.436 13.758 -0.794 437 1HE2 GLN 58 HE21 GLN 58 66.431 14.728 -1.889 438 2HE2 GLN 58 HE22 GLN 58 66.457 14.012 -3.428 439 H VAL 59 HN VAL 59 68.506 10.226 2.570 440 HA VAL 59 HA VAL 59 66.044 8.754 2.182 441 HB VAL 59 HB VAL 59 68.473 8.271 3.927 442 1HG1 VAL 59 HG11 VAL 59 65.866 6.816 3.706 443 2HG1 VAL 59 HG12 VAL 59 66.905 7.043 5.112 444 3HG1 VAL 59 HG13 VAL 59 67.342 5.866 3.874 445 1HG2 VAL 59 HG21 VAL 59 69.314 7.199 2.120 446 2HG2 VAL 59 HG22 VAL 59 68.034 7.974 1.188 447 3HG2 VAL 59 HG23 VAL 59 67.796 6.349 1.832 448 H GLN 60 HN GLN 60 67.589 10.141 5.101 449 HA GLN 60 HA GLN 60 65.403 9.596 6.853 450 1HB GLN 60 HB2 GLN 60 67.411 11.866 7.009 451 2HB GLN 60 HB1 GLN 60 66.428 11.255 8.341 452 1HG GLN 60 HG2 GLN 60 67.498 8.978 7.910 453 2HG GLN 60 HG1 GLN 60 68.641 9.819 6.861 454 1HE2 GLN 60 HE21 GLN 60 69.479 12.005 8.100 455 2HE2 GLN 60 HE22 GLN 60 70.025 11.716 9.681 456 H VAL 61 HN VAL 61 66.008 12.200 4.570 457 HA VAL 61 HA VAL 61 63.916 13.941 5.570 458 HB VAL 61 HB VAL 61 65.383 13.789 2.926 459 1HG1 VAL 61 HG11 VAL 61 63.295 14.752 2.343 460 2HG1 VAL 61 HG12 VAL 61 64.349 16.134 2.641 461 3HG1 VAL 61 HG13 VAL 61 63.184 15.634 3.866 462 1HG2 VAL 61 HG21 VAL 61 65.905 14.957 5.510 463 2HG2 VAL 61 HG22 VAL 61 65.744 16.239 4.309 464 3HG2 VAL 61 HG23 VAL 61 66.931 14.955 4.076 465 H CYS 62 HN CYS 62 64.058 11.260 3.306 466 HA CYS 62 HA CYS 62 61.393 11.757 2.218 467 1HB CYS 62 HB2 CYS 62 63.522 9.711 1.889 468 2HB CYS 62 HB1 CYS 62 61.871 9.165 1.597 469 H MET 63 HN MET 63 62.754 10.025 4.925 470 HA MET 63 HA MET 63 60.512 8.277 5.407 471 1HB MET 63 HB2 MET 63 62.466 9.378 7.447 472 2HB MET 63 HB1 MET 63 61.507 7.903 7.582 473 1HG MET 63 HG2 MET 63 63.046 7.897 5.126 474 2HG MET 63 HG1 MET 63 64.100 8.131 6.520 475 1HE MET 63 HE1 MET 63 63.597 7.153 8.622 476 2HE MET 63 HE2 MET 63 63.846 5.415 8.760 477 3HE MET 63 HE3 MET 63 62.217 6.075 8.875 478 H ARG 64 HN ARG 64 61.190 11.628 6.162 479 HA ARG 64 HA ARG 64 59.056 11.864 8.138 480 1HB ARG 64 HB2 ARG 64 60.872 13.424 8.320 481 2HB ARG 64 HB1 ARG 64 60.716 13.898 6.629 482 1HG ARG 64 HG2 ARG 64 58.462 14.812 7.104 483 2HG ARG 64 HG1 ARG 64 58.654 14.373 8.802 484 1HD ARG 64 HD2 ARG 64 60.108 16.087 9.221 485 2HD ARG 64 HD1 ARG 64 60.856 15.976 7.628 486 HE ARG 64 HE ARG 64 58.223 17.312 8.118 487 1HH1 ARG 64 HH21 ARG 64 60.347 16.370 5.705 488 2HH1 ARG 64 HH22 ARG 64 60.488 17.931 4.969 489 1HH2 ARG 64 HH11 ARG 64 58.766 19.569 7.494 490 2HH2 ARG 64 HH12 ARG 64 59.593 19.743 5.983 491 H MET 65 HN MET 65 59.472 13.097 4.796 492 HA MET 65 HA MET 65 56.828 14.080 4.493 493 1HB MET 65 HB2 MET 65 58.916 14.302 2.932 494 2HB MET 65 HB1 MET 65 58.312 12.815 2.200 495 1HG MET 65 HG2 MET 65 56.633 13.903 1.152 496 2HG MET 65 HG1 MET 65 56.187 14.773 2.619 497 1HE MET 65 HE1 MET 65 55.420 16.385 1.444 498 2HE MET 65 HE2 MET 65 56.150 17.274 0.110 499 3HE MET 65 HE3 MET 65 56.340 17.862 1.759 500 H LEU 66 HN LEU 66 58.172 10.887 3.594 501 HA LEU 66 HA LEU 66 55.596 9.841 2.779 502 1HB LEU 66 HB2 LEU 66 58.332 8.723 3.233 503 2HB LEU 66 HB1 LEU 66 56.974 7.597 3.209 504 HG LEU 66 HG LEU 66 57.018 9.632 1.047 505 1HD1 LEU 66 HD11 LEU 66 58.617 7.357 0.255 506 2HD1 LEU 66 HD12 LEU 66 59.371 8.180 1.620 507 3HD1 LEU 66 HD13 LEU 66 59.005 9.074 0.144 508 1HD2 LEU 66 HD21 LEU 66 56.563 7.293 -0.154 509 2HD2 LEU 66 HD22 LEU 66 55.295 8.110 0.759 510 3HD2 LEU 66 HD23 LEU 66 56.200 6.788 1.497 511 H LYS 67 HN LYS 67 54.640 10.756 4.935 512 HA LYS 67 HA LYS 67 55.128 9.526 7.435 513 1HB LYS 67 HB2 LYS 67 52.912 10.293 8.076 514 2HB LYS 67 HB1 LYS 67 53.656 11.524 7.056 515 1HG LYS 67 HG2 LYS 67 52.479 10.340 5.088 516 2HG LYS 67 HG1 LYS 67 51.510 9.534 6.322 517 1HD LYS 67 HD2 LYS 67 51.286 12.058 7.213 518 2HD LYS 67 HD1 LYS 67 51.531 12.398 5.499 519 1HE LYS 67 HE2 LYS 67 49.360 11.916 5.153 520 2HE LYS 67 HE1 LYS 67 49.708 10.246 5.602 521 1HZ LYS 67 HZ1 LYS 67 47.949 11.224 6.964 522 2HZ LYS 67 HZ2 LYS 67 49.026 12.420 7.508 523 3HZ LYS 67 HZ3 LYS 67 49.294 10.789 7.900 524 H LEU 68 HN LEU 68 53.056 8.509 4.750 525 HA LEU 68 HA LEU 68 51.886 6.265 6.124 526 1HB LEU 68 HB2 LEU 68 51.187 5.521 3.901 527 2HB LEU 68 HB1 LEU 68 50.942 7.263 4.042 528 HG LEU 68 HG LEU 68 53.522 7.147 3.119 529 1HD1 LEU 68 HD11 LEU 68 53.759 5.462 1.487 530 2HD1 LEU 68 HD12 LEU 68 52.033 5.097 1.484 531 3HD1 LEU 68 HD13 LEU 68 53.036 4.607 2.850 532 1HD2 LEU 68 HD21 LEU 68 51.055 7.145 1.356 533 2HD2 LEU 68 HD22 LEU 68 52.597 7.937 1.030 534 3HD2 LEU 68 HD23 LEU 68 51.557 8.530 2.326 535 H ASP 69 HN ASP 69 53.002 4.511 6.815 536 HA ASP 69 HA ASP 69 55.588 3.847 5.528 537 1HB ASP 69 HB2 ASP 69 55.315 3.973 8.051 538 2HB ASP 69 HB1 ASP 69 54.312 2.526 7.936 539 H THR 70 HN THR 70 52.856 3.313 4.315 540 HA THR 70 HA THR 70 51.831 1.584 3.104 541 HB THR 70 HB THR 70 53.928 -0.378 3.147 542 HG1 THR 70 HG1 THR 70 55.550 1.097 2.287 543 1HG2 THR 70 HG21 THR 70 52.833 1.598 1.144 544 2HG2 THR 70 HG22 THR 70 52.547 -0.140 1.231 545 3HG2 THR 70 HG23 THR 70 54.125 0.470 0.731 546 H ARG 71 HN ARG 71 50.685 1.384 5.341 547 HA ARG 71 HA ARG 71 50.480 -1.438 5.958 548 1HB ARG 71 HB2 ARG 71 52.230 0.255 7.596 549 2HB ARG 71 HB1 ARG 71 50.986 -0.570 8.536 550 1HG ARG 71 HG2 ARG 71 52.070 -2.396 6.594 551 2HG ARG 71 HG1 ARG 71 53.391 -1.673 7.514 552 1HD ARG 71 HD2 ARG 71 51.308 -2.265 9.359 553 2HD ARG 71 HD1 ARG 71 51.536 -3.695 8.353 554 HE ARG 71 HE ARG 71 53.617 -4.012 9.407 555 1HH1 ARG 71 HH21 ARG 71 52.125 -1.357 10.792 556 2HH1 ARG 71 HH22 ARG 71 53.578 -0.616 11.375 557 1HH2 ARG 71 HH11 ARG 71 55.682 -2.805 9.702 558 2HH2 ARG 71 HH12 ARG 71 55.592 -1.436 10.758 559 H ILE 72 HN ILE 72 48.258 -1.264 5.731 560 HA ILE 72 HA ILE 72 46.861 0.300 7.836 561 HB ILE 72 HB ILE 72 45.152 0.941 6.019 562 1HG1 ILE 72 HG12 ILE 72 47.560 0.353 4.267 563 2HG1 ILE 72 HG11 ILE 72 46.080 -0.606 4.298 564 1HG2 ILE 72 HG21 ILE 72 47.802 2.266 5.532 565 2HG2 ILE 72 HG22 ILE 72 47.072 2.361 7.135 566 3HG2 ILE 72 HG23 ILE 72 46.210 2.999 5.735 567 1HD1 ILE 72 HD11 ILE 72 44.959 0.891 3.024 568 2HD1 ILE 72 HD12 ILE 72 46.542 1.572 2.650 569 3HD1 ILE 72 HD13 ILE 72 45.572 2.260 3.953 570 H LYS 73 HN LYS 73 46.624 -1.926 8.687 571 HA LYS 73 HA LYS 73 45.361 -4.049 7.303 572 1HB LYS 73 HB2 LYS 73 45.279 -3.303 10.241 573 2HB LYS 73 HB1 LYS 73 44.670 -4.828 9.598 574 1HG LYS 73 HG2 LYS 73 46.749 -5.688 9.414 575 2HG LYS 73 HG1 LYS 73 47.357 -4.231 8.628 576 1HD LYS 73 HD2 LYS 73 47.456 -3.125 10.875 577 2HD LYS 73 HD1 LYS 73 47.009 -4.667 11.607 578 1HE LYS 73 HE2 LYS 73 49.547 -3.918 10.182 579 2HE LYS 73 HE1 LYS 73 49.343 -4.739 11.729 580 1HZ LYS 73 HZ1 LYS 73 50.000 -6.374 10.191 581 2HZ LYS 73 HZ2 LYS 73 48.899 -5.836 9.014 582 3HZ LYS 73 HZ3 LYS 73 48.336 -6.610 10.418 583 H THR 74 HN THR 74 43.529 -2.664 9.965 584 HA THR 74 HA THR 74 41.405 -1.700 8.168 585 HB THR 74 HB THR 74 39.865 -3.270 9.781 586 HG1 THR 74 HG1 THR 74 42.027 -4.187 10.425 587 1HG2 THR 74 HG21 THR 74 39.181 -3.918 7.743 588 2HG2 THR 74 HG22 THR 74 40.673 -4.825 7.496 589 3HG2 THR 74 HG23 THR 74 40.594 -3.120 7.052 590 H ARG 75 HN ARG 75 42.051 0.271 9.343 591 HA ARG 75 HA ARG 75 40.916 0.340 12.112 592 1HB ARG 75 HB2 ARG 75 43.284 1.783 10.912 593 2HB ARG 75 HB1 ARG 75 42.494 2.355 12.382 594 1HG ARG 75 HG2 ARG 75 43.047 -0.523 12.430 595 2HG ARG 75 HG1 ARG 75 44.507 0.456 12.284 596 1HD ARG 75 HD2 ARG 75 43.276 1.884 14.182 597 2HD ARG 75 HD1 ARG 75 42.530 0.321 14.515 598 HE ARG 75 HE ARG 75 45.423 0.939 14.758 599 1HH1 ARG 75 HH21 ARG 75 44.468 -1.859 13.711 600 2HH1 ARG 75 HH22 ARG 75 44.578 -2.769 15.180 601 1HH2 ARG 75 HH11 ARG 75 44.840 0.033 17.207 602 2HH2 ARG 75 HH12 ARG 75 44.789 -1.698 17.160 603 H LYS 76 HN LYS 76 41.949 3.072 10.127 604 HA LYS 76 HA LYS 76 39.144 3.764 9.503 605 1HB LYS 76 HB2 LYS 76 39.463 6.059 10.498 606 2HB LYS 76 HB1 LYS 76 39.391 4.764 11.694 607 1HG LYS 76 HG2 LYS 76 42.076 4.840 11.095 608 2HG LYS 76 HG1 LYS 76 41.627 6.543 10.994 609 1HD LYS 76 HD2 LYS 76 41.055 4.703 13.337 610 2HD LYS 76 HD1 LYS 76 42.298 5.953 13.292 611 1HE LYS 76 HE2 LYS 76 40.745 7.691 13.347 612 2HE LYS 76 HE1 LYS 76 39.453 6.691 12.683 613 1HZ LYS 76 HZ1 LYS 76 38.874 5.979 14.699 614 2HZ LYS 76 HZ2 LYS 76 39.788 7.279 15.300 615 3HZ LYS 76 HZ3 LYS 76 40.479 5.731 15.190 616 H ASN 77 HN ASN 77 41.786 3.157 8.112 617 HA ASN 77 HA ASN 77 42.635 5.646 6.884 618 1HB ASN 77 HB2 ASN 77 44.193 3.793 6.959 619 2HB ASN 77 HB1 ASN 77 43.058 2.748 6.103 620 1HD2 ASN 77 HD21 ASN 77 43.034 2.856 3.814 621 2HD2 ASN 77 HD22 ASN 77 43.985 3.935 2.913 Start of MODEL 4 1 1H MET 1 HT1 MET 1 67.320 14.986 17.811 2 2H MET 1 HT2 MET 1 68.023 16.100 16.737 3 3H MET 1 HT3 MET 1 66.340 15.868 16.743 4 HA MET 1 HA MET 1 66.018 17.292 18.404 5 1HB MET 1 HB2 MET 1 67.659 15.382 19.655 6 2HB MET 1 HB1 MET 1 68.396 16.940 20.027 7 1HG MET 1 HG2 MET 1 66.801 16.642 21.747 8 2HG MET 1 HG1 MET 1 65.999 17.719 20.604 9 1HE MET 1 HE1 MET 1 65.183 15.666 22.939 10 2HE MET 1 HE2 MET 1 63.737 14.804 22.421 11 3HE MET 1 HE3 MET 1 63.797 16.561 22.302 12 H ASP 2 HN ASP 2 69.592 17.192 18.435 13 HA ASP 2 HA ASP 2 69.761 20.073 18.182 14 1HB ASP 2 HB2 ASP 2 71.469 18.233 19.137 15 2HB ASP 2 HB1 ASP 2 72.109 18.366 17.499 16 H ARG 3 HN ARG 3 68.819 20.763 16.246 17 HA ARG 3 HA ARG 3 69.415 19.447 13.712 18 1HB ARG 3 HB2 ARG 3 67.546 21.390 14.666 19 2HB ARG 3 HB1 ARG 3 68.417 22.093 13.302 20 1HG ARG 3 HG2 ARG 3 67.977 19.644 12.288 21 2HG ARG 3 HG1 ARG 3 66.591 19.741 13.375 22 1HD ARG 3 HD2 ARG 3 67.254 21.446 10.997 23 2HD ARG 3 HD1 ARG 3 65.714 20.719 11.453 24 HE ARG 3 HE ARG 3 66.779 23.276 12.445 25 1HH1 ARG 3 HH11 ARG 3 63.960 21.885 11.642 26 2HH1 ARG 3 HH12 ARG 3 63.099 22.245 13.101 27 1HH2 ARG 3 HH21 ARG 3 65.932 23.226 14.843 28 2HH2 ARG 3 HH22 ARG 3 64.216 23.005 14.913 29 H PHE 4 HN PHE 4 71.791 19.595 13.839 30 HA PHE 4 HA PHE 4 72.741 22.146 12.677 31 1HB PHE 4 HB2 PHE 4 73.049 21.833 15.351 32 2HB PHE 4 HB1 PHE 4 74.507 21.019 14.783 33 HD1 PHE 4 HD1 PHE 4 72.547 24.056 13.748 34 HD2 PHE 4 HD2 PHE 4 76.380 22.393 14.743 35 HE1 PHE 4 HE1 PHE 4 73.611 26.256 13.324 36 HE2 PHE 4 HE2 PHE 4 77.444 24.592 14.319 37 HZ PHE 4 HZ PHE 4 76.060 26.524 13.609 38 H HIS 5 HN HIS 5 73.493 18.806 13.638 39 HA HIS 5 HA HIS 5 75.420 18.691 11.353 40 1HB HIS 5 HB2 HIS 5 75.330 17.347 14.029 41 2HB HIS 5 HB1 HIS 5 76.071 16.486 12.680 42 HD1 HIS 5 HD1 HIS 5 78.094 17.144 14.672 43 HD2 HIS 5 HD2 HIS 5 76.894 20.007 11.890 44 HE1 HIS 5 HE1 HIS 5 79.955 18.858 14.560 45 H ALA 6 HN ALA 6 72.517 17.348 12.742 46 HA ALA 6 HA ALA 6 72.489 15.049 10.908 47 1HB ALA 6 HB1 ALA 6 70.292 16.098 12.719 48 2HB ALA 6 HB2 ALA 6 71.510 14.920 13.208 49 3HB ALA 6 HB3 ALA 6 70.347 14.514 11.946 50 H THR 7 HN THR 7 72.723 16.815 9.097 51 HA THR 7 HA THR 7 70.088 17.986 8.382 52 HB THR 7 HB THR 7 72.231 19.344 8.250 53 HG1 THR 7 HG1 THR 7 70.767 18.906 5.861 54 1HG2 THR 7 HG21 THR 7 73.772 18.916 6.458 55 2HG2 THR 7 HG22 THR 7 72.739 17.651 5.794 56 3HG2 THR 7 HG23 THR 7 73.567 17.398 7.331 57 H SER 8 HN SER 8 72.579 15.806 7.051 58 HA SER 8 HA SER 8 70.757 15.068 4.840 59 1HB SER 8 HB2 SER 8 73.638 14.806 5.408 60 2HB SER 8 HB1 SER 8 72.925 13.395 4.630 61 HG SER 8 HG SER 8 72.274 15.949 3.682 62 H ALA 9 HN ALA 9 70.185 14.386 7.705 63 HA ALA 9 HA ALA 9 70.562 11.475 7.843 64 1HB ALA 9 HB1 ALA 9 69.080 11.762 9.917 65 2HB ALA 9 HB2 ALA 9 69.173 13.496 9.611 66 3HB ALA 9 HB3 ALA 9 70.642 12.582 9.952 67 H ASP 10 HN ASP 10 69.068 9.976 7.197 68 HA ASP 10 HA ASP 10 66.290 10.901 6.646 69 1HB ASP 10 HB2 ASP 10 67.670 10.874 4.524 70 2HB ASP 10 HB1 ASP 10 67.864 9.135 4.752 71 H CYS 11 HN CYS 11 66.172 9.700 8.803 72 HA CYS 11 HA CYS 11 66.265 6.746 8.478 73 1HB CYS 11 HB2 CYS 11 66.164 8.606 10.841 74 2HB CYS 11 HB1 CYS 11 65.666 6.924 11.023 75 H CYS 12 HN CYS 12 64.336 5.694 9.860 76 HA CYS 12 HA CYS 12 61.836 6.912 8.770 77 1HB CYS 12 HB2 CYS 12 62.735 4.095 9.247 78 2HB CYS 12 HB1 CYS 12 61.013 4.456 9.357 79 H ILE 13 HN ILE 13 60.260 7.544 10.194 80 HA ILE 13 HA ILE 13 60.803 7.087 13.088 81 HB ILE 13 HB ILE 13 58.993 9.082 11.690 82 1HG1 ILE 13 HG12 ILE 13 60.931 10.390 13.222 83 2HG1 ILE 13 HG11 ILE 13 61.809 9.067 12.453 84 1HG2 ILE 13 HG21 ILE 13 59.412 9.896 14.315 85 2HG2 ILE 13 HG22 ILE 13 59.165 8.155 14.460 86 3HG2 ILE 13 HG23 ILE 13 57.937 9.159 13.689 87 1HD1 ILE 13 HD11 ILE 13 61.923 10.446 10.654 88 2HD1 ILE 13 HD12 ILE 13 60.622 11.476 11.250 89 3HD1 ILE 13 HD13 ILE 13 60.242 9.986 10.387 90 H SER 14 HN SER 14 58.733 6.116 10.542 91 HA SER 14 HA SER 14 57.229 4.385 12.337 92 1HB SER 14 HB2 SER 14 55.070 5.325 12.089 93 2HB SER 14 HB1 SER 14 56.102 6.710 12.438 94 HG SER 14 HG SER 14 56.292 6.683 9.971 95 H TYR 15 HN TYR 15 55.720 2.977 11.056 96 HA TYR 15 HA TYR 15 56.776 2.652 8.285 97 1HB TYR 15 HB2 TYR 15 55.320 0.680 10.074 98 2HB TYR 15 HB1 TYR 15 55.943 0.330 8.461 99 HD1 TYR 15 HD1 TYR 15 58.506 1.850 8.522 100 HD2 TYR 15 HD2 TYR 15 56.673 -0.667 11.482 101 HE1 TYR 15 HE1 TYR 15 60.737 1.358 9.486 102 HE2 TYR 15 HE2 TYR 15 58.904 -1.158 12.446 103 HH TYR 15 HH TYR 15 61.357 0.404 12.290 104 H THR 16 HN THR 16 55.303 2.388 6.544 105 HA THR 16 HA THR 16 52.847 3.870 6.761 106 HB THR 16 HB THR 16 54.037 3.793 4.647 107 HG1 THR 16 HG1 THR 16 52.228 2.701 3.390 108 1HG2 THR 16 HG21 THR 16 54.233 1.004 5.299 109 2HG2 THR 16 HG22 THR 16 55.060 1.895 4.021 110 3HG2 THR 16 HG23 THR 16 53.482 1.171 3.712 111 HA PRO 17 HA PRO 17 50.589 0.293 8.291 112 1HB PRO 17 HB2 PRO 17 48.382 1.744 9.052 113 2HB PRO 17 HB1 PRO 17 49.848 1.603 10.038 114 1HG PRO 17 HG2 PRO 17 48.888 3.919 8.423 115 2HG PRO 17 HG1 PRO 17 49.929 3.905 9.857 116 1HD PRO 17 HD2 PRO 17 50.797 4.216 7.180 117 2HD PRO 17 HD1 PRO 17 51.833 3.872 8.581 118 H ARG 18 HN ARG 18 50.503 -0.172 5.823 119 HA ARG 18 HA ARG 18 47.684 -0.236 5.017 120 1HB ARG 18 HB2 ARG 18 49.753 1.356 3.488 121 2HB ARG 18 HB1 ARG 18 48.270 0.765 2.738 122 1HG ARG 18 HG2 ARG 18 46.994 1.918 4.605 123 2HG ARG 18 HG1 ARG 18 48.516 2.679 5.070 124 1HD ARG 18 HD2 ARG 18 48.249 2.998 2.257 125 2HD ARG 18 HD1 ARG 18 46.705 3.449 2.980 126 HE ARG 18 HE ARG 18 48.918 4.630 4.421 127 1HH1 ARG 18 HH11 ARG 18 46.145 5.686 3.339 128 2HH1 ARG 18 HH12 ARG 18 46.711 7.012 2.378 129 1HH2 ARG 18 HH21 ARG 18 50.021 5.979 2.424 130 2HH2 ARG 18 HH22 ARG 18 48.905 7.177 1.860 131 H SER 19 HN SER 19 47.379 -2.229 4.152 132 HA SER 19 HA SER 19 49.583 -3.998 3.603 133 1HB SER 19 HB2 SER 19 46.782 -4.399 2.556 134 2HB SER 19 HB1 SER 19 47.946 -5.618 3.067 135 HG SER 19 HG SER 19 46.609 -5.417 4.770 136 H ILE 20 HN ILE 20 50.916 -3.166 1.969 137 HA ILE 20 HA ILE 20 49.636 -2.519 -0.635 138 HB ILE 20 HB ILE 20 52.459 -2.076 0.381 139 1HG1 ILE 20 HG12 ILE 20 51.021 0.281 -0.431 140 2HG1 ILE 20 HG11 ILE 20 50.038 -0.626 0.719 141 1HG2 ILE 20 HG21 ILE 20 51.780 -2.452 -2.232 142 2HG2 ILE 20 HG22 ILE 20 53.087 -1.393 -1.704 143 3HG2 ILE 20 HG23 ILE 20 51.499 -0.719 -2.070 144 1HD1 ILE 20 HD11 ILE 20 52.651 -0.735 1.745 145 2HD1 ILE 20 HD12 ILE 20 51.313 0.231 2.366 146 3HD1 ILE 20 HD13 ILE 20 52.437 0.929 1.201 147 HA PRO 21 HA PRO 21 50.978 -6.473 -2.118 148 1HB PRO 21 HB2 PRO 21 50.330 -6.041 -4.754 149 2HB PRO 21 HB1 PRO 21 49.134 -6.421 -3.502 150 1HG PRO 21 HG2 PRO 21 49.697 -3.811 -4.829 151 2HG PRO 21 HG1 PRO 21 48.198 -4.391 -4.084 152 1HD PRO 21 HD2 PRO 21 50.043 -2.582 -2.920 153 2HD PRO 21 HD1 PRO 21 48.717 -3.412 -2.078 154 H CYS 22 HN CYS 22 52.730 -7.332 -3.411 155 HA CYS 22 HA CYS 22 54.991 -5.560 -3.710 156 1HB CYS 22 HB2 CYS 22 54.426 -8.441 -4.169 157 2HB CYS 22 HB1 CYS 22 55.752 -7.750 -5.104 158 H SER 23 HN SER 23 52.363 -6.421 -5.762 159 HA SER 23 HA SER 23 53.662 -6.011 -8.305 160 1HB SER 23 HB2 SER 23 51.084 -5.386 -8.835 161 2HB SER 23 HB1 SER 23 51.656 -7.045 -8.685 162 HG SER 23 HG SER 23 49.845 -5.820 -7.222 163 H LEU 24 HN LEU 24 52.727 -3.876 -5.806 164 HA LEU 24 HA LEU 24 52.703 -1.561 -7.690 165 1HB LEU 24 HB2 LEU 24 51.443 -2.119 -5.065 166 2HB LEU 24 HB1 LEU 24 52.068 -0.483 -5.274 167 HG LEU 24 HG LEU 24 50.732 -0.130 -7.235 168 1HD1 LEU 24 HD11 LEU 24 50.680 -2.017 -8.542 169 2HD1 LEU 24 HD12 LEU 24 49.126 -2.239 -7.739 170 3HD1 LEU 24 HD13 LEU 24 50.550 -3.099 -7.156 171 1HD2 LEU 24 HD21 LEU 24 48.481 -1.370 -6.054 172 2HD2 LEU 24 HD22 LEU 24 49.020 0.295 -5.831 173 3HD2 LEU 24 HD23 LEU 24 49.567 -0.965 -4.725 174 H LEU 25 HN LEU 25 55.116 -3.069 -6.758 175 HA LEU 25 HA LEU 25 56.512 -0.770 -5.447 176 1HB LEU 25 HB2 LEU 25 56.931 -3.744 -5.038 177 2HB LEU 25 HB1 LEU 25 58.051 -2.512 -4.457 178 HG LEU 25 HG LEU 25 55.120 -2.361 -3.778 179 1HD1 LEU 25 HD11 LEU 25 55.278 -3.907 -2.099 180 2HD1 LEU 25 HD12 LEU 25 56.977 -3.548 -1.790 181 3HD1 LEU 25 HD13 LEU 25 56.528 -4.590 -3.140 182 1HD2 LEU 25 HD21 LEU 25 56.383 -1.363 -1.668 183 2HD2 LEU 25 HD22 LEU 25 56.154 -0.386 -3.118 184 3HD2 LEU 25 HD23 LEU 25 57.703 -1.175 -2.822 185 H GLU 26 HN GLU 26 58.551 -0.247 -6.308 186 HA GLU 26 HA GLU 26 59.237 -1.669 -8.848 187 1HB GLU 26 HB2 GLU 26 58.575 0.737 -9.070 188 2HB GLU 26 HB1 GLU 26 59.942 1.168 -8.041 189 1HG GLU 26 HG2 GLU 26 61.438 -0.043 -9.689 190 2HG GLU 26 HG1 GLU 26 60.039 -0.168 -10.756 191 H SER 27 HN SER 27 60.431 -0.537 -5.756 192 HA SER 27 HA SER 27 62.660 -2.342 -5.802 193 1HB SER 27 HB2 SER 27 63.118 0.456 -6.733 194 2HB SER 27 HB1 SER 27 64.325 -0.248 -5.661 195 HG SER 27 HG SER 27 64.262 -0.587 -8.171 196 H TYR 28 HN TYR 28 64.360 -1.305 -3.989 197 HA TYR 28 HA TYR 28 63.038 0.211 -1.895 198 1HB TYR 28 HB2 TYR 28 62.856 -1.567 -0.243 199 2HB TYR 28 HB1 TYR 28 61.932 -2.028 -1.672 200 HD1 TYR 28 HD1 TYR 28 64.535 -2.988 0.584 201 HD2 TYR 28 HD2 TYR 28 63.152 -3.469 -3.454 202 HE1 TYR 28 HE1 TYR 28 65.904 -5.043 0.361 203 HE2 TYR 28 HE2 TYR 28 64.521 -5.524 -3.678 204 HH TYR 28 HH TYR 28 65.515 -7.238 -2.200 205 H PHE 29 HN PHE 29 64.487 0.315 0.081 206 HA PHE 29 HA PHE 29 67.252 -0.617 -0.315 207 1HB PHE 29 HB2 PHE 29 67.960 1.890 0.160 208 2HB PHE 29 HB1 PHE 29 67.635 1.353 -1.488 209 HD1 PHE 29 HD1 PHE 29 65.370 1.777 -2.509 210 HD2 PHE 29 HD2 PHE 29 66.574 3.512 1.231 211 HE1 PHE 29 HE1 PHE 29 63.545 3.446 -2.696 212 HE2 PHE 29 HE2 PHE 29 64.749 5.181 1.044 213 HZ PHE 29 HZ PHE 29 63.234 5.148 -0.919 214 H GLU 30 HN GLU 30 68.624 0.274 1.628 215 HA GLU 30 HA GLU 30 66.937 -0.061 4.056 216 1HB GLU 30 HB2 GLU 30 69.876 -0.434 3.480 217 2HB GLU 30 HB1 GLU 30 69.280 -0.317 5.136 218 1HG GLU 30 HG2 GLU 30 67.544 -2.126 4.332 219 2HG GLU 30 HG1 GLU 30 68.746 -2.437 3.079 220 H THR 31 HN THR 31 66.925 1.501 5.693 221 HA THR 31 HA THR 31 67.613 4.212 4.889 222 HB THR 31 HB THR 31 66.949 4.628 7.391 223 HG1 THR 31 HG1 THR 31 66.604 2.860 8.434 224 1HG2 THR 31 HG21 THR 31 65.013 3.493 5.355 225 2HG2 THR 31 HG22 THR 31 65.514 5.178 5.488 226 3HG2 THR 31 HG23 THR 31 64.552 4.440 6.769 227 H ASN 32 HN ASN 32 68.767 5.545 6.824 228 HA ASN 32 HA ASN 32 71.507 4.723 6.804 229 1HB ASN 32 HB2 ASN 32 69.924 6.917 7.955 230 2HB ASN 32 HB1 ASN 32 71.322 6.470 8.934 231 1HD2 ASN 32 HD21 ASN 32 70.356 7.571 5.678 232 2HD2 ASN 32 HD22 ASN 32 71.896 8.130 5.232 233 H SER 33 HN SER 33 71.777 2.658 7.699 234 HA SER 33 HA SER 33 70.586 1.554 9.962 235 1HB SER 33 HB2 SER 33 71.980 0.002 9.012 236 2HB SER 33 HB1 SER 33 73.202 1.202 8.598 237 HG SER 33 HG SER 33 73.978 -0.091 10.255 238 H GLU 34 HN GLU 34 72.916 4.135 9.806 239 HA GLU 34 HA GLU 34 74.150 4.109 12.290 240 1HB GLU 34 HB2 GLU 34 72.898 6.476 10.866 241 2HB GLU 34 HB1 GLU 34 74.014 6.613 12.226 242 1HG GLU 34 HG2 GLU 34 75.826 5.808 10.995 243 2HG GLU 34 HG1 GLU 34 74.794 4.971 9.835 244 H CYS 35 HN CYS 35 70.761 4.678 11.591 245 HA CYS 35 HA CYS 35 70.089 5.736 14.202 246 1HB CYS 35 HB2 CYS 35 68.556 4.659 11.862 247 2HB CYS 35 HB1 CYS 35 67.730 4.827 13.411 248 H SER 36 HN SER 36 69.351 4.622 16.021 249 HA SER 36 HA SER 36 70.269 1.960 16.445 250 1HB SER 36 HB2 SER 36 69.037 3.997 17.989 251 2HB SER 36 HB1 SER 36 68.051 2.551 18.181 252 HG SER 36 HG SER 36 70.879 2.639 18.441 253 H LYS 37 HN LYS 37 67.173 3.221 15.324 254 HA LYS 37 HA LYS 37 66.288 0.392 14.915 255 1HB LYS 37 HB2 LYS 37 64.741 2.809 15.841 256 2HB LYS 37 HB1 LYS 37 63.923 1.453 15.063 257 1HG LYS 37 HG2 LYS 37 65.811 1.016 17.374 258 2HG LYS 37 HG1 LYS 37 64.113 1.412 17.644 259 1HD LYS 37 HD2 LYS 37 63.367 -0.552 16.528 260 2HD LYS 37 HD1 LYS 37 64.958 -0.847 15.824 261 1HE LYS 37 HE2 LYS 37 65.637 -0.869 18.430 262 2HE LYS 37 HE1 LYS 37 63.967 -1.417 18.572 263 1HZ LYS 37 HZ1 LYS 37 64.742 -2.921 16.560 264 2HZ LYS 37 HZ2 LYS 37 64.960 -3.395 18.177 265 3HZ LYS 37 HZ3 LYS 37 66.251 -2.717 17.306 266 HA PRO 38 HA PRO 38 66.463 2.432 10.824 267 1HB PRO 38 HB2 PRO 38 67.572 0.253 9.569 268 2HB PRO 38 HB1 PRO 38 68.527 1.506 10.380 269 1HG PRO 38 HG2 PRO 38 67.923 -1.272 11.283 270 2HG PRO 38 HG1 PRO 38 69.304 -0.237 11.682 271 1HD PRO 38 HD2 PRO 38 67.064 -0.726 13.343 272 2HD PRO 38 HD1 PRO 38 68.280 0.548 13.577 273 H GLY 39 HN GLY 39 65.846 0.979 8.612 274 1HA GLY 39 HA2 GLY 39 63.857 -1.035 8.999 275 2HA GLY 39 HA1 GLY 39 63.105 0.531 8.713 276 H VAL 40 HN VAL 40 62.454 -1.072 6.776 277 HA VAL 40 HA VAL 40 64.492 -0.788 4.612 278 HB VAL 40 HB VAL 40 61.978 -2.466 4.506 279 1HG1 VAL 40 HG11 VAL 40 63.621 -3.750 2.933 280 2HG1 VAL 40 HG12 VAL 40 64.537 -2.243 2.935 281 3HG1 VAL 40 HG13 VAL 40 62.875 -2.264 2.346 282 1HG2 VAL 40 HG21 VAL 40 64.645 -3.012 5.778 283 2HG2 VAL 40 HG22 VAL 40 63.781 -4.332 4.990 284 3HG2 VAL 40 HG23 VAL 40 63.034 -3.466 6.332 285 H ILE 41 HN ILE 41 63.976 0.370 2.754 286 HA ILE 41 HA ILE 41 61.399 1.877 2.861 287 HB ILE 41 HB ILE 41 63.862 2.568 1.241 288 1HG1 ILE 41 HG12 ILE 41 64.462 2.532 3.621 289 2HG1 ILE 41 HG11 ILE 41 64.352 4.200 3.057 290 1HG2 ILE 41 HG21 ILE 41 61.324 4.006 2.031 291 2HG2 ILE 41 HG22 ILE 41 61.947 3.710 0.408 292 3HG2 ILE 41 HG23 ILE 41 62.750 4.873 1.464 293 1HD1 ILE 41 HD11 ILE 41 61.828 3.940 3.843 294 2HD1 ILE 41 HD12 ILE 41 63.097 4.350 4.998 295 3HD1 ILE 41 HD13 ILE 41 62.519 2.688 4.877 296 H PHE 42 HN PHE 42 59.892 1.315 1.369 297 HA PHE 42 HA PHE 42 60.818 -0.196 -1.038 298 1HB PHE 42 HB2 PHE 42 58.377 -0.349 0.679 299 2HB PHE 42 HB1 PHE 42 58.195 -0.706 -1.039 300 HD1 PHE 42 HD1 PHE 42 59.363 -2.601 -2.071 301 HD2 PHE 42 HD2 PHE 42 59.727 -1.772 2.128 302 HE1 PHE 42 HE1 PHE 42 60.332 -4.856 -1.709 303 HE2 PHE 42 HE2 PHE 42 60.696 -4.026 2.489 304 HZ PHE 42 HZ PHE 42 60.998 -5.568 0.571 305 H LEU 43 HN LEU 43 60.542 0.770 -2.994 306 HA LEU 43 HA LEU 43 59.006 3.319 -3.069 307 1HB LEU 43 HB2 LEU 43 61.433 3.170 -3.870 308 2HB LEU 43 HB1 LEU 43 60.822 2.220 -5.225 309 HG LEU 43 HG LEU 43 59.144 4.504 -4.978 310 1HD1 LEU 43 HD11 LEU 43 61.445 5.211 -3.776 311 2HD1 LEU 43 HD12 LEU 43 60.524 6.334 -4.778 312 3HD1 LEU 43 HD13 LEU 43 61.917 5.488 -5.453 313 1HD2 LEU 43 HD21 LEU 43 59.357 4.251 -7.207 314 2HD2 LEU 43 HD22 LEU 43 60.615 3.046 -6.931 315 3HD2 LEU 43 HD23 LEU 43 61.047 4.746 -7.118 316 H THR 44 HN THR 44 57.320 3.610 -4.569 317 HA THR 44 HA THR 44 56.287 1.081 -5.770 318 HB THR 44 HB THR 44 54.103 2.068 -5.685 319 HG1 THR 44 HG1 THR 44 54.087 4.335 -4.791 320 1HG2 THR 44 HG21 THR 44 54.771 3.263 -3.151 321 2HG2 THR 44 HG22 THR 44 55.734 1.805 -3.388 322 3HG2 THR 44 HG23 THR 44 53.974 1.722 -3.469 323 H LYS 45 HN LYS 45 54.847 1.698 -7.833 324 HA LYS 45 HA LYS 45 56.726 2.813 -9.768 325 1HB LYS 45 HB2 LYS 45 55.138 0.874 -10.207 326 2HB LYS 45 HB1 LYS 45 53.832 2.060 -10.247 327 1HG LYS 45 HG2 LYS 45 55.028 3.284 -12.050 328 2HG LYS 45 HG1 LYS 45 56.279 2.041 -12.040 329 1HD LYS 45 HD2 LYS 45 54.821 1.387 -13.789 330 2HD LYS 45 HD1 LYS 45 54.356 0.364 -12.430 331 1HE LYS 45 HE2 LYS 45 52.348 1.439 -12.127 332 2HE LYS 45 HE1 LYS 45 52.983 2.996 -12.659 333 1HZ LYS 45 HZ1 LYS 45 52.059 0.722 -14.293 334 2HZ LYS 45 HZ2 LYS 45 53.134 1.868 -14.937 335 3HZ LYS 45 HZ3 LYS 45 51.602 2.353 -14.384 336 H LYS 46 HN LYS 46 54.788 4.311 -7.604 337 HA LYS 46 HA LYS 46 54.015 6.494 -9.488 338 1HB LYS 46 HB2 LYS 46 53.045 5.862 -6.683 339 2HB LYS 46 HB1 LYS 46 52.525 7.254 -7.634 340 1HG LYS 46 HG2 LYS 46 52.120 5.226 -9.419 341 2HG LYS 46 HG1 LYS 46 51.772 4.409 -7.895 342 1HD LYS 46 HD2 LYS 46 49.837 5.540 -7.619 343 2HD LYS 46 HD1 LYS 46 50.600 7.083 -8.007 344 1HE LYS 46 HE2 LYS 46 50.551 5.721 -10.442 345 2HE LYS 46 HE1 LYS 46 48.993 5.343 -9.707 346 1HZ LYS 46 HZ1 LYS 46 49.407 7.550 -11.076 347 2HZ LYS 46 HZ2 LYS 46 49.903 8.110 -9.551 348 3HZ LYS 46 HZ3 LYS 46 48.335 7.492 -9.763 349 H GLY 47 HN GLY 47 56.735 6.020 -8.416 350 1HA GLY 47 HA2 GLY 47 58.480 7.239 -7.448 351 2HA GLY 47 HA1 GLY 47 57.501 8.654 -7.824 352 H ARG 48 HN ARG 48 56.288 6.137 -5.734 353 HA ARG 48 HA ARG 48 56.458 8.061 -3.453 354 1HB ARG 48 HB2 ARG 48 54.376 6.174 -4.398 355 2HB ARG 48 HB1 ARG 48 54.614 6.230 -2.652 356 1HG ARG 48 HG2 ARG 48 54.126 8.546 -2.544 357 2HG ARG 48 HG1 ARG 48 54.329 8.752 -4.285 358 1HD ARG 48 HD2 ARG 48 52.349 6.808 -4.083 359 2HD ARG 48 HD1 ARG 48 51.962 7.933 -2.781 360 HE ARG 48 HE ARG 48 52.520 9.150 -5.411 361 1HH1 ARG 48 HH11 ARG 48 50.947 10.402 -3.135 362 2HH1 ARG 48 HH12 ARG 48 49.326 10.275 -3.731 363 1HH2 ARG 48 HH21 ARG 48 50.124 7.946 -6.173 364 2HH2 ARG 48 HH22 ARG 48 48.860 8.885 -5.451 365 H ARG 49 HN ARG 49 57.320 7.338 -1.497 366 HA ARG 49 HA ARG 49 58.208 4.495 -1.364 367 1HB ARG 49 HB2 ARG 49 60.360 5.433 -0.288 368 2HB ARG 49 HB1 ARG 49 60.213 5.569 -2.041 369 1HG ARG 49 HG2 ARG 49 59.605 7.873 -1.911 370 2HG ARG 49 HG1 ARG 49 59.337 7.777 -0.170 371 1HD ARG 49 HD2 ARG 49 61.460 8.805 -0.373 372 2HD ARG 49 HD1 ARG 49 61.828 7.118 -0.011 373 HE ARG 49 HE ARG 49 61.689 7.610 -2.870 374 1HH1 ARG 49 HH11 ARG 49 63.608 9.547 -1.268 375 2HH1 ARG 49 HH12 ARG 49 65.115 8.746 -1.564 376 1HH2 ARG 49 HH21 ARG 49 63.641 5.831 -2.727 377 2HH2 ARG 49 HH22 ARG 49 65.134 6.642 -2.390 378 H PHE 50 HN PHE 50 57.936 3.610 0.665 379 HA PHE 50 HA PHE 50 57.418 5.474 2.934 380 1HB PHE 50 HB2 PHE 50 55.612 3.699 3.604 381 2HB PHE 50 HB1 PHE 50 55.205 4.923 2.401 382 HD1 PHE 50 HD1 PHE 50 54.479 4.283 0.260 383 HD2 PHE 50 HD2 PHE 50 56.568 1.452 2.725 384 HE1 PHE 50 HE1 PHE 50 54.024 2.499 -1.402 385 HE2 PHE 50 HE2 PHE 50 56.113 -0.331 1.062 386 HZ PHE 50 HZ PHE 50 54.841 0.192 -1.001 387 H CYS 51 HN CYS 51 57.768 4.455 5.043 388 HA CYS 51 HA CYS 51 60.025 2.665 5.049 389 1HB CYS 51 HB2 CYS 51 58.190 3.442 7.335 390 2HB CYS 51 HB1 CYS 51 59.809 2.766 7.478 391 H ALA 52 HN ALA 52 60.083 0.456 5.518 392 HA ALA 52 HA ALA 52 57.439 -0.898 5.864 393 1HB ALA 52 HB1 ALA 52 58.348 -1.105 3.518 394 2HB ALA 52 HB2 ALA 52 58.128 -2.649 4.341 395 3HB ALA 52 HB3 ALA 52 59.740 -1.950 4.194 396 H ASN 53 HN ASN 53 57.654 -3.067 6.891 397 HA ASN 53 HA ASN 53 59.719 -2.979 8.990 398 1HB ASN 53 HB2 ASN 53 57.268 -3.548 9.410 399 2HB ASN 53 HB1 ASN 53 57.582 -5.086 8.606 400 1HD2 ASN 53 HD21 ASN 53 57.839 -3.413 11.609 401 2HD2 ASN 53 HD22 ASN 53 58.756 -4.579 12.433 402 HA PRO 54 HA PRO 54 62.292 -5.846 6.821 403 1HB PRO 54 HB2 PRO 54 63.982 -6.409 8.919 404 2HB PRO 54 HB1 PRO 54 64.070 -4.921 7.960 405 1HG PRO 54 HG2 PRO 54 63.008 -5.315 10.721 406 2HG PRO 54 HG1 PRO 54 63.712 -3.866 9.986 407 1HD PRO 54 HD2 PRO 54 60.956 -4.333 10.375 408 2HD PRO 54 HD1 PRO 54 61.658 -3.090 9.317 409 H SER 55 HN SER 55 60.371 -6.576 9.578 410 HA SER 55 HA SER 55 61.003 -9.474 9.431 411 1HB SER 55 HB2 SER 55 59.589 -7.709 11.396 412 2HB SER 55 HB1 SER 55 59.160 -9.417 11.339 413 HG SER 55 HG SER 55 61.158 -9.952 11.954 414 H ASP 56 HN ASP 56 59.096 -7.388 7.769 415 HA ASP 56 HA ASP 56 56.556 -8.783 7.800 416 1HB ASP 56 HB2 ASP 56 56.662 -6.459 7.075 417 2HB ASP 56 HB1 ASP 56 57.778 -6.883 5.777 418 H LYS 57 HN LYS 57 56.357 -10.835 7.054 419 HA LYS 57 HA LYS 57 58.207 -12.293 5.555 420 1HB LYS 57 HB2 LYS 57 55.207 -12.499 5.789 421 2HB LYS 57 HB1 LYS 57 56.117 -13.619 4.774 422 1HG LYS 57 HG2 LYS 57 57.337 -14.476 6.612 423 2HG LYS 57 HG1 LYS 57 56.904 -13.111 7.643 424 1HD LYS 57 HD2 LYS 57 55.360 -14.596 8.454 425 2HD LYS 57 HD1 LYS 57 54.431 -14.035 7.064 426 1HE LYS 57 HE2 LYS 57 54.356 -16.397 6.898 427 2HE LYS 57 HE1 LYS 57 55.607 -15.920 5.750 428 1HZ LYS 57 HZ1 LYS 57 55.926 -17.093 8.441 429 2HZ LYS 57 HZ2 LYS 57 57.193 -16.235 7.702 430 3HZ LYS 57 HZ3 LYS 57 56.567 -17.633 6.967 431 H GLN 58 HN GLN 58 55.615 -10.176 4.374 432 HA GLN 58 HA GLN 58 55.965 -10.824 1.591 433 1HB GLN 58 HB2 GLN 58 54.281 -9.141 3.127 434 2HB GLN 58 HB1 GLN 58 55.095 -8.099 1.959 435 1HG GLN 58 HG2 GLN 58 52.959 -9.100 1.092 436 2HG GLN 58 HG1 GLN 58 54.374 -9.499 0.116 437 1HE2 GLN 58 HE21 GLN 58 53.780 -11.586 -0.634 438 2HE2 GLN 58 HE22 GLN 58 53.448 -12.893 0.397 439 H VAL 59 HN VAL 59 57.666 -8.726 3.802 440 HA VAL 59 HA VAL 59 58.980 -7.177 1.703 441 HB VAL 59 HB VAL 59 59.456 -7.478 4.676 442 1HG1 VAL 59 HG11 VAL 59 61.018 -5.475 4.286 443 2HG1 VAL 59 HG12 VAL 59 61.013 -5.946 2.587 444 3HG1 VAL 59 HG13 VAL 59 61.632 -7.058 3.808 445 1HG2 VAL 59 HG21 VAL 59 58.744 -4.975 3.160 446 2HG2 VAL 59 HG22 VAL 59 58.441 -5.367 4.852 447 3HG2 VAL 59 HG23 VAL 59 57.490 -6.140 3.585 448 H GLN 60 HN GLN 60 59.926 -9.854 3.868 449 HA GLN 60 HA GLN 60 62.569 -10.104 2.705 450 1HB GLN 60 HB2 GLN 60 62.774 -12.093 4.044 451 2HB GLN 60 HB1 GLN 60 61.877 -10.920 5.009 452 1HG GLN 60 HG2 GLN 60 59.749 -11.991 4.099 453 2HG GLN 60 HG1 GLN 60 60.775 -13.285 3.479 454 1HE2 GLN 60 HE21 GLN 60 59.367 -14.574 5.126 455 2HE2 GLN 60 HE22 GLN 60 59.936 -14.647 6.724 456 H VAL 61 HN VAL 61 59.399 -11.430 1.993 457 HA VAL 61 HA VAL 61 60.386 -13.515 0.221 458 HB VAL 61 HB VAL 61 57.661 -12.250 0.608 459 1HG1 VAL 61 HG11 VAL 61 57.091 -13.094 -1.403 460 2HG1 VAL 61 HG12 VAL 61 57.389 -14.701 -0.738 461 3HG1 VAL 61 HG13 VAL 61 58.674 -13.848 -1.594 462 1HG2 VAL 61 HG21 VAL 61 59.066 -14.108 2.111 463 2HG2 VAL 61 HG22 VAL 61 58.057 -15.121 1.079 464 3HG2 VAL 61 HG23 VAL 61 57.314 -13.906 2.120 465 H CYS 62 HN CYS 62 59.469 -10.139 -0.112 466 HA CYS 62 HA CYS 62 59.502 -10.249 -3.046 467 1HB CYS 62 HB2 CYS 62 58.422 -8.503 -1.149 468 2HB CYS 62 HB1 CYS 62 59.735 -7.586 -1.886 469 H MET 63 HN MET 63 61.592 -8.950 -0.460 470 HA MET 63 HA MET 63 63.567 -7.751 -2.069 471 1HB MET 63 HB2 MET 63 65.049 -7.960 -0.194 472 2HB MET 63 HB1 MET 63 63.430 -7.747 0.474 473 1HG MET 63 HG2 MET 63 63.213 -10.127 0.869 474 2HG MET 63 HG1 MET 63 64.731 -10.448 0.031 475 1HE MET 63 HE1 MET 63 65.984 -11.639 1.601 476 2HE MET 63 HE2 MET 63 67.008 -10.825 2.781 477 3HE MET 63 HE3 MET 63 67.058 -10.329 1.091 478 H ARG 64 HN ARG 64 62.945 -11.143 -1.428 479 HA ARG 64 HA ARG 64 65.457 -12.174 -2.350 480 1HB ARG 64 HB2 ARG 64 63.481 -13.371 -1.114 481 2HB ARG 64 HB1 ARG 64 62.863 -13.646 -2.744 482 1HG ARG 64 HG2 ARG 64 65.676 -14.251 -2.683 483 2HG ARG 64 HG1 ARG 64 64.863 -15.128 -1.387 484 1HD ARG 64 HD2 ARG 64 63.110 -15.772 -3.159 485 2HD ARG 64 HD1 ARG 64 64.287 -15.218 -4.349 486 HE ARG 64 HE ARG 64 65.609 -17.016 -2.590 487 1HH1 ARG 64 HH11 ARG 64 62.649 -17.327 -4.212 488 2HH1 ARG 64 HH12 ARG 64 63.077 -18.782 -5.049 489 1HH2 ARG 64 HH21 ARG 64 66.379 -18.734 -3.990 490 2HH2 ARG 64 HH22 ARG 64 65.189 -19.579 -4.923 491 H MET 65 HN MET 65 62.426 -11.376 -4.022 492 HA MET 65 HA MET 65 63.459 -12.309 -6.601 493 1HB MET 65 HB2 MET 65 61.062 -12.447 -6.189 494 2HB MET 65 HB1 MET 65 60.986 -10.715 -5.864 495 1HG MET 65 HG2 MET 65 61.983 -10.441 -8.245 496 2HG MET 65 HG1 MET 65 61.479 -12.114 -8.488 497 1HE MET 65 HE1 MET 65 58.242 -12.055 -9.623 498 2HE MET 65 HE2 MET 65 59.932 -12.551 -9.654 499 3HE MET 65 HE3 MET 65 59.420 -11.136 -10.569 500 H LEU 66 HN LEU 66 62.827 -9.161 -5.050 501 HA LEU 66 HA LEU 66 63.736 -7.606 -7.306 502 1HB LEU 66 HB2 LEU 66 63.443 -6.943 -4.363 503 2HB LEU 66 HB1 LEU 66 63.896 -5.756 -5.587 504 HG LEU 66 HG LEU 66 61.400 -7.450 -5.809 505 1HD1 LEU 66 HD11 LEU 66 61.868 -4.802 -4.442 506 2HD1 LEU 66 HD12 LEU 66 60.986 -6.207 -3.844 507 3HD1 LEU 66 HD13 LEU 66 60.292 -5.208 -5.120 508 1HD2 LEU 66 HD21 LEU 66 60.875 -6.117 -7.629 509 2HD2 LEU 66 HD22 LEU 66 62.635 -6.089 -7.745 510 3HD2 LEU 66 HD23 LEU 66 61.777 -4.735 -7.008 511 H LYS 67 HN LYS 67 65.338 -9.199 -4.643 512 HA LYS 67 HA LYS 67 67.802 -7.733 -4.710 513 1HB LYS 67 HB2 LYS 67 67.310 -9.197 -2.838 514 2HB LYS 67 HB1 LYS 67 67.207 -10.596 -3.908 515 1HG LYS 67 HG2 LYS 67 69.600 -10.224 -4.543 516 2HG LYS 67 HG1 LYS 67 69.679 -8.934 -3.342 517 1HD LYS 67 HD2 LYS 67 70.058 -10.446 -1.724 518 2HD LYS 67 HD1 LYS 67 68.529 -11.242 -2.100 519 1HE LYS 67 HE2 LYS 67 70.682 -11.795 -4.034 520 2HE LYS 67 HE1 LYS 67 70.997 -12.402 -2.409 521 1HZ LYS 67 HZ1 LYS 67 68.598 -12.943 -4.072 522 2HZ LYS 67 HZ2 LYS 67 68.775 -13.432 -2.454 523 3HZ LYS 67 HZ3 LYS 67 69.811 -14.051 -3.651 524 H LEU 68 HN LEU 68 66.396 -9.940 -6.923 525 HA LEU 68 HA LEU 68 68.884 -10.945 -8.053 526 1HB LEU 68 HB2 LEU 68 65.983 -11.095 -8.727 527 2HB LEU 68 HB1 LEU 68 67.127 -11.348 -10.045 528 HG LEU 68 HG LEU 68 68.060 -12.790 -7.753 529 1HD1 LEU 68 HD11 LEU 68 66.098 -14.426 -7.682 530 2HD1 LEU 68 HD12 LEU 68 65.142 -13.165 -8.462 531 3HD1 LEU 68 HD13 LEU 68 65.841 -12.884 -6.867 532 1HD2 LEU 68 HD21 LEU 68 68.593 -14.178 -9.449 533 2HD2 LEU 68 HD22 LEU 68 67.751 -13.086 -10.548 534 3HD2 LEU 68 HD23 LEU 68 66.889 -14.441 -9.818 535 H ASP 69 HN ASP 69 70.048 -8.927 -8.388 536 HA ASP 69 HA ASP 69 68.923 -7.006 -10.321 537 1HB ASP 69 HB2 ASP 69 70.443 -6.500 -8.239 538 2HB ASP 69 HB1 ASP 69 71.760 -6.934 -9.329 539 H THR 70 HN THR 70 68.848 -8.852 -11.974 540 HA THR 70 HA THR 70 71.429 -8.863 -13.471 541 HB THR 70 HB THR 70 69.773 -11.302 -13.719 542 HG1 THR 70 HG1 THR 70 69.705 -10.844 -11.462 543 1HG2 THR 70 HG21 THR 70 72.576 -10.427 -13.892 544 2HG2 THR 70 HG22 THR 70 71.740 -11.708 -14.770 545 3HG2 THR 70 HG23 THR 70 72.365 -12.013 -13.149 546 H ARG 71 HN ARG 71 70.463 -7.217 -14.822 547 HA ARG 71 HA ARG 71 69.405 -6.606 -16.835 548 1HB ARG 71 HB2 ARG 71 69.825 -9.247 -17.194 549 2HB ARG 71 HB1 ARG 71 68.062 -9.242 -17.152 550 1HG ARG 71 HG2 ARG 71 68.520 -8.876 -19.425 551 2HG ARG 71 HG1 ARG 71 68.268 -7.241 -18.813 552 1HD ARG 71 HD2 ARG 71 70.461 -6.663 -19.074 553 2HD ARG 71 HD1 ARG 71 71.041 -8.261 -18.603 554 HE ARG 71 HE ARG 71 70.952 -8.921 -20.881 555 1HH1 ARG 71 HH21 ARG 71 70.790 -5.624 -20.674 556 2HH1 ARG 71 HH22 ARG 71 69.981 -5.368 -22.184 557 1HH2 ARG 71 HH11 ARG 71 69.292 -8.729 -22.689 558 2HH2 ARG 71 HH12 ARG 71 69.134 -7.125 -23.325 559 H ILE 72 HN ILE 72 68.144 -5.550 -14.883 560 HA ILE 72 HA ILE 72 65.283 -6.393 -15.122 561 HB ILE 72 HB ILE 72 66.502 -5.001 -12.727 562 1HG1 ILE 72 HG12 ILE 72 67.549 -7.238 -13.093 563 2HG1 ILE 72 HG11 ILE 72 66.560 -7.191 -11.633 564 1HG2 ILE 72 HG21 ILE 72 64.158 -4.705 -12.725 565 2HG2 ILE 72 HG22 ILE 72 64.401 -6.119 -11.700 566 3HG2 ILE 72 HG23 ILE 72 63.866 -6.320 -13.368 567 1HD1 ILE 72 HD11 ILE 72 66.281 -9.204 -13.278 568 2HD1 ILE 72 HD12 ILE 72 65.348 -8.062 -14.245 569 3HD1 ILE 72 HD13 ILE 72 64.838 -8.450 -12.602 570 H LYS 73 HN LYS 73 65.417 -4.836 -17.010 571 HA LYS 73 HA LYS 73 64.769 -2.104 -16.034 572 1HB LYS 73 HB2 LYS 73 67.215 -2.693 -17.241 573 2HB LYS 73 HB1 LYS 73 66.239 -2.035 -18.555 574 1HG LYS 73 HG2 LYS 73 65.945 0.021 -17.487 575 2HG LYS 73 HG1 LYS 73 66.256 -0.653 -15.887 576 1HD LYS 73 HD2 LYS 73 68.645 -1.120 -16.766 577 2HD LYS 73 HD1 LYS 73 68.240 0.008 -18.061 578 1HE LYS 73 HE2 LYS 73 68.299 1.817 -16.677 579 2HE LYS 73 HE1 LYS 73 67.560 0.939 -15.339 580 1HZ LYS 73 HZ1 LYS 73 69.741 1.348 -14.663 581 2HZ LYS 73 HZ2 LYS 73 70.394 0.954 -16.181 582 3HZ LYS 73 HZ3 LYS 73 69.767 -0.267 -15.180 583 H THR 74 HN THR 74 62.825 -3.859 -16.728 584 HA THR 74 HA THR 74 61.986 -2.878 -19.423 585 HB THR 74 HB THR 74 62.645 -5.279 -19.526 586 HG1 THR 74 HG1 THR 74 59.846 -4.856 -19.684 587 1HG2 THR 74 HG21 THR 74 62.188 -6.564 -17.738 588 2HG2 THR 74 HG22 THR 74 60.488 -6.510 -18.205 589 3HG2 THR 74 HG23 THR 74 61.127 -5.327 -17.063 590 H ARG 75 HN ARG 75 61.124 -1.308 -17.554 591 HA ARG 75 HA ARG 75 58.268 -1.823 -17.373 592 1HB ARG 75 HB2 ARG 75 59.820 -2.841 -15.278 593 2HB ARG 75 HB1 ARG 75 59.182 -1.319 -14.655 594 1HG ARG 75 HG2 ARG 75 56.951 -2.278 -15.835 595 2HG ARG 75 HG1 ARG 75 57.740 -3.802 -15.424 596 1HD ARG 75 HD2 ARG 75 56.831 -3.516 -13.367 597 2HD ARG 75 HD1 ARG 75 58.096 -2.309 -13.128 598 HE ARG 75 HE ARG 75 55.397 -1.663 -13.104 599 1HH1 ARG 75 HH11 ARG 75 57.726 0.313 -12.971 600 2HH1 ARG 75 HH12 ARG 75 57.344 1.363 -14.294 601 1HH2 ARG 75 HH21 ARG 75 55.065 -0.827 -15.720 602 2HH2 ARG 75 HH22 ARG 75 55.838 0.718 -15.851 603 H LYS 76 HN LYS 76 58.741 0.236 -18.635 604 HA LYS 76 HA LYS 76 58.294 2.527 -16.892 605 1HB LYS 76 HB2 LYS 76 60.847 2.146 -16.954 606 2HB LYS 76 HB1 LYS 76 60.755 2.672 -18.635 607 1HG LYS 76 HG2 LYS 76 59.781 4.799 -17.969 608 2HG LYS 76 HG1 LYS 76 59.700 4.274 -16.287 609 1HD LYS 76 HD2 LYS 76 61.983 4.476 -15.967 610 2HD LYS 76 HD1 LYS 76 62.353 4.187 -17.667 611 1HE LYS 76 HE2 LYS 76 62.777 6.527 -17.179 612 2HE LYS 76 HE1 LYS 76 61.348 6.420 -18.207 613 1HZ LYS 76 HZ1 LYS 76 61.561 7.149 -15.387 614 2HZ LYS 76 HZ2 LYS 76 60.179 6.285 -15.865 615 3HZ LYS 76 HZ3 LYS 76 60.548 7.775 -16.594 616 H ASN 77 HN ASN 77 59.082 1.353 -20.152 617 HA ASN 77 HA ASN 77 56.908 3.062 -21.212 618 1HB ASN 77 HB2 ASN 77 59.690 3.693 -21.517 619 2HB ASN 77 HB1 ASN 77 59.044 3.225 -23.090 620 1HD2 ASN 77 HD21 ASN 77 57.502 4.631 -24.095 621 2HD2 ASN 77 HD22 ASN 77 57.047 6.124 -23.428 Start of MODEL 5 1 1H MET 1 HT1 MET 1 64.235 25.679 -5.734 2 2H MET 1 HT2 MET 1 65.443 26.873 -5.717 3 3H MET 1 HT3 MET 1 64.710 26.382 -4.266 4 HA MET 1 HA MET 1 66.553 25.125 -4.068 5 1HB MET 1 HB2 MET 1 66.143 22.876 -4.837 6 2HB MET 1 HB1 MET 1 64.577 23.591 -4.456 7 1HG MET 1 HG2 MET 1 64.507 24.277 -6.951 8 2HG MET 1 HG1 MET 1 65.805 23.102 -7.167 9 1HE MET 1 HE1 MET 1 64.558 19.812 -6.913 10 2HE MET 1 HE2 MET 1 64.987 20.418 -5.315 11 3HE MET 1 HE3 MET 1 65.882 20.971 -6.729 12 H ASP 2 HN ASP 2 68.541 24.340 -5.001 13 HA ASP 2 HA ASP 2 69.114 25.571 -7.650 14 1HB ASP 2 HB2 ASP 2 70.651 25.095 -5.186 15 2HB ASP 2 HB1 ASP 2 71.528 24.685 -6.660 16 H ARG 3 HN ARG 3 69.365 24.267 -9.400 17 HA ARG 3 HA ARG 3 69.141 21.379 -9.114 18 1HB ARG 3 HB2 ARG 3 68.417 23.034 -11.088 19 2HB ARG 3 HB1 ARG 3 70.019 22.608 -11.690 20 1HG ARG 3 HG2 ARG 3 69.376 20.506 -12.228 21 2HG ARG 3 HG1 ARG 3 68.517 20.293 -10.702 22 1HD ARG 3 HD2 ARG 3 67.485 21.798 -13.124 23 2HD ARG 3 HD1 ARG 3 66.937 20.212 -12.581 24 HE ARG 3 HE ARG 3 66.665 22.113 -10.447 25 1HH1 ARG 3 HH11 ARG 3 65.265 20.796 -13.297 26 2HH1 ARG 3 HH12 ARG 3 63.716 21.526 -13.039 27 1HH2 ARG 3 HH21 ARG 3 64.696 23.228 -10.182 28 2HH2 ARG 3 HH22 ARG 3 63.394 22.902 -11.276 29 H PHE 4 HN PHE 4 70.999 20.675 -7.984 30 HA PHE 4 HA PHE 4 73.675 21.471 -8.600 31 1HB PHE 4 HB2 PHE 4 72.375 19.313 -7.043 32 2HB PHE 4 HB1 PHE 4 74.002 18.951 -7.619 33 HD1 PHE 4 HD1 PHE 4 72.021 20.804 -5.232 34 HD2 PHE 4 HD2 PHE 4 75.874 20.602 -7.121 35 HE1 PHE 4 HE1 PHE 4 72.974 22.230 -3.441 36 HE2 PHE 4 HE2 PHE 4 76.827 22.028 -5.330 37 HZ PHE 4 HZ PHE 4 75.377 22.842 -3.490 38 H HIS 5 HN HIS 5 75.322 19.726 -9.420 39 HA HIS 5 HA HIS 5 74.268 18.735 -12.020 40 1HB HIS 5 HB2 HIS 5 77.131 19.052 -11.064 41 2HB HIS 5 HB1 HIS 5 76.628 18.612 -12.696 42 HD1 HIS 5 HD1 HIS 5 76.205 21.483 -10.224 43 HD2 HIS 5 HD2 HIS 5 76.139 20.793 -14.335 44 HE1 HIS 5 HE1 HIS 5 75.974 23.751 -11.327 45 H ALA 6 HN ALA 6 73.643 17.271 -9.622 46 HA ALA 6 HA ALA 6 75.440 14.905 -9.773 47 1HB ALA 6 HB1 ALA 6 74.803 15.863 -7.533 48 2HB ALA 6 HB2 ALA 6 74.368 14.165 -7.729 49 3HB ALA 6 HB3 ALA 6 73.132 15.414 -7.875 50 H THR 7 HN THR 7 73.473 12.990 -8.972 51 HA THR 7 HA THR 7 72.259 12.466 -11.584 52 HB THR 7 HB THR 7 71.281 10.475 -10.104 53 HG1 THR 7 HG1 THR 7 72.238 10.252 -8.231 54 1HG2 THR 7 HG21 THR 7 73.275 9.202 -10.642 55 2HG2 THR 7 HG22 THR 7 74.232 10.678 -10.760 56 3HG2 THR 7 HG23 THR 7 72.973 10.346 -11.949 57 H SER 8 HN SER 8 69.959 12.180 -11.910 58 HA SER 8 HA SER 8 68.352 14.175 -10.574 59 1HB SER 8 HB2 SER 8 67.959 13.499 -12.925 60 2HB SER 8 HB1 SER 8 67.494 11.891 -12.379 61 HG SER 8 HG SER 8 65.980 14.038 -12.588 62 H ALA 9 HN ALA 9 67.323 13.941 -8.652 63 HA ALA 9 HA ALA 9 67.315 11.422 -7.235 64 1HB ALA 9 HB1 ALA 9 66.784 14.164 -6.637 65 2HB ALA 9 HB2 ALA 9 66.986 12.825 -5.507 66 3HB ALA 9 HB3 ALA 9 65.384 13.220 -6.129 67 H ASP 10 HN ASP 10 65.289 10.349 -6.464 68 HA ASP 10 HA ASP 10 62.868 10.817 -8.074 69 1HB ASP 10 HB2 ASP 10 64.673 9.110 -9.162 70 2HB ASP 10 HB1 ASP 10 63.773 7.992 -8.136 71 H CYS 11 HN CYS 11 62.111 11.266 -5.867 72 HA CYS 11 HA CYS 11 62.162 9.219 -3.825 73 1HB CYS 11 HB2 CYS 11 60.515 11.727 -4.206 74 2HB CYS 11 HB1 CYS 11 60.305 10.662 -2.816 75 H CYS 12 HN CYS 12 59.627 8.850 -2.934 76 HA CYS 12 HA CYS 12 58.494 7.134 -5.053 77 1HB CYS 12 HB2 CYS 12 58.207 7.351 -2.088 78 2HB CYS 12 HB1 CYS 12 56.855 6.672 -2.993 79 H ILE 13 HN ILE 13 57.636 8.831 -6.418 80 HA ILE 13 HA ILE 13 55.482 10.505 -5.258 81 HB ILE 13 HB ILE 13 56.209 10.511 -8.170 82 1HG1 ILE 13 HG12 ILE 13 58.367 10.477 -6.959 83 2HG1 ILE 13 HG11 ILE 13 58.072 12.058 -7.684 84 1HG2 ILE 13 HG21 ILE 13 55.333 12.559 -6.119 85 2HG2 ILE 13 HG22 ILE 13 54.421 11.975 -7.511 86 3HG2 ILE 13 HG23 ILE 13 55.843 12.990 -7.751 87 1HD1 ILE 13 HD11 ILE 13 58.858 11.893 -5.173 88 2HD1 ILE 13 HD12 ILE 13 57.154 11.549 -4.874 89 3HD1 ILE 13 HD13 ILE 13 57.627 13.068 -5.634 90 H SER 14 HN SER 14 55.900 7.559 -6.961 91 HA SER 14 HA SER 14 52.953 7.356 -7.278 92 1HB SER 14 HB2 SER 14 54.289 8.015 -9.466 93 2HB SER 14 HB1 SER 14 54.695 6.301 -9.481 94 HG SER 14 HG SER 14 52.264 6.125 -9.071 95 H TYR 15 HN TYR 15 52.327 5.488 -6.318 96 HA TYR 15 HA TYR 15 54.364 3.402 -5.792 97 1HB TYR 15 HB2 TYR 15 51.487 3.609 -4.848 98 2HB TYR 15 HB1 TYR 15 52.688 2.453 -4.272 99 HD1 TYR 15 HD1 TYR 15 54.415 3.100 -2.723 100 HD2 TYR 15 HD2 TYR 15 51.753 6.037 -4.376 101 HE1 TYR 15 HE1 TYR 15 55.224 4.763 -1.071 102 HE2 TYR 15 HE2 TYR 15 52.561 7.700 -2.724 103 HH TYR 15 HH TYR 15 54.200 8.140 -1.212 104 H THR 16 HN THR 16 53.926 1.154 -6.339 105 HA THR 16 HA THR 16 52.555 0.908 -8.924 106 HB THR 16 HB THR 16 54.777 -0.202 -8.361 107 HG1 THR 16 HG1 THR 16 53.243 -0.866 -10.043 108 1HG2 THR 16 HG21 THR 16 53.860 -0.940 -6.067 109 2HG2 THR 16 HG22 THR 16 54.824 -2.111 -6.967 110 3HG2 THR 16 HG23 THR 16 53.065 -2.244 -6.949 111 HA PRO 17 HA PRO 17 48.844 -0.584 -7.004 112 1HB PRO 17 HB2 PRO 17 47.563 -1.271 -9.335 113 2HB PRO 17 HB1 PRO 17 47.712 0.397 -8.758 114 1HG PRO 17 HG2 PRO 17 49.164 -0.954 -10.984 115 2HG PRO 17 HG1 PRO 17 48.803 0.766 -10.760 116 1HD PRO 17 HD2 PRO 17 51.295 -0.490 -10.265 117 2HD PRO 17 HD1 PRO 17 50.827 1.147 -9.757 118 H ARG 18 HN ARG 18 50.688 -2.457 -6.532 119 HA ARG 18 HA ARG 18 49.321 -4.967 -7.201 120 1HB ARG 18 HB2 ARG 18 52.215 -4.553 -8.010 121 2HB ARG 18 HB1 ARG 18 51.287 -6.044 -8.182 122 1HG ARG 18 HG2 ARG 18 49.651 -4.731 -9.613 123 2HG ARG 18 HG1 ARG 18 50.824 -3.412 -9.604 124 1HD ARG 18 HD2 ARG 18 51.200 -4.720 -11.603 125 2HD ARG 18 HD1 ARG 18 52.537 -5.031 -10.495 126 HE ARG 18 HE ARG 18 50.480 -6.977 -10.061 127 1HH1 ARG 18 HH21 ARG 18 52.171 -5.961 -12.830 128 2HH1 ARG 18 HH22 ARG 18 52.735 -7.542 -13.257 129 1HH2 ARG 18 HH11 ARG 18 51.510 -9.045 -10.381 130 2HH2 ARG 18 HH12 ARG 18 52.361 -9.288 -11.870 131 H SER 19 HN SER 19 49.401 -6.227 -5.403 132 HA SER 19 HA SER 19 51.291 -5.480 -3.251 133 1HB SER 19 HB2 SER 19 49.921 -7.142 -1.919 134 2HB SER 19 HB1 SER 19 49.006 -5.771 -2.541 135 HG SER 19 HG SER 19 49.125 -8.427 -3.513 136 H ILE 20 HN ILE 20 53.213 -6.530 -3.162 137 HA ILE 20 HA ILE 20 53.353 -9.289 -4.296 138 HB ILE 20 HB ILE 20 55.507 -7.197 -3.877 139 1HG1 ILE 20 HG12 ILE 20 54.736 -8.511 -6.473 140 2HG1 ILE 20 HG11 ILE 20 53.792 -7.152 -5.861 141 1HG2 ILE 20 HG21 ILE 20 55.877 -9.875 -5.216 142 2HG2 ILE 20 HG22 ILE 20 56.131 -9.682 -3.481 143 3HG2 ILE 20 HG23 ILE 20 57.110 -8.762 -4.623 144 1HD1 ILE 20 HD11 ILE 20 56.434 -7.156 -7.098 145 2HD1 ILE 20 HD12 ILE 20 56.437 -6.331 -5.539 146 3HD1 ILE 20 HD13 ILE 20 55.335 -5.807 -6.813 147 HA PRO 21 HA PRO 21 54.072 -10.695 -0.174 148 1HB PRO 21 HB2 PRO 21 54.958 -13.214 -0.830 149 2HB PRO 21 HB1 PRO 21 53.254 -12.731 -0.882 150 1HG PRO 21 HG2 PRO 21 55.151 -13.164 -3.141 151 2HG PRO 21 HG1 PRO 21 53.385 -13.302 -3.117 152 1HD PRO 21 HD2 PRO 21 54.867 -11.123 -4.155 153 2HD PRO 21 HD1 PRO 21 53.120 -11.139 -3.828 154 H CYS 22 HN CYS 22 55.893 -11.347 1.215 155 HA CYS 22 HA CYS 22 58.364 -10.093 0.577 156 1HB CYS 22 HB2 CYS 22 58.054 -12.341 2.574 157 2HB CYS 22 HB1 CYS 22 59.158 -10.971 2.638 158 H SER 23 HN SER 23 57.193 -13.363 0.056 159 HA SER 23 HA SER 23 59.674 -14.671 -0.406 160 1HB SER 23 HB2 SER 23 56.843 -15.151 -1.083 161 2HB SER 23 HB1 SER 23 57.991 -15.874 -2.207 162 HG SER 23 HG SER 23 57.339 -17.065 -0.182 163 H LEU 24 HN LEU 24 57.975 -12.297 -2.266 164 HA LEU 24 HA LEU 24 59.757 -12.828 -4.604 165 1HB LEU 24 HB2 LEU 24 56.995 -12.253 -4.441 166 2HB LEU 24 HB1 LEU 24 57.756 -10.798 -5.085 167 HG LEU 24 HG LEU 24 58.987 -12.286 -6.725 168 1HD1 LEU 24 HD11 LEU 24 57.940 -14.302 -5.078 169 2HD1 LEU 24 HD12 LEU 24 58.777 -14.529 -6.613 170 3HD1 LEU 24 HD13 LEU 24 57.018 -14.417 -6.577 171 1HD2 LEU 24 HD21 LEU 24 56.588 -12.892 -7.860 172 2HD2 LEU 24 HD22 LEU 24 57.284 -11.271 -7.867 173 3HD2 LEU 24 HD23 LEU 24 56.079 -11.708 -6.656 174 H LEU 25 HN LEU 25 60.440 -11.397 -2.038 175 HA LEU 25 HA LEU 25 61.389 -8.883 -3.329 176 1HB LEU 25 HB2 LEU 25 60.114 -9.140 -0.590 177 2HB LEU 25 HB1 LEU 25 60.991 -7.710 -1.135 178 HG LEU 25 HG LEU 25 58.817 -8.794 -2.884 179 1HD1 LEU 25 HD11 LEU 25 57.890 -6.751 -1.009 180 2HD1 LEU 25 HD12 LEU 25 58.311 -8.260 -0.200 181 3HD1 LEU 25 HD13 LEU 25 57.115 -8.258 -1.496 182 1HD2 LEU 25 HD21 LEU 25 59.419 -6.903 -3.959 183 2HD2 LEU 25 HD22 LEU 25 60.448 -6.408 -2.615 184 3HD2 LEU 25 HD23 LEU 25 58.734 -5.993 -2.612 185 H GLU 26 HN GLU 26 63.397 -8.095 -2.431 186 HA GLU 26 HA GLU 26 64.892 -10.210 -0.937 187 1HB GLU 26 HB2 GLU 26 65.784 -9.729 -3.184 188 2HB GLU 26 HB1 GLU 26 65.932 -8.022 -2.764 189 1HG GLU 26 HG2 GLU 26 67.793 -8.360 -1.486 190 2HG GLU 26 HG1 GLU 26 67.212 -9.910 -0.874 191 H SER 27 HN SER 27 64.171 -6.752 -1.095 192 HA SER 27 HA SER 27 64.604 -6.448 1.747 193 1HB SER 27 HB2 SER 27 66.665 -5.452 1.855 194 2HB SER 27 HB1 SER 27 66.955 -6.409 0.405 195 HG SER 27 HG SER 27 67.422 -4.083 0.278 196 H TYR 28 HN TYR 28 64.843 -3.792 2.056 197 HA TYR 28 HA TYR 28 63.438 -2.215 0.084 198 1HB TYR 28 HB2 TYR 28 61.312 -1.955 1.184 199 2HB TYR 28 HB1 TYR 28 61.592 -3.688 1.007 200 HD1 TYR 28 HD1 TYR 28 60.755 -1.107 3.289 201 HD2 TYR 28 HD2 TYR 28 62.856 -4.844 3.016 202 HE1 TYR 28 HE1 TYR 28 60.577 -1.387 5.747 203 HE2 TYR 28 HE2 TYR 28 62.678 -5.124 5.474 204 HH TYR 28 HH TYR 28 60.822 -4.067 7.313 205 H PHE 29 HN PHE 29 62.813 -0.023 1.102 206 HA PHE 29 HA PHE 29 64.035 0.647 3.661 207 1HB PHE 29 HB2 PHE 29 65.644 2.310 2.577 208 2HB PHE 29 HB1 PHE 29 66.096 0.610 2.448 209 HD1 PHE 29 HD1 PHE 29 65.240 3.620 0.639 210 HD2 PHE 29 HD2 PHE 29 65.514 -0.655 0.319 211 HE1 PHE 29 HE1 PHE 29 65.239 3.805 -1.834 212 HE2 PHE 29 HE2 PHE 29 65.514 -0.470 -2.154 213 HZ PHE 29 HZ PHE 29 65.377 1.760 -3.230 214 H GLU 30 HN GLU 30 64.183 3.290 3.628 215 HA GLU 30 HA GLU 30 61.509 4.144 2.611 216 1HB GLU 30 HB2 GLU 30 63.177 5.568 4.694 217 2HB GLU 30 HB1 GLU 30 61.448 5.736 4.384 218 1HG GLU 30 HG2 GLU 30 62.873 3.331 5.550 219 2HG GLU 30 HG1 GLU 30 61.691 4.365 6.353 220 H THR 31 HN THR 31 61.339 6.074 1.408 221 HA THR 31 HA THR 31 63.628 6.780 -0.191 222 HB THR 31 HB THR 31 62.109 8.689 -0.944 223 HG1 THR 31 HG1 THR 31 59.998 8.591 -0.174 224 1HG2 THR 31 HG21 THR 31 61.922 5.862 -1.342 225 2HG2 THR 31 HG22 THR 31 61.521 7.155 -2.473 226 3HG2 THR 31 HG23 THR 31 60.292 6.537 -1.369 227 H ASN 32 HN ASN 32 63.869 9.443 -0.364 228 HA ASN 32 HA ASN 32 65.281 10.140 2.072 229 1HB ASN 32 HB2 ASN 32 65.312 10.995 -0.602 230 2HB ASN 32 HB1 ASN 32 64.770 12.398 0.319 231 1HD2 ASN 32 HD21 ASN 32 67.063 9.778 1.250 232 2HD2 ASN 32 HD22 ASN 32 68.361 10.826 1.569 233 H SER 33 HN SER 33 64.507 11.270 3.800 234 HA SER 33 HA SER 33 61.712 11.838 4.062 235 1HB SER 33 HB2 SER 33 62.319 12.889 6.180 236 2HB SER 33 HB1 SER 33 63.253 11.409 5.979 237 HG SER 33 HG SER 33 64.944 12.771 5.125 238 H GLU 34 HN GLU 34 64.394 13.699 2.840 239 HA GLU 34 HA GLU 34 63.422 16.333 3.157 240 1HB GLU 34 HB2 GLU 34 65.199 14.965 1.180 241 2HB GLU 34 HB1 GLU 34 64.609 16.578 0.778 242 1HG GLU 34 HG2 GLU 34 65.874 15.953 3.451 243 2HG GLU 34 HG1 GLU 34 66.827 16.469 2.059 244 H CYS 35 HN CYS 35 62.267 13.754 1.142 245 HA CYS 35 HA CYS 35 60.766 15.528 -0.649 246 1HB CYS 35 HB2 CYS 35 61.032 12.555 -0.306 247 2HB CYS 35 HB1 CYS 35 59.685 13.206 -1.240 248 H SER 36 HN SER 36 58.880 16.453 -0.027 249 HA SER 36 HA SER 36 57.557 15.963 2.420 250 1HB SER 36 HB2 SER 36 55.735 17.278 1.534 251 2HB SER 36 HB1 SER 36 57.232 17.962 0.907 252 HG SER 36 HG SER 36 55.174 17.095 -0.462 253 H LYS 37 HN LYS 37 57.514 14.155 -0.517 254 HA LYS 37 HA LYS 37 55.222 12.542 0.534 255 1HB LYS 37 HB2 LYS 37 56.000 13.359 -2.237 256 2HB LYS 37 HB1 LYS 37 55.250 11.778 -2.019 257 1HG LYS 37 HG2 LYS 37 53.806 13.695 -0.451 258 2HG LYS 37 HG1 LYS 37 53.969 14.320 -2.092 259 1HD LYS 37 HD2 LYS 37 53.301 11.857 -2.770 260 2HD LYS 37 HD1 LYS 37 52.615 11.817 -1.145 261 1HE LYS 37 HE2 LYS 37 51.962 13.805 -3.338 262 2HE LYS 37 HE1 LYS 37 50.892 12.563 -2.686 263 1HZ LYS 37 HZ1 LYS 37 51.366 13.740 -0.457 264 2HZ LYS 37 HZ2 LYS 37 50.249 14.431 -1.534 265 3HZ LYS 37 HZ3 LYS 37 51.826 15.054 -1.426 266 HA PRO 38 HA PRO 38 58.921 9.854 0.695 267 1HB PRO 38 HB2 PRO 38 58.274 8.778 3.142 268 2HB PRO 38 HB1 PRO 38 59.208 10.271 2.944 269 1HG PRO 38 HG2 PRO 38 56.365 9.932 3.782 270 2HG PRO 38 HG1 PRO 38 57.497 11.243 4.156 271 1HD PRO 38 HD2 PRO 38 55.434 11.336 2.219 272 2HD PRO 38 HD1 PRO 38 56.771 12.495 2.379 273 H GLY 39 HN GLY 39 58.804 7.332 1.363 274 1HA GLY 39 HA2 GLY 39 56.342 5.952 1.196 275 2HA GLY 39 HA1 GLY 39 57.040 6.057 -0.416 276 H VAL 40 HN VAL 40 56.935 3.564 0.195 277 HA VAL 40 HA VAL 40 59.527 2.839 1.503 278 HB VAL 40 HB VAL 40 57.167 0.996 1.074 279 1HG1 VAL 40 HG11 VAL 40 58.391 -0.002 3.185 280 2HG1 VAL 40 HG12 VAL 40 59.765 0.921 2.576 281 3HG1 VAL 40 HG13 VAL 40 59.023 -0.323 1.570 282 1HG2 VAL 40 HG21 VAL 40 57.582 1.912 3.809 283 2HG2 VAL 40 HG22 VAL 40 56.097 1.877 2.859 284 3HG2 VAL 40 HG23 VAL 40 57.192 3.253 2.732 285 H ILE 41 HN ILE 41 61.055 2.122 0.104 286 HA ILE 41 HA ILE 41 60.207 1.277 -2.614 287 HB ILE 41 HB ILE 41 62.925 1.956 -1.453 288 1HG1 ILE 41 HG12 ILE 41 61.062 3.346 -3.403 289 2HG1 ILE 41 HG11 ILE 41 61.542 3.918 -1.805 290 1HG2 ILE 41 HG21 ILE 41 62.088 0.999 -4.199 291 2HG2 ILE 41 HG22 ILE 41 63.300 0.290 -3.131 292 3HG2 ILE 41 HG23 ILE 41 63.608 1.843 -3.908 293 1HD1 ILE 41 HD11 ILE 41 63.934 3.380 -3.238 294 2HD1 ILE 41 HD12 ILE 41 63.311 4.951 -2.732 295 3HD1 ILE 41 HD13 ILE 41 62.885 4.302 -4.316 296 H PHE 42 HN PHE 42 59.880 -0.878 -2.870 297 HA PHE 42 HA PHE 42 61.365 -2.767 -1.116 298 1HB PHE 42 HB2 PHE 42 58.818 -2.887 -2.683 299 2HB PHE 42 HB1 PHE 42 59.693 -4.392 -2.399 300 HD1 PHE 42 HD1 PHE 42 58.298 -1.396 -0.655 301 HD2 PHE 42 HD2 PHE 42 59.570 -5.484 -0.311 302 HE1 PHE 42 HE1 PHE 42 57.412 -1.476 1.660 303 HE2 PHE 42 HE2 PHE 42 58.685 -5.565 2.004 304 HZ PHE 42 HZ PHE 42 57.605 -3.561 2.990 305 H LEU 43 HN LEU 43 62.930 -4.100 -1.945 306 HA LEU 43 HA LEU 43 63.490 -3.860 -4.862 307 1HB LEU 43 HB2 LEU 43 65.258 -3.337 -3.060 308 2HB LEU 43 HB1 LEU 43 65.316 -5.079 -2.787 309 HG LEU 43 HG LEU 43 65.419 -4.479 -5.623 310 1HD1 LEU 43 HD11 LEU 43 67.968 -3.631 -4.425 311 2HD1 LEU 43 HD12 LEU 43 66.645 -2.499 -4.146 312 3HD1 LEU 43 HD13 LEU 43 67.087 -2.949 -5.793 313 1HD2 LEU 43 HD21 LEU 43 67.805 -5.576 -4.304 314 2HD2 LEU 43 HD22 LEU 43 66.790 -6.288 -5.558 315 3HD2 LEU 43 HD23 LEU 43 66.317 -6.414 -3.864 316 H THR 44 HN THR 44 63.293 -5.639 -6.172 317 HA THR 44 HA THR 44 62.319 -8.139 -4.908 318 HB THR 44 HB THR 44 61.797 -8.786 -7.283 319 HG1 THR 44 HG1 THR 44 62.774 -7.667 -8.743 320 1HG2 THR 44 HG21 THR 44 60.504 -6.173 -7.156 321 2HG2 THR 44 HG22 THR 44 60.491 -7.000 -5.599 322 3HG2 THR 44 HG23 THR 44 59.795 -7.781 -7.018 323 H LYS 45 HN LYS 45 63.161 -10.219 -6.015 324 HA LYS 45 HA LYS 45 66.068 -10.229 -5.774 325 1HB LYS 45 HB2 LYS 45 64.527 -12.113 -5.040 326 2HB LYS 45 HB1 LYS 45 64.296 -12.484 -6.749 327 1HG LYS 45 HG2 LYS 45 67.117 -12.157 -6.054 328 2HG LYS 45 HG1 LYS 45 66.346 -13.457 -5.144 329 1HD LYS 45 HD2 LYS 45 65.730 -14.625 -7.099 330 2HD LYS 45 HD1 LYS 45 65.948 -13.204 -8.122 331 1HE LYS 45 HE2 LYS 45 68.449 -13.397 -7.177 332 2HE LYS 45 HE1 LYS 45 67.986 -15.094 -7.042 333 1HZ LYS 45 HZ1 LYS 45 67.253 -13.789 -9.524 334 2HZ LYS 45 HZ2 LYS 45 67.895 -15.339 -9.257 335 3HZ LYS 45 HZ3 LYS 45 68.920 -13.984 -9.277 336 H LYS 46 HN LYS 46 64.134 -9.234 -8.229 337 HA LYS 46 HA LYS 46 65.897 -10.351 -10.362 338 1HB LYS 46 HB2 LYS 46 63.258 -10.421 -10.402 339 2HB LYS 46 HB1 LYS 46 63.425 -8.748 -10.933 340 1HG LYS 46 HG2 LYS 46 64.587 -9.349 -12.886 341 2HG LYS 46 HG1 LYS 46 65.027 -10.934 -12.246 342 1HD LYS 46 HD2 LYS 46 62.136 -10.565 -12.328 343 2HD LYS 46 HD1 LYS 46 62.866 -10.383 -13.923 344 1HE LYS 46 HE2 LYS 46 63.389 -12.583 -14.057 345 2HE LYS 46 HE1 LYS 46 63.974 -12.630 -12.394 346 1HZ LYS 46 HZ1 LYS 46 61.328 -12.314 -12.056 347 2HZ LYS 46 HZ2 LYS 46 62.131 -13.811 -12.025 348 3HZ LYS 46 HZ3 LYS 46 61.369 -13.281 -13.449 349 H GLY 47 HN GLY 47 66.609 -8.148 -8.494 350 1HA GLY 47 HA2 GLY 47 67.651 -6.060 -8.598 351 2HA GLY 47 HA1 GLY 47 67.865 -6.396 -10.313 352 H ARG 48 HN ARG 48 64.720 -6.221 -8.741 353 HA ARG 48 HA ARG 48 64.179 -3.739 -10.326 354 1HB ARG 48 HB2 ARG 48 62.705 -6.264 -10.034 355 2HB ARG 48 HB1 ARG 48 61.705 -4.835 -9.770 356 1HG ARG 48 HG2 ARG 48 63.569 -4.972 -12.130 357 2HG ARG 48 HG1 ARG 48 61.977 -5.727 -12.205 358 1HD ARG 48 HD2 ARG 48 61.775 -3.073 -11.070 359 2HD ARG 48 HD1 ARG 48 62.581 -3.010 -12.638 360 HE ARG 48 HE ARG 48 60.544 -4.402 -13.443 361 1HH1 ARG 48 HH11 ARG 48 59.806 -3.640 -10.355 362 2HH1 ARG 48 HH12 ARG 48 58.441 -2.630 -10.696 363 1HH2 ARG 48 HH21 ARG 48 59.081 -2.461 -14.100 364 2HH2 ARG 48 HH22 ARG 48 58.031 -1.962 -12.817 365 H ARG 49 HN ARG 49 62.755 -2.172 -9.300 366 HA ARG 49 HA ARG 49 62.196 -2.580 -6.420 367 1HB ARG 49 HB2 ARG 49 63.202 -0.242 -6.005 368 2HB ARG 49 HB1 ARG 49 64.335 -1.577 -6.212 369 1HG ARG 49 HG2 ARG 49 64.407 -0.963 -8.687 370 2HG ARG 49 HG1 ARG 49 63.552 0.517 -8.249 371 1HD ARG 49 HD2 ARG 49 65.431 0.816 -6.478 372 2HD ARG 49 HD1 ARG 49 66.317 -0.366 -7.440 373 HE ARG 49 HE ARG 49 66.048 1.237 -9.376 374 1HH1 ARG 49 HH21 ARG 49 64.142 3.157 -8.199 375 2HH1 ARG 49 HH22 ARG 49 65.172 4.426 -7.625 376 1HH2 ARG 49 HH11 ARG 49 68.052 2.498 -7.739 377 2HH2 ARG 49 HH12 ARG 49 67.386 4.052 -7.365 378 H PHE 50 HN PHE 50 60.324 -1.542 -5.811 379 HA PHE 50 HA PHE 50 59.237 0.563 -7.619 380 1HB PHE 50 HB2 PHE 50 56.985 -0.508 -7.442 381 2HB PHE 50 HB1 PHE 50 58.150 -1.513 -8.304 382 HD1 PHE 50 HD1 PHE 50 58.960 -3.589 -7.374 383 HD2 PHE 50 HD2 PHE 50 56.347 -1.042 -5.107 384 HE1 PHE 50 HE1 PHE 50 58.608 -5.413 -5.731 385 HE2 PHE 50 HE2 PHE 50 55.994 -2.866 -3.464 386 HZ PHE 50 HZ PHE 50 57.125 -5.052 -3.776 387 H CYS 51 HN CYS 51 57.378 1.737 -6.514 388 HA CYS 51 HA CYS 51 58.119 2.223 -3.708 389 1HB CYS 51 HB2 CYS 51 56.319 3.591 -5.702 390 2HB CYS 51 HB1 CYS 51 56.279 4.020 -3.995 391 H ALA 52 HN ALA 52 56.814 1.728 -1.954 392 HA ALA 52 HA ALA 52 54.216 0.374 -2.560 393 1HB ALA 52 HB1 ALA 52 55.008 -1.495 -1.589 394 2HB ALA 52 HB2 ALA 52 55.248 -0.596 -0.092 395 3HB ALA 52 HB3 ALA 52 56.550 -0.697 -1.277 396 H ASN 53 HN ASN 53 52.608 0.581 -0.832 397 HA ASN 53 HA ASN 53 52.723 3.214 0.431 398 1HB ASN 53 HB2 ASN 53 50.646 2.090 -0.588 399 2HB ASN 53 HB1 ASN 53 50.599 1.114 0.880 400 1HD2 ASN 53 HD21 ASN 53 48.717 2.085 1.825 401 2HD2 ASN 53 HD22 ASN 53 48.669 3.710 2.312 402 HA PRO 54 HA PRO 54 54.439 1.483 4.166 403 1HB PRO 54 HB2 PRO 54 54.542 3.870 5.531 404 2HB PRO 54 HB1 PRO 54 55.741 3.378 4.322 405 1HG PRO 54 HG2 PRO 54 53.543 5.383 4.081 406 2HG PRO 54 HG1 PRO 54 55.093 5.307 3.226 407 1HD PRO 54 HD2 PRO 54 52.593 4.532 2.167 408 2HD PRO 54 HD1 PRO 54 54.181 4.128 1.482 409 H SER 55 HN SER 55 51.352 2.588 3.618 410 HA SER 55 HA SER 55 50.546 2.309 6.478 411 1HB SER 55 HB2 SER 55 49.243 3.621 4.094 412 2HB SER 55 HB1 SER 55 48.312 3.208 5.531 413 HG SER 55 HG SER 55 50.572 4.910 5.322 414 H ASP 56 HN ASP 56 50.806 0.515 3.679 415 HA ASP 56 HA ASP 56 48.294 -0.967 3.898 416 1HB ASP 56 HB2 ASP 56 49.727 -0.655 1.777 417 2HB ASP 56 HB1 ASP 56 50.782 -1.895 2.457 418 H LYS 57 HN LYS 57 47.944 -2.519 5.407 419 HA LYS 57 HA LYS 57 49.687 -3.318 7.412 420 1HB LYS 57 HB2 LYS 57 48.313 -5.594 7.223 421 2HB LYS 57 HB1 LYS 57 47.547 -4.111 7.791 422 1HG LYS 57 HG2 LYS 57 47.531 -4.336 4.872 423 2HG LYS 57 HG1 LYS 57 46.676 -5.662 5.662 424 1HD LYS 57 HD2 LYS 57 45.586 -3.788 7.109 425 2HD LYS 57 HD1 LYS 57 46.125 -2.706 5.824 426 1HE LYS 57 HE2 LYS 57 44.380 -3.329 4.550 427 2HE LYS 57 HE1 LYS 57 44.921 -5.006 4.616 428 1HZ LYS 57 HZ1 LYS 57 43.369 -3.719 6.788 429 2HZ LYS 57 HZ2 LYS 57 43.697 -5.374 6.584 430 3HZ LYS 57 HZ3 LYS 57 42.643 -4.576 5.517 431 H GLN 58 HN GLN 58 49.404 -4.689 4.151 432 HA GLN 58 HA GLN 58 51.108 -6.929 4.504 433 1HB GLN 58 HB2 GLN 58 49.789 -5.728 2.358 434 2HB GLN 58 HB1 GLN 58 51.496 -5.611 1.929 435 1HG GLN 58 HG2 GLN 58 51.470 -7.784 1.352 436 2HG GLN 58 HG1 GLN 58 51.104 -8.198 3.028 437 1HE2 GLN 58 HE21 GLN 58 48.484 -7.045 3.216 438 2HE2 GLN 58 HE22 GLN 58 47.446 -7.911 2.189 439 H VAL 59 HN VAL 59 51.838 -3.514 4.035 440 HA VAL 59 HA VAL 59 54.696 -3.976 3.641 441 HB VAL 59 HB VAL 59 53.086 -1.480 4.249 442 1HG1 VAL 59 HG11 VAL 59 55.551 -0.711 3.221 443 2HG1 VAL 59 HG12 VAL 59 55.965 -1.991 4.361 444 3HG1 VAL 59 HG13 VAL 59 55.055 -0.583 4.908 445 1HG2 VAL 59 HG21 VAL 59 54.208 -2.793 1.791 446 2HG2 VAL 59 HG22 VAL 59 54.059 -1.036 1.835 447 3HG2 VAL 59 HG23 VAL 59 52.628 -2.047 2.032 448 H GLN 60 HN GLN 60 52.572 -3.107 6.340 449 HA GLN 60 HA GLN 60 54.742 -2.677 8.216 450 1HB GLN 60 HB2 GLN 60 51.800 -3.279 8.653 451 2HB GLN 60 HB1 GLN 60 52.926 -2.822 9.932 452 1HG GLN 60 HG2 GLN 60 53.396 -0.851 8.101 453 2HG GLN 60 HG1 GLN 60 51.678 -1.152 7.838 454 1HE2 GLN 60 HE21 GLN 60 54.024 0.146 10.096 455 2HE2 GLN 60 HE22 GLN 60 52.903 0.669 11.259 456 H VAL 61 HN VAL 61 52.833 -5.451 7.184 457 HA VAL 61 HA VAL 61 53.753 -7.191 9.326 458 HB VAL 61 HB VAL 61 52.540 -7.846 6.622 459 1HG1 VAL 61 HG11 VAL 61 52.134 -10.055 7.530 460 2HG1 VAL 61 HG12 VAL 61 52.778 -9.576 9.100 461 3HG1 VAL 61 HG13 VAL 61 53.852 -9.701 7.707 462 1HG2 VAL 61 HG21 VAL 61 51.385 -6.566 8.791 463 2HG2 VAL 61 HG22 VAL 61 50.962 -8.256 9.064 464 3HG2 VAL 61 HG23 VAL 61 50.507 -7.466 7.554 465 H CYS 62 HN CYS 62 54.636 -6.757 5.891 466 HA CYS 62 HA CYS 62 56.777 -8.714 6.021 467 1HB CYS 62 HB2 CYS 62 55.513 -7.850 3.926 468 2HB CYS 62 HB1 CYS 62 56.617 -6.477 4.003 469 H MET 63 HN MET 63 56.451 -5.396 6.913 470 HA MET 63 HA MET 63 59.147 -4.516 6.615 471 1HB MET 63 HB2 MET 63 56.752 -3.647 8.078 472 2HB MET 63 HB1 MET 63 58.258 -3.252 8.908 473 1HG MET 63 HG2 MET 63 58.986 -2.499 6.455 474 2HG MET 63 HG1 MET 63 57.245 -2.301 6.262 475 1HE MET 63 HE1 MET 63 60.422 -0.573 8.556 476 2HE MET 63 HE2 MET 63 59.829 -2.216 8.782 477 3HE MET 63 HE3 MET 63 59.375 -0.959 9.929 478 H ARG 64 HN ARG 64 57.513 -6.248 9.255 479 HA ARG 64 HA ARG 64 59.972 -6.340 10.855 480 1HB ARG 64 HB2 ARG 64 57.153 -6.891 11.261 481 2HB ARG 64 HB1 ARG 64 58.140 -8.225 11.858 482 1HG ARG 64 HG2 ARG 64 59.578 -6.124 12.792 483 2HG ARG 64 HG1 ARG 64 57.957 -5.428 12.828 484 1HD ARG 64 HD2 ARG 64 58.881 -7.980 14.172 485 2HD ARG 64 HD1 ARG 64 58.327 -6.501 14.957 486 HE ARG 64 HE ARG 64 56.165 -7.232 13.411 487 1HH1 ARG 64 HH21 ARG 64 57.019 -7.694 16.499 488 2HH1 ARG 64 HH22 ARG 64 56.300 -9.256 16.711 489 1HH2 ARG 64 HH11 ARG 64 55.734 -9.748 13.325 490 2HH2 ARG 64 HH12 ARG 64 55.574 -10.419 14.914 491 H MET 65 HN MET 65 58.399 -8.273 8.442 492 HA MET 65 HA MET 65 59.606 -10.804 9.114 493 1HB MET 65 HB2 MET 65 57.629 -10.286 7.496 494 2HB MET 65 HB1 MET 65 58.893 -9.989 6.302 495 1HG MET 65 HG2 MET 65 58.777 -12.229 5.935 496 2HG MET 65 HG1 MET 65 59.735 -12.351 7.411 497 1HE MET 65 HE1 MET 65 57.629 -14.595 6.141 498 2HE MET 65 HE2 MET 65 57.213 -15.269 7.715 499 3HE MET 65 HE3 MET 65 58.868 -14.758 7.394 500 H LEU 66 HN LEU 66 60.451 -8.365 6.626 501 HA LEU 66 HA LEU 66 62.943 -9.668 5.955 502 1HB LEU 66 HB2 LEU 66 61.647 -7.046 5.323 503 2HB LEU 66 HB1 LEU 66 63.381 -7.205 5.041 504 HG LEU 66 HG LEU 66 61.782 -9.493 4.089 505 1HD1 LEU 66 HD11 LEU 66 60.508 -8.454 2.494 506 2HD1 LEU 66 HD12 LEU 66 61.664 -7.139 2.281 507 3HD1 LEU 66 HD13 LEU 66 60.552 -7.122 3.650 508 1HD2 LEU 66 HD21 LEU 66 63.298 -8.396 2.023 509 2HD2 LEU 66 HD22 LEU 66 63.812 -9.688 3.108 510 3HD2 LEU 66 HD23 LEU 66 64.227 -8.012 3.472 511 H LYS 67 HN LYS 67 61.985 -7.887 8.652 512 HA LYS 67 HA LYS 67 64.063 -6.203 9.352 513 1HB LYS 67 HB2 LYS 67 61.978 -7.216 10.719 514 2HB LYS 67 HB1 LYS 67 63.272 -8.171 11.444 515 1HG LYS 67 HG2 LYS 67 64.439 -6.223 12.173 516 2HG LYS 67 HG1 LYS 67 63.446 -5.166 11.170 517 1HD LYS 67 HD2 LYS 67 61.447 -5.975 12.546 518 2HD LYS 67 HD1 LYS 67 62.625 -6.666 13.662 519 1HE LYS 67 HE2 LYS 67 63.495 -4.558 14.246 520 2HE LYS 67 HE1 LYS 67 62.826 -3.783 12.810 521 1HZ LYS 67 HZ1 LYS 67 60.621 -4.060 13.691 522 2HZ LYS 67 HZ2 LYS 67 61.581 -3.259 14.841 523 3HZ LYS 67 HZ3 LYS 67 61.213 -4.906 15.036 524 H LEU 68 HN LEU 68 65.945 -6.692 10.878 525 HA LEU 68 HA LEU 68 67.685 -8.634 9.639 526 1HB LEU 68 HB2 LEU 68 67.872 -6.610 11.773 527 2HB LEU 68 HB1 LEU 68 68.904 -8.019 12.025 528 HG LEU 68 HG LEU 68 70.121 -6.338 10.732 529 1HD1 LEU 68 HD11 LEU 68 70.963 -7.806 9.147 530 2HD1 LEU 68 HD12 LEU 68 69.362 -8.354 8.652 531 3HD1 LEU 68 HD13 LEU 68 70.065 -8.934 10.162 532 1HD2 LEU 68 HD21 LEU 68 67.768 -5.545 9.745 533 2HD2 LEU 68 HD22 LEU 68 68.233 -6.625 8.430 534 3HD2 LEU 68 HD23 LEU 68 69.271 -5.267 8.865 535 H ASP 69 HN ASP 69 68.731 -10.443 10.849 536 HA ASP 69 HA ASP 69 66.766 -12.164 12.049 537 1HB ASP 69 HB2 ASP 69 68.891 -13.524 12.639 538 2HB ASP 69 HB1 ASP 69 68.529 -13.273 10.933 539 H THR 70 HN THR 70 66.041 -10.672 13.794 540 HA THR 70 HA THR 70 66.102 -9.841 15.998 541 HB THR 70 HB THR 70 66.785 -11.500 17.641 542 HG1 THR 70 HG1 THR 70 68.150 -13.093 17.156 543 1HG2 THR 70 HG21 THR 70 65.196 -13.053 17.082 544 2HG2 THR 70 HG22 THR 70 65.854 -13.297 15.464 545 3HG2 THR 70 HG23 THR 70 64.852 -11.886 15.806 546 H ARG 71 HN ARG 71 67.719 -8.208 14.937 547 HA ARG 71 HA ARG 71 69.914 -7.855 16.791 548 1HB ARG 71 HB2 ARG 71 70.532 -9.516 14.676 549 2HB ARG 71 HB1 ARG 71 71.056 -7.939 14.084 550 1HG ARG 71 HG2 ARG 71 72.940 -8.300 15.286 551 2HG ARG 71 HG1 ARG 71 71.951 -7.930 16.699 552 1HD ARG 71 HD2 ARG 71 72.270 -10.028 17.442 553 2HD ARG 71 HD1 ARG 71 71.430 -10.636 16.015 554 HE ARG 71 HE ARG 71 73.534 -11.406 15.316 555 1HH1 ARG 71 HH11 ARG 71 74.266 -9.704 18.035 556 2HH1 ARG 71 HH12 ARG 71 75.784 -9.077 17.486 557 1HH2 ARG 71 HH21 ARG 71 75.311 -10.078 14.201 558 2HH2 ARG 71 HH22 ARG 71 76.376 -9.288 15.315 559 H ILE 72 HN ILE 72 70.017 -5.677 17.034 560 HA ILE 72 HA ILE 72 69.676 -3.955 14.632 561 HB ILE 72 HB ILE 72 68.317 -3.191 17.204 562 1HG1 ILE 72 HG12 ILE 72 67.036 -4.817 14.986 563 2HG1 ILE 72 HG11 ILE 72 67.548 -5.497 16.531 564 1HG2 ILE 72 HG21 ILE 72 66.771 -2.284 15.200 565 2HG2 ILE 72 HG22 ILE 72 68.302 -2.394 14.332 566 3HG2 ILE 72 HG23 ILE 72 68.177 -1.391 15.777 567 1HD1 ILE 72 HD11 ILE 72 65.909 -3.076 16.810 568 2HD1 ILE 72 HD12 ILE 72 65.765 -4.631 17.630 569 3HD1 ILE 72 HD13 ILE 72 65.062 -4.410 16.028 570 H LYS 73 HN LYS 73 72.135 -4.350 15.553 571 HA LYS 73 HA LYS 73 72.861 -2.565 17.739 572 1HB LYS 73 HB2 LYS 73 74.099 -4.688 16.540 573 2HB LYS 73 HB1 LYS 73 74.957 -3.335 15.801 574 1HG LYS 73 HG2 LYS 73 75.783 -2.567 17.842 575 2HG LYS 73 HG1 LYS 73 74.493 -3.336 18.768 576 1HD LYS 73 HD2 LYS 73 75.444 -5.554 18.266 577 2HD LYS 73 HD1 LYS 73 76.730 -4.794 17.328 578 1HE LYS 73 HE2 LYS 73 76.427 -3.693 20.041 579 2HE LYS 73 HE1 LYS 73 76.894 -5.393 20.008 580 1HZ LYS 73 HZ1 LYS 73 78.555 -3.256 19.649 581 2HZ LYS 73 HZ2 LYS 73 78.315 -3.847 18.074 582 3HZ LYS 73 HZ3 LYS 73 78.914 -4.874 19.288 583 H THR 74 HN THR 74 72.576 -2.317 14.257 584 HA THR 74 HA THR 74 72.948 -0.508 12.802 585 HB THR 74 HB THR 74 72.084 1.582 13.570 586 HG1 THR 74 HG1 THR 74 71.793 1.695 15.993 587 1HG2 THR 74 HG21 THR 74 70.828 -0.908 14.424 588 2HG2 THR 74 HG22 THR 74 70.103 0.509 13.665 589 3HG2 THR 74 HG23 THR 74 70.325 0.462 15.414 590 H ARG 75 HN ARG 75 75.297 -1.185 12.854 591 HA ARG 75 HA ARG 75 77.107 0.374 14.541 592 1HB ARG 75 HB2 ARG 75 77.840 -1.237 12.086 593 2HB ARG 75 HB1 ARG 75 78.871 -0.827 13.458 594 1HG ARG 75 HG2 ARG 75 77.689 -2.293 14.916 595 2HG ARG 75 HG1 ARG 75 76.356 -2.473 13.775 596 1HD ARG 75 HD2 ARG 75 77.752 -4.471 13.689 597 2HD ARG 75 HD1 ARG 75 77.926 -3.578 12.178 598 HE ARG 75 HE ARG 75 79.939 -3.321 14.374 599 1HH1 ARG 75 HH21 ARG 75 79.308 -4.905 11.483 600 2HH1 ARG 75 HH22 ARG 75 80.781 -4.437 10.701 601 1HH2 ARG 75 HH11 ARG 75 81.723 -2.234 13.207 602 2HH2 ARG 75 HH12 ARG 75 82.148 -2.925 11.676 603 H LYS 76 HN LYS 76 76.577 0.196 10.997 604 HA LYS 76 HA LYS 76 76.681 3.084 10.736 605 1HB LYS 76 HB2 LYS 76 79.161 1.551 10.546 606 2HB LYS 76 HB1 LYS 76 78.822 2.453 9.068 607 1HG LYS 76 HG2 LYS 76 78.818 3.629 11.865 608 2HG LYS 76 HG1 LYS 76 80.124 3.806 10.692 609 1HD LYS 76 HD2 LYS 76 78.979 5.338 9.451 610 2HD LYS 76 HD1 LYS 76 77.433 4.522 9.692 611 1HE LYS 76 HE2 LYS 76 77.398 5.386 12.040 612 2HE LYS 76 HE1 LYS 76 78.867 6.297 11.689 613 1HZ LYS 76 HZ1 LYS 76 76.634 6.610 9.841 614 2HZ LYS 76 HZ2 LYS 76 77.768 7.754 10.380 615 3HZ LYS 76 HZ3 LYS 76 76.461 7.316 11.373 616 H ASN 77 HN ASN 77 74.865 1.054 9.918 617 HA ASN 77 HA ASN 77 75.176 0.157 7.249 618 1HB ASN 77 HB2 ASN 77 73.213 -0.071 9.137 619 2HB ASN 77 HB1 ASN 77 72.455 1.040 7.996 620 1HD2 ASN 77 HD21 ASN 77 71.603 -1.727 8.383 621 2HD2 ASN 77 HD22 ASN 77 71.870 -2.544 6.919 Start of MODEL 6 1 1H MET 1 HT1 MET 1 81.694 -18.952 -13.502 2 2H MET 1 HT2 MET 1 80.632 -20.224 -13.129 3 3H MET 1 HT3 MET 1 80.987 -19.040 -11.963 4 HA MET 1 HA MET 1 78.906 -18.402 -12.712 5 1HB MET 1 HB2 MET 1 81.058 -16.971 -14.291 6 2HB MET 1 HB1 MET 1 79.383 -16.421 -14.236 7 1HG MET 1 HG2 MET 1 79.736 -15.445 -12.242 8 2HG MET 1 HG1 MET 1 80.271 -16.981 -11.561 9 1HE MET 1 HE1 MET 1 82.559 -15.807 -9.974 10 2HE MET 1 HE2 MET 1 81.095 -14.884 -10.306 11 3HE MET 1 HE3 MET 1 82.673 -14.142 -10.560 12 H ASP 2 HN ASP 2 77.277 -18.539 -14.286 13 HA ASP 2 HA ASP 2 78.062 -19.646 -16.942 14 1HB ASP 2 HB2 ASP 2 75.893 -21.080 -16.670 15 2HB ASP 2 HB1 ASP 2 77.377 -21.627 -15.888 16 H ARG 3 HN ARG 3 77.352 -18.107 -18.344 17 HA ARG 3 HA ARG 3 75.072 -16.395 -17.694 18 1HB ARG 3 HB2 ARG 3 77.202 -15.802 -19.084 19 2HB ARG 3 HB1 ARG 3 76.343 -16.574 -20.417 20 1HG ARG 3 HG2 ARG 3 74.371 -14.991 -19.406 21 2HG ARG 3 HG1 ARG 3 75.791 -14.006 -19.054 22 1HD ARG 3 HD2 ARG 3 76.124 -13.515 -21.239 23 2HD ARG 3 HD1 ARG 3 75.855 -15.185 -21.737 24 HE ARG 3 HE ARG 3 73.789 -14.330 -22.491 25 1HH1 ARG 3 HH21 ARG 3 74.852 -12.361 -19.935 26 2HH1 ARG 3 HH22 ARG 3 73.267 -11.851 -19.460 27 1HH2 ARG 3 HH11 ARG 3 71.635 -13.980 -21.658 28 2HH2 ARG 3 HH12 ARG 3 71.445 -12.768 -20.435 29 H PHE 4 HN PHE 4 73.595 -18.347 -17.497 30 HA PHE 4 HA PHE 4 72.269 -18.788 -20.113 31 1HB PHE 4 HB2 PHE 4 73.954 -20.709 -19.276 32 2HB PHE 4 HB1 PHE 4 72.525 -21.184 -18.358 33 HD1 PHE 4 HD1 PHE 4 73.904 -20.648 -21.745 34 HD2 PHE 4 HD2 PHE 4 70.527 -21.998 -19.459 35 HE1 PHE 4 HE1 PHE 4 72.922 -21.653 -23.789 36 HE2 PHE 4 HE2 PHE 4 69.545 -23.003 -21.503 37 HZ PHE 4 HZ PHE 4 70.742 -22.831 -23.668 38 H HIS 5 HN HIS 5 71.380 -17.107 -18.091 39 HA HIS 5 HA HIS 5 68.926 -18.542 -17.232 40 1HB HIS 5 HB2 HIS 5 71.051 -17.746 -15.462 41 2HB HIS 5 HB1 HIS 5 69.613 -16.785 -15.111 42 HD1 HIS 5 HD1 HIS 5 69.292 -18.161 -12.877 43 HD2 HIS 5 HD2 HIS 5 68.982 -20.421 -16.366 44 HE1 HIS 5 HE1 HIS 5 68.245 -20.369 -12.210 45 H ALA 6 HN ALA 6 68.036 -17.216 -18.999 46 HA ALA 6 HA ALA 6 68.137 -14.310 -18.795 47 1HB ALA 6 HB1 ALA 6 67.082 -14.313 -20.828 48 2HB ALA 6 HB2 ALA 6 65.965 -15.595 -20.361 49 3HB ALA 6 HB3 ALA 6 67.611 -15.995 -20.850 50 H THR 7 HN THR 7 67.006 -13.226 -17.264 51 HA THR 7 HA THR 7 64.305 -14.277 -16.522 52 HB THR 7 HB THR 7 65.957 -12.740 -14.546 53 HG1 THR 7 HG1 THR 7 67.271 -14.452 -15.341 54 1HG2 THR 7 HG21 THR 7 63.443 -13.983 -14.575 55 2HG2 THR 7 HG22 THR 7 64.293 -13.357 -13.162 56 3HG2 THR 7 HG23 THR 7 64.470 -15.051 -13.619 57 H SER 8 HN SER 8 62.737 -12.804 -16.952 58 HA SER 8 HA SER 8 63.523 -10.023 -17.568 59 1HB SER 8 HB2 SER 8 61.307 -9.789 -18.488 60 2HB SER 8 HB1 SER 8 61.928 -11.349 -19.019 61 HG SER 8 HG SER 8 59.959 -11.812 -18.226 62 H ALA 9 HN ALA 9 63.090 -11.483 -14.768 63 HA ALA 9 HA ALA 9 61.127 -9.617 -13.583 64 1HB ALA 9 HB1 ALA 9 61.282 -10.944 -11.611 65 2HB ALA 9 HB2 ALA 9 62.828 -11.633 -12.106 66 3HB ALA 9 HB3 ALA 9 61.347 -12.095 -12.946 67 H ASP 10 HN ASP 10 61.999 -8.785 -11.270 68 HA ASP 10 HA ASP 10 64.712 -7.613 -11.734 69 1HB ASP 10 HB2 ASP 10 62.435 -6.153 -11.891 70 2HB ASP 10 HB1 ASP 10 62.751 -6.034 -10.160 71 H CYS 11 HN CYS 11 65.708 -9.114 -10.311 72 HA CYS 11 HA CYS 11 64.675 -9.268 -7.536 73 1HB CYS 11 HB2 CYS 11 67.121 -10.663 -8.637 74 2HB CYS 11 HB1 CYS 11 66.145 -11.118 -7.240 75 H CYS 12 HN CYS 12 66.495 -9.174 -5.799 76 HA CYS 12 HA CYS 12 68.176 -6.777 -6.400 77 1HB CYS 12 HB2 CYS 12 66.992 -7.799 -3.806 78 2HB CYS 12 HB1 CYS 12 68.179 -6.497 -3.881 79 H ILE 13 HN ILE 13 70.289 -7.283 -6.679 80 HA ILE 13 HA ILE 13 71.355 -9.790 -5.532 81 HB ILE 13 HB ILE 13 71.900 -9.190 -7.873 82 1HG1 ILE 13 HG12 ILE 13 74.565 -8.982 -7.251 83 2HG1 ILE 13 HG11 ILE 13 73.899 -9.606 -5.741 84 1HG2 ILE 13 HG21 ILE 13 72.581 -7.118 -8.459 85 2HG2 ILE 13 HG22 ILE 13 73.822 -7.099 -7.206 86 3HG2 ILE 13 HG23 ILE 13 72.169 -6.620 -6.818 87 1HD1 ILE 13 HD11 ILE 13 74.223 -11.602 -6.857 88 2HD1 ILE 13 HD12 ILE 13 73.980 -10.874 -8.445 89 3HD1 ILE 13 HD13 ILE 13 72.593 -11.223 -7.413 90 H SER 14 HN SER 14 71.406 -6.366 -4.954 91 HA SER 14 HA SER 14 72.839 -6.779 -2.440 92 1HB SER 14 HB2 SER 14 74.122 -4.718 -4.173 93 2HB SER 14 HB1 SER 14 74.829 -5.715 -2.905 94 HG SER 14 HG SER 14 75.568 -6.709 -4.647 95 H TYR 15 HN TYR 15 72.190 -5.227 -0.973 96 HA TYR 15 HA TYR 15 70.274 -3.201 -1.956 97 1HB TYR 15 HB2 TYR 15 71.052 -3.595 0.928 98 2HB TYR 15 HB1 TYR 15 69.516 -3.036 0.265 99 HD1 TYR 15 HD1 TYR 15 71.592 -5.954 1.042 100 HD2 TYR 15 HD2 TYR 15 67.936 -4.621 -0.777 101 HE1 TYR 15 HE1 TYR 15 70.737 -8.282 1.055 102 HE2 TYR 15 HE2 TYR 15 67.081 -6.949 -0.765 103 HH TYR 15 HH TYR 15 67.651 -9.106 0.780 104 H THR 16 HN THR 16 70.479 -0.941 -1.280 105 HA THR 16 HA THR 16 73.019 0.194 -1.784 106 HB THR 16 HB THR 16 70.842 1.415 -1.927 107 HG1 THR 16 HG1 THR 16 72.437 2.827 -1.907 108 1HG2 THR 16 HG21 THR 16 70.375 0.430 0.564 109 2HG2 THR 16 HG22 THR 16 69.532 1.826 -0.108 110 3HG2 THR 16 HG23 THR 16 70.916 2.061 0.960 111 HA PRO 17 HA PRO 17 74.699 -0.808 2.274 112 1HB PRO 17 HB2 PRO 17 77.310 -0.367 1.530 113 2HB PRO 17 HB1 PRO 17 76.445 -1.882 1.218 114 1HG PRO 17 HG2 PRO 17 77.158 0.299 -0.687 115 2HG PRO 17 HG1 PRO 17 76.897 -1.425 -1.002 116 1HD PRO 17 HD2 PRO 17 75.046 0.649 -1.525 117 2HD PRO 17 HD1 PRO 17 74.685 -1.091 -1.506 118 H ARG 18 HN ARG 18 73.490 1.521 2.438 119 HA ARG 18 HA ARG 18 75.445 3.296 3.688 120 1HB ARG 18 HB2 ARG 18 74.127 3.985 1.074 121 2HB ARG 18 HB1 ARG 18 74.484 5.263 2.236 122 1HG ARG 18 HG2 ARG 18 76.862 4.294 2.327 123 2HG ARG 18 HG1 ARG 18 76.422 3.382 0.882 124 1HD ARG 18 HD2 ARG 18 77.556 5.655 0.500 125 2HD ARG 18 HD1 ARG 18 76.061 5.359 -0.388 126 HE ARG 18 HE ARG 18 76.123 6.955 2.144 127 1HH1 ARG 18 HH21 ARG 18 73.477 6.179 0.940 128 2HH1 ARG 18 HH22 ARG 18 73.095 7.575 -0.011 129 1HH2 ARG 18 HH11 ARG 18 76.328 8.827 0.049 130 2HH2 ARG 18 HH12 ARG 18 74.710 9.075 -0.516 131 H SER 19 HN SER 19 74.447 4.465 5.309 132 HA SER 19 HA SER 19 71.677 3.856 5.918 133 1HB SER 19 HB2 SER 19 73.435 5.973 7.187 134 2HB SER 19 HB1 SER 19 72.005 5.220 7.888 135 HG SER 19 HG SER 19 74.527 4.065 7.313 136 H ILE 20 HN ILE 20 70.113 4.779 4.656 137 HA ILE 20 HA ILE 20 70.477 7.602 3.790 138 HB ILE 20 HB ILE 20 68.481 5.489 2.920 139 1HG1 ILE 20 HG12 ILE 20 70.149 6.476 0.823 140 2HG1 ILE 20 HG11 ILE 20 71.193 6.038 2.175 141 1HG2 ILE 20 HG21 ILE 20 67.632 7.058 1.359 142 2HG2 ILE 20 HG22 ILE 20 68.984 8.163 1.610 143 3HG2 ILE 20 HG23 ILE 20 67.760 7.968 2.865 144 1HD1 ILE 20 HD11 ILE 20 70.605 4.170 0.498 145 2HD1 ILE 20 HD12 ILE 20 68.997 4.200 1.221 146 3HD1 ILE 20 HD13 ILE 20 70.401 3.805 2.211 147 HA PRO 21 HA PRO 21 67.548 8.838 6.855 148 1HB PRO 21 HB2 PRO 21 67.101 11.371 5.882 149 2HB PRO 21 HB1 PRO 21 68.557 10.910 6.781 150 1HG PRO 21 HG2 PRO 21 68.237 11.412 3.860 151 2HG PRO 21 HG1 PRO 21 69.681 11.566 4.873 152 1HD PRO 21 HD2 PRO 21 69.103 9.415 3.125 153 2HD PRO 21 HD1 PRO 21 70.364 9.436 4.376 154 H CYS 22 HN CYS 22 65.342 8.520 6.974 155 HA CYS 22 HA CYS 22 63.774 7.824 4.723 156 1HB CYS 22 HB2 CYS 22 62.977 8.796 7.479 157 2HB CYS 22 HB1 CYS 22 61.836 8.160 6.300 158 H SER 23 HN SER 23 64.736 10.907 5.875 159 HA SER 23 HA SER 23 62.465 12.398 4.826 160 1HB SER 23 HB2 SER 23 65.154 13.079 5.950 161 2HB SER 23 HB1 SER 23 64.315 14.298 4.994 162 HG SER 23 HG SER 23 62.794 14.438 6.486 163 H LEU 24 HN LEU 24 65.072 10.800 3.386 164 HA LEU 24 HA LEU 24 64.962 12.591 0.996 165 1HB LEU 24 HB2 LEU 24 67.139 11.341 2.353 166 2HB LEU 24 HB1 LEU 24 67.005 10.600 0.759 167 HG LEU 24 HG LEU 24 68.447 12.564 0.613 168 1HD1 LEU 24 HD11 LEU 24 65.820 13.463 -0.549 169 2HD1 LEU 24 HD12 LEU 24 66.599 11.999 -1.150 170 3HD1 LEU 24 HD13 LEU 24 67.432 13.550 -1.257 171 1HD2 LEU 24 HD21 LEU 24 66.051 14.080 1.701 172 2HD2 LEU 24 HD22 LEU 24 67.571 14.801 1.172 173 3HD2 LEU 24 HD23 LEU 24 67.539 13.752 2.589 174 H LEU 25 HN LEU 25 63.039 10.403 1.837 175 HA LEU 25 HA LEU 25 63.284 8.765 -0.655 176 1HB LEU 25 HB2 LEU 25 62.208 7.911 2.051 177 2HB LEU 25 HB1 LEU 25 62.149 6.929 0.587 178 HG LEU 25 HG LEU 25 64.721 8.027 1.749 179 1HD1 LEU 25 HD11 LEU 25 63.611 5.217 2.006 180 2HD1 LEU 25 HD12 LEU 25 63.538 6.422 3.292 181 3HD1 LEU 25 HD13 LEU 25 65.100 5.840 2.716 182 1HD2 LEU 25 HD21 LEU 25 64.533 7.367 -0.721 183 2HD2 LEU 25 HD22 LEU 25 64.286 5.715 -0.155 184 3HD2 LEU 25 HD23 LEU 25 65.795 6.553 0.204 185 H GLU 26 HN GLU 26 61.360 8.489 -1.832 186 HA GLU 26 HA GLU 26 59.121 10.259 -0.972 187 1HB GLU 26 HB2 GLU 26 60.317 9.529 -3.559 188 2HB GLU 26 HB1 GLU 26 58.553 9.484 -3.555 189 1HG GLU 26 HG2 GLU 26 58.703 11.790 -2.380 190 2HG GLU 26 HG1 GLU 26 60.372 11.811 -2.950 191 H SER 27 HN SER 27 59.947 6.937 -1.701 192 HA SER 27 HA SER 27 57.632 5.906 -0.382 193 1HB SER 27 HB2 SER 27 57.240 6.662 -3.142 194 2HB SER 27 HB1 SER 27 57.068 4.918 -2.968 195 HG SER 27 HG SER 27 55.452 5.215 -1.534 196 H TYR 28 HN TYR 28 57.523 3.503 -0.593 197 HA TYR 28 HA TYR 28 59.892 2.254 -1.870 198 1HB TYR 28 HB2 TYR 28 60.587 1.137 0.158 199 2HB TYR 28 HB1 TYR 28 60.491 2.862 0.509 200 HD1 TYR 28 HD1 TYR 28 59.302 -0.417 1.389 201 HD2 TYR 28 HD2 TYR 28 58.328 3.763 1.559 202 HE1 TYR 28 HE1 TYR 28 57.661 -0.872 3.191 203 HE2 TYR 28 HE2 TYR 28 56.687 3.307 3.361 204 HH TYR 28 HH TYR 28 55.335 1.377 4.169 205 H PHE 29 HN PHE 29 59.642 -0.129 -1.989 206 HA PHE 29 HA PHE 29 57.076 -1.306 -1.234 207 1HB PHE 29 HB2 PHE 29 56.614 -1.918 -3.707 208 2HB PHE 29 HB1 PHE 29 56.211 -0.282 -3.183 209 HD1 PHE 29 HD1 PHE 29 58.216 -2.292 -5.415 210 HD2 PHE 29 HD2 PHE 29 57.898 1.584 -3.590 211 HE1 PHE 29 HE1 PHE 29 59.760 -1.363 -7.119 212 HE2 PHE 29 HE2 PHE 29 59.442 2.513 -5.294 213 HZ PHE 29 HZ PHE 29 60.373 1.039 -7.058 214 H GLU 30 HN GLU 30 56.984 -3.605 -2.446 215 HA GLU 30 HA GLU 30 59.637 -4.820 -1.936 216 1HB GLU 30 HB2 GLU 30 56.953 -6.126 -2.489 217 2HB GLU 30 HB1 GLU 30 58.422 -6.957 -1.976 218 1HG GLU 30 HG2 GLU 30 58.226 -6.252 0.188 219 2HG GLU 30 HG1 GLU 30 57.593 -4.674 -0.279 220 H THR 31 HN THR 31 60.687 -6.143 -3.509 221 HA THR 31 HA THR 31 60.527 -5.216 -6.209 222 HB THR 31 HB THR 31 61.857 -7.476 -6.582 223 HG1 THR 31 HG1 THR 31 62.832 -8.037 -4.534 224 1HG2 THR 31 HG21 THR 31 63.394 -5.769 -4.754 225 2HG2 THR 31 HG22 THR 31 62.539 -4.869 -6.007 226 3HG2 THR 31 HG23 THR 31 63.679 -6.139 -6.454 227 H ASN 32 HN ASN 32 60.384 -7.176 -7.980 228 HA ASN 32 HA ASN 32 57.598 -7.830 -8.134 229 1HB ASN 32 HB2 ASN 32 60.053 -8.522 -9.692 230 2HB ASN 32 HB1 ASN 32 58.622 -9.526 -9.930 231 1HD2 ASN 32 HD21 ASN 32 59.142 -8.215 -12.176 232 2HD2 ASN 32 HD22 ASN 32 58.199 -6.817 -12.372 233 H SER 33 HN SER 33 56.504 -9.695 -7.556 234 HA SER 33 HA SER 33 57.766 -11.459 -5.628 235 1HB SER 33 HB2 SER 33 55.142 -10.769 -6.292 236 2HB SER 33 HB1 SER 33 55.271 -12.463 -6.755 237 HG SER 33 HG SER 33 56.142 -12.841 -4.641 238 H GLU 34 HN GLU 34 57.578 -11.427 -9.037 239 HA GLU 34 HA GLU 34 57.634 -14.295 -9.471 240 1HB GLU 34 HB2 GLU 34 58.128 -11.860 -11.151 241 2HB GLU 34 HB1 GLU 34 58.657 -13.432 -11.750 242 1HG GLU 34 HG2 GLU 34 55.843 -12.704 -10.884 243 2HG GLU 34 HG1 GLU 34 56.386 -12.974 -12.540 244 H CYS 35 HN CYS 35 59.901 -12.123 -8.231 245 HA CYS 35 HA CYS 35 62.296 -13.338 -9.357 246 1HB CYS 35 HB2 CYS 35 61.661 -11.242 -7.364 247 2HB CYS 35 HB1 CYS 35 63.165 -12.119 -7.080 248 H SER 36 HN SER 36 63.909 -14.467 -7.919 249 HA SER 36 HA SER 36 62.578 -16.635 -6.487 250 1HB SER 36 HB2 SER 36 65.158 -16.167 -7.667 251 2HB SER 36 HB1 SER 36 65.376 -16.698 -6.002 252 HG SER 36 HG SER 36 65.183 -18.434 -7.529 253 H LYS 37 HN LYS 37 64.684 -13.901 -5.604 254 HA LYS 37 HA LYS 37 64.035 -14.468 -2.743 255 1HB LYS 37 HB2 LYS 37 66.414 -13.211 -4.092 256 2HB LYS 37 HB1 LYS 37 66.047 -12.825 -2.410 257 1HG LYS 37 HG2 LYS 37 66.427 -15.005 -1.684 258 2HG LYS 37 HG1 LYS 37 66.096 -15.699 -3.272 259 1HD LYS 37 HD2 LYS 37 68.546 -15.690 -2.575 260 2HD LYS 37 HD1 LYS 37 68.200 -14.949 -4.138 261 1HE LYS 37 HE2 LYS 37 69.010 -12.971 -3.437 262 2HE LYS 37 HE1 LYS 37 67.931 -12.982 -2.042 263 1HZ LYS 37 HZ1 LYS 37 69.568 -14.577 -1.014 264 2HZ LYS 37 HZ2 LYS 37 70.096 -12.970 -1.180 265 3HZ LYS 37 HZ3 LYS 37 70.637 -14.161 -2.264 266 HA PRO 38 HA PRO 38 61.714 -10.710 -2.845 267 1HB PRO 38 HB2 PRO 38 61.374 -10.461 -0.129 268 2HB PRO 38 HB1 PRO 38 60.465 -11.609 -1.128 269 1HG PRO 38 HG2 PRO 38 62.703 -12.137 0.770 270 2HG PRO 38 HG1 PRO 38 61.399 -13.215 0.246 271 1HD PRO 38 HD2 PRO 38 64.072 -13.255 -0.697 272 2HD PRO 38 HD1 PRO 38 62.692 -14.105 -1.424 273 H GLY 39 HN GLY 39 61.810 -8.494 -1.580 274 1HA GLY 39 HA2 GLY 39 64.119 -7.659 -0.211 275 2HA GLY 39 HA1 GLY 39 64.377 -7.359 -1.925 276 H VAL 40 HN VAL 40 64.317 -5.164 -0.328 277 HA VAL 40 HA VAL 40 61.575 -4.037 -0.730 278 HB VAL 40 HB VAL 40 63.695 -2.879 1.085 279 1HG1 VAL 40 HG11 VAL 40 62.076 -1.280 1.088 280 2HG1 VAL 40 HG12 VAL 40 61.220 -2.389 2.159 281 3HG1 VAL 40 HG13 VAL 40 60.861 -2.377 0.433 282 1HG2 VAL 40 HG21 VAL 40 63.463 -4.996 2.060 283 2HG2 VAL 40 HG22 VAL 40 61.783 -5.157 1.546 284 3HG2 VAL 40 HG23 VAL 40 62.198 -4.080 2.879 285 H ILE 41 HN ILE 41 61.411 -2.010 -1.777 286 HA ILE 41 HA ILE 41 63.930 -1.083 -3.101 287 HB ILE 41 HB ILE 41 61.112 -0.834 -4.189 288 1HG1 ILE 41 HG12 ILE 41 61.611 -3.183 -4.141 289 2HG1 ILE 41 HG11 ILE 41 61.927 -2.641 -5.790 290 1HG2 ILE 41 HG21 ILE 41 62.546 0.824 -5.143 291 2HG2 ILE 41 HG22 ILE 41 62.464 -0.478 -6.329 292 3HG2 ILE 41 HG23 ILE 41 63.882 -0.317 -5.292 293 1HD1 ILE 41 HD11 ILE 41 64.355 -2.192 -4.618 294 2HD1 ILE 41 HD12 ILE 41 63.939 -3.663 -5.496 295 3HD1 ILE 41 HD13 ILE 41 63.812 -3.620 -3.738 296 H PHE 42 HN PHE 42 64.533 0.851 -2.261 297 HA PHE 42 HA PHE 42 62.460 2.615 -1.080 298 1HB PHE 42 HB2 PHE 42 65.424 2.336 -0.816 299 2HB PHE 42 HB1 PHE 42 64.723 3.931 -0.542 300 HD1 PHE 42 HD1 PHE 42 62.758 0.900 0.098 301 HD2 PHE 42 HD2 PHE 42 65.301 3.883 1.855 302 HE1 PHE 42 HE1 PHE 42 62.025 0.193 2.359 303 HE2 PHE 42 HE2 PHE 42 64.569 3.176 4.116 304 HZ PHE 42 HZ PHE 42 62.931 1.330 4.368 305 H LEU 43 HN LEU 43 61.708 4.330 -2.219 306 HA LEU 43 HA LEU 43 63.154 5.110 -4.698 307 1HB LEU 43 HB2 LEU 43 60.637 4.521 -4.626 308 2HB LEU 43 HB1 LEU 43 60.429 6.089 -3.846 309 HG LEU 43 HG LEU 43 62.136 6.200 -6.231 310 1HD1 LEU 43 HD11 LEU 43 59.618 6.155 -7.411 311 2HD1 LEU 43 HD12 LEU 43 59.592 4.760 -6.332 312 3HD1 LEU 43 HD13 LEU 43 60.849 4.901 -7.562 313 1HD2 LEU 43 HD21 LEU 43 59.612 7.642 -5.353 314 2HD2 LEU 43 HD22 LEU 43 60.635 8.120 -6.708 315 3HD2 LEU 43 HD23 LEU 43 61.265 8.183 -5.062 316 H THR 44 HN THR 44 64.162 7.079 -4.839 317 HA THR 44 HA THR 44 63.963 8.862 -2.461 318 HB THR 44 HB THR 44 66.112 9.696 -3.042 319 HG1 THR 44 HG1 THR 44 66.727 9.828 -5.041 320 1HG2 THR 44 HG21 THR 44 65.671 6.952 -2.713 321 2HG2 THR 44 HG22 THR 44 67.199 7.804 -2.489 322 3HG2 THR 44 HG23 THR 44 66.822 7.064 -4.045 323 H LYS 45 HN LYS 45 64.269 11.287 -3.097 324 HA LYS 45 HA LYS 45 62.101 11.953 -4.945 325 1HB LYS 45 HB2 LYS 45 62.643 13.157 -2.744 326 2HB LYS 45 HB1 LYS 45 63.986 13.904 -3.611 327 1HG LYS 45 HG2 LYS 45 62.513 15.463 -4.314 328 2HG LYS 45 HG1 LYS 45 61.818 14.207 -5.340 329 1HD LYS 45 HD2 LYS 45 59.958 14.069 -4.068 330 2HD LYS 45 HD1 LYS 45 60.900 13.990 -2.578 331 1HE LYS 45 HE2 LYS 45 61.286 16.522 -2.910 332 2HE LYS 45 HE1 LYS 45 59.960 16.439 -4.070 333 1HZ LYS 45 HZ1 LYS 45 59.542 15.185 -1.469 334 2HZ LYS 45 HZ2 LYS 45 58.447 16.023 -2.461 335 3HZ LYS 45 HZ3 LYS 45 59.563 16.881 -1.510 336 H LYS 46 HN LYS 46 65.142 11.033 -5.572 337 HA LYS 46 HA LYS 46 65.518 13.040 -7.756 338 1HB LYS 46 HB2 LYS 46 67.468 11.351 -6.191 339 2HB LYS 46 HB1 LYS 46 67.904 12.026 -7.761 340 1HG LYS 46 HG2 LYS 46 68.403 13.961 -6.727 341 2HG LYS 46 HG1 LYS 46 66.693 14.134 -6.330 342 1HD LYS 46 HD2 LYS 46 67.126 12.649 -4.313 343 2HD LYS 46 HD1 LYS 46 68.848 12.818 -4.660 344 1HE LYS 46 HE2 LYS 46 67.433 15.383 -4.670 345 2HE LYS 46 HE1 LYS 46 67.346 14.559 -3.113 346 1HZ LYS 46 HZ1 LYS 46 69.750 15.378 -4.624 347 2HZ LYS 46 HZ2 LYS 46 69.827 14.205 -3.397 348 3HZ LYS 46 HZ3 LYS 46 69.313 15.784 -3.036 349 H GLY 47 HN GLY 47 63.713 10.738 -7.866 350 1HA GLY 47 HA2 GLY 47 63.177 8.978 -9.309 351 2HA GLY 47 HA1 GLY 47 64.295 9.751 -10.430 352 H ARG 48 HN ARG 48 65.397 8.684 -7.302 353 HA ARG 48 HA ARG 48 66.974 6.547 -8.675 354 1HB ARG 48 HB2 ARG 48 67.995 8.618 -7.304 355 2HB ARG 48 HB1 ARG 48 67.735 7.509 -5.957 356 1HG ARG 48 HG2 ARG 48 69.339 6.047 -6.676 357 2HG ARG 48 HG1 ARG 48 68.969 6.322 -8.378 358 1HD ARG 48 HD2 ARG 48 70.112 8.651 -6.962 359 2HD ARG 48 HD1 ARG 48 71.204 7.277 -7.138 360 HE ARG 48 HE ARG 48 70.940 7.464 -9.572 361 1HH1 ARG 48 HH21 ARG 48 71.060 10.274 -7.872 362 2HH1 ARG 48 HH22 ARG 48 70.281 11.269 -9.055 363 1HH2 ARG 48 HH11 ARG 48 69.265 8.599 -11.020 364 2HH2 ARG 48 HH12 ARG 48 69.265 10.322 -10.838 365 H ARG 49 HN ARG 49 66.686 4.457 -8.003 366 HA ARG 49 HA ARG 49 65.239 4.005 -5.432 367 1HB ARG 49 HB2 ARG 49 64.668 2.246 -7.792 368 2HB ARG 49 HB1 ARG 49 63.647 2.614 -6.402 369 1HG ARG 49 HG2 ARG 49 62.619 3.868 -8.083 370 2HG ARG 49 HG1 ARG 49 63.700 5.059 -7.359 371 1HD ARG 49 HD2 ARG 49 64.493 5.367 -9.459 372 2HD ARG 49 HD1 ARG 49 65.325 3.829 -9.226 373 HE ARG 49 HE ARG 49 63.760 2.815 -10.685 374 1HH1 ARG 49 HH11 ARG 49 62.410 5.640 -9.295 375 2HH1 ARG 49 HH12 ARG 49 61.227 5.861 -10.540 376 1HH2 ARG 49 HH21 ARG 49 62.376 3.217 -12.467 377 2HH2 ARG 49 HH22 ARG 49 61.208 4.489 -12.337 378 H PHE 50 HN PHE 50 66.238 2.481 -4.195 379 HA PHE 50 HA PHE 50 68.064 0.549 -5.556 380 1HB PHE 50 HB2 PHE 50 69.408 0.859 -3.277 381 2HB PHE 50 HB1 PHE 50 69.687 1.929 -4.650 382 HD1 PHE 50 HD1 PHE 50 69.477 4.240 -4.365 383 HD2 PHE 50 HD2 PHE 50 67.493 1.591 -1.627 384 HE1 PHE 50 HE1 PHE 50 68.766 6.184 -2.999 385 HE2 PHE 50 HE2 PHE 50 66.782 3.534 -0.261 386 HZ PHE 50 HZ PHE 50 67.419 5.831 -0.946 387 H CYS 51 HN CYS 51 68.392 -1.443 -4.314 388 HA CYS 51 HA CYS 51 65.963 -2.335 -3.024 389 1HB CYS 51 HB2 CYS 51 68.692 -3.612 -3.341 390 2HB CYS 51 HB1 CYS 51 67.293 -4.434 -2.660 391 H ALA 52 HN ALA 52 65.909 -3.245 -0.810 392 HA ALA 52 HA ALA 52 67.977 -2.211 1.045 393 1HB ALA 52 HB1 ALA 52 66.547 -0.878 2.310 394 2HB ALA 52 HB2 ALA 52 65.103 -1.725 1.755 395 3HB ALA 52 HB3 ALA 52 65.921 -0.585 0.687 396 H ASN 53 HN ASN 53 68.223 -3.553 2.837 397 HA ASN 53 HA ASN 53 66.899 -6.142 2.723 398 1HB ASN 53 HB2 ASN 53 69.320 -5.626 3.473 399 2HB ASN 53 HB1 ASN 53 68.597 -5.152 5.010 400 1HD2 ASN 53 HD21 ASN 53 68.004 -7.874 2.702 401 2HD2 ASN 53 HD22 ASN 53 68.072 -9.084 3.890 402 HA PRO 54 HA PRO 54 63.571 -4.918 5.389 403 1HB PRO 54 HB2 PRO 54 62.497 -7.432 5.693 404 2HB PRO 54 HB1 PRO 54 62.260 -6.432 4.249 405 1HG PRO 54 HG2 PRO 54 64.015 -8.818 4.614 406 2HG PRO 54 HG1 PRO 54 63.252 -8.201 3.139 407 1HD PRO 54 HD2 PRO 54 65.961 -7.856 3.856 408 2HD PRO 54 HD1 PRO 54 65.097 -6.950 2.595 409 H SER 55 HN SER 55 66.223 -6.867 6.200 410 HA SER 55 HA SER 55 65.297 -7.302 8.989 411 1HB SER 55 HB2 SER 55 67.438 -8.441 7.262 412 2HB SER 55 HB1 SER 55 67.791 -8.321 8.983 413 HG SER 55 HG SER 55 66.756 -10.221 8.803 414 H ASP 56 HN ASP 56 66.708 -4.863 7.259 415 HA ASP 56 HA ASP 56 68.783 -4.109 9.185 416 1HB ASP 56 HB2 ASP 56 68.944 -3.512 6.772 417 2HB ASP 56 HB1 ASP 56 67.521 -2.486 6.954 418 H LYS 57 HN LYS 57 68.450 -2.893 10.991 419 HA LYS 57 HA LYS 57 65.882 -2.307 12.000 420 1HB LYS 57 HB2 LYS 57 67.083 -0.737 13.555 421 2HB LYS 57 HB1 LYS 57 67.809 -2.343 13.473 422 1HG LYS 57 HG2 LYS 57 69.460 -1.512 11.834 423 2HG LYS 57 HG1 LYS 57 68.744 0.097 11.934 424 1HD LYS 57 HD2 LYS 57 69.166 -0.154 14.504 425 2HD LYS 57 HD1 LYS 57 70.313 -1.402 14.016 426 1HE LYS 57 HE2 LYS 57 71.819 0.167 13.445 427 2HE LYS 57 HE1 LYS 57 70.665 0.896 12.328 428 1HZ LYS 57 HZ1 LYS 57 71.462 1.758 14.933 429 2HZ LYS 57 HZ2 LYS 57 69.773 1.632 14.798 430 3HZ LYS 57 HZ3 LYS 57 70.644 2.612 13.718 431 H GLN 58 HN GLN 58 68.108 -0.234 10.151 432 HA GLN 58 HA GLN 58 66.455 2.119 10.298 433 1HB GLN 58 HB2 GLN 58 68.861 1.254 8.824 434 2HB GLN 58 HB1 GLN 58 67.859 2.422 7.962 435 1HG GLN 58 HG2 GLN 58 68.081 3.187 10.737 436 2HG GLN 58 HG1 GLN 58 69.689 2.956 10.048 437 1HE2 GLN 58 HE21 GLN 58 69.125 5.557 10.643 438 2HE2 GLN 58 HE22 GLN 58 68.754 6.448 9.247 439 H VAL 59 HN VAL 59 66.355 -0.753 8.331 440 HA VAL 59 HA VAL 59 64.677 0.445 6.257 441 HB VAL 59 HB VAL 59 65.452 -2.404 6.920 442 1HG1 VAL 59 HG11 VAL 59 63.332 -1.337 5.132 443 2HG1 VAL 59 HG12 VAL 59 63.463 -2.917 5.906 444 3HG1 VAL 59 HG13 VAL 59 64.380 -2.575 4.439 445 1HG2 VAL 59 HG21 VAL 59 66.934 -0.524 5.731 446 2HG2 VAL 59 HG22 VAL 59 65.988 -1.015 4.326 447 3HG2 VAL 59 HG23 VAL 59 66.971 -2.200 5.185 448 H GLN 60 HN GLN 60 64.162 -1.686 9.070 449 HA GLN 60 HA GLN 60 61.321 -1.939 8.665 450 1HB GLN 60 HB2 GLN 60 61.266 -2.814 10.939 451 2HB GLN 60 HB1 GLN 60 62.678 -3.469 10.109 452 1HG GLN 60 HG2 GLN 60 64.169 -2.102 11.289 453 2HG GLN 60 HG1 GLN 60 62.918 -0.931 11.705 454 1HE2 GLN 60 HE21 GLN 60 64.756 -3.384 13.041 455 2HE2 GLN 60 HE22 GLN 60 63.731 -3.826 14.319 456 H VAL 61 HN VAL 61 63.354 0.485 10.166 457 HA VAL 61 HA VAL 61 61.189 1.797 11.600 458 HB VAL 61 HB VAL 61 63.933 2.797 10.774 459 1HG1 VAL 61 HG11 VAL 61 62.369 3.974 13.029 460 2HG1 VAL 61 HG12 VAL 61 61.899 4.424 11.390 461 3HG1 VAL 61 HG13 VAL 61 63.540 4.740 11.956 462 1HG2 VAL 61 HG21 VAL 61 63.293 0.833 12.590 463 2HG2 VAL 61 HG22 VAL 61 63.300 2.274 13.606 464 3HG2 VAL 61 HG23 VAL 61 64.736 1.843 12.678 465 H CYS 62 HN CYS 62 62.783 2.229 8.457 466 HA CYS 62 HA CYS 62 61.322 4.637 7.782 467 1HB CYS 62 HB2 CYS 62 63.491 3.344 6.714 468 2HB CYS 62 HB1 CYS 62 62.230 2.931 5.552 469 H MET 63 HN MET 63 60.620 1.233 7.642 470 HA MET 63 HA MET 63 58.627 1.232 5.605 471 1HB MET 63 HB2 MET 63 59.045 -0.461 8.073 472 2HB MET 63 HB1 MET 63 57.688 -0.737 6.980 473 1HG MET 63 HG2 MET 63 60.145 -0.427 5.479 474 2HG MET 63 HG1 MET 63 60.316 -1.702 6.684 475 1HE MET 63 HE1 MET 63 59.672 -3.777 3.583 476 2HE MET 63 HE2 MET 63 60.218 -4.005 5.242 477 3HE MET 63 HE3 MET 63 60.841 -2.656 4.295 478 H ARG 64 HN ARG 64 58.183 1.448 9.158 479 HA ARG 64 HA ARG 64 55.395 2.201 8.895 480 1HB ARG 64 HB2 ARG 64 56.513 1.087 10.917 481 2HB ARG 64 HB1 ARG 64 57.147 2.686 11.312 482 1HG ARG 64 HG2 ARG 64 54.454 3.158 10.787 483 2HG ARG 64 HG1 ARG 64 54.448 1.628 11.665 484 1HD ARG 64 HD2 ARG 64 54.327 3.593 13.192 485 2HD ARG 64 HD1 ARG 64 55.770 2.617 13.468 486 HE ARG 64 HE ARG 64 56.406 4.668 11.589 487 1HH1 ARG 64 HH11 ARG 64 54.720 5.184 14.406 488 2HH1 ARG 64 HH12 ARG 64 55.942 6.126 15.192 489 1HH2 ARG 64 HH21 ARG 64 58.368 5.455 12.806 490 2HH2 ARG 64 HH22 ARG 64 58.008 6.279 14.286 491 H MET 65 HN MET 65 58.396 3.910 8.773 492 HA MET 65 HA MET 65 57.454 6.495 9.614 493 1HB MET 65 HB2 MET 65 59.876 5.812 9.364 494 2HB MET 65 HB1 MET 65 59.659 5.920 7.616 495 1HG MET 65 HG2 MET 65 60.440 8.058 8.088 496 2HG MET 65 HG1 MET 65 58.698 8.312 8.193 497 1HE MET 65 HE1 MET 65 61.954 8.202 11.224 498 2HE MET 65 HE2 MET 65 61.700 9.667 10.278 499 3HE MET 65 HE3 MET 65 61.933 8.126 9.457 500 H LEU 66 HN LEU 66 58.190 5.376 6.285 501 HA LEU 66 HA LEU 66 56.909 7.503 4.946 502 1HB LEU 66 HB2 LEU 66 57.611 4.686 4.233 503 2HB LEU 66 HB1 LEU 66 56.509 5.554 3.163 504 HG LEU 66 HG LEU 66 58.579 7.372 3.788 505 1HD1 LEU 66 HD11 LEU 66 60.364 5.694 2.596 506 2HD1 LEU 66 HD12 LEU 66 59.489 4.558 3.624 507 3HD1 LEU 66 HD13 LEU 66 60.287 5.960 4.337 508 1HD2 LEU 66 HD21 LEU 66 58.151 7.698 1.600 509 2HD2 LEU 66 HD22 LEU 66 57.285 6.163 1.520 510 3HD2 LEU 66 HD23 LEU 66 59.024 6.211 1.231 511 H LYS 67 HN LYS 67 55.557 4.656 6.478 512 HA LYS 67 HA LYS 67 52.956 4.813 5.236 513 1HB LYS 67 HB2 LYS 67 54.052 3.482 7.704 514 2HB LYS 67 HB1 LYS 67 52.313 3.511 7.412 515 1HG LYS 67 HG2 LYS 67 53.882 2.759 5.045 516 2HG LYS 67 HG1 LYS 67 54.052 1.631 6.390 517 1HD LYS 67 HD2 LYS 67 52.123 0.743 5.559 518 2HD LYS 67 HD1 LYS 67 51.365 2.066 6.446 519 1HE LYS 67 HE2 LYS 67 51.048 3.351 4.528 520 2HE LYS 67 HE1 LYS 67 52.356 2.552 3.655 521 1HZ LYS 67 HZ1 LYS 67 49.685 1.982 3.463 522 2HZ LYS 67 HZ2 LYS 67 50.310 0.717 4.409 523 3HZ LYS 67 HZ3 LYS 67 50.961 1.034 2.872 524 H LEU 68 HN LEU 68 50.970 5.545 6.318 525 HA LEU 68 HA LEU 68 51.442 8.054 7.799 526 1HB LEU 68 HB2 LEU 68 48.829 6.836 6.857 527 2HB LEU 68 HB1 LEU 68 49.079 8.494 7.405 528 HG LEU 68 HG LEU 68 50.988 7.903 5.343 529 1HD1 LEU 68 HD11 LEU 68 48.172 7.670 4.315 530 2HD1 LEU 68 HD12 LEU 68 49.031 6.224 4.846 531 3HD1 LEU 68 HD13 LEU 68 49.682 7.204 3.533 532 1HD2 LEU 68 HD21 LEU 68 50.523 10.096 5.107 533 2HD2 LEU 68 HD22 LEU 68 49.113 9.936 6.155 534 3HD2 LEU 68 HD23 LEU 68 48.958 9.660 4.420 535 H ASP 69 HN ASP 69 52.201 5.999 9.409 536 HA ASP 69 HA ASP 69 49.981 5.062 11.064 537 1HB ASP 69 HB2 ASP 69 52.240 3.874 10.670 538 2HB ASP 69 HB1 ASP 69 52.900 5.018 11.839 539 H THR 70 HN THR 70 49.644 7.728 11.027 540 HA THR 70 HA THR 70 50.274 8.486 13.814 541 HB THR 70 HB THR 70 50.813 10.868 12.702 542 HG1 THR 70 HG1 THR 70 51.746 8.933 10.851 543 1HG2 THR 70 HG21 THR 70 52.668 8.533 13.175 544 2HG2 THR 70 HG22 THR 70 52.321 9.883 14.256 545 3HG2 THR 70 HG23 THR 70 53.268 10.146 12.791 546 H ARG 71 HN ARG 71 47.806 7.778 13.158 547 HA ARG 71 HA ARG 71 46.366 10.370 12.753 548 1HB ARG 71 HB2 ARG 71 45.541 7.599 11.832 549 2HB ARG 71 HB1 ARG 71 44.525 9.037 11.723 550 1HG ARG 71 HG2 ARG 71 46.790 9.964 10.549 551 2HG ARG 71 HG1 ARG 71 46.880 8.261 10.099 552 1HD ARG 71 HD2 ARG 71 45.599 9.146 8.356 553 2HD ARG 71 HD1 ARG 71 44.354 8.572 9.466 554 HE ARG 71 HE ARG 71 43.652 10.819 9.449 555 1HH1 ARG 71 HH21 ARG 71 46.411 11.248 7.845 556 2HH1 ARG 71 HH22 ARG 71 46.973 12.648 8.696 557 1HH2 ARG 71 HH11 ARG 71 44.661 12.343 11.262 558 2HH2 ARG 71 HH12 ARG 71 45.982 13.268 10.631 559 H ILE 72 HN ILE 72 46.009 10.787 14.950 560 HA ILE 72 HA ILE 72 44.183 8.862 16.308 561 HB ILE 72 HB ILE 72 45.390 9.319 18.455 562 1HG1 ILE 72 HG12 ILE 72 47.809 10.216 17.000 563 2HG1 ILE 72 HG11 ILE 72 46.513 11.409 17.100 564 1HG2 ILE 72 HG21 ILE 72 47.574 8.070 17.621 565 2HG2 ILE 72 HG22 ILE 72 46.667 7.950 16.114 566 3HG2 ILE 72 HG23 ILE 72 46.011 7.253 17.595 567 1HD1 ILE 72 HD11 ILE 72 48.132 10.180 19.290 568 2HD1 ILE 72 HD12 ILE 72 46.454 10.597 19.639 569 3HD1 ILE 72 HD13 ILE 72 47.579 11.844 19.102 570 H LYS 73 HN LYS 73 43.479 11.248 14.922 571 HA LYS 73 HA LYS 73 43.128 13.350 16.952 572 1HB LYS 73 HB2 LYS 73 43.546 13.805 14.484 573 2HB LYS 73 HB1 LYS 73 41.906 13.228 14.185 574 1HG LYS 73 HG2 LYS 73 41.504 15.499 14.443 575 2HG LYS 73 HG1 LYS 73 41.300 14.949 16.108 576 1HD LYS 73 HD2 LYS 73 43.977 15.365 16.084 577 2HD LYS 73 HD1 LYS 73 43.471 16.577 14.906 578 1HE LYS 73 HE2 LYS 73 43.006 17.889 16.691 579 2HE LYS 73 HE1 LYS 73 41.594 16.857 16.922 580 1HZ LYS 73 HZ1 LYS 73 42.468 16.048 18.773 581 2HZ LYS 73 HZ2 LYS 73 43.728 17.180 18.644 582 3HZ LYS 73 HZ3 LYS 73 43.910 15.625 17.985 583 H THR 74 HN THR 74 41.514 13.131 18.420 584 HA THR 74 HA THR 74 39.244 11.353 17.904 585 HB THR 74 HB THR 74 40.361 11.644 20.166 586 HG1 THR 74 HG1 THR 74 38.530 10.965 20.901 587 1HG2 THR 74 HG21 THR 74 39.819 14.362 19.604 588 2HG2 THR 74 HG22 THR 74 40.521 13.692 21.076 589 3HG2 THR 74 HG23 THR 74 38.776 13.917 20.954 590 H ARG 75 HN ARG 75 37.003 12.411 18.701 591 HA ARG 75 HA ARG 75 36.572 14.701 16.868 592 1HB ARG 75 HB2 ARG 75 35.120 12.527 16.995 593 2HB ARG 75 HB1 ARG 75 34.394 13.301 18.404 594 1HG ARG 75 HG2 ARG 75 33.127 14.580 17.060 595 2HG ARG 75 HG1 ARG 75 34.581 15.250 16.319 596 1HD ARG 75 HD2 ARG 75 34.086 12.553 15.369 597 2HD ARG 75 HD1 ARG 75 32.688 13.587 15.083 598 HE ARG 75 HE ARG 75 35.417 14.049 13.988 599 1HH1 ARG 75 HH11 ARG 75 32.371 15.434 14.644 600 2HH1 ARG 75 HH12 ARG 75 32.221 16.205 13.100 601 1HH2 ARG 75 HH21 ARG 75 35.108 14.781 11.811 602 2HH2 ARG 75 HH22 ARG 75 33.770 15.835 11.496 603 H LYS 76 HN LYS 76 36.179 16.740 17.624 604 HA LYS 76 HA LYS 76 35.608 17.038 20.546 605 1HB LYS 76 HB2 LYS 76 37.942 17.672 20.057 606 2HB LYS 76 HB1 LYS 76 37.379 18.800 18.824 607 1HG LYS 76 HG2 LYS 76 37.203 20.367 20.430 608 2HG LYS 76 HG1 LYS 76 35.898 19.415 21.140 609 1HD LYS 76 HD2 LYS 76 38.680 18.525 21.723 610 2HD LYS 76 HD1 LYS 76 38.138 20.012 22.503 611 1HE LYS 76 HE2 LYS 76 37.425 18.426 24.048 612 2HE LYS 76 HE1 LYS 76 35.985 18.581 23.042 613 1HZ LYS 76 HZ1 LYS 76 36.213 16.352 22.954 614 2HZ LYS 76 HZ2 LYS 76 37.888 16.386 23.240 615 3HZ LYS 76 HZ3 LYS 76 37.281 16.723 21.690 616 H ASN 77 HN ASN 77 35.461 18.702 17.381 617 HA ASN 77 HA ASN 77 33.714 19.985 16.465 618 1HB ASN 77 HB2 ASN 77 32.424 18.222 18.229 619 2HB ASN 77 HB1 ASN 77 31.810 19.821 18.651 620 1HD2 ASN 77 HD21 ASN 77 29.935 20.260 17.493 621 2HD2 ASN 77 HD22 ASN 77 29.657 19.816 15.878 Start of MODEL 7 1 1H MET 1 HT1 MET 1 49.775 17.366 -8.572 2 2H MET 1 HT2 MET 1 51.305 16.827 -9.080 3 3H MET 1 HT3 MET 1 50.784 18.398 -9.463 4 HA MET 1 HA MET 1 51.788 19.133 -7.647 5 1HB MET 1 HB2 MET 1 49.314 18.393 -6.874 6 2HB MET 1 HB1 MET 1 50.264 17.345 -5.820 7 1HG MET 1 HG2 MET 1 50.445 19.141 -4.455 8 2HG MET 1 HG1 MET 1 51.589 19.771 -5.640 9 1HE MET 1 HE1 MET 1 50.920 22.000 -4.421 10 2HE MET 1 HE2 MET 1 50.005 23.088 -5.462 11 3HE MET 1 HE3 MET 1 51.367 22.187 -6.122 12 H ASP 2 HN ASP 2 53.724 17.847 -8.392 13 HA ASP 2 HA ASP 2 54.297 15.502 -6.646 14 1HB ASP 2 HB2 ASP 2 56.048 14.945 -8.198 15 2HB ASP 2 HB1 ASP 2 54.627 15.357 -9.159 16 H ARG 3 HN ARG 3 56.112 15.510 -5.270 17 HA ARG 3 HA ARG 3 56.862 17.987 -4.096 18 1HB ARG 3 HB2 ARG 3 57.473 15.200 -3.719 19 2HB ARG 3 HB1 ARG 3 58.968 16.133 -3.656 20 1HG ARG 3 HG2 ARG 3 58.097 16.111 -1.423 21 2HG ARG 3 HG1 ARG 3 57.770 17.720 -2.067 22 1HD ARG 3 HD2 ARG 3 55.584 17.409 -1.641 23 2HD ARG 3 HD1 ARG 3 55.574 16.092 -2.814 24 HE ARG 3 HE ARG 3 56.356 15.571 0.020 25 1HH1 ARG 3 HH21 ARG 3 53.404 15.617 -0.422 26 2HH1 ARG 3 HH22 ARG 3 53.063 13.966 -0.817 27 1HH2 ARG 3 HH11 ARG 3 56.368 13.172 -1.508 28 2HH2 ARG 3 HH12 ARG 3 54.741 12.581 -1.432 29 H PHE 4 HN PHE 4 59.535 18.247 -3.913 30 HA PHE 4 HA PHE 4 60.544 18.367 -6.720 31 1HB PHE 4 HB2 PHE 4 60.306 20.579 -4.703 32 2HB PHE 4 HB1 PHE 4 61.633 20.607 -5.864 33 HD1 PHE 4 HD1 PHE 4 60.626 19.640 -8.327 34 HD2 PHE 4 HD2 PHE 4 58.570 21.982 -5.371 35 HE1 PHE 4 HE1 PHE 4 59.083 20.489 -10.073 36 HE2 PHE 4 HE2 PHE 4 57.028 22.832 -7.117 37 HZ PHE 4 HZ PHE 4 57.283 22.085 -9.468 38 H HIS 5 HN HIS 5 61.021 16.952 -3.886 39 HA HIS 5 HA HIS 5 63.926 17.483 -3.650 40 1HB HIS 5 HB2 HIS 5 61.909 16.743 -1.824 41 2HB HIS 5 HB1 HIS 5 62.954 15.330 -1.975 42 HD1 HIS 5 HD1 HIS 5 64.464 15.473 0.024 43 HD2 HIS 5 HD2 HIS 5 64.124 19.139 -1.931 44 HE1 HIS 5 HE1 HIS 5 66.099 17.042 1.155 45 H ALA 6 HN ALA 6 61.733 15.184 -5.030 46 HA ALA 6 HA ALA 6 63.521 12.924 -5.114 47 1HB ALA 6 HB1 ALA 6 61.397 12.201 -5.601 48 2HB ALA 6 HB2 ALA 6 61.932 12.496 -7.255 49 3HB ALA 6 HB3 ALA 6 60.961 13.704 -6.414 50 H THR 7 HN THR 7 65.557 13.708 -5.856 51 HA THR 7 HA THR 7 65.755 13.918 -8.776 52 HB THR 7 HB THR 7 67.327 16.080 -8.037 53 HG1 THR 7 HG1 THR 7 66.488 16.535 -6.136 54 1HG2 THR 7 HG21 THR 7 64.495 15.979 -9.106 55 2HG2 THR 7 HG22 THR 7 65.983 15.975 -10.052 56 3HG2 THR 7 HG23 THR 7 65.517 17.415 -9.147 57 H SER 8 HN SER 8 67.429 14.144 -5.640 58 HA SER 8 HA SER 8 70.075 13.767 -6.399 59 1HB SER 8 HB2 SER 8 70.433 12.677 -4.256 60 2HB SER 8 HB1 SER 8 69.247 13.961 -4.039 61 HG SER 8 HG SER 8 68.989 11.250 -3.777 62 H ALA 9 HN ALA 9 71.388 11.835 -6.692 63 HA ALA 9 HA ALA 9 70.191 9.901 -8.446 64 1HB ALA 9 HB1 ALA 9 72.380 8.753 -8.313 65 2HB ALA 9 HB2 ALA 9 72.839 9.798 -6.968 66 3HB ALA 9 HB3 ALA 9 72.581 10.486 -8.571 67 H ASP 10 HN ASP 10 69.181 8.004 -7.960 68 HA ASP 10 HA ASP 10 69.758 6.609 -5.433 69 1HB ASP 10 HB2 ASP 10 67.635 8.444 -5.519 70 2HB ASP 10 HB1 ASP 10 66.876 6.863 -5.704 71 H CYS 11 HN CYS 11 69.756 6.241 -8.473 72 HA CYS 11 HA CYS 11 67.719 4.275 -9.059 73 1HB CYS 11 HB2 CYS 11 70.340 5.009 -10.375 74 2HB CYS 11 HB1 CYS 11 69.311 3.715 -10.990 75 H CYS 12 HN CYS 12 68.221 1.952 -9.501 76 HA CYS 12 HA CYS 12 70.198 0.932 -7.506 77 1HB CYS 12 HB2 CYS 12 67.509 -0.004 -8.408 78 2HB CYS 12 HB1 CYS 12 68.692 -1.232 -7.957 79 H ILE 13 HN ILE 13 71.762 -0.517 -8.184 80 HA ILE 13 HA ILE 13 71.775 -1.169 -11.106 81 HB ILE 13 HB ILE 13 74.269 -1.051 -9.425 82 1HG1 ILE 13 HG12 ILE 13 73.086 1.087 -9.055 83 2HG1 ILE 13 HG11 ILE 13 74.517 1.325 -10.058 84 1HG2 ILE 13 HG21 ILE 13 74.075 -1.949 -11.850 85 2HG2 ILE 13 HG22 ILE 13 75.353 -0.784 -11.505 86 3HG2 ILE 13 HG23 ILE 13 73.873 -0.258 -12.308 87 1HD1 ILE 13 HD11 ILE 13 72.951 2.494 -11.304 88 2HD1 ILE 13 HD12 ILE 13 71.625 1.435 -10.824 89 3HD1 ILE 13 HD13 ILE 13 72.792 0.895 -12.030 90 H SER 14 HN SER 14 71.723 -2.412 -7.930 91 HA SER 14 HA SER 14 72.049 -5.154 -9.006 92 1HB SER 14 HB2 SER 14 74.238 -4.126 -7.920 93 2HB SER 14 HB1 SER 14 73.413 -4.518 -6.414 94 HG SER 14 HG SER 14 74.547 -6.159 -8.303 95 H TYR 15 HN TYR 15 70.494 -6.466 -8.153 96 HA TYR 15 HA TYR 15 68.901 -5.391 -5.880 97 1HB TYR 15 HB2 TYR 15 68.306 -7.567 -7.907 98 2HB TYR 15 HB1 TYR 15 67.224 -7.113 -6.590 99 HD1 TYR 15 HD1 TYR 15 69.228 -5.439 -9.293 100 HD2 TYR 15 HD2 TYR 15 65.550 -5.575 -7.078 101 HE1 TYR 15 HE1 TYR 15 68.334 -3.577 -10.664 102 HE2 TYR 15 HE2 TYR 15 64.656 -3.712 -8.449 103 HH TYR 15 HH TYR 15 65.006 -2.392 -10.207 104 H THR 16 HN THR 16 68.604 -6.610 -3.992 105 HA THR 16 HA THR 16 70.706 -8.374 -3.214 106 HB THR 16 HB THR 16 69.340 -7.075 -1.606 107 HG1 THR 16 HG1 THR 16 69.497 -9.874 -1.430 108 1HG2 THR 16 HG21 THR 16 67.122 -9.002 -1.606 109 2HG2 THR 16 HG22 THR 16 67.202 -8.014 -3.065 110 3HG2 THR 16 HG23 THR 16 67.085 -7.243 -1.483 111 HA PRO 17 HA PRO 17 68.962 -11.955 -5.285 112 1HB PRO 17 HB2 PRO 17 71.174 -13.539 -4.890 113 2HB PRO 17 HB1 PRO 17 71.047 -12.340 -6.190 114 1HG PRO 17 HG2 PRO 17 72.613 -12.202 -3.655 115 2HG PRO 17 HG1 PRO 17 72.914 -11.399 -5.205 116 1HD PRO 17 HD2 PRO 17 71.778 -10.195 -2.910 117 2HD PRO 17 HD1 PRO 17 71.776 -9.518 -4.553 118 H ARG 18 HN ARG 18 67.810 -11.625 -2.872 119 HA ARG 18 HA ARG 18 67.744 -14.315 -1.775 120 1HB ARG 18 HB2 ARG 18 69.188 -12.120 -0.337 121 2HB ARG 18 HB1 ARG 18 68.235 -13.261 0.613 122 1HG ARG 18 HG2 ARG 18 69.490 -15.054 -0.877 123 2HG ARG 18 HG1 ARG 18 70.674 -13.758 -1.054 124 1HD ARG 18 HD2 ARG 18 71.223 -13.762 1.198 125 2HD ARG 18 HD1 ARG 18 69.644 -14.377 1.688 126 HE ARG 18 HE ARG 18 70.407 -16.598 1.238 127 1HH1 ARG 18 HH21 ARG 18 71.883 -15.919 -1.324 128 2HH1 ARG 18 HH22 ARG 18 73.523 -16.243 -0.871 129 1HH2 ARG 18 HH11 ARG 18 72.857 -16.263 2.532 130 2HH2 ARG 18 HH12 ARG 18 74.074 -16.437 1.312 131 H SER 19 HN SER 19 65.964 -14.560 -0.256 132 HA SER 19 HA SER 19 63.894 -12.483 -0.652 133 1HB SER 19 HB2 SER 19 63.908 -15.341 -0.304 134 2HB SER 19 HB1 SER 19 62.903 -14.609 0.943 135 HG SER 19 HG SER 19 61.538 -13.950 -0.540 136 H ILE 20 HN ILE 20 64.241 -10.826 0.809 137 HA ILE 20 HA ILE 20 65.037 -11.427 3.570 138 HB ILE 20 HB ILE 20 64.155 -8.737 2.523 139 1HG1 ILE 20 HG12 ILE 20 65.749 -9.570 0.891 140 2HG1 ILE 20 HG11 ILE 20 66.576 -8.399 1.919 141 1HG2 ILE 20 HG21 ILE 20 66.194 -9.609 4.594 142 2HG2 ILE 20 HG22 ILE 20 64.583 -8.985 4.946 143 3HG2 ILE 20 HG23 ILE 20 65.787 -7.941 4.190 144 1HD1 ILE 20 HD11 ILE 20 68.093 -9.973 2.447 145 2HD1 ILE 20 HD12 ILE 20 67.212 -11.170 1.497 146 3HD1 ILE 20 HD13 ILE 20 66.811 -10.924 3.197 147 HA PRO 21 HA PRO 21 60.834 -11.608 4.967 148 1HB PRO 21 HB2 PRO 21 61.416 -11.690 7.652 149 2HB PRO 21 HB1 PRO 21 61.588 -13.084 6.572 150 1HG PRO 21 HG2 PRO 21 63.708 -11.360 7.760 151 2HG PRO 21 HG1 PRO 21 63.807 -13.041 7.209 152 1HD PRO 21 HD2 PRO 21 64.736 -10.760 5.797 153 2HD PRO 21 HD1 PRO 21 64.567 -12.404 5.145 154 H CYS 22 HN CYS 22 59.324 -10.238 6.190 155 HA CYS 22 HA CYS 22 59.930 -7.428 6.040 156 1HB CYS 22 HB2 CYS 22 57.634 -9.099 6.713 157 2HB CYS 22 HB1 CYS 22 57.740 -7.676 7.750 158 H SER 23 HN SER 23 60.181 -9.822 8.583 159 HA SER 23 HA SER 23 60.244 -8.153 10.862 160 1HB SER 23 HB2 SER 23 60.871 -10.854 10.263 161 2HB SER 23 HB1 SER 23 62.276 -10.180 11.084 162 HG SER 23 HG SER 23 61.118 -10.467 12.815 163 H LEU 24 HN LEU 24 62.598 -8.599 8.317 164 HA LEU 24 HA LEU 24 64.589 -6.997 9.847 165 1HB LEU 24 HB2 LEU 24 64.731 -8.914 7.567 166 2HB LEU 24 HB1 LEU 24 65.904 -7.596 7.585 167 HG LEU 24 HG LEU 24 65.851 -8.520 10.225 168 1HD1 LEU 24 HD11 LEU 24 66.521 -11.002 9.609 169 2HD1 LEU 24 HD12 LEU 24 65.458 -10.725 8.230 170 3HD1 LEU 24 HD13 LEU 24 64.829 -10.579 9.871 171 1HD2 LEU 24 HD21 LEU 24 67.801 -7.734 8.873 172 2HD2 LEU 24 HD22 LEU 24 67.776 -9.265 7.999 173 3HD2 LEU 24 HD23 LEU 24 68.135 -9.241 9.725 174 H LEU 25 HN LEU 25 62.010 -6.210 8.203 175 HA LEU 25 HA LEU 25 63.369 -3.996 6.717 176 1HB LEU 25 HB2 LEU 25 60.756 -5.359 5.989 177 2HB LEU 25 HB1 LEU 25 61.522 -4.041 5.100 178 HG LEU 25 HG LEU 25 62.840 -6.724 5.599 179 1HD1 LEU 25 HD11 LEU 25 62.329 -6.527 2.892 180 2HD1 LEU 25 HD12 LEU 25 60.864 -5.852 3.606 181 3HD1 LEU 25 HD13 LEU 25 61.383 -7.482 4.035 182 1HD2 LEU 25 HD21 LEU 25 63.612 -4.162 4.323 183 2HD2 LEU 25 HD22 LEU 25 64.007 -5.612 3.399 184 3HD2 LEU 25 HD23 LEU 25 64.628 -5.414 5.038 185 H GLU 26 HN GLU 26 62.580 -1.942 7.141 186 HA GLU 26 HA GLU 26 60.230 -1.779 8.988 187 1HB GLU 26 HB2 GLU 26 61.335 0.198 10.011 188 2HB GLU 26 HB1 GLU 26 62.306 -1.263 10.193 189 1HG GLU 26 HG2 GLU 26 63.868 -0.587 8.595 190 2HG GLU 26 HG1 GLU 26 62.734 0.509 7.806 191 H SER 27 HN SER 27 61.499 -0.926 5.982 192 HA SER 27 HA SER 27 59.204 0.696 5.327 193 1HB SER 27 HB2 SER 27 60.847 2.701 4.718 194 2HB SER 27 HB1 SER 27 60.107 2.583 6.312 195 HG SER 27 HG SER 27 61.998 2.152 7.143 196 H TYR 28 HN TYR 28 59.368 1.492 3.035 197 HA TYR 28 HA TYR 28 61.569 0.647 1.363 198 1HB TYR 28 HB2 TYR 28 60.581 -1.219 0.236 199 2HB TYR 28 HB1 TYR 28 60.406 -1.550 1.960 200 HD1 TYR 28 HD1 TYR 28 58.700 -1.370 -1.135 201 HD2 TYR 28 HD2 TYR 28 58.183 -0.628 3.064 202 HE1 TYR 28 HE1 TYR 28 56.240 -1.507 -1.414 203 HE2 TYR 28 HE2 TYR 28 55.722 -0.766 2.785 204 HH TYR 28 HH TYR 28 54.130 -0.345 0.293 205 H PHE 29 HN PHE 29 60.989 0.990 -0.995 206 HA PHE 29 HA PHE 29 58.514 2.301 -1.684 207 1HB PHE 29 HB2 PHE 29 59.913 4.511 -2.245 208 2HB PHE 29 HB1 PHE 29 59.109 4.292 -0.692 209 HD1 PHE 29 HD1 PHE 29 60.399 4.911 1.135 210 HD2 PHE 29 HD2 PHE 29 62.321 3.123 -2.265 211 HE1 PHE 29 HE1 PHE 29 62.587 5.060 2.293 212 HE2 PHE 29 HE2 PHE 29 64.509 3.271 -1.106 213 HZ PHE 29 HZ PHE 29 64.641 4.240 1.173 214 H GLU 30 HN GLU 30 58.557 3.070 -3.950 215 HA GLU 30 HA GLU 30 60.147 1.295 -5.607 216 1HB GLU 30 HB2 GLU 30 58.105 3.438 -6.107 217 2HB GLU 30 HB1 GLU 30 59.084 2.850 -7.451 218 1HG GLU 30 HG2 GLU 30 58.291 0.623 -7.195 219 2HG GLU 30 HG1 GLU 30 57.618 0.965 -5.600 220 H THR 31 HN THR 31 61.691 1.989 -7.234 221 HA THR 31 HA THR 31 63.515 4.025 -6.262 222 HB THR 31 HB THR 31 64.533 3.538 -8.660 223 HG1 THR 31 HG1 THR 31 62.541 2.442 -9.260 224 1HG2 THR 31 HG21 THR 31 64.895 1.056 -7.347 225 2HG2 THR 31 HG22 THR 31 64.671 2.264 -6.082 226 3HG2 THR 31 HG23 THR 31 65.949 2.469 -7.281 227 H ASN 32 HN ASN 32 64.368 5.553 -8.260 228 HA ASN 32 HA ASN 32 62.118 7.361 -8.736 229 1HB ASN 32 HB2 ASN 32 65.076 7.442 -9.278 230 2HB ASN 32 HB1 ASN 32 64.007 8.614 -10.050 231 1HD2 ASN 32 HD21 ASN 32 65.615 9.929 -8.427 232 2HD2 ASN 32 HD22 ASN 32 64.930 10.264 -6.911 233 H SER 33 HN SER 33 60.892 7.406 -10.561 234 HA SER 33 HA SER 33 61.136 5.440 -12.609 235 1HB SER 33 HB2 SER 33 59.815 8.003 -13.317 236 2HB SER 33 HB1 SER 33 59.215 6.354 -13.457 237 HG SER 33 HG SER 33 58.503 6.430 -11.446 238 H GLU 34 HN GLU 34 62.801 8.406 -12.123 239 HA GLU 34 HA GLU 34 63.380 9.297 -14.712 240 1HB GLU 34 HB2 GLU 34 65.351 9.084 -12.416 241 2HB GLU 34 HB1 GLU 34 65.478 10.169 -13.800 242 1HG GLU 34 HG2 GLU 34 63.125 11.011 -13.055 243 2HG GLU 34 HG1 GLU 34 63.526 10.258 -11.511 244 H CYS 35 HN CYS 35 64.639 6.482 -13.011 245 HA CYS 35 HA CYS 35 66.586 5.906 -15.137 246 1HB CYS 35 HB2 CYS 35 65.939 4.839 -12.460 247 2HB CYS 35 HB1 CYS 35 66.458 3.626 -13.630 248 H SER 36 HN SER 36 66.438 4.059 -16.535 249 HA SER 36 HA SER 36 63.699 3.440 -17.355 250 1HB SER 36 HB2 SER 36 65.336 3.692 -19.107 251 2HB SER 36 HB1 SER 36 66.412 2.523 -18.347 252 HG SER 36 HG SER 36 64.011 2.133 -19.746 253 H LYS 37 HN LYS 37 65.896 2.147 -15.117 254 HA LYS 37 HA LYS 37 64.501 -0.498 -15.188 255 1HB LYS 37 HB2 LYS 37 67.300 0.315 -14.495 256 2HB LYS 37 HB1 LYS 37 66.598 -1.077 -13.670 257 1HG LYS 37 HG2 LYS 37 67.642 -1.996 -15.590 258 2HG LYS 37 HG1 LYS 37 65.933 -1.908 -16.017 259 1HD LYS 37 HD2 LYS 37 66.320 0.217 -17.193 260 2HD LYS 37 HD1 LYS 37 68.026 0.162 -16.746 261 1HE LYS 37 HE2 LYS 37 68.218 -2.022 -17.959 262 2HE LYS 37 HE1 LYS 37 66.553 -1.819 -18.504 263 1HZ LYS 37 HZ1 LYS 37 67.131 -0.236 -19.965 264 2HZ LYS 37 HZ2 LYS 37 68.677 -0.931 -19.848 265 3HZ LYS 37 HZ3 LYS 37 68.294 0.455 -18.942 266 HA PRO 38 HA PRO 38 62.983 1.429 -11.366 267 1HB PRO 38 HB2 PRO 38 60.553 0.145 -11.465 268 2HB PRO 38 HB1 PRO 38 60.893 1.664 -12.311 269 1HG PRO 38 HG2 PRO 38 60.647 -1.091 -13.427 270 2HG PRO 38 HG1 PRO 38 60.357 0.469 -14.215 271 1HD PRO 38 HD2 PRO 38 62.666 -1.139 -14.525 272 2HD PRO 38 HD1 PRO 38 62.499 0.557 -15.028 273 H GLY 39 HN GLY 39 62.128 0.306 -9.332 274 1HA GLY 39 HA2 GLY 39 62.196 -2.511 -9.031 275 2HA GLY 39 HA1 GLY 39 63.758 -1.844 -8.566 276 H VAL 40 HN VAL 40 62.374 -3.063 -6.580 277 HA VAL 40 HA VAL 40 60.995 -0.875 -5.092 278 HB VAL 40 HB VAL 40 61.068 -3.862 -4.555 279 1HG1 VAL 40 HG11 VAL 40 59.367 -3.392 -2.873 280 2HG1 VAL 40 HG12 VAL 40 59.389 -1.678 -3.287 281 3HG1 VAL 40 HG13 VAL 40 60.798 -2.420 -2.529 282 1HG2 VAL 40 HG21 VAL 40 58.710 -2.197 -5.450 283 2HG2 VAL 40 HG22 VAL 40 58.879 -3.952 -5.471 284 3HG2 VAL 40 HG23 VAL 40 59.793 -2.964 -6.611 285 H ILE 41 HN ILE 41 62.198 0.156 -3.578 286 HA ILE 41 HA ILE 41 64.746 -1.050 -2.696 287 HB ILE 41 HB ILE 41 63.632 1.613 -1.809 288 1HG1 ILE 41 HG12 ILE 41 65.230 1.053 -4.329 289 2HG1 ILE 41 HG11 ILE 41 63.508 1.434 -4.302 290 1HG2 ILE 41 HG21 ILE 41 66.151 2.106 -1.891 291 2HG2 ILE 41 HG22 ILE 41 66.373 0.367 -2.081 292 3HG2 ILE 41 HG23 ILE 41 65.606 1.004 -0.626 293 1HD1 ILE 41 HD11 ILE 41 65.839 3.204 -3.599 294 2HD1 ILE 41 HD12 ILE 41 64.237 3.536 -2.941 295 3HD1 ILE 41 HD13 ILE 41 64.490 3.532 -4.686 296 H PHE 42 HN PHE 42 64.865 -2.185 -0.823 297 HA PHE 42 HA PHE 42 62.671 -1.804 1.172 298 1HB PHE 42 HB2 PHE 42 64.280 -4.176 0.307 299 2HB PHE 42 HB1 PHE 42 63.719 -4.110 1.978 300 HD1 PHE 42 HD1 PHE 42 61.210 -3.574 2.364 301 HD2 PHE 42 HD2 PHE 42 62.821 -4.880 -1.397 302 HE1 PHE 42 HE1 PHE 42 58.944 -4.271 1.636 303 HE2 PHE 42 HE2 PHE 42 60.556 -5.577 -2.126 304 HZ PHE 42 HZ PHE 42 58.617 -5.273 -0.609 305 H LEU 43 HN LEU 43 63.264 -0.786 3.014 306 HA LEU 43 HA LEU 43 66.167 -0.614 3.658 307 1HB LEU 43 HB2 LEU 43 64.676 1.470 3.458 308 2HB LEU 43 HB1 LEU 43 63.936 0.948 4.972 309 HG LEU 43 HG LEU 43 66.825 0.824 5.158 310 1HD1 LEU 43 HD11 LEU 43 66.609 2.652 3.435 311 2HD1 LEU 43 HD12 LEU 43 67.341 3.179 4.951 312 3HD1 LEU 43 HD13 LEU 43 65.655 3.565 4.604 313 1HD2 LEU 43 HD21 LEU 43 65.027 2.744 6.622 314 2HD2 LEU 43 HD22 LEU 43 66.418 1.847 7.230 315 3HD2 LEU 43 HD23 LEU 43 64.896 1.012 6.923 316 H THR 44 HN THR 44 66.955 -1.408 5.610 317 HA THR 44 HA THR 44 65.029 -3.048 7.191 318 HB THR 44 HB THR 44 66.894 -4.395 7.854 319 HG1 THR 44 HG1 THR 44 68.962 -3.739 7.612 320 1HG2 THR 44 HG21 THR 44 68.048 -4.167 5.250 321 2HG2 THR 44 HG22 THR 44 66.314 -3.879 5.110 322 3HG2 THR 44 HG23 THR 44 66.903 -5.375 5.834 323 H LYS 45 HN LYS 45 65.740 -3.205 9.606 324 HA LYS 45 HA LYS 45 65.787 -0.475 10.655 325 1HB LYS 45 HB2 LYS 45 64.431 -2.356 11.659 326 2HB LYS 45 HB1 LYS 45 65.947 -3.079 12.198 327 1HG LYS 45 HG2 LYS 45 65.975 -0.318 12.938 328 2HG LYS 45 HG1 LYS 45 64.440 -1.010 13.464 329 1HD LYS 45 HD2 LYS 45 66.637 -2.840 13.977 330 2HD LYS 45 HD1 LYS 45 66.919 -1.279 14.749 331 1HE LYS 45 HE2 LYS 45 64.810 -1.381 15.905 332 2HE LYS 45 HE1 LYS 45 64.307 -2.794 14.978 333 1HZ LYS 45 HZ1 LYS 45 65.304 -4.095 16.443 334 2HZ LYS 45 HZ2 LYS 45 65.719 -2.737 17.375 335 3HZ LYS 45 HZ3 LYS 45 66.789 -3.317 16.190 336 H LYS 46 HN LYS 46 68.190 -2.305 9.451 337 HA LYS 46 HA LYS 46 70.155 -1.500 11.552 338 1HB LYS 46 HB2 LYS 46 70.243 -3.620 9.392 339 2HB LYS 46 HB1 LYS 46 71.679 -3.114 10.283 340 1HG LYS 46 HG2 LYS 46 70.424 -3.628 12.418 341 2HG LYS 46 HG1 LYS 46 69.159 -4.348 11.421 342 1HD LYS 46 HD2 LYS 46 70.540 -6.093 10.695 343 2HD LYS 46 HD1 LYS 46 72.019 -5.204 11.060 344 1HE LYS 46 HE2 LYS 46 70.380 -5.583 13.439 345 2HE LYS 46 HE1 LYS 46 70.808 -7.121 12.689 346 1HZ LYS 46 HZ1 LYS 46 72.463 -6.274 14.314 347 2HZ LYS 46 HZ2 LYS 46 72.765 -4.969 13.269 348 3HZ LYS 46 HZ3 LYS 46 73.100 -6.558 12.768 349 H GLY 47 HN GLY 47 68.987 0.291 9.516 350 1HA GLY 47 HA2 GLY 47 69.702 1.942 8.027 351 2HA GLY 47 HA1 GLY 47 71.301 1.687 8.720 352 H ARG 48 HN ARG 48 69.522 -0.885 7.133 353 HA ARG 48 HA ARG 48 71.559 -0.813 4.942 354 1HB ARG 48 HB2 ARG 48 70.946 -2.879 6.725 355 2HB ARG 48 HB1 ARG 48 70.133 -3.338 5.227 356 1HG ARG 48 HG2 ARG 48 72.219 -4.197 4.766 357 2HG ARG 48 HG1 ARG 48 72.472 -2.553 4.180 358 1HD ARG 48 HD2 ARG 48 73.757 -1.949 6.009 359 2HD ARG 48 HD1 ARG 48 72.975 -3.115 7.076 360 HE ARG 48 HE ARG 48 74.626 -4.265 4.921 361 1HH1 ARG 48 HH21 ARG 48 73.703 -5.003 7.917 362 2HH1 ARG 48 HH22 ARG 48 75.276 -5.193 8.617 363 1HH2 ARG 48 HH11 ARG 48 76.935 -3.750 5.936 364 2HH2 ARG 48 HH12 ARG 48 77.106 -4.484 7.496 365 H ARG 49 HN ARG 49 70.804 -0.695 2.857 366 HA ARG 49 HA ARG 49 67.875 -1.100 2.426 367 1HB ARG 49 HB2 ARG 49 68.006 0.831 0.790 368 2HB ARG 49 HB1 ARG 49 68.185 1.289 2.485 369 1HG ARG 49 HG2 ARG 49 70.743 0.580 1.274 370 2HG ARG 49 HG1 ARG 49 69.958 1.913 0.426 371 1HD ARG 49 HD2 ARG 49 69.820 3.227 2.412 372 2HD ARG 49 HD1 ARG 49 70.221 1.849 3.437 373 HE ARG 49 HE ARG 49 72.482 2.353 3.054 374 1HH1 ARG 49 HH11 ARG 49 71.044 4.887 1.678 375 2HH1 ARG 49 HH12 ARG 49 72.097 5.053 0.313 376 1HH2 ARG 49 HH21 ARG 49 73.623 1.975 0.781 377 2HH2 ARG 49 HH22 ARG 49 73.557 3.404 -0.195 378 H PHE 50 HN PHE 50 67.329 -1.856 0.304 379 HA PHE 50 HA PHE 50 69.370 -2.288 -1.718 380 1HB PHE 50 HB2 PHE 50 68.978 -4.871 -1.570 381 2HB PHE 50 HB1 PHE 50 70.148 -4.124 -0.481 382 HD1 PHE 50 HD1 PHE 50 69.933 -4.411 1.834 383 HD2 PHE 50 HD2 PHE 50 66.520 -5.038 -0.697 384 HE1 PHE 50 HE1 PHE 50 68.632 -5.213 3.787 385 HE2 PHE 50 HE2 PHE 50 65.219 -5.840 1.256 386 HZ PHE 50 HZ PHE 50 66.275 -5.928 3.498 387 H CYS 51 HN CYS 51 68.394 -2.739 -3.703 388 HA CYS 51 HA CYS 51 65.502 -2.435 -3.824 389 1HB CYS 51 HB2 CYS 51 67.736 -2.655 -5.793 390 2HB CYS 51 HB1 CYS 51 66.111 -3.045 -6.354 391 H ALA 52 HN ALA 52 64.040 -4.005 -4.775 392 HA ALA 52 HA ALA 52 65.047 -6.806 -4.842 393 1HB ALA 52 HB1 ALA 52 62.463 -6.067 -3.455 394 2HB ALA 52 HB2 ALA 52 63.990 -6.201 -2.582 395 3HB ALA 52 HB3 ALA 52 63.319 -7.608 -3.408 396 H ASN 53 HN ASN 53 63.446 -8.263 -5.948 397 HA ASN 53 HA ASN 53 62.409 -6.967 -8.325 398 1HB ASN 53 HB2 ASN 53 63.352 -9.342 -8.156 399 2HB ASN 53 HB1 ASN 53 61.808 -9.792 -7.432 400 1HD2 ASN 53 HD21 ASN 53 63.389 -8.880 -10.437 401 2HD2 ASN 53 HD22 ASN 53 62.036 -9.106 -11.437 402 HA PRO 54 HA PRO 54 58.414 -6.103 -6.604 403 1HB PRO 54 HB2 PRO 54 57.249 -5.284 -8.958 404 2HB PRO 54 HB1 PRO 54 58.342 -4.270 -8.001 405 1HG PRO 54 HG2 PRO 54 58.875 -5.711 -10.559 406 2HG PRO 54 HG1 PRO 54 59.629 -4.240 -9.921 407 1HD PRO 54 HD2 PRO 54 60.766 -6.824 -9.867 408 2HD PRO 54 HD1 PRO 54 61.319 -5.427 -8.920 409 H SER 55 HN SER 55 59.191 -8.527 -8.852 410 HA SER 55 HA SER 55 56.407 -9.513 -9.088 411 1HB SER 55 HB2 SER 55 58.952 -10.753 -10.169 412 2HB SER 55 HB1 SER 55 57.300 -11.138 -10.643 413 HG SER 55 HG SER 55 57.383 -9.522 -11.971 414 H ASP 56 HN ASP 56 58.927 -9.732 -6.898 415 HA ASP 56 HA ASP 56 58.742 -12.550 -6.228 416 1HB ASP 56 HB2 ASP 56 60.731 -11.267 -5.618 417 2HB ASP 56 HB1 ASP 56 59.755 -10.177 -4.633 418 H LYS 57 HN LYS 57 57.156 -13.519 -5.058 419 HA LYS 57 HA LYS 57 54.807 -12.158 -4.221 420 1HB LYS 57 HB2 LYS 57 54.162 -14.228 -3.175 421 2HB LYS 57 HB1 LYS 57 55.060 -14.650 -4.633 422 1HG LYS 57 HG2 LYS 57 57.117 -14.915 -3.259 423 2HG LYS 57 HG1 LYS 57 56.168 -14.576 -1.811 424 1HD LYS 57 HD2 LYS 57 54.805 -16.594 -3.307 425 2HD LYS 57 HD1 LYS 57 56.495 -17.075 -3.154 426 1HE LYS 57 HE2 LYS 57 56.096 -17.694 -1.029 427 2HE LYS 57 HE1 LYS 57 55.715 -16.017 -0.639 428 1HZ LYS 57 HZ1 LYS 57 53.848 -18.117 -1.585 429 2HZ LYS 57 HZ2 LYS 57 53.436 -16.471 -1.498 430 3HZ LYS 57 HZ3 LYS 57 53.836 -17.325 -0.085 431 H GLN 58 HN GLN 58 57.676 -13.171 -2.366 432 HA GLN 58 HA GLN 58 56.761 -12.406 0.204 433 1HB GLN 58 HB2 GLN 58 58.959 -13.614 -0.510 434 2HB GLN 58 HB1 GLN 58 59.616 -11.983 -0.656 435 1HG GLN 58 HG2 GLN 58 59.624 -11.644 1.597 436 2HG GLN 58 HG1 GLN 58 58.097 -12.496 1.828 437 1HE2 GLN 58 HE21 GLN 58 58.661 -14.060 3.395 438 2HE2 GLN 58 HE22 GLN 58 59.914 -15.188 3.198 439 H VAL 59 HN VAL 59 57.997 -10.483 -2.465 440 HA VAL 59 HA VAL 59 58.401 -8.071 -0.910 441 HB VAL 59 HB VAL 59 58.056 -8.577 -3.876 442 1HG1 VAL 59 HG11 VAL 59 58.932 -6.178 -4.051 443 2HG1 VAL 59 HG12 VAL 59 58.493 -6.000 -2.352 444 3HG1 VAL 59 HG13 VAL 59 57.249 -6.353 -3.551 445 1HG2 VAL 59 HG21 VAL 59 60.485 -7.887 -3.847 446 2HG2 VAL 59 HG22 VAL 59 60.156 -9.387 -2.981 447 3HG2 VAL 59 HG23 VAL 59 60.406 -7.889 -2.085 448 H GLN 60 HN GLN 60 55.750 -9.303 -2.946 449 HA GLN 60 HA GLN 60 54.070 -6.987 -2.594 450 1HB GLN 60 HB2 GLN 60 53.376 -9.859 -3.287 451 2HB GLN 60 HB1 GLN 60 52.249 -8.506 -3.387 452 1HG GLN 60 HG2 GLN 60 53.490 -7.456 -5.116 453 2HG GLN 60 HG1 GLN 60 54.907 -8.464 -4.820 454 1HE2 GLN 60 HE21 GLN 60 53.261 -8.153 -7.350 455 2HE2 GLN 60 HE22 GLN 60 52.772 -9.729 -7.750 456 H VAL 61 HN VAL 61 54.582 -9.944 -0.752 457 HA VAL 61 HA VAL 61 52.278 -9.560 0.980 458 HB VAL 61 HB VAL 61 54.791 -11.192 1.454 459 1HG1 VAL 61 HG11 VAL 61 53.424 -10.750 3.476 460 2HG1 VAL 61 HG12 VAL 61 53.365 -12.450 3.012 461 3HG1 VAL 61 HG13 VAL 61 52.006 -11.388 2.644 462 1HG2 VAL 61 HG21 VAL 61 54.028 -12.581 -0.146 463 2HG2 VAL 61 HG22 VAL 61 52.661 -11.507 -0.446 464 3HG2 VAL 61 HG23 VAL 61 52.531 -12.783 0.764 465 H CYS 62 HN CYS 62 55.621 -8.502 0.972 466 HA CYS 62 HA CYS 62 55.647 -7.656 3.751 467 1HB CYS 62 HB2 CYS 62 57.491 -7.708 1.520 468 2HB CYS 62 HB1 CYS 62 57.539 -6.136 2.317 469 H MET 63 HN MET 63 55.049 -6.045 0.637 470 HA MET 63 HA MET 63 54.837 -3.389 1.665 471 1HB MET 63 HB2 MET 63 53.520 -2.936 -0.403 472 2HB MET 63 HB1 MET 63 55.011 -3.819 -0.737 473 1HG MET 63 HG2 MET 63 53.867 -5.863 -1.055 474 2HG MET 63 HG1 MET 63 52.410 -5.271 -0.257 475 1HE MET 63 HE1 MET 63 50.823 -5.721 -1.483 476 2HE MET 63 HE2 MET 63 51.261 -6.374 -3.060 477 3HE MET 63 HE3 MET 63 50.275 -4.918 -2.961 478 H ARG 64 HN ARG 64 52.697 -6.116 1.830 479 HA ARG 64 HA ARG 64 50.293 -4.552 2.373 480 1HB ARG 64 HB2 ARG 64 50.474 -6.993 1.474 481 2HB ARG 64 HB1 ARG 64 50.673 -7.433 3.171 482 1HG ARG 64 HG2 ARG 64 48.436 -7.352 3.396 483 2HG ARG 64 HG1 ARG 64 48.515 -5.615 3.096 484 1HD ARG 64 HD2 ARG 64 48.402 -6.055 0.652 485 2HD ARG 64 HD1 ARG 64 48.242 -7.779 0.989 486 HE ARG 64 HE ARG 64 46.226 -6.283 2.407 487 1HH1 ARG 64 HH11 ARG 64 45.853 -8.878 0.876 488 2HH1 ARG 64 HH12 ARG 64 44.823 -8.365 -0.419 489 1HH2 ARG 64 HH21 ARG 64 45.459 -4.990 0.057 490 2HH2 ARG 64 HH22 ARG 64 44.600 -6.164 -0.882 491 H MET 65 HN MET 65 52.902 -5.954 4.254 492 HA MET 65 HA MET 65 51.478 -5.415 6.792 493 1HB MET 65 HB2 MET 65 52.999 -7.461 6.328 494 2HB MET 65 HB1 MET 65 54.341 -6.334 6.534 495 1HG MET 65 HG2 MET 65 54.156 -6.617 8.760 496 2HG MET 65 HG1 MET 65 52.583 -5.823 8.678 497 1HE MET 65 HE1 MET 65 53.458 -9.671 10.279 498 2HE MET 65 HE2 MET 65 54.447 -8.259 9.912 499 3HE MET 65 HE3 MET 65 54.334 -9.574 8.745 500 H LEU 66 HN LEU 66 54.457 -4.368 5.115 501 HA LEU 66 HA LEU 66 55.030 -2.309 7.082 502 1HB LEU 66 HB2 LEU 66 56.106 -3.025 4.365 503 2HB LEU 66 HB1 LEU 66 56.548 -1.487 5.108 504 HG LEU 66 HG LEU 66 56.786 -4.072 6.640 505 1HD1 LEU 66 HD11 LEU 66 58.135 -3.643 4.271 506 2HD1 LEU 66 HD12 LEU 66 58.703 -4.671 5.586 507 3HD1 LEU 66 HD13 LEU 66 59.261 -3.002 5.468 508 1HD2 LEU 66 HD21 LEU 66 56.993 -2.147 8.024 509 2HD2 LEU 66 HD22 LEU 66 57.949 -1.286 6.817 510 3HD2 LEU 66 HD23 LEU 66 58.652 -2.644 7.695 511 H LYS 67 HN LYS 67 52.585 -1.623 6.805 512 HA LYS 67 HA LYS 67 51.860 -0.076 4.488 513 1HB LYS 67 HB2 LYS 67 50.799 -0.321 7.291 514 2HB LYS 67 HB1 LYS 67 50.190 0.950 6.230 515 1HG LYS 67 HG2 LYS 67 49.657 -0.775 4.516 516 2HG LYS 67 HG1 LYS 67 50.184 -2.025 5.643 517 1HD LYS 67 HD2 LYS 67 48.059 -2.053 6.406 518 2HD LYS 67 HD1 LYS 67 48.413 -0.491 7.146 519 1HE LYS 67 HE2 LYS 67 46.920 0.488 5.780 520 2HE LYS 67 HE1 LYS 67 47.868 -0.029 4.386 521 1HZ LYS 67 HZ1 LYS 67 45.765 -0.977 4.095 522 2HZ LYS 67 HZ2 LYS 67 45.646 -1.455 5.721 523 3HZ LYS 67 HZ3 LYS 67 46.725 -2.249 4.676 524 H LEU 68 HN LEU 68 51.107 2.388 5.174 525 HA LEU 68 HA LEU 68 53.671 3.754 5.638 526 1HB LEU 68 HB2 LEU 68 52.362 5.807 5.102 527 2HB LEU 68 HB1 LEU 68 52.212 4.573 3.851 528 HG LEU 68 HG LEU 68 50.190 4.103 5.821 529 1HD1 LEU 68 HD11 LEU 68 50.599 6.566 6.295 530 2HD1 LEU 68 HD12 LEU 68 48.956 6.164 5.795 531 3HD1 LEU 68 HD13 LEU 68 50.076 6.890 4.642 532 1HD2 LEU 68 HD21 LEU 68 48.835 3.963 3.940 533 2HD2 LEU 68 HD22 LEU 68 50.420 3.743 3.199 534 3HD2 LEU 68 HD23 LEU 68 49.630 5.319 3.140 535 H ASP 69 HN ASP 69 54.065 3.427 7.871 536 HA ASP 69 HA ASP 69 52.211 3.717 9.972 537 1HB ASP 69 HB2 ASP 69 54.384 4.561 11.232 538 2HB ASP 69 HB1 ASP 69 54.247 2.884 10.712 539 H THR 70 HN THR 70 54.694 6.183 10.020 540 HA THR 70 HA THR 70 53.299 8.422 9.066 541 HB THR 70 HB THR 70 51.510 8.074 10.596 542 HG1 THR 70 HG1 THR 70 51.993 10.170 10.765 543 1HG2 THR 70 HG21 THR 70 52.601 8.043 13.167 544 2HG2 THR 70 HG22 THR 70 53.641 6.964 12.237 545 3HG2 THR 70 HG23 THR 70 51.904 6.667 12.311 546 H ARG 71 HN ARG 71 55.973 7.634 9.232 547 HA ARG 71 HA ARG 71 57.323 8.987 11.423 548 1HB ARG 71 HB2 ARG 71 58.373 8.002 8.751 549 2HB ARG 71 HB1 ARG 71 59.375 8.549 10.096 550 1HG ARG 71 HG2 ARG 71 57.886 6.752 11.417 551 2HG ARG 71 HG1 ARG 71 57.796 6.036 9.807 552 1HD ARG 71 HD2 ARG 71 60.222 5.972 9.645 553 2HD ARG 71 HD1 ARG 71 60.381 6.832 11.176 554 HE ARG 71 HE ARG 71 58.957 4.232 11.218 555 1HH1 ARG 71 HH11 ARG 71 60.798 6.316 13.009 556 2HH1 ARG 71 HH12 ARG 71 61.897 5.130 13.630 557 1HH2 ARG 71 HH21 ARG 71 60.782 2.610 11.525 558 2HH2 ARG 71 HH22 ARG 71 61.889 3.032 12.789 559 H ILE 72 HN ILE 72 55.797 10.966 10.789 560 HA ILE 72 HA ILE 72 57.385 12.720 8.956 561 HB ILE 72 HB ILE 72 55.066 13.979 8.863 562 1HG1 ILE 72 HG12 ILE 72 54.035 11.171 9.166 563 2HG1 ILE 72 HG11 ILE 72 54.224 12.186 10.596 564 1HG2 ILE 72 HG21 ILE 72 56.069 11.593 7.376 565 2HG2 ILE 72 HG22 ILE 72 55.771 13.233 6.798 566 3HG2 ILE 72 HG23 ILE 72 54.421 12.125 7.040 567 1HD1 ILE 72 HD11 ILE 72 52.898 13.971 9.343 568 2HD1 ILE 72 HD12 ILE 72 51.986 12.543 9.835 569 3HD1 ILE 72 HD13 ILE 72 52.512 12.720 8.161 570 H LYS 73 HN LYS 73 57.999 12.431 11.706 571 HA LYS 73 HA LYS 73 57.008 15.027 12.818 572 1HB LYS 73 HB2 LYS 73 56.645 12.667 14.011 573 2HB LYS 73 HB1 LYS 73 58.289 12.975 14.573 574 1HG LYS 73 HG2 LYS 73 57.636 14.668 15.942 575 2HG LYS 73 HG1 LYS 73 56.485 15.300 14.764 576 1HD LYS 73 HD2 LYS 73 55.705 12.685 15.838 577 2HD LYS 73 HD1 LYS 73 55.814 13.937 17.076 578 1HE LYS 73 HE2 LYS 73 54.473 15.402 15.399 579 2HE LYS 73 HE1 LYS 73 54.075 13.872 14.617 580 1HZ LYS 73 HZ1 LYS 73 53.602 14.518 17.476 581 2HZ LYS 73 HZ2 LYS 73 53.201 13.058 16.706 582 3HZ LYS 73 HZ3 LYS 73 52.416 14.498 16.264 583 H THR 74 HN THR 74 59.370 14.356 11.000 584 HA THR 74 HA THR 74 61.534 15.243 10.762 585 HB THR 74 HB THR 74 61.291 16.422 13.527 586 HG1 THR 74 HG1 THR 74 60.009 17.976 12.752 587 1HG2 THR 74 HG21 THR 74 63.157 16.577 11.401 588 2HG2 THR 74 HG22 THR 74 63.149 17.514 12.895 589 3HG2 THR 74 HG23 THR 74 62.330 18.134 11.462 590 H ARG 75 HN ARG 75 61.123 14.473 14.243 591 HA ARG 75 HA ARG 75 62.655 12.063 14.132 592 1HB ARG 75 HB2 ARG 75 64.258 14.336 13.899 593 2HB ARG 75 HB1 ARG 75 64.382 13.896 15.602 594 1HG ARG 75 HG2 ARG 75 64.752 11.481 14.746 595 2HG ARG 75 HG1 ARG 75 65.069 12.233 13.182 596 1HD ARG 75 HD2 ARG 75 66.731 13.745 14.431 597 2HD ARG 75 HD1 ARG 75 66.580 12.607 15.771 598 HE ARG 75 HE ARG 75 67.348 10.836 14.098 599 1HH1 ARG 75 HH21 ARG 75 67.430 13.855 12.647 600 2HH1 ARG 75 HH22 ARG 75 69.084 13.765 12.139 601 1HH2 ARG 75 HH11 ARG 75 69.742 10.850 13.898 602 2HH2 ARG 75 HH12 ARG 75 70.392 12.063 12.847 603 H LYS 76 HN LYS 76 62.468 10.992 16.091 604 HA LYS 76 HA LYS 76 62.123 12.342 18.619 605 1HB LYS 76 HB2 LYS 76 59.913 12.871 17.749 606 2HB LYS 76 HB1 LYS 76 59.655 11.188 17.286 607 1HG LYS 76 HG2 LYS 76 59.484 10.468 19.521 608 2HG LYS 76 HG1 LYS 76 60.273 11.917 20.143 609 1HD LYS 76 HD2 LYS 76 57.829 11.962 20.556 610 2HD LYS 76 HD1 LYS 76 58.333 13.276 19.492 611 1HE LYS 76 HE2 LYS 76 56.506 12.451 18.317 612 2HE LYS 76 HE1 LYS 76 57.811 11.514 17.590 613 1HZ LYS 76 HZ1 LYS 76 55.589 10.589 19.042 614 2HZ LYS 76 HZ2 LYS 76 57.001 10.174 19.890 615 3HZ LYS 76 HZ3 LYS 76 56.802 9.685 18.276 616 H ASN 77 HN ASN 77 61.668 9.420 16.679 617 HA ASN 77 HA ASN 77 62.835 7.854 18.912 618 1HB ASN 77 HB2 ASN 77 61.101 6.094 18.644 619 2HB ASN 77 HB1 ASN 77 60.408 7.617 19.202 620 1HD2 ASN 77 HD21 ASN 77 59.529 9.076 17.357 621 2HD2 ASN 77 HD22 ASN 77 58.782 8.295 16.048 Start of MODEL 8 1 1H MET 1 HT1 MET 1 77.951 13.945 -11.072 2 2H MET 1 HT2 MET 1 76.296 14.153 -11.397 3 3H MET 1 HT3 MET 1 76.817 12.867 -10.416 4 HA MET 1 HA MET 1 77.254 15.708 -9.698 5 1HB MET 1 HB2 MET 1 74.947 13.855 -9.054 6 2HB MET 1 HB1 MET 1 75.309 15.302 -8.112 7 1HG MET 1 HG2 MET 1 75.265 16.544 -10.385 8 2HG MET 1 HG1 MET 1 74.446 15.107 -10.995 9 1HE MET 1 HE1 MET 1 73.367 18.581 -10.037 10 2HE MET 1 HE2 MET 1 74.653 18.048 -8.956 11 3HE MET 1 HE3 MET 1 73.057 18.413 -8.303 12 H ASP 2 HN ASP 2 78.875 13.157 -9.558 13 HA ASP 2 HA ASP 2 80.302 12.181 -7.969 14 1HB ASP 2 HB2 ASP 2 79.137 14.207 -6.038 15 2HB ASP 2 HB1 ASP 2 80.675 13.356 -5.890 16 H ARG 3 HN ARG 3 77.479 11.323 -8.360 17 HA ARG 3 HA ARG 3 76.581 10.472 -5.695 18 1HB ARG 3 HB2 ARG 3 75.104 11.051 -7.767 19 2HB ARG 3 HB1 ARG 3 75.493 9.414 -8.296 20 1HG ARG 3 HG2 ARG 3 74.194 8.451 -6.695 21 2HG ARG 3 HG1 ARG 3 74.663 9.630 -5.470 22 1HD ARG 3 HD2 ARG 3 72.358 10.052 -5.871 23 2HD ARG 3 HD1 ARG 3 73.213 11.310 -6.763 24 HE ARG 3 HE ARG 3 72.806 9.082 -8.499 25 1HH1 ARG 3 HH11 ARG 3 70.112 9.004 -7.379 26 2HH1 ARG 3 HH12 ARG 3 69.261 10.213 -8.283 27 1HH2 ARG 3 HH21 ARG 3 72.143 11.756 -9.439 28 2HH2 ARG 3 HH22 ARG 3 70.411 11.771 -9.449 29 H PHE 4 HN PHE 4 77.790 8.874 -4.764 30 HA PHE 4 HA PHE 4 78.783 6.667 -6.506 31 1HB PHE 4 HB2 PHE 4 79.551 7.363 -3.655 32 2HB PHE 4 HB1 PHE 4 80.319 6.145 -4.673 33 HD1 PHE 4 HD1 PHE 4 81.107 7.042 -7.058 34 HD2 PHE 4 HD2 PHE 4 80.504 9.491 -3.581 35 HE1 PHE 4 HE1 PHE 4 82.588 8.780 -8.025 36 HE2 PHE 4 HE2 PHE 4 81.985 11.229 -4.548 37 HZ PHE 4 HZ PHE 4 83.027 10.873 -6.771 38 H HIS 5 HN HIS 5 78.090 4.566 -6.156 39 HA HIS 5 HA HIS 5 75.914 4.242 -4.138 40 1HB HIS 5 HB2 HIS 5 76.526 2.431 -6.487 41 2HB HIS 5 HB1 HIS 5 75.054 2.472 -5.516 42 HD1 HIS 5 HD1 HIS 5 73.951 5.097 -5.529 43 HD2 HIS 5 HD2 HIS 5 76.175 3.843 -8.825 44 HE1 HIS 5 HE1 HIS 5 73.300 6.612 -7.450 45 H ALA 6 HN ALA 6 76.570 3.225 -2.313 46 HA ALA 6 HA ALA 6 79.039 1.924 -1.930 47 1HB ALA 6 HB1 ALA 6 76.889 0.748 -0.332 48 2HB ALA 6 HB2 ALA 6 76.829 2.511 -0.349 49 3HB ALA 6 HB3 ALA 6 78.290 1.683 0.191 50 H THR 7 HN THR 7 76.098 0.748 -3.385 51 HA THR 7 HA THR 7 77.121 -2.043 -3.348 52 HB THR 7 HB THR 7 74.614 -1.562 -4.787 53 HG1 THR 7 HG1 THR 7 73.955 -0.113 -3.406 54 1HG2 THR 7 HG21 THR 7 75.127 -3.167 -2.278 55 2HG2 THR 7 HG22 THR 7 75.592 -3.742 -3.880 56 3HG2 THR 7 HG23 THR 7 73.894 -3.442 -3.508 57 H SER 8 HN SER 8 77.228 -3.231 -5.406 58 HA SER 8 HA SER 8 78.380 -1.579 -7.525 59 1HB SER 8 HB2 SER 8 79.543 -3.569 -7.437 60 2HB SER 8 HB1 SER 8 78.126 -4.494 -6.952 61 HG SER 8 HG SER 8 78.082 -5.036 -8.985 62 H ALA 9 HN ALA 9 75.610 -3.812 -7.289 63 HA ALA 9 HA ALA 9 74.564 -2.724 -9.844 64 1HB ALA 9 HB1 ALA 9 72.744 -4.534 -9.319 65 2HB ALA 9 HB2 ALA 9 73.919 -5.119 -8.141 66 3HB ALA 9 HB3 ALA 9 74.342 -5.057 -9.852 67 H ASP 10 HN ASP 10 72.060 -2.395 -9.798 68 HA ASP 10 HA ASP 10 71.113 -1.290 -7.218 69 1HB ASP 10 HB2 ASP 10 72.309 0.424 -8.954 70 2HB ASP 10 HB1 ASP 10 70.652 0.479 -9.555 71 H CYS 11 HN CYS 11 70.384 -1.845 -10.666 72 HA CYS 11 HA CYS 11 67.517 -1.815 -10.278 73 1HB CYS 11 HB2 CYS 11 69.035 -3.191 -12.509 74 2HB CYS 11 HB1 CYS 11 67.380 -2.583 -12.552 75 H CYS 12 HN CYS 12 66.111 -3.584 -10.022 76 HA CYS 12 HA CYS 12 67.432 -6.072 -9.055 77 1HB CYS 12 HB2 CYS 12 64.838 -4.702 -8.486 78 2HB CYS 12 HB1 CYS 12 64.883 -6.460 -8.354 79 H ILE 13 HN ILE 13 66.905 -8.084 -9.953 80 HA ILE 13 HA ILE 13 65.370 -7.955 -12.516 81 HB ILE 13 HB ILE 13 67.440 -9.992 -11.633 82 1HG1 ILE 13 HG12 ILE 13 67.652 -7.700 -13.615 83 2HG1 ILE 13 HG11 ILE 13 68.402 -7.735 -12.018 84 1HG2 ILE 13 HG21 ILE 13 67.234 -10.089 -14.371 85 2HG2 ILE 13 HG22 ILE 13 65.565 -9.775 -13.897 86 3HG2 ILE 13 HG23 ILE 13 66.409 -11.189 -13.267 87 1HD1 ILE 13 HD11 ILE 13 69.732 -9.685 -12.644 88 2HD1 ILE 13 HD12 ILE 13 69.984 -8.402 -13.828 89 3HD1 ILE 13 HD13 ILE 13 68.928 -9.762 -14.212 90 H SER 14 HN SER 14 65.355 -9.177 -9.334 91 HA SER 14 HA SER 14 62.875 -10.658 -9.880 92 1HB SER 14 HB2 SER 14 64.538 -12.401 -10.286 93 2HB SER 14 HB1 SER 14 65.341 -12.029 -8.763 94 HG SER 14 HG SER 14 63.289 -12.555 -7.751 95 H TYR 15 HN TYR 15 61.592 -9.772 -8.328 96 HA TYR 15 HA TYR 15 62.718 -8.776 -5.819 97 1HB TYR 15 HB2 TYR 15 59.774 -9.097 -6.383 98 2HB TYR 15 HB1 TYR 15 60.581 -7.873 -5.403 99 HD1 TYR 15 HD1 TYR 15 58.609 -7.584 -7.864 100 HD2 TYR 15 HD2 TYR 15 62.871 -7.341 -7.393 101 HE1 TYR 15 HE1 TYR 15 58.741 -6.091 -9.840 102 HE2 TYR 15 HE2 TYR 15 63.004 -5.848 -9.369 103 HH TYR 15 HH TYR 15 60.366 -5.390 -11.505 104 H THR 16 HN THR 16 61.322 -9.436 -3.755 105 HA THR 16 HA THR 16 61.698 -12.334 -3.475 106 HB THR 16 HB THR 16 62.391 -10.724 -1.691 107 HG1 THR 16 HG1 THR 16 60.314 -12.283 -0.642 108 1HG2 THR 16 HG21 THR 16 60.799 -9.507 -0.432 109 2HG2 THR 16 HG22 THR 16 59.450 -10.433 -1.089 110 3HG2 THR 16 HG23 THR 16 60.303 -9.273 -2.108 111 HA PRO 17 HA PRO 17 57.355 -12.954 -4.352 112 1HB PRO 17 HB2 PRO 17 57.488 -15.699 -4.289 113 2HB PRO 17 HB1 PRO 17 57.985 -14.727 -5.685 114 1HG PRO 17 HG2 PRO 17 59.684 -16.147 -3.688 115 2HG PRO 17 HG1 PRO 17 60.047 -15.721 -5.368 116 1HD PRO 17 HD2 PRO 17 60.972 -14.347 -3.071 117 2HD PRO 17 HD1 PRO 17 61.048 -13.755 -4.745 118 H ARG 18 HN ARG 18 57.128 -12.049 -2.020 119 HA ARG 18 HA ARG 18 55.757 -14.059 -0.397 120 1HB ARG 18 HB2 ARG 18 58.444 -12.979 0.348 121 2HB ARG 18 HB1 ARG 18 57.251 -13.176 1.633 122 1HG ARG 18 HG2 ARG 18 56.917 -15.548 0.460 123 2HG ARG 18 HG1 ARG 18 58.578 -15.252 -0.056 124 1HD ARG 18 HD2 ARG 18 59.361 -15.729 1.999 125 2HD ARG 18 HD1 ARG 18 58.267 -14.556 2.732 126 HE ARG 18 HE ARG 18 56.868 -16.983 2.013 127 1HH1 ARG 18 HH21 ARG 18 59.478 -17.552 3.659 128 2HH1 ARG 18 HH22 ARG 18 58.794 -17.684 5.245 129 1HH2 ARG 18 HH11 ARG 18 55.757 -16.277 4.340 130 2HH2 ARG 18 HH12 ARG 18 56.687 -16.962 5.631 131 H SER 19 HN SER 19 54.480 -13.050 1.295 132 HA SER 19 HA SER 19 53.910 -10.203 0.701 133 1HB SER 19 HB2 SER 19 52.443 -12.357 2.228 134 2HB SER 19 HB1 SER 19 51.956 -10.667 2.310 135 HG SER 19 HG SER 19 50.889 -11.879 0.644 136 H ILE 20 HN ILE 20 55.897 -9.431 1.765 137 HA ILE 20 HA ILE 20 56.221 -9.898 4.630 138 HB ILE 20 HB ILE 20 57.600 -8.072 2.651 139 1HG1 ILE 20 HG12 ILE 20 58.864 -10.263 4.274 140 2HG1 ILE 20 HG11 ILE 20 57.915 -10.684 2.847 141 1HG2 ILE 20 HG21 ILE 20 59.166 -7.509 4.458 142 2HG2 ILE 20 HG22 ILE 20 58.218 -8.467 5.595 143 3HG2 ILE 20 HG23 ILE 20 57.532 -7.003 4.889 144 1HD1 ILE 20 HD11 ILE 20 60.600 -9.784 2.922 145 2HD1 ILE 20 HD12 ILE 20 59.651 -8.473 2.219 146 3HD1 ILE 20 HD13 ILE 20 59.608 -10.081 1.495 147 HA PRO 21 HA PRO 21 53.478 -6.575 5.720 148 1HB PRO 21 HB2 PRO 21 53.923 -6.721 8.428 149 2HB PRO 21 HB1 PRO 21 52.880 -7.851 7.546 150 1HG PRO 21 HG2 PRO 21 55.616 -8.290 8.646 151 2HG PRO 21 HG1 PRO 21 54.330 -9.467 8.335 152 1HD PRO 21 HD2 PRO 21 56.600 -9.013 6.700 153 2HD PRO 21 HD1 PRO 21 55.158 -9.951 6.255 154 H CYS 22 HN CYS 22 53.693 -4.375 6.481 155 HA CYS 22 HA CYS 22 56.280 -3.192 6.129 156 1HB CYS 22 HB2 CYS 22 53.837 -2.000 7.472 157 2HB CYS 22 HB1 CYS 22 55.185 -1.118 6.763 158 H SER 23 HN SER 23 54.533 -4.375 8.927 159 HA SER 23 HA SER 23 55.771 -3.049 11.044 160 1HB SER 23 HB2 SER 23 55.378 -5.050 12.377 161 2HB SER 23 HB1 SER 23 54.025 -4.828 11.271 162 HG SER 23 HG SER 23 54.529 -6.863 10.865 163 H LEU 24 HN LEU 24 57.155 -5.395 8.841 164 HA LEU 24 HA LEU 24 59.654 -5.462 10.457 165 1HB LEU 24 HB2 LEU 24 58.325 -7.462 9.087 166 2HB LEU 24 HB1 LEU 24 59.609 -7.012 7.964 167 HG LEU 24 HG LEU 24 60.714 -7.093 10.603 168 1HD1 LEU 24 HD11 LEU 24 60.050 -9.862 10.159 169 2HD1 LEU 24 HD12 LEU 24 58.567 -8.919 10.307 170 3HD1 LEU 24 HD13 LEU 24 59.770 -8.879 11.596 171 1HD2 LEU 24 HD21 LEU 24 62.385 -8.167 9.478 172 2HD2 LEU 24 HD22 LEU 24 61.475 -7.685 8.046 173 3HD2 LEU 24 HD23 LEU 24 61.273 -9.304 8.717 174 H LEU 25 HN LEU 25 58.485 -3.300 8.495 175 HA LEU 25 HA LEU 25 61.042 -2.970 6.975 176 1HB LEU 25 HB2 LEU 25 58.248 -2.164 6.109 177 2HB LEU 25 HB1 LEU 25 59.730 -1.839 5.209 178 HG LEU 25 HG LEU 25 58.743 -4.606 5.962 179 1HD1 LEU 25 HD11 LEU 25 58.830 -3.399 3.195 180 2HD1 LEU 25 HD12 LEU 25 57.402 -3.250 4.219 181 3HD1 LEU 25 HD13 LEU 25 57.975 -4.845 3.733 182 1HD2 LEU 25 HD21 LEU 25 60.631 -4.446 3.780 183 2HD2 LEU 25 HD22 LEU 25 60.775 -5.327 5.301 184 3HD2 LEU 25 HD23 LEU 25 61.295 -3.645 5.203 185 H GLU 26 HN GLU 26 62.102 -1.106 7.459 186 HA GLU 26 HA GLU 26 60.720 0.878 9.173 187 1HB GLU 26 HB2 GLU 26 62.926 1.750 9.643 188 2HB GLU 26 HB1 GLU 26 63.009 -0.008 9.759 189 1HG GLU 26 HG2 GLU 26 63.510 0.523 7.063 190 2HG GLU 26 HG1 GLU 26 64.394 1.783 7.925 191 H SER 27 HN SER 27 62.004 0.513 5.935 192 HA SER 27 HA SER 27 60.614 2.870 5.017 193 1HB SER 27 HB2 SER 27 62.676 4.136 4.326 194 2HB SER 27 HB1 SER 27 62.430 4.079 6.069 195 HG SER 27 HG SER 27 64.214 2.567 4.470 196 H TYR 28 HN TYR 28 61.399 3.358 2.643 197 HA TYR 28 HA TYR 28 62.699 1.121 1.280 198 1HB TYR 28 HB2 TYR 28 60.810 0.371 0.001 199 2HB TYR 28 HB1 TYR 28 60.308 0.355 1.692 200 HD1 TYR 28 HD1 TYR 28 58.697 1.960 2.550 201 HD2 TYR 28 HD2 TYR 28 60.001 2.111 -1.540 202 HE1 TYR 28 HE1 TYR 28 56.843 3.519 2.017 203 HE2 TYR 28 HE2 TYR 28 58.147 3.670 -2.073 204 HH TYR 28 HH TYR 28 56.281 4.631 -1.315 205 H PHE 29 HN PHE 29 62.867 1.575 -1.089 206 HA PHE 29 HA PHE 29 62.194 4.344 -1.892 207 1HB PHE 29 HB2 PHE 29 64.697 4.396 -2.793 208 2HB PHE 29 HB1 PHE 29 64.314 4.920 -1.154 209 HD1 PHE 29 HD1 PHE 29 66.102 2.522 -3.183 210 HD2 PHE 29 HD2 PHE 29 64.536 3.247 0.750 211 HE1 PHE 29 HE1 PHE 29 67.578 0.752 -2.269 212 HE2 PHE 29 HE2 PHE 29 66.012 1.477 1.664 213 HZ PHE 29 HZ PHE 29 67.533 0.229 0.155 214 H GLU 30 HN GLU 30 62.769 4.658 -4.275 215 HA GLU 30 HA GLU 30 62.129 2.138 -5.713 216 1HB GLU 30 HB2 GLU 30 62.182 4.954 -6.828 217 2HB GLU 30 HB1 GLU 30 61.402 3.536 -7.529 218 1HG GLU 30 HG2 GLU 30 60.093 3.472 -5.253 219 2HG GLU 30 HG1 GLU 30 60.568 5.168 -5.148 220 H THR 31 HN THR 31 63.235 1.962 -7.946 221 HA THR 31 HA THR 31 66.144 2.437 -7.537 222 HB THR 31 HB THR 31 66.311 0.814 -9.519 223 HG1 THR 31 HG1 THR 31 64.467 0.412 -10.407 224 1HG2 THR 31 HG21 THR 31 66.828 -0.068 -7.392 225 2HG2 THR 31 HG22 THR 31 65.581 -1.152 -8.008 226 3HG2 THR 31 HG23 THR 31 65.165 0.090 -6.827 227 H ASN 32 HN ASN 32 67.262 2.681 -9.876 228 HA ASN 32 HA ASN 32 66.408 5.254 -10.869 229 1HB ASN 32 HB2 ASN 32 68.674 3.501 -11.183 230 2HB ASN 32 HB1 ASN 32 68.126 4.042 -12.771 231 1HD2 ASN 32 HD21 ASN 32 69.815 5.013 -9.913 232 2HD2 ASN 32 HD22 ASN 32 70.000 6.651 -10.318 233 H SER 33 HN SER 33 64.470 5.335 -11.946 234 HA SER 33 HA SER 33 63.163 3.329 -13.363 235 1HB SER 33 HB2 SER 33 62.349 5.708 -12.874 236 2HB SER 33 HB1 SER 33 63.226 6.198 -14.321 237 HG SER 33 HG SER 33 61.883 5.015 -15.547 238 H GLU 34 HN GLU 34 65.995 5.122 -14.305 239 HA GLU 34 HA GLU 34 66.041 4.957 -17.069 240 1HB GLU 34 HB2 GLU 34 68.149 4.650 -14.971 241 2HB GLU 34 HB1 GLU 34 68.574 4.258 -16.638 242 1HG GLU 34 HG2 GLU 34 67.289 6.590 -17.059 243 2HG GLU 34 HG1 GLU 34 67.892 6.887 -15.428 244 H CYS 35 HN CYS 35 66.664 2.320 -14.778 245 HA CYS 35 HA CYS 35 67.353 0.347 -16.733 246 1HB CYS 35 HB2 CYS 35 66.590 0.379 -13.881 247 2HB CYS 35 HB1 CYS 35 66.182 -1.111 -14.732 248 H SER 36 HN SER 36 66.073 -0.714 -18.173 249 HA SER 36 HA SER 36 63.409 -0.021 -18.714 250 1HB SER 36 HB2 SER 36 63.293 -2.113 -20.020 251 2HB SER 36 HB1 SER 36 64.827 -1.289 -20.285 252 HG SER 36 HG SER 36 65.646 -3.135 -19.697 253 H LYS 37 HN LYS 37 64.672 -2.361 -16.410 254 HA LYS 37 HA LYS 37 61.852 -2.938 -15.587 255 1HB LYS 37 HB2 LYS 37 64.265 -4.718 -15.149 256 2HB LYS 37 HB1 LYS 37 62.576 -5.122 -14.845 257 1HG LYS 37 HG2 LYS 37 62.531 -4.328 -17.489 258 2HG LYS 37 HG1 LYS 37 64.079 -5.164 -17.366 259 1HD LYS 37 HD2 LYS 37 61.521 -6.353 -16.280 260 2HD LYS 37 HD1 LYS 37 62.050 -6.620 -17.941 261 1HE LYS 37 HE2 LYS 37 64.036 -7.727 -17.245 262 2HE LYS 37 HE1 LYS 37 63.866 -7.154 -15.586 263 1HZ LYS 37 HZ1 LYS 37 62.675 -8.939 -15.110 264 2HZ LYS 37 HZ2 LYS 37 62.888 -9.517 -16.694 265 3HZ LYS 37 HZ3 LYS 37 61.543 -8.552 -16.312 266 HA PRO 38 HA PRO 38 63.894 -0.757 -12.107 267 1HB PRO 38 HB2 PRO 38 61.751 0.892 -11.613 268 2HB PRO 38 HB1 PRO 38 63.041 1.281 -12.764 269 1HG PRO 38 HG2 PRO 38 60.247 0.389 -13.307 270 2HG PRO 38 HG1 PRO 38 61.331 1.361 -14.316 271 1HD PRO 38 HD2 PRO 38 60.772 -1.392 -14.662 272 2HD PRO 38 HD1 PRO 38 62.092 -0.490 -15.437 273 H GLY 39 HN GLY 39 62.572 -0.247 -9.858 274 1HA GLY 39 HA2 GLY 39 60.356 -1.848 -9.170 275 2HA GLY 39 HA1 GLY 39 61.821 -2.752 -8.802 276 H VAL 40 HN VAL 40 60.473 -2.267 -6.606 277 HA VAL 40 HA VAL 40 61.669 0.210 -5.427 278 HB VAL 40 HB VAL 40 59.218 -1.311 -4.489 279 1HG1 VAL 40 HG11 VAL 40 60.623 0.029 -2.813 280 2HG1 VAL 40 HG12 VAL 40 58.918 0.466 -2.929 281 3HG1 VAL 40 HG13 VAL 40 60.140 1.463 -3.718 282 1HG2 VAL 40 HG21 VAL 40 58.192 0.996 -5.282 283 2HG2 VAL 40 HG22 VAL 40 58.458 -0.301 -6.446 284 3HG2 VAL 40 HG23 VAL 40 59.611 1.028 -6.328 285 H ILE 41 HN ILE 41 62.839 -0.018 -3.508 286 HA ILE 41 HA ILE 41 63.335 -2.839 -2.652 287 HB ILE 41 HB ILE 41 65.096 -0.376 -2.537 288 1HG1 ILE 41 HG12 ILE 41 66.029 -2.926 -3.709 289 2HG1 ILE 41 HG11 ILE 41 64.702 -2.156 -4.579 290 1HG2 ILE 41 HG21 ILE 41 65.875 -1.351 -0.626 291 2HG2 ILE 41 HG22 ILE 41 66.683 -2.445 -1.749 292 3HG2 ILE 41 HG23 ILE 41 65.151 -2.913 -1.010 293 1HD1 ILE 41 HD11 ILE 41 67.502 -1.236 -4.197 294 2HD1 ILE 41 HD12 ILE 41 66.254 0.009 -4.133 295 3HD1 ILE 41 HD13 ILE 41 66.418 -1.003 -5.568 296 H PHE 42 HN PHE 42 62.970 -3.366 -0.520 297 HA PHE 42 HA PHE 42 62.115 -1.131 1.278 298 1HB PHE 42 HB2 PHE 42 61.201 -4.023 1.205 299 2HB PHE 42 HB1 PHE 42 60.720 -2.855 2.435 300 HD1 PHE 42 HD1 PHE 42 60.927 -3.095 -1.309 301 HD2 PHE 42 HD2 PHE 42 58.711 -1.727 2.107 302 HE1 PHE 42 HE1 PHE 42 59.138 -2.254 -2.806 303 HE2 PHE 42 HE2 PHE 42 56.922 -0.885 0.610 304 HZ PHE 42 HZ PHE 42 57.135 -1.149 -1.847 305 H LEU 43 HN LEU 43 63.230 -0.926 3.180 306 HA LEU 43 HA LEU 43 65.314 -2.978 3.748 307 1HB LEU 43 HB2 LEU 43 65.877 -0.483 3.471 308 2HB LEU 43 HB1 LEU 43 65.085 -0.250 5.029 309 HG LEU 43 HG LEU 43 66.630 -2.172 5.852 310 1HD1 LEU 43 HD11 LEU 43 68.021 -3.046 4.313 311 2HD1 LEU 43 HD12 LEU 43 68.805 -1.473 4.169 312 3HD1 LEU 43 HD13 LEU 43 67.458 -1.886 3.109 313 1HD2 LEU 43 HD21 LEU 43 66.765 0.483 6.119 314 2HD2 LEU 43 HD22 LEU 43 68.224 0.261 5.153 315 3HD2 LEU 43 HD23 LEU 43 68.059 -0.563 6.704 316 H THR 44 HN THR 44 65.232 -4.164 5.628 317 HA THR 44 HA THR 44 62.881 -3.683 7.397 318 HB THR 44 HB THR 44 62.875 -5.962 7.873 319 HG1 THR 44 HG1 THR 44 64.703 -7.204 7.860 320 1HG2 THR 44 HG21 THR 44 64.269 -6.584 5.383 321 2HG2 THR 44 HG22 THR 44 63.142 -5.240 5.204 322 3HG2 THR 44 HG23 THR 44 62.569 -6.798 5.799 323 H LYS 45 HN LYS 45 63.370 -4.344 9.781 324 HA LYS 45 HA LYS 45 65.590 -2.672 10.685 325 1HB LYS 45 HB2 LYS 45 63.311 -2.873 11.824 326 2HB LYS 45 HB1 LYS 45 63.845 -4.454 12.398 327 1HG LYS 45 HG2 LYS 45 65.864 -2.394 12.842 328 2HG LYS 45 HG1 LYS 45 64.340 -2.011 13.644 329 1HD LYS 45 HD2 LYS 45 64.421 -4.529 14.392 330 2HD LYS 45 HD1 LYS 45 66.144 -4.379 14.046 331 1HE LYS 45 HE2 LYS 45 65.946 -3.799 16.337 332 2HE LYS 45 HE1 LYS 45 66.075 -2.254 15.497 333 1HZ LYS 45 HZ1 LYS 45 64.265 -2.366 17.173 334 2HZ LYS 45 HZ2 LYS 45 63.495 -3.533 16.207 335 3HZ LYS 45 HZ3 LYS 45 63.735 -1.959 15.614 336 H LYS 46 HN LYS 46 65.595 -5.695 9.474 337 HA LYS 46 HA LYS 46 67.513 -6.787 11.474 338 1HB LYS 46 HB2 LYS 46 65.453 -8.034 10.202 339 2HB LYS 46 HB1 LYS 46 66.781 -8.407 9.103 340 1HG LYS 46 HG2 LYS 46 67.091 -10.143 10.572 341 2HG LYS 46 HG1 LYS 46 68.012 -8.917 11.444 342 1HD LYS 46 HD2 LYS 46 66.346 -8.591 13.026 343 2HD LYS 46 HD1 LYS 46 65.062 -9.106 11.932 344 1HE LYS 46 HE2 LYS 46 65.139 -11.126 12.926 345 2HE LYS 46 HE1 LYS 46 66.729 -11.348 12.196 346 1HZ LYS 46 HZ1 LYS 46 66.023 -10.711 14.925 347 2HZ LYS 46 HZ2 LYS 46 67.305 -9.790 14.297 348 3HZ LYS 46 HZ3 LYS 46 67.401 -11.487 14.313 349 H GLY 47 HN GLY 47 68.076 -4.592 9.502 350 1HA GLY 47 HA2 GLY 47 69.812 -3.964 8.070 351 2HA GLY 47 HA1 GLY 47 70.695 -5.322 8.763 352 H ARG 48 HN ARG 48 67.646 -5.776 7.107 353 HA ARG 48 HA ARG 48 69.141 -7.162 4.917 354 1HB ARG 48 HB2 ARG 48 67.304 -8.259 6.623 355 2HB ARG 48 HB1 ARG 48 66.273 -7.781 5.273 356 1HG ARG 48 HG2 ARG 48 66.932 -9.826 4.462 357 2HG ARG 48 HG1 ARG 48 68.302 -8.877 3.885 358 1HD ARG 48 HD2 ARG 48 69.505 -10.474 5.000 359 2HD ARG 48 HD1 ARG 48 69.163 -9.439 6.387 360 HE ARG 48 HE ARG 48 67.107 -10.986 6.706 361 1HH1 ARG 48 HH21 ARG 48 70.194 -11.894 7.035 362 2HH1 ARG 48 HH22 ARG 48 69.991 -13.570 6.646 363 1HH2 ARG 48 HH11 ARG 48 66.775 -13.167 5.414 364 2HH2 ARG 48 HH12 ARG 48 68.055 -14.290 5.728 365 H ARG 49 HN ARG 49 68.064 -7.063 2.761 366 HA ARG 49 HA ARG 49 66.118 -4.869 2.398 367 1HB ARG 49 HB2 ARG 49 67.499 -3.634 0.841 368 2HB ARG 49 HB1 ARG 49 68.417 -3.832 2.334 369 1HG ARG 49 HG2 ARG 49 69.151 -6.092 1.016 370 2HG ARG 49 HG1 ARG 49 68.898 -5.000 -0.346 371 1HD ARG 49 HD2 ARG 49 70.412 -3.931 1.988 372 2HD ARG 49 HD1 ARG 49 71.234 -5.108 0.965 373 HE ARG 49 HE ARG 49 70.956 -2.415 0.273 374 1HH1 ARG 49 HH21 ARG 49 71.124 -5.498 -1.089 375 2HH1 ARG 49 HH22 ARG 49 70.727 -4.992 -2.697 376 1HH2 ARG 49 HH11 ARG 49 69.974 -1.736 -1.772 377 2HH2 ARG 49 HH12 ARG 49 70.075 -2.862 -3.084 378 H PHE 50 HN PHE 50 64.746 -5.354 0.730 379 HA PHE 50 HA PHE 50 65.655 -7.265 -1.358 380 1HB PHE 50 HB2 PHE 50 63.492 -8.513 -1.124 381 2HB PHE 50 HB1 PHE 50 64.542 -8.675 0.284 382 HD1 PHE 50 HD1 PHE 50 63.999 -7.597 2.400 383 HD2 PHE 50 HD2 PHE 50 61.470 -7.124 -1.040 384 HE1 PHE 50 HE1 PHE 50 62.210 -6.665 3.843 385 HE2 PHE 50 HE2 PHE 50 59.682 -6.191 0.403 386 HZ PHE 50 HZ PHE 50 60.051 -5.962 2.844 387 H CYS 51 HN CYS 51 64.211 -7.218 -3.271 388 HA CYS 51 HA CYS 51 63.071 -4.508 -3.629 389 1HB CYS 51 HB2 CYS 51 64.025 -6.685 -5.452 390 2HB CYS 51 HB1 CYS 51 62.848 -5.526 -6.066 391 H ALA 52 HN ALA 52 60.940 -4.284 -4.664 392 HA ALA 52 HA ALA 52 59.163 -6.655 -4.412 393 1HB ALA 52 HB1 ALA 52 57.939 -4.165 -3.437 394 2HB ALA 52 HB2 ALA 52 59.257 -4.746 -2.420 395 3HB ALA 52 HB3 ALA 52 57.875 -5.790 -2.755 396 H ASN 53 HN ASN 53 57.156 -6.384 -5.646 397 HA ASN 53 HA ASN 53 57.587 -4.770 -8.048 398 1HB ASN 53 HB2 ASN 53 56.539 -7.123 -7.939 399 2HB ASN 53 HB1 ASN 53 55.078 -6.310 -7.378 400 1HD2 ASN 53 HD21 ASN 53 56.895 -7.137 -10.187 401 2HD2 ASN 53 HD22 ASN 53 56.010 -6.214 -11.303 402 HA PRO 54 HA PRO 54 55.256 -1.323 -6.565 403 1HB PRO 54 HB2 PRO 54 54.990 -0.044 -8.985 404 2HB PRO 54 HB1 PRO 54 56.481 -0.032 -8.027 405 1HG PRO 54 HG2 PRO 54 55.858 -1.560 -10.513 406 2HG PRO 54 HG1 PRO 54 57.424 -1.001 -9.902 407 1HD PRO 54 HD2 PRO 54 56.436 -3.639 -9.718 408 2HD PRO 54 HD1 PRO 54 57.808 -2.979 -8.803 409 H SER 55 HN SER 55 54.070 -3.796 -8.482 410 HA SER 55 HA SER 55 51.392 -2.518 -8.778 411 1HB SER 55 HB2 SER 55 52.790 -4.773 -10.167 412 2HB SER 55 HB1 SER 55 51.032 -4.805 -10.076 413 HG SER 55 HG SER 55 50.923 -3.060 -11.311 414 H ASP 56 HN ASP 56 53.099 -4.441 -6.648 415 HA ASP 56 HA ASP 56 51.016 -6.363 -5.988 416 1HB ASP 56 HB2 ASP 56 53.471 -6.671 -5.480 417 2HB ASP 56 HB1 ASP 56 53.306 -5.430 -4.237 418 H LYS 57 HN LYS 57 49.349 -6.112 -4.537 419 HA LYS 57 HA LYS 57 48.536 -3.490 -3.744 420 1HB LYS 57 HB2 LYS 57 46.962 -4.821 -2.188 421 2HB LYS 57 HB1 LYS 57 46.812 -5.107 -3.922 422 1HG LYS 57 HG2 LYS 57 48.841 -6.842 -2.837 423 2HG LYS 57 HG1 LYS 57 47.353 -7.022 -1.908 424 1HD LYS 57 HD2 LYS 57 46.089 -7.591 -3.841 425 2HD LYS 57 HD1 LYS 57 47.362 -7.038 -4.929 426 1HE LYS 57 HE2 LYS 57 48.657 -8.926 -4.601 427 2HE LYS 57 HE1 LYS 57 48.025 -9.205 -2.979 428 1HZ LYS 57 HZ1 LYS 57 46.330 -9.487 -5.385 429 2HZ LYS 57 HZ2 LYS 57 46.054 -10.093 -3.822 430 3HZ LYS 57 HZ3 LYS 57 47.266 -10.774 -4.798 431 H GLN 58 HN GLN 58 50.357 -6.017 -2.071 432 HA GLN 58 HA GLN 58 50.274 -4.819 0.534 433 1HB GLN 58 HB2 GLN 58 51.045 -7.188 -0.089 434 2HB GLN 58 HB1 GLN 58 52.580 -6.449 -0.546 435 1HG GLN 58 HG2 GLN 58 53.079 -6.858 1.655 436 2HG GLN 58 HG1 GLN 58 52.259 -5.312 1.878 437 1HE2 GLN 58 HE21 GLN 58 51.073 -5.602 3.795 438 2HE2 GLN 58 HE22 GLN 58 50.000 -6.888 4.071 439 H VAL 59 HN VAL 59 52.218 -4.208 -2.320 440 HA VAL 59 HA VAL 59 54.209 -2.605 -0.921 441 HB VAL 59 HB VAL 59 53.488 -2.954 -3.839 442 1HG1 VAL 59 HG11 VAL 59 55.775 -1.693 -4.093 443 2HG1 VAL 59 HG12 VAL 59 55.380 -1.034 -2.506 444 3HG1 VAL 59 HG13 VAL 59 54.297 -0.757 -3.869 445 1HG2 VAL 59 HG21 VAL 59 54.675 -4.842 -3.099 446 2HG2 VAL 59 HG22 VAL 59 55.667 -3.899 -1.987 447 3HG2 VAL 59 HG23 VAL 59 55.958 -3.807 -3.723 448 H GLN 60 HN GLN 60 51.291 -1.921 -2.845 449 HA GLN 60 HA GLN 60 51.522 0.936 -2.716 450 1HB GLN 60 HB2 GLN 60 48.976 -0.702 -2.907 451 2HB GLN 60 HB1 GLN 60 49.194 0.974 -3.412 452 1HG GLN 60 HG2 GLN 60 50.290 0.395 -5.335 453 2HG GLN 60 HG1 GLN 60 51.083 -0.993 -4.587 454 1HE2 GLN 60 HE21 GLN 60 50.385 -2.270 -6.529 455 2HE2 GLN 60 HE22 GLN 60 48.788 -2.839 -6.621 456 H VAL 61 HN VAL 61 50.155 -1.479 -0.539 457 HA VAL 61 HA VAL 61 48.867 0.470 1.192 458 HB VAL 61 HB VAL 61 49.698 -2.368 1.857 459 1HG1 VAL 61 HG11 VAL 61 47.580 -2.103 3.312 460 2HG1 VAL 61 HG12 VAL 61 47.756 -0.372 3.024 461 3HG1 VAL 61 HG13 VAL 61 49.036 -1.264 3.846 462 1HG2 VAL 61 HG21 VAL 61 48.054 -1.634 -0.225 463 2HG2 VAL 61 HG22 VAL 61 46.902 -1.826 1.097 464 3HG2 VAL 61 HG23 VAL 61 47.951 -3.168 0.639 465 H CYS 62 HN CYS 62 52.048 -1.001 0.988 466 HA CYS 62 HA CYS 62 52.880 -0.182 3.651 467 1HB CYS 62 HB2 CYS 62 53.881 -1.947 1.841 468 2HB CYS 62 HB1 CYS 62 54.948 -0.571 1.563 469 H MET 63 HN MET 63 53.125 1.197 0.394 470 HA MET 63 HA MET 63 54.908 3.336 1.083 471 1HB MET 63 HB2 MET 63 54.159 4.378 -0.999 472 2HB MET 63 HB1 MET 63 54.394 2.649 -1.258 473 1HG MET 63 HG2 MET 63 52.163 2.254 -1.558 474 2HG MET 63 HG1 MET 63 51.686 3.458 -0.362 475 1HE MET 63 HE1 MET 63 50.396 2.743 -3.047 476 2HE MET 63 HE2 MET 63 50.070 4.235 -3.926 477 3HE MET 63 HE3 MET 63 49.648 4.116 -2.220 478 H ARG 64 HN ARG 64 51.503 2.845 1.611 479 HA ARG 64 HA ARG 64 50.956 5.685 2.103 480 1HB ARG 64 HB2 ARG 64 49.412 3.211 1.900 481 2HB ARG 64 HB1 ARG 64 48.882 4.222 3.244 482 1HG ARG 64 HG2 ARG 64 49.201 5.123 0.365 483 2HG ARG 64 HG1 ARG 64 47.671 4.831 1.194 484 1HD ARG 64 HD2 ARG 64 49.063 6.566 2.891 485 2HD ARG 64 HD1 ARG 64 49.382 7.184 1.270 486 HE ARG 64 HE ARG 64 46.801 7.053 1.005 487 1HH1 ARG 64 HH11 ARG 64 48.367 9.100 2.942 488 2HH1 ARG 64 HH12 ARG 64 47.133 9.289 4.143 489 1HH2 ARG 64 HH21 ARG 64 45.240 6.619 2.999 490 2HH2 ARG 64 HH22 ARG 64 45.363 7.884 4.175 491 H MET 65 HN MET 65 51.520 2.758 4.037 492 HA MET 65 HA MET 65 51.085 4.131 6.568 493 1HB MET 65 HB2 MET 65 50.750 1.714 6.423 494 2HB MET 65 HB1 MET 65 52.428 1.487 5.926 495 1HG MET 65 HG2 MET 65 52.520 1.040 8.226 496 2HG MET 65 HG1 MET 65 52.997 2.736 8.148 497 1HE MET 65 HE1 MET 65 52.004 2.858 11.072 498 2HE MET 65 HE2 MET 65 52.271 1.231 10.450 499 3HE MET 65 HE3 MET 65 50.763 1.614 11.276 500 H LEU 66 HN LEU 66 53.898 3.296 4.580 501 HA LEU 66 HA LEU 66 55.835 4.196 6.544 502 1HB LEU 66 HB2 LEU 66 55.915 3.428 3.645 503 2HB LEU 66 HB1 LEU 66 57.288 4.291 4.338 504 HG LEU 66 HG LEU 66 57.464 1.768 4.453 505 1HD1 LEU 66 HD11 LEU 66 58.875 2.286 6.127 506 2HD1 LEU 66 HD12 LEU 66 57.523 2.241 7.259 507 3HD1 LEU 66 HD13 LEU 66 57.960 3.755 6.466 508 1HD2 LEU 66 HD21 LEU 66 55.993 0.511 5.746 509 2HD2 LEU 66 HD22 LEU 66 54.892 1.726 5.096 510 3HD2 LEU 66 HD23 LEU 66 55.521 1.892 6.736 511 H LYS 67 HN LYS 67 53.609 5.870 4.698 512 HA LYS 67 HA LYS 67 55.140 8.124 3.808 513 1HB LYS 67 HB2 LYS 67 52.345 7.381 4.000 514 2HB LYS 67 HB1 LYS 67 52.575 9.060 4.493 515 1HG LYS 67 HG2 LYS 67 54.206 8.844 2.267 516 2HG LYS 67 HG1 LYS 67 52.814 7.851 1.833 517 1HD LYS 67 HD2 LYS 67 51.348 9.634 1.887 518 2HD LYS 67 HD1 LYS 67 52.285 10.503 3.102 519 1HE LYS 67 HE2 LYS 67 53.975 11.088 1.450 520 2HE LYS 67 HE1 LYS 67 53.162 10.112 0.227 521 1HZ LYS 67 HZ1 LYS 67 51.246 11.551 0.374 522 2HZ LYS 67 HZ2 LYS 67 52.630 12.472 0.024 523 3HZ LYS 67 HZ3 LYS 67 51.983 12.469 1.595 524 H LEU 68 HN LEU 68 54.689 10.391 4.826 525 HA LEU 68 HA LEU 68 55.731 10.345 7.527 526 1HB LEU 68 HB2 LEU 68 54.740 12.543 5.705 527 2HB LEU 68 HB1 LEU 68 55.268 12.869 7.356 528 HG LEU 68 HG LEU 68 57.003 11.320 5.434 529 1HD1 LEU 68 HD11 LEU 68 57.132 13.217 4.192 530 2HD1 LEU 68 HD12 LEU 68 58.084 13.852 5.534 531 3HD1 LEU 68 HD13 LEU 68 56.356 14.192 5.440 532 1HD2 LEU 68 HD21 LEU 68 58.716 11.760 6.983 533 2HD2 LEU 68 HD22 LEU 68 57.318 11.495 8.025 534 3HD2 LEU 68 HD23 LEU 68 57.862 13.137 7.679 535 H ASP 69 HN ASP 69 53.985 9.080 8.554 536 HA ASP 69 HA ASP 69 51.289 10.112 8.696 537 1HB ASP 69 HB2 ASP 69 52.857 7.966 10.042 538 2HB ASP 69 HB1 ASP 69 51.435 8.567 10.897 539 H THR 70 HN THR 70 54.159 11.250 10.004 540 HA THR 70 HA THR 70 54.627 12.820 11.684 541 HB THR 70 HB THR 70 53.050 14.545 11.947 542 HG1 THR 70 HG1 THR 70 51.352 13.493 12.830 543 1HG2 THR 70 HG21 THR 70 53.607 14.332 9.598 544 2HG2 THR 70 HG22 THR 70 51.898 14.746 9.727 545 3HG2 THR 70 HG23 THR 70 52.379 13.085 9.379 546 H ARG 71 HN ARG 71 55.169 11.513 13.438 547 HA ARG 71 HA ARG 71 52.913 10.705 15.229 548 1HB ARG 71 HB2 ARG 71 55.365 9.343 14.357 549 2HB ARG 71 HB1 ARG 71 55.135 9.313 16.106 550 1HG ARG 71 HG2 ARG 71 52.594 8.802 14.993 551 2HG ARG 71 HG1 ARG 71 53.730 7.819 14.068 552 1HD ARG 71 HD2 ARG 71 54.626 7.480 16.656 553 2HD ARG 71 HD1 ARG 71 52.876 7.552 16.866 554 HE ARG 71 HE ARG 71 53.456 5.808 14.684 555 1HH1 ARG 71 HH21 ARG 71 55.475 5.270 17.036 556 2HH1 ARG 71 HH22 ARG 71 54.682 3.925 17.786 557 1HH2 ARG 71 HH11 ARG 71 51.689 4.412 16.105 558 2HH2 ARG 71 HH12 ARG 71 52.539 3.440 17.259 559 H ILE 72 HN ILE 72 54.273 13.345 15.113 560 HA ILE 72 HA ILE 72 55.178 14.912 16.609 561 HB ILE 72 HB ILE 72 54.279 12.882 18.676 562 1HG1 ILE 72 HG12 ILE 72 52.781 15.216 17.439 563 2HG1 ILE 72 HG11 ILE 72 52.472 13.514 17.090 564 1HG2 ILE 72 HG21 ILE 72 55.418 14.407 19.959 565 2HG2 ILE 72 HG22 ILE 72 53.909 15.305 19.800 566 3HG2 ILE 72 HG23 ILE 72 55.276 15.684 18.752 567 1HD1 ILE 72 HD11 ILE 72 52.434 13.636 19.872 568 2HD1 ILE 72 HD12 ILE 72 51.022 13.551 18.820 569 3HD1 ILE 72 HD13 ILE 72 51.615 15.117 19.374 570 H LYS 73 HN LYS 73 57.355 14.403 15.824 571 HA LYS 73 HA LYS 73 58.949 12.844 17.822 572 1HB LYS 73 HB2 LYS 73 58.718 12.068 15.294 573 2HB LYS 73 HB1 LYS 73 59.949 13.304 15.036 574 1HG LYS 73 HG2 LYS 73 61.432 12.246 16.637 575 2HG LYS 73 HG1 LYS 73 60.180 11.088 17.090 576 1HD LYS 73 HD2 LYS 73 61.107 9.737 15.525 577 2HD LYS 73 HD1 LYS 73 60.309 10.782 14.350 578 1HE LYS 73 HE2 LYS 73 62.255 11.978 13.888 579 2HE LYS 73 HE1 LYS 73 62.987 11.582 15.443 580 1HZ LYS 73 HZ1 LYS 73 63.206 9.285 14.701 581 2HZ LYS 73 HZ2 LYS 73 64.033 10.347 13.664 582 3HZ LYS 73 HZ3 LYS 73 62.536 9.692 13.197 583 H THR 74 HN THR 74 61.142 13.689 18.195 584 HA THR 74 HA THR 74 61.275 16.639 17.717 585 HB THR 74 HB THR 74 62.575 16.799 19.768 586 HG1 THR 74 HG1 THR 74 63.602 15.113 20.428 587 1HG2 THR 74 HG21 THR 74 60.729 15.227 21.154 588 2HG2 THR 74 HG22 THR 74 59.898 15.665 19.661 589 3HG2 THR 74 HG23 THR 74 60.536 16.925 20.717 590 H ARG 75 HN ARG 75 63.565 17.479 17.546 591 HA ARG 75 HA ARG 75 65.536 15.487 16.592 592 1HB ARG 75 HB2 ARG 75 65.919 16.877 14.511 593 2HB ARG 75 HB1 ARG 75 64.386 16.006 14.536 594 1HG ARG 75 HG2 ARG 75 63.221 18.028 15.291 595 2HG ARG 75 HG1 ARG 75 64.748 18.908 15.339 596 1HD ARG 75 HD2 ARG 75 63.632 19.449 13.256 597 2HD ARG 75 HD1 ARG 75 65.025 18.432 12.887 598 HE ARG 75 HE ARG 75 63.283 16.508 12.873 599 1HH1 ARG 75 HH11 ARG 75 63.430 18.302 10.399 600 2HH1 ARG 75 HH12 ARG 75 61.749 18.600 10.109 601 1HH2 ARG 75 HH21 ARG 75 60.746 17.533 13.252 602 2HH2 ARG 75 HH22 ARG 75 60.229 18.165 11.724 603 H LYS 76 HN LYS 76 67.661 16.709 16.039 604 HA LYS 76 HA LYS 76 68.004 19.328 17.284 605 1HB LYS 76 HB2 LYS 76 67.966 17.890 19.285 606 2HB LYS 76 HB1 LYS 76 69.234 16.880 18.589 607 1HG LYS 76 HG2 LYS 76 70.847 18.612 18.727 608 2HG LYS 76 HG1 LYS 76 69.614 19.850 18.973 609 1HD LYS 76 HD2 LYS 76 69.035 18.774 21.156 610 2HD LYS 76 HD1 LYS 76 70.377 17.654 20.920 611 1HE LYS 76 HE2 LYS 76 71.900 19.659 20.714 612 2HE LYS 76 HE1 LYS 76 70.537 20.666 21.201 613 1HZ LYS 76 HZ1 LYS 76 70.365 19.352 23.237 614 2HZ LYS 76 HZ2 LYS 76 71.886 20.096 23.102 615 3HZ LYS 76 HZ3 LYS 76 71.715 18.438 22.772 616 H ASN 77 HN ASN 77 69.920 16.385 16.546 617 HA ASN 77 HA ASN 77 71.767 16.115 15.121 618 1HB ASN 77 HB2 ASN 77 70.133 17.376 13.561 619 2HB ASN 77 HB1 ASN 77 71.102 18.805 13.925 620 1HD2 ASN 77 HD21 ASN 77 71.047 15.788 12.149 621 2HD2 ASN 77 HD22 ASN 77 72.565 15.969 11.410 Start of MODEL 9 1 1H MET 1 HT1 MET 1 79.765 -1.805 -26.825 2 2H MET 1 HT2 MET 1 81.151 -1.000 -26.260 3 3H MET 1 HT3 MET 1 79.983 -1.560 -25.161 4 HA MET 1 HA MET 1 80.468 -3.868 -25.959 5 1HB MET 1 HB2 MET 1 82.091 -2.319 -27.761 6 2HB MET 1 HB1 MET 1 83.132 -3.377 -26.808 7 1HG MET 1 HG2 MET 1 80.607 -4.415 -28.090 8 2HG MET 1 HG1 MET 1 82.124 -4.343 -28.986 9 1HE MET 1 HE1 MET 1 82.807 -7.559 -28.879 10 2HE MET 1 HE2 MET 1 84.225 -6.693 -28.294 11 3HE MET 1 HE3 MET 1 83.127 -5.908 -29.426 12 H ASP 2 HN ASP 2 81.810 -1.138 -24.402 13 HA ASP 2 HA ASP 2 83.867 -2.525 -22.891 14 1HB ASP 2 HB2 ASP 2 83.458 0.070 -23.353 15 2HB ASP 2 HB1 ASP 2 82.564 -0.048 -21.837 16 H ARG 3 HN ARG 3 83.693 -3.437 -20.837 17 HA ARG 3 HA ARG 3 81.187 -4.507 -20.022 18 1HB ARG 3 HB2 ARG 3 83.926 -4.516 -19.055 19 2HB ARG 3 HB1 ARG 3 82.783 -4.391 -17.716 20 1HG ARG 3 HG2 ARG 3 82.130 -6.352 -19.860 21 2HG ARG 3 HG1 ARG 3 83.474 -6.757 -18.792 22 1HD ARG 3 HD2 ARG 3 82.101 -6.664 -16.853 23 2HD ARG 3 HD1 ARG 3 80.805 -5.837 -17.716 24 HE ARG 3 HE ARG 3 81.545 -8.684 -18.272 25 1HH1 ARG 3 HH11 ARG 3 79.466 -6.205 -19.127 26 2HH1 ARG 3 HH12 ARG 3 78.006 -7.112 -18.915 27 1HH2 ARG 3 HH21 ARG 3 79.591 -9.827 -17.452 28 2HH2 ARG 3 HH22 ARG 3 78.077 -9.163 -17.967 29 H PHE 4 HN PHE 4 82.796 -1.485 -19.226 30 HA PHE 4 HA PHE 4 81.237 -0.802 -16.926 31 1HB PHE 4 HB2 PHE 4 82.438 1.064 -18.996 32 2HB PHE 4 HB1 PHE 4 81.957 1.499 -17.356 33 HD1 PHE 4 HD1 PHE 4 82.900 -1.262 -16.187 34 HD2 PHE 4 HD2 PHE 4 84.779 1.722 -18.640 35 HE1 PHE 4 HE1 PHE 4 85.122 -1.971 -15.346 36 HE2 PHE 4 HE2 PHE 4 87.002 1.013 -17.798 37 HZ PHE 4 HZ PHE 4 87.173 -0.833 -16.151 38 H HIS 5 HN HIS 5 79.091 -1.570 -17.653 39 HA HIS 5 HA HIS 5 77.775 0.210 -19.646 40 1HB HIS 5 HB2 HIS 5 77.216 -2.534 -18.578 41 2HB HIS 5 HB1 HIS 5 75.863 -1.567 -19.166 42 HD1 HIS 5 HD1 HIS 5 75.664 -3.274 -21.195 43 HD2 HIS 5 HD2 HIS 5 79.203 -1.073 -21.091 44 HE1 HIS 5 HE1 HIS 5 76.733 -3.527 -23.477 45 H ALA 6 HN ALA 6 75.408 0.746 -19.020 46 HA ALA 6 HA ALA 6 75.463 1.839 -16.259 47 1HB ALA 6 HB1 ALA 6 74.082 2.548 -18.803 48 2HB ALA 6 HB2 ALA 6 74.808 3.599 -17.587 49 3HB ALA 6 HB3 ALA 6 73.218 2.890 -17.304 50 H THR 7 HN THR 7 74.797 0.158 -14.924 51 HA THR 7 HA THR 7 72.230 -1.193 -15.637 52 HB THR 7 HB THR 7 72.911 -2.947 -14.054 53 HG1 THR 7 HG1 THR 7 75.408 -1.701 -13.799 54 1HG2 THR 7 HG21 THR 7 75.317 -2.356 -15.770 55 2HG2 THR 7 HG22 THR 7 73.772 -2.809 -16.491 56 3HG2 THR 7 HG23 THR 7 74.592 -3.919 -15.392 57 H SER 8 HN SER 8 72.657 1.516 -14.338 58 HA SER 8 HA SER 8 71.448 0.986 -11.667 59 1HB SER 8 HB2 SER 8 71.791 3.628 -11.616 60 2HB SER 8 HB1 SER 8 73.126 2.529 -11.282 61 HG SER 8 HG SER 8 74.048 3.472 -12.913 62 H ALA 9 HN ALA 9 69.851 0.546 -13.998 63 HA ALA 9 HA ALA 9 68.192 2.880 -14.503 64 1HB ALA 9 HB1 ALA 9 67.285 0.049 -14.971 65 2HB ALA 9 HB2 ALA 9 68.551 0.749 -15.979 66 3HB ALA 9 HB3 ALA 9 66.952 1.491 -15.930 67 H ASP 10 HN ASP 10 67.594 3.519 -12.330 68 HA ASP 10 HA ASP 10 65.313 1.922 -11.289 69 1HB ASP 10 HB2 ASP 10 67.388 1.347 -9.982 70 2HB ASP 10 HB1 ASP 10 67.492 3.041 -9.502 71 H CYS 11 HN CYS 11 64.628 3.998 -12.686 72 HA CYS 11 HA CYS 11 64.470 6.353 -10.858 73 1HB CYS 11 HB2 CYS 11 63.849 6.200 -13.823 74 2HB CYS 11 HB1 CYS 11 63.928 7.663 -12.842 75 H CYS 12 HN CYS 12 62.468 7.061 -10.146 76 HA CYS 12 HA CYS 12 60.189 5.244 -10.640 77 1HB CYS 12 HB2 CYS 12 60.782 7.433 -8.664 78 2HB CYS 12 HB1 CYS 12 59.116 6.918 -8.925 79 H ILE 13 HN ILE 13 58.819 5.702 -12.289 80 HA ILE 13 HA ILE 13 58.719 8.462 -13.360 81 HB ILE 13 HB ILE 13 57.085 6.221 -14.493 82 1HG1 ILE 13 HG12 ILE 13 59.505 6.015 -15.820 83 2HG1 ILE 13 HG11 ILE 13 60.002 6.190 -14.137 84 1HG2 ILE 13 HG21 ILE 13 58.180 8.812 -15.301 85 2HG2 ILE 13 HG22 ILE 13 56.844 7.894 -15.996 86 3HG2 ILE 13 HG23 ILE 13 58.503 7.545 -16.484 87 1HD1 ILE 13 HD11 ILE 13 58.364 4.028 -15.413 88 2HD1 ILE 13 HD12 ILE 13 58.086 4.417 -13.715 89 3HD1 ILE 13 HD13 ILE 13 59.683 3.891 -14.250 90 H SER 14 HN SER 14 56.565 6.007 -11.950 91 HA SER 14 HA SER 14 54.735 8.192 -11.134 92 1HB SER 14 HB2 SER 14 52.841 7.348 -12.196 93 2HB SER 14 HB1 SER 14 54.077 7.013 -13.405 94 HG SER 14 HG SER 14 52.762 5.184 -12.941 95 H TYR 15 HN TYR 15 53.716 7.742 -9.174 96 HA TYR 15 HA TYR 15 54.627 5.267 -7.810 97 1HB TYR 15 HB2 TYR 15 53.039 7.428 -6.458 98 2HB TYR 15 HB1 TYR 15 54.302 6.392 -5.794 99 HD1 TYR 15 HD1 TYR 15 53.982 9.560 -5.841 100 HD2 TYR 15 HD2 TYR 15 56.283 6.728 -8.109 101 HE1 TYR 15 HE1 TYR 15 55.673 11.312 -6.315 102 HE2 TYR 15 HE2 TYR 15 57.973 8.480 -8.582 103 HH TYR 15 HH TYR 15 57.409 11.772 -8.035 104 H THR 16 HN THR 16 52.997 4.097 -6.449 105 HA THR 16 HA THR 16 50.571 3.625 -8.010 106 HB THR 16 HB THR 16 51.797 1.755 -6.949 107 HG1 THR 16 HG1 THR 16 49.311 2.041 -7.086 108 1HG2 THR 16 HG21 THR 16 52.190 3.391 -4.854 109 2HG2 THR 16 HG22 THR 16 52.240 1.635 -4.700 110 3HG2 THR 16 HG23 THR 16 50.778 2.517 -4.258 111 HA PRO 17 HA PRO 17 48.227 6.506 -5.553 112 1HB PRO 17 HB2 PRO 17 45.835 6.062 -6.832 113 2HB PRO 17 HB1 PRO 17 47.128 7.074 -7.500 114 1HG PRO 17 HG2 PRO 17 46.287 4.332 -8.308 115 2HG PRO 17 HG1 PRO 17 47.089 5.587 -9.266 116 1HD PRO 17 HD2 PRO 17 48.341 3.324 -8.104 117 2HD PRO 17 HD1 PRO 17 49.165 4.739 -8.794 118 H ARG 18 HN ARG 18 48.714 4.299 -4.065 119 HA ARG 18 HA ARG 18 46.104 3.759 -2.828 120 1HB ARG 18 HB2 ARG 18 47.696 1.671 -4.283 121 2HB ARG 18 HB1 ARG 18 46.795 1.214 -2.837 122 1HG ARG 18 HG2 ARG 18 44.752 2.264 -3.862 123 2HG ARG 18 HG1 ARG 18 45.678 2.499 -5.344 124 1HD ARG 18 HD2 ARG 18 46.059 0.085 -5.522 125 2HD ARG 18 HD1 ARG 18 45.207 -0.179 -4.001 126 HE ARG 18 HE ARG 18 43.887 -0.153 -6.421 127 1HH1 ARG 18 HH11 ARG 18 42.768 0.047 -3.485 128 2HH1 ARG 18 HH12 ARG 18 41.624 1.328 -3.707 129 1HH2 ARG 18 HH21 ARG 18 42.899 2.292 -6.784 130 2HH2 ARG 18 HH22 ARG 18 41.698 2.599 -5.575 131 H SER 19 HN SER 19 46.491 4.029 -0.689 132 HA SER 19 HA SER 19 49.181 4.026 0.388 133 1HB SER 19 HB2 SER 19 48.000 4.300 2.586 134 2HB SER 19 HB1 SER 19 47.500 5.477 1.375 135 HG SER 19 HG SER 19 46.020 3.686 2.683 136 H ILE 20 HN ILE 20 49.877 1.842 -0.178 137 HA ILE 20 HA ILE 20 48.488 -0.479 0.839 138 HB ILE 20 HB ILE 20 51.416 -0.279 0.091 139 1HG1 ILE 20 HG12 ILE 20 48.964 -0.684 -1.652 140 2HG1 ILE 20 HG11 ILE 20 50.098 0.665 -1.728 141 1HG2 ILE 20 HG21 ILE 20 50.978 -2.672 -0.594 142 2HG2 ILE 20 HG22 ILE 20 49.394 -2.535 0.169 143 3HG2 ILE 20 HG23 ILE 20 50.858 -2.380 1.141 144 1HD1 ILE 20 HD11 ILE 20 50.294 -1.948 -2.962 145 2HD1 ILE 20 HD12 ILE 20 51.685 -1.650 -1.919 146 3HD1 ILE 20 HD13 ILE 20 51.298 -0.521 -3.218 147 HA PRO 21 HA PRO 21 49.996 -0.180 4.994 148 1HB PRO 21 HB2 PRO 21 49.093 -2.640 5.822 149 2HB PRO 21 HB1 PRO 21 48.040 -1.229 5.623 150 1HG PRO 21 HG2 PRO 21 48.294 -3.640 3.888 151 2HG PRO 21 HG1 PRO 21 46.912 -2.552 4.102 152 1HD PRO 21 HD2 PRO 21 48.721 -2.539 1.919 153 2HD PRO 21 HD1 PRO 21 47.531 -1.277 2.302 154 H CYS 22 HN CYS 22 51.529 -1.380 6.430 155 HA CYS 22 HA CYS 22 53.792 -2.404 5.001 156 1HB CYS 22 HB2 CYS 22 53.029 -2.000 7.827 157 2HB CYS 22 HB1 CYS 22 54.185 -3.304 7.554 158 H SER 23 HN SER 23 50.934 -3.913 6.276 159 HA SER 23 HA SER 23 51.826 -6.571 6.637 160 1HB SER 23 HB2 SER 23 49.468 -5.499 7.011 161 2HB SER 23 HB1 SER 23 49.176 -5.976 5.341 162 HG SER 23 HG SER 23 49.467 -8.078 5.891 163 H LEU 24 HN LEU 24 51.165 -4.768 3.692 164 HA LEU 24 HA LEU 24 51.664 -7.231 2.089 165 1HB LEU 24 HB2 LEU 24 50.080 -4.798 1.697 166 2HB LEU 24 HB1 LEU 24 51.093 -5.185 0.305 167 HG LEU 24 HG LEU 24 48.891 -6.294 0.136 168 1HD1 LEU 24 HD11 LEU 24 50.749 -8.542 0.774 169 2HD1 LEU 24 HD12 LEU 24 51.272 -7.377 -0.443 170 3HD1 LEU 24 HD13 LEU 24 49.768 -8.270 -0.666 171 1HD2 LEU 24 HD21 LEU 24 48.546 -8.229 1.810 172 2HD2 LEU 24 HD22 LEU 24 48.235 -6.597 2.400 173 3HD2 LEU 24 HD23 LEU 24 49.744 -7.411 2.813 174 H LEU 25 HN LEU 25 53.731 -5.597 3.556 175 HA LEU 25 HA LEU 25 55.416 -4.943 1.171 176 1HB LEU 25 HB2 LEU 25 55.505 -3.596 3.889 177 2HB LEU 25 HB1 LEU 25 56.504 -3.192 2.492 178 HG LEU 25 HG LEU 25 53.476 -3.056 2.506 179 1HD1 LEU 25 HD11 LEU 25 53.611 -0.999 3.417 180 2HD1 LEU 25 HD12 LEU 25 54.856 -0.520 2.263 181 3HD1 LEU 25 HD13 LEU 25 55.309 -1.325 3.765 182 1HD2 LEU 25 HD21 LEU 25 54.381 -1.419 0.518 183 2HD2 LEU 25 HD22 LEU 25 53.924 -3.104 0.265 184 3HD2 LEU 25 HD23 LEU 25 55.619 -2.676 0.496 185 H GLU 26 HN GLU 26 57.124 -6.308 1.035 186 HA GLU 26 HA GLU 26 57.936 -7.811 3.468 187 1HB GLU 26 HB2 GLU 26 57.421 -8.930 1.199 188 2HB GLU 26 HB1 GLU 26 58.965 -8.264 0.665 189 1HG GLU 26 HG2 GLU 26 59.430 -10.473 1.470 190 2HG GLU 26 HG1 GLU 26 60.010 -9.360 2.710 191 H SER 27 HN SER 27 58.933 -5.203 1.475 192 HA SER 27 HA SER 27 61.148 -4.523 3.128 193 1HB SER 27 HB2 SER 27 62.251 -6.479 2.172 194 2HB SER 27 HB1 SER 27 61.860 -5.940 0.541 195 HG SER 27 HG SER 27 63.445 -4.517 2.425 196 H TYR 28 HN TYR 28 62.657 -2.905 1.748 197 HA TYR 28 HA TYR 28 61.307 -1.608 -0.486 198 1HB TYR 28 HB2 TYR 28 60.727 0.457 0.596 199 2HB TYR 28 HB1 TYR 28 60.018 -0.836 1.564 200 HD1 TYR 28 HD1 TYR 28 62.040 2.070 1.659 201 HD2 TYR 28 HD2 TYR 28 61.564 -1.789 3.485 202 HE1 TYR 28 HE1 TYR 28 63.315 2.849 3.639 203 HE2 TYR 28 HE2 TYR 28 62.840 -1.010 5.464 204 HH TYR 28 HH TYR 28 63.292 1.352 6.545 205 H PHE 29 HN PHE 29 62.596 0.225 -1.302 206 HA PHE 29 HA PHE 29 65.276 0.558 -0.089 207 1HB PHE 29 HB2 PHE 29 66.136 0.283 -2.591 208 2HB PHE 29 HB1 PHE 29 65.971 -1.118 -1.533 209 HD1 PHE 29 HD1 PHE 29 64.790 0.523 -4.542 210 HD2 PHE 29 HD2 PHE 29 63.869 -2.519 -1.653 211 HE1 PHE 29 HE1 PHE 29 63.149 -0.472 -6.113 212 HE2 PHE 29 HE2 PHE 29 62.228 -3.514 -3.224 213 HZ PHE 29 HZ PHE 29 61.868 -2.490 -5.454 214 H GLU 30 HN GLU 30 66.493 2.340 -1.298 215 HA GLU 30 HA GLU 30 64.517 4.418 -2.115 216 1HB GLU 30 HB2 GLU 30 67.417 4.906 -1.430 217 2HB GLU 30 HB1 GLU 30 66.074 6.048 -1.383 218 1HG GLU 30 HG2 GLU 30 66.373 3.632 0.427 219 2HG GLU 30 HG1 GLU 30 66.708 5.300 0.893 220 H THR 31 HN THR 31 64.691 5.423 -4.116 221 HA THR 31 HA THR 31 66.089 4.026 -6.210 222 HB THR 31 HB THR 31 65.333 5.895 -7.648 223 HG1 THR 31 HG1 THR 31 64.968 7.045 -5.133 224 1HG2 THR 31 HG21 THR 31 63.636 4.310 -7.396 225 2HG2 THR 31 HG22 THR 31 62.836 5.788 -6.861 226 3HG2 THR 31 HG23 THR 31 63.451 4.638 -5.674 227 H ASN 32 HN ASN 32 67.791 4.992 -7.593 228 HA ASN 32 HA ASN 32 69.951 6.073 -5.996 229 1HB ASN 32 HB2 ASN 32 69.556 5.311 -8.857 230 2HB ASN 32 HB1 ASN 32 70.891 6.400 -8.477 231 1HD2 ASN 32 HD21 ASN 32 71.413 3.751 -9.396 232 2HD2 ASN 32 HD22 ASN 32 72.093 2.858 -8.123 233 H SER 33 HN SER 33 70.694 8.187 -5.890 234 HA SER 33 HA SER 33 68.878 10.324 -6.376 235 1HB SER 33 HB2 SER 33 70.561 10.764 -4.780 236 2HB SER 33 HB1 SER 33 71.845 10.201 -5.846 237 HG SER 33 HG SER 33 71.748 12.488 -5.733 238 H GLU 34 HN GLU 34 71.151 8.729 -8.465 239 HA GLU 34 HA GLU 34 71.666 10.740 -10.377 240 1HB GLU 34 HB2 GLU 34 71.218 7.770 -10.794 241 2HB GLU 34 HB1 GLU 34 71.901 8.856 -12.004 242 1HG GLU 34 HG2 GLU 34 73.315 9.296 -9.570 243 2HG GLU 34 HG1 GLU 34 73.243 7.553 -9.834 244 H CYS 35 HN CYS 35 68.806 8.728 -9.908 245 HA CYS 35 HA CYS 35 67.498 9.467 -12.366 246 1HB CYS 35 HB2 CYS 35 66.416 8.468 -9.717 247 2HB CYS 35 HB1 CYS 35 65.414 8.708 -11.148 248 H SER 36 HN SER 36 66.276 11.266 -12.838 249 HA SER 36 HA SER 36 66.488 13.592 -11.157 250 1HB SER 36 HB2 SER 36 65.384 14.728 -12.869 251 2HB SER 36 HB1 SER 36 66.070 13.366 -13.750 252 HG SER 36 HG SER 36 63.802 13.735 -14.142 253 H LYS 37 HN LYS 37 64.184 10.995 -11.364 254 HA LYS 37 HA LYS 37 62.383 12.481 -9.493 255 1HB LYS 37 HB2 LYS 37 61.764 10.134 -11.315 256 2HB LYS 37 HB1 LYS 37 60.614 10.906 -10.223 257 1HG LYS 37 HG2 LYS 37 60.778 12.999 -11.425 258 2HG LYS 37 HG1 LYS 37 62.091 12.375 -12.423 259 1HD LYS 37 HD2 LYS 37 59.940 12.307 -13.639 260 2HD LYS 37 HD1 LYS 37 60.575 10.683 -13.376 261 1HE LYS 37 HE2 LYS 37 58.771 10.099 -12.160 262 2HE LYS 37 HE1 LYS 37 58.941 11.521 -11.131 263 1HZ LYS 37 HZ1 LYS 37 57.530 11.317 -13.727 264 2HZ LYS 37 HZ2 LYS 37 57.913 12.806 -13.004 265 3HZ LYS 37 HZ3 LYS 37 56.875 11.716 -12.215 266 HA PRO 38 HA PRO 38 64.266 9.239 -6.909 267 1HB PRO 38 HB2 PRO 38 64.331 10.814 -4.657 268 2HB PRO 38 HB1 PRO 38 65.612 10.800 -5.880 269 1HG PRO 38 HG2 PRO 38 63.520 12.865 -5.377 270 2HG PRO 38 HG1 PRO 38 65.128 13.050 -6.096 271 1HD PRO 38 HD2 PRO 38 62.681 12.953 -7.516 272 2HD PRO 38 HD1 PRO 38 64.304 12.801 -8.222 273 H GLY 39 HN GLY 39 63.377 8.293 -4.824 274 1HA GLY 39 HA2 GLY 39 61.019 9.020 -3.554 275 2HA GLY 39 HA1 GLY 39 60.528 8.069 -4.952 276 H VAL 40 HN VAL 40 59.756 6.740 -2.926 277 HA VAL 40 HA VAL 40 61.967 4.887 -2.133 278 HB VAL 40 HB VAL 40 59.335 5.312 -0.693 279 1HG1 VAL 40 HG11 VAL 40 60.826 4.306 1.182 280 2HG1 VAL 40 HG12 VAL 40 61.880 3.793 -0.136 281 3HG1 VAL 40 HG13 VAL 40 60.214 3.216 -0.063 282 1HG2 VAL 40 HG21 VAL 40 61.966 6.328 0.329 283 2HG2 VAL 40 HG22 VAL 40 60.336 6.906 0.675 284 3HG2 VAL 40 HG23 VAL 40 61.096 7.286 -0.870 285 H ILE 41 HN ILE 41 61.774 2.795 -2.816 286 HA ILE 41 HA ILE 41 59.211 2.031 -4.140 287 HB ILE 41 HB ILE 41 62.013 0.904 -4.429 288 1HG1 ILE 41 HG12 ILE 41 60.234 2.510 -6.293 289 2HG1 ILE 41 HG11 ILE 41 61.708 3.085 -5.512 290 1HG2 ILE 41 HG21 ILE 41 61.023 -0.465 -6.240 291 2HG2 ILE 41 HG22 ILE 41 59.425 0.156 -5.825 292 3HG2 ILE 41 HG23 ILE 41 60.306 -0.851 -4.676 293 1HD1 ILE 41 HD11 ILE 41 63.090 1.823 -6.876 294 2HD1 ILE 41 HD12 ILE 41 61.766 2.142 -7.995 295 3HD1 ILE 41 HD13 ILE 41 61.860 0.592 -7.160 296 H PHE 42 HN PHE 42 57.944 0.611 -3.057 297 HA PHE 42 HA PHE 42 59.164 -0.949 -0.833 298 1HB PHE 42 HB2 PHE 42 56.294 -0.234 -1.489 299 2HB PHE 42 HB1 PHE 42 56.746 -1.331 -0.185 300 HD1 PHE 42 HD1 PHE 42 56.956 2.154 -1.412 301 HD2 PHE 42 HD2 PHE 42 57.768 -0.522 1.848 302 HE1 PHE 42 HE1 PHE 42 57.395 4.093 0.070 303 HE2 PHE 42 HE2 PHE 42 58.207 1.417 3.330 304 HZ PHE 42 HZ PHE 42 58.020 3.725 2.441 305 H LEU 43 HN LEU 43 59.275 -3.162 -0.947 306 HA LEU 43 HA LEU 43 58.197 -4.429 -3.421 307 1HB LEU 43 HB2 LEU 43 60.689 -4.568 -2.768 308 2HB LEU 43 HB1 LEU 43 60.164 -5.672 -1.497 309 HG LEU 43 HG LEU 43 58.981 -6.314 -4.094 310 1HD1 LEU 43 HD11 LEU 43 60.837 -6.663 -5.386 311 2HD1 LEU 43 HD12 LEU 43 61.854 -7.050 -3.998 312 3HD1 LEU 43 HD13 LEU 43 61.505 -5.367 -4.393 313 1HD2 LEU 43 HD21 LEU 43 60.835 -8.122 -2.606 314 2HD2 LEU 43 HD22 LEU 43 59.261 -8.471 -3.322 315 3HD2 LEU 43 HD23 LEU 43 59.360 -7.620 -1.780 316 H THR 44 HN THR 44 56.505 -5.826 -3.230 317 HA THR 44 HA THR 44 55.554 -6.488 -0.504 318 HB THR 44 HB THR 44 53.477 -7.111 -1.566 319 HG1 THR 44 HG1 THR 44 53.465 -7.820 -3.530 320 1HG2 THR 44 HG21 THR 44 54.521 -4.716 -3.090 321 2HG2 THR 44 HG22 THR 44 54.084 -4.653 -1.383 322 3HG2 THR 44 HG23 THR 44 52.859 -5.035 -2.593 323 H LYS 45 HN LYS 45 54.682 -8.798 -0.238 324 HA LYS 45 HA LYS 45 56.836 -10.659 -0.809 325 1HB LYS 45 HB2 LYS 45 55.289 -10.648 1.244 326 2HB LYS 45 HB1 LYS 45 54.084 -11.397 0.196 327 1HG LYS 45 HG2 LYS 45 56.178 -12.982 -0.381 328 2HG LYS 45 HG1 LYS 45 56.628 -12.519 1.261 329 1HD LYS 45 HD2 LYS 45 54.539 -13.334 2.144 330 2HD LYS 45 HD1 LYS 45 53.892 -13.587 0.523 331 1HE LYS 45 HE2 LYS 45 55.997 -15.161 1.982 332 2HE LYS 45 HE1 LYS 45 54.576 -15.745 1.116 333 1HZ LYS 45 HZ1 LYS 45 55.683 -14.820 -0.940 334 2HZ LYS 45 HZ2 LYS 45 56.391 -16.209 -0.265 335 3HZ LYS 45 HZ3 LYS 45 57.097 -14.685 -0.014 336 H LYS 46 HN LYS 46 54.394 -9.509 -2.734 337 HA LYS 46 HA LYS 46 53.876 -12.084 -4.107 338 1HB LYS 46 HB2 LYS 46 52.214 -10.010 -3.637 339 2HB LYS 46 HB1 LYS 46 52.842 -9.519 -5.210 340 1HG LYS 46 HG2 LYS 46 52.324 -11.926 -5.971 341 2HG LYS 46 HG1 LYS 46 51.361 -12.051 -4.498 342 1HD LYS 46 HD2 LYS 46 50.130 -9.974 -5.213 343 2HD LYS 46 HD1 LYS 46 50.993 -10.057 -6.749 344 1HE LYS 46 HE2 LYS 46 50.051 -12.624 -6.504 345 2HE LYS 46 HE1 LYS 46 48.748 -11.693 -5.765 346 1HZ LYS 46 HZ1 LYS 46 49.218 -10.205 -7.894 347 2HZ LYS 46 HZ2 LYS 46 48.120 -11.501 -7.909 348 3HZ LYS 46 HZ3 LYS 46 49.692 -11.709 -8.520 349 H GLY 47 HN GLY 47 56.517 -10.561 -4.076 350 1HA GLY 47 HA2 GLY 47 58.234 -10.108 -5.594 351 2HA GLY 47 HA1 GLY 47 57.333 -11.117 -6.722 352 H ARG 48 HN ARG 48 56.127 -8.149 -5.241 353 HA ARG 48 HA ARG 48 56.298 -6.819 -7.911 354 1HB ARG 48 HB2 ARG 48 53.952 -7.783 -6.914 355 2HB ARG 48 HB1 ARG 48 53.949 -6.156 -6.233 356 1HG ARG 48 HG2 ARG 48 54.819 -5.912 -8.923 357 2HG ARG 48 HG1 ARG 48 53.402 -6.964 -8.938 358 1HD ARG 48 HD2 ARG 48 52.313 -5.213 -7.389 359 2HD ARG 48 HD1 ARG 48 53.628 -4.146 -7.880 360 HE ARG 48 HE ARG 48 51.329 -4.618 -9.436 361 1HH1 ARG 48 HH21 ARG 48 53.105 -6.478 -10.944 362 2HH1 ARG 48 HH22 ARG 48 53.851 -5.425 -12.099 363 1HH2 ARG 48 HH11 ARG 48 53.001 -2.524 -10.400 364 2HH2 ARG 48 HH12 ARG 48 53.792 -3.186 -11.791 365 H ARG 49 HN ARG 49 56.706 -4.584 -7.819 366 HA ARG 49 HA ARG 49 57.007 -3.404 -5.091 367 1HB ARG 49 HB2 ARG 49 59.074 -2.235 -6.018 368 2HB ARG 49 HB1 ARG 49 59.246 -3.968 -5.737 369 1HG ARG 49 HG2 ARG 49 59.739 -4.289 -7.907 370 2HG ARG 49 HG1 ARG 49 58.194 -3.578 -8.374 371 1HD ARG 49 HD2 ARG 49 59.275 -1.300 -8.063 372 2HD ARG 49 HD1 ARG 49 60.817 -2.141 -7.913 373 HE ARG 49 HE ARG 49 60.082 -3.132 -10.257 374 1HH1 ARG 49 HH21 ARG 49 61.663 -0.546 -10.177 375 2HH1 ARG 49 HH22 ARG 49 60.710 0.472 -11.204 376 1HH2 ARG 49 HH11 ARG 49 57.914 -1.576 -11.084 377 2HH2 ARG 49 HH12 ARG 49 58.588 -0.111 -11.717 378 H PHE 50 HN PHE 50 56.959 -1.005 -5.132 379 HA PHE 50 HA PHE 50 55.976 0.240 -7.622 380 1HB PHE 50 HB2 PHE 50 53.920 1.081 -6.589 381 2HB PHE 50 HB1 PHE 50 53.937 -0.681 -6.539 382 HD1 PHE 50 HD1 PHE 50 54.737 2.354 -4.512 383 HD2 PHE 50 HD2 PHE 50 53.781 -1.834 -4.485 384 HE1 PHE 50 HE1 PHE 50 54.521 2.419 -2.042 385 HE2 PHE 50 HE2 PHE 50 53.565 -1.769 -2.015 386 HZ PHE 50 HZ PHE 50 53.935 0.358 -0.794 387 H CYS 51 HN CYS 51 56.078 2.566 -7.527 388 HA CYS 51 HA CYS 51 58.069 3.543 -5.611 389 1HB CYS 51 HB2 CYS 51 56.629 4.821 -7.949 390 2HB CYS 51 HB1 CYS 51 57.805 5.670 -6.953 391 H ALA 52 HN ALA 52 57.683 5.293 -4.140 392 HA ALA 52 HA ALA 52 54.858 6.127 -3.760 393 1HB ALA 52 HB1 ALA 52 56.506 4.518 -1.854 394 2HB ALA 52 HB2 ALA 52 54.769 4.467 -2.153 395 3HB ALA 52 HB3 ALA 52 55.458 5.768 -1.183 396 H ASN 53 HN ASN 53 54.730 7.999 -2.213 397 HA ASN 53 HA ASN 53 57.006 9.801 -2.689 398 1HB ASN 53 HB2 ASN 53 54.528 10.444 -2.904 399 2HB ASN 53 HB1 ASN 53 54.494 10.448 -1.140 400 1HD2 ASN 53 HD21 ASN 53 54.920 12.497 -3.732 401 2HD2 ASN 53 HD22 ASN 53 55.879 13.686 -2.992 402 HA PRO 54 HA PRO 54 58.645 8.933 1.348 403 1HB PRO 54 HB2 PRO 54 60.643 10.823 1.254 404 2HB PRO 54 HB1 PRO 54 60.739 9.252 0.439 405 1HG PRO 54 HG2 PRO 54 60.246 11.951 -0.736 406 2HG PRO 54 HG1 PRO 54 60.977 10.519 -1.481 407 1HD PRO 54 HD2 PRO 54 58.330 11.411 -1.887 408 2HD PRO 54 HD1 PRO 54 58.960 9.805 -2.312 409 H SER 55 HN SER 55 56.919 11.625 0.385 410 HA SER 55 HA SER 55 57.373 13.174 2.865 411 1HB SER 55 HB2 SER 55 55.701 13.648 0.390 412 2HB SER 55 HB1 SER 55 55.601 14.687 1.809 413 HG SER 55 HG SER 55 58.054 14.657 1.518 414 H ASP 56 HN ASP 56 55.444 10.606 1.819 415 HA ASP 56 HA ASP 56 53.024 11.294 3.292 416 1HB ASP 56 HB2 ASP 56 52.917 9.740 1.400 417 2HB ASP 56 HB1 ASP 56 54.022 8.638 2.220 418 H LYS 57 HN LYS 57 52.680 10.996 5.448 419 HA LYS 57 HA LYS 57 54.791 10.256 7.217 420 1HB LYS 57 HB2 LYS 57 51.853 10.060 7.900 421 2HB LYS 57 HB1 LYS 57 53.196 10.463 8.970 422 1HG LYS 57 HG2 LYS 57 53.576 12.490 7.406 423 2HG LYS 57 HG1 LYS 57 51.950 12.157 6.808 424 1HD LYS 57 HD2 LYS 57 51.689 13.752 8.573 425 2HD LYS 57 HD1 LYS 57 51.185 12.199 9.241 426 1HE LYS 57 HE2 LYS 57 52.684 12.526 10.892 427 2HE LYS 57 HE1 LYS 57 53.952 12.303 9.686 428 1HZ LYS 57 HZ1 LYS 57 54.516 14.398 10.071 429 2HZ LYS 57 HZ2 LYS 57 53.137 14.678 11.023 430 3HZ LYS 57 HZ3 LYS 57 53.064 14.877 9.337 431 H GLN 58 HN GLN 58 52.003 8.405 5.989 432 HA GLN 58 HA GLN 58 52.563 6.030 7.508 433 1HB GLN 58 HB2 GLN 58 50.658 6.868 5.543 434 2HB GLN 58 HB1 GLN 58 51.346 5.330 5.022 435 1HG GLN 58 HG2 GLN 58 49.377 4.986 6.482 436 2HG GLN 58 HG1 GLN 58 50.846 4.345 7.220 437 1HE2 GLN 58 HE21 GLN 58 51.471 5.208 9.240 438 2HE2 GLN 58 HE22 GLN 58 50.692 6.514 9.994 439 H VAL 59 HN VAL 59 53.921 7.364 4.592 440 HA VAL 59 HA VAL 59 55.122 4.839 3.722 441 HB VAL 59 HB VAL 59 55.516 7.718 2.866 442 1HG1 VAL 59 HG11 VAL 59 57.425 7.104 1.847 443 2HG1 VAL 59 HG12 VAL 59 56.541 5.863 0.958 444 3HG1 VAL 59 HG13 VAL 59 57.270 5.481 2.517 445 1HG2 VAL 59 HG21 VAL 59 53.392 6.282 2.333 446 2HG2 VAL 59 HG22 VAL 59 54.458 5.435 1.211 447 3HG2 VAL 59 HG23 VAL 59 54.172 7.165 1.021 448 H GLN 60 HN GLN 60 56.194 7.771 5.423 449 HA GLN 60 HA GLN 60 58.940 6.803 5.663 450 1HB GLN 60 HB2 GLN 60 59.307 8.787 7.019 451 2HB GLN 60 HB1 GLN 60 58.335 9.238 5.617 452 1HG GLN 60 HG2 GLN 60 56.279 8.983 7.022 453 2HG GLN 60 HG1 GLN 60 57.316 8.690 8.419 454 1HE2 GLN 60 HE21 GLN 60 59.374 10.660 7.390 455 2HE2 GLN 60 HE22 GLN 60 58.712 12.191 7.705 456 H VAL 61 HN VAL 61 56.003 6.686 7.583 457 HA VAL 61 HA VAL 61 57.319 5.851 10.033 458 HB VAL 61 HB VAL 61 54.447 5.686 9.085 459 1HG1 VAL 61 HG11 VAL 61 53.994 4.301 10.798 460 2HG1 VAL 61 HG12 VAL 61 54.718 5.446 11.927 461 3HG1 VAL 61 HG13 VAL 61 55.716 4.207 11.166 462 1HG2 VAL 61 HG21 VAL 61 54.116 7.499 10.697 463 2HG2 VAL 61 HG22 VAL 61 55.396 7.944 9.568 464 3HG2 VAL 61 HG23 VAL 61 55.805 7.396 11.194 465 H CYS 62 HN CYS 62 55.723 4.175 7.336 466 HA CYS 62 HA CYS 62 55.987 1.540 8.488 467 1HB CYS 62 HB2 CYS 62 54.925 2.697 6.086 468 2HB CYS 62 HB1 CYS 62 55.997 1.368 5.645 469 H MET 63 HN MET 63 58.006 3.507 6.337 470 HA MET 63 HA MET 63 59.894 1.533 5.589 471 1HB MET 63 HB2 MET 63 60.196 4.506 6.073 472 2HB MET 63 HB1 MET 63 61.498 3.504 5.429 473 1HG MET 63 HG2 MET 63 60.359 3.069 3.438 474 2HG MET 63 HG1 MET 63 58.781 3.401 4.152 475 1HE MET 63 HE1 MET 63 62.155 5.573 4.367 476 2HE MET 63 HE2 MET 63 61.988 6.377 2.808 477 3HE MET 63 HE3 MET 63 62.074 4.619 2.880 478 H ARG 64 HN ARG 64 59.312 3.021 8.654 479 HA ARG 64 HA ARG 64 61.976 2.392 9.723 480 1HB ARG 64 HB2 ARG 64 59.767 4.025 10.507 481 2HB ARG 64 HB1 ARG 64 60.069 2.865 11.802 482 1HG ARG 64 HG2 ARG 64 61.542 4.597 12.352 483 2HG ARG 64 HG1 ARG 64 62.582 3.509 11.433 484 1HD ARG 64 HD2 ARG 64 62.087 4.846 9.378 485 2HD ARG 64 HD1 ARG 64 61.177 5.979 10.377 486 HE ARG 64 HE ARG 64 63.287 6.572 11.499 487 1HH1 ARG 64 HH11 ARG 64 63.586 6.715 8.387 488 2HH1 ARG 64 HH12 ARG 64 65.197 6.099 8.221 489 1HH2 ARG 64 HH21 ARG 64 65.328 4.830 11.446 490 2HH2 ARG 64 HH22 ARG 64 66.183 5.032 9.953 491 H MET 65 HN MET 65 58.890 0.838 9.417 492 HA MET 65 HA MET 65 59.492 -1.146 11.515 493 1HB MET 65 HB2 MET 65 57.143 -0.223 10.865 494 2HB MET 65 HB1 MET 65 57.244 -1.362 9.521 495 1HG MET 65 HG2 MET 65 56.155 -2.548 11.282 496 2HG MET 65 HG1 MET 65 57.813 -3.146 11.262 497 1HE MET 65 HE1 MET 65 55.806 -3.321 14.054 498 2HE MET 65 HE2 MET 65 55.040 -2.145 12.988 499 3HE MET 65 HE3 MET 65 55.493 -1.676 14.625 500 H LEU 66 HN LEU 66 59.402 -0.926 7.979 501 HA LEU 66 HA LEU 66 59.698 -3.634 7.299 502 1HB LEU 66 HB2 LEU 66 60.884 -1.146 6.048 503 2HB LEU 66 HB1 LEU 66 61.045 -2.746 5.323 504 HG LEU 66 HG LEU 66 58.329 -1.750 6.136 505 1HD1 LEU 66 HD11 LEU 66 59.745 -0.120 4.587 506 2HD1 LEU 66 HD12 LEU 66 58.050 -0.453 4.234 507 3HD1 LEU 66 HD13 LEU 66 59.318 -1.297 3.346 508 1HD2 LEU 66 HD21 LEU 66 59.531 -3.863 4.423 509 2HD2 LEU 66 HD22 LEU 66 58.050 -3.120 3.818 510 3HD2 LEU 66 HD23 LEU 66 58.061 -3.906 5.397 511 H LYS 67 HN LYS 67 62.046 -1.408 8.670 512 HA LYS 67 HA LYS 67 64.433 -2.840 8.137 513 1HB LYS 67 HB2 LYS 67 63.538 -0.851 10.145 514 2HB LYS 67 HB1 LYS 67 64.924 -1.836 10.616 515 1HG LYS 67 HG2 LYS 67 65.574 -1.208 8.033 516 2HG LYS 67 HG1 LYS 67 64.721 0.251 8.538 517 1HD LYS 67 HD2 LYS 67 67.068 -1.038 9.963 518 2HD LYS 67 HD1 LYS 67 67.095 0.481 9.065 519 1HE LYS 67 HE2 LYS 67 65.253 1.273 10.673 520 2HE LYS 67 HE1 LYS 67 65.677 -0.123 11.663 521 1HZ LYS 67 HZ1 LYS 67 67.608 1.943 10.762 522 2HZ LYS 67 HZ2 LYS 67 67.915 0.662 11.835 523 3HZ LYS 67 HZ3 LYS 67 66.871 1.923 12.290 524 H LEU 68 HN LEU 68 65.667 -3.826 10.233 525 HA LEU 68 HA LEU 68 64.204 -6.266 10.855 526 1HB LEU 68 HB2 LEU 68 66.940 -5.188 11.422 527 2HB LEU 68 HB1 LEU 68 66.339 -6.515 12.418 528 HG LEU 68 HG LEU 68 65.647 -7.308 9.859 529 1HD1 LEU 68 HD11 LEU 68 68.514 -6.466 9.623 530 2HD1 LEU 68 HD12 LEU 68 67.254 -5.287 9.259 531 3HD1 LEU 68 HD13 LEU 68 67.338 -6.796 8.351 532 1HD2 LEU 68 HD21 LEU 68 67.801 -7.951 11.823 533 2HD2 LEU 68 HD22 LEU 68 67.956 -8.637 10.206 534 3HD2 LEU 68 HD23 LEU 68 66.526 -8.984 11.178 535 H ASP 69 HN ASP 69 62.601 -6.176 12.363 536 HA ASP 69 HA ASP 69 62.705 -4.229 14.555 537 1HB ASP 69 HB2 ASP 69 60.700 -5.939 13.312 538 2HB ASP 69 HB1 ASP 69 60.622 -6.021 15.073 539 H THR 70 HN THR 70 64.865 -5.407 15.190 540 HA THR 70 HA THR 70 64.160 -7.304 17.368 541 HB THR 70 HB THR 70 66.345 -8.553 16.714 542 HG1 THR 70 HG1 THR 70 67.176 -8.063 14.853 543 1HG2 THR 70 HG21 THR 70 64.031 -9.465 16.526 544 2HG2 THR 70 HG22 THR 70 65.096 -10.046 15.247 545 3HG2 THR 70 HG23 THR 70 63.922 -8.775 14.907 546 H ARG 71 HN ARG 71 66.034 -7.503 18.938 547 HA ARG 71 HA ARG 71 68.171 -5.546 18.822 548 1HB ARG 71 HB2 ARG 71 67.414 -4.139 20.695 549 2HB ARG 71 HB1 ARG 71 66.269 -4.050 19.355 550 1HG ARG 71 HG2 ARG 71 65.100 -6.053 20.602 551 2HG ARG 71 HG1 ARG 71 65.979 -5.437 22.001 552 1HD ARG 71 HD2 ARG 71 63.866 -4.066 20.352 553 2HD ARG 71 HD1 ARG 71 63.949 -4.258 22.103 554 HE ARG 71 HE ARG 71 66.168 -2.720 21.532 555 1HH1 ARG 71 HH11 ARG 71 64.156 -2.033 19.204 556 2HH1 ARG 71 HH12 ARG 71 63.519 -0.544 19.817 557 1HH2 ARG 71 HH21 ARG 71 64.770 -1.016 23.016 558 2HH2 ARG 71 HH22 ARG 71 63.867 0.032 21.974 559 H ILE 72 HN ILE 72 69.511 -5.645 20.813 560 HA ILE 72 HA ILE 72 68.921 -8.010 22.531 561 HB ILE 72 HB ILE 72 71.689 -7.456 21.449 562 1HG1 ILE 72 HG12 ILE 72 69.682 -9.443 20.340 563 2HG1 ILE 72 HG11 ILE 72 70.040 -7.889 19.585 564 1HG2 ILE 72 HG21 ILE 72 70.550 -9.242 23.368 565 2HG2 ILE 72 HG22 ILE 72 72.228 -9.145 22.834 566 3HG2 ILE 72 HG23 ILE 72 71.094 -10.200 21.991 567 1HD1 ILE 72 HD11 ILE 72 71.555 -9.213 18.451 568 2HD1 ILE 72 HD12 ILE 72 71.748 -10.331 19.801 569 3HD1 ILE 72 HD13 ILE 72 72.549 -8.760 19.836 570 H LYS 73 HN LYS 73 68.320 -5.878 23.771 571 HA LYS 73 HA LYS 73 70.383 -4.160 24.742 572 1HB LYS 73 HB2 LYS 73 68.748 -3.601 26.527 573 2HB LYS 73 HB1 LYS 73 68.010 -3.578 24.927 574 1HG LYS 73 HG2 LYS 73 67.195 -5.900 25.302 575 2HG LYS 73 HG1 LYS 73 67.860 -5.845 26.935 576 1HD LYS 73 HD2 LYS 73 66.394 -3.527 26.862 577 2HD LYS 73 HD1 LYS 73 65.413 -4.601 25.863 578 1HE LYS 73 HE2 LYS 73 66.333 -5.072 28.709 579 2HE LYS 73 HE1 LYS 73 64.675 -4.892 28.135 580 1HZ LYS 73 HZ1 LYS 73 66.287 -7.220 28.231 581 2HZ LYS 73 HZ2 LYS 73 65.785 -6.923 26.635 582 3HZ LYS 73 HZ3 LYS 73 64.634 -7.078 27.876 583 H THR 74 HN THR 74 70.508 -4.166 27.406 584 HA THR 74 HA THR 74 70.635 -6.549 28.862 585 HB THR 74 HB THR 74 72.163 -7.595 27.413 586 HG1 THR 74 HG1 THR 74 74.217 -7.374 28.520 587 1HG2 THR 74 HG21 THR 74 74.310 -5.862 26.982 588 2HG2 THR 74 HG22 THR 74 72.883 -4.842 26.803 589 3HG2 THR 74 HG23 THR 74 73.062 -6.289 25.812 590 H ARG 75 HN ARG 75 71.876 -6.282 30.877 591 HA ARG 75 HA ARG 75 72.676 -3.433 31.327 592 1HB ARG 75 HB2 ARG 75 71.080 -5.349 33.005 593 2HB ARG 75 HB1 ARG 75 72.022 -4.081 33.791 594 1HG ARG 75 HG2 ARG 75 70.094 -3.510 31.531 595 2HG ARG 75 HG1 ARG 75 69.609 -3.471 33.227 596 1HD ARG 75 HD2 ARG 75 71.967 -1.889 32.190 597 2HD ARG 75 HD1 ARG 75 70.330 -1.234 32.212 598 HE ARG 75 HE ARG 75 70.766 -2.179 34.804 599 1HH1 ARG 75 HH11 ARG 75 73.607 -1.284 33.979 600 2HH1 ARG 75 HH12 ARG 75 73.623 0.327 34.614 601 1HH2 ARG 75 HH21 ARG 75 70.186 0.475 35.045 602 2HH2 ARG 75 HH22 ARG 75 71.686 1.323 35.218 603 H LYS 76 HN LYS 76 73.157 -6.756 32.579 604 HA LYS 76 HA LYS 76 76.042 -6.437 32.533 605 1HB LYS 76 HB2 LYS 76 75.109 -5.185 34.654 606 2HB LYS 76 HB1 LYS 76 74.939 -6.818 35.301 607 1HG LYS 76 HG2 LYS 76 77.386 -7.165 34.537 608 2HG LYS 76 HG1 LYS 76 77.454 -5.407 34.415 609 1HD LYS 76 HD2 LYS 76 77.532 -5.149 36.661 610 2HD LYS 76 HD1 LYS 76 76.240 -6.322 36.918 611 1HE LYS 76 HE2 LYS 76 78.110 -8.063 36.240 612 2HE LYS 76 HE1 LYS 76 79.199 -6.771 36.747 613 1HZ LYS 76 HZ1 LYS 76 77.013 -7.231 38.561 614 2HZ LYS 76 HZ2 LYS 76 78.674 -7.065 38.879 615 3HZ LYS 76 HZ3 LYS 76 78.044 -8.568 38.397 616 H ASN 77 HN ASN 77 74.453 -8.352 31.356 617 HA ASN 77 HA ASN 77 74.193 -10.704 33.059 618 1HB ASN 77 HB2 ASN 77 73.014 -9.992 30.734 619 2HB ASN 77 HB1 ASN 77 74.305 -11.016 30.103 620 1HD2 ASN 77 HD21 ASN 77 74.100 -13.283 30.382 621 2HD2 ASN 77 HD22 ASN 77 72.812 -14.014 31.211 Start of MODEL 10 1 1H MET 1 HT1 MET 1 52.626 -13.145 19.586 2 2H MET 1 HT2 MET 1 53.815 -12.276 20.434 3 3H MET 1 HT3 MET 1 54.219 -13.726 19.646 4 HA MET 1 HA MET 1 53.489 -11.133 18.410 5 1HB MET 1 HB2 MET 1 55.926 -12.909 18.090 6 2HB MET 1 HB1 MET 1 55.702 -11.293 17.419 7 1HG MET 1 HG2 MET 1 55.662 -11.897 20.388 8 2HG MET 1 HG1 MET 1 57.096 -11.347 19.521 9 1HE MET 1 HE1 MET 1 53.559 -9.436 21.149 10 2HE MET 1 HE2 MET 1 55.077 -9.223 22.018 11 3HE MET 1 HE3 MET 1 54.562 -10.839 21.544 12 H ASP 2 HN ASP 2 54.730 -11.975 15.935 13 HA ASP 2 HA ASP 2 52.522 -13.687 14.919 14 1HB ASP 2 HB2 ASP 2 52.886 -11.540 13.773 15 2HB ASP 2 HB1 ASP 2 54.560 -11.990 13.444 16 H ARG 3 HN ARG 3 52.971 -15.577 13.691 17 HA ARG 3 HA ARG 3 55.247 -17.102 14.513 18 1HB ARG 3 HB2 ARG 3 53.194 -17.442 12.328 19 2HB ARG 3 HB1 ARG 3 54.527 -18.582 12.510 20 1HG ARG 3 HG2 ARG 3 52.896 -17.854 14.920 21 2HG ARG 3 HG1 ARG 3 52.245 -19.015 13.762 22 1HD ARG 3 HD2 ARG 3 54.440 -20.275 13.957 23 2HD ARG 3 HD1 ARG 3 54.839 -19.216 15.309 24 HE ARG 3 HE ARG 3 52.653 -21.233 15.290 25 1HH1 ARG 3 HH21 ARG 3 51.850 -18.899 16.926 26 2HH1 ARG 3 HH22 ARG 3 52.505 -19.280 18.484 27 1HH2 ARG 3 HH11 ARG 3 54.667 -21.706 17.274 28 2HH2 ARG 3 HH12 ARG 3 54.100 -20.870 18.681 29 H PHE 4 HN PHE 4 56.420 -18.244 12.344 30 HA PHE 4 HA PHE 4 57.593 -15.934 10.847 31 1HB PHE 4 HB2 PHE 4 58.991 -17.177 12.729 32 2HB PHE 4 HB1 PHE 4 59.236 -18.365 11.448 33 HD1 PHE 4 HD1 PHE 4 61.237 -18.083 10.300 34 HD2 PHE 4 HD2 PHE 4 59.084 -14.614 11.632 35 HE1 PHE 4 HE1 PHE 4 62.954 -16.622 9.268 36 HE2 PHE 4 HE2 PHE 4 60.800 -13.152 10.600 37 HZ PHE 4 HZ PHE 4 62.735 -14.156 9.418 38 H HIS 5 HN HIS 5 55.643 -16.933 9.479 39 HA HIS 5 HA HIS 5 56.404 -19.350 7.988 40 1HB HIS 5 HB2 HIS 5 53.996 -17.802 8.402 41 2HB HIS 5 HB1 HIS 5 54.271 -18.044 6.676 42 HD1 HIS 5 HD1 HIS 5 52.418 -19.590 9.139 43 HD2 HIS 5 HD2 HIS 5 55.314 -21.079 6.537 44 HE1 HIS 5 HE1 HIS 5 52.043 -22.091 9.005 45 H ALA 6 HN ALA 6 55.820 -18.857 5.402 46 HA ALA 6 HA ALA 6 57.926 -16.901 4.638 47 1HB ALA 6 HB1 ALA 6 57.264 -18.155 2.316 48 2HB ALA 6 HB2 ALA 6 56.853 -19.410 3.484 49 3HB ALA 6 HB3 ALA 6 58.490 -18.757 3.432 50 H THR 7 HN THR 7 57.423 -15.764 2.451 51 HA THR 7 HA THR 7 54.657 -14.659 2.647 52 HB THR 7 HB THR 7 55.542 -12.667 1.551 53 HG1 THR 7 HG1 THR 7 57.906 -12.703 1.214 54 1HG2 THR 7 HG21 THR 7 57.392 -13.643 3.745 55 2HG2 THR 7 HG22 THR 7 55.840 -12.842 3.990 56 3HG2 THR 7 HG23 THR 7 57.181 -11.962 3.255 57 H SER 8 HN SER 8 54.700 -13.455 0.040 58 HA SER 8 HA SER 8 54.298 -15.912 -1.596 59 1HB SER 8 HB2 SER 8 53.322 -13.630 -2.961 60 2HB SER 8 HB1 SER 8 52.379 -14.897 -2.182 61 HG SER 8 HG SER 8 53.085 -12.358 -1.287 62 H ALA 9 HN ALA 9 56.036 -12.858 -1.489 63 HA ALA 9 HA ALA 9 57.184 -13.326 -4.175 64 1HB ALA 9 HB1 ALA 9 58.279 -11.156 -3.852 65 2HB ALA 9 HB2 ALA 9 57.739 -11.115 -2.173 66 3HB ALA 9 HB3 ALA 9 56.560 -11.021 -3.482 67 H ASP 10 HN ASP 10 59.759 -12.507 -3.933 68 HA ASP 10 HA ASP 10 60.951 -14.349 -1.905 69 1HB ASP 10 HB2 ASP 10 60.906 -15.064 -4.450 70 2HB ASP 10 HB1 ASP 10 62.254 -13.933 -4.576 71 H CYS 11 HN CYS 11 63.604 -13.466 -3.261 72 HA CYS 11 HA CYS 11 63.783 -10.881 -1.779 73 1HB CYS 11 HB2 CYS 11 65.975 -12.841 -2.534 74 2HB CYS 11 HB1 CYS 11 66.198 -11.359 -1.604 75 H CYS 12 HN CYS 12 65.928 -9.681 -2.816 76 HA CYS 12 HA CYS 12 65.092 -9.128 -5.603 77 1HB CYS 12 HB2 CYS 12 66.719 -7.691 -3.535 78 2HB CYS 12 HB1 CYS 12 66.982 -7.306 -5.236 79 H ILE 13 HN ILE 13 66.220 -9.930 -7.307 80 HA ILE 13 HA ILE 13 68.820 -11.263 -6.753 81 HB ILE 13 HB ILE 13 67.042 -12.565 -7.908 82 1HG1 ILE 13 HG12 ILE 13 69.370 -11.916 -9.741 83 2HG1 ILE 13 HG11 ILE 13 69.491 -12.963 -8.327 84 1HG2 ILE 13 HG21 ILE 13 66.964 -11.706 -10.479 85 2HG2 ILE 13 HG22 ILE 13 67.112 -10.159 -9.644 86 3HG2 ILE 13 HG23 ILE 13 65.769 -11.239 -9.269 87 1HD1 ILE 13 HD11 ILE 13 69.065 -14.540 -9.976 88 2HD1 ILE 13 HD12 ILE 13 68.064 -13.435 -10.919 89 3HD1 ILE 13 HD13 ILE 13 67.421 -14.175 -9.453 90 H SER 14 HN SER 14 67.483 -8.459 -8.244 91 HA SER 14 HA SER 14 70.196 -7.671 -9.127 92 1HB SER 14 HB2 SER 14 68.115 -6.977 -11.092 93 2HB SER 14 HB1 SER 14 69.755 -7.564 -11.353 94 HG SER 14 HG SER 14 67.488 -8.915 -11.504 95 H TYR 15 HN TYR 15 70.341 -5.321 -9.475 96 HA TYR 15 HA TYR 15 68.166 -3.863 -8.027 97 1HB TYR 15 HB2 TYR 15 71.119 -3.199 -8.247 98 2HB TYR 15 HB1 TYR 15 69.918 -2.224 -7.399 99 HD1 TYR 15 HD1 TYR 15 72.182 -4.997 -7.156 100 HD2 TYR 15 HD2 TYR 15 68.562 -3.362 -5.521 101 HE1 TYR 15 HE1 TYR 15 72.453 -6.413 -5.139 102 HE2 TYR 15 HE2 TYR 15 68.833 -4.779 -3.504 103 HH TYR 15 HH TYR 15 69.998 -6.429 -2.562 104 H THR 16 HN THR 16 67.718 -1.669 -8.799 105 HA THR 16 HA THR 16 67.698 -1.525 -11.703 106 HB THR 16 HB THR 16 65.861 -0.653 -10.213 107 HG1 THR 16 HG1 THR 16 67.113 1.230 -11.924 108 1HG2 THR 16 HG21 THR 16 66.149 1.258 -8.900 109 2HG2 THR 16 HG22 THR 16 67.586 1.770 -9.787 110 3HG2 THR 16 HG23 THR 16 67.680 0.415 -8.661 111 HA PRO 17 HA PRO 17 71.667 0.575 -11.689 112 1HB PRO 17 HB2 PRO 17 72.006 0.426 -14.413 113 2HB PRO 17 HB1 PRO 17 72.364 -0.912 -13.307 114 1HG PRO 17 HG2 PRO 17 70.061 -0.584 -15.174 115 2HG PRO 17 HG1 PRO 17 70.796 -2.070 -14.548 116 1HD PRO 17 HD2 PRO 17 68.390 -0.893 -13.629 117 2HD PRO 17 HD1 PRO 17 69.302 -2.180 -12.813 118 H ARG 18 HN ARG 18 69.753 2.366 -11.221 119 HA ARG 18 HA ARG 18 70.325 4.525 -13.135 120 1HB ARG 18 HB2 ARG 18 67.453 3.753 -12.543 121 2HB ARG 18 HB1 ARG 18 68.003 5.047 -13.609 122 1HG ARG 18 HG2 ARG 18 69.145 3.332 -15.026 123 2HG ARG 18 HG1 ARG 18 68.447 2.074 -14.006 124 1HD ARG 18 HD2 ARG 18 67.002 2.327 -15.921 125 2HD ARG 18 HD1 ARG 18 66.169 3.032 -14.535 126 HE ARG 18 HE ARG 18 67.179 5.266 -15.450 127 1HH1 ARG 18 HH11 ARG 18 64.586 4.447 -16.692 128 2HH1 ARG 18 HH12 ARG 18 64.953 4.512 -18.384 129 1HH2 ARG 18 HH21 ARG 18 68.387 4.524 -17.910 130 2HH2 ARG 18 HH22 ARG 18 67.104 4.555 -19.073 131 H SER 19 HN SER 19 70.180 6.552 -12.137 132 HA SER 19 HA SER 19 69.825 6.484 -9.205 133 1HB SER 19 HB2 SER 19 70.626 8.812 -10.974 134 2HB SER 19 HB1 SER 19 70.805 8.703 -9.225 135 HG SER 19 HG SER 19 72.754 8.166 -10.180 136 H ILE 20 HN ILE 20 67.536 6.296 -9.015 137 HA ILE 20 HA ILE 20 65.835 8.293 -10.346 138 HB ILE 20 HB ILE 20 65.185 6.096 -8.359 139 1HG1 ILE 20 HG12 ILE 20 64.204 6.028 -11.153 140 2HG1 ILE 20 HG11 ILE 20 65.946 5.828 -10.966 141 1HG2 ILE 20 HG21 ILE 20 63.667 8.266 -8.647 142 2HG2 ILE 20 HG22 ILE 20 62.947 6.661 -8.519 143 3HG2 ILE 20 HG23 ILE 20 63.143 7.416 -10.101 144 1HD1 ILE 20 HD11 ILE 20 65.723 3.769 -10.048 145 2HD1 ILE 20 HD12 ILE 20 64.079 3.812 -10.685 146 3HD1 ILE 20 HD13 ILE 20 64.390 4.284 -9.014 147 HA PRO 21 HA PRO 21 66.078 11.060 -6.898 148 1HB PRO 21 HB2 PRO 21 64.098 12.772 -7.738 149 2HB PRO 21 HB1 PRO 21 65.733 12.758 -8.422 150 1HG PRO 21 HG2 PRO 21 63.197 11.733 -9.605 151 2HG PRO 21 HG1 PRO 21 64.665 12.302 -10.417 152 1HD PRO 21 HD2 PRO 21 63.916 9.594 -10.033 153 2HD PRO 21 HD1 PRO 21 65.510 10.177 -10.560 154 H CYS 22 HN CYS 22 64.916 11.391 -4.951 155 HA CYS 22 HA CYS 22 62.916 9.525 -4.217 156 1HB CYS 22 HB2 CYS 22 64.283 11.743 -2.991 157 2HB CYS 22 HB1 CYS 22 62.565 11.832 -2.602 158 H SER 23 HN SER 23 62.652 12.727 -5.657 159 HA SER 23 HA SER 23 59.952 13.321 -5.166 160 1HB SER 23 HB2 SER 23 61.957 14.087 -7.136 161 2HB SER 23 HB1 SER 23 60.345 14.029 -7.842 162 HG SER 23 HG SER 23 60.624 16.041 -6.932 163 H LEU 24 HN LEU 24 61.346 10.893 -7.269 164 HA LEU 24 HA LEU 24 58.679 10.307 -8.440 165 1HB LEU 24 HB2 LEU 24 61.481 9.800 -9.208 166 2HB LEU 24 HB1 LEU 24 60.395 8.439 -9.490 167 HG LEU 24 HG LEU 24 58.929 10.642 -10.355 168 1HD1 LEU 24 HD11 LEU 24 61.674 10.878 -11.580 169 2HD1 LEU 24 HD12 LEU 24 61.233 11.828 -10.161 170 3HD1 LEU 24 HD13 LEU 24 60.329 12.015 -11.664 171 1HD2 LEU 24 HD21 LEU 24 59.685 9.710 -12.669 172 2HD2 LEU 24 HD22 LEU 24 58.822 8.628 -11.575 173 3HD2 LEU 24 HD23 LEU 24 60.576 8.518 -11.722 174 H LEU 25 HN LEU 25 59.760 9.706 -5.581 175 HA LEU 25 HA LEU 25 58.986 6.816 -5.619 176 1HB LEU 25 HB2 LEU 25 60.927 8.147 -3.706 177 2HB LEU 25 HB1 LEU 25 60.504 6.435 -3.746 178 HG LEU 25 HG LEU 25 61.770 7.922 -6.063 179 1HD1 LEU 25 HD11 LEU 25 63.461 5.919 -4.900 180 2HD1 LEU 25 HD12 LEU 25 62.945 7.026 -3.627 181 3HD1 LEU 25 HD13 LEU 25 63.764 7.649 -5.059 182 1HD2 LEU 25 HD21 LEU 25 60.984 6.080 -7.142 183 2HD2 LEU 25 HD22 LEU 25 60.664 5.225 -5.632 184 3HD2 LEU 25 HD23 LEU 25 62.289 5.227 -6.318 185 H GLU 26 HN GLU 26 57.547 6.167 -3.984 186 HA GLU 26 HA GLU 26 56.378 8.408 -2.384 187 1HB GLU 26 HB2 GLU 26 54.285 7.097 -2.381 188 2HB GLU 26 HB1 GLU 26 54.818 7.427 -4.030 189 1HG GLU 26 HG2 GLU 26 54.602 5.194 -4.356 190 2HG GLU 26 HG1 GLU 26 56.114 5.061 -3.457 191 H SER 27 HN SER 27 57.586 5.101 -2.302 192 HA SER 27 HA SER 27 58.133 5.310 0.541 193 1HB SER 27 HB2 SER 27 55.558 4.554 0.010 194 2HB SER 27 HB1 SER 27 56.366 2.990 0.065 195 HG SER 27 HG SER 27 56.503 3.213 2.142 196 H TYR 28 HN TYR 28 58.775 2.906 1.312 197 HA TYR 28 HA TYR 28 59.748 1.136 -0.769 198 1HB TYR 28 HB2 TYR 28 62.107 1.523 -0.564 199 2HB TYR 28 HB1 TYR 28 61.370 3.099 -0.852 200 HD1 TYR 28 HD1 TYR 28 63.122 0.976 1.559 201 HD2 TYR 28 HD2 TYR 28 61.076 4.711 1.006 202 HE1 TYR 28 HE1 TYR 28 64.075 1.814 3.690 203 HE2 TYR 28 HE2 TYR 28 62.029 5.550 3.136 204 HH TYR 28 HH TYR 28 63.250 5.059 4.921 205 H PHE 29 HN PHE 29 61.155 -0.628 0.264 206 HA PHE 29 HA PHE 29 60.956 -0.836 3.192 207 1HB PHE 29 HB2 PHE 29 59.815 -3.175 2.799 208 2HB PHE 29 HB1 PHE 29 58.822 -1.719 2.853 209 HD1 PHE 29 HD1 PHE 29 59.851 -4.535 0.870 210 HD2 PHE 29 HD2 PHE 29 58.285 -0.542 0.632 211 HE1 PHE 29 HE1 PHE 29 59.069 -4.980 -1.441 212 HE2 PHE 29 HE2 PHE 29 57.503 -0.987 -1.679 213 HZ PHE 29 HZ PHE 29 57.895 -3.205 -2.716 214 H GLU 30 HN GLU 30 61.801 -3.174 3.810 215 HA GLU 30 HA GLU 30 64.170 -3.680 2.065 216 1HB GLU 30 HB2 GLU 30 63.812 -4.605 4.923 217 2HB GLU 30 HB1 GLU 30 65.313 -4.462 4.006 218 1HG GLU 30 HG2 GLU 30 65.558 -2.333 4.683 219 2HG GLU 30 HG1 GLU 30 63.982 -1.917 4.010 220 H THR 31 HN THR 31 64.652 -5.829 1.442 221 HA THR 31 HA THR 31 62.353 -7.588 1.195 222 HB THR 31 HB THR 31 64.211 -9.175 0.282 223 HG1 THR 31 HG1 THR 31 65.985 -8.167 1.141 224 1HG2 THR 31 HG21 THR 31 64.424 -7.024 -1.554 225 2HG2 THR 31 HG22 THR 31 62.832 -6.902 -0.805 226 3HG2 THR 31 HG23 THR 31 63.312 -8.391 -1.620 227 H ASN 32 HN ASN 32 63.171 -10.117 1.645 228 HA ASN 32 HA ASN 32 63.078 -10.331 4.525 229 1HB ASN 32 HB2 ASN 32 63.863 -12.604 2.713 230 2HB ASN 32 HB1 ASN 32 62.896 -12.648 4.187 231 1HD2 ASN 32 HD21 ASN 32 61.179 -10.369 3.470 232 2HD2 ASN 32 HD22 ASN 32 60.169 -10.894 2.211 233 H SER 33 HN SER 33 64.803 -10.108 5.856 234 HA SER 33 HA SER 33 67.500 -9.896 4.917 235 1HB SER 33 HB2 SER 33 66.382 -9.095 7.164 236 2HB SER 33 HB1 SER 33 66.871 -10.683 7.747 237 HG SER 33 HG SER 33 68.612 -8.877 6.421 238 H GLU 34 HN GLU 34 65.524 -12.621 5.610 239 HA GLU 34 HA GLU 34 67.428 -14.531 6.472 240 1HB GLU 34 HB2 GLU 34 65.034 -14.898 4.644 241 2HB GLU 34 HB1 GLU 34 65.915 -16.214 5.420 242 1HG GLU 34 HG2 GLU 34 65.454 -14.875 7.624 243 2HG GLU 34 HG1 GLU 34 64.181 -14.105 6.677 244 H CYS 35 HN CYS 35 66.932 -13.065 3.341 245 HA CYS 35 HA CYS 35 68.437 -15.046 1.843 246 1HB CYS 35 HB2 CYS 35 67.304 -12.336 1.313 247 2HB CYS 35 HB1 CYS 35 68.612 -12.885 0.266 248 H SER 36 HN SER 36 70.607 -14.805 1.053 249 HA SER 36 HA SER 36 72.425 -13.599 2.964 250 1HB SER 36 HB2 SER 36 73.319 -15.510 1.950 251 2HB SER 36 HB1 SER 36 72.729 -15.058 0.353 252 HG SER 36 HG SER 36 75.007 -14.736 0.640 253 H LYS 37 HN LYS 37 71.293 -12.753 -0.292 254 HA LYS 37 HA LYS 37 72.735 -10.147 0.002 255 1HB LYS 37 HB2 LYS 37 71.939 -11.670 -2.496 256 2HB LYS 37 HB1 LYS 37 72.596 -10.033 -2.505 257 1HG LYS 37 HG2 LYS 37 74.348 -11.482 -0.873 258 2HG LYS 37 HG1 LYS 37 73.992 -12.568 -2.216 259 1HD LYS 37 HD2 LYS 37 74.331 -10.173 -3.515 260 2HD LYS 37 HD1 LYS 37 75.500 -10.038 -2.201 261 1HE LYS 37 HE2 LYS 37 76.890 -11.431 -3.286 262 2HE LYS 37 HE1 LYS 37 75.656 -12.691 -3.255 263 1HZ LYS 37 HZ1 LYS 37 75.076 -10.687 -5.197 264 2HZ LYS 37 HZ2 LYS 37 75.214 -12.370 -5.390 265 3HZ LYS 37 HZ3 LYS 37 76.597 -11.386 -5.471 266 HA PRO 38 HA PRO 38 68.250 -9.197 0.143 267 1HB PRO 38 HB2 PRO 38 68.483 -7.427 2.232 268 2HB PRO 38 HB1 PRO 38 68.240 -9.169 2.448 269 1HG PRO 38 HG2 PRO 38 70.718 -7.557 2.840 270 2HG PRO 38 HG1 PRO 38 70.241 -9.084 3.601 271 1HD PRO 38 HD2 PRO 38 72.090 -8.797 1.475 272 2HD PRO 38 HD1 PRO 38 71.355 -10.320 2.023 273 H GLY 39 HN GLY 39 67.478 -6.629 0.566 274 1HA GLY 39 HA2 GLY 39 69.172 -4.576 -0.380 275 2HA GLY 39 HA1 GLY 39 68.276 -5.234 -1.745 276 H VAL 40 HN VAL 40 67.555 -2.778 -1.490 277 HA VAL 40 HA VAL 40 65.137 -2.750 0.275 278 HB VAL 40 HB VAL 40 66.809 -0.415 -0.704 279 1HG1 VAL 40 HG11 VAL 40 65.319 0.789 1.024 280 2HG1 VAL 40 HG12 VAL 40 64.260 -0.617 0.905 281 3HG1 VAL 40 HG13 VAL 40 64.578 0.371 -0.521 282 1HG2 VAL 40 HG21 VAL 40 66.394 -1.216 2.165 283 2HG2 VAL 40 HG22 VAL 40 67.713 -0.289 1.451 284 3HG2 VAL 40 HG23 VAL 40 67.625 -2.033 1.201 285 H ILE 41 HN ILE 41 63.184 -2.363 -0.718 286 HA ILE 41 HA ILE 41 63.245 -2.036 -3.678 287 HB ILE 41 HB ILE 41 60.875 -2.763 -1.938 288 1HG1 ILE 41 HG12 ILE 41 62.890 -4.561 -3.327 289 2HG1 ILE 41 HG11 ILE 41 62.645 -4.420 -1.586 290 1HG2 ILE 41 HG21 ILE 41 59.921 -2.318 -3.971 291 2HG2 ILE 41 HG22 ILE 41 60.497 -3.942 -4.348 292 3HG2 ILE 41 HG23 ILE 41 61.438 -2.535 -4.845 293 1HD1 ILE 41 HD11 ILE 41 60.827 -5.771 -1.621 294 2HD1 ILE 41 HD12 ILE 41 61.388 -6.257 -3.221 295 3HD1 ILE 41 HD13 ILE 41 60.172 -4.990 -3.059 296 H PHE 42 HN PHE 42 62.617 -0.117 -4.560 297 HA PHE 42 HA PHE 42 61.320 1.866 -2.742 298 1HB PHE 42 HB2 PHE 42 63.221 2.098 -5.048 299 2HB PHE 42 HB1 PHE 42 62.110 3.431 -4.730 300 HD1 PHE 42 HD1 PHE 42 64.809 1.344 -3.263 301 HD2 PHE 42 HD2 PHE 42 62.383 4.863 -2.828 302 HE1 PHE 42 HE1 PHE 42 66.262 2.117 -1.407 303 HE2 PHE 42 HE2 PHE 42 63.836 5.635 -0.973 304 HZ PHE 42 HZ PHE 42 65.775 4.262 -0.262 305 H LEU 43 HN LEU 43 59.216 2.323 -3.147 306 HA LEU 43 HA LEU 43 58.054 1.436 -5.736 307 1HB LEU 43 HB2 LEU 43 57.066 0.802 -3.440 308 2HB LEU 43 HB1 LEU 43 56.525 2.478 -3.348 309 HG LEU 43 HG LEU 43 55.920 1.233 -5.930 310 1HD1 LEU 43 HD11 LEU 43 54.837 0.046 -3.365 311 2HD1 LEU 43 HD12 LEU 43 55.600 -0.801 -4.711 312 3HD1 LEU 43 HD13 LEU 43 53.995 -0.098 -4.907 313 1HD2 LEU 43 HD21 LEU 43 55.028 3.405 -5.043 314 2HD2 LEU 43 HD22 LEU 43 54.153 2.496 -3.810 315 3HD2 LEU 43 HD23 LEU 43 53.758 2.276 -5.515 316 H THR 44 HN THR 44 57.396 2.918 -7.240 317 HA THR 44 HA THR 44 57.765 5.784 -6.584 318 HB THR 44 HB THR 44 57.707 6.159 -8.973 319 HG1 THR 44 HG1 THR 44 57.213 4.430 -10.365 320 1HG2 THR 44 HG21 THR 44 59.352 3.941 -7.877 321 2HG2 THR 44 HG22 THR 44 59.858 5.460 -8.616 322 3HG2 THR 44 HG23 THR 44 59.337 4.116 -9.632 323 H LYS 45 HN LYS 45 56.042 7.248 -7.767 324 HA LYS 45 HA LYS 45 53.461 6.569 -6.594 325 1HB LYS 45 HB2 LYS 45 54.403 8.907 -6.717 326 2HB LYS 45 HB1 LYS 45 54.121 8.865 -8.458 327 1HG LYS 45 HG2 LYS 45 51.700 8.011 -7.442 328 2HG LYS 45 HG1 LYS 45 52.202 9.224 -6.264 329 1HD LYS 45 HD2 LYS 45 52.724 10.110 -8.986 330 2HD LYS 45 HD1 LYS 45 51.020 9.721 -8.751 331 1HE LYS 45 HE2 LYS 45 50.717 11.372 -7.164 332 2HE LYS 45 HE1 LYS 45 52.393 11.303 -6.620 333 1HZ LYS 45 HZ1 LYS 45 51.867 13.334 -7.878 334 2HZ LYS 45 HZ2 LYS 45 51.518 12.383 -9.243 335 3HZ LYS 45 HZ3 LYS 45 53.093 12.415 -8.606 336 H LYS 46 HN LYS 46 54.904 5.500 -9.343 337 HA LYS 46 HA LYS 46 52.391 5.540 -10.946 338 1HB LYS 46 HB2 LYS 46 55.127 4.598 -11.840 339 2HB LYS 46 HB1 LYS 46 53.742 5.001 -12.856 340 1HG LYS 46 HG2 LYS 46 54.237 7.269 -11.229 341 2HG LYS 46 HG1 LYS 46 55.801 6.747 -11.856 342 1HD LYS 46 HD2 LYS 46 54.436 6.520 -14.123 343 2HD LYS 46 HD1 LYS 46 53.388 7.705 -13.344 344 1HE LYS 46 HE2 LYS 46 56.372 7.984 -13.805 345 2HE LYS 46 HE1 LYS 46 55.099 8.865 -14.650 346 1HZ LYS 46 HZ1 LYS 46 54.535 9.297 -12.034 347 2HZ LYS 46 HZ2 LYS 46 55.350 10.381 -13.058 348 3HZ LYS 46 HZ3 LYS 46 56.230 9.330 -12.054 349 H GLY 47 HN GLY 47 52.912 3.827 -8.558 350 1HA GLY 47 HA2 GLY 47 52.556 1.611 -7.913 351 2HA GLY 47 HA1 GLY 47 51.784 1.412 -9.483 352 H ARG 48 HN ARG 48 55.151 2.339 -8.952 353 HA ARG 48 HA ARG 48 55.951 -0.254 -10.216 354 1HB ARG 48 HB2 ARG 48 56.431 2.404 -11.084 355 2HB ARG 48 HB1 ARG 48 57.973 1.773 -10.503 356 1HG ARG 48 HG2 ARG 48 58.092 0.863 -12.593 357 2HG ARG 48 HG1 ARG 48 57.056 -0.379 -11.888 358 1HD ARG 48 HD2 ARG 48 55.159 1.399 -12.568 359 2HD ARG 48 HD1 ARG 48 56.366 1.810 -13.787 360 HE ARG 48 HE ARG 48 54.684 -0.379 -14.044 361 1HH1 ARG 48 HH11 ARG 48 57.870 0.549 -14.669 362 2HH1 ARG 48 HH12 ARG 48 58.406 -1.021 -15.167 363 1HH2 ARG 48 HH21 ARG 48 55.453 -2.604 -14.274 364 2HH2 ARG 48 HH22 ARG 48 57.037 -2.806 -14.943 365 H ARG 49 HN ARG 49 57.874 -1.238 -9.399 366 HA ARG 49 HA ARG 49 59.098 0.000 -6.993 367 1HB ARG 49 HB2 ARG 49 58.920 -2.276 -5.847 368 2HB ARG 49 HB1 ARG 49 57.413 -1.369 -5.985 369 1HG ARG 49 HG2 ARG 49 56.490 -2.890 -7.394 370 2HG ARG 49 HG1 ARG 49 57.986 -3.083 -8.308 371 1HD ARG 49 HD2 ARG 49 58.708 -4.253 -5.969 372 2HD ARG 49 HD1 ARG 49 56.983 -4.621 -5.980 373 HE ARG 49 HE ARG 49 58.601 -5.255 -8.397 374 1HH1 ARG 49 HH11 ARG 49 59.129 -7.280 -6.329 375 2HH1 ARG 49 HH12 ARG 49 57.852 -8.426 -6.565 376 1HH2 ARG 49 HH21 ARG 49 55.892 -6.258 -8.431 377 2HH2 ARG 49 HH22 ARG 49 56.020 -7.848 -7.755 378 H PHE 50 HN PHE 50 61.275 -0.509 -6.800 379 HA PHE 50 HA PHE 50 62.372 -2.734 -8.420 380 1HB PHE 50 HB2 PHE 50 64.229 -0.941 -9.082 381 2HB PHE 50 HB1 PHE 50 62.774 -1.146 -10.057 382 HD1 PHE 50 HD1 PHE 50 61.462 0.726 -10.528 383 HD2 PHE 50 HD2 PHE 50 63.997 0.755 -7.061 384 HE1 PHE 50 HE1 PHE 50 60.833 3.084 -10.089 385 HE2 PHE 50 HE2 PHE 50 63.368 3.114 -6.622 386 HZ PHE 50 HZ PHE 50 61.786 4.278 -8.136 387 H CYS 51 HN CYS 51 64.402 -3.474 -7.621 388 HA CYS 51 HA CYS 51 64.860 -3.000 -4.818 389 1HB CYS 51 HB2 CYS 51 66.783 -4.290 -6.766 390 2HB CYS 51 HB1 CYS 51 66.638 -4.583 -5.037 391 H ALA 52 HN ALA 52 66.804 -2.071 -3.875 392 HA ALA 52 HA ALA 52 68.419 -0.335 -5.662 393 1HB ALA 52 HB1 ALA 52 66.969 1.354 -5.039 394 2HB ALA 52 HB2 ALA 52 68.086 1.422 -3.676 395 3HB ALA 52 HB3 ALA 52 66.548 0.574 -3.515 396 H ASN 53 HN ASN 53 70.309 0.615 -4.370 397 HA ASN 53 HA ASN 53 71.380 -1.524 -2.643 398 1HB ASN 53 HB2 ASN 53 72.699 -0.426 -4.531 399 2HB ASN 53 HB1 ASN 53 72.787 1.009 -3.509 400 1HD2 ASN 53 HD21 ASN 53 74.587 -1.633 -4.330 401 2HD2 ASN 53 HD22 ASN 53 75.461 -1.852 -2.891 402 HA PRO 54 HA PRO 54 70.376 0.849 0.971 403 1HB PRO 54 HB2 PRO 54 71.664 -0.794 2.763 404 2HB PRO 54 HB1 PRO 54 70.078 -1.160 2.062 405 1HG PRO 54 HG2 PRO 54 72.737 -2.351 1.416 406 2HG PRO 54 HG1 PRO 54 71.122 -3.064 1.267 407 1HD PRO 54 HD2 PRO 54 72.653 -2.010 -0.857 408 2HD PRO 54 HD1 PRO 54 70.916 -2.379 -0.913 409 H SER 55 HN SER 55 73.477 0.285 -0.331 410 HA SER 55 HA SER 55 74.866 1.890 1.736 411 1HB SER 55 HB2 SER 55 75.939 0.624 -0.803 412 2HB SER 55 HB1 SER 55 76.903 1.359 0.475 413 HG SER 55 HG SER 55 75.061 -0.665 1.103 414 H ASP 56 HN ASP 56 73.048 2.458 -1.016 415 HA ASP 56 HA ASP 56 74.614 4.558 -2.243 416 1HB ASP 56 HB2 ASP 56 72.656 3.279 -3.286 417 2HB ASP 56 HB1 ASP 56 71.601 4.313 -2.323 418 H LYS 57 HN LYS 57 74.876 6.625 -1.537 419 HA LYS 57 HA LYS 57 73.982 7.522 0.993 420 1HB LYS 57 HB2 LYS 57 74.832 9.090 -1.459 421 2HB LYS 57 HB1 LYS 57 74.564 9.822 0.124 422 1HG LYS 57 HG2 LYS 57 76.363 8.647 1.104 423 2HG LYS 57 HG1 LYS 57 76.423 7.470 -0.208 424 1HD LYS 57 HD2 LYS 57 76.978 9.503 -1.722 425 2HD LYS 57 HD1 LYS 57 77.352 10.338 -0.214 426 1HE LYS 57 HE2 LYS 57 78.686 8.001 0.179 427 2HE LYS 57 HE1 LYS 57 78.814 8.151 -1.574 428 1HZ LYS 57 HZ1 LYS 57 79.422 10.411 0.232 429 2HZ LYS 57 HZ2 LYS 57 79.874 10.205 -1.393 430 3HZ LYS 57 HZ3 LYS 57 80.599 9.261 -0.180 431 H GLN 58 HN GLN 58 72.675 8.310 -2.245 432 HA GLN 58 HA GLN 58 70.547 9.961 -1.392 433 1HB GLN 58 HB2 GLN 58 71.313 8.577 -3.812 434 2HB GLN 58 HB1 GLN 58 69.572 8.440 -3.565 435 1HG GLN 58 HG2 GLN 58 69.360 10.852 -3.353 436 2HG GLN 58 HG1 GLN 58 71.111 11.048 -3.430 437 1HE2 GLN 58 HE21 GLN 58 69.851 12.459 -5.358 438 2HE2 GLN 58 HE22 GLN 58 69.930 11.688 -6.869 439 H VAL 59 HN VAL 59 70.916 6.492 -1.251 440 HA VAL 59 HA VAL 59 68.087 5.959 -0.782 441 HB VAL 59 HB VAL 59 70.602 4.310 -0.449 442 1HG1 VAL 59 HG11 VAL 59 68.907 2.401 -0.150 443 2HG1 VAL 59 HG12 VAL 59 67.730 3.658 0.230 444 3HG1 VAL 59 HG13 VAL 59 69.161 3.455 1.241 445 1HG2 VAL 59 HG21 VAL 59 69.873 3.198 -2.411 446 2HG2 VAL 59 HG22 VAL 59 69.556 4.901 -2.739 447 3HG2 VAL 59 HG23 VAL 59 68.235 3.834 -2.263 448 H GLN 60 HN GLN 60 71.005 6.116 1.274 449 HA GLN 60 HA GLN 60 69.516 5.689 3.723 450 1HB GLN 60 HB2 GLN 60 71.617 6.382 4.841 451 2HB GLN 60 HB1 GLN 60 71.915 5.175 3.590 452 1HG GLN 60 HG2 GLN 60 72.434 7.068 2.003 453 2HG GLN 60 HG1 GLN 60 72.342 8.167 3.380 454 1HE2 GLN 60 HE21 GLN 60 74.217 5.490 1.981 455 2HE2 GLN 60 HE22 GLN 60 75.575 5.694 2.979 456 H VAL 61 HN VAL 61 70.362 8.502 1.802 457 HA VAL 61 HA VAL 61 69.786 10.434 3.894 458 HB VAL 61 HB VAL 61 69.940 10.699 0.877 459 1HG1 VAL 61 HG11 VAL 61 68.460 12.405 2.052 460 2HG1 VAL 61 HG12 VAL 61 69.833 13.078 1.173 461 3HG1 VAL 61 HG13 VAL 61 69.899 12.925 2.929 462 1HG2 VAL 61 HG21 VAL 61 72.019 12.092 1.798 463 2HG2 VAL 61 HG22 VAL 61 72.129 10.348 1.558 464 3HG2 VAL 61 HG23 VAL 61 71.841 11.000 3.171 465 H CYS 62 HN CYS 62 67.933 8.889 1.308 466 HA CYS 62 HA CYS 62 65.567 10.532 1.749 467 1HB CYS 62 HB2 CYS 62 66.301 8.199 0.057 468 2HB CYS 62 HB1 CYS 62 64.593 8.361 0.464 469 H MET 63 HN MET 63 66.816 7.486 2.978 470 HA MET 63 HA MET 63 64.538 6.290 4.057 471 1HB MET 63 HB2 MET 63 67.353 6.529 5.125 472 2HB MET 63 HB1 MET 63 66.116 5.612 5.986 473 1HG MET 63 HG2 MET 63 65.840 4.729 3.374 474 2HG MET 63 HG1 MET 63 67.584 4.918 3.548 475 1HE MET 63 HE1 MET 63 68.557 1.732 4.824 476 2HE MET 63 HE2 MET 63 68.904 3.277 4.053 477 3HE MET 63 HE3 MET 63 67.838 2.123 3.256 478 H ARG 64 HN ARG 64 66.473 8.929 5.482 479 HA ARG 64 HA ARG 64 64.875 9.191 7.851 480 1HB ARG 64 HB2 ARG 64 67.220 10.192 7.292 481 2HB ARG 64 HB1 ARG 64 66.301 11.512 6.567 482 1HG ARG 64 HG2 ARG 64 65.310 12.114 8.617 483 2HG ARG 64 HG1 ARG 64 65.680 10.556 9.357 484 1HD ARG 64 HD2 ARG 64 67.959 12.246 8.407 485 2HD ARG 64 HD1 ARG 64 67.146 12.704 9.904 486 HE ARG 64 HE ARG 64 67.602 10.082 10.378 487 1HH1 ARG 64 HH11 ARG 64 69.447 12.737 10.730 488 2HH1 ARG 64 HH12 ARG 64 70.988 11.973 10.521 489 1HH2 ARG 64 HH21 ARG 64 69.650 8.993 9.357 490 2HH2 ARG 64 HH22 ARG 64 71.102 9.854 9.743 491 H MET 65 HN MET 65 64.784 10.878 4.708 492 HA MET 65 HA MET 65 62.655 12.659 5.336 493 1HB MET 65 HB2 MET 65 64.121 12.741 3.277 494 2HB MET 65 HB1 MET 65 63.179 11.397 2.632 495 1HG MET 65 HG2 MET 65 61.280 12.684 2.340 496 2HG MET 65 HG1 MET 65 61.697 13.783 3.655 497 1HE MET 65 HE1 MET 65 64.061 16.225 2.503 498 2HE MET 65 HE2 MET 65 64.946 14.708 2.649 499 3HE MET 65 HE3 MET 65 63.629 15.062 3.764 500 H LEU 66 HN LEU 66 62.475 9.555 3.548 501 HA LEU 66 HA LEU 66 59.587 9.466 3.713 502 1HB LEU 66 HB2 LEU 66 61.719 7.474 2.946 503 2HB LEU 66 HB1 LEU 66 60.026 6.992 3.066 504 HG LEU 66 HG LEU 66 60.784 9.432 1.478 505 1HD1 LEU 66 HD11 LEU 66 60.974 6.535 0.625 506 2HD1 LEU 66 HD12 LEU 66 62.217 7.780 0.507 507 3HD1 LEU 66 HD13 LEU 66 60.793 7.855 -0.531 508 1HD2 LEU 66 HD21 LEU 66 58.561 7.370 1.304 509 2HD2 LEU 66 HD22 LEU 66 58.736 8.762 0.235 510 3HD2 LEU 66 HD23 LEU 66 58.411 9.004 1.952 511 H LYS 67 HN LYS 67 59.245 9.767 6.028 512 HA LYS 67 HA LYS 67 60.326 8.128 8.066 513 1HB LYS 67 HB2 LYS 67 58.027 9.929 7.769 514 2HB LYS 67 HB1 LYS 67 57.738 8.619 8.915 515 1HG LYS 67 HG2 LYS 67 60.266 10.272 8.985 516 2HG LYS 67 HG1 LYS 67 58.811 10.752 9.860 517 1HD LYS 67 HD2 LYS 67 59.435 9.378 11.530 518 2HD LYS 67 HD1 LYS 67 59.179 8.017 10.437 519 1HE LYS 67 HE2 LYS 67 61.409 7.738 10.054 520 2HE LYS 67 HE1 LYS 67 61.725 9.473 10.049 521 1HZ LYS 67 HZ1 LYS 67 61.770 9.535 12.376 522 2HZ LYS 67 HZ2 LYS 67 62.672 8.156 11.963 523 3HZ LYS 67 HZ3 LYS 67 61.078 7.994 12.529 524 H LEU 68 HN LEU 68 59.547 6.179 9.031 525 HA LEU 68 HA LEU 68 58.361 4.307 7.159 526 1HB LEU 68 HB2 LEU 68 59.892 4.107 9.484 527 2HB LEU 68 HB1 LEU 68 58.325 3.440 9.944 528 HG LEU 68 HG LEU 68 58.711 2.350 7.442 529 1HD1 LEU 68 HD11 LEU 68 61.048 3.263 7.477 530 2HD1 LEU 68 HD12 LEU 68 60.988 1.504 7.364 531 3HD1 LEU 68 HD13 LEU 68 61.367 2.277 8.904 532 1HD2 LEU 68 HD21 LEU 68 58.613 1.512 10.190 533 2HD2 LEU 68 HD22 LEU 68 59.837 0.561 9.348 534 3HD2 LEU 68 HD23 LEU 68 58.178 0.594 8.749 535 H ASP 69 HN ASP 69 56.243 3.631 7.038 536 HA ASP 69 HA ASP 69 54.278 5.141 8.662 537 1HB ASP 69 HB2 ASP 69 54.311 4.454 6.007 538 2HB ASP 69 HB1 ASP 69 53.284 3.190 6.684 539 H THR 70 HN THR 70 55.109 3.745 10.563 540 HA THR 70 HA THR 70 54.293 0.947 10.600 541 HB THR 70 HB THR 70 54.754 1.245 13.117 542 HG1 THR 70 HG1 THR 70 55.839 3.153 13.628 543 1HG2 THR 70 HG21 THR 70 56.424 0.256 11.697 544 2HG2 THR 70 HG22 THR 70 57.238 1.466 12.689 545 3HG2 THR 70 HG23 THR 70 56.845 1.824 11.007 546 H ARG 71 HN ARG 71 52.911 4.020 11.657 547 HA ARG 71 HA ARG 71 50.532 2.545 12.692 548 1HB ARG 71 HB2 ARG 71 51.939 4.592 13.849 549 2HB ARG 71 HB1 ARG 71 50.644 5.475 13.039 550 1HG ARG 71 HG2 ARG 71 49.081 4.714 14.486 551 2HG ARG 71 HG1 ARG 71 49.690 3.061 14.395 552 1HD ARG 71 HD2 ARG 71 51.701 4.331 15.777 553 2HD ARG 71 HD1 ARG 71 50.265 5.164 16.374 554 HE ARG 71 HE ARG 71 49.438 3.037 17.214 555 1HH1 ARG 71 HH11 ARG 71 50.869 1.365 15.081 556 2HH1 ARG 71 HH12 ARG 71 52.047 0.541 16.049 557 1HH2 ARG 71 HH21 ARG 71 51.686 2.664 18.767 558 2HH2 ARG 71 HH22 ARG 71 52.509 1.277 18.136 559 H ILE 72 HN ILE 72 48.866 4.971 12.391 560 HA ILE 72 HA ILE 72 48.535 4.920 9.416 561 HB ILE 72 HB ILE 72 46.097 5.138 9.814 562 1HG1 ILE 72 HG12 ILE 72 46.382 4.376 12.668 563 2HG1 ILE 72 HG11 ILE 72 46.787 6.049 12.283 564 1HG2 ILE 72 HG21 ILE 72 46.271 2.805 11.389 565 2HG2 ILE 72 HG22 ILE 72 47.757 2.851 10.440 566 3HG2 ILE 72 HG23 ILE 72 46.191 2.895 9.629 567 1HD1 ILE 72 HD11 ILE 72 44.471 6.134 12.715 568 2HD1 ILE 72 HD12 ILE 72 44.169 4.610 11.881 569 3HD1 ILE 72 HD13 ILE 72 44.557 6.060 10.955 570 H LYS 73 HN LYS 73 50.133 6.876 10.206 571 HA LYS 73 HA LYS 73 48.521 9.288 9.792 572 1HB LYS 73 HB2 LYS 73 49.006 8.566 12.421 573 2HB LYS 73 HB1 LYS 73 50.317 9.694 12.076 574 1HG LYS 73 HG2 LYS 73 48.660 11.335 11.227 575 2HG LYS 73 HG1 LYS 73 47.361 10.215 11.641 576 1HD LYS 73 HD2 LYS 73 49.380 11.221 13.661 577 2HD LYS 73 HD1 LYS 73 47.824 12.004 13.382 578 1HE LYS 73 HE2 LYS 73 47.881 9.051 13.893 579 2HE LYS 73 HE1 LYS 73 48.064 10.154 15.257 580 1HZ LYS 73 HZ1 LYS 73 46.008 11.219 13.837 581 2HZ LYS 73 HZ2 LYS 73 45.857 10.266 15.236 582 3HZ LYS 73 HZ3 LYS 73 45.735 9.551 13.700 583 H THR 74 HN THR 74 49.808 9.433 7.874 584 HA THR 74 HA THR 74 52.584 9.225 7.637 585 HB THR 74 HB THR 74 52.181 11.250 5.934 586 HG1 THR 74 HG1 THR 74 50.172 11.838 6.576 587 1HG2 THR 74 HG21 THR 74 51.155 8.414 5.732 588 2HG2 THR 74 HG22 THR 74 52.693 9.051 5.152 589 3HG2 THR 74 HG23 THR 74 51.190 9.513 4.354 590 H ARG 75 HN ARG 75 50.682 11.945 8.880 591 HA ARG 75 HA ARG 75 53.183 13.035 10.056 592 1HB ARG 75 HB2 ARG 75 51.405 14.388 8.072 593 2HB ARG 75 HB1 ARG 75 52.055 15.365 9.389 594 1HG ARG 75 HG2 ARG 75 54.225 13.825 8.506 595 2HG ARG 75 HG1 ARG 75 53.407 14.340 7.030 596 1HD ARG 75 HD2 ARG 75 53.734 16.601 7.475 597 2HD ARG 75 HD1 ARG 75 53.865 16.344 9.215 598 HE ARG 75 HE ARG 75 56.025 15.480 7.333 599 1HH1 ARG 75 HH11 ARG 75 55.649 15.171 10.487 600 2HH1 ARG 75 HH12 ARG 75 56.866 16.290 11.003 601 1HH2 ARG 75 HH21 ARG 75 57.264 17.715 7.867 602 2HH2 ARG 75 HH22 ARG 75 57.780 17.730 9.520 603 H LYS 76 HN LYS 76 52.814 14.194 12.002 604 HA LYS 76 HA LYS 76 49.991 14.103 12.993 605 1HB LYS 76 HB2 LYS 76 50.947 13.700 15.257 606 2HB LYS 76 HB1 LYS 76 51.339 12.403 14.128 607 1HG LYS 76 HG2 LYS 76 53.290 14.611 14.148 608 2HG LYS 76 HG1 LYS 76 53.184 13.728 15.671 609 1HD LYS 76 HD2 LYS 76 53.447 12.334 13.000 610 2HD LYS 76 HD1 LYS 76 54.845 12.799 13.969 611 1HE LYS 76 HE2 LYS 76 52.575 11.043 14.949 612 2HE LYS 76 HE1 LYS 76 54.139 10.447 14.395 613 1HZ LYS 76 HZ1 LYS 76 53.436 11.774 16.873 614 2HZ LYS 76 HZ2 LYS 76 54.890 12.293 16.165 615 3HZ LYS 76 HZ3 LYS 76 54.668 10.653 16.552 616 H ASN 77 HN ASN 77 52.630 16.060 12.244 617 HA ASN 77 HA ASN 77 53.122 18.309 12.702 618 1HB ASN 77 HB2 ASN 77 50.412 18.110 12.203 619 2HB ASN 77 HB1 ASN 77 50.455 18.952 13.753 620 1HD2 ASN 77 HD21 ASN 77 51.944 19.085 10.473 621 2HD2 ASN 77 HD22 ASN 77 52.130 20.772 10.465 Start of MODEL 11 1 1H MET 1 HT1 MET 1 47.997 12.993 -23.650 2 2H MET 1 HT2 MET 1 48.451 11.494 -22.992 3 3H MET 1 HT3 MET 1 49.629 12.535 -23.636 4 HA MET 1 HA MET 1 48.081 13.809 -21.600 5 1HB MET 1 HB2 MET 1 48.424 11.152 -21.076 6 2HB MET 1 HB1 MET 1 49.919 11.816 -20.417 7 1HG MET 1 HG2 MET 1 48.729 12.367 -18.580 8 2HG MET 1 HG1 MET 1 47.953 13.605 -19.568 9 1HE MET 1 HE1 MET 1 45.444 12.395 -17.345 10 2HE MET 1 HE2 MET 1 47.193 12.383 -17.135 11 3HE MET 1 HE3 MET 1 46.298 10.866 -17.091 12 H ASP 2 HN ASP 2 50.031 14.277 -19.801 13 HA ASP 2 HA ASP 2 52.436 15.032 -21.408 14 1HB ASP 2 HB2 ASP 2 50.563 16.849 -20.590 15 2HB ASP 2 HB1 ASP 2 51.677 16.870 -19.222 16 H ARG 3 HN ARG 3 54.406 14.911 -20.276 17 HA ARG 3 HA ARG 3 54.227 13.539 -17.633 18 1HB ARG 3 HB2 ARG 3 56.545 13.693 -19.587 19 2HB ARG 3 HB1 ARG 3 56.511 12.750 -18.096 20 1HG ARG 3 HG2 ARG 3 54.166 12.097 -19.585 21 2HG ARG 3 HG1 ARG 3 55.543 12.002 -20.683 22 1HD ARG 3 HD2 ARG 3 56.627 10.371 -19.389 23 2HD ARG 3 HD1 ARG 3 55.705 10.773 -17.940 24 HE ARG 3 HE ARG 3 53.713 9.740 -19.134 25 1HH1 ARG 3 HH11 ARG 3 54.861 9.281 -21.799 26 2HH1 ARG 3 HH12 ARG 3 55.400 7.636 -21.720 27 1HH2 ARG 3 HH21 ARG 3 55.311 7.495 -18.256 28 2HH2 ARG 3 HH22 ARG 3 55.655 6.626 -19.714 29 H PHE 4 HN PHE 4 56.713 14.049 -16.601 30 HA PHE 4 HA PHE 4 56.759 17.033 -16.373 31 1HB PHE 4 HB2 PHE 4 57.465 16.698 -14.012 32 2HB PHE 4 HB1 PHE 4 55.869 16.016 -14.326 33 HD1 PHE 4 HD1 PHE 4 59.300 15.313 -13.365 34 HD2 PHE 4 HD2 PHE 4 55.634 13.539 -14.731 35 HE1 PHE 4 HE1 PHE 4 60.106 13.084 -12.635 36 HE2 PHE 4 HE2 PHE 4 56.440 11.311 -14.001 37 HZ PHE 4 HZ PHE 4 58.676 11.083 -12.953 38 H HIS 5 HN HIS 5 59.075 17.245 -14.831 39 HA HIS 5 HA HIS 5 61.180 15.823 -16.380 40 1HB HIS 5 HB2 HIS 5 60.691 18.780 -16.275 41 2HB HIS 5 HB1 HIS 5 62.354 18.196 -16.351 42 HD1 HIS 5 HD1 HIS 5 60.484 19.615 -18.678 43 HD2 HIS 5 HD2 HIS 5 61.753 15.650 -18.456 44 HE1 HIS 5 HE1 HIS 5 60.406 18.704 -21.040 45 H ALA 6 HN ALA 6 60.370 17.940 -13.641 46 HA ALA 6 HA ALA 6 61.972 16.384 -11.820 47 1HB ALA 6 HB1 ALA 6 63.328 18.466 -13.280 48 2HB ALA 6 HB2 ALA 6 63.983 17.364 -12.069 49 3HB ALA 6 HB3 ALA 6 63.263 18.894 -11.570 50 H THR 7 HN THR 7 60.184 16.487 -10.444 51 HA THR 7 HA THR 7 59.693 19.157 -9.217 52 HB THR 7 HB THR 7 57.807 18.977 -10.644 53 HG1 THR 7 HG1 THR 7 56.267 18.984 -9.166 54 1HG2 THR 7 HG21 THR 7 58.038 16.745 -11.464 55 2HG2 THR 7 HG22 THR 7 56.458 16.814 -10.683 56 3HG2 THR 7 HG23 THR 7 57.819 16.059 -9.853 57 H SER 8 HN SER 8 59.690 19.040 -7.010 58 HA SER 8 HA SER 8 60.557 16.850 -5.548 59 1HB SER 8 HB2 SER 8 58.786 18.065 -3.789 60 2HB SER 8 HB1 SER 8 60.461 18.542 -4.051 61 HG SER 8 HG SER 8 58.089 19.605 -5.135 62 H ALA 9 HN ALA 9 59.674 14.914 -4.974 63 HA ALA 9 HA ALA 9 56.877 14.374 -5.763 64 1HB ALA 9 HB1 ALA 9 58.808 12.798 -6.281 65 2HB ALA 9 HB2 ALA 9 57.421 12.053 -5.487 66 3HB ALA 9 HB3 ALA 9 58.868 12.439 -4.555 67 H ASP 10 HN ASP 10 55.601 12.957 -4.137 68 HA ASP 10 HA ASP 10 56.203 13.580 -1.310 69 1HB ASP 10 HB2 ASP 10 54.364 15.130 -2.839 70 2HB ASP 10 HB1 ASP 10 53.422 14.145 -1.720 71 H CYS 11 HN CYS 11 53.695 12.247 -3.494 72 HA CYS 11 HA CYS 11 53.294 10.049 -1.517 73 1HB CYS 11 HB2 CYS 11 51.563 10.746 -3.905 74 2HB CYS 11 HB1 CYS 11 51.156 9.666 -2.572 75 H CYS 12 HN CYS 12 52.934 7.848 -2.510 76 HA CYS 12 HA CYS 12 55.101 7.257 -4.366 77 1HB CYS 12 HB2 CYS 12 53.042 5.644 -2.888 78 2HB CYS 12 HB1 CYS 12 53.940 4.899 -4.211 79 H ILE 13 HN ILE 13 54.934 7.047 -6.558 80 HA ILE 13 HA ILE 13 52.183 7.130 -7.725 81 HB ILE 13 HB ILE 13 53.732 9.055 -8.236 82 1HG1 ILE 13 HG12 ILE 13 53.320 8.958 -10.707 83 2HG1 ILE 13 HG11 ILE 13 52.853 7.267 -10.525 84 1HG2 ILE 13 HG21 ILE 13 55.731 8.751 -9.374 85 2HG2 ILE 13 HG22 ILE 13 55.214 7.222 -10.085 86 3HG2 ILE 13 HG23 ILE 13 55.705 7.286 -8.392 87 1HD1 ILE 13 HD11 ILE 13 51.048 9.244 -10.435 88 2HD1 ILE 13 HD12 ILE 13 51.525 9.251 -8.737 89 3HD1 ILE 13 HD13 ILE 13 50.874 7.782 -9.464 90 H SER 14 HN SER 14 55.258 5.441 -7.708 91 HA SER 14 HA SER 14 53.996 3.133 -9.000 92 1HB SER 14 HB2 SER 14 54.629 4.201 -11.026 93 2HB SER 14 HB1 SER 14 56.161 4.750 -10.352 94 HG SER 14 HG SER 14 55.615 2.005 -10.408 95 H TYR 15 HN TYR 15 54.747 1.417 -7.859 96 HA TYR 15 HA TYR 15 57.120 1.697 -6.171 97 1HB TYR 15 HB2 TYR 15 55.662 -0.894 -6.663 98 2HB TYR 15 HB1 TYR 15 56.478 -0.346 -5.199 99 HD1 TYR 15 HD1 TYR 15 53.403 -0.208 -7.177 100 HD2 TYR 15 HD2 TYR 15 55.451 1.386 -3.754 101 HE1 TYR 15 HE1 TYR 15 51.265 0.723 -6.331 102 HE2 TYR 15 HE2 TYR 15 53.313 2.317 -2.909 103 HH TYR 15 HH TYR 15 50.851 1.808 -3.186 104 H THR 16 HN THR 16 59.062 0.496 -6.402 105 HA THR 16 HA THR 16 60.177 0.206 -8.932 106 HB THR 16 HB THR 16 61.433 0.064 -6.775 107 HG1 THR 16 HG1 THR 16 62.686 -0.612 -8.361 108 1HG2 THR 16 HG21 THR 16 60.773 -2.856 -6.670 109 2HG2 THR 16 HG22 THR 16 59.654 -1.704 -5.942 110 3HG2 THR 16 HG23 THR 16 61.324 -1.788 -5.379 111 HA PRO 17 HA PRO 17 57.707 -3.313 -10.263 112 1HB PRO 17 HB2 PRO 17 58.358 -3.034 -12.920 113 2HB PRO 17 HB1 PRO 17 57.090 -2.091 -12.117 114 1HG PRO 17 HG2 PRO 17 59.819 -1.232 -12.958 115 2HG PRO 17 HG1 PRO 17 58.350 -0.263 -12.755 116 1HD PRO 17 HD2 PRO 17 60.501 -0.410 -10.923 117 2HD PRO 17 HD1 PRO 17 58.896 0.276 -10.595 118 H ARG 18 HN ARG 18 59.963 -4.096 -9.001 119 HA ARG 18 HA ARG 18 60.944 -6.269 -10.657 120 1HB ARG 18 HB2 ARG 18 62.644 -3.845 -10.181 121 2HB ARG 18 HB1 ARG 18 63.414 -5.432 -10.182 122 1HG ARG 18 HG2 ARG 18 61.770 -5.567 -12.396 123 2HG ARG 18 HG1 ARG 18 62.317 -3.890 -12.426 124 1HD ARG 18 HD2 ARG 18 64.671 -4.705 -12.177 125 2HD ARG 18 HD1 ARG 18 64.073 -6.359 -12.305 126 HE ARG 18 HE ARG 18 63.675 -6.000 -14.628 127 1HH1 ARG 18 HH21 ARG 18 66.089 -4.073 -13.900 128 2HH1 ARG 18 HH22 ARG 18 65.670 -2.726 -14.906 129 1HH2 ARG 18 HH11 ARG 18 62.450 -3.853 -15.526 130 2HH2 ARG 18 HH12 ARG 18 63.610 -2.602 -15.826 131 H SER 19 HN SER 19 62.461 -7.667 -9.376 132 HA SER 19 HA SER 19 61.736 -7.520 -6.505 133 1HB SER 19 HB2 SER 19 63.273 -9.822 -6.943 134 2HB SER 19 HB1 SER 19 61.517 -9.739 -6.832 135 HG SER 19 HG SER 19 61.616 -10.393 -8.833 136 H ILE 20 HN ILE 20 63.142 -6.177 -5.429 137 HA ILE 20 HA ILE 20 66.034 -6.325 -6.087 138 HB ILE 20 HB ILE 20 64.474 -4.435 -4.297 139 1HG1 ILE 20 HG12 ILE 20 65.587 -2.941 -6.288 140 2HG1 ILE 20 HG11 ILE 20 65.280 -4.450 -7.149 141 1HG2 ILE 20 HG21 ILE 20 67.355 -4.197 -5.194 142 2HG2 ILE 20 HG22 ILE 20 66.897 -4.906 -3.645 143 3HG2 ILE 20 HG23 ILE 20 66.513 -3.220 -3.991 144 1HD1 ILE 20 HD11 ILE 20 63.150 -3.219 -5.411 145 2HD1 ILE 20 HD12 ILE 20 62.964 -4.356 -6.746 146 3HD1 ILE 20 HD13 ILE 20 63.381 -2.674 -7.072 147 HA PRO 21 HA PRO 21 66.720 -8.844 -2.526 148 1HB PRO 21 HB2 PRO 21 69.454 -8.560 -2.438 149 2HB PRO 21 HB1 PRO 21 68.614 -9.602 -3.600 150 1HG PRO 21 HG2 PRO 21 69.909 -6.954 -4.050 151 2HG PRO 21 HG1 PRO 21 69.634 -8.277 -5.194 152 1HD PRO 21 HD2 PRO 21 68.100 -5.906 -5.004 153 2HD PRO 21 HD1 PRO 21 67.649 -7.372 -5.900 154 H CYS 22 HN CYS 22 67.321 -8.589 -0.275 155 HA CYS 22 HA CYS 22 66.985 -5.943 0.780 156 1HB CYS 22 HB2 CYS 22 67.863 -8.567 1.999 157 2HB CYS 22 HB1 CYS 22 67.712 -7.091 2.948 158 H SER 23 HN SER 23 69.774 -7.784 -0.199 159 HA SER 23 HA SER 23 71.730 -6.290 1.320 160 1HB SER 23 HB2 SER 23 71.878 -8.071 -1.110 161 2HB SER 23 HB1 SER 23 73.298 -7.215 -0.517 162 HG SER 23 HG SER 23 72.634 -8.187 1.599 163 H LEU 24 HN LEU 24 69.780 -5.475 -1.330 164 HA LEU 24 HA LEU 24 71.724 -3.425 -2.283 165 1HB LEU 24 HB2 LEU 24 70.046 -5.119 -3.694 166 2HB LEU 24 HB1 LEU 24 69.160 -3.593 -3.695 167 HG LEU 24 HG LEU 24 70.622 -3.614 -5.627 168 1HD1 LEU 24 HD11 LEU 24 70.453 -1.444 -4.622 169 2HD1 LEU 24 HD12 LEU 24 72.158 -1.678 -5.009 170 3HD1 LEU 24 HD13 LEU 24 71.596 -1.874 -3.349 171 1HD2 LEU 24 HD21 LEU 24 73.051 -3.906 -5.391 172 2HD2 LEU 24 HD22 LEU 24 72.209 -5.319 -4.754 173 3HD2 LEU 24 HD23 LEU 24 72.871 -4.114 -3.649 174 H LEU 25 HN LEU 25 70.122 -3.311 0.259 175 HA LEU 25 HA LEU 25 68.774 -0.708 -0.317 176 1HB LEU 25 HB2 LEU 25 67.775 -2.927 1.495 177 2HB LEU 25 HB1 LEU 25 67.077 -1.309 1.422 178 HG LEU 25 HG LEU 25 67.272 -3.268 -0.885 179 1HD1 LEU 25 HD11 LEU 25 64.620 -2.508 -0.443 180 2HD1 LEU 25 HD12 LEU 25 65.275 -2.758 1.175 181 3HD1 LEU 25 HD13 LEU 25 65.344 -4.058 -0.015 182 1HD2 LEU 25 HD21 LEU 25 66.643 -0.365 -0.689 183 2HD2 LEU 25 HD22 LEU 25 65.589 -1.328 -1.725 184 3HD2 LEU 25 HD23 LEU 25 67.325 -1.279 -2.034 185 H GLU 26 HN GLU 26 69.676 0.884 0.892 186 HA GLU 26 HA GLU 26 71.420 0.139 3.161 187 1HB GLU 26 HB2 GLU 26 71.446 2.190 1.206 188 2HB GLU 26 HB1 GLU 26 71.188 2.986 2.759 189 1HG GLU 26 HG2 GLU 26 73.112 1.489 3.624 190 2HG GLU 26 HG1 GLU 26 73.479 1.211 1.921 191 H SER 27 HN SER 27 68.293 1.544 2.541 192 HA SER 27 HA SER 27 67.506 1.329 5.297 193 1HB SER 27 HB2 SER 27 68.993 3.607 4.829 194 2HB SER 27 HB1 SER 27 67.342 4.186 4.621 195 HG SER 27 HG SER 27 67.918 2.505 6.782 196 H TYR 28 HN TYR 28 65.345 2.872 5.498 197 HA TYR 28 HA TYR 28 63.899 3.264 3.023 198 1HB TYR 28 HB2 TYR 28 62.362 1.438 3.115 199 2HB TYR 28 HB1 TYR 28 63.962 0.720 3.291 200 HD1 TYR 28 HD1 TYR 28 60.868 1.684 5.070 201 HD2 TYR 28 HD2 TYR 28 64.680 -0.271 5.382 202 HE1 TYR 28 HE1 TYR 28 60.192 0.715 7.250 203 HE2 TYR 28 HE2 TYR 28 64.004 -1.240 7.562 204 HH TYR 28 HH TYR 28 61.713 -0.168 9.418 205 H PHE 29 HN PHE 29 61.576 3.855 3.502 206 HA PHE 29 HA PHE 29 60.858 4.366 6.287 207 1HB PHE 29 HB2 PHE 29 60.606 6.916 5.656 208 2HB PHE 29 HB1 PHE 29 62.159 6.299 6.222 209 HD1 PHE 29 HD1 PHE 29 63.940 5.689 4.553 210 HD2 PHE 29 HD2 PHE 29 60.332 7.730 3.426 211 HE1 PHE 29 HE1 PHE 29 64.994 6.370 2.414 212 HE2 PHE 29 HE2 PHE 29 61.386 8.411 1.287 213 HZ PHE 29 HZ PHE 29 63.717 7.731 0.781 214 H GLU 30 HN GLU 30 58.744 5.803 6.252 215 HA GLU 30 HA GLU 30 57.064 4.726 4.039 216 1HB GLU 30 HB2 GLU 30 56.348 5.802 6.782 217 2HB GLU 30 HB1 GLU 30 55.159 5.308 5.576 218 1HG GLU 30 HG2 GLU 30 56.840 3.139 5.612 219 2HG GLU 30 HG1 GLU 30 56.885 3.652 7.299 220 H THR 31 HN THR 31 55.640 6.140 2.897 221 HA THR 31 HA THR 31 56.671 8.831 2.526 222 HB THR 31 HB THR 31 54.439 8.945 1.106 223 HG1 THR 31 HG1 THR 31 53.499 7.100 1.926 224 1HG2 THR 31 HG21 THR 31 56.857 7.226 0.522 225 2HG2 THR 31 HG22 THR 31 56.582 8.900 0.041 226 3HG2 THR 31 HG23 THR 31 55.637 7.604 -0.693 227 H ASN 32 HN ASN 32 54.589 10.517 2.284 228 HA ASN 32 HA ASN 32 53.953 11.235 4.971 229 1HB ASN 32 HB2 ASN 32 53.739 12.451 2.493 230 2HB ASN 32 HB1 ASN 32 52.054 12.219 2.961 231 1HD2 ASN 32 HD21 ASN 32 54.293 14.563 3.076 232 2HD2 ASN 32 HD22 ASN 32 53.926 15.287 4.567 233 H SER 33 HN SER 33 52.497 10.288 6.307 234 HA SER 33 HA SER 33 50.754 8.184 5.533 235 1HB SER 33 HB2 SER 33 50.152 8.115 7.748 236 2HB SER 33 HB1 SER 33 51.565 9.153 7.917 237 HG SER 33 HG SER 33 49.645 9.995 8.914 238 H GLU 34 HN GLU 34 50.449 11.570 5.114 239 HA GLU 34 HA GLU 34 47.499 11.474 4.922 240 1HB GLU 34 HB2 GLU 34 49.555 13.674 4.689 241 2HB GLU 34 HB1 GLU 34 47.872 13.932 4.228 242 1HG GLU 34 HG2 GLU 34 47.436 12.813 6.614 243 2HG GLU 34 HG1 GLU 34 49.045 13.462 6.934 244 H CYS 35 HN CYS 35 49.839 10.387 2.982 245 HA CYS 35 HA CYS 35 48.995 11.635 0.460 246 1HB CYS 35 HB2 CYS 35 51.063 9.676 1.317 247 2HB CYS 35 HB1 CYS 35 50.468 9.515 -0.335 248 H SER 36 HN SER 36 47.304 10.913 -0.739 249 HA SER 36 HA SER 36 45.493 8.937 0.054 250 1HB SER 36 HB2 SER 36 44.723 10.318 -1.677 251 2HB SER 36 HB1 SER 36 46.188 10.104 -2.631 252 HG SER 36 HG SER 36 44.560 8.865 -3.531 253 H LYS 37 HN LYS 37 48.469 8.575 -1.814 254 HA LYS 37 HA LYS 37 48.063 5.612 -1.684 255 1HB LYS 37 HB2 LYS 37 49.073 7.375 -3.885 256 2HB LYS 37 HB1 LYS 37 49.764 5.760 -3.720 257 1HG LYS 37 HG2 LYS 37 47.244 5.018 -3.535 258 2HG LYS 37 HG1 LYS 37 46.939 6.553 -4.348 259 1HD LYS 37 HD2 LYS 37 49.088 4.801 -5.457 260 2HD LYS 37 HD1 LYS 37 47.413 4.320 -5.732 261 1HE LYS 37 HE2 LYS 37 48.374 7.129 -6.287 262 2HE LYS 37 HE1 LYS 37 48.474 5.854 -7.501 263 1HZ LYS 37 HZ1 LYS 37 46.391 6.427 -7.989 264 2HZ LYS 37 HZ2 LYS 37 46.183 7.302 -6.548 265 3HZ LYS 37 HZ3 LYS 37 45.946 5.620 -6.566 266 HA PRO 38 HA PRO 38 51.833 6.635 0.705 267 1HB PRO 38 HB2 PRO 38 51.234 4.913 2.764 268 2HB PRO 38 HB1 PRO 38 50.671 6.592 2.697 269 1HG PRO 38 HG2 PRO 38 49.140 4.079 2.211 270 2HG PRO 38 HG1 PRO 38 48.559 5.656 2.771 271 1HD PRO 38 HD2 PRO 38 48.314 4.640 0.142 272 2HD PRO 38 HD1 PRO 38 48.050 6.326 0.638 273 H GLY 39 HN GLY 39 53.534 4.996 1.505 274 1HA GLY 39 HA2 GLY 39 53.428 2.256 0.834 275 2HA GLY 39 HA1 GLY 39 54.155 3.130 -0.510 276 H VAL 40 HN VAL 40 55.978 1.574 0.345 277 HA VAL 40 HA VAL 40 57.497 2.979 2.504 278 HB VAL 40 HB VAL 40 57.841 0.145 1.477 279 1HG1 VAL 40 HG11 VAL 40 58.866 0.986 4.124 280 2HG1 VAL 40 HG12 VAL 40 59.691 1.702 2.739 281 3HG1 VAL 40 HG13 VAL 40 59.609 -0.051 2.906 282 1HG2 VAL 40 HG21 VAL 40 55.851 -0.033 2.647 283 2HG2 VAL 40 HG22 VAL 40 56.206 1.360 3.669 284 3HG2 VAL 40 HG23 VAL 40 56.989 -0.188 3.986 285 H ILE 41 HN ILE 41 59.285 4.076 1.857 286 HA ILE 41 HA ILE 41 60.209 3.753 -0.934 287 HB ILE 41 HB ILE 41 61.113 5.710 1.201 288 1HG1 ILE 41 HG12 ILE 41 58.712 5.950 0.651 289 2HG1 ILE 41 HG11 ILE 41 59.644 7.313 0.031 290 1HG2 ILE 41 HG21 ILE 41 61.351 6.468 -1.612 291 2HG2 ILE 41 HG22 ILE 41 62.295 5.030 -1.225 292 3HG2 ILE 41 HG23 ILE 41 62.561 6.526 -0.331 293 1HD1 ILE 41 HD11 ILE 41 59.800 5.594 -2.079 294 2HD1 ILE 41 HD12 ILE 41 58.567 6.846 -1.923 295 3HD1 ILE 41 HD13 ILE 41 58.207 5.188 -1.441 296 H PHE 42 HN PHE 42 62.095 2.724 -1.462 297 HA PHE 42 HA PHE 42 63.767 1.730 0.805 298 1HB PHE 42 HB2 PHE 42 63.014 0.612 -1.861 299 2HB PHE 42 HB1 PHE 42 64.607 0.206 -1.222 300 HD1 PHE 42 HD1 PHE 42 61.465 -1.078 -1.453 301 HD2 PHE 42 HD2 PHE 42 64.364 -0.120 1.568 302 HE1 PHE 42 HE1 PHE 42 60.436 -2.748 0.064 303 HE2 PHE 42 HE2 PHE 42 63.335 -1.790 3.085 304 HZ PHE 42 HZ PHE 42 61.371 -3.104 2.333 305 H LEU 43 HN LEU 43 65.869 2.402 0.931 306 HA LEU 43 HA LEU 43 66.882 4.121 -1.286 307 1HB LEU 43 HB2 LEU 43 66.672 4.909 1.195 308 2HB LEU 43 HB1 LEU 43 68.111 3.925 1.455 309 HG LEU 43 HG LEU 43 68.803 6.207 0.967 310 1HD1 LEU 43 HD11 LEU 43 69.260 4.782 -1.638 311 2HD1 LEU 43 HD12 LEU 43 69.917 4.102 -0.149 312 3HD1 LEU 43 HD13 LEU 43 70.396 5.719 -0.667 313 1HD2 LEU 43 HD21 LEU 43 67.390 7.437 -0.298 314 2HD2 LEU 43 HD22 LEU 43 66.629 5.993 -0.969 315 3HD2 LEU 43 HD23 LEU 43 68.099 6.637 -1.701 316 H THR 44 HN THR 44 68.511 3.303 -2.525 317 HA THR 44 HA THR 44 69.870 0.827 -1.583 318 HB THR 44 HB THR 44 70.410 0.412 -3.887 319 HG1 THR 44 HG1 THR 44 70.097 1.977 -5.451 320 1HG2 THR 44 HG21 THR 44 67.648 1.646 -3.906 321 2HG2 THR 44 HG22 THR 44 68.007 0.095 -3.148 322 3HG2 THR 44 HG23 THR 44 68.229 0.300 -4.886 323 H LYS 45 HN LYS 45 72.260 0.690 -2.246 324 HA LYS 45 HA LYS 45 73.660 2.962 -1.111 325 1HB LYS 45 HB2 LYS 45 74.526 0.695 -0.800 326 2HB LYS 45 HB1 LYS 45 74.698 0.496 -2.544 327 1HG LYS 45 HG2 LYS 45 76.360 2.273 -2.631 328 2HG LYS 45 HG1 LYS 45 76.124 2.621 -0.918 329 1HD LYS 45 HD2 LYS 45 77.997 1.253 -0.817 330 2HD LYS 45 HD1 LYS 45 76.714 0.054 -0.647 331 1HE LYS 45 HE2 LYS 45 77.040 0.416 -3.421 332 2HE LYS 45 HE1 LYS 45 78.673 0.333 -2.761 333 1HZ LYS 45 HZ1 LYS 45 78.394 -1.787 -2.078 334 2HZ LYS 45 HZ2 LYS 45 77.264 -1.816 -3.345 335 3HZ LYS 45 HZ3 LYS 45 76.743 -1.596 -1.743 336 H LYS 46 HN LYS 46 72.364 2.472 -4.144 337 HA LYS 46 HA LYS 46 74.512 3.960 -5.556 338 1HB LYS 46 HB2 LYS 46 72.919 1.883 -6.385 339 2HB LYS 46 HB1 LYS 46 72.053 3.275 -7.037 340 1HG LYS 46 HG2 LYS 46 73.652 2.589 -8.704 341 2HG LYS 46 HG1 LYS 46 74.256 4.083 -7.986 342 1HD LYS 46 HD2 LYS 46 75.284 2.080 -6.339 343 2HD LYS 46 HD1 LYS 46 75.440 1.418 -7.967 344 1HE LYS 46 HE2 LYS 46 76.181 4.243 -7.839 345 2HE LYS 46 HE1 LYS 46 77.176 3.239 -6.785 346 1HZ LYS 46 HZ1 LYS 46 76.886 3.160 -9.700 347 2HZ LYS 46 HZ2 LYS 46 77.210 1.706 -8.884 348 3HZ LYS 46 HZ3 LYS 46 78.283 3.016 -8.750 349 H GLY 47 HN GLY 47 72.630 5.104 -3.485 350 1HA GLY 47 HA2 GLY 47 71.416 7.076 -3.172 351 2HA GLY 47 HA1 GLY 47 72.213 7.640 -4.638 352 H ARG 48 HN ARG 48 70.143 4.802 -4.526 353 HA ARG 48 HA ARG 48 68.209 6.267 -6.277 354 1HB ARG 48 HB2 ARG 48 69.620 3.950 -6.825 355 2HB ARG 48 HB1 ARG 48 68.055 3.336 -6.290 356 1HG ARG 48 HG2 ARG 48 67.614 3.679 -8.541 357 2HG ARG 48 HG1 ARG 48 67.131 5.243 -7.884 358 1HD ARG 48 HD2 ARG 48 69.139 6.284 -8.576 359 2HD ARG 48 HD1 ARG 48 69.958 4.740 -8.811 360 HE ARG 48 HE ARG 48 69.190 4.925 -11.025 361 1HH1 ARG 48 HH21 ARG 48 66.532 3.869 -10.427 362 2HH1 ARG 48 HH22 ARG 48 65.470 5.149 -10.907 363 1HH2 ARG 48 HH11 ARG 48 67.962 7.560 -10.945 364 2HH2 ARG 48 HH12 ARG 48 66.280 7.239 -11.202 365 H ARG 49 HN ARG 49 66.127 6.425 -5.557 366 HA ARG 49 HA ARG 49 65.323 4.678 -3.266 367 1HB ARG 49 HB2 ARG 49 63.957 6.666 -2.479 368 2HB ARG 49 HB1 ARG 49 65.704 6.870 -2.343 369 1HG ARG 49 HG2 ARG 49 65.753 8.530 -3.891 370 2HG ARG 49 HG1 ARG 49 64.600 7.705 -4.943 371 1HD ARG 49 HD2 ARG 49 62.840 8.848 -4.090 372 2HD ARG 49 HD1 ARG 49 63.404 8.641 -2.432 373 HE ARG 49 HE ARG 49 64.099 10.889 -4.228 374 1HH1 ARG 49 HH21 ARG 49 65.550 9.101 -1.777 375 2HH1 ARG 49 HH22 ARG 49 65.835 10.448 -0.725 376 1HH2 ARG 49 HH11 ARG 49 64.014 12.680 -2.655 377 2HH2 ARG 49 HH12 ARG 49 64.966 12.474 -1.223 378 H PHE 50 HN PHE 50 63.378 3.660 -3.559 379 HA PHE 50 HA PHE 50 61.510 4.742 -5.610 380 1HB PHE 50 HB2 PHE 50 61.198 2.198 -6.235 381 2HB PHE 50 HB1 PHE 50 62.511 3.126 -6.959 382 HD1 PHE 50 HD1 PHE 50 64.816 2.718 -6.376 383 HD2 PHE 50 HD2 PHE 50 61.647 0.639 -4.356 384 HE1 PHE 50 HE1 PHE 50 66.471 1.162 -5.382 385 HE2 PHE 50 HE2 PHE 50 63.302 -0.917 -3.361 386 HZ PHE 50 HZ PHE 50 65.714 -0.656 -3.874 387 H CYS 51 HN CYS 51 59.317 3.774 -5.390 388 HA CYS 51 HA CYS 51 58.614 3.476 -2.574 389 1HB CYS 51 HB2 CYS 51 57.081 3.570 -5.166 390 2HB CYS 51 HB1 CYS 51 56.281 3.097 -3.670 391 H ALA 52 HN ALA 52 57.243 1.607 -1.848 392 HA ALA 52 HA ALA 52 57.692 -0.897 -3.380 393 1HB ALA 52 HB1 ALA 52 58.761 -0.262 -0.646 394 2HB ALA 52 HB2 ALA 52 59.539 -1.125 -1.973 395 3HB ALA 52 HB3 ALA 52 58.283 -1.917 -1.022 396 H ASN 53 HN ASN 53 56.165 -2.554 -2.833 397 HA ASN 53 HA ASN 53 53.660 -1.500 -1.741 398 1HB ASN 53 HB2 ASN 53 53.879 -3.085 -3.745 399 2HB ASN 53 HB1 ASN 53 54.200 -4.356 -2.564 400 1HD2 ASN 53 HD21 ASN 53 51.736 -3.494 -4.393 401 2HD2 ASN 53 HD22 ASN 53 50.428 -3.660 -3.324 402 HA PRO 54 HA PRO 54 54.671 -3.050 2.314 403 1HB PRO 54 HB2 PRO 54 52.317 -2.251 3.493 404 2HB PRO 54 HB1 PRO 54 53.673 -1.157 3.170 405 1HG PRO 54 HG2 PRO 54 51.073 -1.402 1.725 406 2HG PRO 54 HG1 PRO 54 52.134 0.006 1.896 407 1HD PRO 54 HD2 PRO 54 51.948 -1.641 -0.388 408 2HD PRO 54 HD1 PRO 54 53.247 -0.476 -0.052 409 H SER 55 HN SER 55 52.349 -4.169 0.149 410 HA SER 55 HA SER 55 51.165 -6.142 2.005 411 1HB SER 55 HB2 SER 55 50.677 -5.359 -0.858 412 2HB SER 55 HB1 SER 55 50.075 -6.898 -0.252 413 HG SER 55 HG SER 55 49.001 -4.518 0.042 414 H ASP 56 HN ASP 56 53.949 -5.860 0.145 415 HA ASP 56 HA ASP 56 54.101 -8.625 -0.782 416 1HB ASP 56 HB2 ASP 56 55.317 -6.763 -1.910 417 2HB ASP 56 HB1 ASP 56 56.311 -6.571 -0.465 418 H LYS 57 HN LYS 57 54.600 -10.324 0.508 419 HA LYS 57 HA LYS 57 55.165 -10.103 3.277 420 1HB LYS 57 HB2 LYS 57 55.319 -12.278 1.243 421 2HB LYS 57 HB1 LYS 57 56.187 -12.533 2.758 422 1HG LYS 57 HG2 LYS 57 54.263 -12.968 3.838 423 2HG LYS 57 HG1 LYS 57 53.584 -11.426 3.314 424 1HD LYS 57 HD2 LYS 57 53.139 -12.555 1.059 425 2HD LYS 57 HD1 LYS 57 53.494 -14.080 1.871 426 1HE LYS 57 HE2 LYS 57 51.738 -13.520 3.571 427 2HE LYS 57 HE1 LYS 57 51.324 -12.099 2.613 428 1HZ LYS 57 HZ1 LYS 57 51.338 -14.844 1.500 429 2HZ LYS 57 HZ2 LYS 57 50.673 -13.442 0.807 430 3HZ LYS 57 HZ3 LYS 57 49.955 -14.137 2.182 431 H GLN 58 HN GLN 58 57.284 -10.010 0.494 432 HA GLN 58 HA GLN 58 59.723 -10.436 2.042 433 1HB GLN 58 HB2 GLN 58 59.547 -9.147 -0.686 434 2HB GLN 58 HB1 GLN 58 60.884 -10.073 -0.002 435 1HG GLN 58 HG2 GLN 58 58.176 -11.119 -0.863 436 2HG GLN 58 HG1 GLN 58 59.751 -11.527 -1.546 437 1HE2 GLN 58 HE21 GLN 58 57.465 -12.353 0.925 438 2HE2 GLN 58 HE22 GLN 58 58.416 -13.519 1.711 439 H VAL 59 HN VAL 59 57.687 -7.740 1.258 440 HA VAL 59 HA VAL 59 59.737 -5.713 1.744 441 HB VAL 59 HB VAL 59 56.727 -5.601 1.443 442 1HG1 VAL 59 HG11 VAL 59 58.599 -3.626 2.551 443 2HG1 VAL 59 HG12 VAL 59 56.836 -3.661 2.611 444 3HG1 VAL 59 HG13 VAL 59 57.657 -3.012 1.192 445 1HG2 VAL 59 HG21 VAL 59 58.128 -6.021 -0.582 446 2HG2 VAL 59 HG22 VAL 59 58.998 -4.521 -0.258 447 3HG2 VAL 59 HG23 VAL 59 57.280 -4.476 -0.658 448 H GLN 60 HN GLN 60 57.075 -7.183 3.582 449 HA GLN 60 HA GLN 60 57.507 -5.482 5.906 450 1HB GLN 60 HB2 GLN 60 56.059 -8.142 5.765 451 2HB GLN 60 HB1 GLN 60 55.871 -6.896 7.000 452 1HG GLN 60 HG2 GLN 60 55.413 -6.154 4.134 453 2HG GLN 60 HG1 GLN 60 54.158 -7.053 4.986 454 1HE2 GLN 60 HE21 GLN 60 56.205 -4.110 5.349 455 2HE2 GLN 60 HE22 GLN 60 55.050 -3.235 6.233 456 H VAL 61 HN VAL 61 58.661 -8.623 4.815 457 HA VAL 61 HA VAL 61 59.808 -9.365 7.382 458 HB VAL 61 HB VAL 61 60.328 -10.383 4.573 459 1HG1 VAL 61 HG11 VAL 61 62.225 -10.725 6.216 460 2HG1 VAL 61 HG12 VAL 61 61.520 -12.215 5.590 461 3HG1 VAL 61 HG13 VAL 61 61.105 -11.657 7.211 462 1HG2 VAL 61 HG21 VAL 61 59.035 -12.117 6.562 463 2HG2 VAL 61 HG22 VAL 61 58.566 -11.778 4.896 464 3HG2 VAL 61 HG23 VAL 61 58.097 -10.671 6.186 465 H CYS 62 HN CYS 62 60.958 -7.691 4.491 466 HA CYS 62 HA CYS 62 63.732 -7.641 5.419 467 1HB CYS 62 HB2 CYS 62 62.870 -7.520 2.971 468 2HB CYS 62 HB1 CYS 62 62.580 -5.815 3.315 469 H MET 63 HN MET 63 60.926 -5.513 5.554 470 HA MET 63 HA MET 63 62.180 -3.091 6.282 471 1HB MET 63 HB2 MET 63 60.073 -2.427 7.202 472 2HB MET 63 HB1 MET 63 59.696 -3.500 5.854 473 1HG MET 63 HG2 MET 63 58.448 -4.676 7.330 474 2HG MET 63 HG1 MET 63 59.980 -5.246 7.993 475 1HE MET 63 HE1 MET 63 57.501 -4.720 10.721 476 2HE MET 63 HE2 MET 63 59.172 -5.156 11.066 477 3HE MET 63 HE3 MET 63 58.383 -5.791 9.624 478 H ARG 64 HN ARG 64 61.777 -6.040 8.096 479 HA ARG 64 HA ARG 64 62.399 -4.759 10.668 480 1HB ARG 64 HB2 ARG 64 60.928 -6.660 10.765 481 2HB ARG 64 HB1 ARG 64 62.047 -7.646 9.822 482 1HG ARG 64 HG2 ARG 64 63.685 -7.596 11.618 483 2HG ARG 64 HG1 ARG 64 62.685 -6.478 12.546 484 1HD ARG 64 HD2 ARG 64 61.678 -9.195 11.687 485 2HD ARG 64 HD1 ARG 64 62.535 -8.950 13.209 486 HE ARG 64 HE ARG 64 60.519 -7.029 13.224 487 1HH1 ARG 64 HH11 ARG 64 60.781 -9.508 15.037 488 2HH1 ARG 64 HH12 ARG 64 59.229 -10.239 14.800 489 1HH2 ARG 64 HH21 ARG 64 58.486 -8.372 11.974 490 2HH2 ARG 64 HH22 ARG 64 57.929 -9.596 13.066 491 H MET 65 HN MET 65 64.037 -6.892 8.328 492 HA MET 65 HA MET 65 66.461 -7.188 9.815 493 1HB MET 65 HB2 MET 65 66.079 -8.659 7.958 494 2HB MET 65 HB1 MET 65 65.880 -7.304 6.846 495 1HG MET 65 HG2 MET 65 68.139 -8.434 6.721 496 2HG MET 65 HG1 MET 65 68.205 -6.702 7.043 497 1HE MET 65 HE1 MET 65 70.522 -7.651 7.332 498 2HE MET 65 HE2 MET 65 71.206 -8.032 8.910 499 3HE MET 65 HE3 MET 65 70.582 -6.414 8.596 500 H LEU 66 HN LEU 66 65.765 -4.998 7.059 501 HA LEU 66 HA LEU 66 68.104 -3.526 6.991 502 1HB LEU 66 HB2 LEU 66 65.292 -2.394 6.836 503 2HB LEU 66 HB1 LEU 66 66.750 -1.600 6.238 504 HG LEU 66 HG LEU 66 66.267 -4.380 5.293 505 1HD1 LEU 66 HD11 LEU 66 64.325 -2.214 4.973 506 2HD1 LEU 66 HD12 LEU 66 64.165 -3.928 4.589 507 3HD1 LEU 66 HD13 LEU 66 64.911 -2.829 3.428 508 1HD2 LEU 66 HD21 LEU 66 67.907 -2.159 4.651 509 2HD2 LEU 66 HD22 LEU 66 66.807 -2.375 3.288 510 3HD2 LEU 66 HD23 LEU 66 67.832 -3.711 3.815 511 H LYS 67 HN LYS 67 65.354 -2.938 9.201 512 HA LYS 67 HA LYS 67 66.392 -0.717 10.578 513 1HB LYS 67 HB2 LYS 67 64.108 -1.784 10.889 514 2HB LYS 67 HB1 LYS 67 64.896 -2.996 11.898 515 1HG LYS 67 HG2 LYS 67 65.242 -1.534 13.622 516 2HG LYS 67 HG1 LYS 67 65.534 -0.171 12.541 517 1HD LYS 67 HD2 LYS 67 62.823 -0.968 12.186 518 2HD LYS 67 HD1 LYS 67 63.116 -0.853 13.921 519 1HE LYS 67 HE2 LYS 67 64.113 1.324 12.108 520 2HE LYS 67 HE1 LYS 67 62.416 1.299 12.585 521 1HZ LYS 67 HZ1 LYS 67 63.103 1.245 14.900 522 2HZ LYS 67 HZ2 LYS 67 63.740 2.611 14.116 523 3HZ LYS 67 HZ3 LYS 67 64.736 1.273 14.439 524 H LEU 68 HN LEU 68 67.255 -0.817 12.917 525 HA LEU 68 HA LEU 68 69.647 -2.530 12.899 526 1HB LEU 68 HB2 LEU 68 70.242 -1.244 14.958 527 2HB LEU 68 HB1 LEU 68 69.905 -0.199 13.578 528 HG LEU 68 HG LEU 68 67.496 -0.833 15.110 529 1HD1 LEU 68 HD11 LEU 68 68.693 -0.804 17.110 530 2HD1 LEU 68 HD12 LEU 68 68.313 0.907 16.915 531 3HD1 LEU 68 HD13 LEU 68 69.912 0.305 16.481 532 1HD2 LEU 68 HD21 LEU 68 66.942 1.236 14.360 533 2HD2 LEU 68 HD22 LEU 68 68.415 1.137 13.395 534 3HD2 LEU 68 HD23 LEU 68 68.440 1.944 14.963 535 H ASP 69 HN ASP 69 68.292 -4.543 13.132 536 HA ASP 69 HA ASP 69 66.833 -5.000 15.587 537 1HB ASP 69 HB2 ASP 69 66.923 -7.395 14.836 538 2HB ASP 69 HB1 ASP 69 66.289 -6.299 13.613 539 H THR 70 HN THR 70 70.174 -5.278 14.618 540 HA THR 70 HA THR 70 71.246 -7.160 16.344 541 HB THR 70 HB THR 70 72.373 -4.379 15.891 542 HG1 THR 70 HG1 THR 70 73.556 -5.697 14.250 543 1HG2 THR 70 HG21 THR 70 73.332 -6.011 17.700 544 2HG2 THR 70 HG22 THR 70 74.441 -5.221 16.580 545 3HG2 THR 70 HG23 THR 70 73.959 -6.896 16.309 546 H ARG 71 HN ARG 71 71.079 -7.458 18.508 547 HA ARG 71 HA ARG 71 71.329 -5.291 20.405 548 1HB ARG 71 HB2 ARG 71 68.881 -5.206 19.443 549 2HB ARG 71 HB1 ARG 71 68.622 -6.591 20.503 550 1HG ARG 71 HG2 ARG 71 69.009 -5.356 22.440 551 2HG ARG 71 HG1 ARG 71 69.980 -4.149 21.596 552 1HD ARG 71 HD2 ARG 71 68.167 -2.857 21.274 553 2HD ARG 71 HD1 ARG 71 67.326 -4.188 20.479 554 HE ARG 71 HE ARG 71 66.898 -3.309 23.204 555 1HH1 ARG 71 HH21 ARG 71 64.876 -4.680 21.427 556 2HH1 ARG 71 HH22 ARG 71 64.701 -6.213 22.215 557 1HH2 ARG 71 HH11 ARG 71 67.595 -5.876 24.095 558 2HH2 ARG 71 HH12 ARG 71 66.240 -6.890 23.725 559 H ILE 72 HN ILE 72 69.770 -8.502 20.073 560 HA ILE 72 HA ILE 72 71.480 -9.410 22.352 561 HB ILE 72 HB ILE 72 69.493 -10.960 22.887 562 1HG1 ILE 72 HG12 ILE 72 67.762 -8.871 21.646 563 2HG1 ILE 72 HG11 ILE 72 68.464 -10.076 20.566 564 1HG2 ILE 72 HG21 ILE 72 69.929 -8.126 23.480 565 2HG2 ILE 72 HG22 ILE 72 69.528 -9.451 24.573 566 3HG2 ILE 72 HG23 ILE 72 68.248 -8.614 23.695 567 1HD1 ILE 72 HD11 ILE 72 66.421 -10.405 22.695 568 2HD1 ILE 72 HD12 ILE 72 67.622 -11.691 22.569 569 3HD1 ILE 72 HD13 ILE 72 66.618 -11.283 21.178 570 H LYS 73 HN LYS 73 72.689 -9.932 20.158 571 HA LYS 73 HA LYS 73 73.445 -11.598 18.688 572 1HB LYS 73 HB2 LYS 73 73.663 -12.932 20.711 573 2HB LYS 73 HB1 LYS 73 71.942 -13.318 20.683 574 1HG LYS 73 HG2 LYS 73 72.155 -14.785 18.904 575 2HG LYS 73 HG1 LYS 73 73.580 -13.965 18.263 576 1HD LYS 73 HD2 LYS 73 74.050 -15.037 20.936 577 2HD LYS 73 HD1 LYS 73 73.584 -16.296 19.792 578 1HE LYS 73 HE2 LYS 73 75.497 -14.375 18.672 579 2HE LYS 73 HE1 LYS 73 76.132 -15.255 20.062 580 1HZ LYS 73 HZ1 LYS 73 76.309 -17.086 18.853 581 2HZ LYS 73 HZ2 LYS 73 75.912 -16.174 17.475 582 3HZ LYS 73 HZ3 LYS 73 74.696 -16.988 18.337 583 H THR 74 HN THR 74 71.552 -10.348 17.425 584 HA THR 74 HA THR 74 69.221 -12.023 16.842 585 HB THR 74 HB THR 74 69.558 -10.014 14.853 586 HG1 THR 74 HG1 THR 74 69.581 -8.293 16.642 587 1HG2 THR 74 HG21 THR 74 67.378 -10.473 15.529 588 2HG2 THR 74 HG22 THR 74 67.691 -8.959 16.378 589 3HG2 THR 74 HG23 THR 74 67.806 -10.494 17.240 590 H ARG 75 HN ARG 75 68.775 -12.798 14.614 591 HA ARG 75 HA ARG 75 70.755 -14.467 13.563 592 1HB ARG 75 HB2 ARG 75 68.440 -13.130 12.133 593 2HB ARG 75 HB1 ARG 75 69.401 -14.438 11.443 594 1HG ARG 75 HG2 ARG 75 68.719 -15.355 13.994 595 2HG ARG 75 HG1 ARG 75 67.252 -14.573 13.402 596 1HD ARG 75 HD2 ARG 75 68.683 -16.288 11.448 597 2HD ARG 75 HD1 ARG 75 67.912 -17.130 12.792 598 HE ARG 75 HE ARG 75 66.184 -15.165 11.478 599 1HH1 ARG 75 HH21 ARG 75 67.367 -17.506 9.705 600 2HH1 ARG 75 HH22 ARG 75 66.003 -18.574 9.719 601 1HH2 ARG 75 HH11 ARG 75 64.404 -16.925 12.318 602 2HH2 ARG 75 HH12 ARG 75 64.326 -18.245 11.199 603 H LYS 76 HN LYS 76 71.734 -14.222 11.272 604 HA LYS 76 HA LYS 76 72.363 -11.475 10.459 605 1HB LYS 76 HB2 LYS 76 74.130 -12.976 12.214 606 2HB LYS 76 HB1 LYS 76 74.925 -12.596 10.686 607 1HG LYS 76 HG2 LYS 76 73.363 -10.359 11.775 608 2HG LYS 76 HG1 LYS 76 74.693 -10.862 12.820 609 1HD LYS 76 HD2 LYS 76 76.283 -10.629 10.994 610 2HD LYS 76 HD1 LYS 76 74.980 -10.272 9.861 611 1HE LYS 76 HE2 LYS 76 74.825 -8.112 10.539 612 2HE LYS 76 HE1 LYS 76 74.988 -8.543 12.242 613 1HZ LYS 76 HZ1 LYS 76 77.385 -8.949 10.702 614 2HZ LYS 76 HZ2 LYS 76 77.173 -8.176 12.200 615 3HZ LYS 76 HZ3 LYS 76 76.887 -7.328 10.756 616 H ASN 77 HN ASN 77 73.413 -14.885 10.153 617 HA ASN 77 HA ASN 77 72.695 -15.019 7.374 618 1HB ASN 77 HB2 ASN 77 74.939 -13.555 7.622 619 2HB ASN 77 HB1 ASN 77 75.661 -15.164 7.619 620 1HD2 ASN 77 HD21 ASN 77 75.520 -16.429 5.658 621 2HD2 ASN 77 HD22 ASN 77 74.964 -15.767 4.196 Start of MODEL 12 1 1H MET 1 HT1 MET 1 71.118 -20.266 -21.699 2 2H MET 1 HT2 MET 1 71.927 -20.144 -20.209 3 3H MET 1 HT3 MET 1 70.638 -19.096 -20.568 4 HA MET 1 HA MET 1 69.143 -21.058 -20.675 5 1HB MET 1 HB2 MET 1 71.757 -22.332 -20.025 6 2HB MET 1 HB1 MET 1 70.334 -22.969 -19.200 7 1HG MET 1 HG2 MET 1 69.513 -22.638 -21.855 8 2HG MET 1 HG1 MET 1 71.146 -23.293 -21.975 9 1HE MET 1 HE1 MET 1 68.277 -23.974 -22.647 10 2HE MET 1 HE2 MET 1 67.424 -25.173 -21.677 11 3HE MET 1 HE3 MET 1 68.621 -25.696 -22.860 12 H ASP 2 HN ASP 2 71.480 -21.217 -17.982 13 HA ASP 2 HA ASP 2 69.295 -20.318 -16.173 14 1HB ASP 2 HB2 ASP 2 71.987 -21.308 -15.255 15 2HB ASP 2 HB1 ASP 2 70.431 -21.404 -14.428 16 H ARG 3 HN ARG 3 69.494 -18.051 -16.787 17 HA ARG 3 HA ARG 3 72.050 -16.747 -15.988 18 1HB ARG 3 HB2 ARG 3 69.692 -15.367 -17.271 19 2HB ARG 3 HB1 ARG 3 71.391 -14.890 -17.296 20 1HG ARG 3 HG2 ARG 3 71.668 -17.268 -18.468 21 2HG ARG 3 HG1 ARG 3 69.984 -16.980 -18.905 22 1HD ARG 3 HD2 ARG 3 71.760 -14.654 -19.285 23 2HD ARG 3 HD1 ARG 3 72.123 -16.031 -20.326 24 HE ARG 3 HE ARG 3 69.799 -14.316 -20.543 25 1HH1 ARG 3 HH21 ARG 3 71.289 -16.099 -22.618 26 2HH1 ARG 3 HH22 ARG 3 70.004 -17.170 -23.068 27 1HH2 ARG 3 HH11 ARG 3 67.993 -16.315 -20.376 28 2HH2 ARG 3 HH12 ARG 3 68.138 -17.293 -21.798 29 H PHE 4 HN PHE 4 69.582 -17.771 -14.312 30 HA PHE 4 HA PHE 4 69.103 -15.207 -12.854 31 1HB PHE 4 HB2 PHE 4 67.271 -16.727 -11.737 32 2HB PHE 4 HB1 PHE 4 66.985 -16.063 -13.346 33 HD1 PHE 4 HD1 PHE 4 67.688 -19.090 -11.405 34 HD2 PHE 4 HD2 PHE 4 67.231 -17.474 -15.359 35 HE1 PHE 4 HE1 PHE 4 67.480 -21.386 -12.319 36 HE2 PHE 4 HE2 PHE 4 67.023 -19.770 -16.273 37 HZ PHE 4 HZ PHE 4 67.147 -21.726 -14.753 38 H HIS 5 HN HIS 5 71.397 -17.304 -12.719 39 HA HIS 5 HA HIS 5 71.290 -17.595 -9.744 40 1HB HIS 5 HB2 HIS 5 71.564 -19.648 -11.758 41 2HB HIS 5 HB1 HIS 5 73.020 -19.583 -10.765 42 HD1 HIS 5 HD1 HIS 5 72.715 -21.414 -9.080 43 HD2 HIS 5 HD2 HIS 5 69.262 -19.121 -9.519 44 HE1 HIS 5 HE1 HIS 5 71.082 -22.235 -7.326 45 H ALA 6 HN ALA 6 72.999 -16.637 -8.741 46 HA ALA 6 HA ALA 6 75.579 -16.393 -10.175 47 1HB ALA 6 HB1 ALA 6 74.690 -14.309 -10.822 48 2HB ALA 6 HB2 ALA 6 75.614 -13.920 -9.371 49 3HB ALA 6 HB3 ALA 6 73.860 -14.083 -9.282 50 H THR 7 HN THR 7 74.452 -14.587 -7.341 51 HA THR 7 HA THR 7 76.028 -16.410 -5.592 52 HB THR 7 HB THR 7 77.628 -14.702 -5.993 53 HG1 THR 7 HG1 THR 7 77.894 -14.335 -3.959 54 1HG2 THR 7 HG21 THR 7 76.442 -13.044 -7.166 55 2HG2 THR 7 HG22 THR 7 76.868 -12.243 -5.654 56 3HG2 THR 7 HG23 THR 7 75.238 -12.874 -5.889 57 H SER 8 HN SER 8 75.721 -15.306 -3.186 58 HA SER 8 HA SER 8 72.759 -15.118 -2.895 59 1HB SER 8 HB2 SER 8 73.468 -15.536 -0.398 60 2HB SER 8 HB1 SER 8 73.468 -16.880 -1.536 61 HG SER 8 HG SER 8 75.478 -17.044 -0.912 62 H ALA 9 HN ALA 9 74.052 -12.785 -3.752 63 HA ALA 9 HA ALA 9 74.410 -11.118 -1.324 64 1HB ALA 9 HB1 ALA 9 75.145 -10.894 -4.191 65 2HB ALA 9 HB2 ALA 9 76.034 -10.380 -2.757 66 3HB ALA 9 HB3 ALA 9 74.720 -9.384 -3.385 67 H ASP 10 HN ASP 10 73.273 -8.936 -1.363 68 HA ASP 10 HA ASP 10 70.822 -8.712 -2.924 69 1HB ASP 10 HB2 ASP 10 70.579 -10.326 -0.732 70 2HB ASP 10 HB1 ASP 10 70.180 -8.754 -0.039 71 H CYS 11 HN CYS 11 73.254 -7.149 -2.199 72 HA CYS 11 HA CYS 11 72.352 -5.001 -0.441 73 1HB CYS 11 HB2 CYS 11 74.648 -4.830 -2.395 74 2HB CYS 11 HB1 CYS 11 74.465 -4.006 -0.847 75 H CYS 12 HN CYS 12 72.914 -2.665 -1.657 76 HA CYS 12 HA CYS 12 70.886 -2.566 -3.836 77 1HB CYS 12 HB2 CYS 12 71.909 -0.585 -1.822 78 2HB CYS 12 HB1 CYS 12 71.189 0.000 -3.321 79 H ILE 13 HN ILE 13 71.621 -2.343 -5.890 80 HA ILE 13 HA ILE 13 74.344 -1.161 -6.271 81 HB ILE 13 HB ILE 13 72.901 -3.326 -7.821 82 1HG1 ILE 13 HG12 ILE 13 75.539 -3.211 -6.323 83 2HG1 ILE 13 HG11 ILE 13 74.093 -4.090 -5.825 84 1HG2 ILE 13 HG21 ILE 13 75.069 -1.457 -8.611 85 2HG2 ILE 13 HG22 ILE 13 73.910 -2.326 -9.617 86 3HG2 ILE 13 HG23 ILE 13 75.337 -3.157 -8.996 87 1HD1 ILE 13 HD11 ILE 13 75.636 -4.606 -8.384 88 2HD1 ILE 13 HD12 ILE 13 74.239 -5.515 -7.809 89 3HD1 ILE 13 HD13 ILE 13 75.759 -5.578 -6.918 90 H SER 14 HN SER 14 70.987 -1.139 -7.238 91 HA SER 14 HA SER 14 71.531 1.327 -8.809 92 1HB SER 14 HB2 SER 14 71.327 -0.023 -10.667 93 2HB SER 14 HB1 SER 14 70.358 -1.224 -9.818 94 HG SER 14 HG SER 14 69.423 0.461 -11.455 95 H TYR 15 HN TYR 15 69.718 2.765 -8.870 96 HA TYR 15 HA TYR 15 67.600 2.080 -6.873 97 1HB TYR 15 HB2 TYR 15 68.502 4.833 -7.766 98 2HB TYR 15 HB1 TYR 15 67.397 4.460 -6.442 99 HD1 TYR 15 HD1 TYR 15 68.210 3.535 -4.336 100 HD2 TYR 15 HD2 TYR 15 70.905 4.390 -7.569 101 HE1 TYR 15 HE1 TYR 15 70.136 3.304 -2.791 102 HE2 TYR 15 HE2 TYR 15 72.832 4.159 -6.025 103 HH TYR 15 HH TYR 15 72.646 2.710 -3.062 104 H THR 16 HN THR 16 65.416 2.828 -7.370 105 HA THR 16 HA THR 16 64.663 2.358 -10.098 106 HB THR 16 HB THR 16 63.110 1.886 -8.279 107 HG1 THR 16 HG1 THR 16 61.325 2.850 -9.182 108 1HG2 THR 16 HG21 THR 16 62.516 4.737 -7.751 109 2HG2 THR 16 HG22 THR 16 64.060 4.157 -7.127 110 3HG2 THR 16 HG23 THR 16 62.560 3.369 -6.638 111 HA PRO 17 HA PRO 17 65.450 6.527 -11.479 112 1HB PRO 17 HB2 PRO 17 64.753 6.061 -14.097 113 2HB PRO 17 HB1 PRO 17 66.319 5.602 -13.405 114 1HG PRO 17 HG2 PRO 17 63.997 3.868 -14.104 115 2HG PRO 17 HG1 PRO 17 65.717 3.457 -14.013 116 1HD PRO 17 HD2 PRO 17 63.759 2.859 -12.055 117 2HD PRO 17 HD1 PRO 17 65.519 2.742 -11.845 118 H ARG 18 HN ARG 18 63.135 6.433 -10.062 119 HA ARG 18 HA ARG 18 61.344 8.119 -11.639 120 1HB ARG 18 HB2 ARG 18 60.474 5.370 -10.710 121 2HB ARG 18 HB1 ARG 18 59.335 6.648 -11.134 122 1HG ARG 18 HG2 ARG 18 60.592 6.814 -13.365 123 2HG ARG 18 HG1 ARG 18 61.352 5.284 -12.924 124 1HD ARG 18 HD2 ARG 18 59.069 4.296 -12.626 125 2HD ARG 18 HD1 ARG 18 58.381 5.803 -13.228 126 HE ARG 18 HE ARG 18 59.617 3.736 -14.848 127 1HH1 ARG 18 HH21 ARG 18 57.470 5.985 -15.381 128 2HH1 ARG 18 HH22 ARG 18 58.256 6.817 -16.681 129 1HH2 ARG 18 HH11 ARG 18 61.325 5.292 -16.154 130 2HH2 ARG 18 HH12 ARG 18 60.438 6.425 -17.118 131 H SER 19 HN SER 19 59.698 9.124 -10.251 132 HA SER 19 HA SER 19 60.619 9.241 -7.433 133 1HB SER 19 HB2 SER 19 59.116 11.049 -9.262 134 2HB SER 19 HB1 SER 19 58.708 11.134 -7.551 135 HG SER 19 HG SER 19 61.076 11.268 -7.243 136 H ILE 20 HN ILE 20 59.682 7.235 -6.709 137 HA ILE 20 HA ILE 20 56.746 6.961 -6.914 138 HB ILE 20 HB ILE 20 58.844 5.160 -5.668 139 1HG1 ILE 20 HG12 ILE 20 57.248 4.415 -8.075 140 2HG1 ILE 20 HG11 ILE 20 58.517 5.620 -8.302 141 1HG2 ILE 20 HG21 ILE 20 57.034 4.299 -4.598 142 2HG2 ILE 20 HG22 ILE 20 56.613 3.633 -6.176 143 3HG2 ILE 20 HG23 ILE 20 55.898 5.154 -5.641 144 1HD1 ILE 20 HD11 ILE 20 58.770 2.764 -7.388 145 2HD1 ILE 20 HD12 ILE 20 60.004 3.947 -6.955 146 3HD1 ILE 20 HD13 ILE 20 59.666 3.606 -8.652 147 HA PRO 21 HA PRO 21 56.458 8.916 -2.907 148 1HB PRO 21 HB2 PRO 21 53.710 8.899 -2.823 149 2HB PRO 21 HB1 PRO 21 54.655 10.090 -3.734 150 1HG PRO 21 HG2 PRO 21 53.088 7.766 -4.748 151 2HG PRO 21 HG1 PRO 21 53.506 9.280 -5.567 152 1HD PRO 21 HD2 PRO 21 54.778 6.777 -5.949 153 2HD PRO 21 HD1 PRO 21 55.377 8.353 -6.510 154 H CYS 22 HN CYS 22 55.268 8.324 -0.801 155 HA CYS 22 HA CYS 22 55.688 5.531 -0.211 156 1HB CYS 22 HB2 CYS 22 55.677 7.714 1.333 157 2HB CYS 22 HB1 CYS 22 54.002 7.223 1.583 158 H SER 23 HN SER 23 53.055 7.254 -1.547 159 HA SER 23 HA SER 23 50.879 5.667 -0.539 160 1HB SER 23 HB2 SER 23 49.962 6.460 -2.957 161 2HB SER 23 HB1 SER 23 50.011 7.526 -1.556 162 HG SER 23 HG SER 23 51.301 7.756 -3.870 163 H LEU 24 HN LEU 24 53.281 5.137 -3.011 164 HA LEU 24 HA LEU 24 51.785 2.751 -3.988 165 1HB LEU 24 HB2 LEU 24 53.844 4.556 -5.140 166 2HB LEU 24 HB1 LEU 24 53.982 2.851 -5.570 167 HG LEU 24 HG LEU 24 52.542 4.203 -7.143 168 1HD1 LEU 24 HD11 LEU 24 51.213 2.374 -7.542 169 2HD1 LEU 24 HD12 LEU 24 50.705 2.245 -5.858 170 3HD1 LEU 24 HD13 LEU 24 52.286 1.638 -6.351 171 1HD2 LEU 24 HD21 LEU 24 50.269 4.109 -5.268 172 2HD2 LEU 24 HD22 LEU 24 50.742 5.378 -6.398 173 3HD2 LEU 24 HD23 LEU 24 51.520 5.268 -4.819 174 H LEU 25 HN LEU 25 53.283 3.004 -1.373 175 HA LEU 25 HA LEU 25 55.075 0.652 -1.805 176 1HB LEU 25 HB2 LEU 25 55.588 3.003 0.043 177 2HB LEU 25 HB1 LEU 25 56.598 1.562 -0.083 178 HG LEU 25 HG LEU 25 56.020 3.516 -2.329 179 1HD1 LEU 25 HD11 LEU 25 58.798 3.111 -1.571 180 2HD1 LEU 25 HD12 LEU 25 57.842 3.694 -0.207 181 3HD1 LEU 25 HD13 LEU 25 57.889 4.616 -1.709 182 1HD2 LEU 25 HD21 LEU 25 56.487 1.681 -3.593 183 2HD2 LEU 25 HD22 LEU 25 57.149 0.793 -2.221 184 3HD2 LEU 25 HD23 LEU 25 58.153 1.958 -3.085 185 H GLU 26 HN GLU 26 54.881 -0.957 -0.236 186 HA GLU 26 HA GLU 26 52.683 -0.548 1.735 187 1HB GLU 26 HB2 GLU 26 52.728 -3.062 1.883 188 2HB GLU 26 HB1 GLU 26 52.333 -2.450 0.276 189 1HG GLU 26 HG2 GLU 26 54.146 -3.440 -0.619 190 2HG GLU 26 HG1 GLU 26 55.202 -2.707 0.589 191 H SER 27 HN SER 27 56.102 -1.154 1.458 192 HA SER 27 HA SER 27 56.508 -0.618 4.273 193 1HB SER 27 HB2 SER 27 55.945 -3.303 3.619 194 2HB SER 27 HB1 SER 27 57.688 -3.230 3.865 195 HG SER 27 HG SER 27 55.679 -3.078 5.666 196 H TYR 28 HN TYR 28 58.936 -0.982 4.807 197 HA TYR 28 HA TYR 28 60.711 -1.084 2.467 198 1HB TYR 28 HB2 TYR 28 61.593 1.138 2.679 199 2HB TYR 28 HB1 TYR 28 59.839 1.304 2.610 200 HD1 TYR 28 HD1 TYR 28 58.541 1.524 4.791 201 HD2 TYR 28 HD2 TYR 28 62.817 1.878 4.572 202 HE1 TYR 28 HE1 TYR 28 58.560 2.662 6.994 203 HE2 TYR 28 HE2 TYR 28 62.836 3.015 6.775 204 HH TYR 28 HH TYR 28 61.147 4.393 8.146 205 H PHE 29 HN PHE 29 63.056 -0.778 3.234 206 HA PHE 29 HA PHE 29 63.601 -1.065 6.075 207 1HB PHE 29 HB2 PHE 29 64.676 -3.406 5.645 208 2HB PHE 29 HB1 PHE 29 62.936 -3.314 5.915 209 HD1 PHE 29 HD1 PHE 29 61.365 -3.349 3.956 210 HD2 PHE 29 HD2 PHE 29 65.575 -4.094 3.537 211 HE1 PHE 29 HE1 PHE 29 60.965 -4.356 1.726 212 HE2 PHE 29 HE2 PHE 29 65.174 -5.102 1.306 213 HZ PHE 29 HZ PHE 29 62.869 -5.233 0.401 214 H GLU 30 HN GLU 30 66.058 -1.845 6.261 215 HA GLU 30 HA GLU 30 67.540 -0.338 4.150 216 1HB GLU 30 HB2 GLU 30 67.928 -0.711 7.094 217 2HB GLU 30 HB1 GLU 30 69.360 -0.488 6.088 218 1HG GLU 30 HG2 GLU 30 68.760 1.664 5.465 219 2HG GLU 30 HG1 GLU 30 67.038 1.361 5.697 220 H THR 31 HN THR 31 69.217 -1.359 3.059 221 HA THR 31 HA THR 31 69.242 -4.202 2.897 222 HB THR 31 HB THR 31 71.522 -3.781 1.751 223 HG1 THR 31 HG1 THR 31 72.115 -1.858 2.579 224 1HG2 THR 31 HG21 THR 31 70.436 -3.145 -0.238 225 2HG2 THR 31 HG22 THR 31 69.278 -2.124 0.615 226 3HG2 THR 31 HG23 THR 31 69.147 -3.880 0.714 227 H ASN 32 HN ASN 32 71.057 -5.650 3.494 228 HA ASN 32 HA ASN 32 71.695 -5.621 6.220 229 1HB ASN 32 HB2 ASN 32 72.702 -7.035 3.831 230 2HB ASN 32 HB1 ASN 32 73.852 -6.941 5.166 231 1HD2 ASN 32 HD21 ASN 32 70.260 -7.336 5.076 232 2HD2 ASN 32 HD22 ASN 32 70.246 -8.725 6.052 233 H SER 33 HN SER 33 73.051 -4.376 7.417 234 HA SER 33 HA SER 33 74.545 -2.220 6.302 235 1HB SER 33 HB2 SER 33 75.585 -3.165 8.863 236 2HB SER 33 HB1 SER 33 74.811 -1.633 8.467 237 HG SER 33 HG SER 33 73.307 -2.533 9.692 238 H GLU 34 HN GLU 34 75.255 -5.558 6.476 239 HA GLU 34 HA GLU 34 78.109 -5.462 6.706 240 1HB GLU 34 HB2 GLU 34 76.308 -7.465 5.314 241 2HB GLU 34 HB1 GLU 34 78.029 -7.712 5.614 242 1HG GLU 34 HG2 GLU 34 77.341 -7.092 8.102 243 2HG GLU 34 HG1 GLU 34 75.756 -7.647 7.561 244 H CYS 35 HN CYS 35 75.913 -5.071 3.977 245 HA CYS 35 HA CYS 35 77.821 -5.270 1.874 246 1HB CYS 35 HB2 CYS 35 75.338 -3.532 2.037 247 2HB CYS 35 HB1 CYS 35 76.212 -3.925 0.557 248 H SER 36 HN SER 36 79.245 -3.769 0.992 249 HA SER 36 HA SER 36 80.229 -1.673 2.673 250 1HB SER 36 HB2 SER 36 80.626 -2.259 -0.271 251 2HB SER 36 HB1 SER 36 81.467 -0.960 0.570 252 HG SER 36 HG SER 36 81.587 -3.751 1.020 253 H LYS 37 HN LYS 37 78.066 -1.641 -0.152 254 HA LYS 37 HA LYS 37 77.434 1.207 0.516 255 1HB LYS 37 HB2 LYS 37 77.542 -0.221 -2.149 256 2HB LYS 37 HB1 LYS 37 76.704 1.317 -1.940 257 1HG LYS 37 HG2 LYS 37 78.651 2.498 -1.641 258 2HG LYS 37 HG1 LYS 37 79.475 1.145 -0.866 259 1HD LYS 37 HD2 LYS 37 80.475 0.649 -2.817 260 2HD LYS 37 HD1 LYS 37 78.892 0.364 -3.542 261 1HE LYS 37 HE2 LYS 37 79.629 2.079 -4.904 262 2HE LYS 37 HE1 LYS 37 78.855 3.027 -3.634 263 1HZ LYS 37 HZ1 LYS 37 80.796 3.905 -3.082 264 2HZ LYS 37 HZ2 LYS 37 81.497 3.139 -4.427 265 3HZ LYS 37 HZ3 LYS 37 81.512 2.378 -2.908 266 HA PRO 38 HA PRO 38 73.595 -1.125 1.255 267 1HB PRO 38 HB2 PRO 38 72.847 0.431 3.395 268 2HB PRO 38 HB1 PRO 38 73.915 -0.976 3.534 269 1HG PRO 38 HG2 PRO 38 74.606 1.923 3.652 270 2HG PRO 38 HG1 PRO 38 75.441 0.540 4.379 271 1HD PRO 38 HD2 PRO 38 76.228 1.900 2.025 272 2HD PRO 38 HD1 PRO 38 76.844 0.328 2.578 273 H GLY 39 HN GLY 39 71.311 0.143 1.864 274 1HA GLY 39 HA2 GLY 39 70.917 2.761 0.893 275 2HA GLY 39 HA1 GLY 39 70.634 1.635 -0.430 276 H VAL 40 HN VAL 40 68.413 2.862 0.057 277 HA VAL 40 HA VAL 40 66.906 1.352 2.138 278 HB VAL 40 HB VAL 40 66.043 3.786 0.548 279 1HG1 VAL 40 HG11 VAL 40 64.117 3.785 1.810 280 2HG1 VAL 40 HG12 VAL 40 64.901 3.026 3.196 281 3HG1 VAL 40 HG13 VAL 40 64.429 2.049 1.805 282 1HG2 VAL 40 HG21 VAL 40 67.874 3.515 2.768 283 2HG2 VAL 40 HG22 VAL 40 66.438 4.400 3.282 284 3HG2 VAL 40 HG23 VAL 40 67.386 4.978 1.912 285 H ILE 41 HN ILE 41 65.417 -0.159 1.521 286 HA ILE 41 HA ILE 41 64.861 -0.397 -1.406 287 HB ILE 41 HB ILE 41 64.773 -2.488 0.791 288 1HG1 ILE 41 HG12 ILE 41 66.601 -2.183 -1.615 289 2HG1 ILE 41 HG11 ILE 41 67.046 -1.774 0.042 290 1HG2 ILE 41 HG21 ILE 41 63.333 -3.545 -0.595 291 2HG2 ILE 41 HG22 ILE 41 64.703 -3.748 -1.687 292 3HG2 ILE 41 HG23 ILE 41 63.608 -2.380 -1.890 293 1HD1 ILE 41 HD11 ILE 41 66.746 -4.076 0.750 294 2HD1 ILE 41 HD12 ILE 41 67.810 -4.060 -0.656 295 3HD1 ILE 41 HD13 ILE 41 66.117 -4.522 -0.836 296 H PHE 42 HN PHE 42 62.753 -0.241 -2.083 297 HA PHE 42 HA PHE 42 60.672 -0.028 0.056 298 1HB PHE 42 HB2 PHE 42 61.028 1.414 -2.567 299 2HB PHE 42 HB1 PHE 42 59.438 1.298 -1.811 300 HD1 PHE 42 HD1 PHE 42 59.444 1.829 0.816 301 HD2 PHE 42 HD2 PHE 42 62.359 3.240 -2.006 302 HE1 PHE 42 HE1 PHE 42 60.038 3.680 2.356 303 HE2 PHE 42 HE2 PHE 42 62.953 5.091 -0.466 304 HZ PHE 42 HZ PHE 42 61.793 5.311 1.714 305 H LEU 43 HN LEU 43 59.079 -1.535 -0.015 306 HA LEU 43 HA LEU 43 58.904 -3.261 -2.439 307 1HB LEU 43 HB2 LEU 43 59.315 -4.244 -0.107 308 2HB LEU 43 HB1 LEU 43 57.651 -3.792 0.261 309 HG LEU 43 HG LEU 43 56.926 -5.095 -1.770 310 1HD1 LEU 43 HD11 LEU 43 59.073 -5.062 -2.965 311 2HD1 LEU 43 HD12 LEU 43 58.556 -6.725 -2.686 312 3HD1 LEU 43 HD13 LEU 43 59.816 -6.013 -1.679 313 1HD2 LEU 43 HD21 LEU 43 58.391 -7.093 -0.155 314 2HD2 LEU 43 HD22 LEU 43 56.661 -6.945 -0.462 315 3HD2 LEU 43 HD23 LEU 43 57.424 -5.952 0.779 316 H THR 44 HN THR 44 57.112 -3.106 -3.717 317 HA THR 44 HA THR 44 54.922 -1.321 -2.818 318 HB THR 44 HB THR 44 54.266 -1.223 -5.128 319 HG1 THR 44 HG1 THR 44 55.005 -2.656 -6.614 320 1HG2 THR 44 HG21 THR 44 56.341 -0.487 -6.210 321 2HG2 THR 44 HG22 THR 44 57.292 -1.337 -4.992 322 3HG2 THR 44 HG23 THR 44 56.305 0.050 -4.531 323 H LYS 45 HN LYS 45 52.645 -2.064 -3.399 324 HA LYS 45 HA LYS 45 52.183 -4.678 -2.217 325 1HB LYS 45 HB2 LYS 45 50.655 -2.678 -1.963 326 2HB LYS 45 HB1 LYS 45 50.175 -2.914 -3.644 327 1HG LYS 45 HG2 LYS 45 49.118 -4.949 -3.197 328 2HG LYS 45 HG1 LYS 45 50.050 -5.222 -1.724 329 1HD LYS 45 HD2 LYS 45 48.525 -2.763 -1.530 330 2HD LYS 45 HD1 LYS 45 47.468 -4.127 -1.896 331 1HE LYS 45 HE2 LYS 45 48.041 -5.269 0.060 332 2HE LYS 45 HE1 LYS 45 49.571 -4.408 0.232 333 1HZ LYS 45 HZ1 LYS 45 47.567 -3.788 1.728 334 2HZ LYS 45 HZ2 LYS 45 47.043 -2.914 0.369 335 3HZ LYS 45 HZ3 LYS 45 48.543 -2.560 1.084 336 H LYS 46 HN LYS 46 53.164 -3.830 -5.259 337 HA LYS 46 HA LYS 46 51.568 -5.952 -6.607 338 1HB LYS 46 HB2 LYS 46 53.326 -3.719 -7.644 339 2HB LYS 46 HB1 LYS 46 52.737 -5.016 -8.684 340 1HG LYS 46 HG2 LYS 46 50.393 -4.440 -7.829 341 2HG LYS 46 HG1 LYS 46 51.110 -2.971 -7.165 342 1HD LYS 46 HD2 LYS 46 51.533 -2.066 -9.252 343 2HD LYS 46 HD1 LYS 46 51.676 -3.646 -10.023 344 1HE LYS 46 HE2 LYS 46 49.608 -2.639 -10.776 345 2HE LYS 46 HE1 LYS 46 49.202 -3.959 -9.678 346 1HZ LYS 46 HZ1 LYS 46 49.249 -1.058 -9.067 347 2HZ LYS 46 HZ2 LYS 46 49.101 -2.263 -7.878 348 3HZ LYS 46 HZ3 LYS 46 47.902 -2.089 -9.070 349 H GLY 47 HN GLY 47 53.850 -6.373 -4.662 350 1HA GLY 47 HA2 GLY 47 55.643 -7.853 -4.458 351 2HA GLY 47 HA1 GLY 47 55.087 -8.560 -5.972 352 H ARG 48 HN ARG 48 56.253 -5.263 -5.326 353 HA ARG 48 HA ARG 48 58.519 -5.815 -7.200 354 1HB ARG 48 HB2 ARG 48 56.335 -3.963 -7.511 355 2HB ARG 48 HB1 ARG 48 57.846 -3.064 -7.364 356 1HG ARG 48 HG2 ARG 48 57.864 -5.473 -9.121 357 2HG ARG 48 HG1 ARG 48 57.009 -4.048 -9.714 358 1HD ARG 48 HD2 ARG 48 59.025 -3.280 -10.383 359 2HD ARG 48 HD1 ARG 48 59.369 -3.006 -8.676 360 HE ARG 48 HE ARG 48 60.079 -5.614 -8.937 361 1HH1 ARG 48 HH11 ARG 48 60.306 -5.085 -11.912 362 2HH1 ARG 48 HH12 ARG 48 61.979 -4.661 -12.060 363 1HH2 ARG 48 HH21 ARG 48 62.408 -4.094 -8.666 364 2HH2 ARG 48 HH22 ARG 48 63.169 -4.100 -10.222 365 H ARG 49 HN ARG 49 60.497 -5.009 -6.538 366 HA ARG 49 HA ARG 49 60.523 -3.199 -4.165 367 1HB ARG 49 HB2 ARG 49 62.483 -4.543 -3.307 368 2HB ARG 49 HB1 ARG 49 60.944 -5.403 -3.266 369 1HG ARG 49 HG2 ARG 49 62.592 -5.649 -5.742 370 2HG ARG 49 HG1 ARG 49 63.138 -6.519 -4.307 371 1HD ARG 49 HD2 ARG 49 61.304 -7.915 -4.285 372 2HD ARG 49 HD1 ARG 49 60.243 -6.706 -5.007 373 HE ARG 49 HE ARG 49 62.089 -7.366 -7.006 374 1HH1 ARG 49 HH21 ARG 49 59.940 -9.094 -4.936 375 2HH1 ARG 49 HH22 ARG 49 59.499 -10.254 -6.143 376 1HH2 ARG 49 HH11 ARG 49 61.447 -8.815 -8.623 377 2HH2 ARG 49 HH12 ARG 49 60.352 -10.097 -8.228 378 H PHE 50 HN PHE 50 62.153 -1.647 -4.235 379 HA PHE 50 HA PHE 50 64.305 -1.911 -6.242 380 1HB PHE 50 HB2 PHE 50 63.655 0.554 -6.944 381 2HB PHE 50 HB1 PHE 50 62.860 -0.824 -7.706 382 HD1 PHE 50 HD1 PHE 50 62.506 1.862 -5.190 383 HD2 PHE 50 HD2 PHE 50 60.545 -1.363 -7.242 384 HE1 PHE 50 HE1 PHE 50 60.312 2.665 -4.356 385 HE2 PHE 50 HE2 PHE 50 58.352 -0.559 -6.408 386 HZ PHE 50 HZ PHE 50 58.235 1.454 -4.966 387 H CYS 51 HN CYS 51 66.143 -0.766 -5.627 388 HA CYS 51 HA CYS 51 66.275 0.179 -2.904 389 1HB CYS 51 HB2 CYS 51 68.203 0.256 -5.233 390 2HB CYS 51 HB1 CYS 51 68.602 0.926 -3.655 391 H ALA 52 HN ALA 52 66.871 2.388 -2.267 392 HA ALA 52 HA ALA 52 66.310 4.508 -4.260 393 1HB ALA 52 HB1 ALA 52 64.457 5.388 -3.209 394 2HB ALA 52 HB2 ALA 52 64.945 4.794 -1.622 395 3HB ALA 52 HB3 ALA 52 64.220 3.691 -2.791 396 H ASN 53 HN ASN 53 66.982 6.660 -3.430 397 HA ASN 53 HA ASN 53 69.379 6.397 -1.764 398 1HB ASN 53 HB2 ASN 53 69.189 7.869 -3.839 399 2HB ASN 53 HB1 ASN 53 68.197 8.954 -2.863 400 1HD2 ASN 53 HD21 ASN 53 71.371 8.412 -3.811 401 2HD2 ASN 53 HD22 ASN 53 72.168 9.205 -2.539 402 HA PRO 54 HA PRO 54 67.104 7.509 1.895 403 1HB PRO 54 HB2 PRO 54 69.285 7.538 3.572 404 2HB PRO 54 HB1 PRO 54 68.468 6.054 3.050 405 1HG PRO 54 HG2 PRO 54 71.084 7.173 2.150 406 2HG PRO 54 HG1 PRO 54 70.536 5.489 2.184 407 1HD PRO 54 HD2 PRO 54 70.647 7.136 -0.107 408 2HD PRO 54 HD1 PRO 54 69.771 5.596 0.024 409 H SER 55 HN SER 55 69.251 9.389 0.147 410 HA SER 55 HA SER 55 69.254 11.629 2.097 411 1HB SER 55 HB2 SER 55 70.596 11.330 -0.606 412 2HB SER 55 HB1 SER 55 70.749 12.736 0.443 413 HG SER 55 HG SER 55 71.811 11.515 1.924 414 H ASP 56 HN ASP 56 67.317 10.425 -0.364 415 HA ASP 56 HA ASP 56 66.544 12.963 -1.576 416 1HB ASP 56 HB2 ASP 56 66.289 10.837 -2.801 417 2HB ASP 56 HB1 ASP 56 65.149 10.270 -1.580 418 H LYS 57 HN LYS 57 64.929 14.332 -0.898 419 HA LYS 57 HA LYS 57 63.932 14.168 1.770 420 1HB LYS 57 HB2 LYS 57 63.262 15.830 -0.639 421 2HB LYS 57 HB1 LYS 57 62.200 15.891 0.769 422 1HG LYS 57 HG2 LYS 57 63.670 17.159 1.913 423 2HG LYS 57 HG1 LYS 57 64.988 16.039 1.567 424 1HD LYS 57 HD2 LYS 57 65.631 17.169 -0.355 425 2HD LYS 57 HD1 LYS 57 64.019 17.830 -0.630 426 1HE LYS 57 HE2 LYS 57 65.611 19.578 0.126 427 2HE LYS 57 HE1 LYS 57 64.293 19.352 1.275 428 1HZ LYS 57 HZ1 LYS 57 65.704 17.986 2.630 429 2HZ LYS 57 HZ2 LYS 57 66.488 19.465 2.341 430 3HZ LYS 57 HZ3 LYS 57 66.961 18.070 1.495 431 H GLN 58 HN GLN 58 62.440 13.319 -1.350 432 HA GLN 58 HA GLN 58 59.857 12.673 -0.338 433 1HB GLN 58 HB2 GLN 58 61.341 11.424 -2.673 434 2HB GLN 58 HB1 GLN 58 59.603 11.327 -2.390 435 1HG GLN 58 HG2 GLN 58 60.392 14.078 -2.240 436 2HG GLN 58 HG1 GLN 58 61.041 13.390 -3.729 437 1HE2 GLN 58 HE21 GLN 58 58.812 15.311 -3.577 438 2HE2 GLN 58 HE22 GLN 58 57.450 14.529 -4.219 439 H VAL 59 HN VAL 59 62.884 10.899 -0.305 440 HA VAL 59 HA VAL 59 61.705 8.334 0.353 441 HB VAL 59 HB VAL 59 64.500 9.463 0.629 442 1HG1 VAL 59 HG11 VAL 59 64.892 6.822 0.910 443 2HG1 VAL 59 HG12 VAL 59 63.305 6.937 1.671 444 3HG1 VAL 59 HG13 VAL 59 64.654 7.883 2.298 445 1HG2 VAL 59 HG21 VAL 59 63.830 7.086 -1.026 446 2HG2 VAL 59 HG22 VAL 59 64.915 8.430 -1.377 447 3HG2 VAL 59 HG23 VAL 59 63.176 8.627 -1.582 448 H GLN 60 HN GLN 60 63.376 10.823 2.314 449 HA GLN 60 HA GLN 60 62.969 9.563 4.831 450 1HB GLN 60 HB2 GLN 60 63.323 11.804 5.798 451 2HB GLN 60 HB1 GLN 60 64.483 11.493 4.506 452 1HG GLN 60 HG2 GLN 60 63.305 12.869 2.968 453 2HG GLN 60 HG1 GLN 60 61.867 12.911 3.989 454 1HE2 GLN 60 HE21 GLN 60 62.960 13.535 6.498 455 2HE2 GLN 60 HE22 GLN 60 63.704 15.060 6.433 456 H VAL 61 HN VAL 61 60.829 11.496 2.822 457 HA VAL 61 HA VAL 61 58.853 12.061 4.829 458 HB VAL 61 HB VAL 61 58.580 11.756 1.823 459 1HG1 VAL 61 HG11 VAL 61 56.447 12.842 2.029 460 2HG1 VAL 61 HG12 VAL 61 56.703 13.152 3.746 461 3HG1 VAL 61 HG13 VAL 61 56.444 11.503 3.177 462 1HG2 VAL 61 HG21 VAL 61 58.932 14.083 1.695 463 2HG2 VAL 61 HG22 VAL 61 60.111 13.568 2.901 464 3HG2 VAL 61 HG23 VAL 61 58.599 14.320 3.411 465 H CYS 62 HN CYS 62 59.063 9.466 2.375 466 HA CYS 62 HA CYS 62 56.700 8.096 3.259 467 1HB CYS 62 HB2 CYS 62 57.570 7.597 1.071 468 2HB CYS 62 HB1 CYS 62 59.144 7.159 1.733 469 H MET 63 HN MET 63 60.132 7.792 4.129 470 HA MET 63 HA MET 63 60.039 5.463 5.688 471 1HB MET 63 HB2 MET 63 61.594 8.026 6.124 472 2HB MET 63 HB1 MET 63 61.873 6.551 7.051 473 1HG MET 63 HG2 MET 63 62.213 5.348 4.848 474 2HG MET 63 HG1 MET 63 62.187 6.927 4.063 475 1HE MET 63 HE1 MET 63 64.360 4.331 4.803 476 2HE MET 63 HE2 MET 63 63.948 4.523 6.505 477 3HE MET 63 HE3 MET 63 65.600 4.816 5.968 478 H ARG 64 HN ARG 64 59.842 8.755 7.095 479 HA ARG 64 HA ARG 64 58.933 8.026 9.632 480 1HB ARG 64 HB2 ARG 64 59.438 10.392 8.539 481 2HB ARG 64 HB1 ARG 64 57.686 10.418 8.327 482 1HG ARG 64 HG2 ARG 64 57.286 10.254 10.653 483 2HG ARG 64 HG1 ARG 64 58.933 9.718 10.984 484 1HD ARG 64 HD2 ARG 64 59.341 12.151 9.748 485 2HD ARG 64 HD1 ARG 64 57.879 12.444 10.691 486 HE ARG 64 HE ARG 64 59.704 11.121 12.395 487 1HH1 ARG 64 HH21 ARG 64 58.424 13.814 12.916 488 2HH1 ARG 64 HH22 ARG 64 59.812 14.847 12.999 489 1HH2 ARG 64 HH11 ARG 64 61.940 12.550 11.508 490 2HH2 ARG 64 HH12 ARG 64 61.802 14.132 12.201 491 H MET 65 HN MET 65 57.086 8.290 6.630 492 HA MET 65 HA MET 65 54.477 8.083 7.788 493 1HB MET 65 HB2 MET 65 55.138 8.653 5.352 494 2HB MET 65 HB1 MET 65 55.223 6.908 5.110 495 1HG MET 65 HG2 MET 65 53.003 7.186 4.600 496 2HG MET 65 HG1 MET 65 52.835 7.051 6.350 497 1HE MET 65 HE1 MET 65 51.887 8.200 7.615 498 2HE MET 65 HE2 MET 65 50.923 9.643 7.313 499 3HE MET 65 HE3 MET 65 52.555 9.801 7.959 500 H LEU 66 HN LEU 66 56.377 5.515 6.154 501 HA LEU 66 HA LEU 66 54.704 3.428 7.294 502 1HB LEU 66 HB2 LEU 66 57.223 3.491 5.652 503 2HB LEU 66 HB1 LEU 66 56.706 1.982 6.406 504 HG LEU 66 HG LEU 66 54.718 3.606 4.847 505 1HD1 LEU 66 HD11 LEU 66 55.537 3.014 2.802 506 2HD1 LEU 66 HD12 LEU 66 56.132 1.459 3.382 507 3HD1 LEU 66 HD13 LEU 66 57.076 2.922 3.659 508 1HD2 LEU 66 HD21 LEU 66 53.461 1.803 5.338 509 2HD2 LEU 66 HD22 LEU 66 54.831 1.063 6.167 510 3HD2 LEU 66 HD23 LEU 66 54.589 0.784 4.442 511 H LYS 67 HN LYS 67 57.020 5.367 8.668 512 HA LYS 67 HA LYS 67 58.599 3.524 10.178 513 1HB LYS 67 HB2 LYS 67 58.151 6.378 10.101 514 2HB LYS 67 HB1 LYS 67 58.185 5.818 11.774 515 1HG LYS 67 HG2 LYS 67 60.288 4.453 10.971 516 2HG LYS 67 HG1 LYS 67 60.332 5.656 9.681 517 1HD LYS 67 HD2 LYS 67 60.261 7.449 11.440 518 2HD LYS 67 HD1 LYS 67 60.415 6.188 12.664 519 1HE LYS 67 HE2 LYS 67 62.395 6.061 10.468 520 2HE LYS 67 HE1 LYS 67 62.543 7.458 11.534 521 1HZ LYS 67 HZ1 LYS 67 63.695 5.217 12.130 522 2HZ LYS 67 HZ2 LYS 67 62.156 4.799 12.716 523 3HZ LYS 67 HZ3 LYS 67 62.969 6.153 13.344 524 H LEU 68 HN LEU 68 58.276 3.924 12.821 525 HA LEU 68 HA LEU 68 55.893 2.373 13.422 526 1HB LEU 68 HB2 LEU 68 58.353 2.824 14.666 527 2HB LEU 68 HB1 LEU 68 57.180 3.594 15.735 528 HG LEU 68 HG LEU 68 57.538 1.188 16.286 529 1HD1 LEU 68 HD11 LEU 68 55.337 2.421 16.636 530 2HD1 LEU 68 HD12 LEU 68 55.213 0.664 16.546 531 3HD1 LEU 68 HD13 LEU 68 54.769 1.652 15.154 532 1HD2 LEU 68 HD21 LEU 68 57.727 0.767 13.640 533 2HD2 LEU 68 HD22 LEU 68 56.014 0.400 13.844 534 3HD2 LEU 68 HD23 LEU 68 57.224 -0.506 14.752 535 H ASP 69 HN ASP 69 53.910 3.188 13.896 536 HA ASP 69 HA ASP 69 53.550 6.090 14.099 537 1HB ASP 69 HB2 ASP 69 51.800 3.707 13.795 538 2HB ASP 69 HB1 ASP 69 51.089 5.094 14.620 539 H THR 70 HN THR 70 55.090 5.586 16.194 540 HA THR 70 HA THR 70 55.209 5.870 18.518 541 HB THR 70 HB THR 70 52.225 6.206 18.638 542 HG1 THR 70 HG1 THR 70 52.302 7.995 17.522 543 1HG2 THR 70 HG21 THR 70 52.790 7.831 20.331 544 2HG2 THR 70 HG22 THR 70 54.497 7.760 19.898 545 3HG2 THR 70 HG23 THR 70 53.721 6.370 20.657 546 H ARG 71 HN ARG 71 51.950 4.422 18.205 547 HA ARG 71 HA ARG 71 53.043 1.920 19.395 548 1HB ARG 71 HB2 ARG 71 50.769 3.601 20.458 549 2HB ARG 71 HB1 ARG 71 50.914 1.884 20.840 550 1HG ARG 71 HG2 ARG 71 53.397 3.455 21.182 551 2HG ARG 71 HG1 ARG 71 52.094 3.862 22.299 552 1HD ARG 71 HD2 ARG 71 52.949 1.008 21.787 553 2HD ARG 71 HD1 ARG 71 53.675 1.997 23.053 554 HE ARG 71 HE ARG 71 51.037 2.260 23.640 555 1HH1 ARG 71 HH21 ARG 71 53.312 -0.274 23.453 556 2HH1 ARG 71 HH22 ARG 71 52.238 -1.486 24.066 557 1HH2 ARG 71 HH11 ARG 71 49.484 0.619 24.150 558 2HH2 ARG 71 HH12 ARG 71 50.070 -0.981 24.461 559 H ILE 72 HN ILE 72 51.464 3.240 16.874 560 HA ILE 72 HA ILE 72 49.808 2.490 15.366 561 HB ILE 72 HB ILE 72 51.153 -0.111 16.157 562 1HG1 ILE 72 HG12 ILE 72 51.717 1.508 13.685 563 2HG1 ILE 72 HG11 ILE 72 52.488 1.944 15.210 564 1HG2 ILE 72 HG21 ILE 72 49.656 -1.085 14.784 565 2HG2 ILE 72 HG22 ILE 72 50.329 -0.135 13.460 566 3HG2 ILE 72 HG23 ILE 72 48.951 0.478 14.375 567 1HD1 ILE 72 HD11 ILE 72 53.672 0.235 13.594 568 2HD1 ILE 72 HD12 ILE 72 52.542 -0.918 14.305 569 3HD1 ILE 72 HD13 ILE 72 53.684 -0.054 15.334 570 H LYS 73 HN LYS 73 48.773 2.810 18.017 571 HA LYS 73 HA LYS 73 47.205 0.422 18.661 572 1HB LYS 73 HB2 LYS 73 48.045 2.555 20.142 573 2HB LYS 73 HB1 LYS 73 46.377 3.022 19.804 574 1HG LYS 73 HG2 LYS 73 45.535 0.962 20.736 575 2HG LYS 73 HG1 LYS 73 47.164 0.302 20.880 576 1HD LYS 73 HD2 LYS 73 46.999 1.071 23.024 577 2HD LYS 73 HD1 LYS 73 47.455 2.608 22.286 578 1HE LYS 73 HE2 LYS 73 45.492 2.994 23.647 579 2HE LYS 73 HE1 LYS 73 45.005 3.090 21.955 580 1HZ LYS 73 HZ1 LYS 73 44.141 0.894 22.046 581 2HZ LYS 73 HZ2 LYS 73 43.514 1.734 23.383 582 3HZ LYS 73 HZ3 LYS 73 44.785 0.627 23.592 583 H THR 74 HN THR 74 46.252 3.768 17.778 584 HA THR 74 HA THR 74 44.235 2.687 15.923 585 HB THR 74 HB THR 74 42.742 2.645 17.693 586 HG1 THR 74 HG1 THR 74 41.847 4.946 17.779 587 1HG2 THR 74 HG21 THR 74 44.646 4.594 18.869 588 2HG2 THR 74 HG22 THR 74 43.840 3.215 19.616 589 3HG2 THR 74 HG23 THR 74 42.968 4.732 19.395 590 H ARG 75 HN ARG 75 43.930 5.830 17.444 591 HA ARG 75 HA ARG 75 44.404 7.988 16.632 592 1HB ARG 75 HB2 ARG 75 46.668 6.810 16.092 593 2HB ARG 75 HB1 ARG 75 46.064 6.765 14.436 594 1HG ARG 75 HG2 ARG 75 45.984 9.112 14.268 595 2HG ARG 75 HG1 ARG 75 46.017 9.328 16.019 596 1HD ARG 75 HD2 ARG 75 48.361 7.881 15.306 597 2HD ARG 75 HD1 ARG 75 48.231 9.246 14.197 598 HE ARG 75 HE ARG 75 48.524 10.726 16.042 599 1HH1 ARG 75 HH21 ARG 75 50.452 8.703 17.049 600 2HH1 ARG 75 HH22 ARG 75 49.892 8.419 18.663 601 1HH2 ARG 75 HH11 ARG 75 46.771 9.826 18.112 602 2HH2 ARG 75 HH12 ARG 75 47.808 9.055 19.265 603 H LYS 76 HN LYS 76 43.851 9.340 14.710 604 HA LYS 76 HA LYS 76 42.309 7.891 12.619 605 1HB LYS 76 HB2 LYS 76 41.236 9.764 14.669 606 2HB LYS 76 HB1 LYS 76 40.638 9.968 13.022 607 1HG LYS 76 HG2 LYS 76 40.677 7.175 13.561 608 2HG LYS 76 HG1 LYS 76 39.911 7.963 14.941 609 1HD LYS 76 HD2 LYS 76 38.750 9.323 12.889 610 2HD LYS 76 HD1 LYS 76 38.982 7.743 12.138 611 1HE LYS 76 HE2 LYS 76 37.591 6.664 13.658 612 2HE LYS 76 HE1 LYS 76 37.850 7.878 14.911 613 1HZ LYS 76 HZ1 LYS 76 36.538 8.693 12.421 614 2HZ LYS 76 HZ2 LYS 76 36.332 9.289 13.998 615 3HZ LYS 76 HZ3 LYS 76 35.637 7.805 13.550 616 H ASN 77 HN ASN 77 44.880 9.399 12.698 617 HA ASN 77 HA ASN 77 45.971 11.118 11.513 618 1HB ASN 77 HB2 ASN 77 43.892 9.958 9.723 619 2HB ASN 77 HB1 ASN 77 44.640 11.467 9.198 620 1HD2 ASN 77 HD21 ASN 77 46.706 11.315 8.265 621 2HD2 ASN 77 HD22 ASN 77 47.664 9.915 8.283 Start of MODEL 13 1 1H MET 1 HT1 MET 1 57.635 3.405 -20.229 2 2H MET 1 HT2 MET 1 58.174 3.150 -21.820 3 3H MET 1 HT3 MET 1 57.871 4.727 -21.265 4 HA MET 1 HA MET 1 59.716 3.514 -19.529 5 1HB MET 1 HB2 MET 1 60.136 2.081 -21.571 6 2HB MET 1 HB1 MET 1 60.587 3.554 -22.431 7 1HG MET 1 HG2 MET 1 62.666 3.330 -21.599 8 2HG MET 1 HG1 MET 1 62.002 3.631 -19.993 9 1HE MET 1 HE1 MET 1 63.071 -0.268 -22.050 10 2HE MET 1 HE2 MET 1 62.910 1.356 -22.715 11 3HE MET 1 HE3 MET 1 61.471 0.373 -22.449 12 H ASP 2 HN ASP 2 58.482 5.930 -19.516 13 HA ASP 2 HA ASP 2 60.745 7.769 -20.036 14 1HB ASP 2 HB2 ASP 2 58.525 7.641 -21.770 15 2HB ASP 2 HB1 ASP 2 58.270 9.075 -20.775 16 H ARG 3 HN ARG 3 60.736 7.568 -17.637 17 HA ARG 3 HA ARG 3 58.555 8.306 -15.986 18 1HB ARG 3 HB2 ARG 3 61.538 8.350 -15.666 19 2HB ARG 3 HB1 ARG 3 60.535 9.126 -14.440 20 1HG ARG 3 HG2 ARG 3 60.600 6.978 -13.584 21 2HG ARG 3 HG1 ARG 3 59.175 6.845 -14.614 22 1HD ARG 3 HD2 ARG 3 60.223 5.125 -15.634 23 2HD ARG 3 HD1 ARG 3 61.298 6.329 -16.344 24 HE ARG 3 HE ARG 3 61.901 4.743 -13.891 25 1HH1 ARG 3 HH21 ARG 3 63.370 4.485 -16.554 26 2HH1 ARG 3 HH22 ARG 3 64.807 5.396 -16.230 27 1HH2 ARG 3 HH11 ARG 3 63.506 6.953 -13.418 28 2HH2 ARG 3 HH12 ARG 3 64.884 6.793 -14.456 29 H PHE 4 HN PHE 4 57.695 10.281 -15.418 30 HA PHE 4 HA PHE 4 58.706 12.642 -16.893 31 1HB PHE 4 HB2 PHE 4 56.301 12.688 -15.092 32 2HB PHE 4 HB1 PHE 4 56.593 13.588 -16.581 33 HD1 PHE 4 HD1 PHE 4 55.382 10.465 -15.131 34 HD2 PHE 4 HD2 PHE 4 56.458 12.443 -18.789 35 HE1 PHE 4 HE1 PHE 4 54.202 8.711 -16.427 36 HE2 PHE 4 HE2 PHE 4 55.278 10.689 -20.085 37 HZ PHE 4 HZ PHE 4 54.150 8.822 -18.904 38 H HIS 5 HN HIS 5 59.870 14.221 -15.891 39 HA HIS 5 HA HIS 5 59.650 14.530 -12.948 40 1HB HIS 5 HB2 HIS 5 61.795 13.158 -14.159 41 2HB HIS 5 HB1 HIS 5 62.423 14.755 -13.754 42 HD1 HIS 5 HD1 HIS 5 62.236 11.580 -12.289 43 HD2 HIS 5 HD2 HIS 5 61.299 15.389 -10.876 44 HE1 HIS 5 HE1 HIS 5 62.251 11.430 -9.760 45 H ALA 6 HN ALA 6 60.052 16.659 -12.272 46 HA ALA 6 HA ALA 6 60.696 18.600 -14.458 47 1HB ALA 6 HB1 ALA 6 58.386 18.918 -13.935 48 2HB ALA 6 HB2 ALA 6 59.246 20.209 -13.095 49 3HB ALA 6 HB3 ALA 6 58.689 18.793 -12.202 50 H THR 7 HN THR 7 60.878 17.923 -10.972 51 HA THR 7 HA THR 7 63.237 19.761 -10.868 52 HB THR 7 HB THR 7 62.561 20.615 -8.807 53 HG1 THR 7 HG1 THR 7 62.243 18.794 -7.648 54 1HG2 THR 7 HG21 THR 7 60.642 21.633 -9.423 55 2HG2 THR 7 HG22 THR 7 59.751 20.112 -9.430 56 3HG2 THR 7 HG23 THR 7 60.679 20.597 -10.849 57 H SER 8 HN SER 8 64.603 19.156 -8.805 58 HA SER 8 HA SER 8 65.120 16.249 -9.004 59 1HB SER 8 HB2 SER 8 66.703 18.324 -7.471 60 2HB SER 8 HB1 SER 8 67.240 16.723 -7.969 61 HG SER 8 HG SER 8 67.044 19.075 -9.400 62 H ALA 9 HN ALA 9 62.791 16.468 -7.716 63 HA ALA 9 HA ALA 9 63.302 16.623 -4.802 64 1HB ALA 9 HB1 ALA 9 61.262 17.675 -5.398 65 2HB ALA 9 HB2 ALA 9 60.773 16.113 -4.741 66 3HB ALA 9 HB3 ALA 9 60.809 16.363 -6.486 67 H ASP 10 HN ASP 10 63.089 14.815 -3.429 68 HA ASP 10 HA ASP 10 62.698 12.180 -4.780 69 1HB ASP 10 HB2 ASP 10 65.124 13.181 -3.656 70 2HB ASP 10 HB1 ASP 10 64.538 11.890 -2.606 71 H CYS 11 HN CYS 11 60.842 13.789 -3.184 72 HA CYS 11 HA CYS 11 60.686 12.217 -0.659 73 1HB CYS 11 HB2 CYS 11 59.371 14.777 -1.585 74 2HB CYS 11 HB1 CYS 11 58.827 13.910 -0.148 75 H CYS 12 HN CYS 12 59.063 10.730 -0.362 76 HA CYS 12 HA CYS 12 57.404 10.055 -2.689 77 1HB CYS 12 HB2 CYS 12 57.955 8.800 -0.014 78 2HB CYS 12 HB1 CYS 12 56.560 8.273 -0.954 79 H ILE 13 HN ILE 13 55.490 11.088 -2.988 80 HA ILE 13 HA ILE 13 54.124 12.329 -0.680 81 HB ILE 13 HB ILE 13 54.354 13.562 -2.840 82 1HG1 ILE 13 HG12 ILE 13 51.644 13.734 -3.061 83 2HG1 ILE 13 HG11 ILE 13 51.789 12.961 -1.482 84 1HG2 ILE 13 HG21 ILE 13 52.204 12.051 -4.149 85 2HG2 ILE 13 HG22 ILE 13 53.693 11.124 -3.966 86 3HG2 ILE 13 HG23 ILE 13 53.714 12.666 -4.821 87 1HD1 ILE 13 HD11 ILE 13 52.116 15.700 -2.066 88 2HD1 ILE 13 HD12 ILE 13 53.735 15.085 -1.732 89 3HD1 ILE 13 HD13 ILE 13 52.454 14.892 -0.535 90 H SER 14 HN SER 14 53.900 9.522 -2.704 91 HA SER 14 HA SER 14 51.542 8.632 -1.137 92 1HB SER 14 HB2 SER 14 51.514 8.003 -4.051 93 2HB SER 14 HB1 SER 14 50.167 8.257 -2.946 94 HG SER 14 HG SER 14 51.614 10.062 -4.459 95 H TYR 15 HN TYR 15 51.538 6.382 -0.797 96 HA TYR 15 HA TYR 15 54.011 4.992 -1.712 97 1HB TYR 15 HB2 TYR 15 52.083 4.195 0.489 98 2HB TYR 15 HB1 TYR 15 53.659 3.474 0.157 99 HD1 TYR 15 HD1 TYR 15 54.912 6.265 -0.609 100 HD2 TYR 15 HD2 TYR 15 52.719 4.814 2.788 101 HE1 TYR 15 HE1 TYR 15 55.997 7.974 0.823 102 HE2 TYR 15 HE2 TYR 15 53.804 6.523 4.219 103 HH TYR 15 HH TYR 15 55.658 7.948 4.295 104 H THR 16 HN THR 16 53.549 2.464 -1.872 105 HA THR 16 HA THR 16 51.621 2.164 -4.033 106 HB THR 16 HB THR 16 53.844 0.962 -3.902 107 HG1 THR 16 HG1 THR 16 52.636 -0.032 -5.324 108 1HG2 THR 16 HG21 THR 16 54.173 -0.815 -2.399 109 2HG2 THR 16 HG22 THR 16 52.453 -0.939 -2.027 110 3HG2 THR 16 HG23 THR 16 53.395 0.414 -1.401 111 HA PRO 17 HA PRO 17 48.341 1.001 -1.252 112 1HB PRO 17 HB2 PRO 17 46.468 0.571 -3.217 113 2HB PRO 17 HB1 PRO 17 46.923 2.182 -2.635 114 1HG PRO 17 HG2 PRO 17 47.644 0.841 -5.198 115 2HG PRO 17 HG1 PRO 17 47.528 2.570 -4.830 116 1HD PRO 17 HD2 PRO 17 49.922 1.062 -5.012 117 2HD PRO 17 HD1 PRO 17 49.764 2.703 -4.348 118 H ARG 18 HN ARG 18 50.092 -1.052 -1.401 119 HA ARG 18 HA ARG 18 48.340 -3.388 -1.727 120 1HB ARG 18 HB2 ARG 18 50.782 -2.931 -3.449 121 2HB ARG 18 HB1 ARG 18 50.145 -4.547 -3.140 122 1HG ARG 18 HG2 ARG 18 47.905 -3.736 -3.966 123 2HG ARG 18 HG1 ARG 18 48.692 -2.233 -4.449 124 1HD ARG 18 HD2 ARG 18 50.314 -3.646 -5.800 125 2HD ARG 18 HD1 ARG 18 49.257 -5.021 -5.482 126 HE ARG 18 HE ARG 18 47.825 -4.174 -7.140 127 1HH1 ARG 18 HH11 ARG 18 50.225 -2.376 -7.929 128 2HH1 ARG 18 HH12 ARG 18 49.432 -0.840 -8.042 129 1HH2 ARG 18 HH21 ARG 18 46.587 -1.886 -6.357 130 2HH2 ARG 18 HH22 ARG 18 47.373 -0.562 -7.152 131 H SER 19 HN SER 19 49.034 -5.123 -0.437 132 HA SER 19 HA SER 19 51.010 -4.460 1.609 133 1HB SER 19 HB2 SER 19 48.821 -5.867 1.851 134 2HB SER 19 HB1 SER 19 49.801 -7.193 1.233 135 HG SER 19 HG SER 19 51.345 -6.354 2.962 136 H ILE 20 HN ILE 20 53.156 -4.883 1.423 137 HA ILE 20 HA ILE 20 53.999 -6.883 -0.624 138 HB ILE 20 HB ILE 20 55.686 -4.707 0.639 139 1HG1 ILE 20 HG12 ILE 20 53.737 -3.776 -0.615 140 2HG1 ILE 20 HG11 ILE 20 55.276 -3.411 -1.396 141 1HG2 ILE 20 HG21 ILE 20 56.775 -6.742 -0.448 142 2HG2 ILE 20 HG22 ILE 20 57.236 -5.180 -1.124 143 3HG2 ILE 20 HG23 ILE 20 56.067 -6.196 -1.968 144 1HD1 ILE 20 HD11 ILE 20 53.048 -4.728 -2.537 145 2HD1 ILE 20 HD12 ILE 20 54.296 -5.958 -2.329 146 3HD1 ILE 20 HD13 ILE 20 54.641 -4.500 -3.259 147 HA PRO 21 HA PRO 21 55.352 -9.314 2.838 148 1HB PRO 21 HB2 PRO 21 56.539 -11.296 1.347 149 2HB PRO 21 HB1 PRO 21 54.787 -11.166 1.584 150 1HG PRO 21 HG2 PRO 21 56.405 -10.527 -0.836 151 2HG PRO 21 HG1 PRO 21 54.704 -11.005 -0.718 152 1HD PRO 21 HD2 PRO 21 55.666 -8.370 -1.120 153 2HD PRO 21 HD1 PRO 21 54.004 -8.824 -0.687 154 H CYS 22 HN CYS 22 57.299 -9.471 3.996 155 HA CYS 22 HA CYS 22 59.548 -7.904 3.085 156 1HB CYS 22 HB2 CYS 22 58.834 -8.327 5.508 157 2HB CYS 22 HB1 CYS 22 59.590 -9.912 5.347 158 H SER 23 HN SER 23 58.577 -11.095 2.456 159 HA SER 23 HA SER 23 61.258 -12.227 2.171 160 1HB SER 23 HB2 SER 23 58.466 -13.149 1.763 161 2HB SER 23 HB1 SER 23 59.688 -13.915 0.751 162 HG SER 23 HG SER 23 59.571 -15.051 2.660 163 H LEU 24 HN LEU 24 59.113 -10.339 0.229 164 HA LEU 24 HA LEU 24 60.611 -11.043 -2.245 165 1HB LEU 24 HB2 LEU 24 57.945 -9.853 -1.655 166 2HB LEU 24 HB1 LEU 24 58.766 -9.283 -3.109 167 HG LEU 24 HG LEU 24 58.725 -12.226 -2.622 168 1HD1 LEU 24 HD11 LEU 24 56.325 -10.525 -3.219 169 2HD1 LEU 24 HD12 LEU 24 56.443 -11.975 -2.222 170 3HD1 LEU 24 HD13 LEU 24 56.465 -12.109 -3.981 171 1HD2 LEU 24 HD21 LEU 24 59.727 -11.884 -4.644 172 2HD2 LEU 24 HD22 LEU 24 58.994 -10.293 -4.846 173 3HD2 LEU 24 HD23 LEU 24 58.070 -11.745 -5.231 174 H LEU 25 HN LEU 25 61.573 -9.324 0.088 175 HA LEU 25 HA LEU 25 62.235 -6.911 -1.552 176 1HB LEU 25 HB2 LEU 25 61.917 -7.015 1.463 177 2HB LEU 25 HB1 LEU 25 62.248 -5.581 0.490 178 HG LEU 25 HG LEU 25 59.806 -7.270 -0.028 179 1HD1 LEU 25 HD11 LEU 25 59.493 -4.807 1.587 180 2HD1 LEU 25 HD12 LEU 25 60.224 -6.174 2.428 181 3HD1 LEU 25 HD13 LEU 25 58.629 -6.341 1.694 182 1HD2 LEU 25 HD21 LEU 25 60.984 -4.862 -1.088 183 2HD2 LEU 25 HD22 LEU 25 59.408 -4.485 -0.393 184 3HD2 LEU 25 HD23 LEU 25 59.547 -5.720 -1.644 185 H GLU 26 HN GLU 26 64.406 -6.346 -1.592 186 HA GLU 26 HA GLU 26 66.265 -8.286 -0.321 187 1HB GLU 26 HB2 GLU 26 67.913 -7.502 -1.903 188 2HB GLU 26 HB1 GLU 26 66.414 -7.773 -2.793 189 1HG GLU 26 HG2 GLU 26 65.925 -5.269 -2.308 190 2HG GLU 26 HG1 GLU 26 67.648 -5.157 -1.944 191 H SER 27 HN SER 27 65.304 -4.926 -0.247 192 HA SER 27 HA SER 27 66.666 -4.505 2.270 193 1HB SER 27 HB2 SER 27 68.540 -3.364 1.654 194 2HB SER 27 HB1 SER 27 68.340 -4.213 0.124 195 HG SER 27 HG SER 27 67.052 -2.403 -0.555 196 H TYR 28 HN TYR 28 66.617 -1.906 2.650 197 HA TYR 28 HA TYR 28 64.535 -0.465 1.259 198 1HB TYR 28 HB2 TYR 28 62.814 -0.494 2.966 199 2HB TYR 28 HB1 TYR 28 63.185 -2.164 2.538 200 HD1 TYR 28 HD1 TYR 28 62.703 0.026 5.232 201 HD2 TYR 28 HD2 TYR 28 65.230 -3.200 3.945 202 HE1 TYR 28 HE1 TYR 28 63.298 -0.450 7.592 203 HE2 TYR 28 HE2 TYR 28 65.825 -3.676 6.305 204 HH TYR 28 HH TYR 28 64.980 -3.311 8.521 205 H PHE 29 HN PHE 29 64.092 1.647 2.373 206 HA PHE 29 HA PHE 29 65.848 2.385 4.600 207 1HB PHE 29 HB2 PHE 29 66.734 4.338 3.019 208 2HB PHE 29 HB1 PHE 29 67.562 2.783 3.095 209 HD1 PHE 29 HD1 PHE 29 67.048 1.019 1.360 210 HD2 PHE 29 HD2 PHE 29 65.669 5.073 1.016 211 HE1 PHE 29 HE1 PHE 29 66.622 0.670 -1.058 212 HE2 PHE 29 HE2 PHE 29 65.244 4.724 -1.402 213 HZ PHE 29 HZ PHE 29 65.720 2.522 -2.439 214 H GLU 30 HN GLU 30 65.717 5.061 4.583 215 HA GLU 30 HA GLU 30 62.783 5.582 4.498 216 1HB GLU 30 HB2 GLU 30 65.057 6.657 6.137 217 2HB GLU 30 HB1 GLU 30 63.621 7.654 5.902 218 1HG GLU 30 HG2 GLU 30 62.724 5.025 6.513 219 2HG GLU 30 HG1 GLU 30 63.974 5.436 7.688 220 H THR 31 HN THR 31 62.285 8.003 4.023 221 HA THR 31 HA THR 31 63.650 8.669 1.482 222 HB THR 31 HB THR 31 61.742 10.530 1.619 223 HG1 THR 31 HG1 THR 31 61.115 9.962 3.718 224 1HG2 THR 31 HG21 THR 31 61.041 7.630 1.117 225 2HG2 THR 31 HG22 THR 31 61.994 8.603 -0.003 226 3HG2 THR 31 HG23 THR 31 60.327 9.052 0.357 227 H ASN 32 HN ASN 32 63.508 11.353 1.293 228 HA ASN 32 HA ASN 32 65.712 12.289 2.827 229 1HB ASN 32 HB2 ASN 32 63.581 13.675 1.205 230 2HB ASN 32 HB1 ASN 32 64.788 14.606 2.092 231 1HD2 ASN 32 HD21 ASN 32 65.027 14.981 -0.560 232 2HD2 ASN 32 HD22 ASN 32 66.288 14.065 -1.233 233 H SER 33 HN SER 33 65.767 12.811 4.953 234 HA SER 33 HA SER 33 63.372 12.967 6.556 235 1HB SER 33 HB2 SER 33 66.058 14.036 7.411 236 2HB SER 33 HB1 SER 33 64.813 13.279 8.400 237 HG SER 33 HG SER 33 65.460 11.353 7.757 238 H GLU 34 HN GLU 34 65.039 15.247 4.622 239 HA GLU 34 HA GLU 34 64.471 17.648 6.085 240 1HB GLU 34 HB2 GLU 34 65.045 17.026 3.196 241 2HB GLU 34 HB1 GLU 34 64.567 18.655 3.674 242 1HG GLU 34 HG2 GLU 34 66.730 17.275 5.224 243 2HG GLU 34 HG1 GLU 34 67.122 17.970 3.651 244 H CYS 35 HN CYS 35 62.530 15.597 4.019 245 HA CYS 35 HA CYS 35 60.430 17.548 3.563 246 1HB CYS 35 HB2 CYS 35 60.884 14.684 3.004 247 2HB CYS 35 HB1 CYS 35 59.197 15.118 3.279 248 H SER 36 HN SER 36 58.396 17.664 4.639 249 HA SER 36 HA SER 36 58.479 17.248 7.477 250 1HB SER 36 HB2 SER 36 56.762 18.538 5.610 251 2HB SER 36 HB1 SER 36 55.768 17.432 6.553 252 HG SER 36 HG SER 36 57.063 18.397 8.396 253 H LYS 37 HN LYS 37 56.595 15.584 4.925 254 HA LYS 37 HA LYS 37 55.866 13.469 6.847 255 1HB LYS 37 HB2 LYS 37 55.236 13.641 3.889 256 2HB LYS 37 HB1 LYS 37 54.439 12.621 5.088 257 1HG LYS 37 HG2 LYS 37 52.938 14.333 5.186 258 2HG LYS 37 HG1 LYS 37 54.144 15.073 6.239 259 1HD LYS 37 HD2 LYS 37 54.881 16.531 4.608 260 2HD LYS 37 HD1 LYS 37 54.468 15.432 3.292 261 1HE LYS 37 HE2 LYS 37 52.052 15.863 3.737 262 2HE LYS 37 HE1 LYS 37 52.517 17.041 4.964 263 1HZ LYS 37 HZ1 LYS 37 53.467 18.431 3.374 264 2HZ LYS 37 HZ2 LYS 37 52.030 17.900 2.639 265 3HZ LYS 37 HZ3 LYS 37 53.520 17.217 2.191 266 HA PRO 38 HA PRO 38 59.509 11.275 5.379 267 1HB PRO 38 HB2 PRO 38 59.469 9.419 7.407 268 2HB PRO 38 HB1 PRO 38 60.168 11.039 7.575 269 1HG PRO 38 HG2 PRO 38 57.596 9.984 8.655 270 2HG PRO 38 HG1 PRO 38 58.618 11.295 9.269 271 1HD PRO 38 HD2 PRO 38 56.229 11.614 7.786 272 2HD PRO 38 HD1 PRO 38 57.429 12.880 8.118 273 H GLY 39 HN GLY 39 59.789 8.632 5.334 274 1HA GLY 39 HA2 GLY 39 57.487 7.028 4.991 275 2HA GLY 39 HA1 GLY 39 57.964 7.669 3.423 276 H VAL 40 HN VAL 40 58.108 4.976 3.656 277 HA VAL 40 HA VAL 40 61.040 4.477 3.995 278 HB VAL 40 HB VAL 40 58.907 2.367 4.345 279 1HG1 VAL 40 HG11 VAL 40 61.439 2.275 5.847 280 2HG1 VAL 40 HG12 VAL 40 61.643 2.214 4.097 281 3HG1 VAL 40 HG13 VAL 40 60.641 1.012 4.909 282 1HG2 VAL 40 HG21 VAL 40 59.510 2.813 6.867 283 2HG2 VAL 40 HG22 VAL 40 58.296 3.818 6.076 284 3HG2 VAL 40 HG23 VAL 40 59.941 4.421 6.284 285 H ILE 41 HN ILE 41 62.050 3.570 2.242 286 HA ILE 41 HA ILE 41 60.330 2.919 -0.106 287 HB ILE 41 HB ILE 41 63.313 3.470 0.012 288 1HG1 ILE 41 HG12 ILE 41 61.631 5.398 -1.391 289 2HG1 ILE 41 HG11 ILE 41 61.194 5.270 0.314 290 1HG2 ILE 41 HG21 ILE 41 62.878 3.828 -2.497 291 2HG2 ILE 41 HG22 ILE 41 61.343 3.000 -2.232 292 3HG2 ILE 41 HG23 ILE 41 62.863 2.160 -1.922 293 1HD1 ILE 41 HD11 ILE 41 62.900 6.812 0.492 294 2HD1 ILE 41 HD12 ILE 41 63.749 6.193 -0.924 295 3HD1 ILE 41 HD13 ILE 41 63.849 5.330 0.611 296 H PHE 42 HN PHE 42 60.129 0.804 -0.675 297 HA PHE 42 HA PHE 42 62.077 -1.131 0.506 298 1HB PHE 42 HB2 PHE 42 59.151 -1.290 -0.144 299 2HB PHE 42 HB1 PHE 42 60.116 -2.767 -0.160 300 HD1 PHE 42 HD1 PHE 42 61.562 -3.276 1.913 301 HD2 PHE 42 HD2 PHE 42 58.386 -0.385 1.894 302 HE1 PHE 42 HE1 PHE 42 61.457 -3.375 4.390 303 HE2 PHE 42 HE2 PHE 42 58.281 -0.484 4.370 304 HZ PHE 42 HZ PHE 42 59.816 -1.979 5.618 305 H LEU 43 HN LEU 43 63.453 -2.065 -0.922 306 HA LEU 43 HA LEU 43 62.812 -1.895 -3.821 307 1HB LEU 43 HB2 LEU 43 65.042 -1.098 -2.723 308 2HB LEU 43 HB1 LEU 43 65.437 -2.815 -2.673 309 HG LEU 43 HG LEU 43 64.511 -1.432 -5.199 310 1HD1 LEU 43 HD11 LEU 43 66.644 -0.775 -5.701 311 2HD1 LEU 43 HD12 LEU 43 67.373 -2.141 -4.858 312 3HD1 LEU 43 HD13 LEU 43 66.814 -0.739 -3.946 313 1HD2 LEU 43 HD21 LEU 43 66.114 -3.533 -5.894 314 2HD2 LEU 43 HD22 LEU 43 64.361 -3.642 -5.739 315 3HD2 LEU 43 HD23 LEU 43 65.397 -4.140 -4.401 316 H THR 44 HN THR 44 62.532 -3.760 -5.044 317 HA THR 44 HA THR 44 62.513 -6.321 -3.511 318 HB THR 44 HB THR 44 60.876 -7.114 -5.052 319 HG1 THR 44 HG1 THR 44 60.884 -6.470 -7.038 320 1HG2 THR 44 HG21 THR 44 59.168 -5.272 -5.040 321 2HG2 THR 44 HG22 THR 44 60.427 -4.176 -4.470 322 3HG2 THR 44 HG23 THR 44 59.930 -5.543 -3.473 323 H LYS 45 HN LYS 45 63.052 -8.292 -4.921 324 HA LYS 45 HA LYS 45 65.691 -7.879 -6.088 325 1HB LYS 45 HB2 LYS 45 65.143 -9.913 -4.787 326 2HB LYS 45 HB1 LYS 45 63.952 -10.365 -6.007 327 1HG LYS 45 HG2 LYS 45 66.196 -11.500 -6.268 328 2HG LYS 45 HG1 LYS 45 65.659 -10.607 -7.692 329 1HD LYS 45 HD2 LYS 45 67.182 -8.865 -7.337 330 2HD LYS 45 HD1 LYS 45 67.364 -9.244 -5.624 331 1HE LYS 45 HE2 LYS 45 69.023 -10.729 -6.024 332 2HE LYS 45 HE1 LYS 45 68.141 -11.470 -7.360 333 1HZ LYS 45 HZ1 LYS 45 68.807 -9.073 -8.376 334 2HZ LYS 45 HZ2 LYS 45 69.694 -10.502 -8.617 335 3HZ LYS 45 HZ3 LYS 45 70.155 -9.406 -7.403 336 H LYS 46 HN LYS 46 62.707 -7.286 -7.320 337 HA LYS 46 HA LYS 46 63.420 -8.235 -10.058 338 1HB LYS 46 HB2 LYS 46 60.794 -7.447 -8.781 339 2HB LYS 46 HB1 LYS 46 60.975 -7.607 -10.529 340 1HG LYS 46 HG2 LYS 46 61.580 -9.924 -10.339 341 2HG LYS 46 HG1 LYS 46 61.727 -9.803 -8.585 342 1HD LYS 46 HD2 LYS 46 59.386 -9.572 -8.291 343 2HD LYS 46 HD1 LYS 46 59.126 -9.205 -9.997 344 1HE LYS 46 HE2 LYS 46 59.929 -11.526 -10.545 345 2HE LYS 46 HE1 LYS 46 59.960 -11.868 -8.815 346 1HZ LYS 46 HZ1 LYS 46 57.882 -12.600 -9.563 347 2HZ LYS 46 HZ2 LYS 46 57.625 -11.213 -10.510 348 3HZ LYS 46 HZ3 LYS 46 57.565 -11.111 -8.815 349 H GLY 47 HN GLY 47 64.573 -5.864 -8.698 350 1HA GLY 47 HA2 GLY 47 65.077 -3.639 -9.206 351 2HA GLY 47 HA1 GLY 47 64.539 -4.031 -10.836 352 H ARG 48 HN ARG 48 62.453 -4.315 -8.031 353 HA ARG 48 HA ARG 48 60.824 -2.058 -9.127 354 1HB ARG 48 HB2 ARG 48 60.084 -4.704 -8.658 355 2HB ARG 48 HB1 ARG 48 59.446 -3.834 -7.261 356 1HG ARG 48 HG2 ARG 48 58.853 -2.156 -9.398 357 2HG ARG 48 HG1 ARG 48 58.559 -3.770 -10.045 358 1HD ARG 48 HD2 ARG 48 57.060 -4.297 -8.216 359 2HD ARG 48 HD1 ARG 48 57.458 -2.786 -7.398 360 HE ARG 48 HE ARG 48 56.486 -1.842 -9.740 361 1HH1 ARG 48 HH21 ARG 48 55.240 -4.680 -9.901 362 2HH1 ARG 48 HH22 ARG 48 53.647 -4.348 -9.308 363 1HH2 ARG 48 HH11 ARG 48 54.494 -1.252 -7.994 364 2HH2 ARG 48 HH12 ARG 48 53.224 -2.406 -8.229 365 H ARG 49 HN ARG 49 61.046 -0.267 -7.877 366 HA ARG 49 HA ARG 49 61.375 -0.660 -4.928 367 1HB ARG 49 HB2 ARG 49 62.342 1.757 -5.117 368 2HB ARG 49 HB1 ARG 49 63.352 0.403 -5.626 369 1HG ARG 49 HG2 ARG 49 62.692 0.755 -7.960 370 2HG ARG 49 HG1 ARG 49 61.621 2.070 -7.476 371 1HD ARG 49 HD2 ARG 49 63.645 3.232 -6.496 372 2HD ARG 49 HD1 ARG 49 64.641 1.989 -7.254 373 HE ARG 49 HE ARG 49 63.765 4.250 -8.617 374 1HH1 ARG 49 HH21 ARG 49 65.000 1.382 -9.449 375 2HH1 ARG 49 HH22 ARG 49 64.096 1.146 -10.908 376 1HH2 ARG 49 HH11 ARG 49 61.871 3.725 -10.259 377 2HH2 ARG 49 HH12 ARG 49 62.325 2.473 -11.366 378 H PHE 50 HN PHE 50 60.102 0.639 -3.555 379 HA PHE 50 HA PHE 50 58.337 2.695 -4.645 380 1HB PHE 50 HB2 PHE 50 56.321 1.302 -3.589 381 2HB PHE 50 HB1 PHE 50 56.800 1.086 -5.272 382 HD1 PHE 50 HD1 PHE 50 56.720 -1.156 -5.888 383 HD2 PHE 50 HD2 PHE 50 58.201 -0.105 -1.996 384 HE1 PHE 50 HE1 PHE 50 57.235 -3.540 -5.440 385 HE2 PHE 50 HE2 PHE 50 58.715 -2.490 -1.548 386 HZ PHE 50 HZ PHE 50 58.232 -4.207 -3.270 387 H CYS 51 HN CYS 51 56.999 3.665 -2.859 388 HA CYS 51 HA CYS 51 58.516 3.502 -0.314 389 1HB CYS 51 HB2 CYS 51 56.760 5.543 -1.623 390 2HB CYS 51 HB1 CYS 51 56.897 5.556 0.133 391 H ALA 52 HN ALA 52 57.330 3.375 1.723 392 HA ALA 52 HA ALA 52 54.552 2.325 1.496 393 1HB ALA 52 HB1 ALA 52 55.486 0.717 3.451 394 2HB ALA 52 HB2 ALA 52 56.962 0.896 2.503 395 3HB ALA 52 HB3 ALA 52 55.503 0.250 1.751 396 H ASN 53 HN ASN 53 53.550 2.194 3.769 397 HA ASN 53 HA ASN 53 54.026 4.737 5.107 398 1HB ASN 53 HB2 ASN 53 51.760 3.626 4.810 399 2HB ASN 53 HB1 ASN 53 52.254 2.472 6.050 400 1HD2 ASN 53 HD21 ASN 53 52.217 6.062 5.594 401 2HD2 ASN 53 HD22 ASN 53 51.727 6.400 7.184 402 HA PRO 54 HA PRO 54 56.948 3.054 7.987 403 1HB PRO 54 HB2 PRO 54 57.103 5.284 9.590 404 2HB PRO 54 HB1 PRO 54 57.926 5.141 8.026 405 1HG PRO 54 HG2 PRO 54 55.481 6.703 8.726 406 2HG PRO 54 HG1 PRO 54 56.679 7.002 7.456 407 1HD PRO 54 HD2 PRO 54 54.125 5.863 7.069 408 2HD PRO 54 HD1 PRO 54 55.464 5.832 5.901 409 H SER 55 HN SER 55 53.712 3.791 8.588 410 HA SER 55 HA SER 55 53.908 2.951 11.445 411 1HB SER 55 HB2 SER 55 51.995 4.625 9.896 412 2HB SER 55 HB1 SER 55 51.312 3.621 11.172 413 HG SER 55 HG SER 55 52.401 5.913 11.508 414 H ASP 56 HN ASP 56 53.568 1.553 8.506 415 HA ASP 56 HA ASP 56 51.250 -0.128 8.907 416 1HB ASP 56 HB2 ASP 56 52.301 0.297 6.677 417 2HB ASP 56 HB1 ASP 56 53.692 -0.660 7.189 418 H LYS 57 HN LYS 57 51.084 -1.953 10.130 419 HA LYS 57 HA LYS 57 53.113 -2.719 11.973 420 1HB LYS 57 HB2 LYS 57 50.643 -4.129 10.949 421 2HB LYS 57 HB1 LYS 57 51.697 -4.856 12.163 422 1HG LYS 57 HG2 LYS 57 51.160 -3.279 13.777 423 2HG LYS 57 HG1 LYS 57 50.763 -2.042 12.584 424 1HD LYS 57 HD2 LYS 57 48.606 -2.577 13.057 425 2HD LYS 57 HD1 LYS 57 48.896 -3.969 12.014 426 1HE LYS 57 HE2 LYS 57 49.581 -4.073 14.947 427 2HE LYS 57 HE1 LYS 57 47.942 -4.407 14.389 428 1HZ LYS 57 HZ1 LYS 57 50.426 -5.823 13.600 429 2HZ LYS 57 HZ2 LYS 57 48.923 -6.062 12.846 430 3HZ LYS 57 HZ3 LYS 57 49.125 -6.453 14.487 431 H GLN 58 HN GLN 58 52.261 -3.995 8.771 432 HA GLN 58 HA GLN 58 54.025 -6.252 8.846 433 1HB GLN 58 HB2 GLN 58 53.301 -4.694 6.358 434 2HB GLN 58 HB1 GLN 58 53.662 -6.415 6.494 435 1HG GLN 58 HG2 GLN 58 51.618 -6.436 8.140 436 2HG GLN 58 HG1 GLN 58 51.183 -4.934 7.323 437 1HE2 GLN 58 HE21 GLN 58 49.292 -6.594 6.720 438 2HE2 GLN 58 HE22 GLN 58 49.511 -7.427 5.257 439 H VAL 59 HN VAL 59 54.556 -2.847 8.240 440 HA VAL 59 HA VAL 59 57.142 -3.161 6.971 441 HB VAL 59 HB VAL 59 55.809 -0.831 8.373 442 1HG1 VAL 59 HG11 VAL 59 58.577 -1.175 7.302 443 2HG1 VAL 59 HG12 VAL 59 58.010 -0.185 8.647 444 3HG1 VAL 59 HG13 VAL 59 57.763 0.358 6.987 445 1HG2 VAL 59 HG21 VAL 59 56.562 -1.035 5.465 446 2HG2 VAL 59 HG22 VAL 59 55.291 -0.069 6.216 447 3HG2 VAL 59 HG23 VAL 59 55.090 -1.813 6.048 448 H GLN 60 HN GLN 60 56.124 -2.371 10.307 449 HA GLN 60 HA GLN 60 58.747 -2.202 11.405 450 1HB GLN 60 HB2 GLN 60 56.161 -3.088 12.723 451 2HB GLN 60 HB1 GLN 60 57.635 -2.643 13.584 452 1HG GLN 60 HG2 GLN 60 57.158 -0.533 11.783 453 2HG GLN 60 HG1 GLN 60 55.585 -0.921 12.481 454 1HE2 GLN 60 HE21 GLN 60 55.551 1.001 13.841 455 2HE2 GLN 60 HE22 GLN 60 56.584 1.163 15.179 456 H VAL 61 HN VAL 61 56.639 -4.968 10.776 457 HA VAL 61 HA VAL 61 58.249 -6.884 12.219 458 HB VAL 61 HB VAL 61 56.430 -7.432 9.858 459 1HG1 VAL 61 HG11 VAL 61 56.945 -9.160 12.278 460 2HG1 VAL 61 HG12 VAL 61 58.004 -9.221 10.869 461 3HG1 VAL 61 HG13 VAL 61 56.297 -9.635 10.708 462 1HG2 VAL 61 HG21 VAL 61 55.756 -6.182 12.295 463 2HG2 VAL 61 HG22 VAL 61 55.245 -7.861 12.467 464 3HG2 VAL 61 HG23 VAL 61 54.643 -6.890 11.124 465 H CYS 62 HN CYS 62 58.079 -5.913 8.790 466 HA CYS 62 HA CYS 62 60.068 -7.749 7.860 467 1HB CYS 62 HB2 CYS 62 58.624 -6.624 6.272 468 2HB CYS 62 HB1 CYS 62 59.201 -5.044 6.802 469 H MET 63 HN MET 63 60.274 -4.497 9.242 470 HA MET 63 HA MET 63 62.968 -3.903 8.668 471 1HB MET 63 HB2 MET 63 61.066 -3.160 10.845 472 2HB MET 63 HB1 MET 63 62.776 -2.814 11.107 473 1HG MET 63 HG2 MET 63 62.270 -2.016 8.463 474 2HG MET 63 HG1 MET 63 60.879 -1.449 9.387 475 1HE MET 63 HE1 MET 63 62.476 0.546 12.281 476 2HE MET 63 HE2 MET 63 62.139 -1.183 12.266 477 3HE MET 63 HE3 MET 63 60.996 -0.064 11.528 478 H ARG 64 HN ARG 64 61.648 -5.685 11.476 479 HA ARG 64 HA ARG 64 64.194 -6.260 12.653 480 1HB ARG 64 HB2 ARG 64 61.497 -7.619 12.837 481 2HB ARG 64 HB1 ARG 64 62.900 -8.181 13.747 482 1HG ARG 64 HG2 ARG 64 63.069 -6.138 14.954 483 2HG ARG 64 HG1 ARG 64 61.979 -5.305 13.845 484 1HD ARG 64 HD2 ARG 64 60.080 -6.444 14.670 485 2HD ARG 64 HD1 ARG 64 61.058 -7.693 15.441 486 HE ARG 64 HE ARG 64 61.656 -5.113 16.573 487 1HH1 ARG 64 HH21 ARG 64 59.037 -7.319 16.294 488 2HH1 ARG 64 HH22 ARG 64 58.532 -7.142 17.941 489 1HH2 ARG 64 HH11 ARG 64 61.129 -5.007 18.787 490 2HH2 ARG 64 HH12 ARG 64 59.715 -5.833 19.352 491 H MET 65 HN MET 65 62.669 -7.481 9.840 492 HA MET 65 HA MET 65 64.191 -10.017 9.888 493 1HB MET 65 HB2 MET 65 61.910 -10.099 9.017 494 2HB MET 65 HB1 MET 65 62.288 -8.842 7.838 495 1HG MET 65 HG2 MET 65 62.769 -10.566 6.443 496 2HG MET 65 HG1 MET 65 64.272 -10.686 7.358 497 1HE MET 65 HE1 MET 65 61.616 -13.887 6.495 498 2HE MET 65 HE2 MET 65 62.028 -12.366 5.708 499 3HE MET 65 HE3 MET 65 60.641 -12.442 6.792 500 H LEU 66 HN LEU 66 63.943 -7.108 7.815 501 HA LEU 66 HA LEU 66 66.282 -7.852 6.258 502 1HB LEU 66 HB2 LEU 66 64.734 -5.259 6.512 503 2HB LEU 66 HB1 LEU 66 66.080 -5.487 5.395 504 HG LEU 66 HG LEU 66 63.522 -7.114 5.446 505 1HD1 LEU 66 HD11 LEU 66 64.567 -5.254 3.298 506 2HD1 LEU 66 HD12 LEU 66 63.423 -4.739 4.538 507 3HD1 LEU 66 HD13 LEU 66 62.973 -6.002 3.392 508 1HD2 LEU 66 HD21 LEU 66 64.500 -8.031 3.289 509 2HD2 LEU 66 HD22 LEU 66 65.342 -8.534 4.754 510 3HD2 LEU 66 HD23 LEU 66 66.022 -7.263 3.738 511 H LYS 67 HN LYS 67 65.977 -6.776 9.391 512 HA LYS 67 HA LYS 67 67.983 -4.772 9.620 513 1HB LYS 67 HB2 LYS 67 68.028 -5.290 11.959 514 2HB LYS 67 HB1 LYS 67 66.368 -5.563 11.429 515 1HG LYS 67 HG2 LYS 67 66.621 -7.590 12.432 516 2HG LYS 67 HG1 LYS 67 67.484 -8.015 10.953 517 1HD LYS 67 HD2 LYS 67 69.071 -8.594 12.546 518 2HD LYS 67 HD1 LYS 67 69.538 -6.924 12.220 519 1HE LYS 67 HE2 LYS 67 67.446 -7.128 14.256 520 2HE LYS 67 HE1 LYS 67 68.925 -7.969 14.717 521 1HZ LYS 67 HZ1 LYS 67 68.925 -5.209 13.645 522 2HZ LYS 67 HZ2 LYS 67 70.187 -6.023 14.440 523 3HZ LYS 67 HZ3 LYS 67 68.806 -5.542 15.304 524 H LEU 68 HN LEU 68 70.165 -5.222 10.754 525 HA LEU 68 HA LEU 68 71.760 -6.884 9.060 526 1HB LEU 68 HB2 LEU 68 72.226 -5.405 11.628 527 2HB LEU 68 HB1 LEU 68 73.444 -6.551 11.068 528 HG LEU 68 HG LEU 68 72.314 -4.460 9.213 529 1HD1 LEU 68 HD11 LEU 68 74.678 -3.378 9.899 530 2HD1 LEU 68 HD12 LEU 68 74.276 -4.145 11.435 531 3HD1 LEU 68 HD13 LEU 68 73.179 -2.959 10.727 532 1HD2 LEU 68 HD21 LEU 68 75.051 -5.751 9.292 533 2HD2 LEU 68 HD22 LEU 68 74.294 -4.896 7.947 534 3HD2 LEU 68 HD23 LEU 68 73.689 -6.478 8.439 535 H ASP 69 HN ASP 69 71.350 -9.066 9.046 536 HA ASP 69 HA ASP 69 70.775 -10.485 11.563 537 1HB ASP 69 HB2 ASP 69 70.078 -10.900 8.899 538 2HB ASP 69 HB1 ASP 69 71.273 -12.157 9.217 539 H THR 70 HN THR 70 73.207 -10.834 8.949 540 HA THR 70 HA THR 70 75.232 -11.468 11.022 541 HB THR 70 HB THR 70 75.893 -13.336 9.159 542 HG1 THR 70 HG1 THR 70 73.145 -13.729 9.377 543 1HG2 THR 70 HG21 THR 70 75.722 -13.684 11.589 544 2HG2 THR 70 HG22 THR 70 74.910 -14.982 10.714 545 3HG2 THR 70 HG23 THR 70 73.963 -13.699 11.468 546 H ARG 71 HN ARG 71 74.972 -11.615 7.449 547 HA ARG 71 HA ARG 71 77.032 -9.468 7.305 548 1HB ARG 71 HB2 ARG 71 78.136 -11.718 7.101 549 2HB ARG 71 HB1 ARG 71 77.144 -12.021 5.673 550 1HG ARG 71 HG2 ARG 71 78.872 -11.070 4.541 551 2HG ARG 71 HG1 ARG 71 78.173 -9.549 5.097 552 1HD ARG 71 HD2 ARG 71 79.866 -10.788 7.129 553 2HD ARG 71 HD1 ARG 71 80.750 -10.451 5.640 554 HE ARG 71 HE ARG 71 79.106 -8.288 6.862 555 1HH1 ARG 71 HH21 ARG 71 82.099 -9.502 7.480 556 2HH1 ARG 71 HH22 ARG 71 82.998 -8.109 6.982 557 1HH2 ARG 71 HH11 ARG 71 80.268 -6.538 5.532 558 2HH2 ARG 71 HH12 ARG 71 81.962 -6.430 5.879 559 H ILE 72 HN ILE 72 75.004 -11.589 5.243 560 HA ILE 72 HA ILE 72 73.640 -11.052 3.412 561 HB ILE 72 HB ILE 72 73.593 -8.334 4.761 562 1HG1 ILE 72 HG12 ILE 72 71.682 -10.683 4.983 563 2HG1 ILE 72 HG11 ILE 72 72.862 -10.229 6.213 564 1HG2 ILE 72 HG21 ILE 72 72.139 -7.682 3.161 565 2HG2 ILE 72 HG22 ILE 72 71.220 -9.180 3.298 566 3HG2 ILE 72 HG23 ILE 72 72.635 -9.107 2.249 567 1HD1 ILE 72 HD11 ILE 72 70.616 -9.313 6.725 568 2HD1 ILE 72 HD12 ILE 72 70.634 -8.442 5.191 569 3HD1 ILE 72 HD13 ILE 72 71.795 -8.029 6.453 570 H LYS 73 HN LYS 73 74.617 -10.945 1.451 571 HA LYS 73 HA LYS 73 76.975 -9.491 0.868 572 1HB LYS 73 HB2 LYS 73 76.215 -9.816 -1.557 573 2HB LYS 73 HB1 LYS 73 76.385 -11.281 -0.592 574 1HG LYS 73 HG2 LYS 73 74.215 -11.774 -0.910 575 2HG LYS 73 HG1 LYS 73 73.740 -10.221 -0.222 576 1HD LYS 73 HD2 LYS 73 73.022 -9.654 -2.284 577 2HD LYS 73 HD1 LYS 73 74.720 -9.572 -2.754 578 1HE LYS 73 HE2 LYS 73 74.542 -11.429 -4.020 579 2HE LYS 73 HE1 LYS 73 73.768 -12.320 -2.710 580 1HZ LYS 73 HZ1 LYS 73 71.730 -10.897 -3.327 581 2HZ LYS 73 HZ2 LYS 73 72.127 -12.228 -4.305 582 3HZ LYS 73 HZ3 LYS 73 72.532 -10.654 -4.801 583 H THR 74 HN THR 74 77.325 -7.403 0.178 584 HA THR 74 HA THR 74 75.192 -5.761 -0.933 585 HB THR 74 HB THR 74 74.482 -5.489 1.332 586 HG1 THR 74 HG1 THR 74 74.575 -3.385 1.311 587 1HG2 THR 74 HG21 THR 74 76.170 -4.784 3.093 588 2HG2 THR 74 HG22 THR 74 77.433 -5.203 1.935 589 3HG2 THR 74 HG23 THR 74 76.328 -6.446 2.524 590 H ARG 75 HN ARG 75 76.027 -3.619 -1.566 591 HA ARG 75 HA ARG 75 78.604 -3.681 -2.695 592 1HB ARG 75 HB2 ARG 75 76.648 -1.517 -2.047 593 2HB ARG 75 HB1 ARG 75 78.293 -1.037 -2.467 594 1HG ARG 75 HG2 ARG 75 77.946 -2.764 -4.445 595 2HG ARG 75 HG1 ARG 75 76.240 -2.432 -4.144 596 1HD ARG 75 HD2 ARG 75 78.364 -0.338 -4.690 597 2HD ARG 75 HD1 ARG 75 77.157 -0.896 -5.848 598 HE ARG 75 HE ARG 75 76.580 0.724 -3.416 599 1HH1 ARG 75 HH21 ARG 75 76.164 1.224 -6.514 600 2HH1 ARG 75 HH22 ARG 75 74.433 1.178 -6.567 601 1HH2 ARG 75 HH11 ARG 75 74.109 -0.209 -3.406 602 2HH2 ARG 75 HH12 ARG 75 73.270 0.366 -4.807 603 H LYS 76 HN LYS 76 77.745 -1.541 0.046 604 HA LYS 76 HA LYS 76 80.104 -2.428 1.546 605 1HB LYS 76 HB2 LYS 76 81.155 -0.852 0.009 606 2HB LYS 76 HB1 LYS 76 79.946 0.374 0.394 607 1HG LYS 76 HG2 LYS 76 80.998 -0.481 2.871 608 2HG LYS 76 HG1 LYS 76 82.385 -0.262 1.803 609 1HD LYS 76 HD2 LYS 76 80.352 1.863 1.597 610 2HD LYS 76 HD1 LYS 76 81.150 1.771 3.168 611 1HE LYS 76 HE2 LYS 76 83.327 1.983 2.162 612 2HE LYS 76 HE1 LYS 76 82.656 1.805 0.541 613 1HZ LYS 76 HZ1 LYS 76 82.359 3.982 0.478 614 2HZ LYS 76 HZ2 LYS 76 82.956 4.146 2.060 615 3HZ LYS 76 HZ3 LYS 76 81.297 3.888 1.798 616 H ASN 77 HN ASN 77 77.788 0.296 1.270 617 HA ASN 77 HA ASN 77 76.359 1.222 2.885 618 1HB ASN 77 HB2 ASN 77 75.653 -1.184 3.103 619 2HB ASN 77 HB1 ASN 77 76.845 -1.363 4.391 620 1HD2 ASN 77 HD21 ASN 77 74.424 -1.855 5.366 621 2HD2 ASN 77 HD22 ASN 77 73.746 -0.527 6.177 Start of MODEL 14 1 1H MET 1 HT1 MET 1 42.061 -5.940 -14.254 2 2H MET 1 HT2 MET 1 43.110 -6.526 -13.052 3 3H MET 1 HT3 MET 1 43.725 -5.628 -14.357 4 HA MET 1 HA MET 1 42.725 -3.638 -13.604 5 1HB MET 1 HB2 MET 1 41.390 -3.780 -11.408 6 2HB MET 1 HB1 MET 1 40.590 -4.377 -12.862 7 1HG MET 1 HG2 MET 1 40.854 -6.616 -12.249 8 2HG MET 1 HG1 MET 1 42.210 -6.266 -11.178 9 1HE MET 1 HE1 MET 1 38.320 -6.650 -11.471 10 2HE MET 1 HE2 MET 1 38.723 -4.991 -11.904 11 3HE MET 1 HE3 MET 1 37.785 -5.310 -10.447 12 H ASP 2 HN ASP 2 45.098 -3.604 -13.323 13 HA ASP 2 HA ASP 2 46.071 -4.359 -10.626 14 1HB ASP 2 HB2 ASP 2 47.274 -3.963 -13.268 15 2HB ASP 2 HB1 ASP 2 48.187 -3.179 -11.978 16 H ARG 3 HN ARG 3 47.512 -2.687 -9.522 17 HA ARG 3 HA ARG 3 46.036 -0.296 -9.028 18 1HB ARG 3 HB2 ARG 3 48.334 -1.573 -7.960 19 2HB ARG 3 HB1 ARG 3 48.818 0.070 -8.381 20 1HG ARG 3 HG2 ARG 3 47.843 0.733 -6.458 21 2HG ARG 3 HG1 ARG 3 46.295 0.378 -7.225 22 1HD ARG 3 HD2 ARG 3 46.103 -1.699 -6.192 23 2HD ARG 3 HD1 ARG 3 47.845 -1.863 -5.972 24 HE ARG 3 HE ARG 3 47.516 -0.903 -3.857 25 1HH1 ARG 3 HH21 ARG 3 46.869 1.763 -5.217 26 2HH1 ARG 3 HH22 ARG 3 45.346 2.144 -4.484 27 1HH2 ARG 3 HH11 ARG 3 44.819 -1.068 -3.286 28 2HH2 ARG 3 HH12 ARG 3 44.186 0.541 -3.391 29 H PHE 4 HN PHE 4 47.423 1.920 -9.187 30 HA PHE 4 HA PHE 4 48.025 2.203 -12.092 31 1HB PHE 4 HB2 PHE 4 46.471 3.733 -10.312 32 2HB PHE 4 HB1 PHE 4 47.912 4.701 -10.625 33 HD1 PHE 4 HD1 PHE 4 45.518 2.504 -12.513 34 HD2 PHE 4 HD2 PHE 4 47.875 6.095 -12.486 35 HE1 PHE 4 HE1 PHE 4 44.632 3.103 -14.751 36 HE2 PHE 4 HE2 PHE 4 46.989 6.694 -14.724 37 HZ PHE 4 HZ PHE 4 45.367 5.197 -15.856 38 H HIS 5 HN HIS 5 49.975 3.175 -12.769 39 HA HIS 5 HA HIS 5 51.956 3.865 -10.660 40 1HB HIS 5 HB2 HIS 5 52.020 1.395 -11.833 41 2HB HIS 5 HB1 HIS 5 53.053 2.316 -12.926 42 HD1 HIS 5 HD1 HIS 5 52.977 0.780 -9.575 43 HD2 HIS 5 HD2 HIS 5 55.322 3.590 -11.571 44 HE1 HIS 5 HE1 HIS 5 55.096 1.043 -8.212 45 H ALA 6 HN ALA 6 53.250 5.583 -11.261 46 HA ALA 6 HA ALA 6 52.787 6.675 -13.999 47 1HB ALA 6 HB1 ALA 6 52.746 8.734 -13.058 48 2HB ALA 6 HB2 ALA 6 54.193 8.409 -12.103 49 3HB ALA 6 HB3 ALA 6 52.613 7.896 -11.512 50 H THR 7 HN THR 7 54.960 8.286 -14.332 51 HA THR 7 HA THR 7 57.209 6.319 -14.373 52 HB THR 7 HB THR 7 56.408 7.099 -16.594 53 HG1 THR 7 HG1 THR 7 58.918 8.241 -15.963 54 1HG2 THR 7 HG21 THR 7 55.589 9.243 -16.425 55 2HG2 THR 7 HG22 THR 7 57.220 9.620 -16.981 56 3HG2 THR 7 HG23 THR 7 56.824 9.735 -15.266 57 H SER 8 HN SER 8 56.357 8.347 -12.229 58 HA SER 8 HA SER 8 58.166 10.512 -12.108 59 1HB SER 8 HB2 SER 8 56.635 8.918 -10.122 60 2HB SER 8 HB1 SER 8 57.994 9.845 -9.494 61 HG SER 8 HG SER 8 57.020 11.615 -10.829 62 H ALA 9 HN ALA 9 60.354 10.575 -11.916 63 HA ALA 9 HA ALA 9 62.022 8.321 -12.024 64 1HB ALA 9 HB1 ALA 9 62.993 10.441 -12.520 65 2HB ALA 9 HB2 ALA 9 63.793 9.898 -11.045 66 3HB ALA 9 HB3 ALA 9 62.514 11.108 -10.959 67 H ASP 10 HN ASP 10 62.894 6.950 -10.489 68 HA ASP 10 HA ASP 10 63.029 7.529 -7.683 69 1HB ASP 10 HB2 ASP 10 60.450 6.979 -8.439 70 2HB ASP 10 HB1 ASP 10 61.037 5.375 -7.998 71 H CYS 11 HN CYS 11 64.724 6.404 -9.697 72 HA CYS 11 HA CYS 11 64.823 3.506 -9.193 73 1HB CYS 11 HB2 CYS 11 66.336 5.437 -10.921 74 2HB CYS 11 HB1 CYS 11 67.060 3.872 -10.549 75 H CYS 12 HN CYS 12 67.354 2.815 -8.814 76 HA CYS 12 HA CYS 12 68.044 4.104 -6.221 77 1HB CYS 12 HB2 CYS 12 68.430 1.384 -7.396 78 2HB CYS 12 HB1 CYS 12 69.635 1.957 -6.243 79 H ILE 13 HN ILE 13 70.152 4.883 -5.838 80 HA ILE 13 HA ILE 13 71.920 5.031 -8.249 81 HB ILE 13 HB ILE 13 71.531 7.173 -6.135 82 1HG1 ILE 13 HG12 ILE 13 70.836 7.852 -8.882 83 2HG1 ILE 13 HG11 ILE 13 69.859 6.512 -8.280 84 1HG2 ILE 13 HG21 ILE 13 73.022 7.251 -8.774 85 2HG2 ILE 13 HG22 ILE 13 73.798 7.031 -7.205 86 3HG2 ILE 13 HG23 ILE 13 72.947 8.533 -7.566 87 1HD1 ILE 13 HD11 ILE 13 70.211 9.226 -6.977 88 2HD1 ILE 13 HD12 ILE 13 69.366 7.871 -6.229 89 3HD1 ILE 13 HD13 ILE 13 68.740 8.591 -7.712 90 H SER 14 HN SER 14 71.783 5.148 -4.691 91 HA SER 14 HA SER 14 74.444 3.805 -4.657 92 1HB SER 14 HB2 SER 14 74.536 5.344 -2.391 93 2HB SER 14 HB1 SER 14 75.308 5.774 -3.915 94 HG SER 14 HG SER 14 73.695 7.138 -4.361 95 H TYR 15 HN TYR 15 74.606 2.209 -3.078 96 HA TYR 15 HA TYR 15 72.107 1.678 -1.546 97 1HB TYR 15 HB2 TYR 15 74.429 -0.104 -2.329 98 2HB TYR 15 HB1 TYR 15 73.121 -0.620 -1.263 99 HD1 TYR 15 HD1 TYR 15 73.546 1.134 -4.559 100 HD2 TYR 15 HD2 TYR 15 71.328 -1.725 -2.245 101 HE1 TYR 15 HE1 TYR 15 72.128 0.636 -6.533 102 HE2 TYR 15 HE2 TYR 15 69.911 -2.223 -4.218 103 HH TYR 15 HH TYR 15 69.321 -0.608 -6.509 104 H THR 16 HN THR 16 72.154 2.303 0.549 105 HA THR 16 HA THR 16 74.275 3.352 1.984 106 HB THR 16 HB THR 16 71.957 3.338 2.820 107 HG1 THR 16 HG1 THR 16 73.722 3.568 4.287 108 1HG2 THR 16 HG21 THR 16 70.853 1.402 3.542 109 2HG2 THR 16 HG22 THR 16 72.355 0.491 3.704 110 3HG2 THR 16 HG23 THR 16 71.704 0.842 2.103 111 HA PRO 17 HA PRO 17 76.725 -0.443 2.140 112 1HB PRO 17 HB2 PRO 17 79.107 0.878 2.512 113 2HB PRO 17 HB1 PRO 17 78.372 0.614 0.921 114 1HG PRO 17 HG2 PRO 17 78.514 3.121 2.529 115 2HG PRO 17 HG1 PRO 17 78.386 2.920 0.774 116 1HD PRO 17 HD2 PRO 17 76.266 3.596 2.523 117 2HD PRO 17 HD1 PRO 17 76.100 3.068 0.835 118 H ARG 18 HN ARG 18 75.292 -0.138 4.366 119 HA ARG 18 HA ARG 18 77.261 -0.479 6.518 120 1HB ARG 18 HB2 ARG 18 75.211 1.752 6.554 121 2HB ARG 18 HB1 ARG 18 76.041 1.173 7.998 122 1HG ARG 18 HG2 ARG 18 78.225 1.665 6.896 123 2HG ARG 18 HG1 ARG 18 77.347 2.346 5.526 124 1HD ARG 18 HD2 ARG 18 77.026 4.293 6.612 125 2HD ARG 18 HD1 ARG 18 76.370 3.457 8.020 126 HE ARG 18 HE ARG 18 79.301 3.889 7.589 127 1HH1 ARG 18 HH21 ARG 18 76.846 5.063 9.433 128 2HH1 ARG 18 HH22 ARG 18 77.515 4.633 10.972 129 1HH2 ARG 18 HH11 ARG 18 80.025 2.656 9.627 130 2HH2 ARG 18 HH12 ARG 18 79.314 3.270 11.081 131 H SER 19 HN SER 19 75.823 -0.814 8.679 132 HA SER 19 HA SER 19 73.974 -2.988 7.981 133 1HB SER 19 HB2 SER 19 75.347 -3.527 9.820 134 2HB SER 19 HB1 SER 19 75.151 -1.935 10.549 135 HG SER 19 HG SER 19 73.683 -2.975 11.667 136 H ILE 20 HN ILE 20 71.895 -2.468 7.509 137 HA ILE 20 HA ILE 20 70.681 -0.105 8.859 138 HB ILE 20 HB ILE 20 69.514 -1.642 6.536 139 1HG1 ILE 20 HG12 ILE 20 71.787 -0.938 5.911 140 2HG1 ILE 20 HG11 ILE 20 70.591 0.053 5.073 141 1HG2 ILE 20 HG21 ILE 20 67.975 0.027 6.470 142 2HG2 ILE 20 HG22 ILE 20 69.182 1.273 6.786 143 3HG2 ILE 20 HG23 ILE 20 68.490 0.357 8.124 144 1HD1 ILE 20 HD11 ILE 20 71.060 1.350 7.530 145 2HD1 ILE 20 HD12 ILE 20 71.592 1.876 5.933 146 3HD1 ILE 20 HD13 ILE 20 72.650 0.878 6.931 147 HA PRO 21 HA PRO 21 68.606 -3.387 11.171 148 1HB PRO 21 HB2 PRO 21 67.944 -1.749 13.279 149 2HB PRO 21 HB1 PRO 21 69.519 -2.544 13.112 150 1HG PRO 21 HG2 PRO 21 68.805 0.319 12.675 151 2HG PRO 21 HG1 PRO 21 70.360 -0.391 13.142 152 1HD PRO 21 HD2 PRO 21 69.665 0.509 10.552 153 2HD PRO 21 HD1 PRO 21 71.063 -0.509 10.963 154 H CYS 22 HN CYS 22 66.509 -3.890 10.662 155 HA CYS 22 HA CYS 22 64.668 -2.176 9.415 156 1HB CYS 22 HB2 CYS 22 64.626 -4.834 10.572 157 2HB CYS 22 HB1 CYS 22 63.111 -3.991 10.899 158 H SER 23 HN SER 23 65.447 -2.481 12.801 159 HA SER 23 HA SER 23 63.109 -1.418 13.984 160 1HB SER 23 HB2 SER 23 64.639 -2.115 15.578 161 2HB SER 23 HB1 SER 23 66.013 -1.441 14.707 162 HG SER 23 HG SER 23 64.416 -0.321 16.609 163 H LEU 24 HN LEU 24 65.454 0.099 11.948 164 HA LEU 24 HA LEU 24 64.349 2.783 12.660 165 1HB LEU 24 HB2 LEU 24 67.017 1.823 11.845 166 2HB LEU 24 HB1 LEU 24 66.485 3.283 11.009 167 HG LEU 24 HG LEU 24 65.753 3.945 13.512 168 1HD1 LEU 24 HD11 LEU 24 67.917 1.869 13.743 169 2HD1 LEU 24 HD12 LEU 24 66.486 2.099 14.748 170 3HD1 LEU 24 HD13 LEU 24 67.854 3.202 14.896 171 1HD2 LEU 24 HD21 LEU 24 67.699 5.333 13.572 172 2HD2 LEU 24 HD22 LEU 24 67.342 5.093 11.861 173 3HD2 LEU 24 HD23 LEU 24 68.639 4.177 12.629 174 H LEU 25 HN LEU 25 63.129 0.697 10.876 175 HA LEU 25 HA LEU 25 63.015 2.364 8.394 176 1HB LEU 25 HB2 LEU 25 62.782 -0.656 8.590 177 2HB LEU 25 HB1 LEU 25 62.647 0.295 7.110 178 HG LEU 25 HG LEU 25 65.095 0.185 8.898 179 1HD1 LEU 25 HD11 LEU 25 65.519 -1.739 7.793 180 2HD1 LEU 25 HD12 LEU 25 65.715 -0.755 6.342 181 3HD1 LEU 25 HD13 LEU 25 64.153 -1.491 6.704 182 1HD2 LEU 25 HD21 LEU 25 66.075 1.299 6.766 183 2HD2 LEU 25 HD22 LEU 25 65.108 2.303 7.846 184 3HD2 LEU 25 HD23 LEU 25 64.398 1.667 6.362 185 H GLU 26 HN GLU 26 60.989 3.109 7.974 186 HA GLU 26 HA GLU 26 58.745 2.069 9.596 187 1HB GLU 26 HB2 GLU 26 59.010 4.503 9.421 188 2HB GLU 26 HB1 GLU 26 58.908 4.402 7.663 189 1HG GLU 26 HG2 GLU 26 56.661 4.435 7.755 190 2HG GLU 26 HG1 GLU 26 56.660 3.029 8.820 191 H SER 27 HN SER 27 59.968 1.941 6.340 192 HA SER 27 HA SER 27 58.171 -0.171 5.601 193 1HB SER 27 HB2 SER 27 56.540 1.688 5.492 194 2HB SER 27 HB1 SER 27 57.595 2.544 4.372 195 HG SER 27 HG SER 27 55.946 1.320 3.319 196 H TYR 28 HN TYR 28 58.397 -0.605 3.140 197 HA TYR 28 HA TYR 28 60.766 0.607 1.891 198 1HB TYR 28 HB2 TYR 28 62.073 -1.402 1.762 199 2HB TYR 28 HB1 TYR 28 61.617 -1.211 3.455 200 HD1 TYR 28 HD1 TYR 28 61.911 -3.574 0.955 201 HD2 TYR 28 HD2 TYR 28 59.088 -2.224 3.898 202 HE1 TYR 28 HE1 TYR 28 60.802 -5.792 0.908 203 HE2 TYR 28 HE2 TYR 28 57.979 -4.442 3.851 204 HH TYR 28 HH TYR 28 57.906 -6.417 1.817 205 H PHE 29 HN PHE 29 61.083 -0.309 -0.344 206 HA PHE 29 HA PHE 29 58.954 -1.952 -1.471 207 1HB PHE 29 HB2 PHE 29 58.444 0.056 -3.135 208 2HB PHE 29 HB1 PHE 29 57.569 -0.098 -1.612 209 HD1 PHE 29 HD1 PHE 29 59.940 1.880 -3.532 210 HD2 PHE 29 HD2 PHE 29 58.304 1.236 0.388 211 HE1 PHE 29 HE1 PHE 29 60.808 4.087 -2.806 212 HE2 PHE 29 HE2 PHE 29 59.172 3.443 1.112 213 HZ PHE 29 HZ PHE 29 60.424 4.869 -0.485 214 H GLU 30 HN GLU 30 59.219 -1.852 -4.018 215 HA GLU 30 HA GLU 30 62.140 -2.044 -4.520 216 1HB GLU 30 HB2 GLU 30 59.690 -3.177 -5.850 217 2HB GLU 30 HB1 GLU 30 61.216 -3.096 -6.731 218 1HG GLU 30 HG2 GLU 30 61.407 -5.189 -5.739 219 2HG GLU 30 HG1 GLU 30 62.186 -4.178 -4.522 220 H THR 31 HN THR 31 62.960 -1.186 -6.614 221 HA THR 31 HA THR 31 61.813 1.482 -7.126 222 HB THR 31 HB THR 31 63.851 1.854 -8.447 223 HG1 THR 31 HG1 THR 31 65.118 0.238 -9.015 224 1HG2 THR 31 HG21 THR 31 65.384 0.724 -6.398 225 2HG2 THR 31 HG22 THR 31 63.808 1.018 -5.663 226 3HG2 THR 31 HG23 THR 31 64.691 2.346 -6.416 227 H ASN 32 HN ASN 32 62.212 1.999 -9.723 228 HA ASN 32 HA ASN 32 60.102 0.500 -11.033 229 1HB ASN 32 HB2 ASN 32 61.791 2.852 -11.643 230 2HB ASN 32 HB1 ASN 32 61.264 1.925 -13.048 231 1HD2 ASN 32 HD21 ASN 32 59.277 1.964 -10.138 232 2HD2 ASN 32 HD22 ASN 32 58.037 2.932 -10.774 233 H SER 33 HN SER 33 60.350 -1.363 -12.165 234 HA SER 33 HA SER 33 62.912 -2.623 -12.481 235 1HB SER 33 HB2 SER 33 60.139 -3.181 -13.497 236 2HB SER 33 HB1 SER 33 61.501 -4.093 -14.139 237 HG SER 33 HG SER 33 60.919 -5.231 -12.390 238 H GLU 34 HN GLU 34 61.419 -0.140 -14.234 239 HA GLU 34 HA GLU 34 62.280 -0.754 -16.898 240 1HB GLU 34 HB2 GLU 34 61.509 1.753 -15.440 241 2HB GLU 34 HB1 GLU 34 62.253 1.882 -17.034 242 1HG GLU 34 HG2 GLU 34 59.984 1.747 -17.580 243 2HG GLU 34 HG1 GLU 34 60.485 0.060 -17.704 244 H CYS 35 HN CYS 35 63.955 0.490 -14.096 245 HA CYS 35 HA CYS 35 66.210 1.612 -15.508 246 1HB CYS 35 HB2 CYS 35 65.514 0.963 -12.708 247 2HB CYS 35 HB1 CYS 35 67.237 0.897 -13.078 248 H SER 36 HN SER 36 68.454 0.624 -15.316 249 HA SER 36 HA SER 36 68.382 -2.092 -16.367 250 1HB SER 36 HB2 SER 36 70.757 -1.838 -16.670 251 2HB SER 36 HB1 SER 36 70.019 -0.292 -17.080 252 HG SER 36 HG SER 36 71.612 -1.018 -14.917 253 H LYS 37 HN LYS 37 69.406 -0.565 -13.329 254 HA LYS 37 HA LYS 37 69.597 -3.309 -12.153 255 1HB LYS 37 HB2 LYS 37 71.343 -0.888 -11.776 256 2HB LYS 37 HB1 LYS 37 71.210 -2.096 -10.497 257 1HG LYS 37 HG2 LYS 37 71.608 -3.734 -12.603 258 2HG LYS 37 HG1 LYS 37 72.475 -2.310 -13.179 259 1HD LYS 37 HD2 LYS 37 73.439 -2.357 -10.686 260 2HD LYS 37 HD1 LYS 37 73.066 -4.074 -10.845 261 1HE LYS 37 HE2 LYS 37 75.078 -4.236 -11.874 262 2HE LYS 37 HE1 LYS 37 74.271 -3.505 -13.261 263 1HZ LYS 37 HZ1 LYS 37 75.478 -1.682 -13.021 264 2HZ LYS 37 HZ2 LYS 37 76.372 -2.459 -11.803 265 3HZ LYS 37 HZ3 LYS 37 75.019 -1.515 -11.397 266 HA PRO 38 HA PRO 38 66.324 -1.275 -9.789 267 1HB PRO 38 HB2 PRO 38 65.160 -3.638 -9.000 268 2HB PRO 38 HB1 PRO 38 64.836 -2.859 -10.558 269 1HG PRO 38 HG2 PRO 38 66.492 -5.271 -9.973 270 2HG PRO 38 HG1 PRO 38 65.628 -4.836 -11.457 271 1HD PRO 38 HD2 PRO 38 68.408 -4.563 -11.027 272 2HD PRO 38 HD1 PRO 38 67.481 -3.818 -12.346 273 H GLY 39 HN GLY 39 65.536 -1.928 -7.400 274 1HA GLY 39 HA2 GLY 39 67.319 -3.346 -5.704 275 2HA GLY 39 HA1 GLY 39 67.690 -1.627 -5.642 276 H VAL 40 HN VAL 40 66.957 -2.170 -3.293 277 HA VAL 40 HA VAL 40 63.982 -1.901 -3.118 278 HB VAL 40 HB VAL 40 65.826 -2.777 -0.886 279 1HG1 VAL 40 HG11 VAL 40 63.733 -3.733 0.010 280 2HG1 VAL 40 HG12 VAL 40 62.858 -3.141 -1.403 281 3HG1 VAL 40 HG13 VAL 40 63.568 -1.998 -0.262 282 1HG2 VAL 40 HG21 VAL 40 64.592 -5.065 -1.696 283 2HG2 VAL 40 HG22 VAL 40 66.210 -4.596 -2.220 284 3HG2 VAL 40 HG23 VAL 40 64.818 -4.259 -3.249 285 H ILE 41 HN ILE 41 63.172 -0.084 -2.132 286 HA ILE 41 HA ILE 41 65.173 1.873 -1.093 287 HB ILE 41 HB ILE 41 62.355 2.275 -2.143 288 1HG1 ILE 41 HG12 ILE 41 64.789 3.557 -3.308 289 2HG1 ILE 41 HG11 ILE 41 64.543 1.839 -3.629 290 1HG2 ILE 41 HG21 ILE 41 64.320 4.449 -1.428 291 2HG2 ILE 41 HG22 ILE 41 63.209 3.798 -0.222 292 3HG2 ILE 41 HG23 ILE 41 62.578 4.576 -1.673 293 1HD1 ILE 41 HD11 ILE 41 62.599 2.199 -4.834 294 2HD1 ILE 41 HD12 ILE 41 63.470 3.685 -5.211 295 3HD1 ILE 41 HD13 ILE 41 62.216 3.689 -3.971 296 H PHE 42 HN PHE 42 65.305 1.699 1.102 297 HA PHE 42 HA PHE 42 62.866 1.007 2.642 298 1HB PHE 42 HB2 PHE 42 65.807 1.123 3.313 299 2HB PHE 42 HB1 PHE 42 64.579 0.991 4.572 300 HD1 PHE 42 HD1 PHE 42 65.971 -0.648 1.542 301 HD2 PHE 42 HD2 PHE 42 63.409 -1.057 4.965 302 HE1 PHE 42 HE1 PHE 42 65.802 -3.087 1.123 303 HE2 PHE 42 HE2 PHE 42 63.239 -3.496 4.547 304 HZ PHE 42 HZ PHE 42 64.435 -4.510 2.626 305 H LEU 43 HN LEU 43 61.741 2.550 3.735 306 HA LEU 43 HA LEU 43 62.896 5.291 3.830 307 1HB LEU 43 HB2 LEU 43 60.577 4.815 2.839 308 2HB LEU 43 HB1 LEU 43 60.053 4.501 4.494 309 HG LEU 43 HG LEU 43 61.597 6.983 4.214 310 1HD1 LEU 43 HD11 LEU 43 58.821 6.959 3.027 311 2HD1 LEU 43 HD12 LEU 43 60.255 6.770 2.019 312 3HD1 LEU 43 HD13 LEU 43 60.028 8.243 2.962 313 1HD2 LEU 43 HD21 LEU 43 60.042 7.756 5.792 314 2HD2 LEU 43 HD22 LEU 43 60.106 6.029 6.145 315 3HD2 LEU 43 HD23 LEU 43 58.769 6.688 5.203 316 H THR 44 HN THR 44 63.742 5.960 5.737 317 HA THR 44 HA THR 44 63.347 4.371 8.162 318 HB THR 44 HB THR 44 64.928 5.953 9.178 319 HG1 THR 44 HG1 THR 44 65.660 7.699 7.923 320 1HG2 THR 44 HG21 THR 44 66.709 5.063 8.082 321 2HG2 THR 44 HG22 THR 44 66.176 5.681 6.518 322 3HG2 THR 44 HG23 THR 44 65.482 4.192 7.162 323 H LYS 45 HN LYS 45 62.713 5.517 10.236 324 HA LYS 45 HA LYS 45 60.198 6.943 9.799 325 1HB LYS 45 HB2 LYS 45 60.560 5.244 11.630 326 2HB LYS 45 HB1 LYS 45 61.624 6.409 12.420 327 1HG LYS 45 HG2 LYS 45 59.331 7.883 11.815 328 2HG LYS 45 HG1 LYS 45 58.712 6.323 12.358 329 1HD LYS 45 HD2 LYS 45 60.923 7.590 13.927 330 2HD LYS 45 HD1 LYS 45 59.292 8.239 14.106 331 1HE LYS 45 HE2 LYS 45 58.443 6.012 14.685 332 2HE LYS 45 HE1 LYS 45 60.050 5.323 14.451 333 1HZ LYS 45 HZ1 LYS 45 59.440 7.473 16.402 334 2HZ LYS 45 HZ2 LYS 45 60.893 6.606 16.250 335 3HZ LYS 45 HZ3 LYS 45 59.487 5.825 16.799 336 H LYS 46 HN LYS 46 63.269 7.996 9.598 337 HA LYS 46 HA LYS 46 62.799 10.535 11.078 338 1HB LYS 46 HB2 LYS 46 65.155 8.962 10.356 339 2HB LYS 46 HB1 LYS 46 65.332 10.665 9.932 340 1HG LYS 46 HG2 LYS 46 65.379 11.331 12.107 341 2HG LYS 46 HG1 LYS 46 64.134 10.177 12.586 342 1HD LYS 46 HD2 LYS 46 66.961 9.335 11.912 343 2HD LYS 46 HD1 LYS 46 66.458 9.753 13.550 344 1HE LYS 46 HE2 LYS 46 64.465 8.029 12.790 345 2HE LYS 46 HE1 LYS 46 65.863 7.343 11.961 346 1HZ LYS 46 HZ1 LYS 46 66.014 6.362 14.011 347 2HZ LYS 46 HZ2 LYS 46 65.404 7.714 14.840 348 3HZ LYS 46 HZ3 LYS 46 66.997 7.723 14.248 349 H GLY 47 HN GLY 47 61.607 9.648 8.392 350 1HA GLY 47 HA2 GLY 47 60.962 10.782 6.453 351 2HA GLY 47 HA1 GLY 47 61.754 12.205 7.118 352 H ARG 48 HN ARG 48 63.509 9.213 6.729 353 HA ARG 48 HA ARG 48 64.908 10.389 4.361 354 1HB ARG 48 HB2 ARG 48 65.971 9.711 6.975 355 2HB ARG 48 HB1 ARG 48 66.759 8.761 5.714 356 1HG ARG 48 HG2 ARG 48 68.053 10.714 5.744 357 2HG ARG 48 HG1 ARG 48 66.908 11.042 4.442 358 1HD ARG 48 HD2 ARG 48 65.731 12.594 5.679 359 2HD ARG 48 HD1 ARG 48 66.108 11.812 7.214 360 HE ARG 48 HE ARG 48 68.281 12.908 7.183 361 1HH1 ARG 48 HH21 ARG 48 66.539 15.258 6.782 362 2HH1 ARG 48 HH22 ARG 48 67.219 16.009 5.377 363 1HH2 ARG 48 HH11 ARG 48 69.006 13.199 4.413 364 2HH2 ARG 48 HH12 ARG 48 68.615 14.843 4.036 365 H ARG 49 HN ARG 49 66.032 8.676 3.044 366 HA ARG 49 HA ARG 49 65.127 5.909 3.468 367 1HB ARG 49 HB2 ARG 49 64.200 5.915 1.040 368 2HB ARG 49 HB1 ARG 49 63.184 6.584 2.317 369 1HG ARG 49 HG2 ARG 49 64.022 8.857 1.763 370 2HG ARG 49 HG1 ARG 49 64.966 8.167 0.443 371 1HD ARG 49 HD2 ARG 49 62.131 7.370 0.430 372 2HD ARG 49 HD1 ARG 49 62.393 9.098 0.196 373 HE ARG 49 HE ARG 49 64.136 8.175 -1.599 374 1HH1 ARG 49 HH11 ARG 49 60.812 7.646 -1.038 375 2HH1 ARG 49 HH12 ARG 49 60.566 6.705 -2.472 376 1HH2 ARG 49 HH21 ARG 49 63.923 6.670 -3.343 377 2HH2 ARG 49 HH22 ARG 49 62.327 6.153 -3.777 378 H PHE 50 HN PHE 50 66.535 4.465 2.507 379 HA PHE 50 HA PHE 50 68.522 5.572 0.572 380 1HB PHE 50 HB2 PHE 50 70.106 3.846 1.826 381 2HB PHE 50 HB1 PHE 50 69.901 5.488 2.435 382 HD1 PHE 50 HD1 PHE 50 68.584 2.008 2.770 383 HD2 PHE 50 HD2 PHE 50 69.000 5.880 4.583 384 HE1 PHE 50 HE1 PHE 50 67.677 1.109 4.897 385 HE2 PHE 50 HE2 PHE 50 68.093 4.981 6.709 386 HZ PHE 50 HZ PHE 50 67.432 2.596 6.866 387 H CYS 51 HN CYS 51 69.515 3.871 -0.782 388 HA CYS 51 HA CYS 51 67.548 1.795 -1.444 389 1HB CYS 51 HB2 CYS 51 70.064 2.852 -2.695 390 2HB CYS 51 HB1 CYS 51 69.440 1.284 -3.201 391 H ALA 52 HN ALA 52 67.812 -0.395 -1.083 392 HA ALA 52 HA ALA 52 70.316 -1.218 0.337 393 1HB ALA 52 HB1 ALA 52 67.615 -2.521 0.713 394 2HB ALA 52 HB2 ALA 52 68.131 -1.150 1.696 395 3HB ALA 52 HB3 ALA 52 69.044 -2.659 1.737 396 H ASN 53 HN ASN 53 70.891 -3.526 -0.003 397 HA ASN 53 HA ASN 53 70.439 -4.278 -2.809 398 1HB ASN 53 HB2 ASN 53 72.699 -4.426 -1.767 399 2HB ASN 53 HB1 ASN 53 72.084 -5.662 -0.669 400 1HD2 ASN 53 HD21 ASN 53 72.442 -4.980 -4.188 401 2HD2 ASN 53 HD22 ASN 53 72.596 -6.610 -4.638 402 HA PRO 54 HA PRO 54 67.207 -7.103 -1.733 403 1HB PRO 54 HB2 PRO 54 67.056 -8.351 -4.181 404 2HB PRO 54 HB1 PRO 54 66.362 -6.754 -3.847 405 1HG PRO 54 HG2 PRO 54 68.834 -7.448 -5.370 406 2HG PRO 54 HG1 PRO 54 67.767 -6.044 -5.541 407 1HD PRO 54 HD2 PRO 54 70.265 -6.052 -4.232 408 2HD PRO 54 HD1 PRO 54 69.024 -4.789 -4.087 409 H SER 55 HN SER 55 70.404 -7.970 -2.633 410 HA SER 55 HA SER 55 69.906 -10.859 -2.159 411 1HB SER 55 HB2 SER 55 72.036 -9.270 -3.468 412 2HB SER 55 HB1 SER 55 72.586 -10.680 -2.569 413 HG SER 55 HG SER 55 70.928 -10.497 -4.816 414 H ASP 56 HN ASP 56 70.348 -8.230 -0.274 415 HA ASP 56 HA ASP 56 72.406 -9.311 1.522 416 1HB ASP 56 HB2 ASP 56 72.018 -6.839 1.162 417 2HB ASP 56 HB1 ASP 56 70.490 -7.018 2.024 418 H LYS 57 HN LYS 57 71.941 -10.853 3.011 419 HA LYS 57 HA LYS 57 69.460 -12.032 3.468 420 1HB LYS 57 HB2 LYS 57 71.957 -12.457 4.449 421 2HB LYS 57 HB1 LYS 57 71.172 -11.783 5.878 422 1HG LYS 57 HG2 LYS 57 69.692 -13.545 6.069 423 2HG LYS 57 HG1 LYS 57 69.689 -13.867 4.335 424 1HD LYS 57 HD2 LYS 57 72.200 -14.314 5.925 425 2HD LYS 57 HD1 LYS 57 70.923 -15.531 5.946 426 1HE LYS 57 HE2 LYS 57 70.989 -15.234 3.333 427 2HE LYS 57 HE1 LYS 57 72.602 -14.592 3.641 428 1HZ LYS 57 HZ1 LYS 57 72.937 -16.857 3.346 429 2HZ LYS 57 HZ2 LYS 57 71.547 -17.288 4.224 430 3HZ LYS 57 HZ3 LYS 57 72.915 -16.688 5.034 431 H GLN 58 HN GLN 58 70.850 -9.204 5.110 432 HA GLN 58 HA GLN 58 68.847 -8.882 7.098 433 1HB GLN 58 HB2 GLN 58 70.939 -7.221 5.874 434 2HB GLN 58 HB1 GLN 58 69.540 -6.294 6.416 435 1HG GLN 58 HG2 GLN 58 69.734 -7.144 8.652 436 2HG GLN 58 HG1 GLN 58 70.926 -8.346 8.156 437 1HE2 GLN 58 HE21 GLN 58 70.801 -5.544 9.831 438 2HE2 GLN 58 HE22 GLN 58 72.303 -4.868 9.419 439 H VAL 59 HN VAL 59 68.870 -8.068 3.674 440 HA VAL 59 HA VAL 59 66.454 -6.447 3.808 441 HB VAL 59 HB VAL 59 68.000 -7.707 1.534 442 1HG1 VAL 59 HG11 VAL 59 65.936 -7.711 0.509 443 2HG1 VAL 59 HG12 VAL 59 66.359 -6.018 0.251 444 3HG1 VAL 59 HG13 VAL 59 65.287 -6.467 1.577 445 1HG2 VAL 59 HG21 VAL 59 69.145 -5.771 1.672 446 2HG2 VAL 59 HG22 VAL 59 68.111 -5.234 2.996 447 3HG2 VAL 59 HG23 VAL 59 67.657 -4.890 1.327 448 H GLN 60 HN GLN 60 67.213 -9.824 3.008 449 HA GLN 60 HA GLN 60 64.485 -10.495 2.290 450 1HB GLN 60 HB2 GLN 60 66.794 -12.265 3.158 451 2HB GLN 60 HB1 GLN 60 65.280 -12.844 2.462 452 1HG GLN 60 HG2 GLN 60 66.085 -10.897 0.663 453 2HG GLN 60 HG1 GLN 60 67.606 -11.658 1.131 454 1HE2 GLN 60 HE21 GLN 60 64.322 -12.446 -0.096 455 2HE2 GLN 60 HE22 GLN 60 64.788 -13.884 -0.867 456 H VAL 61 HN VAL 61 66.397 -10.602 5.263 457 HA VAL 61 HA VAL 61 64.350 -12.001 6.785 458 HB VAL 61 HB VAL 61 66.804 -10.418 7.587 459 1HG1 VAL 61 HG11 VAL 61 65.675 -10.176 9.562 460 2HG1 VAL 61 HG12 VAL 61 66.167 -11.853 9.797 461 3HG1 VAL 61 HG13 VAL 61 64.550 -11.484 9.197 462 1HG2 VAL 61 HG21 VAL 61 67.585 -12.436 6.754 463 2HG2 VAL 61 HG22 VAL 61 66.103 -13.298 7.165 464 3HG2 VAL 61 HG23 VAL 61 67.272 -12.903 8.426 465 H CYS 62 HN CYS 62 64.953 -8.706 5.876 466 HA CYS 62 HA CYS 62 63.354 -7.516 8.000 467 1HB CYS 62 HB2 CYS 62 64.864 -6.590 5.656 468 2HB CYS 62 HB1 CYS 62 63.383 -5.675 5.940 469 H MET 63 HN MET 63 62.790 -8.507 4.637 470 HA MET 63 HA MET 63 60.249 -7.403 4.210 471 1HB MET 63 HB2 MET 63 59.890 -9.138 2.589 472 2HB MET 63 HB1 MET 63 61.620 -8.794 2.581 473 1HG MET 63 HG2 MET 63 61.870 -11.032 2.863 474 2HG MET 63 HG1 MET 63 61.431 -10.715 4.541 475 1HE MET 63 HE1 MET 63 60.308 -13.761 4.161 476 2HE MET 63 HE2 MET 63 61.437 -13.130 2.965 477 3HE MET 63 HE3 MET 63 59.917 -13.846 2.438 478 H ARG 64 HN ARG 64 61.184 -10.048 6.303 479 HA ARG 64 HA ARG 64 58.428 -10.952 6.724 480 1HB ARG 64 HB2 ARG 64 60.728 -12.263 6.986 481 2HB ARG 64 HB1 ARG 64 60.641 -11.621 8.627 482 1HG ARG 64 HG2 ARG 64 58.864 -12.936 9.188 483 2HG ARG 64 HG1 ARG 64 58.124 -12.786 7.594 484 1HD ARG 64 HD2 ARG 64 58.867 -15.099 7.978 485 2HD ARG 64 HD1 ARG 64 59.801 -14.360 6.677 486 HE ARG 64 HE ARG 64 61.466 -13.863 8.695 487 1HH1 ARG 64 HH21 ARG 64 61.641 -16.445 7.046 488 2HH1 ARG 64 HH22 ARG 64 61.771 -17.626 8.306 489 1HH2 ARG 64 HH11 ARG 64 60.712 -15.465 10.803 490 2HH2 ARG 64 HH12 ARG 64 61.245 -17.071 10.434 491 H MET 65 HN MET 65 60.826 -9.001 8.479 492 HA MET 65 HA MET 65 59.284 -8.621 10.854 493 1HB MET 65 HB2 MET 65 61.765 -8.020 10.384 494 2HB MET 65 HB1 MET 65 61.124 -6.516 9.721 495 1HG MET 65 HG2 MET 65 60.058 -5.968 11.822 496 2HG MET 65 HG1 MET 65 60.468 -7.547 12.494 497 1HE MET 65 HE1 MET 65 63.819 -7.642 11.227 498 2HE MET 65 HE2 MET 65 62.671 -8.487 12.262 499 3HE MET 65 HE3 MET 65 64.076 -7.701 12.977 500 H LEU 66 HN LEU 66 59.744 -6.332 8.129 501 HA LEU 66 HA LEU 66 57.499 -4.700 8.986 502 1HB LEU 66 HB2 LEU 66 59.292 -4.758 6.568 503 2HB LEU 66 HB1 LEU 66 57.846 -3.749 6.572 504 HG LEU 66 HG LEU 66 59.478 -3.547 9.022 505 1HD1 LEU 66 HD11 LEU 66 60.545 -2.120 6.607 506 2HD1 LEU 66 HD12 LEU 66 61.071 -3.772 6.929 507 3HD1 LEU 66 HD13 LEU 66 61.358 -2.507 8.123 508 1HD2 LEU 66 HD21 LEU 66 58.752 -1.325 8.948 509 2HD2 LEU 66 HD22 LEU 66 57.436 -2.153 8.116 510 3HD2 LEU 66 HD23 LEU 66 58.672 -1.306 7.186 511 H LYS 67 HN LYS 67 56.055 -6.735 9.055 512 HA LYS 67 HA LYS 67 55.198 -8.067 6.708 513 1HB LYS 67 HB2 LYS 67 52.972 -8.265 8.076 514 2HB LYS 67 HB1 LYS 67 54.432 -9.038 8.696 515 1HG LYS 67 HG2 LYS 67 54.121 -6.220 9.503 516 2HG LYS 67 HG1 LYS 67 52.874 -7.297 10.133 517 1HD LYS 67 HD2 LYS 67 55.418 -8.606 10.355 518 2HD LYS 67 HD1 LYS 67 55.543 -6.997 11.067 519 1HE LYS 67 HE2 LYS 67 53.577 -7.428 12.460 520 2HE LYS 67 HE1 LYS 67 53.371 -9.012 11.712 521 1HZ LYS 67 HZ1 LYS 67 54.991 -8.322 13.885 522 2HZ LYS 67 HZ2 LYS 67 56.011 -8.797 12.612 523 3HZ LYS 67 HZ3 LYS 67 54.794 -9.845 13.166 524 H LEU 68 HN LEU 68 52.507 -6.371 8.060 525 HA LEU 68 HA LEU 68 52.130 -5.005 5.457 526 1HB LEU 68 HB2 LEU 68 50.361 -5.955 7.643 527 2HB LEU 68 HB1 LEU 68 49.863 -4.463 6.844 528 HG LEU 68 HG LEU 68 50.766 -6.444 4.915 529 1HD1 LEU 68 HD11 LEU 68 49.319 -7.491 7.128 530 2HD1 LEU 68 HD12 LEU 68 49.714 -8.306 5.615 531 3HD1 LEU 68 HD13 LEU 68 48.199 -7.416 5.767 532 1HD2 LEU 68 HD21 LEU 68 49.029 -5.557 3.703 533 2HD2 LEU 68 HD22 LEU 68 49.147 -4.279 4.913 534 3HD2 LEU 68 HD23 LEU 68 47.934 -5.548 5.086 535 H ASP 69 HN ASP 69 53.869 -4.191 7.947 536 HA ASP 69 HA ASP 69 52.744 -1.750 8.951 537 1HB ASP 69 HB2 ASP 69 54.651 -2.974 10.010 538 2HB ASP 69 HB1 ASP 69 55.676 -2.471 8.665 539 H THR 70 HN THR 70 53.896 -2.551 5.872 540 HA THR 70 HA THR 70 54.935 0.108 5.203 541 HB THR 70 HB THR 70 55.217 -0.776 2.968 542 HG1 THR 70 HG1 THR 70 54.272 -2.699 2.369 543 1HG2 THR 70 HG21 THR 70 55.798 -2.802 5.139 544 2HG2 THR 70 HG22 THR 70 56.888 -1.570 4.502 545 3HG2 THR 70 HG23 THR 70 56.421 -2.940 3.494 546 H ARG 71 HN ARG 71 53.047 1.386 5.793 547 HA ARG 71 HA ARG 71 50.802 1.122 3.830 548 1HB ARG 71 HB2 ARG 71 50.602 1.003 6.565 549 2HB ARG 71 HB1 ARG 71 50.312 2.717 6.263 550 1HG ARG 71 HG2 ARG 71 48.900 1.126 4.310 551 2HG ARG 71 HG1 ARG 71 48.476 0.596 5.938 552 1HD ARG 71 HD2 ARG 71 47.192 2.419 6.220 553 2HD ARG 71 HD1 ARG 71 48.580 3.461 5.910 554 HE ARG 71 HE ARG 71 47.546 2.453 3.427 555 1HH1 ARG 71 HH21 ARG 71 45.577 3.754 5.703 556 2HH1 ARG 71 HH22 ARG 71 45.238 5.236 4.872 557 1HH2 ARG 71 HH11 ARG 71 47.688 4.756 2.466 558 2HH2 ARG 71 HH12 ARG 71 46.433 5.803 3.040 559 H ILE 72 HN ILE 72 49.620 3.515 3.935 560 HA ILE 72 HA ILE 72 49.820 5.687 3.063 561 HB ILE 72 HB ILE 72 52.277 5.689 4.843 562 1HG1 ILE 72 HG12 ILE 72 49.583 6.811 5.574 563 2HG1 ILE 72 HG11 ILE 72 49.896 5.088 5.786 564 1HG2 ILE 72 HG21 ILE 72 50.772 7.780 3.326 565 2HG2 ILE 72 HG22 ILE 72 52.501 7.659 3.654 566 3HG2 ILE 72 HG23 ILE 72 51.400 8.208 4.918 567 1HD1 ILE 72 HD11 ILE 72 51.967 5.706 7.086 568 2HD1 ILE 72 HD12 ILE 72 50.459 6.193 7.860 569 3HD1 ILE 72 HD13 ILE 72 51.441 7.388 7.012 570 H LYS 73 HN LYS 73 50.288 5.312 0.880 571 HA LYS 73 HA LYS 73 53.166 4.996 0.157 572 1HB LYS 73 HB2 LYS 73 51.163 3.467 -0.700 573 2HB LYS 73 HB1 LYS 73 50.971 4.777 -1.866 574 1HG LYS 73 HG2 LYS 73 52.762 4.074 -3.033 575 2HG LYS 73 HG1 LYS 73 53.768 4.098 -1.584 576 1HD LYS 73 HD2 LYS 73 53.622 1.858 -1.328 577 2HD LYS 73 HD1 LYS 73 51.877 1.869 -1.587 578 1HE LYS 73 HE2 LYS 73 53.543 2.396 -3.986 579 2HE LYS 73 HE1 LYS 73 53.623 0.758 -3.337 580 1HZ LYS 73 HZ1 LYS 73 50.989 2.002 -3.608 581 2HZ LYS 73 HZ2 LYS 73 51.442 0.372 -3.773 582 3HZ LYS 73 HZ3 LYS 73 51.762 1.476 -5.024 583 H THR 74 HN THR 74 50.720 7.317 0.360 584 HA THR 74 HA THR 74 52.172 9.047 -1.605 585 HB THR 74 HB THR 74 50.171 9.948 -2.382 586 HG1 THR 74 HG1 THR 74 48.631 8.895 -0.300 587 1HG2 THR 74 HG21 THR 74 50.178 7.646 -3.089 588 2HG2 THR 74 HG22 THR 74 48.525 8.045 -2.620 589 3HG2 THR 74 HG23 THR 74 49.550 7.111 -1.530 590 H ARG 75 HN ARG 75 51.829 11.448 -1.045 591 HA ARG 75 HA ARG 75 52.732 11.922 1.634 592 1HB ARG 75 HB2 ARG 75 52.041 13.550 -0.732 593 2HB ARG 75 HB1 ARG 75 51.809 14.367 0.814 594 1HG ARG 75 HG2 ARG 75 54.082 14.778 0.098 595 2HG ARG 75 HG1 ARG 75 54.139 13.652 1.455 596 1HD ARG 75 HD2 ARG 75 55.170 12.117 0.178 597 2HD ARG 75 HD1 ARG 75 53.841 12.160 -0.982 598 HE ARG 75 HE ARG 75 55.189 14.362 -1.741 599 1HH1 ARG 75 HH11 ARG 75 55.635 11.194 -2.361 600 2HH1 ARG 75 HH12 ARG 75 57.341 11.260 -2.651 601 1HH2 ARG 75 HH21 ARG 75 57.691 14.488 -1.433 602 2HH2 ARG 75 HH22 ARG 75 58.505 13.125 -2.125 603 H LYS 76 HN LYS 76 49.769 13.342 0.226 604 HA LYS 76 HA LYS 76 48.071 12.272 2.327 605 1HB LYS 76 HB2 LYS 76 49.492 14.239 3.341 606 2HB LYS 76 HB1 LYS 76 48.374 15.260 2.437 607 1HG LYS 76 HG2 LYS 76 46.811 14.976 4.027 608 2HG LYS 76 HG1 LYS 76 46.854 13.232 3.767 609 1HD LYS 76 HD2 LYS 76 49.203 13.821 5.196 610 2HD LYS 76 HD1 LYS 76 47.936 14.772 5.972 611 1HE LYS 76 HE2 LYS 76 47.920 12.633 7.050 612 2HE LYS 76 HE1 LYS 76 46.519 12.657 5.980 613 1HZ LYS 76 HZ1 LYS 76 47.707 11.405 4.358 614 2HZ LYS 76 HZ2 LYS 76 47.859 10.596 5.845 615 3HZ LYS 76 HZ3 LYS 76 49.154 11.513 5.237 616 H ASN 77 HN ASN 77 48.513 14.852 -0.090 617 HA ASN 77 HA ASN 77 45.967 14.077 -1.341 618 1HB ASN 77 HB2 ASN 77 45.988 16.171 0.545 619 2HB ASN 77 HB1 ASN 77 45.950 16.958 -1.034 620 1HD2 ASN 77 HD21 ASN 77 43.688 16.898 0.818 621 2HD2 ASN 77 HD22 ASN 77 42.442 16.032 0.058 Start of MODEL 15 1 1H MET 1 HT1 MET 1 41.960 -14.163 -3.958 2 2H MET 1 HT2 MET 1 41.408 -15.565 -4.743 3 3H MET 1 HT3 MET 1 43.015 -15.050 -4.946 4 HA MET 1 HA MET 1 42.731 -15.300 -2.234 5 1HB MET 1 HB2 MET 1 40.618 -16.670 -3.205 6 2HB MET 1 HB1 MET 1 41.853 -17.924 -3.330 7 1HG MET 1 HG2 MET 1 41.062 -18.242 -1.152 8 2HG MET 1 HG1 MET 1 42.459 -17.199 -0.885 9 1HE MET 1 HE1 MET 1 39.054 -17.819 0.240 10 2HE MET 1 HE2 MET 1 38.699 -17.457 -1.448 11 3HE MET 1 HE3 MET 1 38.070 -16.409 -0.178 12 H ASP 2 HN ASP 2 44.344 -16.888 -1.462 13 HA ASP 2 HA ASP 2 46.471 -17.867 -1.642 14 1HB ASP 2 HB2 ASP 2 45.215 -18.831 -4.229 15 2HB ASP 2 HB1 ASP 2 46.742 -19.433 -3.584 16 H ARG 3 HN ARG 3 47.107 -15.474 -1.946 17 HA ARG 3 HA ARG 3 47.782 -14.572 -4.618 18 1HB ARG 3 HB2 ARG 3 47.767 -13.475 -1.978 19 2HB ARG 3 HB1 ARG 3 49.380 -13.243 -2.654 20 1HG ARG 3 HG2 ARG 3 48.465 -11.430 -3.674 21 2HG ARG 3 HG1 ARG 3 47.790 -12.610 -4.799 22 1HD ARG 3 HD2 ARG 3 45.747 -11.886 -4.179 23 2HD ARG 3 HD1 ARG 3 46.041 -12.643 -2.614 24 HE ARG 3 HE ARG 3 46.990 -9.857 -3.047 25 1HH1 ARG 3 HH21 ARG 3 46.917 -11.333 -0.377 26 2HH1 ARG 3 HH22 ARG 3 45.516 -10.626 0.356 27 1HH2 ARG 3 HH11 ARG 3 44.312 -9.291 -2.609 28 2HH2 ARG 3 HH12 ARG 3 44.041 -9.470 -0.908 29 H PHE 4 HN PHE 4 50.166 -13.973 -5.098 30 HA PHE 4 HA PHE 4 51.776 -16.418 -4.669 31 1HB PHE 4 HB2 PHE 4 51.816 -14.136 -6.601 32 2HB PHE 4 HB1 PHE 4 53.336 -14.973 -6.282 33 HD1 PHE 4 HD1 PHE 4 53.789 -17.083 -7.248 34 HD2 PHE 4 HD2 PHE 4 49.781 -15.536 -7.277 35 HE1 PHE 4 HE1 PHE 4 53.084 -18.936 -8.737 36 HE2 PHE 4 HE2 PHE 4 49.077 -17.390 -8.766 37 HZ PHE 4 HZ PHE 4 50.728 -19.090 -9.495 38 H HIS 5 HN HIS 5 53.591 -16.460 -3.390 39 HA HIS 5 HA HIS 5 54.618 -13.856 -2.352 40 1HB HIS 5 HB2 HIS 5 54.928 -15.007 -0.126 41 2HB HIS 5 HB1 HIS 5 53.242 -14.750 -0.575 42 HD1 HIS 5 HD1 HIS 5 55.881 -17.473 -0.504 43 HD2 HIS 5 HD2 HIS 5 51.746 -17.096 -0.882 44 HE1 HIS 5 HE1 HIS 5 54.935 -19.821 -0.402 45 H ALA 6 HN ALA 6 55.219 -17.325 -2.847 46 HA ALA 6 HA ALA 6 57.228 -18.484 -3.207 47 1HB ALA 6 HB1 ALA 6 58.259 -15.807 -4.180 48 2HB ALA 6 HB2 ALA 6 57.205 -16.840 -5.145 49 3HB ALA 6 HB3 ALA 6 58.805 -17.411 -4.670 50 H THR 7 HN THR 7 59.846 -17.949 -2.881 51 HA THR 7 HA THR 7 60.044 -17.489 0.003 52 HB THR 7 HB THR 7 62.429 -18.055 -0.319 53 HG1 THR 7 HG1 THR 7 63.230 -18.339 -2.340 54 1HG2 THR 7 HG21 THR 7 60.447 -19.774 -0.354 55 2HG2 THR 7 HG22 THR 7 62.072 -20.315 -0.776 56 3HG2 THR 7 HG23 THR 7 60.898 -19.974 -2.047 57 H SER 8 HN SER 8 59.427 -15.215 0.060 58 HA SER 8 HA SER 8 60.984 -13.228 -1.378 59 1HB SER 8 HB2 SER 8 58.894 -13.170 0.770 60 2HB SER 8 HB1 SER 8 59.858 -11.725 0.483 61 HG SER 8 HG SER 8 57.766 -12.484 -0.849 62 H ALA 9 HN ALA 9 61.608 -15.143 1.340 63 HA ALA 9 HA ALA 9 63.083 -13.306 2.976 64 1HB ALA 9 HB1 ALA 9 63.008 -16.292 2.671 65 2HB ALA 9 HB2 ALA 9 62.605 -15.305 4.076 66 3HB ALA 9 HB3 ALA 9 64.293 -15.556 3.630 67 H ASP 10 HN ASP 10 64.813 -12.173 2.235 68 HA ASP 10 HA ASP 10 67.083 -13.599 1.072 69 1HB ASP 10 HB2 ASP 10 65.540 -13.155 -0.889 70 2HB ASP 10 HB1 ASP 10 65.773 -11.432 -0.591 71 H CYS 11 HN CYS 11 68.749 -12.686 2.164 72 HA CYS 11 HA CYS 11 68.494 -9.912 3.152 73 1HB CYS 11 HB2 CYS 11 70.867 -11.732 3.563 74 2HB CYS 11 HB1 CYS 11 70.309 -10.409 4.588 75 H CYS 12 HN CYS 12 70.345 -8.400 2.823 76 HA CYS 12 HA CYS 12 71.432 -8.711 0.063 77 1HB CYS 12 HB2 CYS 12 70.662 -6.378 1.763 78 2HB CYS 12 HB1 CYS 12 71.974 -6.153 0.607 79 H ILE 13 HN ILE 13 73.604 -8.962 -0.216 80 HA ILE 13 HA ILE 13 75.316 -8.941 2.202 81 HB ILE 13 HB ILE 13 75.464 -10.892 0.717 82 1HG1 ILE 13 HG12 ILE 13 78.041 -9.736 -0.012 83 2HG1 ILE 13 HG11 ILE 13 77.603 -9.349 1.653 84 1HG2 ILE 13 HG21 ILE 13 74.808 -9.861 -1.384 85 2HG2 ILE 13 HG22 ILE 13 76.412 -10.565 -1.582 86 3HG2 ILE 13 HG23 ILE 13 76.234 -8.825 -1.364 87 1HD1 ILE 13 HD11 ILE 13 78.746 -11.443 1.759 88 2HD1 ILE 13 HD12 ILE 13 77.842 -12.085 0.387 89 3HD1 ILE 13 HD13 ILE 13 77.033 -11.825 1.933 90 H SER 14 HN SER 14 74.492 -6.897 -0.380 91 HA SER 14 HA SER 14 76.474 -4.927 0.438 92 1HB SER 14 HB2 SER 14 77.245 -6.717 -1.590 93 2HB SER 14 HB1 SER 14 76.793 -5.236 -2.429 94 HG SER 14 HG SER 14 78.786 -4.748 -1.844 95 H TYR 15 HN TYR 15 75.677 -2.889 -0.011 96 HA TYR 15 HA TYR 15 73.105 -2.782 -1.491 97 1HB TYR 15 HB2 TYR 15 74.330 -0.447 -0.047 98 2HB TYR 15 HB1 TYR 15 72.627 -0.828 -0.296 99 HD1 TYR 15 HD1 TYR 15 74.716 -0.439 2.262 100 HD2 TYR 15 HD2 TYR 15 72.397 -3.607 0.522 101 HE1 TYR 15 HE1 TYR 15 74.656 -1.597 4.454 102 HE2 TYR 15 HE2 TYR 15 72.337 -4.766 2.714 103 HH TYR 15 HH TYR 15 73.075 -3.301 5.588 104 H THR 16 HN THR 16 72.840 -0.596 -2.755 105 HA THR 16 HA THR 16 75.011 -0.529 -4.730 106 HB THR 16 HB THR 16 72.544 -0.485 -5.322 107 HG1 THR 16 HG1 THR 16 73.869 0.153 -6.915 108 1HG2 THR 16 HG21 THR 16 72.681 2.437 -4.604 109 2HG2 THR 16 HG22 THR 16 72.120 1.242 -3.435 110 3HG2 THR 16 HG23 THR 16 71.260 1.455 -4.960 111 HA PRO 17 HA PRO 17 76.777 2.999 -2.620 112 1HB PRO 17 HB2 PRO 17 78.984 3.173 -4.250 113 2HB PRO 17 HB1 PRO 17 78.840 2.012 -2.918 114 1HG PRO 17 HG2 PRO 17 78.638 1.533 -5.854 115 2HG PRO 17 HG1 PRO 17 79.117 0.416 -4.565 116 1HD PRO 17 HD2 PRO 17 76.588 0.497 -5.839 117 2HD PRO 17 HD1 PRO 17 76.980 -0.383 -4.346 118 H ARG 18 HN ARG 18 74.802 4.126 -3.724 119 HA ARG 18 HA ARG 18 75.861 6.251 -5.459 120 1HB ARG 18 HB2 ARG 18 73.974 4.138 -6.414 121 2HB ARG 18 HB1 ARG 18 73.692 5.795 -6.950 122 1HG ARG 18 HG2 ARG 18 76.229 5.809 -7.515 123 2HG ARG 18 HG1 ARG 18 76.104 4.053 -7.420 124 1HD ARG 18 HD2 ARG 18 73.889 4.895 -8.951 125 2HD ARG 18 HD1 ARG 18 75.267 5.816 -9.553 126 HE ARG 18 HE ARG 18 74.946 2.889 -9.701 127 1HH1 ARG 18 HH11 ARG 18 77.603 4.639 -8.903 128 2HH1 ARG 18 HH12 ARG 18 78.509 4.322 -10.345 129 1HH2 ARG 18 HH21 ARG 18 75.830 2.911 -12.035 130 2HH2 ARG 18 HH22 ARG 18 77.505 3.344 -12.119 131 H SER 19 HN SER 19 74.203 8.004 -5.729 132 HA SER 19 HA SER 19 72.562 8.187 -3.268 133 1HB SER 19 HB2 SER 19 72.300 10.570 -4.719 134 2HB SER 19 HB1 SER 19 73.363 10.293 -3.343 135 HG SER 19 HG SER 19 74.636 10.948 -5.032 136 H ILE 20 HN ILE 20 70.455 7.592 -3.409 137 HA ILE 20 HA ILE 20 69.121 7.785 -6.069 138 HB ILE 20 HB ILE 20 68.476 6.107 -3.630 139 1HG1 ILE 20 HG12 ILE 20 68.792 4.646 -6.072 140 2HG1 ILE 20 HG11 ILE 20 70.177 5.724 -5.895 141 1HG2 ILE 20 HG21 ILE 20 67.004 5.304 -5.928 142 2HG2 ILE 20 HG22 ILE 20 66.772 7.043 -5.746 143 3HG2 ILE 20 HG23 ILE 20 66.373 5.956 -4.415 144 1HD1 ILE 20 HD11 ILE 20 69.206 4.054 -3.580 145 2HD1 ILE 20 HD12 ILE 20 70.791 4.791 -3.816 146 3HD1 ILE 20 HD13 ILE 20 70.318 3.389 -4.777 147 HA PRO 21 HA PRO 21 66.833 11.098 -4.132 148 1HB PRO 21 HB2 PRO 21 65.403 11.760 -6.383 149 2HB PRO 21 HB1 PRO 21 67.078 12.267 -6.105 150 1HG PRO 21 HG2 PRO 21 66.034 10.169 -7.948 151 2HG PRO 21 HG1 PRO 21 67.520 11.126 -8.064 152 1HD PRO 21 HD2 PRO 21 67.341 8.439 -7.186 153 2HD PRO 21 HD1 PRO 21 68.749 9.506 -7.006 154 H CYS 22 HN CYS 22 64.820 11.105 -3.123 155 HA CYS 22 HA CYS 22 63.215 8.806 -2.979 156 1HB CYS 22 HB2 CYS 22 63.082 11.521 -2.021 157 2HB CYS 22 HB1 CYS 22 61.487 11.017 -2.579 158 H SER 23 HN SER 23 63.117 11.455 -5.292 159 HA SER 23 HA SER 23 60.547 10.856 -6.422 160 1HB SER 23 HB2 SER 23 62.940 12.428 -7.236 161 2HB SER 23 HB1 SER 23 61.845 11.933 -8.524 162 HG SER 23 HG SER 23 60.394 13.271 -7.785 163 H LEU 24 HN LEU 24 63.464 9.124 -6.468 164 HA LEU 24 HA LEU 24 62.706 7.722 -8.993 165 1HB LEU 24 HB2 LEU 24 65.232 8.474 -7.807 166 2HB LEU 24 HB1 LEU 24 65.169 6.726 -8.031 167 HG LEU 24 HG LEU 24 66.052 7.915 -10.038 168 1HD1 LEU 24 HD11 LEU 24 64.502 5.767 -10.000 169 2HD1 LEU 24 HD12 LEU 24 64.947 6.520 -11.531 170 3HD1 LEU 24 HD13 LEU 24 63.366 6.839 -10.818 171 1HD2 LEU 24 HD21 LEU 24 63.497 8.886 -10.991 172 2HD2 LEU 24 HD22 LEU 24 65.023 9.757 -10.836 173 3HD2 LEU 24 HD23 LEU 24 63.915 9.670 -9.467 174 H LEU 25 HN LEU 25 61.841 7.465 -5.942 175 HA LEU 25 HA LEU 25 62.057 4.480 -5.929 176 1HB LEU 25 HB2 LEU 25 61.928 6.285 -3.497 177 2HB LEU 25 HB1 LEU 25 62.167 4.536 -3.505 178 HG LEU 25 HG LEU 25 64.057 6.603 -4.668 179 1HD1 LEU 25 HD11 LEU 25 63.783 6.001 -2.059 180 2HD1 LEU 25 HD12 LEU 25 65.352 6.343 -2.788 181 3HD1 LEU 25 HD13 LEU 25 64.841 4.674 -2.539 182 1HD2 LEU 25 HD21 LEU 25 65.231 4.023 -4.433 183 2HD2 LEU 25 HD22 LEU 25 64.889 4.920 -5.913 184 3HD2 LEU 25 HD23 LEU 25 63.685 3.812 -5.255 185 H GLU 26 HN GLU 26 60.100 3.471 -5.936 186 HA GLU 26 HA GLU 26 57.674 5.139 -5.579 187 1HB GLU 26 HB2 GLU 26 58.374 2.933 -7.249 188 2HB GLU 26 HB1 GLU 26 57.054 2.412 -6.202 189 1HG GLU 26 HG2 GLU 26 55.931 4.657 -6.823 190 2HG GLU 26 HG1 GLU 26 57.108 4.727 -8.136 191 H SER 27 HN SER 27 59.337 2.368 -4.159 192 HA SER 27 HA SER 27 57.851 2.744 -1.665 193 1HB SER 27 HB2 SER 27 56.608 0.790 -1.637 194 2HB SER 27 HB1 SER 27 56.539 1.159 -3.358 195 HG SER 27 HG SER 27 58.503 -0.169 -3.501 196 H TYR 28 HN TYR 28 58.559 0.693 -0.175 197 HA TYR 28 HA TYR 28 61.178 -0.406 -0.773 198 1HB TYR 28 HB2 TYR 28 62.503 0.835 0.795 199 2HB TYR 28 HB1 TYR 28 61.663 2.027 -0.196 200 HD1 TYR 28 HD1 TYR 28 59.318 2.816 0.704 201 HD2 TYR 28 HD2 TYR 28 62.355 0.981 3.125 202 HE1 TYR 28 HE1 TYR 28 58.276 3.776 2.740 203 HE2 TYR 28 HE2 TYR 28 61.312 1.941 5.161 204 HH TYR 28 HH TYR 28 59.035 4.397 5.075 205 H PHE 29 HN PHE 29 61.972 -1.732 1.075 206 HA PHE 29 HA PHE 29 60.081 -2.151 3.296 207 1HB PHE 29 HB2 PHE 29 60.230 -4.724 2.638 208 2HB PHE 29 HB1 PHE 29 58.978 -3.686 1.956 209 HD1 PHE 29 HD1 PHE 29 59.457 -2.539 -0.295 210 HD2 PHE 29 HD2 PHE 29 61.795 -5.801 1.236 211 HE1 PHE 29 HE1 PHE 29 60.322 -2.988 -2.575 212 HE2 PHE 29 HE2 PHE 29 62.657 -6.251 -1.045 213 HZ PHE 29 HZ PHE 29 61.923 -4.845 -2.950 214 H GLU 30 HN GLU 30 60.987 -3.864 4.818 215 HA GLU 30 HA GLU 30 63.943 -3.565 4.898 216 1HB GLU 30 HB2 GLU 30 62.190 -4.708 7.078 217 2HB GLU 30 HB1 GLU 30 63.796 -3.996 7.232 218 1HG GLU 30 HG2 GLU 30 62.861 -1.801 6.522 219 2HG GLU 30 HG1 GLU 30 61.254 -2.527 6.474 220 H THR 31 HN THR 31 65.309 -5.358 4.887 221 HA THR 31 HA THR 31 64.158 -7.848 3.854 222 HB THR 31 HB THR 31 66.552 -8.590 3.790 223 HG1 THR 31 HG1 THR 31 67.961 -7.508 4.882 224 1HG2 THR 31 HG21 THR 31 65.718 -7.509 1.827 225 2HG2 THR 31 HG22 THR 31 67.286 -6.775 2.164 226 3HG2 THR 31 HG23 THR 31 65.803 -5.920 2.586 227 H ASN 32 HN ASN 32 65.347 -9.922 4.923 228 HA ASN 32 HA ASN 32 64.165 -10.264 7.497 229 1HB ASN 32 HB2 ASN 32 66.111 -11.814 5.828 230 2HB ASN 32 HB1 ASN 32 65.908 -12.267 7.521 231 1HD2 ASN 32 HD21 ASN 32 64.593 -12.695 4.404 232 2HD2 ASN 32 HD22 ASN 32 63.094 -13.346 4.864 233 H SER 33 HN SER 33 64.832 -9.035 9.212 234 HA SER 33 HA SER 33 67.516 -8.030 9.509 235 1HB SER 33 HB2 SER 33 65.371 -8.361 11.626 236 2HB SER 33 HB1 SER 33 66.791 -7.324 11.738 237 HG SER 33 HG SER 33 65.114 -6.058 11.042 238 H GLU 34 HN GLU 34 66.130 -11.093 10.095 239 HA GLU 34 HA GLU 34 67.709 -11.934 12.343 240 1HB GLU 34 HB2 GLU 34 66.567 -13.594 10.073 241 2HB GLU 34 HB1 GLU 34 67.134 -14.219 11.622 242 1HG GLU 34 HG2 GLU 34 65.404 -12.307 12.478 243 2HG GLU 34 HG1 GLU 34 64.625 -12.784 10.969 244 H CYS 35 HN CYS 35 68.578 -11.177 9.150 245 HA CYS 35 HA CYS 35 70.791 -13.071 8.923 246 1HB CYS 35 HB2 CYS 35 69.622 -10.905 7.294 247 2HB CYS 35 HB1 CYS 35 71.370 -11.077 7.138 248 H SER 36 HN SER 36 73.065 -12.038 8.507 249 HA SER 36 HA SER 36 73.769 -10.575 10.939 250 1HB SER 36 HB2 SER 36 75.741 -11.012 8.737 251 2HB SER 36 HB1 SER 36 75.954 -11.171 10.478 252 HG SER 36 HG SER 36 74.537 -13.038 10.303 253 H LYS 37 HN LYS 37 73.728 -9.902 7.444 254 HA LYS 37 HA LYS 37 74.170 -7.020 8.122 255 1HB LYS 37 HB2 LYS 37 74.952 -8.583 5.645 256 2HB LYS 37 HB1 LYS 37 75.042 -6.825 5.762 257 1HG LYS 37 HG2 LYS 37 76.526 -7.078 7.759 258 2HG LYS 37 HG1 LYS 37 76.513 -8.823 7.504 259 1HD LYS 37 HD2 LYS 37 77.390 -8.416 5.178 260 2HD LYS 37 HD1 LYS 37 77.569 -6.713 5.602 261 1HE LYS 37 HE2 LYS 37 79.609 -8.349 5.902 262 2HE LYS 37 HE1 LYS 37 79.274 -7.133 7.136 263 1HZ LYS 37 HZ1 LYS 37 79.650 -9.509 7.907 264 2HZ LYS 37 HZ2 LYS 37 78.109 -9.846 7.276 265 3HZ LYS 37 HZ3 LYS 37 78.289 -8.705 8.522 266 HA PRO 38 HA PRO 38 69.967 -7.285 6.349 267 1HB PRO 38 HB2 PRO 38 68.895 -5.483 8.128 268 2HB PRO 38 HB1 PRO 38 69.015 -7.221 8.450 269 1HG PRO 38 HG2 PRO 38 70.649 -4.989 9.565 270 2HG PRO 38 HG1 PRO 38 70.291 -6.576 10.266 271 1HD PRO 38 HD2 PRO 38 72.712 -5.829 8.998 272 2HD PRO 38 HD1 PRO 38 72.215 -7.484 9.411 273 H GLY 39 HN GLY 39 68.542 -5.219 5.737 274 1HA GLY 39 HA2 GLY 39 69.738 -2.672 5.502 275 2HA GLY 39 HA1 GLY 39 70.057 -3.574 4.024 276 H VAL 40 HN VAL 40 68.583 -1.435 3.551 277 HA VAL 40 HA VAL 40 65.730 -2.321 3.616 278 HB VAL 40 HB VAL 40 66.885 0.441 3.120 279 1HG1 VAL 40 HG11 VAL 40 64.737 1.196 2.800 280 2HG1 VAL 40 HG12 VAL 40 64.036 -0.033 3.853 281 3HG1 VAL 40 HG13 VAL 40 64.515 -0.450 2.208 282 1HG2 VAL 40 HG21 VAL 40 65.886 -0.996 5.554 283 2HG2 VAL 40 HG22 VAL 40 65.552 0.729 5.401 284 3HG2 VAL 40 HG23 VAL 40 67.218 0.150 5.401 285 H ILE 41 HN ILE 41 64.682 -2.696 1.688 286 HA ILE 41 HA ILE 41 66.334 -2.509 -0.774 287 HB ILE 41 HB ILE 41 63.775 -3.986 -0.109 288 1HG1 ILE 41 HG12 ILE 41 66.486 -4.980 -1.040 289 2HG1 ILE 41 HG11 ILE 41 65.997 -4.906 0.654 290 1HG2 ILE 41 HG21 ILE 41 65.238 -3.842 -2.764 291 2HG2 ILE 41 HG22 ILE 41 63.679 -3.092 -2.423 292 3HG2 ILE 41 HG23 ILE 41 63.835 -4.849 -2.408 293 1HD1 ILE 41 HD11 ILE 41 65.634 -7.161 -0.390 294 2HD1 ILE 41 HD12 ILE 41 64.471 -6.415 -1.486 295 3HD1 ILE 41 HD13 ILE 41 64.159 -6.436 0.249 296 H PHE 42 HN PHE 42 65.770 -1.158 -2.465 297 HA PHE 42 HA PHE 42 63.330 0.525 -2.049 298 1HB PHE 42 HB2 PHE 42 66.095 1.173 -3.007 299 2HB PHE 42 HB1 PHE 42 64.739 2.101 -3.649 300 HD1 PHE 42 HD1 PHE 42 67.175 2.320 -1.292 301 HD2 PHE 42 HD2 PHE 42 62.890 2.481 -1.544 302 HE1 PHE 42 HE1 PHE 42 67.103 3.662 0.792 303 HE2 PHE 42 HE2 PHE 42 62.818 3.824 0.540 304 HZ PHE 42 HZ PHE 42 64.924 4.414 1.708 305 H LEU 43 HN LEU 43 61.805 0.355 -3.628 306 HA LEU 43 HA LEU 43 62.565 -1.069 -6.133 307 1HB LEU 43 HB2 LEU 43 60.634 -1.849 -4.598 308 2HB LEU 43 HB1 LEU 43 59.753 -0.456 -5.226 309 HG LEU 43 HG LEU 43 59.298 -2.534 -6.528 310 1HD1 LEU 43 HD11 LEU 43 60.891 -0.811 -8.374 311 2HD1 LEU 43 HD12 LEU 43 59.583 -0.048 -7.471 312 3HD1 LEU 43 HD13 LEU 43 59.240 -1.407 -8.541 313 1HD2 LEU 43 HD21 LEU 43 60.977 -3.737 -7.602 314 2HD2 LEU 43 HD22 LEU 43 61.821 -3.237 -6.137 315 3HD2 LEU 43 HD23 LEU 43 62.077 -2.359 -7.645 316 H THR 44 HN THR 44 63.040 0.316 -7.774 317 HA THR 44 HA THR 44 61.929 3.035 -7.808 318 HB THR 44 HB THR 44 63.365 3.385 -9.732 319 HG1 THR 44 HG1 THR 44 62.922 1.345 -10.706 320 1HG2 THR 44 HG21 THR 44 64.568 3.461 -7.665 321 2HG2 THR 44 HG22 THR 44 65.561 2.522 -8.779 322 3HG2 THR 44 HG23 THR 44 64.603 1.702 -7.546 323 H LYS 45 HN LYS 45 60.658 3.858 -9.611 324 HA LYS 45 HA LYS 45 58.584 2.027 -10.455 325 1HB LYS 45 HB2 LYS 45 58.050 4.370 -10.105 326 2HB LYS 45 HB1 LYS 45 59.238 4.860 -11.313 327 1HG LYS 45 HG2 LYS 45 57.971 3.841 -13.087 328 2HG LYS 45 HG1 LYS 45 56.881 3.064 -11.938 329 1HD LYS 45 HD2 LYS 45 55.597 4.911 -11.781 330 2HD LYS 45 HD1 LYS 45 57.003 5.942 -11.513 331 1HE LYS 45 HE2 LYS 45 56.307 4.884 -14.255 332 2HE LYS 45 HE1 LYS 45 55.633 6.393 -13.641 333 1HZ LYS 45 HZ1 LYS 45 58.430 6.283 -13.193 334 2HZ LYS 45 HZ2 LYS 45 57.526 7.435 -14.055 335 3HZ LYS 45 HZ3 LYS 45 58.090 6.036 -14.836 336 H LYS 46 HN LYS 46 61.698 2.461 -11.577 337 HA LYS 46 HA LYS 46 61.039 2.010 -14.425 338 1HB LYS 46 HB2 LYS 46 63.484 2.709 -12.871 339 2HB LYS 46 HB1 LYS 46 63.719 1.791 -14.359 340 1HG LYS 46 HG2 LYS 46 63.772 3.993 -15.143 341 2HG LYS 46 HG1 LYS 46 62.081 3.559 -15.392 342 1HD LYS 46 HD2 LYS 46 61.477 5.277 -14.073 343 2HD LYS 46 HD1 LYS 46 62.295 4.492 -12.722 344 1HE LYS 46 HE2 LYS 46 63.516 6.440 -12.764 345 2HE LYS 46 HE1 LYS 46 64.445 5.528 -13.954 346 1HZ LYS 46 HZ1 LYS 46 63.764 7.808 -14.661 347 2HZ LYS 46 HZ2 LYS 46 62.153 7.269 -14.664 348 3HZ LYS 46 HZ3 LYS 46 63.287 6.568 -15.716 349 H GLY 47 HN GLY 47 60.587 0.037 -12.110 350 1HA GLY 47 HA2 GLY 47 60.628 -2.288 -11.905 351 2HA GLY 47 HA1 GLY 47 61.204 -2.333 -13.567 352 H ARG 48 HN ARG 48 62.656 -0.910 -10.639 353 HA ARG 48 HA ARG 48 64.914 -2.836 -10.905 354 1HB ARG 48 HB2 ARG 48 65.007 -0.041 -11.559 355 2HB ARG 48 HB1 ARG 48 65.998 -0.322 -10.127 356 1HG ARG 48 HG2 ARG 48 67.312 -1.980 -11.247 357 2HG ARG 48 HG1 ARG 48 66.187 -2.048 -12.605 358 1HD ARG 48 HD2 ARG 48 68.256 -0.720 -13.101 359 2HD ARG 48 HD1 ARG 48 66.770 0.214 -13.272 360 HE ARG 48 HE ARG 48 67.375 0.888 -10.769 361 1HH1 ARG 48 HH21 ARG 48 68.679 1.845 -13.605 362 2HH1 ARG 48 HH22 ARG 48 70.236 2.293 -12.994 363 1HH2 ARG 48 HH11 ARG 48 69.734 0.825 -9.893 364 2HH2 ARG 48 HH12 ARG 48 70.833 1.715 -10.892 365 H ARG 49 HN ARG 49 65.957 -3.285 -8.907 366 HA ARG 49 HA ARG 49 64.897 -1.893 -6.503 367 1HB ARG 49 HB2 ARG 49 64.280 -3.916 -5.401 368 2HB ARG 49 HB1 ARG 49 63.579 -4.031 -7.015 369 1HG ARG 49 HG2 ARG 49 66.250 -5.230 -6.223 370 2HG ARG 49 HG1 ARG 49 64.737 -6.133 -6.304 371 1HD ARG 49 HD2 ARG 49 64.672 -5.015 -8.744 372 2HD ARG 49 HD1 ARG 49 66.420 -5.051 -8.512 373 HE ARG 49 HE ARG 49 66.286 -7.355 -8.934 374 1HH1 ARG 49 HH11 ARG 49 63.137 -6.362 -8.991 375 2HH1 ARG 49 HH12 ARG 49 62.454 -7.818 -8.348 376 1HH2 ARG 49 HH21 ARG 49 65.516 -9.177 -7.457 377 2HH2 ARG 49 HH22 ARG 49 63.800 -9.411 -7.480 378 H PHE 50 HN PHE 50 66.378 -1.829 -4.789 379 HA PHE 50 HA PHE 50 68.827 -3.438 -4.879 380 1HB PHE 50 HB2 PHE 50 70.173 -1.176 -4.737 381 2HB PHE 50 HB1 PHE 50 69.727 -1.831 -6.312 382 HD1 PHE 50 HD1 PHE 50 68.302 0.358 -3.615 383 HD2 PHE 50 HD2 PHE 50 68.644 -0.428 -7.824 384 HE1 PHE 50 HE1 PHE 50 67.006 2.415 -4.105 385 HE2 PHE 50 HE2 PHE 50 67.347 1.629 -8.314 386 HZ PHE 50 HZ PHE 50 66.528 3.050 -6.454 387 H CYS 51 HN CYS 51 70.096 -3.147 -2.888 388 HA CYS 51 HA CYS 51 68.360 -2.322 -0.647 389 1HB CYS 51 HB2 CYS 51 70.877 -3.938 -0.922 390 2HB CYS 51 HB1 CYS 51 70.448 -3.259 0.645 391 H ALA 52 HN ALA 52 69.299 -0.987 1.108 392 HA ALA 52 HA ALA 52 71.520 0.795 0.254 393 1HB ALA 52 HB1 ALA 52 70.255 2.798 0.809 394 2HB ALA 52 HB2 ALA 52 68.873 1.827 1.317 395 3HB ALA 52 HB3 ALA 52 69.342 1.871 -0.382 396 H ASN 53 HN ASN 53 72.566 1.836 2.071 397 HA ASN 53 HA ASN 53 72.636 0.234 4.446 398 1HB ASN 53 HB2 ASN 53 74.504 1.703 3.528 399 2HB ASN 53 HB1 ASN 53 73.635 3.079 4.208 400 1HD2 ASN 53 HD21 ASN 53 75.757 0.439 4.971 401 2HD2 ASN 53 HD22 ASN 53 75.797 0.682 6.650 402 HA PRO 54 HA PRO 54 69.156 2.143 6.454 403 1HB PRO 54 HB2 PRO 54 69.401 0.747 8.812 404 2HB PRO 54 HB1 PRO 54 68.677 0.071 7.342 405 1HG PRO 54 HG2 PRO 54 71.358 -0.470 8.537 406 2HG PRO 54 HG1 PRO 54 70.350 -1.515 7.521 407 1HD PRO 54 HD2 PRO 54 72.600 -0.047 6.648 408 2HD PRO 54 HD1 PRO 54 71.375 -0.793 5.599 409 H SER 55 HN SER 55 72.412 2.542 7.140 410 HA SER 55 HA SER 55 71.955 4.180 9.572 411 1HB SER 55 HB2 SER 55 74.594 3.708 8.178 412 2HB SER 55 HB1 SER 55 74.320 4.186 9.851 413 HG SER 55 HG SER 55 74.808 1.876 9.360 414 H ASP 56 HN ASP 56 71.940 4.551 6.232 415 HA ASP 56 HA ASP 56 73.207 7.175 6.096 416 1HB ASP 56 HB2 ASP 56 72.927 5.501 4.168 417 2HB ASP 56 HB1 ASP 56 71.246 6.032 4.100 418 H LYS 57 HN LYS 57 72.260 8.934 7.001 419 HA LYS 57 HA LYS 57 69.624 9.091 7.976 420 1HB LYS 57 HB2 LYS 57 71.654 11.148 7.154 421 2HB LYS 57 HB1 LYS 57 70.023 11.665 7.584 422 1HG LYS 57 HG2 LYS 57 70.307 11.167 9.791 423 2HG LYS 57 HG1 LYS 57 71.254 9.719 9.443 424 1HD LYS 57 HD2 LYS 57 73.063 11.462 8.635 425 2HD LYS 57 HD1 LYS 57 72.168 12.567 9.679 426 1HE LYS 57 HE2 LYS 57 73.127 9.855 10.617 427 2HE LYS 57 HE1 LYS 57 74.093 11.320 10.794 428 1HZ LYS 57 HZ1 LYS 57 72.877 11.048 12.784 429 2HZ LYS 57 HZ2 LYS 57 71.423 10.761 11.953 430 3HZ LYS 57 HZ3 LYS 57 72.121 12.310 11.939 431 H GLN 58 HN GLN 58 70.799 9.394 4.721 432 HA GLN 58 HA GLN 58 68.489 10.815 3.681 433 1HB GLN 58 HB2 GLN 58 70.352 9.013 2.118 434 2HB GLN 58 HB1 GLN 58 69.414 10.381 1.516 435 1HG GLN 58 HG2 GLN 58 71.651 10.583 3.555 436 2HG GLN 58 HG1 GLN 58 71.816 10.955 1.838 437 1HE2 GLN 58 HE21 GLN 58 70.899 12.946 1.057 438 2HE2 GLN 58 HE22 GLN 58 70.234 14.112 2.096 439 H VAL 59 HN VAL 59 69.285 7.470 4.323 440 HA VAL 59 HA VAL 59 67.091 6.400 2.719 441 HB VAL 59 HB VAL 59 68.902 5.183 4.819 442 1HG1 VAL 59 HG11 VAL 59 66.643 3.967 3.211 443 2HG1 VAL 59 HG12 VAL 59 66.844 3.961 4.963 444 3HG1 VAL 59 HG13 VAL 59 67.920 3.000 3.950 445 1HG2 VAL 59 HG21 VAL 59 70.158 4.401 3.051 446 2HG2 VAL 59 HG22 VAL 59 69.516 5.858 2.292 447 3HG2 VAL 59 HG23 VAL 59 68.765 4.294 1.974 448 H GLN 60 HN GLN 60 67.654 7.141 6.145 449 HA GLN 60 HA GLN 60 65.096 6.086 7.019 450 1HB GLN 60 HB2 GLN 60 65.623 7.065 9.150 451 2HB GLN 60 HB1 GLN 60 67.140 6.454 8.488 452 1HG GLN 60 HG2 GLN 60 67.629 8.739 7.606 453 2HG GLN 60 HG1 GLN 60 66.167 9.324 8.400 454 1HE2 GLN 60 HE21 GLN 60 66.695 7.339 10.693 455 2HE2 GLN 60 HE22 GLN 60 67.906 8.089 11.616 456 H VAL 61 HN VAL 61 66.242 9.174 5.809 457 HA VAL 61 HA VAL 61 63.890 10.669 6.635 458 HB VAL 61 HB VAL 61 66.062 11.236 4.599 459 1HG1 VAL 61 HG11 VAL 61 64.145 12.471 3.871 460 2HG1 VAL 61 HG12 VAL 61 65.139 13.608 4.780 461 3HG1 VAL 61 HG13 VAL 61 63.708 12.897 5.525 462 1HG2 VAL 61 HG21 VAL 61 65.527 12.586 7.252 463 2HG2 VAL 61 HG22 VAL 61 66.996 12.642 6.279 464 3HG2 VAL 61 HG23 VAL 61 66.554 11.159 7.124 465 H CYS 62 HN CYS 62 64.885 8.942 3.705 466 HA CYS 62 HA CYS 62 62.607 9.844 2.144 467 1HB CYS 62 HB2 CYS 62 64.926 8.106 1.761 468 2HB CYS 62 HB1 CYS 62 63.470 7.456 1.007 469 H MET 63 HN MET 63 63.326 6.991 4.129 470 HA MET 63 HA MET 63 60.993 5.493 3.398 471 1HB MET 63 HB2 MET 63 61.414 4.210 5.446 472 2HB MET 63 HB1 MET 63 62.934 4.517 4.606 473 1HG MET 63 HG2 MET 63 63.484 6.321 6.108 474 2HG MET 63 HG1 MET 63 61.885 6.259 6.849 475 1HE MET 63 HE1 MET 63 62.811 5.112 9.826 476 2HE MET 63 HE2 MET 63 61.513 4.113 9.177 477 3HE MET 63 HE3 MET 63 61.643 5.801 8.691 478 H ARG 64 HN ARG 64 61.417 8.298 5.361 479 HA ARG 64 HA ARG 64 59.133 7.952 7.085 480 1HB ARG 64 HB2 ARG 64 61.135 9.682 7.166 481 2HB ARG 64 HB1 ARG 64 60.037 10.671 6.202 482 1HG ARG 64 HG2 ARG 64 59.016 9.332 8.689 483 2HG ARG 64 HG1 ARG 64 59.950 10.822 8.826 484 1HD ARG 64 HD2 ARG 64 57.923 11.823 8.526 485 2HD ARG 64 HD1 ARG 64 58.235 11.496 6.822 486 HE ARG 64 HE ARG 64 57.014 9.179 7.735 487 1HH1 ARG 64 HH11 ARG 64 56.030 11.917 9.244 488 2HH1 ARG 64 HH12 ARG 64 54.443 11.984 8.554 489 1HH2 ARG 64 HH21 ARG 64 55.077 9.524 6.194 490 2HH2 ARG 64 HH22 ARG 64 53.903 10.629 6.827 491 H MET 65 HN MET 65 59.579 9.746 4.022 492 HA MET 65 HA MET 65 56.803 10.517 3.837 493 1HB MET 65 HB2 MET 65 58.453 11.787 2.609 494 2HB MET 65 HB1 MET 65 59.001 10.342 1.758 495 1HG MET 65 HG2 MET 65 57.300 10.439 0.262 496 2HG MET 65 HG1 MET 65 56.113 10.827 1.508 497 1HE MET 65 HE1 MET 65 55.674 13.650 -1.112 498 2HE MET 65 HE2 MET 65 54.815 12.572 -0.014 499 3HE MET 65 HE3 MET 65 55.885 11.898 -1.241 500 H LEU 66 HN LEU 66 58.713 7.917 2.298 501 HA LEU 66 HA LEU 66 56.407 6.809 0.928 502 1HB LEU 66 HB2 LEU 66 59.065 5.500 1.582 503 2HB LEU 66 HB1 LEU 66 57.895 4.938 0.388 504 HG LEU 66 HG LEU 66 58.950 7.745 0.213 505 1HD1 LEU 66 HD11 LEU 66 60.396 5.194 -0.438 506 2HD1 LEU 66 HD12 LEU 66 61.031 6.691 0.247 507 3HD1 LEU 66 HD13 LEU 66 60.629 6.607 -1.469 508 1HD2 LEU 66 HD21 LEU 66 57.106 7.099 -1.250 509 2HD2 LEU 66 HD22 LEU 66 57.990 5.668 -1.782 510 3HD2 LEU 66 HD23 LEU 66 58.571 7.276 -2.217 511 H LYS 67 HN LYS 67 57.283 6.841 4.161 512 HA LYS 67 HA LYS 67 56.880 4.286 5.173 513 1HB LYS 67 HB2 LYS 67 57.130 6.661 6.353 514 2HB LYS 67 HB1 LYS 67 55.377 6.515 6.485 515 1HG LYS 67 HG2 LYS 67 56.859 4.066 7.200 516 2HG LYS 67 HG1 LYS 67 57.153 5.436 8.272 517 1HD LYS 67 HD2 LYS 67 54.698 5.730 8.533 518 2HD LYS 67 HD1 LYS 67 54.439 4.307 7.523 519 1HE LYS 67 HE2 LYS 67 55.263 2.843 9.135 520 2HE LYS 67 HE1 LYS 67 56.239 4.089 9.913 521 1HZ LYS 67 HZ1 LYS 67 53.324 3.649 10.097 522 2HZ LYS 67 HZ2 LYS 67 54.011 5.156 10.479 523 3HZ LYS 67 HZ3 LYS 67 54.460 3.769 11.352 524 H LEU 68 HN LEU 68 54.502 6.426 3.727 525 HA LEU 68 HA LEU 68 52.246 4.728 4.535 526 1HB LEU 68 HB2 LEU 68 52.406 7.059 2.597 527 2HB LEU 68 HB1 LEU 68 50.914 6.275 3.118 528 HG LEU 68 HG LEU 68 52.689 7.109 5.322 529 1HD1 LEU 68 HD11 LEU 68 52.401 9.440 5.113 530 2HD1 LEU 68 HD12 LEU 68 51.153 9.265 3.878 531 3HD1 LEU 68 HD13 LEU 68 52.840 8.935 3.481 532 1HD2 LEU 68 HD21 LEU 68 50.684 7.319 6.425 533 2HD2 LEU 68 HD22 LEU 68 50.125 6.279 5.115 534 3HD2 LEU 68 HD23 LEU 68 49.871 8.022 5.027 535 H ASP 69 HN ASP 69 51.753 2.884 3.459 536 HA ASP 69 HA ASP 69 52.967 2.362 0.829 537 1HB ASP 69 HB2 ASP 69 51.531 0.762 2.900 538 2HB ASP 69 HB1 ASP 69 51.462 0.184 1.235 539 H THR 70 HN THR 70 51.762 3.999 -0.376 540 HA THR 70 HA THR 70 49.987 4.696 -1.744 541 HB THR 70 HB THR 70 48.620 2.066 -1.551 542 HG1 THR 70 HG1 THR 70 50.449 1.053 -1.671 543 1HG2 THR 70 HG21 THR 70 47.825 3.260 -3.349 544 2HG2 THR 70 HG22 THR 70 49.173 2.448 -4.145 545 3HG2 THR 70 HG23 THR 70 49.350 4.112 -3.590 546 H ARG 71 HN ARG 71 49.192 6.038 0.049 547 HA ARG 71 HA ARG 71 46.442 5.332 0.763 548 1HB ARG 71 HB2 ARG 71 48.008 4.267 2.522 549 2HB ARG 71 HB1 ARG 71 48.328 5.921 3.046 550 1HG ARG 71 HG2 ARG 71 45.787 6.211 3.185 551 2HG ARG 71 HG1 ARG 71 45.683 4.457 3.025 552 1HD ARG 71 HD2 ARG 71 47.669 5.234 5.008 553 2HD ARG 71 HD1 ARG 71 46.074 5.876 5.401 554 HE ARG 71 HE ARG 71 45.373 3.672 5.850 555 1HH1 ARG 71 HH11 ARG 71 48.641 3.623 5.177 556 2HH1 ARG 71 HH12 ARG 71 48.704 1.964 4.682 557 1HH2 ARG 71 HH21 ARG 71 45.260 1.561 4.673 558 2HH2 ARG 71 HH22 ARG 71 46.790 0.797 4.397 559 H ILE 72 HN ILE 72 45.307 7.205 0.611 560 HA ILE 72 HA ILE 72 46.753 9.760 1.189 561 HB ILE 72 HB ILE 72 45.367 10.808 -0.588 562 1HG1 ILE 72 HG12 ILE 72 44.612 8.309 -1.882 563 2HG1 ILE 72 HG11 ILE 72 43.843 8.475 -0.303 564 1HG2 ILE 72 HG21 ILE 72 47.662 9.540 -0.928 565 2HG2 ILE 72 HG22 ILE 72 46.757 10.125 -2.325 566 3HG2 ILE 72 HG23 ILE 72 46.667 8.425 -1.865 567 1HD1 ILE 72 HD11 ILE 72 42.581 9.502 -2.278 568 2HD1 ILE 72 HD12 ILE 72 43.859 10.715 -2.333 569 3HD1 ILE 72 HD13 ILE 72 42.850 10.562 -0.894 570 H LYS 73 HN LYS 73 45.655 9.017 3.366 571 HA LYS 73 HA LYS 73 43.370 10.744 3.777 572 1HB LYS 73 HB2 LYS 73 42.407 8.592 2.715 573 2HB LYS 73 HB1 LYS 73 42.809 7.815 4.247 574 1HG LYS 73 HG2 LYS 73 40.747 8.531 4.892 575 2HG LYS 73 HG1 LYS 73 41.554 10.083 5.120 576 1HD LYS 73 HD2 LYS 73 39.495 10.298 3.742 577 2HD LYS 73 HD1 LYS 73 40.942 10.767 2.848 578 1HE LYS 73 HE2 LYS 73 40.847 8.935 1.459 579 2HE LYS 73 HE1 LYS 73 40.122 7.905 2.694 580 1HZ LYS 73 HZ1 LYS 73 38.244 8.247 1.565 581 2HZ LYS 73 HZ2 LYS 73 38.858 9.596 0.735 582 3HZ LYS 73 HZ3 LYS 73 38.223 9.775 2.300 583 H THR 74 HN THR 74 45.789 10.807 5.011 584 HA THR 74 HA THR 74 45.866 9.211 7.436 585 HB THR 74 HB THR 74 47.660 10.855 8.102 586 HG1 THR 74 HG1 THR 74 47.882 12.617 6.989 587 1HG2 THR 74 HG21 THR 74 47.703 8.840 6.209 588 2HG2 THR 74 HG22 THR 74 49.125 9.629 6.892 589 3HG2 THR 74 HG23 THR 74 48.454 10.191 5.361 590 H ARG 75 HN ARG 75 46.125 12.706 7.670 591 HA ARG 75 HA ARG 75 43.560 13.370 8.621 592 1HB ARG 75 HB2 ARG 75 45.122 11.774 10.497 593 2HB ARG 75 HB1 ARG 75 44.685 13.341 11.177 594 1HG ARG 75 HG2 ARG 75 42.399 12.928 11.016 595 2HG ARG 75 HG1 ARG 75 42.601 11.750 9.718 596 1HD ARG 75 HD2 ARG 75 43.790 11.157 12.406 597 2HD ARG 75 HD1 ARG 75 42.055 10.939 12.174 598 HE ARG 75 HE ARG 75 43.372 9.660 10.012 599 1HH1 ARG 75 HH21 ARG 75 43.649 9.517 13.423 600 2HH1 ARG 75 HH22 ARG 75 43.626 7.787 13.497 601 1HH2 ARG 75 HH11 ARG 75 43.082 7.385 10.096 602 2HH2 ARG 75 HH12 ARG 75 43.305 6.580 11.613 603 H LYS 76 HN LYS 76 43.575 15.473 9.798 604 HA LYS 76 HA LYS 76 46.203 16.860 9.794 605 1HB LYS 76 HB2 LYS 76 43.785 18.155 8.534 606 2HB LYS 76 HB1 LYS 76 45.478 18.630 8.400 607 1HG LYS 76 HG2 LYS 76 45.950 16.527 7.164 608 2HG LYS 76 HG1 LYS 76 44.237 16.115 7.247 609 1HD LYS 76 HD2 LYS 76 43.746 18.309 6.088 610 2HD LYS 76 HD1 LYS 76 45.483 18.487 5.835 611 1HE LYS 76 HE2 LYS 76 45.002 17.390 3.880 612 2HE LYS 76 HE1 LYS 76 45.163 15.971 4.914 613 1HZ LYS 76 HZ1 LYS 76 42.658 17.367 4.154 614 2HZ LYS 76 HZ2 LYS 76 42.737 16.160 5.348 615 3HZ LYS 76 HZ3 LYS 76 43.125 15.791 3.736 616 H ASN 77 HN ASN 77 43.808 15.955 11.640 617 HA ASN 77 HA ASN 77 42.704 16.821 13.528 618 1HB ASN 77 HB2 ASN 77 45.137 17.063 14.142 619 2HB ASN 77 HB1 ASN 77 45.064 18.724 13.554 620 1HD2 ASN 77 HD21 ASN 77 45.685 18.607 16.181 621 2HD2 ASN 77 HD22 ASN 77 44.350 18.959 17.169 Start of MODEL 16 1 1H MET 1 HT1 MET 1 72.133 -16.735 1.261 2 2H MET 1 HT2 MET 1 73.410 -17.306 0.296 3 3H MET 1 HT3 MET 1 72.485 -18.394 1.218 4 HA MET 1 HA MET 1 71.074 -16.734 -0.731 5 1HB MET 1 HB2 MET 1 73.070 -17.531 -1.960 6 2HB MET 1 HB1 MET 1 72.710 -19.184 -1.459 7 1HG MET 1 HG2 MET 1 71.539 -19.295 -3.403 8 2HG MET 1 HG1 MET 1 70.306 -18.396 -2.518 9 1HE MET 1 HE1 MET 1 71.554 -15.478 -2.141 10 2HE MET 1 HE2 MET 1 69.927 -16.060 -2.484 11 3HE MET 1 HE3 MET 1 70.641 -14.811 -3.501 12 H ASP 2 HN ASP 2 71.672 -20.215 -0.167 13 HA ASP 2 HA ASP 2 68.738 -20.567 0.144 14 1HB ASP 2 HB2 ASP 2 70.931 -22.645 -0.144 15 2HB ASP 2 HB1 ASP 2 69.195 -22.956 -0.177 16 H ARG 3 HN ARG 3 71.241 -19.886 2.134 17 HA ARG 3 HA ARG 3 70.941 -21.856 4.218 18 1HB ARG 3 HB2 ARG 3 72.774 -19.959 3.780 19 2HB ARG 3 HB1 ARG 3 71.737 -19.056 4.885 20 1HG ARG 3 HG2 ARG 3 72.076 -20.568 6.646 21 2HG ARG 3 HG1 ARG 3 72.588 -21.862 5.562 22 1HD ARG 3 HD2 ARG 3 74.183 -19.314 5.815 23 2HD ARG 3 HD1 ARG 3 74.424 -20.659 6.930 24 HE ARG 3 HE ARG 3 75.044 -22.046 4.951 25 1HH1 ARG 3 HH21 ARG 3 77.054 -19.816 5.197 26 2HH1 ARG 3 HH22 ARG 3 77.129 -19.226 3.570 27 1HH2 ARG 3 HH11 ARG 3 74.186 -20.776 2.590 28 2HH2 ARG 3 HH12 ARG 3 75.506 -19.770 2.094 29 H PHE 4 HN PHE 4 68.554 -21.956 4.304 30 HA PHE 4 HA PHE 4 67.164 -19.584 5.369 31 1HB PHE 4 HB2 PHE 4 66.072 -21.108 3.709 32 2HB PHE 4 HB1 PHE 4 66.107 -22.391 4.919 33 HD1 PHE 4 HD1 PHE 4 65.384 -18.726 5.207 34 HD2 PHE 4 HD2 PHE 4 63.915 -22.735 5.673 35 HE1 PHE 4 HE1 PHE 4 63.292 -17.843 6.206 36 HE2 PHE 4 HE2 PHE 4 61.823 -21.853 6.671 37 HZ PHE 4 HZ PHE 4 61.512 -19.407 6.937 38 H HIS 5 HN HIS 5 66.964 -19.215 7.522 39 HA HIS 5 HA HIS 5 66.708 -21.437 9.414 40 1HB HIS 5 HB2 HIS 5 69.232 -19.885 9.101 41 2HB HIS 5 HB1 HIS 5 68.689 -20.197 10.750 42 HD1 HIS 5 HD1 HIS 5 71.227 -21.597 9.683 43 HD2 HIS 5 HD2 HIS 5 67.415 -23.274 9.499 44 HE1 HIS 5 HE1 HIS 5 71.555 -24.102 9.499 45 H ALA 6 HN ALA 6 67.615 -17.966 9.386 46 HA ALA 6 HA ALA 6 65.149 -17.404 10.949 47 1HB ALA 6 HB1 ALA 6 67.984 -16.816 11.784 48 2HB ALA 6 HB2 ALA 6 66.677 -17.518 12.737 49 3HB ALA 6 HB3 ALA 6 66.655 -15.799 12.341 50 H THR 7 HN THR 7 68.029 -15.477 10.067 51 HA THR 7 HA THR 7 66.478 -14.037 8.018 52 HB THR 7 HB THR 7 67.122 -11.818 9.174 53 HG1 THR 7 HG1 THR 7 66.947 -12.440 11.601 54 1HG2 THR 7 HG21 THR 7 64.815 -13.097 9.054 55 2HG2 THR 7 HG22 THR 7 65.000 -11.696 10.109 56 3HG2 THR 7 HG23 THR 7 65.091 -13.325 10.781 57 H SER 8 HN SER 8 67.881 -13.759 6.361 58 HA SER 8 HA SER 8 70.773 -13.975 6.845 59 1HB SER 8 HB2 SER 8 68.980 -13.987 4.462 60 2HB SER 8 HB1 SER 8 70.641 -13.457 4.218 61 HG SER 8 HG SER 8 71.363 -15.408 4.818 62 H ALA 9 HN ALA 9 72.258 -12.315 5.884 63 HA ALA 9 HA ALA 9 71.784 -9.728 6.900 64 1HB ALA 9 HB1 ALA 9 73.768 -9.065 5.796 65 2HB ALA 9 HB2 ALA 9 73.518 -10.210 4.478 66 3HB ALA 9 HB3 ALA 9 73.995 -10.792 6.073 67 H ASP 10 HN ASP 10 71.300 -7.719 5.775 68 HA ASP 10 HA ASP 10 69.776 -8.116 3.232 69 1HB ASP 10 HB2 ASP 10 68.531 -7.602 5.553 70 2HB ASP 10 HB1 ASP 10 68.955 -5.948 5.109 71 H CYS 11 HN CYS 11 72.291 -7.452 2.822 72 HA CYS 11 HA CYS 11 72.649 -4.526 2.934 73 1HB CYS 11 HB2 CYS 11 74.426 -6.661 1.714 74 2HB CYS 11 HB1 CYS 11 74.869 -4.979 2.004 75 H CYS 12 HN CYS 12 72.971 -3.250 0.995 76 HA CYS 12 HA CYS 12 71.476 -4.357 -1.336 77 1HB CYS 12 HB2 CYS 12 71.970 -1.566 -0.312 78 2HB CYS 12 HB1 CYS 12 71.492 -1.834 -1.988 79 H ILE 13 HN ILE 13 72.957 -5.299 -2.698 80 HA ILE 13 HA ILE 13 75.489 -3.813 -3.238 81 HB ILE 13 HB ILE 13 74.765 -6.687 -3.886 82 1HG1 ILE 13 HG12 ILE 13 74.930 -6.332 -1.467 83 2HG1 ILE 13 HG11 ILE 13 76.350 -7.212 -2.033 84 1HG2 ILE 13 HG21 ILE 13 76.436 -5.906 -5.420 85 2HG2 ILE 13 HG22 ILE 13 77.290 -6.826 -4.181 86 3HG2 ILE 13 HG23 ILE 13 77.307 -5.062 -4.139 87 1HD1 ILE 13 HD11 ILE 13 76.210 -4.223 -1.539 88 2HD1 ILE 13 HD12 ILE 13 77.628 -5.101 -2.114 89 3HD1 ILE 13 HD13 ILE 13 77.002 -5.401 -0.492 90 H SER 14 HN SER 14 72.430 -4.457 -4.539 91 HA SER 14 HA SER 14 73.327 -3.402 -7.164 92 1HB SER 14 HB2 SER 14 71.329 -5.329 -7.734 93 2HB SER 14 HB1 SER 14 73.025 -5.370 -8.210 94 HG SER 14 HG SER 14 71.852 -6.371 -5.825 95 H TYR 15 HN TYR 15 71.969 -1.786 -7.781 96 HA TYR 15 HA TYR 15 69.319 -1.618 -6.415 97 1HB TYR 15 HB2 TYR 15 70.844 0.587 -7.831 98 2HB TYR 15 HB1 TYR 15 69.408 0.771 -6.824 99 HD1 TYR 15 HD1 TYR 15 72.986 0.699 -6.863 100 HD2 TYR 15 HD2 TYR 15 69.569 -0.046 -4.370 101 HE1 TYR 15 HE1 TYR 15 74.417 0.883 -4.847 102 HE2 TYR 15 HE2 TYR 15 71.000 0.138 -2.353 103 HH TYR 15 HH TYR 15 74.169 1.388 -2.458 104 H THR 16 HN THR 16 67.466 -1.605 -7.649 105 HA THR 16 HA THR 16 67.427 -2.633 -10.263 106 HB THR 16 HB THR 16 65.441 -2.529 -8.785 107 HG1 THR 16 HG1 THR 16 64.056 -2.225 -10.435 108 1HG2 THR 16 HG21 THR 16 64.477 -0.567 -8.090 109 2HG2 THR 16 HG22 THR 16 64.922 0.295 -9.563 110 3HG2 THR 16 HG23 THR 16 66.124 0.028 -8.301 111 HA PRO 17 HA PRO 17 68.923 1.101 -12.279 112 1HB PRO 17 HB2 PRO 17 69.481 -0.155 -14.661 113 2HB PRO 17 HB1 PRO 17 70.572 -0.174 -13.264 114 1HG PRO 17 HG2 PRO 17 68.820 -2.351 -14.307 115 2HG PRO 17 HG1 PRO 17 70.327 -2.468 -13.383 116 1HD PRO 17 HD2 PRO 17 67.719 -2.801 -12.340 117 2HD PRO 17 HD1 PRO 17 69.202 -2.573 -11.388 118 H ARG 18 HN ARG 18 66.451 1.588 -12.119 119 HA ARG 18 HA ARG 18 65.471 2.191 -14.768 120 1HB ARG 18 HB2 ARG 18 64.420 -0.213 -13.335 121 2HB ARG 18 HB1 ARG 18 63.263 0.803 -14.196 122 1HG ARG 18 HG2 ARG 18 65.337 0.591 -16.008 123 2HG ARG 18 HG1 ARG 18 65.312 -1.008 -15.263 124 1HD ARG 18 HD2 ARG 18 62.607 -0.237 -15.718 125 2HD ARG 18 HD1 ARG 18 63.504 0.068 -17.206 126 HE ARG 18 HE ARG 18 63.417 -2.592 -15.839 127 1HH1 ARG 18 HH11 ARG 18 61.678 -2.357 -18.177 128 2HH1 ARG 18 HH12 ARG 18 62.691 -2.863 -19.488 129 1HH2 ARG 18 HH21 ARG 18 65.641 -2.471 -17.706 130 2HH2 ARG 18 HH22 ARG 18 64.935 -2.928 -19.221 131 H SER 19 HN SER 19 63.341 3.345 -14.626 132 HA SER 19 HA SER 19 63.186 4.804 -12.052 133 1HB SER 19 HB2 SER 19 62.492 5.368 -14.863 134 2HB SER 19 HB1 SER 19 61.321 5.969 -13.693 135 HG SER 19 HG SER 19 62.781 7.547 -13.709 136 H ILE 20 HN ILE 20 61.832 3.913 -10.564 137 HA ILE 20 HA ILE 20 59.430 2.449 -11.518 138 HB ILE 20 HB ILE 20 60.408 2.663 -8.665 139 1HG1 ILE 20 HG12 ILE 20 61.102 0.395 -10.527 140 2HG1 ILE 20 HG11 ILE 20 62.138 1.820 -10.425 141 1HG2 ILE 20 HG21 ILE 20 58.906 0.443 -10.072 142 2HG2 ILE 20 HG22 ILE 20 58.094 1.768 -9.237 143 3HG2 ILE 20 HG23 ILE 20 59.130 0.661 -8.337 144 1HD1 ILE 20 HD11 ILE 20 62.210 -0.388 -8.719 145 2HD1 ILE 20 HD12 ILE 20 61.374 0.852 -7.784 146 3HD1 ILE 20 HD13 ILE 20 62.981 1.172 -8.435 147 HA PRO 21 HA PRO 21 56.991 5.975 -10.378 148 1HB PRO 21 HB2 PRO 21 54.548 4.789 -10.795 149 2HB PRO 21 HB1 PRO 21 55.583 5.382 -12.105 150 1HG PRO 21 HG2 PRO 21 55.057 2.574 -11.255 151 2HG PRO 21 HG1 PRO 21 55.538 3.194 -12.843 152 1HD PRO 21 HD2 PRO 21 57.245 1.944 -10.955 153 2HD PRO 21 HD1 PRO 21 57.758 2.839 -12.402 154 H CYS 22 HN CYS 22 55.839 6.644 -8.511 155 HA CYS 22 HA CYS 22 56.110 5.154 -6.124 156 1HB CYS 22 HB2 CYS 22 54.839 7.639 -6.945 157 2HB CYS 22 HB1 CYS 22 53.878 6.801 -5.726 158 H SER 23 HN SER 23 53.808 4.850 -8.666 159 HA SER 23 HA SER 23 51.623 3.728 -7.175 160 1HB SER 23 HB2 SER 23 52.054 4.405 -9.817 161 2HB SER 23 HB1 SER 23 52.010 2.645 -9.880 162 HG SER 23 HG SER 23 50.065 4.423 -8.829 163 H LEU 24 HN LEU 24 54.644 2.416 -8.372 164 HA LEU 24 HA LEU 24 53.774 -0.342 -7.700 165 1HB LEU 24 HB2 LEU 24 55.748 0.840 -9.481 166 2HB LEU 24 HB1 LEU 24 56.470 -0.401 -8.455 167 HG LEU 24 HG LEU 24 53.835 -0.942 -9.788 168 1HD1 LEU 24 HD11 LEU 24 54.717 -0.922 -11.856 169 2HD1 LEU 24 HD12 LEU 24 55.986 -2.031 -11.336 170 3HD1 LEU 24 HD13 LEU 24 56.225 -0.289 -11.197 171 1HD2 LEU 24 HD21 LEU 24 54.222 -3.014 -8.981 172 2HD2 LEU 24 HD22 LEU 24 55.610 -2.351 -8.120 173 3HD2 LEU 24 HD23 LEU 24 55.822 -3.056 -9.722 174 H LEU 25 HN LEU 25 54.599 2.079 -5.850 175 HA LEU 25 HA LEU 25 56.418 0.431 -4.137 176 1HB LEU 25 HB2 LEU 25 56.357 3.459 -4.336 177 2HB LEU 25 HB1 LEU 25 57.451 2.499 -3.340 178 HG LEU 25 HG LEU 25 57.299 2.465 -6.369 179 1HD1 LEU 25 HD11 LEU 25 58.693 4.232 -6.154 180 2HD1 LEU 25 HD12 LEU 25 59.881 3.085 -5.534 181 3HD1 LEU 25 HD13 LEU 25 58.856 3.983 -4.416 182 1HD2 LEU 25 HD21 LEU 25 59.594 1.149 -5.644 183 2HD2 LEU 25 HD22 LEU 25 58.081 0.346 -6.067 184 3HD2 LEU 25 HD23 LEU 25 58.482 0.637 -4.374 185 H GLU 26 HN GLU 26 55.070 -0.328 -2.555 186 HA GLU 26 HA GLU 26 52.929 1.444 -1.517 187 1HB GLU 26 HB2 GLU 26 53.553 -1.488 -1.063 188 2HB GLU 26 HB1 GLU 26 52.231 -0.631 -0.270 189 1HG GLU 26 HG2 GLU 26 52.372 -0.314 -3.214 190 2HG GLU 26 HG1 GLU 26 51.956 -1.930 -2.640 191 H SER 27 HN SER 27 56.107 0.416 -0.729 192 HA SER 27 HA SER 27 56.086 1.998 1.708 193 1HB SER 27 HB2 SER 27 55.385 -0.752 1.939 194 2HB SER 27 HB1 SER 27 57.010 -0.569 2.595 195 HG SER 27 HG SER 27 55.654 -0.067 4.243 196 H TYR 28 HN TYR 28 58.326 1.550 2.894 197 HA TYR 28 HA TYR 28 60.481 0.491 1.289 198 1HB TYR 28 HB2 TYR 28 61.563 2.562 0.647 199 2HB TYR 28 HB1 TYR 28 59.914 2.594 0.021 200 HD1 TYR 28 HD1 TYR 28 62.314 4.487 1.714 201 HD2 TYR 28 HD2 TYR 28 58.127 3.535 1.824 202 HE1 TYR 28 HE1 TYR 28 61.872 6.573 2.980 203 HE2 TYR 28 HE2 TYR 28 57.686 5.621 3.090 204 HH TYR 28 HH TYR 28 59.609 8.132 3.218 205 H PHE 29 HN PHE 29 62.580 0.816 2.385 206 HA PHE 29 HA PHE 29 62.609 2.156 4.983 207 1HB PHE 29 HB2 PHE 29 63.354 -0.176 6.020 208 2HB PHE 29 HB1 PHE 29 61.652 0.283 5.957 209 HD1 PHE 29 HD1 PHE 29 60.218 -0.542 4.045 210 HD2 PHE 29 HD2 PHE 29 64.177 -2.036 4.780 211 HE1 PHE 29 HE1 PHE 29 59.733 -2.521 2.632 212 HE2 PHE 29 HE2 PHE 29 63.693 -4.016 3.367 213 HZ PHE 29 HZ PHE 29 61.470 -4.258 2.294 214 H GLU 30 HN GLU 30 64.814 1.618 6.097 215 HA GLU 30 HA GLU 30 66.872 1.676 3.954 216 1HB GLU 30 HB2 GLU 30 66.963 2.435 6.888 217 2HB GLU 30 HB1 GLU 30 68.363 2.487 5.816 218 1HG GLU 30 HG2 GLU 30 67.346 4.149 4.422 219 2HG GLU 30 HG1 GLU 30 65.781 3.945 5.211 220 H THR 31 HN THR 31 68.694 0.271 4.031 221 HA THR 31 HA THR 31 68.170 -2.384 4.991 222 HB THR 31 HB THR 31 70.557 -2.808 4.365 223 HG1 THR 31 HG1 THR 31 70.532 -0.052 3.708 224 1HG2 THR 31 HG21 THR 31 68.682 -1.356 2.514 225 2HG2 THR 31 HG22 THR 31 69.079 -3.073 2.562 226 3HG2 THR 31 HG23 THR 31 70.253 -1.914 1.938 227 H ASN 32 HN ASN 32 70.230 -3.399 6.323 228 HA ASN 32 HA ASN 32 69.942 -2.311 8.990 229 1HB ASN 32 HB2 ASN 32 71.828 -4.418 7.892 230 2HB ASN 32 HB1 ASN 32 71.607 -4.065 9.606 231 1HD2 ASN 32 HD21 ASN 32 70.110 -5.414 10.600 232 2HD2 ASN 32 HD22 ASN 32 68.795 -6.156 9.824 233 H SER 33 HN SER 33 71.493 -1.186 10.225 234 HA SER 33 HA SER 33 73.290 0.525 8.736 235 1HB SER 33 HB2 SER 33 73.996 0.585 11.478 236 2HB SER 33 HB1 SER 33 72.996 1.742 10.605 237 HG SER 33 HG SER 33 71.661 0.977 12.131 238 H GLU 34 HN GLU 34 73.572 -2.659 9.798 239 HA GLU 34 HA GLU 34 76.436 -2.573 10.417 240 1HB GLU 34 HB2 GLU 34 74.537 -4.892 9.946 241 2HB GLU 34 HB1 GLU 34 76.215 -5.062 10.464 242 1HG GLU 34 HG2 GLU 34 74.430 -3.231 12.020 243 2HG GLU 34 HG1 GLU 34 74.248 -4.971 12.247 244 H CYS 35 HN CYS 35 74.438 -2.976 7.605 245 HA CYS 35 HA CYS 35 76.310 -4.401 5.958 246 1HB CYS 35 HB2 CYS 35 73.986 -2.568 5.359 247 2HB CYS 35 HB1 CYS 35 74.976 -3.251 4.069 248 H SER 36 HN SER 36 78.323 -3.648 5.511 249 HA SER 36 HA SER 36 79.341 -1.092 5.898 250 1HB SER 36 HB2 SER 36 80.797 -1.802 3.746 251 2HB SER 36 HB1 SER 36 81.038 -2.530 5.332 252 HG SER 36 HG SER 36 80.209 -4.336 4.620 253 H LYS 37 HN LYS 37 77.499 -2.288 3.130 254 HA LYS 37 HA LYS 37 77.692 0.405 1.875 255 1HB LYS 37 HB2 LYS 37 76.961 -2.330 0.848 256 2HB LYS 37 HB1 LYS 37 76.473 -0.883 -0.036 257 1HG LYS 37 HG2 LYS 37 78.547 -0.639 -0.871 258 2HG LYS 37 HG1 LYS 37 79.237 -0.649 0.753 259 1HD LYS 37 HD2 LYS 37 78.984 -3.195 0.689 260 2HD LYS 37 HD1 LYS 37 78.674 -3.018 -1.039 261 1HE LYS 37 HE2 LYS 37 80.986 -3.347 -1.008 262 2HE LYS 37 HE1 LYS 37 80.875 -1.587 -1.009 263 1HZ LYS 37 HZ1 LYS 37 80.936 -3.077 1.532 264 2HZ LYS 37 HZ2 LYS 37 81.377 -1.466 1.226 265 3HZ LYS 37 HZ3 LYS 37 82.379 -2.737 0.709 266 HA PRO 38 HA PRO 38 73.571 0.937 3.554 267 1HB PRO 38 HB2 PRO 38 73.385 3.593 2.870 268 2HB PRO 38 HB1 PRO 38 74.245 3.009 4.305 269 1HG PRO 38 HG2 PRO 38 75.361 4.027 1.735 270 2HG PRO 38 HG1 PRO 38 76.086 4.028 3.351 271 1HD PRO 38 HD2 PRO 38 76.695 2.217 1.260 272 2HD PRO 38 HD1 PRO 38 77.158 2.039 2.966 273 H GLY 39 HN GLY 39 71.459 1.757 2.573 274 1HA GLY 39 HA2 GLY 39 71.110 2.433 -0.119 275 2HA GLY 39 HA1 GLY 39 71.067 0.676 -0.026 276 H VAL 40 HN VAL 40 68.774 1.852 -0.851 277 HA VAL 40 HA VAL 40 67.026 1.829 1.579 278 HB VAL 40 HB VAL 40 66.715 3.252 -1.075 279 1HG1 VAL 40 HG11 VAL 40 64.520 4.027 -0.130 280 2HG1 VAL 40 HG12 VAL 40 64.709 2.840 1.161 281 3HG1 VAL 40 HG13 VAL 40 64.551 2.306 -0.513 282 1HG2 VAL 40 HG21 VAL 40 67.807 3.995 1.415 283 2HG2 VAL 40 HG22 VAL 40 66.223 4.767 1.347 284 3HG2 VAL 40 HG23 VAL 40 67.406 5.067 0.074 285 H ILE 41 HN ILE 41 65.107 0.572 1.466 286 HA ILE 41 HA ILE 41 65.056 -1.376 -0.806 287 HB ILE 41 HB ILE 41 63.972 -1.815 1.988 288 1HG1 ILE 41 HG12 ILE 41 66.181 -3.427 1.749 289 2HG1 ILE 41 HG11 ILE 41 66.716 -1.970 0.911 290 1HG2 ILE 41 HG21 ILE 41 63.561 -3.179 -0.405 291 2HG2 ILE 41 HG22 ILE 41 63.290 -3.826 1.214 292 3HG2 ILE 41 HG23 ILE 41 64.827 -4.111 0.396 293 1HD1 ILE 41 HD11 ILE 41 66.913 -0.838 2.850 294 2HD1 ILE 41 HD12 ILE 41 66.651 -2.369 3.686 295 3HD1 ILE 41 HD13 ILE 41 65.287 -1.302 3.350 296 H PHE 42 HN PHE 42 63.357 -0.997 -2.137 297 HA PHE 42 HA PHE 42 60.963 0.386 -1.043 298 1HB PHE 42 HB2 PHE 42 62.137 0.018 -3.776 299 2HB PHE 42 HB1 PHE 42 60.401 0.300 -3.634 300 HD1 PHE 42 HD1 PHE 42 59.540 2.458 -3.145 301 HD2 PHE 42 HD2 PHE 42 63.741 1.672 -2.706 302 HE1 PHE 42 HE1 PHE 42 59.958 4.879 -2.807 303 HE2 PHE 42 HE2 PHE 42 64.158 4.093 -2.368 304 HZ PHE 42 HZ PHE 42 62.267 5.696 -2.419 305 H LEU 43 HN LEU 43 59.067 -0.710 -0.749 306 HA LEU 43 HA LEU 43 59.009 -3.570 -1.563 307 1HB LEU 43 HB2 LEU 43 58.533 -2.770 0.842 308 2HB LEU 43 HB1 LEU 43 56.999 -2.173 0.207 309 HG LEU 43 HG LEU 43 57.448 -4.854 -0.745 310 1HD1 LEU 43 HD11 LEU 43 58.741 -4.597 1.622 311 2HD1 LEU 43 HD12 LEU 43 57.920 -6.079 1.130 312 3HD1 LEU 43 HD13 LEU 43 57.111 -4.937 2.204 313 1HD2 LEU 43 HD21 LEU 43 55.211 -4.599 -0.596 314 2HD2 LEU 43 HD22 LEU 43 55.392 -3.190 0.450 315 3HD2 LEU 43 HD23 LEU 43 55.366 -4.809 1.148 316 H THR 44 HN THR 44 57.501 -4.323 -3.030 317 HA THR 44 HA THR 44 55.783 -2.250 -4.318 318 HB THR 44 HB THR 44 55.695 -3.852 -6.229 319 HG1 THR 44 HG1 THR 44 56.749 -5.730 -6.116 320 1HG2 THR 44 HG21 THR 44 58.564 -3.774 -5.985 321 2HG2 THR 44 HG22 THR 44 57.874 -2.283 -5.343 322 3HG2 THR 44 HG23 THR 44 57.514 -2.780 -6.996 323 H LYS 45 HN LYS 45 53.653 -3.200 -5.201 324 HA LYS 45 HA LYS 45 52.242 -4.442 -2.968 325 1HB LYS 45 HB2 LYS 45 51.309 -2.663 -4.568 326 2HB LYS 45 HB1 LYS 45 51.133 -3.969 -5.740 327 1HG LYS 45 HG2 LYS 45 50.032 -5.080 -3.474 328 2HG LYS 45 HG1 LYS 45 49.547 -3.391 -3.331 329 1HD LYS 45 HD2 LYS 45 49.073 -5.206 -5.712 330 2HD LYS 45 HD1 LYS 45 47.850 -4.589 -4.601 331 1HE LYS 45 HE2 LYS 45 49.528 -3.001 -6.557 332 2HE LYS 45 HE1 LYS 45 47.774 -3.189 -6.552 333 1HZ LYS 45 HZ1 LYS 45 48.047 -2.198 -4.161 334 2HZ LYS 45 HZ2 LYS 45 47.980 -1.184 -5.523 335 3HZ LYS 45 HZ3 LYS 45 49.477 -1.560 -4.812 336 H LYS 46 HN LYS 46 54.213 -5.753 -5.232 337 HA LYS 46 HA LYS 46 52.529 -8.192 -5.592 338 1HB LYS 46 HB2 LYS 46 53.520 -7.093 -7.638 339 2HB LYS 46 HB1 LYS 46 55.118 -7.488 -7.003 340 1HG LYS 46 HG2 LYS 46 54.880 -9.455 -8.100 341 2HG LYS 46 HG1 LYS 46 53.780 -9.895 -6.793 342 1HD LYS 46 HD2 LYS 46 52.438 -8.247 -8.775 343 2HD LYS 46 HD1 LYS 46 53.135 -9.689 -9.513 344 1HE LYS 46 HE2 LYS 46 51.237 -10.708 -8.785 345 2HE LYS 46 HE1 LYS 46 52.058 -10.732 -7.224 346 1HZ LYS 46 HZ1 LYS 46 50.542 -8.344 -8.018 347 2HZ LYS 46 HZ2 LYS 46 50.872 -8.944 -6.463 348 3HZ LYS 46 HZ3 LYS 46 49.703 -9.699 -7.437 349 H GLY 47 HN GLY 47 53.986 -7.431 -3.113 350 1HA GLY 47 HA2 GLY 47 55.338 -8.456 -1.507 351 2HA GLY 47 HA1 GLY 47 55.015 -9.947 -2.386 352 H ARG 48 HN ARG 48 56.584 -7.179 -3.865 353 HA ARG 48 HA ARG 48 59.134 -8.747 -3.903 354 1HB ARG 48 HB2 ARG 48 57.635 -8.261 -6.102 355 2HB ARG 48 HB1 ARG 48 58.612 -6.791 -6.079 356 1HG ARG 48 HG2 ARG 48 60.337 -7.944 -6.944 357 2HG ARG 48 HG1 ARG 48 60.356 -8.964 -5.505 358 1HD ARG 48 HD2 ARG 48 58.833 -9.417 -8.078 359 2HD ARG 48 HD1 ARG 48 60.054 -10.456 -7.343 360 HE ARG 48 HE ARG 48 57.945 -10.210 -5.475 361 1HH1 ARG 48 HH21 ARG 48 59.194 -12.608 -7.157 362 2HH1 ARG 48 HH22 ARG 48 57.722 -13.331 -7.716 363 1HH2 ARG 48 HH11 ARG 48 55.746 -10.620 -6.838 364 2HH2 ARG 48 HH12 ARG 48 55.770 -12.205 -7.536 365 H ARG 49 HN ARG 49 61.050 -7.546 -3.599 366 HA ARG 49 HA ARG 49 60.742 -4.623 -3.113 367 1HB ARG 49 HB2 ARG 49 61.935 -4.758 -1.010 368 2HB ARG 49 HB1 ARG 49 60.580 -5.885 -0.935 369 1HG ARG 49 HG2 ARG 49 62.491 -7.501 -1.991 370 2HG ARG 49 HG1 ARG 49 63.491 -6.434 -1.004 371 1HD ARG 49 HD2 ARG 49 62.921 -7.745 0.746 372 2HD ARG 49 HD1 ARG 49 61.328 -6.995 0.647 373 HE ARG 49 HE ARG 49 61.056 -9.002 -1.154 374 1HH1 ARG 49 HH21 ARG 49 63.489 -10.103 0.476 375 2HH1 ARG 49 HH22 ARG 49 62.663 -11.213 1.519 376 1HH2 ARG 49 HH11 ARG 49 59.518 -9.915 0.849 377 2HH2 ARG 49 HH12 ARG 49 60.415 -11.106 1.730 378 H PHE 50 HN PHE 50 62.604 -3.432 -3.629 379 HA PHE 50 HA PHE 50 65.017 -4.969 -4.456 380 1HB PHE 50 HB2 PHE 50 65.084 -3.252 -6.442 381 2HB PHE 50 HB1 PHE 50 64.068 -4.688 -6.575 382 HD1 PHE 50 HD1 PHE 50 61.766 -4.468 -6.979 383 HD2 PHE 50 HD2 PHE 50 63.977 -1.117 -5.454 384 HE1 PHE 50 HE1 PHE 50 59.763 -3.029 -7.240 385 HE2 PHE 50 HE2 PHE 50 61.974 0.323 -5.714 386 HZ PHE 50 HZ PHE 50 59.867 -0.633 -6.607 387 H CYS 51 HN CYS 51 66.954 -3.583 -4.577 388 HA CYS 51 HA CYS 51 66.914 -1.530 -2.495 389 1HB CYS 51 HB2 CYS 51 69.083 -2.708 -4.244 390 2HB CYS 51 HB1 CYS 51 69.387 -1.403 -3.103 391 H ALA 52 HN ALA 52 67.496 0.687 -2.842 392 HA ALA 52 HA ALA 52 67.618 1.617 -5.660 393 1HB ALA 52 HB1 ALA 52 65.909 3.334 -4.023 394 2HB ALA 52 HB2 ALA 52 65.241 1.712 -4.212 395 3HB ALA 52 HB3 ALA 52 65.623 2.680 -5.636 396 H ASN 53 HN ASN 53 68.444 3.841 -5.812 397 HA ASN 53 HA ASN 53 70.328 4.413 -3.618 398 1HB ASN 53 HB2 ASN 53 70.914 4.467 -6.120 399 2HB ASN 53 HB1 ASN 53 70.023 5.988 -6.176 400 1HD2 ASN 53 HD21 ASN 53 73.071 4.591 -5.426 401 2HD2 ASN 53 HD22 ASN 53 73.766 5.950 -4.684 402 HA PRO 54 HA PRO 54 67.488 7.463 -2.043 403 1HB PRO 54 HB2 PRO 54 69.107 8.285 0.024 404 2HB PRO 54 HB1 PRO 54 68.126 6.810 0.072 405 1HG PRO 54 HG2 PRO 54 71.073 7.094 -0.308 406 2HG PRO 54 HG1 PRO 54 70.155 5.745 0.382 407 1HD PRO 54 HD2 PRO 54 71.231 5.833 -2.225 408 2HD PRO 54 HD1 PRO 54 70.006 4.683 -1.647 409 H SER 55 HN SER 55 70.316 7.941 -3.715 410 HA SER 55 HA SER 55 70.504 10.849 -3.200 411 1HB SER 55 HB2 SER 55 72.055 9.134 -5.162 412 2HB SER 55 HB1 SER 55 72.434 10.788 -4.690 413 HG SER 55 HG SER 55 72.443 9.811 -2.461 414 H ASP 56 HN ASP 56 68.758 8.738 -5.186 415 HA ASP 56 HA ASP 56 68.648 10.433 -7.557 416 1HB ASP 56 HB2 ASP 56 68.188 7.904 -7.441 417 2HB ASP 56 HB1 ASP 56 66.613 8.340 -6.775 418 H LYS 57 HN LYS 57 67.465 12.272 -7.712 419 HA LYS 57 HA LYS 57 65.927 13.388 -5.645 420 1HB LYS 57 HB2 LYS 57 65.320 13.848 -8.572 421 2HB LYS 57 HB1 LYS 57 65.157 14.988 -7.236 422 1HG LYS 57 HG2 LYS 57 67.709 14.673 -6.923 423 2HG LYS 57 HG1 LYS 57 67.680 13.982 -8.546 424 1HD LYS 57 HD2 LYS 57 66.140 16.423 -8.499 425 2HD LYS 57 HD1 LYS 57 67.757 16.723 -7.858 426 1HE LYS 57 HE2 LYS 57 66.996 15.603 -10.558 427 2HE LYS 57 HE1 LYS 57 67.981 17.022 -10.201 428 1HZ LYS 57 HZ1 LYS 57 69.633 15.554 -10.592 429 2HZ LYS 57 HZ2 LYS 57 68.701 14.199 -10.166 430 3HZ LYS 57 HZ3 LYS 57 69.391 15.173 -8.957 431 H GLN 58 HN GLN 58 64.895 11.264 -8.296 432 HA GLN 58 HA GLN 58 62.092 11.436 -7.873 433 1HB GLN 58 HB2 GLN 58 63.632 10.103 -9.647 434 2HB GLN 58 HB1 GLN 58 63.216 8.771 -8.567 435 1HG GLN 58 HG2 GLN 58 61.107 8.693 -9.356 436 2HG GLN 58 HG1 GLN 58 60.894 10.428 -9.114 437 1HE2 GLN 58 HE21 GLN 58 59.967 10.957 -11.159 438 2HE2 GLN 58 HE22 GLN 58 60.781 10.738 -12.632 439 H VAL 59 HN VAL 59 64.591 9.649 -6.158 440 HA VAL 59 HA VAL 59 62.752 7.974 -4.667 441 HB VAL 59 HB VAL 59 65.644 8.758 -4.227 442 1HG1 VAL 59 HG11 VAL 59 63.717 7.311 -2.487 443 2HG1 VAL 59 HG12 VAL 59 65.163 8.221 -2.050 444 3HG1 VAL 59 HG13 VAL 59 65.309 6.575 -2.668 445 1HG2 VAL 59 HG21 VAL 59 65.060 5.949 -4.597 446 2HG2 VAL 59 HG22 VAL 59 66.085 7.002 -5.572 447 3HG2 VAL 59 HG23 VAL 59 64.358 6.890 -5.913 448 H GLN 60 HN GLN 60 64.450 11.033 -3.984 449 HA GLN 60 HA GLN 60 63.400 11.305 -1.313 450 1HB GLN 60 HB2 GLN 60 64.598 13.255 -3.287 451 2HB GLN 60 HB1 GLN 60 64.013 13.774 -1.706 452 1HG GLN 60 HG2 GLN 60 65.646 11.403 -1.432 453 2HG GLN 60 HG1 GLN 60 66.534 12.657 -2.299 454 1HE2 GLN 60 HE21 GLN 60 67.739 13.868 -0.838 455 2HE2 GLN 60 HE22 GLN 60 67.213 14.347 0.703 456 H VAL 61 HN VAL 61 62.292 12.377 -4.504 457 HA VAL 61 HA VAL 61 60.126 14.006 -3.524 458 HB VAL 61 HB VAL 61 60.613 12.636 -6.180 459 1HG1 VAL 61 HG11 VAL 61 58.400 12.941 -6.555 460 2HG1 VAL 61 HG12 VAL 61 58.773 14.663 -6.604 461 3HG1 VAL 61 HG13 VAL 61 58.209 13.926 -5.104 462 1HG2 VAL 61 HG21 VAL 61 62.038 14.396 -6.340 463 2HG2 VAL 61 HG22 VAL 61 61.339 15.194 -4.932 464 3HG2 VAL 61 HG23 VAL 61 60.586 15.382 -6.515 465 H CYS 62 HN CYS 62 60.349 10.607 -4.560 466 HA CYS 62 HA CYS 62 57.517 10.108 -4.099 467 1HB CYS 62 HB2 CYS 62 59.798 8.653 -5.145 468 2HB CYS 62 HB1 CYS 62 58.895 7.656 -4.004 469 H MET 63 HN MET 63 60.518 9.629 -2.272 470 HA MET 63 HA MET 63 59.539 8.053 -0.153 471 1HB MET 63 HB2 MET 63 61.695 10.119 -0.397 472 2HB MET 63 HB1 MET 63 61.256 9.549 1.213 473 1HG MET 63 HG2 MET 63 61.402 7.180 -0.099 474 2HG MET 63 HG1 MET 63 62.601 8.106 -1.002 475 1HE MET 63 HE1 MET 63 63.245 5.575 0.448 476 2HE MET 63 HE2 MET 63 64.661 5.889 1.449 477 3HE MET 63 HE3 MET 63 64.600 6.512 -0.198 478 H ARG 64 HN ARG 64 58.813 11.338 -0.971 479 HA ARG 64 HA ARG 64 57.872 12.088 1.691 480 1HB ARG 64 HB2 ARG 64 57.602 13.340 -1.051 481 2HB ARG 64 HB1 ARG 64 56.839 14.030 0.382 482 1HG ARG 64 HG2 ARG 64 59.756 13.334 0.474 483 2HG ARG 64 HG1 ARG 64 59.251 14.822 -0.328 484 1HD ARG 64 HD2 ARG 64 57.896 15.311 1.803 485 2HD ARG 64 HD1 ARG 64 58.841 14.026 2.556 486 HE ARG 64 HE ARG 64 60.449 16.076 1.208 487 1HH1 ARG 64 HH21 ARG 64 58.563 17.018 3.555 488 2HH1 ARG 64 HH22 ARG 64 59.717 17.048 4.845 489 1HH2 ARG 64 HH11 ARG 64 62.106 15.235 3.104 490 2HH2 ARG 64 HH12 ARG 64 61.724 16.038 4.590 491 H MET 65 HN MET 65 56.355 11.075 -1.372 492 HA MET 65 HA MET 65 53.650 11.316 -0.501 493 1HB MET 65 HB2 MET 65 54.500 10.902 -2.877 494 2HB MET 65 HB1 MET 65 54.671 9.208 -2.416 495 1HG MET 65 HG2 MET 65 52.265 9.178 -1.763 496 2HG MET 65 HG1 MET 65 52.115 10.838 -2.338 497 1HE MET 65 HE1 MET 65 51.224 7.263 -3.668 498 2HE MET 65 HE2 MET 65 50.252 8.349 -4.658 499 3HE MET 65 HE3 MET 65 50.431 8.664 -2.934 500 H LEU 66 HN LEU 66 55.929 8.578 -0.336 501 HA LEU 66 HA LEU 66 54.007 6.814 0.933 502 1HB LEU 66 HB2 LEU 66 56.975 6.745 0.455 503 2HB LEU 66 HB1 LEU 66 56.236 5.576 1.550 504 HG LEU 66 HG LEU 66 54.660 4.909 -0.242 505 1HD1 LEU 66 HD11 LEU 66 55.123 5.725 -2.557 506 2HD1 LEU 66 HD12 LEU 66 56.285 6.872 -1.889 507 3HD1 LEU 66 HD13 LEU 66 54.575 7.010 -1.481 508 1HD2 LEU 66 HD21 LEU 66 57.309 4.740 -1.593 509 2HD2 LEU 66 HD22 LEU 66 56.170 3.456 -1.189 510 3HD2 LEU 66 HD23 LEU 66 57.226 4.122 0.057 511 H LYS 67 HN LYS 67 56.645 8.896 2.104 512 HA LYS 67 HA LYS 67 56.735 8.170 4.793 513 1HB LYS 67 HB2 LYS 67 58.102 9.978 3.662 514 2HB LYS 67 HB1 LYS 67 56.707 11.043 3.836 515 1HG LYS 67 HG2 LYS 67 56.786 10.331 6.348 516 2HG LYS 67 HG1 LYS 67 58.441 9.842 5.983 517 1HD LYS 67 HD2 LYS 67 57.654 12.521 4.990 518 2HD LYS 67 HD1 LYS 67 57.765 12.361 6.743 519 1HE LYS 67 HE2 LYS 67 59.982 11.126 5.218 520 2HE LYS 67 HE1 LYS 67 59.904 12.886 5.143 521 1HZ LYS 67 HZ1 LYS 67 60.367 11.140 7.442 522 2HZ LYS 67 HZ2 LYS 67 59.515 12.586 7.709 523 3HZ LYS 67 HZ3 LYS 67 61.081 12.628 7.052 524 H LEU 68 HN LEU 68 54.268 10.060 3.127 525 HA LEU 68 HA LEU 68 52.854 11.061 5.362 526 1HB LEU 68 HB2 LEU 68 52.435 10.898 2.576 527 2HB LEU 68 HB1 LEU 68 51.023 10.145 3.318 528 HG LEU 68 HG LEU 68 50.800 12.633 3.004 529 1HD1 LEU 68 HD11 LEU 68 50.844 12.207 5.952 530 2HD1 LEU 68 HD12 LEU 68 49.878 11.079 5.000 531 3HD1 LEU 68 HD13 LEU 68 49.545 12.809 4.922 532 1HD2 LEU 68 HD21 LEU 68 53.402 12.643 4.000 533 2HD2 LEU 68 HD22 LEU 68 52.439 13.252 5.346 534 3HD2 LEU 68 HD23 LEU 68 52.376 14.061 3.780 535 H ASP 69 HN ASP 69 51.752 10.028 6.960 536 HA ASP 69 HA ASP 69 51.556 7.131 6.971 537 1HB ASP 69 HB2 ASP 69 51.173 9.314 8.857 538 2HB ASP 69 HB1 ASP 69 49.892 8.110 8.999 539 H THR 70 HN THR 70 48.894 9.440 7.559 540 HA THR 70 HA THR 70 46.672 9.408 6.806 541 HB THR 70 HB THR 70 47.107 7.627 4.520 542 HG1 THR 70 HG1 THR 70 48.482 10.029 4.304 543 1HG2 THR 70 HG21 THR 70 45.684 9.106 3.558 544 2HG2 THR 70 HG22 THR 70 46.626 10.496 4.096 545 3HG2 THR 70 HG23 THR 70 45.473 9.736 5.192 546 H ARG 71 HN ARG 71 44.836 7.812 6.356 547 HA ARG 71 HA ARG 71 43.671 5.875 6.986 548 1HB ARG 71 HB2 ARG 71 45.841 5.011 5.562 549 2HB ARG 71 HB1 ARG 71 46.085 4.174 7.095 550 1HG ARG 71 HG2 ARG 71 43.389 3.828 6.690 551 2HG ARG 71 HG1 ARG 71 44.015 3.759 5.043 552 1HD ARG 71 HD2 ARG 71 45.565 2.252 7.073 553 2HD ARG 71 HD1 ARG 71 43.964 1.613 6.700 554 HE ARG 71 HE ARG 71 45.812 2.220 4.449 555 1HH1 ARG 71 HH11 ARG 71 44.997 -0.190 6.679 556 2HH1 ARG 71 HH12 ARG 71 44.762 -1.434 5.497 557 1HH2 ARG 71 HH21 ARG 71 45.102 0.708 2.791 558 2HH2 ARG 71 HH22 ARG 71 44.822 -0.926 3.295 559 H ILE 72 HN ILE 72 43.146 4.821 8.932 560 HA ILE 72 HA ILE 72 43.211 4.449 11.248 561 HB ILE 72 HB ILE 72 46.192 4.418 10.687 562 1HG1 ILE 72 HG12 ILE 72 44.146 2.193 10.981 563 2HG1 ILE 72 HG11 ILE 72 44.909 2.695 9.472 564 1HG2 ILE 72 HG21 ILE 72 46.138 3.012 12.853 565 2HG2 ILE 72 HG22 ILE 72 44.555 3.737 13.130 566 3HG2 ILE 72 HG23 ILE 72 45.987 4.761 13.021 567 1HD1 ILE 72 HD11 ILE 72 47.148 2.251 10.741 568 2HD1 ILE 72 HD12 ILE 72 46.235 0.873 10.126 569 3HD1 ILE 72 HD13 ILE 72 46.145 1.299 11.835 570 H LYS 73 HN LYS 73 42.414 6.408 12.040 571 HA LYS 73 HA LYS 73 44.101 8.786 12.169 572 1HB LYS 73 HB2 LYS 73 42.129 9.630 13.584 573 2HB LYS 73 HB1 LYS 73 41.776 9.212 11.909 574 1HG LYS 73 HG2 LYS 73 40.354 7.580 12.540 575 2HG LYS 73 HG1 LYS 73 41.550 6.887 13.636 576 1HD LYS 73 HD2 LYS 73 40.918 8.365 15.410 577 2HD LYS 73 HD1 LYS 73 39.950 9.361 14.322 578 1HE LYS 73 HE2 LYS 73 38.357 8.018 15.446 579 2HE LYS 73 HE1 LYS 73 38.573 7.220 13.888 580 1HZ LYS 73 HZ1 LYS 73 39.230 5.407 14.941 581 2HZ LYS 73 HZ2 LYS 73 39.007 6.171 16.442 582 3HZ LYS 73 HZ3 LYS 73 40.513 6.253 15.659 583 H THR 74 HN THR 74 45.882 8.294 13.497 584 HA THR 74 HA THR 74 45.348 7.247 16.218 585 HB THR 74 HB THR 74 48.070 7.792 16.029 586 HG1 THR 74 HG1 THR 74 48.677 7.253 14.016 587 1HG2 THR 74 HG21 THR 74 46.875 5.187 15.109 588 2HG2 THR 74 HG22 THR 74 46.694 5.717 16.781 589 3HG2 THR 74 HG23 THR 74 48.303 5.456 16.108 590 H ARG 75 HN ARG 75 47.065 8.451 17.847 591 HA ARG 75 HA ARG 75 46.372 11.354 17.638 592 1HB ARG 75 HB2 ARG 75 45.316 10.090 19.538 593 2HB ARG 75 HB1 ARG 75 46.935 9.761 20.156 594 1HG ARG 75 HG2 ARG 75 47.374 12.176 20.331 595 2HG ARG 75 HG1 ARG 75 45.769 12.522 19.687 596 1HD ARG 75 HD2 ARG 75 45.438 10.692 21.842 597 2HD ARG 75 HD1 ARG 75 46.513 11.973 22.401 598 HE ARG 75 HE ARG 75 44.622 13.509 21.367 599 1HH1 ARG 75 HH21 ARG 75 43.426 10.461 21.618 600 2HH1 ARG 75 HH22 ARG 75 42.218 10.804 22.812 601 1HH2 ARG 75 HH11 ARG 75 43.425 13.981 23.502 602 2HH2 ARG 75 HH12 ARG 75 42.218 12.797 23.878 603 H LYS 76 HN LYS 76 48.262 12.121 16.666 604 HA LYS 76 HA LYS 76 50.713 11.908 18.343 605 1HB LYS 76 HB2 LYS 76 50.468 11.294 15.396 606 2HB LYS 76 HB1 LYS 76 52.004 11.784 16.111 607 1HG LYS 76 HG2 LYS 76 52.208 9.843 17.349 608 2HG LYS 76 HG1 LYS 76 50.463 9.608 17.462 609 1HD LYS 76 HD2 LYS 76 51.054 7.938 15.944 610 2HD LYS 76 HD1 LYS 76 50.627 9.263 14.860 611 1HE LYS 76 HE2 LYS 76 52.709 8.497 14.037 612 2HE LYS 76 HE1 LYS 76 53.121 9.923 14.990 613 1HZ LYS 76 HZ1 LYS 76 53.848 8.604 16.766 614 2HZ LYS 76 HZ2 LYS 76 54.497 7.860 15.383 615 3HZ LYS 76 HZ3 LYS 76 53.130 7.199 16.145 616 H ASN 77 HN ASN 77 48.506 13.941 17.385 617 HA ASN 77 HA ASN 77 48.518 16.286 17.175 618 1HB ASN 77 HB2 ASN 77 50.866 15.773 18.473 619 2HB ASN 77 HB1 ASN 77 51.460 16.527 16.993 620 1HD2 ASN 77 HD21 ASN 77 51.884 18.041 19.216 621 2HD2 ASN 77 HD22 ASN 77 50.773 19.321 19.321 Start of MODEL 17 1 1H MET 1 HT1 MET 1 38.386 5.838 9.036 2 2H MET 1 HT2 MET 1 38.116 5.985 7.365 3 3H MET 1 HT3 MET 1 36.819 6.123 8.453 4 HA MET 1 HA MET 1 38.850 8.075 7.714 5 1HB MET 1 HB2 MET 1 36.430 8.199 7.061 6 2HB MET 1 HB1 MET 1 36.019 8.338 8.771 7 1HG MET 1 HG2 MET 1 37.851 10.284 8.659 8 2HG MET 1 HG1 MET 1 37.341 10.318 6.971 9 1HE MET 1 HE1 MET 1 37.316 11.812 9.824 10 2HE MET 1 HE2 MET 1 35.973 11.207 10.791 11 3HE MET 1 HE3 MET 1 35.834 12.765 9.980 12 H ASP 2 HN ASP 2 40.203 8.915 9.221 13 HA ASP 2 HA ASP 2 39.261 8.992 12.056 14 1HB ASP 2 HB2 ASP 2 41.888 8.753 12.467 15 2HB ASP 2 HB1 ASP 2 40.855 7.334 12.289 16 H ARG 3 HN ARG 3 42.349 10.091 10.709 17 HA ARG 3 HA ARG 3 41.854 12.764 11.811 18 1HB ARG 3 HB2 ARG 3 44.147 11.208 11.072 19 2HB ARG 3 HB1 ARG 3 44.196 12.735 10.189 20 1HG ARG 3 HG2 ARG 3 44.645 13.915 12.062 21 2HG ARG 3 HG1 ARG 3 43.379 13.090 12.972 22 1HD ARG 3 HD2 ARG 3 44.899 11.786 13.996 23 2HD ARG 3 HD1 ARG 3 45.544 11.259 12.441 24 HE ARG 3 HE ARG 3 46.418 13.890 13.519 25 1HH1 ARG 3 HH11 ARG 3 47.689 12.554 11.134 26 2HH1 ARG 3 HH12 ARG 3 49.112 11.858 11.836 27 1HH2 ARG 3 HH21 ARG 3 47.971 12.156 15.096 28 2HH2 ARG 3 HH22 ARG 3 49.271 11.633 14.079 29 H PHE 4 HN PHE 4 42.469 14.681 10.293 30 HA PHE 4 HA PHE 4 41.079 14.246 7.679 31 1HB PHE 4 HB2 PHE 4 41.082 16.520 9.636 32 2HB PHE 4 HB1 PHE 4 40.835 16.867 7.925 33 HD1 PHE 4 HD1 PHE 4 39.018 15.534 6.678 34 HD2 PHE 4 HD2 PHE 4 39.312 15.698 10.960 35 HE1 PHE 4 HE1 PHE 4 36.657 14.799 6.868 36 HE2 PHE 4 HE2 PHE 4 36.951 14.963 11.151 37 HZ PHE 4 HZ PHE 4 35.624 14.514 9.105 38 H HIS 5 HN HIS 5 43.238 13.608 6.828 39 HA HIS 5 HA HIS 5 44.978 15.995 6.345 40 1HB HIS 5 HB2 HIS 5 46.704 14.077 5.816 41 2HB HIS 5 HB1 HIS 5 46.381 14.522 7.492 42 HD1 HIS 5 HD1 HIS 5 44.424 12.289 5.088 43 HD2 HIS 5 HD2 HIS 5 46.204 12.127 8.854 44 HE1 HIS 5 HE1 HIS 5 43.888 10.003 6.036 45 H ALA 6 HN ALA 6 46.061 15.975 4.188 46 HA ALA 6 HA ALA 6 44.704 14.316 2.136 47 1HB ALA 6 HB1 ALA 6 43.805 16.082 0.936 48 2HB ALA 6 HB2 ALA 6 44.971 17.243 1.569 49 3HB ALA 6 HB3 ALA 6 43.624 16.709 2.574 50 H THR 7 HN THR 7 46.083 13.801 0.457 51 HA THR 7 HA THR 7 48.668 15.291 0.305 52 HB THR 7 HB THR 7 48.694 12.372 -0.282 53 HG1 THR 7 HG1 THR 7 48.965 11.965 1.969 54 1HG2 THR 7 HG21 THR 7 50.701 13.553 1.496 55 2HG2 THR 7 HG22 THR 7 50.562 14.399 -0.046 56 3HG2 THR 7 HG23 THR 7 50.919 12.672 -0.016 57 H SER 8 HN SER 8 49.816 14.158 -1.848 58 HA SER 8 HA SER 8 47.811 14.657 -3.997 59 1HB SER 8 HB2 SER 8 50.535 15.467 -3.597 60 2HB SER 8 HB1 SER 8 50.448 14.482 -5.054 61 HG SER 8 HG SER 8 49.752 16.989 -4.783 62 H ALA 9 HN ALA 9 47.640 13.179 -5.753 63 HA ALA 9 HA ALA 9 47.738 10.441 -5.185 64 1HB ALA 9 HB1 ALA 9 47.043 10.142 -7.346 65 2HB ALA 9 HB2 ALA 9 48.310 11.177 -8.004 66 3HB ALA 9 HB3 ALA 9 46.862 11.896 -7.300 67 H ASP 10 HN ASP 10 49.264 8.787 -5.607 68 HA ASP 10 HA ASP 10 51.842 9.381 -6.826 69 1HB ASP 10 HB2 ASP 10 51.907 10.318 -4.403 70 2HB ASP 10 HB1 ASP 10 51.953 8.625 -3.909 71 H CYS 11 HN CYS 11 50.956 7.529 -8.047 72 HA CYS 11 HA CYS 11 51.077 4.948 -6.554 73 1HB CYS 11 HB2 CYS 11 49.974 5.503 -9.325 74 2HB CYS 11 HB1 CYS 11 49.839 3.991 -8.427 75 H CYS 12 HN CYS 12 52.193 3.139 -7.670 76 HA CYS 12 HA CYS 12 54.782 3.977 -8.673 77 1HB CYS 12 HB2 CYS 12 53.434 1.378 -8.085 78 2HB CYS 12 HB1 CYS 12 54.824 1.351 -9.170 79 H ILE 13 HN ILE 13 55.629 3.593 -10.793 80 HA ILE 13 HA ILE 13 53.525 3.210 -12.888 81 HB ILE 13 HB ILE 13 55.990 4.977 -12.921 82 1HG1 ILE 13 HG12 ILE 13 53.212 5.915 -13.506 83 2HG1 ILE 13 HG11 ILE 13 53.621 5.573 -11.824 84 1HG2 ILE 13 HG21 ILE 13 54.609 3.672 -15.077 85 2HG2 ILE 13 HG22 ILE 13 55.967 4.794 -15.163 86 3HG2 ILE 13 HG23 ILE 13 54.314 5.408 -15.176 87 1HD1 ILE 13 HD11 ILE 13 54.838 7.605 -13.683 88 2HD1 ILE 13 HD12 ILE 13 55.754 6.997 -12.303 89 3HD1 ILE 13 HD13 ILE 13 54.222 7.832 -12.046 90 H SER 14 HN SER 14 56.963 2.754 -12.078 91 HA SER 14 HA SER 14 56.932 0.238 -13.630 92 1HB SER 14 HB2 SER 14 58.936 0.830 -14.907 93 2HB SER 14 HB1 SER 14 57.656 1.993 -15.241 94 HG SER 14 HG SER 14 58.636 3.345 -13.639 95 H TYR 15 HN TYR 15 58.639 -1.200 -12.973 96 HA TYR 15 HA TYR 15 59.830 -0.439 -10.348 97 1HB TYR 15 HB2 TYR 15 59.614 -3.207 -11.561 98 2HB TYR 15 HB1 TYR 15 59.989 -2.799 -9.886 99 HD1 TYR 15 HD1 TYR 15 57.399 -3.653 -12.162 100 HD2 TYR 15 HD2 TYR 15 58.196 -1.347 -8.627 101 HE1 TYR 15 HE1 TYR 15 54.979 -3.649 -11.620 102 HE2 TYR 15 HE2 TYR 15 55.775 -1.343 -8.085 103 HH TYR 15 HH TYR 15 53.449 -3.164 -10.054 104 H THR 16 HN THR 16 62.017 -0.219 -10.174 105 HA THR 16 HA THR 16 63.758 0.077 -12.310 106 HB THR 16 HB THR 16 64.513 0.738 -10.145 107 HG1 THR 16 HG1 THR 16 65.985 -0.560 -11.690 108 1HG2 THR 16 HG21 THR 16 63.761 -2.067 -9.436 109 2HG2 THR 16 HG22 THR 16 63.443 -0.567 -8.565 110 3HG2 THR 16 HG23 THR 16 65.050 -1.292 -8.515 111 HA PRO 17 HA PRO 17 63.762 -4.261 -13.580 112 1HB PRO 17 HB2 PRO 17 64.562 -3.709 -16.152 113 2HB PRO 17 HB1 PRO 17 62.876 -3.628 -15.611 114 1HG PRO 17 HG2 PRO 17 64.770 -1.398 -16.194 115 2HG PRO 17 HG1 PRO 17 63.001 -1.418 -16.277 116 1HD PRO 17 HD2 PRO 17 64.544 -0.299 -14.188 117 2HD PRO 17 HD1 PRO 17 62.801 -0.636 -14.131 118 H ARG 18 HN ARG 18 65.821 -3.736 -11.976 119 HA ARG 18 HA ARG 18 68.142 -4.783 -13.447 120 1HB ARG 18 HB2 ARG 18 68.052 -2.029 -12.243 121 2HB ARG 18 HB1 ARG 18 69.568 -2.930 -12.253 122 1HG ARG 18 HG2 ARG 18 69.373 -3.229 -14.698 123 2HG ARG 18 HG1 ARG 18 67.867 -2.311 -14.686 124 1HD ARG 18 HD2 ARG 18 69.050 -0.407 -14.853 125 2HD ARG 18 HD1 ARG 18 69.797 -0.757 -13.295 126 HE ARG 18 HE ARG 18 71.125 -2.281 -15.314 127 1HH1 ARG 18 HH21 ARG 18 70.659 0.593 -16.428 128 2HH1 ARG 18 HH22 ARG 18 72.179 1.319 -16.024 129 1HH2 ARG 18 HH11 ARG 18 73.098 -1.201 -13.826 130 2HH2 ARG 18 HH12 ARG 18 73.560 0.303 -14.551 131 H SER 19 HN SER 19 69.943 -5.305 -11.840 132 HA SER 19 HA SER 19 68.694 -6.354 -9.367 133 1HB SER 19 HB2 SER 19 71.241 -6.923 -10.862 134 2HB SER 19 HB1 SER 19 71.082 -7.409 -9.177 135 HG SER 19 HG SER 19 70.222 -9.096 -10.183 136 H ILE 20 HN ILE 20 68.568 -4.501 -8.039 137 HA ILE 20 HA ILE 20 71.158 -3.148 -7.435 138 HB ILE 20 HB ILE 20 68.297 -2.263 -6.967 139 1HG1 ILE 20 HG12 ILE 20 70.351 -0.814 -8.611 140 2HG1 ILE 20 HG11 ILE 20 69.520 -2.204 -9.311 141 1HG2 ILE 20 HG21 ILE 20 69.061 -0.715 -5.518 142 2HG2 ILE 20 HG22 ILE 20 70.347 -0.237 -6.626 143 3HG2 ILE 20 HG23 ILE 20 70.599 -1.577 -5.508 144 1HD1 ILE 20 HD11 ILE 20 68.112 -0.432 -9.915 145 2HD1 ILE 20 HD12 ILE 20 68.366 0.416 -8.390 146 3HD1 ILE 20 HD13 ILE 20 67.353 -1.027 -8.438 147 HA PRO 21 HA PRO 21 70.785 -5.457 -3.609 148 1HB PRO 21 HB2 PRO 21 73.291 -4.790 -2.695 149 2HB PRO 21 HB1 PRO 21 72.990 -6.076 -3.877 150 1HG PRO 21 HG2 PRO 21 74.118 -3.351 -4.316 151 2HG PRO 21 HG1 PRO 21 74.370 -4.834 -5.252 152 1HD PRO 21 HD2 PRO 21 72.657 -2.697 -5.965 153 2HD PRO 21 HD1 PRO 21 72.669 -4.315 -6.699 154 H CYS 22 HN CYS 22 70.756 -4.840 -1.300 155 HA CYS 22 HA CYS 22 69.583 -2.334 -0.760 156 1HB CYS 22 HB2 CYS 22 71.187 -3.935 1.245 157 2HB CYS 22 HB1 CYS 22 69.798 -2.897 1.551 158 H SER 23 HN SER 23 72.970 -3.304 -0.805 159 HA SER 23 HA SER 23 74.201 -1.228 0.590 160 1HB SER 23 HB2 SER 23 76.131 -1.552 -0.851 161 2HB SER 23 HB1 SER 23 75.381 -3.119 -0.564 162 HG SER 23 HG SER 23 75.744 -1.775 -2.880 163 H LEU 24 HN LEU 24 72.430 -1.060 -2.402 164 HA LEU 24 HA LEU 24 73.339 1.752 -2.807 165 1HB LEU 24 HB2 LEU 24 71.764 -0.087 -4.639 166 2HB LEU 24 HB1 LEU 24 72.291 1.549 -5.039 167 HG LEU 24 HG LEU 24 74.054 -0.844 -4.453 168 1HD1 LEU 24 HD11 LEU 24 74.776 0.463 -6.834 169 2HD1 LEU 24 HD12 LEU 24 73.013 0.416 -6.851 170 3HD1 LEU 24 HD13 LEU 24 73.933 -1.080 -6.691 171 1HD2 LEU 24 HD21 LEU 24 75.842 0.974 -5.130 172 2HD2 LEU 24 HD22 LEU 24 75.272 0.886 -3.464 173 3HD2 LEU 24 HD23 LEU 24 74.618 2.106 -4.556 174 H LEU 25 HN LEU 25 71.298 0.608 -0.806 175 HA LEU 25 HA LEU 25 69.062 2.433 -1.596 176 1HB LEU 25 HB2 LEU 25 68.906 -0.202 -0.100 177 2HB LEU 25 HB1 LEU 25 67.550 0.904 -0.322 178 HG LEU 25 HG LEU 25 69.089 -0.570 -2.473 179 1HD1 LEU 25 HD11 LEU 25 66.781 -1.193 -0.991 180 2HD1 LEU 25 HD12 LEU 25 67.342 -1.993 -2.459 181 3HD1 LEU 25 HD13 LEU 25 66.193 -0.660 -2.565 182 1HD2 LEU 25 HD21 LEU 25 67.492 1.922 -2.559 183 2HD2 LEU 25 HD22 LEU 25 67.058 0.714 -3.768 184 3HD2 LEU 25 HD23 LEU 25 68.709 1.327 -3.687 185 H GLU 26 HN GLU 26 68.457 3.910 -0.038 186 HA GLU 26 HA GLU 26 69.973 3.804 2.532 187 1HB GLU 26 HB2 GLU 26 70.255 5.817 1.030 188 2HB GLU 26 HB1 GLU 26 68.552 6.184 1.306 189 1HG GLU 26 HG2 GLU 26 69.262 5.919 3.853 190 2HG GLU 26 HG1 GLU 26 70.854 6.325 3.212 191 H SER 27 HN SER 27 66.767 3.922 1.125 192 HA SER 27 HA SER 27 65.571 3.077 3.632 193 1HB SER 27 HB2 SER 27 65.852 5.843 3.315 194 2HB SER 27 HB1 SER 27 64.181 5.517 2.860 195 HG SER 27 HG SER 27 65.414 4.488 5.199 196 H TYR 28 HN TYR 28 63.202 2.703 3.343 197 HA TYR 28 HA TYR 28 62.223 2.843 0.558 198 1HB TYR 28 HB2 TYR 28 61.829 0.493 0.335 199 2HB TYR 28 HB1 TYR 28 63.501 0.655 0.871 200 HD1 TYR 28 HD1 TYR 28 60.244 -0.698 1.631 201 HD2 TYR 28 HD2 TYR 28 64.014 0.420 3.360 202 HE1 TYR 28 HE1 TYR 28 59.741 -2.085 3.625 203 HE2 TYR 28 HE2 TYR 28 63.511 -0.967 5.354 204 HH TYR 28 HH TYR 28 60.874 -3.187 5.429 205 H PHE 29 HN PHE 29 59.886 2.275 0.450 206 HA PHE 29 HA PHE 29 58.430 2.013 2.978 207 1HB PHE 29 HB2 PHE 29 57.080 4.180 2.233 208 2HB PHE 29 HB1 PHE 29 58.519 4.315 3.242 209 HD1 PHE 29 HD1 PHE 29 57.018 5.123 0.054 210 HD2 PHE 29 HD2 PHE 29 60.761 4.766 2.131 211 HE1 PHE 29 HE1 PHE 29 58.119 6.493 -1.695 212 HE2 PHE 29 HE2 PHE 29 61.862 6.136 0.382 213 HZ PHE 29 HZ PHE 29 60.541 7.000 -1.531 214 H GLU 30 HN GLU 30 55.963 2.159 2.451 215 HA GLU 30 HA GLU 30 55.559 0.725 -0.129 216 1HB GLU 30 HB2 GLU 30 54.066 0.780 2.488 217 2HB GLU 30 HB1 GLU 30 53.274 0.218 1.016 218 1HG GLU 30 HG2 GLU 30 54.682 -1.623 0.796 219 2HG GLU 30 HG1 GLU 30 55.980 -0.869 1.722 220 H THR 31 HN THR 31 53.744 1.330 -1.477 221 HA THR 31 HA THR 31 53.290 4.216 -1.526 222 HB THR 31 HB THR 31 51.715 3.474 -3.477 223 HG1 THR 31 HG1 THR 31 52.044 1.201 -2.505 224 1HG2 THR 31 HG21 THR 31 53.542 3.556 -4.956 225 2HG2 THR 31 HG22 THR 31 54.608 2.718 -3.829 226 3HG2 THR 31 HG23 THR 31 54.144 4.392 -3.525 227 H ASN 32 HN ASN 32 50.874 4.908 -1.944 228 HA ASN 32 HA ASN 32 49.394 4.239 0.457 229 1HB ASN 32 HB2 ASN 32 48.782 5.913 -1.983 230 2HB ASN 32 HB1 ASN 32 47.587 5.654 -0.711 231 1HD2 ASN 32 HD21 ASN 32 49.294 8.121 -1.554 232 2HD2 ASN 32 HD22 ASN 32 49.962 8.654 -0.087 233 H SER 33 HN SER 33 47.501 2.994 0.630 234 HA SER 33 HA SER 33 47.223 0.807 -1.227 235 1HB SER 33 HB2 SER 33 45.545 1.781 1.090 236 2HB SER 33 HB1 SER 33 45.080 0.385 0.123 237 HG SER 33 HG SER 33 46.644 -0.736 0.999 238 H GLU 34 HN GLU 34 45.803 3.974 -1.016 239 HA GLU 34 HA GLU 34 43.393 3.548 -2.461 240 1HB GLU 34 HB2 GLU 34 45.169 5.997 -2.659 241 2HB GLU 34 HB1 GLU 34 43.425 5.919 -2.915 242 1HG GLU 34 HG2 GLU 34 43.928 4.809 -0.351 243 2HG GLU 34 HG1 GLU 34 44.854 6.307 -0.451 244 H CYS 35 HN CYS 35 46.681 3.412 -3.487 245 HA CYS 35 HA CYS 35 46.158 3.975 -6.299 246 1HB CYS 35 HB2 CYS 35 48.499 2.832 -4.774 247 2HB CYS 35 HB1 CYS 35 48.484 2.868 -6.537 248 H SER 36 HN SER 36 45.332 2.551 -7.754 249 HA SER 36 HA SER 36 44.310 0.018 -7.080 250 1HB SER 36 HB2 SER 36 44.790 1.522 -9.544 251 2HB SER 36 HB1 SER 36 44.932 -0.218 -9.777 252 HG SER 36 HG SER 36 42.881 -0.398 -8.716 253 H LYS 37 HN LYS 37 47.485 0.858 -8.451 254 HA LYS 37 HA LYS 37 48.348 -1.943 -7.841 255 1HB LYS 37 HB2 LYS 37 49.387 -0.096 -10.013 256 2HB LYS 37 HB1 LYS 37 49.970 -1.728 -9.683 257 1HG LYS 37 HG2 LYS 37 47.039 -1.382 -10.121 258 2HG LYS 37 HG1 LYS 37 48.092 -1.254 -11.531 259 1HD LYS 37 HD2 LYS 37 49.045 -3.476 -10.093 260 2HD LYS 37 HD1 LYS 37 47.287 -3.623 -10.067 261 1HE LYS 37 HE2 LYS 37 47.183 -3.437 -12.488 262 2HE LYS 37 HE1 LYS 37 48.915 -3.116 -12.574 263 1HZ LYS 37 HZ1 LYS 37 47.563 -5.606 -12.421 264 2HZ LYS 37 HZ2 LYS 37 48.657 -5.447 -11.132 265 3HZ LYS 37 HZ3 LYS 37 49.200 -5.294 -12.734 266 HA PRO 38 HA PRO 38 50.860 0.745 -5.166 267 1HB PRO 38 HB2 PRO 38 50.932 -1.069 -3.101 268 2HB PRO 38 HB1 PRO 38 49.622 0.103 -3.330 269 1HG PRO 38 HG2 PRO 38 49.624 -2.833 -3.850 270 2HG PRO 38 HG1 PRO 38 48.267 -1.764 -3.459 271 1HD PRO 38 HD2 PRO 38 48.921 -2.741 -6.036 272 2HD PRO 38 HD1 PRO 38 47.782 -1.426 -5.674 273 H GLY 39 HN GLY 39 52.959 -0.038 -3.868 274 1HA GLY 39 HA2 GLY 39 54.302 -2.404 -4.636 275 2HA GLY 39 HA1 GLY 39 54.793 -1.103 -5.715 276 H VAL 40 HN VAL 40 56.877 -1.891 -4.396 277 HA VAL 40 HA VAL 40 57.066 -0.345 -1.856 278 HB VAL 40 HB VAL 40 59.183 -2.189 -2.967 279 1HG1 VAL 40 HG11 VAL 40 59.514 -0.577 -0.973 280 2HG1 VAL 40 HG12 VAL 40 59.953 -2.267 -0.730 281 3HG1 VAL 40 HG13 VAL 40 58.427 -1.652 -0.094 282 1HG2 VAL 40 HG21 VAL 40 56.514 -2.905 -2.202 283 2HG2 VAL 40 HG22 VAL 40 57.623 -3.495 -0.964 284 3HG2 VAL 40 HG23 VAL 40 57.845 -3.974 -2.647 285 H ILE 41 HN ILE 41 58.333 1.477 -1.752 286 HA ILE 41 HA ILE 41 59.729 2.273 -4.265 287 HB ILE 41 HB ILE 41 59.039 4.049 -1.913 288 1HG1 ILE 41 HG12 ILE 41 57.179 4.735 -3.697 289 2HG1 ILE 41 HG11 ILE 41 57.372 3.053 -4.191 290 1HG2 ILE 41 HG21 ILE 41 59.305 5.836 -3.547 291 2HG2 ILE 41 HG22 ILE 41 59.544 4.661 -4.840 292 3HG2 ILE 41 HG23 ILE 41 60.751 4.827 -3.565 293 1HD1 ILE 41 HD11 ILE 41 56.163 2.363 -2.424 294 2HD1 ILE 41 HD12 ILE 41 55.887 4.049 -1.985 295 3HD1 ILE 41 HD13 ILE 41 57.271 3.179 -1.321 296 H PHE 42 HN PHE 42 61.912 2.100 -4.249 297 HA PHE 42 HA PHE 42 63.295 2.027 -1.605 298 1HB PHE 42 HB2 PHE 42 63.898 0.840 -4.301 299 2HB PHE 42 HB1 PHE 42 65.213 1.137 -3.164 300 HD1 PHE 42 HD1 PHE 42 62.917 -1.267 -4.221 301 HD2 PHE 42 HD2 PHE 42 64.580 0.403 -0.630 302 HE1 PHE 42 HE1 PHE 42 62.315 -3.330 -2.983 303 HE2 PHE 42 HE2 PHE 42 63.977 -1.660 0.609 304 HZ PHE 42 HZ PHE 42 62.844 -3.526 -0.568 305 H LEU 43 HN LEU 43 64.421 3.827 -1.061 306 HA LEU 43 HA LEU 43 65.076 5.785 -3.202 307 1HB LEU 43 HB2 LEU 43 63.823 6.398 -1.024 308 2HB LEU 43 HB1 LEU 43 65.390 6.227 -0.233 309 HG LEU 43 HG LEU 43 65.707 7.784 -2.632 310 1HD1 LEU 43 HD11 LEU 43 64.132 9.488 -0.886 311 2HD1 LEU 43 HD12 LEU 43 63.167 8.143 -1.494 312 3HD1 LEU 43 HD13 LEU 43 63.977 9.229 -2.623 313 1HD2 LEU 43 HD21 LEU 43 67.023 7.662 -0.387 314 2HD2 LEU 43 HD22 LEU 43 65.824 8.815 0.199 315 3HD2 LEU 43 HD23 LEU 43 66.855 9.234 -1.169 316 H THR 44 HN THR 44 67.177 6.101 -3.819 317 HA THR 44 HA THR 44 69.261 4.507 -2.441 318 HB THR 44 HB THR 44 70.582 4.801 -4.402 319 HG1 THR 44 HG1 THR 44 68.780 6.603 -5.539 320 1HG2 THR 44 HG21 THR 44 68.697 4.521 -6.270 321 2HG2 THR 44 HG22 THR 44 67.668 4.337 -4.850 322 3HG2 THR 44 HG23 THR 44 69.031 3.246 -5.099 323 H LYS 45 HN LYS 45 71.484 5.686 -2.317 324 HA LYS 45 HA LYS 45 71.076 8.106 -0.726 325 1HB LYS 45 HB2 LYS 45 72.794 6.237 -0.280 326 2HB LYS 45 HB1 LYS 45 73.744 6.972 -1.572 327 1HG LYS 45 HG2 LYS 45 73.797 9.099 -0.384 328 2HG LYS 45 HG1 LYS 45 72.735 8.459 0.870 329 1HD LYS 45 HD2 LYS 45 74.684 6.586 0.934 330 2HD LYS 45 HD1 LYS 45 75.631 7.983 0.422 331 1HE LYS 45 HE2 LYS 45 74.856 9.271 2.336 332 2HE LYS 45 HE1 LYS 45 73.774 7.964 2.818 333 1HZ LYS 45 HZ1 LYS 45 75.996 6.607 2.764 334 2HZ LYS 45 HZ2 LYS 45 75.563 7.521 4.129 335 3HZ LYS 45 HZ3 LYS 45 76.691 8.134 3.016 336 H LYS 46 HN LYS 46 71.049 7.710 -3.943 337 HA LYS 46 HA LYS 46 72.747 10.079 -4.546 338 1HB LYS 46 HB2 LYS 46 72.877 7.903 -5.912 339 2HB LYS 46 HB1 LYS 46 71.297 8.349 -6.557 340 1HG LYS 46 HG2 LYS 46 72.150 10.035 -7.829 341 2HG LYS 46 HG1 LYS 46 73.302 10.520 -6.584 342 1HD LYS 46 HD2 LYS 46 74.001 7.904 -7.568 343 2HD LYS 46 HD1 LYS 46 73.835 9.019 -8.925 344 1HE LYS 46 HE2 LYS 46 75.910 9.751 -8.416 345 2HE LYS 46 HE1 LYS 46 75.186 10.512 -6.999 346 1HZ LYS 46 HZ1 LYS 46 75.608 8.536 -5.724 347 2HZ LYS 46 HZ2 LYS 46 77.059 9.050 -6.444 348 3HZ LYS 46 HZ3 LYS 46 76.210 7.726 -7.087 349 H GLY 47 HN GLY 47 70.077 10.130 -3.175 350 1HA GLY 47 HA2 GLY 47 68.156 11.457 -3.220 351 2HA GLY 47 HA1 GLY 47 68.998 12.422 -4.428 352 H ARG 48 HN ARG 48 68.218 8.998 -4.781 353 HA ARG 48 HA ARG 48 66.133 9.725 -6.787 354 1HB ARG 48 HB2 ARG 48 68.712 8.449 -7.270 355 2HB ARG 48 HB1 ARG 48 67.369 7.442 -7.810 356 1HG ARG 48 HG2 ARG 48 66.491 9.756 -8.790 357 2HG ARG 48 HG1 ARG 48 68.210 10.149 -8.760 358 1HD ARG 48 HD2 ARG 48 68.535 7.849 -9.921 359 2HD ARG 48 HD1 ARG 48 66.812 7.954 -10.279 360 HE ARG 48 HE ARG 48 68.900 9.798 -11.322 361 1HH1 ARG 48 HH21 ARG 48 66.026 10.847 -10.706 362 2HH1 ARG 48 HH22 ARG 48 65.334 10.761 -12.291 363 1HH2 ARG 48 HH11 ARG 48 67.851 8.749 -13.571 364 2HH2 ARG 48 HH12 ARG 48 66.367 9.574 -13.913 365 H ARG 49 HN ARG 49 64.689 7.848 -7.274 366 HA ARG 49 HA ARG 49 64.792 5.584 -5.399 367 1HB ARG 49 HB2 ARG 49 62.599 6.029 -4.413 368 2HB ARG 49 HB1 ARG 49 63.671 7.394 -4.099 369 1HG ARG 49 HG2 ARG 49 62.707 8.512 -6.149 370 2HG ARG 49 HG1 ARG 49 61.517 7.212 -6.220 371 1HD ARG 49 HD2 ARG 49 60.875 7.782 -3.847 372 2HD ARG 49 HD1 ARG 49 61.920 9.197 -3.968 373 HE ARG 49 HE ARG 49 60.321 9.546 -6.135 374 1HH1 ARG 49 HH11 ARG 49 60.021 9.847 -2.814 375 2HH1 ARG 49 HH12 ARG 49 58.298 10.030 -2.804 376 1HH2 ARG 49 HH21 ARG 49 57.932 9.264 -6.166 377 2HH2 ARG 49 HH22 ARG 49 57.116 9.700 -4.701 378 H PHE 50 HN PHE 50 63.324 3.885 -6.027 379 HA PHE 50 HA PHE 50 61.766 4.318 -8.513 380 1HB PHE 50 HB2 PHE 50 62.806 2.114 -9.380 381 2HB PHE 50 HB1 PHE 50 63.788 3.575 -9.496 382 HD1 PHE 50 HD1 PHE 50 65.967 3.513 -8.672 383 HD2 PHE 50 HD2 PHE 50 63.040 0.807 -7.072 384 HE1 PHE 50 HE1 PHE 50 67.715 2.450 -7.270 385 HE2 PHE 50 HE2 PHE 50 64.788 -0.256 -5.670 386 HZ PHE 50 HZ PHE 50 67.126 0.566 -5.769 387 H CYS 51 HN CYS 51 60.228 2.537 -8.892 388 HA CYS 51 HA CYS 51 59.194 1.479 -6.378 389 1HB CYS 51 HB2 CYS 51 58.321 1.315 -9.264 390 2HB CYS 51 HB1 CYS 51 57.507 0.403 -7.998 391 H ALA 52 HN ALA 52 58.859 -0.813 -5.971 392 HA ALA 52 HA ALA 52 60.524 -2.655 -7.612 393 1HB ALA 52 HB1 ALA 52 62.101 -2.669 -5.990 394 2HB ALA 52 HB2 ALA 52 60.925 -3.541 -5.007 395 3HB ALA 52 HB3 ALA 52 61.061 -1.788 -4.870 396 H ASN 53 HN ASN 53 59.954 -4.953 -7.192 397 HA ASN 53 HA ASN 53 57.067 -5.180 -6.585 398 1HB ASN 53 HB2 ASN 53 58.202 -6.187 -8.666 399 2HB ASN 53 HB1 ASN 53 58.870 -7.394 -7.568 400 1HD2 ASN 53 HD21 ASN 53 55.969 -6.365 -9.225 401 2HD2 ASN 53 HD22 ASN 53 54.964 -7.607 -8.654 402 HA PRO 54 HA PRO 54 58.071 -6.844 -2.598 403 1HB PRO 54 HB2 PRO 54 55.506 -7.586 -1.933 404 2HB PRO 54 HB1 PRO 54 56.099 -5.919 -1.844 405 1HG PRO 54 HG2 PRO 54 54.291 -7.164 -3.867 406 2HG PRO 54 HG1 PRO 54 54.393 -5.475 -3.342 407 1HD PRO 54 HD2 PRO 54 55.469 -6.516 -5.733 408 2HD PRO 54 HD1 PRO 54 55.879 -4.946 -5.009 409 H SER 55 HN SER 55 56.890 -8.554 -5.295 410 HA SER 55 HA SER 55 56.691 -11.162 -3.967 411 1HB SER 55 HB2 SER 55 56.813 -10.502 -6.925 412 2HB SER 55 HB1 SER 55 56.321 -12.038 -6.219 413 HG SER 55 HG SER 55 54.514 -10.758 -6.718 414 H ASP 56 HN ASP 56 59.214 -9.179 -5.032 415 HA ASP 56 HA ASP 56 61.011 -11.275 -5.967 416 1HB ASP 56 HB2 ASP 56 61.299 -8.931 -6.679 417 2HB ASP 56 HB1 ASP 56 61.600 -8.457 -5.007 418 H LYS 57 HN LYS 57 61.994 -12.718 -4.640 419 HA LYS 57 HA LYS 57 61.778 -12.698 -1.815 420 1HB LYS 57 HB2 LYS 57 63.855 -14.278 -2.010 421 2HB LYS 57 HB1 LYS 57 62.326 -14.787 -2.727 422 1HG LYS 57 HG2 LYS 57 63.838 -13.151 -4.586 423 2HG LYS 57 HG1 LYS 57 64.792 -14.534 -4.047 424 1HD LYS 57 HD2 LYS 57 62.148 -15.474 -4.511 425 2HD LYS 57 HD1 LYS 57 62.605 -14.495 -5.906 426 1HE LYS 57 HE2 LYS 57 64.608 -15.796 -6.253 427 2HE LYS 57 HE1 LYS 57 64.368 -16.664 -4.736 428 1HZ LYS 57 HZ1 LYS 57 62.103 -16.794 -6.497 429 2HZ LYS 57 HZ2 LYS 57 62.914 -18.042 -5.677 430 3HZ LYS 57 HZ3 LYS 57 63.501 -17.480 -7.169 431 H GLN 58 HN GLN 58 64.354 -11.471 -3.933 432 HA GLN 58 HA GLN 58 66.232 -10.827 -1.892 433 1HB GLN 58 HB2 GLN 58 66.635 -10.777 -4.397 434 2HB GLN 58 HB1 GLN 58 65.773 -9.238 -4.429 435 1HG GLN 58 HG2 GLN 58 67.502 -8.748 -2.406 436 2HG GLN 58 HG1 GLN 58 68.469 -9.873 -3.360 437 1HE2 GLN 58 HE21 GLN 58 69.087 -9.219 -5.542 438 2HE2 GLN 58 HE22 GLN 58 68.936 -7.609 -6.059 439 H VAL 59 HN VAL 59 63.326 -9.191 -2.996 440 HA VAL 59 HA VAL 59 63.891 -6.685 -1.649 441 HB VAL 59 HB VAL 59 61.298 -7.904 -2.642 442 1HG1 VAL 59 HG11 VAL 59 61.848 -5.535 -1.012 443 2HG1 VAL 59 HG12 VAL 59 60.307 -6.313 -1.374 444 3HG1 VAL 59 HG13 VAL 59 60.994 -5.147 -2.506 445 1HG2 VAL 59 HG21 VAL 59 61.581 -6.318 -4.493 446 2HG2 VAL 59 HG22 VAL 59 63.004 -7.352 -4.372 447 3HG2 VAL 59 HG23 VAL 59 63.061 -5.699 -3.760 448 H GLN 60 HN GLN 60 62.060 -9.618 -0.817 449 HA GLN 60 HA GLN 60 61.027 -8.641 1.673 450 1HB GLN 60 HB2 GLN 60 61.730 -11.516 1.025 451 2HB GLN 60 HB1 GLN 60 60.518 -10.942 2.171 452 1HG GLN 60 HG2 GLN 60 59.498 -9.739 0.073 453 2HG GLN 60 HG1 GLN 60 60.434 -10.929 -0.833 454 1HE2 GLN 60 HE21 GLN 60 60.165 -13.053 1.211 455 2HE2 GLN 60 HE22 GLN 60 58.553 -13.578 1.147 456 H VAL 61 HN VAL 61 64.076 -10.191 0.775 457 HA VAL 61 HA VAL 61 64.977 -10.505 3.523 458 HB VAL 61 HB VAL 61 66.634 -10.441 0.984 459 1HG1 VAL 61 HG11 VAL 61 68.286 -10.562 2.538 460 2HG1 VAL 61 HG12 VAL 61 67.759 -12.234 2.740 461 3HG1 VAL 61 HG13 VAL 61 67.161 -10.983 3.831 462 1HG2 VAL 61 HG21 VAL 61 65.261 -12.216 0.480 463 2HG2 VAL 61 HG22 VAL 61 64.814 -12.482 2.165 464 3HG2 VAL 61 HG23 VAL 61 66.366 -13.063 1.561 465 H CYS 62 HN CYS 62 65.077 -7.958 1.135 466 HA CYS 62 HA CYS 62 67.183 -6.448 2.484 467 1HB CYS 62 HB2 CYS 62 66.535 -6.324 -0.009 468 2HB CYS 62 HB1 CYS 62 65.183 -5.322 0.521 469 H MET 63 HN MET 63 63.637 -6.431 2.437 470 HA MET 63 HA MET 63 63.055 -4.028 3.699 471 1HB MET 63 HB2 MET 63 61.044 -5.024 4.498 472 2HB MET 63 HB1 MET 63 61.434 -5.894 3.015 473 1HG MET 63 HG2 MET 63 62.743 -7.493 4.657 474 2HG MET 63 HG1 MET 63 61.653 -6.811 5.863 475 1HE MET 63 HE1 MET 63 61.625 -10.056 4.990 476 2HE MET 63 HE2 MET 63 59.919 -10.106 5.425 477 3HE MET 63 HE3 MET 63 61.025 -9.086 6.341 478 H ARG 64 HN ARG 64 64.448 -6.934 5.156 479 HA ARG 64 HA ARG 64 64.350 -5.760 7.851 480 1HB ARG 64 HB2 ARG 64 64.165 -8.270 7.284 481 2HB ARG 64 HB1 ARG 64 65.911 -8.213 7.032 482 1HG ARG 64 HG2 ARG 64 66.312 -7.545 9.293 483 2HG ARG 64 HG1 ARG 64 64.602 -7.211 9.568 484 1HD ARG 64 HD2 ARG 64 64.129 -9.647 9.170 485 2HD ARG 64 HD1 ARG 64 65.869 -9.924 9.103 486 HE ARG 64 HE ARG 64 65.289 -8.542 11.522 487 1HH1 ARG 64 HH21 ARG 64 63.469 -11.093 10.442 488 2HH1 ARG 64 HH22 ARG 64 63.934 -12.207 11.685 489 1HH2 ARG 64 HH11 ARG 64 66.453 -10.176 12.930 490 2HH2 ARG 64 HH12 ARG 64 65.622 -11.687 13.094 491 H MET 65 HN MET 65 66.635 -6.116 5.214 492 HA MET 65 HA MET 65 69.035 -5.569 6.666 493 1HB MET 65 HB2 MET 65 69.040 -6.400 4.343 494 2HB MET 65 HB1 MET 65 68.336 -4.879 3.795 495 1HG MET 65 HG2 MET 65 70.375 -3.937 3.703 496 2HG MET 65 HG1 MET 65 70.640 -4.303 5.408 497 1HE MET 65 HE1 MET 65 72.591 -4.054 3.021 498 2HE MET 65 HE2 MET 65 73.703 -5.420 3.057 499 3HE MET 65 HE3 MET 65 73.378 -4.520 4.536 500 H LEU 66 HN LEU 66 66.935 -3.343 4.800 501 HA LEU 66 HA LEU 66 68.342 -0.986 5.709 502 1HB LEU 66 HB2 LEU 66 65.758 -1.512 4.271 503 2HB LEU 66 HB1 LEU 66 66.074 0.099 4.917 504 HG LEU 66 HG LEU 66 68.302 0.039 3.715 505 1HD1 LEU 66 HD11 LEU 66 68.713 -2.237 3.297 506 2HD1 LEU 66 HD12 LEU 66 68.205 -1.637 1.718 507 3HD1 LEU 66 HD13 LEU 66 67.068 -2.526 2.731 508 1HD2 LEU 66 HD21 LEU 66 65.643 -0.026 2.302 509 2HD2 LEU 66 HD22 LEU 66 67.128 0.211 1.380 510 3HD2 LEU 66 HD23 LEU 66 66.682 1.358 2.643 511 H LYS 67 HN LYS 67 65.759 -2.934 7.006 512 HA LYS 67 HA LYS 67 64.603 -0.996 8.769 513 1HB LYS 67 HB2 LYS 67 64.367 -3.819 8.281 514 2HB LYS 67 HB1 LYS 67 64.518 -3.549 10.018 515 1HG LYS 67 HG2 LYS 67 62.570 -2.085 8.212 516 2HG LYS 67 HG1 LYS 67 62.148 -3.454 9.242 517 1HD LYS 67 HD2 LYS 67 61.760 -1.959 10.885 518 2HD LYS 67 HD1 LYS 67 63.505 -1.706 10.948 519 1HE LYS 67 HE2 LYS 67 62.495 -0.223 8.730 520 2HE LYS 67 HE1 LYS 67 61.482 0.142 10.126 521 1HZ LYS 67 HZ1 LYS 67 64.422 0.118 10.358 522 2HZ LYS 67 HZ2 LYS 67 63.281 0.907 11.338 523 3HZ LYS 67 HZ3 LYS 67 63.614 1.492 9.778 524 H LEU 68 HN LEU 68 67.622 -2.669 8.834 525 HA LEU 68 HA LEU 68 67.990 -2.244 11.735 526 1HB LEU 68 HB2 LEU 68 69.052 -4.046 9.846 527 2HB LEU 68 HB1 LEU 68 70.396 -3.004 10.314 528 HG LEU 68 HG LEU 68 68.884 -3.664 12.662 529 1HD1 LEU 68 HD11 LEU 68 69.782 -6.026 10.982 530 2HD1 LEU 68 HD12 LEU 68 68.119 -5.640 11.422 531 3HD1 LEU 68 HD13 LEU 68 69.272 -6.118 12.668 532 1HD2 LEU 68 HD21 LEU 68 71.457 -5.009 12.328 533 2HD2 LEU 68 HD22 LEU 68 70.994 -3.751 13.474 534 3HD2 LEU 68 HD23 LEU 68 71.532 -3.312 11.853 535 H ASP 69 HN ASP 69 68.761 -0.334 12.481 536 HA ASP 69 HA ASP 69 69.700 1.735 10.691 537 1HB ASP 69 HB2 ASP 69 68.627 1.786 13.167 538 2HB ASP 69 HB1 ASP 69 70.335 1.914 13.592 539 H THR 70 HN THR 70 71.243 -0.789 12.540 540 HA THR 70 HA THR 70 73.524 -1.273 12.898 541 HB THR 70 HB THR 70 74.251 -0.130 10.265 542 HG1 THR 70 HG1 THR 70 72.613 -0.914 9.248 543 1HG2 THR 70 HG21 THR 70 74.308 -3.036 10.868 544 2HG2 THR 70 HG22 THR 70 75.304 -2.007 11.898 545 3HG2 THR 70 HG23 THR 70 75.551 -2.010 10.151 546 H ARG 71 HN ARG 71 73.005 1.054 14.185 547 HA ARG 71 HA ARG 71 75.155 2.937 13.314 548 1HB ARG 71 HB2 ARG 71 72.490 3.311 14.403 549 2HB ARG 71 HB1 ARG 71 73.697 4.112 15.410 550 1HG ARG 71 HG2 ARG 71 74.644 4.908 13.064 551 2HG ARG 71 HG1 ARG 71 72.983 4.616 12.547 552 1HD ARG 71 HD2 ARG 71 72.757 6.797 13.260 553 2HD ARG 71 HD1 ARG 71 72.453 5.974 14.790 554 HE ARG 71 HE ARG 71 75.165 6.312 14.859 555 1HH1 ARG 71 HH21 ARG 71 72.460 8.153 15.463 556 2HH1 ARG 71 HH22 ARG 71 73.262 9.688 15.430 557 1HH2 ARG 71 HH11 ARG 71 76.248 8.398 14.229 558 2HH2 ARG 71 HH12 ARG 71 75.407 9.826 14.731 559 H ILE 72 HN ILE 72 74.535 0.466 15.500 560 HA ILE 72 HA ILE 72 76.706 1.465 17.285 561 HB ILE 72 HB ILE 72 74.524 -0.287 18.367 562 1HG1 ILE 72 HG12 ILE 72 74.378 2.730 18.054 563 2HG1 ILE 72 HG11 ILE 72 73.319 1.554 17.275 564 1HG2 ILE 72 HG21 ILE 72 75.502 1.907 20.001 565 2HG2 ILE 72 HG22 ILE 72 76.838 0.944 19.370 566 3HG2 ILE 72 HG23 ILE 72 75.563 0.173 20.315 567 1HD1 ILE 72 HD11 ILE 72 71.984 1.563 19.083 568 2HD1 ILE 72 HD12 ILE 72 73.054 2.720 19.874 569 3HD1 ILE 72 HD13 ILE 72 73.328 0.989 20.071 570 H LYS 73 HN LYS 73 76.213 -1.199 18.759 571 HA LYS 73 HA LYS 73 78.056 -2.754 17.083 572 1HB LYS 73 HB2 LYS 73 77.567 -2.540 19.845 573 2HB LYS 73 HB1 LYS 73 77.051 -4.169 19.407 574 1HG LYS 73 HG2 LYS 73 79.330 -4.155 18.041 575 2HG LYS 73 HG1 LYS 73 79.769 -2.931 19.233 576 1HD LYS 73 HD2 LYS 73 80.401 -4.789 20.428 577 2HD LYS 73 HD1 LYS 73 78.699 -4.760 20.889 578 1HE LYS 73 HE2 LYS 73 79.071 -6.991 20.188 579 2HE LYS 73 HE1 LYS 73 78.298 -6.223 18.802 580 1HZ LYS 73 HZ1 LYS 73 80.277 -7.544 18.214 581 2HZ LYS 73 HZ2 LYS 73 81.234 -6.495 19.147 582 3HZ LYS 73 HZ3 LYS 73 80.419 -5.913 17.774 583 H THR 74 HN THR 74 74.666 -2.577 17.636 584 HA THR 74 HA THR 74 72.892 -3.981 16.987 585 HB THR 74 HB THR 74 73.049 -4.777 14.735 586 HG1 THR 74 HG1 THR 74 75.116 -5.013 13.759 587 1HG2 THR 74 HG21 THR 74 74.250 -2.221 15.472 588 2HG2 THR 74 HG22 THR 74 73.090 -2.587 14.195 589 3HG2 THR 74 HG23 THR 74 74.817 -2.799 13.906 590 H ARG 75 HN ARG 75 73.302 -5.322 18.953 591 HA ARG 75 HA ARG 75 74.954 -7.564 19.131 592 1HB ARG 75 HB2 ARG 75 73.637 -6.935 21.038 593 2HB ARG 75 HB1 ARG 75 72.131 -7.154 20.146 594 1HG ARG 75 HG2 ARG 75 72.112 -9.389 20.512 595 2HG ARG 75 HG1 ARG 75 73.829 -9.546 20.140 596 1HD ARG 75 HD2 ARG 75 73.813 -8.157 22.548 597 2HD ARG 75 HD1 ARG 75 72.509 -9.329 22.738 598 HE ARG 75 HE ARG 75 74.173 -10.973 22.929 599 1HH1 ARG 75 HH11 ARG 75 75.675 -8.069 22.117 600 2HH1 ARG 75 HH12 ARG 75 77.092 -8.796 21.435 601 1HH2 ARG 75 HH21 ARG 75 75.840 -12.025 21.601 602 2HH2 ARG 75 HH22 ARG 75 77.186 -11.035 21.143 603 H LYS 76 HN LYS 76 75.170 -9.239 17.736 604 HA LYS 76 HA LYS 76 72.705 -10.438 16.576 605 1HB LYS 76 HB2 LYS 76 73.865 -8.807 14.956 606 2HB LYS 76 HB1 LYS 76 75.175 -9.986 14.895 607 1HG LYS 76 HG2 LYS 76 72.978 -11.589 14.536 608 2HG LYS 76 HG1 LYS 76 72.481 -10.113 13.707 609 1HD LYS 76 HD2 LYS 76 73.825 -10.605 11.974 610 2HD LYS 76 HD1 LYS 76 75.221 -10.659 13.051 611 1HE LYS 76 HE2 LYS 76 73.794 -13.030 13.562 612 2HE LYS 76 HE1 LYS 76 73.798 -12.854 11.808 613 1HZ LYS 76 HZ1 LYS 76 76.330 -12.198 12.923 614 2HZ LYS 76 HZ2 LYS 76 75.944 -13.342 11.728 615 3HZ LYS 76 HZ3 LYS 76 75.862 -13.765 13.371 616 H ASN 77 HN ASN 77 75.021 -11.032 18.596 617 HA ASN 77 HA ASN 77 76.272 -12.916 19.232 618 1HB ASN 77 HB2 ASN 77 74.459 -14.519 17.433 619 2HB ASN 77 HB1 ASN 77 75.154 -14.978 18.988 620 1HD2 ASN 77 HD21 ASN 77 72.296 -15.064 18.396 621 2HD2 ASN 77 HD22 ASN 77 71.537 -13.946 19.424 Start of MODEL 18 1 1H MET 1 HT1 MET 1 47.676 -18.156 7.054 2 2H MET 1 HT2 MET 1 47.520 -19.848 7.044 3 3H MET 1 HT3 MET 1 47.307 -18.964 5.608 4 HA MET 1 HA MET 1 49.583 -20.192 6.277 5 1HB MET 1 HB2 MET 1 50.634 -18.466 4.674 6 2HB MET 1 HB1 MET 1 49.257 -19.387 4.070 7 1HG MET 1 HG2 MET 1 47.762 -17.569 4.386 8 2HG MET 1 HG1 MET 1 48.906 -16.705 5.413 9 1HE MET 1 HE1 MET 1 47.691 -17.138 1.627 10 2HE MET 1 HE2 MET 1 48.575 -18.544 2.214 11 3HE MET 1 HE3 MET 1 49.272 -17.542 0.943 12 H ASP 2 HN ASP 2 50.491 -19.928 8.320 13 HA ASP 2 HA ASP 2 50.746 -17.654 9.880 14 1HB ASP 2 HB2 ASP 2 52.956 -19.690 9.467 15 2HB ASP 2 HB1 ASP 2 52.714 -18.672 10.887 16 H ARG 3 HN ARG 3 52.205 -15.903 9.985 17 HA ARG 3 HA ARG 3 53.409 -15.151 7.416 18 1HB ARG 3 HB2 ARG 3 52.311 -13.738 9.548 19 2HB ARG 3 HB1 ARG 3 54.041 -13.426 9.690 20 1HG ARG 3 HG2 ARG 3 53.944 -12.983 7.129 21 2HG ARG 3 HG1 ARG 3 52.205 -12.825 7.379 22 1HD ARG 3 HD2 ARG 3 54.258 -11.285 8.985 23 2HD ARG 3 HD1 ARG 3 53.493 -10.649 7.529 24 HE ARG 3 HE ARG 3 51.318 -11.332 9.005 25 1HH1 ARG 3 HH21 ARG 3 52.928 -8.581 8.810 26 2HH1 ARG 3 HH22 ARG 3 52.802 -8.091 10.467 27 1HH2 ARG 3 HH11 ARG 3 51.715 -11.191 11.578 28 2HH2 ARG 3 HH12 ARG 3 52.115 -9.568 12.034 29 H PHE 4 HN PHE 4 54.977 -17.018 7.525 30 HA PHE 4 HA PHE 4 57.142 -16.767 9.505 31 1HB PHE 4 HB2 PHE 4 56.181 -18.800 7.662 32 2HB PHE 4 HB1 PHE 4 57.927 -18.590 7.525 33 HD1 PHE 4 HD1 PHE 4 55.156 -19.341 9.874 34 HD2 PHE 4 HD2 PHE 4 59.412 -19.215 9.306 35 HE1 PHE 4 HE1 PHE 4 55.476 -20.587 11.994 36 HE2 PHE 4 HE2 PHE 4 59.732 -20.461 11.426 37 HZ PHE 4 HZ PHE 4 57.764 -21.147 12.771 38 H HIS 5 HN HIS 5 59.422 -17.267 8.126 39 HA HIS 5 HA HIS 5 59.645 -14.891 6.323 40 1HB HIS 5 HB2 HIS 5 62.128 -15.058 6.974 41 2HB HIS 5 HB1 HIS 5 61.017 -14.506 8.227 42 HD1 HIS 5 HD1 HIS 5 60.944 -15.848 10.350 43 HD2 HIS 5 HD2 HIS 5 62.783 -17.939 7.247 44 HE1 HIS 5 HE1 HIS 5 61.860 -17.980 11.366 45 H ALA 6 HN ALA 6 61.204 -15.125 4.525 46 HA ALA 6 HA ALA 6 62.311 -17.682 3.807 47 1HB ALA 6 HB1 ALA 6 59.864 -16.876 2.214 48 2HB ALA 6 HB2 ALA 6 59.827 -18.096 3.487 49 3HB ALA 6 HB3 ALA 6 60.812 -18.353 2.047 50 H THR 7 HN THR 7 63.357 -15.102 3.864 51 HA THR 7 HA THR 7 63.301 -13.983 1.151 52 HB THR 7 HB THR 7 65.239 -12.569 2.206 53 HG1 THR 7 HG1 THR 7 65.612 -12.922 4.239 54 1HG2 THR 7 HG21 THR 7 62.350 -12.468 2.404 55 2HG2 THR 7 HG22 THR 7 63.496 -11.148 2.170 56 3HG2 THR 7 HG23 THR 7 63.100 -11.693 3.800 57 H SER 8 HN SER 8 64.504 -14.879 -0.450 58 HA SER 8 HA SER 8 66.518 -16.865 0.009 59 1HB SER 8 HB2 SER 8 65.556 -15.302 -2.347 60 2HB SER 8 HB1 SER 8 67.120 -16.101 -2.479 61 HG SER 8 HG SER 8 64.770 -17.395 -1.560 62 H ALA 9 HN ALA 9 66.672 -13.378 -0.559 63 HA ALA 9 HA ALA 9 69.633 -13.482 -0.285 64 1HB ALA 9 HB1 ALA 9 68.964 -12.153 -2.154 65 2HB ALA 9 HB2 ALA 9 69.421 -11.006 -0.895 66 3HB ALA 9 HB3 ALA 9 67.717 -11.333 -1.214 67 H ASP 10 HN ASP 10 70.532 -11.564 1.064 68 HA ASP 10 HA ASP 10 68.786 -10.952 3.394 69 1HB ASP 10 HB2 ASP 10 70.669 -12.968 3.511 70 2HB ASP 10 HB1 ASP 10 71.559 -11.579 4.137 71 H CYS 11 HN CYS 11 72.088 -10.461 2.089 72 HA CYS 11 HA CYS 11 71.921 -7.632 3.015 73 1HB CYS 11 HB2 CYS 11 74.382 -9.021 1.945 74 2HB CYS 11 HB1 CYS 11 74.297 -7.580 2.957 75 H CYS 12 HN CYS 12 72.825 -5.984 1.479 76 HA CYS 12 HA CYS 12 71.667 -6.362 -1.171 77 1HB CYS 12 HB2 CYS 12 72.969 -4.122 0.320 78 2HB CYS 12 HB1 CYS 12 72.934 -4.027 -1.441 79 H ILE 13 HN ILE 13 72.740 -7.094 -2.949 80 HA ILE 13 HA ILE 13 75.687 -7.443 -2.730 81 HB ILE 13 HB ILE 13 74.036 -9.357 -3.335 82 1HG1 ILE 13 HG12 ILE 13 76.472 -9.561 -3.523 83 2HG1 ILE 13 HG11 ILE 13 75.698 -10.324 -4.913 84 1HG2 ILE 13 HG21 ILE 13 74.249 -7.968 -6.024 85 2HG2 ILE 13 HG22 ILE 13 72.790 -8.032 -5.036 86 3HG2 ILE 13 HG23 ILE 13 73.465 -9.516 -5.708 87 1HD1 ILE 13 HD11 ILE 13 77.269 -7.779 -4.778 88 2HD1 ILE 13 HD12 ILE 13 75.979 -7.908 -5.974 89 3HD1 ILE 13 HD13 ILE 13 77.315 -9.059 -5.990 90 H SER 14 HN SER 14 73.194 -6.163 -4.931 91 HA SER 14 HA SER 14 75.269 -4.338 -6.042 92 1HB SER 14 HB2 SER 14 74.753 -6.436 -7.515 93 2HB SER 14 HB1 SER 14 73.235 -5.612 -7.863 94 HG SER 14 HG SER 14 74.344 -4.482 -9.232 95 H TYR 15 HN TYR 15 74.388 -2.333 -6.801 96 HA TYR 15 HA TYR 15 71.603 -1.839 -5.839 97 1HB TYR 15 HB2 TYR 15 73.789 0.202 -6.326 98 2HB TYR 15 HB1 TYR 15 72.249 0.467 -5.508 99 HD1 TYR 15 HD1 TYR 15 72.015 0.047 -3.190 100 HD2 TYR 15 HD2 TYR 15 75.432 -1.471 -5.304 101 HE1 TYR 15 HE1 TYR 15 73.039 -0.643 -1.039 102 HE2 TYR 15 HE2 TYR 15 76.457 -2.160 -3.153 103 HH TYR 15 HH TYR 15 74.709 -2.267 -0.237 104 H THR 16 HN THR 16 70.088 -1.264 -7.330 105 HA THR 16 HA THR 16 70.446 -1.484 -10.092 106 HB THR 16 HB THR 16 68.234 -1.354 -8.953 107 HG1 THR 16 HG1 THR 16 67.467 -0.769 -10.806 108 1HG2 THR 16 HG21 THR 16 69.142 0.770 -7.643 109 2HG2 THR 16 HG22 THR 16 67.422 0.585 -7.988 110 3HG2 THR 16 HG23 THR 16 68.417 1.630 -9.002 111 HA PRO 17 HA PRO 17 72.897 2.266 -10.580 112 1HB PRO 17 HB2 PRO 17 73.855 1.562 -13.060 113 2HB PRO 17 HB1 PRO 17 74.557 0.984 -11.539 114 1HG PRO 17 HG2 PRO 17 72.844 -0.483 -13.493 115 2HG PRO 17 HG1 PRO 17 74.052 -1.116 -12.362 116 1HD PRO 17 HD2 PRO 17 71.248 -1.190 -11.998 117 2HD PRO 17 HD1 PRO 17 72.470 -1.497 -10.746 118 H ARG 18 HN ARG 18 70.244 2.706 -10.891 119 HA ARG 18 HA ARG 18 70.136 4.344 -13.323 120 1HB ARG 18 HB2 ARG 18 68.567 1.822 -12.995 121 2HB ARG 18 HB1 ARG 18 67.753 3.206 -13.725 122 1HG ARG 18 HG2 ARG 18 70.364 1.975 -14.657 123 2HG ARG 18 HG1 ARG 18 68.805 1.845 -15.471 124 1HD ARG 18 HD2 ARG 18 69.015 4.552 -15.203 125 2HD ARG 18 HD1 ARG 18 70.711 4.105 -15.398 126 HE ARG 18 HE ARG 18 68.928 4.255 -17.537 127 1HH1 ARG 18 HH11 ARG 18 71.866 2.990 -17.009 128 2HH1 ARG 18 HH12 ARG 18 71.708 1.599 -18.030 129 1HH2 ARG 18 HH21 ARG 18 68.285 1.964 -18.447 130 2HH2 ARG 18 HH22 ARG 18 69.680 1.019 -18.843 131 H SER 19 HN SER 19 68.380 5.892 -13.224 132 HA SER 19 HA SER 19 67.495 6.391 -10.443 133 1HB SER 19 HB2 SER 19 68.511 8.202 -11.906 134 2HB SER 19 HB1 SER 19 67.050 8.125 -12.887 135 HG SER 19 HG SER 19 66.268 9.441 -11.451 136 H ILE 20 HN ILE 20 65.765 4.970 -10.107 137 HA ILE 20 HA ILE 20 63.603 4.851 -12.112 138 HB ILE 20 HB ILE 20 63.643 3.525 -9.394 139 1HG1 ILE 20 HG12 ILE 20 64.861 2.579 -12.009 140 2HG1 ILE 20 HG11 ILE 20 65.729 2.931 -10.514 141 1HG2 ILE 20 HG21 ILE 20 61.508 3.495 -10.608 142 2HG2 ILE 20 HG22 ILE 20 62.210 1.877 -10.574 143 3HG2 ILE 20 HG23 ILE 20 62.315 2.853 -12.038 144 1HD1 ILE 20 HD11 ILE 20 65.498 0.612 -10.383 145 2HD1 ILE 20 HD12 ILE 20 63.908 0.628 -11.145 146 3HD1 ILE 20 HD13 ILE 20 64.090 1.160 -9.474 147 HA PRO 21 HA PRO 21 61.272 7.952 -9.990 148 1HB PRO 21 HB2 PRO 21 58.905 7.543 -11.327 149 2HB PRO 21 HB1 PRO 21 60.290 8.400 -12.027 150 1HG PRO 21 HG2 PRO 21 59.293 5.652 -12.611 151 2HG PRO 21 HG1 PRO 21 60.216 6.754 -13.646 152 1HD PRO 21 HD2 PRO 21 61.262 4.537 -12.224 153 2HD PRO 21 HD1 PRO 21 62.208 5.823 -13.004 154 H CYS 22 HN CYS 22 59.545 8.077 -8.410 155 HA CYS 22 HA CYS 22 59.125 5.707 -6.862 156 1HB CYS 22 HB2 CYS 22 57.539 8.290 -6.818 157 2HB CYS 22 HB1 CYS 22 57.639 7.098 -5.527 158 H SER 23 HN SER 23 57.663 6.772 -9.729 159 HA SER 23 HA SER 23 54.965 5.885 -9.318 160 1HB SER 23 HB2 SER 23 56.446 5.817 -11.953 161 2HB SER 23 HB1 SER 23 54.720 6.043 -11.687 162 HG SER 23 HG SER 23 56.095 7.977 -12.103 163 H LEU 24 HN LEU 24 57.934 4.210 -10.223 164 HA LEU 24 HA LEU 24 56.403 1.693 -10.621 165 1HB LEU 24 HB2 LEU 24 59.393 2.001 -10.895 166 2HB LEU 24 HB1 LEU 24 58.335 0.820 -11.667 167 HG LEU 24 HG LEU 24 58.197 3.800 -12.198 168 1HD1 LEU 24 HD11 LEU 24 59.526 3.489 -14.115 169 2HD1 LEU 24 HD12 LEU 24 59.311 1.739 -14.093 170 3HD1 LEU 24 HD13 LEU 24 60.352 2.514 -12.899 171 1HD2 LEU 24 HD21 LEU 24 56.944 1.352 -13.475 172 2HD2 LEU 24 HD22 LEU 24 56.935 2.947 -14.228 173 3HD2 LEU 24 HD23 LEU 24 56.112 2.694 -12.689 174 H LEU 25 HN LEU 25 56.973 3.107 -7.970 175 HA LEU 25 HA LEU 25 58.253 0.755 -6.633 176 1HB LEU 25 HB2 LEU 25 58.422 3.679 -5.836 177 2HB LEU 25 HB1 LEU 25 59.087 2.334 -4.907 178 HG LEU 25 HG LEU 25 59.877 3.121 -7.727 179 1HD1 LEU 25 HD11 LEU 25 62.016 2.999 -5.807 180 2HD1 LEU 25 HD12 LEU 25 60.737 4.041 -5.183 181 3HD1 LEU 25 HD13 LEU 25 61.466 4.382 -6.753 182 1HD2 LEU 25 HD21 LEU 25 61.702 1.341 -7.178 183 2HD2 LEU 25 HD22 LEU 25 60.105 0.777 -7.670 184 3HD2 LEU 25 HD23 LEU 25 60.556 0.771 -5.965 185 H GLU 26 HN GLU 26 56.920 -0.234 -5.195 186 HA GLU 26 HA GLU 26 54.383 1.127 -4.475 187 1HB GLU 26 HB2 GLU 26 54.277 -1.180 -5.378 188 2HB GLU 26 HB1 GLU 26 55.265 -1.742 -4.029 189 1HG GLU 26 HG2 GLU 26 53.276 -0.354 -2.733 190 2HG GLU 26 HG1 GLU 26 52.404 -1.055 -4.097 191 H SER 27 HN SER 27 57.427 0.182 -3.111 192 HA SER 27 HA SER 27 57.033 1.671 -0.717 193 1HB SER 27 HB2 SER 27 55.687 -0.774 -0.628 194 2HB SER 27 HB1 SER 27 57.184 -1.077 0.249 195 HG SER 27 HG SER 27 56.525 0.208 1.782 196 H TYR 28 HN TYR 28 58.776 0.777 1.021 197 HA TYR 28 HA TYR 28 61.057 -0.588 -0.184 198 1HB TYR 28 HB2 TYR 28 62.606 1.281 -0.121 199 2HB TYR 28 HB1 TYR 28 61.227 1.737 -1.122 200 HD1 TYR 28 HD1 TYR 28 62.616 2.005 2.333 201 HD2 TYR 28 HD2 TYR 28 59.887 3.607 -0.572 202 HE1 TYR 28 HE1 TYR 28 62.175 3.943 3.816 203 HE2 TYR 28 HE2 TYR 28 59.446 5.545 0.911 204 HH TYR 28 HH TYR 28 59.667 6.292 3.071 205 H PHE 29 HN PHE 29 62.983 -0.451 1.441 206 HA PHE 29 HA PHE 29 62.346 0.239 4.190 207 1HB PHE 29 HB2 PHE 29 62.731 -2.317 4.826 208 2HB PHE 29 HB1 PHE 29 61.118 -1.705 4.463 209 HD1 PHE 29 HD1 PHE 29 59.971 -2.303 2.418 210 HD2 PHE 29 HD2 PHE 29 63.996 -3.615 3.140 211 HE1 PHE 29 HE1 PHE 29 59.794 -3.890 0.520 212 HE2 PHE 29 HE2 PHE 29 63.820 -5.202 1.242 213 HZ PHE 29 HZ PHE 29 61.719 -5.339 -0.068 214 H GLU 30 HN GLU 30 64.180 -0.497 5.662 215 HA GLU 30 HA GLU 30 66.719 -0.316 4.137 216 1HB GLU 30 HB2 GLU 30 65.938 0.177 7.005 217 2HB GLU 30 HB1 GLU 30 67.632 -0.037 6.561 218 1HG GLU 30 HG2 GLU 30 66.405 1.760 4.687 219 2HG GLU 30 HG1 GLU 30 66.061 2.320 6.325 220 H THR 31 HN THR 31 68.540 -1.732 4.825 221 HA THR 31 HA THR 31 67.589 -4.492 5.193 222 HB THR 31 HB THR 31 70.236 -4.810 5.090 223 HG1 THR 31 HG1 THR 31 69.902 -2.413 3.649 224 1HG2 THR 31 HG21 THR 31 69.312 -3.952 2.457 225 2HG2 THR 31 HG22 THR 31 68.126 -4.959 3.287 226 3HG2 THR 31 HG23 THR 31 69.761 -5.563 3.017 227 H ASN 32 HN ASN 32 68.917 -5.893 6.780 228 HA ASN 32 HA ASN 32 68.711 -4.664 9.422 229 1HB ASN 32 HB2 ASN 32 69.588 -6.961 10.152 230 2HB ASN 32 HB1 ASN 32 68.042 -6.950 9.303 231 1HD2 ASN 32 HD21 ASN 32 69.211 -9.351 9.101 232 2HD2 ASN 32 HD22 ASN 32 69.994 -9.574 7.611 233 H SER 33 HN SER 33 70.381 -3.847 10.623 234 HA SER 33 HA SER 33 72.884 -3.210 9.462 235 1HB SER 33 HB2 SER 33 73.607 -2.872 11.895 236 2HB SER 33 HB1 SER 33 72.195 -1.957 11.371 237 HG SER 33 HG SER 33 71.793 -4.518 12.406 238 H GLU 34 HN GLU 34 71.761 -6.162 10.862 239 HA GLU 34 HA GLU 34 74.175 -7.320 11.777 240 1HB GLU 34 HB2 GLU 34 71.939 -8.745 10.303 241 2HB GLU 34 HB1 GLU 34 73.100 -9.474 11.413 242 1HG GLU 34 HG2 GLU 34 72.153 -7.582 13.047 243 2HG GLU 34 HG1 GLU 34 70.739 -7.747 12.006 244 H CYS 35 HN CYS 35 72.944 -6.866 8.512 245 HA CYS 35 HA CYS 35 74.833 -8.599 7.201 246 1HB CYS 35 HB2 CYS 35 72.990 -6.401 6.362 247 2HB CYS 35 HB1 CYS 35 74.287 -6.851 5.255 248 H SER 36 HN SER 36 76.866 -8.111 6.325 249 HA SER 36 HA SER 36 78.413 -6.089 7.648 250 1HB SER 36 HB2 SER 36 78.944 -7.788 5.202 251 2HB SER 36 HB1 SER 36 80.133 -6.667 5.858 252 HG SER 36 HG SER 36 79.182 -9.078 6.854 253 H LYS 37 HN LYS 37 76.870 -6.236 4.455 254 HA LYS 37 HA LYS 37 77.685 -3.399 4.011 255 1HB LYS 37 HB2 LYS 37 76.632 -5.420 2.012 256 2HB LYS 37 HB1 LYS 37 77.233 -3.803 1.643 257 1HG LYS 37 HG2 LYS 37 79.440 -4.386 2.009 258 2HG LYS 37 HG1 LYS 37 79.023 -5.646 3.171 259 1HD LYS 37 HD2 LYS 37 78.794 -7.234 1.558 260 2HD LYS 37 HD1 LYS 37 78.014 -6.117 0.437 261 1HE LYS 37 HE2 LYS 37 80.947 -5.844 1.055 262 2HE LYS 37 HE1 LYS 37 80.395 -7.009 -0.148 263 1HZ LYS 37 HZ1 LYS 37 79.047 -4.632 -0.635 264 2HZ LYS 37 HZ2 LYS 37 80.254 -5.354 -1.587 265 3HZ LYS 37 HZ3 LYS 37 80.673 -4.216 -0.397 266 HA PRO 38 HA PRO 38 73.311 -2.805 4.945 267 1HB PRO 38 HB2 PRO 38 73.584 -0.122 5.477 268 2HB PRO 38 HB1 PRO 38 73.917 -1.395 6.662 269 1HG PRO 38 HG2 PRO 38 75.841 0.293 5.129 270 2HG PRO 38 HG1 PRO 38 76.045 -0.490 6.705 271 1HD PRO 38 HD2 PRO 38 77.092 -1.424 4.251 272 2HD PRO 38 HD1 PRO 38 76.983 -2.356 5.760 273 H GLY 39 HN GLY 39 71.666 -1.271 3.961 274 1HA GLY 39 HA2 GLY 39 72.154 0.504 1.867 275 2HA GLY 39 HA1 GLY 39 72.007 -1.091 1.138 276 H VAL 40 HN VAL 40 70.082 0.412 0.251 277 HA VAL 40 HA VAL 40 67.724 -0.110 2.018 278 HB VAL 40 HB VAL 40 68.195 2.077 -0.025 279 1HG1 VAL 40 HG11 VAL 40 65.892 2.822 0.581 280 2HG1 VAL 40 HG12 VAL 40 65.684 1.336 1.508 281 3HG1 VAL 40 HG13 VAL 40 65.901 1.261 -0.241 282 1HG2 VAL 40 HG21 VAL 40 67.884 3.553 1.906 283 2HG2 VAL 40 HG22 VAL 40 69.166 2.393 2.252 284 3HG2 VAL 40 HG23 VAL 40 67.560 2.164 2.943 285 H ILE 41 HN ILE 41 65.831 -0.941 0.981 286 HA ILE 41 HA ILE 41 66.316 -2.022 -1.767 287 HB ILE 41 HB ILE 41 64.830 -3.316 0.540 288 1HG1 ILE 41 HG12 ILE 41 67.304 -4.259 -0.935 289 2HG1 ILE 41 HG11 ILE 41 67.375 -3.334 0.566 290 1HG2 ILE 41 HG21 ILE 41 64.172 -5.019 -0.911 291 2HG2 ILE 41 HG22 ILE 41 65.434 -4.645 -2.085 292 3HG2 ILE 41 HG23 ILE 41 64.018 -3.602 -1.950 293 1HD1 ILE 41 HD11 ILE 41 67.471 -5.862 0.843 294 2HD1 ILE 41 HD12 ILE 41 65.795 -5.901 0.296 295 3HD1 ILE 41 HD13 ILE 41 66.219 -5.048 1.780 296 H PHE 42 HN PHE 42 64.662 -1.709 -3.236 297 HA PHE 42 HA PHE 42 62.225 -0.314 -2.200 298 1HB PHE 42 HB2 PHE 42 63.923 0.097 -4.626 299 2HB PHE 42 HB1 PHE 42 62.192 0.401 -4.770 300 HD1 PHE 42 HD1 PHE 42 61.288 2.436 -4.029 301 HD2 PHE 42 HD2 PHE 42 65.143 1.188 -2.604 302 HE1 PHE 42 HE1 PHE 42 61.576 4.621 -2.893 303 HE2 PHE 42 HE2 PHE 42 65.431 3.374 -1.469 304 HZ PHE 42 HZ PHE 42 63.647 5.090 -1.613 305 H LEU 43 HN LEU 43 60.232 -1.139 -2.811 306 HA LEU 43 HA LEU 43 60.304 -3.706 -4.318 307 1HB LEU 43 HB2 LEU 43 59.219 -3.502 -1.995 308 2HB LEU 43 HB1 LEU 43 57.944 -2.585 -2.800 309 HG LEU 43 HG LEU 43 58.458 -4.920 -4.360 310 1HD1 LEU 43 HD11 LEU 43 57.486 -5.903 -1.756 311 2HD1 LEU 43 HD12 LEU 43 59.194 -5.463 -1.772 312 3HD1 LEU 43 HD13 LEU 43 58.583 -6.665 -2.909 313 1HD2 LEU 43 HD21 LEU 43 56.326 -3.783 -4.335 314 2HD2 LEU 43 HD22 LEU 43 56.165 -4.016 -2.594 315 3HD2 LEU 43 HD23 LEU 43 56.068 -5.401 -3.682 316 H THR 44 HN THR 44 59.125 -3.953 -6.219 317 HA THR 44 HA THR 44 57.988 -1.437 -7.348 318 HB THR 44 HB THR 44 58.544 -2.233 -9.482 319 HG1 THR 44 HG1 THR 44 58.468 -4.292 -10.001 320 1HG2 THR 44 HG21 THR 44 60.507 -2.131 -7.619 321 2HG2 THR 44 HG22 THR 44 60.812 -2.468 -9.323 322 3HG2 THR 44 HG23 THR 44 60.695 -3.796 -8.168 323 H LYS 45 HN LYS 45 56.032 -1.769 -8.780 324 HA LYS 45 HA LYS 45 54.035 -3.328 -7.334 325 1HB LYS 45 HB2 LYS 45 53.654 -1.071 -8.483 326 2HB LYS 45 HB1 LYS 45 53.666 -1.960 -10.007 327 1HG LYS 45 HG2 LYS 45 51.682 -3.060 -9.543 328 2HG LYS 45 HG1 LYS 45 51.917 -2.965 -7.797 329 1HD LYS 45 HD2 LYS 45 50.459 -1.237 -7.840 330 2HD LYS 45 HD1 LYS 45 51.767 -0.301 -8.565 331 1HE LYS 45 HE2 LYS 45 50.040 -0.024 -10.124 332 2HE LYS 45 HE1 LYS 45 50.947 -1.373 -10.807 333 1HZ LYS 45 HZ1 LYS 45 48.450 -1.637 -10.636 334 2HZ LYS 45 HZ2 LYS 45 48.676 -1.788 -8.959 335 3HZ LYS 45 HZ3 LYS 45 49.391 -2.907 -10.019 336 H LYS 46 HN LYS 46 56.348 -4.280 -9.447 337 HA LYS 46 HA LYS 46 54.586 -6.256 -10.823 338 1HB LYS 46 HB2 LYS 46 57.457 -5.476 -11.422 339 2HB LYS 46 HB1 LYS 46 56.469 -6.589 -12.369 340 1HG LYS 46 HG2 LYS 46 54.794 -4.539 -12.433 341 2HG LYS 46 HG1 LYS 46 56.262 -3.611 -12.127 342 1HD LYS 46 HD2 LYS 46 57.115 -5.320 -14.086 343 2HD LYS 46 HD1 LYS 46 55.433 -5.069 -14.555 344 1HE LYS 46 HE2 LYS 46 56.707 -3.339 -15.627 345 2HE LYS 46 HE1 LYS 46 55.845 -2.577 -14.290 346 1HZ LYS 46 HZ1 LYS 46 57.804 -2.677 -12.949 347 2HZ LYS 46 HZ2 LYS 46 58.213 -1.948 -14.428 348 3HZ LYS 46 HZ3 LYS 46 58.639 -3.565 -14.129 349 H GLY 47 HN GLY 47 55.478 -6.415 -7.999 350 1HA GLY 47 HA2 GLY 47 56.316 -8.029 -6.532 351 2HA GLY 47 HA1 GLY 47 56.131 -9.156 -7.872 352 H ARG 48 HN ARG 48 58.185 -6.302 -7.991 353 HA ARG 48 HA ARG 48 60.563 -8.119 -8.024 354 1HB ARG 48 HB2 ARG 48 59.664 -6.031 -9.904 355 2HB ARG 48 HB1 ARG 48 61.361 -5.910 -9.442 356 1HG ARG 48 HG2 ARG 48 60.595 -8.668 -9.971 357 2HG ARG 48 HG1 ARG 48 60.293 -7.633 -11.367 358 1HD ARG 48 HD2 ARG 48 62.767 -6.764 -10.472 359 2HD ARG 48 HD1 ARG 48 62.842 -8.507 -10.217 360 HE ARG 48 HE ARG 48 61.924 -7.529 -12.867 361 1HH1 ARG 48 HH11 ARG 48 63.003 -10.296 -11.707 362 2HH1 ARG 48 HH12 ARG 48 64.465 -10.411 -12.628 363 1HH2 ARG 48 HH21 ARG 48 64.366 -7.113 -13.696 364 2HH2 ARG 48 HH22 ARG 48 65.238 -8.609 -13.754 365 H ARG 49 HN ARG 49 62.554 -7.131 -7.196 366 HA ARG 49 HA ARG 49 62.238 -4.601 -5.691 367 1HB ARG 49 HB2 ARG 49 63.424 -6.880 -4.166 368 2HB ARG 49 HB1 ARG 49 62.537 -5.475 -3.575 369 1HG ARG 49 HG2 ARG 49 60.462 -6.472 -4.649 370 2HG ARG 49 HG1 ARG 49 61.400 -7.943 -4.910 371 1HD ARG 49 HD2 ARG 49 60.536 -6.693 -2.312 372 2HD ARG 49 HD1 ARG 49 60.366 -8.364 -2.848 373 HE ARG 49 HE ARG 49 63.096 -7.296 -2.327 374 1HH1 ARG 49 HH11 ARG 49 60.407 -8.877 -0.965 375 2HH1 ARG 49 HH12 ARG 49 61.334 -10.122 -0.197 376 1HH2 ARG 49 HH21 ARG 49 64.338 -9.128 -1.616 377 2HH2 ARG 49 HH22 ARG 49 63.560 -10.264 -0.565 378 H PHE 50 HN PHE 50 64.315 -3.701 -5.056 379 HA PHE 50 HA PHE 50 66.752 -5.100 -5.934 380 1HB PHE 50 HB2 PHE 50 67.441 -3.212 -7.416 381 2HB PHE 50 HB1 PHE 50 66.026 -4.071 -8.026 382 HD1 PHE 50 HD1 PHE 50 64.035 -2.906 -8.480 383 HD2 PHE 50 HD2 PHE 50 67.013 -1.112 -5.957 384 HE1 PHE 50 HE1 PHE 50 62.738 -0.793 -8.453 385 HE2 PHE 50 HE2 PHE 50 65.716 1.001 -5.930 386 HZ PHE 50 HZ PHE 50 63.579 1.161 -7.178 387 H CYS 51 HN CYS 51 68.721 -3.747 -5.367 388 HA CYS 51 HA CYS 51 68.239 -2.423 -2.782 389 1HB CYS 51 HB2 CYS 51 70.696 -3.345 -4.271 390 2HB CYS 51 HB1 CYS 51 70.819 -2.328 -2.840 391 H ALA 52 HN ALA 52 69.267 -0.308 -2.327 392 HA ALA 52 HA ALA 52 69.875 1.365 -4.692 393 1HB ALA 52 HB1 ALA 52 67.311 1.363 -3.508 394 2HB ALA 52 HB2 ALA 52 67.946 2.530 -4.668 395 3HB ALA 52 HB3 ALA 52 68.104 2.831 -2.937 396 H ASN 53 HN ASN 53 71.045 3.293 -4.112 397 HA ASN 53 HA ASN 53 72.591 3.002 -1.660 398 1HB ASN 53 HB2 ASN 53 73.417 3.901 -3.930 399 2HB ASN 53 HB1 ASN 53 72.615 5.408 -3.486 400 1HD2 ASN 53 HD21 ASN 53 74.927 3.027 -2.054 401 2HD2 ASN 53 HD22 ASN 53 75.860 4.198 -1.255 402 HA PRO 54 HA PRO 54 69.887 5.524 0.777 403 1HB PRO 54 HB2 PRO 54 71.570 5.782 2.939 404 2HB PRO 54 HB1 PRO 54 70.617 4.326 2.606 405 1HG PRO 54 HG2 PRO 54 73.542 4.786 2.223 406 2HG PRO 54 HG1 PRO 54 72.676 3.274 2.544 407 1HD PRO 54 HD2 PRO 54 73.647 4.102 0.029 408 2HD PRO 54 HD1 PRO 54 72.460 2.809 0.306 409 H SER 55 HN SER 55 73.048 6.426 -0.301 410 HA SER 55 HA SER 55 72.772 9.202 0.686 411 1HB SER 55 HB2 SER 55 74.949 7.562 -0.512 412 2HB SER 55 HB1 SER 55 74.981 9.288 -0.859 413 HG SER 55 HG SER 55 75.274 7.921 1.555 414 H ASP 56 HN ASP 56 71.446 7.512 -1.781 415 HA ASP 56 HA ASP 56 71.947 9.347 -3.993 416 1HB ASP 56 HB2 ASP 56 71.328 6.968 -4.360 417 2HB ASP 56 HB1 ASP 56 69.749 7.285 -3.641 418 H LYS 57 HN LYS 57 71.099 11.368 -4.014 419 HA LYS 57 HA LYS 57 69.157 12.371 -2.237 420 1HB LYS 57 HB2 LYS 57 70.650 13.368 -4.415 421 2HB LYS 57 HB1 LYS 57 68.961 13.709 -4.793 422 1HG LYS 57 HG2 LYS 57 69.037 15.438 -3.357 423 2HG LYS 57 HG1 LYS 57 69.281 14.285 -2.044 424 1HD LYS 57 HD2 LYS 57 71.185 15.607 -1.829 425 2HD LYS 57 HD1 LYS 57 71.783 14.321 -2.879 426 1HE LYS 57 HE2 LYS 57 72.243 15.827 -4.483 427 2HE LYS 57 HE1 LYS 57 70.549 16.315 -4.520 428 1HZ LYS 57 HZ1 LYS 57 70.907 17.981 -2.977 429 2HZ LYS 57 HZ2 LYS 57 72.317 18.053 -3.923 430 3HZ LYS 57 HZ3 LYS 57 72.349 17.298 -2.402 431 H GLN 58 HN GLN 58 68.705 11.116 -5.552 432 HA GLN 58 HA GLN 58 65.917 11.567 -5.748 433 1HB GLN 58 HB2 GLN 58 67.524 9.247 -6.867 434 2HB GLN 58 HB1 GLN 58 65.921 9.741 -7.414 435 1HG GLN 58 HG2 GLN 58 66.769 11.893 -8.144 436 2HG GLN 58 HG1 GLN 58 68.355 11.547 -7.453 437 1HE2 GLN 58 HE21 GLN 58 68.813 8.922 -8.309 438 2HE2 GLN 58 HE22 GLN 58 68.856 8.868 -10.004 439 H VAL 59 HN VAL 59 67.726 9.108 -4.023 440 HA VAL 59 HA VAL 59 65.427 7.398 -3.523 441 HB VAL 59 HB VAL 59 68.174 7.582 -2.264 442 1HG1 VAL 59 HG11 VAL 59 66.551 6.761 -0.599 443 2HG1 VAL 59 HG12 VAL 59 67.608 5.455 -1.135 444 3HG1 VAL 59 HG13 VAL 59 65.961 5.568 -1.756 445 1HG2 VAL 59 HG21 VAL 59 66.953 5.368 -3.926 446 2HG2 VAL 59 HG22 VAL 59 68.656 5.633 -3.553 447 3HG2 VAL 59 HG23 VAL 59 67.816 6.721 -4.657 448 H GLN 60 HN GLN 60 67.097 9.980 -1.748 449 HA GLN 60 HA GLN 60 65.538 9.697 0.662 450 1HB GLN 60 HB2 GLN 60 66.883 12.209 -0.375 451 2HB GLN 60 HB1 GLN 60 66.474 11.834 1.300 452 1HG GLN 60 HG2 GLN 60 68.269 9.992 -0.261 453 2HG GLN 60 HG1 GLN 60 68.929 11.446 0.488 454 1HE2 GLN 60 HE21 GLN 60 68.110 8.187 1.091 455 2HE2 GLN 60 HE22 GLN 60 68.169 8.238 2.787 456 H VAL 61 HN VAL 61 65.084 11.444 -2.362 457 HA VAL 61 HA VAL 61 62.839 13.020 -1.397 458 HB VAL 61 HB VAL 61 63.786 12.335 -4.195 459 1HG1 VAL 61 HG11 VAL 61 61.259 13.296 -3.386 460 2HG1 VAL 61 HG12 VAL 61 61.923 13.295 -5.020 461 3HG1 VAL 61 HG13 VAL 61 62.140 14.704 -3.981 462 1HG2 VAL 61 HG21 VAL 61 63.968 14.894 -2.574 463 2HG2 VAL 61 HG22 VAL 61 64.648 14.621 -4.178 464 3HG2 VAL 61 HG23 VAL 61 65.292 13.748 -2.787 465 H CYS 62 HN CYS 62 63.252 9.860 -2.881 466 HA CYS 62 HA CYS 62 60.452 9.488 -3.532 467 1HB CYS 62 HB2 CYS 62 62.575 8.199 -4.391 468 2HB CYS 62 HB1 CYS 62 62.317 7.202 -2.959 469 H MET 63 HN MET 63 62.496 8.677 -0.744 470 HA MET 63 HA MET 63 60.554 7.107 0.652 471 1HB MET 63 HB2 MET 63 61.947 7.387 2.584 472 2HB MET 63 HB1 MET 63 63.034 7.322 1.196 473 1HG MET 63 HG2 MET 63 63.875 9.304 1.859 474 2HG MET 63 HG1 MET 63 62.321 10.030 1.446 475 1HE MET 63 HE1 MET 63 64.565 10.414 4.713 476 2HE MET 63 HE2 MET 63 64.833 9.114 3.555 477 3HE MET 63 HE3 MET 63 64.256 8.735 5.176 478 H ARG 64 HN ARG 64 60.872 10.534 0.167 479 HA ARG 64 HA ARG 64 59.248 11.328 2.440 480 1HB ARG 64 HB2 ARG 64 60.902 12.763 1.024 481 2HB ARG 64 HB1 ARG 64 59.540 12.953 -0.081 482 1HG ARG 64 HG2 ARG 64 59.128 13.441 2.853 483 2HG ARG 64 HG1 ARG 64 59.888 14.690 1.866 484 1HD ARG 64 HD2 ARG 64 57.658 13.731 0.396 485 2HD ARG 64 HD1 ARG 64 57.102 14.003 2.047 486 HE ARG 64 HE ARG 64 58.241 16.083 0.252 487 1HH1 ARG 64 HH21 ARG 64 57.578 15.262 3.488 488 2HH1 ARG 64 HH22 ARG 64 56.834 16.776 3.882 489 1HH2 ARG 64 HH11 ARG 64 56.948 17.979 0.631 490 2HH2 ARG 64 HH12 ARG 64 56.478 18.315 2.264 491 H MET 65 HN MET 65 58.612 10.842 -1.036 492 HA MET 65 HA MET 65 55.805 11.509 -0.830 493 1HB MET 65 HB2 MET 65 57.377 11.382 -2.935 494 2HB MET 65 HB1 MET 65 56.890 9.687 -2.958 495 1HG MET 65 HG2 MET 65 54.470 10.813 -2.620 496 2HG MET 65 HG1 MET 65 55.271 12.130 -3.477 497 1HE MET 65 HE1 MET 65 54.198 8.468 -3.414 498 2HE MET 65 HE2 MET 65 53.606 8.298 -5.064 499 3HE MET 65 HE3 MET 65 52.927 9.541 -4.017 500 H LEU 66 HN LEU 66 57.634 8.459 -0.771 501 HA LEU 66 HA LEU 66 55.242 6.816 -0.594 502 1HB LEU 66 HB2 LEU 66 58.193 6.346 -0.308 503 2HB LEU 66 HB1 LEU 66 57.067 5.113 0.260 504 HG LEU 66 HG LEU 66 56.268 6.105 -2.344 505 1HD1 LEU 66 HD11 LEU 66 59.131 5.344 -1.922 506 2HD1 LEU 66 HD12 LEU 66 58.435 6.504 -3.054 507 3HD1 LEU 66 HD13 LEU 66 58.325 4.775 -3.384 508 1HD2 LEU 66 HD21 LEU 66 55.871 3.867 -0.960 509 2HD2 LEU 66 HD22 LEU 66 57.312 3.345 -1.832 510 3HD2 LEU 66 HD23 LEU 66 55.877 3.850 -2.724 511 H LYS 67 HN LYS 67 54.607 8.541 1.251 512 HA LYS 67 HA LYS 67 55.724 8.150 3.871 513 1HB LYS 67 HB2 LYS 67 53.998 9.956 2.824 514 2HB LYS 67 HB1 LYS 67 52.858 8.898 3.657 515 1HG LYS 67 HG2 LYS 67 53.596 10.674 5.174 516 2HG LYS 67 HG1 LYS 67 54.210 9.117 5.733 517 1HD LYS 67 HD2 LYS 67 56.388 9.641 5.238 518 2HD LYS 67 HD1 LYS 67 55.943 10.627 3.845 519 1HE LYS 67 HE2 LYS 67 55.657 12.525 5.104 520 2HE LYS 67 HE1 LYS 67 55.095 11.630 6.515 521 1HZ LYS 67 HZ1 LYS 67 57.236 11.135 7.165 522 2HZ LYS 67 HZ2 LYS 67 57.414 12.713 6.562 523 3HZ LYS 67 HZ3 LYS 67 57.889 11.382 5.619 524 H LEU 68 HN LEU 68 54.624 7.057 5.688 525 HA LEU 68 HA LEU 68 53.561 4.447 4.838 526 1HB LEU 68 HB2 LEU 68 54.518 5.629 7.429 527 2HB LEU 68 HB1 LEU 68 53.526 4.171 7.454 528 HG LEU 68 HG LEU 68 56.013 3.733 7.380 529 1HD1 LEU 68 HD11 LEU 68 54.152 2.198 6.470 530 2HD1 LEU 68 HD12 LEU 68 55.791 1.896 5.893 531 3HD1 LEU 68 HD13 LEU 68 54.641 2.758 4.871 532 1HD2 LEU 68 HD21 LEU 68 56.501 5.669 5.851 533 2HD2 LEU 68 HD22 LEU 68 55.729 4.772 4.543 534 3HD2 LEU 68 HD23 LEU 68 57.196 4.146 5.296 535 H ASP 69 HN ASP 69 52.452 6.092 7.741 536 HA ASP 69 HA ASP 69 49.663 5.646 6.852 537 1HB ASP 69 HB2 ASP 69 50.708 5.129 9.224 538 2HB ASP 69 HB1 ASP 69 50.384 6.839 9.509 539 H THR 70 HN THR 70 51.293 8.337 8.573 540 HA THR 70 HA THR 70 51.090 10.656 8.272 541 HB THR 70 HB THR 70 49.716 10.525 5.675 542 HG1 THR 70 HG1 THR 70 50.935 9.088 4.784 543 1HG2 THR 70 HG21 THR 70 51.805 11.846 5.065 544 2HG2 THR 70 HG22 THR 70 52.289 11.691 6.754 545 3HG2 THR 70 HG23 THR 70 50.805 12.549 6.336 546 H ARG 71 HN ARG 71 49.348 12.366 8.032 547 HA ARG 71 HA ARG 71 47.215 13.143 8.625 548 1HB ARG 71 HB2 ARG 71 46.708 11.913 6.452 549 2HB ARG 71 HB1 ARG 71 46.208 10.544 7.446 550 1HG ARG 71 HG2 ARG 71 44.183 11.502 7.651 551 2HG ARG 71 HG1 ARG 71 44.944 12.808 8.562 552 1HD ARG 71 HD2 ARG 71 45.518 13.869 6.317 553 2HD ARG 71 HD1 ARG 71 44.444 12.681 5.581 554 HE ARG 71 HE ARG 71 43.486 15.042 6.618 555 1HH1 ARG 71 HH21 ARG 71 41.892 12.487 5.814 556 2HH1 ARG 71 HH22 ARG 71 40.888 12.310 7.214 557 1HH2 ARG 71 HH11 ARG 71 42.753 14.496 9.155 558 2HH2 ARG 71 HH12 ARG 71 41.375 13.447 9.106 559 H ILE 72 HN ILE 72 47.847 12.771 10.903 560 HA ILE 72 HA ILE 72 47.321 11.991 13.053 561 HB ILE 72 HB ILE 72 45.084 10.400 11.798 562 1HG1 ILE 72 HG12 ILE 72 45.059 13.359 12.477 563 2HG1 ILE 72 HG11 ILE 72 45.112 12.709 10.838 564 1HG2 ILE 72 HG21 ILE 72 44.143 11.610 14.060 565 2HG2 ILE 72 HG22 ILE 72 45.843 11.396 14.478 566 3HG2 ILE 72 HG23 ILE 72 44.862 10.000 14.032 567 1HD1 ILE 72 HD11 ILE 72 42.980 11.575 12.535 568 2HD1 ILE 72 HD12 ILE 72 42.912 12.132 10.863 569 3HD1 ILE 72 HD13 ILE 72 42.801 13.294 12.184 570 H LYS 73 HN LYS 73 49.168 10.685 13.316 571 HA LYS 73 HA LYS 73 49.014 7.877 12.357 572 1HB LYS 73 HB2 LYS 73 51.103 9.530 12.253 573 2HB LYS 73 HB1 LYS 73 51.359 8.925 13.890 574 1HG LYS 73 HG2 LYS 73 52.078 6.927 13.130 575 2HG LYS 73 HG1 LYS 73 50.695 6.771 12.046 576 1HD LYS 73 HD2 LYS 73 52.447 6.892 10.516 577 2HD LYS 73 HD1 LYS 73 51.979 8.589 10.631 578 1HE LYS 73 HE2 LYS 73 54.044 7.486 12.515 579 2HE LYS 73 HE1 LYS 73 54.509 7.940 10.875 580 1HZ LYS 73 HZ1 LYS 73 53.304 10.109 11.379 581 2HZ LYS 73 HZ2 LYS 73 54.815 9.864 12.117 582 3HZ LYS 73 HZ3 LYS 73 53.385 9.646 13.008 583 H THR 74 HN THR 74 49.611 9.689 15.384 584 HA THR 74 HA THR 74 48.202 7.576 16.880 585 HB THR 74 HB THR 74 50.395 6.631 16.973 586 HG1 THR 74 HG1 THR 74 49.393 6.808 19.002 587 1HG2 THR 74 HG21 THR 74 51.204 9.334 16.618 588 2HG2 THR 74 HG22 THR 74 52.215 7.889 16.592 589 3HG2 THR 74 HG23 THR 74 51.952 8.755 18.106 590 H ARG 75 HN ARG 75 46.907 8.649 18.286 591 HA ARG 75 HA ARG 75 47.965 11.050 19.671 592 1HB ARG 75 HB2 ARG 75 45.520 10.970 17.901 593 2HB ARG 75 HB1 ARG 75 45.671 12.149 19.205 594 1HG ARG 75 HG2 ARG 75 48.128 12.336 17.976 595 2HG ARG 75 HG1 ARG 75 47.051 12.044 16.609 596 1HD ARG 75 HD2 ARG 75 45.622 13.909 17.300 597 2HD ARG 75 HD1 ARG 75 46.631 14.179 18.721 598 HE ARG 75 HE ARG 75 48.356 14.331 16.507 599 1HH1 ARG 75 HH11 ARG 75 47.153 16.416 18.630 600 2HH1 ARG 75 HH12 ARG 75 46.828 17.722 17.540 601 1HH2 ARG 75 HH21 ARG 75 47.241 15.795 14.687 602 2HH2 ARG 75 HH22 ARG 75 46.877 17.371 15.308 603 H LYS 76 HN LYS 76 45.211 8.808 19.303 604 HA LYS 76 HA LYS 76 45.167 8.434 22.222 605 1HB LYS 76 HB2 LYS 76 42.733 8.980 22.371 606 2HB LYS 76 HB1 LYS 76 43.723 10.389 21.985 607 1HG LYS 76 HG2 LYS 76 43.137 10.261 19.654 608 2HG LYS 76 HG1 LYS 76 42.354 8.696 19.880 609 1HD LYS 76 HD2 LYS 76 40.592 10.317 19.809 610 2HD LYS 76 HD1 LYS 76 40.774 9.861 21.504 611 1HE LYS 76 HE2 LYS 76 42.469 12.119 20.607 612 2HE LYS 76 HE1 LYS 76 40.736 12.440 20.644 613 1HZ LYS 76 HZ1 LYS 76 42.031 12.857 22.764 614 2HZ LYS 76 HZ2 LYS 76 42.136 11.168 22.917 615 3HZ LYS 76 HZ3 LYS 76 40.618 11.930 22.905 616 H ASN 77 HN ASN 77 45.582 6.852 19.699 617 HA ASN 77 HA ASN 77 43.237 5.056 19.662 618 1HB ASN 77 HB2 ASN 77 45.871 4.803 18.180 619 2HB ASN 77 HB1 ASN 77 44.382 3.920 17.842 620 1HD2 ASN 77 HD21 ASN 77 45.261 5.293 15.686 621 2HD2 ASN 77 HD22 ASN 77 44.392 6.731 15.448 Start of MODEL 19 1 1H MET 1 HT1 MET 1 83.579 -9.187 -16.140 2 2H MET 1 HT2 MET 1 83.763 -10.859 -16.380 3 3H MET 1 HT3 MET 1 82.348 -10.251 -15.661 4 HA MET 1 HA MET 1 81.963 -8.989 -17.800 5 1HB MET 1 HB2 MET 1 84.503 -10.147 -18.331 6 2HB MET 1 HB1 MET 1 83.346 -10.937 -19.403 7 1HG MET 1 HG2 MET 1 82.518 -8.710 -20.122 8 2HG MET 1 HG1 MET 1 83.728 -7.944 -19.092 9 1HE MET 1 HE1 MET 1 83.699 -10.158 -22.824 10 2HE MET 1 HE2 MET 1 83.125 -10.747 -21.266 11 3HE MET 1 HE3 MET 1 84.717 -11.228 -21.849 12 H ASP 2 HN ASP 2 79.906 -9.807 -17.679 13 HA ASP 2 HA ASP 2 78.151 -11.307 -18.133 14 1HB ASP 2 HB2 ASP 2 80.041 -12.035 -19.938 15 2HB ASP 2 HB1 ASP 2 79.951 -13.511 -18.976 16 H ARG 3 HN ARG 3 80.919 -13.368 -17.156 17 HA ARG 3 HA ARG 3 79.226 -14.829 -15.280 18 1HB ARG 3 HB2 ARG 3 81.012 -16.035 -16.386 19 2HB ARG 3 HB1 ARG 3 82.212 -14.881 -15.802 20 1HG ARG 3 HG2 ARG 3 82.189 -15.726 -13.658 21 2HG ARG 3 HG1 ARG 3 80.502 -16.229 -13.763 22 1HD ARG 3 HD2 ARG 3 81.053 -18.290 -14.518 23 2HD ARG 3 HD1 ARG 3 82.230 -17.643 -15.661 24 HE ARG 3 HE ARG 3 83.096 -17.597 -12.855 25 1HH1 ARG 3 HH21 ARG 3 84.017 -18.261 -15.968 26 2HH1 ARG 3 HH22 ARG 3 84.937 -19.682 -15.603 27 1HH2 ARG 3 HH11 ARG 3 83.837 -19.873 -12.320 28 2HH2 ARG 3 HH12 ARG 3 84.835 -20.594 -13.537 29 H PHE 4 HN PHE 4 81.728 -12.324 -15.064 30 HA PHE 4 HA PHE 4 81.330 -12.244 -12.112 31 1HB PHE 4 HB2 PHE 4 83.587 -11.797 -13.863 32 2HB PHE 4 HB1 PHE 4 83.294 -10.365 -12.876 33 HD1 PHE 4 HD1 PHE 4 83.910 -14.026 -12.762 34 HD2 PHE 4 HD2 PHE 4 83.684 -10.373 -10.513 35 HE1 PHE 4 HE1 PHE 4 84.907 -15.172 -10.801 36 HE2 PHE 4 HE2 PHE 4 84.681 -11.519 -8.552 37 HZ PHE 4 HZ PHE 4 85.292 -13.918 -8.696 38 H HIS 5 HN HIS 5 80.162 -10.778 -14.886 39 HA HIS 5 HA HIS 5 79.675 -8.204 -13.446 40 1HB HIS 5 HB2 HIS 5 80.738 -8.532 -15.937 41 2HB HIS 5 HB1 HIS 5 79.025 -8.371 -16.327 42 HD1 HIS 5 HD1 HIS 5 80.029 -6.004 -17.370 43 HD2 HIS 5 HD2 HIS 5 79.779 -6.307 -13.220 44 HE1 HIS 5 HE1 HIS 5 80.137 -3.638 -16.471 45 H ALA 6 HN ALA 6 77.524 -7.384 -13.409 46 HA ALA 6 HA ALA 6 75.285 -8.580 -14.692 47 1HB ALA 6 HB1 ALA 6 76.143 -9.807 -12.111 48 2HB ALA 6 HB2 ALA 6 75.312 -10.542 -13.483 49 3HB ALA 6 HB3 ALA 6 74.415 -9.540 -12.342 50 H THR 7 HN THR 7 73.197 -8.040 -13.163 51 HA THR 7 HA THR 7 73.659 -5.223 -12.290 52 HB THR 7 HB THR 7 72.021 -5.546 -14.120 53 HG1 THR 7 HG1 THR 7 71.302 -3.869 -13.074 54 1HG2 THR 7 HG21 THR 7 70.012 -6.792 -12.363 55 2HG2 THR 7 HG22 THR 7 71.354 -7.852 -12.796 56 3HG2 THR 7 HG23 THR 7 70.374 -7.107 -14.060 57 H SER 8 HN SER 8 74.400 -5.911 -10.157 58 HA SER 8 HA SER 8 72.386 -7.275 -8.459 59 1HB SER 8 HB2 SER 8 74.852 -6.353 -7.163 60 2HB SER 8 HB1 SER 8 74.136 -7.962 -7.195 61 HG SER 8 HG SER 8 74.998 -8.217 -9.290 62 H ALA 9 HN ALA 9 71.235 -4.998 -9.063 63 HA ALA 9 HA ALA 9 72.060 -2.814 -7.282 64 1HB ALA 9 HB1 ALA 9 70.262 -1.569 -8.263 65 2HB ALA 9 HB2 ALA 9 69.477 -3.037 -8.845 66 3HB ALA 9 HB3 ALA 9 70.989 -2.497 -9.574 67 H ASP 10 HN ASP 10 71.838 -4.388 -5.369 68 HA ASP 10 HA ASP 10 69.022 -4.306 -4.378 69 1HB ASP 10 HB2 ASP 10 70.099 -6.321 -2.923 70 2HB ASP 10 HB1 ASP 10 69.246 -6.584 -4.442 71 H CYS 11 HN CYS 11 72.087 -3.079 -3.984 72 HA CYS 11 HA CYS 11 71.749 -2.782 -1.031 73 1HB CYS 11 HB2 CYS 11 74.208 -2.336 -2.752 74 2HB CYS 11 HB1 CYS 11 74.140 -2.179 -0.997 75 H CYS 12 HN CYS 12 71.875 -0.660 -0.129 76 HA CYS 12 HA CYS 12 70.916 1.444 -1.925 77 1HB CYS 12 HB2 CYS 12 71.378 1.214 1.040 78 2HB CYS 12 HB1 CYS 12 71.110 2.795 0.308 79 H ILE 13 HN ILE 13 72.532 2.230 -3.251 80 HA ILE 13 HA ILE 13 75.183 2.836 -2.063 81 HB ILE 13 HB ILE 13 74.940 1.661 -4.306 82 1HG1 ILE 13 HG12 ILE 13 76.403 4.321 -4.235 83 2HG1 ILE 13 HG11 ILE 13 77.028 2.784 -3.635 84 1HG2 ILE 13 HG21 ILE 13 74.639 4.043 -5.868 85 2HG2 ILE 13 HG22 ILE 13 73.261 3.920 -4.774 86 3HG2 ILE 13 HG23 ILE 13 73.631 2.595 -5.879 87 1HD1 ILE 13 HD11 ILE 13 77.926 2.608 -5.721 88 2HD1 ILE 13 HD12 ILE 13 76.790 3.766 -6.413 89 3HD1 ILE 13 HD13 ILE 13 76.303 2.088 -6.172 90 H SER 14 HN SER 14 72.229 4.369 -2.793 91 HA SER 14 HA SER 14 73.298 6.959 -1.974 92 1HB SER 14 HB2 SER 14 72.659 6.368 -4.833 93 2HB SER 14 HB1 SER 14 72.181 7.938 -4.194 94 HG SER 14 HG SER 14 74.608 7.074 -4.918 95 H TYR 15 HN TYR 15 71.659 8.179 -1.058 96 HA TYR 15 HA TYR 15 68.908 7.033 -1.275 97 1HB TYR 15 HB2 TYR 15 69.889 8.900 0.890 98 2HB TYR 15 HB1 TYR 15 68.481 7.839 0.922 99 HD1 TYR 15 HD1 TYR 15 68.655 5.603 1.680 100 HD2 TYR 15 HD2 TYR 15 72.210 7.838 0.775 101 HE1 TYR 15 HE1 TYR 15 70.042 3.788 2.645 102 HE2 TYR 15 HE2 TYR 15 73.597 6.023 1.740 103 HH TYR 15 HH TYR 15 72.150 3.316 3.446 104 H THR 16 HN THR 16 67.187 8.410 -1.784 105 HA THR 16 HA THR 16 67.614 10.607 -3.471 106 HB THR 16 HB THR 16 65.442 9.507 -3.326 107 HG1 THR 16 HG1 THR 16 65.079 12.127 -2.347 108 1HG2 THR 16 HG21 THR 16 64.799 10.851 -0.742 109 2HG2 THR 16 HG22 THR 16 65.797 9.398 -0.678 110 3HG2 THR 16 HG23 THR 16 64.190 9.333 -1.402 111 HA PRO 17 HA PRO 17 68.983 13.441 -0.249 112 1HB PRO 17 HB2 PRO 17 70.049 15.261 -2.014 113 2HB PRO 17 HB1 PRO 17 70.903 13.806 -1.471 114 1HG PRO 17 HG2 PRO 17 69.599 14.346 -4.099 115 2HG PRO 17 HG1 PRO 17 70.952 13.268 -3.718 116 1HD PRO 17 HD2 PRO 17 68.278 12.465 -4.153 117 2HD PRO 17 HD1 PRO 17 69.559 11.470 -3.428 118 H ARG 18 HN ARG 18 66.395 13.625 -0.314 119 HA ARG 18 HA ARG 18 65.795 16.457 -0.519 120 1HB ARG 18 HB2 ARG 18 64.824 14.548 -2.625 121 2HB ARG 18 HB1 ARG 18 63.781 15.878 -2.122 122 1HG ARG 18 HG2 ARG 18 66.025 17.282 -2.436 123 2HG ARG 18 HG1 ARG 18 66.409 15.963 -3.543 124 1HD ARG 18 HD2 ARG 18 64.219 16.336 -4.683 125 2HD ARG 18 HD1 ARG 18 63.942 17.724 -3.631 126 HE ARG 18 HE ARG 18 65.420 17.870 -6.000 127 1HH1 ARG 18 HH11 ARG 18 64.892 19.875 -3.573 128 2HH1 ARG 18 HH12 ARG 18 66.497 20.503 -3.402 129 1HH2 ARG 18 HH21 ARG 18 67.948 18.060 -5.390 130 2HH2 ARG 18 HH22 ARG 18 68.228 19.475 -4.432 131 H SER 19 HN SER 19 63.053 16.412 -0.471 132 HA SER 19 HA SER 19 62.549 14.937 2.047 133 1HB SER 19 HB2 SER 19 60.550 16.342 2.221 134 2HB SER 19 HB1 SER 19 61.957 17.347 1.887 135 HG SER 19 HG SER 19 59.712 17.054 0.461 136 H ILE 20 HN ILE 20 61.297 13.124 2.112 137 HA ILE 20 HA ILE 20 59.914 12.330 -0.410 138 HB ILE 20 HB ILE 20 60.646 10.559 1.933 139 1HG1 ILE 20 HG12 ILE 20 62.181 10.524 -0.630 140 2HG1 ILE 20 HG11 ILE 20 62.523 11.831 0.504 141 1HG2 ILE 20 HG21 ILE 20 59.129 10.209 -0.483 142 2HG2 ILE 20 HG22 ILE 20 59.471 9.026 0.780 143 3HG2 ILE 20 HG23 ILE 20 60.587 9.220 -0.572 144 1HD1 ILE 20 HD11 ILE 20 63.993 10.212 1.282 145 2HD1 ILE 20 HD12 ILE 20 62.926 8.881 0.834 146 3HD1 ILE 20 HD13 ILE 20 62.574 9.851 2.265 147 HA PRO 21 HA PRO 21 56.318 13.215 2.172 148 1HB PRO 21 HB2 PRO 21 54.593 13.430 0.042 149 2HB PRO 21 HB1 PRO 21 55.629 14.754 0.601 150 1HG PRO 21 HG2 PRO 21 55.933 13.021 -1.808 151 2HG PRO 21 HG1 PRO 21 56.501 14.678 -1.539 152 1HD PRO 21 HD2 PRO 21 58.093 12.345 -1.402 153 2HD PRO 21 HD1 PRO 21 58.548 13.954 -0.800 154 H CYS 22 HN CYS 22 55.253 11.523 3.128 155 HA CYS 22 HA CYS 22 55.191 8.880 2.108 156 1HB CYS 22 HB2 CYS 22 54.095 10.308 4.388 157 2HB CYS 22 HB1 CYS 22 52.947 9.116 3.777 158 H SER 23 HN SER 23 52.952 11.568 1.682 159 HA SER 23 HA SER 23 50.734 10.131 0.637 160 1HB SER 23 HB2 SER 23 51.601 12.831 -0.398 161 2HB SER 23 HB1 SER 23 49.965 12.207 -0.210 162 HG SER 23 HG SER 23 49.995 12.813 1.802 163 H LEU 24 HN LEU 24 53.875 10.581 -0.646 164 HA LEU 24 HA LEU 24 52.916 9.856 -3.382 165 1HB LEU 24 HB2 LEU 24 54.532 11.905 -2.780 166 2HB LEU 24 HB1 LEU 24 55.754 10.637 -2.881 167 HG LEU 24 HG LEU 24 53.824 10.494 -5.071 168 1HD1 LEU 24 HD11 LEU 24 55.183 12.563 -6.113 169 2HD1 LEU 24 HD12 LEU 24 55.164 13.078 -4.426 170 3HD1 LEU 24 HD13 LEU 24 53.647 12.780 -5.274 171 1HD2 LEU 24 HD21 LEU 24 56.800 10.507 -4.657 172 2HD2 LEU 24 HD22 LEU 24 56.155 10.723 -6.284 173 3HD2 LEU 24 HD23 LEU 24 55.783 9.259 -5.375 174 H LEU 25 HN LEU 25 53.496 8.146 -0.859 175 HA LEU 25 HA LEU 25 55.318 6.223 -2.252 176 1HB LEU 25 HB2 LEU 25 55.048 6.621 0.744 177 2HB LEU 25 HB1 LEU 25 56.148 5.507 -0.068 178 HG LEU 25 HG LEU 25 56.218 8.455 -0.688 179 1HD1 LEU 25 HD11 LEU 25 57.347 8.975 1.216 180 2HD1 LEU 25 HD12 LEU 25 58.218 7.441 1.226 181 3HD1 LEU 25 HD13 LEU 25 56.580 7.529 1.874 182 1HD2 LEU 25 HD21 LEU 25 58.724 6.996 -0.605 183 2HD2 LEU 25 HD22 LEU 25 57.980 7.845 -1.959 184 3HD2 LEU 25 HD23 LEU 25 57.558 6.164 -1.633 185 H GLU 26 HN GLU 26 54.512 4.158 -2.456 186 HA GLU 26 HA GLU 26 51.793 3.680 -1.345 187 1HB GLU 26 HB2 GLU 26 51.971 3.342 -3.742 188 2HB GLU 26 HB1 GLU 26 53.365 2.281 -3.529 189 1HG GLU 26 HG2 GLU 26 51.906 0.739 -2.186 190 2HG GLU 26 HG1 GLU 26 50.526 1.754 -2.606 191 H SER 27 HN SER 27 55.097 2.633 -1.091 192 HA SER 27 HA SER 27 54.662 1.199 1.329 193 1HB SER 27 HB2 SER 27 53.990 -0.285 -1.020 194 2HB SER 27 HB1 SER 27 55.464 -0.974 -0.346 195 HG SER 27 HG SER 27 54.220 -1.833 1.101 196 H TYR 28 HN TYR 28 56.718 -0.438 1.589 197 HA TYR 28 HA TYR 28 59.085 0.284 0.097 198 1HB TYR 28 HB2 TYR 28 60.239 1.581 1.804 199 2HB TYR 28 HB1 TYR 28 58.716 2.381 1.418 200 HD1 TYR 28 HD1 TYR 28 56.677 1.866 2.906 201 HD2 TYR 28 HD2 TYR 28 60.717 0.918 4.015 202 HE1 TYR 28 HE1 TYR 28 55.985 1.699 5.282 203 HE2 TYR 28 HE2 TYR 28 60.025 0.750 6.391 204 HH TYR 28 HH TYR 28 56.726 0.675 7.343 205 H PHE 29 HN PHE 29 61.103 -0.555 1.369 206 HA PHE 29 HA PHE 29 60.506 -2.611 3.380 207 1HB PHE 29 HB2 PHE 29 61.810 -4.288 1.791 208 2HB PHE 29 HB1 PHE 29 60.064 -4.086 1.642 209 HD1 PHE 29 HD1 PHE 29 59.154 -2.468 -0.086 210 HD2 PHE 29 HD2 PHE 29 63.274 -3.679 0.018 211 HE1 PHE 29 HE1 PHE 29 59.441 -1.694 -2.424 212 HE2 PHE 29 HE2 PHE 29 63.560 -2.906 -2.321 213 HZ PHE 29 HZ PHE 29 61.644 -1.913 -3.542 214 H GLU 30 HN GLU 30 62.657 -3.809 3.914 215 HA GLU 30 HA GLU 30 64.836 -1.771 3.840 216 1HB GLU 30 HB2 GLU 30 63.988 -3.852 5.814 217 2HB GLU 30 HB1 GLU 30 65.703 -3.448 5.724 218 1HG GLU 30 HG2 GLU 30 65.389 -1.416 6.675 219 2HG GLU 30 HG1 GLU 30 63.954 -1.090 5.703 220 H THR 31 HN THR 31 66.870 -2.346 3.056 221 HA THR 31 HA THR 31 67.022 -4.522 1.189 222 HB THR 31 HB THR 31 69.364 -3.904 0.946 223 HG1 THR 31 HG1 THR 31 69.828 -3.700 3.165 224 1HG2 THR 31 HG21 THR 31 67.259 -2.236 0.480 225 2HG2 THR 31 HG22 THR 31 68.920 -1.879 0.006 226 3HG2 THR 31 HG23 THR 31 68.269 -1.217 1.505 227 H ASN 32 HN ASN 32 68.527 -6.377 1.346 228 HA ASN 32 HA ASN 32 68.250 -7.736 3.900 229 1HB ASN 32 HB2 ASN 32 68.225 -8.851 1.617 230 2HB ASN 32 HB1 ASN 32 69.968 -8.583 1.554 231 1HD2 ASN 32 HD21 ASN 32 67.531 -9.943 3.855 232 2HD2 ASN 32 HD22 ASN 32 68.522 -11.221 4.371 233 H SER 33 HN SER 33 69.813 -8.046 5.471 234 HA SER 33 HA SER 33 71.893 -6.201 5.831 235 1HB SER 33 HB2 SER 33 70.974 -7.790 7.568 236 2HB SER 33 HB1 SER 33 71.939 -9.063 6.827 237 HG SER 33 HG SER 33 73.775 -7.662 7.183 238 H GLU 34 HN GLU 34 71.887 -9.217 4.020 239 HA GLU 34 HA GLU 34 74.599 -9.763 3.724 240 1HB GLU 34 HB2 GLU 34 72.264 -9.963 1.850 241 2HB GLU 34 HB1 GLU 34 73.885 -10.289 1.235 242 1HG GLU 34 HG2 GLU 34 74.226 -11.968 3.008 243 2HG GLU 34 HG1 GLU 34 72.608 -11.641 3.632 244 H CYS 35 HN CYS 35 72.829 -7.003 2.545 245 HA CYS 35 HA CYS 35 74.739 -6.178 0.544 246 1HB CYS 35 HB2 CYS 35 72.395 -4.981 1.921 247 2HB CYS 35 HB1 CYS 35 73.580 -3.843 1.281 248 H SER 36 HN SER 36 76.302 -4.438 0.747 249 HA SER 36 HA SER 36 77.913 -4.581 3.101 250 1HB SER 36 HB2 SER 36 78.085 -2.135 1.414 251 2HB SER 36 HB1 SER 36 79.367 -3.204 1.977 252 HG SER 36 HG SER 36 79.130 -3.573 -0.189 253 H LYS 37 HN LYS 37 76.040 -1.763 1.903 254 HA LYS 37 HA LYS 37 75.885 -0.825 4.728 255 1HB LYS 37 HB2 LYS 37 75.180 0.775 2.261 256 2HB LYS 37 HB1 LYS 37 75.564 1.378 3.873 257 1HG LYS 37 HG2 LYS 37 77.500 -0.086 2.054 258 2HG LYS 37 HG1 LYS 37 77.474 1.659 2.315 259 1HD LYS 37 HD2 LYS 37 77.852 -0.391 4.517 260 2HD LYS 37 HD1 LYS 37 79.168 0.486 3.736 261 1HE LYS 37 HE2 LYS 37 76.878 1.699 5.310 262 2HE LYS 37 HE1 LYS 37 78.572 1.637 5.798 263 1HZ LYS 37 HZ1 LYS 37 77.271 3.327 3.804 264 2HZ LYS 37 HZ2 LYS 37 78.856 2.813 3.473 265 3HZ LYS 37 HZ3 LYS 37 78.524 3.696 4.886 266 HA PRO 38 HA PRO 38 71.589 -1.866 4.640 267 1HB PRO 38 HB2 PRO 38 70.896 -0.569 6.962 268 2HB PRO 38 HB1 PRO 38 71.752 -2.120 6.925 269 1HG PRO 38 HG2 PRO 38 72.812 0.592 7.564 270 2HG PRO 38 HG1 PRO 38 73.404 -0.995 8.083 271 1HD PRO 38 HD2 PRO 38 74.520 0.609 6.029 272 2HD PRO 38 HD1 PRO 38 74.902 -1.095 6.352 273 H GLY 39 HN GLY 39 69.431 -0.676 4.715 274 1HA GLY 39 HA2 GLY 39 69.086 2.083 4.708 275 2HA GLY 39 HA1 GLY 39 69.512 1.649 3.057 276 H VAL 40 HN VAL 40 67.043 2.708 3.376 277 HA VAL 40 HA VAL 40 65.229 0.329 3.266 278 HB VAL 40 HB VAL 40 64.334 3.155 3.852 279 1HG1 VAL 40 HG11 VAL 40 62.583 1.612 5.106 280 2HG1 VAL 40 HG12 VAL 40 63.166 0.396 3.968 281 3HG1 VAL 40 HG13 VAL 40 62.445 1.890 3.370 282 1HG2 VAL 40 HG21 VAL 40 65.879 2.715 5.617 283 2HG2 VAL 40 HG22 VAL 40 65.374 1.029 5.738 284 3HG2 VAL 40 HG23 VAL 40 64.294 2.314 6.278 285 H ILE 41 HN ILE 41 63.771 0.240 1.512 286 HA ILE 41 HA ILE 41 64.322 2.224 -0.658 287 HB ILE 41 HB ILE 41 63.248 -0.585 -1.008 288 1HG1 ILE 41 HG12 ILE 41 66.114 0.382 -1.272 289 2HG1 ILE 41 HG11 ILE 41 65.506 -0.603 0.060 290 1HG2 ILE 41 HG21 ILE 41 64.097 1.660 -2.778 291 2HG2 ILE 41 HG22 ILE 41 62.820 0.466 -3.011 292 3HG2 ILE 41 HG23 ILE 41 64.503 0.026 -3.300 293 1HD1 ILE 41 HD11 ILE 41 64.994 -1.567 -2.720 294 2HD1 ILE 41 HD12 ILE 41 65.294 -2.492 -1.248 295 3HD1 ILE 41 HD13 ILE 41 66.635 -1.716 -2.090 296 H PHE 42 HN PHE 42 62.615 3.466 -1.279 297 HA PHE 42 HA PHE 42 59.917 2.701 -0.260 298 1HB PHE 42 HB2 PHE 42 61.255 5.310 -0.882 299 2HB PHE 42 HB1 PHE 42 59.500 5.207 -1.020 300 HD1 PHE 42 HD1 PHE 42 62.372 4.811 1.292 301 HD2 PHE 42 HD2 PHE 42 58.097 4.991 0.920 302 HE1 PHE 42 HE1 PHE 42 62.165 4.994 3.757 303 HE2 PHE 42 HE2 PHE 42 57.890 5.173 3.384 304 HZ PHE 42 HZ PHE 42 59.924 5.175 4.803 305 H LEU 43 HN LEU 43 58.293 2.251 -1.695 306 HA LEU 43 HA LEU 43 58.963 2.425 -4.594 307 1HB LEU 43 HB2 LEU 43 58.255 0.226 -3.371 308 2HB LEU 43 HB1 LEU 43 56.632 0.910 -3.438 309 HG LEU 43 HG LEU 43 56.945 -0.480 -5.399 310 1HD1 LEU 43 HD11 LEU 43 57.378 2.319 -6.425 311 2HD1 LEU 43 HD12 LEU 43 55.899 1.899 -5.561 312 3HD1 LEU 43 HD13 LEU 43 56.313 1.064 -7.058 313 1HD2 LEU 43 HD21 LEU 43 58.970 -0.720 -6.355 314 2HD2 LEU 43 HD22 LEU 43 59.618 0.439 -5.194 315 3HD2 LEU 43 HD23 LEU 43 59.017 0.997 -6.755 316 H THR 44 HN THR 44 58.091 4.198 -5.571 317 HA THR 44 HA THR 44 55.746 5.530 -4.389 318 HB THR 44 HB THR 44 56.194 7.311 -5.906 319 HG1 THR 44 HG1 THR 44 57.892 6.812 -7.573 320 1HG2 THR 44 HG21 THR 44 58.759 7.503 -5.772 321 2HG2 THR 44 HG22 THR 44 58.708 5.938 -4.960 322 3HG2 THR 44 HG23 THR 44 57.886 7.327 -4.250 323 H LYS 45 HN LYS 45 53.867 6.086 -5.813 324 HA LYS 45 HA LYS 45 52.899 3.708 -7.173 325 1HB LYS 45 HB2 LYS 45 51.483 5.387 -5.868 326 2HB LYS 45 HB1 LYS 45 51.650 6.462 -7.257 327 1HG LYS 45 HG2 LYS 45 50.889 4.269 -8.576 328 2HG LYS 45 HG1 LYS 45 50.149 3.891 -7.020 329 1HD LYS 45 HD2 LYS 45 48.426 5.179 -7.739 330 2HD LYS 45 HD1 LYS 45 49.477 6.541 -7.347 331 1HE LYS 45 HE2 LYS 45 50.406 6.398 -9.684 332 2HE LYS 45 HE1 LYS 45 49.170 5.193 -10.043 333 1HZ LYS 45 HZ1 LYS 45 47.468 6.740 -9.697 334 2HZ LYS 45 HZ2 LYS 45 48.630 7.580 -10.609 335 3HZ LYS 45 HZ3 LYS 45 48.498 7.853 -8.937 336 H LYS 46 HN LYS 46 55.011 6.064 -8.153 337 HA LYS 46 HA LYS 46 54.027 6.127 -10.957 338 1HB LYS 46 HB2 LYS 46 56.393 7.563 -9.711 339 2HB LYS 46 HB1 LYS 46 55.718 7.851 -11.315 340 1HG LYS 46 HG2 LYS 46 53.672 8.701 -10.400 341 2HG LYS 46 HG1 LYS 46 54.100 8.158 -8.777 342 1HD LYS 46 HD2 LYS 46 54.476 10.586 -9.021 343 2HD LYS 46 HD1 LYS 46 55.996 9.735 -8.744 344 1HE LYS 46 HE2 LYS 46 56.816 10.357 -10.753 345 2HE LYS 46 HE1 LYS 46 55.333 9.881 -11.581 346 1HZ LYS 46 HZ1 LYS 46 54.336 11.980 -10.705 347 2HZ LYS 46 HZ2 LYS 46 55.571 12.204 -11.850 348 3HZ LYS 46 HZ3 LYS 46 55.886 12.444 -10.198 349 H GLY 47 HN GLY 47 55.244 3.745 -9.560 350 1HA GLY 47 HA2 GLY 47 56.738 2.029 -10.089 351 2HA GLY 47 HA1 GLY 47 56.771 2.729 -11.704 352 H ARG 48 HN ARG 48 57.711 4.593 -8.898 353 HA ARG 48 HA ARG 48 60.563 4.371 -9.777 354 1HB ARG 48 HB2 ARG 48 58.981 6.636 -9.965 355 2HB ARG 48 HB1 ARG 48 59.837 6.880 -8.441 356 1HG ARG 48 HG2 ARG 48 61.819 7.211 -9.484 357 2HG ARG 48 HG1 ARG 48 61.565 5.848 -10.574 358 1HD ARG 48 HD2 ARG 48 59.795 8.146 -11.090 359 2HD ARG 48 HD1 ARG 48 61.507 8.481 -11.345 360 HE ARG 48 HE ARG 48 59.941 7.062 -13.173 361 1HH1 ARG 48 HH11 ARG 48 62.812 7.658 -13.682 362 2HH1 ARG 48 HH12 ARG 48 63.515 6.076 -13.758 363 1HH2 ARG 48 HH21 ARG 48 60.819 4.517 -12.233 364 2HH2 ARG 48 HH22 ARG 48 62.386 4.298 -12.936 365 H ARG 49 HN ARG 49 61.868 3.645 -8.168 366 HA ARG 49 HA ARG 49 60.969 4.074 -5.346 367 1HB ARG 49 HB2 ARG 49 61.955 1.892 -4.787 368 2HB ARG 49 HB1 ARG 49 60.727 1.705 -6.038 369 1HG ARG 49 HG2 ARG 49 63.222 2.255 -7.322 370 2HG ARG 49 HG1 ARG 49 63.479 0.957 -6.155 371 1HD ARG 49 HD2 ARG 49 61.644 -0.329 -7.112 372 2HD ARG 49 HD1 ARG 49 61.249 0.995 -8.209 373 HE ARG 49 HE ARG 49 63.252 -0.984 -8.691 374 1HH1 ARG 49 HH21 ARG 49 61.938 1.176 -10.528 375 2HH1 ARG 49 HH22 ARG 49 63.361 1.988 -11.090 376 1HH2 ARG 49 HH11 ARG 49 65.430 0.592 -8.684 377 2HH2 ARG 49 HH12 ARG 49 65.337 1.657 -10.047 378 H PHE 50 HN PHE 50 62.765 4.202 -3.782 379 HA PHE 50 HA PHE 50 65.475 4.572 -4.869 380 1HB PHE 50 HB2 PHE 50 65.523 6.898 -3.675 381 2HB PHE 50 HB1 PHE 50 64.829 6.785 -5.292 382 HD1 PHE 50 HD1 PHE 50 64.041 7.004 -1.678 383 HD2 PHE 50 HD2 PHE 50 62.474 7.093 -5.676 384 HE1 PHE 50 HE1 PHE 50 61.875 7.844 -0.810 385 HE2 PHE 50 HE2 PHE 50 60.308 7.933 -4.808 386 HZ PHE 50 HZ PHE 50 60.009 8.308 -2.375 387 H CYS 51 HN CYS 51 66.998 5.201 -2.989 388 HA CYS 51 HA CYS 51 66.257 3.532 -0.669 389 1HB CYS 51 HB2 CYS 51 68.802 4.699 -1.751 390 2HB CYS 51 HB1 CYS 51 68.730 4.214 -0.059 391 H ALA 52 HN ALA 52 66.116 4.343 1.451 392 HA ALA 52 HA ALA 52 66.280 7.316 1.725 393 1HB ALA 52 HB1 ALA 52 64.338 6.118 3.521 394 2HB ALA 52 HB2 ALA 52 63.939 5.768 1.839 395 3HB ALA 52 HB3 ALA 52 64.123 7.439 2.372 396 H ASN 53 HN ASN 53 66.894 8.045 3.854 397 HA ASN 53 HA ASN 53 68.751 6.280 5.192 398 1HB ASN 53 HB2 ASN 53 69.105 8.717 5.113 399 2HB ASN 53 HB1 ASN 53 67.636 8.965 6.058 400 1HD2 ASN 53 HD21 ASN 53 70.994 7.874 6.228 401 2HD2 ASN 53 HD22 ASN 53 71.063 7.772 7.921 402 HA PRO 54 HA PRO 54 65.634 4.458 7.806 403 1HB PRO 54 HB2 PRO 54 67.371 2.838 9.194 404 2HB PRO 54 HB1 PRO 54 66.758 2.460 7.575 405 1HG PRO 54 HG2 PRO 54 69.460 3.438 8.379 406 2HG PRO 54 HG1 PRO 54 68.991 2.462 6.977 407 1HD PRO 54 HD2 PRO 54 69.552 5.229 6.938 408 2HD PRO 54 HD1 PRO 54 68.731 4.318 5.652 409 H SER 55 HN SER 55 68.181 6.516 8.678 410 HA SER 55 HA SER 55 67.411 6.495 11.557 411 1HB SER 55 HB2 SER 55 69.671 8.065 10.306 412 2HB SER 55 HB1 SER 55 69.456 7.636 12.001 413 HG SER 55 HG SER 55 70.689 6.272 10.072 414 H ASP 56 HN ASP 56 66.468 7.973 8.766 415 HA ASP 56 HA ASP 56 66.362 10.741 9.642 416 1HB ASP 56 HB2 ASP 56 66.258 9.877 7.226 417 2HB ASP 56 HB1 ASP 56 64.576 9.464 7.562 418 H LYS 57 HN LYS 57 64.827 11.683 10.920 419 HA LYS 57 HA LYS 57 62.963 10.122 12.400 420 1HB LYS 57 HB2 LYS 57 62.120 12.215 13.249 421 2HB LYS 57 HB1 LYS 57 63.860 12.404 13.034 422 1HG LYS 57 HG2 LYS 57 63.232 14.302 11.922 423 2HG LYS 57 HG1 LYS 57 63.006 13.176 10.582 424 1HD LYS 57 HD2 LYS 57 60.905 14.080 10.548 425 2HD LYS 57 HD1 LYS 57 60.616 12.899 11.825 426 1HE LYS 57 HE2 LYS 57 61.734 15.029 13.197 427 2HE LYS 57 HE1 LYS 57 60.728 15.823 11.986 428 1HZ LYS 57 HZ1 LYS 57 58.827 14.839 12.785 429 2HZ LYS 57 HZ2 LYS 57 59.695 15.096 14.223 430 3HZ LYS 57 HZ3 LYS 57 59.655 13.552 13.516 431 H GLN 58 HN GLN 58 62.696 11.738 9.303 432 HA GLN 58 HA GLN 58 59.791 11.608 9.196 433 1HB GLN 58 HB2 GLN 58 61.915 12.047 7.081 434 2HB GLN 58 HB1 GLN 58 60.186 12.061 6.729 435 1HG GLN 58 HG2 GLN 58 60.128 13.763 8.766 436 2HG GLN 58 HG1 GLN 58 61.814 14.012 8.311 437 1HE2 GLN 58 HE21 GLN 58 59.513 15.911 7.970 438 2HE2 GLN 58 HE22 GLN 58 59.442 16.245 6.307 439 H VAL 59 HN VAL 59 62.416 9.434 8.483 440 HA VAL 59 HA VAL 59 60.793 7.654 6.818 441 HB VAL 59 HB VAL 59 63.525 7.381 8.095 442 1HG1 VAL 59 HG11 VAL 59 61.794 5.392 6.670 443 2HG1 VAL 59 HG12 VAL 59 62.909 5.144 8.015 444 3HG1 VAL 59 HG13 VAL 59 63.534 5.359 6.379 445 1HG2 VAL 59 HG21 VAL 59 62.550 7.709 5.239 446 2HG2 VAL 59 HG22 VAL 59 64.230 7.421 5.692 447 3HG2 VAL 59 HG23 VAL 59 63.423 8.908 6.193 448 H GLN 60 HN GLN 60 61.948 7.729 10.179 449 HA GLN 60 HA GLN 60 60.724 5.178 10.852 450 1HB GLN 60 HB2 GLN 60 61.508 7.380 12.777 451 2HB GLN 60 HB1 GLN 60 61.404 5.649 13.101 452 1HG GLN 60 HG2 GLN 60 63.392 5.183 12.017 453 2HG GLN 60 HG1 GLN 60 63.237 6.557 10.921 454 1HE2 GLN 60 HE21 GLN 60 63.204 6.350 14.528 455 2HE2 GLN 60 HE22 GLN 60 64.443 7.489 14.747 456 H VAL 61 HN VAL 61 59.734 8.547 10.895 457 HA VAL 61 HA VAL 61 57.369 8.100 12.528 458 HB VAL 61 HB VAL 61 58.188 10.358 10.681 459 1HG1 VAL 61 HG11 VAL 61 56.285 11.461 12.221 460 2HG1 VAL 61 HG12 VAL 61 55.660 9.813 12.165 461 3HG1 VAL 61 HG13 VAL 61 55.913 10.711 10.669 462 1HG2 VAL 61 HG21 VAL 61 59.226 11.223 12.495 463 2HG2 VAL 61 HG22 VAL 61 59.036 9.636 13.240 464 3HG2 VAL 61 HG23 VAL 61 57.836 10.896 13.530 465 H CYS 62 HN CYS 62 58.102 8.095 9.073 466 HA CYS 62 HA CYS 62 55.333 7.964 8.225 467 1HB CYS 62 HB2 CYS 62 57.964 7.952 6.978 468 2HB CYS 62 HB1 CYS 62 56.886 6.778 6.223 469 H MET 63 HN MET 63 57.852 5.559 8.917 470 HA MET 63 HA MET 63 56.601 3.245 7.937 471 1HB MET 63 HB2 MET 63 57.938 2.002 9.491 472 2HB MET 63 HB1 MET 63 58.887 3.421 9.048 473 1HG MET 63 HG2 MET 63 59.023 3.952 11.229 474 2HG MET 63 HG1 MET 63 57.278 4.206 11.236 475 1HE MET 63 HE1 MET 63 57.740 2.275 14.462 476 2HE MET 63 HE2 MET 63 56.482 3.209 13.656 477 3HE MET 63 HE3 MET 63 58.138 3.807 13.673 478 H ARG 64 HN ARG 64 55.691 5.265 10.608 479 HA ARG 64 HA ARG 64 54.079 3.320 12.011 480 1HB ARG 64 HB2 ARG 64 54.765 6.093 12.291 481 2HB ARG 64 HB1 ARG 64 53.012 5.932 12.393 482 1HG ARG 64 HG2 ARG 64 54.066 3.775 13.875 483 2HG ARG 64 HG1 ARG 64 55.014 5.189 14.340 484 1HD ARG 64 HD2 ARG 64 52.953 6.437 14.817 485 2HD ARG 64 HD1 ARG 64 51.984 5.052 14.313 486 HE ARG 64 HE ARG 64 52.786 3.849 16.292 487 1HH1 ARG 64 HH21 ARG 64 54.528 6.739 15.960 488 2HH1 ARG 64 HH22 ARG 64 54.539 7.114 17.651 489 1HH2 ARG 64 HH11 ARG 64 52.424 4.505 18.515 490 2HH2 ARG 64 HH12 ARG 64 53.348 5.849 19.098 491 H MET 65 HN MET 65 53.375 5.769 9.522 492 HA MET 65 HA MET 65 50.538 5.122 9.451 493 1HB MET 65 HB2 MET 65 51.595 7.338 8.751 494 2HB MET 65 HB1 MET 65 52.133 6.513 7.287 495 1HG MET 65 HG2 MET 65 50.027 7.584 6.785 496 2HG MET 65 HG1 MET 65 49.732 5.847 6.880 497 1HE MET 65 HE1 MET 65 47.757 5.003 7.935 498 2HE MET 65 HE2 MET 65 47.207 6.422 7.048 499 3HE MET 65 HE3 MET 65 46.571 6.098 8.659 500 H LEU 66 HN LEU 66 53.269 4.499 7.216 501 HA LEU 66 HA LEU 66 51.713 2.787 5.490 502 1HB LEU 66 HB2 LEU 66 54.652 3.323 5.858 503 2HB LEU 66 HB1 LEU 66 54.119 2.000 4.821 504 HG LEU 66 HG LEU 66 52.689 4.548 4.396 505 1HD1 LEU 66 HD11 LEU 66 54.662 5.370 2.973 506 2HD1 LEU 66 HD12 LEU 66 55.658 4.256 3.909 507 3HD1 LEU 66 HD13 LEU 66 54.813 5.574 4.718 508 1HD2 LEU 66 HD21 LEU 66 54.145 2.676 2.503 509 2HD2 LEU 66 HD22 LEU 66 52.927 3.876 2.072 510 3HD2 LEU 66 HD23 LEU 66 52.471 2.457 3.014 511 H LYS 67 HN LYS 67 50.757 1.530 7.382 512 HA LYS 67 HA LYS 67 52.315 -0.242 8.974 513 1HB LYS 67 HB2 LYS 67 50.230 -1.467 9.339 514 2HB LYS 67 HB1 LYS 67 49.905 0.267 9.371 515 1HG LYS 67 HG2 LYS 67 49.699 -0.565 6.661 516 2HG LYS 67 HG1 LYS 67 48.788 -1.725 7.629 517 1HD LYS 67 HD2 LYS 67 47.920 0.498 8.818 518 2HD LYS 67 HD1 LYS 67 48.331 1.205 7.255 519 1HE LYS 67 HE2 LYS 67 47.014 -0.829 6.272 520 2HE LYS 67 HE1 LYS 67 46.309 -0.932 7.886 521 1HZ LYS 67 HZ1 LYS 67 44.871 0.515 6.916 522 2HZ LYS 67 HZ2 LYS 67 46.036 1.165 5.863 523 3HZ LYS 67 HZ3 LYS 67 46.009 1.631 7.497 524 H LEU 68 HN LEU 68 52.548 -2.598 8.706 525 HA LEU 68 HA LEU 68 53.522 -3.302 6.091 526 1HB LEU 68 HB2 LEU 68 53.040 -4.818 8.648 527 2HB LEU 68 HB1 LEU 68 53.478 -5.681 7.173 528 HG LEU 68 HG LEU 68 55.057 -3.452 8.488 529 1HD1 LEU 68 HD11 LEU 68 55.144 -6.398 8.547 530 2HD1 LEU 68 HD12 LEU 68 55.823 -5.230 9.680 531 3HD1 LEU 68 HD13 LEU 68 56.697 -5.636 8.203 532 1HD2 LEU 68 HD21 LEU 68 56.622 -4.634 6.521 533 2HD2 LEU 68 HD22 LEU 68 55.816 -3.071 6.387 534 3HD2 LEU 68 HD23 LEU 68 55.034 -4.522 5.760 535 H ASP 69 HN ASP 69 52.553 -4.547 4.479 536 HA ASP 69 HA ASP 69 49.674 -4.548 4.357 537 1HB ASP 69 HB2 ASP 69 51.914 -5.418 2.632 538 2HB ASP 69 HB1 ASP 69 50.412 -6.317 2.412 539 H THR 70 HN THR 70 49.622 -5.743 6.581 540 HA THR 70 HA THR 70 49.305 -8.651 5.995 541 HB THR 70 HB THR 70 50.047 -8.932 8.488 542 HG1 THR 70 HG1 THR 70 50.130 -6.575 8.705 543 1HG2 THR 70 HG21 THR 70 51.259 -9.661 6.364 544 2HG2 THR 70 HG22 THR 70 52.280 -9.374 7.773 545 3HG2 THR 70 HG23 THR 70 52.184 -8.165 6.494 546 H ARG 71 HN ARG 71 47.182 -6.915 5.857 547 HA ARG 71 HA ARG 71 45.743 -7.416 8.434 548 1HB ARG 71 HB2 ARG 71 46.239 -4.957 7.384 549 2HB ARG 71 HB1 ARG 71 44.696 -5.326 6.613 550 1HG ARG 71 HG2 ARG 71 43.864 -5.989 8.946 551 2HG ARG 71 HG1 ARG 71 45.316 -5.204 9.568 552 1HD ARG 71 HD2 ARG 71 44.066 -3.481 7.632 553 2HD ARG 71 HD1 ARG 71 42.870 -3.972 8.831 554 HE ARG 71 HE ARG 71 45.433 -3.073 9.951 555 1HH1 ARG 71 HH11 ARG 71 43.215 -1.374 8.202 556 2HH1 ARG 71 HH12 ARG 71 42.663 -0.363 9.495 557 1HH2 ARG 71 HH21 ARG 71 44.303 -2.169 11.960 558 2HH2 ARG 71 HH22 ARG 71 43.279 -0.813 11.623 559 H ILE 72 HN ILE 72 43.483 -8.002 8.217 560 HA ILE 72 HA ILE 72 41.843 -9.394 7.258 561 HB ILE 72 HB ILE 72 42.392 -7.696 4.809 562 1HG1 ILE 72 HG12 ILE 72 40.268 -6.861 6.675 563 2HG1 ILE 72 HG11 ILE 72 41.899 -6.704 7.330 564 1HG2 ILE 72 HG21 ILE 72 39.635 -8.339 5.562 565 2HG2 ILE 72 HG22 ILE 72 40.607 -9.776 5.243 566 3HG2 ILE 72 HG23 ILE 72 40.446 -8.528 4.007 567 1HD1 ILE 72 HD11 ILE 72 40.724 -5.406 4.878 568 2HD1 ILE 72 HD12 ILE 72 42.469 -5.596 5.048 569 3HD1 ILE 72 HD13 ILE 72 41.566 -4.649 6.230 570 H LYS 73 HN LYS 73 44.530 -10.436 7.092 571 HA LYS 73 HA LYS 73 44.822 -11.540 4.382 572 1HB LYS 73 HB2 LYS 73 46.460 -11.341 6.794 573 2HB LYS 73 HB1 LYS 73 46.544 -12.943 6.061 574 1HG LYS 73 HG2 LYS 73 46.939 -10.348 4.543 575 2HG LYS 73 HG1 LYS 73 48.253 -11.361 5.142 576 1HD LYS 73 HD2 LYS 73 47.310 -13.270 3.816 577 2HD LYS 73 HD1 LYS 73 46.134 -12.151 3.125 578 1HE LYS 73 HE2 LYS 73 48.104 -12.438 1.645 579 2HE LYS 73 HE1 LYS 73 47.947 -10.775 2.209 580 1HZ LYS 73 HZ1 LYS 73 49.472 -12.332 4.029 581 2HZ LYS 73 HZ2 LYS 73 49.900 -10.902 3.217 582 3HZ LYS 73 HZ3 LYS 73 50.144 -12.410 2.473 583 H THR 74 HN THR 74 44.970 -13.953 4.110 584 HA THR 74 HA THR 74 42.835 -15.263 5.728 585 HB THR 74 HB THR 74 42.367 -16.616 3.863 586 HG1 THR 74 HG1 THR 74 44.987 -15.935 3.050 587 1HG2 THR 74 HG21 THR 74 41.702 -15.028 2.381 588 2HG2 THR 74 HG22 THR 74 43.343 -14.422 2.153 589 3HG2 THR 74 HG23 THR 74 42.394 -13.896 3.544 590 H ARG 75 HN ARG 75 43.239 -17.262 6.729 591 HA ARG 75 HA ARG 75 45.953 -17.782 7.530 592 1HB ARG 75 HB2 ARG 75 43.581 -19.662 7.723 593 2HB ARG 75 HB1 ARG 75 45.045 -19.697 8.707 594 1HG ARG 75 HG2 ARG 75 43.200 -17.301 8.617 595 2HG ARG 75 HG1 ARG 75 43.018 -18.600 9.796 596 1HD ARG 75 HD2 ARG 75 45.392 -18.224 10.501 597 2HD ARG 75 HD1 ARG 75 45.454 -16.837 9.414 598 HE ARG 75 HE ARG 75 43.744 -17.012 11.853 599 1HH1 ARG 75 HH21 ARG 75 46.074 -15.123 11.672 600 2HH1 ARG 75 HH22 ARG 75 45.298 -13.637 11.234 601 1HH2 ARG 75 HH11 ARG 75 42.348 -15.164 10.241 602 2HH2 ARG 75 HH12 ARG 75 43.188 -13.661 10.424 603 H LYS 76 HN LYS 76 43.726 -19.574 5.374 604 HA LYS 76 HA LYS 76 45.635 -20.218 3.413 605 1HB LYS 76 HB2 LYS 76 45.994 -21.728 5.845 606 2HB LYS 76 HB1 LYS 76 45.523 -22.814 4.537 607 1HG LYS 76 HG2 LYS 76 47.407 -22.337 3.275 608 2HG LYS 76 HG1 LYS 76 47.597 -20.730 3.976 609 1HD LYS 76 HD2 LYS 76 48.078 -22.018 6.194 610 2HD LYS 76 HD1 LYS 76 48.381 -23.395 5.134 611 1HE LYS 76 HE2 LYS 76 50.487 -22.563 4.979 612 2HE LYS 76 HE1 LYS 76 49.777 -21.389 3.871 613 1HZ LYS 76 HZ1 LYS 76 49.774 -20.935 6.789 614 2HZ LYS 76 HZ2 LYS 76 49.609 -19.800 5.535 615 3HZ LYS 76 HZ3 LYS 76 51.118 -20.518 5.842 616 H ASN 77 HN ASN 77 42.948 -19.597 3.356 617 HA ASN 77 HA ASN 77 40.964 -20.293 2.313 618 1HB ASN 77 HB2 ASN 77 42.796 -21.447 0.833 619 2HB ASN 77 HB1 ASN 77 42.265 -22.920 1.645 620 1HD2 ASN 77 HD21 ASN 77 41.302 -23.739 -0.373 621 2HD2 ASN 77 HD22 ASN 77 39.855 -23.086 -0.973 Start of MODEL 20 1 1H MET 1 HT1 MET 1 61.515 22.378 -12.032 2 2H MET 1 HT2 MET 1 61.923 23.924 -12.608 3 3H MET 1 HT3 MET 1 61.841 23.631 -10.936 4 HA MET 1 HA MET 1 64.143 23.739 -11.875 5 1HB MET 1 HB2 MET 1 63.058 22.180 -9.871 6 2HB MET 1 HB1 MET 1 63.935 20.996 -10.840 7 1HG MET 1 HG2 MET 1 65.205 23.608 -10.018 8 2HG MET 1 HG1 MET 1 65.252 22.189 -8.970 9 1HE MET 1 HE1 MET 1 66.452 24.224 -11.349 10 2HE MET 1 HE2 MET 1 66.979 23.352 -12.786 11 3HE MET 1 HE3 MET 1 68.109 23.614 -11.459 12 H ASP 2 HN ASP 2 62.587 23.036 -14.218 13 HA ASP 2 HA ASP 2 62.860 21.865 -16.234 14 1HB ASP 2 HB2 ASP 2 65.577 21.408 -14.969 15 2HB ASP 2 HB1 ASP 2 65.179 20.942 -16.624 16 H ARG 3 HN ARG 3 63.475 19.537 -17.067 17 HA ARG 3 HA ARG 3 62.075 17.654 -15.320 18 1HB ARG 3 HB2 ARG 3 62.955 17.751 -18.134 19 2HB ARG 3 HB1 ARG 3 63.045 16.149 -17.402 20 1HG ARG 3 HG2 ARG 3 60.724 16.180 -16.822 21 2HG ARG 3 HG1 ARG 3 60.587 17.900 -17.192 22 1HD ARG 3 HD2 ARG 3 61.545 16.132 -19.386 23 2HD ARG 3 HD1 ARG 3 59.845 15.992 -18.939 24 HE ARG 3 HE ARG 3 59.484 18.138 -19.857 25 1HH1 ARG 3 HH11 ARG 3 61.768 17.600 -21.709 26 2HH1 ARG 3 HH12 ARG 3 62.774 18.989 -21.466 27 1HH2 ARG 3 HH21 ARG 3 61.235 19.911 -18.498 28 2HH2 ARG 3 HH22 ARG 3 62.472 20.297 -19.647 29 H PHE 4 HN PHE 4 63.283 15.270 -15.547 30 HA PHE 4 HA PHE 4 66.030 15.712 -14.446 31 1HB PHE 4 HB2 PHE 4 65.668 13.938 -12.874 32 2HB PHE 4 HB1 PHE 4 64.253 14.985 -12.772 33 HD1 PHE 4 HD1 PHE 4 65.454 11.658 -13.480 34 HD2 PHE 4 HD2 PHE 4 62.172 14.356 -14.111 35 HE1 PHE 4 HE1 PHE 4 63.991 9.742 -14.062 36 HE2 PHE 4 HE2 PHE 4 60.709 12.440 -14.693 37 HZ PHE 4 HZ PHE 4 61.619 10.133 -14.669 38 H HIS 5 HN HIS 5 67.586 14.731 -15.637 39 HA HIS 5 HA HIS 5 66.758 12.691 -17.631 40 1HB HIS 5 HB2 HIS 5 69.033 14.599 -17.353 41 2HB HIS 5 HB1 HIS 5 69.362 13.075 -18.178 42 HD1 HIS 5 HD1 HIS 5 68.573 12.872 -20.557 43 HD2 HIS 5 HD2 HIS 5 66.800 16.094 -18.594 44 HE1 HIS 5 HE1 HIS 5 67.257 14.141 -22.309 45 H ALA 6 HN ALA 6 69.112 13.165 -14.996 46 HA ALA 6 HA ALA 6 70.334 10.604 -15.132 47 1HB ALA 6 HB1 ALA 6 71.171 12.491 -13.737 48 2HB ALA 6 HB2 ALA 6 71.012 10.998 -12.812 49 3HB ALA 6 HB3 ALA 6 69.799 12.268 -12.651 50 H THR 7 HN THR 7 70.005 9.103 -12.992 51 HA THR 7 HA THR 7 67.104 8.390 -13.030 52 HB THR 7 HB THR 7 68.018 6.133 -12.194 53 HG1 THR 7 HG1 THR 7 70.060 6.613 -11.627 54 1HG2 THR 7 HG21 THR 7 68.170 5.376 -14.383 55 2HG2 THR 7 HG22 THR 7 69.111 6.772 -14.909 56 3HG2 THR 7 HG23 THR 7 67.377 6.932 -14.630 57 H SER 8 HN SER 8 69.212 10.027 -11.136 58 HA SER 8 HA SER 8 68.615 8.810 -8.550 59 1HB SER 8 HB2 SER 8 69.848 11.463 -9.333 60 2HB SER 8 HB1 SER 8 69.648 10.940 -7.663 61 HG SER 8 HG SER 8 71.178 9.484 -7.926 62 H ALA 9 HN ALA 9 66.352 8.796 -8.306 63 HA ALA 9 HA ALA 9 64.926 11.391 -8.558 64 1HB ALA 9 HB1 ALA 9 64.196 8.585 -8.821 65 2HB ALA 9 HB2 ALA 9 63.332 10.019 -9.376 66 3HB ALA 9 HB3 ALA 9 63.105 9.434 -7.727 67 H ASP 10 HN ASP 10 63.275 11.806 -6.739 68 HA ASP 10 HA ASP 10 64.471 11.042 -4.105 69 1HB ASP 10 HB2 ASP 10 64.314 13.622 -5.244 70 2HB ASP 10 HB1 ASP 10 63.068 13.568 -3.996 71 H CYS 11 HN CYS 11 61.509 12.490 -5.521 72 HA CYS 11 HA CYS 11 59.886 11.309 -3.375 73 1HB CYS 11 HB2 CYS 11 59.081 12.853 -5.860 74 2HB CYS 11 HB1 CYS 11 57.998 12.408 -4.541 75 H CYS 12 HN CYS 12 58.420 9.595 -3.650 76 HA CYS 12 HA CYS 12 58.989 7.838 -5.956 77 1HB CYS 12 HB2 CYS 12 57.555 7.497 -3.329 78 2HB CYS 12 HB1 CYS 12 57.345 6.317 -4.623 79 H ILE 13 HN ILE 13 57.808 8.261 -7.765 80 HA ILE 13 HA ILE 13 55.025 9.259 -7.461 81 HB ILE 13 HB ILE 13 56.424 10.530 -8.993 82 1HG1 ILE 13 HG12 ILE 13 54.521 8.752 -10.553 83 2HG1 ILE 13 HG11 ILE 13 54.033 10.154 -9.599 84 1HG2 ILE 13 HG21 ILE 13 58.024 9.518 -10.207 85 2HG2 ILE 13 HG22 ILE 13 56.799 8.611 -11.094 86 3HG2 ILE 13 HG23 ILE 13 57.473 7.956 -9.602 87 1HD1 ILE 13 HD11 ILE 13 55.198 10.056 -12.272 88 2HD1 ILE 13 HD12 ILE 13 56.105 11.119 -11.195 89 3HD1 ILE 13 HD13 ILE 13 54.382 11.390 -11.456 90 H SER 14 HN SER 14 56.849 6.457 -8.463 91 HA SER 14 HA SER 14 54.267 5.046 -8.946 92 1HB SER 14 HB2 SER 14 55.582 3.755 -10.771 93 2HB SER 14 HB1 SER 14 54.990 5.366 -11.169 94 HG SER 14 HG SER 14 57.385 4.633 -11.460 95 H TYR 15 HN TYR 15 54.201 3.034 -7.991 96 HA TYR 15 HA TYR 15 56.644 2.193 -6.514 97 1HB TYR 15 HB2 TYR 15 53.905 0.965 -6.218 98 2HB TYR 15 HB1 TYR 15 55.218 1.021 -5.042 99 HD1 TYR 15 HD1 TYR 15 56.032 3.503 -4.443 100 HD2 TYR 15 HD2 TYR 15 52.145 2.465 -5.947 101 HE1 TYR 15 HE1 TYR 15 55.110 5.607 -3.509 102 HE2 TYR 15 HE2 TYR 15 51.222 4.569 -5.013 103 HH TYR 15 HH TYR 15 52.372 6.240 -2.761 104 H THR 16 HN THR 16 57.299 -0.072 -6.602 105 HA THR 16 HA THR 16 57.334 -1.156 -9.238 106 HB THR 16 HB THR 16 59.079 -1.732 -7.648 107 HG1 THR 16 HG1 THR 16 58.858 -3.367 -9.041 108 1HG2 THR 16 HG21 THR 16 56.864 -2.064 -5.890 109 2HG2 THR 16 HG22 THR 16 58.582 -2.149 -5.499 110 3HG2 THR 16 HG23 THR 16 57.713 -3.608 -5.973 111 HA PRO 17 HA PRO 17 53.314 -3.067 -9.106 112 1HB PRO 17 HB2 PRO 17 53.456 -4.167 -11.621 113 2HB PRO 17 HB1 PRO 17 53.089 -2.460 -11.321 114 1HG PRO 17 HG2 PRO 17 55.612 -3.687 -12.330 115 2HG PRO 17 HG1 PRO 17 54.976 -2.055 -12.593 116 1HD PRO 17 HD2 PRO 17 57.027 -2.765 -10.772 117 2HD PRO 17 HD1 PRO 17 56.160 -1.215 -10.819 118 H ARG 18 HN ARG 18 55.069 -4.480 -7.579 119 HA ARG 18 HA ARG 18 54.351 -7.238 -8.146 120 1HB ARG 18 HB2 ARG 18 57.154 -6.261 -8.632 121 2HB ARG 18 HB1 ARG 18 56.884 -7.907 -8.057 122 1HG ARG 18 HG2 ARG 18 55.123 -8.010 -9.998 123 2HG ARG 18 HG1 ARG 18 56.036 -6.650 -10.652 124 1HD ARG 18 HD2 ARG 18 57.114 -8.505 -11.610 125 2HD ARG 18 HD1 ARG 18 58.126 -8.144 -10.212 126 HE ARG 18 HE ARG 18 57.034 -10.030 -9.041 127 1HH1 ARG 18 HH11 ARG 18 54.614 -10.084 -10.920 128 2HH1 ARG 18 HH12 ARG 18 54.931 -11.531 -11.817 129 1HH2 ARG 18 HH21 ARG 18 58.253 -11.726 -10.844 130 2HH2 ARG 18 HH22 ARG 18 56.990 -12.461 -11.774 131 H SER 19 HN SER 19 54.201 -8.293 -6.206 132 HA SER 19 HA SER 19 54.799 -6.878 -3.759 133 1HB SER 19 HB2 SER 19 54.460 -9.629 -3.180 134 2HB SER 19 HB1 SER 19 53.256 -8.351 -3.040 135 HG SER 19 HG SER 19 53.205 -10.366 -4.678 136 H ILE 20 HN ILE 20 56.988 -6.504 -3.445 137 HA ILE 20 HA ILE 20 58.949 -8.617 -3.962 138 HB ILE 20 HB ILE 20 59.478 -6.047 -2.472 139 1HG1 ILE 20 HG12 ILE 20 58.166 -5.488 -4.487 140 2HG1 ILE 20 HG11 ILE 20 59.844 -4.977 -4.674 141 1HG2 ILE 20 HG21 ILE 20 61.400 -7.417 -2.532 142 2HG2 ILE 20 HG22 ILE 20 61.624 -6.328 -3.901 143 3HG2 ILE 20 HG23 ILE 20 61.058 -7.977 -4.169 144 1HD1 ILE 20 HD11 ILE 20 59.234 -6.067 -6.722 145 2HD1 ILE 20 HD12 ILE 20 58.522 -7.429 -5.857 146 3HD1 ILE 20 HD13 ILE 20 60.270 -7.192 -5.844 147 HA PRO 21 HA PRO 21 58.609 -10.249 0.146 148 1HB PRO 21 HB2 PRO 21 60.734 -11.981 -0.045 149 2HB PRO 21 HB1 PRO 21 59.149 -12.293 -0.773 150 1HG PRO 21 HG2 PRO 21 61.695 -11.489 -2.097 151 2HG PRO 21 HG1 PRO 21 60.316 -12.376 -2.764 152 1HD PRO 21 HD2 PRO 21 60.890 -9.630 -3.179 153 2HD PRO 21 HD1 PRO 21 59.370 -10.457 -3.582 154 H CYS 22 HN CYS 22 59.633 -9.861 2.149 155 HA CYS 22 HA CYS 22 61.654 -7.806 2.234 156 1HB CYS 22 HB2 CYS 22 60.954 -9.595 4.557 157 2HB CYS 22 HB1 CYS 22 61.395 -7.891 4.571 158 H SER 23 HN SER 23 61.814 -11.174 1.809 159 HA SER 23 HA SER 23 64.080 -11.999 3.217 160 1HB SER 23 HB2 SER 23 63.357 -12.652 0.344 161 2HB SER 23 HB1 SER 23 64.508 -13.554 1.327 162 HG SER 23 HG SER 23 62.414 -14.479 1.379 163 H LEU 24 HN LEU 24 63.909 -9.978 0.317 164 HA LEU 24 HA LEU 24 66.883 -9.712 0.400 165 1HB LEU 24 HB2 LEU 24 66.573 -8.676 -1.886 166 2HB LEU 24 HB1 LEU 24 66.101 -10.372 -1.788 167 HG LEU 24 HG LEU 24 63.933 -8.498 -1.122 168 1HD1 LEU 24 HD11 LEU 24 65.561 -7.803 -3.309 169 2HD1 LEU 24 HD12 LEU 24 63.936 -7.208 -2.970 170 3HD1 LEU 24 HD13 LEU 24 64.160 -8.614 -4.011 171 1HD2 LEU 24 HD21 LEU 24 62.871 -10.036 -2.948 172 2HD2 LEU 24 HD22 LEU 24 63.314 -10.752 -1.398 173 3HD2 LEU 24 HD23 LEU 24 64.363 -10.965 -2.800 174 H LEU 25 HN LEU 25 64.953 -8.362 2.223 175 HA LEU 25 HA LEU 25 65.645 -5.544 1.492 176 1HB LEU 25 HB2 LEU 25 63.140 -6.563 2.868 177 2HB LEU 25 HB1 LEU 25 63.555 -4.859 2.675 178 HG LEU 25 HG LEU 25 63.130 -6.850 0.427 179 1HD1 LEU 25 HD11 LEU 25 61.308 -5.275 1.946 180 2HD1 LEU 25 HD12 LEU 25 60.969 -6.229 0.502 181 3HD1 LEU 25 HD13 LEU 25 61.436 -4.535 0.350 182 1HD2 LEU 25 HD21 LEU 25 63.338 -4.809 -1.011 183 2HD2 LEU 25 HD22 LEU 25 64.835 -5.211 -0.171 184 3HD2 LEU 25 HD23 LEU 25 63.820 -3.895 0.418 185 H GLU 26 HN GLU 26 66.829 -4.508 3.032 186 HA GLU 26 HA GLU 26 67.306 -5.915 5.594 187 1HB GLU 26 HB2 GLU 26 69.037 -4.670 3.926 188 2HB GLU 26 HB1 GLU 26 68.659 -3.335 5.014 189 1HG GLU 26 HG2 GLU 26 69.149 -4.897 6.946 190 2HG GLU 26 HG1 GLU 26 69.757 -6.056 5.763 191 H SER 27 HN SER 27 65.710 -3.087 4.315 192 HA SER 27 HA SER 27 64.241 -2.651 6.742 193 1HB SER 27 HB2 SER 27 65.349 -0.938 7.785 194 2HB SER 27 HB1 SER 27 66.752 -1.678 7.019 195 HG SER 27 HG SER 27 66.909 0.302 6.246 196 H TYR 28 HN TYR 28 63.207 -0.267 6.559 197 HA TYR 28 HA TYR 28 62.925 0.638 3.777 198 1HB TYR 28 HB2 TYR 28 60.536 0.219 3.628 199 2HB TYR 28 HB1 TYR 28 61.348 -1.308 3.976 200 HD1 TYR 28 HD1 TYR 28 60.749 -2.572 5.867 201 HD2 TYR 28 HD2 TYR 28 59.630 1.569 5.640 202 HE1 TYR 28 HE1 TYR 28 59.394 -2.824 7.930 203 HE2 TYR 28 HE2 TYR 28 58.276 1.316 7.703 204 HH TYR 28 HH TYR 28 58.594 -1.089 9.825 205 H PHE 29 HN PHE 29 61.425 2.571 3.694 206 HA PHE 29 HA PHE 29 60.774 3.840 6.258 207 1HB PHE 29 HB2 PHE 29 62.159 5.907 5.582 208 2HB PHE 29 HB1 PHE 29 63.047 4.529 6.232 209 HD1 PHE 29 HD1 PHE 29 62.494 6.651 3.341 210 HD2 PHE 29 HD2 PHE 29 64.179 2.924 4.651 211 HE1 PHE 29 HE1 PHE 29 63.815 6.512 1.246 212 HE2 PHE 29 HE2 PHE 29 65.500 2.785 2.556 213 HZ PHE 29 HZ PHE 29 65.318 4.579 0.854 214 H GLU 30 HN GLU 30 60.068 6.275 5.639 215 HA GLU 30 HA GLU 30 58.355 5.988 3.205 216 1HB GLU 30 HB2 GLU 30 57.952 7.321 5.865 217 2HB GLU 30 HB1 GLU 30 57.097 7.944 4.453 218 1HG GLU 30 HG2 GLU 30 56.174 5.699 4.015 219 2HG GLU 30 HG1 GLU 30 57.028 5.071 5.424 220 H THR 31 HN THR 31 57.973 8.016 1.982 221 HA THR 31 HA THR 31 60.478 9.545 1.735 222 HB THR 31 HB THR 31 59.157 10.631 -0.193 223 HG1 THR 31 HG1 THR 31 57.096 10.121 0.381 224 1HG2 THR 31 HG21 THR 31 60.824 8.888 -0.575 225 2HG2 THR 31 HG22 THR 31 59.429 8.607 -1.617 226 3HG2 THR 31 HG23 THR 31 59.650 7.641 -0.158 227 H ASN 32 HN ASN 32 60.258 11.995 1.468 228 HA ASN 32 HA ASN 32 59.105 13.114 3.846 229 1HB ASN 32 HB2 ASN 32 59.811 14.715 1.384 230 2HB ASN 32 HB1 ASN 32 59.931 15.198 3.076 231 1HD2 ASN 32 HD21 ASN 32 61.324 13.159 4.278 232 2HD2 ASN 32 HD22 ASN 32 62.841 12.943 3.547 233 H SER 33 HN SER 33 57.036 13.767 4.202 234 HA SER 33 HA SER 33 54.899 13.316 2.445 235 1HB SER 33 HB2 SER 33 55.284 15.098 4.821 236 2HB SER 33 HB1 SER 33 53.826 15.295 3.853 237 HG SER 33 HG SER 33 53.402 13.086 4.170 238 H GLU 34 HN GLU 34 57.138 15.997 2.545 239 HA GLU 34 HA GLU 34 55.691 17.974 1.153 240 1HB GLU 34 HB2 GLU 34 58.632 17.262 0.935 241 2HB GLU 34 HB1 GLU 34 57.915 18.758 0.337 242 1HG GLU 34 HG2 GLU 34 58.039 17.806 3.209 243 2HG GLU 34 HG1 GLU 34 58.822 19.228 2.520 244 H CYS 35 HN CYS 35 56.874 14.915 0.043 245 HA CYS 35 HA CYS 35 56.927 15.579 -2.783 246 1HB CYS 35 HB2 CYS 35 56.790 12.941 -1.300 247 2HB CYS 35 HB1 CYS 35 56.905 13.063 -3.056 248 H SER 36 HN SER 36 55.191 15.772 -4.114 249 HA SER 36 HA SER 36 52.522 15.772 -3.263 250 1HB SER 36 HB2 SER 36 51.990 16.148 -5.467 251 2HB SER 36 HB1 SER 36 53.730 16.394 -5.591 252 HG SER 36 HG SER 36 52.517 14.789 -7.040 253 H LYS 37 HN LYS 37 54.369 13.082 -4.703 254 HA LYS 37 HA LYS 37 52.125 11.269 -3.911 255 1HB LYS 37 HB2 LYS 37 54.309 10.782 -5.961 256 2HB LYS 37 HB1 LYS 37 52.936 9.727 -5.624 257 1HG LYS 37 HG2 LYS 37 52.368 12.577 -6.324 258 2HG LYS 37 HG1 LYS 37 52.862 11.490 -7.623 259 1HD LYS 37 HD2 LYS 37 51.054 9.946 -7.074 260 2HD LYS 37 HD1 LYS 37 50.592 10.937 -5.690 261 1HE LYS 37 HE2 LYS 37 49.258 12.144 -7.039 262 2HE LYS 37 HE1 LYS 37 50.684 12.669 -7.934 263 1HZ LYS 37 HZ1 LYS 37 48.950 10.332 -8.468 264 2HZ LYS 37 HZ2 LYS 37 50.498 10.484 -9.151 265 3HZ LYS 37 HZ3 LYS 37 49.298 11.636 -9.495 266 HA PRO 38 HA PRO 38 55.473 10.177 -1.031 267 1HB PRO 38 HB2 PRO 38 53.752 9.560 1.023 268 2HB PRO 38 HB1 PRO 38 54.342 11.199 0.699 269 1HG PRO 38 HG2 PRO 38 51.651 10.031 0.157 270 2HG PRO 38 HG1 PRO 38 52.102 11.718 0.456 271 1HD PRO 38 HD2 PRO 38 51.544 10.579 -2.073 272 2HD PRO 38 HD1 PRO 38 52.323 12.150 -1.786 273 H GLY 39 HN GLY 39 55.763 8.039 0.192 274 1HA GLY 39 HA2 GLY 39 54.076 5.814 -0.167 275 2HA GLY 39 HA1 GLY 39 55.240 5.830 -1.488 276 H VAL 40 HN VAL 40 55.669 3.687 -0.133 277 HA VAL 40 HA VAL 40 57.663 4.317 2.002 278 HB VAL 40 HB VAL 40 56.584 1.557 1.505 279 1HG1 VAL 40 HG11 VAL 40 57.003 2.785 4.192 280 2HG1 VAL 40 HG12 VAL 40 58.439 2.457 3.222 281 3HG1 VAL 40 HG13 VAL 40 57.340 1.143 3.642 282 1HG2 VAL 40 HG21 VAL 40 55.135 3.914 2.674 283 2HG2 VAL 40 HG22 VAL 40 54.867 2.313 3.364 284 3HG2 VAL 40 HG23 VAL 40 54.509 2.611 1.663 285 H ILE 41 HN ILE 41 59.782 3.807 1.624 286 HA ILE 41 HA ILE 41 60.396 2.419 -0.944 287 HB ILE 41 HB ILE 41 62.004 4.317 0.782 288 1HG1 ILE 41 HG12 ILE 41 61.072 4.444 -2.105 289 2HG1 ILE 41 HG11 ILE 41 60.316 5.297 -0.759 290 1HG2 ILE 41 HG21 ILE 41 63.770 4.048 -0.983 291 2HG2 ILE 41 HG22 ILE 41 62.849 2.693 -1.636 292 3HG2 ILE 41 HG23 ILE 41 63.526 2.597 -0.010 293 1HD1 ILE 41 HD11 ILE 41 62.986 5.776 -2.044 294 2HD1 ILE 41 HD12 ILE 41 62.755 6.204 -0.349 295 3HD1 ILE 41 HD13 ILE 41 61.742 6.942 -1.590 296 H PHE 42 HN PHE 42 61.801 0.628 -0.947 297 HA PHE 42 HA PHE 42 62.502 -0.447 1.757 298 1HB PHE 42 HB2 PHE 42 61.457 -1.852 -0.706 299 2HB PHE 42 HB1 PHE 42 62.294 -2.726 0.577 300 HD1 PHE 42 HD1 PHE 42 59.458 -0.355 -0.008 301 HD2 PHE 42 HD2 PHE 42 61.128 -3.421 2.495 302 HE1 PHE 42 HE1 PHE 42 57.366 -0.408 1.323 303 HE2 PHE 42 HE2 PHE 42 59.036 -3.474 3.826 304 HZ PHE 42 HZ PHE 42 57.155 -1.968 3.240 305 H LEU 43 HN LEU 43 64.646 -0.888 2.033 306 HA LEU 43 HA LEU 43 66.402 -0.696 -0.362 307 1HB LEU 43 HB2 LEU 43 66.785 0.747 1.715 308 2HB LEU 43 HB1 LEU 43 67.272 -0.737 2.535 309 HG LEU 43 HG LEU 43 68.712 -0.898 0.205 310 1HD1 LEU 43 HD11 LEU 43 67.857 1.823 0.459 311 2HD1 LEU 43 HD12 LEU 43 68.940 1.127 -0.747 312 3HD1 LEU 43 HD13 LEU 43 69.593 1.758 0.765 313 1HD2 LEU 43 HD21 LEU 43 69.223 -0.075 3.009 314 2HD2 LEU 43 HD22 LEU 43 70.485 0.347 1.852 315 3HD2 LEU 43 HD23 LEU 43 69.996 -1.336 2.048 316 H THR 44 HN THR 44 67.706 -2.417 -0.971 317 HA THR 44 HA THR 44 67.205 -4.985 0.456 318 HB THR 44 HB THR 44 67.850 -6.085 -1.603 319 HG1 THR 44 HG1 THR 44 68.367 -3.516 -2.668 320 1HG2 THR 44 HG21 THR 44 65.667 -5.622 -2.041 321 2HG2 THR 44 HG22 THR 44 66.332 -4.486 -3.215 322 3HG2 THR 44 HG23 THR 44 65.844 -3.919 -1.618 323 H LYS 45 HN LYS 45 69.280 -6.516 0.088 324 HA LYS 45 HA LYS 45 71.446 -5.183 1.530 325 1HB LYS 45 HB2 LYS 45 70.636 -7.613 1.845 326 2HB LYS 45 HB1 LYS 45 71.549 -7.973 0.379 327 1HG LYS 45 HG2 LYS 45 73.303 -6.433 1.912 328 2HG LYS 45 HG1 LYS 45 72.523 -7.495 3.084 329 1HD LYS 45 HD2 LYS 45 73.245 -9.449 1.976 330 2HD LYS 45 HD1 LYS 45 73.594 -8.578 0.482 331 1HE LYS 45 HE2 LYS 45 75.721 -8.307 1.158 332 2HE LYS 45 HE1 LYS 45 75.145 -7.370 2.537 333 1HZ LYS 45 HZ1 LYS 45 74.638 -9.730 3.483 334 2HZ LYS 45 HZ2 LYS 45 76.205 -9.080 3.585 335 3HZ LYS 45 HZ3 LYS 45 75.830 -10.218 2.380 336 H LYS 46 HN LYS 46 70.634 -5.102 -1.630 337 HA LYS 46 HA LYS 46 73.446 -5.305 -2.604 338 1HB LYS 46 HB2 LYS 46 70.759 -5.511 -3.923 339 2HB LYS 46 HB1 LYS 46 72.141 -4.979 -4.881 340 1HG LYS 46 HG2 LYS 46 72.468 -7.398 -3.150 341 2HG LYS 46 HG1 LYS 46 71.560 -7.562 -4.653 342 1HD LYS 46 HD2 LYS 46 73.506 -7.686 -5.772 343 2HD LYS 46 HD1 LYS 46 73.863 -6.033 -5.271 344 1HE LYS 46 HE2 LYS 46 75.687 -7.456 -4.540 345 2HE LYS 46 HE1 LYS 46 74.776 -6.949 -3.118 346 1HZ LYS 46 HZ1 LYS 46 74.749 -9.133 -2.683 347 2HZ LYS 46 HZ2 LYS 46 75.062 -9.579 -4.292 348 3HZ LYS 46 HZ3 LYS 46 73.482 -9.182 -3.809 349 H GLY 47 HN GLY 47 72.265 -3.050 -1.016 350 1HA GLY 47 HA2 GLY 47 72.322 -0.717 -1.026 351 2HA GLY 47 HA1 GLY 47 73.478 -0.885 -2.343 352 H ARG 48 HN ARG 48 70.254 -2.197 -2.634 353 HA ARG 48 HA ARG 48 69.580 0.042 -4.504 354 1HB ARG 48 HB2 ARG 48 70.023 -2.595 -5.226 355 2HB ARG 48 HB1 ARG 48 68.267 -2.518 -5.073 356 1HG ARG 48 HG2 ARG 48 68.156 -1.470 -7.059 357 2HG ARG 48 HG1 ARG 48 69.100 -0.138 -6.389 358 1HD ARG 48 HD2 ARG 48 71.180 -1.512 -6.871 359 2HD ARG 48 HD1 ARG 48 70.145 -2.620 -7.772 360 HE ARG 48 HE ARG 48 70.441 0.269 -8.499 361 1HH1 ARG 48 HH21 ARG 48 68.241 -1.307 -9.795 362 2HH1 ARG 48 HH22 ARG 48 68.998 -1.852 -11.254 363 1HH2 ARG 48 HH11 ARG 48 72.216 -1.193 -10.144 364 2HH2 ARG 48 HH12 ARG 48 71.249 -1.787 -11.452 365 H ARG 49 HN ARG 49 67.294 0.568 -4.619 366 HA ARG 49 HA ARG 49 65.514 -0.717 -2.639 367 1HB ARG 49 HB2 ARG 49 64.926 1.578 -1.705 368 2HB ARG 49 HB1 ARG 49 66.513 0.961 -1.244 369 1HG ARG 49 HG2 ARG 49 67.644 2.395 -2.726 370 2HG ARG 49 HG1 ARG 49 66.197 2.685 -3.693 371 1HD ARG 49 HD2 ARG 49 65.493 4.364 -2.342 372 2HD ARG 49 HD1 ARG 49 65.904 3.473 -0.876 373 HE ARG 49 HE ARG 49 68.363 4.168 -1.619 374 1HH1 ARG 49 HH21 ARG 49 66.448 6.042 -3.414 375 2HH1 ARG 49 HH22 ARG 49 66.759 7.545 -2.612 376 1HH2 ARG 49 HH11 ARG 49 68.336 6.073 0.104 377 2HH2 ARG 49 HH12 ARG 49 67.828 7.563 -0.619 378 H PHE 50 HN PHE 50 63.253 -0.015 -2.931 379 HA PHE 50 HA PHE 50 62.701 1.529 -5.401 380 1HB PHE 50 HB2 PHE 50 60.981 -0.361 -5.962 381 2HB PHE 50 HB1 PHE 50 62.673 -0.594 -6.400 382 HD1 PHE 50 HD1 PHE 50 60.346 -1.156 -3.508 383 HD2 PHE 50 HD2 PHE 50 63.741 -2.557 -5.736 384 HE1 PHE 50 HE1 PHE 50 60.436 -3.190 -2.092 385 HE2 PHE 50 HE2 PHE 50 63.831 -4.591 -4.320 386 HZ PHE 50 HZ PHE 50 62.178 -4.908 -2.498 387 H CYS 51 HN CYS 51 60.413 2.197 -5.513 388 HA CYS 51 HA CYS 51 59.356 2.802 -2.872 389 1HB CYS 51 HB2 CYS 51 58.009 3.253 -5.543 390 2HB CYS 51 HB1 CYS 51 57.747 4.131 -4.041 391 H ALA 52 HN ALA 52 57.116 2.250 -2.237 392 HA ALA 52 HA ALA 52 55.868 -0.036 -3.618 393 1HB ALA 52 HB1 ALA 52 56.711 -1.607 -2.243 394 2HB ALA 52 HB2 ALA 52 55.907 -0.807 -0.893 395 3HB ALA 52 HB3 ALA 52 57.566 -0.377 -1.312 396 H ASN 53 HN ASN 53 53.662 -0.355 -2.924 397 HA ASN 53 HA ASN 53 52.463 2.084 -1.823 398 1HB ASN 53 HB2 ASN 53 51.537 0.669 -3.766 399 2HB ASN 53 HB1 ASN 53 50.993 -0.457 -2.523 400 1HD2 ASN 53 HD21 ASN 53 48.728 -0.041 -2.622 401 2HD2 ASN 53 HD22 ASN 53 48.047 1.476 -2.280 402 HA PRO 54 HA PRO 54 52.424 0.314 2.267 403 1HB PRO 54 HB2 PRO 54 51.179 2.456 3.465 404 2HB PRO 54 HB1 PRO 54 52.906 2.421 3.068 405 1HG PRO 54 HG2 PRO 54 50.691 3.874 1.692 406 2HG PRO 54 HG1 PRO 54 52.414 4.279 1.782 407 1HD PRO 54 HD2 PRO 54 51.121 3.095 -0.430 408 2HD PRO 54 HD1 PRO 54 52.878 3.161 -0.168 409 H SER 55 HN SER 55 49.817 0.950 0.217 410 HA SER 55 HA SER 55 47.721 0.244 2.165 411 1HB SER 55 HB2 SER 55 47.403 0.463 -0.833 412 2HB SER 55 HB1 SER 55 46.167 0.654 0.406 413 HG SER 55 HG SER 55 48.450 2.321 0.138 414 H ASP 56 HN ASP 56 49.966 -1.398 0.247 415 HA ASP 56 HA ASP 56 48.271 -3.702 -0.388 416 1HB ASP 56 HB2 ASP 56 50.267 -3.010 -1.764 417 2HB ASP 56 HB1 ASP 56 51.297 -3.517 -0.424 418 H LYS 57 HN LYS 57 48.047 -5.543 0.848 419 HA LYS 57 HA LYS 57 48.666 -5.502 3.621 420 1HB LYS 57 HB2 LYS 57 47.949 -7.805 3.665 421 2HB LYS 57 HB1 LYS 57 46.939 -6.968 2.486 422 1HG LYS 57 HG2 LYS 57 49.010 -7.752 0.900 423 2HG LYS 57 HG1 LYS 57 48.977 -9.073 2.068 424 1HD LYS 57 HD2 LYS 57 46.549 -8.075 0.551 425 2HD LYS 57 HD1 LYS 57 47.501 -9.485 0.088 426 1HE LYS 57 HE2 LYS 57 47.038 -10.489 2.323 427 2HE LYS 57 HE1 LYS 57 46.002 -9.111 2.697 428 1HZ LYS 57 HZ1 LYS 57 45.545 -10.635 0.226 429 2HZ LYS 57 HZ2 LYS 57 44.442 -9.744 1.162 430 3HZ LYS 57 HZ3 LYS 57 44.986 -11.261 1.700 431 H GLN 58 HN GLN 58 50.506 -6.625 0.848 432 HA GLN 58 HA GLN 58 52.432 -8.213 2.222 433 1HB GLN 58 HB2 GLN 58 52.157 -6.977 -0.407 434 2HB GLN 58 HB1 GLN 58 53.827 -6.946 0.161 435 1HG GLN 58 HG2 GLN 58 52.286 -9.480 0.521 436 2HG GLN 58 HG1 GLN 58 52.833 -9.075 -1.106 437 1HE2 GLN 58 HE21 GLN 58 54.181 -11.183 -0.509 438 2HE2 GLN 58 HE22 GLN 58 55.702 -10.899 0.189 439 H VAL 59 HN VAL 59 52.142 -4.723 1.774 440 HA VAL 59 HA VAL 59 54.775 -4.139 2.873 441 HB VAL 59 HB VAL 59 52.325 -2.401 2.449 442 1HG1 VAL 59 HG11 VAL 59 54.050 -0.535 2.699 443 2HG1 VAL 59 HG12 VAL 59 55.126 -1.749 3.391 444 3HG1 VAL 59 HG13 VAL 59 53.601 -1.365 4.189 445 1HG2 VAL 59 HG21 VAL 59 53.951 -1.464 0.656 446 2HG2 VAL 59 HG22 VAL 59 53.178 -3.015 0.330 447 3HG2 VAL 59 HG23 VAL 59 54.849 -2.964 0.892 448 H GLN 60 HN GLN 60 51.449 -4.200 4.128 449 HA GLN 60 HA GLN 60 52.128 -3.250 6.759 450 1HB GLN 60 HB2 GLN 60 49.800 -4.778 5.603 451 2HB GLN 60 HB1 GLN 60 49.926 -4.525 7.344 452 1HG GLN 60 HG2 GLN 60 49.908 -2.141 7.089 453 2HG GLN 60 HG1 GLN 60 50.114 -2.265 5.341 454 1HE2 GLN 60 HE21 GLN 60 47.772 -2.638 7.977 455 2HE2 GLN 60 HE22 GLN 60 46.404 -2.750 6.980 456 H VAL 61 HN VAL 61 52.241 -6.391 5.207 457 HA VAL 61 HA VAL 61 52.560 -7.891 7.679 458 HB VAL 61 HB VAL 61 53.091 -8.553 4.772 459 1HG1 VAL 61 HG11 VAL 61 53.552 -10.157 7.286 460 2HG1 VAL 61 HG12 VAL 61 54.637 -9.928 5.914 461 3HG1 VAL 61 HG13 VAL 61 53.209 -10.949 5.748 462 1HG2 VAL 61 HG21 VAL 61 50.738 -8.388 6.206 463 2HG2 VAL 61 HG22 VAL 61 51.148 -10.097 6.353 464 3HG2 VAL 61 HG23 VAL 61 50.970 -9.367 4.758 465 H CYS 62 HN CYS 62 54.710 -6.345 5.350 466 HA CYS 62 HA CYS 62 57.129 -7.499 6.496 467 1HB CYS 62 HB2 CYS 62 56.737 -6.522 4.099 468 2HB CYS 62 HB1 CYS 62 57.085 -4.972 4.865 469 H MET 63 HN MET 63 55.486 -4.332 6.706 470 HA MET 63 HA MET 63 57.410 -3.046 8.350 471 1HB MET 63 HB2 MET 63 55.699 -1.462 8.877 472 2HB MET 63 HB1 MET 63 55.363 -2.003 7.233 473 1HG MET 63 HG2 MET 63 53.256 -2.263 8.133 474 2HG MET 63 HG1 MET 63 53.928 -3.842 8.540 475 1HE MET 63 HE1 MET 63 51.614 -2.978 11.329 476 2HE MET 63 HE2 MET 63 51.615 -2.924 9.569 477 3HE MET 63 HE3 MET 63 51.603 -1.422 10.488 478 H ARG 64 HN ARG 64 54.992 -5.457 9.105 479 HA ARG 64 HA ARG 64 54.966 -5.044 11.958 480 1HB ARG 64 HB2 ARG 64 54.050 -7.158 10.073 481 2HB ARG 64 HB1 ARG 64 54.318 -7.652 11.746 482 1HG ARG 64 HG2 ARG 64 52.633 -5.268 10.929 483 2HG ARG 64 HG1 ARG 64 51.976 -6.861 11.308 484 1HD ARG 64 HD2 ARG 64 53.217 -6.670 13.544 485 2HD ARG 64 HD1 ARG 64 53.440 -4.966 13.152 486 HE ARG 64 HE ARG 64 51.270 -4.791 14.072 487 1HH1 ARG 64 HH11 ARG 64 51.503 -7.987 13.106 488 2HH1 ARG 64 HH12 ARG 64 49.850 -8.150 12.618 489 1HH2 ARG 64 HH21 ARG 64 49.144 -4.770 12.947 490 2HH2 ARG 64 HH22 ARG 64 48.513 -6.328 12.528 491 H MET 65 HN MET 65 56.542 -7.627 10.026 492 HA MET 65 HA MET 65 58.106 -8.676 12.138 493 1HB MET 65 HB2 MET 65 57.833 -9.750 9.899 494 2HB MET 65 HB1 MET 65 58.887 -8.514 9.211 495 1HG MET 65 HG2 MET 65 60.555 -9.986 9.685 496 2HG MET 65 HG1 MET 65 60.389 -9.374 11.331 497 1HE MET 65 HE1 MET 65 59.731 -12.524 8.935 498 2HE MET 65 HE2 MET 65 58.390 -11.381 8.898 499 3HE MET 65 HE3 MET 65 58.158 -12.978 9.606 500 H LEU 66 HN LEU 66 59.151 -6.354 9.613 501 HA LEU 66 HA LEU 66 61.629 -5.744 10.972 502 1HB LEU 66 HB2 LEU 66 60.108 -4.575 8.663 503 2HB LEU 66 HB1 LEU 66 61.433 -3.651 9.373 504 HG LEU 66 HG LEU 66 62.647 -6.045 9.179 505 1HD1 LEU 66 HD11 LEU 66 60.957 -5.988 6.682 506 2HD1 LEU 66 HD12 LEU 66 60.436 -6.887 8.106 507 3HD1 LEU 66 HD13 LEU 66 61.952 -7.303 7.307 508 1HD2 LEU 66 HD21 LEU 66 63.735 -4.218 8.209 509 2HD2 LEU 66 HD22 LEU 66 62.336 -3.779 7.229 510 3HD2 LEU 66 HD23 LEU 66 63.321 -5.174 6.786 511 H LYS 67 HN LYS 67 60.087 -5.485 13.057 512 HA LYS 67 HA LYS 67 58.603 -3.125 13.485 513 1HB LYS 67 HB2 LYS 67 60.344 -4.687 15.416 514 2HB LYS 67 HB1 LYS 67 59.207 -3.429 15.903 515 1HG LYS 67 HG2 LYS 67 57.337 -4.684 15.023 516 2HG LYS 67 HG1 LYS 67 58.418 -5.876 14.300 517 1HD LYS 67 HD2 LYS 67 59.159 -5.770 17.006 518 2HD LYS 67 HD1 LYS 67 57.395 -5.747 17.012 519 1HE LYS 67 HE2 LYS 67 58.253 -7.638 15.045 520 2HE LYS 67 HE1 LYS 67 59.119 -7.973 16.545 521 1HZ LYS 67 HZ1 LYS 67 57.239 -8.544 17.609 522 2HZ LYS 67 HZ2 LYS 67 56.658 -8.841 16.041 523 3HZ LYS 67 HZ3 LYS 67 56.293 -7.377 16.822 524 H LEU 68 HN LEU 68 61.635 -3.343 15.256 525 HA LEU 68 HA LEU 68 62.143 -0.506 14.704 526 1HB LEU 68 HB2 LEU 68 63.821 -2.489 16.270 527 2HB LEU 68 HB1 LEU 68 63.961 -0.731 16.312 528 HG LEU 68 HG LEU 68 61.579 -2.371 17.221 529 1HD1 LEU 68 HD11 LEU 68 62.378 -2.130 19.328 530 2HD1 LEU 68 HD12 LEU 68 62.834 -0.449 19.051 531 3HD1 LEU 68 HD13 LEU 68 63.918 -1.751 18.559 532 1HD2 LEU 68 HD21 LEU 68 61.891 0.465 16.470 533 2HD2 LEU 68 HD22 LEU 68 61.169 0.214 18.059 534 3HD2 LEU 68 HD23 LEU 68 60.424 -0.501 16.629 535 H ASP 69 HN ASP 69 65.137 -1.050 14.898 536 HA ASP 69 HA ASP 69 65.570 -1.257 12.005 537 1HB ASP 69 HB2 ASP 69 67.023 -0.242 14.316 538 2HB ASP 69 HB1 ASP 69 68.064 -1.204 13.265 539 H THR 70 HN THR 70 64.563 -3.664 12.831 540 HA THR 70 HA THR 70 65.041 -5.966 13.099 541 HB THR 70 HB THR 70 65.471 -5.599 10.713 542 HG1 THR 70 HG1 THR 70 66.778 -7.367 10.433 543 1HG2 THR 70 HG21 THR 70 68.246 -4.863 11.677 544 2HG2 THR 70 HG22 THR 70 67.108 -3.826 10.817 545 3HG2 THR 70 HG23 THR 70 67.850 -5.196 9.991 546 H ARG 71 HN ARG 71 67.688 -7.160 12.671 547 HA ARG 71 HA ARG 71 69.043 -6.228 15.172 548 1HB ARG 71 HB2 ARG 71 68.872 -9.068 14.112 549 2HB ARG 71 HB1 ARG 71 69.653 -8.559 15.610 550 1HG ARG 71 HG2 ARG 71 67.456 -7.698 16.421 551 2HG ARG 71 HG1 ARG 71 66.701 -8.334 14.959 552 1HD ARG 71 HD2 ARG 71 68.359 -10.338 16.273 553 2HD ARG 71 HD1 ARG 71 67.098 -9.729 17.344 554 HE ARG 71 HE ARG 71 66.179 -10.456 14.649 555 1HH1 ARG 71 HH11 ARG 71 67.396 -12.826 16.217 556 2HH1 ARG 71 HH12 ARG 71 65.968 -13.491 16.936 557 1HH2 ARG 71 HH21 ARG 71 64.027 -10.687 16.310 558 2HH2 ARG 71 HH22 ARG 71 64.061 -12.280 16.988 559 H ILE 72 HN ILE 72 71.365 -6.352 15.147 560 HA ILE 72 HA ILE 72 72.497 -6.537 12.384 561 HB ILE 72 HB ILE 72 73.797 -5.086 14.687 562 1HG1 ILE 72 HG12 ILE 72 71.462 -4.242 14.395 563 2HG1 ILE 72 HG11 ILE 72 72.677 -3.039 13.960 564 1HG2 ILE 72 HG21 ILE 72 74.016 -3.973 12.008 565 2HG2 ILE 72 HG22 ILE 72 74.535 -5.658 12.045 566 3HG2 ILE 72 HG23 ILE 72 75.295 -4.478 13.113 567 1HD1 ILE 72 HD11 ILE 72 72.011 -2.999 11.800 568 2HD1 ILE 72 HD12 ILE 72 70.571 -3.857 12.349 569 3HD1 ILE 72 HD13 ILE 72 71.945 -4.759 11.709 570 H LYS 73 HN LYS 73 72.959 -8.792 12.516 571 HA LYS 73 HA LYS 73 75.126 -9.472 14.465 572 1HB LYS 73 HB2 LYS 73 72.604 -10.834 13.839 573 2HB LYS 73 HB1 LYS 73 74.010 -11.893 13.714 574 1HG LYS 73 HG2 LYS 73 74.692 -11.374 15.969 575 2HG LYS 73 HG1 LYS 73 73.472 -10.107 16.101 576 1HD LYS 73 HD2 LYS 73 71.682 -11.757 15.934 577 2HD LYS 73 HD1 LYS 73 72.858 -13.046 15.678 578 1HE LYS 73 HE2 LYS 73 73.749 -12.783 17.897 579 2HE LYS 73 HE1 LYS 73 72.822 -11.305 18.155 580 1HZ LYS 73 HZ1 LYS 73 71.294 -13.666 17.426 581 2HZ LYS 73 HZ2 LYS 73 70.939 -12.444 18.552 582 3HZ LYS 73 HZ3 LYS 73 72.010 -13.697 18.964 583 H THR 74 HN THR 74 75.479 -8.360 11.812 584 HA THR 74 HA THR 74 76.977 -10.631 10.598 585 HB THR 74 HB THR 74 75.179 -8.697 9.104 586 HG1 THR 74 HG1 THR 74 74.341 -10.861 8.447 587 1HG2 THR 74 HG21 THR 74 76.315 -9.172 7.218 588 2HG2 THR 74 HG22 THR 74 76.313 -10.898 7.581 589 3HG2 THR 74 HG23 THR 74 77.573 -9.859 8.245 590 H ARG 75 HN ARG 75 76.424 -7.276 9.522 591 HA ARG 75 HA ARG 75 79.105 -6.467 10.408 592 1HB ARG 75 HB2 ARG 75 78.413 -6.781 7.473 593 2HB ARG 75 HB1 ARG 75 79.787 -5.840 8.057 594 1HG ARG 75 HG2 ARG 75 80.379 -8.024 9.381 595 2HG ARG 75 HG1 ARG 75 79.337 -8.809 8.194 596 1HD ARG 75 HD2 ARG 75 80.762 -8.349 6.433 597 2HD ARG 75 HD1 ARG 75 81.404 -6.894 7.195 598 HE ARG 75 HE ARG 75 82.598 -9.467 7.374 599 1HH1 ARG 75 HH11 ARG 75 83.328 -6.527 8.380 600 2HH1 ARG 75 HH12 ARG 75 83.786 -6.916 10.004 601 1HH2 ARG 75 HH21 ARG 75 82.454 -10.115 9.895 602 2HH2 ARG 75 HH22 ARG 75 83.292 -8.947 10.862 603 H LYS 76 HN LYS 76 79.427 -4.175 8.945 604 HA LYS 76 HA LYS 76 76.876 -2.716 8.824 605 1HB LYS 76 HB2 LYS 76 78.681 -2.573 11.136 606 2HB LYS 76 HB1 LYS 76 78.329 -0.997 10.428 607 1HG LYS 76 HG2 LYS 76 75.861 -1.745 10.440 608 2HG LYS 76 HG1 LYS 76 76.387 -3.024 11.535 609 1HD LYS 76 HD2 LYS 76 75.779 -1.313 13.018 610 2HD LYS 76 HD1 LYS 76 77.521 -1.080 12.862 611 1HE LYS 76 HE2 LYS 76 76.235 0.338 10.734 612 2HE LYS 76 HE1 LYS 76 75.444 0.776 12.249 613 1HZ LYS 76 HZ1 LYS 76 77.679 1.174 13.189 614 2HZ LYS 76 HZ2 LYS 76 77.296 2.219 11.905 615 3HZ LYS 76 HZ3 LYS 76 78.348 0.908 11.654 616 H ASN 77 HN ASN 77 80.414 -2.177 9.061 617 HA ASN 77 HA ASN 77 81.846 -0.955 7.661 618 1HB ASN 77 HB2 ASN 77 80.655 -2.526 5.977 619 2HB ASN 77 HB1 ASN 77 79.705 -1.105 5.540 620 1HD2 ASN 77 HD21 ASN 77 82.437 -2.767 4.627 621 2HD2 ASN 77 HD22 ASN 77 83.321 -1.494 3.935 Start of MODEL 21 1 1H MET 1 HT1 MET 1 75.589 -14.350 -23.303 2 2H MET 1 HT2 MET 1 75.915 -16.016 -23.241 3 3H MET 1 HT3 MET 1 76.916 -14.920 -22.413 4 HA MET 1 HA MET 1 74.266 -15.934 -21.703 5 1HB MET 1 HB2 MET 1 75.267 -15.920 -19.467 6 2HB MET 1 HB1 MET 1 76.354 -16.723 -20.601 7 1HG MET 1 HG2 MET 1 77.071 -14.031 -20.767 8 2HG MET 1 HG1 MET 1 76.778 -14.293 -19.048 9 1HE MET 1 HE1 MET 1 78.888 -13.548 -18.719 10 2HE MET 1 HE2 MET 1 80.411 -14.420 -18.877 11 3HE MET 1 HE3 MET 1 79.241 -14.919 -17.657 12 H ASP 2 HN ASP 2 72.769 -14.285 -22.014 13 HA ASP 2 HA ASP 2 73.402 -11.514 -21.331 14 1HB ASP 2 HB2 ASP 2 70.935 -11.176 -21.782 15 2HB ASP 2 HB1 ASP 2 71.833 -11.881 -23.127 16 H ARG 3 HN ARG 3 73.994 -12.787 -19.066 17 HA ARG 3 HA ARG 3 71.596 -12.755 -17.312 18 1HB ARG 3 HB2 ARG 3 74.455 -13.649 -16.842 19 2HB ARG 3 HB1 ARG 3 73.209 -13.652 -15.594 20 1HG ARG 3 HG2 ARG 3 71.824 -15.157 -16.971 21 2HG ARG 3 HG1 ARG 3 73.064 -15.153 -18.225 22 1HD ARG 3 HD2 ARG 3 73.999 -16.912 -17.169 23 2HD ARG 3 HD1 ARG 3 74.446 -15.796 -15.878 24 HE ARG 3 HE ARG 3 72.424 -16.478 -14.672 25 1HH1 ARG 3 HH11 ARG 3 71.678 -17.532 -17.686 26 2HH1 ARG 3 HH12 ARG 3 71.335 -19.175 -17.260 27 1HH2 ARG 3 HH21 ARG 3 72.623 -18.892 -14.053 28 2HH2 ARG 3 HH22 ARG 3 71.869 -19.945 -15.203 29 H PHE 4 HN PHE 4 72.399 -11.862 -14.951 30 HA PHE 4 HA PHE 4 73.801 -9.268 -15.391 31 1HB PHE 4 HB2 PHE 4 71.199 -9.573 -13.862 32 2HB PHE 4 HB1 PHE 4 72.090 -8.074 -14.129 33 HD1 PHE 4 HD1 PHE 4 69.598 -10.301 -15.426 34 HD2 PHE 4 HD2 PHE 4 72.500 -7.350 -16.576 35 HE1 PHE 4 HE1 PHE 4 68.422 -9.986 -17.586 36 HE2 PHE 4 HE2 PHE 4 71.323 -7.034 -18.736 37 HZ PHE 4 HZ PHE 4 69.284 -8.352 -19.241 38 H HIS 5 HN HIS 5 72.224 -11.195 -12.807 39 HA HIS 5 HA HIS 5 74.781 -11.063 -11.291 40 1HB HIS 5 HB2 HIS 5 72.241 -9.765 -10.577 41 2HB HIS 5 HB1 HIS 5 72.894 -10.789 -9.298 42 HD1 HIS 5 HD1 HIS 5 74.833 -8.686 -11.808 43 HD2 HIS 5 HD2 HIS 5 74.186 -8.918 -7.697 44 HE1 HIS 5 HE1 HIS 5 76.395 -7.002 -10.741 45 H ALA 6 HN ALA 6 71.451 -12.376 -11.309 46 HA ALA 6 HA ALA 6 70.690 -14.546 -10.841 47 1HB ALA 6 HB1 ALA 6 73.377 -14.863 -11.941 48 2HB ALA 6 HB2 ALA 6 71.936 -15.845 -12.208 49 3HB ALA 6 HB3 ALA 6 72.967 -16.153 -10.810 50 H THR 7 HN THR 7 71.789 -12.709 -8.722 51 HA THR 7 HA THR 7 72.310 -14.814 -6.661 52 HB THR 7 HB THR 7 73.663 -13.102 -5.446 53 HG1 THR 7 HG1 THR 7 73.709 -11.623 -7.828 54 1HG2 THR 7 HG21 THR 7 75.587 -13.110 -7.084 55 2HG2 THR 7 HG22 THR 7 74.485 -13.804 -8.273 56 3HG2 THR 7 HG23 THR 7 74.863 -14.693 -6.798 57 H SER 8 HN SER 8 71.193 -14.549 -4.693 58 HA SER 8 HA SER 8 68.833 -12.797 -4.843 59 1HB SER 8 HB2 SER 8 67.899 -14.191 -3.278 60 2HB SER 8 HB1 SER 8 69.152 -15.290 -3.847 61 HG SER 8 HG SER 8 68.846 -14.114 -1.431 62 H ALA 9 HN ALA 9 71.828 -12.007 -4.222 63 HA ALA 9 HA ALA 9 72.061 -11.000 -1.618 64 1HB ALA 9 HB1 ALA 9 74.001 -10.374 -2.584 65 2HB ALA 9 HB2 ALA 9 73.136 -8.996 -3.265 66 3HB ALA 9 HB3 ALA 9 73.295 -10.485 -4.196 67 H ASP 10 HN ASP 10 71.779 -8.712 -0.875 68 HA ASP 10 HA ASP 10 69.994 -6.926 -2.271 69 1HB ASP 10 HB2 ASP 10 68.497 -8.881 -1.439 70 2HB ASP 10 HB1 ASP 10 68.743 -8.188 0.164 71 H CYS 11 HN CYS 11 72.519 -6.884 -0.772 72 HA CYS 11 HA CYS 11 71.905 -5.459 1.729 73 1HB CYS 11 HB2 CYS 11 74.638 -5.560 0.481 74 2HB CYS 11 HB1 CYS 11 74.197 -5.564 2.187 75 H CYS 12 HN CYS 12 71.859 -3.248 1.937 76 HA CYS 12 HA CYS 12 72.024 -1.644 -0.521 77 1HB CYS 12 HB2 CYS 12 71.107 -1.187 2.293 78 2HB CYS 12 HB1 CYS 12 71.555 0.216 1.321 79 H ILE 13 HN ILE 13 73.733 -0.336 -1.067 80 HA ILE 13 HA ILE 13 75.906 -0.026 0.966 81 HB ILE 13 HB ILE 13 76.608 -1.587 -0.787 82 1HG1 ILE 13 HG12 ILE 13 77.986 0.947 -1.579 83 2HG1 ILE 13 HG11 ILE 13 78.062 0.461 0.115 84 1HG2 ILE 13 HG21 ILE 13 76.827 -0.554 -3.148 85 2HG2 ILE 13 HG22 ILE 13 75.659 0.642 -2.587 86 3HG2 ILE 13 HG23 ILE 13 75.220 -1.066 -2.631 87 1HD1 ILE 13 HD11 ILE 13 79.909 -0.405 -1.506 88 2HD1 ILE 13 HD12 ILE 13 78.666 -1.524 -2.067 89 3HD1 ILE 13 HD13 ILE 13 79.177 -1.547 -0.379 90 H SER 14 HN SER 14 73.615 1.572 -0.861 91 HA SER 14 HA SER 14 75.016 4.145 -0.431 92 1HB SER 14 HB2 SER 14 74.753 2.915 -3.011 93 2HB SER 14 HB1 SER 14 73.740 4.355 -2.966 94 HG SER 14 HG SER 14 76.517 4.091 -2.552 95 H TYR 15 HN TYR 15 73.579 5.504 0.520 96 HA TYR 15 HA TYR 15 70.678 4.887 0.232 97 1HB TYR 15 HB2 TYR 15 72.032 6.705 2.244 98 2HB TYR 15 HB1 TYR 15 70.363 6.137 2.285 99 HD1 TYR 15 HD1 TYR 15 73.911 5.005 2.430 100 HD2 TYR 15 HD2 TYR 15 69.804 4.028 3.221 101 HE1 TYR 15 HE1 TYR 15 74.631 2.975 3.660 102 HE2 TYR 15 HE2 TYR 15 70.524 1.998 4.451 103 HH TYR 15 HH TYR 15 73.711 1.484 5.440 104 H THR 16 HN THR 16 69.288 6.392 -0.659 105 HA THR 16 HA THR 16 70.167 8.333 -2.463 106 HB THR 16 HB THR 16 67.829 7.522 -2.327 107 HG1 THR 16 HG1 THR 16 66.914 9.791 -2.355 108 1HG2 THR 16 HG21 THR 16 67.912 7.816 0.282 109 2HG2 THR 16 HG22 THR 16 66.389 8.059 -0.573 110 3HG2 THR 16 HG23 THR 16 67.353 9.450 -0.076 111 HA PRO 17 HA PRO 17 71.696 11.220 0.651 112 1HB PRO 17 HB2 PRO 17 73.312 12.576 -1.112 113 2HB PRO 17 HB1 PRO 17 73.787 11.069 -0.308 114 1HG PRO 17 HG2 PRO 17 72.957 11.505 -3.140 115 2HG PRO 17 HG1 PRO 17 74.005 10.250 -2.458 116 1HD PRO 17 HD2 PRO 17 71.294 9.919 -3.199 117 2HD PRO 17 HD1 PRO 17 72.251 8.794 -2.211 118 H ARG 18 HN ARG 18 69.262 11.919 0.287 119 HA ARG 18 HA ARG 18 69.311 14.735 -0.514 120 1HB ARG 18 HB2 ARG 18 67.598 12.723 -2.005 121 2HB ARG 18 HB1 ARG 18 67.397 14.473 -2.110 122 1HG ARG 18 HG2 ARG 18 69.829 14.608 -2.814 123 2HG ARG 18 HG1 ARG 18 69.812 12.849 -2.945 124 1HD ARG 18 HD2 ARG 18 67.593 14.278 -4.305 125 2HD ARG 18 HD1 ARG 18 69.196 14.481 -5.013 126 HE ARG 18 HE ARG 18 69.022 11.756 -4.636 127 1HH1 ARG 18 HH11 ARG 18 67.678 14.199 -6.591 128 2HH1 ARG 18 HH12 ARG 18 66.721 13.119 -7.549 129 1HH2 ARG 18 HH21 ARG 18 67.505 10.322 -5.656 130 2HH2 ARG 18 HH22 ARG 18 66.622 10.924 -7.019 131 H SER 19 HN SER 19 67.286 15.829 0.135 132 HA SER 19 HA SER 19 66.098 14.488 2.486 133 1HB SER 19 HB2 SER 19 65.394 17.263 1.563 134 2HB SER 19 HB1 SER 19 65.433 16.619 3.201 135 HG SER 19 HG SER 19 67.410 17.756 1.717 136 H ILE 20 HN ILE 20 64.631 12.991 1.587 137 HA ILE 20 HA ILE 20 62.592 14.035 -0.298 138 HB ILE 20 HB ILE 20 63.296 11.247 0.649 139 1HG1 ILE 20 HG12 ILE 20 63.195 11.553 -2.180 140 2HG1 ILE 20 HG11 ILE 20 64.091 12.931 -1.541 141 1HG2 ILE 20 HG21 ILE 20 61.516 10.435 -0.834 142 2HG2 ILE 20 HG22 ILE 20 61.067 12.094 -1.228 143 3HG2 ILE 20 HG23 ILE 20 60.835 11.484 0.410 144 1HD1 ILE 20 HD11 ILE 20 65.022 10.738 -0.067 145 2HD1 ILE 20 HD12 ILE 20 65.878 11.567 -1.368 146 3HD1 ILE 20 HD13 ILE 20 64.898 10.144 -1.723 147 HA PRO 21 HA PRO 21 59.773 14.447 3.096 148 1HB PRO 21 HB2 PRO 21 57.550 14.995 1.576 149 2HB PRO 21 HB1 PRO 21 58.823 16.181 1.909 150 1HG PRO 21 HG2 PRO 21 58.263 14.690 -0.610 151 2HG PRO 21 HG1 PRO 21 59.056 16.258 -0.388 152 1HD PRO 21 HD2 PRO 21 60.357 13.791 -0.889 153 2HD PRO 21 HD1 PRO 21 61.136 15.297 -0.356 154 H CYS 22 HN CYS 22 58.172 13.140 4.102 155 HA CYS 22 HA CYS 22 57.945 10.426 3.242 156 1HB CYS 22 HB2 CYS 22 56.055 11.855 5.122 157 2HB CYS 22 HB1 CYS 22 56.473 10.145 5.106 158 H SER 23 HN SER 23 56.272 13.263 2.296 159 HA SER 23 HA SER 23 53.794 11.932 1.509 160 1HB SER 23 HB2 SER 23 54.965 14.669 1.002 161 2HB SER 23 HB1 SER 23 53.473 14.144 0.227 162 HG SER 23 HG SER 23 52.853 15.086 2.106 163 H LEU 24 HN LEU 24 56.910 11.921 0.272 164 HA LEU 24 HA LEU 24 55.932 11.531 -2.524 165 1HB LEU 24 HB2 LEU 24 57.882 13.188 -1.808 166 2HB LEU 24 HB1 LEU 24 58.844 11.710 -1.850 167 HG LEU 24 HG LEU 24 57.232 11.668 -4.174 168 1HD1 LEU 24 HD11 LEU 24 58.379 13.895 -5.107 169 2HD1 LEU 24 HD12 LEU 24 58.217 14.386 -3.421 170 3HD1 LEU 24 HD13 LEU 24 56.788 13.928 -4.347 171 1HD2 LEU 24 HD21 LEU 24 59.242 10.863 -4.807 172 2HD2 LEU 24 HD22 LEU 24 60.004 11.548 -3.371 173 3HD2 LEU 24 HD23 LEU 24 59.852 12.517 -4.837 174 H LEU 25 HN LEU 25 55.820 9.555 -0.262 175 HA LEU 25 HA LEU 25 57.334 7.387 -1.647 176 1HB LEU 25 HB2 LEU 25 57.156 7.840 1.347 177 2HB LEU 25 HB1 LEU 25 57.816 6.387 0.594 178 HG LEU 25 HG LEU 25 58.892 9.011 -0.329 179 1HD1 LEU 25 HD11 LEU 25 60.368 9.254 1.545 180 2HD1 LEU 25 HD12 LEU 25 59.844 7.719 2.237 181 3HD1 LEU 25 HD13 LEU 25 58.743 9.095 2.212 182 1HD2 LEU 25 HD21 LEU 25 60.916 7.159 0.257 183 2HD2 LEU 25 HD22 LEU 25 60.234 7.497 -1.334 184 3HD2 LEU 25 HD23 LEU 25 59.580 6.184 -0.354 185 H GLU 26 HN GLU 26 56.345 5.264 -1.380 186 HA GLU 26 HA GLU 26 53.436 5.464 -0.723 187 1HB GLU 26 HB2 GLU 26 54.278 4.784 -3.090 188 2HB GLU 26 HB1 GLU 26 54.686 3.243 -2.334 189 1HG GLU 26 HG2 GLU 26 52.274 3.248 -1.429 190 2HG GLU 26 HG1 GLU 26 51.967 4.530 -2.602 191 H SER 27 HN SER 27 56.410 3.710 -0.087 192 HA SER 27 HA SER 27 55.532 2.755 2.445 193 1HB SER 27 HB2 SER 27 54.040 1.309 1.119 194 2HB SER 27 HB1 SER 27 55.424 0.695 0.220 195 HG SER 27 HG SER 27 55.663 -0.672 1.785 196 H TYR 28 HN TYR 28 57.063 0.688 3.024 197 HA TYR 28 HA TYR 28 59.589 0.584 1.615 198 1HB TYR 28 HB2 TYR 28 60.989 1.715 3.236 199 2HB TYR 28 HB1 TYR 28 59.727 2.838 2.730 200 HD1 TYR 28 HD1 TYR 28 58.265 3.797 4.310 201 HD2 TYR 28 HD2 TYR 28 60.592 0.350 5.383 202 HE1 TYR 28 HE1 TYR 28 57.522 4.029 6.664 203 HE2 TYR 28 HE2 TYR 28 59.849 0.582 7.738 204 HH TYR 28 HH TYR 28 58.457 1.643 9.129 205 H PHE 29 HN PHE 29 61.109 -0.885 2.713 206 HA PHE 29 HA PHE 29 60.005 -2.371 5.030 207 1HB PHE 29 HB2 PHE 29 60.746 -4.508 3.635 208 2HB PHE 29 HB1 PHE 29 59.132 -3.823 3.442 209 HD1 PHE 29 HD1 PHE 29 62.415 -4.312 1.892 210 HD2 PHE 29 HD2 PHE 29 58.588 -2.404 1.490 211 HE1 PHE 29 HE1 PHE 29 62.879 -3.887 -0.507 212 HE2 PHE 29 HE2 PHE 29 59.052 -1.979 -0.909 213 HZ PHE 29 HZ PHE 29 61.198 -2.719 -1.907 214 H GLU 30 HN GLU 30 61.781 -4.284 5.433 215 HA GLU 30 HA GLU 30 64.387 -2.836 5.500 216 1HB GLU 30 HB2 GLU 30 63.119 -4.939 7.234 217 2HB GLU 30 HB1 GLU 30 64.874 -4.768 7.211 218 1HG GLU 30 HG2 GLU 30 64.385 -2.227 7.566 219 2HG GLU 30 HG1 GLU 30 62.798 -2.781 8.103 220 H THR 31 HN THR 31 66.353 -4.180 5.154 221 HA THR 31 HA THR 31 65.954 -5.980 2.862 222 HB THR 31 HB THR 31 68.578 -6.075 3.140 223 HG1 THR 31 HG1 THR 31 69.189 -3.995 4.115 224 1HG2 THR 31 HG21 THR 31 67.682 -4.981 1.248 225 2HG2 THR 31 HG22 THR 31 68.653 -3.739 2.039 226 3HG2 THR 31 HG23 THR 31 66.900 -3.742 2.229 227 H ASN 32 HN ASN 32 67.634 -7.976 2.976 228 HA ASN 32 HA ASN 32 66.573 -9.745 4.992 229 1HB ASN 32 HB2 ASN 32 68.163 -11.389 4.071 230 2HB ASN 32 HB1 ASN 32 67.317 -10.547 2.772 231 1HD2 ASN 32 HD21 ASN 32 70.003 -11.804 2.596 232 2HD2 ASN 32 HD22 ASN 32 71.082 -10.557 2.194 233 H SER 33 HN SER 33 67.506 -10.435 6.917 234 HA SER 33 HA SER 33 69.476 -8.709 8.139 235 1HB SER 33 HB2 SER 33 68.178 -9.599 9.805 236 2HB SER 33 HB1 SER 33 67.900 -11.100 8.927 237 HG SER 33 HG SER 33 69.776 -11.889 9.659 238 H GLU 34 HN GLU 34 69.679 -11.514 6.161 239 HA GLU 34 HA GLU 34 72.199 -12.532 7.139 240 1HB GLU 34 HB2 GLU 34 70.580 -12.883 4.634 241 2HB GLU 34 HB1 GLU 34 72.244 -13.467 4.676 242 1HG GLU 34 HG2 GLU 34 71.092 -14.294 7.111 243 2HG GLU 34 HG1 GLU 34 69.881 -14.632 5.873 244 H CYS 35 HN CYS 35 71.295 -9.871 5.106 245 HA CYS 35 HA CYS 35 73.756 -9.583 3.654 246 1HB CYS 35 HB2 CYS 35 71.362 -7.939 4.197 247 2HB CYS 35 HB1 CYS 35 72.836 -7.017 3.902 248 H SER 36 HN SER 36 75.666 -8.559 4.229 249 HA SER 36 HA SER 36 76.281 -8.262 7.019 250 1HB SER 36 HB2 SER 36 78.067 -8.765 5.473 251 2HB SER 36 HB1 SER 36 77.718 -7.326 4.520 252 HG SER 36 HG SER 36 78.604 -6.089 6.039 253 H LYS 37 HN LYS 37 75.130 -6.052 4.556 254 HA LYS 37 HA LYS 37 75.144 -3.874 6.608 255 1HB LYS 37 HB2 LYS 37 75.609 -3.760 3.625 256 2HB LYS 37 HB1 LYS 37 75.152 -2.332 4.554 257 1HG LYS 37 HG2 LYS 37 77.106 -2.739 6.058 258 2HG LYS 37 HG1 LYS 37 77.594 -4.069 5.008 259 1HD LYS 37 HD2 LYS 37 77.063 -1.689 3.445 260 2HD LYS 37 HD1 LYS 37 78.254 -1.351 4.701 261 1HE LYS 37 HE2 LYS 37 79.833 -2.635 3.705 262 2HE LYS 37 HE1 LYS 37 78.683 -3.927 3.358 263 1HZ LYS 37 HZ1 LYS 37 77.890 -1.928 1.712 264 2HZ LYS 37 HZ2 LYS 37 78.854 -3.252 1.258 265 3HZ LYS 37 HZ3 LYS 37 79.579 -1.774 1.681 266 HA PRO 38 HA PRO 38 70.768 -4.585 5.702 267 1HB PRO 38 HB2 PRO 38 69.912 -3.607 8.125 268 2HB PRO 38 HB1 PRO 38 70.455 -5.275 7.877 269 1HG PRO 38 HG2 PRO 38 71.873 -3.019 9.217 270 2HG PRO 38 HG1 PRO 38 72.039 -4.763 9.481 271 1HD PRO 38 HD2 PRO 38 73.819 -3.141 8.000 272 2HD PRO 38 HD1 PRO 38 73.770 -4.917 7.984 273 H GLY 39 HN GLY 39 68.889 -3.000 5.719 274 1HA GLY 39 HA2 GLY 39 69.229 -0.230 6.181 275 2HA GLY 39 HA1 GLY 39 69.550 -0.565 4.482 276 H VAL 40 HN VAL 40 67.440 1.012 4.799 277 HA VAL 40 HA VAL 40 65.069 -0.809 4.659 278 HB VAL 40 HB VAL 40 64.790 2.142 5.109 279 1HG1 VAL 40 HG11 VAL 40 63.280 -0.373 5.838 280 2HG1 VAL 40 HG12 VAL 40 62.741 0.965 4.823 281 3HG1 VAL 40 HG13 VAL 40 62.900 1.188 6.565 282 1HG2 VAL 40 HG21 VAL 40 64.975 1.754 7.555 283 2HG2 VAL 40 HG22 VAL 40 66.505 1.451 6.732 284 3HG2 VAL 40 HG23 VAL 40 65.494 0.098 7.241 285 H ILE 41 HN ILE 41 64.091 -0.919 2.694 286 HA ILE 41 HA ILE 41 65.022 0.916 0.565 287 HB ILE 41 HB ILE 41 63.276 -1.563 0.462 288 1HG1 ILE 41 HG12 ILE 41 65.576 -2.098 1.036 289 2HG1 ILE 41 HG11 ILE 41 65.317 -2.518 -0.657 290 1HG2 ILE 41 HG21 ILE 41 64.418 0.195 -1.729 291 2HG2 ILE 41 HG22 ILE 41 62.712 -0.078 -1.376 292 3HG2 ILE 41 HG23 ILE 41 63.704 -1.394 -2.006 293 1HD1 ILE 41 HD11 ILE 41 67.275 -1.325 -0.886 294 2HD1 ILE 41 HD12 ILE 41 66.946 -0.314 0.522 295 3HD1 ILE 41 HD13 ILE 41 66.127 0.009 -1.006 296 H PHE 42 HN PHE 42 63.861 2.746 0.229 297 HA PHE 42 HA PHE 42 61.009 2.806 1.061 298 1HB PHE 42 HB2 PHE 42 63.093 4.898 0.498 299 2HB PHE 42 HB1 PHE 42 61.384 5.326 0.416 300 HD1 PHE 42 HD1 PHE 42 61.470 6.808 2.360 301 HD2 PHE 42 HD2 PHE 42 62.624 2.681 2.656 302 HE1 PHE 42 HE1 PHE 42 61.387 6.963 4.835 303 HE2 PHE 42 HE2 PHE 42 62.542 2.835 5.130 304 HZ PHE 42 HZ PHE 42 61.923 4.976 6.219 305 H LEU 43 HN LEU 43 59.451 2.583 -0.469 306 HA LEU 43 HA LEU 43 60.246 2.793 -3.325 307 1HB LEU 43 HB2 LEU 43 58.985 0.772 -2.334 308 2HB LEU 43 HB1 LEU 43 57.580 1.837 -2.277 309 HG LEU 43 HG LEU 43 58.723 2.184 -4.840 310 1HD1 LEU 43 HD11 LEU 43 58.088 -0.638 -4.929 311 2HD1 LEU 43 HD12 LEU 43 59.442 -0.351 -3.836 312 3HD1 LEU 43 HD13 LEU 43 59.531 0.192 -5.511 313 1HD2 LEU 43 HD21 LEU 43 56.514 2.097 -5.282 314 2HD2 LEU 43 HD22 LEU 43 56.230 1.604 -3.613 315 3HD2 LEU 43 HD23 LEU 43 56.471 0.384 -4.864 316 H THR 44 HN THR 44 59.225 4.245 -4.733 317 HA THR 44 HA THR 44 57.640 6.385 -3.387 318 HB THR 44 HB THR 44 58.425 7.883 -5.045 319 HG1 THR 44 HG1 THR 44 58.630 7.214 -7.007 320 1HG2 THR 44 HG21 THR 44 60.466 7.864 -4.109 321 2HG2 THR 44 HG22 THR 44 60.957 6.626 -5.265 322 3HG2 THR 44 HG23 THR 44 60.289 6.158 -3.702 323 H LYS 45 HN LYS 45 55.949 7.415 -4.888 324 HA LYS 45 HA LYS 45 54.206 5.286 -5.877 325 1HB LYS 45 HB2 LYS 45 53.479 7.441 -4.666 326 2HB LYS 45 HB1 LYS 45 53.748 8.254 -6.209 327 1HG LYS 45 HG2 LYS 45 52.167 6.725 -7.308 328 2HG LYS 45 HG1 LYS 45 51.913 5.877 -5.783 329 1HD LYS 45 HD2 LYS 45 51.398 8.400 -4.973 330 2HD LYS 45 HD1 LYS 45 50.907 8.532 -6.662 331 1HE LYS 45 HE2 LYS 45 49.953 6.353 -4.785 332 2HE LYS 45 HE1 LYS 45 49.043 7.822 -5.138 333 1HZ LYS 45 HZ1 LYS 45 48.557 7.135 -7.219 334 2HZ LYS 45 HZ2 LYS 45 48.754 5.597 -6.523 335 3HZ LYS 45 HZ3 LYS 45 50.017 6.296 -7.420 336 H LYS 46 HN LYS 46 56.831 6.698 -7.227 337 HA LYS 46 HA LYS 46 55.639 6.848 -9.957 338 1HB LYS 46 HB2 LYS 46 57.078 8.755 -9.013 339 2HB LYS 46 HB1 LYS 46 58.447 7.654 -9.177 340 1HG LYS 46 HG2 LYS 46 56.835 7.660 -11.590 341 2HG LYS 46 HG1 LYS 46 57.366 9.293 -11.185 342 1HD LYS 46 HD2 LYS 46 59.562 8.814 -11.571 343 2HD LYS 46 HD1 LYS 46 59.429 7.191 -10.892 344 1HE LYS 46 HE2 LYS 46 58.496 6.317 -12.908 345 2HE LYS 46 HE1 LYS 46 58.212 7.931 -13.560 346 1HZ LYS 46 HZ1 LYS 46 60.515 8.287 -13.816 347 2HZ LYS 46 HZ2 LYS 46 60.209 6.740 -14.450 348 3HZ LYS 46 HZ3 LYS 46 60.916 6.907 -12.914 349 H GLY 47 HN GLY 47 56.272 4.342 -8.446 350 1HA GLY 47 HA2 GLY 47 57.212 2.254 -8.902 351 2HA GLY 47 HA1 GLY 47 57.361 2.822 -10.562 352 H ARG 48 HN ARG 48 58.886 4.233 -7.695 353 HA ARG 48 HA ARG 48 61.530 3.272 -8.683 354 1HB ARG 48 HB2 ARG 48 60.618 5.891 -9.035 355 2HB ARG 48 HB1 ARG 48 61.663 5.981 -7.617 356 1HG ARG 48 HG2 ARG 48 63.090 4.337 -9.326 357 2HG ARG 48 HG1 ARG 48 62.371 5.516 -10.423 358 1HD ARG 48 HD2 ARG 48 63.948 6.198 -7.924 359 2HD ARG 48 HD1 ARG 48 64.570 6.284 -9.572 360 HE ARG 48 HE ARG 48 62.279 7.858 -9.620 361 1HH1 ARG 48 HH21 ARG 48 65.544 8.093 -8.938 362 2HH1 ARG 48 HH22 ARG 48 65.448 9.610 -8.108 363 1HH2 ARG 48 HH11 ARG 48 61.982 9.657 -8.040 364 2HH2 ARG 48 HH12 ARG 48 63.432 10.496 -7.600 365 H ARG 49 HN ARG 49 62.905 2.686 -7.025 366 HA ARG 49 HA ARG 49 62.154 3.500 -4.255 367 1HB ARG 49 HB2 ARG 49 62.760 1.127 -3.554 368 2HB ARG 49 HB1 ARG 49 61.250 1.286 -4.453 369 1HG ARG 49 HG2 ARG 49 62.479 0.710 -6.547 370 2HG ARG 49 HG1 ARG 49 63.935 0.447 -5.586 371 1HD ARG 49 HD2 ARG 49 62.242 -1.109 -4.196 372 2HD ARG 49 HD1 ARG 49 61.467 -1.209 -5.777 373 HE ARG 49 HE ARG 49 63.914 -1.827 -6.548 374 1HH1 ARG 49 HH21 ARG 49 61.819 -3.254 -4.335 375 2HH1 ARG 49 HH22 ARG 49 62.958 -4.419 -3.746 376 1HH2 ARG 49 HH11 ARG 49 65.644 -3.052 -5.460 377 2HH2 ARG 49 HH12 ARG 49 65.124 -4.303 -4.382 378 H PHE 50 HN PHE 50 63.996 3.164 -2.714 379 HA PHE 50 HA PHE 50 66.657 2.734 -3.851 380 1HB PHE 50 HB2 PHE 50 67.333 5.099 -2.903 381 2HB PHE 50 HB1 PHE 50 66.656 4.968 -4.527 382 HD1 PHE 50 HD1 PHE 50 65.766 5.641 -0.967 383 HD2 PHE 50 HD2 PHE 50 64.605 6.017 -5.085 384 HE1 PHE 50 HE1 PHE 50 63.884 7.113 -0.302 385 HE2 PHE 50 HE2 PHE 50 62.723 7.488 -4.420 386 HZ PHE 50 HZ PHE 50 62.362 8.036 -2.029 387 H CYS 51 HN CYS 51 68.343 2.916 -2.100 388 HA CYS 51 HA CYS 51 67.398 1.689 0.328 389 1HB CYS 51 HB2 CYS 51 70.088 2.893 -0.389 390 2HB CYS 51 HB1 CYS 51 69.772 1.925 1.046 391 H ALA 52 HN ALA 52 67.203 2.603 2.399 392 HA ALA 52 HA ALA 52 67.569 5.562 2.585 393 1HB ALA 52 HB1 ALA 52 65.104 3.986 2.878 394 2HB ALA 52 HB2 ALA 52 65.305 5.718 2.612 395 3HB ALA 52 HB3 ALA 52 65.422 5.057 4.243 396 H ASN 53 HN ASN 53 68.433 6.246 4.540 397 HA ASN 53 HA ASN 53 69.537 4.174 6.280 398 1HB ASN 53 HB2 ASN 53 70.698 6.357 5.627 399 2HB ASN 53 HB1 ASN 53 69.604 7.160 6.753 400 1HD2 ASN 53 HD21 ASN 53 72.651 6.551 6.846 401 2HD2 ASN 53 HD22 ASN 53 72.866 5.844 8.374 402 HA PRO 54 HA PRO 54 65.992 4.364 8.976 403 1HB PRO 54 HB2 PRO 54 66.932 2.508 10.775 404 2HB PRO 54 HB1 PRO 54 66.191 2.081 9.223 405 1HG PRO 54 HG2 PRO 54 69.068 2.021 10.009 406 2HG PRO 54 HG1 PRO 54 68.217 1.055 8.792 407 1HD PRO 54 HD2 PRO 54 69.867 3.287 8.264 408 2HD PRO 54 HD1 PRO 54 68.734 2.537 7.119 409 H SER 55 HN SER 55 69.019 5.608 9.460 410 HA SER 55 HA SER 55 68.476 6.339 12.304 411 1HB SER 55 HB2 SER 55 70.955 5.951 10.703 412 2HB SER 55 HB1 SER 55 70.983 7.244 11.899 413 HG SER 55 HG SER 55 70.119 5.591 13.377 414 H ASP 56 HN ASP 56 68.007 7.505 9.240 415 HA ASP 56 HA ASP 56 68.820 10.281 9.715 416 1HB ASP 56 HB2 ASP 56 68.676 9.099 7.433 417 2HB ASP 56 HB1 ASP 56 66.930 9.316 7.564 418 H LYS 57 HN LYS 57 67.488 11.936 10.414 419 HA LYS 57 HA LYS 57 65.173 11.330 11.949 420 1HB LYS 57 HB2 LYS 57 65.891 13.985 10.667 421 2HB LYS 57 HB1 LYS 57 64.812 13.748 12.042 422 1HG LYS 57 HG2 LYS 57 66.545 13.264 13.499 423 2HG LYS 57 HG1 LYS 57 67.588 12.646 12.218 424 1HD LYS 57 HD2 LYS 57 67.877 14.954 11.357 425 2HD LYS 57 HD1 LYS 57 66.877 15.558 12.679 426 1HE LYS 57 HE2 LYS 57 68.569 14.291 14.212 427 2HE LYS 57 HE1 LYS 57 69.624 14.335 12.800 428 1HZ LYS 57 HZ1 LYS 57 68.916 16.435 14.597 429 2HZ LYS 57 HZ2 LYS 57 68.608 16.865 12.982 430 3HZ LYS 57 HZ3 LYS 57 70.165 16.373 13.451 431 H GLN 58 HN GLN 58 65.507 12.478 8.599 432 HA GLN 58 HA GLN 58 62.761 12.923 8.053 433 1HB GLN 58 HB2 GLN 58 63.340 12.736 5.725 434 2HB GLN 58 HB1 GLN 58 64.726 13.463 6.537 435 1HG GLN 58 HG2 GLN 58 65.655 11.090 6.766 436 2HG GLN 58 HG1 GLN 58 64.403 10.599 5.625 437 1HE2 GLN 58 HE21 GLN 58 66.919 10.208 4.673 438 2HE2 GLN 58 HE22 GLN 58 67.358 11.405 3.552 439 H VAL 59 HN VAL 59 64.624 9.945 8.232 440 HA VAL 59 HA VAL 59 62.571 8.278 7.035 441 HB VAL 59 HB VAL 59 64.976 7.655 8.767 442 1HG1 VAL 59 HG11 VAL 59 62.675 6.010 8.077 443 2HG1 VAL 59 HG12 VAL 59 64.017 5.651 9.164 444 3HG1 VAL 59 HG13 VAL 59 64.170 5.330 7.436 445 1HG2 VAL 59 HG21 VAL 59 65.117 6.471 6.211 446 2HG2 VAL 59 HG22 VAL 59 66.040 7.858 6.787 447 3HG2 VAL 59 HG23 VAL 59 64.512 8.105 5.942 448 H GLN 60 HN GLN 60 63.435 9.226 10.341 449 HA GLN 60 HA GLN 60 61.630 7.448 11.680 450 1HB GLN 60 HB2 GLN 60 62.631 10.184 12.532 451 2HB GLN 60 HB1 GLN 60 61.856 9.008 13.592 452 1HG GLN 60 HG2 GLN 60 64.460 8.617 12.088 453 2HG GLN 60 HG1 GLN 60 64.286 8.845 13.828 454 1HE2 GLN 60 HE21 GLN 60 64.483 6.465 11.403 455 2HE2 GLN 60 HE22 GLN 60 63.894 5.152 12.304 456 H VAL 61 HN VAL 61 61.204 10.619 10.192 457 HA VAL 61 HA VAL 61 58.538 11.027 11.278 458 HB VAL 61 HB VAL 61 59.793 12.292 8.823 459 1HG1 VAL 61 HG11 VAL 61 58.142 13.963 9.030 460 2HG1 VAL 61 HG12 VAL 61 57.748 13.495 10.684 461 3HG1 VAL 61 HG13 VAL 61 57.253 12.471 9.336 462 1HG2 VAL 61 HG21 VAL 61 61.022 13.654 10.169 463 2HG2 VAL 61 HG22 VAL 61 60.802 12.393 11.382 464 3HG2 VAL 61 HG23 VAL 61 59.729 13.792 11.360 465 H CYS 62 HN CYS 62 59.871 9.643 8.304 466 HA CYS 62 HA CYS 62 57.281 9.343 7.031 467 1HB CYS 62 HB2 CYS 62 59.913 7.956 6.446 468 2HB CYS 62 HB1 CYS 62 58.517 8.030 5.378 469 H MET 63 HN MET 63 59.424 7.258 8.951 470 HA MET 63 HA MET 63 57.878 4.855 8.578 471 1HB MET 63 HB2 MET 63 59.176 3.950 10.408 472 2HB MET 63 HB1 MET 63 60.252 4.946 9.427 473 1HG MET 63 HG2 MET 63 60.014 6.809 10.987 474 2HG MET 63 HG1 MET 63 58.842 5.896 11.938 475 1HE MET 63 HE1 MET 63 59.124 4.869 13.636 476 2HE MET 63 HE2 MET 63 60.417 5.745 14.453 477 3HE MET 63 HE3 MET 63 60.502 3.991 14.315 478 H ARG 64 HN ARG 64 57.762 7.501 10.923 479 HA ARG 64 HA ARG 64 55.804 6.239 12.641 480 1HB ARG 64 HB2 ARG 64 57.095 7.996 13.610 481 2HB ARG 64 HB1 ARG 64 56.728 9.096 12.282 482 1HG ARG 64 HG2 ARG 64 54.324 8.067 13.608 483 2HG ARG 64 HG1 ARG 64 55.368 8.990 14.691 484 1HD ARG 64 HD2 ARG 64 55.236 10.932 13.365 485 2HD ARG 64 HD1 ARG 64 54.688 10.036 11.948 486 HE ARG 64 HE ARG 64 52.798 9.837 14.138 487 1HH1 ARG 64 HH21 ARG 64 53.467 12.806 13.648 488 2HH1 ARG 64 HH22 ARG 64 52.211 13.234 12.535 489 1HH2 ARG 64 HH11 ARG 64 51.380 9.949 11.797 490 2HH2 ARG 64 HH12 ARG 64 51.030 11.617 11.487 491 H MET 65 HN MET 65 55.649 7.928 9.621 492 HA MET 65 HA MET 65 52.750 8.459 9.918 493 1HB MET 65 HB2 MET 65 53.979 10.216 8.825 494 2HB MET 65 HB1 MET 65 54.747 9.072 7.724 495 1HG MET 65 HG2 MET 65 52.956 10.159 6.518 496 2HG MET 65 HG1 MET 65 52.455 8.500 6.844 497 1HE MET 65 HE1 MET 65 51.553 11.903 6.666 498 2HE MET 65 HE2 MET 65 52.267 12.228 8.243 499 3HE MET 65 HE3 MET 65 50.523 12.357 8.030 500 H LEU 66 HN LEU 66 54.964 6.485 7.944 501 HA LEU 66 HA LEU 66 52.825 5.233 6.440 502 1HB LEU 66 HB2 LEU 66 55.767 4.801 6.772 503 2HB LEU 66 HB1 LEU 66 54.805 3.479 6.109 504 HG LEU 66 HG LEU 66 54.389 6.233 5.011 505 1HD1 LEU 66 HD11 LEU 66 56.951 5.209 5.152 506 2HD1 LEU 66 HD12 LEU 66 56.387 6.368 3.948 507 3HD1 LEU 66 HD13 LEU 66 56.399 4.644 3.575 508 1HD2 LEU 66 HD21 LEU 66 54.117 4.801 2.919 509 2HD2 LEU 66 HD22 LEU 66 52.931 4.511 4.191 510 3HD2 LEU 66 HD23 LEU 66 54.276 3.392 3.967 511 H LYS 67 HN LYS 67 51.733 4.943 8.775 512 HA LYS 67 HA LYS 67 52.569 2.826 10.479 513 1HB LYS 67 HB2 LYS 67 49.725 3.682 9.853 514 2HB LYS 67 HB1 LYS 67 50.255 2.791 11.280 515 1HG LYS 67 HG2 LYS 67 51.254 5.553 10.530 516 2HG LYS 67 HG1 LYS 67 49.970 5.246 11.700 517 1HD LYS 67 HD2 LYS 67 52.308 3.598 12.236 518 2HD LYS 67 HD1 LYS 67 52.715 5.315 12.236 519 1HE LYS 67 HE2 LYS 67 50.516 5.532 13.675 520 2HE LYS 67 HE1 LYS 67 50.803 3.823 14.003 521 1HZ LYS 67 HZ1 LYS 67 51.881 5.702 15.465 522 2HZ LYS 67 HZ2 LYS 67 53.063 5.664 14.245 523 3HZ LYS 67 HZ3 LYS 67 52.708 4.259 15.133 524 H LEU 68 HN LEU 68 50.996 0.775 10.677 525 HA LEU 68 HA LEU 68 51.492 -0.828 8.340 526 1HB LEU 68 HB2 LEU 68 51.196 -1.566 10.819 527 2HB LEU 68 HB1 LEU 68 49.470 -1.550 10.455 528 HG LEU 68 HG LEU 68 50.284 -2.931 8.321 529 1HD1 LEU 68 HD11 LEU 68 52.088 -4.540 9.197 530 2HD1 LEU 68 HD12 LEU 68 52.428 -3.313 10.417 531 3HD1 LEU 68 HD13 LEU 68 52.631 -2.935 8.707 532 1HD2 LEU 68 HD21 LEU 68 49.680 -4.954 9.520 533 2HD2 LEU 68 HD22 LEU 68 48.686 -3.634 10.138 534 3HD2 LEU 68 HD23 LEU 68 50.072 -4.204 11.067 535 H ASP 69 HN ASP 69 50.336 0.860 6.899 536 HA ASP 69 HA ASP 69 47.398 0.704 6.938 537 1HB ASP 69 HB2 ASP 69 48.825 2.759 6.267 538 2HB ASP 69 HB1 ASP 69 49.071 1.915 4.737 539 H THR 70 HN THR 70 49.926 -1.165 5.698 540 HA THR 70 HA THR 70 49.120 -1.976 3.153 541 HB THR 70 HB THR 70 49.789 -4.313 4.712 542 HG1 THR 70 HG1 THR 70 50.620 -2.978 6.251 543 1HG2 THR 70 HG21 THR 70 51.943 -3.077 3.189 544 2HG2 THR 70 HG22 THR 70 50.434 -3.120 2.276 545 3HG2 THR 70 HG23 THR 70 51.119 -4.613 2.917 546 H ARG 71 HN ARG 71 47.558 -3.416 2.353 547 HA ARG 71 HA ARG 71 45.815 -4.887 4.197 548 1HB ARG 71 HB2 ARG 71 43.744 -3.749 3.251 549 2HB ARG 71 HB1 ARG 71 44.703 -2.765 4.357 550 1HG ARG 71 HG2 ARG 71 45.923 -2.110 2.050 551 2HG ARG 71 HG1 ARG 71 44.318 -2.482 1.419 552 1HD ARG 71 HD2 ARG 71 44.235 -0.878 3.870 553 2HD ARG 71 HD1 ARG 71 45.075 -0.069 2.547 554 HE ARG 71 HE ARG 71 43.007 0.116 1.423 555 1HH1 ARG 71 HH11 ARG 71 41.593 0.198 4.009 556 2HH1 ARG 71 HH12 ARG 71 40.455 -1.100 3.873 557 1HH2 ARG 71 HH21 ARG 71 42.091 -2.609 1.214 558 2HH2 ARG 71 HH22 ARG 71 40.737 -2.689 2.291 559 H ILE 72 HN ILE 72 46.968 -6.470 2.715 560 HA ILE 72 HA ILE 72 46.205 -6.534 -0.091 561 HB ILE 72 HB ILE 72 47.422 -8.665 1.694 562 1HG1 ILE 72 HG12 ILE 72 48.899 -7.207 -0.461 563 2HG1 ILE 72 HG11 ILE 72 48.591 -6.351 1.050 564 1HG2 ILE 72 HG21 ILE 72 47.832 -8.755 -1.227 565 2HG2 ILE 72 HG22 ILE 72 46.176 -9.077 -0.714 566 3HG2 ILE 72 HG23 ILE 72 47.499 -10.067 -0.097 567 1HD1 ILE 72 HD11 ILE 72 50.357 -7.426 1.940 568 2HD1 ILE 72 HD12 ILE 72 50.523 -8.437 0.505 569 3HD1 ILE 72 HD13 ILE 72 49.440 -8.926 1.808 570 H LYS 73 HN LYS 73 43.809 -6.264 0.727 571 HA LYS 73 HA LYS 73 42.546 -8.741 1.652 572 1HB LYS 73 HB2 LYS 73 41.273 -6.194 0.606 573 2HB LYS 73 HB1 LYS 73 40.460 -7.477 1.501 574 1HG LYS 73 HG2 LYS 73 42.659 -6.814 3.094 575 2HG LYS 73 HG1 LYS 73 42.059 -5.262 2.508 576 1HD LYS 73 HD2 LYS 73 39.945 -7.133 3.360 577 2HD LYS 73 HD1 LYS 73 41.018 -6.608 4.658 578 1HE LYS 73 HE2 LYS 73 39.654 -4.789 4.745 579 2HE LYS 73 HE1 LYS 73 40.584 -4.248 3.348 580 1HZ LYS 73 HZ1 LYS 73 38.924 -5.505 1.966 581 2HZ LYS 73 HZ2 LYS 73 38.334 -4.110 2.735 582 3HZ LYS 73 HZ3 LYS 73 37.974 -5.646 3.364 583 H THR 74 HN THR 74 43.903 -9.360 -0.644 584 HA THR 74 HA THR 74 42.380 -9.043 -3.061 585 HB THR 74 HB THR 74 43.784 -10.919 -3.907 586 HG1 THR 74 HG1 THR 74 45.466 -11.419 -2.129 587 1HG2 THR 74 HG21 THR 74 44.759 -8.730 -4.020 588 2HG2 THR 74 HG22 THR 74 46.011 -9.811 -3.405 589 3HG2 THR 74 HG23 THR 74 45.143 -8.747 -2.298 590 H ARG 75 HN ARG 75 42.027 -11.619 -4.059 591 HA ARG 75 HA ARG 75 40.209 -12.971 -2.132 592 1HB ARG 75 HB2 ARG 75 38.376 -13.015 -3.691 593 2HB ARG 75 HB1 ARG 75 38.908 -11.337 -3.573 594 1HG ARG 75 HG2 ARG 75 40.510 -12.201 -5.586 595 2HG ARG 75 HG1 ARG 75 39.097 -13.222 -5.853 596 1HD ARG 75 HD2 ARG 75 38.193 -11.452 -6.929 597 2HD ARG 75 HD1 ARG 75 37.996 -10.723 -5.335 598 HE ARG 75 HE ARG 75 40.376 -9.784 -5.760 599 1HH1 ARG 75 HH21 ARG 75 37.692 -9.054 -7.453 600 2HH1 ARG 75 HH22 ARG 75 38.474 -8.574 -8.922 601 1HH2 ARG 75 HH11 ARG 75 41.575 -9.814 -7.986 602 2HH2 ARG 75 HH12 ARG 75 40.673 -9.004 -9.224 603 H LYS 76 HN LYS 76 39.349 -15.078 -3.322 604 HA LYS 76 HA LYS 76 41.015 -16.215 -5.387 605 1HB LYS 76 HB2 LYS 76 42.349 -16.157 -3.036 606 2HB LYS 76 HB1 LYS 76 41.475 -17.676 -2.840 607 1HG LYS 76 HG2 LYS 76 42.315 -18.362 -5.117 608 2HG LYS 76 HG1 LYS 76 43.331 -16.920 -5.112 609 1HD LYS 76 HD2 LYS 76 44.194 -17.780 -2.828 610 2HD LYS 76 HD1 LYS 76 43.477 -19.322 -3.295 611 1HE LYS 76 HE2 LYS 76 45.121 -18.036 -5.386 612 2HE LYS 76 HE1 LYS 76 46.014 -18.561 -3.959 613 1HZ LYS 76 HZ1 LYS 76 45.922 -20.606 -4.767 614 2HZ LYS 76 HZ2 LYS 76 44.913 -20.123 -6.045 615 3HZ LYS 76 HZ3 LYS 76 44.239 -20.592 -4.557 616 H ASN 77 HN ASN 77 39.141 -17.046 -6.297 617 HA ASN 77 HA ASN 77 37.014 -18.274 -4.833 618 1HB ASN 77 HB2 ASN 77 36.496 -19.333 -7.122 619 2HB ASN 77 HB1 ASN 77 36.517 -17.570 -7.049 620 1HD2 ASN 77 HD21 ASN 77 37.456 -19.936 -9.074 621 2HD2 ASN 77 HD22 ASN 77 38.884 -19.267 -9.703 Start of MODEL 22 1 1H MET 1 HT1 MET 1 85.668 -3.974 -19.374 2 2H MET 1 HT2 MET 1 86.180 -3.149 -17.980 3 3H MET 1 HT3 MET 1 87.324 -3.768 -19.073 4 HA MET 1 HA MET 1 86.676 -2.217 -20.754 5 1HB MET 1 HB2 MET 1 84.315 -2.082 -19.089 6 2HB MET 1 HB1 MET 1 84.958 -0.463 -19.363 7 1HG MET 1 HG2 MET 1 84.522 -2.471 -21.586 8 2HG MET 1 HG1 MET 1 83.323 -1.262 -21.126 9 1HE MET 1 HE1 MET 1 83.635 1.008 -20.903 10 2HE MET 1 HE2 MET 1 84.580 2.040 -21.973 11 3HE MET 1 HE3 MET 1 85.293 1.451 -20.474 12 H ASP 2 HN ASP 2 88.594 -2.480 -18.575 13 HA ASP 2 HA ASP 2 90.182 -1.167 -17.451 14 1HB ASP 2 HB2 ASP 2 89.210 0.508 -19.709 15 2HB ASP 2 HB1 ASP 2 90.087 1.349 -18.431 16 H ARG 3 HN ARG 3 88.104 1.617 -18.010 17 HA ARG 3 HA ARG 3 88.020 2.279 -15.216 18 1HB ARG 3 HB2 ARG 3 86.250 3.926 -15.943 19 2HB ARG 3 HB1 ARG 3 87.753 4.034 -16.860 20 1HG ARG 3 HG2 ARG 3 86.081 2.087 -18.123 21 2HG ARG 3 HG1 ARG 3 85.124 3.544 -17.855 22 1HD ARG 3 HD2 ARG 3 87.906 3.799 -18.952 23 2HD ARG 3 HD1 ARG 3 86.592 3.329 -20.031 24 HE ARG 3 HE ARG 3 85.607 5.557 -18.701 25 1HH1 ARG 3 HH21 ARG 3 88.728 5.994 -18.811 26 2HH1 ARG 3 HH22 ARG 3 88.812 7.061 -20.173 27 1HH2 ARG 3 HH11 ARG 3 85.567 6.420 -21.213 28 2HH2 ARG 3 HH12 ARG 3 87.024 7.301 -21.533 29 H PHE 4 HN PHE 4 85.997 2.396 -13.906 30 HA PHE 4 HA PHE 4 84.430 -0.091 -14.261 31 1HB PHE 4 HB2 PHE 4 85.442 1.265 -12.026 32 2HB PHE 4 HB1 PHE 4 83.699 1.530 -11.959 33 HD1 PHE 4 HD1 PHE 4 82.572 -0.883 -13.120 34 HD2 PHE 4 HD2 PHE 4 85.952 -0.447 -10.506 35 HE1 PHE 4 HE1 PHE 4 82.246 -3.205 -12.312 36 HE2 PHE 4 HE2 PHE 4 85.627 -2.768 -9.698 37 HZ PHE 4 HZ PHE 4 83.774 -4.147 -10.601 38 H HIS 5 HN HIS 5 82.321 -0.078 -14.928 39 HA HIS 5 HA HIS 5 80.962 2.583 -15.107 40 1HB HIS 5 HB2 HIS 5 81.735 1.106 -17.258 41 2HB HIS 5 HB1 HIS 5 80.120 0.452 -16.986 42 HD1 HIS 5 HD1 HIS 5 81.161 4.040 -16.350 43 HD2 HIS 5 HD2 HIS 5 78.751 1.874 -18.974 44 HE1 HIS 5 HE1 HIS 5 79.869 5.744 -17.709 45 H ALA 6 HN ALA 6 79.728 2.347 -13.215 46 HA ALA 6 HA ALA 6 77.572 0.312 -13.391 47 1HB ALA 6 HB1 ALA 6 78.164 -0.811 -11.519 48 2HB ALA 6 HB2 ALA 6 78.511 0.681 -10.645 49 3HB ALA 6 HB3 ALA 6 79.740 -0.037 -11.686 50 H THR 7 HN THR 7 75.618 1.204 -12.855 51 HA THR 7 HA THR 7 75.639 3.753 -11.295 52 HB THR 7 HB THR 7 75.311 4.333 -13.644 53 HG1 THR 7 HG1 THR 7 73.876 5.132 -11.824 54 1HG2 THR 7 HG21 THR 7 74.375 1.917 -14.083 55 2HG2 THR 7 HG22 THR 7 73.809 3.265 -15.069 56 3HG2 THR 7 HG23 THR 7 72.817 2.668 -13.738 57 H SER 8 HN SER 8 74.263 3.669 -9.581 58 HA SER 8 HA SER 8 72.360 1.387 -9.445 59 1HB SER 8 HB2 SER 8 72.259 1.929 -7.024 60 2HB SER 8 HB1 SER 8 73.910 1.628 -7.558 61 HG SER 8 HG SER 8 72.849 4.233 -7.611 62 H ALA 9 HN ALA 9 70.411 1.960 -10.320 63 HA ALA 9 HA ALA 9 69.417 4.705 -10.175 64 1HB ALA 9 HB1 ALA 9 67.823 4.027 -11.687 65 2HB ALA 9 HB2 ALA 9 67.591 2.466 -10.901 66 3HB ALA 9 HB3 ALA 9 68.985 2.727 -11.949 67 H ASP 10 HN ASP 10 68.034 5.513 -8.643 68 HA ASP 10 HA ASP 10 66.823 3.557 -6.730 69 1HB ASP 10 HB2 ASP 10 68.675 5.697 -6.219 70 2HB ASP 10 HB1 ASP 10 67.137 6.065 -5.437 71 H CYS 11 HN CYS 11 66.282 6.055 -8.958 72 HA CYS 11 HA CYS 11 63.943 7.237 -7.713 73 1HB CYS 11 HB2 CYS 11 64.894 7.198 -10.593 74 2HB CYS 11 HB1 CYS 11 63.522 8.144 -10.015 75 H CYS 12 HN CYS 12 61.725 6.887 -8.392 76 HA CYS 12 HA CYS 12 61.265 4.078 -9.269 77 1HB CYS 12 HB2 CYS 12 59.758 6.035 -7.584 78 2HB CYS 12 HB1 CYS 12 58.832 4.831 -8.480 79 H ILE 13 HN ILE 13 60.019 3.632 -11.090 80 HA ILE 13 HA ILE 13 59.240 6.009 -12.733 81 HB ILE 13 HB ILE 13 59.907 3.217 -13.710 82 1HG1 ILE 13 HG12 ILE 13 61.636 5.681 -13.985 83 2HG1 ILE 13 HG11 ILE 13 61.808 4.582 -12.616 84 1HG2 ILE 13 HG21 ILE 13 58.406 4.598 -15.149 85 2HG2 ILE 13 HG22 ILE 13 59.967 4.281 -15.907 86 3HG2 ILE 13 HG23 ILE 13 59.642 5.856 -15.182 87 1HD1 ILE 13 HD11 ILE 13 63.222 4.223 -14.842 88 2HD1 ILE 13 HD12 ILE 13 61.749 3.405 -15.365 89 3HD1 ILE 13 HD13 ILE 13 62.603 2.848 -13.927 90 H SER 14 HN SER 14 58.297 2.725 -11.750 91 HA SER 14 HA SER 14 55.467 3.503 -12.261 92 1HB SER 14 HB2 SER 14 55.257 0.964 -12.981 93 2HB SER 14 HB1 SER 14 55.744 2.185 -14.153 94 HG SER 14 HG SER 14 57.588 0.746 -12.555 95 H TYR 15 HN TYR 15 54.198 3.007 -10.529 96 HA TYR 15 HA TYR 15 55.403 1.617 -8.249 97 1HB TYR 15 HB2 TYR 15 52.597 2.711 -8.623 98 2HB TYR 15 HB1 TYR 15 53.301 2.179 -7.096 99 HD1 TYR 15 HD1 TYR 15 53.404 4.754 -9.741 100 HD2 TYR 15 HD2 TYR 15 54.974 3.507 -5.942 101 HE1 TYR 15 HE1 TYR 15 54.406 7.000 -9.418 102 HE2 TYR 15 HE2 TYR 15 55.976 5.753 -5.619 103 HH TYR 15 HH TYR 15 56.743 7.654 -7.111 104 H THR 16 HN THR 16 54.527 -0.323 -7.301 105 HA THR 16 HA THR 16 53.721 -2.305 -9.231 106 HB THR 16 HB THR 16 55.027 -2.732 -7.097 107 HG1 THR 16 HG1 THR 16 52.734 -4.161 -7.863 108 1HG2 THR 16 HG21 THR 16 53.286 -1.327 -5.770 109 2HG2 THR 16 HG22 THR 16 53.942 -2.780 -5.015 110 3HG2 THR 16 HG23 THR 16 52.338 -2.814 -5.748 111 HA PRO 17 HA PRO 17 49.378 -1.271 -8.922 112 1HB PRO 17 HB2 PRO 17 48.578 -3.012 -10.892 113 2HB PRO 17 HB1 PRO 17 49.287 -1.422 -11.221 114 1HG PRO 17 HG2 PRO 17 50.525 -4.121 -11.494 115 2HG PRO 17 HG1 PRO 17 50.906 -2.620 -12.354 116 1HD PRO 17 HD2 PRO 17 52.383 -3.719 -10.204 117 2HD PRO 17 HD1 PRO 17 52.550 -2.075 -10.854 118 H ARG 18 HN ARG 18 49.982 -2.708 -6.776 119 HA ARG 18 HA ARG 18 47.888 -4.756 -6.671 120 1HB ARG 18 HB2 ARG 18 50.820 -5.446 -6.423 121 2HB ARG 18 HB1 ARG 18 49.564 -6.443 -5.688 122 1HG ARG 18 HG2 ARG 18 48.460 -6.575 -7.955 123 2HG ARG 18 HG1 ARG 18 49.884 -5.780 -8.627 124 1HD ARG 18 HD2 ARG 18 49.868 -8.407 -7.112 125 2HD ARG 18 HD1 ARG 18 50.089 -8.218 -8.851 126 HE ARG 18 HE ARG 18 52.105 -6.665 -7.863 127 1HH1 ARG 18 HH21 ARG 18 52.013 -9.734 -8.777 128 2HH1 ARG 18 HH22 ARG 18 53.107 -10.381 -7.600 129 1HH2 ARG 18 HH11 ARG 18 53.080 -7.533 -5.622 130 2HH2 ARG 18 HH12 ARG 18 53.712 -9.135 -5.814 131 H SER 19 HN SER 19 47.412 -5.369 -4.445 132 HA SER 19 HA SER 19 48.013 -3.211 -2.563 133 1HB SER 19 HB2 SER 19 46.706 -5.248 -1.164 134 2HB SER 19 HB1 SER 19 45.949 -3.841 -1.906 135 HG SER 19 HG SER 19 45.027 -5.234 -3.172 136 H ILE 20 HN ILE 20 49.893 -3.233 -1.435 137 HA ILE 20 HA ILE 20 51.276 -5.797 -0.955 138 HB ILE 20 HB ILE 20 52.093 -2.951 -0.302 139 1HG1 ILE 20 HG12 ILE 20 51.836 -3.558 -2.752 140 2HG1 ILE 20 HG11 ILE 20 53.466 -3.074 -2.281 141 1HG2 ILE 20 HG21 ILE 20 53.283 -4.421 1.158 142 2HG2 ILE 20 HG22 ILE 20 54.386 -4.075 -0.175 143 3HG2 ILE 20 HG23 ILE 20 53.521 -5.611 -0.121 144 1HD1 ILE 20 HD11 ILE 20 52.946 -5.951 -1.959 145 2HD1 ILE 20 HD12 ILE 20 54.323 -5.133 -2.697 146 3HD1 ILE 20 HD13 ILE 20 52.848 -5.393 -3.629 147 HA PRO 21 HA PRO 21 49.474 -5.863 3.131 148 1HB PRO 21 HB2 PRO 21 50.592 -8.266 3.858 149 2HB PRO 21 HB1 PRO 21 49.158 -8.127 2.827 150 1HG PRO 21 HG2 PRO 21 51.954 -8.827 2.066 151 2HG PRO 21 HG1 PRO 21 50.432 -9.261 1.270 152 1HD PRO 21 HD2 PRO 21 52.221 -7.227 0.439 153 2HD PRO 21 HD1 PRO 21 50.560 -7.464 -0.146 154 H CYS 22 HN CYS 22 50.275 -5.155 5.118 155 HA CYS 22 HA CYS 22 53.024 -4.295 5.291 156 1HB CYS 22 HB2 CYS 22 50.628 -3.815 6.707 157 2HB CYS 22 HB1 CYS 22 51.755 -4.493 7.881 158 H SER 23 HN SER 23 51.294 -7.170 6.299 159 HA SER 23 HA SER 23 53.287 -8.134 8.151 160 1HB SER 23 HB2 SER 23 50.791 -8.910 7.702 161 2HB SER 23 HB1 SER 23 51.569 -10.016 6.573 162 HG SER 23 HG SER 23 51.479 -10.073 9.281 163 H LEU 24 HN LEU 24 53.265 -7.824 4.766 164 HA LEU 24 HA LEU 24 55.364 -9.935 4.492 165 1HB LEU 24 HB2 LEU 24 53.297 -10.041 3.008 166 2HB LEU 24 HB1 LEU 24 53.869 -8.555 2.250 167 HG LEU 24 HG LEU 24 56.137 -9.956 2.081 168 1HD1 LEU 24 HD11 LEU 24 55.465 -11.972 3.139 169 2HD1 LEU 24 HD12 LEU 24 55.402 -12.334 1.414 170 3HD1 LEU 24 HD13 LEU 24 53.915 -11.992 2.299 171 1HD2 LEU 24 HD21 LEU 24 55.686 -9.953 -0.157 172 2HD2 LEU 24 HD22 LEU 24 54.224 -9.093 0.327 173 3HD2 LEU 24 HD23 LEU 24 54.172 -10.834 0.051 174 H LEU 25 HN LEU 25 55.762 -7.207 5.589 175 HA LEU 25 HA LEU 25 57.749 -6.268 3.563 176 1HB LEU 25 HB2 LEU 25 55.994 -4.555 5.349 177 2HB LEU 25 HB1 LEU 25 57.289 -3.943 4.321 178 HG LEU 25 HG LEU 25 54.906 -5.518 3.307 179 1HD1 LEU 25 HD11 LEU 25 54.164 -3.351 4.140 180 2HD1 LEU 25 HD12 LEU 25 54.185 -3.311 2.377 181 3HD1 LEU 25 HD13 LEU 25 55.481 -2.540 3.292 182 1HD2 LEU 25 HD21 LEU 25 56.377 -5.790 1.582 183 2HD2 LEU 25 HD22 LEU 25 57.410 -4.470 2.128 184 3HD2 LEU 25 HD23 LEU 25 55.949 -4.122 1.204 185 H GLU 26 HN GLU 26 59.773 -5.811 4.397 186 HA GLU 26 HA GLU 26 60.138 -6.366 7.302 187 1HB GLU 26 HB2 GLU 26 61.452 -7.442 5.187 188 2HB GLU 26 HB1 GLU 26 62.501 -6.066 5.531 189 1HG GLU 26 HG2 GLU 26 61.620 -8.161 7.540 190 2HG GLU 26 HG1 GLU 26 63.222 -8.043 6.811 191 H SER 27 HN SER 27 60.440 -3.888 4.875 192 HA SER 27 HA SER 27 60.647 -1.778 6.773 193 1HB SER 27 HB2 SER 27 62.938 -2.811 7.065 194 2HB SER 27 HB1 SER 27 63.276 -2.382 5.390 195 HG SER 27 HG SER 27 63.701 -0.457 6.090 196 H TYR 28 HN TYR 28 61.436 0.324 5.552 197 HA TYR 28 HA TYR 28 61.150 0.193 2.634 198 1HB TYR 28 HB2 TYR 28 59.137 1.490 2.474 199 2HB TYR 28 HB1 TYR 28 58.788 0.163 3.583 200 HD1 TYR 28 HD1 TYR 28 59.266 3.778 3.248 201 HD2 TYR 28 HD2 TYR 28 58.671 0.555 6.024 202 HE1 TYR 28 HE1 TYR 28 58.683 5.412 5.019 203 HE2 TYR 28 HE2 TYR 28 58.088 2.189 7.796 204 HH TYR 28 HH TYR 28 58.788 5.378 7.656 205 H PHE 29 HN PHE 29 61.540 2.338 1.652 206 HA PHE 29 HA PHE 29 62.570 4.415 3.500 207 1HB PHE 29 HB2 PHE 29 64.614 4.556 1.863 208 2HB PHE 29 HB1 PHE 29 64.624 3.347 3.146 209 HD1 PHE 29 HD1 PHE 29 63.600 1.014 2.552 210 HD2 PHE 29 HD2 PHE 29 64.902 3.886 -0.364 211 HE1 PHE 29 HE1 PHE 29 63.773 -0.787 0.856 212 HE2 PHE 29 HE2 PHE 29 65.075 2.085 -2.061 213 HZ PHE 29 HZ PHE 29 64.510 -0.251 -1.451 214 H GLU 30 HN GLU 30 63.265 6.399 2.094 215 HA GLU 30 HA GLU 30 61.114 6.796 0.084 216 1HB GLU 30 HB2 GLU 30 62.986 8.894 1.202 217 2HB GLU 30 HB1 GLU 30 61.423 9.143 0.422 218 1HG GLU 30 HG2 GLU 30 60.290 8.771 2.344 219 2HG GLU 30 HG1 GLU 30 61.258 7.348 2.729 220 H THR 31 HN THR 31 61.574 7.201 -2.067 221 HA THR 31 HA THR 31 64.204 6.484 -3.049 222 HB THR 31 HB THR 31 63.242 7.128 -5.276 223 HG1 THR 31 HG1 THR 31 61.562 8.359 -5.293 224 1HG2 THR 31 HG21 THR 31 62.914 4.866 -4.280 225 2HG2 THR 31 HG22 THR 31 61.573 5.351 -5.318 226 3HG2 THR 31 HG23 THR 31 61.404 5.431 -3.565 227 H ASN 32 HN ASN 32 64.979 8.173 -4.954 228 HA ASN 32 HA ASN 32 66.015 10.442 -3.484 229 1HB ASN 32 HB2 ASN 32 66.598 9.108 -5.925 230 2HB ASN 32 HB1 ASN 32 66.281 10.796 -6.325 231 1HD2 ASN 32 HD21 ASN 32 67.670 9.565 -3.260 232 2HD2 ASN 32 HD22 ASN 32 69.162 10.354 -3.437 233 H SER 33 HN SER 33 64.681 12.116 -2.971 234 HA SER 33 HA SER 33 62.284 12.756 -4.429 235 1HB SER 33 HB2 SER 33 62.217 13.494 -2.215 236 2HB SER 33 HB1 SER 33 63.877 14.083 -2.255 237 HG SER 33 HG SER 33 61.521 15.239 -3.267 238 H GLU 34 HN GLU 34 65.546 13.351 -5.111 239 HA GLU 34 HA GLU 34 65.306 15.945 -6.361 240 1HB GLU 34 HB2 GLU 34 67.323 13.717 -6.447 241 2HB GLU 34 HB1 GLU 34 67.436 15.043 -7.605 242 1HG GLU 34 HG2 GLU 34 68.735 15.846 -5.836 243 2HG GLU 34 HG1 GLU 34 67.162 16.562 -5.483 244 H CYS 35 HN CYS 35 64.564 12.690 -7.355 245 HA CYS 35 HA CYS 35 64.587 13.186 -10.204 246 1HB CYS 35 HB2 CYS 35 63.729 11.019 -8.391 247 2HB CYS 35 HB1 CYS 35 62.794 11.141 -9.881 248 H SER 36 HN SER 36 62.494 13.065 -11.510 249 HA SER 36 HA SER 36 60.673 15.129 -10.521 250 1HB SER 36 HB2 SER 36 60.992 13.599 -13.083 251 2HB SER 36 HB1 SER 36 59.482 14.453 -12.774 252 HG SER 36 HG SER 36 60.536 16.341 -12.774 253 H LYS 37 HN LYS 37 60.717 11.650 -10.705 254 HA LYS 37 HA LYS 37 57.894 11.625 -9.711 255 1HB LYS 37 HB2 LYS 37 59.343 9.868 -11.647 256 2HB LYS 37 HB1 LYS 37 58.151 9.114 -10.587 257 1HG LYS 37 HG2 LYS 37 57.092 11.585 -11.633 258 2HG LYS 37 HG1 LYS 37 57.651 10.566 -12.961 259 1HD LYS 37 HD2 LYS 37 55.427 9.852 -12.601 260 2HD LYS 37 HD1 LYS 37 56.400 8.649 -11.752 261 1HE LYS 37 HE2 LYS 37 55.049 9.121 -9.985 262 2HE LYS 37 HE1 LYS 37 56.070 10.548 -9.805 263 1HZ LYS 37 HZ1 LYS 37 53.388 10.316 -10.971 264 2HZ LYS 37 HZ2 LYS 37 54.432 11.519 -11.561 265 3HZ LYS 37 HZ3 LYS 37 54.006 11.491 -9.916 266 HA PRO 38 HA PRO 38 60.509 10.009 -6.331 267 1HB PRO 38 HB2 PRO 38 59.097 11.304 -4.360 268 2HB PRO 38 HB1 PRO 38 60.449 12.037 -5.239 269 1HG PRO 38 HG2 PRO 38 57.526 12.558 -5.519 270 2HG PRO 38 HG1 PRO 38 58.894 13.629 -5.863 271 1HD PRO 38 HD2 PRO 38 57.386 12.200 -7.785 272 2HD PRO 38 HD1 PRO 38 58.946 13.002 -8.068 273 H GLY 39 HN GLY 39 59.734 8.719 -4.366 274 1HA GLY 39 HA2 GLY 39 57.066 7.953 -3.946 275 2HA GLY 39 HA1 GLY 39 57.759 6.831 -5.113 276 H VAL 40 HN VAL 40 57.027 5.682 -2.800 277 HA VAL 40 HA VAL 40 59.517 5.511 -1.159 278 HB VAL 40 HB VAL 40 56.744 4.517 -0.448 279 1HG1 VAL 40 HG11 VAL 40 59.255 5.004 1.183 280 2HG1 VAL 40 HG12 VAL 40 58.579 3.429 0.766 281 3HG1 VAL 40 HG13 VAL 40 57.698 4.510 1.846 282 1HG2 VAL 40 HG21 VAL 40 57.423 6.718 1.156 283 2HG2 VAL 40 HG22 VAL 40 56.210 6.688 -0.123 284 3HG2 VAL 40 HG23 VAL 40 57.857 7.204 -0.483 285 H ILE 41 HN ILE 41 60.563 3.536 -0.982 286 HA ILE 41 HA ILE 41 59.528 1.365 -2.742 287 HB ILE 41 HB ILE 41 62.292 1.880 -1.604 288 1HG1 ILE 41 HG12 ILE 41 61.103 2.068 -4.389 289 2HG1 ILE 41 HG11 ILE 41 61.743 3.395 -3.419 290 1HG2 ILE 41 HG21 ILE 41 62.040 -0.493 -1.746 291 2HG2 ILE 41 HG22 ILE 41 62.898 -0.013 -3.210 292 3HG2 ILE 41 HG23 ILE 41 61.174 -0.379 -3.279 293 1HD1 ILE 41 HD11 ILE 41 63.674 3.014 -4.557 294 2HD1 ILE 41 HD12 ILE 41 63.176 1.394 -5.043 295 3HD1 ILE 41 HD13 ILE 41 63.868 1.661 -3.443 296 H PHE 42 HN PHE 42 58.669 -0.409 -1.782 297 HA PHE 42 HA PHE 42 59.108 -0.768 1.141 298 1HB PHE 42 HB2 PHE 42 56.938 -1.514 -0.778 299 2HB PHE 42 HB1 PHE 42 57.186 -2.546 0.630 300 HD1 PHE 42 HD1 PHE 42 54.916 -1.850 1.445 301 HD2 PHE 42 HD2 PHE 42 58.123 0.960 0.925 302 HE1 PHE 42 HE1 PHE 42 53.711 -0.211 2.862 303 HE2 PHE 42 HE2 PHE 42 56.917 2.599 2.342 304 HZ PHE 42 HZ PHE 42 54.711 2.013 3.311 305 H LEU 43 HN LEU 43 60.327 -2.457 1.862 306 HA LEU 43 HA LEU 43 61.242 -4.448 -0.160 307 1HB LEU 43 HB2 LEU 43 62.893 -3.026 1.215 308 2HB LEU 43 HB1 LEU 43 62.418 -4.023 2.590 309 HG LEU 43 HG LEU 43 62.888 -5.880 0.573 310 1HD1 LEU 43 HD11 LEU 43 63.929 -3.920 -0.689 311 2HD1 LEU 43 HD12 LEU 43 64.977 -5.318 -0.451 312 3HD1 LEU 43 HD13 LEU 43 65.168 -3.890 0.566 313 1HD2 LEU 43 HD21 LEU 43 64.570 -4.844 2.866 314 2HD2 LEU 43 HD22 LEU 43 65.052 -6.242 1.906 315 3HD2 LEU 43 HD23 LEU 43 63.551 -6.283 2.830 316 H THR 44 HN THR 44 61.056 -6.684 0.291 317 HA THR 44 HA THR 44 58.988 -7.338 2.312 318 HB THR 44 HB THR 44 58.776 -9.455 1.153 319 HG1 THR 44 HG1 THR 44 60.228 -9.772 -0.688 320 1HG2 THR 44 HG21 THR 44 59.006 -6.997 -0.568 321 2HG2 THR 44 HG22 THR 44 57.553 -7.832 -0.017 322 3HG2 THR 44 HG23 THR 44 58.555 -8.546 -1.280 323 H LYS 45 HN LYS 45 59.363 -9.417 3.578 324 HA LYS 45 HA LYS 45 61.933 -9.233 4.938 325 1HB LYS 45 HB2 LYS 45 59.780 -9.773 6.106 326 2HB LYS 45 HB1 LYS 45 59.760 -11.323 5.263 327 1HG LYS 45 HG2 LYS 45 62.337 -11.144 6.342 328 2HG LYS 45 HG1 LYS 45 61.278 -10.534 7.614 329 1HD LYS 45 HD2 LYS 45 59.882 -12.550 7.441 330 2HD LYS 45 HD1 LYS 45 60.909 -13.160 6.143 331 1HE LYS 45 HE2 LYS 45 62.301 -12.376 8.645 332 2HE LYS 45 HE1 LYS 45 61.285 -13.814 8.741 333 1HZ LYS 45 HZ1 LYS 45 62.970 -14.897 7.817 334 2HZ LYS 45 HZ2 LYS 45 63.803 -13.462 7.451 335 3HZ LYS 45 HZ3 LYS 45 62.636 -14.068 6.376 336 H LYS 46 HN LYS 46 60.950 -10.764 2.124 337 HA LYS 46 HA LYS 46 62.712 -13.114 2.476 338 1HB LYS 46 HB2 LYS 46 60.730 -12.228 0.401 339 2HB LYS 46 HB1 LYS 46 61.953 -13.427 -0.023 340 1HG LYS 46 HG2 LYS 46 60.519 -13.869 2.541 341 2HG LYS 46 HG1 LYS 46 59.572 -14.092 1.070 342 1HD LYS 46 HD2 LYS 46 62.153 -15.305 0.710 343 2HD LYS 46 HD1 LYS 46 61.444 -15.896 2.213 344 1HE LYS 46 HE2 LYS 46 59.390 -15.794 0.216 345 2HE LYS 46 HE1 LYS 46 60.776 -16.659 -0.447 346 1HZ LYS 46 HZ1 LYS 46 59.027 -17.923 0.954 347 2HZ LYS 46 HZ2 LYS 46 59.854 -17.258 2.281 348 3HZ LYS 46 HZ3 LYS 46 60.675 -18.257 1.179 349 H GLY 47 HN GLY 47 62.357 -10.782 -0.193 350 1HA GLY 47 HA2 GLY 47 64.868 -9.600 -0.112 351 2HA GLY 47 HA1 GLY 47 65.077 -11.096 -1.014 352 H ARG 48 HN ARG 48 62.324 -8.835 -0.953 353 HA ARG 48 HA ARG 48 62.830 -8.297 -3.846 354 1HB ARG 48 HB2 ARG 48 60.610 -9.742 -2.681 355 2HB ARG 48 HB1 ARG 48 60.033 -8.275 -3.473 356 1HG ARG 48 HG2 ARG 48 61.796 -9.128 -5.337 357 2HG ARG 48 HG1 ARG 48 61.318 -10.680 -4.650 358 1HD ARG 48 HD2 ARG 48 59.712 -10.352 -6.330 359 2HD ARG 48 HD1 ARG 48 58.886 -9.763 -4.888 360 HE ARG 48 HE ARG 48 59.126 -7.523 -5.707 361 1HH1 ARG 48 HH11 ARG 48 58.672 -9.224 -8.284 362 2HH1 ARG 48 HH12 ARG 48 59.809 -8.462 -9.345 363 1HH2 ARG 48 HH21 ARG 48 61.485 -6.813 -6.796 364 2HH2 ARG 48 HH22 ARG 48 61.403 -7.097 -8.503 365 H ARG 49 HN ARG 49 61.538 -6.339 -4.584 366 HA ARG 49 HA ARG 49 60.684 -4.495 -2.457 367 1HB ARG 49 HB2 ARG 49 62.288 -2.725 -3.157 368 2HB ARG 49 HB1 ARG 49 63.108 -4.127 -2.470 369 1HG ARG 49 HG2 ARG 49 64.209 -4.518 -4.396 370 2HG ARG 49 HG1 ARG 49 62.712 -4.458 -5.327 371 1HD ARG 49 HD2 ARG 49 63.081 -1.810 -4.696 372 2HD ARG 49 HD1 ARG 49 64.742 -2.366 -4.904 373 HE ARG 49 HE ARG 49 63.173 -3.342 -7.080 374 1HH1 ARG 49 HH21 ARG 49 65.565 -1.182 -6.333 375 2HH1 ARG 49 HH22 ARG 49 65.195 -0.036 -7.577 376 1HH2 ARG 49 HH11 ARG 49 62.194 -1.543 -8.441 377 2HH2 ARG 49 HH12 ARG 49 63.286 -0.240 -8.771 378 H PHE 50 HN PHE 50 59.482 -2.706 -3.320 379 HA PHE 50 HA PHE 50 59.180 -2.505 -6.244 380 1HB PHE 50 HB2 PHE 50 56.564 -2.638 -5.740 381 2HB PHE 50 HB1 PHE 50 57.498 -4.087 -6.109 382 HD1 PHE 50 HD1 PHE 50 57.643 -5.851 -4.553 383 HD2 PHE 50 HD2 PHE 50 56.300 -1.981 -3.261 384 HE1 PHE 50 HE1 PHE 50 57.063 -6.793 -2.333 385 HE2 PHE 50 HE2 PHE 50 55.720 -2.923 -1.042 386 HZ PHE 50 HZ PHE 50 56.101 -5.329 -0.578 387 H CYS 51 HN CYS 51 58.142 -0.524 -6.866 388 HA CYS 51 HA CYS 51 58.499 1.639 -4.993 389 1HB CYS 51 HB2 CYS 51 57.201 1.493 -7.726 390 2HB CYS 51 HB1 CYS 51 57.434 2.992 -6.835 391 H ALA 52 HN ALA 52 56.926 2.818 -3.873 392 HA ALA 52 HA ALA 52 54.143 1.721 -3.986 393 1HB ALA 52 HB1 ALA 52 54.707 2.919 -1.433 394 2HB ALA 52 HB2 ALA 52 55.952 1.723 -1.792 395 3HB ALA 52 HB3 ALA 52 54.252 1.252 -1.786 396 H ASN 53 HN ASN 53 52.463 3.284 -3.742 397 HA ASN 53 HA ASN 53 53.274 6.007 -4.504 398 1HB ASN 53 HB2 ASN 53 51.285 4.653 -5.468 399 2HB ASN 53 HB1 ASN 53 50.448 5.097 -3.981 400 1HD2 ASN 53 HD21 ASN 53 49.096 6.836 -4.469 401 2HD2 ASN 53 HD22 ASN 53 49.548 8.190 -5.389 402 HA PRO 54 HA PRO 54 53.019 7.422 -0.315 403 1HB PRO 54 HB2 PRO 54 53.220 10.105 -0.884 404 2HB PRO 54 HB1 PRO 54 54.602 8.996 -0.882 405 1HG PRO 54 HG2 PRO 54 53.153 10.186 -3.204 406 2HG PRO 54 HG1 PRO 54 54.836 9.646 -3.088 407 1HD PRO 54 HD2 PRO 54 52.734 8.215 -4.313 408 2HD PRO 54 HD1 PRO 54 54.316 7.547 -3.858 409 H SER 55 HN SER 55 50.698 7.871 -2.723 410 HA SER 55 HA SER 55 48.922 9.489 -0.968 411 1HB SER 55 HB2 SER 55 48.415 8.552 -3.804 412 2HB SER 55 HB1 SER 55 47.513 9.772 -2.913 413 HG SER 55 HG SER 55 50.264 10.128 -3.131 414 H ASP 56 HN ASP 56 49.675 6.287 -1.507 415 HA ASP 56 HA ASP 56 46.954 5.207 -1.401 416 1HB ASP 56 HB2 ASP 56 48.773 3.958 -2.515 417 2HB ASP 56 HB1 ASP 56 49.634 3.849 -0.980 418 H LYS 57 HN LYS 57 45.834 5.461 0.474 419 HA LYS 57 HA LYS 57 46.786 6.127 2.996 420 1HB LYS 57 HB2 LYS 57 44.724 4.833 3.860 421 2HB LYS 57 HB1 LYS 57 44.433 6.138 2.709 422 1HG LYS 57 HG2 LYS 57 44.231 4.576 0.879 423 2HG LYS 57 HG1 LYS 57 44.751 3.236 1.902 424 1HD LYS 57 HD2 LYS 57 42.556 2.873 2.300 425 2HD LYS 57 HD1 LYS 57 42.614 4.321 3.306 426 1HE LYS 57 HE2 LYS 57 42.219 5.622 1.102 427 2HE LYS 57 HE1 LYS 57 41.726 4.065 0.435 428 1HZ LYS 57 HZ1 LYS 57 40.102 3.863 2.218 429 2HZ LYS 57 HZ2 LYS 57 39.834 5.272 1.307 430 3HZ LYS 57 HZ3 LYS 57 40.567 5.373 2.836 431 H GLN 58 HN GLN 58 46.586 2.883 1.567 432 HA GLN 58 HA GLN 58 47.276 1.420 3.919 433 1HB GLN 58 HB2 GLN 58 46.958 0.880 1.107 434 2HB GLN 58 HB1 GLN 58 48.430 0.102 1.690 435 1HG GLN 58 HG2 GLN 58 47.111 -0.866 3.583 436 2HG GLN 58 HG1 GLN 58 45.650 -0.186 2.866 437 1HE2 GLN 58 HE21 GLN 58 45.075 -2.634 2.787 438 2HE2 GLN 58 HE22 GLN 58 45.573 -3.495 1.411 439 H VAL 59 HN VAL 59 49.221 3.240 1.633 440 HA VAL 59 HA VAL 59 51.759 2.135 2.521 441 HB VAL 59 HB VAL 59 51.098 4.687 1.021 442 1HG1 VAL 59 HG11 VAL 59 53.792 3.354 1.060 443 2HG1 VAL 59 HG12 VAL 59 53.352 4.467 2.355 444 3HG1 VAL 59 HG13 VAL 59 53.386 5.028 0.684 445 1HG2 VAL 59 HG21 VAL 59 50.631 2.308 0.043 446 2HG2 VAL 59 HG22 VAL 59 52.387 2.200 -0.090 447 3HG2 VAL 59 HG23 VAL 59 51.514 3.470 -0.948 448 H GLN 60 HN GLN 60 49.945 5.126 3.217 449 HA GLN 60 HA GLN 60 51.879 6.225 5.020 450 1HB GLN 60 HB2 GLN 60 48.867 6.602 5.006 451 2HB GLN 60 HB1 GLN 60 50.037 7.652 5.806 452 1HG GLN 60 HG2 GLN 60 50.884 7.332 3.104 453 2HG GLN 60 HG1 GLN 60 49.165 7.726 3.079 454 1HE2 GLN 60 HE21 GLN 60 50.608 9.748 2.080 455 2HE2 GLN 60 HE22 GLN 60 50.846 10.999 3.203 456 H VAL 61 HN VAL 61 49.293 3.869 5.432 457 HA VAL 61 HA VAL 61 49.413 3.888 8.338 458 HB VAL 61 HB VAL 61 48.253 1.922 6.345 459 1HG1 VAL 61 HG11 VAL 61 48.815 0.664 8.326 460 2HG1 VAL 61 HG12 VAL 61 47.083 0.990 8.384 461 3HG1 VAL 61 HG13 VAL 61 48.192 1.938 9.375 462 1HG2 VAL 61 HG21 VAL 61 46.348 3.148 6.501 463 2HG2 VAL 61 HG22 VAL 61 47.379 4.418 7.159 464 3HG2 VAL 61 HG23 VAL 61 46.513 3.333 8.247 465 H CYS 62 HN CYS 62 51.061 2.154 5.762 466 HA CYS 62 HA CYS 62 52.209 0.159 7.561 467 1HB CYS 62 HB2 CYS 62 52.399 0.832 4.669 468 2HB CYS 62 HB1 CYS 62 53.787 0.009 5.380 469 H MET 63 HN MET 63 53.313 3.187 6.051 470 HA MET 63 HA MET 63 56.034 3.028 6.870 471 1HB MET 63 HB2 MET 63 55.965 5.551 6.717 472 2HB MET 63 HB1 MET 63 55.371 4.717 5.280 473 1HG MET 63 HG2 MET 63 53.087 5.099 5.892 474 2HG MET 63 HG1 MET 63 53.544 5.645 7.506 475 1HE MET 63 HE1 MET 63 54.454 7.351 8.199 476 2HE MET 63 HE2 MET 63 53.519 8.763 7.712 477 3HE MET 63 HE3 MET 63 55.243 8.692 7.357 478 H ARG 64 HN ARG 64 53.144 4.163 8.580 479 HA ARG 64 HA ARG 64 54.634 5.148 10.873 480 1HB ARG 64 HB2 ARG 64 51.727 4.572 10.320 481 2HB ARG 64 HB1 ARG 64 52.271 4.967 11.951 482 1HG ARG 64 HG2 ARG 64 53.215 7.077 11.170 483 2HG ARG 64 HG1 ARG 64 52.804 6.674 9.503 484 1HD ARG 64 HD2 ARG 64 51.175 8.233 10.712 485 2HD ARG 64 HD1 ARG 64 50.463 6.817 9.940 486 HE ARG 64 HE ARG 64 50.033 5.895 12.105 487 1HH1 ARG 64 HH21 ARG 64 52.297 8.463 12.296 488 2HH1 ARG 64 HH22 ARG 64 51.928 8.854 13.943 489 1HH2 ARG 64 HH11 ARG 64 49.360 6.538 14.196 490 2HH2 ARG 64 HH12 ARG 64 50.265 7.765 15.018 491 H MET 65 HN MET 65 53.335 2.058 9.882 492 HA MET 65 HA MET 65 53.523 0.882 12.557 493 1HB MET 65 HB2 MET 65 51.876 0.005 10.971 494 2HB MET 65 HB1 MET 65 53.160 -0.393 9.828 495 1HG MET 65 HG2 MET 65 53.923 -2.179 11.091 496 2HG MET 65 HG1 MET 65 53.347 -1.487 12.607 497 1HE MET 65 HE1 MET 65 51.712 -4.564 12.845 498 2HE MET 65 HE2 MET 65 53.312 -4.051 12.314 499 3HE MET 65 HE3 MET 65 52.258 -4.919 11.200 500 H LEU 66 HN LEU 66 55.397 0.692 9.524 501 HA LEU 66 HA LEU 66 57.413 -1.049 10.680 502 1HB LEU 66 HB2 LEU 66 57.174 0.544 8.137 503 2HB LEU 66 HB1 LEU 66 58.720 -0.181 8.584 504 HG LEU 66 HG LEU 66 56.291 -1.907 8.755 505 1HD1 LEU 66 HD11 LEU 66 57.126 -0.537 6.331 506 2HD1 LEU 66 HD12 LEU 66 55.732 -1.584 6.594 507 3HD1 LEU 66 HD13 LEU 66 57.291 -2.285 6.162 508 1HD2 LEU 66 HD21 LEU 66 58.258 -3.015 9.384 509 2HD2 LEU 66 HD22 LEU 66 59.231 -2.181 8.172 510 3HD2 LEU 66 HD23 LEU 66 58.117 -3.458 7.683 511 H LYS 67 HN LYS 67 57.338 0.720 12.602 512 HA LYS 67 HA LYS 67 58.689 3.174 12.405 513 1HB LYS 67 HB2 LYS 67 59.161 2.961 14.774 514 2HB LYS 67 HB1 LYS 67 57.571 2.260 14.469 515 1HG LYS 67 HG2 LYS 67 58.428 0.032 14.563 516 2HG LYS 67 HG1 LYS 67 60.098 0.598 14.499 517 1HD LYS 67 HD2 LYS 67 59.532 -0.024 16.796 518 2HD LYS 67 HD1 LYS 67 59.771 1.721 16.696 519 1HE LYS 67 HE2 LYS 67 57.443 2.158 16.771 520 2HE LYS 67 HE1 LYS 67 57.034 0.484 16.397 521 1HZ LYS 67 HZ1 LYS 67 57.566 1.691 18.923 522 2HZ LYS 67 HZ2 LYS 67 58.569 0.345 18.659 523 3HZ LYS 67 HZ3 LYS 67 56.880 0.179 18.576 524 H LEU 68 HN LEU 68 60.876 3.767 12.420 525 HA LEU 68 HA LEU 68 62.750 1.646 11.578 526 1HB LEU 68 HB2 LEU 68 62.439 4.236 10.768 527 2HB LEU 68 HB1 LEU 68 63.757 4.405 11.928 528 HG LEU 68 HG LEU 68 64.440 2.118 10.508 529 1HD1 LEU 68 HD11 LEU 68 62.552 2.899 8.921 530 2HD1 LEU 68 HD12 LEU 68 64.119 2.532 8.200 531 3HD1 LEU 68 HD13 LEU 68 63.648 4.208 8.480 532 1HD2 LEU 68 HD21 LEU 68 65.845 4.119 9.254 533 2HD2 LEU 68 HD22 LEU 68 66.262 3.444 10.829 534 3HD2 LEU 68 HD23 LEU 68 65.313 4.927 10.728 535 H ASP 69 HN ASP 69 62.141 1.104 14.138 536 HA ASP 69 HA ASP 69 64.017 2.465 15.954 537 1HB ASP 69 HB2 ASP 69 61.710 1.605 16.632 538 2HB ASP 69 HB1 ASP 69 62.387 -0.020 16.525 539 H THR 70 HN THR 70 65.815 1.711 14.367 540 HA THR 70 HA THR 70 66.576 -1.046 14.257 541 HB THR 70 HB THR 70 68.946 0.124 13.932 542 HG1 THR 70 HG1 THR 70 68.660 2.171 14.372 543 1HG2 THR 70 HG21 THR 70 66.588 0.336 12.043 544 2HG2 THR 70 HG22 THR 70 67.753 -0.984 12.140 545 3HG2 THR 70 HG23 THR 70 68.264 0.602 11.563 546 H ARG 71 HN ARG 71 67.565 1.594 16.447 547 HA ARG 71 HA ARG 71 68.564 1.501 18.568 548 1HB ARG 71 HB2 ARG 71 67.210 -1.191 18.385 549 2HB ARG 71 HB1 ARG 71 68.160 -0.740 19.801 550 1HG ARG 71 HG2 ARG 71 66.205 1.284 18.858 551 2HG ARG 71 HG1 ARG 71 65.519 -0.183 19.557 552 1HD ARG 71 HD2 ARG 71 65.937 1.615 21.253 553 2HD ARG 71 HD1 ARG 71 66.809 0.121 21.594 554 HE ARG 71 HE ARG 71 68.820 1.273 20.526 555 1HH1 ARG 71 HH21 ARG 71 66.763 3.639 19.993 556 2HH1 ARG 71 HH22 ARG 71 67.400 4.800 21.110 557 1HH2 ARG 71 HH11 ARG 71 69.395 2.502 22.772 558 2HH2 ARG 71 HH12 ARG 71 68.891 4.156 22.682 559 H ILE 72 HN ILE 72 70.763 1.549 18.507 560 HA ILE 72 HA ILE 72 72.194 -0.872 17.502 561 HB ILE 72 HB ILE 72 73.375 1.876 17.968 562 1HG1 ILE 72 HG12 ILE 72 72.642 0.926 15.232 563 2HG1 ILE 72 HG11 ILE 72 71.343 1.545 16.252 564 1HG2 ILE 72 HG21 ILE 72 74.334 -0.011 15.879 565 2HG2 ILE 72 HG22 ILE 72 74.631 -0.480 17.553 566 3HG2 ILE 72 HG23 ILE 72 75.254 1.052 16.943 567 1HD1 ILE 72 HD11 ILE 72 72.262 3.682 16.361 568 2HD1 ILE 72 HD12 ILE 72 72.713 3.201 14.725 569 3HD1 ILE 72 HD13 ILE 72 73.896 3.106 16.030 570 H LYS 73 HN LYS 73 71.678 -1.817 19.703 571 HA LYS 73 HA LYS 73 72.805 -0.708 22.096 572 1HB LYS 73 HB2 LYS 73 71.155 -2.812 21.562 573 2HB LYS 73 HB1 LYS 73 72.665 -3.659 21.903 574 1HG LYS 73 HG2 LYS 73 72.867 -2.325 24.019 575 2HG LYS 73 HG1 LYS 73 71.266 -1.657 23.698 576 1HD LYS 73 HD2 LYS 73 71.140 -4.508 23.417 577 2HD LYS 73 HD1 LYS 73 71.899 -4.126 24.963 578 1HE LYS 73 HE2 LYS 73 69.946 -3.409 25.833 579 2HE LYS 73 HE1 LYS 73 69.635 -2.377 24.438 580 1HZ LYS 73 HZ1 LYS 73 69.155 -4.709 23.341 581 2HZ LYS 73 HZ2 LYS 73 67.955 -3.856 24.189 582 3HZ LYS 73 HZ3 LYS 73 68.792 -5.127 24.944 583 H THR 74 HN THR 74 73.975 -3.481 20.141 584 HA THR 74 HA THR 74 76.742 -2.538 20.459 585 HB THR 74 HB THR 74 77.472 -4.730 21.458 586 HG1 THR 74 HG1 THR 74 76.032 -6.201 21.836 587 1HG2 THR 74 HG21 THR 74 75.511 -3.102 23.098 588 2HG2 THR 74 HG22 THR 74 77.213 -2.713 22.849 589 3HG2 THR 74 HG23 THR 74 76.761 -4.161 23.750 590 H ARG 75 HN ARG 75 75.731 -5.888 19.968 591 HA ARG 75 HA ARG 75 75.940 -7.275 18.087 592 1HB ARG 75 HB2 ARG 75 75.600 -4.751 16.453 593 2HB ARG 75 HB1 ARG 75 75.152 -6.399 16.009 594 1HG ARG 75 HG2 ARG 75 73.868 -5.725 18.489 595 2HG ARG 75 HG1 ARG 75 73.539 -4.455 17.311 596 1HD ARG 75 HD2 ARG 75 73.239 -6.735 15.796 597 2HD ARG 75 HD1 ARG 75 72.609 -7.244 17.363 598 HE ARG 75 HE ARG 75 71.608 -4.763 16.028 599 1HH1 ARG 75 HH21 ARG 75 70.675 -5.674 18.780 600 2HH1 ARG 75 HH22 ARG 75 69.185 -6.463 18.385 601 1HH2 ARG 75 HH11 ARG 75 69.899 -6.698 15.000 602 2HH2 ARG 75 HH12 ARG 75 68.745 -7.044 16.245 603 H LYS 76 HN LYS 76 77.100 -6.664 15.548 604 HA LYS 76 HA LYS 76 79.616 -5.320 15.755 605 1HB LYS 76 HB2 LYS 76 80.001 -7.242 17.360 606 2HB LYS 76 HB1 LYS 76 79.833 -8.333 15.984 607 1HG LYS 76 HG2 LYS 76 81.629 -6.317 15.156 608 2HG LYS 76 HG1 LYS 76 82.130 -6.776 16.784 609 1HD LYS 76 HD2 LYS 76 82.636 -8.939 16.172 610 2HD LYS 76 HD1 LYS 76 81.420 -8.974 14.894 611 1HE LYS 76 HE2 LYS 76 82.974 -7.146 13.790 612 2HE LYS 76 HE1 LYS 76 84.205 -7.865 14.828 613 1HZ LYS 76 HZ1 LYS 76 83.947 -9.937 13.819 614 2HZ LYS 76 HZ2 LYS 76 83.915 -8.841 12.521 615 3HZ LYS 76 HZ3 LYS 76 82.469 -9.519 13.100 616 H ASN 77 HN ASN 77 79.103 -4.672 13.635 617 HA ASN 77 HA ASN 77 78.545 -6.697 11.581 618 1HB ASN 77 HB2 ASN 77 78.247 -4.842 10.084 619 2HB ASN 77 HB1 ASN 77 77.519 -4.369 11.620 620 1HD2 ASN 77 HD21 ASN 77 79.334 -3.060 9.236 621 2HD2 ASN 77 HD22 ASN 77 80.294 -1.984 10.132 Start of MODEL 23 1 1H MET 1 HT1 MET 1 49.924 4.830 -14.507 2 2H MET 1 HT2 MET 1 51.553 4.520 -14.138 3 3H MET 1 HT3 MET 1 50.427 4.764 -12.889 4 HA MET 1 HA MET 1 49.452 2.684 -14.460 5 1HB MET 1 HB2 MET 1 52.186 2.810 -14.803 6 2HB MET 1 HB1 MET 1 52.029 1.707 -13.436 7 1HG MET 1 HG2 MET 1 50.800 0.147 -14.661 8 2HG MET 1 HG1 MET 1 50.252 1.348 -15.830 9 1HE MET 1 HE1 MET 1 54.642 0.057 -15.460 10 2HE MET 1 HE2 MET 1 53.372 -0.784 -14.576 11 3HE MET 1 HE3 MET 1 53.660 0.927 -14.273 12 H ASP 2 HN ASP 2 48.094 1.963 -12.897 13 HA ASP 2 HA ASP 2 48.842 2.212 -10.059 14 1HB ASP 2 HB2 ASP 2 46.506 2.672 -11.063 15 2HB ASP 2 HB1 ASP 2 46.331 0.918 -11.127 16 H ARG 3 HN ARG 3 49.012 0.410 -8.629 17 HA ARG 3 HA ARG 3 49.879 -2.079 -9.979 18 1HB ARG 3 HB2 ARG 3 51.324 -1.099 -8.223 19 2HB ARG 3 HB1 ARG 3 50.012 -1.272 -7.057 20 1HG ARG 3 HG2 ARG 3 50.942 -3.297 -6.618 21 2HG ARG 3 HG1 ARG 3 50.152 -3.802 -8.112 22 1HD ARG 3 HD2 ARG 3 52.146 -3.395 -9.397 23 2HD ARG 3 HD1 ARG 3 52.933 -2.608 -8.029 24 HE ARG 3 HE ARG 3 52.146 -5.441 -7.678 25 1HH1 ARG 3 HH11 ARG 3 54.512 -4.293 -9.564 26 2HH1 ARG 3 HH12 ARG 3 55.853 -4.760 -8.572 27 1HH2 ARG 3 HH21 ARG 3 53.890 -5.513 -5.814 28 2HH2 ARG 3 HH22 ARG 3 55.501 -5.452 -6.449 29 H PHE 4 HN PHE 4 48.889 -4.095 -9.583 30 HA PHE 4 HA PHE 4 46.532 -4.176 -7.795 31 1HB PHE 4 HB2 PHE 4 46.435 -4.256 -10.769 32 2HB PHE 4 HB1 PHE 4 45.426 -5.422 -9.915 33 HD1 PHE 4 HD1 PHE 4 44.682 -3.973 -7.475 34 HD2 PHE 4 HD2 PHE 4 44.976 -2.570 -11.525 35 HE1 PHE 4 HE1 PHE 4 43.037 -2.187 -6.976 36 HE2 PHE 4 HE2 PHE 4 43.330 -0.783 -11.025 37 HZ PHE 4 HZ PHE 4 42.360 -0.592 -8.750 38 H HIS 5 HN HIS 5 47.316 -6.370 -10.463 39 HA HIS 5 HA HIS 5 48.141 -8.392 -8.415 40 1HB HIS 5 HB2 HIS 5 45.917 -8.534 -10.035 41 2HB HIS 5 HB1 HIS 5 47.112 -9.434 -10.969 42 HD1 HIS 5 HD1 HIS 5 44.576 -10.298 -8.860 43 HD2 HIS 5 HD2 HIS 5 48.671 -11.039 -8.608 44 HE1 HIS 5 HE1 HIS 5 44.850 -12.296 -7.328 45 H ALA 6 HN ALA 6 50.368 -7.658 -8.810 46 HA ALA 6 HA ALA 6 51.519 -9.014 -11.185 47 1HB ALA 6 HB1 ALA 6 53.078 -6.899 -11.332 48 2HB ALA 6 HB2 ALA 6 51.723 -6.085 -10.550 49 3HB ALA 6 HB3 ALA 6 51.496 -6.871 -12.112 50 H THR 7 HN THR 7 53.609 -9.814 -10.792 51 HA THR 7 HA THR 7 55.074 -9.010 -8.383 52 HB THR 7 HB THR 7 54.817 -11.878 -8.242 53 HG1 THR 7 HG1 THR 7 52.781 -12.075 -8.633 54 1HG2 THR 7 HG21 THR 7 55.206 -9.747 -6.548 55 2HG2 THR 7 HG22 THR 7 54.877 -11.400 -6.027 56 3HG2 THR 7 HG23 THR 7 53.558 -10.235 -6.154 57 H SER 8 HN SER 8 55.649 -8.999 -11.204 58 HA SER 8 HA SER 8 57.185 -11.239 -12.059 59 1HB SER 8 HB2 SER 8 56.433 -9.235 -13.456 60 2HB SER 8 HB1 SER 8 57.790 -8.357 -12.756 61 HG SER 8 HG SER 8 58.907 -9.285 -14.271 62 H ALA 9 HN ALA 9 59.671 -11.039 -12.391 63 HA ALA 9 HA ALA 9 60.889 -10.824 -9.774 64 1HB ALA 9 HB1 ALA 9 63.011 -10.938 -11.481 65 2HB ALA 9 HB2 ALA 9 61.736 -11.607 -12.500 66 3HB ALA 9 HB3 ALA 9 62.109 -12.355 -10.947 67 H ASP 10 HN ASP 10 62.333 -9.225 -9.022 68 HA ASP 10 HA ASP 10 62.500 -6.760 -10.702 69 1HB ASP 10 HB2 ASP 10 62.682 -5.762 -8.198 70 2HB ASP 10 HB1 ASP 10 61.149 -5.916 -9.052 71 H CYS 11 HN CYS 11 64.564 -8.272 -11.148 72 HA CYS 11 HA CYS 11 66.646 -8.238 -9.145 73 1HB CYS 11 HB2 CYS 11 66.520 -8.812 -12.089 74 2HB CYS 11 HB1 CYS 11 68.094 -8.579 -11.329 75 H CYS 12 HN CYS 12 68.347 -6.761 -8.894 76 HA CYS 12 HA CYS 12 67.844 -4.081 -10.014 77 1HB CYS 12 HB2 CYS 12 69.666 -5.184 -7.883 78 2HB CYS 12 HB1 CYS 12 69.905 -3.555 -8.515 79 H ILE 13 HN ILE 13 68.683 -3.676 -12.003 80 HA ILE 13 HA ILE 13 71.241 -4.985 -12.775 81 HB ILE 13 HB ILE 13 69.256 -5.087 -14.324 82 1HG1 ILE 13 HG12 ILE 13 70.814 -3.720 -16.181 83 2HG1 ILE 13 HG11 ILE 13 71.972 -4.180 -14.932 84 1HG2 ILE 13 HG21 ILE 13 68.943 -2.443 -13.640 85 2HG2 ILE 13 HG22 ILE 13 68.187 -3.211 -15.037 86 3HG2 ILE 13 HG23 ILE 13 69.695 -2.317 -15.230 87 1HD1 ILE 13 HD11 ILE 13 71.439 -5.867 -16.870 88 2HD1 ILE 13 HD12 ILE 13 69.983 -6.199 -15.931 89 3HD1 ILE 13 HD13 ILE 13 71.573 -6.465 -15.216 90 H SER 14 HN SER 14 69.963 -2.007 -11.684 91 HA SER 14 HA SER 14 72.613 -0.748 -11.959 92 1HB SER 14 HB2 SER 14 70.393 1.013 -12.827 93 2HB SER 14 HB1 SER 14 72.049 0.920 -13.416 94 HG SER 14 HG SER 14 69.775 -0.387 -14.257 95 H TYR 15 HN TYR 15 72.818 1.115 -10.529 96 HA TYR 15 HA TYR 15 70.728 1.111 -8.393 97 1HB TYR 15 HB2 TYR 15 73.674 1.820 -8.291 98 2HB TYR 15 HB1 TYR 15 72.559 2.025 -6.939 99 HD1 TYR 15 HD1 TYR 15 74.908 -0.151 -8.343 100 HD2 TYR 15 HD2 TYR 15 71.031 -0.161 -6.493 101 HE1 TYR 15 HE1 TYR 15 75.206 -2.536 -7.732 102 HE2 TYR 15 HE2 TYR 15 71.329 -2.546 -5.882 103 HH TYR 15 HH TYR 15 73.103 -4.558 -7.143 104 H THR 16 HN THR 16 69.818 3.070 -7.757 105 HA THR 16 HA THR 16 69.954 5.258 -9.648 106 HB THR 16 HB THR 16 67.925 4.624 -8.272 107 HG1 THR 16 HG1 THR 16 67.510 6.914 -7.747 108 1HG2 THR 16 HG21 THR 16 69.277 6.175 -6.065 109 2HG2 THR 16 HG22 THR 16 69.369 4.416 -6.152 110 3HG2 THR 16 HG23 THR 16 67.804 5.210 -5.979 111 HA PRO 17 HA PRO 17 73.473 7.095 -7.577 112 1HB PRO 17 HB2 PRO 17 73.835 9.080 -9.445 113 2HB PRO 17 HB1 PRO 17 74.406 7.416 -9.661 114 1HG PRO 17 HG2 PRO 17 72.081 8.783 -10.934 115 2HG PRO 17 HG1 PRO 17 73.051 7.427 -11.533 116 1HD PRO 17 HD2 PRO 17 70.484 7.236 -10.354 117 2HD PRO 17 HD1 PRO 17 71.600 5.886 -10.653 118 H ARG 18 HN ARG 18 71.540 7.735 -6.020 119 HA ARG 18 HA ARG 18 71.623 10.649 -5.746 120 1HB ARG 18 HB2 ARG 18 69.167 9.196 -6.647 121 2HB ARG 18 HB1 ARG 18 68.973 10.528 -5.507 122 1HG ARG 18 HG2 ARG 18 70.389 11.936 -7.072 123 2HG ARG 18 HG1 ARG 18 70.260 10.626 -8.245 124 1HD ARG 18 HD2 ARG 18 68.450 11.945 -8.870 125 2HD ARG 18 HD1 ARG 18 67.676 10.839 -7.735 126 HE ARG 18 HE ARG 18 67.994 12.679 -6.005 127 1HH1 ARG 18 HH21 ARG 18 69.587 14.325 -8.106 128 2HH1 ARG 18 HH22 ARG 18 68.406 15.527 -8.507 129 1HH2 ARG 18 HH11 ARG 18 65.768 13.796 -7.069 130 2HH2 ARG 18 HH12 ARG 18 66.244 15.227 -7.920 131 H SER 19 HN SER 19 71.607 11.135 -3.589 132 HA SER 19 HA SER 19 71.066 8.913 -1.700 133 1HB SER 19 HB2 SER 19 72.334 11.639 -1.307 134 2HB SER 19 HB1 SER 19 72.110 10.454 -0.023 135 HG SER 19 HG SER 19 73.958 9.716 -0.702 136 H ILE 20 HN ILE 20 68.805 8.866 -1.543 137 HA ILE 20 HA ILE 20 67.431 11.405 -0.828 138 HB ILE 20 HB ILE 20 66.362 8.681 -1.623 139 1HG1 ILE 20 HG12 ILE 20 65.465 10.155 -3.548 140 2HG1 ILE 20 HG11 ILE 20 66.638 11.354 -3.003 141 1HG2 ILE 20 HG21 ILE 20 64.739 11.200 -1.274 142 2HG2 ILE 20 HG22 ILE 20 64.991 10.083 0.067 143 3HG2 ILE 20 HG23 ILE 20 64.170 9.535 -1.395 144 1HD1 ILE 20 HD11 ILE 20 68.470 9.997 -3.535 145 2HD1 ILE 20 HD12 ILE 20 67.346 9.629 -4.843 146 3HD1 ILE 20 HD13 ILE 20 67.512 8.517 -3.484 147 HA PRO 21 HA PRO 21 67.286 10.090 3.384 148 1HB PRO 21 HB2 PRO 21 65.399 11.899 4.237 149 2HB PRO 21 HB1 PRO 21 67.092 12.322 3.926 150 1HG PRO 21 HG2 PRO 21 64.675 12.925 2.286 151 2HG PRO 21 HG1 PRO 21 66.211 13.801 2.385 152 1HD PRO 21 HD2 PRO 21 65.438 12.039 0.309 153 2HD PRO 21 HD1 PRO 21 67.077 12.661 0.595 154 H CYS 22 HN CYS 22 65.859 8.917 4.807 155 HA CYS 22 HA CYS 22 63.898 7.279 3.593 156 1HB CYS 22 HB2 CYS 22 64.821 7.831 6.333 157 2HB CYS 22 HB1 CYS 22 63.137 7.317 6.240 158 H SER 23 HN SER 23 63.616 10.440 5.115 159 HA SER 23 HA SER 23 60.880 10.632 5.607 160 1HB SER 23 HB2 SER 23 62.924 12.429 5.552 161 2HB SER 23 HB1 SER 23 62.021 12.930 4.125 162 HG SER 23 HG SER 23 60.144 12.642 5.724 163 H LEU 24 HN LEU 24 62.519 10.440 2.520 164 HA LEU 24 HA LEU 24 59.941 10.934 1.109 165 1HB LEU 24 HB2 LEU 24 62.797 10.777 0.100 166 2HB LEU 24 HB1 LEU 24 61.390 10.983 -0.945 167 HG LEU 24 HG LEU 24 61.835 12.842 1.380 168 1HD1 LEU 24 HD11 LEU 24 63.238 12.801 -1.278 169 2HD1 LEU 24 HD12 LEU 24 63.888 13.183 0.316 170 3HD1 LEU 24 HD13 LEU 24 62.856 14.346 -0.517 171 1HD2 LEU 24 HD21 LEU 24 60.685 14.369 -0.375 172 2HD2 LEU 24 HD22 LEU 24 59.705 13.117 0.387 173 3HD2 LEU 24 HD23 LEU 24 60.336 12.873 -1.241 174 H LEU 25 HN LEU 25 60.859 8.424 2.614 175 HA LEU 25 HA LEU 25 60.410 6.535 0.338 176 1HB LEU 25 HB2 LEU 25 62.278 6.308 2.701 177 2HB LEU 25 HB1 LEU 25 61.721 4.880 1.827 178 HG LEU 25 HG LEU 25 62.974 7.243 0.419 179 1HD1 LEU 25 HD11 LEU 25 64.221 5.135 2.046 180 2HD1 LEU 25 HD12 LEU 25 64.904 6.648 1.453 181 3HD1 LEU 25 HD13 LEU 25 64.861 5.230 0.405 182 1HD2 LEU 25 HD21 LEU 25 62.237 4.405 -0.280 183 2HD2 LEU 25 HD22 LEU 25 63.492 5.249 -1.187 184 3HD2 LEU 25 HD23 LEU 25 61.850 5.892 -1.146 185 H GLU 26 HN GLU 26 59.202 4.592 0.938 186 HA GLU 26 HA GLU 26 57.512 5.024 3.370 187 1HB GLU 26 HB2 GLU 26 56.368 5.221 1.110 188 2HB GLU 26 HB1 GLU 26 56.718 3.509 0.871 189 1HG GLU 26 HG2 GLU 26 55.624 3.435 3.357 190 2HG GLU 26 HG1 GLU 26 54.747 4.800 2.666 191 H SER 27 HN SER 27 59.183 2.630 1.357 192 HA SER 27 HA SER 27 59.638 0.945 3.693 193 1HB SER 27 HB2 SER 27 58.548 -1.063 2.414 194 2HB SER 27 HB1 SER 27 57.517 0.014 3.351 195 HG SER 27 HG SER 27 58.058 0.194 0.565 196 H TYR 28 HN TYR 28 60.479 -1.361 2.587 197 HA TYR 28 HA TYR 28 61.930 -0.983 0.098 198 1HB TYR 28 HB2 TYR 28 64.188 -0.997 1.029 199 2HB TYR 28 HB1 TYR 28 63.304 0.386 1.673 200 HD1 TYR 28 HD1 TYR 28 65.293 -2.415 2.521 201 HD2 TYR 28 HD2 TYR 28 61.972 -0.074 3.915 202 HE1 TYR 28 HE1 TYR 28 65.682 -3.238 4.828 203 HE2 TYR 28 HE2 TYR 28 62.361 -0.897 6.222 204 HH TYR 28 HH TYR 28 64.203 -3.536 6.945 205 H PHE 29 HN PHE 29 63.127 -2.945 -0.484 206 HA PHE 29 HA PHE 29 62.789 -5.272 1.313 207 1HB PHE 29 HB2 PHE 29 61.906 -6.491 -0.880 208 2HB PHE 29 HB1 PHE 29 60.791 -5.660 0.204 209 HD1 PHE 29 HD1 PHE 29 62.065 -5.850 -3.139 210 HD2 PHE 29 HD2 PHE 29 60.288 -3.169 -0.291 211 HE1 PHE 29 HE1 PHE 29 61.400 -4.331 -4.983 212 HE2 PHE 29 HE2 PHE 29 59.623 -1.650 -2.135 213 HZ PHE 29 HZ PHE 29 60.179 -2.231 -4.481 214 H GLU 30 HN GLU 30 63.801 -7.279 0.122 215 HA GLU 30 HA GLU 30 66.363 -6.331 -1.057 216 1HB GLU 30 HB2 GLU 30 65.757 -9.156 -0.186 217 2HB GLU 30 HB1 GLU 30 67.326 -8.360 -0.313 218 1HG GLU 30 HG2 GLU 30 67.181 -7.699 1.830 219 2HG GLU 30 HG1 GLU 30 65.684 -6.837 1.473 220 H THR 31 HN THR 31 67.151 -7.262 -3.019 221 HA THR 31 HA THR 31 65.086 -7.920 -4.946 222 HB THR 31 HB THR 31 67.310 -8.505 -6.306 223 HG1 THR 31 HG1 THR 31 69.081 -7.742 -5.399 224 1HG2 THR 31 HG21 THR 31 66.671 -5.668 -5.462 225 2HG2 THR 31 HG22 THR 31 65.716 -6.581 -6.630 226 3HG2 THR 31 HG23 THR 31 67.399 -6.189 -6.981 227 H ASN 32 HN ASN 32 65.364 -9.948 -6.361 228 HA ASN 32 HA ASN 32 65.223 -12.279 -4.645 229 1HB ASN 32 HB2 ASN 32 64.776 -11.654 -7.490 230 2HB ASN 32 HB1 ASN 32 65.400 -13.278 -7.201 231 1HD2 ASN 32 HD21 ASN 32 64.205 -14.156 -4.935 232 2HD2 ASN 32 HD22 ASN 32 62.512 -14.080 -5.041 233 H SER 33 HN SER 33 66.992 -13.311 -3.870 234 HA SER 33 HA SER 33 69.656 -12.825 -4.739 235 1HB SER 33 HB2 SER 33 68.548 -14.125 -2.615 236 2HB SER 33 HB1 SER 33 69.113 -15.491 -3.571 237 HG SER 33 HG SER 33 70.954 -15.002 -2.660 238 H GLU 34 HN GLU 34 67.182 -14.711 -6.156 239 HA GLU 34 HA GLU 34 68.565 -16.847 -7.349 240 1HB GLU 34 HB2 GLU 34 66.374 -15.124 -8.547 241 2HB GLU 34 HB1 GLU 34 66.874 -16.698 -9.169 242 1HG GLU 34 HG2 GLU 34 66.373 -17.643 -6.863 243 2HG GLU 34 HG1 GLU 34 65.623 -16.093 -6.480 244 H CYS 35 HN CYS 35 68.486 -13.437 -8.266 245 HA CYS 35 HA CYS 35 69.818 -13.733 -10.789 246 1HB CYS 35 HB2 CYS 35 69.152 -11.521 -8.950 247 2HB CYS 35 HB1 CYS 35 70.592 -11.249 -9.931 248 H SER 36 HN SER 36 72.097 -12.364 -10.887 249 HA SER 36 HA SER 36 74.007 -14.125 -9.593 250 1HB SER 36 HB2 SER 36 74.848 -11.530 -10.822 251 2HB SER 36 HB1 SER 36 75.601 -13.118 -10.938 252 HG SER 36 HG SER 36 74.433 -12.326 -12.852 253 H LYS 37 HN LYS 37 73.640 -10.559 -9.406 254 HA LYS 37 HA LYS 37 74.754 -10.736 -6.640 255 1HB LYS 37 HB2 LYS 37 74.934 -8.680 -8.810 256 2HB LYS 37 HB1 LYS 37 75.002 -8.138 -7.133 257 1HG LYS 37 HG2 LYS 37 76.913 -9.511 -6.673 258 2HG LYS 37 HG1 LYS 37 76.747 -10.364 -8.208 259 1HD LYS 37 HD2 LYS 37 78.054 -8.830 -9.204 260 2HD LYS 37 HD1 LYS 37 76.898 -7.569 -8.774 261 1HE LYS 37 HE2 LYS 37 77.970 -7.248 -6.617 262 2HE LYS 37 HE1 LYS 37 79.050 -8.611 -6.910 263 1HZ LYS 37 HZ1 LYS 37 80.174 -7.459 -8.573 264 2HZ LYS 37 HZ2 LYS 37 79.937 -6.288 -7.366 265 3HZ LYS 37 HZ3 LYS 37 78.948 -6.300 -8.747 266 HA PRO 38 HA PRO 38 70.763 -9.419 -5.260 267 1HB PRO 38 HB2 PRO 38 71.483 -8.892 -2.661 268 2HB PRO 38 HB1 PRO 38 71.240 -10.529 -3.295 269 1HG PRO 38 HG2 PRO 38 73.791 -9.129 -2.647 270 2HG PRO 38 HG1 PRO 38 73.440 -10.865 -2.676 271 1HD PRO 38 HD2 PRO 38 74.804 -9.411 -4.690 272 2HD PRO 38 HD1 PRO 38 74.171 -11.064 -4.838 273 H GLY 39 HN GLY 39 70.142 -7.444 -3.527 274 1HA GLY 39 HA2 GLY 39 71.666 -5.083 -3.541 275 2HA GLY 39 HA1 GLY 39 70.613 -5.044 -4.951 276 H VAL 40 HN VAL 40 70.177 -3.115 -3.091 277 HA VAL 40 HA VAL 40 67.844 -4.095 -1.502 278 HB VAL 40 HB VAL 40 69.503 -1.574 -1.187 279 1HG1 VAL 40 HG11 VAL 40 68.146 -1.053 0.700 280 2HG1 VAL 40 HG12 VAL 40 67.383 -2.643 0.685 281 3HG1 VAL 40 HG13 VAL 40 67.010 -1.474 -0.582 282 1HG2 VAL 40 HG21 VAL 40 70.881 -3.011 -0.097 283 2HG2 VAL 40 HG22 VAL 40 69.679 -4.301 -0.113 284 3HG2 VAL 40 HG23 VAL 40 69.630 -3.066 1.145 285 H ILE 41 HN ILE 41 65.852 -2.966 -1.684 286 HA ILE 41 HA ILE 41 65.713 -0.975 -3.909 287 HB ILE 41 HB ILE 41 63.816 -3.277 -3.357 288 1HG1 ILE 41 HG12 ILE 41 65.623 -2.598 -5.701 289 2HG1 ILE 41 HG11 ILE 41 65.840 -3.935 -4.570 290 1HG2 ILE 41 HG21 ILE 41 63.650 -0.983 -5.334 291 2HG2 ILE 41 HG22 ILE 41 62.544 -1.300 -3.997 292 3HG2 ILE 41 HG23 ILE 41 62.609 -2.406 -5.369 293 1HD1 ILE 41 HD11 ILE 41 63.226 -4.257 -5.461 294 2HD1 ILE 41 HD12 ILE 41 64.626 -5.178 -6.013 295 3HD1 ILE 41 HD13 ILE 41 64.098 -3.753 -6.909 296 H PHE 42 HN PHE 42 65.008 0.914 -3.053 297 HA PHE 42 HA PHE 42 63.293 0.823 -0.622 298 1HB PHE 42 HB2 PHE 42 65.015 2.960 -1.879 299 2HB PHE 42 HB1 PHE 42 63.813 3.354 -0.650 300 HD1 PHE 42 HD1 PHE 42 66.966 1.571 -1.339 301 HD2 PHE 42 HD2 PHE 42 64.065 2.606 1.655 302 HE1 PHE 42 HE1 PHE 42 68.538 0.844 0.436 303 HE2 PHE 42 HE2 PHE 42 65.637 1.879 3.430 304 HZ PHE 42 HZ PHE 42 67.874 0.999 2.820 305 H LEU 43 HN LEU 43 61.152 1.298 -0.796 306 HA LEU 43 HA LEU 43 60.175 2.329 -3.412 307 1HB LEU 43 HB2 LEU 43 59.259 0.185 -2.305 308 2HB LEU 43 HB1 LEU 43 58.463 1.267 -1.162 309 HG LEU 43 HG LEU 43 58.159 1.935 -4.044 310 1HD1 LEU 43 HD11 LEU 43 57.908 -0.576 -3.907 311 2HD1 LEU 43 HD12 LEU 43 56.453 0.271 -4.432 312 3HD1 LEU 43 HD13 LEU 43 56.581 -0.319 -2.775 313 1HD2 LEU 43 HD21 LEU 43 57.125 2.967 -1.807 314 2HD2 LEU 43 HD22 LEU 43 55.931 1.694 -2.062 315 3HD2 LEU 43 HD23 LEU 43 56.197 2.916 -3.306 316 H THR 44 HN THR 44 59.332 4.365 -3.554 317 HA THR 44 HA THR 44 59.283 6.006 -1.093 318 HB THR 44 HB THR 44 59.134 7.908 -2.586 319 HG1 THR 44 HG1 THR 44 58.832 7.588 -4.795 320 1HG2 THR 44 HG21 THR 44 61.057 5.731 -3.366 321 2HG2 THR 44 HG22 THR 44 61.372 7.222 -2.479 322 3HG2 THR 44 HG23 THR 44 61.070 7.276 -4.216 323 H LYS 45 HN LYS 45 57.375 7.552 -0.870 324 HA LYS 45 HA LYS 45 54.900 5.996 -0.979 325 1HB LYS 45 HB2 LYS 45 55.622 7.617 0.890 326 2HB LYS 45 HB1 LYS 45 55.138 8.908 -0.211 327 1HG LYS 45 HG2 LYS 45 52.884 8.258 -0.188 328 2HG LYS 45 HG1 LYS 45 53.262 6.625 0.363 329 1HD LYS 45 HD2 LYS 45 54.283 8.175 2.400 330 2HD LYS 45 HD1 LYS 45 52.841 9.076 1.931 331 1HE LYS 45 HE2 LYS 45 52.104 6.343 1.939 332 2HE LYS 45 HE1 LYS 45 53.018 6.617 3.423 333 1HZ LYS 45 HZ1 LYS 45 51.423 7.917 4.255 334 2HZ LYS 45 HZ2 LYS 45 50.414 7.210 3.085 335 3HZ LYS 45 HZ3 LYS 45 51.146 8.713 2.784 336 H LYS 46 HN LYS 46 56.487 7.593 -3.324 337 HA LYS 46 HA LYS 46 54.049 8.842 -4.496 338 1HB LYS 46 HB2 LYS 46 57.003 9.133 -5.045 339 2HB LYS 46 HB1 LYS 46 55.798 9.681 -6.212 340 1HG LYS 46 HG2 LYS 46 55.496 10.506 -3.347 341 2HG LYS 46 HG1 LYS 46 56.701 11.326 -4.340 342 1HD LYS 46 HD2 LYS 46 54.867 11.687 -6.065 343 2HD LYS 46 HD1 LYS 46 53.723 11.129 -4.843 344 1HE LYS 46 HE2 LYS 46 55.677 13.376 -4.317 345 2HE LYS 46 HE1 LYS 46 54.068 13.661 -4.981 346 1HZ LYS 46 HZ1 LYS 46 54.108 11.934 -2.674 347 2HZ LYS 46 HZ2 LYS 46 53.104 13.259 -3.024 348 3HZ LYS 46 HZ3 LYS 46 54.646 13.510 -2.356 349 H GLY 47 HN GLY 47 54.638 5.901 -4.356 350 1HA GLY 47 HA2 GLY 47 54.388 4.046 -5.752 351 2HA GLY 47 HA1 GLY 47 53.739 5.172 -6.940 352 H ARG 48 HN ARG 48 56.984 5.192 -5.515 353 HA ARG 48 HA ARG 48 58.100 4.405 -8.166 354 1HB ARG 48 HB2 ARG 48 58.275 7.015 -6.891 355 2HB ARG 48 HB1 ARG 48 59.875 6.317 -7.144 356 1HG ARG 48 HG2 ARG 48 58.132 5.904 -9.447 357 2HG ARG 48 HG1 ARG 48 58.334 7.615 -9.070 358 1HD ARG 48 HD2 ARG 48 60.888 6.859 -8.806 359 2HD ARG 48 HD1 ARG 48 60.368 5.611 -9.939 360 HE ARG 48 HE ARG 48 60.855 8.341 -10.624 361 1HH1 ARG 48 HH11 ARG 48 58.866 5.598 -11.229 362 2HH1 ARG 48 HH12 ARG 48 58.214 6.227 -12.705 363 1HH2 ARG 48 HH21 ARG 48 59.896 9.250 -12.474 364 2HH2 ARG 48 HH22 ARG 48 58.797 8.292 -13.409 365 H ARG 49 HN ARG 49 60.334 3.601 -7.992 366 HA ARG 49 HA ARG 49 61.383 3.112 -5.284 367 1HB ARG 49 HB2 ARG 49 61.540 0.595 -5.868 368 2HB ARG 49 HB1 ARG 49 59.973 1.214 -5.345 369 1HG ARG 49 HG2 ARG 49 59.033 0.664 -7.314 370 2HG ARG 49 HG1 ARG 49 60.274 1.550 -8.202 371 1HD ARG 49 HD2 ARG 49 61.781 -0.517 -7.635 372 2HD ARG 49 HD1 ARG 49 60.243 -1.341 -7.375 373 HE ARG 49 HE ARG 49 59.919 -0.136 -9.842 374 1HH1 ARG 49 HH11 ARG 49 62.963 -1.162 -8.969 375 2HH1 ARG 49 HH12 ARG 49 63.107 -2.386 -10.186 376 1HH2 ARG 49 HH21 ARG 49 59.791 -2.166 -11.176 377 2HH2 ARG 49 HH22 ARG 49 61.311 -2.954 -11.436 378 H PHE 50 HN PHE 50 63.594 2.331 -5.348 379 HA PHE 50 HA PHE 50 64.865 2.094 -8.006 380 1HB PHE 50 HB2 PHE 50 66.651 3.793 -7.079 381 2HB PHE 50 HB1 PHE 50 65.186 4.400 -7.852 382 HD1 PHE 50 HD1 PHE 50 66.532 3.416 -4.496 383 HD2 PHE 50 HD2 PHE 50 63.786 5.881 -6.695 384 HE1 PHE 50 HE1 PHE 50 65.916 4.597 -2.403 385 HE2 PHE 50 HE2 PHE 50 63.170 7.061 -4.602 386 HZ PHE 50 HZ PHE 50 64.235 6.419 -2.457 387 H CYS 51 HN CYS 51 67.026 1.168 -7.852 388 HA CYS 51 HA CYS 51 67.308 -0.608 -5.555 389 1HB CYS 51 HB2 CYS 51 69.003 -0.148 -8.024 390 2HB CYS 51 HB1 CYS 51 69.353 -1.368 -6.806 391 H ALA 52 HN ALA 52 68.979 -0.532 -4.007 392 HA ALA 52 HA ALA 52 70.754 1.865 -4.081 393 1HB ALA 52 HB1 ALA 52 70.179 1.409 -1.372 394 2HB ALA 52 HB2 ALA 52 68.620 1.296 -2.190 395 3HB ALA 52 HB3 ALA 52 69.600 2.753 -2.356 396 H ASN 53 HN ASN 53 72.578 1.588 -2.415 397 HA ASN 53 HA ASN 53 73.656 -1.127 -2.719 398 1HB ASN 53 HB2 ASN 53 74.954 1.101 -2.977 399 2HB ASN 53 HB1 ASN 53 74.974 1.130 -1.214 400 1HD2 ASN 53 HD21 ASN 53 77.053 0.451 -0.626 401 2HD2 ASN 53 HD22 ASN 53 77.822 -0.935 -1.234 402 HA PRO 54 HA PRO 54 72.269 -2.291 1.330 403 1HB PRO 54 HB2 PRO 54 73.604 -4.696 1.420 404 2HB PRO 54 HB1 PRO 54 72.095 -4.443 0.526 405 1HG PRO 54 HG2 PRO 54 74.880 -4.691 -0.520 406 2HG PRO 54 HG1 PRO 54 73.344 -5.087 -1.310 407 1HD PRO 54 HD2 PRO 54 74.877 -2.767 -1.781 408 2HD PRO 54 HD1 PRO 54 73.182 -3.002 -2.256 409 H SER 55 HN SER 55 75.582 -1.907 0.360 410 HA SER 55 HA SER 55 76.570 -2.163 3.139 411 1HB SER 55 HB2 SER 55 77.928 -1.672 0.482 412 2HB SER 55 HB1 SER 55 78.788 -1.550 2.014 413 HG SER 55 HG SER 55 78.261 -3.696 2.429 414 H ASP 56 HN ASP 56 74.955 0.150 1.471 415 HA ASP 56 HA ASP 56 76.574 2.490 2.028 416 1HB ASP 56 HB2 ASP 56 74.820 2.499 0.289 417 2HB ASP 56 HB1 ASP 56 73.590 2.249 1.529 418 H LYS 57 HN LYS 57 76.959 3.238 4.051 419 HA LYS 57 HA LYS 57 75.769 2.308 6.420 420 1HB LYS 57 HB2 LYS 57 76.950 5.048 5.866 421 2HB LYS 57 HB1 LYS 57 76.641 4.387 7.472 422 1HG LYS 57 HG2 LYS 57 78.226 2.607 7.132 423 2HG LYS 57 HG1 LYS 57 78.398 3.012 5.424 424 1HD LYS 57 HD2 LYS 57 79.050 5.397 6.488 425 2HD LYS 57 HD1 LYS 57 79.561 4.352 7.814 426 1HE LYS 57 HE2 LYS 57 80.642 2.951 5.824 427 2HE LYS 57 HE1 LYS 57 80.613 4.521 5.020 428 1HZ LYS 57 HZ1 LYS 57 82.610 3.796 6.540 429 2HZ LYS 57 HZ2 LYS 57 81.607 4.404 7.769 430 3HZ LYS 57 HZ3 LYS 57 82.085 5.408 6.485 431 H GLN 58 HN GLN 58 74.773 4.983 4.316 432 HA GLN 58 HA GLN 58 72.760 6.076 6.005 433 1HB GLN 58 HB2 GLN 58 73.139 5.987 3.015 434 2HB GLN 58 HB1 GLN 58 71.693 6.711 3.718 435 1HG GLN 58 HG2 GLN 58 73.126 8.552 3.585 436 2HG GLN 58 HG1 GLN 58 73.406 7.996 5.236 437 1HE2 GLN 58 HE21 GLN 58 75.523 7.332 5.773 438 2HE2 GLN 58 HE22 GLN 58 76.787 7.193 4.649 439 H VAL 59 HN VAL 59 72.777 3.244 3.919 440 HA VAL 59 HA VAL 59 69.908 2.825 4.009 441 HB VAL 59 HB VAL 59 72.236 1.013 3.327 442 1HG1 VAL 59 HG11 VAL 59 69.387 0.407 3.816 443 2HG1 VAL 59 HG12 VAL 59 70.781 -0.674 3.797 444 3HG1 VAL 59 HG13 VAL 59 70.014 -0.198 2.282 445 1HG2 VAL 59 HG21 VAL 59 70.070 2.369 1.689 446 2HG2 VAL 59 HG22 VAL 59 71.263 1.246 1.038 447 3HG2 VAL 59 HG23 VAL 59 71.782 2.792 1.709 448 H GLN 60 HN GLN 60 72.678 1.625 5.883 449 HA GLN 60 HA GLN 60 71.207 -0.248 7.472 450 1HB GLN 60 HB2 GLN 60 73.792 1.255 7.875 451 2HB GLN 60 HB1 GLN 60 73.137 0.220 9.145 452 1HG GLN 60 HG2 GLN 60 73.075 -1.678 7.557 453 2HG GLN 60 HG1 GLN 60 73.764 -0.643 6.306 454 1HE2 GLN 60 HE21 GLN 60 74.606 -2.862 8.710 455 2HE2 GLN 60 HE22 GLN 60 76.239 -2.435 8.890 456 H VAL 61 HN VAL 61 71.735 3.228 7.744 457 HA VAL 61 HA VAL 61 70.598 3.428 10.413 458 HB VAL 61 HB VAL 61 70.980 5.558 8.285 459 1HG1 VAL 61 HG11 VAL 61 70.527 5.753 11.280 460 2HG1 VAL 61 HG12 VAL 61 69.369 6.208 10.029 461 3HG1 VAL 61 HG13 VAL 61 70.873 7.113 10.211 462 1HG2 VAL 61 HG21 VAL 61 73.160 4.921 8.720 463 2HG2 VAL 61 HG22 VAL 61 72.768 4.300 10.324 464 3HG2 VAL 61 HG23 VAL 61 72.921 6.038 10.064 465 H CYS 62 HN CYS 62 69.365 3.530 7.127 466 HA CYS 62 HA CYS 62 66.752 4.573 7.905 467 1HB CYS 62 HB2 CYS 62 68.118 3.815 5.430 468 2HB CYS 62 HB1 CYS 62 66.427 3.313 5.451 469 H MET 63 HN MET 63 68.102 1.364 7.141 470 HA MET 63 HA MET 63 65.694 -0.118 7.232 471 1HB MET 63 HB2 MET 63 67.105 -2.056 7.804 472 2HB MET 63 HB1 MET 63 67.866 -1.085 6.543 473 1HG MET 63 HG2 MET 63 69.433 -0.153 8.041 474 2HG MET 63 HG1 MET 63 68.490 -0.619 9.456 475 1HE MET 63 HE1 MET 63 67.719 -3.797 8.573 476 2HE MET 63 HE2 MET 63 67.880 -2.859 10.055 477 3HE MET 63 HE3 MET 63 68.849 -4.314 9.832 478 H ARG 64 HN ARG 64 67.648 1.226 9.823 479 HA ARG 64 HA ARG 64 66.261 -0.256 11.924 480 1HB ARG 64 HB2 ARG 64 68.523 0.475 12.367 481 2HB ARG 64 HB1 ARG 64 68.107 2.147 11.989 482 1HG ARG 64 HG2 ARG 64 66.730 2.348 13.928 483 2HG ARG 64 HG1 ARG 64 66.751 0.606 14.209 484 1HD ARG 64 HD2 ARG 64 69.246 0.774 14.549 485 2HD ARG 64 HD1 ARG 64 69.077 2.528 14.484 486 HE ARG 64 HE ARG 64 67.239 1.552 16.418 487 1HH1 ARG 64 HH21 ARG 64 69.399 -0.255 17.230 488 2HH1 ARG 64 HH22 ARG 64 70.366 0.725 18.282 489 1HH2 ARG 64 HH11 ARG 64 69.012 3.719 17.174 490 2HH2 ARG 64 HH12 ARG 64 70.147 2.974 18.250 491 H MET 65 HN MET 65 65.688 2.624 10.105 492 HA MET 65 HA MET 65 63.832 3.738 12.112 493 1HB MET 65 HB2 MET 65 65.359 5.076 10.464 494 2HB MET 65 HB1 MET 65 64.097 4.730 9.281 495 1HG MET 65 HG2 MET 65 63.588 6.862 10.308 496 2HG MET 65 HG1 MET 65 62.419 5.681 10.900 497 1HE MET 65 HE1 MET 65 62.777 8.115 13.638 498 2HE MET 65 HE2 MET 65 62.662 8.181 11.881 499 3HE MET 65 HE3 MET 65 64.143 8.703 12.681 500 H LEU 66 HN LEU 66 63.693 2.287 8.856 501 HA LEU 66 HA LEU 66 60.791 2.384 8.745 502 1HB LEU 66 HB2 LEU 66 62.959 1.106 7.105 503 2HB LEU 66 HB1 LEU 66 61.287 0.596 6.872 504 HG LEU 66 HG LEU 66 62.040 2.490 5.365 505 1HD1 LEU 66 HD11 LEU 66 59.622 1.969 6.352 506 2HD1 LEU 66 HD12 LEU 66 59.914 3.406 5.372 507 3HD1 LEU 66 HD13 LEU 66 59.861 3.534 7.130 508 1HD2 LEU 66 HD21 LEU 66 62.260 4.706 6.348 509 2HD2 LEU 66 HD22 LEU 66 63.405 3.624 7.141 510 3HD2 LEU 66 HD23 LEU 66 61.904 4.069 7.953 511 H LYS 67 HN LYS 67 61.143 1.332 11.159 512 HA LYS 67 HA LYS 67 61.467 -1.534 11.238 513 1HB LYS 67 HB2 LYS 67 61.633 0.163 13.184 514 2HB LYS 67 HB1 LYS 67 59.873 0.063 13.243 515 1HG LYS 67 HG2 LYS 67 59.926 -2.280 13.711 516 2HG LYS 67 HG1 LYS 67 61.642 -2.389 13.318 517 1HD LYS 67 HD2 LYS 67 61.564 -0.434 15.287 518 2HD LYS 67 HD1 LYS 67 60.360 -1.605 15.828 519 1HE LYS 67 HE2 LYS 67 62.013 -3.421 15.587 520 2HE LYS 67 HE1 LYS 67 63.219 -2.253 15.047 521 1HZ LYS 67 HZ1 LYS 67 62.217 -1.223 17.382 522 2HZ LYS 67 HZ2 LYS 67 63.722 -1.983 17.175 523 3HZ LYS 67 HZ3 LYS 67 62.377 -2.882 17.693 524 H LEU 68 HN LEU 68 59.671 -3.049 11.833 525 HA LEU 68 HA LEU 68 57.324 -2.509 10.124 526 1HB LEU 68 HB2 LEU 68 58.783 -4.840 10.939 527 2HB LEU 68 HB1 LEU 68 57.102 -5.025 11.441 528 HG LEU 68 HG LEU 68 58.014 -4.268 8.649 529 1HD1 LEU 68 HD11 LEU 68 56.526 -6.745 8.926 530 2HD1 LEU 68 HD12 LEU 68 57.994 -6.782 9.902 531 3HD1 LEU 68 HD13 LEU 68 58.094 -6.469 8.170 532 1HD2 LEU 68 HD21 LEU 68 55.344 -5.232 8.746 533 2HD2 LEU 68 HD22 LEU 68 55.882 -3.596 8.364 534 3HD2 LEU 68 HD23 LEU 68 55.497 -4.031 10.029 535 H ASP 69 HN ASP 69 58.148 -2.889 13.521 536 HA ASP 69 HA ASP 69 55.462 -3.156 14.507 537 1HB ASP 69 HB2 ASP 69 57.458 -3.687 15.873 538 2HB ASP 69 HB1 ASP 69 57.897 -1.979 15.882 539 H THR 70 HN THR 70 54.498 -1.482 13.026 540 HA THR 70 HA THR 70 55.070 1.325 13.725 541 HB THR 70 HB THR 70 53.814 1.901 11.846 542 HG1 THR 70 HG1 THR 70 51.867 1.097 12.079 543 1HG2 THR 70 HG21 THR 70 54.174 -0.740 10.669 544 2HG2 THR 70 HG22 THR 70 55.590 -0.231 11.589 545 3HG2 THR 70 HG23 THR 70 54.981 0.778 10.277 546 H ARG 71 HN ARG 71 53.342 2.754 14.497 547 HA ARG 71 HA ARG 71 51.574 1.346 16.414 548 1HB ARG 71 HB2 ARG 71 51.939 4.335 16.124 549 2HB ARG 71 HB1 ARG 71 51.368 3.442 17.535 550 1HG ARG 71 HG2 ARG 71 53.685 2.266 17.451 551 2HG ARG 71 HG1 ARG 71 54.164 3.621 16.428 552 1HD ARG 71 HD2 ARG 71 52.846 4.873 18.510 553 2HD ARG 71 HD1 ARG 71 53.679 3.548 19.322 554 HE ARG 71 HE ARG 71 55.766 4.542 18.729 555 1HH1 ARG 71 HH21 ARG 71 53.689 5.530 16.302 556 2HH1 ARG 71 HH22 ARG 71 54.301 7.146 16.184 557 1HH2 ARG 71 HH11 ARG 71 56.299 6.876 19.006 558 2HH2 ARG 71 HH12 ARG 71 55.779 7.908 17.716 559 H ILE 72 HN ILE 72 49.520 0.922 15.794 560 HA ILE 72 HA ILE 72 48.145 2.900 14.032 561 HB ILE 72 HB ILE 72 47.007 0.899 12.945 562 1HG1 ILE 72 HG12 ILE 72 47.808 -0.657 14.828 563 2HG1 ILE 72 HG11 ILE 72 47.962 -1.270 13.183 564 1HG2 ILE 72 HG21 ILE 72 49.901 1.621 12.629 565 2HG2 ILE 72 HG22 ILE 72 48.549 1.927 11.539 566 3HG2 ILE 72 HG23 ILE 72 49.236 0.307 11.659 567 1HD1 ILE 72 HD11 ILE 72 50.021 -0.946 15.120 568 2HD1 ILE 72 HD12 ILE 72 50.332 0.216 13.831 569 3HD1 ILE 72 HD13 ILE 72 50.182 -1.500 13.454 570 H LYS 73 HN LYS 73 47.712 3.147 16.641 571 HA LYS 73 HA LYS 73 45.762 1.399 17.802 572 1HB LYS 73 HB2 LYS 73 45.428 3.189 19.426 573 2HB LYS 73 HB1 LYS 73 47.149 3.035 19.083 574 1HG LYS 73 HG2 LYS 73 46.783 4.851 17.298 575 2HG LYS 73 HG1 LYS 73 45.228 5.138 18.080 576 1HD LYS 73 HD2 LYS 73 46.436 5.462 20.250 577 2HD LYS 73 HD1 LYS 73 47.962 5.324 19.376 578 1HE LYS 73 HE2 LYS 73 45.869 7.310 18.509 579 2HE LYS 73 HE1 LYS 73 47.006 7.704 19.798 580 1HZ LYS 73 HZ1 LYS 73 48.463 8.211 18.228 581 2HZ LYS 73 HZ2 LYS 73 47.432 7.650 16.999 582 3HZ LYS 73 HZ3 LYS 73 48.502 6.579 17.770 583 H THR 74 HN THR 74 43.499 2.384 18.420 584 HA THR 74 HA THR 74 42.285 4.173 16.478 585 HB THR 74 HB THR 74 40.838 1.662 16.253 586 HG1 THR 74 HG1 THR 74 43.235 1.569 14.860 587 1HG2 THR 74 HG21 THR 74 41.902 2.504 13.774 588 2HG2 THR 74 HG22 THR 74 41.582 3.972 14.697 589 3HG2 THR 74 HG23 THR 74 40.284 2.814 14.405 590 H ARG 75 HN ARG 75 39.633 3.468 16.747 591 HA ARG 75 HA ARG 75 37.837 3.503 18.262 592 1HB ARG 75 HB2 ARG 75 39.816 1.769 19.457 593 2HB ARG 75 HB1 ARG 75 38.997 2.701 20.711 594 1HG ARG 75 HG2 ARG 75 36.802 2.039 19.668 595 2HG ARG 75 HG1 ARG 75 37.699 0.966 18.593 596 1HD ARG 75 HD2 ARG 75 38.639 -0.202 20.572 597 2HD ARG 75 HD1 ARG 75 37.679 0.839 21.623 598 HE ARG 75 HE ARG 75 36.031 -0.519 19.659 599 1HH1 ARG 75 HH21 ARG 75 36.202 0.044 22.861 600 2HH1 ARG 75 HH22 ARG 75 35.826 -1.561 23.394 601 1HH2 ARG 75 HH11 ARG 75 36.189 -2.974 20.248 602 2HH2 ARG 75 HH12 ARG 75 35.819 -3.270 21.914 603 H LYS 76 HN LYS 76 37.178 5.476 18.955 604 HA LYS 76 HA LYS 76 38.188 6.772 21.271 605 1HB LYS 76 HB2 LYS 76 39.183 8.797 19.962 606 2HB LYS 76 HB1 LYS 76 40.192 7.369 20.196 607 1HG LYS 76 HG2 LYS 76 39.600 6.549 17.965 608 2HG LYS 76 HG1 LYS 76 38.522 7.925 17.727 609 1HD LYS 76 HD2 LYS 76 40.259 9.418 17.441 610 2HD LYS 76 HD1 LYS 76 41.356 8.500 18.472 611 1HE LYS 76 HE2 LYS 76 42.214 7.419 16.694 612 2HE LYS 76 HE1 LYS 76 40.605 6.924 16.167 613 1HZ LYS 76 HZ1 LYS 76 41.414 9.705 15.736 614 2HZ LYS 76 HZ2 LYS 76 40.389 8.718 14.807 615 3HZ LYS 76 HZ3 LYS 76 42.074 8.518 14.721 616 H ASN 77 HN ASN 77 35.739 6.631 21.168 617 HA ASN 77 HA ASN 77 34.306 8.360 19.338 618 1HB ASN 77 HB2 ASN 77 33.499 7.104 21.978 619 2HB ASN 77 HB1 ASN 77 32.391 7.978 20.919 620 1HD2 ASN 77 HD21 ASN 77 31.304 5.714 20.892 621 2HD2 ASN 77 HD22 ASN 77 31.851 4.611 19.724 Start of MODEL 24 1 1H MET 1 HT1 MET 1 64.115 -27.573 -11.005 2 2H MET 1 HT2 MET 1 63.983 -26.448 -12.271 3 3H MET 1 HT3 MET 1 62.874 -27.729 -12.150 4 HA MET 1 HA MET 1 61.681 -25.935 -11.328 5 1HB MET 1 HB2 MET 1 63.036 -27.397 -9.045 6 2HB MET 1 HB1 MET 1 61.657 -26.319 -8.824 7 1HG MET 1 HG2 MET 1 60.315 -27.699 -10.357 8 2HG MET 1 HG1 MET 1 61.694 -28.769 -10.612 9 1HE MET 1 HE1 MET 1 60.285 -30.502 -10.284 10 2HE MET 1 HE2 MET 1 59.718 -31.195 -8.767 11 3HE MET 1 HE3 MET 1 61.436 -31.234 -9.157 12 H ASP 2 HN ASP 2 62.235 -23.808 -11.583 13 HA ASP 2 HA ASP 2 63.249 -21.736 -11.155 14 1HB ASP 2 HB2 ASP 2 62.377 -22.265 -8.858 15 2HB ASP 2 HB1 ASP 2 63.938 -22.996 -8.484 16 H ARG 3 HN ARG 3 64.956 -21.931 -12.669 17 HA ARG 3 HA ARG 3 67.356 -23.429 -12.201 18 1HB ARG 3 HB2 ARG 3 66.988 -20.959 -13.926 19 2HB ARG 3 HB1 ARG 3 68.293 -22.139 -14.058 20 1HG ARG 3 HG2 ARG 3 66.597 -23.907 -14.532 21 2HG ARG 3 HG1 ARG 3 65.341 -22.667 -14.509 22 1HD ARG 3 HD2 ARG 3 65.811 -22.085 -16.630 23 2HD ARG 3 HD1 ARG 3 67.506 -21.825 -16.219 24 HE ARG 3 HE ARG 3 67.042 -24.633 -16.442 25 1HH1 ARG 3 HH21 ARG 3 65.671 -22.871 -18.748 26 2HH1 ARG 3 HH22 ARG 3 66.826 -23.163 -20.005 27 1HH2 ARG 3 HH11 ARG 3 69.193 -24.537 -17.876 28 2HH2 ARG 3 HH12 ARG 3 68.820 -24.106 -19.512 29 H PHE 4 HN PHE 4 69.538 -22.414 -11.859 30 HA PHE 4 HA PHE 4 69.539 -20.802 -9.474 31 1HB PHE 4 HB2 PHE 4 71.348 -22.462 -10.446 32 2HB PHE 4 HB1 PHE 4 71.953 -21.011 -11.245 33 HD1 PHE 4 HD1 PHE 4 71.190 -22.547 -7.956 34 HD2 PHE 4 HD2 PHE 4 73.030 -19.254 -10.011 35 HE1 PHE 4 HE1 PHE 4 72.270 -21.831 -5.842 36 HE2 PHE 4 HE2 PHE 4 74.110 -18.538 -7.897 37 HZ PHE 4 HZ PHE 4 73.730 -19.827 -5.812 38 H HIS 5 HN HIS 5 68.314 -18.908 -10.105 39 HA HIS 5 HA HIS 5 69.607 -17.140 -12.118 40 1HB HIS 5 HB2 HIS 5 66.955 -17.698 -11.641 41 2HB HIS 5 HB1 HIS 5 67.169 -16.179 -10.771 42 HD1 HIS 5 HD1 HIS 5 68.239 -14.163 -12.223 43 HD2 HIS 5 HD2 HIS 5 66.805 -17.413 -14.405 44 HE1 HIS 5 HE1 HIS 5 68.001 -13.370 -14.617 45 H ALA 6 HN ALA 6 71.403 -16.951 -10.391 46 HA ALA 6 HA ALA 6 70.673 -14.753 -8.495 47 1HB ALA 6 HB1 ALA 6 72.930 -15.799 -7.393 48 2HB ALA 6 HB2 ALA 6 72.218 -17.249 -8.099 49 3HB ALA 6 HB3 ALA 6 71.302 -16.295 -6.933 50 H THR 7 HN THR 7 72.217 -15.348 -11.319 51 HA THR 7 HA THR 7 74.595 -13.675 -10.745 52 HB THR 7 HB THR 7 74.714 -14.141 -13.418 53 HG1 THR 7 HG1 THR 7 73.683 -15.933 -13.937 54 1HG2 THR 7 HG21 THR 7 76.372 -14.703 -11.598 55 2HG2 THR 7 HG22 THR 7 76.269 -15.902 -12.887 56 3HG2 THR 7 HG23 THR 7 75.480 -16.202 -11.338 57 H SER 8 HN SER 8 71.555 -13.590 -12.559 58 HA SER 8 HA SER 8 72.147 -10.960 -13.705 59 1HB SER 8 HB2 SER 8 70.463 -12.973 -14.445 60 2HB SER 8 HB1 SER 8 69.339 -11.893 -13.625 61 HG SER 8 HG SER 8 70.154 -11.646 -16.044 62 H ALA 9 HN ALA 9 71.543 -11.838 -10.633 63 HA ALA 9 HA ALA 9 69.397 -10.101 -9.841 64 1HB ALA 9 HB1 ALA 9 71.278 -10.320 -7.715 65 2HB ALA 9 HB2 ALA 9 71.265 -11.865 -8.564 66 3HB ALA 9 HB3 ALA 9 69.765 -11.204 -7.915 67 H ASP 10 HN ASP 10 70.178 -8.350 -8.000 68 HA ASP 10 HA ASP 10 72.524 -6.805 -8.662 69 1HB ASP 10 HB2 ASP 10 70.736 -6.427 -10.584 70 2HB ASP 10 HB1 ASP 10 70.010 -5.344 -9.395 71 H CYS 11 HN CYS 11 71.919 -7.593 -6.232 72 HA CYS 11 HA CYS 11 70.080 -5.911 -4.775 73 1HB CYS 11 HB2 CYS 11 72.374 -7.693 -3.931 74 2HB CYS 11 HB1 CYS 11 71.411 -6.780 -2.768 75 H CYS 12 HN CYS 12 71.238 -4.718 -2.723 76 HA CYS 12 HA CYS 12 73.050 -2.725 -3.998 77 1HB CYS 12 HB2 CYS 12 71.010 -2.619 -1.819 78 2HB CYS 12 HB1 CYS 12 72.382 -1.517 -1.709 79 H ILE 13 HN ILE 13 75.170 -2.872 -3.481 80 HA ILE 13 HA ILE 13 75.990 -4.460 -1.130 81 HB ILE 13 HB ILE 13 77.135 -4.650 -3.382 82 1HG1 ILE 13 HG12 ILE 13 79.255 -3.681 -1.551 83 2HG1 ILE 13 HG11 ILE 13 78.155 -4.877 -0.865 84 1HG2 ILE 13 HG21 ILE 13 77.147 -1.865 -3.202 85 2HG2 ILE 13 HG22 ILE 13 78.016 -2.833 -4.393 86 3HG2 ILE 13 HG23 ILE 13 78.826 -2.320 -2.912 87 1HD1 ILE 13 HD11 ILE 13 80.115 -5.941 -1.962 88 2HD1 ILE 13 HD12 ILE 13 79.643 -5.193 -3.488 89 3HD1 ILE 13 HD13 ILE 13 78.597 -6.397 -2.735 90 H SER 14 HN SER 14 75.626 -1.155 -2.100 91 HA SER 14 HA SER 14 76.645 -0.310 0.566 92 1HB SER 14 HB2 SER 14 77.251 1.230 -1.967 93 2HB SER 14 HB1 SER 14 77.902 1.510 -0.355 94 HG SER 14 HG SER 14 79.135 -0.274 -0.534 95 H TYR 15 HN TYR 15 75.095 0.893 1.554 96 HA TYR 15 HA TYR 15 72.743 1.753 0.047 97 1HB TYR 15 HB2 TYR 15 73.504 2.217 2.947 98 2HB TYR 15 HB1 TYR 15 71.917 2.523 2.241 99 HD1 TYR 15 HD1 TYR 15 73.440 0.320 4.300 100 HD2 TYR 15 HD2 TYR 15 71.331 0.299 0.559 101 HE1 TYR 15 HE1 TYR 15 72.821 -2.054 4.663 102 HE2 TYR 15 HE2 TYR 15 70.712 -2.075 0.921 103 HH TYR 15 HH TYR 15 71.060 -3.628 3.917 104 H THR 16 HN THR 16 71.975 4.008 0.067 105 HA THR 16 HA THR 16 73.920 5.858 -0.836 106 HB THR 16 HB THR 16 71.517 6.078 -1.342 107 HG1 THR 16 HG1 THR 16 72.129 8.057 -1.600 108 1HG2 THR 16 HG21 THR 16 71.264 6.841 1.581 109 2HG2 THR 16 HG22 THR 16 70.684 5.335 0.868 110 3HG2 THR 16 HG23 THR 16 69.966 6.873 0.387 111 HA PRO 17 HA PRO 17 75.562 7.086 3.113 112 1HB PRO 17 HB2 PRO 17 77.290 8.976 2.117 113 2HB PRO 17 HB1 PRO 17 77.611 7.234 2.064 114 1HG PRO 17 HG2 PRO 17 76.805 9.060 -0.149 115 2HG PRO 17 HG1 PRO 17 77.704 7.536 -0.224 116 1HD PRO 17 HD2 PRO 17 74.958 7.883 -0.842 117 2HD PRO 17 HD1 PRO 17 75.795 6.332 -0.616 118 H ARG 18 HN ARG 18 73.072 8.129 2.845 119 HA ARG 18 HA ARG 18 73.367 10.821 3.915 120 1HB ARG 18 HB2 ARG 18 72.424 10.373 1.109 121 2HB ARG 18 HB1 ARG 18 71.631 11.625 2.066 122 1HG ARG 18 HG2 ARG 18 74.288 12.089 2.610 123 2HG ARG 18 HG1 ARG 18 74.342 11.578 0.922 124 1HD ARG 18 HD2 ARG 18 72.337 13.623 1.869 125 2HD ARG 18 HD1 ARG 18 73.969 14.094 1.394 126 HE ARG 18 HE ARG 18 71.940 12.884 -0.424 127 1HH1 ARG 18 HH11 ARG 18 73.018 15.701 -0.719 128 2HH1 ARG 18 HH12 ARG 18 74.191 15.491 -1.976 129 1HH2 ARG 18 HH21 ARG 18 74.298 12.039 -1.664 130 2HH2 ARG 18 HH22 ARG 18 74.916 13.418 -2.511 131 H SER 19 HN SER 19 71.443 11.496 4.983 132 HA SER 19 HA SER 19 69.489 9.302 5.394 133 1HB SER 19 HB2 SER 19 68.713 10.771 7.294 134 2HB SER 19 HB1 SER 19 70.391 10.255 7.424 135 HG SER 19 HG SER 19 71.013 12.254 7.171 136 H ILE 20 HN ILE 20 67.475 9.398 4.507 137 HA ILE 20 HA ILE 20 66.662 11.978 3.245 138 HB ILE 20 HB ILE 20 65.773 9.137 2.661 139 1HG1 ILE 20 HG12 ILE 20 66.859 9.885 0.386 140 2HG1 ILE 20 HG11 ILE 20 67.704 11.063 1.391 141 1HG2 ILE 20 HG21 ILE 20 65.138 11.552 0.982 142 2HG2 ILE 20 HG22 ILE 20 64.117 11.146 2.362 143 3HG2 ILE 20 HG23 ILE 20 64.314 9.994 1.041 144 1HD1 ILE 20 HD11 ILE 20 67.640 8.164 2.194 145 2HD1 ILE 20 HD12 ILE 20 68.816 9.407 2.624 146 3HD1 ILE 20 HD13 ILE 20 68.807 8.726 0.997 147 HA PRO 21 HA PRO 21 63.421 12.164 6.241 148 1HB PRO 21 HB2 PRO 21 61.968 14.157 5.026 149 2HB PRO 21 HB1 PRO 21 63.465 14.449 5.929 150 1HG PRO 21 HG2 PRO 21 63.019 14.464 2.981 151 2HG PRO 21 HG1 PRO 21 64.245 15.316 3.935 152 1HD PRO 21 HD2 PRO 21 64.657 12.950 2.431 153 2HD PRO 21 HD1 PRO 21 65.772 13.634 3.634 154 H CYS 22 HN CYS 22 61.479 11.061 6.455 155 HA CYS 22 HA CYS 22 60.435 9.442 4.388 156 1HB CYS 22 HB2 CYS 22 59.717 10.119 7.113 157 2HB CYS 22 HB1 CYS 22 58.275 10.003 6.105 158 H SER 23 HN SER 23 59.832 12.797 5.158 159 HA SER 23 HA SER 23 57.351 13.170 3.829 160 1HB SER 23 HB2 SER 23 59.487 15.260 3.619 161 2HB SER 23 HB1 SER 23 57.775 15.446 3.990 162 HG SER 23 HG SER 23 58.165 14.598 6.029 163 H LEU 24 HN LEU 24 60.523 12.541 2.579 164 HA LEU 24 HA LEU 24 59.593 13.241 -0.172 165 1HB LEU 24 HB2 LEU 24 61.997 13.801 1.130 166 2HB LEU 24 HB1 LEU 24 62.391 12.450 0.067 167 HG LEU 24 HG LEU 24 62.684 14.646 -1.065 168 1HD1 LEU 24 HD11 LEU 24 60.286 13.387 -2.348 169 2HD1 LEU 24 HD12 LEU 24 61.741 12.412 -2.141 170 3HD1 LEU 24 HD13 LEU 24 61.804 13.902 -3.081 171 1HD2 LEU 24 HD21 LEU 24 61.087 16.259 -1.022 172 2HD2 LEU 24 HD22 LEU 24 60.374 15.330 0.296 173 3HD2 LEU 24 HD23 LEU 24 59.796 15.105 -1.354 174 H LEU 25 HN LEU 25 58.905 10.780 1.411 175 HA LEU 25 HA LEU 25 60.028 8.783 -0.514 176 1HB LEU 25 HB2 LEU 25 59.258 8.293 2.379 177 2HB LEU 25 HB1 LEU 25 59.923 7.101 1.262 178 HG LEU 25 HG LEU 25 61.304 9.603 2.271 179 1HD1 LEU 25 HD11 LEU 25 61.371 6.717 2.950 180 2HD1 LEU 25 HD12 LEU 25 61.746 8.118 3.953 181 3HD1 LEU 25 HD13 LEU 25 62.943 7.505 2.812 182 1HD2 LEU 25 HD21 LEU 25 62.444 9.517 0.318 183 2HD2 LEU 25 HD22 LEU 25 61.709 7.976 -0.122 184 3HD2 LEU 25 HD23 LEU 25 63.142 8.008 0.906 185 H GLU 26 HN GLU 26 58.514 7.512 -1.543 186 HA GLU 26 HA GLU 26 55.662 8.012 -0.816 187 1HB GLU 26 HB2 GLU 26 56.290 8.616 -3.123 188 2HB GLU 26 HB1 GLU 26 56.867 6.972 -3.399 189 1HG GLU 26 HG2 GLU 26 54.725 6.073 -3.413 190 2HG GLU 26 HG1 GLU 26 54.064 7.368 -2.414 191 H SER 27 HN SER 27 58.069 5.495 -1.335 192 HA SER 27 HA SER 27 56.456 3.601 0.189 193 1HB SER 27 HB2 SER 27 56.631 1.901 -1.787 194 2HB SER 27 HB1 SER 27 55.331 3.090 -1.806 195 HG SER 27 HG SER 27 56.361 3.103 -3.796 196 H TYR 28 HN TYR 28 57.720 1.263 -0.317 197 HA TYR 28 HA TYR 28 60.569 1.534 -0.734 198 1HB TYR 28 HB2 TYR 28 61.350 1.219 1.524 199 2HB TYR 28 HB1 TYR 28 60.258 2.604 1.540 200 HD1 TYR 28 HD1 TYR 28 60.890 -0.716 2.819 201 HD2 TYR 28 HD2 TYR 28 57.834 2.245 2.230 202 HE1 TYR 28 HE1 TYR 28 59.460 -1.859 4.492 203 HE2 TYR 28 HE2 TYR 28 56.404 1.102 3.903 204 HH TYR 28 HH TYR 28 56.311 -0.505 5.447 205 H PHE 29 HN PHE 29 61.664 -0.561 -0.455 206 HA PHE 29 HA PHE 29 59.990 -2.895 0.179 207 1HB PHE 29 HB2 PHE 29 60.810 -3.845 -2.173 208 2HB PHE 29 HB1 PHE 29 59.304 -2.941 -2.031 209 HD1 PHE 29 HD1 PHE 29 59.360 -0.413 -2.451 210 HD2 PHE 29 HD2 PHE 29 62.581 -3.046 -3.525 211 HE1 PHE 29 HE1 PHE 29 60.239 1.300 -4.015 212 HE2 PHE 29 HE2 PHE 29 63.459 -1.332 -5.089 213 HZ PHE 29 HZ PHE 29 62.288 0.840 -5.333 214 H GLU 30 HN GLU 30 61.348 -4.939 0.000 215 HA GLU 30 HA GLU 30 64.143 -4.280 0.788 216 1HB GLU 30 HB2 GLU 30 62.476 -6.782 1.195 217 2HB GLU 30 HB1 GLU 30 64.153 -6.605 1.715 218 1HG GLU 30 HG2 GLU 30 63.589 -4.844 3.239 219 2HG GLU 30 HG1 GLU 30 61.964 -4.698 2.569 220 H THR 31 HN THR 31 65.909 -5.311 -0.234 221 HA THR 31 HA THR 31 65.640 -5.885 -3.012 222 HB THR 31 HB THR 31 67.971 -6.794 -2.810 223 HG1 THR 31 HG1 THR 31 68.874 -6.519 -0.658 224 1HG2 THR 31 HG21 THR 31 68.741 -4.559 -1.485 225 2HG2 THR 31 HG22 THR 31 67.066 -4.141 -1.847 226 3HG2 THR 31 HG23 THR 31 68.177 -4.547 -3.156 227 H ASN 32 HN ASN 32 66.258 -8.051 -4.013 228 HA ASN 32 HA ASN 32 64.427 -10.071 -3.264 229 1HB ASN 32 HB2 ASN 32 66.956 -10.131 -4.914 230 2HB ASN 32 HB1 ASN 32 65.979 -11.579 -4.666 231 1HD2 ASN 32 HD21 ASN 32 65.339 -11.622 -6.951 232 2HD2 ASN 32 HD22 ASN 32 64.229 -10.497 -7.569 233 H SER 33 HN SER 33 64.470 -11.521 -1.616 234 HA SER 33 HA SER 33 66.490 -11.568 0.371 235 1HB SER 33 HB2 SER 33 64.115 -13.180 -0.301 236 2HB SER 33 HB1 SER 33 65.363 -14.066 0.571 237 HG SER 33 HG SER 33 63.798 -11.899 1.356 238 H GLU 34 HN GLU 34 66.361 -13.095 -2.729 239 HA GLU 34 HA GLU 34 67.940 -15.376 -2.428 240 1HB GLU 34 HB2 GLU 34 68.118 -13.309 -4.644 241 2HB GLU 34 HB1 GLU 34 68.732 -14.960 -4.738 242 1HG GLU 34 HG2 GLU 34 65.846 -14.101 -4.406 243 2HG GLU 34 HG1 GLU 34 66.557 -14.934 -5.788 244 H CYS 35 HN CYS 35 68.874 -12.038 -2.058 245 HA CYS 35 HA CYS 35 71.749 -12.608 -2.212 246 1HB CYS 35 HB2 CYS 35 70.148 -10.163 -1.424 247 2HB CYS 35 HB1 CYS 35 71.909 -10.216 -1.339 248 H SER 36 HN SER 36 73.130 -12.860 -0.445 249 HA SER 36 HA SER 36 72.008 -13.842 2.012 250 1HB SER 36 HB2 SER 36 74.470 -14.000 0.841 251 2HB SER 36 HB1 SER 36 74.781 -12.808 2.100 252 HG SER 36 HG SER 36 75.079 -14.827 2.982 253 H LYS 37 HN LYS 37 73.149 -10.689 0.955 254 HA LYS 37 HA LYS 37 72.370 -9.591 3.628 255 1HB LYS 37 HB2 LYS 37 74.352 -8.413 1.657 256 2HB LYS 37 HB1 LYS 37 73.989 -7.806 3.273 257 1HG LYS 37 HG2 LYS 37 74.943 -10.636 2.887 258 2HG LYS 37 HG1 LYS 37 76.097 -9.304 2.961 259 1HD LYS 37 HD2 LYS 37 74.081 -9.141 5.071 260 2HD LYS 37 HD1 LYS 37 75.015 -10.636 5.149 261 1HE LYS 37 HE2 LYS 37 76.195 -8.970 6.442 262 2HE LYS 37 HE1 LYS 37 77.109 -9.241 4.958 263 1HZ LYS 37 HZ1 LYS 37 75.100 -7.082 5.248 264 2HZ LYS 37 HZ2 LYS 37 76.251 -7.275 4.012 265 3HZ LYS 37 HZ3 LYS 37 76.748 -6.859 5.583 266 HA PRO 38 HA PRO 38 69.363 -7.834 0.721 267 1HB PRO 38 HB2 PRO 38 67.393 -7.581 2.623 268 2HB PRO 38 HB1 PRO 38 67.694 -9.072 1.713 269 1HG PRO 38 HG2 PRO 38 68.365 -8.434 4.550 270 2HG PRO 38 HG1 PRO 38 68.043 -10.006 3.799 271 1HD PRO 38 HD2 PRO 38 70.596 -8.981 4.443 272 2HD PRO 38 HD1 PRO 38 70.269 -10.367 3.381 273 H GLY 39 HN GLY 39 67.707 -5.832 1.481 274 1HA GLY 39 HA2 GLY 39 68.848 -3.941 3.300 275 2HA GLY 39 HA1 GLY 39 69.252 -3.534 1.634 276 H VAL 40 HN VAL 40 67.795 -1.627 2.659 277 HA VAL 40 HA VAL 40 64.962 -2.230 1.909 278 HB VAL 40 HB VAL 40 65.713 0.150 3.574 279 1HG1 VAL 40 HG11 VAL 40 63.372 -1.602 4.115 280 2HG1 VAL 40 HG12 VAL 40 63.354 -0.726 2.585 281 3HG1 VAL 40 HG13 VAL 40 63.482 0.158 4.106 282 1HG2 VAL 40 HG21 VAL 40 66.769 -1.334 4.986 283 2HG2 VAL 40 HG22 VAL 40 65.878 -2.723 4.361 284 3HG2 VAL 40 HG23 VAL 40 65.108 -1.623 5.504 285 H ILE 41 HN ILE 41 64.268 -1.216 0.096 286 HA ILE 41 HA ILE 41 65.882 1.073 -0.934 287 HB ILE 41 HB ILE 41 63.846 -0.583 -2.447 288 1HG1 ILE 41 HG12 ILE 41 66.806 -0.953 -2.749 289 2HG1 ILE 41 HG11 ILE 41 65.992 -1.748 -1.402 290 1HG2 ILE 41 HG21 ILE 41 65.933 0.433 -4.072 291 2HG2 ILE 41 HG22 ILE 41 65.425 1.758 -3.026 292 3HG2 ILE 41 HG23 ILE 41 64.245 0.943 -4.053 293 1HD1 ILE 41 HD11 ILE 41 65.005 -1.966 -4.252 294 2HD1 ILE 41 HD12 ILE 41 64.536 -2.951 -2.867 295 3HD1 ILE 41 HD13 ILE 41 66.153 -3.109 -3.555 296 H PHE 42 HN PHE 42 64.983 3.031 -0.515 297 HA PHE 42 HA PHE 42 62.059 3.202 -0.049 298 1HB PHE 42 HB2 PHE 42 64.334 5.154 0.388 299 2HB PHE 42 HB1 PHE 42 62.640 5.574 0.639 300 HD1 PHE 42 HD1 PHE 42 65.431 3.443 1.800 301 HD2 PHE 42 HD2 PHE 42 61.384 4.695 2.511 302 HE1 PHE 42 HE1 PHE 42 65.507 2.407 4.052 303 HE2 PHE 42 HE2 PHE 42 61.460 3.659 4.763 304 HZ PHE 42 HZ PHE 42 63.521 2.515 5.533 305 H LEU 43 HN LEU 43 60.687 4.166 -1.495 306 HA LEU 43 HA LEU 43 61.894 5.192 -4.016 307 1HB LEU 43 HB2 LEU 43 60.110 3.349 -4.004 308 2HB LEU 43 HB1 LEU 43 58.970 4.603 -3.515 309 HG LEU 43 HG LEU 43 60.282 5.794 -5.628 310 1HD1 LEU 43 HD11 LEU 43 61.156 4.244 -7.004 311 2HD1 LEU 43 HD12 LEU 43 59.606 3.405 -7.065 312 3HD1 LEU 43 HD13 LEU 43 60.781 2.996 -5.816 313 1HD2 LEU 43 HD21 LEU 43 57.687 4.910 -4.941 314 2HD2 LEU 43 HD22 LEU 43 57.989 4.303 -6.569 315 3HD2 LEU 43 HD23 LEU 43 58.122 6.029 -6.233 316 H THR 44 HN THR 44 61.218 7.245 -4.859 317 HA THR 44 HA THR 44 60.334 9.122 -2.738 318 HB THR 44 HB THR 44 60.980 10.856 -4.504 319 HG1 THR 44 HG1 THR 44 62.111 10.109 -6.245 320 1HG2 THR 44 HG21 THR 44 63.070 10.885 -3.607 321 2HG2 THR 44 HG22 THR 44 63.403 9.220 -4.083 322 3HG2 THR 44 HG23 THR 44 62.465 9.550 -2.626 323 H LYS 45 HN LYS 45 58.901 10.999 -3.685 324 HA LYS 45 HA LYS 45 56.456 9.738 -4.676 325 1HB LYS 45 HB2 LYS 45 56.394 11.535 -2.966 326 2HB LYS 45 HB1 LYS 45 57.069 12.661 -4.144 327 1HG LYS 45 HG2 LYS 45 55.131 12.600 -5.492 328 2HG LYS 45 HG1 LYS 45 54.548 11.116 -4.737 329 1HD LYS 45 HD2 LYS 45 53.330 13.197 -3.994 330 2HD LYS 45 HD1 LYS 45 54.055 12.275 -2.677 331 1HE LYS 45 HE2 LYS 45 55.697 13.854 -2.287 332 2HE LYS 45 HE1 LYS 45 55.701 14.416 -3.959 333 1HZ LYS 45 HZ1 LYS 45 53.310 15.181 -3.373 334 2HZ LYS 45 HZ2 LYS 45 54.638 16.124 -2.889 335 3HZ LYS 45 HZ3 LYS 45 53.863 15.106 -1.772 336 H LYS 46 HN LYS 46 59.178 11.245 -6.099 337 HA LYS 46 HA LYS 46 57.681 12.057 -8.520 338 1HB LYS 46 HB2 LYS 46 60.673 12.174 -8.102 339 2HB LYS 46 HB1 LYS 46 59.698 13.113 -9.235 340 1HG LYS 46 HG2 LYS 46 58.750 14.428 -7.508 341 2HG LYS 46 HG1 LYS 46 59.259 13.296 -6.254 342 1HD LYS 46 HD2 LYS 46 61.173 14.445 -5.994 343 2HD LYS 46 HD1 LYS 46 61.592 14.119 -7.677 344 1HE LYS 46 HE2 LYS 46 59.553 16.220 -7.319 345 2HE LYS 46 HE1 LYS 46 61.137 16.623 -6.656 346 1HZ LYS 46 HZ1 LYS 46 61.412 15.382 -9.183 347 2HZ LYS 46 HZ2 LYS 46 61.927 16.923 -8.687 348 3HZ LYS 46 HZ3 LYS 46 60.360 16.707 -9.307 349 H GLY 47 HN GLY 47 60.738 10.280 -8.100 350 1HA GLY 47 HA2 GLY 47 59.914 7.842 -9.218 351 2HA GLY 47 HA1 GLY 47 60.487 8.856 -10.537 352 H ARG 48 HN ARG 48 61.658 8.553 -7.183 353 HA ARG 48 HA ARG 48 64.287 7.681 -8.313 354 1HB ARG 48 HB2 ARG 48 64.026 10.132 -7.367 355 2HB ARG 48 HB1 ARG 48 64.139 9.322 -5.804 356 1HG ARG 48 HG2 ARG 48 66.274 8.332 -6.412 357 2HG ARG 48 HG1 ARG 48 66.145 8.974 -8.050 358 1HD ARG 48 HD2 ARG 48 65.830 11.255 -6.596 359 2HD ARG 48 HD1 ARG 48 66.911 10.345 -5.541 360 HE ARG 48 HE ARG 48 67.787 10.332 -8.318 361 1HH1 ARG 48 HH11 ARG 48 69.763 10.310 -6.169 362 2HH1 ARG 48 HH12 ARG 48 70.326 11.947 -6.117 363 1HH2 ARG 48 HH21 ARG 48 67.634 13.208 -7.902 364 2HH2 ARG 48 HH22 ARG 48 69.120 13.588 -7.098 365 H ARG 49 HN ARG 49 65.575 6.374 -6.806 366 HA ARG 49 HA ARG 49 64.226 5.352 -4.399 367 1HB ARG 49 HB2 ARG 49 64.392 2.978 -5.197 368 2HB ARG 49 HB1 ARG 49 63.215 3.935 -6.098 369 1HG ARG 49 HG2 ARG 49 65.343 4.433 -7.631 370 2HG ARG 49 HG1 ARG 49 65.871 2.883 -6.973 371 1HD ARG 49 HD2 ARG 49 63.142 2.571 -7.666 372 2HD ARG 49 HD1 ARG 49 63.912 3.391 -9.024 373 HE ARG 49 HE ARG 49 65.052 0.867 -7.897 374 1HH1 ARG 49 HH11 ARG 49 66.566 2.127 -10.078 375 2HH1 ARG 49 HH12 ARG 49 65.924 1.368 -11.496 376 1HH2 ARG 49 HH21 ARG 49 63.080 0.191 -9.899 377 2HH2 ARG 49 HH22 ARG 49 63.949 0.272 -11.394 378 H PHE 50 HN PHE 50 65.708 4.386 -2.967 379 HA PHE 50 HA PHE 50 68.452 3.837 -3.893 380 1HB PHE 50 HB2 PHE 50 69.390 5.332 -2.067 381 2HB PHE 50 HB1 PHE 50 68.677 6.185 -3.436 382 HD1 PHE 50 HD1 PHE 50 66.418 7.207 -3.245 383 HD2 PHE 50 HD2 PHE 50 68.389 5.411 0.123 384 HE1 PHE 50 HE1 PHE 50 64.835 8.344 -1.712 385 HE2 PHE 50 HE2 PHE 50 66.806 6.547 1.656 386 HZ PHE 50 HZ PHE 50 65.028 8.014 0.739 387 H CYS 51 HN CYS 51 69.488 2.354 -2.542 388 HA CYS 51 HA CYS 51 67.799 0.933 -0.655 389 1HB CYS 51 HB2 CYS 51 70.759 0.610 -1.232 390 2HB CYS 51 HB1 CYS 51 69.718 -0.554 -0.422 391 H ALA 52 HN ALA 52 68.287 0.652 1.617 392 HA ALA 52 HA ALA 52 70.136 2.670 2.791 393 1HB ALA 52 HB1 ALA 52 68.149 2.799 4.599 394 2HB ALA 52 HB2 ALA 52 67.185 2.469 3.160 395 3HB ALA 52 HB3 ALA 52 68.230 3.888 3.215 396 H ASN 53 HN ASN 53 70.559 2.156 5.147 397 HA ASN 53 HA ASN 53 70.949 -0.734 5.429 398 1HB ASN 53 HB2 ASN 53 72.610 1.097 6.137 399 2HB ASN 53 HB1 ASN 53 71.548 1.363 7.521 400 1HD2 ASN 53 HD21 ASN 53 73.998 -0.732 6.202 401 2HD2 ASN 53 HD22 ASN 53 74.008 -1.859 7.472 402 HA PRO 54 HA PRO 54 67.234 -1.276 7.771 403 1HB PRO 54 HB2 PRO 54 67.771 -3.837 8.621 404 2HB PRO 54 HB1 PRO 54 67.206 -3.443 6.988 405 1HG PRO 54 HG2 PRO 54 69.943 -4.219 7.894 406 2HG PRO 54 HG1 PRO 54 69.178 -4.445 6.312 407 1HD PRO 54 HD2 PRO 54 71.064 -2.444 6.953 408 2HD PRO 54 HD1 PRO 54 70.020 -2.465 5.515 409 H SER 55 HN SER 55 70.291 -0.843 9.004 410 HA SER 55 HA SER 55 69.529 -1.443 11.811 411 1HB SER 55 HB2 SER 55 72.171 -0.406 10.751 412 2HB SER 55 HB1 SER 55 71.861 -1.078 12.349 413 HG SER 55 HG SER 55 72.428 -2.336 10.029 414 H ASP 56 HN ASP 56 69.276 1.084 9.639 415 HA ASP 56 HA ASP 56 69.959 3.277 11.436 416 1HB ASP 56 HB2 ASP 56 69.940 3.384 8.887 417 2HB ASP 56 HB1 ASP 56 68.179 3.415 8.992 418 H LYS 57 HN LYS 57 68.731 3.641 13.222 419 HA LYS 57 HA LYS 57 66.171 2.619 13.753 420 1HB LYS 57 HB2 LYS 57 66.001 4.718 15.297 421 2HB LYS 57 HB1 LYS 57 67.275 3.540 15.613 422 1HG LYS 57 HG2 LYS 57 68.124 5.507 13.647 423 2HG LYS 57 HG1 LYS 57 67.626 6.279 15.153 424 1HD LYS 57 HD2 LYS 57 69.170 4.965 16.437 425 2HD LYS 57 HD1 LYS 57 69.513 3.914 15.063 426 1HE LYS 57 HE2 LYS 57 71.097 5.321 14.298 427 2HE LYS 57 HE1 LYS 57 69.986 6.688 14.368 428 1HZ LYS 57 HZ1 LYS 57 72.140 6.351 15.961 429 2HZ LYS 57 HZ2 LYS 57 70.878 5.787 16.949 430 3HZ LYS 57 HZ3 LYS 57 70.821 7.359 16.308 431 H GLN 58 HN GLN 58 67.087 5.583 12.052 432 HA GLN 58 HA GLN 58 64.458 6.717 11.901 433 1HB GLN 58 HB2 GLN 58 66.981 7.031 10.285 434 2HB GLN 58 HB1 GLN 58 65.488 7.814 9.767 435 1HG GLN 58 HG2 GLN 58 65.565 9.343 11.444 436 2HG GLN 58 HG1 GLN 58 66.092 8.149 12.631 437 1HE2 GLN 58 HE21 GLN 58 68.357 7.947 13.033 438 2HE2 GLN 58 HE22 GLN 58 69.521 8.927 12.280 439 H VAL 59 HN VAL 59 66.086 4.206 10.077 440 HA VAL 59 HA VAL 59 64.209 4.194 7.865 441 HB VAL 59 HB VAL 59 66.217 2.171 8.887 442 1HG1 VAL 59 HG11 VAL 59 65.220 0.591 7.634 443 2HG1 VAL 59 HG12 VAL 59 65.412 1.615 6.211 444 3HG1 VAL 59 HG13 VAL 59 63.949 1.729 7.188 445 1HG2 VAL 59 HG21 VAL 59 66.141 3.789 6.323 446 2HG2 VAL 59 HG22 VAL 59 67.492 2.842 6.948 447 3HG2 VAL 59 HG23 VAL 59 66.989 4.314 7.778 448 H GLN 60 HN GLN 60 64.508 2.379 10.909 449 HA GLN 60 HA GLN 60 62.253 0.649 10.371 450 1HB GLN 60 HB2 GLN 60 63.545 1.444 13.000 451 2HB GLN 60 HB1 GLN 60 62.381 0.134 12.798 452 1HG GLN 60 HG2 GLN 60 63.977 -0.837 11.057 453 2HG GLN 60 HG1 GLN 60 65.166 0.332 11.634 454 1HE2 GLN 60 HE21 GLN 60 65.330 -2.620 11.908 455 2HE2 GLN 60 HE22 GLN 60 65.386 -2.939 13.574 456 H VAL 61 HN VAL 61 62.644 3.795 11.945 457 HA VAL 61 HA VAL 61 59.907 3.887 12.925 458 HB VAL 61 HB VAL 61 62.033 6.011 12.548 459 1HG1 VAL 61 HG11 VAL 61 60.325 7.229 14.176 460 2HG1 VAL 61 HG12 VAL 61 59.153 6.200 13.352 461 3HG1 VAL 61 HG13 VAL 61 60.133 7.337 12.426 462 1HG2 VAL 61 HG21 VAL 61 60.956 5.410 15.217 463 2HG2 VAL 61 HG22 VAL 61 62.633 5.536 14.686 464 3HG2 VAL 61 HG23 VAL 61 61.746 4.030 14.454 465 H CYS 62 HN CYS 62 61.480 4.580 9.910 466 HA CYS 62 HA CYS 62 59.352 6.313 8.902 467 1HB CYS 62 HB2 CYS 62 61.966 5.421 8.020 468 2HB CYS 62 HB1 CYS 62 60.783 5.253 6.723 469 H MET 63 HN MET 63 60.198 2.885 8.720 470 HA MET 63 HA MET 63 58.353 2.143 6.673 471 1HB MET 63 HB2 MET 63 58.642 -0.113 7.444 472 2HB MET 63 HB1 MET 63 60.192 0.697 7.671 473 1HG MET 63 HG2 MET 63 60.105 0.091 9.838 474 2HG MET 63 HG1 MET 63 58.748 1.201 10.029 475 1HE MET 63 HE1 MET 63 57.615 0.545 11.506 476 2HE MET 63 HE2 MET 63 57.415 -1.104 12.095 477 3HE MET 63 HE3 MET 63 56.148 -0.366 11.118 478 H ARG 64 HN ARG 64 57.901 2.950 10.033 479 HA ARG 64 HA ARG 64 55.289 1.704 10.293 480 1HB ARG 64 HB2 ARG 64 57.118 3.115 11.985 481 2HB ARG 64 HB1 ARG 64 55.547 3.913 12.084 482 1HG ARG 64 HG2 ARG 64 54.941 1.182 12.118 483 2HG ARG 64 HG1 ARG 64 56.365 1.331 13.149 484 1HD ARG 64 HD2 ARG 64 54.670 3.524 13.765 485 2HD ARG 64 HD1 ARG 64 53.653 2.084 13.730 486 HE ARG 64 HE ARG 64 54.616 1.643 15.830 487 1HH1 ARG 64 HH21 ARG 64 56.475 4.153 15.097 488 2HH1 ARG 64 HH22 ARG 64 58.003 3.471 15.543 489 1HH2 ARG 64 HH11 ARG 64 56.788 0.232 15.785 490 2HH2 ARG 64 HH12 ARG 64 58.181 1.252 15.932 491 H MET 65 HN MET 65 56.491 4.741 9.064 492 HA MET 65 HA MET 65 53.784 5.933 9.029 493 1HB MET 65 HB2 MET 65 55.745 7.357 9.564 494 2HB MET 65 HB1 MET 65 56.418 7.007 7.972 495 1HG MET 65 HG2 MET 65 53.700 7.866 7.649 496 2HG MET 65 HG1 MET 65 54.546 9.035 8.663 497 1HE MET 65 HE1 MET 65 55.446 11.271 6.085 498 2HE MET 65 HE2 MET 65 56.398 10.875 7.514 499 3HE MET 65 HE3 MET 65 54.639 10.835 7.597 500 H LEU 66 HN LEU 66 56.161 4.537 6.819 501 HA LEU 66 HA LEU 66 54.742 5.270 4.405 502 1HB LEU 66 HB2 LEU 66 56.826 3.146 4.980 503 2HB LEU 66 HB1 LEU 66 56.198 3.483 3.366 504 HG LEU 66 HG LEU 66 57.284 5.723 5.054 505 1HD1 LEU 66 HD11 LEU 66 59.134 4.517 3.097 506 2HD1 LEU 66 HD12 LEU 66 58.833 3.525 4.524 507 3HD1 LEU 66 HD13 LEU 66 59.462 5.163 4.705 508 1HD2 LEU 66 HD21 LEU 66 57.465 5.320 2.069 509 2HD2 LEU 66 HD22 LEU 66 57.506 6.830 2.978 510 3HD2 LEU 66 HD23 LEU 66 55.992 5.943 2.812 511 H LYS 67 HN LYS 67 54.198 2.919 6.829 512 HA LYS 67 HA LYS 67 53.037 0.805 5.322 513 1HB LYS 67 HB2 LYS 67 53.538 0.667 7.753 514 2HB LYS 67 HB1 LYS 67 52.219 1.794 8.068 515 1HG LYS 67 HG2 LYS 67 51.012 -0.135 8.311 516 2HG LYS 67 HG1 LYS 67 50.909 -0.026 6.553 517 1HD LYS 67 HD2 LYS 67 52.143 -1.893 6.290 518 2HD LYS 67 HD1 LYS 67 53.395 -1.284 7.372 519 1HE LYS 67 HE2 LYS 67 52.667 -3.114 8.593 520 2HE LYS 67 HE1 LYS 67 51.596 -1.869 9.235 521 1HZ LYS 67 HZ1 LYS 67 50.788 -3.377 6.847 522 2HZ LYS 67 HZ2 LYS 67 49.822 -2.639 8.033 523 3HZ LYS 67 HZ3 LYS 67 50.624 -4.097 8.373 524 H LEU 68 HN LEU 68 51.360 3.479 6.991 525 HA LEU 68 HA LEU 68 48.897 2.945 5.505 526 1HB LEU 68 HB2 LEU 68 49.707 5.150 7.421 527 2HB LEU 68 HB1 LEU 68 48.108 5.041 6.683 528 HG LEU 68 HG LEU 68 49.346 2.775 8.262 529 1HD1 LEU 68 HD11 LEU 68 48.832 3.845 10.173 530 2HD1 LEU 68 HD12 LEU 68 47.169 4.052 9.625 531 3HD1 LEU 68 HD13 LEU 68 48.383 5.271 9.238 532 1HD2 LEU 68 HD21 LEU 68 46.474 3.395 7.499 533 2HD2 LEU 68 HD22 LEU 68 47.052 1.941 8.313 534 3HD2 LEU 68 HD23 LEU 68 47.511 2.256 6.639 535 H ASP 69 HN ASP 69 50.693 3.323 3.559 536 HA ASP 69 HA ASP 69 51.263 5.982 2.743 537 1HB ASP 69 HB2 ASP 69 51.168 3.322 1.462 538 2HB ASP 69 HB1 ASP 69 50.906 4.675 0.361 539 H THR 70 HN THR 70 49.063 4.184 0.674 540 HA THR 70 HA THR 70 46.774 5.901 1.293 541 HB THR 70 HB THR 70 47.466 6.171 -1.552 542 HG1 THR 70 HG1 THR 70 48.915 7.843 0.130 543 1HG2 THR 70 HG21 THR 70 46.807 8.508 -1.077 544 2HG2 THR 70 HG22 THR 70 46.739 8.129 0.644 545 3HG2 THR 70 HG23 THR 70 45.609 7.364 -0.473 546 H ARG 71 HN ARG 71 45.458 5.545 -1.214 547 HA ARG 71 HA ARG 71 44.124 3.936 -2.283 548 1HB ARG 71 HB2 ARG 71 46.789 3.193 -2.632 549 2HB ARG 71 HB1 ARG 71 46.011 1.718 -2.056 550 1HG ARG 71 HG2 ARG 71 45.315 1.423 -4.186 551 2HG ARG 71 HG1 ARG 71 44.180 2.738 -3.879 552 1HD ARG 71 HD2 ARG 71 46.790 3.820 -4.464 553 2HD ARG 71 HD1 ARG 71 46.302 2.713 -5.747 554 HE ARG 71 HE ARG 71 44.144 4.504 -5.032 555 1HH1 ARG 71 HH21 ARG 71 46.933 5.909 -5.621 556 2HH1 ARG 71 HH22 ARG 71 46.643 6.400 -7.256 557 1HH2 ARG 71 HH11 ARG 71 43.833 4.403 -7.637 558 2HH2 ARG 71 HH12 ARG 71 44.888 5.547 -8.398 559 H ILE 72 HN ILE 72 44.152 4.131 0.698 560 HA ILE 72 HA ILE 72 42.908 1.477 1.214 561 HB ILE 72 HB ILE 72 43.956 1.709 3.590 562 1HG1 ILE 72 HG12 ILE 72 46.332 2.919 2.388 563 2HG1 ILE 72 HG11 ILE 72 44.965 4.033 2.429 564 1HG2 ILE 72 HG21 ILE 72 44.523 -0.061 1.952 565 2HG2 ILE 72 HG22 ILE 72 45.947 0.466 2.848 566 3HG2 ILE 72 HG23 ILE 72 45.690 1.023 1.195 567 1HD1 ILE 72 HD11 ILE 72 44.656 3.550 4.839 568 2HD1 ILE 72 HD12 ILE 72 46.262 4.201 4.511 569 3HD1 ILE 72 HD13 ILE 72 46.051 2.472 4.792 570 H LYS 73 HN LYS 73 41.951 4.291 0.718 571 HA LYS 73 HA LYS 73 40.738 4.940 3.353 572 1HB LYS 73 HB2 LYS 73 41.260 6.427 0.832 573 2HB LYS 73 HB1 LYS 73 39.789 6.860 1.704 574 1HG LYS 73 HG2 LYS 73 41.066 8.119 3.067 575 2HG LYS 73 HG1 LYS 73 41.762 6.621 3.686 576 1HD LYS 73 HD2 LYS 73 43.223 6.829 1.454 577 2HD LYS 73 HD1 LYS 73 42.868 8.541 1.687 578 1HE LYS 73 HE2 LYS 73 44.387 6.666 3.478 579 2HE LYS 73 HE1 LYS 73 44.824 8.288 2.941 580 1HZ LYS 73 HZ1 LYS 73 42.937 7.475 5.046 581 2HZ LYS 73 HZ2 LYS 73 42.720 8.962 4.255 582 3HZ LYS 73 HZ3 LYS 73 44.161 8.647 5.098 583 H THR 74 HN THR 74 39.290 3.072 3.334 584 HA THR 74 HA THR 74 37.514 2.269 1.365 585 HB THR 74 HB THR 74 37.513 1.098 3.458 586 HG1 THR 74 HG1 THR 74 35.395 0.853 3.633 587 1HG2 THR 74 HG21 THR 74 38.158 3.046 4.854 588 2HG2 THR 74 HG22 THR 74 36.813 2.148 5.557 589 3HG2 THR 74 HG23 THR 74 36.514 3.668 4.715 590 H ARG 75 HN ARG 75 37.445 5.237 3.217 591 HA ARG 75 HA ARG 75 36.128 7.161 2.950 592 1HB ARG 75 HB2 ARG 75 36.592 6.492 0.469 593 2HB ARG 75 HB1 ARG 75 34.920 5.929 0.481 594 1HG ARG 75 HG2 ARG 75 34.138 8.141 1.155 595 2HG ARG 75 HG1 ARG 75 35.800 8.722 1.271 596 1HD ARG 75 HD2 ARG 75 35.006 7.489 -1.317 597 2HD ARG 75 HD1 ARG 75 34.299 9.061 -0.944 598 HE ARG 75 HE ARG 75 36.968 8.676 -1.811 599 1HH1 ARG 75 HH21 ARG 75 34.910 10.716 -0.046 600 2HH1 ARG 75 HH22 ARG 75 36.167 11.775 0.501 601 1HH2 ARG 75 HH11 ARG 75 38.731 9.830 -0.790 602 2HH2 ARG 75 HH12 ARG 75 38.330 11.273 0.080 603 H LYS 76 HN LYS 76 34.950 6.261 4.857 604 HA LYS 76 HA LYS 76 32.105 6.223 4.386 605 1HB LYS 76 HB2 LYS 76 33.500 3.678 4.341 606 2HB LYS 76 HB1 LYS 76 32.349 3.738 5.677 607 1HG LYS 76 HG2 LYS 76 30.522 3.949 4.279 608 2HG LYS 76 HG1 LYS 76 31.449 4.760 3.017 609 1HD LYS 76 HD2 LYS 76 31.988 2.806 2.005 610 2HD LYS 76 HD1 LYS 76 32.358 2.018 3.539 611 1HE LYS 76 HE2 LYS 76 29.839 1.903 3.936 612 2HE LYS 76 HE1 LYS 76 29.647 2.370 2.246 613 1HZ LYS 76 HZ1 LYS 76 30.826 0.448 1.547 614 2HZ LYS 76 HZ2 LYS 76 29.642 -0.067 2.651 615 3HZ LYS 76 HZ3 LYS 76 31.266 0.051 3.136 616 H ASN 77 HN ASN 77 34.021 4.446 6.820 617 HA ASN 77 HA ASN 77 33.398 6.575 8.797 618 1HB ASN 77 HB2 ASN 77 31.563 5.018 9.073 619 2HB ASN 77 HB1 ASN 77 32.673 3.647 9.095 620 1HD2 ASN 77 HD21 ASN 77 32.897 6.821 10.789 621 2HD2 ASN 77 HD22 ASN 77 32.995 6.149 12.345 Start of MODEL 25 1 1H MET 1 HT1 MET 1 72.278 -12.311 -19.841 2 2H MET 1 HT2 MET 1 70.802 -12.919 -19.258 3 3H MET 1 HT3 MET 1 72.269 -13.607 -18.746 4 HA MET 1 HA MET 1 72.057 -12.297 -16.965 5 1HB MET 1 HB2 MET 1 73.166 -10.687 -19.190 6 2HB MET 1 HB1 MET 1 72.625 -9.762 -17.788 7 1HG MET 1 HG2 MET 1 74.024 -11.102 -16.309 8 2HG MET 1 HG1 MET 1 74.494 -12.146 -17.650 9 1HE MET 1 HE1 MET 1 76.997 -11.895 -18.108 10 2HE MET 1 HE2 MET 1 77.320 -10.628 -19.288 11 3HE MET 1 HE3 MET 1 75.906 -11.661 -19.481 12 H ASP 2 HN ASP 2 69.949 -12.189 -16.228 13 HA ASP 2 HA ASP 2 67.767 -10.946 -17.534 14 1HB ASP 2 HB2 ASP 2 68.040 -12.386 -15.243 15 2HB ASP 2 HB1 ASP 2 67.798 -10.772 -14.575 16 H ARG 3 HN ARG 3 67.034 -8.833 -17.598 17 HA ARG 3 HA ARG 3 68.884 -6.703 -17.135 18 1HB ARG 3 HB2 ARG 3 65.879 -6.698 -17.533 19 2HB ARG 3 HB1 ARG 3 66.856 -5.231 -17.469 20 1HG ARG 3 HG2 ARG 3 67.475 -7.491 -19.378 21 2HG ARG 3 HG1 ARG 3 66.385 -6.172 -19.805 22 1HD ARG 3 HD2 ARG 3 68.277 -4.588 -19.106 23 2HD ARG 3 HD1 ARG 3 69.323 -6.008 -19.115 24 HE ARG 3 HE ARG 3 67.762 -5.369 -21.567 25 1HH1 ARG 3 HH11 ARG 3 70.647 -4.572 -20.024 26 2HH1 ARG 3 HH12 ARG 3 71.675 -5.003 -21.350 27 1HH2 ARG 3 HH21 ARG 3 69.117 -6.412 -23.220 28 2HH2 ARG 3 HH22 ARG 3 70.809 -6.044 -23.160 29 H PHE 4 HN PHE 4 69.602 -6.690 -14.977 30 HA PHE 4 HA PHE 4 67.667 -5.580 -13.041 31 1HB PHE 4 HB2 PHE 4 67.507 -8.008 -12.671 32 2HB PHE 4 HB1 PHE 4 69.259 -8.104 -12.491 33 HD1 PHE 4 HD1 PHE 4 69.526 -8.740 -10.221 34 HD2 PHE 4 HD2 PHE 4 66.969 -5.442 -11.238 35 HE1 PHE 4 HE1 PHE 4 69.313 -8.166 -7.819 36 HE2 PHE 4 HE2 PHE 4 66.756 -4.867 -8.835 37 HZ PHE 4 HZ PHE 4 67.928 -6.229 -7.125 38 H HIS 5 HN HIS 5 69.672 -4.153 -14.203 39 HA HIS 5 HA HIS 5 71.704 -3.970 -12.015 40 1HB HIS 5 HB2 HIS 5 72.138 -4.456 -14.794 41 2HB HIS 5 HB1 HIS 5 72.727 -2.833 -14.434 42 HD1 HIS 5 HD1 HIS 5 73.992 -6.094 -14.552 43 HD2 HIS 5 HD2 HIS 5 74.236 -3.088 -11.674 44 HE1 HIS 5 HE1 HIS 5 75.989 -6.654 -13.099 45 H ALA 6 HN ALA 6 69.781 -2.471 -11.333 46 HA ALA 6 HA ALA 6 70.133 0.207 -12.616 47 1HB ALA 6 HB1 ALA 6 67.859 -0.482 -10.769 48 2HB ALA 6 HB2 ALA 6 67.802 -0.973 -12.461 49 3HB ALA 6 HB3 ALA 6 67.922 0.736 -12.043 50 H THR 7 HN THR 7 70.847 -1.623 -9.857 51 HA THR 7 HA THR 7 71.420 0.886 -8.334 52 HB THR 7 HB THR 7 71.057 -0.544 -6.255 53 HG1 THR 7 HG1 THR 7 71.124 -2.519 -7.572 54 1HG2 THR 7 HG21 THR 7 68.450 -0.536 -7.648 55 2HG2 THR 7 HG22 THR 7 69.327 0.994 -7.691 56 3HG2 THR 7 HG23 THR 7 68.926 0.250 -6.143 57 H SER 8 HN SER 8 73.471 0.987 -7.419 58 HA SER 8 HA SER 8 75.327 -1.195 -8.198 59 1HB SER 8 HB2 SER 8 75.841 1.611 -7.173 60 2HB SER 8 HB1 SER 8 77.103 0.456 -7.594 61 HG SER 8 HG SER 8 76.162 2.091 -9.228 62 H ALA 9 HN ALA 9 74.082 0.487 -5.360 63 HA ALA 9 HA ALA 9 75.821 -1.100 -3.571 64 1HB ALA 9 HB1 ALA 9 73.641 0.540 -2.417 65 2HB ALA 9 HB2 ALA 9 74.844 1.432 -3.349 66 3HB ALA 9 HB3 ALA 9 75.344 0.455 -1.968 67 H ASP 10 HN ASP 10 74.967 -2.621 -2.055 68 HA ASP 10 HA ASP 10 72.101 -3.314 -2.250 69 1HB ASP 10 HB2 ASP 10 74.126 -4.729 -3.705 70 2HB ASP 10 HB1 ASP 10 73.512 -5.782 -2.430 71 H CYS 11 HN CYS 11 75.282 -4.178 -0.885 72 HA CYS 11 HA CYS 11 74.048 -5.419 1.463 73 1HB CYS 11 HB2 CYS 11 76.944 -4.626 1.042 74 2HB CYS 11 HB1 CYS 11 76.322 -5.778 2.223 75 H CYS 12 HN CYS 12 73.681 -4.435 3.421 76 HA CYS 12 HA CYS 12 74.395 -1.540 3.609 77 1HB CYS 12 HB2 CYS 12 72.078 -3.168 4.563 78 2HB CYS 12 HB1 CYS 12 72.579 -1.797 5.553 79 H ILE 13 HN ILE 13 75.394 -0.780 5.521 80 HA ILE 13 HA ILE 13 76.349 -2.920 7.384 81 HB ILE 13 HB ILE 13 77.917 -0.425 6.718 82 1HG1 ILE 13 HG12 ILE 13 78.348 -3.137 5.449 83 2HG1 ILE 13 HG11 ILE 13 77.378 -1.885 4.673 84 1HG2 ILE 13 HG21 ILE 13 79.607 -2.557 7.300 85 2HG2 ILE 13 HG22 ILE 13 78.246 -2.797 8.397 86 3HG2 ILE 13 HG23 ILE 13 79.140 -1.276 8.419 87 1HD1 ILE 13 HD11 ILE 13 80.277 -2.105 4.881 88 2HD1 ILE 13 HD12 ILE 13 79.694 -0.549 5.473 89 3HD1 ILE 13 HD13 ILE 13 79.307 -1.069 3.833 90 H SER 14 HN SER 14 74.602 -0.051 7.060 91 HA SER 14 HA SER 14 74.395 0.203 9.978 92 1HB SER 14 HB2 SER 14 76.037 2.019 8.377 93 2HB SER 14 HB1 SER 14 74.778 2.863 9.274 94 HG SER 14 HG SER 14 76.824 2.463 10.408 95 H TYR 15 HN TYR 15 72.201 0.176 10.133 96 HA TYR 15 HA TYR 15 70.543 1.384 8.022 97 1HB TYR 15 HB2 TYR 15 69.479 0.294 10.619 98 2HB TYR 15 HB1 TYR 15 68.728 0.284 9.023 99 HD1 TYR 15 HD1 TYR 15 71.046 -0.662 7.375 100 HD2 TYR 15 HD2 TYR 15 69.540 -2.021 11.162 101 HE1 TYR 15 HE1 TYR 15 71.990 -2.914 6.943 102 HE2 TYR 15 HE2 TYR 15 70.483 -4.273 10.729 103 HH TYR 15 HH TYR 15 72.710 -5.018 8.933 104 H THR 16 HN THR 16 68.746 2.903 8.711 105 HA THR 16 HA THR 16 69.878 5.142 10.156 106 HB THR 16 HB THR 16 68.283 5.399 8.260 107 HG1 THR 16 HG1 THR 16 68.528 6.962 10.024 108 1HG2 THR 16 HG21 THR 16 66.873 3.407 9.142 109 2HG2 THR 16 HG22 THR 16 66.019 4.775 8.427 110 3HG2 THR 16 HG23 THR 16 66.103 4.606 10.181 111 HA PRO 17 HA PRO 17 68.404 3.500 14.075 112 1HB PRO 17 HB2 PRO 17 69.894 5.230 15.605 113 2HB PRO 17 HB1 PRO 17 70.549 3.746 14.890 114 1HG PRO 17 HG2 PRO 17 70.979 6.576 14.061 115 2HG PRO 17 HG1 PRO 17 72.022 5.165 13.819 116 1HD PRO 17 HD2 PRO 17 70.330 6.343 11.871 117 2HD PRO 17 HD1 PRO 17 71.143 4.769 11.742 118 H ARG 18 HN ARG 18 66.450 4.916 12.948 119 HA ARG 18 HA ARG 18 65.589 6.759 15.076 120 1HB ARG 18 HB2 ARG 18 66.310 7.639 12.311 121 2HB ARG 18 HB1 ARG 18 64.889 8.366 13.060 122 1HG ARG 18 HG2 ARG 18 67.599 8.231 14.407 123 2HG ARG 18 HG1 ARG 18 67.042 9.621 13.476 124 1HD ARG 18 HD2 ARG 18 65.327 10.118 15.004 125 2HD ARG 18 HD1 ARG 18 65.352 8.499 15.702 126 HE ARG 18 HE ARG 18 67.878 9.828 16.121 127 1HH1 ARG 18 HH11 ARG 18 64.617 10.406 16.938 128 2HH1 ARG 18 HH12 ARG 18 64.924 10.633 18.627 129 1HH2 ARG 18 HH21 ARG 18 68.283 9.803 18.400 130 2HH2 ARG 18 HH22 ARG 18 66.999 10.292 19.455 131 H SER 19 HN SER 19 63.258 7.348 14.776 132 HA SER 19 HA SER 19 61.811 5.069 13.567 133 1HB SER 19 HB2 SER 19 60.863 7.366 15.304 134 2HB SER 19 HB1 SER 19 59.837 6.053 14.735 135 HG SER 19 HG SER 19 61.180 4.607 15.851 136 H ILE 20 HN ILE 20 61.468 5.353 11.398 137 HA ILE 20 HA ILE 20 60.764 8.067 10.415 138 HB ILE 20 HB ILE 20 61.622 5.518 9.031 139 1HG1 ILE 20 HG12 ILE 20 63.127 7.730 8.199 140 2HG1 ILE 20 HG11 ILE 20 62.895 7.977 9.931 141 1HG2 ILE 20 HG21 ILE 20 60.601 6.191 7.144 142 2HG2 ILE 20 HG22 ILE 20 61.471 7.723 7.220 143 3HG2 ILE 20 HG23 ILE 20 59.902 7.561 8.006 144 1HD1 ILE 20 HD11 ILE 20 64.506 5.961 8.535 145 2HD1 ILE 20 HD12 ILE 20 63.457 5.275 9.776 146 3HD1 ILE 20 HD13 ILE 20 64.619 6.533 10.199 147 HA PRO 21 HA PRO 21 56.532 6.749 10.237 148 1HB PRO 21 HB2 PRO 21 55.583 8.976 8.933 149 2HB PRO 21 HB1 PRO 21 55.968 8.943 10.663 150 1HG PRO 21 HG2 PRO 21 57.494 10.189 8.424 151 2HG PRO 21 HG1 PRO 21 57.458 10.630 10.139 152 1HD PRO 21 HD2 PRO 21 59.511 9.173 8.849 153 2HD PRO 21 HD1 PRO 21 59.288 9.331 10.604 154 H CYS 22 HN CYS 22 55.336 5.613 8.701 155 HA CYS 22 HA CYS 22 56.483 5.009 6.157 156 1HB CYS 22 HB2 CYS 22 53.643 4.632 7.152 157 2HB CYS 22 HB1 CYS 22 54.335 3.859 5.731 158 H SER 23 HN SER 23 53.833 7.186 7.120 159 HA SER 23 HA SER 23 52.848 7.951 4.629 160 1HB SER 23 HB2 SER 23 51.730 9.036 6.334 161 2HB SER 23 HB1 SER 23 53.207 9.361 7.236 162 HG SER 23 HG SER 23 51.943 10.838 5.297 163 H LEU 24 HN LEU 24 55.980 8.625 6.004 164 HA LEU 24 HA LEU 24 56.569 10.612 3.878 165 1HB LEU 24 HB2 LEU 24 57.548 10.103 6.552 166 2HB LEU 24 HB1 LEU 24 58.889 10.100 5.405 167 HG LEU 24 HG LEU 24 56.830 12.291 5.788 168 1HD1 LEU 24 HD11 LEU 24 58.371 12.939 7.319 169 2HD1 LEU 24 HD12 LEU 24 59.375 13.360 5.932 170 3HD1 LEU 24 HD13 LEU 24 59.570 11.793 6.718 171 1HD2 LEU 24 HD21 LEU 24 59.004 12.995 4.042 172 2HD2 LEU 24 HD22 LEU 24 57.275 12.990 3.693 173 3HD2 LEU 24 HD23 LEU 24 58.231 11.532 3.432 174 H LEU 25 HN LEU 25 56.235 7.566 3.561 175 HA LEU 25 HA LEU 25 58.819 7.162 2.114 176 1HB LEU 25 HB2 LEU 25 57.233 5.060 3.624 177 2HB LEU 25 HB1 LEU 25 58.698 4.764 2.686 178 HG LEU 25 HG LEU 25 58.489 6.579 5.107 179 1HD1 LEU 25 HD11 LEU 25 58.768 4.655 6.254 180 2HD1 LEU 25 HD12 LEU 25 60.376 4.560 5.536 181 3HD1 LEU 25 HD13 LEU 25 59.019 3.735 4.771 182 1HD2 LEU 25 HD21 LEU 25 61.158 6.069 4.592 183 2HD2 LEU 25 HD22 LEU 25 60.306 7.550 4.155 184 3HD2 LEU 25 HD23 LEU 25 60.483 6.252 2.973 185 H GLU 26 HN GLU 26 58.623 6.171 0.076 186 HA GLU 26 HA GLU 26 55.848 6.089 -0.987 187 1HB GLU 26 HB2 GLU 26 58.039 7.287 -2.020 188 2HB GLU 26 HB1 GLU 26 58.177 5.707 -2.794 189 1HG GLU 26 HG2 GLU 26 56.435 6.126 -4.168 190 2HG GLU 26 HG1 GLU 26 55.437 6.711 -2.836 191 H SER 27 HN SER 27 58.834 4.126 -0.950 192 HA SER 27 HA SER 27 57.184 1.685 -0.939 193 1HB SER 27 HB2 SER 27 59.159 1.176 -2.904 194 2HB SER 27 HB1 SER 27 57.413 1.241 -3.132 195 HG SER 27 HG SER 27 58.785 2.754 -4.392 196 H TYR 28 HN TYR 28 59.066 -0.228 -1.262 197 HA TYR 28 HA TYR 28 61.605 0.383 -0.026 198 1HB TYR 28 HB2 TYR 28 61.264 -0.609 2.147 199 2HB TYR 28 HB1 TYR 28 60.012 0.613 1.925 200 HD1 TYR 28 HD1 TYR 28 60.564 -2.649 3.011 201 HD2 TYR 28 HD2 TYR 28 57.847 -0.360 0.597 202 HE1 TYR 28 HE1 TYR 28 58.814 -4.376 3.342 203 HE2 TYR 28 HE2 TYR 28 56.098 -2.087 0.926 204 HH TYR 28 HH TYR 28 56.698 -5.131 1.980 205 H PHE 29 HN PHE 29 62.879 -1.617 0.314 206 HA PHE 29 HA PHE 29 61.710 -4.122 -0.712 207 1HB PHE 29 HB2 PHE 29 63.851 -4.191 -2.295 208 2HB PHE 29 HB1 PHE 29 62.346 -3.447 -2.835 209 HD1 PHE 29 HD1 PHE 29 62.051 -0.943 -2.593 210 HD2 PHE 29 HD2 PHE 29 65.831 -2.899 -2.009 211 HE1 PHE 29 HE1 PHE 29 63.217 1.230 -2.859 212 HE2 PHE 29 HE2 PHE 29 66.996 -0.726 -2.275 213 HZ PHE 29 HZ PHE 29 65.689 1.338 -2.700 214 H GLU 30 HN GLU 30 63.530 -5.870 -0.704 215 HA GLU 30 HA GLU 30 65.097 -5.462 1.794 216 1HB GLU 30 HB2 GLU 30 64.550 -8.047 0.306 217 2HB GLU 30 HB1 GLU 30 65.202 -7.878 1.937 218 1HG GLU 30 HG2 GLU 30 63.075 -6.737 2.612 219 2HG GLU 30 HG1 GLU 30 62.427 -7.088 1.009 220 H THR 31 HN THR 31 67.328 -6.397 1.820 221 HA THR 31 HA THR 31 68.770 -5.596 -0.604 222 HB THR 31 HB THR 31 70.792 -6.242 0.781 223 HG1 THR 31 HG1 THR 31 69.997 -7.724 2.165 224 1HG2 THR 31 HG21 THR 31 69.428 -4.489 2.647 225 2HG2 THR 31 HG22 THR 31 69.065 -4.043 0.980 226 3HG2 THR 31 HG23 THR 31 70.740 -4.120 1.527 227 H ASN 32 HN ASN 32 70.757 -7.243 -1.072 228 HA ASN 32 HA ASN 32 69.469 -9.647 -2.110 229 1HB ASN 32 HB2 ASN 32 71.813 -8.146 -2.690 230 2HB ASN 32 HB1 ASN 32 72.334 -9.781 -2.281 231 1HD2 ASN 32 HD21 ASN 32 72.287 -8.516 -4.993 232 2HD2 ASN 32 HD22 ASN 32 71.284 -9.502 -5.943 233 H SER 33 HN SER 33 69.330 -11.559 -1.043 234 HA SER 33 HA SER 33 70.160 -11.962 1.615 235 1HB SER 33 HB2 SER 33 70.211 -14.472 0.205 236 2HB SER 33 HB1 SER 33 68.996 -13.865 1.327 237 HG SER 33 HG SER 33 67.884 -13.003 -0.329 238 H GLU 34 HN GLU 34 72.008 -12.124 -1.311 239 HA GLU 34 HA GLU 34 74.119 -13.838 -0.358 240 1HB GLU 34 HB2 GLU 34 74.076 -11.693 -2.499 241 2HB GLU 34 HB1 GLU 34 75.448 -12.763 -2.209 242 1HG GLU 34 HG2 GLU 34 74.407 -14.100 -3.735 243 2HG GLU 34 HG1 GLU 34 73.422 -14.577 -2.351 244 H CYS 35 HN CYS 35 73.427 -10.411 -0.026 245 HA CYS 35 HA CYS 35 75.974 -9.471 0.768 246 1HB CYS 35 HB2 CYS 35 73.163 -8.649 1.481 247 2HB CYS 35 HB1 CYS 35 74.550 -7.844 2.216 248 H SER 36 HN SER 36 76.950 -9.283 2.852 249 HA SER 36 HA SER 36 76.975 -11.481 4.529 250 1HB SER 36 HB2 SER 36 77.210 -9.039 6.103 251 2HB SER 36 HB1 SER 36 78.438 -10.242 5.720 252 HG SER 36 HG SER 36 79.049 -9.091 4.040 253 H LYS 37 HN LYS 37 75.280 -8.476 5.503 254 HA LYS 37 HA LYS 37 73.299 -10.224 6.901 255 1HB LYS 37 HB2 LYS 37 74.382 -7.479 7.534 256 2HB LYS 37 HB1 LYS 37 72.864 -8.046 8.229 257 1HG LYS 37 HG2 LYS 37 73.893 -9.644 9.531 258 2HG LYS 37 HG1 LYS 37 75.212 -9.880 8.384 259 1HD LYS 37 HD2 LYS 37 74.934 -7.272 9.861 260 2HD LYS 37 HD1 LYS 37 75.722 -8.651 10.628 261 1HE LYS 37 HE2 LYS 37 77.441 -8.722 9.017 262 2HE LYS 37 HE1 LYS 37 76.518 -7.764 7.860 263 1HZ LYS 37 HZ1 LYS 37 78.220 -6.419 8.870 264 2HZ LYS 37 HZ2 LYS 37 77.659 -6.801 10.427 265 3HZ LYS 37 HZ3 LYS 37 76.699 -5.870 9.380 266 HA PRO 38 HA PRO 38 70.355 -8.519 4.070 267 1HB PRO 38 HB2 PRO 38 68.112 -9.506 5.317 268 2HB PRO 38 HB1 PRO 38 69.190 -10.495 4.316 269 1HG PRO 38 HG2 PRO 38 68.915 -10.437 7.284 270 2HG PRO 38 HG1 PRO 38 69.465 -11.753 6.234 271 1HD PRO 38 HD2 PRO 38 71.125 -10.048 7.774 272 2HD PRO 38 HD1 PRO 38 71.662 -11.152 6.490 273 H GLY 39 HN GLY 39 68.246 -7.157 4.275 274 1HA GLY 39 HA2 GLY 39 67.550 -5.845 6.677 275 2HA GLY 39 HA1 GLY 39 68.724 -4.852 5.820 276 H VAL 40 HN VAL 40 66.329 -3.685 6.096 277 HA VAL 40 HA VAL 40 64.965 -4.123 3.468 278 HB VAL 40 HB VAL 40 63.797 -2.901 5.986 279 1HG1 VAL 40 HG11 VAL 40 62.275 -2.132 4.498 280 2HG1 VAL 40 HG12 VAL 40 61.765 -3.811 4.324 281 3HG1 VAL 40 HG13 VAL 40 62.935 -3.123 3.198 282 1HG2 VAL 40 HG21 VAL 40 64.266 -5.644 5.279 283 2HG2 VAL 40 HG22 VAL 40 62.529 -5.341 5.238 284 3HG2 VAL 40 HG23 VAL 40 63.448 -5.007 6.705 285 H ILE 41 HN ILE 41 65.132 -2.452 2.053 286 HA ILE 41 HA ILE 41 66.226 0.123 3.063 287 HB ILE 41 HB ILE 41 66.009 -1.074 0.289 288 1HG1 ILE 41 HG12 ILE 41 68.495 -0.103 1.685 289 2HG1 ILE 41 HG11 ILE 41 67.842 -1.700 2.053 290 1HG2 ILE 41 HG21 ILE 41 65.578 1.325 0.124 291 2HG2 ILE 41 HG22 ILE 41 67.207 0.984 -0.461 292 3HG2 ILE 41 HG23 ILE 41 66.973 1.672 1.146 293 1HD1 ILE 41 HD11 ILE 41 69.035 -0.679 -0.493 294 2HD1 ILE 41 HD12 ILE 41 67.758 -1.892 -0.599 295 3HD1 ILE 41 HD13 ILE 41 69.239 -2.246 0.291 296 H PHE 42 HN PHE 42 64.821 1.776 3.371 297 HA PHE 42 HA PHE 42 62.161 1.624 2.038 298 1HB PHE 42 HB2 PHE 42 63.179 2.918 4.549 299 2HB PHE 42 HB1 PHE 42 61.743 3.573 3.762 300 HD1 PHE 42 HD1 PHE 42 59.675 2.292 3.628 301 HD2 PHE 42 HD2 PHE 42 63.187 0.642 5.473 302 HE1 PHE 42 HE1 PHE 42 58.305 0.472 4.608 303 HE2 PHE 42 HE2 PHE 42 61.817 -1.178 6.453 304 HZ PHE 42 HZ PHE 42 59.376 -1.263 6.021 305 H LEU 43 HN LEU 43 61.710 3.030 0.412 306 HA LEU 43 HA LEU 43 63.678 5.180 -0.156 307 1HB LEU 43 HB2 LEU 43 62.922 3.525 -1.939 308 2HB LEU 43 HB1 LEU 43 61.342 4.307 -1.874 309 HG LEU 43 HG LEU 43 62.995 6.475 -2.092 310 1HD1 LEU 43 HD11 LEU 43 64.609 4.248 -2.741 311 2HD1 LEU 43 HD12 LEU 43 64.987 5.951 -3.001 312 3HD1 LEU 43 HD13 LEU 43 64.201 5.018 -4.274 313 1HD2 LEU 43 HD21 LEU 43 60.936 5.424 -3.488 314 2HD2 LEU 43 HD22 LEU 43 62.237 5.146 -4.646 315 3HD2 LEU 43 HD23 LEU 43 61.891 6.782 -4.085 316 H THR 44 HN THR 44 63.114 7.347 -0.084 317 HA THR 44 HA THR 44 60.411 7.945 1.023 318 HB THR 44 HB THR 44 61.342 9.874 2.016 319 HG1 THR 44 HG1 THR 44 63.739 9.589 0.580 320 1HG2 THR 44 HG21 THR 44 62.372 7.471 2.627 321 2HG2 THR 44 HG22 THR 44 62.902 8.951 3.427 322 3HG2 THR 44 HG23 THR 44 63.852 8.274 2.104 323 H LYS 45 HN LYS 45 59.564 10.182 0.276 324 HA LYS 45 HA LYS 45 59.457 10.141 -2.645 325 1HB LYS 45 HB2 LYS 45 57.520 10.698 -1.046 326 2HB LYS 45 HB1 LYS 45 58.290 12.274 -0.851 327 1HG LYS 45 HG2 LYS 45 58.139 12.701 -3.239 328 2HG LYS 45 HG1 LYS 45 57.514 11.076 -3.525 329 1HD LYS 45 HD2 LYS 45 55.708 11.881 -1.714 330 2HD LYS 45 HD1 LYS 45 56.141 13.459 -2.375 331 1HE LYS 45 HE2 LYS 45 55.871 11.737 -4.597 332 2HE LYS 45 HE1 LYS 45 54.494 11.396 -3.549 333 1HZ LYS 45 HZ1 LYS 45 55.334 14.079 -4.507 334 2HZ LYS 45 HZ2 LYS 45 54.029 13.773 -3.464 335 3HZ LYS 45 HZ3 LYS 45 53.995 13.198 -5.062 336 H LYS 46 HN LYS 46 61.766 11.262 -0.637 337 HA LYS 46 HA LYS 46 62.254 13.750 -2.210 338 1HB LYS 46 HB2 LYS 46 63.708 12.875 0.295 339 2HB LYS 46 HB1 LYS 46 63.651 14.488 -0.416 340 1HG LYS 46 HG2 LYS 46 61.160 14.492 -0.005 341 2HG LYS 46 HG1 LYS 46 61.369 12.991 0.898 342 1HD LYS 46 HD2 LYS 46 63.116 15.318 1.597 343 2HD LYS 46 HD1 LYS 46 61.436 15.341 2.135 344 1HE LYS 46 HE2 LYS 46 63.161 12.909 2.572 345 2HE LYS 46 HE1 LYS 46 63.198 14.260 3.705 346 1HZ LYS 46 HZ1 LYS 46 60.857 14.039 4.063 347 2HZ LYS 46 HZ2 LYS 46 61.579 12.521 4.305 348 3HZ LYS 46 HZ3 LYS 46 60.729 12.841 2.869 349 H GLY 47 HN GLY 47 62.779 10.921 -3.087 350 1HA GLY 47 HA2 GLY 47 64.451 9.778 -4.246 351 2HA GLY 47 HA1 GLY 47 65.264 11.335 -4.369 352 H ARG 48 HN ARG 48 64.440 9.511 -1.437 353 HA ARG 48 HA ARG 48 67.365 9.164 -0.935 354 1HB ARG 48 HB2 ARG 48 65.835 11.017 0.393 355 2HB ARG 48 HB1 ARG 48 65.701 9.616 1.457 356 1HG ARG 48 HG2 ARG 48 68.358 9.541 0.895 357 2HG ARG 48 HG1 ARG 48 68.068 11.279 0.816 358 1HD ARG 48 HD2 ARG 48 66.688 10.152 3.091 359 2HD ARG 48 HD1 ARG 48 68.395 9.712 3.142 360 HE ARG 48 HE ARG 48 68.934 12.123 3.080 361 1HH1 ARG 48 HH11 ARG 48 66.233 11.073 4.733 362 2HH1 ARG 48 HH12 ARG 48 65.504 12.634 4.909 363 1HH2 ARG 48 HH21 ARG 48 67.748 14.215 2.790 364 2HH2 ARG 48 HH22 ARG 48 66.362 14.413 3.809 365 H ARG 49 HN ARG 49 67.911 7.183 -0.045 366 HA ARG 49 HA ARG 49 65.675 5.411 0.834 367 1HB ARG 49 HB2 ARG 49 67.106 3.545 -0.318 368 2HB ARG 49 HB1 ARG 49 66.050 4.547 -1.315 369 1HG ARG 49 HG2 ARG 49 67.894 5.952 -1.984 370 2HG ARG 49 HG1 ARG 49 68.974 5.173 -0.828 371 1HD ARG 49 HD2 ARG 49 68.473 2.987 -2.083 372 2HD ARG 49 HD1 ARG 49 67.787 4.005 -3.348 373 HE ARG 49 HE ARG 49 70.278 5.116 -2.927 374 1HH1 ARG 49 HH11 ARG 49 68.862 2.342 -4.291 375 2HH1 ARG 49 HH12 ARG 49 70.360 1.638 -4.801 376 1HH2 ARG 49 HH21 ARG 49 72.322 4.044 -3.258 377 2HH2 ARG 49 HH22 ARG 49 72.319 2.601 -4.216 378 H PHE 50 HN PHE 50 66.302 3.846 2.422 379 HA PHE 50 HA PHE 50 69.099 3.788 3.332 380 1HB PHE 50 HB2 PHE 50 68.391 4.419 5.690 381 2HB PHE 50 HB1 PHE 50 68.388 5.747 4.529 382 HD1 PHE 50 HD1 PHE 50 66.316 3.508 6.571 383 HD2 PHE 50 HD2 PHE 50 66.278 6.644 3.636 384 HE1 PHE 50 HE1 PHE 50 63.907 3.896 7.017 385 HE2 PHE 50 HE2 PHE 50 63.870 7.032 4.082 386 HZ PHE 50 HZ PHE 50 62.684 5.658 5.772 387 H CYS 51 HN CYS 51 69.471 2.038 4.840 388 HA CYS 51 HA CYS 51 67.542 -0.148 4.522 389 1HB CYS 51 HB2 CYS 51 70.333 0.139 5.549 390 2HB CYS 51 HB1 CYS 51 69.385 -1.231 6.124 391 H ALA 52 HN ALA 52 66.701 -1.350 6.393 392 HA ALA 52 HA ALA 52 66.682 0.130 8.964 393 1HB ALA 52 HB1 ALA 52 64.098 -0.388 8.952 394 2HB ALA 52 HB2 ALA 52 64.305 -0.383 7.200 395 3HB ALA 52 HB3 ALA 52 64.704 1.055 8.139 396 H ASN 53 HN ASN 53 65.393 -1.280 10.632 397 HA ASN 53 HA ASN 53 66.509 -3.978 10.465 398 1HB ASN 53 HB2 ASN 53 66.310 -2.440 12.556 399 2HB ASN 53 HB1 ASN 53 64.643 -3.012 12.619 400 1HD2 ASN 53 HD21 ASN 53 64.390 -4.859 13.880 401 2HD2 ASN 53 HD22 ASN 53 65.589 -6.030 14.148 402 HA PRO 54 HA PRO 54 62.712 -5.539 8.724 403 1HB PRO 54 HB2 PRO 54 63.546 -8.157 8.589 404 2HB PRO 54 HB1 PRO 54 64.004 -6.918 7.408 405 1HG PRO 54 HG2 PRO 54 65.639 -8.123 9.595 406 2HG PRO 54 HG1 PRO 54 66.165 -7.427 8.053 407 1HD PRO 54 HD2 PRO 54 66.310 -6.148 10.564 408 2HD PRO 54 HD1 PRO 54 66.470 -5.352 8.984 409 H SER 55 HN SER 55 64.050 -6.176 11.782 410 HA SER 55 HA SER 55 61.798 -7.964 12.557 411 1HB SER 55 HB2 SER 55 64.111 -7.151 14.316 412 2HB SER 55 HB1 SER 55 63.071 -8.565 14.465 413 HG SER 55 HG SER 55 64.988 -9.212 13.535 414 H ASP 56 HN ASP 56 62.401 -4.727 12.354 415 HA ASP 56 HA ASP 56 61.487 -3.825 14.950 416 1HB ASP 56 HB2 ASP 56 62.788 -2.469 13.206 417 2HB ASP 56 HB1 ASP 56 61.253 -2.291 12.355 418 H LYS 57 HN LYS 57 59.442 -4.144 15.684 419 HA LYS 57 HA LYS 57 57.273 -5.162 14.266 420 1HB LYS 57 HB2 LYS 57 55.826 -4.036 16.006 421 2HB LYS 57 HB1 LYS 57 57.158 -4.982 16.672 422 1HG LYS 57 HG2 LYS 57 58.513 -2.851 16.757 423 2HG LYS 57 HG1 LYS 57 57.044 -1.975 16.325 424 1HD LYS 57 HD2 LYS 57 56.794 -3.894 18.576 425 2HD LYS 57 HD1 LYS 57 57.771 -2.459 18.889 426 1HE LYS 57 HE2 LYS 57 55.923 -1.190 19.063 427 2HE LYS 57 HE1 LYS 57 55.392 -1.696 17.459 428 1HZ LYS 57 HZ1 LYS 57 53.941 -2.259 19.492 429 2HZ LYS 57 HZ2 LYS 57 55.069 -3.498 19.767 430 3HZ LYS 57 HZ3 LYS 57 54.191 -3.452 18.313 431 H GLN 58 HN GLN 58 58.198 -1.745 14.640 432 HA GLN 58 HA GLN 58 55.959 -0.607 13.308 433 1HB GLN 58 HB2 GLN 58 57.725 0.675 14.560 434 2HB GLN 58 HB1 GLN 58 58.819 0.395 13.205 435 1HG GLN 58 HG2 GLN 58 57.789 1.938 11.893 436 2HG GLN 58 HG1 GLN 58 56.179 1.455 12.430 437 1HE2 GLN 58 HE21 GLN 58 59.100 3.053 13.849 438 2HE2 GLN 58 HE22 GLN 58 58.216 4.210 14.722 439 H VAL 59 HN VAL 59 58.850 -2.185 12.084 440 HA VAL 59 HA VAL 59 58.480 -1.339 9.333 441 HB VAL 59 HB VAL 59 60.081 -3.564 10.616 442 1HG1 VAL 59 HG11 VAL 59 61.177 -3.521 8.232 443 2HG1 VAL 59 HG12 VAL 59 59.614 -2.879 7.726 444 3HG1 VAL 59 HG13 VAL 59 59.710 -4.466 8.490 445 1HG2 VAL 59 HG21 VAL 59 61.315 -1.368 9.050 446 2HG2 VAL 59 HG22 VAL 59 61.832 -2.090 10.573 447 3HG2 VAL 59 HG23 VAL 59 60.544 -0.885 10.560 448 H GLN 60 HN GLN 60 57.572 -4.209 11.222 449 HA GLN 60 HA GLN 60 56.495 -5.709 9.034 450 1HB GLN 60 HB2 GLN 60 55.928 -5.720 12.006 451 2HB GLN 60 HB1 GLN 60 55.125 -6.826 10.890 452 1HG GLN 60 HG2 GLN 60 57.778 -7.054 10.155 453 2HG GLN 60 HG1 GLN 60 57.877 -6.877 11.907 454 1HE2 GLN 60 HE21 GLN 60 56.270 -8.823 9.354 455 2HE2 GLN 60 HE22 GLN 60 56.030 -10.189 10.332 456 H VAL 61 HN VAL 61 55.139 -3.197 11.117 457 HA VAL 61 HA VAL 61 52.429 -3.520 10.112 458 HB VAL 61 HB VAL 61 53.786 -1.272 11.625 459 1HG1 VAL 61 HG11 VAL 61 51.965 -0.281 10.415 460 2HG1 VAL 61 HG12 VAL 61 51.382 -0.557 12.057 461 3HG1 VAL 61 HG13 VAL 61 50.910 -1.653 10.758 462 1HG2 VAL 61 HG21 VAL 61 51.691 -3.253 12.551 463 2HG2 VAL 61 HG22 VAL 61 52.668 -2.174 13.546 464 3HG2 VAL 61 HG23 VAL 61 53.421 -3.544 12.730 465 H CYS 62 HN CYS 62 55.270 -1.722 9.140 466 HA CYS 62 HA CYS 62 53.848 0.106 7.384 467 1HB CYS 62 HB2 CYS 62 56.266 0.270 8.425 468 2HB CYS 62 HB1 CYS 62 56.729 -0.622 6.975 469 H MET 63 HN MET 63 55.253 -3.104 7.053 470 HA MET 63 HA MET 63 55.459 -3.266 4.243 471 1HB MET 63 HB2 MET 63 55.423 -5.627 4.495 472 2HB MET 63 HB1 MET 63 56.104 -5.028 6.007 473 1HG MET 63 HG2 MET 63 53.580 -5.015 6.783 474 2HG MET 63 HG1 MET 63 53.386 -6.185 5.480 475 1HE MET 63 HE1 MET 63 53.030 -7.448 8.815 476 2HE MET 63 HE2 MET 63 53.251 -8.817 7.729 477 3HE MET 63 HE3 MET 63 52.410 -7.378 7.160 478 H ARG 64 HN ARG 64 52.615 -3.482 6.325 479 HA ARG 64 HA ARG 64 50.862 -4.235 4.099 480 1HB ARG 64 HB2 ARG 64 50.545 -4.814 6.604 481 2HB ARG 64 HB1 ARG 64 49.945 -3.162 6.766 482 1HG ARG 64 HG2 ARG 64 48.527 -3.915 4.606 483 2HG ARG 64 HG1 ARG 64 48.726 -5.492 5.371 484 1HD ARG 64 HD2 ARG 64 47.770 -4.659 7.448 485 2HD ARG 64 HD1 ARG 64 47.685 -3.025 6.791 486 HE ARG 64 HE ARG 64 46.200 -5.102 5.307 487 1HH1 ARG 64 HH11 ARG 64 45.579 -2.218 5.005 488 2HH1 ARG 64 HH12 ARG 64 44.182 -2.022 6.010 489 1HH2 ARG 64 HH21 ARG 64 44.676 -4.994 7.728 490 2HH2 ARG 64 HH22 ARG 64 43.671 -3.594 7.553 491 H MET 65 HN MET 65 51.581 -1.301 5.976 492 HA MET 65 HA MET 65 49.594 0.369 4.795 493 1HB MET 65 HB2 MET 65 51.036 0.915 6.813 494 2HB MET 65 HB1 MET 65 52.347 1.262 5.685 495 1HG MET 65 HG2 MET 65 51.098 3.033 4.646 496 2HG MET 65 HG1 MET 65 49.627 2.579 5.508 497 1HE MET 65 HE1 MET 65 49.073 4.508 6.096 498 2HE MET 65 HE2 MET 65 50.210 5.831 6.340 499 3HE MET 65 HE3 MET 65 49.390 5.117 7.726 500 H LEU 66 HN LEU 66 53.019 -0.133 3.890 501 HA LEU 66 HA LEU 66 52.910 1.559 1.573 502 1HB LEU 66 HB2 LEU 66 54.749 -0.627 2.515 503 2HB LEU 66 HB1 LEU 66 54.922 0.021 0.883 504 HG LEU 66 HG LEU 66 56.343 1.178 2.627 505 1HD1 LEU 66 HD11 LEU 66 54.632 3.379 1.808 506 2HD1 LEU 66 HD12 LEU 66 54.850 2.223 0.494 507 3HD1 LEU 66 HD13 LEU 66 56.256 2.966 1.257 508 1HD2 LEU 66 HD21 LEU 66 53.691 2.336 3.529 509 2HD2 LEU 66 HD22 LEU 66 55.282 2.615 4.238 510 3HD2 LEU 66 HD23 LEU 66 54.514 1.035 4.390 511 H LYS 67 HN LYS 67 50.683 0.613 0.927 512 HA LYS 67 HA LYS 67 50.379 -1.986 -0.144 513 1HB LYS 67 HB2 LYS 67 48.486 -1.111 -1.362 514 2HB LYS 67 HB1 LYS 67 48.548 -0.274 0.189 515 1HG LYS 67 HG2 LYS 67 50.191 1.167 -1.651 516 2HG LYS 67 HG1 LYS 67 48.639 0.864 -2.431 517 1HD LYS 67 HD2 LYS 67 48.512 1.717 0.408 518 2HD LYS 67 HD1 LYS 67 49.063 2.939 -0.739 519 1HE LYS 67 HE2 LYS 67 46.953 3.256 -1.447 520 2HE LYS 67 HE1 LYS 67 46.828 1.552 -1.884 521 1HZ LYS 67 HZ1 LYS 67 46.147 1.012 0.319 522 2HZ LYS 67 HZ2 LYS 67 45.172 2.296 -0.219 523 3HZ LYS 67 HZ3 LYS 67 46.444 2.589 0.869 524 H LEU 68 HN LEU 68 50.401 -2.660 -2.429 525 HA LEU 68 HA LEU 68 52.839 -2.033 -3.755 526 1HB LEU 68 HB2 LEU 68 50.302 -3.192 -4.952 527 2HB LEU 68 HB1 LEU 68 51.919 -3.298 -5.651 528 HG LEU 68 HG LEU 68 51.305 -4.329 -2.878 529 1HD1 LEU 68 HD11 LEU 68 51.614 -6.376 -4.919 530 2HD1 LEU 68 HD12 LEU 68 50.222 -5.347 -5.255 531 3HD1 LEU 68 HD13 LEU 68 50.343 -6.191 -3.711 532 1HD2 LEU 68 HD21 LEU 68 53.342 -5.686 -4.435 533 2HD2 LEU 68 HD22 LEU 68 53.494 -4.880 -2.874 534 3HD2 LEU 68 HD23 LEU 68 53.666 -3.954 -4.366 535 H ASP 69 HN ASP 69 52.818 0.329 -3.813 536 HA ASP 69 HA ASP 69 50.789 1.714 -5.385 537 1HB ASP 69 HB2 ASP 69 52.732 2.473 -3.526 538 2HB ASP 69 HB1 ASP 69 53.296 3.162 -5.049 539 H THR 70 HN THR 70 51.300 0.012 -7.206 540 HA THR 70 HA THR 70 53.708 0.472 -8.768 541 HB THR 70 HB THR 70 51.431 -0.678 -10.213 542 HG1 THR 70 HG1 THR 70 51.322 -2.509 -8.866 543 1HG2 THR 70 HG21 THR 70 53.190 -1.697 -11.165 544 2HG2 THR 70 HG22 THR 70 53.530 -2.528 -9.647 545 3HG2 THR 70 HG23 THR 70 54.263 -0.958 -9.976 546 H ARG 71 HN ARG 71 53.116 0.900 -11.308 547 HA ARG 71 HA ARG 71 52.518 2.553 -12.863 548 1HB ARG 71 HB2 ARG 71 50.208 3.082 -10.971 549 2HB ARG 71 HB1 ARG 71 50.289 3.491 -12.685 550 1HG ARG 71 HG2 ARG 71 50.254 1.188 -13.333 551 2HG ARG 71 HG1 ARG 71 50.528 0.650 -11.675 552 1HD ARG 71 HD2 ARG 71 48.258 2.197 -11.423 553 2HD ARG 71 HD1 ARG 71 48.023 1.432 -12.995 554 HE ARG 71 HE ARG 71 48.446 -0.770 -11.764 555 1HH1 ARG 71 HH11 ARG 71 48.745 1.361 -9.334 556 2HH1 ARG 71 HH12 ARG 71 47.377 0.846 -8.405 557 1HH2 ARG 71 HH21 ARG 71 46.069 -1.135 -10.933 558 2HH2 ARG 71 HH22 ARG 71 45.862 -0.566 -9.310 559 H ILE 72 HN ILE 72 52.123 5.026 -12.986 560 HA ILE 72 HA ILE 72 53.343 6.359 -10.608 561 HB ILE 72 HB ILE 72 54.651 7.765 -12.118 562 1HG1 ILE 72 HG12 ILE 72 54.224 6.274 -14.569 563 2HG1 ILE 72 HG11 ILE 72 52.709 6.977 -14.000 564 1HG2 ILE 72 HG21 ILE 72 55.748 5.724 -11.461 565 2HG2 ILE 72 HG22 ILE 72 56.071 5.955 -13.179 566 3HG2 ILE 72 HG23 ILE 72 54.852 4.792 -12.659 567 1HD1 ILE 72 HD11 ILE 72 54.977 8.817 -13.761 568 2HD1 ILE 72 HD12 ILE 72 53.387 9.083 -14.477 569 3HD1 ILE 72 HD13 ILE 72 54.666 8.324 -15.426 570 H LYS 73 HN LYS 73 53.166 8.868 -12.396 571 HA LYS 73 HA LYS 73 50.589 9.739 -11.427 572 1HB LYS 73 HB2 LYS 73 52.875 10.917 -12.840 573 2HB LYS 73 HB1 LYS 73 51.324 11.576 -13.362 574 1HG LYS 73 HG2 LYS 73 50.739 11.920 -10.936 575 2HG LYS 73 HG1 LYS 73 52.390 11.454 -10.528 576 1HD LYS 73 HD2 LYS 73 52.521 13.799 -10.649 577 2HD LYS 73 HD1 LYS 73 53.088 13.287 -12.239 578 1HE LYS 73 HE2 LYS 73 50.331 13.433 -12.556 579 2HE LYS 73 HE1 LYS 73 50.699 14.816 -11.526 580 1HZ LYS 73 HZ1 LYS 73 50.852 15.205 -13.989 581 2HZ LYS 73 HZ2 LYS 73 52.227 14.206 -13.989 582 3HZ LYS 73 HZ3 LYS 73 52.221 15.649 -13.092 583 H THR 74 HN THR 74 48.828 8.715 -12.324 584 HA THR 74 HA THR 74 48.208 9.274 -15.120 585 HB THR 74 HB THR 74 49.615 7.261 -15.374 586 HG1 THR 74 HG1 THR 74 46.826 6.906 -15.709 587 1HG2 THR 74 HG21 THR 74 49.574 5.947 -13.506 588 2HG2 THR 74 HG22 THR 74 48.258 5.145 -14.364 589 3HG2 THR 74 HG23 THR 74 47.899 6.355 -13.132 590 H ARG 75 HN ARG 75 45.959 8.859 -15.576 591 HA ARG 75 HA ARG 75 44.321 8.702 -13.115 592 1HB ARG 75 HB2 ARG 75 43.492 9.280 -15.977 593 2HB ARG 75 HB1 ARG 75 42.485 9.475 -14.541 594 1HG ARG 75 HG2 ARG 75 44.584 10.962 -13.769 595 2HG ARG 75 HG1 ARG 75 44.743 11.158 -15.515 596 1HD ARG 75 HD2 ARG 75 42.413 11.920 -15.662 597 2HD ARG 75 HD1 ARG 75 42.213 11.682 -13.926 598 HE ARG 75 HE ARG 75 44.378 13.518 -14.729 599 1HH1 ARG 75 HH11 ARG 75 41.208 14.022 -15.169 600 2HH1 ARG 75 HH12 ARG 75 40.978 15.185 -13.906 601 1HH2 ARG 75 HH21 ARG 75 44.064 14.596 -12.439 602 2HH2 ARG 75 HH22 ARG 75 42.595 15.510 -12.361 603 H LYS 76 HN LYS 76 44.959 6.901 -16.075 604 HA LYS 76 HA LYS 76 43.939 4.459 -14.936 605 1HB LYS 76 HB2 LYS 76 41.765 5.503 -15.404 606 2HB LYS 76 HB1 LYS 76 42.247 5.784 -17.078 607 1HG LYS 76 HG2 LYS 76 41.399 3.753 -17.563 608 2HG LYS 76 HG1 LYS 76 42.740 3.060 -16.649 609 1HD LYS 76 HD2 LYS 76 41.312 3.405 -14.558 610 2HD LYS 76 HD1 LYS 76 39.965 3.726 -15.650 611 1HE LYS 76 HE2 LYS 76 39.680 1.527 -16.044 612 2HE LYS 76 HE1 LYS 76 41.381 1.337 -16.471 613 1HZ LYS 76 HZ1 LYS 76 40.151 1.197 -13.781 614 2HZ LYS 76 HZ2 LYS 76 41.826 1.367 -14.010 615 3HZ LYS 76 HZ3 LYS 76 41.021 -0.010 -14.597 616 H ASN 77 HN ASN 77 44.262 6.056 -18.131 617 HA ASN 77 HA ASN 77 46.336 4.068 -18.843 618 1HB ASN 77 HB2 ASN 77 43.746 4.443 -20.372 619 2HB ASN 77 HB1 ASN 77 45.165 3.639 -21.043 620 1HD2 ASN 77 HD21 ASN 77 45.703 1.515 -20.242 621 2HD2 ASN 77 HD22 ASN 77 44.678 0.653 -19.200 Start of MODEL 26 1 1H MET 1 HT1 MET 1 45.204 9.111 -10.233 2 2H MET 1 HT2 MET 1 46.258 10.291 -10.853 3 3H MET 1 HT3 MET 1 45.013 10.736 -9.786 4 HA MET 1 HA MET 1 47.226 10.670 -8.720 5 1HB MET 1 HB2 MET 1 44.750 9.662 -7.822 6 2HB MET 1 HB1 MET 1 45.963 8.503 -7.276 7 1HG MET 1 HG2 MET 1 46.714 9.933 -5.707 8 2HG MET 1 HG1 MET 1 46.916 11.213 -6.904 9 1HE MET 1 HE1 MET 1 45.209 9.579 -4.264 10 2HE MET 1 HE2 MET 1 43.792 10.520 -3.807 11 3HE MET 1 HE3 MET 1 45.403 11.177 -3.531 12 H ASP 2 HN ASP 2 48.212 9.401 -10.825 13 HA ASP 2 HA ASP 2 49.488 7.010 -9.644 14 1HB ASP 2 HB2 ASP 2 47.385 6.783 -11.531 15 2HB ASP 2 HB1 ASP 2 48.878 6.420 -12.398 16 H ARG 3 HN ARG 3 50.636 9.507 -10.041 17 HA ARG 3 HA ARG 3 52.216 9.236 -12.554 18 1HB ARG 3 HB2 ARG 3 51.037 11.451 -11.411 19 2HB ARG 3 HB1 ARG 3 52.708 11.593 -10.865 20 1HG ARG 3 HG2 ARG 3 53.371 11.132 -13.306 21 2HG ARG 3 HG1 ARG 3 51.681 11.445 -13.701 22 1HD ARG 3 HD2 ARG 3 52.673 13.562 -13.945 23 2HD ARG 3 HD1 ARG 3 52.002 13.628 -12.315 24 HE ARG 3 HE ARG 3 54.291 13.205 -11.456 25 1HH1 ARG 3 HH11 ARG 3 55.641 12.077 -13.807 26 2HH1 ARG 3 HH12 ARG 3 56.506 13.431 -14.455 27 1HH2 ARG 3 HH21 ARG 3 54.653 15.787 -12.712 28 2HH2 ARG 3 HH22 ARG 3 55.946 15.532 -13.835 29 H PHE 4 HN PHE 4 54.612 9.981 -12.203 30 HA PHE 4 HA PHE 4 55.631 8.562 -9.776 31 1HB PHE 4 HB2 PHE 4 56.406 8.525 -12.608 32 2HB PHE 4 HB1 PHE 4 57.769 8.764 -11.515 33 HD1 PHE 4 HD1 PHE 4 58.864 6.685 -11.387 34 HD2 PHE 4 HD2 PHE 4 54.589 6.861 -11.009 35 HE1 PHE 4 HE1 PHE 4 58.817 4.277 -10.797 36 HE2 PHE 4 HE2 PHE 4 54.542 4.453 -10.420 37 HZ PHE 4 HZ PHE 4 56.656 3.161 -10.314 38 H HIS 5 HN HIS 5 57.935 9.423 -9.183 39 HA HIS 5 HA HIS 5 57.929 12.406 -9.418 40 1HB HIS 5 HB2 HIS 5 58.226 10.631 -7.022 41 2HB HIS 5 HB1 HIS 5 59.123 12.149 -7.062 42 HD1 HIS 5 HD1 HIS 5 57.227 14.095 -8.291 43 HD2 HIS 5 HD2 HIS 5 55.921 11.185 -5.606 44 HE1 HIS 5 HE1 HIS 5 55.031 14.929 -7.343 45 H ALA 6 HN ALA 6 59.357 10.796 -11.204 46 HA ALA 6 HA ALA 6 61.520 10.544 -12.075 47 1HB ALA 6 HB1 ALA 6 61.963 12.831 -11.836 48 2HB ALA 6 HB2 ALA 6 63.264 12.106 -10.891 49 3HB ALA 6 HB3 ALA 6 61.847 12.769 -10.077 50 H THR 7 HN THR 7 63.506 9.408 -11.618 51 HA THR 7 HA THR 7 63.982 8.538 -8.837 52 HB THR 7 HB THR 7 64.104 6.134 -10.272 53 HG1 THR 7 HG1 THR 7 61.563 7.257 -10.687 54 1HG2 THR 7 HG21 THR 7 61.953 5.690 -8.895 55 2HG2 THR 7 HG22 THR 7 62.181 7.329 -8.285 56 3HG2 THR 7 HG23 THR 7 63.425 6.107 -8.018 57 H SER 8 HN SER 8 66.068 7.373 -8.657 58 HA SER 8 HA SER 8 67.946 8.286 -10.776 59 1HB SER 8 HB2 SER 8 69.614 7.454 -8.883 60 2HB SER 8 HB1 SER 8 68.827 9.025 -8.765 61 HG SER 8 HG SER 8 68.308 6.631 -7.402 62 H ALA 9 HN ALA 9 69.754 6.741 -11.317 63 HA ALA 9 HA ALA 9 68.635 3.999 -11.603 64 1HB ALA 9 HB1 ALA 9 70.394 3.721 -13.337 65 2HB ALA 9 HB2 ALA 9 70.958 5.359 -13.004 66 3HB ALA 9 HB3 ALA 9 69.349 5.100 -13.677 67 H ASP 10 HN ASP 10 69.719 2.208 -10.772 68 HA ASP 10 HA ASP 10 72.434 2.265 -9.829 69 1HB ASP 10 HB2 ASP 10 70.737 3.577 -8.103 70 2HB ASP 10 HB1 ASP 10 70.737 1.940 -7.445 71 H CYS 11 HN CYS 11 73.055 0.162 -9.941 72 HA CYS 11 HA CYS 11 70.988 -1.934 -10.039 73 1HB CYS 11 HB2 CYS 11 73.998 -2.216 -10.270 74 2HB CYS 11 HB1 CYS 11 72.784 -3.400 -10.753 75 H CYS 12 HN CYS 12 71.993 -4.112 -8.888 76 HA CYS 12 HA CYS 12 72.358 -3.308 -6.032 77 1HB CYS 12 HB2 CYS 12 70.892 -5.536 -7.381 78 2HB CYS 12 HB1 CYS 12 71.604 -5.860 -5.800 79 H ILE 13 HN ILE 13 74.263 -3.858 -5.077 80 HA ILE 13 HA ILE 13 76.016 -5.799 -6.528 81 HB ILE 13 HB ILE 13 76.942 -3.744 -4.515 82 1HG1 ILE 13 HG12 ILE 13 75.754 -2.564 -6.324 83 2HG1 ILE 13 HG11 ILE 13 77.493 -2.302 -6.455 84 1HG2 ILE 13 HG21 ILE 13 78.180 -5.634 -6.465 85 2HG2 ILE 13 HG22 ILE 13 78.734 -5.152 -4.861 86 3HG2 ILE 13 HG23 ILE 13 78.969 -4.073 -6.236 87 1HD1 ILE 13 HD11 ILE 13 76.302 -2.887 -8.633 88 2HD1 ILE 13 HD12 ILE 13 76.062 -4.500 -7.961 89 3HD1 ILE 13 HD13 ILE 13 77.695 -3.891 -8.231 90 H SER 14 HN SER 14 74.815 -4.807 -3.342 91 HA SER 14 HA SER 14 75.235 -7.564 -2.381 92 1HB SER 14 HB2 SER 14 77.316 -6.011 -1.917 93 2HB SER 14 HB1 SER 14 76.292 -5.355 -0.643 94 HG SER 14 HG SER 14 76.274 -7.280 0.350 95 H TYR 15 HN TYR 15 73.454 -8.114 -1.221 96 HA TYR 15 HA TYR 15 71.514 -6.042 -0.488 97 1HB TYR 15 HB2 TYR 15 71.251 -8.915 0.344 98 2HB TYR 15 HB1 TYR 15 69.999 -7.786 -0.176 99 HD1 TYR 15 HD1 TYR 15 70.980 -10.714 -1.185 100 HD2 TYR 15 HD2 TYR 15 71.295 -6.687 -2.644 101 HE1 TYR 15 HE1 TYR 15 71.170 -11.570 -3.505 102 HE2 TYR 15 HE2 TYR 15 71.484 -7.542 -4.964 103 HH TYR 15 HH TYR 15 71.157 -11.003 -5.679 104 H THR 16 HN THR 16 70.902 -5.513 1.652 105 HA THR 16 HA THR 16 72.975 -5.563 3.618 106 HB THR 16 HB THR 16 71.051 -3.908 3.465 107 HG1 THR 16 HG1 THR 16 71.033 -4.967 6.037 108 1HG2 THR 16 HG21 THR 16 69.539 -6.017 5.011 109 2HG2 THR 16 HG22 THR 16 69.335 -5.793 3.274 110 3HG2 THR 16 HG23 THR 16 68.931 -4.485 4.385 111 HA PRO 17 HA PRO 17 72.080 -9.738 4.990 112 1HB PRO 17 HB2 PRO 17 74.301 -9.927 6.599 113 2HB PRO 17 HB1 PRO 17 74.341 -10.172 4.844 114 1HG PRO 17 HG2 PRO 17 75.301 -7.841 6.436 115 2HG PRO 17 HG1 PRO 17 75.844 -8.418 4.852 116 1HD PRO 17 HD2 PRO 17 74.121 -6.219 5.317 117 2HD PRO 17 HD1 PRO 17 74.415 -7.004 3.751 118 H ARG 18 HN ARG 18 70.424 -7.968 6.183 119 HA ARG 18 HA ARG 18 70.513 -8.782 9.006 120 1HB ARG 18 HB2 ARG 18 70.874 -5.930 8.106 121 2HB ARG 18 HB1 ARG 18 70.096 -6.288 9.648 122 1HG ARG 18 HG2 ARG 18 72.221 -6.309 10.460 123 2HG ARG 18 HG1 ARG 18 72.282 -7.929 9.764 124 1HD ARG 18 HD2 ARG 18 74.081 -7.119 8.626 125 2HD ARG 18 HD1 ARG 18 72.860 -6.402 7.574 126 HE ARG 18 HE ARG 18 73.377 -4.641 9.777 127 1HH1 ARG 18 HH21 ARG 18 75.720 -6.061 7.904 128 2HH1 ARG 18 HH22 ARG 18 76.271 -4.604 7.145 129 1HH2 ARG 18 HH11 ARG 18 73.662 -2.670 8.359 130 2HH2 ARG 18 HH12 ARG 18 75.106 -2.685 7.403 131 H SER 19 HN SER 19 68.440 -8.339 10.079 132 HA SER 19 HA SER 19 66.222 -8.294 8.117 133 1HB SER 19 HB2 SER 19 65.745 -8.612 11.048 134 2HB SER 19 HB1 SER 19 64.968 -9.424 9.692 135 HG SER 19 HG SER 19 67.099 -10.183 11.166 136 H ILE 20 HN ILE 20 65.366 -6.324 7.660 137 HA ILE 20 HA ILE 20 65.449 -4.227 9.773 138 HB ILE 20 HB ILE 20 65.132 -4.096 6.768 139 1HG1 ILE 20 HG12 ILE 20 67.084 -2.319 7.658 140 2HG1 ILE 20 HG11 ILE 20 67.290 -3.722 8.706 141 1HG2 ILE 20 HG21 ILE 20 64.867 -1.869 8.813 142 2HG2 ILE 20 HG22 ILE 20 63.579 -2.485 7.777 143 3HG2 ILE 20 HG23 ILE 20 64.952 -1.636 7.066 144 1HD1 ILE 20 HD11 ILE 20 67.039 -5.042 6.413 145 2HD1 ILE 20 HD12 ILE 20 68.596 -4.377 6.909 146 3HD1 ILE 20 HD13 ILE 20 67.600 -3.512 5.738 147 HA PRO 21 HA PRO 21 61.064 -4.919 10.148 148 1HB PRO 21 HB2 PRO 21 60.657 -3.002 12.074 149 2HB PRO 21 HB1 PRO 21 61.338 -4.602 12.416 150 1HG PRO 21 HG2 PRO 21 62.719 -1.964 12.292 151 2HG PRO 21 HG1 PRO 21 63.166 -3.422 13.192 152 1HD PRO 21 HD2 PRO 21 64.327 -2.547 10.759 153 2HD PRO 21 HD1 PRO 21 64.537 -4.146 11.506 154 H CYS 22 HN CYS 22 59.088 -3.675 9.697 155 HA CYS 22 HA CYS 22 59.394 -1.720 7.620 156 1HB CYS 22 HB2 CYS 22 57.134 -2.904 9.147 157 2HB CYS 22 HB1 CYS 22 56.833 -1.338 8.395 158 H SER 23 HN SER 23 59.529 -1.464 11.024 159 HA SER 23 HA SER 23 58.558 1.269 11.235 160 1HB SER 23 HB2 SER 23 59.036 -0.702 13.055 161 2HB SER 23 HB1 SER 23 60.479 0.286 13.262 162 HG SER 23 HG SER 23 57.782 0.908 13.688 163 H LEU 24 HN LEU 24 61.626 -0.253 10.514 164 HA LEU 24 HA LEU 24 62.990 2.391 10.683 165 1HB LEU 24 HB2 LEU 24 63.802 -0.292 11.254 166 2HB LEU 24 HB1 LEU 24 64.783 0.303 9.913 167 HG LEU 24 HG LEU 24 64.605 2.454 11.720 168 1HD1 LEU 24 HD11 LEU 24 65.033 1.638 13.857 169 2HD1 LEU 24 HD12 LEU 24 65.611 0.083 13.258 170 3HD1 LEU 24 HD13 LEU 24 63.884 0.437 13.267 171 1HD2 LEU 24 HD21 LEU 24 67.001 0.731 11.884 172 2HD2 LEU 24 HD22 LEU 24 66.866 2.427 11.420 173 3HD2 LEU 24 HD23 LEU 24 66.516 1.160 10.244 174 H LEU 25 HN LEU 25 61.076 1.505 8.532 175 HA LEU 25 HA LEU 25 62.957 1.826 6.227 176 1HB LEU 25 HB2 LEU 25 60.480 0.117 6.491 177 2HB LEU 25 HB1 LEU 25 61.105 0.603 4.915 178 HG LEU 25 HG LEU 25 62.975 -0.612 6.924 179 1HD1 LEU 25 HD11 LEU 25 61.444 -2.353 6.991 180 2HD1 LEU 25 HD12 LEU 25 62.359 -2.800 5.551 181 3HD1 LEU 25 HD13 LEU 25 60.802 -1.988 5.389 182 1HD2 LEU 25 HD21 LEU 25 63.625 0.439 4.662 183 2HD2 LEU 25 HD22 LEU 25 62.842 -0.959 3.924 184 3HD2 LEU 25 HD23 LEU 25 64.231 -1.185 4.988 185 H GLU 26 HN GLU 26 62.364 3.381 4.703 186 HA GLU 26 HA GLU 26 59.955 5.003 5.413 187 1HB GLU 26 HB2 GLU 26 62.481 5.906 5.311 188 2HB GLU 26 HB1 GLU 26 62.064 6.092 3.607 189 1HG GLU 26 HG2 GLU 26 59.861 7.021 5.187 190 2HG GLU 26 HG1 GLU 26 61.336 7.788 5.776 191 H SER 27 HN SER 27 61.619 3.302 2.827 192 HA SER 27 HA SER 27 59.227 2.999 1.287 193 1HB SER 27 HB2 SER 27 60.758 5.445 0.834 194 2HB SER 27 HB1 SER 27 60.607 4.476 -0.629 195 HG SER 27 HG SER 27 58.356 4.820 0.997 196 H TYR 28 HN TYR 28 60.001 2.394 -1.147 197 HA TYR 28 HA TYR 28 62.660 1.266 -1.367 198 1HB TYR 28 HB2 TYR 28 62.084 -1.088 -1.282 199 2HB TYR 28 HB1 TYR 28 61.554 -0.342 0.226 200 HD1 TYR 28 HD1 TYR 28 59.095 0.562 0.270 201 HD2 TYR 28 HD2 TYR 28 60.557 -2.324 -2.557 202 HE1 TYR 28 HE1 TYR 28 56.771 -0.176 -0.181 203 HE2 TYR 28 HE2 TYR 28 58.233 -3.061 -3.007 204 HH TYR 28 HH TYR 28 55.563 -1.318 -2.193 205 H PHE 29 HN PHE 29 62.778 -0.119 -3.425 206 HA PHE 29 HA PHE 29 60.580 0.042 -5.312 207 1HB PHE 29 HB2 PHE 29 61.748 1.569 -6.914 208 2HB PHE 29 HB1 PHE 29 61.255 2.382 -5.428 209 HD1 PHE 29 HD1 PHE 29 63.980 1.691 -7.617 210 HD2 PHE 29 HD2 PHE 29 63.019 2.448 -3.500 211 HE1 PHE 29 HE1 PHE 29 66.336 2.333 -7.185 212 HE2 PHE 29 HE2 PHE 29 65.376 3.090 -3.068 213 HZ PHE 29 HZ PHE 29 67.034 3.032 -4.911 214 H GLU 30 HN GLU 30 61.856 -0.233 -7.687 215 HA GLU 30 HA GLU 30 63.559 -2.638 -7.215 216 1HB GLU 30 HB2 GLU 30 61.852 -1.790 -9.569 217 2HB GLU 30 HB1 GLU 30 62.959 -3.162 -9.624 218 1HG GLU 30 HG2 GLU 30 61.751 -4.351 -7.971 219 2HG GLU 30 HG1 GLU 30 60.874 -2.910 -7.457 220 H THR 31 HN THR 31 65.562 -2.821 -8.287 221 HA THR 31 HA THR 31 66.905 -0.330 -8.891 222 HB THR 31 HB THR 31 68.837 -1.745 -9.412 223 HG1 THR 31 HG1 THR 31 68.265 -3.513 -10.400 224 1HG2 THR 31 HG21 THR 31 69.170 -2.281 -7.233 225 2HG2 THR 31 HG22 THR 31 67.744 -3.316 -7.176 226 3HG2 THR 31 HG23 THR 31 67.576 -1.572 -6.981 227 H ASN 32 HN ASN 32 67.905 0.184 -10.990 228 HA ASN 32 HA ASN 32 66.157 0.257 -13.156 229 1HB ASN 32 HB2 ASN 32 68.851 0.966 -12.693 230 2HB ASN 32 HB1 ASN 32 68.859 -0.042 -14.142 231 1HD2 ASN 32 HD21 ASN 32 66.745 0.579 -15.614 232 2HD2 ASN 32 HD22 ASN 32 66.586 2.246 -15.895 233 H SER 33 HN SER 33 65.165 -1.502 -14.039 234 HA SER 33 HA SER 33 65.980 -4.170 -13.955 235 1HB SER 33 HB2 SER 33 64.546 -4.515 -15.955 236 2HB SER 33 HB1 SER 33 63.762 -3.492 -14.754 237 HG SER 33 HG SER 33 64.250 -2.933 -17.274 238 H GLU 34 HN GLU 34 66.990 -1.640 -16.206 239 HA GLU 34 HA GLU 34 68.243 -3.127 -18.207 240 1HB GLU 34 HB2 GLU 34 68.942 -0.515 -16.886 241 2HB GLU 34 HB1 GLU 34 70.006 -1.195 -18.118 242 1HG GLU 34 HG2 GLU 34 67.035 -0.866 -18.571 243 2HG GLU 34 HG1 GLU 34 68.188 0.415 -18.947 244 H CYS 35 HN CYS 35 69.220 -2.713 -14.869 245 HA CYS 35 HA CYS 35 71.940 -3.514 -15.077 246 1HB CYS 35 HB2 CYS 35 69.979 -4.068 -12.828 247 2HB CYS 35 HB1 CYS 35 71.736 -4.158 -12.704 248 H SER 36 HN SER 36 72.917 -5.570 -15.024 249 HA SER 36 HA SER 36 71.394 -7.730 -16.201 250 1HB SER 36 HB2 SER 36 74.081 -8.046 -14.866 251 2HB SER 36 HB1 SER 36 73.433 -8.932 -16.243 252 HG SER 36 HG SER 36 74.009 -7.352 -17.526 253 H LYS 37 HN LYS 37 72.003 -6.712 -12.964 254 HA LYS 37 HA LYS 37 70.928 -9.317 -11.963 255 1HB LYS 37 HB2 LYS 37 72.750 -7.328 -10.577 256 2HB LYS 37 HB1 LYS 37 72.068 -8.765 -9.814 257 1HG LYS 37 HG2 LYS 37 73.307 -10.231 -11.187 258 2HG LYS 37 HG1 LYS 37 73.650 -8.971 -12.373 259 1HD LYS 37 HD2 LYS 37 74.956 -7.775 -10.540 260 2HD LYS 37 HD1 LYS 37 74.810 -9.256 -9.594 261 1HE LYS 37 HE2 LYS 37 75.679 -9.837 -12.303 262 2HE LYS 37 HE1 LYS 37 76.770 -8.694 -11.520 263 1HZ LYS 37 HZ1 LYS 37 76.209 -10.553 -9.595 264 2HZ LYS 37 HZ2 LYS 37 77.643 -10.443 -10.500 265 3HZ LYS 37 HZ3 LYS 37 76.391 -11.474 -11.007 266 HA PRO 38 HA PRO 38 67.577 -6.542 -10.860 267 1HB PRO 38 HB2 PRO 38 65.830 -8.556 -10.188 268 2HB PRO 38 HB1 PRO 38 66.128 -8.030 -11.854 269 1HG PRO 38 HG2 PRO 38 67.070 -10.496 -10.467 270 2HG PRO 38 HG1 PRO 38 66.789 -10.219 -12.194 271 1HD PRO 38 HD2 PRO 38 69.311 -10.238 -10.908 272 2HD PRO 38 HD1 PRO 38 68.979 -9.638 -12.547 273 H GLY 39 HN GLY 39 66.253 -6.273 -8.812 274 1HA GLY 39 HA2 GLY 39 66.552 -7.663 -6.437 275 2HA GLY 39 HA1 GLY 39 67.917 -6.553 -6.496 276 H VAL 40 HN VAL 40 66.208 -6.112 -4.458 277 HA VAL 40 HA VAL 40 64.547 -3.802 -5.391 278 HB VAL 40 HB VAL 40 64.088 -5.197 -2.766 279 1HG1 VAL 40 HG11 VAL 40 62.461 -3.560 -4.718 280 2HG1 VAL 40 HG12 VAL 40 62.845 -3.185 -3.038 281 3HG1 VAL 40 HG13 VAL 40 61.710 -4.480 -3.415 282 1HG2 VAL 40 HG21 VAL 40 63.209 -6.098 -5.518 283 2HG2 VAL 40 HG22 VAL 40 62.340 -6.558 -4.054 284 3HG2 VAL 40 HG23 VAL 40 64.019 -7.050 -4.275 285 H ILE 41 HN ILE 41 64.677 -1.875 -4.140 286 HA ILE 41 HA ILE 41 67.047 -1.777 -2.318 287 HB ILE 41 HB ILE 41 65.814 0.321 -4.120 288 1HG1 ILE 41 HG12 ILE 41 67.439 -1.385 -5.055 289 2HG1 ILE 41 HG11 ILE 41 67.967 0.292 -5.211 290 1HG2 ILE 41 HG21 ILE 41 66.355 1.584 -2.216 291 2HG2 ILE 41 HG22 ILE 41 67.832 1.682 -3.174 292 3HG2 ILE 41 HG23 ILE 41 67.736 0.563 -1.814 293 1HD1 ILE 41 HD11 ILE 41 69.249 -0.006 -3.051 294 2HD1 ILE 41 HD12 ILE 41 69.850 -0.974 -4.398 295 3HD1 ILE 41 HD13 ILE 41 68.869 -1.726 -3.141 296 H PHE 42 HN PHE 42 66.623 -1.296 -0.212 297 HA PHE 42 HA PHE 42 63.898 -0.264 0.442 298 1HB PHE 42 HB2 PHE 42 65.812 -2.096 1.824 299 2HB PHE 42 HB1 PHE 42 64.780 -1.078 2.830 300 HD1 PHE 42 HD1 PHE 42 63.360 -2.822 3.707 301 HD2 PHE 42 HD2 PHE 42 63.845 -2.320 -0.531 302 HE1 PHE 42 HE1 PHE 42 61.452 -4.354 3.308 303 HE2 PHE 42 HE2 PHE 42 61.937 -3.853 -0.931 304 HZ PHE 42 HZ PHE 42 60.740 -4.870 0.989 305 H LEU 43 HN LEU 43 63.784 1.810 1.133 306 HA LEU 43 HA LEU 43 66.304 3.166 1.943 307 1HB LEU 43 HB2 LEU 43 64.767 4.109 0.127 308 2HB LEU 43 HB1 LEU 43 63.621 4.461 1.420 309 HG LEU 43 HG LEU 43 66.229 5.369 2.213 310 1HD1 LEU 43 HD11 LEU 43 66.156 7.260 0.363 311 2HD1 LEU 43 HD12 LEU 43 65.365 6.002 -0.589 312 3HD1 LEU 43 HD13 LEU 43 66.989 5.738 0.046 313 1HD2 LEU 43 HD21 LEU 43 64.916 7.603 2.100 314 2HD2 LEU 43 HD22 LEU 43 64.309 6.353 3.187 315 3HD2 LEU 43 HD23 LEU 43 63.540 6.609 1.620 316 H THR 44 HN THR 44 66.661 3.334 4.100 317 HA THR 44 HA THR 44 64.494 2.872 6.013 318 HB THR 44 HB THR 44 66.254 3.122 7.714 319 HG1 THR 44 HG1 THR 44 68.435 3.440 6.711 320 1HG2 THR 44 HG21 THR 44 67.132 1.078 7.256 321 2HG2 THR 44 HG22 THR 44 67.759 1.595 5.690 322 3HG2 THR 44 HG23 THR 44 66.067 1.126 5.851 323 H LYS 45 HN LYS 45 64.248 4.476 7.885 324 HA LYS 45 HA LYS 45 63.605 7.088 6.785 325 1HB LYS 45 HB2 LYS 45 62.299 5.953 8.615 326 2HB LYS 45 HB1 LYS 45 63.662 6.246 9.697 327 1HG LYS 45 HG2 LYS 45 63.431 8.621 9.495 328 2HG LYS 45 HG1 LYS 45 62.299 8.461 8.152 329 1HD LYS 45 HD2 LYS 45 60.617 7.495 9.600 330 2HD LYS 45 HD1 LYS 45 61.754 7.428 10.947 331 1HE LYS 45 HE2 LYS 45 61.357 10.089 9.678 332 2HE LYS 45 HE1 LYS 45 60.011 9.459 10.627 333 1HZ LYS 45 HZ1 LYS 45 61.094 10.057 12.444 334 2HZ LYS 45 HZ2 LYS 45 62.431 10.575 11.532 335 3HZ LYS 45 HZ3 LYS 45 62.335 8.965 12.066 336 H LYS 46 HN LYS 46 66.502 5.775 7.713 337 HA LYS 46 HA LYS 46 67.553 8.283 8.905 338 1HB LYS 46 HB2 LYS 46 68.156 5.532 9.253 339 2HB LYS 46 HB1 LYS 46 69.567 6.264 8.489 340 1HG LYS 46 HG2 LYS 46 68.247 7.681 10.781 341 2HG LYS 46 HG1 LYS 46 69.322 6.322 11.113 342 1HD LYS 46 HD2 LYS 46 71.192 7.437 10.364 343 2HD LYS 46 HD1 LYS 46 70.284 8.385 9.185 344 1HE LYS 46 HE2 LYS 46 70.304 10.104 10.637 345 2HE LYS 46 HE1 LYS 46 69.288 9.146 11.713 346 1HZ LYS 46 HZ1 LYS 46 71.308 8.149 12.634 347 2HZ LYS 46 HZ2 LYS 46 71.281 9.834 12.848 348 3HZ LYS 46 HZ3 LYS 46 72.256 9.144 11.640 349 H GLY 47 HN GLY 47 66.733 7.908 6.027 350 1HA GLY 47 HA2 GLY 47 67.511 8.599 3.937 351 2HA GLY 47 HA1 GLY 47 68.811 9.400 4.813 352 H ARG 48 HN ARG 48 68.241 5.945 5.032 353 HA ARG 48 HA ARG 48 70.826 5.523 3.586 354 1HB ARG 48 HB2 ARG 48 69.866 4.595 6.142 355 2HB ARG 48 HB1 ARG 48 70.164 3.213 5.086 356 1HG ARG 48 HG2 ARG 48 72.428 3.979 4.637 357 2HG ARG 48 HG1 ARG 48 72.144 5.462 5.550 358 1HD ARG 48 HD2 ARG 48 73.140 4.229 7.216 359 2HD ARG 48 HD1 ARG 48 71.479 3.683 7.449 360 HE ARG 48 HE ARG 48 72.148 1.732 5.906 361 1HH1 ARG 48 HH11 ARG 48 74.920 2.486 5.319 362 2HH1 ARG 48 HH12 ARG 48 75.827 1.657 6.540 363 1HH2 ARG 48 HH21 ARG 48 73.077 1.098 8.578 364 2HH2 ARG 48 HH22 ARG 48 74.784 0.872 8.385 365 H ARG 49 HN ARG 49 70.934 3.699 2.142 366 HA ARG 49 HA ARG 49 68.332 2.403 1.496 367 1HB ARG 49 HB2 ARG 49 68.781 2.778 -0.935 368 2HB ARG 49 HB1 ARG 49 68.505 4.280 -0.053 369 1HG ARG 49 HG2 ARG 49 70.642 5.001 -0.360 370 2HG ARG 49 HG1 ARG 49 71.321 3.391 -0.119 371 1HD ARG 49 HD2 ARG 49 69.891 3.179 -2.509 372 2HD ARG 49 HD1 ARG 49 70.666 4.761 -2.606 373 HE ARG 49 HE ARG 49 72.046 2.161 -2.540 374 1HH1 ARG 49 HH21 ARG 49 72.286 5.471 -1.682 375 2HH1 ARG 49 HH22 ARG 49 73.928 5.635 -2.207 376 1HH2 ARG 49 HH11 ARG 49 74.130 2.408 -3.458 377 2HH2 ARG 49 HH12 ARG 49 74.972 3.901 -3.213 378 H PHE 50 HN PHE 50 68.560 0.280 0.783 379 HA PHE 50 HA PHE 50 71.263 -0.716 0.100 380 1HB PHE 50 HB2 PHE 50 70.951 -2.626 1.737 381 2HB PHE 50 HB1 PHE 50 71.244 -1.056 2.487 382 HD1 PHE 50 HD1 PHE 50 68.932 -3.815 2.129 383 HD2 PHE 50 HD2 PHE 50 69.266 0.299 3.319 384 HE1 PHE 50 HE1 PHE 50 66.779 -3.993 3.348 385 HE2 PHE 50 HE2 PHE 50 67.114 0.121 4.539 386 HZ PHE 50 HZ PHE 50 65.871 -2.025 4.553 387 H CYS 51 HN CYS 51 71.059 -3.125 -0.566 388 HA CYS 51 HA CYS 51 68.647 -3.356 -2.259 389 1HB CYS 51 HB2 CYS 51 71.338 -4.706 -2.192 390 2HB CYS 51 HB1 CYS 51 70.004 -5.413 -3.098 391 H ALA 52 HN ALA 52 67.627 -5.571 -2.406 392 HA ALA 52 HA ALA 52 67.882 -7.227 0.029 393 1HB ALA 52 HB1 ALA 52 65.568 -5.462 -0.595 394 2HB ALA 52 HB2 ALA 52 66.170 -6.016 0.967 395 3HB ALA 52 HB3 ALA 52 65.188 -7.089 -0.030 396 H ASN 53 HN ASN 53 67.007 -9.352 -0.283 397 HA ASN 53 HA ASN 53 66.949 -10.190 -3.072 398 1HB ASN 53 HB2 ASN 53 67.878 -11.495 -1.042 399 2HB ASN 53 HB1 ASN 53 66.196 -11.910 -0.711 400 1HD2 ASN 53 HD21 ASN 53 68.815 -12.286 -3.095 401 2HD2 ASN 53 HD22 ASN 53 68.096 -13.578 -3.930 402 HA PRO 54 HA PRO 54 62.573 -9.828 -3.534 403 1HB PRO 54 HB2 PRO 54 62.359 -11.303 -5.847 404 2HB PRO 54 HB1 PRO 54 62.954 -9.635 -5.798 405 1HG PRO 54 HG2 PRO 54 64.492 -12.168 -6.152 406 2HG PRO 54 HG1 PRO 54 64.876 -10.534 -6.718 407 1HD PRO 54 HD2 PRO 54 66.023 -11.806 -4.475 408 2HD PRO 54 HD1 PRO 54 66.107 -10.069 -4.838 409 H SER 55 HN SER 55 64.248 -12.719 -2.895 410 HA SER 55 HA SER 55 61.759 -14.343 -2.826 411 1HB SER 55 HB2 SER 55 64.681 -15.066 -2.490 412 2HB SER 55 HB1 SER 55 63.367 -16.211 -2.239 413 HG SER 55 HG SER 55 63.378 -14.707 -4.591 414 H ASP 56 HN ASP 56 63.261 -12.195 -0.850 415 HA ASP 56 HA ASP 56 63.182 -13.714 1.649 416 1HB ASP 56 HB2 ASP 56 64.675 -11.675 1.107 417 2HB ASP 56 HB1 ASP 56 63.234 -10.706 1.412 418 H LYS 57 HN LYS 57 61.314 -14.147 2.708 419 HA LYS 57 HA LYS 57 58.776 -13.093 1.916 420 1HB LYS 57 HB2 LYS 57 59.476 -14.301 4.607 421 2HB LYS 57 HB1 LYS 57 57.884 -14.243 3.849 422 1HG LYS 57 HG2 LYS 57 59.281 -15.469 1.882 423 2HG LYS 57 HG1 LYS 57 60.181 -16.038 3.289 424 1HD LYS 57 HD2 LYS 57 58.555 -17.631 3.386 425 2HD LYS 57 HD1 LYS 57 57.613 -16.355 4.159 426 1HE LYS 57 HE2 LYS 57 57.317 -15.845 1.435 427 2HE LYS 57 HE1 LYS 57 57.238 -17.603 1.549 428 1HZ LYS 57 HZ1 LYS 57 55.503 -17.456 3.142 429 2HZ LYS 57 HZ2 LYS 57 55.073 -16.448 1.843 430 3HZ LYS 57 HZ3 LYS 57 55.675 -15.774 3.282 431 H GLN 58 HN GLN 58 60.966 -12.238 4.594 432 HA GLN 58 HA GLN 58 59.278 -10.338 5.861 433 1HB GLN 58 HB2 GLN 58 62.262 -10.683 5.685 434 2HB GLN 58 HB1 GLN 58 61.583 -9.265 6.484 435 1HG GLN 58 HG2 GLN 58 60.275 -10.712 7.980 436 2HG GLN 58 HG1 GLN 58 60.912 -12.142 7.168 437 1HE2 GLN 58 HE21 GLN 58 61.718 -12.594 9.502 438 2HE2 GLN 58 HE22 GLN 58 63.221 -11.937 9.938 439 H VAL 59 HN VAL 59 61.162 -10.140 2.921 440 HA VAL 59 HA VAL 59 61.082 -7.237 2.744 441 HB VAL 59 HB VAL 59 61.735 -9.449 0.790 442 1HG1 VAL 59 HG11 VAL 59 62.560 -7.288 -0.555 443 2HG1 VAL 59 HG12 VAL 59 61.191 -6.555 0.282 444 3HG1 VAL 59 HG13 VAL 59 60.937 -7.946 -0.772 445 1HG2 VAL 59 HG21 VAL 59 63.907 -8.968 1.299 446 2HG2 VAL 59 HG22 VAL 59 63.214 -8.260 2.758 447 3HG2 VAL 59 HG23 VAL 59 63.603 -7.233 1.379 448 H GLN 60 HN GLN 60 59.206 -9.902 1.297 449 HA GLN 60 HA GLN 60 57.448 -8.100 -0.156 450 1HB GLN 60 HB2 GLN 60 56.139 -10.116 -0.637 451 2HB GLN 60 HB1 GLN 60 57.856 -10.448 -0.869 452 1HG GLN 60 HG2 GLN 60 57.994 -11.500 1.325 453 2HG GLN 60 HG1 GLN 60 56.315 -11.079 1.664 454 1HE2 GLN 60 HE21 GLN 60 54.625 -12.173 0.337 455 2HE2 GLN 60 HE22 GLN 60 54.968 -13.659 -0.408 456 H VAL 61 HN VAL 61 57.431 -9.609 3.020 457 HA VAL 61 HA VAL 61 54.638 -9.016 3.567 458 HB VAL 61 HB VAL 61 56.975 -9.754 5.345 459 1HG1 VAL 61 HG11 VAL 61 55.763 -8.970 7.078 460 2HG1 VAL 61 HG12 VAL 61 54.572 -10.218 6.713 461 3HG1 VAL 61 HG13 VAL 61 54.394 -8.603 6.029 462 1HG2 VAL 61 HG21 VAL 61 54.633 -11.503 5.219 463 2HG2 VAL 61 HG22 VAL 61 56.335 -11.893 4.970 464 3HG2 VAL 61 HG23 VAL 61 55.372 -11.260 3.636 465 H CYS 62 HN CYS 62 57.715 -7.362 4.092 466 HA CYS 62 HA CYS 62 56.589 -5.300 5.797 467 1HB CYS 62 HB2 CYS 62 59.150 -6.094 5.104 468 2HB CYS 62 HB1 CYS 62 58.979 -4.547 4.274 469 H MET 63 HN MET 63 57.163 -5.643 2.320 470 HA MET 63 HA MET 63 56.672 -2.937 1.577 471 1HB MET 63 HB2 MET 63 56.296 -3.779 -0.651 472 2HB MET 63 HB1 MET 63 57.561 -4.771 0.075 473 1HG MET 63 HG2 MET 63 56.305 -6.624 -0.144 474 2HG MET 63 HG1 MET 63 54.964 -5.866 0.712 475 1HE MET 63 HE1 MET 63 55.400 -6.838 -3.610 476 2HE MET 63 HE2 MET 63 55.281 -7.879 -2.194 477 3HE MET 63 HE3 MET 63 56.682 -6.829 -2.391 478 H ARG 64 HN ARG 64 54.563 -5.279 2.891 479 HA ARG 64 HA ARG 64 52.121 -4.251 1.656 480 1HB ARG 64 HB2 ARG 64 52.850 -6.378 3.559 481 2HB ARG 64 HB1 ARG 64 51.307 -5.599 3.911 482 1HG ARG 64 HG2 ARG 64 51.012 -5.887 1.260 483 2HG ARG 64 HG1 ARG 64 52.108 -7.238 1.554 484 1HD ARG 64 HD2 ARG 64 50.391 -7.617 3.601 485 2HD ARG 64 HD1 ARG 64 49.299 -6.848 2.449 486 HE ARG 64 HE ARG 64 50.280 -8.698 0.834 487 1HH1 ARG 64 HH11 ARG 64 47.942 -9.199 2.860 488 2HH1 ARG 64 HH12 ARG 64 48.378 -10.778 3.420 489 1HH2 ARG 64 HH21 ARG 64 51.594 -10.637 2.133 490 2HH2 ARG 64 HH22 ARG 64 50.445 -11.593 3.008 491 H MET 65 HN MET 65 53.967 -3.648 4.590 492 HA MET 65 HA MET 65 51.831 -1.876 5.632 493 1HB MET 65 HB2 MET 65 53.050 -3.398 7.189 494 2HB MET 65 HB1 MET 65 54.546 -2.541 6.813 495 1HG MET 65 HG2 MET 65 53.435 -0.415 7.577 496 2HG MET 65 HG1 MET 65 52.065 -1.387 8.116 497 1HE MET 65 HE1 MET 65 53.699 0.332 10.616 498 2HE MET 65 HE2 MET 65 54.428 0.557 9.027 499 3HE MET 65 HE3 MET 65 55.412 -0.034 10.364 500 H LEU 66 HN LEU 66 54.877 -1.730 3.955 501 HA LEU 66 HA LEU 66 55.439 1.050 4.589 502 1HB LEU 66 HB2 LEU 66 56.466 -0.869 2.492 503 2HB LEU 66 HB1 LEU 66 56.976 0.819 2.539 504 HG LEU 66 HG LEU 66 57.216 -1.127 4.852 505 1HD1 LEU 66 HD11 LEU 66 59.381 -1.555 4.222 506 2HD1 LEU 66 HD12 LEU 66 59.595 0.039 3.498 507 3HD1 LEU 66 HD13 LEU 66 58.727 -1.220 2.619 508 1HD2 LEU 66 HD21 LEU 66 58.830 0.821 5.563 509 2HD2 LEU 66 HD22 LEU 66 57.095 1.000 5.825 510 3HD2 LEU 66 HD23 LEU 66 57.864 1.782 4.444 511 H LYS 67 HN LYS 67 53.908 -0.648 1.860 512 HA LYS 67 HA LYS 67 53.490 1.675 0.241 513 1HB LYS 67 HB2 LYS 67 53.124 -0.964 -0.173 514 2HB LYS 67 HB1 LYS 67 51.457 -0.498 0.169 515 1HG LYS 67 HG2 LYS 67 51.977 1.468 -1.511 516 2HG LYS 67 HG1 LYS 67 53.246 0.379 -2.075 517 1HD LYS 67 HD2 LYS 67 50.986 -1.253 -1.802 518 2HD LYS 67 HD1 LYS 67 50.377 0.238 -2.523 519 1HE LYS 67 HE2 LYS 67 51.105 -0.635 -4.486 520 2HE LYS 67 HE1 LYS 67 52.711 -0.169 -3.926 521 1HZ LYS 67 HZ1 LYS 67 52.109 -2.641 -4.603 522 2HZ LYS 67 HZ2 LYS 67 51.657 -2.712 -2.967 523 3HZ LYS 67 HZ3 LYS 67 53.245 -2.285 -3.395 524 H LEU 68 HN LEU 68 51.682 0.273 2.916 525 HA LEU 68 HA LEU 68 49.323 1.916 2.540 526 1HB LEU 68 HB2 LEU 68 50.109 -0.214 4.240 527 2HB LEU 68 HB1 LEU 68 49.691 1.140 5.290 528 HG LEU 68 HG LEU 68 47.666 -0.106 4.874 529 1HD1 LEU 68 HD11 LEU 68 48.013 2.600 4.182 530 2HD1 LEU 68 HD12 LEU 68 46.498 1.801 4.602 531 3HD1 LEU 68 HD13 LEU 68 46.993 1.920 2.914 532 1HD2 LEU 68 HD21 LEU 68 48.766 -0.986 2.618 533 2HD2 LEU 68 HD22 LEU 68 47.853 0.350 1.918 534 3HD2 LEU 68 HD23 LEU 68 47.013 -0.925 2.801 535 H ASP 69 HN ASP 69 49.378 4.097 2.781 536 HA ASP 69 HA ASP 69 51.477 5.402 4.337 537 1HB ASP 69 HB2 ASP 69 49.566 6.165 2.334 538 2HB ASP 69 HB1 ASP 69 49.388 7.235 3.724 539 H THR 70 HN THR 70 47.897 5.430 4.579 540 HA THR 70 HA THR 70 46.529 5.834 6.448 541 HB THR 70 HB THR 70 48.489 4.626 8.309 542 HG1 THR 70 HG1 THR 70 47.349 2.951 6.374 543 1HG2 THR 70 HG21 THR 70 46.574 3.371 9.001 544 2HG2 THR 70 HG22 THR 70 45.717 3.729 7.502 545 3HG2 THR 70 HG23 THR 70 46.001 5.008 8.683 546 H ARG 71 HN ARG 71 47.610 8.148 5.972 547 HA ARG 71 HA ARG 71 49.531 9.237 7.740 548 1HB ARG 71 HB2 ARG 71 48.065 10.232 5.674 549 2HB ARG 71 HB1 ARG 71 47.257 11.003 7.040 550 1HG ARG 71 HG2 ARG 71 49.172 12.157 7.697 551 2HG ARG 71 HG1 ARG 71 50.257 11.001 6.923 552 1HD ARG 71 HD2 ARG 71 48.367 12.686 5.285 553 2HD ARG 71 HD1 ARG 71 49.938 13.311 5.784 554 HE ARG 71 HE ARG 71 50.262 10.722 4.584 555 1HH1 ARG 71 HH11 ARG 71 51.475 13.640 4.148 556 2HH1 ARG 71 HH12 ARG 71 51.255 13.760 2.434 557 1HH2 ARG 71 HH21 ARG 71 49.131 11.025 2.249 558 2HH2 ARG 71 HH22 ARG 71 49.928 12.278 1.359 559 H ILE 72 HN ILE 72 49.445 9.818 9.875 560 HA ILE 72 HA ILE 72 46.779 9.666 11.218 561 HB ILE 72 HB ILE 72 49.342 9.312 12.729 562 1HG1 ILE 72 HG12 ILE 72 48.647 6.730 12.120 563 2HG1 ILE 72 HG11 ILE 72 48.335 7.544 10.586 564 1HG2 ILE 72 HG21 ILE 72 46.996 9.405 13.739 565 2HG2 ILE 72 HG22 ILE 72 47.963 7.994 14.169 566 3HG2 ILE 72 HG23 ILE 72 46.698 7.857 12.948 567 1HD1 ILE 72 HD11 ILE 72 50.561 8.226 10.344 568 2HD1 ILE 72 HD12 ILE 72 50.741 6.630 11.072 569 3HD1 ILE 72 HD13 ILE 72 50.896 8.077 12.069 570 H LYS 73 HN LYS 73 48.368 10.687 13.660 571 HA LYS 73 HA LYS 73 47.899 13.531 13.083 572 1HB LYS 73 HB2 LYS 73 49.066 12.551 15.667 573 2HB LYS 73 HB1 LYS 73 47.908 13.851 15.388 574 1HG LYS 73 HG2 LYS 73 46.582 11.601 14.443 575 2HG LYS 73 HG1 LYS 73 47.421 11.010 15.877 576 1HD LYS 73 HD2 LYS 73 46.067 13.645 16.131 577 2HD LYS 73 HD1 LYS 73 45.020 12.231 16.005 578 1HE LYS 73 HE2 LYS 73 46.902 11.345 17.785 579 2HE LYS 73 HE1 LYS 73 46.809 13.056 18.203 580 1HZ LYS 73 HZ1 LYS 73 44.548 11.138 18.058 581 2HZ LYS 73 HZ2 LYS 73 44.373 12.809 18.311 582 3HZ LYS 73 HZ3 LYS 73 45.185 11.854 19.458 583 H THR 74 HN THR 74 49.515 14.697 12.163 584 HA THR 74 HA THR 74 52.147 14.822 13.328 585 HB THR 74 HB THR 74 52.718 13.968 10.643 586 HG1 THR 74 HG1 THR 74 51.204 12.512 10.498 587 1HG2 THR 74 HG21 THR 74 54.124 13.998 12.811 588 2HG2 THR 74 HG22 THR 74 54.320 12.617 11.731 589 3HG2 THR 74 HG23 THR 74 53.333 12.467 13.184 590 H ARG 75 HN ARG 75 51.663 17.071 13.222 591 HA ARG 75 HA ARG 75 51.831 18.208 10.460 592 1HB ARG 75 HB2 ARG 75 49.895 18.766 12.650 593 2HB ARG 75 HB1 ARG 75 50.495 20.162 11.754 594 1HG ARG 75 HG2 ARG 75 49.392 17.689 10.401 595 2HG ARG 75 HG1 ARG 75 48.398 19.092 10.798 596 1HD ARG 75 HD2 ARG 75 50.148 20.482 9.525 597 2HD ARG 75 HD1 ARG 75 50.739 18.944 8.896 598 HE ARG 75 HE ARG 75 48.519 18.619 7.849 599 1HH1 ARG 75 HH11 ARG 75 49.882 21.640 7.886 600 2HH1 ARG 75 HH12 ARG 75 48.429 22.516 7.533 601 1HH2 ARG 75 HH21 ARG 75 46.356 19.768 7.954 602 2HH2 ARG 75 HH22 ARG 75 46.433 21.456 7.572 603 H LYS 76 HN LYS 76 54.156 17.835 11.778 604 HA LYS 76 HA LYS 76 54.908 20.611 12.526 605 1HB LYS 76 HB2 LYS 76 54.999 18.226 14.280 606 2HB LYS 76 HB1 LYS 76 56.468 19.202 14.259 607 1HG LYS 76 HG2 LYS 76 55.259 21.182 14.895 608 2HG LYS 76 HG1 LYS 76 53.707 20.375 14.666 609 1HD LYS 76 HD2 LYS 76 54.085 18.927 16.543 610 2HD LYS 76 HD1 LYS 76 55.768 19.437 16.673 611 1HE LYS 76 HE2 LYS 76 55.218 21.257 17.892 612 2HE LYS 76 HE1 LYS 76 53.932 21.703 16.771 613 1HZ LYS 76 HZ1 LYS 76 52.439 20.227 17.828 614 2HZ LYS 76 HZ2 LYS 76 53.187 21.119 19.065 615 3HZ LYS 76 HZ3 LYS 76 53.669 19.520 18.758 616 H ASN 77 HN ASN 77 55.962 17.326 11.680 617 HA ASN 77 HA ASN 77 57.767 16.618 10.357 618 1HB ASN 77 HB2 ASN 77 57.269 19.418 9.490 619 2HB ASN 77 HB1 ASN 77 58.843 18.740 9.072 620 1HD2 ASN 77 HD21 ASN 77 55.332 18.273 8.650 621 2HD2 ASN 77 HD22 ASN 77 55.464 17.237 7.312 Start of MODEL 27 1 1H MET 1 HT1 MET 1 54.811 18.143 -13.263 2 2H MET 1 HT2 MET 1 53.160 18.500 -13.441 3 3H MET 1 HT3 MET 1 53.873 18.513 -11.899 4 HA MET 1 HA MET 1 54.963 20.297 -13.953 5 1HB MET 1 HB2 MET 1 53.294 22.024 -13.251 6 2HB MET 1 HB1 MET 1 52.560 20.682 -14.131 7 1HG MET 1 HG2 MET 1 52.399 19.729 -11.597 8 2HG MET 1 HG1 MET 1 52.268 21.460 -11.285 9 1HE MET 1 HE1 MET 1 49.559 18.780 -11.367 10 2HE MET 1 HE2 MET 1 48.791 20.285 -10.867 11 3HE MET 1 HE3 MET 1 50.418 19.907 -10.308 12 H ASP 2 HN ASP 2 55.712 18.817 -11.383 13 HA ASP 2 HA ASP 2 56.527 21.255 -9.852 14 1HB ASP 2 HB2 ASP 2 55.693 18.536 -8.802 15 2HB ASP 2 HB1 ASP 2 56.488 19.761 -7.812 16 H ARG 3 HN ARG 3 58.366 20.872 -11.534 17 HA ARG 3 HA ARG 3 60.181 18.659 -10.831 18 1HB ARG 3 HB2 ARG 3 60.344 20.904 -12.859 19 2HB ARG 3 HB1 ARG 3 61.634 19.726 -12.615 20 1HG ARG 3 HG2 ARG 3 58.865 18.682 -13.016 21 2HG ARG 3 HG1 ARG 3 59.712 19.325 -14.424 22 1HD ARG 3 HD2 ARG 3 60.761 17.172 -12.562 23 2HD ARG 3 HD1 ARG 3 60.135 16.910 -14.190 24 HE ARG 3 HE ARG 3 62.799 17.722 -13.586 25 1HH1 ARG 3 HH11 ARG 3 61.553 20.266 -14.720 26 2HH1 ARG 3 HH12 ARG 3 61.914 20.091 -16.405 27 1HH2 ARG 3 HH21 ARG 3 62.664 16.713 -16.165 28 2HH2 ARG 3 HH22 ARG 3 62.542 18.079 -17.223 29 H PHE 4 HN PHE 4 60.775 22.171 -11.226 30 HA PHE 4 HA PHE 4 62.773 21.974 -9.034 31 1HB PHE 4 HB2 PHE 4 62.211 24.236 -10.978 32 2HB PHE 4 HB1 PHE 4 63.543 24.174 -9.824 33 HD1 PHE 4 HD1 PHE 4 62.618 23.513 -13.156 34 HD2 PHE 4 HD2 PHE 4 64.997 21.936 -9.945 35 HE1 PHE 4 HE1 PHE 4 63.980 22.239 -14.791 36 HE2 PHE 4 HE2 PHE 4 66.358 20.661 -11.581 37 HZ PHE 4 HZ PHE 4 65.849 20.812 -14.003 38 H HIS 5 HN HIS 5 60.815 21.774 -7.532 39 HA HIS 5 HA HIS 5 59.744 24.496 -6.900 40 1HB HIS 5 HB2 HIS 5 58.495 21.804 -6.935 41 2HB HIS 5 HB1 HIS 5 58.061 22.833 -5.570 42 HD1 HIS 5 HD1 HIS 5 58.484 23.388 -9.334 43 HD2 HIS 5 HD2 HIS 5 55.881 24.374 -6.231 44 HE1 HIS 5 HE1 HIS 5 56.641 24.788 -10.362 45 H ALA 6 HN ALA 6 58.885 24.159 -4.351 46 HA ALA 6 HA ALA 6 61.313 23.216 -2.877 47 1HB ALA 6 HB1 ALA 6 60.546 25.099 -1.211 48 2HB ALA 6 HB2 ALA 6 59.723 25.755 -2.626 49 3HB ALA 6 HB3 ALA 6 61.473 25.537 -2.646 50 H THR 7 HN THR 7 60.449 21.256 -2.155 51 HA THR 7 HA THR 7 58.218 21.510 -0.203 52 HB THR 7 HB THR 7 57.090 20.700 -2.167 53 HG1 THR 7 HG1 THR 7 57.725 18.324 -0.805 54 1HG2 THR 7 HG21 THR 7 59.646 19.313 -2.568 55 2HG2 THR 7 HG22 THR 7 58.451 19.834 -3.756 56 3HG2 THR 7 HG23 THR 7 58.240 18.304 -2.905 57 H SER 8 HN SER 8 58.105 19.489 1.195 58 HA SER 8 HA SER 8 60.882 18.556 1.731 59 1HB SER 8 HB2 SER 8 60.065 17.988 3.963 60 2HB SER 8 HB1 SER 8 59.623 19.650 3.585 61 HG SER 8 HG SER 8 57.860 18.480 4.440 62 H ALA 9 HN ALA 9 61.378 16.559 0.979 63 HA ALA 9 HA ALA 9 59.262 14.714 0.143 64 1HB ALA 9 HB1 ALA 9 61.881 15.148 -0.648 65 2HB ALA 9 HB2 ALA 9 60.888 13.769 -1.120 66 3HB ALA 9 HB3 ALA 9 61.987 13.635 0.253 67 H ASP 10 HN ASP 10 58.224 13.609 1.744 68 HA ASP 10 HA ASP 10 59.885 12.056 3.644 69 1HB ASP 10 HB2 ASP 10 58.964 14.399 4.551 70 2HB ASP 10 HB1 ASP 10 57.504 13.441 4.798 71 H CYS 11 HN CYS 11 56.626 12.792 2.412 72 HA CYS 11 HA CYS 11 55.728 10.073 3.180 73 1HB CYS 11 HB2 CYS 11 54.050 12.080 1.688 74 2HB CYS 11 HB1 CYS 11 53.534 10.826 2.816 75 H CYS 12 HN CYS 12 54.188 9.128 1.296 76 HA CYS 12 HA CYS 12 55.966 8.926 -1.081 77 1HB CYS 12 HB2 CYS 12 53.747 7.179 0.002 78 2HB CYS 12 HB1 CYS 12 54.433 6.940 -1.604 79 H ILE 13 HN ILE 13 55.303 9.664 -3.066 80 HA ILE 13 HA ILE 13 52.580 10.881 -3.198 81 HB ILE 13 HB ILE 13 55.055 11.406 -4.875 82 1HG1 ILE 13 HG12 ILE 13 55.213 12.273 -2.572 83 2HG1 ILE 13 HG11 ILE 13 55.024 13.599 -3.720 84 1HG2 ILE 13 HG21 ILE 13 53.785 12.686 -6.258 85 2HG2 ILE 13 HG22 ILE 13 52.802 13.304 -4.930 86 3HG2 ILE 13 HG23 ILE 13 52.435 11.732 -5.642 87 1HD1 ILE 13 HD11 ILE 13 52.569 13.596 -3.255 88 2HD1 ILE 13 HD12 ILE 13 53.532 13.968 -1.826 89 3HD1 ILE 13 HD13 ILE 13 52.835 12.360 -2.026 90 H SER 14 HN SER 14 54.759 8.590 -4.727 91 HA SER 14 HA SER 14 52.508 7.342 -6.110 92 1HB SER 14 HB2 SER 14 53.277 9.272 -7.611 93 2HB SER 14 HB1 SER 14 54.777 8.373 -7.825 94 HG SER 14 HG SER 14 52.269 7.143 -8.208 95 H TYR 15 HN TYR 15 52.909 5.179 -6.101 96 HA TYR 15 HA TYR 15 55.541 4.217 -5.259 97 1HB TYR 15 HB2 TYR 15 53.168 2.566 -6.164 98 2HB TYR 15 HB1 TYR 15 54.507 2.050 -5.137 99 HD1 TYR 15 HD1 TYR 15 54.567 2.574 -2.792 100 HD2 TYR 15 HD2 TYR 15 51.498 4.211 -5.312 101 HE1 TYR 15 HE1 TYR 15 53.326 3.336 -0.785 102 HE2 TYR 15 HE2 TYR 15 50.257 4.974 -3.305 103 HH TYR 15 HH TYR 15 51.194 4.005 -0.089 104 H THR 16 HN THR 16 56.745 2.580 -6.510 105 HA THR 16 HA THR 16 56.883 3.324 -9.336 106 HB THR 16 HB THR 16 58.902 2.857 -7.886 107 HG1 THR 16 HG1 THR 16 59.893 1.551 -9.560 108 1HG2 THR 16 HG21 THR 16 58.198 -0.046 -8.322 109 2HG2 THR 16 HG22 THR 16 57.755 0.809 -6.844 110 3HG2 THR 16 HG23 THR 16 59.454 0.629 -7.283 111 HA PRO 17 HA PRO 17 54.138 -0.061 -10.369 112 1HB PRO 17 HB2 PRO 17 53.940 0.603 -13.029 113 2HB PRO 17 HB1 PRO 17 53.013 1.405 -11.749 114 1HG PRO 17 HG2 PRO 17 55.369 2.414 -13.271 115 2HG PRO 17 HG1 PRO 17 54.069 3.323 -12.484 116 1HD PRO 17 HD2 PRO 17 56.681 2.939 -11.460 117 2HD PRO 17 HD1 PRO 17 55.284 3.559 -10.555 118 H ARG 18 HN ARG 18 56.442 -1.199 -9.963 119 HA ARG 18 HA ARG 18 56.976 -2.767 -12.393 120 1HB ARG 18 HB2 ARG 18 59.018 -0.945 -11.121 121 2HB ARG 18 HB1 ARG 18 59.511 -2.389 -12.007 122 1HG ARG 18 HG2 ARG 18 58.245 -1.592 -13.985 123 2HG ARG 18 HG1 ARG 18 57.811 -0.128 -13.101 124 1HD ARG 18 HD2 ARG 18 59.822 0.816 -13.500 125 2HD ARG 18 HD1 ARG 18 60.679 -0.642 -13.003 126 HE ARG 18 HE ARG 18 59.446 -0.824 -15.656 127 1HH1 ARG 18 HH11 ARG 18 62.058 0.623 -13.985 128 2HH1 ARG 18 HH12 ARG 18 63.243 0.204 -15.176 129 1HH2 ARG 18 HH21 ARG 18 61.029 -1.629 -17.116 130 2HH2 ARG 18 HH22 ARG 18 62.661 -1.072 -16.949 131 H SER 19 HN SER 19 58.579 -4.582 -11.829 132 HA SER 19 HA SER 19 57.879 -5.584 -9.132 133 1HB SER 19 HB2 SER 19 59.189 -6.918 -11.517 134 2HB SER 19 HB1 SER 19 58.871 -7.726 -9.985 135 HG SER 19 HG SER 19 57.238 -7.536 -11.968 136 H ILE 20 HN ILE 20 59.291 -5.222 -7.500 137 HA ILE 20 HA ILE 20 62.173 -4.865 -8.191 138 HB ILE 20 HB ILE 20 60.780 -4.031 -5.636 139 1HG1 ILE 20 HG12 ILE 20 61.483 -1.810 -7.293 140 2HG1 ILE 20 HG11 ILE 20 60.525 -2.927 -8.266 141 1HG2 ILE 20 HG21 ILE 20 62.845 -3.425 -4.977 142 2HG2 ILE 20 HG22 ILE 20 63.064 -2.469 -6.443 143 3HG2 ILE 20 HG23 ILE 20 63.496 -4.179 -6.433 144 1HD1 ILE 20 HD11 ILE 20 59.563 -1.099 -6.351 145 2HD1 ILE 20 HD12 ILE 20 59.402 -2.690 -5.609 146 3HD1 ILE 20 HD13 ILE 20 58.643 -2.364 -7.167 147 HA PRO 21 HA PRO 21 62.462 -8.816 -6.074 148 1HB PRO 21 HB2 PRO 21 65.056 -9.291 -6.851 149 2HB PRO 21 HB1 PRO 21 63.651 -9.610 -7.882 150 1HG PRO 21 HG2 PRO 21 65.640 -7.394 -8.053 151 2HG PRO 21 HG1 PRO 21 64.657 -8.121 -9.335 152 1HD PRO 21 HD2 PRO 21 64.135 -5.657 -8.048 153 2HD PRO 21 HD1 PRO 21 62.999 -6.559 -9.073 154 H CYS 22 HN CYS 22 62.728 -8.654 -3.873 155 HA CYS 22 HA CYS 22 64.182 -6.775 -2.434 156 1HB CYS 22 HB2 CYS 22 62.620 -8.680 -1.596 157 2HB CYS 22 HB1 CYS 22 64.095 -9.642 -1.509 158 H SER 23 HN SER 23 65.380 -9.721 -3.965 159 HA SER 23 HA SER 23 67.923 -9.913 -2.773 160 1HB SER 23 HB2 SER 23 67.704 -10.286 -5.732 161 2HB SER 23 HB1 SER 23 68.486 -11.310 -4.531 162 HG SER 23 HG SER 23 65.769 -11.090 -5.229 163 H LEU 24 HN LEU 24 66.653 -7.459 -4.844 164 HA LEU 24 HA LEU 24 69.402 -6.357 -5.248 165 1HB LEU 24 HB2 LEU 24 67.257 -6.690 -7.048 166 2HB LEU 24 HB1 LEU 24 67.336 -4.960 -6.716 167 HG LEU 24 HG LEU 24 69.967 -5.458 -7.013 168 1HD1 LEU 24 HD11 LEU 24 68.483 -7.560 -8.597 169 2HD1 LEU 24 HD12 LEU 24 69.866 -7.775 -7.524 170 3HD1 LEU 24 HD13 LEU 24 70.076 -6.982 -9.085 171 1HD2 LEU 24 HD21 LEU 24 69.128 -5.132 -9.652 172 2HD2 LEU 24 HD22 LEU 24 69.414 -3.836 -8.491 173 3HD2 LEU 24 HD23 LEU 24 67.789 -4.487 -8.703 174 H LEU 25 HN LEU 25 67.784 -6.146 -2.772 175 HA LEU 25 HA LEU 25 67.518 -3.166 -2.716 176 1HB LEU 25 HB2 LEU 25 65.848 -5.255 -1.289 177 2HB LEU 25 HB1 LEU 25 65.784 -3.530 -0.925 178 HG LEU 25 HG LEU 25 65.235 -4.756 -3.644 179 1HD1 LEU 25 HD11 LEU 25 63.007 -4.760 -3.144 180 2HD1 LEU 25 HD12 LEU 25 63.127 -3.309 -2.148 181 3HD1 LEU 25 HD13 LEU 25 63.586 -4.876 -1.483 182 1HD2 LEU 25 HD21 LEU 25 66.129 -2.513 -3.858 183 2HD2 LEU 25 HD22 LEU 25 65.076 -1.923 -2.572 184 3HD2 LEU 25 HD23 LEU 25 64.386 -2.427 -4.115 185 H GLU 26 HN GLU 26 68.553 -2.146 -1.011 186 HA GLU 26 HA GLU 26 70.347 -3.840 0.616 187 1HB GLU 26 HB2 GLU 26 71.086 -1.696 -0.566 188 2HB GLU 26 HB1 GLU 26 70.155 -0.821 0.651 189 1HG GLU 26 HG2 GLU 26 71.469 -1.995 2.430 190 2HG GLU 26 HG1 GLU 26 72.463 -2.719 1.165 191 H SER 27 HN SER 27 67.572 -1.687 1.012 192 HA SER 27 HA SER 27 66.779 -2.916 3.472 193 1HB SER 27 HB2 SER 27 68.824 -0.941 3.740 194 2HB SER 27 HB1 SER 27 67.334 -0.263 4.390 195 HG SER 27 HG SER 27 67.734 -1.472 6.055 196 H TYR 28 HN TYR 28 65.003 -1.512 4.556 197 HA TYR 28 HA TYR 28 63.782 0.472 2.742 198 1HB TYR 28 HB2 TYR 28 61.705 -0.713 2.477 199 2HB TYR 28 HB1 TYR 28 62.989 -1.828 2.010 200 HD1 TYR 28 HD1 TYR 28 63.539 -3.762 3.364 201 HD2 TYR 28 HD2 TYR 28 60.539 -0.964 4.639 202 HE1 TYR 28 HE1 TYR 28 62.781 -5.365 5.099 203 HE2 TYR 28 HE2 TYR 28 59.781 -2.566 6.373 204 HH TYR 28 HH TYR 28 60.433 -4.457 7.538 205 H PHE 29 HN PHE 29 61.954 1.587 3.811 206 HA PHE 29 HA PHE 29 61.713 1.095 6.728 207 1HB PHE 29 HB2 PHE 29 61.882 3.741 6.885 208 2HB PHE 29 HB1 PHE 29 63.333 2.741 6.944 209 HD1 PHE 29 HD1 PHE 29 64.493 2.215 4.675 210 HD2 PHE 29 HD2 PHE 29 61.667 5.401 5.238 211 HE1 PHE 29 HE1 PHE 29 65.353 3.339 2.638 212 HE2 PHE 29 HE2 PHE 29 62.527 6.524 3.201 213 HZ PHE 29 HZ PHE 29 64.370 5.493 1.901 214 H GLU 30 HN GLU 30 59.921 2.556 7.640 215 HA GLU 30 HA GLU 30 57.753 2.733 5.596 216 1HB GLU 30 HB2 GLU 30 57.522 2.601 8.618 217 2HB GLU 30 HB1 GLU 30 56.193 2.513 7.461 218 1HG GLU 30 HG2 GLU 30 56.645 0.252 8.028 219 2HG GLU 30 HG1 GLU 30 57.422 0.485 6.462 220 H THR 31 HN THR 31 56.688 4.679 5.283 221 HA THR 31 HA THR 31 58.005 7.097 6.155 222 HB THR 31 HB THR 31 56.359 8.254 4.875 223 HG1 THR 31 HG1 THR 31 54.524 7.336 5.793 224 1HG2 THR 31 HG21 THR 31 56.121 5.823 3.259 225 2HG2 THR 31 HG22 THR 31 57.764 6.110 3.831 226 3HG2 THR 31 HG23 THR 31 56.931 7.345 2.886 227 H ASN 32 HN ASN 32 56.725 8.880 7.292 228 HA ASN 32 HA ASN 32 55.889 7.964 9.876 229 1HB ASN 32 HB2 ASN 32 56.191 10.527 8.493 230 2HB ASN 32 HB1 ASN 32 54.825 10.515 9.610 231 1HD2 ASN 32 HD21 ASN 32 56.825 12.154 10.428 232 2HD2 ASN 32 HD22 ASN 32 57.752 11.452 11.665 233 H SER 33 HN SER 33 53.878 7.404 10.621 234 HA SER 33 HA SER 33 51.750 6.856 8.793 235 1HB SER 33 HB2 SER 33 51.817 5.618 10.843 236 2HB SER 33 HB1 SER 33 51.835 7.090 11.809 237 HG SER 33 HG SER 33 49.737 7.398 11.402 238 H GLU 34 HN GLU 34 52.774 9.786 10.183 239 HA GLU 34 HA GLU 34 50.239 11.120 10.450 240 1HB GLU 34 HB2 GLU 34 53.059 12.128 10.015 241 2HB GLU 34 HB1 GLU 34 51.682 13.215 10.198 242 1HG GLU 34 HG2 GLU 34 51.225 11.672 12.330 243 2HG GLU 34 HG1 GLU 34 52.968 11.428 12.216 244 H CYS 35 HN CYS 35 52.326 10.424 7.727 245 HA CYS 35 HA CYS 35 51.194 12.361 5.915 246 1HB CYS 35 HB2 CYS 35 52.576 9.716 5.369 247 2HB CYS 35 HB1 CYS 35 52.210 10.931 4.145 248 H SER 36 HN SER 36 49.244 12.297 4.899 249 HA SER 36 HA SER 36 47.252 10.376 5.486 250 1HB SER 36 HB2 SER 36 45.912 11.481 3.895 251 2HB SER 36 HB1 SER 36 47.042 12.734 4.402 252 HG SER 36 HG SER 36 48.346 12.047 2.569 253 H LYS 37 HN LYS 37 49.783 10.363 3.071 254 HA LYS 37 HA LYS 37 48.703 7.766 2.047 255 1HB LYS 37 HB2 LYS 37 50.117 10.035 0.682 256 2HB LYS 37 HB1 LYS 37 50.317 8.397 0.057 257 1HG LYS 37 HG2 LYS 37 47.537 9.248 0.693 258 2HG LYS 37 HG1 LYS 37 48.292 9.999 -0.713 259 1HD LYS 37 HD2 LYS 37 48.985 7.549 -1.326 260 2HD LYS 37 HD1 LYS 37 47.685 7.095 -0.222 261 1HE LYS 37 HE2 LYS 37 46.199 8.711 -1.540 262 2HE LYS 37 HE1 LYS 37 47.485 8.747 -2.747 263 1HZ LYS 37 HZ1 LYS 37 47.079 6.086 -2.134 264 2HZ LYS 37 HZ2 LYS 37 46.640 6.889 -3.566 265 3HZ LYS 37 HZ3 LYS 37 45.528 6.753 -2.289 266 HA PRO 38 HA PRO 38 52.680 6.878 4.167 267 1HB PRO 38 HB2 PRO 38 51.715 4.687 5.518 268 2HB PRO 38 HB1 PRO 38 51.622 6.342 6.145 269 1HG PRO 38 HG2 PRO 38 49.454 4.648 4.994 270 2HG PRO 38 HG1 PRO 38 49.341 5.976 6.161 271 1HD PRO 38 HD2 PRO 38 48.738 6.139 3.399 272 2HD PRO 38 HD1 PRO 38 48.949 7.513 4.505 273 H GLY 39 HN GLY 39 53.923 4.730 4.051 274 1HA GLY 39 HA2 GLY 39 53.099 2.522 2.533 275 2HA GLY 39 HA1 GLY 39 53.832 3.672 1.421 276 H VAL 40 HN VAL 40 55.322 1.619 1.327 277 HA VAL 40 HA VAL 40 57.449 1.924 3.411 278 HB VAL 40 HB VAL 40 57.195 -0.518 1.676 279 1HG1 VAL 40 HG11 VAL 40 59.121 -0.683 2.952 280 2HG1 VAL 40 HG12 VAL 40 57.960 -1.406 4.066 281 3HG1 VAL 40 HG13 VAL 40 58.453 0.275 4.273 282 1HG2 VAL 40 HG21 VAL 40 55.474 0.267 4.020 283 2HG2 VAL 40 HG22 VAL 40 55.862 -1.430 3.737 284 3HG2 VAL 40 HG23 VAL 40 54.999 -0.506 2.508 285 H ILE 41 HN ILE 41 59.332 2.762 2.647 286 HA ILE 41 HA ILE 41 59.703 2.931 -0.293 287 HB ILE 41 HB ILE 41 61.321 4.207 1.934 288 1HG1 ILE 41 HG12 ILE 41 59.036 5.284 0.250 289 2HG1 ILE 41 HG11 ILE 41 59.011 5.008 1.992 290 1HG2 ILE 41 HG21 ILE 41 61.739 3.948 -0.881 291 2HG2 ILE 41 HG22 ILE 41 62.698 4.864 0.282 292 3HG2 ILE 41 HG23 ILE 41 61.344 5.633 -0.544 293 1HD1 ILE 41 HD11 ILE 41 59.526 7.420 1.014 294 2HD1 ILE 41 HD12 ILE 41 61.156 6.764 0.862 295 3HD1 ILE 41 HD13 ILE 41 60.375 6.827 2.442 296 H PHE 42 HN PHE 42 61.460 1.960 -1.335 297 HA PHE 42 HA PHE 42 63.114 0.142 0.373 298 1HB PHE 42 HB2 PHE 42 61.954 -0.227 -2.390 299 2HB PHE 42 HB1 PHE 42 63.311 -1.201 -1.822 300 HD1 PHE 42 HD1 PHE 42 59.735 -0.460 -1.413 301 HD2 PHE 42 HD2 PHE 42 63.050 -2.765 0.053 302 HE1 PHE 42 HE1 PHE 42 58.167 -1.923 -0.168 303 HE2 PHE 42 HE2 PHE 42 61.483 -4.229 1.298 304 HZ PHE 42 HZ PHE 42 59.041 -3.808 1.187 305 H LEU 43 HN LEU 43 65.304 0.383 0.214 306 HA LEU 43 HA LEU 43 66.308 2.336 -1.805 307 1HB LEU 43 HB2 LEU 43 66.676 2.663 0.727 308 2HB LEU 43 HB1 LEU 43 67.821 1.327 0.607 309 HG LEU 43 HG LEU 43 68.175 3.350 -1.491 310 1HD1 LEU 43 HD11 LEU 43 67.500 4.447 0.921 311 2HD1 LEU 43 HD12 LEU 43 68.578 5.215 -0.245 312 3HD1 LEU 43 HD13 LEU 43 69.248 4.289 1.099 313 1HD2 LEU 43 HD21 LEU 43 70.421 2.945 0.265 314 2HD2 LEU 43 HD22 LEU 43 70.218 2.404 -1.402 315 3HD2 LEU 43 HD23 LEU 43 69.662 1.389 -0.071 316 H THR 44 HN THR 44 67.329 1.445 -3.531 317 HA THR 44 HA THR 44 68.087 -1.361 -3.560 318 HB THR 44 HB THR 44 68.727 -0.981 -5.840 319 HG1 THR 44 HG1 THR 44 68.586 1.480 -6.361 320 1HG2 THR 44 HG21 THR 44 66.650 1.107 -5.801 321 2HG2 THR 44 HG22 THR 44 66.236 -0.343 -4.886 322 3HG2 THR 44 HG23 THR 44 66.650 -0.467 -6.596 323 H LYS 45 HN LYS 45 70.377 -1.993 -4.242 324 HA LYS 45 HA LYS 45 72.256 -0.842 -2.333 325 1HB LYS 45 HB2 LYS 45 72.131 -3.299 -3.020 326 2HB LYS 45 HB1 LYS 45 72.895 -2.816 -4.535 327 1HG LYS 45 HG2 LYS 45 74.846 -2.002 -3.384 328 2HG LYS 45 HG1 LYS 45 74.063 -2.184 -1.813 329 1HD LYS 45 HD2 LYS 45 74.208 -4.521 -1.864 330 2HD LYS 45 HD1 LYS 45 74.379 -4.568 -3.620 331 1HE LYS 45 HE2 LYS 45 76.618 -3.519 -3.414 332 2HE LYS 45 HE1 LYS 45 76.450 -3.535 -1.658 333 1HZ LYS 45 HZ1 LYS 45 76.208 -5.953 -1.764 334 2HZ LYS 45 HZ2 LYS 45 77.701 -5.442 -2.394 335 3HZ LYS 45 HZ3 LYS 45 76.448 -5.909 -3.442 336 H LYS 46 HN LYS 46 71.303 0.019 -5.442 337 HA LYS 46 HA LYS 46 73.939 0.984 -6.320 338 1HB LYS 46 HB2 LYS 46 72.159 0.121 -7.908 339 2HB LYS 46 HB1 LYS 46 71.232 1.576 -7.539 340 1HG LYS 46 HG2 LYS 46 74.089 1.928 -8.329 341 2HG LYS 46 HG1 LYS 46 72.940 1.492 -9.594 342 1HD LYS 46 HD2 LYS 46 71.706 3.501 -8.005 343 2HD LYS 46 HD1 LYS 46 73.344 4.053 -8.360 344 1HE LYS 46 HE2 LYS 46 72.994 4.042 -10.665 345 2HE LYS 46 HE1 LYS 46 71.685 2.865 -10.562 346 1HZ LYS 46 HZ1 LYS 46 70.183 4.461 -10.245 347 2HZ LYS 46 HZ2 LYS 46 71.371 5.541 -10.801 348 3HZ LYS 46 HZ3 LYS 46 71.152 5.299 -9.134 349 H GLY 47 HN GLY 47 70.807 2.642 -5.940 350 1HA GLY 47 HA2 GLY 47 71.398 4.515 -4.028 351 2HA GLY 47 HA1 GLY 47 72.118 5.173 -5.493 352 H ARG 48 HN ARG 48 69.061 3.426 -4.868 353 HA ARG 48 HA ARG 48 67.588 5.809 -5.864 354 1HB ARG 48 HB2 ARG 48 68.017 4.226 -7.782 355 2HB ARG 48 HB1 ARG 48 67.078 3.012 -6.912 356 1HG ARG 48 HG2 ARG 48 65.578 4.109 -8.449 357 2HG ARG 48 HG1 ARG 48 65.176 4.677 -6.828 358 1HD ARG 48 HD2 ARG 48 65.817 6.805 -7.288 359 2HD ARG 48 HD1 ARG 48 67.250 6.277 -8.168 360 HE ARG 48 HE ARG 48 65.055 5.654 -9.811 361 1HH1 ARG 48 HH21 ARG 48 66.783 8.336 -8.512 362 2HH1 ARG 48 HH22 ARG 48 66.175 9.463 -9.678 363 1HH2 ARG 48 HH11 ARG 48 64.140 7.144 -11.258 364 2HH2 ARG 48 HH12 ARG 48 64.680 8.790 -11.231 365 H ARG 49 HN ARG 49 65.671 6.113 -4.783 366 HA ARG 49 HA ARG 49 64.764 3.895 -2.989 367 1HB ARG 49 HB2 ARG 49 63.975 5.704 -1.439 368 2HB ARG 49 HB1 ARG 49 65.728 5.674 -1.636 369 1HG ARG 49 HG2 ARG 49 64.455 7.333 -3.663 370 2HG ARG 49 HG1 ARG 49 64.059 7.882 -2.034 371 1HD ARG 49 HD2 ARG 49 66.871 7.147 -2.276 372 2HD ARG 49 HD1 ARG 49 66.423 8.418 -3.414 373 HE ARG 49 HE ARG 49 65.999 8.625 -0.459 374 1HH1 ARG 49 HH21 ARG 49 68.250 9.906 -2.241 375 2HH1 ARG 49 HH22 ARG 49 67.682 11.542 -2.285 376 1HH2 ARG 49 HH11 ARG 49 64.523 10.754 -1.090 377 2HH2 ARG 49 HH12 ARG 49 65.571 12.021 -1.632 378 H PHE 50 HN PHE 50 62.672 3.282 -3.331 379 HA PHE 50 HA PHE 50 60.846 5.230 -4.669 380 1HB PHE 50 HB2 PHE 50 59.920 3.264 -5.969 381 2HB PHE 50 HB1 PHE 50 61.555 3.741 -6.427 382 HD1 PHE 50 HD1 PHE 50 59.495 1.181 -4.791 383 HD2 PHE 50 HD2 PHE 50 63.501 2.389 -5.761 384 HE1 PHE 50 HE1 PHE 50 60.314 -1.096 -4.246 385 HE2 PHE 50 HE2 PHE 50 64.320 0.112 -5.217 386 HZ PHE 50 HZ PHE 50 62.726 -1.630 -4.459 387 H CYS 51 HN CYS 51 58.570 4.822 -4.230 388 HA CYS 51 HA CYS 51 58.162 3.618 -1.571 389 1HB CYS 51 HB2 CYS 51 56.483 5.317 -3.417 390 2HB CYS 51 HB1 CYS 51 55.788 4.541 -1.998 391 H ALA 52 HN ALA 52 56.633 1.919 -1.203 392 HA ALA 52 HA ALA 52 55.526 0.570 -3.607 393 1HB ALA 52 HB1 ALA 52 57.110 -0.921 -1.496 394 2HB ALA 52 HB2 ALA 52 57.774 -0.441 -3.058 395 3HB ALA 52 HB3 ALA 52 56.432 -1.582 -2.984 396 H ASN 53 HN ASN 53 53.675 -0.714 -3.129 397 HA ASN 53 HA ASN 53 52.169 0.134 -0.823 398 1HB ASN 53 HB2 ASN 53 51.189 -0.594 -3.038 399 2HB ASN 53 HB1 ASN 53 51.600 -2.253 -2.600 400 1HD2 ASN 53 HD21 ASN 53 49.305 0.316 -2.090 401 2HD2 ASN 53 HD22 ASN 53 48.336 -0.497 -0.959 402 HA PRO 54 HA PRO 54 53.727 -2.862 2.024 403 1HB PRO 54 HB2 PRO 54 51.810 -2.497 3.964 404 2HB PRO 54 HB1 PRO 54 53.161 -1.382 3.696 405 1HG PRO 54 HG2 PRO 54 50.285 -1.055 2.971 406 2HG PRO 54 HG1 PRO 54 51.500 0.183 3.330 407 1HD PRO 54 HD2 PRO 54 50.611 -0.545 0.751 408 2HD PRO 54 HD1 PRO 54 52.068 0.404 1.117 409 H SER 55 HN SER 55 50.931 -3.152 0.216 410 HA SER 55 HA SER 55 50.218 -5.768 1.471 411 1HB SER 55 HB2 SER 55 48.592 -4.090 -0.462 412 2HB SER 55 HB1 SER 55 48.058 -5.559 0.350 413 HG SER 55 HG SER 55 47.984 -4.501 2.240 414 H ASP 56 HN ASP 56 51.990 -4.474 -1.036 415 HA ASP 56 HA ASP 56 51.251 -6.251 -3.192 416 1HB ASP 56 HB2 ASP 56 52.560 -4.106 -3.449 417 2HB ASP 56 HB1 ASP 56 53.941 -4.934 -2.728 418 H LYS 57 HN LYS 57 51.800 -8.372 -3.461 419 HA LYS 57 HA LYS 57 52.943 -9.936 -1.422 420 1HB LYS 57 HB2 LYS 57 53.482 -11.550 -3.401 421 2HB LYS 57 HB1 LYS 57 51.795 -11.154 -3.073 422 1HG LYS 57 HG2 LYS 57 51.559 -10.005 -5.018 423 2HG LYS 57 HG1 LYS 57 53.150 -9.258 -4.876 424 1HD LYS 57 HD2 LYS 57 52.977 -10.820 -6.824 425 2HD LYS 57 HD1 LYS 57 54.229 -11.289 -5.674 426 1HE LYS 57 HE2 LYS 57 52.357 -12.738 -4.585 427 2HE LYS 57 HE1 LYS 57 51.524 -12.533 -6.125 428 1HZ LYS 57 HZ1 LYS 57 53.584 -14.308 -5.513 429 2HZ LYS 57 HZ2 LYS 57 54.208 -13.182 -6.621 430 3HZ LYS 57 HZ3 LYS 57 52.816 -14.076 -7.008 431 H GLN 58 HN GLN 58 54.515 -8.237 -4.099 432 HA GLN 58 HA GLN 58 57.114 -9.394 -3.755 433 1HB GLN 58 HB2 GLN 58 56.040 -7.667 -5.559 434 2HB GLN 58 HB1 GLN 58 56.976 -6.545 -4.571 435 1HG GLN 58 HG2 GLN 58 58.968 -7.380 -5.285 436 2HG GLN 58 HG1 GLN 58 58.387 -9.046 -5.255 437 1HE2 GLN 58 HE21 GLN 58 56.571 -6.587 -7.012 438 2HE2 GLN 58 HE22 GLN 58 56.963 -7.145 -8.566 439 H VAL 59 HN VAL 59 55.401 -6.826 -2.085 440 HA VAL 59 HA VAL 59 57.785 -5.882 -0.675 441 HB VAL 59 HB VAL 59 54.822 -5.379 -0.280 442 1HG1 VAL 59 HG11 VAL 59 57.085 -4.905 1.498 443 2HG1 VAL 59 HG12 VAL 59 55.360 -4.714 1.810 444 3HG1 VAL 59 HG13 VAL 59 56.270 -3.403 1.060 445 1HG2 VAL 59 HG21 VAL 59 57.133 -3.815 -1.454 446 2HG2 VAL 59 HG22 VAL 59 55.617 -3.045 -0.988 447 3HG2 VAL 59 HG23 VAL 59 55.628 -4.282 -2.246 448 H GLN 60 HN GLN 60 55.071 -8.057 -0.030 449 HA GLN 60 HA GLN 60 55.697 -8.522 2.740 450 1HB GLN 60 HB2 GLN 60 54.147 -10.080 0.665 451 2HB GLN 60 HB1 GLN 60 54.363 -10.683 2.309 452 1HG GLN 60 HG2 GLN 60 53.587 -8.099 2.782 453 2HG GLN 60 HG1 GLN 60 52.668 -8.479 1.325 454 1HE2 GLN 60 HE21 GLN 60 51.082 -10.227 1.446 455 2HE2 GLN 60 HE22 GLN 60 50.562 -10.844 2.940 456 H VAL 61 HN VAL 61 56.794 -9.960 -0.293 457 HA VAL 61 HA VAL 61 58.195 -12.167 0.966 458 HB VAL 61 HB VAL 61 58.413 -10.887 -1.771 459 1HG1 VAL 61 HG11 VAL 61 59.532 -13.459 -1.839 460 2HG1 VAL 61 HG12 VAL 61 60.223 -12.702 -0.404 461 3HG1 VAL 61 HG13 VAL 61 60.401 -11.931 -1.980 462 1HG2 VAL 61 HG21 VAL 61 57.548 -13.390 -2.196 463 2HG2 VAL 61 HG22 VAL 61 56.433 -12.074 -1.826 464 3HG2 VAL 61 HG23 VAL 61 56.942 -13.183 -0.552 465 H CYS 62 HN CYS 62 59.090 -8.903 -0.097 466 HA CYS 62 HA CYS 62 61.907 -9.251 0.538 467 1HB CYS 62 HB2 CYS 62 61.127 -7.573 -1.113 468 2HB CYS 62 HB1 CYS 62 60.290 -6.708 0.176 469 H MET 63 HN MET 63 59.056 -8.036 2.233 470 HA MET 63 HA MET 63 60.362 -6.810 4.439 471 1HB MET 63 HB2 MET 63 57.673 -7.812 3.827 472 2HB MET 63 HB1 MET 63 58.090 -7.953 5.535 473 1HG MET 63 HG2 MET 63 59.029 -5.458 5.016 474 2HG MET 63 HG1 MET 63 57.677 -5.526 3.885 475 1HE MET 63 HE1 MET 63 55.758 -4.425 4.479 476 2HE MET 63 HE2 MET 63 54.689 -4.905 5.795 477 3HE MET 63 HE3 MET 63 55.174 -6.091 4.586 478 H ARG 64 HN ARG 64 59.100 -10.153 4.157 479 HA ARG 64 HA ARG 64 60.194 -11.045 6.649 480 1HB ARG 64 HB2 ARG 64 58.700 -12.172 4.506 481 2HB ARG 64 HB1 ARG 64 60.117 -13.195 4.744 482 1HG ARG 64 HG2 ARG 64 59.090 -14.109 6.525 483 2HG ARG 64 HG1 ARG 64 59.197 -12.544 7.331 484 1HD ARG 64 HD2 ARG 64 57.063 -11.896 6.114 485 2HD ARG 64 HD1 ARG 64 56.925 -13.584 5.624 486 HE ARG 64 HE ARG 64 56.076 -12.630 8.117 487 1HH1 ARG 64 HH21 ARG 64 56.208 -15.530 6.893 488 2HH1 ARG 64 HH22 ARG 64 56.946 -16.361 8.221 489 1HH2 ARG 64 HH11 ARG 64 57.925 -13.456 9.840 490 2HH2 ARG 64 HH12 ARG 64 57.918 -15.187 9.889 491 H MET 65 HN MET 65 61.446 -11.189 3.314 492 HA MET 65 HA MET 65 63.821 -12.636 3.846 493 1HB MET 65 HB2 MET 65 62.763 -11.655 1.599 494 2HB MET 65 HB1 MET 65 63.922 -10.362 1.909 495 1HG MET 65 HG2 MET 65 65.314 -11.770 0.746 496 2HG MET 65 HG1 MET 65 65.527 -12.475 2.349 497 1HE MET 65 HE1 MET 65 66.391 -14.485 1.436 498 2HE MET 65 HE2 MET 65 66.127 -14.272 -0.293 499 3HE MET 65 HE3 MET 65 65.540 -15.727 0.508 500 H LEU 66 HN LEU 66 63.505 -9.074 3.576 501 HA LEU 66 HA LEU 66 66.106 -8.635 4.780 502 1HB LEU 66 HB2 LEU 66 63.812 -6.906 3.926 503 2HB LEU 66 HB1 LEU 66 65.033 -6.221 4.999 504 HG LEU 66 HG LEU 66 65.641 -7.604 2.371 505 1HD1 LEU 66 HD11 LEU 66 65.160 -4.740 3.120 506 2HD1 LEU 66 HD12 LEU 66 64.682 -5.608 1.660 507 3HD1 LEU 66 HD13 LEU 66 66.359 -5.107 1.880 508 1HD2 LEU 66 HD21 LEU 66 67.733 -7.674 3.216 509 2HD2 LEU 66 HD22 LEU 66 67.238 -6.772 4.649 510 3HD2 LEU 66 HD23 LEU 66 67.733 -5.911 3.191 511 H LYS 67 HN LYS 67 65.049 -10.267 6.585 512 HA LYS 67 HA LYS 67 63.352 -9.285 8.596 513 1HB LYS 67 HB2 LYS 67 64.141 -11.595 8.609 514 2HB LYS 67 HB1 LYS 67 65.797 -11.055 8.886 515 1HG LYS 67 HG2 LYS 67 65.418 -10.571 11.096 516 2HG LYS 67 HG1 LYS 67 63.747 -10.084 10.810 517 1HD LYS 67 HD2 LYS 67 63.520 -12.694 10.212 518 2HD LYS 67 HD1 LYS 67 64.865 -12.792 11.348 519 1HE LYS 67 HE2 LYS 67 63.597 -11.794 13.099 520 2HE LYS 67 HE1 LYS 67 62.344 -11.251 11.983 521 1HZ LYS 67 HZ1 LYS 67 61.893 -13.631 11.512 522 2HZ LYS 67 HZ2 LYS 67 61.551 -13.170 13.111 523 3HZ LYS 67 HZ3 LYS 67 62.963 -14.046 12.760 524 H LEU 68 HN LEU 68 66.835 -9.492 9.241 525 HA LEU 68 HA LEU 68 66.850 -7.432 11.186 526 1HB LEU 68 HB2 LEU 68 68.783 -9.099 9.877 527 2HB LEU 68 HB1 LEU 68 69.380 -7.439 9.872 528 HG LEU 68 HG LEU 68 70.057 -8.647 11.929 529 1HD1 LEU 68 HD11 LEU 68 69.778 -6.780 13.218 530 2HD1 LEU 68 HD12 LEU 68 68.031 -6.752 12.975 531 3HD1 LEU 68 HD13 LEU 68 69.104 -6.107 11.733 532 1HD2 LEU 68 HD21 LEU 68 67.166 -9.266 11.920 533 2HD2 LEU 68 HD22 LEU 68 67.815 -8.803 13.494 534 3HD2 LEU 68 HD23 LEU 68 68.508 -10.171 12.622 535 H ASP 69 HN ASP 69 65.738 -5.582 10.431 536 HA ASP 69 HA ASP 69 66.755 -4.265 7.976 537 1HB ASP 69 HB2 ASP 69 64.258 -4.228 9.511 538 2HB ASP 69 HB1 ASP 69 64.807 -2.615 9.056 539 H THR 70 HN THR 70 67.884 -4.403 10.969 540 HA THR 70 HA THR 70 68.698 -1.529 10.950 541 HB THR 70 HB THR 70 67.239 -1.500 12.774 542 HG1 THR 70 HG1 THR 70 69.441 -2.548 14.154 543 1HG2 THR 70 HG21 THR 70 67.126 -3.436 14.400 544 2HG2 THR 70 HG22 THR 70 68.160 -4.336 13.291 545 3HG2 THR 70 HG23 THR 70 66.559 -3.807 12.771 546 H ARG 71 HN ARG 71 70.577 -2.559 9.801 547 HA ARG 71 HA ARG 71 72.831 -3.212 9.862 548 1HB ARG 71 HB2 ARG 71 72.375 -1.932 12.296 549 2HB ARG 71 HB1 ARG 71 73.093 -3.476 12.758 550 1HG ARG 71 HG2 ARG 71 74.355 -2.072 10.462 551 2HG ARG 71 HG1 ARG 71 74.579 -1.337 12.050 552 1HD ARG 71 HD2 ARG 71 76.119 -2.889 12.573 553 2HD ARG 71 HD1 ARG 71 74.938 -4.170 12.300 554 HE ARG 71 HE ARG 71 76.238 -4.652 10.401 555 1HH1 ARG 71 HH21 ARG 71 77.127 -1.551 11.328 556 2HH1 ARG 71 HH22 ARG 71 77.505 -0.992 9.733 557 1HH2 ARG 71 HH11 ARG 71 76.251 -3.815 8.158 558 2HH2 ARG 71 HH12 ARG 71 77.010 -2.273 7.938 559 H ILE 72 HN ILE 72 73.816 -5.227 9.775 560 HA ILE 72 HA ILE 72 72.303 -7.462 11.061 561 HB ILE 72 HB ILE 72 74.200 -7.671 8.711 562 1HG1 ILE 72 HG12 ILE 72 71.180 -7.548 8.560 563 2HG1 ILE 72 HG11 ILE 72 72.189 -6.117 8.348 564 1HG2 ILE 72 HG21 ILE 72 72.063 -9.575 8.758 565 2HG2 ILE 72 HG22 ILE 72 72.812 -9.547 10.355 566 3HG2 ILE 72 HG23 ILE 72 73.793 -9.873 8.926 567 1HD1 ILE 72 HD11 ILE 72 71.727 -8.370 6.514 568 2HD1 ILE 72 HD12 ILE 72 73.428 -7.944 6.702 569 3HD1 ILE 72 HD13 ILE 72 72.269 -6.728 6.165 570 H LYS 73 HN LYS 73 73.661 -6.864 13.023 571 HA LYS 73 HA LYS 73 76.502 -7.679 12.811 572 1HB LYS 73 HB2 LYS 73 76.014 -5.663 14.113 573 2HB LYS 73 HB1 LYS 73 74.901 -6.570 15.137 574 1HG LYS 73 HG2 LYS 73 77.162 -8.104 15.315 575 2HG LYS 73 HG1 LYS 73 77.850 -6.486 15.181 576 1HD LYS 73 HD2 LYS 73 76.205 -5.776 16.997 577 2HD LYS 73 HD1 LYS 73 75.880 -7.492 17.243 578 1HE LYS 73 HE2 LYS 73 77.744 -7.694 18.483 579 2HE LYS 73 HE1 LYS 73 78.721 -7.096 17.142 580 1HZ LYS 73 HZ1 LYS 73 78.763 -5.766 19.281 581 2HZ LYS 73 HZ2 LYS 73 77.185 -5.271 18.890 582 3HZ LYS 73 HZ3 LYS 73 78.477 -4.900 17.851 583 H THR 74 HN THR 74 75.812 -9.955 12.333 584 HA THR 74 HA THR 74 75.033 -11.393 14.840 585 HB THR 74 HB THR 74 74.737 -13.069 12.543 586 HG1 THR 74 HG1 THR 74 74.035 -11.738 11.107 587 1HG2 THR 74 HG21 THR 74 73.497 -12.799 14.872 588 2HG2 THR 74 HG22 THR 74 72.655 -13.466 13.473 589 3HG2 THR 74 HG23 THR 74 72.418 -11.777 13.922 590 H ARG 75 HN ARG 75 76.241 -13.272 15.374 591 HA ARG 75 HA ARG 75 78.752 -13.636 13.785 592 1HB ARG 75 HB2 ARG 75 79.722 -14.356 16.074 593 2HB ARG 75 HB1 ARG 75 79.473 -12.631 15.804 594 1HG ARG 75 HG2 ARG 75 77.808 -12.498 17.352 595 2HG ARG 75 HG1 ARG 75 77.132 -14.063 16.900 596 1HD ARG 75 HD2 ARG 75 78.033 -14.204 19.164 597 2HD ARG 75 HD1 ARG 75 79.026 -15.180 18.082 598 HE ARG 75 HE ARG 75 80.017 -12.452 18.396 599 1HH1 ARG 75 HH11 ARG 75 79.677 -15.386 20.131 600 2HH1 ARG 75 HH12 ARG 75 81.296 -15.376 20.747 601 1HH2 ARG 75 HH21 ARG 75 82.235 -12.544 18.981 602 2HH2 ARG 75 HH22 ARG 75 82.743 -13.767 20.097 603 H LYS 76 HN LYS 76 77.744 -15.403 12.640 604 HA LYS 76 HA LYS 76 77.666 -17.896 14.259 605 1HB LYS 76 HB2 LYS 76 75.318 -16.916 13.869 606 2HB LYS 76 HB1 LYS 76 75.559 -17.326 12.170 607 1HG LYS 76 HG2 LYS 76 76.258 -19.676 13.163 608 2HG LYS 76 HG1 LYS 76 75.286 -19.144 14.535 609 1HD LYS 76 HD2 LYS 76 73.943 -18.587 12.017 610 2HD LYS 76 HD1 LYS 76 74.327 -20.302 12.174 611 1HE LYS 76 HE2 LYS 76 72.597 -20.535 13.590 612 2HE LYS 76 HE1 LYS 76 73.395 -19.432 14.711 613 1HZ LYS 76 HZ1 LYS 76 71.311 -18.490 14.227 614 2HZ LYS 76 HZ2 LYS 76 71.473 -18.765 12.558 615 3HZ LYS 76 HZ3 LYS 76 72.432 -17.591 13.325 616 H ASN 77 HN ASN 77 77.456 -16.548 10.950 617 HA ASN 77 HA ASN 77 79.717 -18.021 10.006 618 1HB ASN 77 HB2 ASN 77 78.052 -19.905 10.353 619 2HB ASN 77 HB1 ASN 77 77.069 -19.169 9.087 620 1HD2 ASN 77 HD21 ASN 77 77.779 -21.574 8.273 621 2HD2 ASN 77 HD22 ASN 77 79.135 -21.575 7.252 Start of MODEL 28 1 1H MET 1 HT1 MET 1 53.480 -17.843 -10.215 2 2H MET 1 HT2 MET 1 53.027 -19.232 -11.083 3 3H MET 1 HT3 MET 1 53.739 -19.380 -9.548 4 HA MET 1 HA MET 1 51.153 -19.577 -9.885 5 1HB MET 1 HB2 MET 1 51.011 -18.470 -7.511 6 2HB MET 1 HB1 MET 1 51.963 -19.938 -7.721 7 1HG MET 1 HG2 MET 1 53.800 -18.851 -7.016 8 2HG MET 1 HG1 MET 1 53.640 -17.704 -8.344 9 1HE MET 1 HE1 MET 1 53.238 -17.001 -4.009 10 2HE MET 1 HE2 MET 1 54.175 -18.133 -4.980 11 3HE MET 1 HE3 MET 1 52.497 -18.500 -4.587 12 H ASP 2 HN ASP 2 52.445 -16.383 -8.873 13 HA ASP 2 HA ASP 2 50.331 -15.118 -10.545 14 1HB ASP 2 HB2 ASP 2 50.910 -14.378 -7.659 15 2HB ASP 2 HB1 ASP 2 49.737 -13.594 -8.718 16 H ARG 3 HN ARG 3 53.030 -14.308 -8.325 17 HA ARG 3 HA ARG 3 53.730 -11.842 -9.484 18 1HB ARG 3 HB2 ARG 3 55.635 -13.910 -8.343 19 2HB ARG 3 HB1 ARG 3 55.953 -12.184 -8.513 20 1HG ARG 3 HG2 ARG 3 53.469 -12.493 -7.131 21 2HG ARG 3 HG1 ARG 3 54.665 -13.527 -6.348 22 1HD ARG 3 HD2 ARG 3 55.407 -11.667 -5.305 23 2HD ARG 3 HD1 ARG 3 56.062 -11.174 -6.867 24 HE ARG 3 HE ARG 3 53.686 -10.127 -7.189 25 1HH1 ARG 3 HH11 ARG 3 55.585 -8.337 -5.794 26 2HH1 ARG 3 HH12 ARG 3 54.739 -7.939 -4.336 27 1HH2 ARG 3 HH21 ARG 3 52.482 -10.558 -4.619 28 2HH2 ARG 3 HH22 ARG 3 52.982 -9.197 -3.671 29 H PHE 4 HN PHE 4 56.165 -11.766 -10.562 30 HA PHE 4 HA PHE 4 55.793 -13.164 -13.144 31 1HB PHE 4 HB2 PHE 4 57.093 -10.697 -12.236 32 2HB PHE 4 HB1 PHE 4 58.083 -11.621 -13.366 33 HD1 PHE 4 HD1 PHE 4 57.408 -11.943 -15.666 34 HD2 PHE 4 HD2 PHE 4 54.840 -9.906 -12.889 35 HE1 PHE 4 HE1 PHE 4 55.992 -11.163 -17.547 36 HE2 PHE 4 HE2 PHE 4 53.424 -9.127 -14.770 37 HZ PHE 4 HZ PHE 4 54.000 -9.755 -17.099 38 H HIS 5 HN HIS 5 57.674 -14.259 -14.143 39 HA HIS 5 HA HIS 5 59.449 -15.480 -12.066 40 1HB HIS 5 HB2 HIS 5 58.457 -16.695 -14.663 41 2HB HIS 5 HB1 HIS 5 59.509 -17.489 -13.490 42 HD1 HIS 5 HD1 HIS 5 56.010 -17.051 -14.323 43 HD2 HIS 5 HD2 HIS 5 58.154 -17.685 -10.805 44 HE1 HIS 5 HE1 HIS 5 54.337 -17.853 -12.599 45 H ALA 6 HN ALA 6 59.401 -13.405 -14.688 46 HA ALA 6 HA ALA 6 62.251 -14.046 -15.340 47 1HB ALA 6 HB1 ALA 6 61.901 -13.289 -17.561 48 2HB ALA 6 HB2 ALA 6 60.379 -12.504 -17.140 49 3HB ALA 6 HB3 ALA 6 60.476 -14.264 -17.199 50 H THR 7 HN THR 7 62.231 -12.601 -13.190 51 HA THR 7 HA THR 7 62.282 -9.728 -14.011 52 HB THR 7 HB THR 7 62.349 -10.719 -11.162 53 HG1 THR 7 HG1 THR 7 60.010 -10.027 -12.586 54 1HG2 THR 7 HG21 THR 7 62.417 -8.509 -10.770 55 2HG2 THR 7 HG22 THR 7 60.843 -8.346 -11.551 56 3HG2 THR 7 HG23 THR 7 62.320 -8.177 -12.500 57 H SER 8 HN SER 8 64.335 -9.161 -14.573 58 HA SER 8 HA SER 8 66.678 -10.572 -13.696 59 1HB SER 8 HB2 SER 8 66.072 -8.237 -15.357 60 2HB SER 8 HB1 SER 8 67.570 -8.060 -14.449 61 HG SER 8 HG SER 8 66.918 -9.767 -16.513 62 H ALA 9 HN ALA 9 65.102 -7.594 -12.599 63 HA ALA 9 HA ALA 9 67.066 -6.705 -10.772 64 1HB ALA 9 HB1 ALA 9 64.536 -6.270 -9.563 65 2HB ALA 9 HB2 ALA 9 64.288 -6.162 -11.306 66 3HB ALA 9 HB3 ALA 9 65.480 -5.127 -10.519 67 H ASP 10 HN ASP 10 68.007 -7.991 -9.254 68 HA ASP 10 HA ASP 10 66.200 -9.702 -7.592 69 1HB ASP 10 HB2 ASP 10 68.222 -10.601 -9.304 70 2HB ASP 10 HB1 ASP 10 68.952 -10.651 -7.699 71 H CYS 11 HN CYS 11 69.669 -8.856 -7.423 72 HA CYS 11 HA CYS 11 69.214 -8.019 -4.604 73 1HB CYS 11 HB2 CYS 11 71.683 -8.803 -6.164 74 2HB CYS 11 HB1 CYS 11 71.780 -8.054 -4.570 75 H CYS 12 HN CYS 12 70.954 -6.173 -4.014 76 HA CYS 12 HA CYS 12 70.459 -3.981 -5.983 77 1HB CYS 12 HB2 CYS 12 70.755 -4.029 -2.984 78 2HB CYS 12 HB1 CYS 12 71.021 -2.539 -3.890 79 H ILE 13 HN ILE 13 72.208 -3.017 -6.926 80 HA ILE 13 HA ILE 13 74.904 -3.721 -5.835 81 HB ILE 13 HB ILE 13 74.083 -3.139 -8.698 82 1HG1 ILE 13 HG12 ILE 13 75.284 -5.704 -7.690 83 2HG1 ILE 13 HG11 ILE 13 73.555 -5.419 -7.489 84 1HG2 ILE 13 HG21 ILE 13 76.338 -2.314 -8.239 85 2HG2 ILE 13 HG22 ILE 13 76.438 -3.785 -9.206 86 3HG2 ILE 13 HG23 ILE 13 76.769 -3.844 -7.475 87 1HD1 ILE 13 HD11 ILE 13 73.135 -5.515 -9.747 88 2HD1 ILE 13 HD12 ILE 13 74.566 -6.545 -9.709 89 3HD1 ILE 13 HD13 ILE 13 74.711 -4.850 -10.174 90 H SER 14 HN SER 14 72.734 -1.191 -6.759 91 HA SER 14 HA SER 14 74.781 0.800 -5.929 92 1HB SER 14 HB2 SER 14 73.073 1.739 -8.126 93 2HB SER 14 HB1 SER 14 74.811 1.920 -7.899 94 HG SER 14 HG SER 14 74.679 0.550 -9.566 95 H TYR 15 HN TYR 15 73.851 2.691 -4.984 96 HA TYR 15 HA TYR 15 70.926 2.436 -4.403 97 1HB TYR 15 HB2 TYR 15 72.908 3.893 -2.653 98 2HB TYR 15 HB1 TYR 15 71.307 3.287 -2.226 99 HD1 TYR 15 HD1 TYR 15 74.699 2.671 -1.818 100 HD2 TYR 15 HD2 TYR 15 71.052 0.628 -2.802 101 HE1 TYR 15 HE1 TYR 15 75.704 0.525 -1.084 102 HE2 TYR 15 HE2 TYR 15 72.056 -1.519 -2.069 103 HH TYR 15 HH TYR 15 75.430 -1.671 -0.925 104 H THR 16 HN THR 16 69.869 4.594 -3.946 105 HA THR 16 HA THR 16 70.547 6.467 -6.072 106 HB THR 16 HB THR 16 68.198 6.013 -5.419 107 HG1 THR 16 HG1 THR 16 67.827 8.433 -4.882 108 1HG2 THR 16 HG21 THR 16 67.445 6.203 -3.290 109 2HG2 THR 16 HG22 THR 16 68.326 7.706 -3.018 110 3HG2 THR 16 HG23 THR 16 69.151 6.157 -2.845 111 HA PRO 17 HA PRO 17 73.279 8.663 -3.258 112 1HB PRO 17 HB2 PRO 17 74.405 10.224 -5.221 113 2HB PRO 17 HB1 PRO 17 74.911 8.560 -4.881 114 1HG PRO 17 HG2 PRO 17 73.278 9.600 -7.151 115 2HG PRO 17 HG1 PRO 17 74.318 8.168 -7.080 116 1HD PRO 17 HD2 PRO 17 71.496 8.171 -6.899 117 2HD PRO 17 HD1 PRO 17 72.565 6.814 -6.487 118 H ARG 18 HN ARG 18 71.014 9.602 -2.607 119 HA ARG 18 HA ARG 18 71.139 12.510 -3.004 120 1HB ARG 18 HB2 ARG 18 68.994 10.786 -4.181 121 2HB ARG 18 HB1 ARG 18 68.529 12.347 -3.503 122 1HG ARG 18 HG2 ARG 18 70.344 13.403 -4.902 123 2HG ARG 18 HG1 ARG 18 70.569 11.839 -5.685 124 1HD ARG 18 HD2 ARG 18 68.366 11.860 -6.592 125 2HD ARG 18 HD1 ARG 18 67.871 13.195 -5.551 126 HE ARG 18 HE ARG 18 70.074 13.942 -7.284 127 1HH1 ARG 18 HH21 ARG 18 66.954 12.800 -7.875 128 2HH1 ARG 18 HH22 ARG 18 66.441 14.179 -8.788 129 1HH2 ARG 18 HH11 ARG 18 69.303 16.019 -8.117 130 2HH2 ARG 18 HH12 ARG 18 67.771 16.003 -8.925 131 H SER 19 HN SER 19 69.718 13.634 -1.457 132 HA SER 19 HA SER 19 69.367 12.027 0.998 133 1HB SER 19 HB2 SER 19 70.431 14.383 0.881 134 2HB SER 19 HB1 SER 19 68.782 14.974 0.706 135 HG SER 19 HG SER 19 68.488 13.448 2.652 136 H ILE 20 HN ILE 20 67.492 10.793 0.450 137 HA ILE 20 HA ILE 20 65.028 12.316 -0.187 138 HB ILE 20 HB ILE 20 65.538 9.329 -0.054 139 1HG1 ILE 20 HG12 ILE 20 64.890 10.053 -2.654 140 2HG1 ILE 20 HG11 ILE 20 65.923 11.378 -2.115 141 1HG2 ILE 20 HG21 ILE 20 63.121 10.980 -0.810 142 2HG2 ILE 20 HG22 ILE 20 63.220 9.680 0.378 143 3HG2 ILE 20 HG23 ILE 20 63.325 9.312 -1.344 144 1HD1 ILE 20 HD11 ILE 20 66.927 8.752 -1.294 145 2HD1 ILE 20 HD12 ILE 20 67.770 10.072 -2.105 146 3HD1 ILE 20 HD13 ILE 20 66.816 8.925 -3.046 147 HA PRO 21 HA PRO 21 63.936 12.038 4.115 148 1HB PRO 21 HB2 PRO 21 61.464 13.212 3.849 149 2HB PRO 21 HB1 PRO 21 62.983 14.125 3.873 150 1HG PRO 21 HG2 PRO 21 61.208 13.495 1.562 151 2HG PRO 21 HG1 PRO 21 62.331 14.847 1.778 152 1HD PRO 21 HD2 PRO 21 62.804 12.524 0.224 153 2HD PRO 21 HD1 PRO 21 64.019 13.728 0.705 154 H CYS 22 HN CYS 22 62.558 10.692 5.389 155 HA CYS 22 HA CYS 22 61.509 8.350 4.133 156 1HB CYS 22 HB2 CYS 22 60.684 9.363 6.857 157 2HB CYS 22 HB1 CYS 22 60.830 7.695 6.311 158 H SER 23 HN SER 23 60.181 11.489 4.604 159 HA SER 23 HA SER 23 57.386 10.706 4.628 160 1HB SER 23 HB2 SER 23 58.818 13.090 4.995 161 2HB SER 23 HB1 SER 23 57.870 13.355 3.535 162 HG SER 23 HG SER 23 56.759 12.213 5.872 163 H LEU 24 HN LEU 24 59.744 10.598 2.238 164 HA LEU 24 HA LEU 24 57.730 10.969 0.063 165 1HB LEU 24 HB2 LEU 24 60.545 11.623 0.320 166 2HB LEU 24 HB1 LEU 24 60.271 10.584 -1.080 167 HG LEU 24 HG LEU 24 58.606 12.095 -1.962 168 1HD1 LEU 24 HD11 LEU 24 57.412 12.897 -0.108 169 2HD1 LEU 24 HD12 LEU 24 58.314 14.323 -0.623 170 3HD1 LEU 24 HD13 LEU 24 58.878 13.371 0.750 171 1HD2 LEU 24 HD21 LEU 24 59.975 14.038 -2.409 172 2HD2 LEU 24 HD22 LEU 24 61.053 12.648 -2.281 173 3HD2 LEU 24 HD23 LEU 24 60.909 13.779 -0.936 174 H LEU 25 HN LEU 25 58.045 8.573 1.838 175 HA LEU 25 HA LEU 25 58.316 6.587 -0.358 176 1HB LEU 25 HB2 LEU 25 59.835 6.601 2.248 177 2HB LEU 25 HB1 LEU 25 59.496 5.089 1.405 178 HG LEU 25 HG LEU 25 60.776 7.450 0.019 179 1HD1 LEU 25 HD11 LEU 25 61.981 5.306 1.741 180 2HD1 LEU 25 HD12 LEU 25 62.420 7.009 1.610 181 3HD1 LEU 25 HD13 LEU 25 62.875 5.881 0.333 182 1HD2 LEU 25 HD21 LEU 25 59.857 5.836 -1.503 183 2HD2 LEU 25 HD22 LEU 25 60.491 4.490 -0.557 184 3HD2 LEU 25 HD23 LEU 25 61.594 5.536 -1.451 185 H GLU 26 HN GLU 26 57.002 4.729 -0.040 186 HA GLU 26 HA GLU 26 54.910 5.094 2.040 187 1HB GLU 26 HB2 GLU 26 54.941 4.122 -0.683 188 2HB GLU 26 HB1 GLU 26 54.267 2.895 0.390 189 1HG GLU 26 HG2 GLU 26 53.121 5.247 1.316 190 2HG GLU 26 HG1 GLU 26 53.133 5.462 -0.435 191 H SER 27 HN SER 27 57.181 2.647 0.799 192 HA SER 27 HA SER 27 57.307 1.442 3.477 193 1HB SER 27 HB2 SER 27 56.022 0.080 1.126 194 2HB SER 27 HB1 SER 27 56.893 -0.877 2.320 195 HG SER 27 HG SER 27 54.482 0.425 2.496 196 H TYR 28 HN TYR 28 58.850 -0.617 3.246 197 HA TYR 28 HA TYR 28 60.807 -0.318 1.063 198 1HB TYR 28 HB2 TYR 28 62.688 0.167 2.486 199 2HB TYR 28 HB1 TYR 28 61.442 1.361 2.853 200 HD1 TYR 28 HD1 TYR 28 63.303 -1.546 4.084 201 HD2 TYR 28 HD2 TYR 28 60.104 1.196 4.925 202 HE1 TYR 28 HE1 TYR 28 63.303 -2.272 6.455 203 HE2 TYR 28 HE2 TYR 28 60.105 0.469 7.296 204 HH TYR 28 HH TYR 28 60.831 -1.689 8.555 205 H PHE 29 HN PHE 29 62.400 -2.094 1.099 206 HA PHE 29 HA PHE 29 61.854 -4.306 2.980 207 1HB PHE 29 HB2 PHE 29 61.798 -5.808 0.780 208 2HB PHE 29 HB1 PHE 29 60.322 -5.092 1.429 209 HD1 PHE 29 HD1 PHE 29 62.497 -5.304 -1.411 210 HD2 PHE 29 HD2 PHE 29 59.644 -2.758 0.545 211 HE1 PHE 29 HE1 PHE 29 62.177 -4.041 -3.522 212 HE2 PHE 29 HE2 PHE 29 59.324 -1.495 -1.565 213 HZ PHE 29 HZ PHE 29 60.591 -2.136 -3.598 214 H GLU 30 HN GLU 30 63.456 -6.142 2.545 215 HA GLU 30 HA GLU 30 66.046 -4.937 1.674 216 1HB GLU 30 HB2 GLU 30 65.413 -7.201 3.586 217 2HB GLU 30 HB1 GLU 30 67.049 -6.811 3.052 218 1HG GLU 30 HG2 GLU 30 65.941 -4.354 3.833 219 2HG GLU 30 HG1 GLU 30 65.424 -5.501 5.070 220 H THR 31 HN THR 31 67.576 -6.493 0.608 221 HA THR 31 HA THR 31 66.069 -8.191 -1.308 222 HB THR 31 HB THR 31 68.288 -8.228 -2.528 223 HG1 THR 31 HG1 THR 31 69.734 -6.540 -1.768 224 1HG2 THR 31 HG21 THR 31 67.955 -6.091 -3.482 225 2HG2 THR 31 HG22 THR 31 67.401 -5.403 -1.956 226 3HG2 THR 31 HG23 THR 31 66.371 -6.527 -2.842 227 H ASN 32 HN ASN 32 67.130 -10.315 -1.901 228 HA ASN 32 HA ASN 32 67.345 -12.042 0.298 229 1HB ASN 32 HB2 ASN 32 68.036 -12.181 -2.574 230 2HB ASN 32 HB1 ASN 32 68.907 -13.319 -1.545 231 1HD2 ASN 32 HD21 ASN 32 65.777 -12.548 -2.911 232 2HD2 ASN 32 HD22 ASN 32 64.947 -13.878 -2.260 233 H SER 33 HN SER 33 68.830 -11.992 1.907 234 HA SER 33 HA SER 33 71.288 -10.558 1.801 235 1HB SER 33 HB2 SER 33 71.632 -11.313 3.966 236 2HB SER 33 HB1 SER 33 69.896 -11.570 3.825 237 HG SER 33 HG SER 33 70.221 -13.698 3.565 238 H GLU 34 HN GLU 34 70.431 -13.611 0.506 239 HA GLU 34 HA GLU 34 72.788 -15.116 0.667 240 1HB GLU 34 HB2 GLU 34 70.631 -14.848 -1.390 241 2HB GLU 34 HB1 GLU 34 72.085 -15.751 -1.819 242 1HG GLU 34 HG2 GLU 34 71.683 -16.887 0.540 243 2HG GLU 34 HG1 GLU 34 70.022 -16.361 0.265 244 H CYS 35 HN CYS 35 72.201 -12.158 -1.073 245 HA CYS 35 HA CYS 35 74.480 -12.431 -2.867 246 1HB CYS 35 HB2 CYS 35 72.554 -10.251 -2.151 247 2HB CYS 35 HB1 CYS 35 74.063 -9.812 -2.952 248 H SER 36 HN SER 36 76.557 -11.618 -2.568 249 HA SER 36 HA SER 36 77.653 -11.453 0.013 250 1HB SER 36 HB2 SER 36 79.586 -10.313 -1.080 251 2HB SER 36 HB1 SER 36 79.055 -11.740 -1.966 252 HG SER 36 HG SER 36 78.449 -10.506 -3.566 253 H LYS 37 HN LYS 37 76.705 -8.743 -2.127 254 HA LYS 37 HA LYS 37 76.701 -6.998 0.303 255 1HB LYS 37 HB2 LYS 37 77.207 -6.381 -2.614 256 2HB LYS 37 HB1 LYS 37 76.847 -5.119 -1.434 257 1HG LYS 37 HG2 LYS 37 78.758 -5.957 -0.041 258 2HG LYS 37 HG1 LYS 37 79.162 -7.075 -1.345 259 1HD LYS 37 HD2 LYS 37 80.414 -5.408 -2.214 260 2HD LYS 37 HD1 LYS 37 78.892 -4.624 -2.639 261 1HE LYS 37 HE2 LYS 37 79.322 -4.093 0.109 262 2HE LYS 37 HE1 LYS 37 80.860 -3.798 -0.703 263 1HZ LYS 37 HZ1 LYS 37 78.430 -2.304 -0.826 264 2HZ LYS 37 HZ2 LYS 37 78.988 -2.724 -2.375 265 3HZ LYS 37 HZ3 LYS 37 79.994 -1.861 -1.312 266 HA PRO 38 HA PRO 38 72.307 -7.302 -0.817 267 1HB PRO 38 HB2 PRO 38 71.441 -7.083 1.783 268 2HB PRO 38 HB1 PRO 38 71.917 -8.618 1.036 269 1HG PRO 38 HG2 PRO 38 73.398 -6.960 3.023 270 2HG PRO 38 HG1 PRO 38 73.486 -8.704 2.730 271 1HD PRO 38 HD2 PRO 38 75.361 -6.779 1.842 272 2HD PRO 38 HD1 PRO 38 75.249 -8.462 1.284 273 H GLY 39 HN GLY 39 70.463 -5.744 0.370 274 1HA GLY 39 HA2 GLY 39 71.278 -3.181 1.253 275 2HA GLY 39 HA1 GLY 39 71.005 -3.126 -0.485 276 H VAL 40 HN VAL 40 69.333 -1.554 0.851 277 HA VAL 40 HA VAL 40 66.818 -3.143 1.170 278 HB VAL 40 HB VAL 40 67.365 -0.369 2.258 279 1HG1 VAL 40 HG11 VAL 40 65.361 -2.384 3.257 280 2HG1 VAL 40 HG12 VAL 40 64.978 -1.353 1.879 281 3HG1 VAL 40 HG13 VAL 40 65.352 -0.630 3.443 282 1HG2 VAL 40 HG21 VAL 40 68.902 -1.657 3.469 283 2HG2 VAL 40 HG22 VAL 40 67.899 -3.105 3.392 284 3HG2 VAL 40 HG23 VAL 40 67.456 -1.781 4.470 285 H ILE 41 HN ILE 41 64.943 -2.370 0.097 286 HA ILE 41 HA ILE 41 65.481 -0.271 -1.968 287 HB ILE 41 HB ILE 41 63.668 -2.699 -2.125 288 1HG1 ILE 41 HG12 ILE 41 65.993 -2.070 -3.931 289 2HG1 ILE 41 HG11 ILE 41 66.273 -2.857 -2.377 290 1HG2 ILE 41 HG21 ILE 41 62.536 -1.511 -3.671 291 2HG2 ILE 41 HG22 ILE 41 64.000 -1.531 -4.655 292 3HG2 ILE 41 HG23 ILE 41 63.687 -0.178 -3.568 293 1HD1 ILE 41 HD11 ILE 41 64.087 -3.978 -4.054 294 2HD1 ILE 41 HD12 ILE 41 65.255 -4.808 -3.025 295 3HD1 ILE 41 HD13 ILE 41 65.735 -4.244 -4.626 296 H PHE 42 HN PHE 42 64.428 1.560 -1.354 297 HA PHE 42 HA PHE 42 61.966 1.368 0.264 298 1HB PHE 42 HB2 PHE 42 63.710 3.665 -0.640 299 2HB PHE 42 HB1 PHE 42 62.157 3.928 0.154 300 HD1 PHE 42 HD1 PHE 42 61.885 3.591 2.506 301 HD2 PHE 42 HD2 PHE 42 65.515 2.384 0.551 302 HE1 PHE 42 HE1 PHE 42 62.948 3.212 4.714 303 HE2 PHE 42 HE2 PHE 42 66.578 2.005 2.760 304 HZ PHE 42 HZ PHE 42 65.295 2.419 4.841 305 H LEU 43 HN LEU 43 59.952 1.537 -0.607 306 HA LEU 43 HA LEU 43 59.742 2.121 -3.507 307 1HB LEU 43 HB2 LEU 43 58.635 0.092 -2.464 308 2HB LEU 43 HB1 LEU 43 57.556 1.203 -1.620 309 HG LEU 43 HG LEU 43 57.347 2.165 -4.151 310 1HD1 LEU 43 HD11 LEU 43 58.400 -0.580 -4.323 311 2HD1 LEU 43 HD12 LEU 43 58.343 0.682 -5.554 312 3HD1 LEU 43 HD13 LEU 43 56.924 -0.322 -5.254 313 1HD2 LEU 43 HD21 LEU 43 55.223 1.717 -3.546 314 2HD2 LEU 43 HD22 LEU 43 55.786 0.568 -2.333 315 3HD2 LEU 43 HD23 LEU 43 55.481 0.028 -3.984 316 H THR 44 HN THR 44 58.596 3.893 -4.293 317 HA THR 44 HA THR 44 57.832 5.923 -2.249 318 HB THR 44 HB THR 44 58.308 7.575 -3.835 319 HG1 THR 44 HG1 THR 44 57.728 7.349 -5.833 320 1HG2 THR 44 HG21 THR 44 60.506 7.171 -4.246 321 2HG2 THR 44 HG22 THR 44 60.164 5.692 -5.143 322 3HG2 THR 44 HG23 THR 44 60.210 5.664 -3.380 323 H LYS 45 HN LYS 45 55.952 7.404 -3.171 324 HA LYS 45 HA LYS 45 53.644 5.648 -3.497 325 1HB LYS 45 HB2 LYS 45 53.727 7.852 -2.176 326 2HB LYS 45 HB1 LYS 45 53.641 8.661 -3.742 327 1HG LYS 45 HG2 LYS 45 51.463 8.043 -4.095 328 2HG LYS 45 HG1 LYS 45 51.663 6.493 -3.277 329 1HD LYS 45 HD2 LYS 45 51.790 7.766 -1.094 330 2HD LYS 45 HD1 LYS 45 51.325 9.213 -1.989 331 1HE LYS 45 HE2 LYS 45 49.310 7.888 -2.824 332 2HE LYS 45 HE1 LYS 45 49.724 6.675 -1.613 333 1HZ LYS 45 HZ1 LYS 45 49.738 9.297 -0.510 334 2HZ LYS 45 HZ2 LYS 45 48.868 7.925 -0.013 335 3HZ LYS 45 HZ3 LYS 45 48.236 8.945 -1.216 336 H LYS 46 HN LYS 46 55.891 6.593 -5.671 337 HA LYS 46 HA LYS 46 53.901 6.957 -7.870 338 1HB LYS 46 HB2 LYS 46 56.225 8.400 -7.260 339 2HB LYS 46 HB1 LYS 46 56.678 7.380 -8.627 340 1HG LYS 46 HG2 LYS 46 54.640 8.166 -9.837 341 2HG LYS 46 HG1 LYS 46 54.305 9.262 -8.497 342 1HD LYS 46 HD2 LYS 46 55.500 10.428 -10.318 343 2HD LYS 46 HD1 LYS 46 56.477 10.371 -8.851 344 1HE LYS 46 HE2 LYS 46 58.030 8.983 -9.782 345 2HE LYS 46 HE1 LYS 46 56.818 8.070 -10.681 346 1HZ LYS 46 HZ1 LYS 46 56.950 9.449 -12.443 347 2HZ LYS 46 HZ2 LYS 46 58.507 9.746 -11.833 348 3HZ LYS 46 HZ3 LYS 46 57.241 10.829 -11.502 349 H GLY 47 HN GLY 47 54.662 4.378 -6.625 350 1HA GLY 47 HA2 GLY 47 55.253 2.218 -7.293 351 2HA GLY 47 HA1 GLY 47 54.886 2.777 -8.922 352 H ARG 48 HN ARG 48 57.371 4.231 -6.916 353 HA ARG 48 HA ARG 48 59.418 3.097 -8.785 354 1HB ARG 48 HB2 ARG 48 58.784 5.724 -8.603 355 2HB ARG 48 HB1 ARG 48 60.015 5.624 -7.343 356 1HG ARG 48 HG2 ARG 48 61.641 5.557 -8.895 357 2HG ARG 48 HG1 ARG 48 60.905 4.134 -9.632 358 1HD ARG 48 HD2 ARG 48 59.371 5.593 -10.911 359 2HD ARG 48 HD1 ARG 48 60.129 7.013 -10.188 360 HE ARG 48 HE ARG 48 61.962 6.719 -11.654 361 1HH1 ARG 48 HH11 ARG 48 60.009 5.508 -13.580 362 2HH1 ARG 48 HH12 ARG 48 60.776 4.007 -13.978 363 1HH2 ARG 48 HH21 ARG 48 62.945 4.093 -11.274 364 2HH2 ARG 48 HH22 ARG 48 62.438 3.206 -12.672 365 H ARG 49 HN ARG 49 60.996 1.914 -7.809 366 HA ARG 49 HA ARG 49 61.420 2.314 -4.875 367 1HB ARG 49 HB2 ARG 49 61.775 -0.117 -4.668 368 2HB ARG 49 HB1 ARG 49 60.161 0.227 -5.292 369 1HG ARG 49 HG2 ARG 49 61.546 0.080 -7.621 370 2HG ARG 49 HG1 ARG 49 62.474 -1.053 -6.637 371 1HD ARG 49 HD2 ARG 49 60.528 -2.378 -6.172 372 2HD ARG 49 HD1 ARG 49 59.457 -1.153 -6.852 373 HE ARG 49 HE ARG 49 60.756 -3.206 -8.355 374 1HH1 ARG 49 HH21 ARG 49 58.810 -0.552 -8.677 375 2HH1 ARG 49 HH22 ARG 49 59.344 -0.102 -10.262 376 1HH2 ARG 49 HH11 ARG 49 62.006 -2.324 -10.284 377 2HH2 ARG 49 HH12 ARG 49 61.153 -1.106 -11.172 378 H PHE 50 HN PHE 50 63.549 2.522 -4.280 379 HA PHE 50 HA PHE 50 65.622 1.818 -6.315 380 1HB PHE 50 HB2 PHE 50 66.854 3.889 -5.301 381 2HB PHE 50 HB1 PHE 50 65.586 4.157 -6.498 382 HD1 PHE 50 HD1 PHE 50 63.647 5.401 -5.959 383 HD2 PHE 50 HD2 PHE 50 66.229 4.001 -2.824 384 HE1 PHE 50 HE1 PHE 50 62.372 6.743 -4.309 385 HE2 PHE 50 HE2 PHE 50 64.953 5.343 -1.175 386 HZ PHE 50 HZ PHE 50 63.025 6.715 -1.917 387 H CYS 51 HN CYS 51 67.722 1.301 -5.374 388 HA CYS 51 HA CYS 51 67.477 -0.091 -2.830 389 1HB CYS 51 HB2 CYS 51 69.869 0.391 -4.632 390 2HB CYS 51 HB1 CYS 51 69.836 -0.709 -3.259 391 H ALA 52 HN ALA 52 68.692 0.399 -0.920 392 HA ALA 52 HA ALA 52 70.046 3.043 -0.837 393 1HB ALA 52 HB1 ALA 52 68.689 3.942 0.818 394 2HB ALA 52 HB2 ALA 52 68.164 2.360 1.392 395 3HB ALA 52 HB3 ALA 52 67.495 3.023 -0.098 396 H ASN 53 HN ASN 53 71.444 3.253 1.074 397 HA ASN 53 HA ASN 53 72.580 0.660 1.844 398 1HB ASN 53 HB2 ASN 53 73.910 2.790 1.284 399 2HB ASN 53 HB1 ASN 53 73.436 3.365 2.883 400 1HD2 ASN 53 HD21 ASN 53 75.728 1.436 1.207 401 2HD2 ASN 53 HD22 ASN 53 76.436 0.696 2.560 402 HA PRO 54 HA PRO 54 70.279 0.512 5.624 403 1HB PRO 54 HB2 PRO 54 71.655 -1.592 6.741 404 2HB PRO 54 HB1 PRO 54 70.428 -1.783 5.476 405 1HG PRO 54 HG2 PRO 54 73.398 -1.969 5.255 406 2HG PRO 54 HG1 PRO 54 72.148 -2.744 4.267 407 1HD PRO 54 HD2 PRO 54 73.649 -0.467 3.533 408 2HD PRO 54 HD1 PRO 54 72.167 -1.036 2.736 409 H SER 55 HN SER 55 73.354 1.668 5.254 410 HA SER 55 HA SER 55 73.826 1.945 8.188 411 1HB SER 55 HB2 SER 55 75.746 2.615 5.945 412 2HB SER 55 HB1 SER 55 76.117 2.441 7.658 413 HG SER 55 HG SER 55 75.062 0.211 7.158 414 H ASP 56 HN ASP 56 72.446 3.582 5.628 415 HA ASP 56 HA ASP 56 73.439 6.256 6.154 416 1HB ASP 56 HB2 ASP 56 72.442 5.736 3.993 417 2HB ASP 56 HB1 ASP 56 70.924 5.281 4.767 418 H LYS 57 HN LYS 57 72.967 7.413 7.951 419 HA LYS 57 HA LYS 57 71.254 6.643 10.022 420 1HB LYS 57 HB2 LYS 57 71.691 9.542 9.288 421 2HB LYS 57 HB1 LYS 57 71.494 8.843 10.895 422 1HG LYS 57 HG2 LYS 57 73.647 7.445 10.105 423 2HG LYS 57 HG1 LYS 57 73.896 8.897 9.134 424 1HD LYS 57 HD2 LYS 57 73.508 10.228 11.285 425 2HD LYS 57 HD1 LYS 57 73.662 8.693 12.141 426 1HE LYS 57 HE2 LYS 57 75.750 9.758 10.222 427 2HE LYS 57 HE1 LYS 57 75.817 9.993 11.969 428 1HZ LYS 57 HZ1 LYS 57 75.501 7.438 12.010 429 2HZ LYS 57 HZ2 LYS 57 77.039 8.087 11.695 430 3HZ LYS 57 HZ3 LYS 57 76.080 7.509 10.418 431 H GLN 58 HN GLN 58 70.504 8.794 7.271 432 HA GLN 58 HA GLN 58 67.845 9.433 7.989 433 1HB GLN 58 HB2 GLN 58 69.387 9.311 5.445 434 2HB GLN 58 HB1 GLN 58 67.628 9.327 5.302 435 1HG GLN 58 HG2 GLN 58 69.315 11.349 6.806 436 2HG GLN 58 HG1 GLN 58 68.477 11.624 5.278 437 1HE2 GLN 58 HE21 GLN 58 68.113 12.669 8.237 438 2HE2 GLN 58 HE22 GLN 58 66.438 12.528 8.473 439 H VAL 59 HN VAL 59 69.202 6.493 6.653 440 HA VAL 59 HA VAL 59 66.681 5.334 5.832 441 HB VAL 59 HB VAL 59 69.400 4.155 6.443 442 1HG1 VAL 59 HG11 VAL 59 67.847 2.313 4.972 443 2HG1 VAL 59 HG12 VAL 59 66.833 2.827 6.320 444 3HG1 VAL 59 HG13 VAL 59 68.425 2.133 6.628 445 1HG2 VAL 59 HG21 VAL 59 69.097 5.536 4.379 446 2HG2 VAL 59 HG22 VAL 59 67.820 4.433 3.867 447 3HG2 VAL 59 HG23 VAL 59 69.477 3.852 4.021 448 H GLN 60 HN GLN 60 68.730 4.914 8.739 449 HA GLN 60 HA GLN 60 67.030 3.075 10.076 450 1HB GLN 60 HB2 GLN 60 68.159 3.776 12.131 451 2HB GLN 60 HB1 GLN 60 69.337 3.657 10.824 452 1HG GLN 60 HG2 GLN 60 69.715 5.908 10.781 453 2HG GLN 60 HG1 GLN 60 68.032 6.300 11.127 454 1HE2 GLN 60 HE21 GLN 60 67.850 7.321 13.119 455 2HE2 GLN 60 HE22 GLN 60 68.779 6.958 14.493 456 H VAL 61 HN VAL 61 66.734 6.507 9.556 457 HA VAL 61 HA VAL 61 64.805 6.975 11.673 458 HB VAL 61 HB VAL 61 65.275 8.548 9.120 459 1HG1 VAL 61 HG11 VAL 61 63.160 8.819 10.731 460 2HG1 VAL 61 HG12 VAL 61 63.966 10.221 10.027 461 3HG1 VAL 61 HG13 VAL 61 64.319 9.743 11.687 462 1HG2 VAL 61 HG21 VAL 61 67.155 9.382 10.058 463 2HG2 VAL 61 HG22 VAL 61 67.044 8.079 11.241 464 3HG2 VAL 61 HG23 VAL 61 66.339 9.656 11.597 465 H CYS 62 HN CYS 62 64.532 6.480 8.139 466 HA CYS 62 HA CYS 62 61.706 6.606 7.988 467 1HB CYS 62 HB2 CYS 62 63.428 4.755 6.328 468 2HB CYS 62 HB1 CYS 62 61.928 5.550 5.863 469 H MET 63 HN MET 63 63.871 3.912 8.800 470 HA MET 63 HA MET 63 61.945 1.826 8.791 471 1HB MET 63 HB2 MET 63 64.568 2.297 10.129 472 2HB MET 63 HB1 MET 63 63.546 1.023 10.798 473 1HG MET 63 HG2 MET 63 63.479 -0.150 8.720 474 2HG MET 63 HG1 MET 63 64.159 1.221 7.843 475 1HE MET 63 HE1 MET 63 65.348 -0.489 6.799 476 2HE MET 63 HE2 MET 63 66.853 -1.237 7.329 477 3HE MET 63 HE3 MET 63 66.821 0.480 6.940 478 H ARG 64 HN ARG 64 62.375 4.501 10.942 479 HA ARG 64 HA ARG 64 60.902 3.294 13.165 480 1HB ARG 64 HB2 ARG 64 62.651 5.357 13.040 481 2HB ARG 64 HB1 ARG 64 61.132 6.250 12.964 482 1HG ARG 64 HG2 ARG 64 60.885 4.202 14.954 483 2HG ARG 64 HG1 ARG 64 62.369 5.106 15.259 484 1HD ARG 64 HD2 ARG 64 61.061 7.228 15.078 485 2HD ARG 64 HD1 ARG 64 59.590 6.268 14.917 486 HE ARG 64 HE ARG 64 60.629 5.299 17.247 487 1HH1 ARG 64 HH11 ARG 64 62.190 7.731 17.729 488 2HH1 ARG 64 HH12 ARG 64 61.064 8.779 18.525 489 1HH2 ARG 64 HH21 ARG 64 58.276 6.968 17.537 490 2HH2 ARG 64 HH22 ARG 64 58.848 8.347 18.417 491 H MET 65 HN MET 65 60.191 6.164 11.133 492 HA MET 65 HA MET 65 57.434 6.283 11.787 493 1HB MET 65 HB2 MET 65 58.546 8.146 10.678 494 2HB MET 65 HB1 MET 65 58.866 7.150 9.257 495 1HG MET 65 HG2 MET 65 56.892 8.617 8.924 496 2HG MET 65 HG1 MET 65 56.456 6.909 8.857 497 1HE MET 65 HE1 MET 65 56.913 9.803 11.676 498 2HE MET 65 HE2 MET 65 55.185 10.141 11.717 499 3HE MET 65 HE3 MET 65 56.053 10.215 10.186 500 H LEU 66 HN LEU 66 59.013 4.774 8.950 501 HA LEU 66 HA LEU 66 56.519 3.601 8.020 502 1HB LEU 66 HB2 LEU 66 59.381 2.905 7.289 503 2HB LEU 66 HB1 LEU 66 57.938 2.422 6.397 504 HG LEU 66 HG LEU 66 58.977 5.238 6.808 505 1HD1 LEU 66 HD11 LEU 66 58.846 5.140 4.247 506 2HD1 LEU 66 HD12 LEU 66 58.646 3.398 4.432 507 3HD1 LEU 66 HD13 LEU 66 60.119 4.181 5.003 508 1HD2 LEU 66 HD21 LEU 66 56.718 5.689 6.870 509 2HD2 LEU 66 HD22 LEU 66 56.290 4.185 6.054 510 3HD2 LEU 66 HD23 LEU 66 56.903 5.551 5.121 511 H LYS 67 HN LYS 67 56.512 2.847 10.573 512 HA LYS 67 HA LYS 67 57.915 0.607 11.459 513 1HB LYS 67 HB2 LYS 67 55.274 1.784 12.002 514 2HB LYS 67 HB1 LYS 67 55.355 0.051 12.320 515 1HG LYS 67 HG2 LYS 67 57.558 1.844 13.300 516 2HG LYS 67 HG1 LYS 67 56.051 1.736 14.209 517 1HD LYS 67 HD2 LYS 67 56.505 -0.894 13.787 518 2HD LYS 67 HD1 LYS 67 58.169 -0.308 13.808 519 1HE LYS 67 HE2 LYS 67 56.234 0.556 15.945 520 2HE LYS 67 HE1 LYS 67 57.059 -0.998 16.068 521 1HZ LYS 67 HZ1 LYS 67 58.208 1.714 16.060 522 2HZ LYS 67 HZ2 LYS 67 59.151 0.388 15.572 523 3HZ LYS 67 HZ3 LYS 67 58.493 0.436 17.138 524 H LEU 68 HN LEU 68 57.123 -1.709 11.535 525 HA LEU 68 HA LEU 68 56.354 -2.535 8.799 526 1HB LEU 68 HB2 LEU 68 58.044 -3.600 10.836 527 2HB LEU 68 HB1 LEU 68 56.751 -4.766 10.552 528 HG LEU 68 HG LEU 68 57.815 -3.606 8.078 529 1HD1 LEU 68 HD11 LEU 68 59.935 -4.893 8.159 530 2HD1 LEU 68 HD12 LEU 68 59.615 -5.290 9.847 531 3HD1 LEU 68 HD13 LEU 68 59.903 -3.615 9.374 532 1HD2 LEU 68 HD21 LEU 68 58.141 -6.411 8.204 533 2HD2 LEU 68 HD22 LEU 68 56.825 -5.526 7.431 534 3HD2 LEU 68 HD23 LEU 68 56.669 -6.053 9.107 535 H ASP 69 HN ASP 69 55.033 -2.348 12.011 536 HA ASP 69 HA ASP 69 52.802 -4.169 11.338 537 1HB ASP 69 HB2 ASP 69 53.879 -2.916 13.798 538 2HB ASP 69 HB1 ASP 69 52.124 -3.095 13.745 539 H THR 70 HN THR 70 53.480 -1.169 10.405 540 HA THR 70 HA THR 70 50.756 -0.073 10.928 541 HB THR 70 HB THR 70 53.269 1.264 9.880 542 HG1 THR 70 HG1 THR 70 51.842 1.537 12.315 543 1HG2 THR 70 HG21 THR 70 50.571 1.989 9.505 544 2HG2 THR 70 HG22 THR 70 51.993 2.994 9.222 545 3HG2 THR 70 HG23 THR 70 51.178 3.039 10.785 546 H ARG 71 HN ARG 71 49.561 -1.211 9.352 547 HA ARG 71 HA ARG 71 50.447 -0.849 6.522 548 1HB ARG 71 HB2 ARG 71 49.804 -3.175 7.700 549 2HB ARG 71 HB1 ARG 71 48.187 -2.668 7.210 550 1HG ARG 71 HG2 ARG 71 48.643 -2.895 4.981 551 2HG ARG 71 HG1 ARG 71 50.313 -2.357 5.164 552 1HD ARG 71 HD2 ARG 71 50.605 -4.623 4.683 553 2HD ARG 71 HD1 ARG 71 50.610 -4.632 6.447 554 HE ARG 71 HE ARG 71 48.102 -5.205 4.925 555 1HH1 ARG 71 HH11 ARG 71 48.514 -5.147 8.009 556 2HH1 ARG 71 HH12 ARG 71 48.542 -6.847 8.340 557 1HH2 ARG 71 HH21 ARG 71 48.995 -7.755 5.025 558 2HH2 ARG 71 HH22 ARG 71 48.814 -8.323 6.651 559 H ILE 72 HN ILE 72 49.604 1.286 6.285 560 HA ILE 72 HA ILE 72 47.943 2.952 6.127 561 HB ILE 72 HB ILE 72 45.919 1.788 4.774 562 1HG1 ILE 72 HG12 ILE 72 48.306 -0.062 4.524 563 2HG1 ILE 72 HG11 ILE 72 46.678 -0.493 5.049 564 1HG2 ILE 72 HG21 ILE 72 47.124 2.380 2.755 565 2HG2 ILE 72 HG22 ILE 72 48.668 2.263 3.598 566 3HG2 ILE 72 HG23 ILE 72 47.534 3.549 4.010 567 1HD1 ILE 72 HD11 ILE 72 47.669 0.153 2.293 568 2HD1 ILE 72 HD12 ILE 72 45.987 0.496 2.700 569 3HD1 ILE 72 HD13 ILE 72 46.606 -1.152 2.818 570 H LYS 73 HN LYS 73 47.302 3.228 8.319 571 HA LYS 73 HA LYS 73 44.721 1.876 8.993 572 1HB LYS 73 HB2 LYS 73 46.844 1.180 10.339 573 2HB LYS 73 HB1 LYS 73 46.682 2.761 11.102 574 1HG LYS 73 HG2 LYS 73 44.849 2.136 12.287 575 2HG LYS 73 HG1 LYS 73 44.159 1.251 10.926 576 1HD LYS 73 HD2 LYS 73 46.343 -0.296 11.547 577 2HD LYS 73 HD1 LYS 73 45.841 0.275 13.139 578 1HE LYS 73 HE2 LYS 73 44.400 -1.494 13.020 579 2HE LYS 73 HE1 LYS 73 43.425 -0.364 12.082 580 1HZ LYS 73 HZ1 LYS 73 44.836 -1.240 10.122 581 2HZ LYS 73 HZ2 LYS 73 43.541 -2.178 10.698 582 3HZ LYS 73 HZ3 LYS 73 45.136 -2.564 11.139 583 H THR 74 HN THR 74 43.548 3.222 10.768 584 HA THR 74 HA THR 74 42.448 5.244 11.236 585 HB THR 74 HB THR 74 44.671 7.048 10.905 586 HG1 THR 74 HG1 THR 74 46.213 5.971 12.030 587 1HG2 THR 74 HG21 THR 74 44.466 6.999 13.464 588 2HG2 THR 74 HG22 THR 74 43.155 5.843 13.221 589 3HG2 THR 74 HG23 THR 74 43.026 7.474 12.562 590 H ARG 75 HN ARG 75 41.286 5.189 9.186 591 HA ARG 75 HA ARG 75 40.493 6.366 7.304 592 1HB ARG 75 HB2 ARG 75 41.891 8.284 8.648 593 2HB ARG 75 HB1 ARG 75 42.808 8.203 7.143 594 1HG ARG 75 HG2 ARG 75 40.910 8.736 5.826 595 2HG ARG 75 HG1 ARG 75 39.795 8.391 7.149 596 1HD ARG 75 HD2 ARG 75 39.847 10.592 7.637 597 2HD ARG 75 HD1 ARG 75 41.512 10.355 8.168 598 HE ARG 75 HE ARG 75 42.260 11.331 6.132 599 1HH1 ARG 75 HH11 ARG 75 39.418 9.822 5.255 600 2HH1 ARG 75 HH12 ARG 75 38.860 11.075 4.197 601 1HH2 ARG 75 HH21 ARG 75 41.318 13.332 5.141 602 2HH2 ARG 75 HH22 ARG 75 39.936 13.062 4.132 603 H LYS 76 HN LYS 76 42.348 7.603 5.340 604 HA LYS 76 HA LYS 76 43.930 5.221 4.495 605 1HB LYS 76 HB2 LYS 76 41.494 5.744 3.382 606 2HB LYS 76 HB1 LYS 76 42.549 6.683 2.324 607 1HG LYS 76 HG2 LYS 76 42.959 4.740 1.245 608 2HG LYS 76 HG1 LYS 76 43.933 4.299 2.649 609 1HD LYS 76 HD2 LYS 76 42.214 3.024 3.605 610 2HD LYS 76 HD1 LYS 76 40.959 3.844 2.675 611 1HE LYS 76 HE2 LYS 76 41.403 1.542 1.833 612 2HE LYS 76 HE1 LYS 76 41.737 2.776 0.618 613 1HZ LYS 76 HZ1 LYS 76 43.516 0.913 1.836 614 2HZ LYS 76 HZ2 LYS 76 44.078 2.507 2.011 615 3HZ LYS 76 HZ3 LYS 76 43.748 1.884 0.465 616 H ASN 77 HN ASN 77 43.115 8.561 3.470 617 HA ASN 77 HA ASN 77 44.568 10.369 3.047 618 1HB ASN 77 HB2 ASN 77 45.882 9.176 5.000 619 2HB ASN 77 HB1 ASN 77 46.957 8.672 3.695 620 1HD2 ASN 77 HD21 ASN 77 48.231 10.315 5.383 621 2HD2 ASN 77 HD22 ASN 77 48.321 11.908 4.803 Start of MODEL 29 1 1H MET 1 HT1 MET 1 76.710 20.757 -1.620 2 2H MET 1 HT2 MET 1 77.483 20.727 -0.108 3 3H MET 1 HT3 MET 1 76.939 22.199 -0.757 4 HA MET 1 HA MET 1 75.502 20.202 0.731 5 1HB MET 1 HB2 MET 1 75.762 23.045 0.522 6 2HB MET 1 HB1 MET 1 74.063 22.629 0.289 7 1HG MET 1 HG2 MET 1 73.884 21.625 2.395 8 2HG MET 1 HG1 MET 1 75.622 21.353 2.521 9 1HE MET 1 HE1 MET 1 75.875 22.208 4.839 10 2HE MET 1 HE2 MET 1 74.130 22.417 4.953 11 3HE MET 1 HE3 MET 1 75.201 23.716 5.472 12 H ASP 2 HN ASP 2 75.196 18.829 -1.342 13 HA ASP 2 HA ASP 2 73.009 19.874 -3.061 14 1HB ASP 2 HB2 ASP 2 75.006 17.652 -3.280 15 2HB ASP 2 HB1 ASP 2 73.481 17.498 -4.153 16 H ARG 3 HN ARG 3 71.942 19.561 -0.655 17 HA ARG 3 HA ARG 3 71.064 16.865 -0.057 18 1HB ARG 3 HB2 ARG 3 70.213 19.609 0.871 19 2HB ARG 3 HB1 ARG 3 69.342 18.160 1.374 20 1HG ARG 3 HG2 ARG 3 72.188 17.744 1.649 21 2HG ARG 3 HG1 ARG 3 71.704 19.205 2.512 22 1HD ARG 3 HD2 ARG 3 70.114 16.661 2.787 23 2HD ARG 3 HD1 ARG 3 71.550 16.938 3.772 24 HE ARG 3 HE ARG 3 69.836 19.231 3.922 25 1HH1 ARG 3 HH11 ARG 3 71.034 18.151 6.355 26 2HH1 ARG 3 HH12 ARG 3 69.705 17.384 7.157 27 1HH2 ARG 3 HH21 ARG 3 67.708 17.285 4.324 28 2HH2 ARG 3 HH22 ARG 3 67.821 16.894 6.007 29 H PHE 4 HN PHE 4 69.207 15.826 -0.737 30 HA PHE 4 HA PHE 4 67.575 17.269 -2.778 31 1HB PHE 4 HB2 PHE 4 68.111 14.325 -2.316 32 2HB PHE 4 HB1 PHE 4 66.878 14.910 -3.433 33 HD1 PHE 4 HD1 PHE 4 70.472 14.562 -2.806 34 HD2 PHE 4 HD2 PHE 4 67.504 16.199 -5.445 35 HE1 PHE 4 HE1 PHE 4 72.208 14.914 -4.541 36 HE2 PHE 4 HE2 PHE 4 69.240 16.551 -7.180 37 HZ PHE 4 HZ PHE 4 71.593 15.908 -6.728 38 H HIS 5 HN HIS 5 66.280 18.280 -1.062 39 HA HIS 5 HA HIS 5 64.418 16.349 0.264 40 1HB HIS 5 HB2 HIS 5 63.977 18.321 1.835 41 2HB HIS 5 HB1 HIS 5 65.567 17.570 1.967 42 HD1 HIS 5 HD1 HIS 5 67.607 18.937 1.205 43 HD2 HIS 5 HD2 HIS 5 63.989 20.913 0.591 44 HE1 HIS 5 HE1 HIS 5 68.190 21.329 0.610 45 H ALA 6 HN ALA 6 64.616 19.529 -1.342 46 HA ALA 6 HA ALA 6 61.689 19.662 -1.582 47 1HB ALA 6 HB1 ALA 6 63.521 21.611 -1.384 48 2HB ALA 6 HB2 ALA 6 61.995 21.851 -2.235 49 3HB ALA 6 HB3 ALA 6 63.462 21.485 -3.142 50 H THR 7 HN THR 7 63.744 17.706 -3.035 51 HA THR 7 HA THR 7 62.509 18.053 -5.740 52 HB THR 7 HB THR 7 64.695 16.373 -6.076 53 HG1 THR 7 HG1 THR 7 65.330 18.484 -4.291 54 1HG2 THR 7 HG21 THR 7 65.316 19.214 -6.428 55 2HG2 THR 7 HG22 THR 7 63.737 18.769 -7.076 56 3HG2 THR 7 HG23 THR 7 65.186 17.934 -7.635 57 H SER 8 HN SER 8 60.965 16.739 -3.944 58 HA SER 8 HA SER 8 61.309 14.043 -3.397 59 1HB SER 8 HB2 SER 8 59.251 14.710 -2.636 60 2HB SER 8 HB1 SER 8 58.958 15.745 -4.031 61 HG SER 8 HG SER 8 58.472 13.912 -5.234 62 H ALA 9 HN ALA 9 62.295 12.681 -4.851 63 HA ALA 9 HA ALA 9 61.849 12.802 -7.702 64 1HB ALA 9 HB1 ALA 9 62.921 10.470 -6.087 65 2HB ALA 9 HB2 ALA 9 63.901 11.843 -6.601 66 3HB ALA 9 HB3 ALA 9 63.177 10.776 -7.805 67 H ASP 10 HN ASP 10 61.066 10.688 -8.854 68 HA ASP 10 HA ASP 10 58.641 9.663 -7.432 69 1HB ASP 10 HB2 ASP 10 58.702 11.281 -9.735 70 2HB ASP 10 HB1 ASP 10 58.348 9.653 -10.315 71 H CYS 11 HN CYS 11 60.573 9.003 -10.383 72 HA CYS 11 HA CYS 11 60.127 6.114 -10.007 73 1HB CYS 11 HB2 CYS 11 61.817 7.517 -12.096 74 2HB CYS 11 HB1 CYS 11 61.220 5.859 -12.154 75 H CYS 12 HN CYS 12 62.274 4.757 -10.459 76 HA CYS 12 HA CYS 12 64.082 5.423 -8.255 77 1HB CYS 12 HB2 CYS 12 63.750 3.106 -10.135 78 2HB CYS 12 HB1 CYS 12 65.260 3.278 -9.241 79 H ILE 13 HN ILE 13 65.908 6.607 -8.493 80 HA ILE 13 HA ILE 13 67.000 6.945 -11.255 81 HB ILE 13 HB ILE 13 66.190 8.999 -10.003 82 1HG1 ILE 13 HG12 ILE 13 68.595 10.130 -10.324 83 2HG1 ILE 13 HG11 ILE 13 68.935 8.587 -11.108 84 1HG2 ILE 13 HG21 ILE 13 67.126 8.081 -7.789 85 2HG2 ILE 13 HG22 ILE 13 67.401 9.791 -8.117 86 3HG2 ILE 13 HG23 ILE 13 68.701 8.625 -8.364 87 1HD1 ILE 13 HD11 ILE 13 66.422 9.311 -12.087 88 2HD1 ILE 13 HD12 ILE 13 67.953 9.434 -12.954 89 3HD1 ILE 13 HD13 ILE 13 67.329 10.823 -12.063 90 H SER 14 HN SER 14 67.715 5.920 -8.000 91 HA SER 14 HA SER 14 70.154 4.613 -8.873 92 1HB SER 14 HB2 SER 14 71.551 5.921 -7.117 93 2HB SER 14 HB1 SER 14 71.251 6.691 -8.672 94 HG SER 14 HG SER 14 69.980 7.135 -6.183 95 H TYR 15 HN TYR 15 70.604 2.927 -7.473 96 HA TYR 15 HA TYR 15 68.780 2.621 -5.165 97 1HB TYR 15 HB2 TYR 15 70.844 0.633 -6.132 98 2HB TYR 15 HB1 TYR 15 69.393 0.315 -5.180 99 HD1 TYR 15 HD1 TYR 15 70.676 1.202 -8.533 100 HD2 TYR 15 HD2 TYR 15 67.210 0.180 -6.212 101 HE1 TYR 15 HE1 TYR 15 69.381 0.857 -10.620 102 HE2 TYR 15 HE2 TYR 15 65.914 -0.164 -8.298 103 HH TYR 15 HH TYR 15 66.542 -0.780 -10.769 104 H THR 16 HN THR 16 69.501 2.470 -3.028 105 HA THR 16 HA THR 16 71.820 3.909 -2.269 106 HB THR 16 HB THR 16 69.950 3.517 -0.727 107 HG1 THR 16 HG1 THR 16 71.266 3.497 0.917 108 1HG2 THR 16 HG21 THR 16 70.871 0.686 -0.342 109 2HG2 THR 16 HG22 THR 16 69.744 1.064 -1.645 110 3HG2 THR 16 HG23 THR 16 69.305 1.407 0.028 111 HA PRO 17 HA PRO 17 74.670 0.580 -3.295 112 1HB PRO 17 HB2 PRO 17 76.905 2.179 -3.192 113 2HB PRO 17 HB1 PRO 17 75.842 2.071 -4.605 114 1HG PRO 17 HG2 PRO 17 76.075 4.263 -2.594 115 2HG PRO 17 HG1 PRO 17 75.560 4.343 -4.287 116 1HD PRO 17 HD2 PRO 17 73.847 4.378 -2.038 117 2HD PRO 17 HD1 PRO 17 73.350 4.102 -3.722 118 H ARG 18 HN ARG 18 73.735 0.433 -0.753 119 HA ARG 18 HA ARG 18 76.157 -0.149 0.792 120 1HB ARG 18 HB2 ARG 18 74.215 2.022 1.606 121 2HB ARG 18 HB1 ARG 18 75.234 1.189 2.782 122 1HG ARG 18 HG2 ARG 18 77.237 1.824 1.415 123 2HG ARG 18 HG1 ARG 18 76.175 2.777 0.377 124 1HD ARG 18 HD2 ARG 18 77.021 4.337 1.950 125 2HD ARG 18 HD1 ARG 18 75.404 3.948 2.537 126 HE ARG 18 HE ARG 18 77.492 2.250 3.677 127 1HH1 ARG 18 HH21 ARG 18 77.343 5.516 3.904 128 2HH1 ARG 18 HH22 ARG 18 76.897 5.596 5.576 129 1HH2 ARG 18 HH11 ARG 18 76.219 2.205 5.831 130 2HH2 ARG 18 HH12 ARG 18 76.261 3.722 6.667 131 H SER 19 HN SER 19 75.699 -1.601 2.541 132 HA SER 19 HA SER 19 73.158 -3.048 2.210 133 1HB SER 19 HB2 SER 19 75.788 -3.728 3.028 134 2HB SER 19 HB1 SER 19 74.740 -4.015 4.414 135 HG SER 19 HG SER 19 74.854 -5.813 2.974 136 H ILE 20 HN ILE 20 71.406 -2.304 3.309 137 HA ILE 20 HA ILE 20 71.854 -1.007 5.955 138 HB ILE 20 HB ILE 20 69.396 -0.949 4.180 139 1HG1 ILE 20 HG12 ILE 20 71.527 1.163 4.642 140 2HG1 ILE 20 HG11 ILE 20 71.380 0.185 3.181 141 1HG2 ILE 20 HG21 ILE 20 70.142 0.754 6.575 142 2HG2 ILE 20 HG22 ILE 20 69.022 -0.608 6.637 143 3HG2 ILE 20 HG23 ILE 20 68.630 0.813 5.668 144 1HD1 ILE 20 HD11 ILE 20 69.576 1.357 2.420 145 2HD1 ILE 20 HD12 ILE 20 70.197 2.618 3.485 146 3HD1 ILE 20 HD13 ILE 20 68.900 1.558 4.037 147 HA PRO 21 HA PRO 21 70.045 -4.646 7.735 148 1HB PRO 21 HB2 PRO 21 69.933 -3.689 10.309 149 2HB PRO 21 HB1 PRO 21 71.422 -4.275 9.547 150 1HG PRO 21 HG2 PRO 21 70.588 -1.472 10.126 151 2HG PRO 21 HG1 PRO 21 72.217 -2.146 9.960 152 1HD PRO 21 HD2 PRO 21 70.826 -0.650 7.994 153 2HD PRO 21 HD1 PRO 21 72.314 -1.587 7.740 154 H CYS 22 HN CYS 22 67.918 -5.287 8.198 155 HA CYS 22 HA CYS 22 65.745 -3.588 7.627 156 1HB CYS 22 HB2 CYS 22 65.687 -6.013 9.444 157 2HB CYS 22 HB1 CYS 22 64.344 -5.348 8.521 158 H SER 23 HN SER 23 67.545 -4.022 10.582 159 HA SER 23 HA SER 23 65.581 -2.970 12.400 160 1HB SER 23 HB2 SER 23 68.578 -3.251 12.472 161 2HB SER 23 HB1 SER 23 67.735 -2.375 13.747 162 HG SER 23 HG SER 23 67.987 -4.629 14.190 163 H LEU 24 HN LEU 24 67.551 -1.506 9.991 164 HA LEU 24 HA LEU 24 67.114 1.190 11.196 165 1HB LEU 24 HB2 LEU 24 69.432 0.236 10.284 166 2HB LEU 24 HB1 LEU 24 68.778 0.790 8.743 167 HG LEU 24 HG LEU 24 68.545 2.664 11.044 168 1HD1 LEU 24 HD11 LEU 24 71.111 1.614 9.998 169 2HD1 LEU 24 HD12 LEU 24 70.758 2.393 11.540 170 3HD1 LEU 24 HD13 LEU 24 70.994 3.371 10.092 171 1HD2 LEU 24 HD21 LEU 24 69.432 4.126 9.003 172 2HD2 LEU 24 HD22 LEU 24 67.747 3.611 9.082 173 3HD2 LEU 24 HD23 LEU 24 68.891 2.731 8.069 174 H LEU 25 HN LEU 25 65.094 -0.504 9.740 175 HA LEU 25 HA LEU 25 64.451 1.489 7.606 176 1HB LEU 25 HB2 LEU 25 63.978 -1.507 7.510 177 2HB LEU 25 HB1 LEU 25 63.460 -0.350 6.283 178 HG LEU 25 HG LEU 25 66.339 -0.796 7.127 179 1HD1 LEU 25 HD11 LEU 25 66.576 -1.883 4.921 180 2HD1 LEU 25 HD12 LEU 25 64.847 -1.683 4.637 181 3HD1 LEU 25 HD13 LEU 25 65.412 -2.743 5.928 182 1HD2 LEU 25 HD21 LEU 25 64.925 1.116 5.339 183 2HD2 LEU 25 HD22 LEU 25 66.425 0.429 4.715 184 3HD2 LEU 25 HD23 LEU 25 66.429 1.319 6.238 185 H GLU 26 HN GLU 26 62.377 2.284 7.709 186 HA GLU 26 HA GLU 26 60.693 1.335 9.952 187 1HB GLU 26 HB2 GLU 26 61.252 3.848 9.116 188 2HB GLU 26 HB1 GLU 26 59.769 3.555 8.206 189 1HG GLU 26 HG2 GLU 26 58.976 2.601 10.586 190 2HG GLU 26 HG1 GLU 26 60.177 3.762 11.152 191 H SER 27 HN SER 27 60.554 1.722 6.419 192 HA SER 27 HA SER 27 58.673 -0.488 6.207 193 1HB SER 27 HB2 SER 27 57.184 1.403 4.846 194 2HB SER 27 HB1 SER 27 56.798 0.759 6.439 195 HG SER 27 HG SER 27 56.891 2.952 6.655 196 H TYR 28 HN TYR 28 57.816 -0.405 3.727 197 HA TYR 28 HA TYR 28 59.694 0.827 1.866 198 1HB TYR 28 HB2 TYR 28 60.727 -1.183 1.037 199 2HB TYR 28 HB1 TYR 28 60.952 -1.174 2.786 200 HD1 TYR 28 HD1 TYR 28 59.412 -2.867 -0.040 201 HD2 TYR 28 HD2 TYR 28 59.448 -2.559 4.245 202 HE1 TYR 28 HE1 TYR 28 58.231 -5.042 0.127 203 HE2 TYR 28 HE2 TYR 28 58.268 -4.733 4.412 204 HH TYR 28 HH TYR 28 57.625 -6.566 3.269 205 H PHE 29 HN PHE 29 59.070 0.359 -0.389 206 HA PHE 29 HA PHE 29 56.612 -1.168 -0.855 207 1HB PHE 29 HB2 PHE 29 55.655 1.060 -1.963 208 2HB PHE 29 HB1 PHE 29 55.360 0.687 -0.265 209 HD1 PHE 29 HD1 PHE 29 56.829 1.707 1.506 210 HD2 PHE 29 HD2 PHE 29 56.999 2.927 -2.609 211 HE1 PHE 29 HE1 PHE 29 58.011 3.783 2.171 212 HE2 PHE 29 HE2 PHE 29 58.182 5.004 -1.945 213 HZ PHE 29 HZ PHE 29 58.687 5.432 0.445 214 H GLU 30 HN GLU 30 55.910 -0.538 -3.308 215 HA GLU 30 HA GLU 30 58.449 -0.720 -4.863 216 1HB GLU 30 HB2 GLU 30 55.684 -1.806 -5.232 217 2HB GLU 30 HB1 GLU 30 56.645 -1.465 -6.672 218 1HG GLU 30 HG2 GLU 30 57.318 -3.641 -6.248 219 2HG GLU 30 HG1 GLU 30 58.523 -2.757 -5.309 220 H THR 31 HN THR 31 58.556 0.462 -6.910 221 HA THR 31 HA THR 31 57.377 3.133 -6.674 222 HB THR 31 HB THR 31 58.616 3.301 -9.014 223 HG1 THR 31 HG1 THR 31 60.478 1.733 -8.667 224 1HG2 THR 31 HG21 THR 31 59.284 3.818 -6.350 225 2HG2 THR 31 HG22 THR 31 60.125 4.426 -7.775 226 3HG2 THR 31 HG23 THR 31 60.676 2.945 -6.991 227 H ASN 32 HN ASN 32 56.446 4.088 -8.825 228 HA ASN 32 HA ASN 32 54.066 2.599 -9.473 229 1HB ASN 32 HB2 ASN 32 55.272 5.193 -10.245 230 2HB ASN 32 HB1 ASN 32 54.192 4.475 -11.440 231 1HD2 ASN 32 HD21 ASN 32 53.326 6.820 -10.207 232 2HD2 ASN 32 HD22 ASN 32 52.076 6.476 -9.111 233 H SER 33 HN SER 33 53.655 1.257 -11.204 234 HA SER 33 HA SER 33 55.861 0.108 -12.641 235 1HB SER 33 HB2 SER 33 53.003 -0.325 -12.413 236 2HB SER 33 HB1 SER 33 53.517 -0.449 -14.093 237 HG SER 33 HG SER 33 55.121 -1.925 -13.402 238 H GLU 34 HN GLU 34 53.813 2.848 -13.237 239 HA GLU 34 HA GLU 34 54.119 3.005 -16.087 240 1HB GLU 34 HB2 GLU 34 53.522 5.037 -13.936 241 2HB GLU 34 HB1 GLU 34 53.706 5.518 -15.624 242 1HG GLU 34 HG2 GLU 34 51.914 4.017 -16.299 243 2HG GLU 34 HG1 GLU 34 51.784 3.382 -14.658 244 H CYS 35 HN CYS 35 56.250 3.720 -13.437 245 HA CYS 35 HA CYS 35 57.990 5.572 -14.768 246 1HB CYS 35 HB2 CYS 35 58.307 3.684 -12.444 247 2HB CYS 35 HB1 CYS 35 59.702 4.559 -13.074 248 H SER 36 HN SER 36 59.935 5.174 -15.920 249 HA SER 36 HA SER 36 59.941 2.760 -17.525 250 1HB SER 36 HB2 SER 36 61.056 5.309 -17.746 251 2HB SER 36 HB1 SER 36 62.450 4.252 -17.541 252 HG SER 36 HG SER 36 62.105 4.000 -19.627 253 H LYS 37 HN LYS 37 61.517 3.773 -14.582 254 HA LYS 37 HA LYS 37 62.993 1.170 -14.560 255 1HB LYS 37 HB2 LYS 37 63.868 3.926 -13.732 256 2HB LYS 37 HB1 LYS 37 64.566 2.510 -12.946 257 1HG LYS 37 HG2 LYS 37 65.064 1.610 -15.273 258 2HG LYS 37 HG1 LYS 37 64.632 3.205 -15.890 259 1HD LYS 37 HD2 LYS 37 66.968 3.345 -15.606 260 2HD LYS 37 HD1 LYS 37 66.331 4.105 -14.147 261 1HE LYS 37 HE2 LYS 37 66.633 1.193 -13.907 262 2HE LYS 37 HE1 LYS 37 68.157 2.035 -14.185 263 1HZ LYS 37 HZ1 LYS 37 68.097 2.450 -12.010 264 2HZ LYS 37 HZ2 LYS 37 66.453 2.045 -11.872 265 3HZ LYS 37 HZ3 LYS 37 66.908 3.604 -12.370 266 HA PRO 38 HA PRO 38 60.185 1.086 -10.992 267 1HB PRO 38 HB2 PRO 38 59.852 -1.641 -11.087 268 2HB PRO 38 HB1 PRO 38 58.888 -0.502 -12.040 269 1HG PRO 38 HG2 PRO 38 61.100 -2.295 -12.931 270 2HG PRO 38 HG1 PRO 38 59.733 -1.654 -13.859 271 1HD PRO 38 HD2 PRO 38 62.386 -0.681 -13.945 272 2HD PRO 38 HD1 PRO 38 60.950 0.151 -14.581 273 H GLY 39 HN GLY 39 60.429 -0.165 -8.897 274 1HA GLY 39 HA2 GLY 39 62.573 -1.834 -8.251 275 2HA GLY 39 HA1 GLY 39 63.138 -0.182 -8.026 276 H VAL 40 HN VAL 40 63.235 -1.175 -5.711 277 HA VAL 40 HA VAL 40 60.573 -0.837 -4.391 278 HB VAL 40 HB VAL 40 62.993 -2.161 -3.159 279 1HG1 VAL 40 HG11 VAL 40 60.006 -2.383 -2.676 280 2HG1 VAL 40 HG12 VAL 40 61.149 -1.504 -1.661 281 3HG1 VAL 40 HG13 VAL 40 61.252 -3.261 -1.789 282 1HG2 VAL 40 HG21 VAL 40 61.086 -3.178 -5.211 283 2HG2 VAL 40 HG22 VAL 40 61.464 -4.262 -3.872 284 3HG2 VAL 40 HG23 VAL 40 62.757 -3.647 -4.901 285 H ILE 41 HN ILE 41 60.389 0.691 -2.752 286 HA ILE 41 HA ILE 41 62.768 2.450 -2.366 287 HB ILE 41 HB ILE 41 59.819 2.981 -1.891 288 1HG1 ILE 41 HG12 ILE 41 61.780 3.877 -4.025 289 2HG1 ILE 41 HG11 ILE 41 60.319 2.916 -4.258 290 1HG2 ILE 41 HG21 ILE 41 60.473 5.250 -1.370 291 2HG2 ILE 41 HG22 ILE 41 62.158 4.904 -1.757 292 3HG2 ILE 41 HG23 ILE 41 61.411 4.172 -0.337 293 1HD1 ILE 41 HD11 ILE 41 60.290 5.722 -3.121 294 2HD1 ILE 41 HD12 ILE 41 58.908 4.770 -3.664 295 3HD1 ILE 41 HD13 ILE 41 60.078 5.373 -4.837 296 H PHE 42 HN PHE 42 63.829 2.142 -0.473 297 HA PHE 42 HA PHE 42 62.380 0.865 1.782 298 1HB PHE 42 HB2 PHE 42 65.252 1.173 1.002 299 2HB PHE 42 HB1 PHE 42 64.869 0.991 2.715 300 HD1 PHE 42 HD1 PHE 42 65.789 -1.227 3.006 301 HD2 PHE 42 HD2 PHE 42 62.848 -0.451 -0.027 302 HE1 PHE 42 HE1 PHE 42 65.484 -3.666 2.678 303 HE2 PHE 42 HE2 PHE 42 62.543 -2.890 -0.355 304 HZ PHE 42 HZ PHE 42 63.861 -4.498 0.998 305 H LEU 43 HN LEU 43 61.619 2.121 3.400 306 HA LEU 43 HA LEU 43 62.589 4.921 3.605 307 1HB LEU 43 HB2 LEU 43 60.121 4.399 3.462 308 2HB LEU 43 HB1 LEU 43 60.258 3.619 5.037 309 HG LEU 43 HG LEU 43 61.371 5.876 5.766 310 1HD1 LEU 43 HD11 LEU 43 61.514 6.827 3.506 311 2HD1 LEU 43 HD12 LEU 43 60.454 7.811 4.516 312 3HD1 LEU 43 HD13 LEU 43 59.763 6.703 3.330 313 1HD2 LEU 43 HD21 LEU 43 58.527 6.436 5.325 314 2HD2 LEU 43 HD22 LEU 43 59.404 6.215 6.839 315 3HD2 LEU 43 HD23 LEU 43 58.815 4.812 5.948 316 H THR 44 HN THR 44 63.407 5.745 5.579 317 HA THR 44 HA THR 44 64.359 3.639 7.465 318 HB THR 44 HB THR 44 66.186 5.007 7.950 319 HG1 THR 44 HG1 THR 44 65.971 7.081 8.203 320 1HG2 THR 44 HG21 THR 44 65.700 6.213 5.260 321 2HG2 THR 44 HG22 THR 44 65.782 4.455 5.378 322 3HG2 THR 44 HG23 THR 44 67.151 5.438 5.897 323 H LYS 45 HN LYS 45 64.507 4.472 9.820 324 HA LYS 45 HA LYS 45 61.838 5.336 10.617 325 1HB LYS 45 HB2 LYS 45 63.354 3.679 11.866 326 2HB LYS 45 HB1 LYS 45 64.246 5.094 12.427 327 1HG LYS 45 HG2 LYS 45 61.655 5.847 12.924 328 2HG LYS 45 HG1 LYS 45 61.586 4.111 13.232 329 1HD LYS 45 HD2 LYS 45 63.446 4.271 14.800 330 2HD LYS 45 HD1 LYS 45 63.645 5.985 14.433 331 1HE LYS 45 HE2 LYS 45 61.406 6.459 15.316 332 2HE LYS 45 HE1 LYS 45 61.154 4.744 15.637 333 1HZ LYS 45 HZ1 LYS 45 61.995 5.208 17.634 334 2HZ LYS 45 HZ2 LYS 45 62.654 6.691 17.132 335 3HZ LYS 45 HZ3 LYS 45 63.505 5.246 16.864 336 H LYS 46 HN LYS 46 64.555 6.996 9.593 337 HA LYS 46 HA LYS 46 64.073 9.327 11.366 338 1HB LYS 46 HB2 LYS 46 66.365 8.263 10.041 339 2HB LYS 46 HB1 LYS 46 66.047 9.861 9.366 340 1HG LYS 46 HG2 LYS 46 65.753 9.740 12.289 341 2HG LYS 46 HG1 LYS 46 67.388 9.391 11.726 342 1HD LYS 46 HD2 LYS 46 67.169 11.482 10.261 343 2HD LYS 46 HD1 LYS 46 65.737 11.870 11.215 344 1HE LYS 46 HE2 LYS 46 68.558 11.489 12.258 345 2HE LYS 46 HE1 LYS 46 67.647 12.998 12.205 346 1HZ LYS 46 HZ1 LYS 46 67.266 10.659 13.946 347 2HZ LYS 46 HZ2 LYS 46 65.940 11.658 13.587 348 3HZ LYS 46 HZ3 LYS 46 67.311 12.304 14.354 349 H GLY 47 HN GLY 47 64.779 9.084 7.885 350 1HA GLY 47 HA2 GLY 47 62.356 9.954 6.847 351 2HA GLY 47 HA1 GLY 47 63.237 11.415 7.279 352 H ARG 48 HN ARG 48 64.066 8.295 5.726 353 HA ARG 48 HA ARG 48 65.154 9.839 3.428 354 1HB ARG 48 HB2 ARG 48 66.857 8.940 5.354 355 2HB ARG 48 HB1 ARG 48 66.802 7.534 4.290 356 1HG ARG 48 HG2 ARG 48 67.804 8.640 2.543 357 2HG ARG 48 HG1 ARG 48 67.095 10.194 2.984 358 1HD ARG 48 HD2 ARG 48 69.201 10.664 3.721 359 2HD ARG 48 HD1 ARG 48 68.699 9.746 5.141 360 HE ARG 48 HE ARG 48 69.804 7.755 4.085 361 1HH1 ARG 48 HH21 ARG 48 70.023 10.028 1.719 362 2HH1 ARG 48 HH22 ARG 48 71.748 10.006 1.565 363 1HH2 ARG 48 HH11 ARG 48 72.244 8.104 4.422 364 2HH2 ARG 48 HH12 ARG 48 73.006 8.917 3.096 365 H ARG 49 HN ARG 49 64.715 8.844 1.493 366 HA ARG 49 HA ARG 49 63.748 6.014 1.605 367 1HB ARG 49 HB2 ARG 49 62.711 8.049 -0.369 368 2HB ARG 49 HB1 ARG 49 61.994 6.506 0.095 369 1HG ARG 49 HG2 ARG 49 60.872 7.462 1.796 370 2HG ARG 49 HG1 ARG 49 62.342 8.213 2.416 371 1HD ARG 49 HD2 ARG 49 61.026 9.355 -0.029 372 2HD ARG 49 HD1 ARG 49 60.363 9.726 1.563 373 HE ARG 49 HE ARG 49 63.228 10.158 1.474 374 1HH1 ARG 49 HH11 ARG 49 61.493 11.541 -0.819 375 2HH1 ARG 49 HH12 ARG 49 61.410 13.139 -0.155 376 1HH2 ARG 49 HH21 ARG 49 62.547 12.180 2.978 377 2HH2 ARG 49 HH22 ARG 49 62.008 13.500 1.996 378 H PHE 50 HN PHE 50 64.928 4.691 0.302 379 HA PHE 50 HA PHE 50 66.279 5.909 -2.069 380 1HB PHE 50 HB2 PHE 50 68.070 4.025 -1.483 381 2HB PHE 50 HB1 PHE 50 68.156 5.625 -0.747 382 HD1 PHE 50 HD1 PHE 50 67.437 5.990 1.574 383 HD2 PHE 50 HD2 PHE 50 67.350 2.081 -0.205 384 HE1 PHE 50 HE1 PHE 50 67.179 4.973 3.821 385 HE2 PHE 50 HE2 PHE 50 67.092 1.064 2.043 386 HZ PHE 50 HZ PHE 50 67.006 2.510 4.056 387 H CYS 51 HN CYS 51 66.597 4.421 -3.843 388 HA CYS 51 HA CYS 51 64.488 2.405 -4.014 389 1HB CYS 51 HB2 CYS 51 66.540 3.536 -5.897 390 2HB CYS 51 HB1 CYS 51 65.700 2.044 -6.315 391 H ALA 52 HN ALA 52 64.962 0.144 -4.638 392 HA ALA 52 HA ALA 52 67.685 -0.812 -3.953 393 1HB ALA 52 HB1 ALA 52 65.180 -1.906 -2.637 394 2HB ALA 52 HB2 ALA 52 66.349 -0.851 -1.844 395 3HB ALA 52 HB3 ALA 52 66.832 -2.464 -2.369 396 H ASN 53 HN ASN 53 67.919 -3.163 -4.542 397 HA ASN 53 HA ASN 53 66.515 -3.664 -7.077 398 1HB ASN 53 HB2 ASN 53 68.986 -4.018 -6.814 399 2HB ASN 53 HB1 ASN 53 68.631 -5.342 -5.703 400 1HD2 ASN 53 HD21 ASN 53 70.017 -5.883 -8.116 401 2HD2 ASN 53 HD22 ASN 53 69.004 -6.770 -9.149 402 HA PRO 54 HA PRO 54 63.652 -6.265 -4.809 403 1HB PRO 54 HB2 PRO 54 61.980 -6.684 -6.953 404 2HB PRO 54 HB1 PRO 54 61.935 -5.228 -5.943 405 1HG PRO 54 HG2 PRO 54 63.027 -5.569 -8.699 406 2HG PRO 54 HG1 PRO 54 62.375 -4.117 -7.922 407 1HD PRO 54 HD2 PRO 54 65.114 -4.695 -8.286 408 2HD PRO 54 HD1 PRO 54 64.450 -3.455 -7.201 409 H SER 55 HN SER 55 65.924 -7.045 -7.082 410 HA SER 55 HA SER 55 64.995 -9.871 -7.332 411 1HB SER 55 HB2 SER 55 67.159 -8.407 -8.873 412 2HB SER 55 HB1 SER 55 66.629 -10.062 -9.160 413 HG SER 55 HG SER 55 64.454 -8.991 -9.366 414 H ASP 56 HN ASP 56 66.981 -7.945 -5.463 415 HA ASP 56 HA ASP 56 69.219 -9.815 -5.201 416 1HB ASP 56 HB2 ASP 56 69.262 -7.255 -4.822 417 2HB ASP 56 HB1 ASP 56 68.529 -7.612 -3.258 418 H LYS 57 HN LYS 57 69.426 -11.399 -3.643 419 HA LYS 57 HA LYS 57 67.097 -12.413 -2.342 420 1HB LYS 57 HB2 LYS 57 68.788 -13.783 -1.014 421 2HB LYS 57 HB1 LYS 57 68.903 -13.930 -2.768 422 1HG LYS 57 HG2 LYS 57 70.788 -12.472 -2.869 423 2HG LYS 57 HG1 LYS 57 70.548 -11.930 -1.207 424 1HD LYS 57 HD2 LYS 57 71.034 -14.230 -0.406 425 2HD LYS 57 HD1 LYS 57 71.339 -14.728 -2.071 426 1HE LYS 57 HE2 LYS 57 73.085 -12.876 -2.175 427 2HE LYS 57 HE1 LYS 57 72.897 -12.721 -0.428 428 1HZ LYS 57 HZ1 LYS 57 73.245 -15.433 -1.328 429 2HZ LYS 57 HZ2 LYS 57 74.019 -14.598 -0.066 430 3HZ LYS 57 HZ3 LYS 57 74.576 -14.436 -1.663 431 H GLN 58 HN GLN 58 69.663 -10.241 -1.238 432 HA GLN 58 HA GLN 58 69.032 -10.261 1.537 433 1HB GLN 58 HB2 GLN 58 70.269 -8.215 1.685 434 2HB GLN 58 HB1 GLN 58 71.039 -9.158 0.409 435 1HG GLN 58 HG2 GLN 58 69.834 -7.900 -1.301 436 2HG GLN 58 HG1 GLN 58 68.954 -7.007 -0.060 437 1HE2 GLN 58 HE21 GLN 58 70.744 -5.802 -2.066 438 2HE2 GLN 58 HE22 GLN 58 72.009 -5.064 -1.209 439 H VAL 59 HN VAL 59 67.540 -8.602 -1.188 440 HA VAL 59 HA VAL 59 65.894 -6.859 0.454 441 HB VAL 59 HB VAL 59 65.708 -7.724 -2.445 442 1HG1 VAL 59 HG11 VAL 59 63.704 -6.534 -0.759 443 2HG1 VAL 59 HG12 VAL 59 63.610 -6.912 -2.479 444 3HG1 VAL 59 HG13 VAL 59 64.231 -5.347 -1.953 445 1HG2 VAL 59 HG21 VAL 59 66.769 -5.327 -0.957 446 2HG2 VAL 59 HG22 VAL 59 66.240 -5.171 -2.632 447 3HG2 VAL 59 HG23 VAL 59 67.550 -6.278 -2.221 448 H GLN 60 HN GLN 60 65.394 -9.971 -1.201 449 HA GLN 60 HA GLN 60 62.626 -10.227 -0.452 450 1HB GLN 60 HB2 GLN 60 64.733 -12.240 -1.270 451 2HB GLN 60 HB1 GLN 60 63.068 -12.702 -0.912 452 1HG GLN 60 HG2 GLN 60 62.304 -11.023 -2.620 453 2HG GLN 60 HG1 GLN 60 63.995 -10.766 -3.052 454 1HE2 GLN 60 HE21 GLN 60 63.913 -11.726 -5.162 455 2HE2 GLN 60 HE22 GLN 60 63.586 -13.373 -5.409 456 H VAL 61 HN VAL 61 65.670 -11.159 1.097 457 HA VAL 61 HA VAL 61 64.514 -12.752 3.183 458 HB VAL 61 HB VAL 61 67.086 -11.159 3.032 459 1HG1 VAL 61 HG11 VAL 61 66.254 -13.163 5.151 460 2HG1 VAL 61 HG12 VAL 61 66.273 -11.416 5.391 461 3HG1 VAL 61 HG13 VAL 61 67.778 -12.280 5.077 462 1HG2 VAL 61 HG21 VAL 61 66.715 -13.208 1.565 463 2HG2 VAL 61 HG22 VAL 61 66.622 -14.153 3.051 464 3HG2 VAL 61 HG23 VAL 61 68.109 -13.298 2.641 465 H CYS 62 HN CYS 62 65.275 -9.281 2.960 466 HA CYS 62 HA CYS 62 64.383 -8.710 5.662 467 1HB CYS 62 HB2 CYS 62 65.970 -7.297 4.216 468 2HB CYS 62 HB1 CYS 62 64.523 -6.724 3.387 469 H MET 63 HN MET 63 62.873 -8.772 2.478 470 HA MET 63 HA MET 63 60.512 -7.341 2.954 471 1HB MET 63 HB2 MET 63 61.373 -9.447 1.127 472 2HB MET 63 HB1 MET 63 59.663 -9.591 1.536 473 1HG MET 63 HG2 MET 63 59.662 -6.983 1.111 474 2HG MET 63 HG1 MET 63 61.099 -7.349 0.156 475 1HE MET 63 HE1 MET 63 59.630 -6.756 -2.521 476 2HE MET 63 HE2 MET 63 60.177 -8.374 -2.950 477 3HE MET 63 HE3 MET 63 61.102 -7.416 -1.798 478 H ARG 64 HN ARG 64 61.508 -10.436 4.235 479 HA ARG 64 HA ARG 64 58.830 -11.137 5.196 480 1HB ARG 64 HB2 ARG 64 61.387 -12.440 4.955 481 2HB ARG 64 HB1 ARG 64 60.807 -12.597 6.613 482 1HG ARG 64 HG2 ARG 64 59.869 -14.452 5.454 483 2HG ARG 64 HG1 ARG 64 58.554 -13.284 5.592 484 1HD ARG 64 HD2 ARG 64 58.524 -12.848 3.348 485 2HD ARG 64 HD1 ARG 64 60.273 -13.013 3.189 486 HE ARG 64 HE ARG 64 59.277 -15.595 3.718 487 1HH1 ARG 64 HH11 ARG 64 59.632 -13.242 1.264 488 2HH1 ARG 64 HH12 ARG 64 59.033 -14.260 -0.003 489 1HH2 ARG 64 HH21 ARG 64 58.211 -16.872 2.124 490 2HH2 ARG 64 HH22 ARG 64 58.229 -16.315 0.484 491 H MET 65 HN MET 65 61.836 -9.840 6.593 492 HA MET 65 HA MET 65 61.064 -9.815 9.311 493 1HB MET 65 HB2 MET 65 63.318 -9.131 8.180 494 2HB MET 65 HB1 MET 65 62.595 -7.524 8.097 495 1HG MET 65 HG2 MET 65 62.808 -7.188 10.329 496 2HG MET 65 HG1 MET 65 62.271 -8.823 10.714 497 1HE MET 65 HE1 MET 65 63.478 -9.770 12.211 498 2HE MET 65 HE2 MET 65 65.170 -10.259 12.163 499 3HE MET 65 HE3 MET 65 64.026 -10.956 11.017 500 H LEU 66 HN LEU 66 60.861 -7.031 7.055 501 HA LEU 66 HA LEU 66 59.102 -5.556 8.808 502 1HB LEU 66 HB2 LEU 66 60.071 -5.252 5.988 503 2HB LEU 66 HB1 LEU 66 58.681 -4.298 6.511 504 HG LEU 66 HG LEU 66 60.402 -3.982 8.628 505 1HD1 LEU 66 HD11 LEU 66 61.997 -5.086 6.645 506 2HD1 LEU 66 HD12 LEU 66 62.576 -4.141 8.016 507 3HD1 LEU 66 HD13 LEU 66 62.277 -3.354 6.466 508 1HD2 LEU 66 HD21 LEU 66 59.528 -2.426 6.281 509 2HD2 LEU 66 HD22 LEU 66 61.023 -1.844 7.013 510 3HD2 LEU 66 HD23 LEU 66 59.557 -1.970 7.985 511 H LYS 67 HN LYS 67 57.527 -7.374 9.155 512 HA LYS 67 HA LYS 67 55.852 -8.267 6.973 513 1HB LYS 67 HB2 LYS 67 56.184 -9.474 9.179 514 2HB LYS 67 HB1 LYS 67 55.150 -8.251 9.919 515 1HG LYS 67 HG2 LYS 67 53.348 -9.425 9.261 516 2HG LYS 67 HG1 LYS 67 53.809 -9.136 7.584 517 1HD LYS 67 HD2 LYS 67 55.240 -11.130 7.610 518 2HD LYS 67 HD1 LYS 67 54.837 -11.412 9.304 519 1HE LYS 67 HE2 LYS 67 52.625 -12.007 8.816 520 2HE LYS 67 HE1 LYS 67 52.645 -11.182 7.258 521 1HZ LYS 67 HZ1 LYS 67 53.862 -12.866 6.284 522 2HZ LYS 67 HZ2 LYS 67 52.824 -13.729 7.315 523 3HZ LYS 67 HZ3 LYS 67 54.441 -13.462 7.762 524 H LEU 68 HN LEU 68 55.961 -5.395 8.855 525 HA LEU 68 HA LEU 68 53.134 -4.723 8.578 526 1HB LEU 68 HB2 LEU 68 54.007 -2.402 9.252 527 2HB LEU 68 HB1 LEU 68 54.239 -3.702 10.422 528 HG LEU 68 HG LEU 68 56.432 -3.496 8.485 529 1HD1 LEU 68 HD11 LEU 68 55.888 -1.199 10.393 530 2HD1 LEU 68 HD12 LEU 68 55.889 -1.105 8.632 531 3HD1 LEU 68 HD13 LEU 68 57.388 -1.441 9.498 532 1HD2 LEU 68 HD21 LEU 68 55.941 -4.000 11.356 533 2HD2 LEU 68 HD22 LEU 68 57.464 -3.184 11.004 534 3HD2 LEU 68 HD23 LEU 68 57.110 -4.746 10.267 535 H ASP 69 HN ASP 69 53.771 -5.419 6.087 536 HA ASP 69 HA ASP 69 54.852 -3.255 4.483 537 1HB ASP 69 HB2 ASP 69 54.713 -5.775 3.896 538 2HB ASP 69 HB1 ASP 69 53.042 -5.435 3.444 539 H THR 70 HN THR 70 51.565 -4.658 4.305 540 HA THR 70 HA THR 70 50.251 -2.124 4.761 541 HB THR 70 HB THR 70 49.849 -3.013 1.941 542 HG1 THR 70 HG1 THR 70 51.634 -1.643 1.360 543 1HG2 THR 70 HG21 THR 70 48.879 -0.981 3.475 544 2HG2 THR 70 HG22 THR 70 48.971 -0.925 1.715 545 3HG2 THR 70 HG23 THR 70 50.239 -0.180 2.688 546 H ARG 71 HN ARG 71 47.938 -2.384 4.775 547 HA ARG 71 HA ARG 71 47.006 -4.968 5.502 548 1HB ARG 71 HB2 ARG 71 45.828 -2.317 5.033 549 2HB ARG 71 HB1 ARG 71 44.731 -3.647 4.657 550 1HG ARG 71 HG2 ARG 71 44.315 -3.448 6.920 551 2HG ARG 71 HG1 ARG 71 45.663 -4.585 6.974 552 1HD ARG 71 HD2 ARG 71 46.837 -3.106 8.194 553 2HD ARG 71 HD1 ARG 71 46.780 -1.975 6.842 554 HE ARG 71 HE ARG 71 44.313 -1.669 8.069 555 1HH1 ARG 71 HH11 ARG 71 46.865 0.176 8.061 556 2HH1 ARG 71 HH12 ARG 71 46.935 0.566 9.747 557 1HH2 ARG 71 HH21 ARG 71 44.713 -1.925 10.686 558 2HH2 ARG 71 HH22 ARG 71 45.716 -0.624 11.233 559 H ILE 72 HN ILE 72 45.165 -6.112 4.287 560 HA ILE 72 HA ILE 72 45.709 -6.071 1.349 561 HB ILE 72 HB ILE 72 45.460 -8.500 1.332 562 1HG1 ILE 72 HG12 ILE 72 45.428 -8.653 4.310 563 2HG1 ILE 72 HG11 ILE 72 43.913 -8.220 3.517 564 1HG2 ILE 72 HG21 ILE 72 47.293 -8.058 3.658 565 2HG2 ILE 72 HG22 ILE 72 47.648 -7.229 2.143 566 3HG2 ILE 72 HG23 ILE 72 47.560 -8.990 2.185 567 1HD1 ILE 72 HD11 ILE 72 44.593 -10.771 3.910 568 2HD1 ILE 72 HD12 ILE 72 45.461 -10.516 2.396 569 3HD1 ILE 72 HD13 ILE 72 43.716 -10.267 2.465 570 H LYS 73 HN LYS 73 43.595 -8.318 1.309 571 HA LYS 73 HA LYS 73 41.315 -6.513 0.954 572 1HB LYS 73 HB2 LYS 73 41.131 -9.512 0.800 573 2HB LYS 73 HB1 LYS 73 40.267 -8.297 -0.143 574 1HG LYS 73 HG2 LYS 73 42.835 -7.713 -0.827 575 2HG LYS 73 HG1 LYS 73 42.960 -9.454 -0.570 576 1HD LYS 73 HD2 LYS 73 40.684 -9.424 -1.989 577 2HD LYS 73 HD1 LYS 73 41.410 -7.947 -2.624 578 1HE LYS 73 HE2 LYS 73 43.314 -9.091 -3.434 579 2HE LYS 73 HE1 LYS 73 42.991 -10.510 -2.437 580 1HZ LYS 73 HZ1 LYS 73 41.995 -11.336 -4.228 581 2HZ LYS 73 HZ2 LYS 73 41.981 -9.838 -5.029 582 3HZ LYS 73 HZ3 LYS 73 40.739 -10.233 -3.940 583 H THR 74 HN THR 74 41.959 -9.423 2.943 584 HA THR 74 HA THR 74 40.304 -8.246 5.093 585 HB THR 74 HB THR 74 38.645 -9.501 3.844 586 HG1 THR 74 HG1 THR 74 38.071 -10.968 5.450 587 1HG2 THR 74 HG21 THR 74 40.827 -11.556 3.786 588 2HG2 THR 74 HG22 THR 74 39.782 -11.001 2.478 589 3HG2 THR 74 HG23 THR 74 39.146 -12.085 3.716 590 H ARG 75 HN ARG 75 40.579 -9.472 7.144 591 HA ARG 75 HA ARG 75 43.317 -10.585 7.293 592 1HB ARG 75 HB2 ARG 75 41.658 -9.041 9.027 593 2HB ARG 75 HB1 ARG 75 42.000 -10.572 9.835 594 1HG ARG 75 HG2 ARG 75 43.916 -9.474 10.448 595 2HG ARG 75 HG1 ARG 75 44.460 -10.030 8.865 596 1HD ARG 75 HD2 ARG 75 44.958 -7.726 8.832 597 2HD ARG 75 HD1 ARG 75 43.422 -7.826 7.971 598 HE ARG 75 HE ARG 75 43.262 -7.306 10.875 599 1HH1 ARG 75 HH11 ARG 75 44.500 -4.912 9.679 600 2HH1 ARG 75 HH12 ARG 75 43.133 -3.981 9.166 601 1HH2 ARG 75 HH21 ARG 75 40.921 -6.647 9.332 602 2HH2 ARG 75 HH22 ARG 75 41.106 -4.963 8.969 603 H LYS 76 HN LYS 76 42.919 -12.231 9.584 604 HA LYS 76 HA LYS 76 40.849 -14.169 9.260 605 1HB LYS 76 HB2 LYS 76 42.267 -16.016 8.285 606 2HB LYS 76 HB1 LYS 76 41.880 -14.728 7.143 607 1HG LYS 76 HG2 LYS 76 44.053 -13.736 7.396 608 2HG LYS 76 HG1 LYS 76 44.438 -14.784 8.762 609 1HD LYS 76 HD2 LYS 76 43.854 -15.819 5.976 610 2HD LYS 76 HD1 LYS 76 45.482 -15.502 6.576 611 1HE LYS 76 HE2 LYS 76 45.509 -17.411 7.782 612 2HE LYS 76 HE1 LYS 76 43.912 -17.088 8.458 613 1HZ LYS 76 HZ1 LYS 76 43.657 -19.011 7.182 614 2HZ LYS 76 HZ2 LYS 76 44.588 -18.404 5.897 615 3HZ LYS 76 HZ3 LYS 76 43.039 -17.776 6.198 616 H ASN 77 HN ASN 77 44.206 -13.545 10.195 617 HA ASN 77 HA ASN 77 43.707 -14.491 12.889 618 1HB ASN 77 HB2 ASN 77 44.773 -16.359 10.902 619 2HB ASN 77 HB1 ASN 77 45.838 -16.171 12.296 620 1HD2 ASN 77 HD21 ASN 77 44.897 -16.645 14.462 621 2HD2 ASN 77 HD22 ASN 77 43.536 -17.651 14.592 Start of MODEL 30 1 1H MET 1 HT1 MET 1 42.311 -8.498 -25.395 2 2H MET 1 HT2 MET 1 42.682 -7.180 -26.400 3 3H MET 1 HT3 MET 1 43.889 -7.877 -25.429 4 HA MET 1 HA MET 1 43.201 -10.024 -26.784 5 1HB MET 1 HB2 MET 1 42.473 -7.624 -28.465 6 2HB MET 1 HB1 MET 1 42.962 -9.149 -29.203 7 1HG MET 1 HG2 MET 1 41.033 -9.653 -27.118 8 2HG MET 1 HG1 MET 1 40.392 -8.460 -28.248 9 1HE MET 1 HE1 MET 1 38.992 -11.302 -27.933 10 2HE MET 1 HE2 MET 1 38.610 -11.484 -29.643 11 3HE MET 1 HE3 MET 1 38.540 -9.890 -28.897 12 H ASP 2 HN ASP 2 44.711 -6.872 -27.546 13 HA ASP 2 HA ASP 2 47.305 -8.323 -27.809 14 1HB ASP 2 HB2 ASP 2 47.887 -6.819 -29.713 15 2HB ASP 2 HB1 ASP 2 46.521 -7.873 -30.082 16 H ARG 3 HN ARG 3 48.008 -7.552 -25.781 17 HA ARG 3 HA ARG 3 47.757 -4.783 -24.988 18 1HB ARG 3 HB2 ARG 3 49.548 -7.021 -24.002 19 2HB ARG 3 HB1 ARG 3 49.459 -5.431 -23.243 20 1HG ARG 3 HG2 ARG 3 47.239 -5.743 -22.548 21 2HG ARG 3 HG1 ARG 3 46.949 -7.017 -23.733 22 1HD ARG 3 HD2 ARG 3 48.777 -8.335 -22.441 23 2HD ARG 3 HD1 ARG 3 48.489 -7.172 -21.148 24 HE ARG 3 HE ARG 3 46.288 -8.089 -20.859 25 1HH1 ARG 3 HH21 ARG 3 48.281 -10.405 -21.891 26 2HH1 ARG 3 HH22 ARG 3 47.126 -11.339 -22.782 27 1HH2 ARG 3 HH11 ARG 3 44.678 -8.885 -22.696 28 2HH2 ARG 3 HH12 ARG 3 45.086 -10.478 -23.238 29 H PHE 4 HN PHE 4 49.548 -3.248 -24.801 30 HA PHE 4 HA PHE 4 51.559 -3.637 -26.974 31 1HB PHE 4 HB2 PHE 4 50.596 -1.072 -25.670 32 2HB PHE 4 HB1 PHE 4 51.726 -1.184 -27.020 33 HD1 PHE 4 HD1 PHE 4 48.795 0.090 -26.746 34 HD2 PHE 4 HD2 PHE 4 50.397 -3.503 -28.472 35 HE1 PHE 4 HE1 PHE 4 46.892 0.004 -28.334 36 HE2 PHE 4 HE2 PHE 4 48.494 -3.588 -30.060 37 HZ PHE 4 HZ PHE 4 46.741 -1.835 -29.991 38 H HIS 5 HN HIS 5 51.560 -1.501 -24.119 39 HA HIS 5 HA HIS 5 53.802 -2.989 -22.929 40 1HB HIS 5 HB2 HIS 5 54.217 -0.663 -24.616 41 2HB HIS 5 HB1 HIS 5 54.779 -0.356 -22.972 42 HD1 HIS 5 HD1 HIS 5 55.706 -3.237 -22.256 43 HD2 HIS 5 HD2 HIS 5 56.661 -1.294 -25.819 44 HE1 HIS 5 HE1 HIS 5 57.802 -4.350 -23.139 45 H ALA 6 HN ALA 6 54.239 -2.268 -20.743 46 HA ALA 6 HA ALA 6 52.484 -0.148 -19.653 47 1HB ALA 6 HB1 ALA 6 52.173 -2.147 -17.764 48 2HB ALA 6 HB2 ALA 6 52.046 -3.027 -19.288 49 3HB ALA 6 HB3 ALA 6 50.962 -1.676 -18.956 50 H THR 7 HN THR 7 52.961 -0.181 -17.075 51 HA THR 7 HA THR 7 55.913 0.002 -16.890 52 HB THR 7 HB THR 7 54.431 1.898 -16.138 53 HG1 THR 7 HG1 THR 7 55.808 0.797 -13.941 54 1HG2 THR 7 HG21 THR 7 52.612 0.532 -15.204 55 2HG2 THR 7 HG22 THR 7 53.261 1.623 -13.979 56 3HG2 THR 7 HG23 THR 7 53.703 -0.084 -13.963 57 H SER 8 HN SER 8 54.484 -2.611 -16.873 58 HA SER 8 HA SER 8 54.659 -3.557 -14.102 59 1HB SER 8 HB2 SER 8 54.528 -5.449 -16.410 60 2HB SER 8 HB1 SER 8 53.684 -5.507 -14.866 61 HG SER 8 HG SER 8 52.086 -4.669 -15.939 62 H ALA 9 HN ALA 9 56.981 -2.718 -16.224 63 HA ALA 9 HA ALA 9 58.731 -5.065 -15.742 64 1HB ALA 9 HB1 ALA 9 59.378 -2.535 -17.278 65 2HB ALA 9 HB2 ALA 9 58.600 -3.938 -18.011 66 3HB ALA 9 HB3 ALA 9 60.229 -4.078 -17.349 67 H ASP 10 HN ASP 10 58.442 -4.242 -13.338 68 HA ASP 10 HA ASP 10 60.912 -2.741 -12.708 69 1HB ASP 10 HB2 ASP 10 58.888 -1.140 -12.850 70 2HB ASP 10 HB1 ASP 10 58.321 -1.938 -11.382 71 H CYS 11 HN CYS 11 59.829 -5.525 -12.406 72 HA CYS 11 HA CYS 11 59.315 -5.874 -9.556 73 1HB CYS 11 HB2 CYS 11 60.159 -8.006 -11.531 74 2HB CYS 11 HB1 CYS 11 59.250 -8.221 -10.035 75 H CYS 12 HN CYS 12 60.781 -6.883 -8.053 76 HA CYS 12 HA CYS 12 63.634 -6.359 -8.720 77 1HB CYS 12 HB2 CYS 12 62.042 -6.483 -6.186 78 2HB CYS 12 HB1 CYS 12 63.763 -6.862 -6.114 79 H ILE 13 HN ILE 13 64.421 -8.200 -9.709 80 HA ILE 13 HA ILE 13 63.707 -10.850 -8.595 81 HB ILE 13 HB ILE 13 63.716 -10.531 -11.055 82 1HG1 ILE 13 HG12 ILE 13 65.993 -12.306 -10.964 83 2HG1 ILE 13 HG11 ILE 13 64.956 -12.595 -9.567 84 1HG2 ILE 13 HG21 ILE 13 66.689 -10.072 -10.657 85 2HG2 ILE 13 HG22 ILE 13 65.521 -8.836 -11.127 86 3HG2 ILE 13 HG23 ILE 13 65.862 -10.185 -12.211 87 1HD1 ILE 13 HD11 ILE 13 63.734 -12.300 -12.297 88 2HD1 ILE 13 HD12 ILE 13 63.108 -13.154 -10.887 89 3HD1 ILE 13 HD13 ILE 13 64.442 -13.842 -11.814 90 H SER 14 HN SER 14 65.835 -8.558 -7.722 91 HA SER 14 HA SER 14 67.664 -10.546 -6.546 92 1HB SER 14 HB2 SER 14 68.551 -8.441 -8.524 93 2HB SER 14 HB1 SER 14 69.659 -9.141 -7.347 94 HG SER 14 HG SER 14 69.612 -10.246 -9.391 95 H TYR 15 HN TYR 15 68.420 -9.836 -4.564 96 HA TYR 15 HA TYR 15 67.715 -7.025 -3.820 97 1HB TYR 15 HB2 TYR 15 67.979 -9.420 -1.978 98 2HB TYR 15 HB1 TYR 15 67.399 -7.812 -1.543 99 HD1 TYR 15 HD1 TYR 15 66.475 -11.053 -2.756 100 HD2 TYR 15 HD2 TYR 15 65.323 -6.916 -2.802 101 HE1 TYR 15 HE1 TYR 15 64.175 -11.701 -3.423 102 HE2 TYR 15 HE2 TYR 15 63.024 -7.563 -3.469 103 HH TYR 15 HH TYR 15 62.133 -10.991 -3.900 104 H THR 16 HN THR 16 69.324 -5.770 -2.889 105 HA THR 16 HA THR 16 72.056 -6.519 -3.300 106 HB THR 16 HB THR 16 71.320 -4.168 -3.249 107 HG1 THR 16 HG1 THR 16 73.480 -4.989 -2.442 108 1HG2 THR 16 HG21 THR 16 69.780 -4.856 -1.149 109 2HG2 THR 16 HG22 THR 16 70.276 -3.192 -1.457 110 3HG2 THR 16 HG23 THR 16 71.153 -4.170 -0.281 111 HA PRO 17 HA PRO 17 72.410 -8.895 0.467 112 1HB PRO 17 HB2 PRO 17 74.999 -9.699 0.010 113 2HB PRO 17 HB1 PRO 17 73.591 -10.453 -0.757 114 1HG PRO 17 HG2 PRO 17 75.602 -8.596 -1.939 115 2HG PRO 17 HG1 PRO 17 74.603 -9.823 -2.736 116 1HD PRO 17 HD2 PRO 17 74.120 -7.032 -2.736 117 2HD PRO 17 HD1 PRO 17 72.975 -8.292 -3.244 118 H ARG 18 HN ARG 18 72.540 -6.235 1.005 119 HA ARG 18 HA ARG 18 74.713 -6.079 2.955 120 1HB ARG 18 HB2 ARG 18 74.627 -4.210 0.571 121 2HB ARG 18 HB1 ARG 18 75.546 -3.873 2.038 122 1HG ARG 18 HG2 ARG 18 76.585 -6.224 1.670 123 2HG ARG 18 HG1 ARG 18 75.962 -6.078 0.026 124 1HD ARG 18 HD2 ARG 18 77.556 -4.582 -0.555 125 2HD ARG 18 HD1 ARG 18 77.340 -3.657 0.931 126 HE ARG 18 HE ARG 18 79.398 -5.627 0.465 127 1HH1 ARG 18 HH11 ARG 18 77.393 -4.046 2.776 128 2HH1 ARG 18 HH12 ARG 18 78.320 -4.573 4.140 129 1HH2 ARG 18 HH21 ARG 18 80.543 -6.442 2.246 130 2HH2 ARG 18 HH22 ARG 18 80.102 -5.929 3.841 131 H SER 19 HN SER 19 73.936 -4.980 4.703 132 HA SER 19 HA SER 19 71.315 -3.662 4.469 133 1HB SER 19 HB2 SER 19 73.106 -4.070 6.883 134 2HB SER 19 HB1 SER 19 71.440 -3.499 6.924 135 HG SER 19 HG SER 19 72.437 -6.030 6.642 136 H ILE 20 HN ILE 20 71.600 -1.676 3.452 137 HA ILE 20 HA ILE 20 73.767 0.112 4.369 138 HB ILE 20 HB ILE 20 71.639 0.438 2.232 139 1HG1 ILE 20 HG12 ILE 20 74.455 0.421 1.444 140 2HG1 ILE 20 HG11 ILE 20 73.979 -1.077 2.246 141 1HG2 ILE 20 HG21 ILE 20 72.566 2.558 3.404 142 2HG2 ILE 20 HG22 ILE 20 72.636 2.495 1.643 143 3HG2 ILE 20 HG23 ILE 20 74.084 2.167 2.596 144 1HD1 ILE 20 HD11 ILE 20 71.992 -1.186 0.706 145 2HD1 ILE 20 HD12 ILE 20 73.542 -1.330 -0.122 146 3HD1 ILE 20 HD13 ILE 20 72.657 0.195 -0.165 147 HA PRO 21 HA PRO 21 71.062 2.203 7.161 148 1HB PRO 21 HB2 PRO 21 72.655 4.403 7.587 149 2HB PRO 21 HB1 PRO 21 72.960 2.817 8.316 150 1HG PRO 21 HG2 PRO 21 74.387 4.153 6.064 151 2HG PRO 21 HG1 PRO 21 74.984 2.940 7.208 152 1HD PRO 21 HD2 PRO 21 74.182 2.447 4.539 153 2HD PRO 21 HD1 PRO 21 74.464 1.217 5.789 154 H CYS 22 HN CYS 22 69.520 3.890 7.064 155 HA CYS 22 HA CYS 22 68.768 4.933 4.558 156 1HB CYS 22 HB2 CYS 22 68.079 5.498 7.386 157 2HB CYS 22 HB1 CYS 22 67.725 6.791 6.242 158 H SER 23 HN SER 23 71.188 6.050 6.792 159 HA SER 23 HA SER 23 71.402 8.774 6.149 160 1HB SER 23 HB2 SER 23 73.462 6.682 6.825 161 2HB SER 23 HB1 SER 23 73.950 8.332 6.451 162 HG SER 23 HG SER 23 73.594 8.196 8.645 163 H LEU 24 HN LEU 24 72.013 6.007 4.151 164 HA LEU 24 HA LEU 24 73.280 7.769 2.095 165 1HB LEU 24 HB2 LEU 24 74.156 5.345 3.038 166 2HB LEU 24 HB1 LEU 24 73.242 4.860 1.609 167 HG LEU 24 HG LEU 24 74.630 7.064 0.701 168 1HD1 LEU 24 HD11 LEU 24 76.035 7.282 2.621 169 2HD1 LEU 24 HD12 LEU 24 77.019 6.476 1.400 170 3HD1 LEU 24 HD13 LEU 24 76.301 5.541 2.712 171 1HD2 LEU 24 HD21 LEU 24 75.983 4.416 0.505 172 2HD2 LEU 24 HD22 LEU 24 75.526 5.541 -0.774 173 3HD2 LEU 24 HD23 LEU 24 74.309 4.494 -0.044 174 H LEU 25 HN LEU 25 70.310 7.118 2.872 175 HA LEU 25 HA LEU 25 69.455 6.524 0.068 176 1HB LEU 25 HB2 LEU 25 67.932 5.812 2.587 177 2HB LEU 25 HB1 LEU 25 67.529 5.344 0.935 178 HG LEU 25 HG LEU 25 70.077 4.542 2.369 179 1HD1 LEU 25 HD11 LEU 25 68.915 2.240 2.243 180 2HD1 LEU 25 HD12 LEU 25 67.426 3.149 1.979 181 3HD1 LEU 25 HD13 LEU 25 68.340 3.366 3.472 182 1HD2 LEU 25 HD21 LEU 25 69.720 4.711 -0.294 183 2HD2 LEU 25 HD22 LEU 25 68.996 3.126 -0.023 184 3HD2 LEU 25 HD23 LEU 25 70.671 3.422 0.445 185 H GLU 26 HN GLU 26 67.798 7.841 -0.747 186 HA GLU 26 HA GLU 26 67.187 10.244 0.904 187 1HB GLU 26 HB2 GLU 26 68.113 10.180 -1.608 188 2HB GLU 26 HB1 GLU 26 66.391 10.055 -1.969 189 1HG GLU 26 HG2 GLU 26 67.139 12.096 0.050 190 2HG GLU 26 HG1 GLU 26 67.658 12.424 -1.603 191 H SER 27 HN SER 27 65.634 7.687 -1.009 192 HA SER 27 HA SER 27 63.186 8.028 0.603 193 1HB SER 27 HB2 SER 27 62.284 7.763 -2.081 194 2HB SER 27 HB1 SER 27 62.018 9.114 -0.982 195 HG SER 27 HG SER 27 64.356 8.728 -2.549 196 H TYR 28 HN TYR 28 61.501 6.293 -0.549 197 HA TYR 28 HA TYR 28 62.872 3.930 -1.580 198 1HB TYR 28 HB2 TYR 28 62.589 2.484 0.288 199 2HB TYR 28 HB1 TYR 28 63.295 3.956 0.954 200 HD1 TYR 28 HD1 TYR 28 60.904 1.570 1.599 201 HD2 TYR 28 HD2 TYR 28 61.303 5.842 1.395 202 HE1 TYR 28 HE1 TYR 28 58.949 1.824 3.102 203 HE2 TYR 28 HE2 TYR 28 59.348 6.096 2.899 204 HH TYR 28 HH TYR 28 57.360 3.359 3.806 205 H PHE 29 HN PHE 29 61.276 2.119 -1.909 206 HA PHE 29 HA PHE 29 58.450 2.596 -1.577 207 1HB PHE 29 HB2 PHE 29 58.192 2.592 -4.235 208 2HB PHE 29 HB1 PHE 29 58.353 4.096 -3.332 209 HD1 PHE 29 HD1 PHE 29 60.229 5.520 -3.638 210 HD2 PHE 29 HD2 PHE 29 60.271 1.538 -5.247 211 HE1 PHE 29 HE1 PHE 29 62.311 6.044 -4.880 212 HE2 PHE 29 HE2 PHE 29 62.353 2.062 -6.489 213 HZ PHE 29 HZ PHE 29 63.373 4.315 -6.306 214 H GLU 30 HN GLU 30 57.176 0.847 -2.709 215 HA GLU 30 HA GLU 30 58.847 -1.614 -2.860 216 1HB GLU 30 HB2 GLU 30 55.853 -1.269 -2.511 217 2HB GLU 30 HB1 GLU 30 56.700 -2.816 -2.535 218 1HG GLU 30 HG2 GLU 30 58.167 -1.675 -0.648 219 2HG GLU 30 HG1 GLU 30 56.730 -0.673 -0.442 220 H THR 31 HN THR 31 58.576 -3.075 -4.633 221 HA THR 31 HA THR 31 58.243 -1.858 -7.191 222 HB THR 31 HB THR 31 58.435 -4.092 -8.098 223 HG1 THR 31 HG1 THR 31 57.692 -4.857 -5.478 224 1HG2 THR 31 HG21 THR 31 60.071 -3.337 -5.732 225 2HG2 THR 31 HG22 THR 31 60.569 -3.631 -7.398 226 3HG2 THR 31 HG23 THR 31 60.247 -4.990 -6.321 227 H ASN 32 HN ASN 32 56.586 -3.277 -8.757 228 HA ASN 32 HA ASN 32 53.975 -2.277 -8.054 229 1HB ASN 32 HB2 ASN 32 55.087 -3.983 -10.259 230 2HB ASN 32 HB1 ASN 32 53.339 -3.889 -10.047 231 1HD2 ASN 32 HD21 ASN 32 55.995 -2.318 -11.488 232 2HD2 ASN 32 HD22 ASN 32 55.251 -0.826 -11.802 233 H SER 33 HN SER 33 52.149 -3.427 -7.329 234 HA SER 33 HA SER 33 52.673 -5.722 -5.652 235 1HB SER 33 HB2 SER 33 49.908 -4.951 -6.538 236 2HB SER 33 HB1 SER 33 50.448 -5.530 -4.964 237 HG SER 33 HG SER 33 50.715 -2.981 -6.139 238 H GLU 34 HN GLU 34 52.181 -5.420 -8.978 239 HA GLU 34 HA GLU 34 50.830 -8.022 -9.296 240 1HB GLU 34 HB2 GLU 34 51.770 -5.865 -11.175 241 2HB GLU 34 HB1 GLU 34 51.361 -7.466 -11.793 242 1HG GLU 34 HG2 GLU 34 49.223 -6.996 -10.172 243 2HG GLU 34 HG1 GLU 34 49.594 -5.356 -10.707 244 H CYS 35 HN CYS 35 53.978 -6.965 -8.771 245 HA CYS 35 HA CYS 35 55.338 -8.893 -10.493 246 1HB CYS 35 HB2 CYS 35 56.262 -7.149 -8.197 247 2HB CYS 35 HB1 CYS 35 57.339 -8.249 -9.057 248 H SER 36 HN SER 36 55.495 -11.032 -10.034 249 HA SER 36 HA SER 36 54.432 -12.252 -7.715 250 1HB SER 36 HB2 SER 36 54.746 -13.734 -9.495 251 2HB SER 36 HB1 SER 36 56.368 -13.138 -9.835 252 HG SER 36 HG SER 36 56.501 -15.130 -8.801 253 H LYS 37 HN LYS 37 57.516 -10.738 -8.252 254 HA LYS 37 HA LYS 37 58.372 -11.642 -5.531 255 1HB LYS 37 HB2 LYS 37 60.058 -10.969 -7.960 256 2HB LYS 37 HB1 LYS 37 60.716 -11.250 -6.347 257 1HG LYS 37 HG2 LYS 37 59.129 -13.223 -8.015 258 2HG LYS 37 HG1 LYS 37 60.846 -13.322 -7.621 259 1HD LYS 37 HD2 LYS 37 58.520 -13.504 -5.688 260 2HD LYS 37 HD1 LYS 37 59.659 -14.784 -6.104 261 1HE LYS 37 HE2 LYS 37 61.375 -12.824 -5.301 262 2HE LYS 37 HE1 LYS 37 59.989 -12.494 -4.262 263 1HZ LYS 37 HZ1 LYS 37 60.185 -15.179 -4.146 264 2HZ LYS 37 HZ2 LYS 37 60.832 -14.109 -2.996 265 3HZ LYS 37 HZ3 LYS 37 61.815 -14.722 -4.239 266 HA PRO 38 HA PRO 38 57.811 -7.117 -5.306 267 1HB PRO 38 HB2 PRO 38 56.721 -7.188 -2.782 268 2HB PRO 38 HB1 PRO 38 55.770 -7.371 -4.266 269 1HG PRO 38 HG2 PRO 38 56.582 -9.452 -2.290 270 2HG PRO 38 HG1 PRO 38 55.184 -9.423 -3.378 271 1HD PRO 38 HD2 PRO 38 57.565 -10.898 -3.782 272 2HD PRO 38 HD1 PRO 38 56.309 -10.589 -5.000 273 H GLY 39 HN GLY 39 58.724 -5.604 -3.579 274 1HA GLY 39 HA2 GLY 39 60.374 -6.476 -1.471 275 2HA GLY 39 HA1 GLY 39 61.377 -6.300 -2.907 276 H VAL 40 HN VAL 40 62.067 -4.631 -0.946 277 HA VAL 40 HA VAL 40 60.663 -2.052 -1.473 278 HB VAL 40 HB VAL 40 62.780 -2.381 0.628 279 1HG1 VAL 40 HG11 VAL 40 62.061 -0.236 0.843 280 2HG1 VAL 40 HG12 VAL 40 60.665 -0.952 1.650 281 3HG1 VAL 40 HG13 VAL 40 60.581 -0.547 -0.065 282 1HG2 VAL 40 HG21 VAL 40 60.086 -3.667 0.562 283 2HG2 VAL 40 HG22 VAL 40 60.591 -2.923 2.079 284 3HG2 VAL 40 HG23 VAL 40 61.566 -4.203 1.358 285 H ILE 41 HN ILE 41 61.686 -0.539 -2.701 286 HA ILE 41 HA ILE 41 64.586 -0.978 -3.291 287 HB ILE 41 HB ILE 41 62.607 0.571 -4.980 288 1HG1 ILE 41 HG12 ILE 41 63.508 -2.075 -5.920 289 2HG1 ILE 41 HG11 ILE 41 62.449 -2.134 -4.510 290 1HG2 ILE 41 HG21 ILE 41 64.507 -0.316 -6.663 291 2HG2 ILE 41 HG22 ILE 41 65.464 -0.253 -5.183 292 3HG2 ILE 41 HG23 ILE 41 64.668 1.203 -5.782 293 1HD1 ILE 41 HD11 ILE 41 61.505 -0.209 -6.482 294 2HD1 ILE 41 HD12 ILE 41 60.645 -1.555 -5.734 295 3HD1 ILE 41 HD13 ILE 41 61.639 -1.830 -7.165 296 H PHE 42 HN PHE 42 65.907 0.524 -2.401 297 HA PHE 42 HA PHE 42 64.718 3.119 -1.551 298 1HB PHE 42 HB2 PHE 42 67.304 1.736 -0.779 299 2HB PHE 42 HB1 PHE 42 66.825 3.332 -0.202 300 HD1 PHE 42 HD1 PHE 42 65.480 3.532 1.708 301 HD2 PHE 42 HD2 PHE 42 65.592 -0.199 -0.417 302 HE1 PHE 42 HE1 PHE 42 64.102 2.480 3.482 303 HE2 PHE 42 HE2 PHE 42 64.214 -1.250 1.356 304 HZ PHE 42 HZ PHE 42 63.469 0.089 3.306 305 H LEU 43 HN LEU 43 65.437 5.040 -2.429 306 HA LEU 43 HA LEU 43 67.360 4.806 -4.691 307 1HB LEU 43 HB2 LEU 43 65.022 5.822 -4.985 308 2HB LEU 43 HB1 LEU 43 65.616 7.188 -4.039 309 HG LEU 43 HG LEU 43 67.385 6.313 -6.247 310 1HD1 LEU 43 HD11 LEU 43 64.552 6.999 -6.669 311 2HD1 LEU 43 HD12 LEU 43 65.700 6.235 -7.768 312 3HD1 LEU 43 HD13 LEU 43 65.675 7.991 -7.598 313 1HD2 LEU 43 HD21 LEU 43 67.912 8.593 -6.318 314 2HD2 LEU 43 HD22 LEU 43 67.492 8.374 -4.619 315 3HD2 LEU 43 HD23 LEU 43 66.321 9.079 -5.734 316 H THR 44 HN THR 44 69.391 5.587 -4.406 317 HA THR 44 HA THR 44 70.044 7.047 -1.943 318 HB THR 44 HB THR 44 72.324 6.707 -2.545 319 HG1 THR 44 HG1 THR 44 72.972 6.628 -4.559 320 1HG2 THR 44 HG21 THR 44 71.971 4.535 -2.059 321 2HG2 THR 44 HG22 THR 44 71.889 4.249 -3.797 322 3HG2 THR 44 HG23 THR 44 70.411 4.540 -2.880 323 H LYS 45 HN LYS 45 71.614 9.009 -2.274 324 HA LYS 45 HA LYS 45 70.153 10.993 -3.838 325 1HB LYS 45 HB2 LYS 45 71.272 11.419 -1.592 326 2HB LYS 45 HB1 LYS 45 72.816 11.358 -2.444 327 1HG LYS 45 HG2 LYS 45 72.550 13.508 -3.042 328 2HG LYS 45 HG1 LYS 45 71.100 13.061 -3.942 329 1HD LYS 45 HD2 LYS 45 69.707 13.385 -1.995 330 2HD LYS 45 HD1 LYS 45 71.119 13.612 -0.963 331 1HE LYS 45 HE2 LYS 45 71.724 15.641 -2.238 332 2HE LYS 45 HE1 LYS 45 70.301 15.421 -3.256 333 1HZ LYS 45 HZ1 LYS 45 69.614 15.328 -0.503 334 2HZ LYS 45 HZ2 LYS 45 69.025 16.352 -1.723 335 3HZ LYS 45 HZ3 LYS 45 70.428 16.771 -0.863 336 H LYS 46 HN LYS 46 72.261 8.685 -4.793 337 HA LYS 46 HA LYS 46 73.683 10.443 -6.735 338 1HB LYS 46 HB2 LYS 46 74.338 7.944 -5.353 339 2HB LYS 46 HB1 LYS 46 74.640 7.860 -7.089 340 1HG LYS 46 HG2 LYS 46 76.608 8.711 -5.800 341 2HG LYS 46 HG1 LYS 46 76.016 9.867 -6.993 342 1HD LYS 46 HD2 LYS 46 75.059 11.255 -5.371 343 2HD LYS 46 HD1 LYS 46 74.969 9.960 -4.177 344 1HE LYS 46 HE2 LYS 46 77.463 9.953 -4.055 345 2HE LYS 46 HE1 LYS 46 77.490 11.331 -5.155 346 1HZ LYS 46 HZ1 LYS 46 77.590 11.856 -2.710 347 2HZ LYS 46 HZ2 LYS 46 75.970 11.352 -2.614 348 3HZ LYS 46 HZ3 LYS 46 76.395 12.674 -3.593 349 H GLY 47 HN GLY 47 70.813 9.615 -6.896 350 1HA GLY 47 HA2 GLY 47 69.318 8.889 -8.537 351 2HA GLY 47 HA1 GLY 47 70.654 9.100 -9.666 352 H ARG 48 HN ARG 48 70.574 6.900 -6.897 353 HA ARG 48 HA ARG 48 70.609 4.615 -8.828 354 1HB ARG 48 HB2 ARG 48 72.837 5.305 -7.595 355 2HB ARG 48 HB1 ARG 48 72.097 4.477 -6.225 356 1HG ARG 48 HG2 ARG 48 71.659 2.541 -7.885 357 2HG ARG 48 HG1 ARG 48 72.839 3.345 -8.921 358 1HD ARG 48 HD2 ARG 48 73.369 2.568 -6.040 359 2HD ARG 48 HD1 ARG 48 73.844 1.590 -7.429 360 HE ARG 48 HE ARG 48 74.808 4.348 -7.556 361 1HH1 ARG 48 HH11 ARG 48 75.304 1.368 -5.938 362 2HH1 ARG 48 HH12 ARG 48 77.031 1.424 -6.061 363 1HH2 ARG 48 HH21 ARG 48 77.066 4.334 -7.947 364 2HH2 ARG 48 HH22 ARG 48 78.029 3.103 -7.199 365 H ARG 49 HN ARG 49 69.751 2.599 -7.930 366 HA ARG 49 HA ARG 49 68.269 2.827 -5.376 367 1HB ARG 49 HB2 ARG 49 66.215 1.871 -6.601 368 2HB ARG 49 HB1 ARG 49 66.558 3.584 -6.841 369 1HG ARG 49 HG2 ARG 49 67.916 2.845 -8.900 370 2HG ARG 49 HG1 ARG 49 67.106 1.288 -8.725 371 1HD ARG 49 HD2 ARG 49 64.907 2.461 -8.813 372 2HD ARG 49 HD1 ARG 49 65.759 3.980 -9.096 373 HE ARG 49 HE ARG 49 66.737 2.571 -11.141 374 1HH1 ARG 49 HH11 ARG 49 64.030 1.098 -9.993 375 2HH1 ARG 49 HH12 ARG 49 63.042 1.356 -11.393 376 1HH2 ARG 49 HH21 ARG 49 65.266 3.558 -12.885 377 2HH2 ARG 49 HH22 ARG 49 63.742 2.748 -13.030 378 H PHE 50 HN PHE 50 67.965 0.808 -4.393 379 HA PHE 50 HA PHE 50 68.806 -1.587 -5.962 380 1HB PHE 50 HB2 PHE 50 70.046 -2.384 -3.933 381 2HB PHE 50 HB1 PHE 50 70.751 -0.937 -4.655 382 HD1 PHE 50 HD1 PHE 50 71.045 1.014 -3.373 383 HD2 PHE 50 HD2 PHE 50 68.365 -2.048 -1.998 384 HE1 PHE 50 HE1 PHE 50 70.763 2.225 -1.227 385 HE2 PHE 50 HE2 PHE 50 68.083 -0.838 0.148 386 HZ PHE 50 HZ PHE 50 69.282 1.299 0.534 387 H CYS 51 HN CYS 51 67.771 -3.530 -5.308 388 HA CYS 51 HA CYS 51 65.204 -3.159 -3.997 389 1HB CYS 51 HB2 CYS 51 66.593 -5.704 -4.884 390 2HB CYS 51 HB1 CYS 51 64.888 -5.533 -4.485 391 H ALA 52 HN ALA 52 64.531 -4.403 -2.091 392 HA ALA 52 HA ALA 52 66.697 -5.462 -0.377 393 1HB ALA 52 HB1 ALA 52 66.789 -3.269 0.450 394 2HB ALA 52 HB2 ALA 52 65.629 -4.031 1.539 395 3HB ALA 52 HB3 ALA 52 65.060 -3.007 0.220 396 H ASN 53 HN ASN 53 65.697 -6.471 1.649 397 HA ASN 53 HA ASN 53 63.297 -7.954 0.832 398 1HB ASN 53 HB2 ASN 53 65.307 -8.999 1.991 399 2HB ASN 53 HB1 ASN 53 64.787 -8.166 3.457 400 1HD2 ASN 53 HD21 ASN 53 63.774 -10.626 1.070 401 2HD2 ASN 53 HD22 ASN 53 62.615 -11.355 2.073 402 HA PRO 54 HA PRO 54 60.613 -5.243 3.079 403 1HB PRO 54 HB2 PRO 54 58.362 -6.817 2.898 404 2HB PRO 54 HB1 PRO 54 58.969 -5.814 1.569 405 1HG PRO 54 HG2 PRO 54 59.138 -8.774 1.918 406 2HG PRO 54 HG1 PRO 54 59.104 -7.820 0.426 407 1HD PRO 54 HD2 PRO 54 61.407 -8.964 1.582 408 2HD PRO 54 HD1 PRO 54 61.395 -7.700 0.333 409 H SER 55 HN SER 55 61.400 -8.487 3.970 410 HA SER 55 HA SER 55 60.052 -8.208 6.605 411 1HB SER 55 HB2 SER 55 61.622 -10.591 5.605 412 2HB SER 55 HB1 SER 55 60.429 -10.547 6.901 413 HG SER 55 HG SER 55 58.831 -10.332 5.428 414 H ASP 56 HN ASP 56 62.802 -7.095 5.344 415 HA ASP 56 HA ASP 56 64.774 -8.070 7.244 416 1HB ASP 56 HB2 ASP 56 65.264 -7.060 4.957 417 2HB ASP 56 HB1 ASP 56 64.891 -5.489 5.667 418 H LYS 57 HN LYS 57 65.215 -7.272 9.264 419 HA LYS 57 HA LYS 57 63.365 -5.505 10.550 420 1HB LYS 57 HB2 LYS 57 64.407 -6.932 12.059 421 2HB LYS 57 HB1 LYS 57 65.970 -6.807 11.259 422 1HG LYS 57 HG2 LYS 57 66.084 -5.649 13.394 423 2HG LYS 57 HG1 LYS 57 66.156 -4.462 12.092 424 1HD LYS 57 HD2 LYS 57 63.841 -3.876 12.389 425 2HD LYS 57 HD1 LYS 57 63.584 -5.227 13.494 426 1HE LYS 57 HE2 LYS 57 65.759 -3.725 14.529 427 2HE LYS 57 HE1 LYS 57 64.497 -2.570 14.101 428 1HZ LYS 57 HZ1 LYS 57 63.868 -5.037 15.595 429 2HZ LYS 57 HZ2 LYS 57 62.972 -3.596 15.494 430 3HZ LYS 57 HZ3 LYS 57 64.410 -3.645 16.398 431 H GLN 58 HN GLN 58 66.469 -5.020 8.953 432 HA GLN 58 HA GLN 58 66.877 -2.320 9.894 433 1HB GLN 58 HB2 GLN 58 67.983 -3.958 7.620 434 2HB GLN 58 HB1 GLN 58 68.358 -2.239 7.750 435 1HG GLN 58 HG2 GLN 58 68.649 -3.654 10.297 436 2HG GLN 58 HG1 GLN 58 69.717 -4.282 9.041 437 1HE2 GLN 58 HE21 GLN 58 71.013 -2.989 11.083 438 2HE2 GLN 58 HE22 GLN 58 71.531 -1.446 10.599 439 H VAL 59 HN VAL 59 64.974 -3.745 7.335 440 HA VAL 59 HA VAL 59 64.622 -1.271 5.845 441 HB VAL 59 HB VAL 59 63.169 -3.926 5.840 442 1HG1 VAL 59 HG11 VAL 59 62.633 -1.405 4.250 443 2HG1 VAL 59 HG12 VAL 59 61.494 -2.317 5.241 444 3HG1 VAL 59 HG13 VAL 59 62.088 -2.999 3.727 445 1HG2 VAL 59 HG21 VAL 59 65.429 -3.887 4.858 446 2HG2 VAL 59 HG22 VAL 59 64.972 -2.520 3.842 447 3HG2 VAL 59 HG23 VAL 59 64.213 -4.093 3.597 448 H GLN 60 HN GLN 60 62.722 -3.053 8.274 449 HA GLN 60 HA GLN 60 60.466 -1.289 8.251 450 1HB GLN 60 HB2 GLN 60 60.045 -2.230 10.555 451 2HB GLN 60 HB1 GLN 60 60.273 -3.457 9.308 452 1HG GLN 60 HG2 GLN 60 62.568 -3.813 9.987 453 2HG GLN 60 HG1 GLN 60 62.494 -2.453 11.108 454 1HE2 GLN 60 HE21 GLN 60 61.809 -2.913 13.222 455 2HE2 GLN 60 HE22 GLN 60 61.105 -4.380 13.704 456 H VAL 61 HN VAL 61 63.558 -1.201 9.963 457 HA VAL 61 HA VAL 61 62.825 1.001 11.699 458 HB VAL 61 HB VAL 61 65.508 -0.108 10.832 459 1HG1 VAL 61 HG11 VAL 61 64.782 2.320 12.351 460 2HG1 VAL 61 HG12 VAL 61 66.288 1.916 11.528 461 3HG1 VAL 61 HG13 VAL 61 65.969 1.282 13.142 462 1HG2 VAL 61 HG21 VAL 61 63.901 -0.304 13.400 463 2HG2 VAL 61 HG22 VAL 61 65.518 -0.970 13.166 464 3HG2 VAL 61 HG23 VAL 61 64.160 -1.604 12.236 465 H CYS 62 HN CYS 62 64.351 0.735 8.513 466 HA CYS 62 HA CYS 62 65.097 3.504 8.296 467 1HB CYS 62 HB2 CYS 62 65.156 1.155 6.632 468 2HB CYS 62 HB1 CYS 62 64.492 2.504 5.710 469 H MET 63 HN MET 63 62.110 1.747 7.691 470 HA MET 63 HA MET 63 60.744 3.672 6.122 471 1HB MET 63 HB2 MET 63 60.067 1.312 7.637 472 2HB MET 63 HB1 MET 63 58.860 2.566 7.921 473 1HG MET 63 HG2 MET 63 59.298 2.757 5.199 474 2HG MET 63 HG1 MET 63 59.406 1.020 5.488 475 1HE MET 63 HE1 MET 63 58.035 -0.334 5.523 476 2HE MET 63 HE2 MET 63 56.377 -0.116 4.968 477 3HE MET 63 HE3 MET 63 56.699 -0.372 6.681 478 H ARG 64 HN ARG 64 61.014 3.382 9.667 479 HA ARG 64 HA ARG 64 59.332 5.604 10.295 480 1HB ARG 64 HB2 ARG 64 61.720 4.518 11.822 481 2HB ARG 64 HB1 ARG 64 60.487 5.594 12.481 482 1HG ARG 64 HG2 ARG 64 59.989 2.818 11.363 483 2HG ARG 64 HG1 ARG 64 60.006 3.249 13.074 484 1HD ARG 64 HD2 ARG 64 58.257 5.073 11.767 485 2HD ARG 64 HD1 ARG 64 57.835 3.454 11.208 486 HE ARG 64 HE ARG 64 56.963 3.048 13.351 487 1HH1 ARG 64 HH21 ARG 64 58.369 6.108 13.336 488 2HH1 ARG 64 HH22 ARG 64 58.592 6.202 15.051 489 1HH2 ARG 64 HH11 ARG 64 57.666 2.909 15.618 490 2HH2 ARG 64 HH12 ARG 64 58.195 4.390 16.342 491 H MET 65 HN MET 65 62.391 5.489 8.802 492 HA MET 65 HA MET 65 63.167 8.198 9.700 493 1HB MET 65 HB2 MET 65 64.868 6.363 9.383 494 2HB MET 65 HB1 MET 65 64.522 6.418 7.654 495 1HG MET 65 HG2 MET 65 65.416 8.571 7.412 496 2HG MET 65 HG1 MET 65 65.238 8.942 9.127 497 1HE MET 65 HE1 MET 65 67.888 7.627 11.003 498 2HE MET 65 HE2 MET 65 66.911 6.210 10.629 499 3HE MET 65 HE3 MET 65 66.132 7.774 10.853 500 H LEU 66 HN LEU 66 62.365 6.532 6.637 501 HA LEU 66 HA LEU 66 62.411 8.894 5.021 502 1HB LEU 66 HB2 LEU 66 61.085 6.199 4.739 503 2HB LEU 66 HB1 LEU 66 60.818 7.471 3.546 504 HG LEU 66 HG LEU 66 62.679 6.054 2.830 505 1HD1 LEU 66 HD11 LEU 66 64.042 8.522 3.846 506 2HD1 LEU 66 HD12 LEU 66 62.685 8.701 2.734 507 3HD1 LEU 66 HD13 LEU 66 64.112 7.786 2.245 508 1HD2 LEU 66 HD21 LEU 66 63.234 5.431 5.275 509 2HD2 LEU 66 HD22 LEU 66 64.171 6.925 5.308 510 3HD2 LEU 66 HD23 LEU 66 64.594 5.645 4.172 511 H LYS 67 HN LYS 67 59.794 7.287 6.820 512 HA LYS 67 HA LYS 67 57.748 9.131 5.932 513 1HB LYS 67 HB2 LYS 67 57.974 6.984 7.992 514 2HB LYS 67 HB1 LYS 67 56.696 8.181 8.209 515 1HG LYS 67 HG2 LYS 67 56.196 7.727 5.680 516 2HG LYS 67 HG1 LYS 67 57.095 6.234 5.952 517 1HD LYS 67 HD2 LYS 67 55.406 5.309 7.140 518 2HD LYS 67 HD1 LYS 67 55.143 6.788 8.066 519 1HE LYS 67 HE2 LYS 67 53.815 7.747 6.293 520 2HE LYS 67 HE1 LYS 67 54.225 6.423 5.203 521 1HZ LYS 67 HZ1 LYS 67 52.063 6.036 6.108 522 2HZ LYS 67 HZ2 LYS 67 52.626 6.246 7.697 523 3HZ LYS 67 HZ3 LYS 67 53.127 4.902 6.786 524 H LEU 68 HN LEU 68 56.503 10.351 7.844 525 HA LEU 68 HA LEU 68 58.334 12.390 8.786 526 1HB LEU 68 HB2 LEU 68 55.431 11.909 9.527 527 2HB LEU 68 HB1 LEU 68 56.341 13.392 9.816 528 HG LEU 68 HG LEU 68 56.554 12.577 7.040 529 1HD1 LEU 68 HD11 LEU 68 54.019 13.373 6.742 530 2HD1 LEU 68 HD12 LEU 68 53.856 12.607 8.322 531 3HD1 LEU 68 HD13 LEU 68 54.432 11.671 6.944 532 1HD2 LEU 68 HD21 LEU 68 55.875 14.891 6.680 533 2HD2 LEU 68 HD22 LEU 68 57.012 14.836 8.027 534 3HD2 LEU 68 HD23 LEU 68 55.285 15.009 8.337 535 H ASP 69 HN ASP 69 59.618 12.127 10.545 536 HA ASP 69 HA ASP 69 59.156 10.024 12.484 537 1HB ASP 69 HB2 ASP 69 61.067 11.266 13.692 538 2HB ASP 69 HB1 ASP 69 61.431 10.573 12.114 539 H THR 70 HN THR 70 56.929 10.762 13.093 540 HA THR 70 HA THR 70 56.942 13.129 14.907 541 HB THR 70 HB THR 70 54.537 11.568 13.933 542 HG1 THR 70 HG1 THR 70 54.504 12.821 12.205 543 1HG2 THR 70 HG21 THR 70 53.896 14.243 14.355 544 2HG2 THR 70 HG22 THR 70 54.996 13.859 15.679 545 3HG2 THR 70 HG23 THR 70 53.532 12.905 15.446 546 H ARG 71 HN ARG 71 56.711 12.832 17.092 547 HA ARG 71 HA ARG 71 55.564 10.336 18.144 548 1HB ARG 71 HB2 ARG 71 58.313 10.432 17.720 549 2HB ARG 71 HB1 ARG 71 58.142 10.841 19.427 550 1HG ARG 71 HG2 ARG 71 56.750 8.834 19.775 551 2HG ARG 71 HG1 ARG 71 56.919 8.422 18.068 552 1HD ARG 71 HD2 ARG 71 59.308 8.131 18.306 553 2HD ARG 71 HD1 ARG 71 59.265 8.748 19.957 554 HE ARG 71 HE ARG 71 58.459 6.056 19.098 555 1HH1 ARG 71 HH21 ARG 71 60.106 6.354 21.486 556 2HH1 ARG 71 HH22 ARG 71 58.966 6.245 22.786 557 1HH2 ARG 71 HH11 ARG 71 56.211 6.857 20.771 558 2HH2 ARG 71 HH12 ARG 71 56.761 6.529 22.380 559 H ILE 72 HN ILE 72 54.039 11.602 19.244 560 HA ILE 72 HA ILE 72 54.892 13.876 20.883 561 HB ILE 72 HB ILE 72 52.509 13.983 21.533 562 1HG1 ILE 72 HG12 ILE 72 51.879 11.719 19.681 563 2HG1 ILE 72 HG11 ILE 72 52.442 11.323 21.305 564 1HG2 ILE 72 HG21 ILE 72 52.110 15.033 19.580 565 2HG2 ILE 72 HG22 ILE 72 52.050 13.499 18.713 566 3HG2 ILE 72 HG23 ILE 72 53.595 14.313 18.957 567 1HD1 ILE 72 HD11 ILE 72 50.181 13.264 20.773 568 2HD1 ILE 72 HD12 ILE 72 50.647 12.556 22.319 569 3HD1 ILE 72 HD13 ILE 72 49.923 11.545 21.068 570 H LYS 73 HN LYS 73 56.417 11.974 21.871 571 HA LYS 73 HA LYS 73 56.985 10.890 23.872 572 1HB LYS 73 HB2 LYS 73 55.902 12.905 24.896 573 2HB LYS 73 HB1 LYS 73 54.369 12.033 24.893 574 1HG LYS 73 HG2 LYS 73 54.931 10.907 26.761 575 2HG LYS 73 HG1 LYS 73 56.465 10.402 26.053 576 1HD LYS 73 HD2 LYS 73 56.834 13.114 26.575 577 2HD LYS 73 HD1 LYS 73 55.931 12.532 27.974 578 1HE LYS 73 HE2 LYS 73 57.567 10.756 28.339 579 2HE LYS 73 HE1 LYS 73 58.441 11.227 26.882 580 1HZ LYS 73 HZ1 LYS 73 58.536 13.517 28.039 581 2HZ LYS 73 HZ2 LYS 73 59.611 12.296 28.529 582 3HZ LYS 73 HZ3 LYS 73 58.228 12.638 29.456 583 H THR 74 HN THR 74 53.411 10.663 23.878 584 HA THR 74 HA THR 74 52.031 8.770 23.641 585 HB THR 74 HB THR 74 54.284 6.924 23.059 586 HG1 THR 74 HG1 THR 74 54.045 8.014 20.819 587 1HG2 THR 74 HG21 THR 74 51.673 7.588 21.670 588 2HG2 THR 74 HG22 THR 74 51.924 6.268 22.812 589 3HG2 THR 74 HG23 THR 74 52.744 6.251 21.251 590 H ARG 75 HN ARG 75 51.826 6.493 24.682 591 HA ARG 75 HA ARG 75 52.379 6.702 27.469 592 1HB ARG 75 HB2 ARG 75 50.792 5.085 25.938 593 2HB ARG 75 HB1 ARG 75 52.071 3.962 26.402 594 1HG ARG 75 HG2 ARG 75 51.436 3.948 28.585 595 2HG ARG 75 HG1 ARG 75 51.106 5.681 28.597 596 1HD ARG 75 HD2 ARG 75 49.296 3.739 27.158 597 2HD ARG 75 HD1 ARG 75 49.086 4.102 28.871 598 HE ARG 75 HE ARG 75 48.912 6.167 26.712 599 1HH1 ARG 75 HH11 ARG 75 46.746 4.627 28.517 600 2HH1 ARG 75 HH12 ARG 75 46.227 5.969 29.481 601 1HH2 ARG 75 HH21 ARG 75 48.849 8.020 28.512 602 2HH2 ARG 75 HH22 ARG 75 47.417 7.890 29.478 603 H LYS 76 HN LYS 76 53.363 3.955 27.906 604 HA LYS 76 HA LYS 76 56.050 3.866 26.743 605 1HB LYS 76 HB2 LYS 76 55.527 4.947 29.467 606 2HB LYS 76 HB1 LYS 76 56.877 3.823 29.309 607 1HG LYS 76 HG2 LYS 76 57.412 5.339 27.179 608 2HG LYS 76 HG1 LYS 76 56.523 6.540 28.118 609 1HD LYS 76 HD2 LYS 76 58.877 4.932 29.155 610 2HD LYS 76 HD1 LYS 76 58.967 6.601 28.589 611 1HE LYS 76 HE2 LYS 76 58.356 7.306 30.634 612 2HE LYS 76 HE1 LYS 76 56.818 6.465 30.445 613 1HZ LYS 76 HZ1 LYS 76 58.308 5.823 32.399 614 2HZ LYS 76 HZ2 LYS 76 59.260 5.014 31.247 615 3HZ LYS 76 HZ3 LYS 76 57.636 4.571 31.474 616 H ASN 77 HN ASN 77 54.477 1.871 26.311 617 HA ASN 77 HA ASN 77 54.213 -0.050 28.466 618 1HB ASN 77 HB2 ASN 77 53.887 -0.176 25.470 619 2HB ASN 77 HB1 ASN 77 53.805 -1.639 26.452 620 1HD2 ASN 77 HD21 ASN 77 51.448 -1.262 25.319 621 2HD2 ASN 77 HD22 ASN 77 50.322 -0.498 26.334
Contact the webmaster for help, if required. Wednesday, June 26, 2024 1:25:05 AM GMT (wattos1)