NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | position | program | type |
8198 | 1lsi | 4159 | cing | recoord | 1-original | 13 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H ARG 1 HT2 ARG 1 2.094 14.683 -0.194 2 2H ARG 1 HT3 ARG 1 2.665 14.889 -1.782 3 3H ARG 1 HT1 ARG 1 0.998 14.804 -1.485 4 HA ARG 1 HA ARG 1 1.112 12.662 -1.940 5 1HB ARG 1 HB1 ARG 1 3.059 11.737 -2.762 6 2HB ARG 1 HB2 ARG 1 3.548 13.423 -2.764 7 1HG ARG 1 HG1 ARG 1 4.085 11.486 -0.494 8 2HG ARG 1 HG2 ARG 1 5.257 11.921 -1.738 9 1HD ARG 1 HD1 ARG 1 3.897 13.936 0.074 10 2HD ARG 1 HD2 ARG 1 5.492 13.252 0.388 11 HE ARG 1 HE ARG 1 4.839 15.232 -1.681 12 1HH1 ARG 1 HH11 ARG 1 6.425 12.966 -2.919 13 2HH1 ARG 1 HH12 ARG 1 8.050 13.522 -2.699 14 1HH2 ARG 1 HH21 ARG 1 7.191 15.913 -0.338 15 2HH2 ARG 1 HH22 ARG 1 8.484 15.191 -1.238 16 H GLU 2 HN GLU 2 1.105 10.654 -0.779 17 HA GLU 2 HA GLU 2 1.873 10.889 2.101 18 1HB GLU 2 HB1 GLU 2 -0.476 9.373 0.914 19 2HB GLU 2 HB2 GLU 2 -0.054 9.444 2.625 20 1HG GLU 2 HG1 GLU 2 -0.432 11.860 2.648 21 2HG GLU 2 HG2 GLU 2 -0.744 11.853 0.912 22 H CYS 3 HN CYS 3 2.608 8.848 3.049 23 HA CYS 3 HA CYS 3 3.521 6.673 3.012 24 1HB CYS 3 HB1 CYS 3 2.974 6.722 0.034 25 2HB CYS 3 HB2 CYS 3 3.534 5.336 0.959 26 H TYR 4 HN TYR 4 4.377 8.761 0.290 27 HA TYR 4 HA TYR 4 6.480 9.210 -0.669 28 1HB TYR 4 HB1 TYR 4 8.148 9.526 1.506 29 2HB TYR 4 HB2 TYR 4 7.080 10.769 0.859 30 HD1 TYR 4 HD2 TYR 4 4.614 10.779 1.749 31 HD2 TYR 4 HD1 TYR 4 7.855 8.761 3.723 32 HE1 TYR 4 HE2 TYR 4 3.315 10.761 3.864 33 HE2 TYR 4 HE1 TYR 4 6.556 8.743 5.838 34 HH TYR 4 HH TYR 4 3.943 10.650 6.405 35 H LEU 5 HN LEU 5 7.973 7.658 2.142 36 HA LEU 5 HA LEU 5 8.589 5.356 0.501 37 1HB LEU 5 HB1 LEU 5 10.848 6.692 1.852 38 2HB LEU 5 HB2 LEU 5 10.862 5.528 0.540 39 HG LEU 5 HG LEU 5 9.556 7.397 -0.759 40 1HD1 LEU 5 HD11 LEU 5 9.860 8.690 1.658 41 2HD1 LEU 5 HD13 LEU 5 11.190 9.351 0.706 42 3HD1 LEU 5 HD12 LEU 5 9.532 9.488 0.120 43 1HD2 LEU 5 HD23 LEU 5 11.853 6.517 -1.256 44 2HD2 LEU 5 HD21 LEU 5 11.663 8.230 -1.634 45 3HD2 LEU 5 HD22 LEU 5 12.508 7.739 -0.165 46 H ASN 6 HN ASN 6 7.078 4.561 2.251 47 HA ASN 6 HA ASN 6 7.974 4.337 4.987 48 1HB ASN 6 HB1 ASN 6 6.404 2.049 4.032 49 2HB ASN 6 HB2 ASN 6 5.993 3.221 5.277 50 1HD2 ASN 6 HD22 ASN 6 4.211 3.442 1.692 51 2HD2 ASN 6 HD21 ASN 6 5.157 2.118 2.180 52 HA PRO 7 HA PRO 7 10.673 0.816 4.437 53 1HB PRO 7 HB1 PRO 7 9.656 -1.308 5.870 54 2HB PRO 7 HB2 PRO 7 10.454 0.088 6.611 55 1HG PRO 7 HG1 PRO 7 7.557 -0.618 6.528 56 2HG PRO 7 HG2 PRO 7 8.432 0.378 7.702 57 1HD PRO 7 HD1 PRO 7 6.796 1.296 5.570 58 2HD PRO 7 HD2 PRO 7 7.857 2.298 6.579 59 H HIS 8 HN HIS 8 8.439 1.063 2.497 60 HA HIS 8 HA HIS 8 8.476 -1.673 1.345 61 1HB HIS 8 HB1 HIS 8 6.133 0.239 1.583 62 2HB HIS 8 HB2 HIS 8 6.135 -1.163 0.523 63 HD1 HIS 8 HD1 HIS 8 5.956 -3.501 1.621 64 HD2 HIS 8 HD2 HIS 8 5.985 -0.379 4.376 65 HE1 HIS 8 HE1 HIS 8 5.198 -4.491 3.818 66 H ASP 9 HN ASP 9 7.129 -0.950 -1.020 67 HA ASP 9 HA ASP 9 9.242 0.496 -2.413 68 1HB ASP 9 HB1 ASP 9 7.563 -1.422 -3.230 69 2HB ASP 9 HB2 ASP 9 6.617 -0.021 -3.736 70 H THR 10 HN THR 10 5.967 1.245 -1.318 71 HA THR 10 HA THR 10 4.873 3.293 -1.093 72 HB THR 10 HB THR 10 6.918 5.166 -1.844 73 HG1 THR 10 HG1 THR 10 7.708 3.092 -0.072 74 1HG2 THR 10 HG23 THR 10 5.444 4.312 0.614 75 2HG2 THR 10 HG22 THR 10 6.798 5.412 0.768 76 3HG2 THR 10 HG21 THR 10 5.425 5.864 -0.222 77 H GLN 11 HN GLN 11 4.786 5.556 -2.442 78 HA GLN 11 HA GLN 11 5.231 5.387 -5.256 79 1HB GLN 11 HB1 GLN 11 3.028 3.922 -4.409 80 2HB GLN 11 HB2 GLN 11 2.328 5.456 -4.928 81 1HG GLN 11 HG1 GLN 11 3.562 5.258 -7.070 82 2HG GLN 11 HG2 GLN 11 4.186 3.694 -6.548 83 1HE2 GLN 11 HE22 GLN 11 0.950 3.360 -8.567 84 2HE2 GLN 11 HE21 GLN 11 2.350 4.276 -8.856 85 H THR 12 HN THR 12 3.466 6.807 -2.553 86 HA THR 12 HA THR 12 3.106 9.033 -2.007 87 HB THR 12 HB THR 12 4.555 10.621 -2.810 88 HG1 THR 12 HG1 THR 12 5.115 10.817 -4.901 89 1HG2 THR 12 HG23 THR 12 5.641 8.296 -2.197 90 2HG2 THR 12 HG22 THR 12 6.111 8.316 -3.897 91 3HG2 THR 12 HG21 THR 12 6.635 9.613 -2.822 92 H CYS 13 HN CYS 13 1.632 10.656 -2.519 93 HA CYS 13 HA CYS 13 0.267 10.485 -5.166 94 1HB CYS 13 HB1 CYS 13 -0.992 9.276 -3.328 95 2HB CYS 13 HB2 CYS 13 -1.127 10.824 -2.498 96 HA PRO 14 HA PRO 14 1.270 14.836 -3.708 97 1HB PRO 14 HB1 PRO 14 3.167 15.389 -5.627 98 2HB PRO 14 HB2 PRO 14 3.549 14.728 -4.031 99 1HG PRO 14 HG1 PRO 14 3.517 13.372 -6.695 100 2HG PRO 14 HG2 PRO 14 4.448 12.963 -5.245 101 1HD PRO 14 HD1 PRO 14 2.080 11.674 -6.157 102 2HD PRO 14 HD2 PRO 14 2.850 11.460 -4.573 103 H SER 15 HN SER 15 -0.249 13.322 -6.192 104 HA SER 15 HA SER 15 -0.478 15.724 -7.932 105 1HB SER 15 HB1 SER 15 -0.338 12.997 -8.497 106 2HB SER 15 HB2 SER 15 -2.034 13.401 -8.750 107 HG SER 15 HG SER 15 -1.315 15.172 -10.047 108 H GLY 16 HN GLY 16 -2.979 15.504 -8.952 109 1HA GLY 16 HA1 GLY 16 -4.676 16.851 -7.255 110 2HA GLY 16 HA2 GLY 16 -5.284 15.759 -8.498 111 H GLN 17 HN GLN 17 -4.283 13.322 -7.420 112 HA GLN 17 HA GLN 17 -6.327 12.766 -5.456 113 1HB GLN 17 HB1 GLN 17 -3.955 11.179 -6.470 114 2HB GLN 17 HB2 GLN 17 -5.084 10.544 -5.271 115 1HG GLN 17 HG1 GLN 17 -6.144 11.719 -7.827 116 2HG GLN 17 HG2 GLN 17 -5.497 10.078 -7.831 117 1HE2 GLN 17 HE22 GLN 17 -8.959 10.877 -5.763 118 2HE2 GLN 17 HE21 GLN 17 -7.934 12.156 -6.207 119 H GLU 18 HN GLU 18 -5.957 12.163 -3.209 120 HA GLU 18 HA GLU 18 -3.321 12.996 -2.108 121 1HB GLU 18 HB1 GLU 18 -4.400 14.339 -0.373 122 2HB GLU 18 HB2 GLU 18 -4.877 14.936 -1.964 123 1HG GLU 18 HG1 GLU 18 -6.659 12.826 -1.040 124 2HG GLU 18 HG2 GLU 18 -6.596 14.164 0.108 125 H ILE 19 HN ILE 19 -5.180 10.456 -2.439 126 HA ILE 19 HA ILE 19 -5.204 9.672 0.439 127 HB ILE 19 HB ILE 19 -6.286 8.042 -1.834 128 1HG1 ILE 19 HG11 ILE 19 -7.116 10.670 -1.327 129 2HG1 ILE 19 HG12 ILE 19 -8.021 9.451 -2.208 130 1HG2 ILE 19 HG21 ILE 19 -6.021 7.139 0.510 131 2HG2 ILE 19 HG23 ILE 19 -7.214 8.324 1.034 132 3HG2 ILE 19 HG22 ILE 19 -7.667 7.069 -0.120 133 1HD1 ILE 19 HD13 ILE 19 -9.074 8.725 -0.072 134 2HD1 ILE 19 HD11 ILE 19 -8.200 10.006 0.769 135 3HD1 ILE 19 HD12 ILE 19 -9.415 10.416 -0.442 136 H CYS 20 HN CYS 20 -4.295 7.620 0.987 137 HA CYS 20 HA CYS 20 -2.200 6.684 -0.931 138 1HB CYS 20 HB1 CYS 20 -1.734 7.961 1.511 139 2HB CYS 20 HB2 CYS 20 -1.526 6.248 1.875 140 H TYR 21 HN TYR 21 -2.704 4.616 -1.500 141 HA TYR 21 HA TYR 21 -4.248 3.012 0.480 142 1HB TYR 21 HB1 TYR 21 -5.023 1.684 -1.306 143 2HB TYR 21 HB2 TYR 21 -4.989 3.309 -1.988 144 HD1 TYR 21 HD1 TYR 21 -3.008 4.016 -3.390 145 HD2 TYR 21 HD2 TYR 21 -3.660 -0.050 -2.177 146 HE1 TYR 21 HE1 TYR 21 -1.453 3.242 -5.161 147 HE2 TYR 21 HE2 TYR 21 -2.112 -0.825 -3.955 148 HH TYR 21 HH TYR 21 -0.573 1.483 -6.190 149 H VAL 22 HN VAL 22 -3.541 0.789 0.893 150 HA VAL 22 HA VAL 22 -0.603 0.483 0.429 151 HB VAL 22 HB VAL 22 -0.329 -0.350 2.645 152 1HG1 VAL 22 HG11 VAL 22 -2.239 2.008 2.591 153 2HG1 VAL 22 HG13 VAL 22 -1.381 1.491 4.040 154 3HG1 VAL 22 HG12 VAL 22 -0.478 2.064 2.640 155 1HG2 VAL 22 HG22 VAL 22 -3.353 -0.428 2.710 156 2HG2 VAL 22 HG21 VAL 22 -2.244 -1.796 2.822 157 3HG2 VAL 22 HG23 VAL 22 -2.344 -0.632 4.142 158 H LYS 23 HN LYS 23 -0.225 -1.232 -0.847 159 HA LYS 23 HA LYS 23 -2.195 -3.466 -0.903 160 1HB LYS 23 HB1 LYS 23 -1.467 -2.239 -3.023 161 2HB LYS 23 HB2 LYS 23 0.111 -2.985 -2.804 162 1HG LYS 23 HG1 LYS 23 -1.079 -5.223 -2.737 163 2HG LYS 23 HG2 LYS 23 -2.547 -4.373 -3.221 164 1HD LYS 23 HD1 LYS 23 0.064 -4.357 -4.767 165 2HD LYS 23 HD2 LYS 23 -1.345 -5.340 -5.171 166 1HE LYS 23 HE1 LYS 23 -2.665 -3.411 -5.656 167 2HE LYS 23 HE2 LYS 23 -1.493 -2.330 -4.903 168 1HZ LYS 23 HZ3 LYS 23 -0.587 -4.007 -7.121 169 2HZ LYS 23 HZ1 LYS 23 -1.573 -2.677 -7.491 170 3HZ LYS 23 HZ2 LYS 23 -0.101 -2.440 -6.675 171 H SER 24 HN SER 24 -1.631 -5.348 0.120 172 HA SER 24 HA SER 24 1.263 -5.980 0.382 173 1HB SER 24 HB1 SER 24 0.964 -6.566 2.749 174 2HB SER 24 HB2 SER 24 0.558 -4.874 2.475 175 HG SER 24 HG SER 24 -1.197 -5.477 3.491 176 H TRP 25 HN TRP 25 1.393 -7.885 -0.716 177 HA TRP 25 HA TRP 25 -0.520 -10.046 0.100 178 1HB TRP 25 HB1 TRP 25 -0.510 -10.863 -2.234 179 2HB TRP 25 HB2 TRP 25 -1.154 -9.223 -2.132 180 HD1 TRP 25 HD1 TRP 25 1.588 -11.207 -3.721 181 HE1 TRP 25 HE1 TRP 25 3.095 -9.611 -5.087 182 HE3 TRP 25 HE3 TRP 25 -0.126 -6.800 -1.971 183 HZ2 TRP 25 HZ2 TRP 25 3.509 -6.763 -5.355 184 HZ3 TRP 25 HZ3 TRP 25 0.812 -4.690 -2.726 185 HH2 TRP 25 HH2 TRP 25 2.633 -4.623 -4.427 186 H CYS 26 HN CYS 26 0.509 -12.220 -1.025 187 HA CYS 26 HA CYS 26 3.457 -12.189 -0.633 188 1HB CYS 26 HB1 CYS 26 1.721 -13.055 1.370 189 2HB CYS 26 HB2 CYS 26 2.221 -14.544 0.570 190 H ASN 27 HN ASN 27 4.125 -14.720 -0.991 191 HA ASN 27 HA ASN 27 2.736 -15.549 -3.507 192 1HB ASN 27 HB1 ASN 27 5.414 -14.828 -3.160 193 2HB ASN 27 HB2 ASN 27 5.442 -16.592 -3.175 194 1HD2 ASN 27 HD22 ASN 27 4.590 -14.549 -6.592 195 2HD2 ASN 27 HD21 ASN 27 4.842 -13.730 -5.125 196 H ALA 28 HN ALA 28 3.239 -18.027 -3.909 197 HA ALA 28 HA ALA 28 2.168 -19.445 -1.639 198 1HB ALA 28 HB3 ALA 28 2.538 -19.952 -4.418 199 2HB ALA 28 HB2 ALA 28 3.275 -21.277 -3.519 200 3HB ALA 28 HB1 ALA 28 1.576 -20.878 -3.267 201 H TRP 29 HN TRP 29 5.237 -18.433 -2.328 202 HA TRP 29 HA TRP 29 6.379 -20.430 -0.445 203 1HB TRP 29 HB1 TRP 29 7.656 -19.521 -3.013 204 2HB TRP 29 HB2 TRP 29 8.376 -20.579 -1.829 205 HD1 TRP 29 HD1 TRP 29 5.001 -20.539 -3.787 206 HE1 TRP 29 HE1 TRP 29 4.551 -22.971 -4.550 207 HE3 TRP 29 HE3 TRP 29 9.063 -22.778 -1.810 208 HZ2 TRP 29 HZ2 TRP 29 5.802 -25.560 -4.326 209 HZ3 TRP 29 HZ3 TRP 29 9.455 -25.233 -2.072 210 HH2 TRP 29 HH2 TRP 29 7.821 -26.620 -3.331 211 H CYS 30 HN CYS 30 5.603 -17.390 -0.483 212 HA CYS 30 HA CYS 30 8.117 -15.990 -0.194 213 1HB CYS 30 HB1 CYS 30 6.822 -14.133 0.632 214 2HB CYS 30 HB2 CYS 30 5.962 -14.850 -0.728 215 H SER 31 HN SER 31 7.172 -18.425 1.686 216 HA SER 31 HA SER 31 6.959 -17.722 4.322 217 1HB SER 31 HB1 SER 31 7.830 -19.801 4.860 218 2HB SER 31 HB2 SER 31 7.486 -20.048 3.151 219 HG SER 31 HG SER 31 9.819 -20.214 4.353 220 H SER 32 HN SER 32 7.875 -15.735 4.831 221 HA SER 32 HA SER 32 9.559 -14.150 5.234 222 1HB SER 32 HB1 SER 32 11.411 -16.330 6.022 223 2HB SER 32 HB2 SER 32 11.002 -14.841 6.869 224 HG SER 32 HG SER 32 10.082 -17.164 7.445 225 H ARG 33 HN ARG 33 9.719 -13.975 2.887 226 HA ARG 33 HA ARG 33 12.486 -14.664 1.996 227 1HB ARG 33 HB1 ARG 33 9.907 -14.997 0.452 228 2HB ARG 33 HB2 ARG 33 11.480 -14.920 -0.343 229 1HG ARG 33 HG1 ARG 33 10.893 -16.853 1.909 230 2HG ARG 33 HG2 ARG 33 10.616 -17.264 0.216 231 1HD ARG 33 HD1 ARG 33 12.852 -17.413 -0.244 232 2HD ARG 33 HD2 ARG 33 13.265 -16.082 0.836 233 HE ARG 33 HE ARG 33 12.513 -18.110 2.562 234 1HH1 ARG 33 HH11 ARG 33 13.928 -19.047 -0.274 235 2HH1 ARG 33 HH12 ARG 33 15.394 -19.653 0.423 236 1HH2 ARG 33 HH21 ARG 33 14.749 -18.349 3.570 237 2HH2 ARG 33 HH22 ARG 33 15.859 -19.257 2.598 238 H GLY 34 HN GLY 34 10.159 -13.094 -0.089 239 1HA GLY 34 HA1 GLY 34 11.263 -10.424 0.607 240 2HA GLY 34 HA2 GLY 34 11.440 -10.991 -1.055 241 H LYS 35 HN LYS 35 8.899 -10.639 1.443 242 HA LYS 35 HA LYS 35 6.628 -10.775 -0.148 243 1HB LYS 35 HB1 LYS 35 7.016 -8.671 1.995 244 2HB LYS 35 HB2 LYS 35 5.502 -9.423 1.493 245 1HG LYS 35 HG1 LYS 35 5.828 -11.130 2.926 246 2HG LYS 35 HG2 LYS 35 7.415 -11.458 2.231 247 1HD LYS 35 HD1 LYS 35 7.410 -10.849 4.705 248 2HD LYS 35 HD2 LYS 35 8.473 -9.874 3.689 249 1HE LYS 35 HE1 LYS 35 7.080 -8.007 3.801 250 2HE LYS 35 HE2 LYS 35 5.645 -8.972 4.143 251 1HZ LYS 35 HZ2 LYS 35 7.366 -9.475 6.221 252 2HZ LYS 35 HZ3 LYS 35 7.502 -7.803 5.954 253 3HZ LYS 35 HZ1 LYS 35 5.983 -8.489 6.267 254 H VAL 36 HN VAL 36 5.521 -9.348 -1.509 255 HA VAL 36 HA VAL 36 7.119 -7.012 -2.460 256 HB VAL 36 HB VAL 36 4.748 -7.761 -4.030 257 1HG1 VAL 36 HG13 VAL 36 7.258 -6.530 -4.380 258 2HG1 VAL 36 HG12 VAL 36 7.315 -8.006 -5.345 259 3HG1 VAL 36 HG11 VAL 36 6.036 -6.822 -5.619 260 1HG2 VAL 36 HG21 VAL 36 6.823 -9.804 -3.316 261 2HG2 VAL 36 HG23 VAL 36 5.102 -10.022 -3.634 262 3HG2 VAL 36 HG22 VAL 36 6.221 -9.768 -4.973 263 H LEU 37 HN LEU 37 6.225 -5.923 -0.429 264 HA LEU 37 HA LEU 37 3.396 -5.098 -0.753 265 1HB LEU 37 HB1 LEU 37 5.335 -5.233 1.544 266 2HB LEU 37 HB2 LEU 37 3.870 -4.274 1.653 267 HG LEU 37 HG LEU 37 2.549 -6.111 1.852 268 1HD1 LEU 37 HD11 LEU 37 2.906 -6.811 -0.507 269 2HD1 LEU 37 HD13 LEU 37 4.377 -7.649 -0.016 270 3HD1 LEU 37 HD12 LEU 37 2.810 -8.192 0.578 271 1HD2 LEU 37 HD21 LEU 37 5.201 -6.711 2.820 272 2HD2 LEU 37 HD23 LEU 37 3.640 -7.119 3.533 273 3HD2 LEU 37 HD22 LEU 37 4.369 -8.189 2.336 274 H GLU 38 HN GLU 38 2.975 -3.058 -1.434 275 HA GLU 38 HA GLU 38 4.903 -0.884 -0.842 276 1HB GLU 38 HB1 GLU 38 4.726 -0.112 -3.253 277 2HB GLU 38 HB2 GLU 38 5.673 -1.580 -3.011 278 1HG GLU 38 HG1 GLU 38 3.087 -2.536 -3.337 279 2HG GLU 38 HG2 GLU 38 3.168 -1.196 -4.481 280 H PHE 39 HN PHE 39 3.889 1.127 -0.666 281 HA PHE 39 HA PHE 39 0.937 1.105 -0.988 282 1HB PHE 39 HB1 PHE 39 2.483 3.019 0.761 283 2HB PHE 39 HB2 PHE 39 0.768 2.611 0.842 284 HD1 PHE 39 HD2 PHE 39 1.294 -0.441 0.363 285 HD2 PHE 39 HD1 PHE 39 2.911 2.443 3.108 286 HE1 PHE 39 HE2 PHE 39 1.806 -2.259 1.971 287 HE2 PHE 39 HE1 PHE 39 3.426 0.624 4.715 288 HZ PHE 39 HZ PHE 39 2.873 -1.726 4.147 289 H GLY 40 HN GLY 40 -0.013 3.024 -2.002 290 1HA GLY 40 HA1 GLY 40 1.935 4.968 -3.089 291 2HA GLY 40 HA2 GLY 40 1.003 4.038 -4.258 292 H CYS 41 HN CYS 41 -0.102 5.813 -5.088 293 HA CYS 41 HA CYS 41 -1.646 7.534 -3.273 294 1HB CYS 41 HB1 CYS 41 -0.505 8.707 -5.003 295 2HB CYS 41 HB2 CYS 41 -1.050 7.585 -6.237 296 H ALA 42 HN ALA 42 -3.870 7.929 -3.743 297 HA ALA 42 HA ALA 42 -5.442 6.140 -5.387 298 1HB ALA 42 HB2 ALA 42 -5.003 5.502 -2.513 299 2HB ALA 42 HB1 ALA 42 -6.649 5.337 -3.124 300 3HB ALA 42 HB3 ALA 42 -5.336 4.422 -3.865 301 H ALA 43 HN ALA 43 -7.852 6.362 -4.627 302 HA ALA 43 HA ALA 43 -8.321 9.233 -4.013 303 1HB ALA 43 HB3 ALA 43 -9.085 7.827 -6.231 304 2HB ALA 43 HB2 ALA 43 -10.513 7.665 -5.210 305 3HB ALA 43 HB1 ALA 43 -9.913 9.267 -5.638 306 H THR 44 HN THR 44 -9.572 5.936 -3.441 307 HA THR 44 HA THR 44 -10.500 6.819 -0.783 308 HB THR 44 HB THR 44 -12.492 7.240 -2.063 309 HG1 THR 44 HG1 THR 44 -13.056 4.647 -1.229 310 1HG2 THR 44 HG21 THR 44 -11.855 4.575 -3.331 311 2HG2 THR 44 HG23 THR 44 -13.455 5.308 -3.447 312 3HG2 THR 44 HG22 THR 44 -12.054 6.139 -4.122 313 H CYS 45 HN CYS 45 -10.131 5.224 0.674 314 HA CYS 45 HA CYS 45 -8.620 3.056 0.448 315 1HB CYS 45 HB1 CYS 45 -9.633 3.817 2.555 316 2HB CYS 45 HB2 CYS 45 -11.171 3.116 2.055 317 HA PRO 46 HA PRO 46 -11.117 0.553 -2.379 318 1HB PRO 46 HB1 PRO 46 -9.011 -1.003 -3.238 319 2HB PRO 46 HB2 PRO 46 -9.406 0.585 -3.915 320 1HG PRO 46 HG1 PRO 46 -7.167 -0.199 -2.117 321 2HG PRO 46 HG2 PRO 46 -7.287 1.183 -3.214 322 1HD PRO 46 HD1 PRO 46 -7.648 1.187 -0.376 323 2HD PRO 46 HD2 PRO 46 -7.927 2.541 -1.493 324 H SER 47 HN SER 47 -11.101 -2.029 -2.646 325 HA SER 47 HA SER 47 -10.991 -3.130 0.127 326 1HB SER 47 HB1 SER 47 -12.681 -4.706 -0.559 327 2HB SER 47 HB2 SER 47 -13.200 -3.113 -1.104 328 HG SER 47 HG SER 47 -13.214 -3.887 -3.031 329 H VAL 48 HN VAL 48 -11.221 -5.881 -0.895 330 HA VAL 48 HA VAL 48 -8.380 -6.246 -1.699 331 HB VAL 48 HB VAL 48 -10.306 -7.988 -0.225 332 1HG1 VAL 48 HG12 VAL 48 -8.144 -8.784 -1.976 333 2HG1 VAL 48 HG11 VAL 48 -7.812 -9.270 -0.313 334 3HG1 VAL 48 HG13 VAL 48 -9.296 -9.799 -1.106 335 1HG2 VAL 48 HG23 VAL 48 -8.507 -6.106 0.641 336 2HG2 VAL 48 HG22 VAL 48 -9.085 -7.458 1.615 337 3HG2 VAL 48 HG21 VAL 48 -7.560 -7.590 0.740 338 H ASN 49 HN ASN 49 -8.933 -5.873 -3.982 339 HA ASN 49 HA ASN 49 -10.874 -7.188 -5.475 340 1HB ASN 49 HB1 ASN 49 -9.481 -5.513 -6.510 341 2HB ASN 49 HB2 ASN 49 -8.030 -6.480 -6.237 342 1HD2 ASN 49 HD22 ASN 49 -8.413 -8.054 -9.356 343 2HD2 ASN 49 HD21 ASN 49 -7.373 -7.425 -8.171 344 H THR 50 HN THR 50 -7.720 -8.378 -6.356 345 HA THR 50 HA THR 50 -8.684 -11.111 -6.410 346 HB THR 50 HB THR 50 -6.902 -10.053 -7.924 347 HG1 THR 50 HG1 THR 50 -7.343 -12.416 -7.390 348 1HG2 THR 50 HG21 THR 50 -5.670 -9.612 -5.432 349 2HG2 THR 50 HG23 THR 50 -4.712 -10.865 -6.219 350 3HG2 THR 50 HG22 THR 50 -4.976 -9.320 -7.027 351 H GLY 51 HN GLY 51 -5.959 -12.090 -5.374 352 1HA GLY 51 HA1 GLY 51 -6.808 -12.328 -2.559 353 2HA GLY 51 HA2 GLY 51 -5.495 -13.227 -3.325 354 H THR 52 HN THR 52 -6.073 -9.731 -3.325 355 HA THR 52 HA THR 52 -3.365 -9.346 -2.153 356 HB THR 52 HB THR 52 -5.141 -7.684 -3.951 357 HG1 THR 52 HG1 THR 52 -3.618 -9.219 -4.788 358 1HG2 THR 52 HG21 THR 52 -3.139 -6.771 -1.978 359 2HG2 THR 52 HG23 THR 52 -2.903 -6.155 -3.614 360 3HG2 THR 52 HG22 THR 52 -4.428 -5.870 -2.777 361 H GLU 53 HN GLU 53 -3.129 -8.055 -0.285 362 HA GLU 53 HA GLU 53 -5.666 -7.509 1.157 363 1HB GLU 53 HB1 GLU 53 -2.915 -7.289 2.360 364 2HB GLU 53 HB2 GLU 53 -4.443 -7.658 3.160 365 1HG GLU 53 HG1 GLU 53 -4.044 -9.643 1.165 366 2HG GLU 53 HG2 GLU 53 -2.522 -9.478 2.038 367 H ILE 54 HN ILE 54 -6.329 -5.472 0.415 368 HA ILE 54 HA ILE 54 -4.307 -3.306 0.384 369 HB ILE 54 HB ILE 54 -6.650 -3.896 -1.154 370 1HG1 ILE 54 HG11 ILE 54 -5.809 -1.682 -2.280 371 2HG1 ILE 54 HG12 ILE 54 -4.480 -1.819 -1.128 372 1HG2 ILE 54 HG23 ILE 54 -6.804 -1.292 0.389 373 2HG2 ILE 54 HG22 ILE 54 -7.710 -1.602 -1.092 374 3HG2 ILE 54 HG21 ILE 54 -8.008 -2.579 0.348 375 1HD1 ILE 54 HD13 ILE 54 -5.335 -4.071 -2.966 376 2HD1 ILE 54 HD11 ILE 54 -4.048 -2.931 -3.359 377 3HD1 ILE 54 HD12 ILE 54 -3.884 -4.001 -1.966 378 H LYS 55 HN LYS 55 -4.948 -1.225 1.452 379 HA LYS 55 HA LYS 55 -6.916 -1.437 3.619 380 1HB LYS 55 HB1 LYS 55 -5.440 -2.045 5.213 381 2HB LYS 55 HB2 LYS 55 -4.112 -1.980 4.063 382 1HG LYS 55 HG1 LYS 55 -3.920 0.470 4.454 383 2HG LYS 55 HG2 LYS 55 -5.208 0.361 5.654 384 1HD LYS 55 HD1 LYS 55 -3.096 -1.612 6.099 385 2HD LYS 55 HD2 LYS 55 -2.491 0.044 6.153 386 1HE LYS 55 HE1 LYS 55 -3.804 0.605 7.980 387 2HE LYS 55 HE2 LYS 55 -5.042 -0.588 7.588 388 1HZ LYS 55 HZ3 LYS 55 -3.017 -2.201 8.053 389 2HZ LYS 55 HZ1 LYS 55 -2.542 -0.914 9.051 390 3HZ LYS 55 HZ2 LYS 55 -4.049 -1.662 9.291 391 H CYS 56 HN CYS 56 -6.850 0.732 4.903 392 HA CYS 56 HA CYS 56 -6.610 2.901 2.884 393 1HB CYS 56 HB1 CYS 56 -7.787 3.481 5.550 394 2HB CYS 56 HB2 CYS 56 -8.352 3.951 3.949 395 H CYS 57 HN CYS 57 -4.895 4.240 3.021 396 HA CYS 57 HA CYS 57 -3.661 4.735 5.687 397 1HB CYS 57 HB1 CYS 57 -2.371 2.938 4.647 398 2HB CYS 57 HB2 CYS 57 -2.195 3.887 3.174 399 H SER 58 HN SER 58 -2.556 6.741 5.814 400 HA SER 58 HA SER 58 -2.689 8.458 3.421 401 1HB SER 58 HB1 SER 58 -4.386 8.708 5.763 402 2HB SER 58 HB2 SER 58 -3.438 10.168 5.497 403 HG SER 58 HG SER 58 -4.212 10.283 3.409 404 H ALA 59 HN ALA 59 -0.936 7.322 5.995 405 HA ALA 59 HA ALA 59 1.198 9.231 5.437 406 1HB ALA 59 HB1 ALA 59 -0.265 9.330 8.083 407 2HB ALA 59 HB3 ALA 59 1.356 9.987 7.858 408 3HB ALA 59 HB2 ALA 59 -0.001 10.656 6.950 409 H ASP 60 HN ASP 60 1.491 8.266 8.619 410 HA ASP 60 HA ASP 60 3.135 5.940 7.807 411 1HB ASP 60 HB1 ASP 60 4.263 7.625 9.212 412 2HB ASP 60 HB2 ASP 60 2.995 7.474 10.428 413 H LYS 61 HN LYS 61 0.238 5.961 7.864 414 HA LYS 61 HA LYS 61 -0.308 4.133 10.113 415 1HB LYS 61 HB1 LYS 61 -2.604 4.689 9.946 416 2HB LYS 61 HB2 LYS 61 -1.743 6.217 9.751 417 1HG LYS 61 HG1 LYS 61 -1.833 5.835 7.266 418 2HG LYS 61 HG2 LYS 61 -2.909 4.473 7.569 419 1HD LYS 61 HD1 LYS 61 -3.578 7.098 8.841 420 2HD LYS 61 HD2 LYS 61 -3.875 6.921 7.112 421 1HE LYS 61 HE1 LYS 61 -4.787 4.543 8.406 422 2HE LYS 61 HE2 LYS 61 -5.443 5.923 9.288 423 1HZ LYS 61 HZ3 LYS 61 -5.532 5.857 6.345 424 2HZ LYS 61 HZ1 LYS 61 -6.706 5.034 7.251 425 3HZ LYS 61 HZ2 LYS 61 -6.522 6.713 7.427 426 H CYS 62 HN CYS 62 0.678 3.968 7.035 427 HA CYS 62 HA CYS 62 -1.074 2.194 5.720 428 1HB CYS 62 HB1 CYS 62 1.951 2.357 5.639 429 2HB CYS 62 HB2 CYS 62 0.991 1.392 4.523 430 H ASN 63 HN ASN 63 1.048 1.665 8.418 431 HA ASN 63 HA ASN 63 0.261 -1.202 8.408 432 1HB ASN 63 HB1 ASN 63 2.493 -1.655 9.471 433 2HB ASN 63 HB2 ASN 63 2.603 -1.101 7.803 434 1HD2 ASN 63 HD22 ASN 63 4.708 1.543 8.765 435 2HD2 ASN 63 HD21 ASN 63 4.309 0.357 7.619 436 H THR 64 HN THR 64 -1.382 0.406 9.746 437 HA THR 64 HA THR 64 -0.843 -0.258 12.559 438 HB THR 64 HB THR 64 -1.672 2.487 12.540 439 HG1 THR 64 HG1 THR 64 0.439 3.221 11.741 440 1HG2 THR 64 HG23 THR 64 0.329 0.681 13.725 441 2HG2 THR 64 HG22 THR 64 0.828 2.370 13.634 442 3HG2 THR 64 HG21 THR 64 -0.652 1.932 14.488 443 H TYR 65 HN TYR 65 -2.800 0.588 13.911 444 HA TYR 65 HA TYR 65 -5.089 0.108 14.258 445 1HB TYR 65 HB1 TYR 65 -5.274 2.418 13.909 446 2HB TYR 65 HB2 TYR 65 -4.838 2.288 12.210 447 HD1 TYR 65 HD2 TYR 65 -7.456 0.945 14.553 448 HD2 TYR 65 HD1 TYR 65 -6.573 2.555 10.668 449 HE1 TYR 65 HE2 TYR 65 -9.862 0.829 13.958 450 HE2 TYR 65 HE1 TYR 65 -8.979 2.439 10.072 451 HH TYR 65 HH TYR 65 -11.420 1.523 12.460 452 HA PRO 66 HA PRO 66 -5.531 -2.744 10.662 453 1HB PRO 66 HB1 PRO 66 -5.706 -5.016 12.207 454 2HB PRO 66 HB2 PRO 66 -4.179 -4.356 11.595 455 1HG PRO 66 HG1 PRO 66 -5.319 -4.266 14.359 456 2HG PRO 66 HG2 PRO 66 -3.625 -4.226 13.846 457 1HD PRO 66 HD1 PRO 66 -5.190 -1.998 14.656 458 2HD PRO 66 HD2 PRO 66 -3.610 -1.927 13.846 No H/Q in entry = 458 Start of MODEL 2 1 1H ARG 1 HT2 ARG 1 2.053 15.738 -0.941 2 2H ARG 1 HT3 ARG 1 3.033 16.121 -2.276 3 3H ARG 1 HT1 ARG 1 1.621 15.208 -2.496 4 HA ARG 1 HA ARG 1 2.940 13.450 -2.419 5 1HB ARG 1 HB1 ARG 1 4.932 14.773 -2.719 6 2HB ARG 1 HB2 ARG 1 4.885 15.311 -1.038 7 1HG ARG 1 HG1 ARG 1 4.775 12.487 -1.009 8 2HG ARG 1 HG2 ARG 1 6.058 12.939 -2.132 9 1HD ARG 1 HD1 ARG 1 6.715 14.638 -0.228 10 2HD ARG 1 HD2 ARG 1 5.799 13.537 0.801 11 HE ARG 1 HE ARG 1 7.640 12.023 -0.784 12 1HH1 ARG 1 HH11 ARG 1 6.997 12.903 2.327 13 2HH1 ARG 1 HH12 ARG 1 8.639 12.939 2.875 14 1HH2 ARG 1 HH21 ARG 1 9.987 12.657 -0.307 15 2HH2 ARG 1 HH22 ARG 1 10.332 12.799 1.384 16 H GLU 2 HN GLU 2 2.034 11.950 -1.087 17 HA GLU 2 HA GLU 2 2.400 12.283 1.854 18 1HB GLU 2 HB1 GLU 2 -0.117 11.411 0.403 19 2HB GLU 2 HB2 GLU 2 0.121 11.276 2.147 20 1HG GLU 2 HG1 GLU 2 0.826 13.900 1.641 21 2HG GLU 2 HG2 GLU 2 -0.509 13.638 0.517 22 H CYS 3 HN CYS 3 1.949 10.055 2.946 23 HA CYS 3 HA CYS 3 2.243 7.729 3.027 24 1HB CYS 3 HB1 CYS 3 2.912 7.716 0.082 25 2HB CYS 3 HB2 CYS 3 2.269 6.404 1.067 26 H TYR 4 HN TYR 4 4.539 8.857 0.540 27 HA TYR 4 HA TYR 4 6.875 8.460 0.444 28 1HB TYR 4 HB1 TYR 4 7.893 9.588 2.627 29 2HB TYR 4 HB2 TYR 4 7.075 10.564 1.410 30 HD1 TYR 4 HD1 TYR 4 6.752 8.975 4.742 31 HD2 TYR 4 HD2 TYR 4 4.872 11.531 1.844 32 HE1 TYR 4 HE1 TYR 4 5.084 9.674 6.441 33 HE2 TYR 4 HE2 TYR 4 3.204 12.230 3.543 34 HH TYR 4 HH TYR 4 3.332 12.273 6.334 35 H LEU 5 HN LEU 5 8.754 8.027 2.505 36 HA LEU 5 HA LEU 5 9.656 6.259 3.739 37 1HB LEU 5 HB1 LEU 5 6.761 6.139 4.403 38 2HB LEU 5 HB2 LEU 5 7.838 4.899 5.014 39 HG LEU 5 HG LEU 5 8.244 7.891 5.360 40 1HD1 LEU 5 HD13 LEU 5 6.623 5.953 6.831 41 2HD1 LEU 5 HD12 LEU 5 7.834 6.720 7.859 42 3HD1 LEU 5 HD11 LEU 5 6.673 7.710 6.977 43 1HD2 LEU 5 HD22 LEU 5 9.715 5.419 6.276 44 2HD2 LEU 5 HD23 LEU 5 10.365 6.868 5.510 45 3HD2 LEU 5 HD21 LEU 5 9.830 6.924 7.190 46 H ASN 6 HN ASN 6 10.296 5.242 1.678 47 HA ASN 6 HA ASN 6 8.541 2.908 1.062 48 1HB ASN 6 HB1 ASN 6 8.591 4.563 -0.774 49 2HB ASN 6 HB2 ASN 6 10.345 4.384 -0.866 50 1HD2 ASN 6 HD22 ASN 6 7.922 1.538 -2.499 51 2HD2 ASN 6 HD21 ASN 6 7.268 2.855 -1.651 52 HA PRO 7 HA PRO 7 12.747 1.292 2.188 53 1HB PRO 7 HB1 PRO 7 11.944 -0.074 4.440 54 2HB PRO 7 HB2 PRO 7 12.560 1.589 4.477 55 1HG PRO 7 HG1 PRO 7 9.749 0.589 4.742 56 2HG PRO 7 HG2 PRO 7 10.483 2.058 5.409 57 1HD PRO 7 HD1 PRO 7 8.818 1.918 3.117 58 2HD PRO 7 HD2 PRO 7 9.838 3.294 3.589 59 H HIS 8 HN HIS 8 9.475 -0.012 2.336 60 HA HIS 8 HA HIS 8 10.178 -2.190 0.539 61 1HB HIS 8 HB1 HIS 8 10.834 -3.313 2.566 62 2HB HIS 8 HB2 HIS 8 9.413 -2.725 3.425 63 HD1 HIS 8 HD1 HIS 8 7.240 -4.037 3.167 64 HD2 HIS 8 HD2 HIS 8 10.252 -5.407 0.633 65 HE1 HIS 8 HE1 HIS 8 6.356 -6.155 2.091 66 H ASP 9 HN ASP 9 8.417 0.140 0.697 67 HA ASP 9 HA ASP 9 6.151 -0.819 -0.627 68 1HB ASP 9 HB1 ASP 9 4.414 -0.614 1.231 69 2HB ASP 9 HB2 ASP 9 5.459 -2.025 1.346 70 H THR 10 HN THR 10 4.109 0.858 0.190 71 HA THR 10 HA THR 10 3.394 3.074 0.297 72 HB THR 10 HB THR 10 6.024 4.326 0.683 73 HG1 THR 10 HG1 THR 10 5.143 2.762 2.819 74 1HG2 THR 10 HG22 THR 10 3.268 4.387 1.751 75 2HG2 THR 10 HG21 THR 10 4.536 4.764 2.916 76 3HG2 THR 10 HG23 THR 10 4.387 5.713 1.436 77 H GLN 11 HN GLN 11 4.019 5.328 -0.735 78 HA GLN 11 HA GLN 11 5.707 5.542 -2.968 79 1HB GLN 11 HB1 GLN 11 4.488 3.839 -4.119 80 2HB GLN 11 HB2 GLN 11 2.942 4.486 -3.574 81 1HG GLN 11 HG1 GLN 11 2.833 5.879 -5.335 82 2HG GLN 11 HG2 GLN 11 4.440 6.517 -4.988 83 1HE2 GLN 11 HE22 GLN 11 5.943 4.716 -7.615 84 2HE2 GLN 11 HE21 GLN 11 6.077 5.945 -6.452 85 H THR 12 HN THR 12 5.906 7.706 -2.546 86 HA THR 12 HA THR 12 4.181 9.498 -1.450 87 HB THR 12 HB THR 12 5.353 11.267 -2.591 88 HG1 THR 12 HG1 THR 12 6.789 10.604 -4.338 89 1HG2 THR 12 HG21 THR 12 6.581 9.833 -0.916 90 2HG2 THR 12 HG23 THR 12 7.269 8.947 -2.277 91 3HG2 THR 12 HG22 THR 12 7.624 10.661 -2.072 92 H CYS 13 HN CYS 13 2.947 11.292 -2.477 93 HA CYS 13 HA CYS 13 1.585 10.607 -5.017 94 1HB CYS 13 HB1 CYS 13 0.106 9.608 -3.400 95 2HB CYS 13 HB2 CYS 13 0.234 11.003 -2.332 96 HA PRO 14 HA PRO 14 2.549 15.100 -4.349 97 1HB PRO 14 HB1 PRO 14 4.197 15.341 -6.543 98 2HB PRO 14 HB2 PRO 14 4.772 14.916 -4.921 99 1HG PRO 14 HG1 PRO 14 4.415 13.179 -7.330 100 2HG PRO 14 HG2 PRO 14 5.530 12.987 -5.968 101 1HD PRO 14 HD1 PRO 14 3.084 11.590 -6.353 102 2HD PRO 14 HD2 PRO 14 4.042 11.630 -4.858 103 H SER 15 HN SER 15 1.525 13.136 -7.062 104 HA SER 15 HA SER 15 -0.133 15.422 -8.017 105 1HB SER 15 HB1 SER 15 0.426 15.042 -10.297 106 2HB SER 15 HB2 SER 15 1.968 15.032 -9.445 107 HG SER 15 HG SER 15 2.077 12.871 -9.581 108 H GLY 16 HN GLY 16 -2.239 14.804 -8.151 109 1HA GLY 16 HA1 GLY 16 -3.699 13.000 -9.282 110 2HA GLY 16 HA2 GLY 16 -2.811 11.872 -8.256 111 H GLN 17 HN GLN 17 -4.624 11.220 -7.040 112 HA GLN 17 HA GLN 17 -6.470 13.091 -5.841 113 1HB GLN 17 HB1 GLN 17 -5.852 10.218 -5.087 114 2HB GLN 17 HB2 GLN 17 -7.268 11.135 -4.570 115 1HG GLN 17 HG1 GLN 17 -6.840 11.152 -7.481 116 2HG GLN 17 HG2 GLN 17 -7.153 9.548 -6.819 117 1HE2 GLN 17 HE22 GLN 17 -10.427 11.276 -7.547 118 2HE2 GLN 17 HE21 GLN 17 -9.064 10.914 -8.492 119 H GLU 18 HN GLU 18 -6.521 12.065 -3.141 120 HA GLU 18 HA GLU 18 -3.898 12.990 -2.064 121 1HB GLU 18 HB1 GLU 18 -6.617 13.902 -1.072 122 2HB GLU 18 HB2 GLU 18 -5.055 14.371 -0.400 123 1HG GLU 18 HG1 GLU 18 -5.130 14.822 -3.268 124 2HG GLU 18 HG2 GLU 18 -6.453 15.667 -2.463 125 H ILE 19 HN ILE 19 -5.792 10.448 -2.289 126 HA ILE 19 HA ILE 19 -5.763 9.700 0.597 127 HB ILE 19 HB ILE 19 -6.910 8.107 -1.689 128 1HG1 ILE 19 HG11 ILE 19 -7.721 10.690 -0.963 129 2HG1 ILE 19 HG12 ILE 19 -8.658 9.530 -1.891 130 1HG2 ILE 19 HG21 ILE 19 -7.299 8.155 1.311 131 2HG2 ILE 19 HG22 ILE 19 -8.397 7.305 0.223 132 3HG2 ILE 19 HG23 ILE 19 -6.700 6.828 0.317 133 1HD1 ILE 19 HD11 ILE 19 -8.685 9.669 1.137 134 2HD1 ILE 19 HD12 ILE 19 -9.871 10.472 0.108 135 3HD1 ILE 19 HD13 ILE 19 -9.751 8.713 0.108 136 H CYS 20 HN CYS 20 -4.939 7.567 1.121 137 HA CYS 20 HA CYS 20 -2.816 6.646 -0.773 138 1HB CYS 20 HB1 CYS 20 -2.119 7.996 1.387 139 2HB CYS 20 HB2 CYS 20 -2.417 6.459 2.196 140 H TYR 21 HN TYR 21 -3.296 4.569 -1.368 141 HA TYR 21 HA TYR 21 -4.795 2.906 0.610 142 1HB TYR 21 HB1 TYR 21 -5.641 1.636 -1.177 143 2HB TYR 21 HB2 TYR 21 -5.585 3.258 -1.864 144 HD1 TYR 21 HD1 TYR 21 -3.676 3.912 -3.365 145 HD2 TYR 21 HD2 TYR 21 -4.265 -0.119 -2.006 146 HE1 TYR 21 HE1 TYR 21 -2.163 3.089 -5.152 147 HE2 TYR 21 HE2 TYR 21 -2.758 -0.944 -3.794 148 HH TYR 21 HH TYR 21 -1.878 0.846 -6.426 149 H VAL 22 HN VAL 22 -3.962 0.715 1.031 150 HA VAL 22 HA VAL 22 -1.053 0.508 0.361 151 HB VAL 22 HB VAL 22 -0.611 -0.339 2.556 152 1HG1 VAL 22 HG13 VAL 22 -2.526 2.014 2.631 153 2HG1 VAL 22 HG12 VAL 22 -1.532 1.519 4.000 154 3HG1 VAL 22 HG11 VAL 22 -0.768 2.080 2.514 155 1HG2 VAL 22 HG23 VAL 22 -3.557 -0.733 2.564 156 2HG2 VAL 22 HG22 VAL 22 -2.283 -1.747 3.244 157 3HG2 VAL 22 HG21 VAL 22 -2.813 -0.302 4.104 158 H LYS 23 HN LYS 23 -0.800 -1.146 -1.032 159 HA LYS 23 HA LYS 23 -2.496 -3.583 -0.686 160 1HB LYS 23 HB1 LYS 23 -1.687 -4.075 -3.076 161 2HB LYS 23 HB2 LYS 23 -2.823 -2.741 -2.891 162 1HG LYS 23 HG1 LYS 23 -1.053 -1.113 -3.050 163 2HG LYS 23 HG2 LYS 23 0.186 -2.361 -2.940 164 1HD LYS 23 HD1 LYS 23 -0.759 -3.338 -5.079 165 2HD LYS 23 HD2 LYS 23 -1.759 -1.890 -5.211 166 1HE LYS 23 HE1 LYS 23 0.283 -0.491 -5.173 167 2HE LYS 23 HE2 LYS 23 1.273 -1.945 -5.059 168 1HZ LYS 23 HZ2 LYS 23 -0.011 -2.631 -7.172 169 2HZ LYS 23 HZ3 LYS 23 -0.338 -0.970 -7.321 170 3HZ LYS 23 HZ1 LYS 23 1.267 -1.520 -7.306 171 H SER 24 HN SER 24 -1.456 -5.393 0.059 172 HA SER 24 HA SER 24 1.486 -5.582 -0.386 173 1HB SER 24 HB1 SER 24 1.475 -6.635 2.017 174 2HB SER 24 HB2 SER 24 1.494 -4.883 1.842 175 HG SER 24 HG SER 24 -0.283 -4.888 2.918 176 H TRP 25 HN TRP 25 1.737 -7.411 -1.611 177 HA TRP 25 HA TRP 25 0.491 -9.932 -0.604 178 1HB TRP 25 HB1 TRP 25 -0.397 -10.486 -2.812 179 2HB TRP 25 HB2 TRP 25 -1.061 -8.933 -2.287 180 HD1 TRP 25 HD1 TRP 25 1.067 -10.485 -4.948 181 HE1 TRP 25 HE1 TRP 25 1.869 -8.642 -6.577 182 HE3 TRP 25 HE3 TRP 25 -0.254 -6.443 -2.262 183 HZ2 TRP 25 HZ2 TRP 25 1.949 -5.749 -6.656 184 HZ3 TRP 25 HZ3 TRP 25 0.206 -4.197 -3.050 185 HH2 TRP 25 HH2 TRP 25 1.301 -3.798 -5.253 186 H CYS 26 HN CYS 26 1.354 -11.860 -1.839 187 HA CYS 26 HA CYS 26 4.006 -11.362 -3.109 188 1HB CYS 26 HB1 CYS 26 4.736 -12.038 -0.972 189 2HB CYS 26 HB2 CYS 26 3.385 -13.147 -0.757 190 H ASN 27 HN ASN 27 4.468 -12.873 -4.776 191 HA ASN 27 HA ASN 27 2.151 -14.606 -5.510 192 1HB ASN 27 HB1 ASN 27 3.034 -14.490 -7.818 193 2HB ASN 27 HB2 ASN 27 2.722 -12.879 -7.174 194 1HD2 ASN 27 HD22 ASN 27 6.106 -12.756 -8.694 195 2HD2 ASN 27 HD21 ASN 27 4.516 -12.965 -9.252 196 H ALA 28 HN ALA 28 3.598 -16.222 -7.379 197 HA ALA 28 HA ALA 28 4.918 -18.013 -5.455 198 1HB ALA 28 HB3 ALA 28 3.292 -18.505 -7.584 199 2HB ALA 28 HB2 ALA 28 4.878 -18.759 -8.313 200 3HB ALA 28 HB1 ALA 28 4.398 -19.697 -6.899 201 H TRP 29 HN TRP 29 6.179 -15.439 -6.459 202 HA TRP 29 HA TRP 29 8.693 -16.683 -7.465 203 1HB TRP 29 HB1 TRP 29 7.647 -13.968 -8.203 204 2HB TRP 29 HB2 TRP 29 9.046 -14.783 -8.862 205 HD1 TRP 29 HD1 TRP 29 5.309 -15.796 -8.388 206 HE1 TRP 29 HE1 TRP 29 4.549 -16.914 -10.595 207 HE3 TRP 29 HE3 TRP 29 9.608 -15.452 -10.997 208 HZ2 TRP 29 HZ2 TRP 29 5.674 -17.578 -13.168 209 HZ3 TRP 29 HZ3 TRP 29 9.790 -16.327 -13.332 210 HH2 TRP 29 HH2 TRP 29 7.820 -17.390 -14.413 211 H CYS 30 HN CYS 30 7.387 -15.097 -4.817 212 HA CYS 30 HA CYS 30 9.411 -13.152 -4.269 213 1HB CYS 30 HB1 CYS 30 7.955 -14.654 -2.114 214 2HB CYS 30 HB2 CYS 30 8.469 -12.976 -2.144 215 H SER 31 HN SER 31 9.752 -16.466 -4.543 216 HA SER 31 HA SER 31 11.150 -17.471 -2.414 217 1HB SER 31 HB1 SER 31 10.882 -18.294 -4.956 218 2HB SER 31 HB2 SER 31 12.552 -17.737 -5.033 219 HG SER 31 HG SER 31 13.162 -19.207 -3.609 220 H SER 32 HN SER 32 12.193 -15.880 -1.194 221 HA SER 32 HA SER 32 13.791 -14.232 -0.677 222 1HB SER 32 HB1 SER 32 15.719 -15.876 -2.260 223 2HB SER 32 HB2 SER 32 15.943 -15.096 -0.697 224 HG SER 32 HG SER 32 14.500 -16.616 0.200 225 H ARG 33 HN ARG 33 12.586 -12.969 -2.331 226 HA ARG 33 HA ARG 33 14.560 -11.933 -4.311 227 1HB ARG 33 HB1 ARG 33 11.911 -13.112 -4.890 228 2HB ARG 33 HB2 ARG 33 12.228 -11.568 -5.682 229 1HG ARG 33 HG1 ARG 33 14.559 -13.298 -5.803 230 2HG ARG 33 HG2 ARG 33 13.147 -14.095 -6.498 231 1HD ARG 33 HD1 ARG 33 13.771 -12.917 -8.362 232 2HD ARG 33 HD2 ARG 33 12.859 -11.629 -7.577 233 HE ARG 33 HE ARG 33 15.814 -11.885 -7.190 234 1HH1 ARG 33 HH21 ARG 33 13.311 -10.275 -8.815 235 2HH1 ARG 33 HH22 ARG 33 13.936 -8.684 -8.537 236 1HH2 ARG 33 HH11 ARG 33 16.485 -9.765 -6.448 237 2HH2 ARG 33 HH12 ARG 33 15.734 -8.395 -7.196 238 H GLY 34 HN GLY 34 11.223 -10.903 -4.250 239 1HA GLY 34 HA1 GLY 34 11.488 -8.823 -2.294 240 2HA GLY 34 HA2 GLY 34 11.806 -8.173 -3.904 241 H LYS 35 HN LYS 35 9.389 -9.787 -1.893 242 HA LYS 35 HA LYS 35 7.249 -10.110 -3.617 243 1HB LYS 35 HB1 LYS 35 7.095 -8.858 -0.856 244 2HB LYS 35 HB2 LYS 35 5.770 -9.649 -1.711 245 1HG LYS 35 HG1 LYS 35 6.569 -11.740 -1.260 246 2HG LYS 35 HG2 LYS 35 8.249 -11.249 -1.472 247 1HD LYS 35 HD1 LYS 35 8.342 -10.315 0.734 248 2HD LYS 35 HD2 LYS 35 6.594 -10.436 0.931 249 1HE LYS 35 HE1 LYS 35 6.661 -12.749 1.239 250 2HE LYS 35 HE2 LYS 35 8.187 -12.920 0.373 251 1HZ LYS 35 HZ3 LYS 35 8.910 -11.351 2.408 252 2HZ LYS 35 HZ1 LYS 35 7.701 -12.277 3.153 253 3HZ LYS 35 HZ2 LYS 35 9.032 -13.045 2.428 254 H VAL 36 HN VAL 36 5.334 -8.643 -3.954 255 HA VAL 36 HA VAL 36 6.299 -5.910 -4.641 256 HB VAL 36 HB VAL 36 3.581 -6.798 -5.441 257 1HG1 VAL 36 HG12 VAL 36 5.911 -5.507 -6.886 258 2HG1 VAL 36 HG11 VAL 36 4.304 -5.748 -7.571 259 3HG1 VAL 36 HG13 VAL 36 4.524 -4.667 -6.194 260 1HG2 VAL 36 HG21 VAL 36 6.106 -8.061 -6.539 261 2HG2 VAL 36 HG23 VAL 36 4.764 -8.893 -5.755 262 3HG2 VAL 36 HG22 VAL 36 4.534 -8.143 -7.334 263 H LEU 37 HN LEU 37 6.140 -5.534 -2.200 264 HA LEU 37 HA LEU 37 3.337 -5.069 -1.355 265 1HB LEU 37 HB1 LEU 37 5.841 -5.855 -0.003 266 2HB LEU 37 HB2 LEU 37 4.818 -4.729 0.890 267 HG LEU 37 HG LEU 37 2.918 -6.217 0.602 268 1HD1 LEU 37 HD12 LEU 37 3.594 -7.124 -1.609 269 2HD1 LEU 37 HD11 LEU 37 4.844 -8.074 -0.807 270 3HD1 LEU 37 HD13 LEU 37 3.142 -8.395 -0.476 271 1HD2 LEU 37 HD23 LEU 37 4.403 -6.583 2.534 272 2HD2 LEU 37 HD22 LEU 37 3.665 -8.089 1.987 273 3HD2 LEU 37 HD21 LEU 37 5.341 -7.727 1.574 274 H GLU 38 HN GLU 38 2.958 -3.014 -2.258 275 HA GLU 38 HA GLU 38 4.404 -0.824 -0.882 276 1HB GLU 38 HB1 GLU 38 3.978 0.324 -3.324 277 2HB GLU 38 HB2 GLU 38 5.523 -0.336 -2.790 278 1HG GLU 38 HG1 GLU 38 5.062 -2.454 -3.872 279 2HG GLU 38 HG2 GLU 38 3.406 -1.964 -4.235 280 H PHE 39 HN PHE 39 3.239 1.280 -1.342 281 HA PHE 39 HA PHE 39 0.316 0.830 -1.483 282 1HB PHE 39 HB1 PHE 39 1.575 2.951 0.252 283 2HB PHE 39 HB2 PHE 39 -0.030 2.236 0.385 284 HD1 PHE 39 HD1 PHE 39 0.442 -0.614 0.212 285 HD2 PHE 39 HD2 PHE 39 2.774 2.385 2.218 286 HE1 PHE 39 HE1 PHE 39 1.334 -2.342 1.745 287 HE2 PHE 39 HE2 PHE 39 3.670 0.651 3.757 288 HZ PHE 39 HZ PHE 39 2.952 -1.721 3.516 289 H GLY 40 HN GLY 40 -0.534 3.441 -1.643 290 1HA GLY 40 HA1 GLY 40 1.186 5.061 -3.299 291 2HA GLY 40 HA2 GLY 40 0.038 4.162 -4.289 292 H CYS 41 HN CYS 41 -0.877 6.234 -4.887 293 HA CYS 41 HA CYS 41 -2.299 7.701 -2.749 294 1HB CYS 41 HB1 CYS 41 -0.905 8.701 -4.736 295 2HB CYS 41 HB2 CYS 41 -2.354 8.397 -5.669 296 H ALA 42 HN ALA 42 -4.527 8.499 -3.796 297 HA ALA 42 HA ALA 42 -6.050 6.888 -5.510 298 1HB ALA 42 HB3 ALA 42 -5.539 5.646 -2.902 299 2HB ALA 42 HB2 ALA 42 -7.250 5.733 -3.316 300 3HB ALA 42 HB1 ALA 42 -6.121 4.919 -4.399 301 H ALA 43 HN ALA 43 -8.487 6.838 -4.680 302 HA ALA 43 HA ALA 43 -9.060 9.582 -3.696 303 1HB ALA 43 HB2 ALA 43 -9.778 8.763 -6.059 304 2HB ALA 43 HB1 ALA 43 -11.019 7.857 -5.192 305 3HB ALA 43 HB3 ALA 43 -10.965 9.616 -5.071 306 H THR 44 HN THR 44 -10.164 6.189 -3.483 307 HA THR 44 HA THR 44 -11.101 6.770 -0.733 308 HB THR 44 HB THR 44 -13.110 7.101 -2.061 309 HG1 THR 44 HG1 THR 44 -13.938 6.044 -0.457 310 1HG2 THR 44 HG22 THR 44 -11.942 4.981 -3.632 311 2HG2 THR 44 HG21 THR 44 -13.593 4.554 -3.182 312 3HG2 THR 44 HG23 THR 44 -13.276 6.058 -4.045 313 H CYS 45 HN CYS 45 -10.640 5.091 0.614 314 HA CYS 45 HA CYS 45 -8.930 3.082 0.181 315 1HB CYS 45 HB1 CYS 45 -10.017 3.705 2.353 316 2HB CYS 45 HB2 CYS 45 -11.411 2.750 1.864 317 HA PRO 46 HA PRO 46 -11.206 0.455 -2.652 318 1HB PRO 46 HB1 PRO 46 -9.120 -1.264 -3.169 319 2HB PRO 46 HB2 PRO 46 -9.298 0.326 -3.930 320 1HG PRO 46 HG1 PRO 46 -7.374 -0.557 -1.849 321 2HG PRO 46 HG2 PRO 46 -7.278 0.830 -2.941 322 1HD PRO 46 HD1 PRO 46 -8.051 0.811 -0.164 323 2HD PRO 46 HD2 PRO 46 -7.999 2.203 -1.266 324 H SER 47 HN SER 47 -11.953 -1.810 -2.661 325 HA SER 47 HA SER 47 -11.349 -3.304 -0.148 326 1HB SER 47 HB1 SER 47 -13.661 -1.961 -0.396 327 2HB SER 47 HB2 SER 47 -14.117 -3.439 -1.238 328 HG SER 47 HG SER 47 -13.557 -4.633 0.558 329 H VAL 48 HN VAL 48 -10.148 -3.843 -2.627 330 HA VAL 48 HA VAL 48 -11.624 -6.226 -3.625 331 HB VAL 48 HB VAL 48 -9.250 -4.897 -4.862 332 1HG1 VAL 48 HG13 VAL 48 -9.716 -7.228 -5.551 333 2HG1 VAL 48 HG12 VAL 48 -11.357 -6.752 -5.987 334 3HG1 VAL 48 HG11 VAL 48 -9.982 -6.096 -6.875 335 1HG2 VAL 48 HG23 VAL 48 -11.872 -3.868 -4.611 336 2HG2 VAL 48 HG22 VAL 48 -10.578 -3.249 -5.637 337 3HG2 VAL 48 HG21 VAL 48 -11.715 -4.438 -6.273 338 H ASN 49 HN ASN 49 -11.005 -7.834 -2.158 339 HA ASN 49 HA ASN 49 -8.224 -8.085 -1.352 340 1HB ASN 49 HB1 ASN 49 -10.109 -8.622 0.193 341 2HB ASN 49 HB2 ASN 49 -10.530 -9.978 -0.855 342 1HD2 ASN 49 HD22 ASN 49 -8.339 -11.434 1.731 343 2HD2 ASN 49 HD21 ASN 49 -9.917 -10.818 1.625 344 H THR 50 HN THR 50 -8.539 -8.307 -4.176 345 HA THR 50 HA THR 50 -8.669 -11.064 -5.013 346 HB THR 50 HB THR 50 -9.036 -9.386 -6.684 347 HG1 THR 50 HG1 THR 50 -7.686 -11.233 -7.250 348 1HG2 THR 50 HG23 THR 50 -6.897 -8.056 -5.279 349 2HG2 THR 50 HG22 THR 50 -6.538 -8.110 -7.005 350 3HG2 THR 50 HG21 THR 50 -8.043 -7.385 -6.441 351 H GLY 51 HN GLY 51 -7.235 -12.134 -3.483 352 1HA GLY 51 HA1 GLY 51 -5.145 -12.876 -2.684 353 2HA GLY 51 HA2 GLY 51 -4.665 -12.733 -4.377 354 H THR 52 HN THR 52 -5.757 -9.908 -2.663 355 HA THR 52 HA THR 52 -2.941 -9.019 -2.250 356 HB THR 52 HB THR 52 -5.125 -7.549 -3.749 357 HG1 THR 52 HG1 THR 52 -3.202 -7.381 -5.196 358 1HG2 THR 52 HG22 THR 52 -2.462 -6.503 -2.745 359 2HG2 THR 52 HG21 THR 52 -3.576 -5.629 -3.797 360 3HG2 THR 52 HG23 THR 52 -4.048 -6.023 -2.143 361 H GLU 53 HN GLU 53 -2.686 -7.981 -0.295 362 HA GLU 53 HA GLU 53 -5.089 -7.643 1.374 363 1HB GLU 53 HB1 GLU 53 -2.241 -7.003 2.155 364 2HB GLU 53 HB2 GLU 53 -3.592 -7.411 3.213 365 1HG GLU 53 HG1 GLU 53 -3.361 -9.556 1.392 366 2HG GLU 53 HG2 GLU 53 -1.714 -9.175 1.896 367 H ILE 54 HN ILE 54 -6.159 -5.769 0.639 368 HA ILE 54 HA ILE 54 -4.528 -3.306 0.398 369 HB ILE 54 HB ILE 54 -6.864 -4.331 -0.942 370 1HG1 ILE 54 HG11 ILE 54 -5.780 -1.638 -1.563 371 2HG1 ILE 54 HG12 ILE 54 -4.640 -2.983 -1.618 372 1HG2 ILE 54 HG21 ILE 54 -7.263 -1.802 0.591 373 2HG2 ILE 54 HG22 ILE 54 -8.031 -2.001 -0.975 374 3HG2 ILE 54 HG23 ILE 54 -8.388 -3.127 0.337 375 1HD1 ILE 54 HD13 ILE 54 -7.312 -2.954 -3.054 376 2HD1 ILE 54 HD11 ILE 54 -5.775 -2.547 -3.816 377 3HD1 ILE 54 HD12 ILE 54 -6.049 -4.176 -3.199 378 H LYS 55 HN LYS 55 -5.145 -1.413 1.610 379 HA LYS 55 HA LYS 55 -7.139 -1.730 3.747 380 1HB LYS 55 HB1 LYS 55 -5.608 -2.364 5.291 381 2HB LYS 55 HB2 LYS 55 -4.279 -2.091 4.172 382 1HG LYS 55 HG1 LYS 55 -4.453 0.376 4.707 383 2HG LYS 55 HG2 LYS 55 -5.592 -0.053 5.983 384 1HD LYS 55 HD1 LYS 55 -2.788 -1.181 5.757 385 2HD LYS 55 HD2 LYS 55 -3.232 0.171 6.800 386 1HE LYS 55 HE1 LYS 55 -5.118 -1.593 7.564 387 2HE LYS 55 HE2 LYS 55 -3.862 -2.729 7.072 388 1HZ LYS 55 HZ3 LYS 55 -3.026 -0.463 8.702 389 2HZ LYS 55 HZ1 LYS 55 -3.947 -1.656 9.479 390 3HZ LYS 55 HZ2 LYS 55 -2.486 -2.073 8.720 391 H CYS 56 HN CYS 56 -7.079 0.475 5.075 392 HA CYS 56 HA CYS 56 -6.956 2.622 3.022 393 1HB CYS 56 HB1 CYS 56 -8.138 2.932 5.776 394 2HB CYS 56 HB2 CYS 56 -8.571 3.770 4.285 395 H CYS 57 HN CYS 57 -5.370 4.127 3.135 396 HA CYS 57 HA CYS 57 -3.982 4.579 5.733 397 1HB CYS 57 HB1 CYS 57 -2.708 2.873 4.489 398 2HB CYS 57 HB2 CYS 57 -2.612 3.953 3.102 399 H SER 58 HN SER 58 -2.957 6.617 5.879 400 HA SER 58 HA SER 58 -3.440 8.444 3.601 401 1HB SER 58 HB1 SER 58 -4.086 10.227 5.243 402 2HB SER 58 HB2 SER 58 -5.235 8.894 5.165 403 HG SER 58 HG SER 58 -3.423 9.560 7.172 404 H ALA 59 HN ALA 59 -1.340 7.284 5.966 405 HA ALA 59 HA ALA 59 0.788 9.012 4.966 406 1HB ALA 59 HB1 ALA 59 -0.263 9.386 7.780 407 2HB ALA 59 HB3 ALA 59 1.324 9.949 7.257 408 3HB ALA 59 HB2 ALA 59 -0.134 10.606 6.512 409 H ASP 60 HN ASP 60 1.428 8.246 8.174 410 HA ASP 60 HA ASP 60 2.902 5.816 7.339 411 1HB ASP 60 HB1 ASP 60 4.108 7.652 8.589 412 2HB ASP 60 HB2 ASP 60 3.049 7.337 9.966 413 H LYS 61 HN LYS 61 0.044 5.899 7.630 414 HA LYS 61 HA LYS 61 -0.377 4.208 10.025 415 1HB LYS 61 HB1 LYS 61 -1.876 6.065 10.086 416 2HB LYS 61 HB2 LYS 61 -2.257 5.894 8.372 417 1HG LYS 61 HG1 LYS 61 -3.523 3.922 8.741 418 2HG LYS 61 HG2 LYS 61 -2.848 3.693 10.354 419 1HD LYS 61 HD1 LYS 61 -4.276 6.257 9.874 420 2HD LYS 61 HD2 LYS 61 -5.276 4.804 9.926 421 1HE LYS 61 HE1 LYS 61 -5.184 4.936 12.177 422 2HE LYS 61 HE2 LYS 61 -3.474 4.521 12.060 423 1HZ LYS 61 HZ1 LYS 61 -3.358 7.098 11.491 424 2HZ LYS 61 HZ2 LYS 61 -4.734 7.110 12.488 425 3HZ LYS 61 HZ3 LYS 61 -3.259 6.506 13.077 426 H CYS 62 HN CYS 62 0.354 3.899 6.878 427 HA CYS 62 HA CYS 62 -1.555 2.170 5.746 428 1HB CYS 62 HB1 CYS 62 1.460 2.040 5.461 429 2HB CYS 62 HB2 CYS 62 0.298 1.294 4.369 430 H ASN 63 HN ASN 63 0.912 1.525 8.172 431 HA ASN 63 HA ASN 63 -0.177 -1.234 8.409 432 1HB ASN 63 HB1 ASN 63 2.136 -1.908 9.128 433 2HB ASN 63 HB2 ASN 63 2.035 -1.408 7.441 434 1HD2 ASN 63 HD22 ASN 63 4.929 0.476 8.590 435 2HD2 ASN 63 HD21 ASN 63 4.515 -1.072 8.030 436 H THR 64 HN THR 64 -1.582 -0.316 10.092 437 HA THR 64 HA THR 64 -0.195 -0.231 12.701 438 HB THR 64 HB THR 64 -2.115 1.865 12.775 439 HG1 THR 64 HG1 THR 64 -1.785 2.044 10.536 440 1HG2 THR 64 HG21 THR 64 0.778 1.381 13.203 441 2HG2 THR 64 HG23 THR 64 0.294 3.063 12.980 442 3HG2 THR 64 HG22 THR 64 -0.416 2.106 14.281 443 H TYR 65 HN TYR 65 -1.527 -0.945 14.383 444 HA TYR 65 HA TYR 65 -3.503 -2.743 14.036 445 1HB TYR 65 HB1 TYR 65 -2.445 -1.849 16.227 446 2HB TYR 65 HB2 TYR 65 -3.802 -0.722 16.247 447 HD1 TYR 65 HD1 TYR 65 -2.885 -4.328 16.214 448 HD2 TYR 65 HD2 TYR 65 -6.002 -1.436 16.844 449 HE1 TYR 65 HE1 TYR 65 -4.344 -6.104 17.148 450 HE2 TYR 65 HE2 TYR 65 -7.461 -3.212 17.778 451 HH TYR 65 HH TYR 65 -6.823 -5.662 18.998 452 HA PRO 66 HA PRO 66 -6.935 -0.483 12.376 453 1HB PRO 66 HB1 PRO 66 -8.858 -2.418 12.734 454 2HB PRO 66 HB2 PRO 66 -7.646 -2.461 11.442 455 1HG PRO 66 HG1 PRO 66 -7.800 -4.065 13.958 456 2HG PRO 66 HG2 PRO 66 -7.024 -4.470 12.418 457 1HD PRO 66 HD1 PRO 66 -5.740 -3.540 14.779 458 2HD PRO 66 HD2 PRO 66 -5.002 -3.694 13.172 No H/Q in entry = 458 Start of MODEL 3 1 1H ARG 1 HT1 ARG 1 2.335 15.344 -1.410 2 2H ARG 1 HT2 ARG 1 3.682 15.372 -2.444 3 3H ARG 1 HT3 ARG 1 2.285 14.515 -2.888 4 HA ARG 1 HA ARG 1 3.323 12.730 -2.089 5 1HB ARG 1 HB1 ARG 1 5.240 14.722 -1.507 6 2HB ARG 1 HB2 ARG 1 5.046 13.777 -0.029 7 1HG ARG 1 HG1 ARG 1 5.821 11.835 -1.013 8 2HG ARG 1 HG2 ARG 1 5.216 12.290 -2.609 9 1HD ARG 1 HD1 ARG 1 7.177 13.267 -3.175 10 2HD ARG 1 HD2 ARG 1 7.280 14.121 -1.635 11 HE ARG 1 HE ARG 1 8.111 11.844 -0.722 12 1HH1 ARG 1 HH11 ARG 1 7.856 10.920 -3.733 13 2HH1 ARG 1 HH12 ARG 1 9.537 10.856 -4.145 14 1HH2 ARG 1 HH21 ARG 1 10.563 12.627 -1.346 15 2HH2 ARG 1 HH22 ARG 1 11.069 11.823 -2.793 16 H GLU 2 HN GLU 2 2.049 11.516 -0.755 17 HA GLU 2 HA GLU 2 1.641 12.490 2.017 18 1HB GLU 2 HB1 GLU 2 -0.407 12.345 -0.042 19 2HB GLU 2 HB2 GLU 2 -0.809 11.319 1.335 20 1HG GLU 2 HG1 GLU 2 0.077 13.553 2.616 21 2HG GLU 2 HG2 GLU 2 -0.618 14.270 1.162 22 H CYS 3 HN CYS 3 3.341 10.467 1.070 23 HA CYS 3 HA CYS 3 2.343 8.224 2.675 24 1HB CYS 3 HB1 CYS 3 3.199 7.675 -0.176 25 2HB CYS 3 HB2 CYS 3 2.528 6.528 0.980 26 H TYR 4 HN TYR 4 4.867 9.012 0.305 27 HA TYR 4 HA TYR 4 7.179 8.517 0.369 28 1HB TYR 4 HB1 TYR 4 7.901 9.398 2.908 29 2HB TYR 4 HB2 TYR 4 7.780 10.400 1.465 30 HD1 TYR 4 HD2 TYR 4 5.786 11.800 1.058 31 HD2 TYR 4 HD1 TYR 4 6.127 9.397 4.605 32 HE1 TYR 4 HE2 TYR 4 3.909 13.054 2.088 33 HE2 TYR 4 HE1 TYR 4 4.251 10.651 5.635 34 HH TYR 4 HH TYR 4 2.186 12.020 4.632 35 H LEU 5 HN LEU 5 8.862 7.876 2.550 36 HA LEU 5 HA LEU 5 9.555 6.027 3.790 37 1HB LEU 5 HB1 LEU 5 6.604 5.903 4.105 38 2HB LEU 5 HB2 LEU 5 7.583 4.579 4.704 39 HG LEU 5 HG LEU 5 8.133 7.483 5.377 40 1HD1 LEU 5 HD11 LEU 5 5.847 6.777 6.136 41 2HD1 LEU 5 HD13 LEU 5 6.600 5.466 7.044 42 3HD1 LEU 5 HD12 LEU 5 6.943 7.143 7.468 43 1HD2 LEU 5 HD22 LEU 5 9.125 4.799 6.296 44 2HD2 LEU 5 HD23 LEU 5 10.046 6.249 5.896 45 3HD2 LEU 5 HD21 LEU 5 9.153 6.162 7.414 46 H ASN 6 HN ASN 6 10.526 5.069 1.926 47 HA ASN 6 HA ASN 6 8.846 2.912 0.725 48 1HB ASN 6 HB1 ASN 6 10.084 5.040 -0.593 49 2HB ASN 6 HB2 ASN 6 11.114 3.646 -0.920 50 1HD2 ASN 6 HD22 ASN 6 7.900 1.927 -2.117 51 2HD2 ASN 6 HD21 ASN 6 8.809 1.713 -0.699 52 HA PRO 7 HA PRO 7 12.734 1.064 2.588 53 1HB PRO 7 HB1 PRO 7 11.510 -0.234 4.691 54 2HB PRO 7 HB2 PRO 7 12.238 1.377 4.830 55 1HG PRO 7 HG1 PRO 7 9.347 0.599 4.645 56 2HG PRO 7 HG2 PRO 7 10.083 1.987 5.465 57 1HD PRO 7 HD1 PRO 7 8.780 2.063 2.965 58 2HD PRO 7 HD2 PRO 7 9.887 3.306 3.590 59 H HIS 8 HN HIS 8 9.404 -0.169 2.617 60 HA HIS 8 HA HIS 8 10.054 -2.197 0.643 61 1HB HIS 8 HB1 HIS 8 10.313 -3.984 2.020 62 2HB HIS 8 HB2 HIS 8 10.218 -2.902 3.401 63 HD1 HIS 8 HD1 HIS 8 8.035 -5.128 1.251 64 HD2 HIS 8 HD2 HIS 8 7.809 -3.030 4.848 65 HE1 HIS 8 HE1 HIS 8 5.843 -5.802 2.335 66 H ASP 9 HN ASP 9 8.335 0.157 1.163 67 HA ASP 9 HA ASP 9 5.983 -0.804 -0.161 68 1HB ASP 9 HB1 ASP 9 5.954 -0.685 2.783 69 2HB ASP 9 HB2 ASP 9 4.596 0.120 2.000 70 H THR 10 HN THR 10 4.131 1.043 0.262 71 HA THR 10 HA THR 10 3.537 3.274 -0.079 72 HB THR 10 HB THR 10 6.066 4.494 0.720 73 HG1 THR 10 HG1 THR 10 4.767 2.834 2.608 74 1HG2 THR 10 HG21 THR 10 3.172 4.598 1.289 75 2HG2 THR 10 HG23 THR 10 4.218 5.033 2.641 76 3HG2 THR 10 HG22 THR 10 4.337 5.910 1.115 77 H GLN 11 HN GLN 11 4.108 5.196 -1.445 78 HA GLN 11 HA GLN 11 6.387 4.997 -3.205 79 1HB GLN 11 HB1 GLN 11 5.350 4.399 -5.220 80 2HB GLN 11 HB2 GLN 11 4.577 3.323 -4.058 81 1HG GLN 11 HG1 GLN 11 2.933 5.472 -3.876 82 2HG GLN 11 HG2 GLN 11 3.448 5.626 -5.555 83 1HE2 GLN 11 HE22 GLN 11 0.907 3.296 -6.351 84 2HE2 GLN 11 HE21 GLN 11 1.500 4.874 -6.554 85 H THR 12 HN THR 12 4.735 6.925 -1.438 86 HA THR 12 HA THR 12 4.259 9.210 -1.440 87 HB THR 12 HB THR 12 5.709 10.553 -2.693 88 HG1 THR 12 HG1 THR 12 5.563 10.191 -4.752 89 1HG2 THR 12 HG21 THR 12 6.675 8.271 -1.455 90 2HG2 THR 12 HG23 THR 12 7.506 8.281 -3.011 91 3HG2 THR 12 HG22 THR 12 7.636 9.670 -1.932 92 H CYS 13 HN CYS 13 2.792 10.660 -2.245 93 HA CYS 13 HA CYS 13 1.451 10.015 -4.837 94 1HB CYS 13 HB1 CYS 13 -0.145 9.244 -3.261 95 2HB CYS 13 HB2 CYS 13 0.221 10.537 -2.123 96 HA PRO 14 HA PRO 14 2.793 14.401 -4.694 97 1HB PRO 14 HB1 PRO 14 3.805 14.382 -7.256 98 2HB PRO 14 HB2 PRO 14 4.746 13.939 -5.821 99 1HG PRO 14 HG1 PRO 14 3.564 12.186 -7.939 100 2HG PRO 14 HG2 PRO 14 4.983 11.905 -6.916 101 1HD PRO 14 HD1 PRO 14 2.399 10.788 -6.543 102 2HD PRO 14 HD2 PRO 14 3.722 10.776 -5.358 103 H SER 15 HN SER 15 1.856 13.162 -7.921 104 HA SER 15 HA SER 15 -0.230 15.287 -8.022 105 1HB SER 15 HB1 SER 15 1.547 14.022 -9.983 106 2HB SER 15 HB2 SER 15 -0.122 14.130 -10.533 107 HG SER 15 HG SER 15 0.030 16.212 -10.654 108 H GLY 16 HN GLY 16 -2.366 14.730 -7.998 109 1HA GLY 16 HA1 GLY 16 -3.911 12.883 -9.056 110 2HA GLY 16 HA2 GLY 16 -3.012 11.824 -7.968 111 H GLN 17 HN GLN 17 -4.979 11.348 -6.801 112 HA GLN 17 HA GLN 17 -6.593 13.424 -5.604 113 1HB GLN 17 HB1 GLN 17 -6.280 10.496 -4.875 114 2HB GLN 17 HB2 GLN 17 -7.546 11.560 -4.261 115 1HG GLN 17 HG1 GLN 17 -7.078 11.038 -7.209 116 2HG GLN 17 HG2 GLN 17 -8.242 10.142 -6.233 117 1HE2 GLN 17 HE22 GLN 17 -10.020 13.043 -7.809 118 2HE2 GLN 17 HE21 GLN 17 -9.175 11.697 -8.405 119 H GLU 18 HN GLU 18 -6.685 12.392 -2.874 120 HA GLU 18 HA GLU 18 -3.984 13.214 -1.895 121 1HB GLU 18 HB1 GLU 18 -6.705 14.126 -0.929 122 2HB GLU 18 HB2 GLU 18 -5.224 14.361 0.001 123 1HG GLU 18 HG1 GLU 18 -4.252 15.688 -1.786 124 2HG GLU 18 HG2 GLU 18 -5.616 15.332 -2.846 125 H ILE 19 HN ILE 19 -5.742 10.608 -2.148 126 HA ILE 19 HA ILE 19 -5.611 9.788 0.717 127 HB ILE 19 HB ILE 19 -6.770 8.191 -1.555 128 1HG1 ILE 19 HG11 ILE 19 -7.655 10.741 -0.866 129 2HG1 ILE 19 HG12 ILE 19 -8.608 9.517 -1.689 130 1HG2 ILE 19 HG21 ILE 19 -7.043 8.202 1.450 131 2HG2 ILE 19 HG22 ILE 19 -8.219 7.388 0.415 132 3HG2 ILE 19 HG23 ILE 19 -6.529 6.881 0.399 133 1HD1 ILE 19 HD11 ILE 19 -8.462 9.781 1.326 134 2HD1 ILE 19 HD12 ILE 19 -9.731 10.502 0.338 135 3HD1 ILE 19 HD13 ILE 19 -9.553 8.749 0.402 136 H CYS 20 HN CYS 20 -4.651 7.742 1.193 137 HA CYS 20 HA CYS 20 -2.600 6.855 -0.793 138 1HB CYS 20 HB1 CYS 20 -1.755 8.218 1.249 139 2HB CYS 20 HB2 CYS 20 -2.132 6.775 2.187 140 H TYR 21 HN TYR 21 -3.233 4.826 -1.414 141 HA TYR 21 HA TYR 21 -4.624 3.144 0.603 142 1HB TYR 21 HB1 TYR 21 -5.504 1.876 -1.140 143 2HB TYR 21 HB2 TYR 21 -5.414 3.467 -1.882 144 HD1 TYR 21 HD2 TYR 21 -2.634 3.797 -2.663 145 HD2 TYR 21 HD1 TYR 21 -5.058 0.252 -2.728 146 HE1 TYR 21 HE2 TYR 21 -1.207 2.859 -4.451 147 HE2 TYR 21 HE1 TYR 21 -3.625 -0.691 -4.519 148 HH TYR 21 HH TYR 21 -0.815 1.122 -5.766 149 H VAL 22 HN VAL 22 -3.846 0.947 1.008 150 HA VAL 22 HA VAL 22 -0.939 0.707 0.350 151 HB VAL 22 HB VAL 22 -0.552 -0.211 2.559 152 1HG1 VAL 22 HG13 VAL 22 -2.233 2.314 2.529 153 2HG1 VAL 22 HG12 VAL 22 -1.364 1.762 3.960 154 3HG1 VAL 22 HG11 VAL 22 -0.474 2.199 2.501 155 1HG2 VAL 22 HG23 VAL 22 -3.497 -0.422 2.508 156 2HG2 VAL 22 HG22 VAL 22 -2.309 -1.431 3.336 157 3HG2 VAL 22 HG21 VAL 22 -2.815 0.103 4.047 158 H LYS 23 HN LYS 23 -0.833 -0.883 -1.164 159 HA LYS 23 HA LYS 23 -2.543 -3.300 -0.820 160 1HB LYS 23 HB1 LYS 23 -2.469 -1.961 -3.023 161 2HB LYS 23 HB2 LYS 23 -0.856 -2.642 -3.236 162 1HG LYS 23 HG1 LYS 23 -1.728 -4.891 -3.193 163 2HG LYS 23 HG2 LYS 23 -3.323 -4.316 -2.705 164 1HD LYS 23 HD1 LYS 23 -3.729 -4.486 -4.961 165 2HD LYS 23 HD2 LYS 23 -3.007 -2.878 -4.968 166 1HE LYS 23 HE1 LYS 23 -0.887 -3.727 -5.647 167 2HE LYS 23 HE2 LYS 23 -1.345 -5.387 -5.265 168 1HZ LYS 23 HZ1 LYS 23 -2.924 -3.901 -7.240 169 2HZ LYS 23 HZ2 LYS 23 -1.412 -4.521 -7.707 170 3HZ LYS 23 HZ3 LYS 23 -2.622 -5.567 -7.133 171 H SER 24 HN SER 24 -1.593 -5.205 -0.210 172 HA SER 24 HA SER 24 1.355 -5.454 -0.550 173 1HB SER 24 HB1 SER 24 0.644 -6.715 1.902 174 2HB SER 24 HB2 SER 24 1.702 -5.326 1.669 175 HG SER 24 HG SER 24 -0.240 -5.024 3.022 176 H TRP 25 HN TRP 25 1.688 -7.282 -1.712 177 HA TRP 25 HA TRP 25 0.160 -9.727 -0.952 178 1HB TRP 25 HB1 TRP 25 -0.340 -10.225 -3.305 179 2HB TRP 25 HB2 TRP 25 -1.051 -8.678 -2.841 180 HD1 TRP 25 HD1 TRP 25 1.316 -10.186 -5.292 181 HE1 TRP 25 HE1 TRP 25 2.400 -8.303 -6.695 182 HE3 TRP 25 HE3 TRP 25 -0.107 -6.208 -2.533 183 HZ2 TRP 25 HZ2 TRP 25 2.628 -5.422 -6.603 184 HZ3 TRP 25 HZ3 TRP 25 0.539 -3.947 -3.145 185 HH2 TRP 25 HH2 TRP 25 1.907 -3.506 -5.184 186 H CYS 26 HN CYS 26 1.538 -11.424 -0.793 187 HA CYS 26 HA CYS 26 4.222 -11.188 -2.072 188 1HB CYS 26 HB1 CYS 26 4.730 -11.671 0.123 189 2HB CYS 26 HB2 CYS 26 3.176 -12.435 0.423 190 H ASN 27 HN ASN 27 5.082 -13.387 -2.890 191 HA ASN 27 HA ASN 27 2.891 -14.724 -4.407 192 1HB ASN 27 HB1 ASN 27 5.888 -14.760 -4.893 193 2HB ASN 27 HB2 ASN 27 4.658 -15.469 -5.941 194 1HD2 ASN 27 HD22 ASN 27 3.550 -12.286 -7.195 195 2HD2 ASN 27 HD21 ASN 27 3.039 -13.878 -6.895 196 H ALA 28 HN ALA 28 4.194 -17.136 -4.991 197 HA ALA 28 HA ALA 28 3.922 -18.474 -2.407 198 1HB ALA 28 HB3 ALA 28 4.018 -19.303 -5.249 199 2HB ALA 28 HB1 ALA 28 4.605 -20.478 -4.073 200 3HB ALA 28 HB2 ALA 28 2.958 -19.858 -3.953 201 H TRP 29 HN TRP 29 6.430 -16.946 -3.839 202 HA TRP 29 HA TRP 29 8.387 -18.627 -2.366 203 1HB TRP 29 HB1 TRP 29 8.741 -17.618 -5.177 204 2HB TRP 29 HB2 TRP 29 9.946 -18.450 -4.234 205 HD1 TRP 29 HD1 TRP 29 6.246 -19.177 -5.244 206 HE1 TRP 29 HE1 TRP 29 6.121 -21.686 -5.859 207 HE3 TRP 29 HE3 TRP 29 11.042 -20.472 -4.375 208 HZ2 TRP 29 HZ2 TRP 29 7.884 -23.968 -5.959 209 HZ3 TRP 29 HZ3 TRP 29 11.843 -22.814 -4.724 210 HH2 TRP 29 HH2 TRP 29 10.259 -24.558 -5.516 211 H CYS 30 HN CYS 30 7.091 -15.785 -2.122 212 HA CYS 30 HA CYS 30 9.241 -13.928 -2.589 213 1HB CYS 30 HB1 CYS 30 7.983 -12.320 -1.377 214 2HB CYS 30 HB2 CYS 30 6.824 -13.293 -2.275 215 H SER 31 HN SER 31 9.363 -16.447 -0.494 216 HA SER 31 HA SER 31 10.043 -15.582 2.034 217 1HB SER 31 HB1 SER 31 10.425 -17.849 1.844 218 2HB SER 31 HB2 SER 31 11.153 -17.699 0.247 219 HG SER 31 HG SER 31 12.325 -17.594 2.720 220 H SER 32 HN SER 32 10.853 -13.463 2.035 221 HA SER 32 HA SER 32 12.388 -11.725 1.676 222 1HB SER 32 HB1 SER 32 14.572 -13.735 1.961 223 2HB SER 32 HB2 SER 32 14.429 -12.133 2.676 224 HG SER 32 HG SER 32 13.595 -14.529 3.645 225 H ARG 33 HN ARG 33 11.647 -11.941 -0.595 226 HA ARG 33 HA ARG 33 14.034 -12.396 -2.334 227 1HB ARG 33 HB1 ARG 33 11.260 -13.485 -2.664 228 2HB ARG 33 HB2 ARG 33 12.204 -13.093 -4.101 229 1HG ARG 33 HG1 ARG 33 14.064 -14.437 -2.639 230 2HG ARG 33 HG2 ARG 33 12.593 -15.251 -2.105 231 1HD ARG 33 HD1 ARG 33 12.843 -16.493 -3.991 232 2HD ARG 33 HD2 ARG 33 12.193 -15.079 -4.821 233 HE ARG 33 HE ARG 33 15.054 -14.855 -4.473 234 1HH1 ARG 33 HH21 ARG 33 13.003 -17.095 -5.987 235 2HH1 ARG 33 HH22 ARG 33 13.754 -16.971 -7.542 236 1HH2 ARG 33 HH11 ARG 33 15.845 -14.364 -6.618 237 2HH2 ARG 33 HH12 ARG 33 15.365 -15.425 -7.900 238 H GLY 34 HN GLY 34 10.998 -11.579 -3.802 239 1HA GLY 34 HA1 GLY 34 11.829 -8.709 -3.880 240 2HA GLY 34 HA2 GLY 34 11.326 -9.553 -5.345 241 H LYS 35 HN LYS 35 10.029 -9.421 -2.011 242 HA LYS 35 HA LYS 35 7.334 -9.724 -2.587 243 1HB LYS 35 HB1 LYS 35 8.793 -8.143 -0.491 244 2HB LYS 35 HB2 LYS 35 7.038 -8.001 -0.607 245 1HG LYS 35 HG1 LYS 35 6.708 -10.293 -0.144 246 2HG LYS 35 HG2 LYS 35 8.377 -10.703 -0.541 247 1HD LYS 35 HD1 LYS 35 8.070 -10.739 1.889 248 2HD LYS 35 HD2 LYS 35 9.136 -9.406 1.444 249 1HE LYS 35 HE1 LYS 35 7.320 -7.813 1.643 250 2HE LYS 35 HE2 LYS 35 6.149 -9.111 1.877 251 1HZ LYS 35 HZ2 LYS 35 8.051 -9.569 3.777 252 2HZ LYS 35 HZ3 LYS 35 7.892 -7.878 3.776 253 3HZ LYS 35 HZ1 LYS 35 6.531 -8.856 4.037 254 H VAL 36 HN VAL 36 5.728 -8.449 -3.471 255 HA VAL 36 HA VAL 36 6.589 -5.795 -4.540 256 HB VAL 36 HB VAL 36 4.004 -6.861 -5.465 257 1HG1 VAL 36 HG12 VAL 36 5.285 -4.923 -6.426 258 2HG1 VAL 36 HG11 VAL 36 6.512 -6.067 -6.969 259 3HG1 VAL 36 HG13 VAL 36 4.873 -6.159 -7.614 260 1HG2 VAL 36 HG22 VAL 36 6.509 -8.496 -5.662 261 2HG2 VAL 36 HG23 VAL 36 4.835 -9.030 -5.504 262 3HG2 VAL 36 HG21 VAL 36 5.432 -8.443 -7.057 263 H LEU 37 HN LEU 37 6.135 -5.487 -1.994 264 HA LEU 37 HA LEU 37 3.260 -4.891 -1.585 265 1HB LEU 37 HB1 LEU 37 5.604 -5.484 0.179 266 2HB LEU 37 HB2 LEU 37 4.271 -4.539 0.829 267 HG LEU 37 HG LEU 37 2.712 -6.288 0.413 268 1HD1 LEU 37 HD13 LEU 37 4.927 -7.677 -1.124 269 2HD1 LEU 37 HD12 LEU 37 3.326 -8.350 -0.819 270 3HD1 LEU 37 HD11 LEU 37 3.502 -6.919 -1.832 271 1HD2 LEU 37 HD23 LEU 37 5.304 -7.486 1.394 272 2HD2 LEU 37 HD22 LEU 37 4.082 -6.687 2.382 273 3HD2 LEU 37 HD21 LEU 37 3.715 -8.224 1.598 274 H GLU 38 HN GLU 38 2.879 -2.817 -2.343 275 HA GLU 38 HA GLU 38 4.500 -0.650 -1.102 276 1HB GLU 38 HB1 GLU 38 3.650 0.169 -3.729 277 2HB GLU 38 HB2 GLU 38 5.271 0.167 -3.039 278 1HG GLU 38 HG1 GLU 38 5.490 -2.244 -3.612 279 2HG GLU 38 HG2 GLU 38 3.888 -2.199 -4.350 280 H PHE 39 HN PHE 39 3.351 1.473 -1.316 281 HA PHE 39 HA PHE 39 0.410 1.145 -1.411 282 1HB PHE 39 HB1 PHE 39 1.811 3.017 0.510 283 2HB PHE 39 HB2 PHE 39 0.126 2.499 0.536 284 HD1 PHE 39 HD2 PHE 39 0.502 -0.435 0.017 285 HD2 PHE 39 HD1 PHE 39 2.596 2.249 2.632 286 HE1 PHE 39 HE2 PHE 39 1.108 -2.342 1.476 287 HE2 PHE 39 HE1 PHE 39 3.202 0.340 4.100 288 HZ PHE 39 HZ PHE 39 2.460 -1.959 3.520 289 H GLY 40 HN GLY 40 -0.673 3.018 -2.328 290 1HA GLY 40 HA1 GLY 40 1.199 5.079 -3.399 291 2HA GLY 40 HA2 GLY 40 0.053 4.286 -4.474 292 H CYS 41 HN CYS 41 -1.076 6.167 -4.979 293 HA CYS 41 HA CYS 41 -2.340 7.666 -2.759 294 1HB CYS 41 HB1 CYS 41 -1.074 8.667 -4.833 295 2HB CYS 41 HB2 CYS 41 -2.585 8.359 -5.665 296 H ALA 42 HN ALA 42 -4.633 8.460 -3.736 297 HA ALA 42 HA ALA 42 -6.231 6.796 -5.320 298 1HB ALA 42 HB1 ALA 42 -5.645 5.669 -2.654 299 2HB ALA 42 HB3 ALA 42 -7.351 5.671 -3.103 300 3HB ALA 42 HB2 ALA 42 -6.170 4.860 -4.131 301 H ALA 43 HN ALA 43 -8.618 6.757 -4.343 302 HA ALA 43 HA ALA 43 -9.168 9.535 -3.447 303 1HB ALA 43 HB2 ALA 43 -10.126 8.089 -5.650 304 2HB ALA 43 HB1 ALA 43 -11.464 8.108 -4.501 305 3HB ALA 43 HB3 ALA 43 -10.751 9.625 -5.050 306 H THR 44 HN THR 44 -10.273 6.156 -3.087 307 HA THR 44 HA THR 44 -11.006 6.791 -0.288 308 HB THR 44 HB THR 44 -13.143 7.067 -1.241 309 HG1 THR 44 HG1 THR 44 -13.881 5.643 0.086 310 1HG2 THR 44 HG22 THR 44 -12.531 4.675 -2.999 311 2HG2 THR 44 HG21 THR 44 -14.031 5.601 -3.013 312 3HG2 THR 44 HG23 THR 44 -12.523 6.361 -3.519 313 H CYS 45 HN CYS 45 -10.815 5.017 1.082 314 HA CYS 45 HA CYS 45 -8.977 3.115 0.800 315 1HB CYS 45 HB1 CYS 45 -10.290 3.508 2.852 316 2HB CYS 45 HB2 CYS 45 -11.645 2.643 2.127 317 HA PRO 46 HA PRO 46 -10.661 0.470 -2.420 318 1HB PRO 46 HB1 PRO 46 -8.393 -1.079 -2.680 319 2HB PRO 46 HB2 PRO 46 -8.611 0.502 -3.449 320 1HG PRO 46 HG1 PRO 46 -6.882 -0.250 -1.167 321 2HG PRO 46 HG2 PRO 46 -6.791 1.163 -2.220 322 1HD PRO 46 HD1 PRO 46 -7.866 1.020 0.447 323 2HD PRO 46 HD2 PRO 46 -7.822 2.432 -0.630 324 H SER 47 HN SER 47 -10.267 -2.188 -2.690 325 HA SER 47 HA SER 47 -10.755 -3.381 0.007 326 1HB SER 47 HB1 SER 47 -12.260 -4.379 -2.386 327 2HB SER 47 HB2 SER 47 -12.708 -4.439 -0.683 328 HG SER 47 HG SER 47 -12.785 -2.057 -0.854 329 H VAL 48 HN VAL 48 -10.853 -5.950 -0.379 330 HA VAL 48 HA VAL 48 -8.289 -6.607 -1.689 331 HB VAL 48 HB VAL 48 -10.064 -8.065 0.220 332 1HG1 VAL 48 HG12 VAL 48 -7.760 -9.067 -1.425 333 2HG1 VAL 48 HG11 VAL 48 -8.082 -9.757 0.166 334 3HG1 VAL 48 HG13 VAL 48 -9.306 -9.852 -1.101 335 1HG2 VAL 48 HG23 VAL 48 -7.708 -6.396 0.396 336 2HG2 VAL 48 HG22 VAL 48 -8.739 -6.996 1.693 337 3HG2 VAL 48 HG21 VAL 48 -7.407 -7.985 1.099 338 H ASN 49 HN ASN 49 -8.846 -6.685 -3.899 339 HA ASN 49 HA ASN 49 -11.130 -8.239 -4.776 340 1HB ASN 49 HB1 ASN 49 -10.533 -6.264 -6.049 341 2HB ASN 49 HB2 ASN 49 -8.900 -6.880 -6.302 342 1HD2 ASN 49 HD22 ASN 49 -10.606 -7.798 -9.406 343 2HD2 ASN 49 HD21 ASN 49 -9.912 -6.433 -8.672 344 H THR 50 HN THR 50 -8.009 -8.514 -6.358 345 HA THR 50 HA THR 50 -8.270 -11.398 -6.546 346 HB THR 50 HB THR 50 -7.196 -10.037 -8.316 347 HG1 THR 50 HG1 THR 50 -6.102 -11.762 -8.715 348 1HG2 THR 50 HG21 THR 50 -5.728 -9.033 -6.042 349 2HG2 THR 50 HG23 THR 50 -4.609 -9.665 -7.251 350 3HG2 THR 50 HG22 THR 50 -5.771 -8.414 -7.693 351 H GLY 51 HN GLY 51 -8.350 -11.789 -4.136 352 1HA GLY 51 HA1 GLY 51 -7.314 -12.171 -2.030 353 2HA GLY 51 HA2 GLY 51 -6.223 -13.098 -3.060 354 H THR 52 HN THR 52 -6.664 -9.576 -2.919 355 HA THR 52 HA THR 52 -3.744 -9.340 -2.377 356 HB THR 52 HB THR 52 -5.800 -7.593 -3.714 357 HG1 THR 52 HG1 THR 52 -4.099 -9.163 -4.617 358 1HG2 THR 52 HG21 THR 52 -4.694 -6.153 -2.028 359 2HG2 THR 52 HG23 THR 52 -3.120 -6.641 -2.657 360 3HG2 THR 52 HG22 THR 52 -4.224 -5.710 -3.667 361 H GLU 53 HN GLU 53 -3.012 -7.964 -0.652 362 HA GLU 53 HA GLU 53 -5.038 -7.620 1.482 363 1HB GLU 53 HB1 GLU 53 -2.088 -7.125 1.808 364 2HB GLU 53 HB2 GLU 53 -3.262 -7.642 3.019 365 1HG GLU 53 HG1 GLU 53 -2.558 -9.349 0.623 366 2HG GLU 53 HG2 GLU 53 -1.664 -9.446 2.140 367 H ILE 54 HN ILE 54 -6.003 -5.707 0.430 368 HA ILE 54 HA ILE 54 -4.258 -3.307 0.450 369 HB ILE 54 HB ILE 54 -6.172 -4.146 -1.368 370 1HG1 ILE 54 HG11 ILE 54 -5.344 -1.274 -0.962 371 2HG1 ILE 54 HG12 ILE 54 -4.244 -2.506 -1.578 372 1HG2 ILE 54 HG21 ILE 54 -7.804 -3.200 0.522 373 2HG2 ILE 54 HG22 ILE 54 -7.399 -1.682 -0.269 374 3HG2 ILE 54 HG23 ILE 54 -8.132 -2.976 -1.191 375 1HD1 ILE 54 HD12 ILE 54 -6.477 -2.909 -3.134 376 2HD1 ILE 54 HD13 ILE 54 -6.493 -1.159 -2.920 377 3HD1 ILE 54 HD11 ILE 54 -5.079 -1.948 -3.616 378 H LYS 55 HN LYS 55 -4.961 -1.392 1.577 379 HA LYS 55 HA LYS 55 -7.152 -1.717 3.526 380 1HB LYS 55 HB1 LYS 55 -4.249 -1.644 4.222 381 2HB LYS 55 HB2 LYS 55 -5.363 -0.753 5.259 382 1HG LYS 55 HG1 LYS 55 -6.350 -3.419 4.547 383 2HG LYS 55 HG2 LYS 55 -4.821 -3.468 5.427 384 1HD LYS 55 HD1 LYS 55 -5.935 -3.048 7.340 385 2HD LYS 55 HD2 LYS 55 -6.463 -1.501 6.676 386 1HE LYS 55 HE1 LYS 55 -8.063 -3.451 5.419 387 2HE LYS 55 HE2 LYS 55 -8.001 -3.915 7.119 388 1HZ LYS 55 HZ3 LYS 55 -8.305 -1.125 6.920 389 2HZ LYS 55 HZ1 LYS 55 -9.492 -1.872 5.965 390 3HZ LYS 55 HZ2 LYS 55 -9.361 -2.261 7.614 391 H CYS 56 HN CYS 56 -7.057 0.467 4.957 392 HA CYS 56 HA CYS 56 -7.010 2.651 2.940 393 1HB CYS 56 HB1 CYS 56 -8.060 3.112 5.694 394 2HB CYS 56 HB2 CYS 56 -8.690 3.671 4.147 395 H CYS 57 HN CYS 57 -5.467 4.194 3.038 396 HA CYS 57 HA CYS 57 -4.072 4.725 5.605 397 1HB CYS 57 HB1 CYS 57 -2.891 2.893 4.213 398 2HB CYS 57 HB2 CYS 57 -2.478 4.198 3.100 399 H SER 58 HN SER 58 -2.595 6.576 5.340 400 HA SER 58 HA SER 58 -2.429 8.357 3.247 401 1HB SER 58 HB1 SER 58 -4.335 9.993 4.100 402 2HB SER 58 HB2 SER 58 -4.695 8.727 2.929 403 HG SER 58 HG SER 58 -4.905 8.342 5.719 404 H ALA 59 HN ALA 59 -1.458 7.480 6.090 405 HA ALA 59 HA ALA 59 -0.488 10.193 6.775 406 1HB ALA 59 HB1 ALA 59 -2.389 8.604 8.474 407 2HB ALA 59 HB3 ALA 59 -1.184 9.636 9.244 408 3HB ALA 59 HB2 ALA 59 -2.375 10.338 8.149 409 H ASP 60 HN ASP 60 1.175 8.300 5.846 410 HA ASP 60 HA ASP 60 2.837 6.704 6.370 411 1HB ASP 60 HB1 ASP 60 4.027 8.663 6.822 412 2HB ASP 60 HB2 ASP 60 3.006 9.065 8.189 413 H LYS 61 HN LYS 61 0.240 6.161 7.432 414 HA LYS 61 HA LYS 61 0.878 4.861 10.011 415 1HB LYS 61 HB1 LYS 61 -0.906 6.189 10.594 416 2HB LYS 61 HB2 LYS 61 -1.532 6.232 8.950 417 1HG LYS 61 HG1 LYS 61 -2.327 3.895 9.210 418 2HG LYS 61 HG2 LYS 61 -1.748 3.901 10.876 419 1HD LYS 61 HD1 LYS 61 -3.602 6.077 9.963 420 2HD LYS 61 HD2 LYS 61 -4.268 4.490 10.348 421 1HE LYS 61 HE1 LYS 61 -2.808 4.733 12.527 422 2HE LYS 61 HE2 LYS 61 -2.876 6.455 12.147 423 1HZ LYS 61 HZ3 LYS 61 -5.259 4.695 12.354 424 2HZ LYS 61 HZ1 LYS 61 -4.693 5.681 13.614 425 3HZ LYS 61 HZ2 LYS 61 -5.248 6.384 12.170 426 H CYS 62 HN CYS 62 0.544 4.249 6.791 427 HA CYS 62 HA CYS 62 -1.116 2.057 6.448 428 1HB CYS 62 HB1 CYS 62 1.724 2.098 5.400 429 2HB CYS 62 HB2 CYS 62 0.316 1.336 4.664 430 H ASN 63 HN ASN 63 2.088 2.081 7.972 431 HA ASN 63 HA ASN 63 1.678 -0.765 8.732 432 1HB ASN 63 HB1 ASN 63 4.158 -0.507 9.452 433 2HB ASN 63 HB2 ASN 63 3.803 -0.560 7.724 434 1HD2 ASN 63 HD22 ASN 63 5.173 2.630 7.176 435 2HD2 ASN 63 HD21 ASN 63 4.706 1.129 6.537 436 H THR 64 HN THR 64 0.019 0.553 10.232 437 HA THR 64 HA THR 64 1.305 1.721 12.604 438 HB THR 64 HB THR 64 -1.429 1.241 13.114 439 HG1 THR 64 HG1 THR 64 -2.364 2.078 11.257 440 1HG2 THR 64 HG23 THR 64 0.199 3.180 13.616 441 2HG2 THR 64 HG22 THR 64 -0.238 3.778 12.015 442 3HG2 THR 64 HG21 THR 64 -1.478 3.593 13.256 443 H TYR 65 HN TYR 65 2.419 0.068 13.660 444 HA TYR 65 HA TYR 65 2.756 -2.023 14.717 445 1HB TYR 65 HB1 TYR 65 1.965 -0.819 16.564 446 2HB TYR 65 HB2 TYR 65 0.341 -0.690 15.898 447 HD1 TYR 65 HD2 TYR 65 2.604 -3.649 16.318 448 HD2 TYR 65 HD1 TYR 65 -1.110 -1.777 17.401 449 HE1 TYR 65 HE2 TYR 65 1.942 -5.687 17.568 450 HE2 TYR 65 HE1 TYR 65 -1.772 -3.816 18.652 451 HH TYR 65 HH TYR 65 -0.952 -6.505 18.345 452 HA PRO 66 HA PRO 66 -0.242 -4.377 12.124 453 1HB PRO 66 HB1 PRO 66 1.700 -5.753 10.741 454 2HB PRO 66 HB2 PRO 66 1.040 -4.192 10.222 455 1HG PRO 66 HG1 PRO 66 3.683 -4.819 11.477 456 2HG PRO 66 HG2 PRO 66 3.245 -3.490 10.390 457 1HD PRO 66 HD1 PRO 66 3.545 -3.328 13.211 458 2HD PRO 66 HD2 PRO 66 2.803 -2.097 12.166 No H/Q in entry = 458 Start of MODEL 4 1 1H ARG 1 HT1 ARG 1 1.552 15.317 -1.166 2 2H ARG 1 HT2 ARG 1 2.228 15.250 -2.722 3 3H ARG 1 HT3 ARG 1 0.994 14.169 -2.281 4 HA ARG 1 HA ARG 1 2.927 12.896 -2.152 5 1HB ARG 1 HB1 ARG 1 4.110 15.439 -1.726 6 2HB ARG 1 HB2 ARG 1 4.531 14.447 -0.332 7 1HG ARG 1 HG1 ARG 1 5.801 13.005 -1.583 8 2HG ARG 1 HG2 ARG 1 4.727 13.115 -2.979 9 1HD ARG 1 HD1 ARG 1 5.964 14.769 -3.913 10 2HD ARG 1 HD2 ARG 1 6.068 15.652 -2.391 11 HE ARG 1 HE ARG 1 7.896 13.880 -1.822 12 1HH1 ARG 1 HH11 ARG 1 8.425 12.307 -4.009 13 2HH1 ARG 1 HH12 ARG 1 9.424 13.235 -5.076 14 1HH2 ARG 1 HH21 ARG 1 8.626 16.274 -3.611 15 2HH2 ARG 1 HH22 ARG 1 9.538 15.481 -4.850 16 H GLU 2 HN GLU 2 1.653 11.536 -0.846 17 HA GLU 2 HA GLU 2 2.014 11.925 2.076 18 1HB GLU 2 HB1 GLU 2 -0.234 12.872 1.269 19 2HB GLU 2 HB2 GLU 2 -0.690 11.201 0.937 20 1HG GLU 2 HG1 GLU 2 -1.241 10.972 3.106 21 2HG GLU 2 HG2 GLU 2 0.453 11.223 3.529 22 H CYS 3 HN CYS 3 3.522 10.076 0.926 23 HA CYS 3 HA CYS 3 2.353 7.548 1.853 24 1HB CYS 3 HB1 CYS 3 3.237 7.928 -1.012 25 2HB CYS 3 HB2 CYS 3 2.913 6.362 -0.270 26 H TYR 4 HN TYR 4 5.087 9.069 0.199 27 HA TYR 4 HA TYR 4 7.188 7.400 0.443 28 1HB TYR 4 HB1 TYR 4 8.577 9.345 1.372 29 2HB TYR 4 HB2 TYR 4 7.735 9.623 -0.147 30 HD1 TYR 4 HD1 TYR 4 7.787 10.343 3.471 31 HD2 TYR 4 HD2 TYR 4 5.772 11.108 -0.243 32 HE1 TYR 4 HE1 TYR 4 6.580 12.239 4.520 33 HE2 TYR 4 HE2 TYR 4 4.570 13.002 0.806 34 HH TYR 4 HH TYR 4 5.394 14.184 3.980 35 H LEU 5 HN LEU 5 8.721 6.808 2.101 36 HA LEU 5 HA LEU 5 9.432 6.860 4.474 37 1HB LEU 5 HB1 LEU 5 6.484 6.926 4.866 38 2HB LEU 5 HB2 LEU 5 7.573 6.475 6.130 39 HG LEU 5 HG LEU 5 8.219 8.960 4.628 40 1HD1 LEU 5 HD11 LEU 5 5.656 8.521 5.974 41 2HD1 LEU 5 HD13 LEU 5 6.551 9.879 6.657 42 3HD1 LEU 5 HD12 LEU 5 6.162 9.854 4.937 43 1HD2 LEU 5 HD23 LEU 5 8.587 7.792 7.338 44 2HD2 LEU 5 HD21 LEU 5 9.703 8.748 6.364 45 3HD2 LEU 5 HD22 LEU 5 8.416 9.546 7.268 46 H ASN 6 HN ASN 6 6.481 4.963 3.817 47 HA ASN 6 HA ASN 6 7.172 2.689 5.241 48 1HB ASN 6 HB1 ASN 6 5.130 3.254 3.572 49 2HB ASN 6 HB2 ASN 6 6.041 2.139 2.551 50 1HD2 ASN 6 HD22 ASN 6 4.511 -0.529 4.272 51 2HD2 ASN 6 HD21 ASN 6 4.849 0.208 2.781 52 HA PRO 7 HA PRO 7 10.804 1.240 3.175 53 1HB PRO 7 HB1 PRO 7 10.971 -1.159 4.521 54 2HB PRO 7 HB2 PRO 7 11.483 0.392 5.210 55 1HG PRO 7 HG1 PRO 7 9.030 -1.228 5.778 56 2HG PRO 7 HG2 PRO 7 9.897 -0.100 6.835 57 1HD PRO 7 HD1 PRO 7 7.496 0.437 5.424 58 2HD PRO 7 HD2 PRO 7 8.544 1.648 6.195 59 H HIS 8 HN HIS 8 7.694 0.142 2.814 60 HA HIS 8 HA HIS 8 8.345 -2.247 1.210 61 1HB HIS 8 HB1 HIS 8 6.035 -1.211 2.616 62 2HB HIS 8 HB2 HIS 8 5.611 -1.605 0.954 63 HD1 HIS 8 HD1 HIS 8 4.213 -3.571 2.277 64 HD2 HIS 8 HD2 HIS 8 8.363 -3.954 2.199 65 HE1 HIS 8 HE1 HIS 8 4.715 -5.984 2.848 66 H ASP 9 HN ASP 9 9.425 0.140 0.225 67 HA ASP 9 HA ASP 9 9.698 1.034 -1.949 68 1HB ASP 9 HB1 ASP 9 7.941 -1.067 -2.421 69 2HB ASP 9 HB2 ASP 9 7.078 0.342 -3.039 70 H THR 10 HN THR 10 6.440 1.294 -0.489 71 HA THR 10 HA THR 10 5.028 3.163 -0.300 72 HB THR 10 HB THR 10 7.006 5.254 -0.537 73 HG1 THR 10 HG1 THR 10 8.418 4.431 1.095 74 1HG2 THR 10 HG22 THR 10 5.675 4.024 1.901 75 2HG2 THR 10 HG21 THR 10 6.508 5.574 1.868 76 3HG2 THR 10 HG23 THR 10 5.029 5.345 0.936 77 H GLN 11 HN GLN 11 4.849 5.562 -1.432 78 HA GLN 11 HA GLN 11 5.829 5.905 -4.057 79 1HB GLN 11 HB1 GLN 11 4.611 3.986 -4.780 80 2HB GLN 11 HB2 GLN 11 3.188 4.453 -3.851 81 1HG GLN 11 HG1 GLN 11 2.644 6.198 -5.337 82 2HG GLN 11 HG2 GLN 11 4.270 6.244 -6.018 83 1HE2 GLN 11 HE22 GLN 11 3.185 4.196 -8.669 84 2HE2 GLN 11 HE21 GLN 11 4.028 5.583 -8.175 85 H THR 12 HN THR 12 5.887 7.952 -2.874 86 HA THR 12 HA THR 12 3.920 9.456 -1.771 87 HB THR 12 HB THR 12 5.122 11.387 -2.380 88 HG1 THR 12 HG1 THR 12 6.696 10.891 -4.288 89 1HG2 THR 12 HG21 THR 12 6.418 9.190 -1.433 90 2HG2 THR 12 HG23 THR 12 7.389 9.553 -2.858 91 3HG2 THR 12 HG22 THR 12 7.174 10.774 -1.604 92 H CYS 13 HN CYS 13 2.272 10.858 -2.490 93 HA CYS 13 HA CYS 13 1.383 10.435 -5.316 94 1HB CYS 13 HB1 CYS 13 -0.142 9.235 -3.902 95 2HB CYS 13 HB2 CYS 13 -0.228 10.570 -2.756 96 HA PRO 14 HA PRO 14 1.952 14.937 -4.536 97 1HB PRO 14 HB1 PRO 14 3.337 15.377 -6.876 98 2HB PRO 14 HB2 PRO 14 4.104 14.930 -5.342 99 1HG PRO 14 HG1 PRO 14 3.597 13.262 -7.775 100 2HG PRO 14 HG2 PRO 14 4.870 13.102 -6.554 101 1HD PRO 14 HD1 PRO 14 2.506 11.542 -6.725 102 2HD PRO 14 HD2 PRO 14 3.607 11.617 -5.333 103 H SER 15 HN SER 15 1.708 13.882 -7.955 104 HA SER 15 HA SER 15 -0.622 15.713 -8.244 105 1HB SER 15 HB1 SER 15 1.083 16.151 -9.872 106 2HB SER 15 HB2 SER 15 1.244 14.441 -10.257 107 HG SER 15 HG SER 15 -0.745 16.247 -10.987 108 H GLY 16 HN GLY 16 -2.639 14.872 -8.482 109 1HA GLY 16 HA1 GLY 16 -3.846 12.998 -9.831 110 2HA GLY 16 HA2 GLY 16 -2.857 11.918 -8.846 111 H GLN 17 HN GLN 17 -3.963 11.121 -7.133 112 HA GLN 17 HA GLN 17 -6.360 12.537 -6.154 113 1HB GLN 17 HB1 GLN 17 -5.411 9.804 -6.202 114 2HB GLN 17 HB2 GLN 17 -5.863 10.262 -4.559 115 1HG GLN 17 HG1 GLN 17 -7.590 10.543 -7.038 116 2HG GLN 17 HG2 GLN 17 -7.816 9.370 -5.741 117 1HE2 GLN 17 HE22 GLN 17 -9.452 12.993 -5.349 118 2HE2 GLN 17 HE21 GLN 17 -8.882 12.368 -6.820 119 H GLU 18 HN GLU 18 -6.263 11.706 -3.441 120 HA GLU 18 HA GLU 18 -3.834 13.079 -2.388 121 1HB GLU 18 HB1 GLU 18 -5.150 14.462 -0.918 122 2HB GLU 18 HB2 GLU 18 -5.801 14.667 -2.545 123 1HG GLU 18 HG1 GLU 18 -7.619 13.142 -2.075 124 2HG GLU 18 HG2 GLU 18 -6.908 12.697 -0.523 125 H ILE 19 HN ILE 19 -5.591 10.326 -2.395 126 HA ILE 19 HA ILE 19 -5.262 9.798 0.522 127 HB ILE 19 HB ILE 19 -6.570 7.977 -1.483 128 1HG1 ILE 19 HG11 ILE 19 -7.403 10.613 -1.012 129 2HG1 ILE 19 HG12 ILE 19 -8.374 9.326 -1.709 130 1HG2 ILE 19 HG21 ILE 19 -6.673 8.357 1.511 131 2HG2 ILE 19 HG22 ILE 19 -7.907 7.435 0.651 132 3HG2 ILE 19 HG23 ILE 19 -6.222 6.913 0.605 133 1HD1 ILE 19 HD11 ILE 19 -8.166 9.880 1.265 134 2HD1 ILE 19 HD12 ILE 19 -9.473 10.464 0.236 135 3HD1 ILE 19 HD13 ILE 19 -9.250 8.732 0.481 136 H CYS 20 HN CYS 20 -4.274 7.777 1.124 137 HA CYS 20 HA CYS 20 -2.302 6.811 -0.908 138 1HB CYS 20 HB1 CYS 20 -1.418 8.146 1.125 139 2HB CYS 20 HB2 CYS 20 -1.851 6.729 2.079 140 H TYR 21 HN TYR 21 -2.922 4.761 -1.528 141 HA TYR 21 HA TYR 21 -4.359 3.134 0.509 142 1HB TYR 21 HB1 TYR 21 -5.295 1.866 -1.215 143 2HB TYR 21 HB2 TYR 21 -5.198 3.459 -1.946 144 HD1 TYR 21 HD2 TYR 21 -2.119 3.419 -2.367 145 HD2 TYR 21 HD1 TYR 21 -5.234 0.595 -3.242 146 HE1 TYR 21 HE2 TYR 21 -0.745 2.473 -4.197 147 HE2 TYR 21 HE1 TYR 21 -3.859 -0.353 -5.074 148 HH TYR 21 HH TYR 21 -1.670 0.934 -6.583 149 H VAL 22 HN VAL 22 -3.644 0.914 0.898 150 HA VAL 22 HA VAL 22 -0.731 0.630 0.295 151 HB VAL 22 HB VAL 22 -0.419 -0.368 2.466 152 1HG1 VAL 22 HG12 VAL 22 -2.216 2.074 2.652 153 2HG1 VAL 22 HG11 VAL 22 -1.172 1.490 3.945 154 3HG1 VAL 22 HG13 VAL 22 -0.464 2.089 2.446 155 1HG2 VAL 22 HG22 VAL 22 -3.353 -0.637 2.300 156 2HG2 VAL 22 HG21 VAL 22 -2.172 -1.662 3.115 157 3HG2 VAL 22 HG23 VAL 22 -2.738 -0.181 3.890 158 H LYS 23 HN LYS 23 -0.597 -0.889 -1.285 159 HA LYS 23 HA LYS 23 -2.388 -3.265 -1.139 160 1HB LYS 23 HB1 LYS 23 -1.126 -1.744 -3.297 161 2HB LYS 23 HB2 LYS 23 -0.835 -3.478 -3.447 162 1HG LYS 23 HG1 LYS 23 -3.504 -3.383 -2.751 163 2HG LYS 23 HG2 LYS 23 -3.330 -1.958 -3.775 164 1HD LYS 23 HD1 LYS 23 -1.990 -4.409 -4.765 165 2HD LYS 23 HD2 LYS 23 -3.753 -4.465 -4.747 166 1HE LYS 23 HE1 LYS 23 -3.412 -3.488 -6.819 167 2HE LYS 23 HE2 LYS 23 -3.481 -2.040 -5.816 168 1HZ LYS 23 HZ1 LYS 23 -0.864 -3.051 -5.778 169 2HZ LYS 23 HZ2 LYS 23 -1.367 -2.932 -7.397 170 3HZ LYS 23 HZ3 LYS 23 -1.413 -1.566 -6.388 171 H SER 24 HN SER 24 -1.535 -5.135 -0.341 172 HA SER 24 HA SER 24 1.417 -5.481 -0.501 173 1HB SER 24 HB1 SER 24 -0.074 -4.994 1.856 174 2HB SER 24 HB2 SER 24 0.389 -6.692 1.897 175 HG SER 24 HG SER 24 2.117 -4.489 1.481 176 H TRP 25 HN TRP 25 1.778 -7.313 -1.675 177 HA TRP 25 HA TRP 25 0.199 -9.737 -0.982 178 1HB TRP 25 HB1 TRP 25 -0.329 -10.216 -3.312 179 2HB TRP 25 HB2 TRP 25 -0.956 -8.620 -2.898 180 HD1 TRP 25 HD1 TRP 25 1.287 -10.317 -5.328 181 HE1 TRP 25 HE1 TRP 25 2.510 -8.537 -6.751 182 HE3 TRP 25 HE3 TRP 25 0.176 -6.205 -2.611 183 HZ2 TRP 25 HZ2 TRP 25 2.951 -5.680 -6.697 184 HZ3 TRP 25 HZ3 TRP 25 0.985 -4.004 -3.259 185 HH2 TRP 25 HH2 TRP 25 2.376 -3.696 -5.303 186 H CYS 26 HN CYS 26 1.592 -11.415 -0.768 187 HA CYS 26 HA CYS 26 4.299 -11.180 -1.994 188 1HB CYS 26 HB1 CYS 26 3.309 -12.170 0.525 189 2HB CYS 26 HB2 CYS 26 4.130 -13.472 -0.334 190 H ASN 27 HN ASN 27 4.990 -13.847 -2.091 191 HA ASN 27 HA ASN 27 3.078 -14.925 -4.128 192 1HB ASN 27 HB1 ASN 27 5.988 -14.568 -4.117 193 2HB ASN 27 HB2 ASN 27 5.499 -16.208 -4.547 194 1HD2 ASN 27 HD21 ASN 27 5.137 -12.780 -5.477 195 2HD2 ASN 27 HD22 ASN 27 4.591 -13.093 -7.054 196 H ALA 28 HN ALA 28 3.793 -15.312 -1.032 197 HA ALA 28 HA ALA 28 3.286 -17.085 0.411 198 1HB ALA 28 HB3 ALA 28 2.284 -18.036 -2.041 199 2HB ALA 28 HB2 ALA 28 3.287 -19.331 -1.388 200 3HB ALA 28 HB1 ALA 28 1.956 -18.682 -0.435 201 H TRP 29 HN TRP 29 5.853 -16.826 -1.660 202 HA TRP 29 HA TRP 29 7.501 -18.586 0.067 203 1HB TRP 29 HB1 TRP 29 7.654 -18.491 -2.937 204 2HB TRP 29 HB2 TRP 29 8.683 -19.419 -1.881 205 HD1 TRP 29 HD1 TRP 29 4.832 -19.076 -2.353 206 HE1 TRP 29 HE1 TRP 29 3.845 -21.466 -2.227 207 HE3 TRP 29 HE3 TRP 29 9.078 -21.666 -1.548 208 HZ2 TRP 29 HZ2 TRP 29 4.790 -24.163 -1.826 209 HZ3 TRP 29 HZ3 TRP 29 9.062 -24.152 -1.289 210 HH2 TRP 29 HH2 TRP 29 6.914 -25.397 -1.429 211 H CYS 30 HN CYS 30 7.017 -15.572 -0.405 212 HA CYS 30 HA CYS 30 9.471 -14.569 -1.574 213 1HB CYS 30 HB1 CYS 30 8.708 -12.394 -0.539 214 2HB CYS 30 HB2 CYS 30 7.579 -13.139 -1.667 215 H SER 31 HN SER 31 9.904 -16.442 0.709 216 HA SER 31 HA SER 31 10.578 -15.229 3.124 217 1HB SER 31 HB1 SER 31 10.905 -17.575 2.987 218 2HB SER 31 HB2 SER 31 11.939 -17.432 1.568 219 HG SER 31 HG SER 31 13.021 -17.772 3.653 220 H SER 32 HN SER 32 11.313 -13.092 2.794 221 HA SER 32 HA SER 32 12.787 -11.379 2.131 222 1HB SER 32 HB1 SER 32 15.149 -13.046 2.618 223 2HB SER 32 HB2 SER 32 14.662 -11.534 3.377 224 HG SER 32 HG SER 32 12.939 -12.988 4.355 225 H ARG 33 HN ARG 33 12.243 -11.610 -0.097 226 HA ARG 33 HA ARG 33 14.600 -12.396 -1.725 227 1HB ARG 33 HB1 ARG 33 12.407 -14.060 -1.592 228 2HB ARG 33 HB2 ARG 33 12.042 -13.076 -3.011 229 1HG ARG 33 HG1 ARG 33 14.644 -14.561 -2.532 230 2HG ARG 33 HG2 ARG 33 13.353 -15.095 -3.609 231 1HD ARG 33 HD1 ARG 33 13.614 -12.794 -4.753 232 2HD ARG 33 HD2 ARG 33 15.139 -12.672 -3.876 233 HE ARG 33 HE ARG 33 15.912 -13.930 -5.730 234 1HH1 ARG 33 HH11 ARG 33 12.654 -14.637 -5.624 235 2HH1 ARG 33 HH12 ARG 33 12.812 -16.306 -6.058 236 1HH2 ARG 33 HH21 ARG 33 16.269 -16.328 -5.780 237 2HH2 ARG 33 HH22 ARG 33 14.858 -17.264 -6.147 238 H GLY 34 HN GLY 34 11.277 -11.433 -2.597 239 1HA GLY 34 HA1 GLY 34 12.122 -8.702 -3.232 240 2HA GLY 34 HA2 GLY 34 11.785 -9.697 -4.650 241 H LYS 35 HN LYS 35 10.212 -9.497 -1.448 242 HA LYS 35 HA LYS 35 7.598 -9.979 -2.199 243 1HB LYS 35 HB1 LYS 35 8.468 -7.851 -0.218 244 2HB LYS 35 HB2 LYS 35 6.890 -8.637 -0.270 245 1HG LYS 35 HG1 LYS 35 7.981 -10.821 0.144 246 2HG LYS 35 HG2 LYS 35 9.550 -10.018 0.217 247 1HD LYS 35 HD1 LYS 35 9.110 -9.060 2.270 248 2HD LYS 35 HD2 LYS 35 7.374 -8.970 1.974 249 1HE LYS 35 HE1 LYS 35 7.214 -11.427 2.248 250 2HE LYS 35 HE2 LYS 35 8.948 -11.498 2.566 251 1HZ LYS 35 HZ3 LYS 35 7.675 -9.554 4.203 252 2HZ LYS 35 HZ1 LYS 35 6.954 -11.075 4.407 253 3HZ LYS 35 HZ2 LYS 35 8.624 -10.888 4.657 254 H VAL 36 HN VAL 36 5.881 -8.753 -3.049 255 HA VAL 36 HA VAL 36 6.692 -6.169 -4.324 256 HB VAL 36 HB VAL 36 4.199 -7.404 -5.279 257 1HG1 VAL 36 HG13 VAL 36 6.748 -6.348 -6.519 258 2HG1 VAL 36 HG12 VAL 36 5.425 -7.013 -7.478 259 3HG1 VAL 36 HG11 VAL 36 5.162 -5.579 -6.487 260 1HG2 VAL 36 HG23 VAL 36 5.548 -9.452 -4.763 261 2HG2 VAL 36 HG22 VAL 36 5.249 -9.246 -6.489 262 3HG2 VAL 36 HG21 VAL 36 6.824 -8.834 -5.812 263 H LEU 37 HN LEU 37 6.110 -5.732 -1.815 264 HA LEU 37 HA LEU 37 3.203 -5.120 -1.660 265 1HB LEU 37 HB1 LEU 37 5.331 -5.729 0.381 266 2HB LEU 37 HB2 LEU 37 3.826 -4.951 0.839 267 HG LEU 37 HG LEU 37 2.543 -6.833 0.009 268 1HD1 LEU 37 HD13 LEU 37 5.191 -7.621 -1.154 269 2HD1 LEU 37 HD12 LEU 37 4.017 -8.876 -0.760 270 3HD1 LEU 37 HD11 LEU 37 3.601 -7.612 -1.916 271 1HD2 LEU 37 HD22 LEU 37 4.910 -7.607 1.705 272 2HD2 LEU 37 HD21 LEU 37 3.292 -7.165 2.247 273 3HD2 LEU 37 HD23 LEU 37 3.554 -8.694 1.405 274 H GLU 38 HN GLU 38 3.011 -2.991 -2.386 275 HA GLU 38 HA GLU 38 4.610 -0.973 -0.894 276 1HB GLU 38 HB1 GLU 38 4.727 0.351 -3.093 277 2HB GLU 38 HB2 GLU 38 5.808 -1.032 -2.938 278 1HG GLU 38 HG1 GLU 38 4.928 -1.745 -4.899 279 2HG GLU 38 HG2 GLU 38 3.485 -2.152 -3.971 280 H PHE 39 HN PHE 39 3.594 1.175 -0.874 281 HA PHE 39 HA PHE 39 0.668 1.016 -1.369 282 1HB PHE 39 HB1 PHE 39 2.016 2.787 0.677 283 2HB PHE 39 HB2 PHE 39 0.302 2.380 0.562 284 HD1 PHE 39 HD2 PHE 39 0.848 -0.601 -0.168 285 HD2 PHE 39 HD1 PHE 39 2.275 1.954 2.972 286 HE1 PHE 39 HE2 PHE 39 1.226 -2.586 1.265 287 HE2 PHE 39 HE1 PHE 39 2.652 -0.034 4.413 288 HZ PHE 39 HZ PHE 39 2.129 -2.306 3.557 289 H GLY 40 HN GLY 40 -0.320 2.935 -2.285 290 1HA GLY 40 HA1 GLY 40 1.581 5.042 -3.173 291 2HA GLY 40 HA2 GLY 40 0.608 4.215 -4.385 292 H CYS 41 HN CYS 41 -0.809 5.799 -5.031 293 HA CYS 41 HA CYS 41 -2.133 7.482 -2.989 294 1HB CYS 41 HB1 CYS 41 -1.062 8.287 -5.228 295 2HB CYS 41 HB2 CYS 41 -2.529 7.685 -5.968 296 H ALA 42 HN ALA 42 -4.486 7.970 -3.768 297 HA ALA 42 HA ALA 42 -6.110 6.041 -5.037 298 1HB ALA 42 HB3 ALA 42 -5.274 5.347 -2.321 299 2HB ALA 42 HB2 ALA 42 -7.028 5.405 -2.496 300 3HB ALA 42 HB1 ALA 42 -6.071 4.349 -3.536 301 H ALA 43 HN ALA 43 -8.457 6.215 -4.027 302 HA ALA 43 HA ALA 43 -8.929 9.096 -3.466 303 1HB ALA 43 HB3 ALA 43 -10.088 7.246 -5.350 304 2HB ALA 43 HB2 ALA 43 -11.338 7.856 -4.266 305 3HB ALA 43 HB1 ALA 43 -10.356 8.982 -5.203 306 H THR 44 HN THR 44 -10.092 5.812 -2.702 307 HA THR 44 HA THR 44 -10.670 6.706 0.047 308 HB THR 44 HB THR 44 -12.815 7.155 -0.859 309 HG1 THR 44 HG1 THR 44 -12.612 5.464 0.894 310 1HG2 THR 44 HG23 THR 44 -11.995 5.247 -2.823 311 2HG2 THR 44 HG22 THR 44 -13.554 4.737 -2.176 312 3HG2 THR 44 HG21 THR 44 -13.373 6.345 -2.876 313 H CYS 45 HN CYS 45 -10.697 4.940 1.514 314 HA CYS 45 HA CYS 45 -9.035 2.866 1.259 315 1HB CYS 45 HB1 CYS 45 -10.379 3.510 3.280 316 2HB CYS 45 HB2 CYS 45 -11.713 2.581 2.605 317 HA PRO 46 HA PRO 46 -11.172 0.522 -1.957 318 1HB PRO 46 HB1 PRO 46 -8.952 -0.923 -2.716 319 2HB PRO 46 HB2 PRO 46 -9.317 0.708 -3.301 320 1HG PRO 46 HG1 PRO 46 -7.232 -0.178 -1.386 321 2HG PRO 46 HG2 PRO 46 -7.317 1.312 -2.332 322 1HD PRO 46 HD1 PRO 46 -7.956 0.948 0.448 323 2HD PRO 46 HD2 PRO 46 -8.104 2.435 -0.512 324 H SER 47 HN SER 47 -12.334 -1.320 -1.535 325 HA SER 47 HA SER 47 -11.247 -3.215 0.498 326 1HB SER 47 HB1 SER 47 -14.075 -2.695 -0.464 327 2HB SER 47 HB2 SER 47 -13.642 -3.982 0.658 328 HG SER 47 HG SER 47 -13.225 -2.572 2.193 329 H VAL 48 HN VAL 48 -10.014 -3.668 -1.813 330 HA VAL 48 HA VAL 48 -11.558 -5.775 -3.234 331 HB VAL 48 HB VAL 48 -8.967 -4.532 -4.057 332 1HG1 VAL 48 HG12 VAL 48 -10.457 -6.745 -5.000 333 2HG1 VAL 48 HG11 VAL 48 -10.655 -5.454 -6.187 334 3HG1 VAL 48 HG13 VAL 48 -9.040 -6.011 -5.749 335 1HG2 VAL 48 HG23 VAL 48 -11.808 -3.679 -4.489 336 2HG2 VAL 48 HG22 VAL 48 -10.399 -2.684 -4.121 337 3HG2 VAL 48 HG21 VAL 48 -10.605 -3.358 -5.738 338 H ASN 49 HN ASN 49 -11.095 -7.844 -2.646 339 HA ASN 49 HA ASN 49 -8.470 -8.360 -1.398 340 1HB ASN 49 HB1 ASN 49 -10.657 -8.820 -0.114 341 2HB ASN 49 HB2 ASN 49 -10.859 -10.183 -1.215 342 1HD2 ASN 49 HD22 ASN 49 -9.015 -11.878 1.362 343 2HD2 ASN 49 HD21 ASN 49 -10.585 -11.555 0.804 344 H THR 50 HN THR 50 -8.946 -8.270 -4.296 345 HA THR 50 HA THR 50 -9.139 -10.960 -5.323 346 HB THR 50 HB THR 50 -7.559 -9.129 -6.962 347 HG1 THR 50 HG1 THR 50 -9.166 -7.575 -7.162 348 1HG2 THR 50 HG22 THR 50 -10.138 -10.664 -7.158 349 2HG2 THR 50 HG21 THR 50 -9.699 -9.495 -8.403 350 3HG2 THR 50 HG23 THR 50 -8.652 -10.877 -8.082 351 H GLY 51 HN GLY 51 -7.625 -12.124 -3.933 352 1HA GLY 51 HA1 GLY 51 -5.494 -12.908 -3.296 353 2HA GLY 51 HA2 GLY 51 -5.118 -12.679 -5.006 354 H THR 52 HN THR 52 -6.088 -9.948 -3.076 355 HA THR 52 HA THR 52 -3.249 -9.086 -2.791 356 HB THR 52 HB THR 52 -5.503 -7.527 -4.086 357 HG1 THR 52 HG1 THR 52 -2.881 -8.120 -4.978 358 1HG2 THR 52 HG21 THR 52 -3.334 -6.578 -2.462 359 2HG2 THR 52 HG23 THR 52 -3.052 -6.090 -4.133 360 3HG2 THR 52 HG22 THR 52 -4.554 -5.640 -3.323 361 H GLU 53 HN GLU 53 -2.889 -7.782 -0.963 362 HA GLU 53 HA GLU 53 -5.202 -7.577 0.894 363 1HB GLU 53 HB1 GLU 53 -2.330 -7.127 1.676 364 2HB GLU 53 HB2 GLU 53 -3.675 -7.668 2.679 365 1HG GLU 53 HG1 GLU 53 -2.683 -9.324 0.358 366 2HG GLU 53 HG2 GLU 53 -1.937 -9.441 1.952 367 H ILE 54 HN ILE 54 -6.055 -5.602 -0.049 368 HA ILE 54 HA ILE 54 -4.246 -3.252 0.062 369 HB ILE 54 HB ILE 54 -6.039 -3.919 -1.840 370 1HG1 ILE 54 HG11 ILE 54 -5.616 -1.041 -1.039 371 2HG1 ILE 54 HG12 ILE 54 -4.331 -2.033 -1.729 372 1HG2 ILE 54 HG21 ILE 54 -7.788 -3.318 0.172 373 2HG2 ILE 54 HG22 ILE 54 -7.642 -1.763 -0.648 374 3HG2 ILE 54 HG23 ILE 54 -8.160 -3.189 -1.544 375 1HD1 ILE 54 HD11 ILE 54 -6.524 -2.479 -3.406 376 2HD1 ILE 54 HD12 ILE 54 -6.583 -0.751 -3.061 377 3HD1 ILE 54 HD13 ILE 54 -5.130 -1.459 -3.761 378 H LYS 55 HN LYS 55 -5.097 -1.253 1.098 379 HA LYS 55 HA LYS 55 -7.242 -1.521 3.052 380 1HB LYS 55 HB1 LYS 55 -4.358 -1.668 3.869 381 2HB LYS 55 HB2 LYS 55 -5.515 -0.863 4.929 382 1HG LYS 55 HG1 LYS 55 -6.959 -2.983 4.645 383 2HG LYS 55 HG2 LYS 55 -5.501 -3.737 3.995 384 1HD LYS 55 HD1 LYS 55 -4.567 -3.916 6.049 385 2HD LYS 55 HD2 LYS 55 -5.002 -2.262 6.476 386 1HE LYS 55 HE1 LYS 55 -7.331 -4.025 6.314 387 2HE LYS 55 HE2 LYS 55 -6.158 -4.569 7.514 388 1HZ LYS 55 HZ3 LYS 55 -6.234 -1.906 7.924 389 2HZ LYS 55 HZ1 LYS 55 -7.848 -2.237 7.519 390 3HZ LYS 55 HZ2 LYS 55 -7.115 -3.052 8.817 391 H CYS 56 HN CYS 56 -6.847 0.581 4.648 392 HA CYS 56 HA CYS 56 -6.558 2.833 2.716 393 1HB CYS 56 HB1 CYS 56 -7.577 3.724 5.249 394 2HB CYS 56 HB2 CYS 56 -8.391 3.713 3.690 395 H CYS 57 HN CYS 57 -5.118 4.513 3.133 396 HA CYS 57 HA CYS 57 -3.677 4.621 5.688 397 1HB CYS 57 HB1 CYS 57 -2.471 2.834 4.490 398 2HB CYS 57 HB2 CYS 57 -2.228 3.917 3.119 399 H SER 58 HN SER 58 -2.589 6.598 5.954 400 HA SER 58 HA SER 58 -2.669 8.447 3.646 401 1HB SER 58 HB1 SER 58 -4.633 9.106 4.792 402 2HB SER 58 HB2 SER 58 -3.866 8.918 6.367 403 HG SER 58 HG SER 58 -3.420 10.945 6.202 404 H ALA 59 HN ALA 59 -0.949 7.138 6.194 405 HA ALA 59 HA ALA 59 1.322 8.873 5.608 406 1HB ALA 59 HB3 ALA 59 -0.107 9.075 8.266 407 2HB ALA 59 HB2 ALA 59 1.566 9.584 8.042 408 3HB ALA 59 HB1 ALA 59 0.274 10.380 7.144 409 H ASP 60 HN ASP 60 1.547 7.853 8.793 410 HA ASP 60 HA ASP 60 3.023 5.423 7.954 411 1HB ASP 60 HB1 ASP 60 4.261 6.987 9.401 412 2HB ASP 60 HB2 ASP 60 2.966 6.923 10.597 413 H LYS 61 HN LYS 61 0.157 5.614 7.944 414 HA LYS 61 HA LYS 61 -0.590 3.822 10.179 415 1HB LYS 61 HB1 LYS 61 -2.035 5.717 10.168 416 2HB LYS 61 HB2 LYS 61 -2.209 5.657 8.414 417 1HG LYS 61 HG1 LYS 61 -3.621 3.781 8.498 418 2HG LYS 61 HG2 LYS 61 -3.077 3.327 10.113 419 1HD LYS 61 HD1 LYS 61 -4.199 5.988 10.162 420 2HD LYS 61 HD2 LYS 61 -5.351 4.866 9.438 421 1HE LYS 61 HE1 LYS 61 -4.633 3.329 11.474 422 2HE LYS 61 HE2 LYS 61 -4.182 4.872 12.199 423 1HZ LYS 61 HZ1 LYS 61 -6.756 4.884 10.904 424 2HZ LYS 61 HZ2 LYS 61 -6.660 3.823 12.227 425 3HZ LYS 61 HZ3 LYS 61 -6.307 5.472 12.430 426 H CYS 62 HN CYS 62 0.475 3.636 7.111 427 HA CYS 62 HA CYS 62 -1.349 2.007 5.713 428 1HB CYS 62 HB1 CYS 62 1.681 1.899 5.732 429 2HB CYS 62 HB2 CYS 62 0.662 1.087 4.549 430 H ASN 63 HN ASN 63 0.597 1.283 8.492 431 HA ASN 63 HA ASN 63 0.087 -1.621 8.161 432 1HB ASN 63 HB1 ASN 63 1.593 -1.688 10.283 433 2HB ASN 63 HB2 ASN 63 2.346 -1.307 8.734 434 1HD2 ASN 63 HD22 ASN 63 2.231 1.501 11.675 435 2HD2 ASN 63 HD21 ASN 63 1.515 -0.024 11.891 436 H THR 64 HN THR 64 -2.205 -1.439 8.674 437 HA THR 64 HA THR 64 -2.807 -0.640 11.480 438 HB THR 64 HB THR 64 -5.170 -1.382 10.110 439 HG1 THR 64 HG1 THR 64 -3.829 0.587 8.645 440 1HG2 THR 64 HG21 THR 64 -3.864 1.181 11.004 441 2HG2 THR 64 HG23 THR 64 -5.472 1.165 10.280 442 3HG2 THR 64 HG22 THR 64 -5.172 0.290 11.782 443 H TYR 65 HN TYR 65 -3.642 -2.166 12.939 444 HA TYR 65 HA TYR 65 -4.522 -4.751 12.137 445 1HB TYR 65 HB1 TYR 65 -2.020 -4.908 11.879 446 2HB TYR 65 HB2 TYR 65 -1.896 -4.615 13.612 447 HD1 TYR 65 HD2 TYR 65 -4.243 -6.679 11.530 448 HD2 TYR 65 HD1 TYR 65 -1.355 -6.608 14.712 449 HE1 TYR 65 HE2 TYR 65 -4.660 -9.086 11.962 450 HE2 TYR 65 HE1 TYR 65 -1.773 -9.015 15.145 451 HH TYR 65 HH TYR 65 -4.419 -10.665 13.948 452 HA PRO 66 HA PRO 66 -5.846 -3.261 16.291 453 1HB PRO 66 HB1 PRO 66 -8.538 -3.348 15.716 454 2HB PRO 66 HB2 PRO 66 -7.519 -1.924 15.445 455 1HG PRO 66 HG1 PRO 66 -8.616 -3.883 13.468 456 2HG PRO 66 HG2 PRO 66 -8.184 -2.182 13.236 457 1HD PRO 66 HD1 PRO 66 -6.630 -4.432 12.466 458 2HD PRO 66 HD2 PRO 66 -6.072 -2.746 12.527 No H/Q in entry = 458 Start of MODEL 5 1 1H ARG 1 HT3 ARG 1 1.509 14.914 -0.642 2 2H ARG 1 HT1 ARG 1 2.490 15.190 -1.997 3 3H ARG 1 HT2 ARG 1 1.130 14.179 -2.126 4 HA ARG 1 HA ARG 1 2.663 12.562 -1.905 5 1HB ARG 1 HB1 ARG 1 4.253 14.820 -0.903 6 2HB ARG 1 HB2 ARG 1 4.640 13.282 -0.131 7 1HG ARG 1 HG1 ARG 1 5.533 12.417 -2.040 8 2HG ARG 1 HG2 ARG 1 4.281 13.131 -3.058 9 1HD ARG 1 HD1 ARG 1 6.170 14.340 -3.714 10 2HD ARG 1 HD2 ARG 1 5.492 15.389 -2.469 11 HE ARG 1 HE ARG 1 7.557 13.420 -1.650 12 1HH1 ARG 1 HH21 ARG 1 6.492 15.839 -0.070 13 2HH1 ARG 1 HH22 ARG 1 7.831 16.928 -0.213 14 1HH2 ARG 1 HH11 ARG 1 9.325 15.170 -2.803 15 2HH2 ARG 1 HH12 ARG 1 9.435 16.549 -1.760 16 H GLU 2 HN GLU 2 1.557 11.085 -0.671 17 HA GLU 2 HA GLU 2 1.637 11.480 2.280 18 1HB GLU 2 HB1 GLU 2 -0.737 11.177 0.536 19 2HB GLU 2 HB2 GLU 2 -0.735 10.175 1.988 20 1HG GLU 2 HG1 GLU 2 -1.546 12.036 3.013 21 2HG GLU 2 HG2 GLU 2 0.128 12.590 2.973 22 H CYS 3 HN CYS 3 3.389 9.921 0.808 23 HA CYS 3 HA CYS 3 2.932 7.300 2.032 24 1HB CYS 3 HB1 CYS 3 3.501 7.338 -0.933 25 2HB CYS 3 HB2 CYS 3 2.989 5.976 0.061 26 H TYR 4 HN TYR 4 4.867 9.143 -0.258 27 HA TYR 4 HA TYR 4 7.169 9.253 -0.608 28 1HB TYR 4 HB1 TYR 4 8.245 9.170 1.953 29 2HB TYR 4 HB2 TYR 4 7.701 10.609 1.096 30 HD1 TYR 4 HD1 TYR 4 5.221 11.287 1.319 31 HD2 TYR 4 HD2 TYR 4 7.117 8.441 3.921 32 HE1 TYR 4 HE1 TYR 4 3.417 11.614 2.990 33 HE2 TYR 4 HE2 TYR 4 5.312 8.766 5.592 34 HH TYR 4 HH TYR 4 2.751 11.179 5.081 35 H LEU 5 HN LEU 5 7.542 7.277 2.334 36 HA LEU 5 HA LEU 5 8.529 5.189 0.564 37 1HB LEU 5 HB1 LEU 5 9.923 6.401 2.865 38 2HB LEU 5 HB2 LEU 5 10.325 4.792 2.292 39 HG LEU 5 HG LEU 5 10.111 6.926 0.237 40 1HD1 LEU 5 HD13 LEU 5 11.320 8.039 2.118 41 2HD1 LEU 5 HD12 LEU 5 12.501 6.728 2.095 42 3HD1 LEU 5 HD11 LEU 5 12.345 7.799 0.703 43 1HD2 LEU 5 HD23 LEU 5 11.340 4.316 0.630 44 2HD2 LEU 5 HD21 LEU 5 11.008 5.177 -0.874 45 3HD2 LEU 5 HD22 LEU 5 12.503 5.486 0.009 46 H ASN 6 HN ASN 6 7.650 5.819 3.967 47 HA ASN 6 HA ASN 6 6.836 4.319 5.581 48 1HB ASN 6 HB1 ASN 6 4.775 3.468 5.007 49 2HB ASN 6 HB2 ASN 6 5.009 4.514 3.616 50 1HD2 ASN 6 HD22 ASN 6 4.469 1.754 1.500 51 2HD2 ASN 6 HD21 ASN 6 4.082 3.358 1.900 52 HA PRO 7 HA PRO 7 9.044 0.512 5.458 53 1HB PRO 7 HB1 PRO 7 7.297 -1.360 6.469 54 2HB PRO 7 HB2 PRO 7 8.077 -0.111 7.455 55 1HG PRO 7 HG1 PRO 7 5.250 -0.293 6.508 56 2HG PRO 7 HG2 PRO 7 5.905 0.554 7.920 57 1HD PRO 7 HD1 PRO 7 5.161 1.712 5.418 58 2HD PRO 7 HD2 PRO 7 6.024 2.524 6.743 59 H HIS 8 HN HIS 8 8.022 0.993 2.863 60 HA HIS 8 HA HIS 8 7.977 -1.691 1.752 61 1HB HIS 8 HB1 HIS 8 5.453 -0.056 1.901 62 2HB HIS 8 HB2 HIS 8 5.710 -1.178 0.568 63 HD1 HIS 8 HD1 HIS 8 6.374 -3.738 1.418 64 HD2 HIS 8 HD2 HIS 8 4.443 -1.267 4.165 65 HE1 HIS 8 HE1 HIS 8 5.391 -5.262 3.185 66 H ASP 9 HN ASP 9 7.037 -1.211 -0.769 67 HA ASP 9 HA ASP 9 9.123 0.330 -1.979 68 1HB ASP 9 HB1 ASP 9 7.350 -1.514 -2.898 69 2HB ASP 9 HB2 ASP 9 6.628 -0.037 -3.536 70 H THR 10 HN THR 10 5.772 1.114 -1.158 71 HA THR 10 HA THR 10 4.693 3.171 -0.974 72 HB THR 10 HB THR 10 6.828 5.046 -1.303 73 HG1 THR 10 HG1 THR 10 8.461 3.865 -0.738 74 1HG2 THR 10 HG21 THR 10 4.749 4.862 0.273 75 2HG2 THR 10 HG23 THR 10 5.857 4.002 1.332 76 3HG2 THR 10 HG22 THR 10 6.206 5.649 0.852 77 H GLN 11 HN GLN 11 4.537 5.389 -2.130 78 HA GLN 11 HA GLN 11 5.493 5.826 -4.737 79 1HB GLN 11 HB1 GLN 11 4.317 3.897 -5.525 80 2HB GLN 11 HB2 GLN 11 2.891 4.288 -4.567 81 1HG GLN 11 HG1 GLN 11 2.365 6.164 -5.961 82 2HG GLN 11 HG2 GLN 11 3.937 6.096 -6.758 83 1HE2 GLN 11 HE22 GLN 11 3.013 3.169 -8.716 84 2HE2 GLN 11 HE21 GLN 11 4.339 3.817 -7.878 85 H THR 12 HN THR 12 5.523 7.797 -3.480 86 HA THR 12 HA THR 12 3.787 9.287 -2.155 87 HB THR 12 HB THR 12 4.527 11.318 -3.422 88 HG1 THR 12 HG1 THR 12 6.102 9.602 -4.975 89 1HG2 THR 12 HG22 THR 12 6.637 9.238 -2.785 90 2HG2 THR 12 HG21 THR 12 6.945 10.965 -2.968 91 3HG2 THR 12 HG23 THR 12 5.929 10.385 -1.649 92 H CYS 13 HN CYS 13 1.993 10.615 -2.444 93 HA CYS 13 HA CYS 13 0.432 10.216 -4.967 94 1HB CYS 13 HB1 CYS 13 -0.650 8.986 -3.158 95 2HB CYS 13 HB2 CYS 13 -0.539 10.386 -2.096 96 HA PRO 14 HA PRO 14 1.161 14.726 -4.050 97 1HB PRO 14 HB1 PRO 14 2.346 15.300 -6.467 98 2HB PRO 14 HB2 PRO 14 3.242 14.798 -5.024 99 1HG PRO 14 HG1 PRO 14 2.555 13.229 -7.481 100 2HG PRO 14 HG2 PRO 14 3.939 13.050 -6.389 101 1HD PRO 14 HD1 PRO 14 1.618 11.429 -6.414 102 2HD PRO 14 HD2 PRO 14 2.825 11.502 -5.114 103 H SER 15 HN SER 15 0.590 13.680 -7.440 104 HA SER 15 HA SER 15 -1.663 15.616 -7.565 105 1HB SER 15 HB1 SER 15 -0.598 14.028 -9.895 106 2HB SER 15 HB2 SER 15 -1.410 15.591 -9.908 107 HG SER 15 HG SER 15 1.060 15.384 -10.066 108 H GLY 16 HN GLY 16 -3.393 14.633 -9.312 109 1HA GLY 16 HA1 GLY 16 -4.978 12.933 -9.767 110 2HA GLY 16 HA2 GLY 16 -3.967 11.798 -8.870 111 H GLN 17 HN GLN 17 -4.017 12.036 -6.463 112 HA GLN 17 HA GLN 17 -6.461 13.369 -5.423 113 1HB GLN 17 HB1 GLN 17 -5.752 10.461 -4.917 114 2HB GLN 17 HB2 GLN 17 -7.088 11.337 -4.169 115 1HG GLN 17 HG1 GLN 17 -8.363 10.741 -5.931 116 2HG GLN 17 HG2 GLN 17 -7.353 11.775 -6.939 117 1HE2 GLN 17 HE22 GLN 17 -6.017 9.028 -8.672 118 2HE2 GLN 17 HE21 GLN 17 -6.388 10.684 -8.652 119 H GLU 18 HN GLU 18 -6.199 12.234 -2.802 120 HA GLU 18 HA GLU 18 -3.444 13.037 -2.000 121 1HB GLU 18 HB1 GLU 18 -6.056 14.178 -0.997 122 2HB GLU 18 HB2 GLU 18 -4.586 14.240 -0.023 123 1HG GLU 18 HG1 GLU 18 -4.352 15.115 -2.860 124 2HG GLU 18 HG2 GLU 18 -5.247 16.180 -1.774 125 H ILE 19 HN ILE 19 -5.190 10.497 -2.153 126 HA ILE 19 HA ILE 19 -5.059 9.722 0.727 127 HB ILE 19 HB ILE 19 -6.336 8.133 -1.481 128 1HG1 ILE 19 HG11 ILE 19 -7.082 10.768 -0.776 129 2HG1 ILE 19 HG12 ILE 19 -8.025 9.622 -1.713 130 1HG2 ILE 19 HG21 ILE 19 -5.891 7.188 0.828 131 2HG2 ILE 19 HG23 ILE 19 -7.035 8.368 1.458 132 3HG2 ILE 19 HG22 ILE 19 -7.579 7.135 0.319 133 1HD1 ILE 19 HD12 ILE 19 -8.971 8.731 0.436 134 2HD1 ILE 19 HD13 ILE 19 -8.114 10.013 1.292 135 3HD1 ILE 19 HD11 ILE 19 -9.383 10.419 0.137 136 H CYS 20 HN CYS 20 -4.148 7.643 1.195 137 HA CYS 20 HA CYS 20 -2.203 6.698 -0.872 138 1HB CYS 20 HB1 CYS 20 -1.189 8.017 1.087 139 2HB CYS 20 HB2 CYS 20 -1.658 6.657 2.104 140 H TYR 21 HN TYR 21 -2.671 4.617 -1.408 141 HA TYR 21 HA TYR 21 -4.213 3.012 0.572 142 1HB TYR 21 HB1 TYR 21 -4.980 1.683 -1.216 143 2HB TYR 21 HB2 TYR 21 -4.918 3.296 -1.924 144 HD1 TYR 21 HD2 TYR 21 -2.952 0.137 -1.548 145 HD2 TYR 21 HD1 TYR 21 -3.571 3.736 -3.807 146 HE1 TYR 21 HE2 TYR 21 -1.367 -0.676 -3.274 147 HE2 TYR 21 HE1 TYR 21 -1.986 2.925 -5.536 148 HH TYR 21 HH TYR 21 -0.373 -0.243 -5.204 149 H VAL 22 HN VAL 22 -3.488 0.787 1.001 150 HA VAL 22 HA VAL 22 -0.571 0.473 0.439 151 HB VAL 22 HB VAL 22 -0.199 -0.362 2.664 152 1HG1 VAL 22 HG13 VAL 22 -1.944 2.120 2.659 153 2HG1 VAL 22 HG11 VAL 22 -1.002 1.590 4.052 154 3HG1 VAL 22 HG12 VAL 22 -0.185 2.058 2.562 155 1HG2 VAL 22 HG23 VAL 22 -3.202 -0.371 2.765 156 2HG2 VAL 22 HG22 VAL 22 -2.075 -1.663 3.176 157 3HG2 VAL 22 HG21 VAL 22 -2.261 -0.280 4.255 158 H LYS 23 HN LYS 23 -0.442 -1.195 -0.967 159 HA LYS 23 HA LYS 23 -2.341 -3.469 -0.689 160 1HB LYS 23 HB1 LYS 23 -0.544 -2.481 -2.902 161 2HB LYS 23 HB2 LYS 23 -1.175 -4.128 -2.924 162 1HG LYS 23 HG1 LYS 23 -3.430 -3.370 -2.997 163 2HG LYS 23 HG2 LYS 23 -2.971 -1.726 -2.549 164 1HD LYS 23 HD1 LYS 23 -2.999 -1.299 -4.777 165 2HD LYS 23 HD2 LYS 23 -1.472 -2.180 -4.831 166 1HE LYS 23 HE1 LYS 23 -3.891 -3.881 -4.843 167 2HE LYS 23 HE2 LYS 23 -3.690 -2.869 -6.274 168 1HZ LYS 23 HZ1 LYS 23 -1.240 -3.747 -6.076 169 2HZ LYS 23 HZ2 LYS 23 -1.999 -5.038 -5.272 170 3HZ LYS 23 HZ3 LYS 23 -2.436 -4.652 -6.868 171 H SER 24 HN SER 24 -1.615 -5.394 0.133 172 HA SER 24 HA SER 24 1.322 -5.859 0.171 173 1HB SER 24 HB1 SER 24 0.419 -6.990 2.544 174 2HB SER 24 HB2 SER 24 1.315 -5.480 2.399 175 HG SER 24 HG SER 24 -1.013 -5.667 3.386 176 H TRP 25 HN TRP 25 1.535 -7.657 -1.069 177 HA TRP 25 HA TRP 25 -0.129 -10.025 -0.344 178 1HB TRP 25 HB1 TRP 25 -0.475 -10.542 -2.721 179 2HB TRP 25 HB2 TRP 25 -1.144 -8.955 -2.334 180 HD1 TRP 25 HD1 TRP 25 1.333 -10.618 -4.571 181 HE1 TRP 25 HE1 TRP 25 2.583 -8.816 -5.940 182 HE3 TRP 25 HE3 TRP 25 -0.119 -6.514 -2.015 183 HZ2 TRP 25 HZ2 TRP 25 2.920 -5.946 -5.902 184 HZ3 TRP 25 HZ3 TRP 25 0.665 -4.299 -2.635 185 HH2 TRP 25 HH2 TRP 25 2.183 -3.966 -4.581 186 H CYS 26 HN CYS 26 1.116 -11.824 -0.130 187 HA CYS 26 HA CYS 26 3.944 -11.679 -1.041 188 1HB CYS 26 HB1 CYS 26 4.188 -12.407 1.110 189 2HB CYS 26 HB2 CYS 26 2.514 -12.926 1.219 190 H ASN 27 HN ASN 27 4.794 -13.934 -1.831 191 HA ASN 27 HA ASN 27 2.822 -14.944 -3.826 192 1HB ASN 27 HB1 ASN 27 5.845 -15.204 -3.764 193 2HB ASN 27 HB2 ASN 27 4.792 -15.768 -5.060 194 1HD2 ASN 27 HD22 ASN 27 5.847 -12.487 -6.272 195 2HD2 ASN 27 HD21 ASN 27 6.437 -14.075 -6.160 196 H ALA 28 HN ALA 28 4.052 -17.414 -4.380 197 HA ALA 28 HA ALA 28 3.174 -18.920 -2.027 198 1HB ALA 28 HB2 ALA 28 4.032 -19.737 -4.799 199 2HB ALA 28 HB1 ALA 28 3.646 -20.912 -3.541 200 3HB ALA 28 HB3 ALA 28 2.408 -19.793 -4.112 201 H TRP 29 HN TRP 29 6.022 -17.547 -2.840 202 HA TRP 29 HA TRP 29 7.518 -19.524 -1.209 203 1HB TRP 29 HB1 TRP 29 8.439 -18.380 -3.834 204 2HB TRP 29 HB2 TRP 29 9.421 -19.330 -2.754 205 HD1 TRP 29 HD1 TRP 29 5.919 -19.772 -4.422 206 HE1 TRP 29 HE1 TRP 29 5.762 -22.240 -5.182 207 HE3 TRP 29 HE3 TRP 29 10.407 -21.414 -2.808 208 HZ2 TRP 29 HZ2 TRP 29 7.381 -24.624 -5.097 209 HZ3 TRP 29 HZ3 TRP 29 11.121 -23.786 -3.137 210 HH2 TRP 29 HH2 TRP 29 9.604 -25.388 -4.282 211 H CYS 30 HN CYS 30 6.430 -16.646 -0.890 212 HA CYS 30 HA CYS 30 8.750 -14.931 -0.797 213 1HB CYS 30 HB1 CYS 30 7.381 -13.341 0.331 214 2HB CYS 30 HB2 CYS 30 6.376 -14.124 -0.885 215 H SER 31 HN SER 31 8.655 -17.602 0.905 216 HA SER 31 HA SER 31 8.686 -17.141 3.626 217 1HB SER 31 HB1 SER 31 9.242 -19.335 2.740 218 2HB SER 31 HB2 SER 31 10.715 -18.707 2.004 219 HG SER 31 HG SER 31 10.702 -19.776 4.252 220 H SER 32 HN SER 32 9.280 -14.991 4.097 221 HA SER 32 HA SER 32 10.699 -13.124 4.305 222 1HB SER 32 HB1 SER 32 12.926 -14.954 4.998 223 2HB SER 32 HB2 SER 32 12.327 -13.537 5.854 224 HG SER 32 HG SER 32 11.815 -16.016 6.438 225 H ARG 33 HN ARG 33 10.688 -12.967 1.949 226 HA ARG 33 HA ARG 33 13.479 -13.213 0.915 227 1HB ARG 33 HB1 ARG 33 10.944 -14.217 -0.319 228 2HB ARG 33 HB2 ARG 33 12.205 -13.592 -1.382 229 1HG ARG 33 HG1 ARG 33 12.923 -15.547 0.785 230 2HG ARG 33 HG2 ARG 33 12.215 -16.135 -0.720 231 1HD ARG 33 HD1 ARG 33 14.530 -16.187 -1.156 232 2HD ARG 33 HD2 ARG 33 14.022 -14.659 -1.876 233 HE ARG 33 HE ARG 33 15.068 -13.491 -0.033 234 1HH1 ARG 33 HH21 ARG 33 14.613 -16.600 1.107 235 2HH1 ARG 33 HH22 ARG 33 16.179 -16.761 1.832 236 1HH2 ARG 33 HH11 ARG 33 17.404 -13.820 0.462 237 2HH2 ARG 33 HH12 ARG 33 17.759 -15.185 1.467 238 H GLY 34 HN GLY 34 10.971 -12.135 -1.221 239 1HA GLY 34 HA1 GLY 34 11.518 -9.294 -0.546 240 2HA GLY 34 HA2 GLY 34 11.855 -9.846 -2.188 241 H LYS 35 HN LYS 35 9.179 -10.318 0.153 242 HA LYS 35 HA LYS 35 7.088 -10.695 -1.624 243 1HB LYS 35 HB1 LYS 35 6.768 -8.831 0.730 244 2HB LYS 35 HB2 LYS 35 5.609 -9.994 0.087 245 1HG LYS 35 HG1 LYS 35 6.364 -11.406 1.688 246 2HG LYS 35 HG2 LYS 35 7.819 -11.561 0.703 247 1HD LYS 35 HD1 LYS 35 8.472 -10.946 2.967 248 2HD LYS 35 HD2 LYS 35 8.769 -9.571 1.902 249 1HE LYS 35 HE1 LYS 35 7.352 -8.292 3.097 250 2HE LYS 35 HE2 LYS 35 6.059 -9.473 2.893 251 1HZ LYS 35 HZ1 LYS 35 8.217 -9.669 4.922 252 2HZ LYS 35 HZ2 LYS 35 6.651 -9.087 5.232 253 3HZ LYS 35 HZ3 LYS 35 6.882 -10.704 4.762 254 H VAL 36 HN VAL 36 5.516 -9.198 -2.577 255 HA VAL 36 HA VAL 36 6.820 -6.644 -3.397 256 HB VAL 36 HB VAL 36 4.333 -7.338 -4.777 257 1HG1 VAL 36 HG13 VAL 36 6.555 -5.842 -5.273 258 2HG1 VAL 36 HG12 VAL 36 6.931 -7.299 -6.193 259 3HG1 VAL 36 HG11 VAL 36 5.450 -6.400 -6.528 260 1HG2 VAL 36 HG22 VAL 36 6.591 -9.338 -4.645 261 2HG2 VAL 36 HG21 VAL 36 4.855 -9.630 -4.537 262 3HG2 VAL 36 HG23 VAL 36 5.581 -9.206 -6.087 263 H LEU 37 HN LEU 37 6.104 -5.934 -1.120 264 HA LEU 37 HA LEU 37 3.224 -5.222 -1.057 265 1HB LEU 37 HB1 LEU 37 5.388 -5.534 1.016 266 2HB LEU 37 HB2 LEU 37 3.895 -4.686 1.379 267 HG LEU 37 HG LEU 37 2.611 -6.609 1.239 268 1HD1 LEU 37 HD13 LEU 37 3.274 -7.151 -1.096 269 2HD1 LEU 37 HD12 LEU 37 4.754 -7.889 -0.487 270 3HD1 LEU 37 HD11 LEU 37 3.187 -8.594 -0.089 271 1HD2 LEU 37 HD21 LEU 37 5.372 -7.307 2.142 272 2HD2 LEU 37 HD23 LEU 37 3.885 -7.182 3.083 273 3HD2 LEU 37 HD22 LEU 37 4.156 -8.581 2.044 274 H GLU 38 HN GLU 38 2.954 -3.218 -2.006 275 HA GLU 38 HA GLU 38 4.725 -1.029 -1.021 276 1HB GLU 38 HB1 GLU 38 4.768 -0.066 -3.303 277 2HB GLU 38 HB2 GLU 38 5.524 -1.659 -3.252 278 1HG GLU 38 HG1 GLU 38 2.755 -2.074 -3.725 279 2HG GLU 38 HG2 GLU 38 3.272 -0.789 -4.817 280 H PHE 39 HN PHE 39 3.708 0.988 -0.841 281 HA PHE 39 HA PHE 39 0.762 0.964 -1.207 282 1HB PHE 39 HB1 PHE 39 2.297 2.737 0.701 283 2HB PHE 39 HB2 PHE 39 0.565 2.403 0.693 284 HD1 PHE 39 HD2 PHE 39 1.052 -0.648 0.015 285 HD2 PHE 39 HD1 PHE 39 2.537 2.007 3.050 286 HE1 PHE 39 HE2 PHE 39 1.420 -2.581 1.523 287 HE2 PHE 39 HE1 PHE 39 2.904 0.072 4.560 288 HZ PHE 39 HZ PHE 39 2.348 -2.223 3.796 289 H GLY 40 HN GLY 40 -0.158 2.824 -2.269 290 1HA GLY 40 HA1 GLY 40 1.823 4.843 -3.201 291 2HA GLY 40 HA2 GLY 40 0.831 4.010 -4.392 292 H CYS 41 HN CYS 41 -0.328 5.774 -5.114 293 HA CYS 41 HA CYS 41 -1.734 7.477 -3.162 294 1HB CYS 41 HB1 CYS 41 -0.520 8.610 -4.931 295 2HB CYS 41 HB2 CYS 41 -1.358 7.686 -6.162 296 H ALA 42 HN ALA 42 -3.946 7.980 -3.564 297 HA ALA 42 HA ALA 42 -5.633 6.383 -5.275 298 1HB ALA 42 HB2 ALA 42 -4.819 5.059 -2.973 299 2HB ALA 42 HB1 ALA 42 -6.405 5.699 -2.541 300 3HB ALA 42 HB3 ALA 42 -6.229 4.654 -3.950 301 H ALA 43 HN ALA 43 -8.008 6.591 -4.343 302 HA ALA 43 HA ALA 43 -8.350 9.425 -3.521 303 1HB ALA 43 HB1 ALA 43 -10.004 7.593 -5.252 304 2HB ALA 43 HB3 ALA 43 -10.670 9.080 -4.577 305 3HB ALA 43 HB2 ALA 43 -9.294 9.149 -5.678 306 H THR 44 HN THR 44 -9.603 6.122 -3.030 307 HA THR 44 HA THR 44 -10.432 6.921 -0.313 308 HB THR 44 HB THR 44 -12.428 7.332 -1.734 309 HG1 THR 44 HG1 THR 44 -13.588 6.548 -0.178 310 1HG2 THR 44 HG23 THR 44 -11.813 5.620 -3.463 311 2HG2 THR 44 HG22 THR 44 -12.291 4.365 -2.321 312 3HG2 THR 44 HG21 THR 44 -13.489 5.509 -2.925 313 H CYS 45 HN CYS 45 -10.073 5.274 1.099 314 HA CYS 45 HA CYS 45 -8.530 3.128 0.754 315 1HB CYS 45 HB1 CYS 45 -9.563 3.906 2.893 316 2HB CYS 45 HB2 CYS 45 -11.029 3.046 2.435 317 HA PRO 46 HA PRO 46 -11.146 0.736 -2.068 318 1HB PRO 46 HB1 PRO 46 -9.086 -0.789 -3.074 319 2HB PRO 46 HB2 PRO 46 -9.493 0.831 -3.665 320 1HG PRO 46 HG1 PRO 46 -7.197 -0.047 -1.983 321 2HG PRO 46 HG2 PRO 46 -7.343 1.378 -3.020 322 1HD PRO 46 HD1 PRO 46 -7.599 1.273 -0.174 323 2HD PRO 46 HD2 PRO 46 -7.910 2.671 -1.226 324 H SER 47 HN SER 47 -10.951 -1.882 -2.500 325 HA SER 47 HA SER 47 -10.853 -3.085 0.235 326 1HB SER 47 HB1 SER 47 -13.012 -3.012 -1.317 327 2HB SER 47 HB2 SER 47 -12.251 -4.421 -2.049 328 HG SER 47 HG SER 47 -12.911 -4.062 0.678 329 H VAL 48 HN VAL 48 -11.039 -5.786 -0.981 330 HA VAL 48 HA VAL 48 -8.182 -6.038 -1.772 331 HB VAL 48 HB VAL 48 -10.076 -7.913 -0.424 332 1HG1 VAL 48 HG11 VAL 48 -7.952 -8.575 -2.232 333 2HG1 VAL 48 HG13 VAL 48 -7.484 -9.055 -0.601 334 3HG1 VAL 48 HG12 VAL 48 -8.979 -9.669 -1.306 335 1HG2 VAL 48 HG21 VAL 48 -8.121 -6.069 0.463 336 2HG2 VAL 48 HG23 VAL 48 -9.011 -7.237 1.439 337 3HG2 VAL 48 HG22 VAL 48 -7.458 -7.681 0.733 338 H ASN 49 HN ASN 49 -8.788 -5.507 -4.024 339 HA ASN 49 HA ASN 49 -10.673 -6.768 -5.614 340 1HB ASN 49 HB1 ASN 49 -9.253 -4.986 -6.477 341 2HB ASN 49 HB2 ASN 49 -7.830 -6.020 -6.353 342 1HD2 ASN 49 HD22 ASN 49 -8.373 -7.079 -9.666 343 2HD2 ASN 49 HD21 ASN 49 -7.285 -6.483 -8.507 344 H THR 50 HN THR 50 -7.503 -7.850 -6.568 345 HA THR 50 HA THR 50 -8.426 -10.587 -6.789 346 HB THR 50 HB THR 50 -6.649 -9.429 -8.229 347 HG1 THR 50 HG1 THR 50 -5.359 -11.402 -8.244 348 1HG2 THR 50 HG23 THR 50 -5.452 -9.093 -5.700 349 2HG2 THR 50 HG22 THR 50 -4.454 -10.271 -6.552 350 3HG2 THR 50 HG21 THR 50 -4.757 -8.689 -7.270 351 H GLY 51 HN GLY 51 -5.679 -11.569 -5.776 352 1HA GLY 51 HA1 GLY 51 -6.562 -11.973 -2.990 353 2HA GLY 51 HA2 GLY 51 -5.219 -12.805 -3.782 354 H THR 52 HN THR 52 -5.856 -9.319 -3.632 355 HA THR 52 HA THR 52 -3.184 -8.956 -2.372 356 HB THR 52 HB THR 52 -4.916 -7.253 -4.168 357 HG1 THR 52 HG1 THR 52 -2.310 -8.318 -4.171 358 1HG2 THR 52 HG22 THR 52 -3.175 -6.336 -2.007 359 2HG2 THR 52 HG21 THR 52 -2.651 -5.738 -3.581 360 3HG2 THR 52 HG23 THR 52 -4.289 -5.414 -3.016 361 H GLU 53 HN GLU 53 -3.082 -8.081 -0.325 362 HA GLU 53 HA GLU 53 -5.637 -7.494 1.019 363 1HB GLU 53 HB1 GLU 53 -2.952 -7.225 2.336 364 2HB GLU 53 HB2 GLU 53 -4.486 -7.749 3.033 365 1HG GLU 53 HG1 GLU 53 -3.956 -9.595 0.988 366 2HG GLU 53 HG2 GLU 53 -2.400 -9.337 1.778 367 H ILE 54 HN ILE 54 -6.341 -5.446 0.389 368 HA ILE 54 HA ILE 54 -4.361 -3.245 0.416 369 HB ILE 54 HB ILE 54 -6.729 -3.833 -1.104 370 1HG1 ILE 54 HG11 ILE 54 -5.396 -1.243 -1.523 371 2HG1 ILE 54 HG12 ILE 54 -4.293 -2.617 -1.441 372 1HG2 ILE 54 HG23 ILE 54 -6.832 -1.260 0.487 373 2HG2 ILE 54 HG22 ILE 54 -7.736 -1.502 -1.005 374 3HG2 ILE 54 HG21 ILE 54 -8.063 -2.517 0.400 375 1HD1 ILE 54 HD13 ILE 54 -5.886 -3.787 -3.083 376 2HD1 ILE 54 HD11 ILE 54 -6.618 -2.201 -3.329 377 3HD1 ILE 54 HD12 ILE 54 -4.922 -2.461 -3.735 378 H LYS 55 HN LYS 55 -4.973 -1.240 1.550 379 HA LYS 55 HA LYS 55 -6.986 -1.416 3.663 380 1HB LYS 55 HB1 LYS 55 -4.050 -1.657 4.207 381 2HB LYS 55 HB2 LYS 55 -5.048 -0.753 5.345 382 1HG LYS 55 HG1 LYS 55 -6.611 -2.772 5.356 383 2HG LYS 55 HG2 LYS 55 -5.341 -3.643 4.494 384 1HD LYS 55 HD1 LYS 55 -3.927 -2.509 6.552 385 2HD LYS 55 HD2 LYS 55 -5.480 -2.824 7.328 386 1HE LYS 55 HE1 LYS 55 -5.009 -5.135 5.853 387 2HE LYS 55 HE2 LYS 55 -3.412 -4.708 6.468 388 1HZ LYS 55 HZ3 LYS 55 -5.665 -4.547 8.321 389 2HZ LYS 55 HZ1 LYS 55 -5.122 -6.095 7.890 390 3HZ LYS 55 HZ2 LYS 55 -4.050 -4.989 8.610 391 H CYS 56 HN CYS 56 -6.616 0.714 5.102 392 HA CYS 56 HA CYS 56 -6.356 2.908 3.112 393 1HB CYS 56 HB1 CYS 56 -7.290 3.482 5.879 394 2HB CYS 56 HB2 CYS 56 -7.910 4.074 4.339 395 H CYS 57 HN CYS 57 -4.851 4.535 3.362 396 HA CYS 57 HA CYS 57 -3.287 4.767 5.839 397 1HB CYS 57 HB1 CYS 57 -2.207 2.877 4.636 398 2HB CYS 57 HB2 CYS 57 -1.957 3.929 3.246 399 H SER 58 HN SER 58 -2.088 6.710 5.897 400 HA SER 58 HA SER 58 -2.362 8.455 3.520 401 1HB SER 58 HB1 SER 58 -3.780 8.778 5.947 402 2HB SER 58 HB2 SER 58 -2.548 10.037 5.909 403 HG SER 58 HG SER 58 -3.341 10.213 3.576 404 H ALA 59 HN ALA 59 -0.466 7.259 6.032 405 HA ALA 59 HA ALA 59 1.879 8.661 5.014 406 1HB ALA 59 HB2 ALA 59 0.727 9.348 7.725 407 2HB ALA 59 HB1 ALA 59 2.424 9.618 7.327 408 3HB ALA 59 HB3 ALA 59 1.163 10.452 6.420 409 H ASP 60 HN ASP 60 2.310 8.012 8.286 410 HA ASP 60 HA ASP 60 3.471 5.359 7.648 411 1HB ASP 60 HB1 ASP 60 4.850 7.149 8.839 412 2HB ASP 60 HB2 ASP 60 3.759 6.956 10.212 413 H LYS 61 HN LYS 61 0.647 5.844 7.835 414 HA LYS 61 HA LYS 61 -0.071 4.417 10.331 415 1HB LYS 61 HB1 LYS 61 -1.317 6.445 10.179 416 2HB LYS 61 HB2 LYS 61 -1.651 6.188 8.466 417 1HG LYS 61 HG1 LYS 61 -3.258 4.549 8.894 418 2HG LYS 61 HG2 LYS 61 -2.583 4.157 10.474 419 1HD LYS 61 HD1 LYS 61 -3.772 5.796 11.516 420 2HD LYS 61 HD2 LYS 61 -3.512 6.945 10.203 421 1HE LYS 61 HE1 LYS 61 -5.389 6.245 9.043 422 2HE LYS 61 HE2 LYS 61 -5.306 4.607 9.689 423 1HZ LYS 61 HZ1 LYS 61 -6.056 7.009 11.266 424 2HZ LYS 61 HZ2 LYS 61 -7.163 5.904 10.601 425 3HZ LYS 61 HZ3 LYS 61 -6.075 5.400 11.805 426 H CYS 62 HN CYS 62 0.703 3.761 7.241 427 HA CYS 62 HA CYS 62 -1.337 2.217 6.121 428 1HB CYS 62 HB1 CYS 62 1.631 1.599 6.153 429 2HB CYS 62 HB2 CYS 62 0.461 0.899 5.038 430 H ASN 63 HN ASN 63 1.057 1.204 8.568 431 HA ASN 63 HA ASN 63 -0.747 -1.072 9.199 432 1HB ASN 63 HB1 ASN 63 1.221 -2.456 9.628 433 2HB ASN 63 HB2 ASN 63 1.276 -1.847 7.978 434 1HD2 ASN 63 HD22 ASN 63 4.517 -1.240 10.002 435 2HD2 ASN 63 HD21 ASN 63 3.500 -2.600 9.995 436 H THR 64 HN THR 64 -0.598 1.566 10.443 437 HA THR 64 HA THR 64 0.014 0.669 13.207 438 HB THR 64 HB THR 64 0.848 3.387 12.990 439 HG1 THR 64 HG1 THR 64 2.263 1.615 11.295 440 1HG2 THR 64 HG22 THR 64 1.468 1.591 14.641 441 2HG2 THR 64 HG21 THR 64 2.471 0.867 13.384 442 3HG2 THR 64 HG23 THR 64 2.844 2.481 13.991 443 H TYR 65 HN TYR 65 -1.572 1.372 14.606 444 HA TYR 65 HA TYR 65 -3.957 2.431 13.782 445 1HB TYR 65 HB1 TYR 65 -3.298 1.504 16.107 446 2HB TYR 65 HB2 TYR 65 -2.888 3.174 16.490 447 HD1 TYR 65 HD2 TYR 65 -5.652 1.065 15.112 448 HD2 TYR 65 HD1 TYR 65 -4.557 4.694 17.137 449 HE1 TYR 65 HE2 TYR 65 -8.049 1.571 15.500 450 HE2 TYR 65 HE1 TYR 65 -6.956 5.202 17.523 451 HH TYR 65 HH TYR 65 -9.508 2.958 16.429 452 HA PRO 66 HA PRO 66 -2.427 6.866 14.656 453 1HB PRO 66 HB1 PRO 66 0.275 7.212 15.057 454 2HB PRO 66 HB2 PRO 66 -0.887 6.935 16.365 455 1HG PRO 66 HG1 PRO 66 1.120 5.068 15.179 456 2HG PRO 66 HG2 PRO 66 0.414 5.066 16.802 457 1HD PRO 66 HD1 PRO 66 -0.318 3.386 14.630 458 2HD PRO 66 HD2 PRO 66 -1.193 3.563 16.161 No H/Q in entry = 458 Start of MODEL 6 1 1H ARG 1 HT1 ARG 1 1.542 14.258 -0.883 2 2H ARG 1 HT2 ARG 1 2.240 14.308 -2.431 3 3H ARG 1 HT3 ARG 1 1.097 13.110 -2.051 4 HA ARG 1 HA ARG 1 3.074 11.957 -1.900 5 1HB ARG 1 HB1 ARG 1 4.104 14.599 -1.429 6 2HB ARG 1 HB2 ARG 1 4.724 13.500 -0.196 7 1HG ARG 1 HG1 ARG 1 5.894 12.240 -1.723 8 2HG ARG 1 HG2 ARG 1 4.703 12.495 -3.000 9 1HD ARG 1 HD1 ARG 1 6.816 13.670 -3.510 10 2HD ARG 1 HD2 ARG 1 5.497 14.817 -3.272 11 HE ARG 1 HE ARG 1 7.304 14.196 -0.986 12 1HH1 ARG 1 HH11 ARG 1 6.276 16.231 0.181 13 2HH1 ARG 1 HH12 ARG 1 6.750 17.707 -0.592 14 1HH2 ARG 1 HH21 ARG 1 7.794 16.152 -3.511 15 2HH2 ARG 1 HH22 ARG 1 7.610 17.662 -2.682 16 H GLU 2 HN GLU 2 1.671 10.692 -0.534 17 HA GLU 2 HA GLU 2 2.259 11.072 2.363 18 1HB GLU 2 HB1 GLU 2 -0.359 11.065 1.024 19 2HB GLU 2 HB2 GLU 2 -0.252 9.925 2.366 20 1HG GLU 2 HG1 GLU 2 0.392 11.668 3.894 21 2HG GLU 2 HG2 GLU 2 0.610 12.823 2.577 22 H CYS 3 HN CYS 3 3.724 9.378 0.820 23 HA CYS 3 HA CYS 3 3.037 6.768 1.984 24 1HB CYS 3 HB1 CYS 3 3.653 6.867 -0.961 25 2HB CYS 3 HB2 CYS 3 2.950 5.543 -0.035 26 H TYR 4 HN TYR 4 5.186 8.640 -0.080 27 HA TYR 4 HA TYR 4 7.518 8.463 -0.425 28 1HB TYR 4 HB1 TYR 4 8.567 8.244 2.077 29 2HB TYR 4 HB2 TYR 4 7.966 9.752 1.389 30 HD1 TYR 4 HD1 TYR 4 5.360 10.174 1.675 31 HD2 TYR 4 HD2 TYR 4 7.655 7.469 4.101 32 HE1 TYR 4 HE1 TYR 4 3.621 10.282 3.442 33 HE2 TYR 4 HE2 TYR 4 5.916 7.576 5.867 34 HH TYR 4 HH TYR 4 3.973 9.639 6.407 35 H LEU 5 HN LEU 5 7.787 6.514 2.484 36 HA LEU 5 HA LEU 5 8.101 4.097 0.943 37 1HB LEU 5 HB1 LEU 5 10.302 4.815 2.779 38 2HB LEU 5 HB2 LEU 5 10.300 3.659 1.458 39 HG LEU 5 HG LEU 5 9.868 5.765 -0.033 40 1HD1 LEU 5 HD13 LEU 5 9.915 6.992 2.452 41 2HD1 LEU 5 HD12 LEU 5 11.527 7.315 1.813 42 3HD1 LEU 5 HD11 LEU 5 10.100 7.809 0.901 43 1HD2 LEU 5 HD23 LEU 5 12.365 4.689 1.162 44 2HD2 LEU 5 HD21 LEU 5 11.903 4.829 -0.533 45 3HD2 LEU 5 HD22 LEU 5 12.516 6.238 0.333 46 H ASN 6 HN ASN 6 6.159 3.616 2.248 47 HA ASN 6 HA ASN 6 6.577 3.407 5.130 48 1HB ASN 6 HB1 ASN 6 4.216 1.973 4.208 49 2HB ASN 6 HB2 ASN 6 4.347 3.337 5.295 50 1HD2 ASN 6 HD22 ASN 6 3.451 4.049 1.357 51 2HD2 ASN 6 HD21 ASN 6 3.858 2.486 1.841 52 HA PRO 7 HA PRO 7 6.857 -1.243 4.488 53 1HB PRO 7 HB1 PRO 7 5.999 -2.412 2.162 54 2HB PRO 7 HB2 PRO 7 4.913 -2.049 3.513 55 1HG PRO 7 HG1 PRO 7 5.191 -0.677 0.879 56 2HG PRO 7 HG2 PRO 7 3.793 -0.749 1.959 57 1HD PRO 7 HD1 PRO 7 5.632 1.421 1.672 58 2HD PRO 7 HD2 PRO 7 4.350 1.236 2.875 59 H HIS 8 HN HIS 8 6.950 -1.147 0.987 60 HA HIS 8 HA HIS 8 9.813 -0.582 0.799 61 1HB HIS 8 HB1 HIS 8 9.182 -3.152 -0.510 62 2HB HIS 8 HB2 HIS 8 10.601 -2.696 0.430 63 HD1 HIS 8 HD1 HIS 8 6.942 -3.557 1.066 64 HD2 HIS 8 HD2 HIS 8 10.646 -3.908 2.932 65 HE1 HIS 8 HE1 HIS 8 6.530 -4.851 3.207 66 H ASP 9 HN ASP 9 10.237 0.227 -1.281 67 HA ASP 9 HA ASP 9 9.837 0.728 -3.570 68 1HB ASP 9 HB1 ASP 9 8.254 -1.556 -3.217 69 2HB ASP 9 HB2 ASP 9 7.138 -0.334 -3.828 70 H THR 10 HN THR 10 6.550 0.639 -2.147 71 HA THR 10 HA THR 10 5.076 2.375 -1.618 72 HB THR 10 HB THR 10 6.805 4.667 -1.863 73 HG1 THR 10 HG1 THR 10 7.811 2.379 -0.544 74 1HG2 THR 10 HG21 THR 10 5.505 3.160 0.413 75 2HG2 THR 10 HG23 THR 10 6.400 4.655 0.649 76 3HG2 THR 10 HG22 THR 10 4.953 4.651 -0.349 77 H GLN 11 HN GLN 11 4.625 4.816 -2.473 78 HA GLN 11 HA GLN 11 5.196 5.526 -5.137 79 1HB GLN 11 HB1 GLN 11 4.065 3.601 -5.963 80 2HB GLN 11 HB2 GLN 11 2.780 3.746 -4.765 81 1HG GLN 11 HG1 GLN 11 1.682 5.387 -5.951 82 2HG GLN 11 HG2 GLN 11 3.175 6.058 -6.606 83 1HE2 GLN 11 HE22 GLN 11 3.015 4.140 -9.567 84 2HE2 GLN 11 HE21 GLN 11 3.828 5.340 -8.685 85 H THR 12 HN THR 12 5.228 7.386 -3.618 86 HA THR 12 HA THR 12 3.274 8.497 -2.102 87 HB THR 12 HB THR 12 4.129 10.720 -2.776 88 HG1 THR 12 HG1 THR 12 5.296 10.943 -4.555 89 1HG2 THR 12 HG21 THR 12 5.761 8.417 -1.988 90 2HG2 THR 12 HG23 THR 12 6.705 9.722 -2.706 91 3HG2 THR 12 HG22 THR 12 5.695 10.038 -1.294 92 H CYS 13 HN CYS 13 1.800 10.380 -2.603 93 HA CYS 13 HA CYS 13 0.379 10.003 -5.207 94 1HB CYS 13 HB1 CYS 13 -0.904 8.935 -3.395 95 2HB CYS 13 HB2 CYS 13 -0.849 10.429 -2.466 96 HA PRO 14 HA PRO 14 1.241 14.514 -4.230 97 1HB PRO 14 HB1 PRO 14 3.209 14.938 -6.102 98 2HB PRO 14 HB2 PRO 14 3.540 14.457 -4.428 99 1HG PRO 14 HG1 PRO 14 3.665 12.830 -6.937 100 2HG PRO 14 HG2 PRO 14 4.565 12.626 -5.424 101 1HD PRO 14 HD1 PRO 14 2.293 11.127 -6.248 102 2HD PRO 14 HD2 PRO 14 3.012 11.151 -4.625 103 H SER 15 HN SER 15 -0.960 13.738 -5.629 104 HA SER 15 HA SER 15 -0.763 15.325 -8.143 105 1HB SER 15 HB1 SER 15 -2.606 13.038 -8.299 106 2HB SER 15 HB2 SER 15 -1.442 13.623 -9.484 107 HG SER 15 HG SER 15 0.210 12.682 -8.152 108 H GLY 16 HN GLY 16 -3.417 15.015 -8.959 109 1HA GLY 16 HA1 GLY 16 -4.827 16.975 -7.618 110 2HA GLY 16 HA2 GLY 16 -5.635 15.649 -8.454 111 H GLN 17 HN GLN 17 -5.708 13.542 -7.116 112 HA GLN 17 HA GLN 17 -6.944 14.127 -4.570 113 1HB GLN 17 HB1 GLN 17 -6.331 11.681 -6.161 114 2HB GLN 17 HB2 GLN 17 -6.574 11.464 -4.428 115 1HG GLN 17 HG1 GLN 17 -8.788 11.435 -4.921 116 2HG GLN 17 HG2 GLN 17 -8.629 13.180 -5.121 117 1HE2 GLN 17 HE22 GLN 17 -8.393 10.935 -8.571 118 2HE2 GLN 17 HE21 GLN 17 -7.653 10.353 -7.158 119 H GLU 18 HN GLU 18 -6.129 12.851 -2.537 120 HA GLU 18 HA GLU 18 -3.157 12.794 -2.454 121 1HB GLU 18 HB1 GLU 18 -3.036 14.225 -0.538 122 2HB GLU 18 HB2 GLU 18 -4.046 15.062 -1.717 123 1HG GLU 18 HG1 GLU 18 -6.032 13.894 -0.520 124 2HG GLU 18 HG2 GLU 18 -4.885 13.605 0.788 125 H ILE 19 HN ILE 19 -5.048 10.590 -2.412 126 HA ILE 19 HA ILE 19 -4.944 9.754 0.448 127 HB ILE 19 HB ILE 19 -6.245 8.240 -1.797 128 1HG1 ILE 19 HG11 ILE 19 -6.916 10.866 -1.161 129 2HG1 ILE 19 HG12 ILE 19 -7.965 9.709 -1.960 130 1HG2 ILE 19 HG21 ILE 19 -6.518 8.332 1.205 131 2HG2 ILE 19 HG22 ILE 19 -7.751 7.590 0.183 132 3HG2 ILE 19 HG23 ILE 19 -6.103 6.955 0.185 133 1HD1 ILE 19 HD13 ILE 19 -7.793 10.025 1.048 134 2HD1 ILE 19 HD11 ILE 19 -9.005 10.821 0.044 135 3HD1 ILE 19 HD12 ILE 19 -8.964 9.061 0.149 136 H CYS 20 HN CYS 20 -4.126 7.646 0.906 137 HA CYS 20 HA CYS 20 -2.213 6.609 -1.146 138 1HB CYS 20 HB1 CYS 20 -1.122 7.934 0.759 139 2HB CYS 20 HB2 CYS 20 -1.649 6.638 1.830 140 H TYR 21 HN TYR 21 -2.731 4.515 -1.614 141 HA TYR 21 HA TYR 21 -4.370 3.049 0.384 142 1HB TYR 21 HB1 TYR 21 -5.032 1.606 -1.369 143 2HB TYR 21 HB2 TYR 21 -4.987 3.199 -2.122 144 HD1 TYR 21 HD1 TYR 21 -2.947 3.865 -3.472 145 HD2 TYR 21 HD2 TYR 21 -3.610 -0.139 -2.068 146 HE1 TYR 21 HE1 TYR 21 -1.281 3.016 -5.106 147 HE2 TYR 21 HE2 TYR 21 -1.956 -0.986 -3.700 148 HH TYR 21 HH TYR 21 -1.037 0.325 -6.247 149 H VAL 22 HN VAL 22 -3.710 0.801 0.925 150 HA VAL 22 HA VAL 22 -0.759 0.476 0.606 151 HB VAL 22 HB VAL 22 -0.545 -0.220 2.884 152 1HG1 VAL 22 HG12 VAL 22 -2.383 2.178 2.615 153 2HG1 VAL 22 HG11 VAL 22 -1.591 1.735 4.127 154 3HG1 VAL 22 HG13 VAL 22 -0.622 2.186 2.724 155 1HG2 VAL 22 HG23 VAL 22 -3.479 -0.586 2.633 156 2HG2 VAL 22 HG22 VAL 22 -2.294 -1.547 3.521 157 3HG2 VAL 22 HG21 VAL 22 -2.895 -0.036 4.205 158 H LYS 23 HN LYS 23 -0.435 -1.273 -0.653 159 HA LYS 23 HA LYS 23 -2.236 -3.631 -0.289 160 1HB LYS 23 HB1 LYS 23 -1.321 -4.339 -2.548 161 2HB LYS 23 HB2 LYS 23 -2.303 -2.877 -2.579 162 1HG LYS 23 HG1 LYS 23 -0.420 -1.480 -2.848 163 2HG LYS 23 HG2 LYS 23 0.693 -2.713 -2.269 164 1HD LYS 23 HD1 LYS 23 0.934 -2.570 -4.676 165 2HD LYS 23 HD2 LYS 23 0.102 -4.080 -4.312 166 1HE LYS 23 HE1 LYS 23 -2.067 -2.624 -4.595 167 2HE LYS 23 HE2 LYS 23 -0.997 -1.558 -5.504 168 1HZ LYS 23 HZ2 LYS 23 -0.520 -4.209 -6.287 169 2HZ LYS 23 HZ3 LYS 23 -2.194 -3.922 -6.363 170 3HZ LYS 23 HZ1 LYS 23 -1.123 -2.923 -7.220 171 H SER 24 HN SER 24 -1.321 -5.408 0.668 172 HA SER 24 HA SER 24 1.651 -5.649 0.579 173 1HB SER 24 HB1 SER 24 -0.152 -5.612 2.986 174 2HB SER 24 HB2 SER 24 1.374 -6.492 3.032 175 HG SER 24 HG SER 24 1.166 -4.033 3.538 176 H TRP 25 HN TRP 25 2.061 -7.557 -0.392 177 HA TRP 25 HA TRP 25 0.678 -10.008 0.581 178 1HB TRP 25 HB1 TRP 25 0.245 -10.768 -1.704 179 2HB TRP 25 HB2 TRP 25 -0.531 -9.199 -1.459 180 HD1 TRP 25 HD1 TRP 25 2.028 -10.905 -3.580 181 HE1 TRP 25 HE1 TRP 25 3.112 -9.172 -5.163 182 HE3 TRP 25 HE3 TRP 25 0.295 -6.694 -1.437 183 HZ2 TRP 25 HZ2 TRP 25 3.226 -6.292 -5.426 184 HZ3 TRP 25 HZ3 TRP 25 0.894 -4.505 -2.290 185 HH2 TRP 25 HH2 TRP 25 2.355 -4.251 -4.293 186 H CYS 26 HN CYS 26 1.929 -11.967 0.067 187 HA CYS 26 HA CYS 26 4.646 -11.484 -1.033 188 1HB CYS 26 HB1 CYS 26 5.800 -12.240 0.829 189 2HB CYS 26 HB2 CYS 26 4.454 -11.427 1.612 190 H ASN 27 HN ASN 27 5.683 -14.019 -0.659 191 HA ASN 27 HA ASN 27 3.798 -15.657 -2.300 192 1HB ASN 27 HB1 ASN 27 6.480 -14.977 -2.718 193 2HB ASN 27 HB2 ASN 27 6.537 -16.647 -2.155 194 1HD2 ASN 27 HD22 ASN 27 5.186 -15.837 -5.879 195 2HD2 ASN 27 HD21 ASN 27 5.814 -14.627 -4.867 196 H ALA 28 HN ALA 28 4.654 -18.178 -1.947 197 HA ALA 28 HA ALA 28 3.846 -18.759 0.782 198 1HB ALA 28 HB1 ALA 28 3.915 -20.167 -1.678 199 2HB ALA 28 HB2 ALA 28 4.904 -21.074 -0.534 200 3HB ALA 28 HB3 ALA 28 3.222 -20.708 -0.148 201 H TRP 29 HN TRP 29 6.698 -17.755 -0.382 202 HA TRP 29 HA TRP 29 8.194 -19.135 1.780 203 1HB TRP 29 HB1 TRP 29 9.165 -18.720 -1.038 204 2HB TRP 29 HB2 TRP 29 10.103 -19.374 0.279 205 HD1 TRP 29 HD1 TRP 29 6.620 -20.192 -1.286 206 HE1 TRP 29 HE1 TRP 29 6.455 -22.770 -1.427 207 HE3 TRP 29 HE3 TRP 29 11.081 -21.411 0.727 208 HZ2 TRP 29 HZ2 TRP 29 8.059 -25.070 -0.750 209 HZ3 TRP 29 HZ3 TRP 29 11.785 -23.794 0.990 210 HH2 TRP 29 HH2 TRP 29 10.270 -25.621 0.250 211 H CYS 30 HN CYS 30 6.996 -16.365 1.299 212 HA CYS 30 HA CYS 30 9.147 -14.530 0.832 213 1HB CYS 30 HB1 CYS 30 7.643 -12.893 2.075 214 2HB CYS 30 HB2 CYS 30 6.960 -13.652 0.638 215 H SER 31 HN SER 31 8.923 -16.689 3.357 216 HA SER 31 HA SER 31 9.355 -15.397 5.745 217 1HB SER 31 HB1 SER 31 9.923 -17.942 4.759 218 2HB SER 31 HB2 SER 31 11.493 -17.336 5.278 219 HG SER 31 HG SER 31 9.164 -17.737 6.782 220 H SER 32 HN SER 32 10.271 -13.348 5.544 221 HA SER 32 HA SER 32 11.925 -11.735 5.146 222 1HB SER 32 HB1 SER 32 14.010 -13.777 5.734 223 2HB SER 32 HB2 SER 32 13.869 -12.122 6.316 224 HG SER 32 HG SER 32 12.667 -14.446 7.267 225 H ARG 33 HN ARG 33 11.328 -12.070 2.875 226 HA ARG 33 HA ARG 33 13.743 -12.880 1.320 227 1HB ARG 33 HB1 ARG 33 10.866 -13.553 0.640 228 2HB ARG 33 HB2 ARG 33 12.238 -13.819 -0.435 229 1HG ARG 33 HG1 ARG 33 12.979 -14.932 2.050 230 2HG ARG 33 HG2 ARG 33 11.315 -15.446 1.772 231 1HD ARG 33 HD1 ARG 33 11.998 -16.176 -0.535 232 2HD ARG 33 HD2 ARG 33 13.669 -15.802 -0.108 233 HE ARG 33 HE ARG 33 12.075 -17.828 1.411 234 1HH1 ARG 33 HH11 ARG 33 14.634 -17.394 2.633 235 2HH1 ARG 33 HH12 ARG 33 15.703 -18.474 1.801 236 1HH2 ARG 33 HH21 ARG 33 13.569 -18.933 -0.894 237 2HH2 ARG 33 HH22 ARG 33 15.100 -19.345 -0.195 238 H GLY 34 HN GLY 34 11.544 -12.166 -0.974 239 1HA GLY 34 HA1 GLY 34 12.150 -9.240 -0.824 240 2HA GLY 34 HA2 GLY 34 12.129 -10.145 -2.339 241 H LYS 35 HN LYS 35 9.886 -9.950 0.447 242 HA LYS 35 HA LYS 35 7.498 -10.349 -0.925 243 1HB LYS 35 HB1 LYS 35 7.836 -8.315 1.294 244 2HB LYS 35 HB2 LYS 35 6.380 -9.227 0.893 245 1HG LYS 35 HG1 LYS 35 7.100 -10.678 2.489 246 2HG LYS 35 HG2 LYS 35 8.232 -11.232 1.255 247 1HD LYS 35 HD1 LYS 35 9.912 -10.587 2.614 248 2HD LYS 35 HD2 LYS 35 9.395 -8.919 2.368 249 1HE LYS 35 HE1 LYS 35 8.360 -8.807 4.405 250 2HE LYS 35 HE2 LYS 35 7.809 -10.481 4.329 251 1HZ LYS 35 HZ1 LYS 35 10.675 -9.901 4.635 252 2HZ LYS 35 HZ2 LYS 35 9.655 -9.814 5.991 253 3HZ LYS 35 HZ3 LYS 35 9.799 -11.269 5.123 254 H VAL 36 HN VAL 36 6.001 -8.982 -1.980 255 HA VAL 36 HA VAL 36 7.179 -6.449 -3.037 256 HB VAL 36 HB VAL 36 4.688 -7.343 -4.283 257 1HG1 VAL 36 HG11 VAL 36 7.251 -6.165 -4.958 258 2HG1 VAL 36 HG13 VAL 36 6.821 -7.436 -6.101 259 3HG1 VAL 36 HG12 VAL 36 5.723 -6.083 -5.834 260 1HG2 VAL 36 HG23 VAL 36 6.993 -9.266 -4.025 261 2HG2 VAL 36 HG22 VAL 36 5.263 -9.592 -3.914 262 3HG2 VAL 36 HG21 VAL 36 6.000 -9.263 -5.483 263 H LEU 37 HN LEU 37 6.566 -5.452 -0.930 264 HA LEU 37 HA LEU 37 3.647 -4.977 -0.615 265 1HB LEU 37 HB1 LEU 37 6.021 -5.126 1.171 266 2HB LEU 37 HB2 LEU 37 4.676 -4.112 1.675 267 HG LEU 37 HG LEU 37 3.215 -5.931 1.787 268 1HD1 LEU 37 HD11 LEU 37 3.744 -6.838 -0.472 269 2HD1 LEU 37 HD12 LEU 37 5.205 -7.569 0.191 270 3HD1 LEU 37 HD13 LEU 37 3.620 -8.110 0.742 271 1HD2 LEU 37 HD23 LEU 37 5.045 -6.031 3.497 272 2HD2 LEU 37 HD22 LEU 37 4.303 -7.595 3.156 273 3HD2 LEU 37 HD21 LEU 37 5.872 -7.194 2.460 274 H GLU 38 HN GLU 38 3.021 -3.022 -1.518 275 HA GLU 38 HA GLU 38 4.659 -0.622 -0.862 276 1HB GLU 38 HB1 GLU 38 4.173 0.089 -3.342 277 2HB GLU 38 HB2 GLU 38 5.545 -0.964 -2.991 278 1HG GLU 38 HG1 GLU 38 3.096 -2.496 -3.341 279 2HG GLU 38 HG2 GLU 38 3.435 -1.501 -4.759 280 H PHE 39 HN PHE 39 3.488 1.229 -0.644 281 HA PHE 39 HA PHE 39 0.547 1.013 -0.972 282 1HB PHE 39 HB1 PHE 39 2.050 2.969 0.787 283 2HB PHE 39 HB2 PHE 39 0.324 2.619 0.818 284 HD1 PHE 39 HD2 PHE 39 0.966 -0.482 0.302 285 HD2 PHE 39 HD1 PHE 39 2.188 2.418 3.233 286 HE1 PHE 39 HE2 PHE 39 1.362 -2.303 1.936 287 HE2 PHE 39 HE1 PHE 39 2.586 0.592 4.867 288 HZ PHE 39 HZ PHE 39 2.174 -1.771 4.218 289 H GLY 40 HN GLY 40 -0.369 2.489 -2.454 290 1HA GLY 40 HA1 GLY 40 1.570 4.480 -3.564 291 2HA GLY 40 HA2 GLY 40 0.400 3.627 -4.563 292 H CYS 41 HN CYS 41 -0.622 5.456 -5.329 293 HA CYS 41 HA CYS 41 -1.811 7.332 -3.381 294 1HB CYS 41 HB1 CYS 41 -0.603 8.424 -5.127 295 2HB CYS 41 HB2 CYS 41 -1.332 7.422 -6.368 296 H ALA 42 HN ALA 42 -4.024 7.983 -3.799 297 HA ALA 42 HA ALA 42 -5.798 6.410 -5.440 298 1HB ALA 42 HB1 ALA 42 -5.068 5.264 -2.935 299 2HB ALA 42 HB3 ALA 42 -6.743 5.798 -2.809 300 3HB ALA 42 HB2 ALA 42 -6.269 4.680 -4.088 301 H ALA 43 HN ALA 43 -8.146 6.732 -4.486 302 HA ALA 43 HA ALA 43 -8.393 9.603 -3.752 303 1HB ALA 43 HB3 ALA 43 -9.970 7.789 -5.538 304 2HB ALA 43 HB2 ALA 43 -10.796 9.132 -4.748 305 3HB ALA 43 HB1 ALA 43 -9.433 9.444 -5.825 306 H THR 44 HN THR 44 -9.813 6.367 -3.231 307 HA THR 44 HA THR 44 -10.575 7.233 -0.504 308 HB THR 44 HB THR 44 -12.851 6.537 -0.708 309 HG1 THR 44 HG1 THR 44 -12.242 5.686 -3.340 310 1HG2 THR 44 HG23 THR 44 -12.239 8.754 -1.754 311 2HG2 THR 44 HG22 THR 44 -12.225 7.938 -3.318 312 3HG2 THR 44 HG21 THR 44 -13.719 8.032 -2.385 313 H CYS 45 HN CYS 45 -10.843 5.424 0.940 314 HA CYS 45 HA CYS 45 -9.072 3.423 0.909 315 1HB CYS 45 HB1 CYS 45 -10.708 3.981 2.730 316 2HB CYS 45 HB2 CYS 45 -11.902 3.023 1.860 317 HA PRO 46 HA PRO 46 -10.551 0.900 -2.502 318 1HB PRO 46 HB1 PRO 46 -8.286 -0.673 -2.634 319 2HB PRO 46 HB2 PRO 46 -8.425 0.932 -3.371 320 1HG PRO 46 HG1 PRO 46 -6.856 0.095 -1.015 321 2HG PRO 46 HG2 PRO 46 -6.725 1.568 -1.978 322 1HD PRO 46 HD1 PRO 46 -8.013 1.211 0.594 323 2HD PRO 46 HD2 PRO 46 -7.813 2.711 -0.336 324 H SER 47 HN SER 47 -11.836 -0.902 -2.338 325 HA SER 47 HA SER 47 -11.369 -2.731 -0.024 326 1HB SER 47 HB1 SER 47 -13.906 -2.792 -1.602 327 2HB SER 47 HB2 SER 47 -13.656 -3.041 0.123 328 HG SER 47 HG SER 47 -13.567 -0.586 -1.280 329 H VAL 48 HN VAL 48 -9.835 -2.986 -2.448 330 HA VAL 48 HA VAL 48 -11.024 -5.412 -3.694 331 HB VAL 48 HB VAL 48 -8.908 -3.505 -4.592 332 1HG1 VAL 48 HG12 VAL 48 -9.556 -6.270 -5.589 333 2HG1 VAL 48 HG11 VAL 48 -8.860 -5.053 -6.659 334 3HG1 VAL 48 HG13 VAL 48 -7.972 -5.582 -5.229 335 1HG2 VAL 48 HG23 VAL 48 -11.720 -3.980 -5.157 336 2HG2 VAL 48 HG22 VAL 48 -10.716 -2.599 -5.595 337 3HG2 VAL 48 HG21 VAL 48 -10.744 -4.030 -6.625 338 H ASN 49 HN ASN 49 -10.036 -7.391 -3.383 339 HA ASN 49 HA ASN 49 -7.421 -7.386 -2.014 340 1HB ASN 49 HB1 ASN 49 -9.470 -7.950 -0.566 341 2HB ASN 49 HB2 ASN 49 -9.559 -9.442 -1.501 342 1HD2 ASN 49 HD22 ASN 49 -6.989 -10.973 0.351 343 2HD2 ASN 49 HD21 ASN 49 -8.297 -11.145 -0.718 344 H THR 50 HN THR 50 -7.298 -7.586 -4.681 345 HA THR 50 HA THR 50 -7.674 -10.262 -5.711 346 HB THR 50 HB THR 50 -5.572 -8.713 -7.026 347 HG1 THR 50 HG1 THR 50 -6.512 -6.892 -6.375 348 1HG2 THR 50 HG21 THR 50 -7.218 -10.583 -7.849 349 2HG2 THR 50 HG23 THR 50 -8.329 -9.235 -8.093 350 3HG2 THR 50 HG22 THR 50 -6.782 -9.270 -8.942 351 H GLY 51 HN GLY 51 -6.634 -11.565 -4.041 352 1HA GLY 51 HA1 GLY 51 -4.807 -12.669 -3.053 353 2HA GLY 51 HA2 GLY 51 -4.012 -12.407 -4.607 354 H THR 52 HN THR 52 -5.112 -9.618 -2.890 355 HA THR 52 HA THR 52 -2.406 -9.135 -1.747 356 HB THR 52 HB THR 52 -3.912 -7.345 -3.673 357 HG1 THR 52 HG1 THR 52 -1.408 -8.642 -3.612 358 1HG2 THR 52 HG22 THR 52 -2.321 -6.599 -1.404 359 2HG2 THR 52 HG21 THR 52 -1.441 -6.187 -2.876 360 3HG2 THR 52 HG23 THR 52 -3.066 -5.554 -2.613 361 H GLU 53 HN GLU 53 -2.491 -7.977 0.197 362 HA GLU 53 HA GLU 53 -5.182 -7.543 1.308 363 1HB GLU 53 HB1 GLU 53 -2.571 -6.896 2.679 364 2HB GLU 53 HB2 GLU 53 -4.115 -7.331 3.414 365 1HG GLU 53 HG1 GLU 53 -3.289 -9.418 1.606 366 2HG GLU 53 HG2 GLU 53 -1.977 -9.065 2.731 367 H ILE 54 HN ILE 54 -6.077 -5.658 0.443 368 HA ILE 54 HA ILE 54 -4.345 -3.257 0.295 369 HB ILE 54 HB ILE 54 -6.481 -4.211 -1.288 370 1HG1 ILE 54 HG11 ILE 54 -5.136 -1.505 -1.305 371 2HG1 ILE 54 HG12 ILE 54 -4.452 -2.974 -2.000 372 1HG2 ILE 54 HG23 ILE 54 -7.887 -2.909 0.483 373 2HG2 ILE 54 HG22 ILE 54 -7.250 -1.484 -0.334 374 3HG2 ILE 54 HG21 ILE 54 -8.202 -2.651 -1.228 375 1HD1 ILE 54 HD12 ILE 54 -7.167 -2.590 -2.929 376 2HD1 ILE 54 HD13 ILE 54 -6.197 -1.156 -3.263 377 3HD1 ILE 54 HD11 ILE 54 -5.684 -2.730 -3.872 378 H LYS 55 HN LYS 55 -5.694 -1.184 0.919 379 HA LYS 55 HA LYS 55 -7.570 -1.211 3.030 380 1HB LYS 55 HB1 LYS 55 -4.726 -1.591 3.817 381 2HB LYS 55 HB2 LYS 55 -5.653 -0.419 4.757 382 1HG LYS 55 HG1 LYS 55 -7.400 -2.553 4.468 383 2HG LYS 55 HG2 LYS 55 -5.836 -3.334 4.706 384 1HD LYS 55 HD1 LYS 55 -6.220 -2.980 6.923 385 2HD LYS 55 HD2 LYS 55 -5.771 -1.310 6.579 386 1HE LYS 55 HE1 LYS 55 -8.429 -1.411 5.804 387 2HE LYS 55 HE2 LYS 55 -8.396 -2.444 7.234 388 1HZ LYS 55 HZ3 LYS 55 -7.089 0.205 7.218 389 2HZ LYS 55 HZ1 LYS 55 -8.739 0.041 7.576 390 3HZ LYS 55 HZ2 LYS 55 -7.579 -0.728 8.550 391 H CYS 56 HN CYS 56 -7.178 0.979 4.404 392 HA CYS 56 HA CYS 56 -6.586 3.065 2.352 393 1HB CYS 56 HB1 CYS 56 -7.819 4.220 4.658 394 2HB CYS 56 HB2 CYS 56 -8.488 4.066 3.039 395 H CYS 57 HN CYS 57 -5.199 4.810 2.929 396 HA CYS 57 HA CYS 57 -4.020 4.955 5.590 397 1HB CYS 57 HB1 CYS 57 -2.844 2.987 4.698 398 2HB CYS 57 HB2 CYS 57 -2.356 3.911 3.280 399 H SER 58 HN SER 58 -2.990 6.945 5.865 400 HA SER 58 HA SER 58 -2.584 8.545 3.396 401 1HB SER 58 HB1 SER 58 -3.878 10.279 4.122 402 2HB SER 58 HB2 SER 58 -4.652 9.029 5.091 403 HG SER 58 HG SER 58 -2.638 10.844 5.862 404 H ALA 59 HN ALA 59 -1.310 7.385 6.256 405 HA ALA 59 HA ALA 59 1.206 8.764 5.805 406 1HB ALA 59 HB3 ALA 59 -0.409 9.476 8.271 407 2HB ALA 59 HB2 ALA 59 1.277 9.922 8.005 408 3HB ALA 59 HB1 ALA 59 0.016 10.571 6.955 409 H ASP 60 HN ASP 60 0.765 8.206 9.115 410 HA ASP 60 HA ASP 60 2.116 5.580 8.871 411 1HB ASP 60 HB1 ASP 60 3.131 7.312 10.366 412 2HB ASP 60 HB2 ASP 60 1.650 7.311 11.326 413 H LYS 61 HN LYS 61 -0.662 5.950 8.246 414 HA LYS 61 HA LYS 61 -1.998 4.521 10.473 415 1HB LYS 61 HB1 LYS 61 -3.238 6.485 9.906 416 2HB LYS 61 HB2 LYS 61 -3.070 6.167 8.178 417 1HG LYS 61 HG1 LYS 61 -4.619 4.396 8.234 418 2HG LYS 61 HG2 LYS 61 -4.446 4.176 9.975 419 1HD LYS 61 HD1 LYS 61 -5.666 6.187 10.435 420 2HD LYS 61 HD2 LYS 61 -5.594 6.694 8.747 421 1HE LYS 61 HE1 LYS 61 -7.317 5.320 8.132 422 2HE LYS 61 HE2 LYS 61 -6.820 4.039 9.239 423 1HZ LYS 61 HZ3 LYS 61 -7.556 5.915 10.965 424 2HZ LYS 61 HZ1 LYS 61 -8.603 6.289 9.683 425 3HZ LYS 61 HZ2 LYS 61 -8.621 4.734 10.367 426 H CYS 62 HN CYS 62 -0.403 3.940 7.657 427 HA CYS 62 HA CYS 62 -1.981 2.201 6.132 428 1HB CYS 62 HB1 CYS 62 0.959 2.097 6.842 429 2HB CYS 62 HB2 CYS 62 0.225 0.988 5.686 430 H ASN 63 HN ASN 63 -0.599 1.727 9.305 431 HA ASN 63 HA ASN 63 -1.375 -1.137 9.270 432 1HB ASN 63 HB1 ASN 63 -0.197 -1.158 11.514 433 2HB ASN 63 HB2 ASN 63 0.837 -0.761 10.139 434 1HD2 ASN 63 HD22 ASN 63 1.836 2.021 12.126 435 2HD2 ASN 63 HD21 ASN 63 2.299 0.505 11.518 436 H THR 64 HN THR 64 -2.383 1.947 10.489 437 HA THR 64 HA THR 64 -4.217 2.567 11.804 438 HB THR 64 HB THR 64 -5.776 0.232 11.923 439 HG1 THR 64 HG1 THR 64 -5.227 -0.870 10.239 440 1HG2 THR 64 HG22 THR 64 -5.670 2.811 10.449 441 2HG2 THR 64 HG21 THR 64 -6.791 1.588 9.849 442 3HG2 THR 64 HG23 THR 64 -6.926 2.170 11.509 443 H TYR 65 HN TYR 65 -2.826 2.612 13.701 444 HA TYR 65 HA TYR 65 -2.008 1.835 15.783 445 1HB TYR 65 HB1 TYR 65 -4.034 2.757 16.513 446 2HB TYR 65 HB2 TYR 65 -4.991 1.525 15.700 447 HD1 TYR 65 HD2 TYR 65 -2.043 1.247 18.000 448 HD2 TYR 65 HD1 TYR 65 -6.201 0.370 17.355 449 HE1 TYR 65 HE2 TYR 65 -2.087 -0.083 20.094 450 HE2 TYR 65 HE1 TYR 65 -6.244 -0.961 19.449 451 HH TYR 65 HH TYR 65 -3.324 -1.295 21.475 452 HA PRO 66 HA PRO 66 -1.840 -2.629 14.659 453 1HB PRO 66 HB1 PRO 66 0.911 -2.731 14.607 454 2HB PRO 66 HB2 PRO 66 -0.087 -2.334 13.198 455 1HG PRO 66 HG1 PRO 66 1.561 -0.536 14.932 456 2HG PRO 66 HG2 PRO 66 1.112 -0.345 13.229 457 1HD PRO 66 HD1 PRO 66 -0.087 0.969 15.440 458 2HD PRO 66 HD2 PRO 66 -0.735 0.904 13.788 No H/Q in entry = 458 Start of MODEL 7 1 1H ARG 1 HT1 ARG 1 2.551 15.771 -0.805 2 2H ARG 1 HT2 ARG 1 2.808 15.800 -2.484 3 3H ARG 1 HT3 ARG 1 1.505 14.922 -1.835 4 HA ARG 1 HA ARG 1 3.245 13.411 -2.460 5 1HB ARG 1 HB1 ARG 1 4.886 15.520 -1.550 6 2HB ARG 1 HB2 ARG 1 5.190 14.161 -0.466 7 1HG ARG 1 HG1 ARG 1 6.159 12.914 -2.110 8 2HG ARG 1 HG2 ARG 1 4.997 13.445 -3.327 9 1HD ARG 1 HD1 ARG 1 6.235 15.741 -3.139 10 2HD ARG 1 HD2 ARG 1 7.533 14.793 -2.413 11 HE ARG 1 HE ARG 1 6.487 14.344 -5.179 12 1HH1 ARG 1 HH21 ARG 1 8.421 12.884 -2.899 13 2HH1 ARG 1 HH22 ARG 1 9.854 12.832 -3.870 14 1HH2 ARG 1 HH11 ARG 1 8.546 14.838 -6.378 15 2HH2 ARG 1 HH12 ARG 1 9.925 13.939 -5.840 16 H GLU 2 HN GLU 2 2.033 11.843 -1.465 17 HA GLU 2 HA GLU 2 2.250 11.646 1.510 18 1HB GLU 2 HB1 GLU 2 -0.079 12.169 0.468 19 2HB GLU 2 HB2 GLU 2 -0.044 10.492 -0.078 20 1HG GLU 2 HG1 GLU 2 -1.156 10.496 2.051 21 2HG GLU 2 HG2 GLU 2 0.460 9.847 2.333 22 H CYS 3 HN CYS 3 2.282 9.383 2.289 23 HA CYS 3 HA CYS 3 2.740 7.068 2.080 24 1HB CYS 3 HB1 CYS 3 3.248 7.447 -0.869 25 2HB CYS 3 HB2 CYS 3 2.769 5.976 -0.020 26 H TYR 4 HN TYR 4 4.610 9.149 -0.067 27 HA TYR 4 HA TYR 4 6.914 9.240 -0.471 28 1HB TYR 4 HB1 TYR 4 8.103 9.318 1.953 29 2HB TYR 4 HB2 TYR 4 7.215 10.683 1.277 30 HD1 TYR 4 HD1 TYR 4 4.615 10.712 1.754 31 HD2 TYR 4 HD2 TYR 4 7.455 8.437 4.041 32 HE1 TYR 4 HE1 TYR 4 3.005 10.593 3.637 33 HE2 TYR 4 HE2 TYR 4 5.843 8.316 5.922 34 HH TYR 4 HH TYR 4 3.754 9.933 6.659 35 H LEU 5 HN LEU 5 7.801 7.540 2.440 36 HA LEU 5 HA LEU 5 8.252 5.210 0.790 37 1HB LEU 5 HB1 LEU 5 10.494 6.191 2.426 38 2HB LEU 5 HB2 LEU 5 10.499 5.029 1.112 39 HG LEU 5 HG LEU 5 9.590 7.814 0.548 40 1HD1 LEU 5 HD11 LEU 5 12.474 6.930 0.810 41 2HD1 LEU 5 HD13 LEU 5 11.958 8.426 0.030 42 3HD1 LEU 5 HD12 LEU 5 11.670 8.185 1.754 43 1HD2 LEU 5 HD22 LEU 5 10.315 5.416 -0.897 44 2HD2 LEU 5 HD23 LEU 5 9.536 6.878 -1.500 45 3HD2 LEU 5 HD21 LEU 5 11.296 6.780 -1.435 46 H ASN 6 HN ASN 6 6.357 5.039 2.761 47 HA ASN 6 HA ASN 6 7.182 4.266 5.340 48 1HB ASN 6 HB1 ASN 6 5.259 2.426 4.913 49 2HB ASN 6 HB2 ASN 6 4.863 4.125 5.148 50 1HD2 ASN 6 HD22 ASN 6 4.638 2.528 1.359 51 2HD2 ASN 6 HD21 ASN 6 5.639 1.786 2.512 52 HA PRO 7 HA PRO 7 9.562 0.638 4.665 53 1HB PRO 7 HB1 PRO 7 8.539 -1.203 6.454 54 2HB PRO 7 HB2 PRO 7 9.602 0.141 6.901 55 1HG PRO 7 HG1 PRO 7 6.634 -0.140 7.243 56 2HG PRO 7 HG2 PRO 7 7.798 0.738 8.249 57 1HD PRO 7 HD1 PRO 7 6.074 1.911 6.376 58 2HD PRO 7 HD2 PRO 7 7.544 2.675 7.012 59 H HIS 8 HN HIS 8 8.553 0.412 2.474 60 HA HIS 8 HA HIS 8 7.961 -2.133 1.665 61 1HB HIS 8 HB1 HIS 8 5.695 -1.014 3.117 62 2HB HIS 8 HB2 HIS 8 5.252 -1.493 1.478 63 HD1 HIS 8 HD1 HIS 8 3.887 -3.447 2.800 64 HD2 HIS 8 HD2 HIS 8 8.045 -3.719 2.890 65 HE1 HIS 8 HE1 HIS 8 4.434 -5.821 3.494 66 H ASP 9 HN ASP 9 9.170 -0.729 0.032 67 HA ASP 9 HA ASP 9 9.238 0.295 -2.080 68 1HB ASP 9 HB1 ASP 9 6.644 -1.110 -1.948 69 2HB ASP 9 HB2 ASP 9 6.746 0.158 -3.172 70 H THR 10 HN THR 10 5.839 1.115 -1.553 71 HA THR 10 HA THR 10 4.830 3.156 -0.976 72 HB THR 10 HB THR 10 7.288 4.815 -1.018 73 HG1 THR 10 HG1 THR 10 6.929 3.066 1.160 74 1HG2 THR 10 HG21 THR 10 5.059 4.329 0.961 75 2HG2 THR 10 HG23 THR 10 6.331 5.527 1.136 76 3HG2 THR 10 HG22 THR 10 5.184 5.664 -0.184 77 H GLN 11 HN GLN 11 4.817 5.495 -1.978 78 HA GLN 11 HA GLN 11 5.997 6.007 -4.496 79 1HB GLN 11 HB1 GLN 11 4.758 4.220 -5.464 80 2HB GLN 11 HB2 GLN 11 3.314 4.616 -4.530 81 1HG GLN 11 HG1 GLN 11 2.625 6.109 -6.082 82 2HG GLN 11 HG2 GLN 11 4.214 6.868 -6.154 83 1HE2 GLN 11 HE22 GLN 11 3.141 4.741 -9.278 84 2HE2 GLN 11 HE21 GLN 11 2.104 5.557 -8.210 85 H THR 12 HN THR 12 6.092 8.110 -3.628 86 HA THR 12 HA THR 12 4.273 9.577 -2.236 87 HB THR 12 HB THR 12 5.296 11.535 -3.039 88 HG1 THR 12 HG1 THR 12 6.570 11.171 -5.135 89 1HG2 THR 12 HG23 THR 12 6.821 9.322 -2.372 90 2HG2 THR 12 HG22 THR 12 7.592 9.917 -3.842 91 3HG2 THR 12 HG21 THR 12 7.404 10.985 -2.452 92 H CYS 13 HN CYS 13 2.827 11.350 -2.979 93 HA CYS 13 HA CYS 13 1.422 10.874 -5.536 94 1HB CYS 13 HB1 CYS 13 0.200 9.441 -4.024 95 2HB CYS 13 HB2 CYS 13 0.166 10.694 -2.787 96 HA PRO 14 HA PRO 14 1.853 15.295 -4.200 97 1HB PRO 14 HB1 PRO 14 3.175 16.101 -6.482 98 2HB PRO 14 HB2 PRO 14 3.990 15.523 -5.019 99 1HG PRO 14 HG1 PRO 14 3.549 14.128 -7.631 100 2HG PRO 14 HG2 PRO 14 4.851 13.907 -6.449 101 1HD PRO 14 HD1 PRO 14 2.595 12.224 -6.783 102 2HD PRO 14 HD2 PRO 14 3.703 12.214 -5.394 103 H SER 15 HN SER 15 1.507 14.439 -7.676 104 HA SER 15 HA SER 15 -0.840 16.273 -7.789 105 1HB SER 15 HB1 SER 15 0.880 15.067 -9.977 106 2HB SER 15 HB2 SER 15 -0.529 16.080 -10.273 107 HG SER 15 HG SER 15 0.731 17.710 -10.004 108 H GLY 16 HN GLY 16 -2.871 15.459 -8.183 109 1HA GLY 16 HA1 GLY 16 -4.118 13.633 -9.480 110 2HA GLY 16 HA2 GLY 16 -3.058 12.507 -8.632 111 H GLN 17 HN GLN 17 -4.104 11.547 -6.960 112 HA GLN 17 HA GLN 17 -6.419 12.894 -5.719 113 1HB GLN 17 HB1 GLN 17 -5.224 10.158 -5.176 114 2HB GLN 17 HB2 GLN 17 -6.774 10.752 -4.577 115 1HG GLN 17 HG1 GLN 17 -7.392 9.516 -6.478 116 2HG GLN 17 HG2 GLN 17 -7.309 11.163 -7.101 117 1HE2 GLN 17 HE22 GLN 17 -4.247 8.576 -8.067 118 2HE2 GLN 17 HE21 GLN 17 -5.068 8.366 -6.597 119 H GLU 18 HN GLU 18 -6.188 11.802 -3.106 120 HA GLU 18 HA GLU 18 -3.660 12.968 -2.055 121 1HB GLU 18 HB1 GLU 18 -6.402 13.684 -0.978 122 2HB GLU 18 HB2 GLU 18 -4.852 14.315 -0.422 123 1HG GLU 18 HG1 GLU 18 -4.485 15.212 -2.758 124 2HG GLU 18 HG2 GLU 18 -6.148 14.752 -3.128 125 H ILE 19 HN ILE 19 -5.524 10.325 -2.193 126 HA ILE 19 HA ILE 19 -5.251 9.632 0.695 127 HB ILE 19 HB ILE 19 -6.600 7.991 -1.437 128 1HG1 ILE 19 HG11 ILE 19 -7.346 10.592 -0.753 129 2HG1 ILE 19 HG12 ILE 19 -8.381 9.390 -1.508 130 1HG2 ILE 19 HG21 ILE 19 -6.723 8.120 1.582 131 2HG2 ILE 19 HG22 ILE 19 -7.918 7.250 0.618 132 3HG2 ILE 19 HG23 ILE 19 -6.223 6.763 0.572 133 1HD1 ILE 19 HD11 ILE 19 -8.068 9.651 1.494 134 2HD1 ILE 19 HD12 ILE 19 -9.337 10.466 0.580 135 3HD1 ILE 19 HD13 ILE 19 -9.273 8.704 0.622 136 H CYS 20 HN CYS 20 -4.394 7.523 1.190 137 HA CYS 20 HA CYS 20 -2.441 6.532 -0.850 138 1HB CYS 20 HB1 CYS 20 -1.486 7.879 1.155 139 2HB CYS 20 HB2 CYS 20 -1.905 6.466 2.121 140 H TYR 21 HN TYR 21 -3.020 4.464 -1.386 141 HA TYR 21 HA TYR 21 -4.493 2.900 0.675 142 1HB TYR 21 HB1 TYR 21 -5.355 1.554 -1.057 143 2HB TYR 21 HB2 TYR 21 -5.308 3.152 -1.793 144 HD1 TYR 21 HD2 TYR 21 -3.208 0.061 -1.391 145 HD2 TYR 21 HD1 TYR 21 -4.210 3.450 -3.824 146 HE1 TYR 21 HE2 TYR 21 -1.730 -0.793 -3.187 147 HE2 TYR 21 HE1 TYR 21 -2.732 2.597 -5.625 148 HH TYR 21 HH TYR 21 -0.736 -0.296 -5.140 149 H VAL 22 HN VAL 22 -3.753 0.697 1.131 150 HA VAL 22 HA VAL 22 -0.853 0.385 0.487 151 HB VAL 22 HB VAL 22 -0.432 -0.453 2.686 152 1HG1 VAL 22 HG13 VAL 22 -0.734 2.049 2.435 153 2HG1 VAL 22 HG12 VAL 22 -2.378 1.846 3.040 154 3HG1 VAL 22 HG11 VAL 22 -1.004 1.447 4.070 155 1HG2 VAL 22 HG21 VAL 22 -3.438 -0.547 2.877 156 2HG2 VAL 22 HG23 VAL 22 -2.281 -1.854 3.130 157 3HG2 VAL 22 HG22 VAL 22 -2.423 -0.560 4.319 158 H LYS 23 HN LYS 23 -0.759 -1.235 -0.985 159 HA LYS 23 HA LYS 23 -2.628 -3.538 -0.699 160 1HB LYS 23 HB1 LYS 23 -0.942 -2.457 -2.950 161 2HB LYS 23 HB2 LYS 23 -1.478 -4.136 -2.981 162 1HG LYS 23 HG1 LYS 23 -3.771 -3.516 -2.990 163 2HG LYS 23 HG2 LYS 23 -3.407 -1.860 -2.502 164 1HD LYS 23 HD1 LYS 23 -3.752 -1.570 -4.783 165 2HD LYS 23 HD2 LYS 23 -2.010 -1.850 -4.753 166 1HE LYS 23 HE1 LYS 23 -3.476 -4.358 -4.843 167 2HE LYS 23 HE2 LYS 23 -3.919 -3.318 -6.195 168 1HZ LYS 23 HZ3 LYS 23 -1.302 -2.985 -6.212 169 2HZ LYS 23 HZ1 LYS 23 -1.358 -4.550 -5.559 170 3HZ LYS 23 HZ2 LYS 23 -2.069 -4.236 -7.069 171 H SER 24 HN SER 24 -1.844 -5.533 -0.057 172 HA SER 24 HA SER 24 1.120 -5.813 0.035 173 1HB SER 24 HB1 SER 24 -0.884 -6.199 2.238 174 2HB SER 24 HB2 SER 24 0.593 -7.158 2.229 175 HG SER 24 HG SER 24 0.356 -4.344 2.273 176 H TRP 25 HN TRP 25 1.496 -7.415 -1.436 177 HA TRP 25 HA TRP 25 0.005 -9.973 -1.032 178 1HB TRP 25 HB1 TRP 25 -0.228 -10.255 -3.455 179 2HB TRP 25 HB2 TRP 25 -1.005 -8.755 -2.947 180 HD1 TRP 25 HD1 TRP 25 1.660 -10.048 -5.217 181 HE1 TRP 25 HE1 TRP 25 2.850 -8.049 -6.347 182 HE3 TRP 25 HE3 TRP 25 -0.170 -6.303 -2.368 183 HZ2 TRP 25 HZ2 TRP 25 2.994 -5.178 -6.026 184 HZ3 TRP 25 HZ3 TRP 25 0.486 -3.992 -2.741 185 HH2 TRP 25 HH2 TRP 25 2.066 -3.383 -4.570 186 H CYS 26 HN CYS 26 1.439 -11.609 -0.793 187 HA CYS 26 HA CYS 26 4.249 -11.172 -1.666 188 1HB CYS 26 HB1 CYS 26 2.985 -12.472 0.582 189 2HB CYS 26 HB2 CYS 26 4.012 -13.621 -0.276 190 H ASN 27 HN ASN 27 5.092 -13.772 -1.956 191 HA ASN 27 HA ASN 27 3.519 -14.683 -4.334 192 1HB ASN 27 HB1 ASN 27 6.342 -14.164 -3.925 193 2HB ASN 27 HB2 ASN 27 6.082 -15.835 -4.428 194 1HD2 ASN 27 HD22 ASN 27 4.275 -14.598 -7.460 195 2HD2 ASN 27 HD21 ASN 27 3.870 -15.584 -6.138 196 H ALA 28 HN ALA 28 3.744 -15.403 -1.243 197 HA ALA 28 HA ALA 28 3.100 -17.353 -0.108 198 1HB ALA 28 HB1 ALA 28 2.035 -18.039 -2.313 199 2HB ALA 28 HB3 ALA 28 3.529 -18.902 -2.660 200 3HB ALA 28 HB2 ALA 28 2.551 -19.362 -1.270 201 H TRP 29 HN TRP 29 5.969 -16.728 -1.610 202 HA TRP 29 HA TRP 29 7.374 -18.609 0.199 203 1HB TRP 29 HB1 TRP 29 7.798 -18.376 -2.764 204 2HB TRP 29 HB2 TRP 29 8.983 -19.067 -1.687 205 HD1 TRP 29 HD1 TRP 29 5.172 -19.557 -2.333 206 HE1 TRP 29 HE1 TRP 29 4.700 -22.094 -2.170 207 HE3 TRP 29 HE3 TRP 29 9.808 -21.168 -1.213 208 HZ2 TRP 29 HZ2 TRP 29 6.161 -24.520 -1.618 209 HZ3 TRP 29 HZ3 TRP 29 10.297 -23.594 -0.861 210 HH2 TRP 29 HH2 TRP 29 8.470 -25.267 -1.064 211 H CYS 30 HN CYS 30 6.885 -15.597 -0.055 212 HA CYS 30 HA CYS 30 9.474 -14.441 -0.707 213 1HB CYS 30 HB1 CYS 30 8.481 -12.376 0.303 214 2HB CYS 30 HB2 CYS 30 7.530 -13.074 -1.006 215 H SER 31 HN SER 31 9.695 -16.489 1.352 216 HA SER 31 HA SER 31 9.776 -15.606 3.992 217 1HB SER 31 HB1 SER 31 10.355 -17.889 3.472 218 2HB SER 31 HB2 SER 31 11.734 -17.373 2.505 219 HG SER 31 HG SER 31 11.435 -16.852 5.272 220 H SER 32 HN SER 32 10.315 -13.382 4.071 221 HA SER 32 HA SER 32 11.696 -11.475 3.921 222 1HB SER 32 HB1 SER 32 13.976 -13.136 4.841 223 2HB SER 32 HB2 SER 32 13.373 -11.606 5.468 224 HG SER 32 HG SER 32 12.543 -14.202 6.025 225 H ARG 33 HN ARG 33 11.712 -11.497 1.614 226 HA ARG 33 HA ARG 33 14.459 -11.850 0.550 227 1HB ARG 33 HB1 ARG 33 13.308 -13.909 -0.097 228 2HB ARG 33 HB2 ARG 33 11.971 -12.977 -0.770 229 1HG ARG 33 HG1 ARG 33 13.808 -11.842 -2.229 230 2HG ARG 33 HG2 ARG 33 14.799 -13.232 -1.784 231 1HD ARG 33 HD1 ARG 33 12.030 -13.798 -2.725 232 2HD ARG 33 HD2 ARG 33 13.183 -13.244 -3.939 233 HE ARG 33 HE ARG 33 14.112 -15.447 -2.216 234 1HH1 ARG 33 HH21 ARG 33 12.277 -14.606 -4.991 235 2HH1 ARG 33 HH22 ARG 33 12.834 -15.945 -5.938 236 1HH2 ARG 33 HH11 ARG 33 15.022 -17.095 -3.508 237 2HH2 ARG 33 HH12 ARG 33 14.388 -17.355 -5.098 238 H GLY 34 HN GLY 34 11.494 -11.257 -1.284 239 1HA GLY 34 HA1 GLY 34 12.021 -8.353 -1.342 240 2HA GLY 34 HA2 GLY 34 12.203 -9.203 -2.879 241 H LYS 35 HN LYS 35 9.852 -9.386 -0.183 242 HA LYS 35 HA LYS 35 7.603 -10.150 -1.620 243 1HB LYS 35 HB1 LYS 35 7.461 -8.002 0.502 244 2HB LYS 35 HB2 LYS 35 6.272 -9.251 0.139 245 1HG LYS 35 HG1 LYS 35 7.253 -10.586 1.663 246 2HG LYS 35 HG2 LYS 35 8.730 -10.571 0.699 247 1HD LYS 35 HD1 LYS 35 9.630 -8.747 1.902 248 2HD LYS 35 HD2 LYS 35 8.056 -8.285 2.549 249 1HE LYS 35 HE1 LYS 35 9.665 -10.751 3.275 250 2HE LYS 35 HE2 LYS 35 9.332 -9.365 4.314 251 1HZ LYS 35 HZ2 LYS 35 6.875 -9.980 3.735 252 2HZ LYS 35 HZ3 LYS 35 7.541 -11.518 3.452 253 3HZ LYS 35 HZ1 LYS 35 7.702 -10.792 4.977 254 H VAL 36 HN VAL 36 5.735 -8.808 -2.374 255 HA VAL 36 HA VAL 36 6.697 -6.274 -3.649 256 HB VAL 36 HB VAL 36 4.256 -7.501 -4.756 257 1HG1 VAL 36 HG11 VAL 36 5.557 -5.577 -5.716 258 2HG1 VAL 36 HG13 VAL 36 6.877 -6.698 -6.051 259 3HG1 VAL 36 HG12 VAL 36 5.318 -6.905 -6.851 260 1HG2 VAL 36 HG21 VAL 36 6.924 -8.924 -5.030 261 2HG2 VAL 36 HG23 VAL 36 5.494 -9.564 -4.219 262 3HG2 VAL 36 HG22 VAL 36 5.473 -9.292 -5.962 263 H LEU 37 HN LEU 37 5.932 -5.876 -1.159 264 HA LEU 37 HA LEU 37 3.027 -5.262 -1.176 265 1HB LEU 37 HB1 LEU 37 5.093 -5.684 0.982 266 2HB LEU 37 HB2 LEU 37 3.544 -4.936 1.330 267 HG LEU 37 HG LEU 37 2.343 -6.898 0.765 268 1HD1 LEU 37 HD13 LEU 37 4.887 -7.793 -0.609 269 2HD1 LEU 37 HD12 LEU 37 3.516 -8.865 -0.326 270 3HD1 LEU 37 HD11 LEU 37 3.331 -7.450 -1.360 271 1HD2 LEU 37 HD23 LEU 37 4.805 -7.274 2.347 272 2HD2 LEU 37 HD22 LEU 37 3.125 -7.591 2.781 273 3HD2 LEU 37 HD21 LEU 37 4.019 -8.758 1.806 274 H GLU 38 HN GLU 38 3.026 -3.246 -2.264 275 HA GLU 38 HA GLU 38 4.538 -1.076 -0.868 276 1HB GLU 38 HB1 GLU 38 4.883 0.038 -2.966 277 2HB GLU 38 HB2 GLU 38 5.372 -1.642 -3.195 278 1HG GLU 38 HG1 GLU 38 2.725 -1.793 -3.830 279 2HG GLU 38 HG2 GLU 38 3.097 -0.156 -4.370 280 H PHE 39 HN PHE 39 3.502 1.097 -1.173 281 HA PHE 39 HA PHE 39 0.549 0.874 -1.369 282 1HB PHE 39 HB1 PHE 39 1.937 2.800 0.488 283 2HB PHE 39 HB2 PHE 39 0.268 2.231 0.547 284 HD1 PHE 39 HD2 PHE 39 0.615 -0.685 0.169 285 HD2 PHE 39 HD1 PHE 39 2.891 2.089 2.536 286 HE1 PHE 39 HE2 PHE 39 1.307 -2.535 1.669 287 HE2 PHE 39 HE1 PHE 39 3.584 0.236 4.035 288 HZ PHE 39 HZ PHE 39 2.792 -2.078 3.601 289 H GLY 40 HN GLY 40 -0.494 2.715 -2.348 290 1HA GLY 40 HA1 GLY 40 1.378 4.755 -3.470 291 2HA GLY 40 HA2 GLY 40 0.231 3.935 -4.524 292 H CYS 41 HN CYS 41 -0.908 5.840 -5.056 293 HA CYS 41 HA CYS 41 -2.159 7.365 -2.849 294 1HB CYS 41 HB1 CYS 41 -0.959 8.364 -4.943 295 2HB CYS 41 HB2 CYS 41 -2.447 7.981 -5.777 296 H ALA 42 HN ALA 42 -4.462 8.088 -3.579 297 HA ALA 42 HA ALA 42 -6.124 6.445 -5.179 298 1HB ALA 42 HB3 ALA 42 -5.276 5.092 -2.874 299 2HB ALA 42 HB2 ALA 42 -6.921 5.616 -2.515 300 3HB ALA 42 HB1 ALA 42 -6.601 4.627 -3.939 301 H ALA 43 HN ALA 43 -8.494 6.506 -4.125 302 HA ALA 43 HA ALA 43 -8.910 9.328 -3.285 303 1HB ALA 43 HB3 ALA 43 -10.775 7.441 -4.748 304 2HB ALA 43 HB2 ALA 43 -11.149 9.108 -4.310 305 3HB ALA 43 HB1 ALA 43 -9.872 8.768 -5.478 306 H THR 44 HN THR 44 -10.088 5.990 -2.772 307 HA THR 44 HA THR 44 -10.732 6.735 0.014 308 HB THR 44 HB THR 44 -13.004 6.217 -0.069 309 HG1 THR 44 HG1 THR 44 -13.361 4.394 -1.039 310 1HG2 THR 44 HG23 THR 44 -12.482 8.255 -1.422 311 2HG2 THR 44 HG22 THR 44 -12.479 7.246 -2.868 312 3HG2 THR 44 HG21 THR 44 -13.962 7.443 -1.935 313 H CYS 45 HN CYS 45 -10.412 5.031 1.397 314 HA CYS 45 HA CYS 45 -8.830 2.923 0.958 315 1HB CYS 45 HB1 CYS 45 -9.870 3.659 3.130 316 2HB CYS 45 HB2 CYS 45 -11.290 2.721 2.681 317 HA PRO 46 HA PRO 46 -11.449 0.548 -1.869 318 1HB PRO 46 HB1 PRO 46 -9.397 -0.996 -2.862 319 2HB PRO 46 HB2 PRO 46 -9.783 0.629 -3.452 320 1HG PRO 46 HG1 PRO 46 -7.511 -0.276 -1.753 321 2HG PRO 46 HG2 PRO 46 -7.631 1.151 -2.791 322 1HD PRO 46 HD1 PRO 46 -7.909 1.050 0.051 323 2HD PRO 46 HD2 PRO 46 -8.205 2.450 -1.002 324 H SER 47 HN SER 47 -10.949 -2.137 -2.364 325 HA SER 47 HA SER 47 -11.029 -3.341 0.376 326 1HB SER 47 HB1 SER 47 -12.324 -4.872 -1.770 327 2HB SER 47 HB2 SER 47 -12.926 -4.461 -0.167 328 HG SER 47 HG SER 47 -13.002 -2.918 -2.519 329 H VAL 48 HN VAL 48 -11.161 -6.036 -0.842 330 HA VAL 48 HA VAL 48 -8.287 -6.262 -1.579 331 HB VAL 48 HB VAL 48 -10.182 -8.238 -0.374 332 1HG1 VAL 48 HG11 VAL 48 -8.050 -8.821 -2.046 333 2HG1 VAL 48 HG13 VAL 48 -7.354 -8.955 -0.432 334 3HG1 VAL 48 HG12 VAL 48 -8.760 -9.925 -0.869 335 1HG2 VAL 48 HG21 VAL 48 -8.312 -6.296 0.677 336 2HG2 VAL 48 HG23 VAL 48 -9.466 -7.306 1.550 337 3HG2 VAL 48 HG22 VAL 48 -7.860 -7.928 1.172 338 H ASN 49 HN ASN 49 -8.490 -5.959 -3.848 339 HA ASN 49 HA ASN 49 -10.444 -7.121 -5.500 340 1HB ASN 49 HB1 ASN 49 -8.932 -5.399 -6.331 341 2HB ASN 49 HB2 ASN 49 -7.550 -6.475 -6.122 342 1HD2 ASN 49 HD22 ASN 49 -10.211 -7.798 -8.958 343 2HD2 ASN 49 HD21 ASN 49 -10.775 -7.366 -7.416 344 H THR 50 HN THR 50 -7.362 -8.347 -6.459 345 HA THR 50 HA THR 50 -8.369 -11.065 -6.481 346 HB THR 50 HB THR 50 -6.707 -10.106 -8.123 347 HG1 THR 50 HG1 THR 50 -6.986 -12.442 -7.433 348 1HG2 THR 50 HG23 THR 50 -5.327 -9.478 -5.729 349 2HG2 THR 50 HG22 THR 50 -4.350 -10.674 -6.581 350 3HG2 THR 50 HG21 THR 50 -4.806 -9.173 -7.387 351 H GLY 51 HN GLY 51 -5.461 -11.916 -5.549 352 1HA GLY 51 HA1 GLY 51 -6.283 -12.333 -2.752 353 2HA GLY 51 HA2 GLY 51 -4.886 -13.069 -3.543 354 H THR 52 HN THR 52 -5.729 -9.627 -3.486 355 HA THR 52 HA THR 52 -3.135 -9.099 -2.116 356 HB THR 52 HB THR 52 -4.806 -7.511 -4.077 357 HG1 THR 52 HG1 THR 52 -2.352 -7.402 -4.731 358 1HG2 THR 52 HG21 THR 52 -2.894 -6.554 -1.999 359 2HG2 THR 52 HG23 THR 52 -2.730 -5.857 -3.611 360 3HG2 THR 52 HG22 THR 52 -4.258 -5.720 -2.743 361 H GLU 53 HN GLU 53 -3.270 -8.309 -0.053 362 HA GLU 53 HA GLU 53 -5.924 -7.597 0.998 363 1HB GLU 53 HB1 GLU 53 -4.896 -7.655 3.173 364 2HB GLU 53 HB2 GLU 53 -4.267 -9.033 2.271 365 1HG GLU 53 HG1 GLU 53 -2.314 -7.501 1.610 366 2HG GLU 53 HG2 GLU 53 -2.895 -6.403 2.864 367 H ILE 54 HN ILE 54 -6.598 -5.524 0.687 368 HA ILE 54 HA ILE 54 -4.534 -3.386 0.624 369 HB ILE 54 HB ILE 54 -6.879 -3.890 -0.922 370 1HG1 ILE 54 HG11 ILE 54 -5.526 -1.271 -1.160 371 2HG1 ILE 54 HG12 ILE 54 -4.465 -2.678 -1.215 372 1HG2 ILE 54 HG23 ILE 54 -7.020 -1.281 0.624 373 2HG2 ILE 54 HG22 ILE 54 -8.048 -1.714 -0.744 374 3HG2 ILE 54 HG21 ILE 54 -8.156 -2.619 0.769 375 1HD1 ILE 54 HD11 ILE 54 -6.944 -2.312 -2.925 376 2HD1 ILE 54 HD12 ILE 54 -5.292 -2.035 -3.476 377 3HD1 ILE 54 HD13 ILE 54 -5.806 -3.657 -3.014 378 H LYS 55 HN LYS 55 -4.997 -1.397 1.814 379 HA LYS 55 HA LYS 55 -6.984 -1.600 3.984 380 1HB LYS 55 HB1 LYS 55 -4.218 -0.800 4.786 381 2HB LYS 55 HB2 LYS 55 -5.491 -1.542 5.750 382 1HG LYS 55 HG1 LYS 55 -5.162 -3.653 4.408 383 2HG LYS 55 HG2 LYS 55 -3.761 -2.889 3.657 384 1HD LYS 55 HD1 LYS 55 -3.360 -2.461 6.377 385 2HD LYS 55 HD2 LYS 55 -4.026 -4.092 6.311 386 1HE LYS 55 HE1 LYS 55 -1.999 -3.524 4.245 387 2HE LYS 55 HE2 LYS 55 -1.382 -3.471 5.896 388 1HZ LYS 55 HZ2 LYS 55 -3.121 -5.678 5.565 389 2HZ LYS 55 HZ3 LYS 55 -1.907 -5.719 4.377 390 3HZ LYS 55 HZ1 LYS 55 -1.482 -5.666 6.017 391 H CYS 56 HN CYS 56 -6.692 0.579 5.343 392 HA CYS 56 HA CYS 56 -6.633 2.747 3.307 393 1HB CYS 56 HB1 CYS 56 -7.513 3.255 6.118 394 2HB CYS 56 HB2 CYS 56 -8.173 3.879 4.609 395 H CYS 57 HN CYS 57 -5.060 4.313 3.389 396 HA CYS 57 HA CYS 57 -3.472 4.657 5.859 397 1HB CYS 57 HB1 CYS 57 -2.375 2.798 4.679 398 2HB CYS 57 HB2 CYS 57 -2.256 3.783 3.224 399 H SER 58 HN SER 58 -2.363 6.644 5.905 400 HA SER 58 HA SER 58 -2.610 8.349 3.503 401 1HB SER 58 HB1 SER 58 -3.182 10.238 5.260 402 2HB SER 58 HB2 SER 58 -4.458 9.212 4.611 403 HG SER 58 HG SER 58 -3.463 9.349 7.145 404 H ALA 59 HN ALA 59 -0.753 7.212 6.026 405 HA ALA 59 HA ALA 59 1.496 8.874 5.221 406 1HB ALA 59 HB1 ALA 59 0.293 9.249 7.978 407 2HB ALA 59 HB3 ALA 59 1.872 9.860 7.487 408 3HB ALA 59 HB2 ALA 59 0.409 10.470 6.711 409 H ASP 60 HN ASP 60 1.796 8.073 8.482 410 HA ASP 60 HA ASP 60 3.246 5.588 7.767 411 1HB ASP 60 HB1 ASP 60 4.546 7.184 9.088 412 2HB ASP 60 HB2 ASP 60 3.254 7.290 10.285 413 H LYS 61 HN LYS 61 0.380 5.793 7.795 414 HA LYS 61 HA LYS 61 -0.345 4.155 10.156 415 1HB LYS 61 HB1 LYS 61 -1.794 6.040 10.022 416 2HB LYS 61 HB2 LYS 61 -1.970 5.867 8.276 417 1HG LYS 61 HG1 LYS 61 -3.279 3.869 8.525 418 2HG LYS 61 HG2 LYS 61 -2.900 3.762 10.244 419 1HD LYS 61 HD1 LYS 61 -3.985 6.302 9.996 420 2HD LYS 61 HD2 LYS 61 -4.960 5.342 8.883 421 1HE LYS 61 HE1 LYS 61 -4.361 4.240 11.609 422 2HE LYS 61 HE2 LYS 61 -5.606 5.480 11.445 423 1HZ LYS 61 HZ2 LYS 61 -6.698 4.115 9.777 424 2HZ LYS 61 HZ3 LYS 61 -5.504 2.919 9.944 425 3HZ LYS 61 HZ1 LYS 61 -6.541 3.265 11.240 426 H CYS 62 HN CYS 62 0.663 3.779 7.068 427 HA CYS 62 HA CYS 62 -1.161 2.041 5.821 428 1HB CYS 62 HB1 CYS 62 1.867 2.060 5.803 429 2HB CYS 62 HB2 CYS 62 0.909 1.013 4.759 430 H ASN 63 HN ASN 63 1.534 1.165 8.006 431 HA ASN 63 HA ASN 63 0.235 -1.485 8.376 432 1HB ASN 63 HB1 ASN 63 2.488 -2.056 9.447 433 2HB ASN 63 HB2 ASN 63 2.509 -1.762 7.709 434 1HD2 ASN 63 HD22 ASN 63 4.999 0.681 8.174 435 2HD2 ASN 63 HD21 ASN 63 4.447 -0.665 7.299 436 H THR 64 HN THR 64 -1.365 -0.445 9.843 437 HA THR 64 HA THR 64 -0.591 -0.716 12.604 438 HB THR 64 HB THR 64 -1.464 2.001 12.546 439 HG1 THR 64 HG1 THR 64 0.714 2.598 11.531 440 1HG2 THR 64 HG21 THR 64 -0.090 0.612 14.214 441 2HG2 THR 64 HG23 THR 64 1.290 0.948 13.169 442 3HG2 THR 64 HG22 THR 64 0.426 2.278 13.943 443 H TYR 65 HN TYR 65 -2.499 -2.023 12.602 444 HA TYR 65 HA TYR 65 -4.988 -1.418 11.624 445 1HB TYR 65 HB1 TYR 65 -4.197 -3.529 12.891 446 2HB TYR 65 HB2 TYR 65 -4.733 -2.680 14.338 447 HD1 TYR 65 HD1 TYR 65 -7.111 -1.998 14.596 448 HD2 TYR 65 HD2 TYR 65 -5.774 -4.396 11.291 449 HE1 TYR 65 HE1 TYR 65 -9.459 -2.634 14.108 450 HE2 TYR 65 HE2 TYR 65 -8.121 -5.032 10.801 451 HH TYR 65 HH TYR 65 -10.739 -3.426 11.958 452 HA PRO 66 HA PRO 66 -6.024 1.067 15.568 453 1HB PRO 66 HB1 PRO 66 -3.930 1.720 17.229 454 2HB PRO 66 HB2 PRO 66 -4.917 0.261 17.416 455 1HG PRO 66 HG1 PRO 66 -2.130 0.551 16.383 456 2HG PRO 66 HG2 PRO 66 -2.901 -0.849 17.143 457 1HD PRO 66 HD1 PRO 66 -2.449 -0.455 14.361 458 2HD PRO 66 HD2 PRO 66 -3.439 -1.728 15.095 No H/Q in entry = 458 Start of MODEL 8 1 1H ARG 1 HT2 ARG 1 2.974 16.323 -1.630 2 2H ARG 1 HT3 ARG 1 2.810 16.260 -3.320 3 3H ARG 1 HT1 ARG 1 1.643 15.531 -2.329 4 HA ARG 1 HA ARG 1 2.979 13.806 -3.177 5 1HB ARG 1 HB1 ARG 1 4.891 15.712 -3.417 6 2HB ARG 1 HB2 ARG 1 5.480 14.856 -1.991 7 1HG ARG 1 HG1 ARG 1 5.999 13.000 -3.185 8 2HG ARG 1 HG2 ARG 1 4.521 13.096 -4.146 9 1HD ARG 1 HD1 ARG 1 6.017 13.636 -5.803 10 2HD ARG 1 HD2 ARG 1 5.818 15.250 -5.120 11 HE ARG 1 HE ARG 1 7.973 13.615 -3.945 12 1HH1 ARG 1 HH11 ARG 1 8.458 16.302 -3.444 13 2HH1 ARG 1 HH12 ARG 1 9.366 16.897 -4.794 14 1HH2 ARG 1 HH21 ARG 1 8.503 14.261 -6.876 15 2HH2 ARG 1 HH22 ARG 1 9.391 15.741 -6.737 16 H GLU 2 HN GLU 2 2.586 12.175 -1.791 17 HA GLU 2 HA GLU 2 3.713 12.250 0.938 18 1HB GLU 2 HB1 GLU 2 1.266 13.156 0.893 19 2HB GLU 2 HB2 GLU 2 0.816 11.479 0.579 20 1HG GLU 2 HG1 GLU 2 1.841 10.746 2.635 21 2HG GLU 2 HG2 GLU 2 2.572 12.331 2.898 22 H CYS 3 HN CYS 3 3.444 9.965 1.930 23 HA CYS 3 HA CYS 3 3.467 7.600 1.713 24 1HB CYS 3 HB1 CYS 3 2.668 8.044 -1.142 25 2HB CYS 3 HB2 CYS 3 2.461 6.572 -0.195 26 H TYR 4 HN TYR 4 5.830 9.103 1.257 27 HA TYR 4 HA TYR 4 7.087 7.610 -0.992 28 1HB TYR 4 HB1 TYR 4 8.957 9.471 -0.171 29 2HB TYR 4 HB2 TYR 4 7.882 9.626 -1.550 30 HD1 TYR 4 HD1 TYR 4 7.643 10.052 2.191 31 HD2 TYR 4 HD2 TYR 4 6.711 11.618 -1.699 32 HE1 TYR 4 HE1 TYR 4 6.597 12.041 3.242 33 HE2 TYR 4 HE2 TYR 4 5.671 13.599 -0.650 34 HH TYR 4 HH TYR 4 6.162 14.710 2.095 35 H LEU 5 HN LEU 5 6.579 6.819 1.942 36 HA LEU 5 HA LEU 5 9.279 5.876 2.410 37 1HB LEU 5 HB1 LEU 5 7.577 7.445 4.223 38 2HB LEU 5 HB2 LEU 5 8.719 6.298 4.872 39 HG LEU 5 HG LEU 5 9.453 8.411 2.842 40 1HD1 LEU 5 HD13 LEU 5 8.606 9.031 5.354 41 2HD1 LEU 5 HD12 LEU 5 10.320 8.748 5.659 42 3HD1 LEU 5 HD11 LEU 5 9.823 9.963 4.481 43 1HD2 LEU 5 HD21 LEU 5 10.827 6.198 4.120 44 2HD2 LEU 5 HD22 LEU 5 11.382 7.240 2.810 45 3HD2 LEU 5 HD23 LEU 5 11.633 7.722 4.489 46 H ASN 6 HN ASN 6 6.934 5.526 4.906 47 HA ASN 6 HA ASN 6 6.019 3.605 5.855 48 1HB ASN 6 HB1 ASN 6 4.368 2.636 4.556 49 2HB ASN 6 HB2 ASN 6 4.668 4.102 3.632 50 1HD2 ASN 6 HD22 ASN 6 5.322 2.194 0.765 51 2HD2 ASN 6 HD21 ASN 6 4.582 3.555 1.457 52 HA PRO 7 HA PRO 7 8.844 0.261 5.646 53 1HB PRO 7 HB1 PRO 7 7.247 -1.839 6.420 54 2HB PRO 7 HB2 PRO 7 7.814 -0.578 7.528 55 1HG PRO 7 HG1 PRO 7 5.097 -1.001 6.364 56 2HG PRO 7 HG2 PRO 7 5.555 -0.175 7.862 57 1HD PRO 7 HD1 PRO 7 4.866 1.044 5.371 58 2HD PRO 7 HD2 PRO 7 5.532 1.860 6.802 59 H HIS 8 HN HIS 8 8.189 0.732 3.010 60 HA HIS 8 HA HIS 8 8.465 -1.835 1.772 61 1HB HIS 8 HB1 HIS 8 5.709 -0.775 2.098 62 2HB HIS 8 HB2 HIS 8 6.116 -1.417 0.507 63 HD1 HIS 8 HD1 HIS 8 4.116 -2.954 2.279 64 HD2 HIS 8 HD2 HIS 8 8.217 -3.699 2.269 65 HE1 HIS 8 HE1 HIS 8 4.415 -5.322 3.129 66 H ASP 9 HN ASP 9 7.538 -1.405 -0.755 67 HA ASP 9 HA ASP 9 9.414 0.308 -1.938 68 1HB ASP 9 HB1 ASP 9 7.640 -1.441 -2.936 69 2HB ASP 9 HB2 ASP 9 6.782 0.054 -3.310 70 H THR 10 HN THR 10 5.951 1.057 -1.349 71 HA THR 10 HA THR 10 4.992 3.135 -0.795 72 HB THR 10 HB THR 10 7.483 4.695 -1.163 73 HG1 THR 10 HG1 THR 10 7.229 2.557 0.658 74 1HG2 THR 10 HG21 THR 10 5.046 4.886 0.250 75 2HG2 THR 10 HG23 THR 10 6.302 4.738 1.464 76 3HG2 THR 10 HG22 THR 10 6.385 6.022 0.269 77 H GLN 11 HN GLN 11 4.639 5.315 -1.929 78 HA GLN 11 HA GLN 11 5.676 5.696 -4.577 79 1HB GLN 11 HB1 GLN 11 4.269 3.889 -5.247 80 2HB GLN 11 HB2 GLN 11 2.937 4.465 -4.246 81 1HG GLN 11 HG1 GLN 11 2.787 6.500 -5.675 82 2HG GLN 11 HG2 GLN 11 4.065 5.846 -6.701 83 1HE2 GLN 11 HE22 GLN 11 1.877 3.698 -8.451 84 2HE2 GLN 11 HE21 GLN 11 3.448 4.321 -8.295 85 H THR 12 HN THR 12 5.927 7.859 -4.058 86 HA THR 12 HA THR 12 4.391 9.553 -2.563 87 HB THR 12 HB THR 12 5.386 11.352 -3.744 88 HG1 THR 12 HG1 THR 12 6.053 11.162 -5.845 89 1HG2 THR 12 HG21 THR 12 6.849 9.069 -2.988 90 2HG2 THR 12 HG23 THR 12 7.551 9.605 -4.514 91 3HG2 THR 12 HG22 THR 12 7.458 10.716 -3.148 92 H CYS 13 HN CYS 13 2.978 11.377 -3.364 93 HA CYS 13 HA CYS 13 1.236 10.728 -5.651 94 1HB CYS 13 HB1 CYS 13 0.173 9.484 -3.864 95 2HB CYS 13 HB2 CYS 13 0.292 10.867 -2.780 96 HA PRO 14 HA PRO 14 1.902 15.238 -4.744 97 1HB PRO 14 HB1 PRO 14 3.062 15.821 -7.172 98 2HB PRO 14 HB2 PRO 14 3.978 15.340 -5.734 99 1HG PRO 14 HG1 PRO 14 3.300 13.752 -8.182 100 2HG PRO 14 HG2 PRO 14 4.692 13.597 -7.099 101 1HD PRO 14 HD1 PRO 14 2.389 11.945 -7.105 102 2HD PRO 14 HD2 PRO 14 3.607 12.023 -5.813 103 H SER 15 HN SER 15 1.237 13.993 -8.046 104 HA SER 15 HA SER 15 -1.150 15.794 -8.121 105 1HB SER 15 HB1 SER 15 -0.681 15.026 -10.733 106 2HB SER 15 HB2 SER 15 -0.152 16.545 -10.015 107 HG SER 15 HG SER 15 1.780 15.858 -10.381 108 H GLY 16 HN GLY 16 -3.079 14.740 -8.082 109 1HA GLY 16 HA1 GLY 16 -4.116 12.765 -9.579 110 2HA GLY 16 HA2 GLY 16 -3.103 11.813 -8.492 111 H GLN 17 HN GLN 17 -3.800 11.501 -6.367 112 HA GLN 17 HA GLN 17 -6.460 12.698 -5.694 113 1HB GLN 17 HB1 GLN 17 -5.315 10.027 -4.821 114 2HB GLN 17 HB2 GLN 17 -6.908 10.656 -4.401 115 1HG GLN 17 HG1 GLN 17 -7.711 9.738 -6.295 116 2HG GLN 17 HG2 GLN 17 -6.696 10.849 -7.215 117 1HE2 GLN 17 HE22 GLN 17 -5.552 6.944 -6.768 118 2HE2 GLN 17 HE21 GLN 17 -6.844 7.563 -5.857 119 H GLU 18 HN GLU 18 -6.427 11.771 -2.982 120 HA GLU 18 HA GLU 18 -4.062 13.179 -1.835 121 1HB GLU 18 HB1 GLU 18 -5.502 14.417 -0.300 122 2HB GLU 18 HB2 GLU 18 -6.001 14.752 -1.959 123 1HG GLU 18 HG1 GLU 18 -7.626 12.726 -1.591 124 2HG GLU 18 HG2 GLU 18 -7.353 13.051 0.122 125 H ILE 19 HN ILE 19 -5.759 10.381 -1.956 126 HA ILE 19 HA ILE 19 -5.449 9.775 0.948 127 HB ILE 19 HB ILE 19 -6.714 8.007 -1.130 128 1HG1 ILE 19 HG11 ILE 19 -7.584 10.615 -0.453 129 2HG1 ILE 19 HG12 ILE 19 -8.484 9.395 -1.342 130 1HG2 ILE 19 HG21 ILE 19 -6.874 8.263 1.879 131 2HG2 ILE 19 HG22 ILE 19 -8.023 7.301 0.947 132 3HG2 ILE 19 HG23 ILE 19 -6.308 6.885 0.936 133 1HD1 ILE 19 HD13 ILE 19 -8.453 9.613 1.684 134 2HD1 ILE 19 HD11 ILE 19 -9.714 10.293 0.654 135 3HD1 ILE 19 HD12 ILE 19 -9.469 8.547 0.713 136 H CYS 20 HN CYS 20 -4.463 7.740 1.497 137 HA CYS 20 HA CYS 20 -2.422 6.865 -0.511 138 1HB CYS 20 HB1 CYS 20 -1.724 8.132 1.708 139 2HB CYS 20 HB2 CYS 20 -1.978 6.550 2.441 140 H TYR 21 HN TYR 21 -2.881 4.804 -1.184 141 HA TYR 21 HA TYR 21 -4.429 3.099 0.707 142 1HB TYR 21 HB1 TYR 21 -5.244 1.880 -1.111 143 2HB TYR 21 HB2 TYR 21 -5.147 3.507 -1.764 144 HD1 TYR 21 HD2 TYR 21 -2.007 3.480 -2.000 145 HD2 TYR 21 HD1 TYR 21 -5.105 0.774 -3.240 146 HE1 TYR 21 HE2 TYR 21 -0.554 2.645 -3.827 147 HE2 TYR 21 HE1 TYR 21 -3.646 -0.060 -5.061 148 HH TYR 21 HH TYR 21 -0.436 1.363 -5.640 149 H VAL 22 HN VAL 22 -3.741 0.841 0.988 150 HA VAL 22 HA VAL 22 -0.798 0.558 0.527 151 HB VAL 22 HB VAL 22 -0.552 -0.425 2.705 152 1HG1 VAL 22 HG11 VAL 22 -0.787 2.108 2.528 153 2HG1 VAL 22 HG13 VAL 22 -2.454 1.908 3.065 154 3HG1 VAL 22 HG12 VAL 22 -1.125 1.436 4.121 155 1HG2 VAL 22 HG22 VAL 22 -3.496 -0.674 2.476 156 2HG2 VAL 22 HG21 VAL 22 -2.331 -1.750 3.247 157 3HG2 VAL 22 HG23 VAL 22 -2.879 -0.299 4.085 158 H LYS 23 HN LYS 23 -0.600 -0.990 -1.007 159 HA LYS 23 HA LYS 23 -2.426 -3.348 -0.864 160 1HB LYS 23 HB1 LYS 23 -1.580 -3.769 -3.231 161 2HB LYS 23 HB2 LYS 23 -2.570 -2.325 -3.027 162 1HG LYS 23 HG1 LYS 23 -0.515 -0.953 -2.859 163 2HG LYS 23 HG2 LYS 23 0.464 -2.401 -3.091 164 1HD LYS 23 HD1 LYS 23 -1.530 -1.231 -5.055 165 2HD LYS 23 HD2 LYS 23 0.225 -1.243 -5.226 166 1HE LYS 23 HE1 LYS 23 0.193 -3.718 -5.246 167 2HE LYS 23 HE2 LYS 23 -1.564 -3.692 -5.102 168 1HZ LYS 23 HZ1 LYS 23 -0.873 -2.006 -7.203 169 2HZ LYS 23 HZ2 LYS 23 0.013 -3.440 -7.417 170 3HZ LYS 23 HZ3 LYS 23 -1.681 -3.494 -7.290 171 H SER 24 HN SER 24 -1.539 -5.182 -0.064 172 HA SER 24 HA SER 24 1.399 -5.563 -0.393 173 1HB SER 24 HB1 SER 24 1.039 -6.787 1.960 174 2HB SER 24 HB2 SER 24 1.421 -5.071 1.855 175 HG SER 24 HG SER 24 -0.433 -5.605 3.185 176 H TRP 25 HN TRP 25 1.753 -7.423 -1.493 177 HA TRP 25 HA TRP 25 0.087 -9.809 -0.854 178 1HB TRP 25 HB1 TRP 25 -0.368 -10.247 -3.204 179 2HB TRP 25 HB2 TRP 25 -0.927 -8.615 -2.823 180 HD1 TRP 25 HD1 TRP 25 1.410 -10.457 -5.071 181 HE1 TRP 25 HE1 TRP 25 2.794 -8.756 -6.441 182 HE3 TRP 25 HE3 TRP 25 0.263 -6.252 -2.525 183 HZ2 TRP 25 HZ2 TRP 25 3.342 -5.918 -6.408 184 HZ3 TRP 25 HZ3 TRP 25 1.205 -4.098 -3.152 185 HH2 TRP 25 HH2 TRP 25 2.750 -3.885 -5.095 186 H CYS 26 HN CYS 26 1.244 -11.751 -1.097 187 HA CYS 26 HA CYS 26 3.955 -11.552 -2.320 188 1HB CYS 26 HB1 CYS 26 5.045 -12.460 -0.477 189 2HB CYS 26 HB2 CYS 26 3.834 -11.459 0.312 190 H ASN 27 HN ASN 27 4.709 -14.197 -1.857 191 HA ASN 27 HA ASN 27 2.672 -15.640 -3.500 192 1HB ASN 27 HB1 ASN 27 4.721 -17.130 -4.037 193 2HB ASN 27 HB2 ASN 27 4.670 -15.523 -4.763 194 1HD2 ASN 27 HD22 ASN 27 7.457 -14.318 -2.922 195 2HD2 ASN 27 HD21 ASN 27 6.170 -13.907 -3.949 196 H ALA 28 HN ALA 28 3.265 -18.227 -3.134 197 HA ALA 28 HA ALA 28 2.451 -18.693 -0.384 198 1HB ALA 28 HB1 ALA 28 2.927 -20.431 -2.780 199 2HB ALA 28 HB3 ALA 28 2.774 -21.170 -1.186 200 3HB ALA 28 HB2 ALA 28 1.447 -20.213 -1.845 201 H TRP 29 HN TRP 29 5.369 -18.004 -1.604 202 HA TRP 29 HA TRP 29 6.764 -19.585 0.497 203 1HB TRP 29 HB1 TRP 29 7.816 -19.046 -2.268 204 2HB TRP 29 HB2 TRP 29 8.590 -19.980 -1.013 205 HD1 TRP 29 HD1 TRP 29 5.056 -20.072 -2.666 206 HE1 TRP 29 HE1 TRP 29 4.519 -22.559 -3.140 207 HE3 TRP 29 HE3 TRP 29 9.270 -22.176 -0.867 208 HZ2 TRP 29 HZ2 TRP 29 5.764 -25.136 -2.778 209 HZ3 TRP 29 HZ3 TRP 29 9.617 -24.651 -0.920 210 HH2 TRP 29 HH2 TRP 29 7.859 -26.128 -1.874 211 H CYS 30 HN CYS 30 5.802 -16.656 0.038 212 HA CYS 30 HA CYS 30 8.168 -15.047 -0.232 213 1HB CYS 30 HB1 CYS 30 6.766 -13.254 0.843 214 2HB CYS 30 HB2 CYS 30 6.037 -14.003 -0.577 215 H SER 31 HN SER 31 7.456 -17.206 2.208 216 HA SER 31 HA SER 31 7.843 -16.007 4.656 217 1HB SER 31 HB1 SER 31 8.671 -18.043 5.433 218 2HB SER 31 HB2 SER 31 7.885 -18.553 3.942 219 HG SER 31 HG SER 31 9.997 -19.371 4.066 220 H SER 32 HN SER 32 9.039 -14.108 4.611 221 HA SER 32 HA SER 32 10.919 -12.724 4.440 222 1HB SER 32 HB1 SER 32 12.612 -15.134 4.974 223 2HB SER 32 HB2 SER 32 12.806 -13.489 5.569 224 HG SER 32 HG SER 32 11.883 -14.288 7.285 225 H ARG 33 HN ARG 33 10.300 -12.922 2.134 226 HA ARG 33 HA ARG 33 12.667 -13.850 0.571 227 1HB ARG 33 HB1 ARG 33 10.411 -15.271 0.461 228 2HB ARG 33 HB2 ARG 33 9.961 -14.015 -0.691 229 1HG ARG 33 HG1 ARG 33 12.421 -14.522 -1.616 230 2HG ARG 33 HG2 ARG 33 12.102 -16.092 -0.878 231 1HD ARG 33 HD1 ARG 33 10.201 -16.467 -2.246 232 2HD ARG 33 HD2 ARG 33 10.099 -14.769 -2.713 233 HE ARG 33 HE ARG 33 11.349 -15.572 -4.562 234 1HH1 ARG 33 HH11 ARG 33 13.775 -14.829 -2.977 235 2HH1 ARG 33 HH12 ARG 33 14.708 -16.288 -3.032 236 1HH2 ARG 33 HH21 ARG 33 12.044 -18.270 -4.028 237 2HH2 ARG 33 HH22 ARG 33 13.728 -18.235 -3.627 238 H GLY 34 HN GLY 34 10.922 -12.910 -1.846 239 1HA GLY 34 HA1 GLY 34 11.632 -10.032 -1.507 240 2HA GLY 34 HA2 GLY 34 11.523 -10.865 -3.058 241 H LYS 35 HN LYS 35 9.312 -10.595 -0.252 242 HA LYS 35 HA LYS 35 6.900 -10.702 -1.641 243 1HB LYS 35 HB1 LYS 35 7.419 -8.826 0.682 244 2HB LYS 35 HB2 LYS 35 5.880 -9.557 0.227 245 1HG LYS 35 HG1 LYS 35 6.367 -11.465 1.338 246 2HG LYS 35 HG2 LYS 35 7.968 -11.562 0.603 247 1HD LYS 35 HD1 LYS 35 8.900 -10.086 2.257 248 2HD LYS 35 HD2 LYS 35 7.300 -9.667 2.871 249 1HE LYS 35 HE1 LYS 35 8.682 -12.359 3.057 250 2HE LYS 35 HE2 LYS 35 8.288 -11.274 4.390 251 1HZ LYS 35 HZ1 LYS 35 5.906 -11.520 3.636 252 2HZ LYS 35 HZ2 LYS 35 6.434 -12.822 2.680 253 3HZ LYS 35 HZ3 LYS 35 6.605 -12.880 4.369 254 H VAL 36 HN VAL 36 5.676 -9.250 -2.835 255 HA VAL 36 HA VAL 36 7.039 -6.700 -3.579 256 HB VAL 36 HB VAL 36 4.649 -7.367 -5.119 257 1HG1 VAL 36 HG11 VAL 36 7.390 -6.404 -5.477 258 2HG1 VAL 36 HG13 VAL 36 6.871 -7.476 -6.777 259 3HG1 VAL 36 HG12 VAL 36 5.938 -6.026 -6.404 260 1HG2 VAL 36 HG23 VAL 36 6.893 -9.405 -4.986 261 2HG2 VAL 36 HG22 VAL 36 5.182 -9.685 -4.659 262 3HG2 VAL 36 HG21 VAL 36 5.720 -9.327 -6.301 263 H LEU 37 HN LEU 37 6.186 -6.016 -1.340 264 HA LEU 37 HA LEU 37 3.300 -5.309 -1.457 265 1HB LEU 37 HB1 LEU 37 5.269 -5.751 0.782 266 2HB LEU 37 HB2 LEU 37 3.737 -4.940 1.048 267 HG LEU 37 HG LEU 37 2.494 -6.870 0.421 268 1HD1 LEU 37 HD13 LEU 37 5.118 -7.831 -0.705 269 2HD1 LEU 37 HD12 LEU 37 3.799 -8.952 -0.368 270 3HD1 LEU 37 HD11 LEU 37 3.573 -7.650 -1.533 271 1HD2 LEU 37 HD21 LEU 37 4.743 -7.214 2.286 272 2HD2 LEU 37 HD23 LEU 37 3.018 -7.494 2.533 273 3HD2 LEU 37 HD22 LEU 37 4.005 -8.716 1.730 274 H GLU 38 HN GLU 38 3.026 -3.214 -2.156 275 HA GLU 38 HA GLU 38 4.784 -1.134 -0.937 276 1HB GLU 38 HB1 GLU 38 4.733 0.075 -3.148 277 2HB GLU 38 HB2 GLU 38 5.659 -1.427 -3.165 278 1HG GLU 38 HG1 GLU 38 4.388 -1.936 -4.985 279 2HG GLU 38 HG2 GLU 38 3.139 -2.319 -3.800 280 H PHE 39 HN PHE 39 3.792 1.076 -1.174 281 HA PHE 39 HA PHE 39 0.827 0.935 -1.189 282 1HB PHE 39 HB1 PHE 39 2.482 2.749 0.580 283 2HB PHE 39 HB2 PHE 39 0.740 2.480 0.659 284 HD1 PHE 39 HD2 PHE 39 0.740 -0.512 0.203 285 HD2 PHE 39 HD1 PHE 39 3.148 1.975 2.749 286 HE1 PHE 39 HE2 PHE 39 1.111 -2.434 1.727 287 HE2 PHE 39 HE1 PHE 39 3.520 0.053 4.274 288 HZ PHE 39 HZ PHE 39 2.501 -2.154 3.763 289 H GLY 40 HN GLY 40 -0.179 3.116 -1.732 290 1HA GLY 40 HA1 GLY 40 1.612 5.025 -3.072 291 2HA GLY 40 HA2 GLY 40 0.517 4.152 -4.141 292 H CYS 41 HN CYS 41 -0.794 5.898 -4.712 293 HA CYS 41 HA CYS 41 -2.054 7.486 -2.549 294 1HB CYS 41 HB1 CYS 41 -0.966 8.388 -4.765 295 2HB CYS 41 HB2 CYS 41 -2.487 7.917 -5.487 296 H ALA 42 HN ALA 42 -4.417 8.086 -3.419 297 HA ALA 42 HA ALA 42 -6.020 6.211 -4.775 298 1HB ALA 42 HB1 ALA 42 -5.212 5.358 -2.115 299 2HB ALA 42 HB3 ALA 42 -6.966 5.483 -2.248 300 3HB ALA 42 HB2 ALA 42 -6.069 4.456 -3.365 301 H ALA 43 HN ALA 43 -8.391 6.333 -3.849 302 HA ALA 43 HA ALA 43 -8.894 9.179 -3.148 303 1HB ALA 43 HB3 ALA 43 -10.001 7.399 -5.151 304 2HB ALA 43 HB2 ALA 43 -11.272 8.037 -4.109 305 3HB ALA 43 HB1 ALA 43 -10.207 9.142 -4.979 306 H THR 44 HN THR 44 -10.009 5.841 -2.555 307 HA THR 44 HA THR 44 -10.768 6.640 0.178 308 HB THR 44 HB THR 44 -12.806 7.025 -1.243 309 HG1 THR 44 HG1 THR 44 -12.854 4.897 0.628 310 1HG2 THR 44 HG23 THR 44 -11.992 4.514 -2.326 311 2HG2 THR 44 HG22 THR 44 -13.574 4.294 -1.582 312 3HG2 THR 44 HG21 THR 44 -13.349 5.525 -2.823 313 H CYS 45 HN CYS 45 -10.734 4.874 1.602 314 HA CYS 45 HA CYS 45 -9.039 2.827 1.342 315 1HB CYS 45 HB1 CYS 45 -10.404 3.450 3.359 316 2HB CYS 45 HB2 CYS 45 -11.713 2.491 2.678 317 HA PRO 46 HA PRO 46 -11.162 0.499 -1.914 318 1HB PRO 46 HB1 PRO 46 -8.906 -0.853 -2.739 319 2HB PRO 46 HB2 PRO 46 -9.347 0.769 -3.298 320 1HG PRO 46 HG1 PRO 46 -7.199 -0.058 -1.417 321 2HG PRO 46 HG2 PRO 46 -7.337 1.421 -2.374 322 1HD PRO 46 HD1 PRO 46 -7.900 1.091 0.415 323 2HD PRO 46 HD2 PRO 46 -8.170 2.543 -0.571 324 H SER 47 HN SER 47 -12.014 -1.600 -1.844 325 HA SER 47 HA SER 47 -10.895 -3.406 0.265 326 1HB SER 47 HB1 SER 47 -13.117 -2.446 0.848 327 2HB SER 47 HB2 SER 47 -13.784 -3.160 -0.618 328 HG SER 47 HG SER 47 -12.356 -4.806 1.123 329 H VAL 48 HN VAL 48 -9.711 -3.810 -2.062 330 HA VAL 48 HA VAL 48 -11.246 -5.910 -3.502 331 HB VAL 48 HB VAL 48 -8.878 -4.251 -4.248 332 1HG1 VAL 48 HG11 VAL 48 -9.859 -6.831 -5.435 333 2HG1 VAL 48 HG13 VAL 48 -9.078 -5.623 -6.454 334 3HG1 VAL 48 HG12 VAL 48 -8.201 -6.334 -5.099 335 1HG2 VAL 48 HG21 VAL 48 -11.581 -4.724 -5.524 336 2HG2 VAL 48 HG23 VAL 48 -11.106 -3.283 -4.624 337 3HG2 VAL 48 HG22 VAL 48 -10.330 -3.657 -6.163 338 H ASN 49 HN ASN 49 -10.704 -8.014 -3.084 339 HA ASN 49 HA ASN 49 -8.123 -8.501 -1.737 340 1HB ASN 49 HB1 ASN 49 -10.370 -9.073 -0.586 341 2HB ASN 49 HB2 ASN 49 -10.436 -10.421 -1.721 342 1HD2 ASN 49 HD22 ASN 49 -8.665 -11.617 1.343 343 2HD2 ASN 49 HD21 ASN 49 -10.222 -11.034 1.001 344 H THR 50 HN THR 50 -8.635 -8.363 -4.692 345 HA THR 50 HA THR 50 -8.581 -11.055 -5.735 346 HB THR 50 HB THR 50 -7.184 -9.067 -7.363 347 HG1 THR 50 HG1 THR 50 -8.577 -7.491 -7.256 348 1HG2 THR 50 HG22 THR 50 -9.579 -10.871 -7.571 349 2HG2 THR 50 HG21 THR 50 -9.292 -9.639 -8.800 350 3HG2 THR 50 HG23 THR 50 -8.087 -10.894 -8.512 351 H GLY 51 HN GLY 51 -6.963 -12.087 -4.366 352 1HA GLY 51 HA1 GLY 51 -4.770 -12.704 -3.765 353 2HA GLY 51 HA2 GLY 51 -4.389 -12.326 -5.449 354 H THR 52 HN THR 52 -5.710 -9.821 -3.451 355 HA THR 52 HA THR 52 -3.008 -8.695 -2.924 356 HB THR 52 HB THR 52 -5.264 -7.336 -4.424 357 HG1 THR 52 HG1 THR 52 -3.396 -6.965 -5.845 358 1HG2 THR 52 HG21 THR 52 -2.792 -6.183 -3.114 359 2HG2 THR 52 HG23 THR 52 -3.691 -5.343 -4.378 360 3HG2 THR 52 HG22 THR 52 -4.471 -5.718 -2.842 361 H GLU 53 HN GLU 53 -2.923 -7.826 -0.887 362 HA GLU 53 HA GLU 53 -5.483 -7.569 0.593 363 1HB GLU 53 HB1 GLU 53 -2.807 -7.226 1.895 364 2HB GLU 53 HB2 GLU 53 -4.283 -7.934 2.549 365 1HG GLU 53 HG1 GLU 53 -3.650 -9.581 0.390 366 2HG GLU 53 HG2 GLU 53 -2.085 -9.218 1.117 367 H ILE 54 HN ILE 54 -6.212 -5.514 -0.130 368 HA ILE 54 HA ILE 54 -4.322 -3.252 0.187 369 HB ILE 54 HB ILE 54 -6.034 -3.743 -1.829 370 1HG1 ILE 54 HG11 ILE 54 -5.630 -0.911 -0.896 371 2HG1 ILE 54 HG12 ILE 54 -4.274 -1.897 -1.445 372 1HG2 ILE 54 HG21 ILE 54 -7.860 -3.198 0.128 373 2HG2 ILE 54 HG22 ILE 54 -7.626 -1.608 -0.594 374 3HG2 ILE 54 HG23 ILE 54 -8.140 -2.960 -1.594 375 1HD1 ILE 54 HD12 ILE 54 -6.194 -2.328 -3.399 376 2HD1 ILE 54 HD13 ILE 54 -6.398 -0.621 -3.008 377 3HD1 ILE 54 HD11 ILE 54 -4.827 -1.222 -3.534 378 H LYS 55 HN LYS 55 -5.141 -1.270 1.267 379 HA LYS 55 HA LYS 55 -7.360 -1.559 3.145 380 1HB LYS 55 HB1 LYS 55 -4.501 -1.794 4.014 381 2HB LYS 55 HB2 LYS 55 -5.641 -0.957 5.068 382 1HG LYS 55 HG1 LYS 55 -6.977 -3.281 4.209 383 2HG LYS 55 HG2 LYS 55 -5.336 -3.802 4.591 384 1HD LYS 55 HD1 LYS 55 -5.500 -3.085 6.825 385 2HD LYS 55 HD2 LYS 55 -6.840 -1.992 6.473 386 1HE LYS 55 HE1 LYS 55 -7.300 -4.879 5.920 387 2HE LYS 55 HE2 LYS 55 -7.192 -4.413 7.617 388 1HZ LYS 55 HZ1 LYS 55 -8.766 -2.550 6.185 389 2HZ LYS 55 HZ2 LYS 55 -9.364 -4.121 5.933 390 3HZ LYS 55 HZ3 LYS 55 -9.198 -3.514 7.511 391 H CYS 56 HN CYS 56 -6.957 0.498 4.814 392 HA CYS 56 HA CYS 56 -6.643 2.795 2.945 393 1HB CYS 56 HB1 CYS 56 -7.616 3.587 5.546 394 2HB CYS 56 HB2 CYS 56 -8.419 3.716 3.986 395 H CYS 57 HN CYS 57 -5.281 4.544 3.492 396 HA CYS 57 HA CYS 57 -3.758 4.554 5.980 397 1HB CYS 57 HB1 CYS 57 -2.589 2.757 4.791 398 2HB CYS 57 HB2 CYS 57 -2.396 3.791 3.378 399 H SER 58 HN SER 58 -2.586 6.507 6.212 400 HA SER 58 HA SER 58 -2.691 8.364 3.914 401 1HB SER 58 HB1 SER 58 -3.927 8.791 6.617 402 2HB SER 58 HB2 SER 58 -3.378 10.168 5.666 403 HG SER 58 HG SER 58 -5.516 9.746 5.163 404 H ALA 59 HN ALA 59 -0.983 7.055 6.471 405 HA ALA 59 HA ALA 59 1.317 8.739 5.873 406 1HB ALA 59 HB3 ALA 59 -0.048 9.002 8.566 407 2HB ALA 59 HB2 ALA 59 1.580 9.586 8.222 408 3HB ALA 59 HB1 ALA 59 0.197 10.280 7.376 409 H ASP 60 HN ASP 60 1.450 7.774 9.098 410 HA ASP 60 HA ASP 60 2.954 5.336 8.337 411 1HB ASP 60 HB1 ASP 60 3.953 7.108 9.895 412 2HB ASP 60 HB2 ASP 60 2.752 6.603 11.084 413 H LYS 61 HN LYS 61 0.093 5.499 8.194 414 HA LYS 61 HA LYS 61 -0.741 3.716 10.408 415 1HB LYS 61 HB1 LYS 61 -2.206 5.589 10.329 416 2HB LYS 61 HB2 LYS 61 -2.282 5.543 8.568 417 1HG LYS 61 HG1 LYS 61 -3.581 3.525 8.596 418 2HG LYS 61 HG2 LYS 61 -3.293 3.291 10.320 419 1HD LYS 61 HD1 LYS 61 -4.800 4.949 10.930 420 2HD LYS 61 HD2 LYS 61 -4.592 5.836 9.420 421 1HE LYS 61 HE1 LYS 61 -5.864 4.147 8.207 422 2HE LYS 61 HE2 LYS 61 -5.974 3.145 9.655 423 1HZ LYS 61 HZ3 LYS 61 -6.888 5.693 10.316 424 2HZ LYS 61 HZ1 LYS 61 -7.642 5.260 8.860 425 3HZ LYS 61 HZ2 LYS 61 -7.786 4.254 10.221 426 H CYS 62 HN CYS 62 0.367 3.613 7.303 427 HA CYS 62 HA CYS 62 -1.352 1.909 5.888 428 1HB CYS 62 HB1 CYS 62 1.671 2.022 5.981 429 2HB CYS 62 HB2 CYS 62 0.791 1.003 4.846 430 H ASN 63 HN ASN 63 1.249 0.984 8.161 431 HA ASN 63 HA ASN 63 0.065 -1.741 8.264 432 1HB ASN 63 HB1 ASN 63 2.213 -2.439 9.235 433 2HB ASN 63 HB2 ASN 63 2.479 -1.601 7.707 434 1HD2 ASN 63 HD22 ASN 63 4.181 -0.151 11.032 435 2HD2 ASN 63 HD21 ASN 63 3.484 -1.696 10.937 436 H THR 64 HN THR 64 -1.532 -0.112 9.604 437 HA THR 64 HA THR 64 -0.774 0.540 12.292 438 HB THR 64 HB THR 64 -3.550 0.001 12.254 439 HG1 THR 64 HG1 THR 64 -3.945 0.117 10.195 440 1HG2 THR 64 HG21 THR 64 -1.737 2.386 12.123 441 2HG2 THR 64 HG23 THR 64 -3.486 2.602 12.045 442 3HG2 THR 64 HG22 THR 64 -2.752 1.837 13.454 443 H TYR 65 HN TYR 65 -1.443 -0.549 14.257 444 HA TYR 65 HA TYR 65 -0.679 -3.033 14.797 445 1HB TYR 65 HB1 TYR 65 -1.660 -1.667 16.526 446 2HB TYR 65 HB2 TYR 65 -3.253 -1.795 15.781 447 HD1 TYR 65 HD2 TYR 65 -0.769 -4.543 16.064 448 HD2 TYR 65 HD1 TYR 65 -4.439 -2.881 17.561 449 HE1 TYR 65 HE2 TYR 65 -1.196 -6.630 17.336 450 HE2 TYR 65 HE1 TYR 65 -4.865 -4.968 18.834 451 HH TYR 65 HH TYR 65 -3.090 -7.838 18.303 452 HA PRO 66 HA PRO 66 -3.445 -5.218 11.886 453 1HB PRO 66 HB1 PRO 66 -1.566 -7.110 11.199 454 2HB PRO 66 HB2 PRO 66 -1.722 -5.539 10.393 455 1HG PRO 66 HG1 PRO 66 0.326 -6.474 12.363 456 2HG PRO 66 HG2 PRO 66 0.471 -5.249 11.093 457 1HD PRO 66 HD1 PRO 66 0.095 -4.762 13.860 458 2HD PRO 66 HD2 PRO 66 -0.078 -3.570 12.556 No H/Q in entry = 458 Start of MODEL 9 1 1H ARG 1 HT3 ARG 1 2.233 14.526 0.436 2 2H ARG 1 HT1 ARG 1 2.776 14.774 -1.151 3 3H ARG 1 HT2 ARG 1 1.110 14.772 -0.815 4 HA ARG 1 HA ARG 1 1.136 12.660 -1.450 5 1HB ARG 1 HB1 ARG 1 3.053 11.692 -2.248 6 2HB ARG 1 HB2 ARG 1 3.693 13.314 -2.040 7 1HG ARG 1 HG1 ARG 1 3.860 11.174 0.098 8 2HG ARG 1 HG2 ARG 1 5.141 11.491 -1.069 9 1HD ARG 1 HD1 ARG 1 5.071 13.921 -0.281 10 2HD ARG 1 HD2 ARG 1 4.060 13.360 1.050 11 HE ARG 1 HE ARG 1 5.963 11.985 1.814 12 1HH1 ARG 1 HH21 ARG 1 7.248 12.236 -1.034 13 2HH1 ARG 1 HH22 ARG 1 8.636 13.195 -0.641 14 1HH2 ARG 1 HH11 ARG 1 7.449 14.110 2.484 15 2HH2 ARG 1 HH12 ARG 1 8.749 14.255 1.350 16 H GLU 2 HN GLU 2 0.995 10.556 -0.342 17 HA GLU 2 HA GLU 2 1.637 10.713 2.568 18 1HB GLU 2 HB1 GLU 2 -0.929 9.542 1.469 19 2HB GLU 2 HB2 GLU 2 -0.517 9.820 3.161 20 1HG GLU 2 HG1 GLU 2 -0.169 12.322 2.064 21 2HG GLU 2 HG2 GLU 2 -1.537 11.703 1.137 22 H CYS 3 HN CYS 3 3.324 9.427 0.911 23 HA CYS 3 HA CYS 3 3.035 6.633 1.767 24 1HB CYS 3 HB1 CYS 3 3.695 7.142 -1.123 25 2HB CYS 3 HB2 CYS 3 3.151 5.645 -0.370 26 H TYR 4 HN TYR 4 4.877 9.056 0.009 27 HA TYR 4 HA TYR 4 7.182 9.386 -0.237 28 1HB TYR 4 HB1 TYR 4 8.256 8.881 2.231 29 2HB TYR 4 HB2 TYR 4 7.445 10.380 1.779 30 HD1 TYR 4 HD2 TYR 4 4.800 10.358 2.027 31 HD2 TYR 4 HD1 TYR 4 7.448 7.656 4.068 32 HE1 TYR 4 HE2 TYR 4 3.041 9.910 3.717 33 HE2 TYR 4 HE1 TYR 4 5.688 7.209 5.759 34 HH TYR 4 HH TYR 4 3.101 9.099 6.262 35 H LEU 5 HN LEU 5 7.601 6.853 2.223 36 HA LEU 5 HA LEU 5 8.667 5.138 0.142 37 1HB LEU 5 HB1 LEU 5 10.203 6.110 2.479 38 2HB LEU 5 HB2 LEU 5 10.678 4.687 1.568 39 HG LEU 5 HG LEU 5 10.078 7.208 0.070 40 1HD1 LEU 5 HD12 LEU 5 12.434 6.728 1.870 41 2HD1 LEU 5 HD11 LEU 5 12.667 7.612 0.362 42 3HD1 LEU 5 HD13 LEU 5 11.543 8.222 1.577 43 1HD2 LEU 5 HD23 LEU 5 10.975 4.668 -0.584 44 2HD2 LEU 5 HD21 LEU 5 11.113 6.096 -1.609 45 3HD2 LEU 5 HD22 LEU 5 12.458 5.622 -0.571 46 H ASN 6 HN ASN 6 7.878 5.308 3.622 47 HA ASN 6 HA ASN 6 7.076 3.598 5.028 48 1HB ASN 6 HB1 ASN 6 6.413 1.898 2.645 49 2HB ASN 6 HB2 ASN 6 5.476 2.182 4.112 50 1HD2 ASN 6 HD22 ASN 6 4.179 4.123 1.053 51 2HD2 ASN 6 HD21 ASN 6 4.811 2.549 1.119 52 HA PRO 7 HA PRO 7 10.166 0.452 5.102 53 1HB PRO 7 HB1 PRO 7 8.878 -1.928 5.600 54 2HB PRO 7 HB2 PRO 7 9.102 -0.650 6.807 55 1HG PRO 7 HG1 PRO 7 6.639 -1.455 5.332 56 2HG PRO 7 HG2 PRO 7 6.789 -0.628 6.891 57 1HD PRO 7 HD1 PRO 7 6.186 0.551 4.361 58 2HD PRO 7 HD2 PRO 7 6.524 1.416 5.877 59 H HIS 8 HN HIS 8 8.735 0.771 2.331 60 HA HIS 8 HA HIS 8 10.362 -0.892 0.813 61 1HB HIS 8 HB1 HIS 8 8.583 -2.686 0.174 62 2HB HIS 8 HB2 HIS 8 9.518 -2.900 1.653 63 HD1 HIS 8 HD1 HIS 8 7.229 -4.384 2.200 64 HD2 HIS 8 HD2 HIS 8 6.884 -0.231 2.288 65 HE1 HIS 8 HE1 HIS 8 5.107 -3.872 3.485 66 H ASP 9 HN ASP 9 10.217 -0.180 -1.239 67 HA ASP 9 HA ASP 9 9.444 1.110 -3.046 68 1HB ASP 9 HB1 ASP 9 7.246 -0.858 -2.448 69 2HB ASP 9 HB2 ASP 9 7.138 0.244 -3.821 70 H THR 10 HN THR 10 7.107 2.161 -3.830 71 HA THR 10 HA THR 10 5.288 3.262 -2.163 72 HB THR 10 HB THR 10 6.703 5.665 -2.139 73 HG1 THR 10 HG1 THR 10 8.682 4.953 -2.345 74 1HG2 THR 10 HG21 THR 10 5.190 4.458 -0.415 75 2HG2 THR 10 HG23 THR 10 6.692 3.791 0.212 76 3HG2 THR 10 HG22 THR 10 6.444 5.530 0.183 77 H GLN 11 HN GLN 11 4.393 5.404 -3.051 78 HA GLN 11 HA GLN 11 5.175 5.891 -5.839 79 1HB GLN 11 HB1 GLN 11 3.025 4.295 -5.310 80 2HB GLN 11 HB2 GLN 11 2.261 5.885 -5.385 81 1HG GLN 11 HG1 GLN 11 3.697 6.172 -7.557 82 2HG GLN 11 HG2 GLN 11 3.788 4.412 -7.515 83 1HE2 GLN 11 HE22 GLN 11 0.754 5.269 -9.488 84 2HE2 GLN 11 HE21 GLN 11 2.430 5.474 -9.670 85 H THR 12 HN THR 12 3.448 6.921 -2.952 86 HA THR 12 HA THR 12 3.121 9.054 -2.082 87 HB THR 12 HB THR 12 4.563 10.749 -2.679 88 HG1 THR 12 HG1 THR 12 5.459 10.599 -4.973 89 1HG2 THR 12 HG21 THR 12 5.681 8.426 -2.325 90 2HG2 THR 12 HG23 THR 12 6.053 8.530 -4.046 91 3HG2 THR 12 HG22 THR 12 6.664 9.757 -2.936 92 H CYS 13 HN CYS 13 1.578 10.658 -2.320 93 HA CYS 13 HA CYS 13 0.249 10.884 -4.984 94 1HB CYS 13 HB1 CYS 13 -0.976 9.370 -3.328 95 2HB CYS 13 HB2 CYS 13 -1.207 10.804 -2.334 96 HA PRO 14 HA PRO 14 1.194 14.961 -2.882 97 1HB PRO 14 HB1 PRO 14 2.997 15.855 -4.762 98 2HB PRO 14 HB2 PRO 14 3.453 14.957 -3.303 99 1HG PRO 14 HG1 PRO 14 3.305 14.027 -6.145 100 2HG PRO 14 HG2 PRO 14 4.339 13.445 -4.829 101 1HD PRO 14 HD1 PRO 14 1.981 12.190 -5.774 102 2HD PRO 14 HD2 PRO 14 2.815 11.826 -4.249 103 H SER 15 HN SER 15 1.152 14.427 -6.435 104 HA SER 15 HA SER 15 -0.597 16.819 -6.705 105 1HB SER 15 HB1 SER 15 0.162 17.018 -8.875 106 2HB SER 15 HB2 SER 15 1.549 16.193 -8.168 107 HG SER 15 HG SER 15 0.980 14.343 -9.082 108 H GLY 16 HN GLY 16 -2.551 16.635 -8.038 109 1HA GLY 16 HA1 GLY 16 -4.470 15.521 -8.844 110 2HA GLY 16 HA2 GLY 16 -3.565 14.007 -8.771 111 H GLN 17 HN GLN 17 -4.432 12.599 -7.331 112 HA GLN 17 HA GLN 17 -6.350 13.436 -5.331 113 1HB GLN 17 HB1 GLN 17 -4.915 10.803 -5.785 114 2HB GLN 17 HB2 GLN 17 -6.185 11.037 -4.583 115 1HG GLN 17 HG1 GLN 17 -7.771 10.800 -6.165 116 2HG GLN 17 HG2 GLN 17 -7.052 12.097 -7.120 117 1HE2 GLN 17 HE22 GLN 17 -5.480 8.361 -7.842 118 2HE2 GLN 17 HE21 GLN 17 -5.719 8.865 -6.239 119 H GLU 18 HN GLU 18 -5.829 12.280 -2.991 120 HA GLU 18 HA GLU 18 -3.068 13.028 -2.178 121 1HB GLU 18 HB1 GLU 18 -3.956 14.304 -0.247 122 2HB GLU 18 HB2 GLU 18 -4.442 15.028 -1.780 123 1HG GLU 18 HG1 GLU 18 -6.526 14.973 -0.843 124 2HG GLU 18 HG2 GLU 18 -6.500 13.290 -1.373 125 H ILE 19 HN ILE 19 -4.971 10.564 -2.397 126 HA ILE 19 HA ILE 19 -4.816 9.662 0.442 127 HB ILE 19 HB ILE 19 -6.093 8.189 -1.852 128 1HG1 ILE 19 HG11 ILE 19 -6.826 10.764 -1.123 129 2HG1 ILE 19 HG12 ILE 19 -7.870 9.600 -1.920 130 1HG2 ILE 19 HG21 ILE 19 -6.373 8.162 1.159 131 2HG2 ILE 19 HG22 ILE 19 -7.546 7.387 0.093 132 3HG2 ILE 19 HG23 ILE 19 -5.867 6.844 0.102 133 1HD1 ILE 19 HD12 ILE 19 -7.621 9.654 1.087 134 2HD1 ILE 19 HD13 ILE 19 -8.738 10.731 0.248 135 3HD1 ILE 19 HD11 ILE 19 -8.924 8.983 0.104 136 H CYS 20 HN CYS 20 -4.039 7.470 0.792 137 HA CYS 20 HA CYS 20 -2.025 6.606 -1.246 138 1HB CYS 20 HB1 CYS 20 -1.026 7.814 0.773 139 2HB CYS 20 HB2 CYS 20 -1.577 6.450 1.746 140 H TYR 21 HN TYR 21 -2.275 4.472 -1.785 141 HA TYR 21 HA TYR 21 -4.069 2.859 -0.038 142 1HB TYR 21 HB1 TYR 21 -4.576 1.529 -1.918 143 2HB TYR 21 HB2 TYR 21 -4.439 3.147 -2.602 144 HD1 TYR 21 HD2 TYR 21 -2.528 -0.004 -1.995 145 HD2 TYR 21 HD1 TYR 21 -2.832 3.629 -4.271 146 HE1 TYR 21 HE2 TYR 21 -0.715 -0.792 -3.491 147 HE2 TYR 21 HE1 TYR 21 -1.018 2.839 -5.769 148 HH TYR 21 HH TYR 21 0.041 0.800 -6.455 149 H VAL 22 HN VAL 22 -3.392 0.631 0.476 150 HA VAL 22 HA VAL 22 -0.419 0.328 0.354 151 HB VAL 22 HB VAL 22 -0.386 -0.520 2.601 152 1HG1 VAL 22 HG12 VAL 22 -1.187 2.095 1.996 153 2HG1 VAL 22 HG13 VAL 22 -2.279 1.591 3.285 154 3HG1 VAL 22 HG11 VAL 22 -0.536 1.535 3.536 155 1HG2 VAL 22 HG22 VAL 22 -3.323 -0.724 2.153 156 2HG2 VAL 22 HG21 VAL 22 -2.229 -1.842 2.966 157 3HG2 VAL 22 HG23 VAL 22 -2.773 -0.383 3.794 158 H LYS 23 HN LYS 23 -0.078 -1.331 -1.048 159 HA LYS 23 HA LYS 23 -1.969 -3.636 -1.033 160 1HB LYS 23 HB1 LYS 23 0.112 -2.657 -2.993 161 2HB LYS 23 HB2 LYS 23 -0.532 -4.297 -3.088 162 1HG LYS 23 HG1 LYS 23 -2.737 -3.521 -3.482 163 2HG LYS 23 HG2 LYS 23 -2.337 -1.878 -2.979 164 1HD LYS 23 HD1 LYS 23 -2.165 -1.543 -5.240 165 2HD LYS 23 HD2 LYS 23 -0.549 -2.206 -4.991 166 1HE LYS 23 HE1 LYS 23 -1.104 -3.827 -6.462 167 2HE LYS 23 HE2 LYS 23 -2.206 -4.451 -5.235 168 1HZ LYS 23 HZ1 LYS 23 -3.572 -2.377 -6.327 169 2HZ LYS 23 HZ2 LYS 23 -2.785 -3.055 -7.671 170 3HZ LYS 23 HZ3 LYS 23 -3.800 -4.014 -6.704 171 H SER 24 HN SER 24 -1.309 -5.585 -0.162 172 HA SER 24 HA SER 24 1.606 -5.952 0.307 173 1HB SER 24 HB1 SER 24 0.609 -7.061 2.568 174 2HB SER 24 HB2 SER 24 1.161 -5.391 2.479 175 HG SER 24 HG SER 24 -1.105 -5.947 3.269 176 H TRP 25 HN TRP 25 1.899 -7.683 -1.081 177 HA TRP 25 HA TRP 25 0.209 -10.093 -0.499 178 1HB TRP 25 HB1 TRP 25 0.418 -10.715 -2.870 179 2HB TRP 25 HB2 TRP 25 -0.341 -9.132 -2.703 180 HD1 TRP 25 HD1 TRP 25 2.646 -10.820 -4.197 181 HE1 TRP 25 HE1 TRP 25 4.104 -9.045 -5.380 182 HE3 TRP 25 HE3 TRP 25 0.474 -6.648 -2.363 183 HZ2 TRP 25 HZ2 TRP 25 4.309 -6.167 -5.487 184 HZ3 TRP 25 HZ3 TRP 25 1.295 -4.434 -2.957 185 HH2 TRP 25 HH2 TRP 25 3.209 -4.148 -4.526 186 H CYS 26 HN CYS 26 1.445 -12.119 -1.490 187 HA CYS 26 HA CYS 26 4.379 -11.865 -1.039 188 1HB CYS 26 HB1 CYS 26 2.470 -13.156 0.739 189 2HB CYS 26 HB2 CYS 26 3.664 -14.306 0.140 190 H ASN 27 HN ASN 27 5.111 -14.467 -1.291 191 HA ASN 27 HA ASN 27 3.964 -15.265 -3.940 192 1HB ASN 27 HB1 ASN 27 6.675 -14.747 -3.103 193 2HB ASN 27 HB2 ASN 27 6.519 -16.429 -3.608 194 1HD2 ASN 27 HD22 ASN 27 6.944 -15.216 -6.915 195 2HD2 ASN 27 HD21 ASN 27 7.605 -16.148 -5.659 196 H ALA 28 HN ALA 28 3.693 -16.069 -0.872 197 HA ALA 28 HA ALA 28 2.867 -18.045 0.087 198 1HB ALA 28 HB1 ALA 28 2.786 -18.675 -2.647 199 2HB ALA 28 HB3 ALA 28 3.664 -20.000 -1.884 200 3HB ALA 28 HB2 ALA 28 2.044 -19.583 -1.332 201 H TRP 29 HN TRP 29 5.937 -17.371 -0.911 202 HA TRP 29 HA TRP 29 7.059 -19.345 1.002 203 1HB TRP 29 HB1 TRP 29 8.190 -18.719 -1.717 204 2HB TRP 29 HB2 TRP 29 8.918 -19.757 -0.519 205 HD1 TRP 29 HD1 TRP 29 5.413 -19.546 -2.208 206 HE1 TRP 29 HE1 TRP 29 4.696 -21.972 -2.755 207 HE3 TRP 29 HE3 TRP 29 9.419 -22.002 -0.392 208 HZ2 TRP 29 HZ2 TRP 29 5.740 -24.645 -2.440 209 HZ3 TRP 29 HZ3 TRP 29 9.582 -24.493 -0.501 210 HH2 TRP 29 HH2 TRP 29 7.740 -25.812 -1.526 211 H CYS 30 HN CYS 30 6.501 -16.288 0.827 212 HA CYS 30 HA CYS 30 9.123 -15.049 0.817 213 1HB CYS 30 HB1 CYS 30 7.870 -13.094 1.802 214 2HB CYS 30 HB2 CYS 30 7.272 -13.668 0.247 215 H SER 31 HN SER 31 8.782 -17.281 2.808 216 HA SER 31 HA SER 31 8.458 -16.461 5.445 217 1HB SER 31 HB1 SER 31 9.022 -18.782 4.809 218 2HB SER 31 HB2 SER 31 10.652 -18.270 4.383 219 HG SER 31 HG SER 31 10.447 -17.343 6.718 220 H SER 32 HN SER 32 9.116 -14.299 5.741 221 HA SER 32 HA SER 32 10.610 -12.483 5.915 222 1HB SER 32 HB1 SER 32 12.710 -14.234 7.010 223 2HB SER 32 HB2 SER 32 11.957 -12.804 7.709 224 HG SER 32 HG SER 32 11.263 -15.453 7.961 225 H ARG 33 HN ARG 33 10.935 -12.376 3.635 226 HA ARG 33 HA ARG 33 13.763 -12.929 2.901 227 1HB ARG 33 HB1 ARG 33 11.997 -14.669 1.995 228 2HB ARG 33 HB2 ARG 33 11.632 -13.389 0.837 229 1HG ARG 33 HG1 ARG 33 13.324 -14.619 -0.245 230 2HG ARG 33 HG2 ARG 33 14.213 -13.287 0.495 231 1HD ARG 33 HD1 ARG 33 13.835 -15.686 2.199 232 2HD ARG 33 HD2 ARG 33 14.897 -15.898 0.807 233 HE ARG 33 HE ARG 33 15.533 -14.391 3.182 234 1HH1 ARG 33 HH11 ARG 33 16.006 -14.739 -0.213 235 2HH1 ARG 33 HH12 ARG 33 17.411 -13.727 -0.256 236 1HH2 ARG 33 HH21 ARG 33 17.292 -12.962 3.123 237 2HH2 ARG 33 HH22 ARG 33 18.140 -12.722 1.632 238 H GLY 34 HN GLY 34 10.922 -11.700 1.112 239 1HA GLY 34 HA1 GLY 34 11.765 -8.938 1.297 240 2HA GLY 34 HA2 GLY 34 12.224 -9.644 -0.254 241 H LYS 35 HN LYS 35 9.336 -9.770 1.876 242 HA LYS 35 HA LYS 35 7.375 -10.281 -0.011 243 1HB LYS 35 HB1 LYS 35 7.175 -8.221 2.211 244 2HB LYS 35 HB2 LYS 35 5.815 -9.004 1.404 245 1HG LYS 35 HG1 LYS 35 6.652 -11.209 2.193 246 2HG LYS 35 HG2 LYS 35 7.962 -10.389 3.045 247 1HD LYS 35 HD1 LYS 35 5.652 -9.036 3.856 248 2HD LYS 35 HD2 LYS 35 5.174 -10.733 3.829 249 1HE LYS 35 HE1 LYS 35 6.078 -10.319 6.012 250 2HE LYS 35 HE2 LYS 35 7.309 -11.223 5.131 251 1HZ LYS 35 HZ2 LYS 35 8.142 -8.880 4.487 252 2HZ LYS 35 HZ3 LYS 35 7.258 -8.369 5.844 253 3HZ LYS 35 HZ1 LYS 35 8.512 -9.498 6.026 254 H VAL 36 HN VAL 36 6.136 -8.994 -1.459 255 HA VAL 36 HA VAL 36 7.524 -6.504 -2.324 256 HB VAL 36 HB VAL 36 5.275 -7.564 -3.940 257 1HG1 VAL 36 HG13 VAL 36 8.110 -6.647 -4.494 258 2HG1 VAL 36 HG12 VAL 36 6.967 -7.136 -5.745 259 3HG1 VAL 36 HG11 VAL 36 6.629 -5.722 -4.746 260 1HG2 VAL 36 HG23 VAL 36 7.874 -9.092 -3.582 261 2HG2 VAL 36 HG22 VAL 36 6.248 -9.686 -3.246 262 3HG2 VAL 36 HG21 VAL 36 6.741 -9.360 -4.907 263 H LEU 37 HN LEU 37 6.484 -5.505 -0.342 264 HA LEU 37 HA LEU 37 3.620 -4.861 -0.773 265 1HB LEU 37 HB1 LEU 37 5.447 -4.937 1.615 266 2HB LEU 37 HB2 LEU 37 3.899 -4.113 1.672 267 HG LEU 37 HG LEU 37 2.743 -6.063 1.753 268 1HD1 LEU 37 HD13 LEU 37 3.345 -6.619 -0.629 269 2HD1 LEU 37 HD12 LEU 37 4.778 -7.443 -0.018 270 3HD1 LEU 37 HD11 LEU 37 3.172 -8.032 0.403 271 1HD2 LEU 37 HD22 LEU 37 5.532 -6.757 2.544 272 2HD2 LEU 37 HD21 LEU 37 4.075 -6.665 3.536 273 3HD2 LEU 37 HD23 LEU 37 4.331 -8.047 2.471 274 H GLU 38 HN GLU 38 3.435 -2.971 -1.882 275 HA GLU 38 HA GLU 38 5.114 -0.668 -0.972 276 1HB GLU 38 HB1 GLU 38 5.388 0.075 -3.228 277 2HB GLU 38 HB2 GLU 38 5.773 -1.645 -3.244 278 1HG GLU 38 HG1 GLU 38 4.240 -1.839 -4.894 279 2HG GLU 38 HG2 GLU 38 3.016 -1.576 -3.649 280 H PHE 39 HN PHE 39 4.045 1.398 -1.110 281 HA PHE 39 HA PHE 39 1.094 1.198 -1.404 282 1HB PHE 39 HB1 PHE 39 2.509 3.213 0.345 283 2HB PHE 39 HB2 PHE 39 0.810 2.742 0.385 284 HD1 PHE 39 HD2 PHE 39 1.323 -0.278 0.045 285 HD2 PHE 39 HD1 PHE 39 3.030 2.677 2.656 286 HE1 PHE 39 HE2 PHE 39 1.863 -2.049 1.695 287 HE2 PHE 39 HE1 PHE 39 3.573 0.905 4.305 288 HZ PHE 39 HZ PHE 39 2.989 -1.459 3.824 289 H GLY 40 HN GLY 40 0.072 3.010 -2.486 290 1HA GLY 40 HA1 GLY 40 1.984 4.946 -3.703 291 2HA GLY 40 HA2 GLY 40 0.877 4.056 -4.744 292 H CYS 41 HN CYS 41 -0.209 5.937 -5.444 293 HA CYS 41 HA CYS 41 -1.543 7.598 -3.399 294 1HB CYS 41 HB1 CYS 41 -0.474 8.936 -5.030 295 2HB CYS 41 HB2 CYS 41 -0.994 7.906 -6.354 296 H ALA 42 HN ALA 42 -3.803 8.114 -3.793 297 HA ALA 42 HA ALA 42 -5.462 6.433 -5.471 298 1HB ALA 42 HB3 ALA 42 -4.856 5.591 -2.716 299 2HB ALA 42 HB2 ALA 42 -6.579 5.665 -3.082 300 3HB ALA 42 HB1 ALA 42 -5.512 4.656 -4.059 301 H ALA 43 HN ALA 43 -7.853 6.685 -4.609 302 HA ALA 43 HA ALA 43 -8.199 9.547 -3.879 303 1HB ALA 43 HB1 ALA 43 -9.004 8.438 -6.167 304 2HB ALA 43 HB3 ALA 43 -10.390 7.990 -5.172 305 3HB ALA 43 HB2 ALA 43 -9.956 9.689 -5.365 306 H THR 44 HN THR 44 -9.521 6.270 -3.350 307 HA THR 44 HA THR 44 -10.356 7.105 -0.659 308 HB THR 44 HB THR 44 -12.284 7.723 -2.126 309 HG1 THR 44 HG1 THR 44 -12.786 7.143 -0.058 310 1HG2 THR 44 HG22 THR 44 -11.669 5.564 -3.593 311 2HG2 THR 44 HG21 THR 44 -12.897 4.841 -2.554 312 3HG2 THR 44 HG23 THR 44 -13.299 6.237 -3.554 313 H CYS 45 HN CYS 45 -10.667 5.324 0.728 314 HA CYS 45 HA CYS 45 -9.158 3.128 0.608 315 1HB CYS 45 HB1 CYS 45 -10.648 3.810 2.497 316 2HB CYS 45 HB2 CYS 45 -12.001 3.088 1.630 317 HA PRO 46 HA PRO 46 -10.775 0.717 -2.773 318 1HB PRO 46 HB1 PRO 46 -9.328 -1.578 -2.288 319 2HB PRO 46 HB2 PRO 46 -8.650 -0.134 -3.062 320 1HG PRO 46 HG1 PRO 46 -8.299 -1.146 -0.275 321 2HG PRO 46 HG2 PRO 46 -7.184 -0.197 -1.271 322 1HD PRO 46 HD1 PRO 46 -8.800 0.773 0.802 323 2HD PRO 46 HD2 PRO 46 -7.984 1.759 -0.426 324 H SER 47 HN SER 47 -11.753 -1.602 -3.030 325 HA SER 47 HA SER 47 -13.020 -2.528 -0.496 326 1HB SER 47 HB1 SER 47 -14.387 -1.686 -3.047 327 2HB SER 47 HB2 SER 47 -15.139 -2.855 -1.966 328 HG SER 47 HG SER 47 -15.605 -0.532 -1.614 329 H VAL 48 HN VAL 48 -11.036 -3.363 -2.876 330 HA VAL 48 HA VAL 48 -12.214 -6.075 -3.250 331 HB VAL 48 HB VAL 48 -10.292 -4.485 -4.891 332 1HG1 VAL 48 HG11 VAL 48 -10.929 -7.435 -5.020 333 2HG1 VAL 48 HG13 VAL 48 -10.220 -6.547 -6.369 334 3HG1 VAL 48 HG12 VAL 48 -9.340 -6.690 -4.847 335 1HG2 VAL 48 HG21 VAL 48 -13.109 -5.178 -5.006 336 2HG2 VAL 48 HG23 VAL 48 -12.217 -3.990 -5.957 337 3HG2 VAL 48 HG22 VAL 48 -12.262 -5.677 -6.470 338 H ASN 49 HN ASN 49 -11.302 -7.576 -1.920 339 HA ASN 49 HA ASN 49 -8.420 -7.324 -1.335 340 1HB ASN 49 HB1 ASN 49 -10.022 -6.752 0.589 341 2HB ASN 49 HB2 ASN 49 -10.417 -8.469 0.605 342 1HD2 ASN 49 HD22 ASN 49 -7.491 -7.747 2.916 343 2HD2 ASN 49 HD21 ASN 49 -9.034 -7.054 2.779 344 H THR 50 HN THR 50 -8.820 -8.825 -3.434 345 HA THR 50 HA THR 50 -9.667 -11.542 -2.896 346 HB THR 50 HB THR 50 -9.677 -10.601 -5.174 347 HG1 THR 50 HG1 THR 50 -9.031 -12.925 -4.572 348 1HG2 THR 50 HG22 THR 50 -7.102 -9.691 -4.428 349 2HG2 THR 50 HG21 THR 50 -6.874 -10.802 -5.781 350 3HG2 THR 50 HG23 THR 50 -7.943 -9.409 -5.953 351 H GLY 51 HN GLY 51 -6.773 -12.116 -4.377 352 1HA GLY 51 HA1 GLY 51 -5.585 -13.121 -1.903 353 2HA GLY 51 HA2 GLY 51 -4.907 -13.292 -3.526 354 H THR 52 HN THR 52 -5.815 -10.109 -3.073 355 HA THR 52 HA THR 52 -3.012 -9.312 -2.492 356 HB THR 52 HB THR 52 -5.359 -7.916 -3.807 357 HG1 THR 52 HG1 THR 52 -2.744 -8.277 -4.793 358 1HG2 THR 52 HG23 THR 52 -2.989 -6.796 -2.463 359 2HG2 THR 52 HG22 THR 52 -3.199 -6.242 -4.124 360 3HG2 THR 52 HG21 THR 52 -4.489 -6.005 -2.945 361 H GLU 53 HN GLU 53 -2.578 -8.407 -0.512 362 HA GLU 53 HA GLU 53 -4.834 -7.862 1.298 363 1HB GLU 53 HB1 GLU 53 -1.923 -7.397 1.944 364 2HB GLU 53 HB2 GLU 53 -3.239 -7.809 3.042 365 1HG GLU 53 HG1 GLU 53 -2.713 -9.778 0.884 366 2HG GLU 53 HG2 GLU 53 -1.448 -9.624 2.101 367 H ILE 54 HN ILE 54 -5.625 -5.986 0.020 368 HA ILE 54 HA ILE 54 -3.856 -3.615 0.092 369 HB ILE 54 HB ILE 54 -5.868 -4.517 -1.691 370 1HG1 ILE 54 HG11 ILE 54 -4.730 -1.758 -1.826 371 2HG1 ILE 54 HG12 ILE 54 -3.631 -3.134 -1.897 372 1HG2 ILE 54 HG23 ILE 54 -7.458 -3.276 -0.175 373 2HG2 ILE 54 HG22 ILE 54 -6.582 -1.809 -0.597 374 3HG2 ILE 54 HG21 ILE 54 -7.421 -2.714 -1.843 375 1HD1 ILE 54 HD13 ILE 54 -6.055 -2.786 -3.688 376 2HD1 ILE 54 HD11 ILE 54 -4.405 -2.382 -4.160 377 3HD1 ILE 54 HD12 ILE 54 -4.835 -4.055 -3.806 378 H LYS 55 HN LYS 55 -5.147 -1.522 0.667 379 HA LYS 55 HA LYS 55 -7.254 -1.637 2.599 380 1HB LYS 55 HB1 LYS 55 -4.441 -1.809 3.596 381 2HB LYS 55 HB2 LYS 55 -5.564 -0.781 4.484 382 1HG LYS 55 HG1 LYS 55 -7.103 -2.984 4.125 383 2HG LYS 55 HG2 LYS 55 -5.506 -3.729 4.192 384 1HD LYS 55 HD1 LYS 55 -6.061 -1.648 6.238 385 2HD LYS 55 HD2 LYS 55 -6.962 -3.155 6.407 386 1HE LYS 55 HE1 LYS 55 -4.231 -3.771 5.762 387 2HE LYS 55 HE2 LYS 55 -4.253 -2.649 7.122 388 1HZ LYS 55 HZ3 LYS 55 -6.259 -4.666 7.360 389 2HZ LYS 55 HZ1 LYS 55 -4.708 -5.340 7.238 390 3HZ LYS 55 HZ2 LYS 55 -5.048 -4.211 8.461 391 H CYS 56 HN CYS 56 -7.122 0.574 3.946 392 HA CYS 56 HA CYS 56 -6.405 2.671 1.944 393 1HB CYS 56 HB1 CYS 56 -7.960 3.895 3.928 394 2HB CYS 56 HB2 CYS 56 -8.500 3.432 2.321 395 H CYS 57 HN CYS 57 -4.904 4.196 2.500 396 HA CYS 57 HA CYS 57 -4.176 4.539 5.347 397 1HB CYS 57 HB1 CYS 57 -2.678 2.776 4.795 398 2HB CYS 57 HB2 CYS 57 -2.342 3.457 3.206 399 H SER 58 HN SER 58 -3.285 6.566 5.749 400 HA SER 58 HA SER 58 -2.619 8.235 3.401 401 1HB SER 58 HB1 SER 58 -4.689 9.185 3.604 402 2HB SER 58 HB2 SER 58 -4.877 8.648 5.272 403 HG SER 58 HG SER 58 -4.186 10.497 5.917 404 H ALA 59 HN ALA 59 -1.616 7.004 6.231 405 HA ALA 59 HA ALA 59 0.480 9.020 6.486 406 1HB ALA 59 HB2 ALA 59 -1.634 8.753 8.637 407 2HB ALA 59 HB1 ALA 59 -0.059 9.498 8.914 408 3HB ALA 59 HB3 ALA 59 -1.180 10.212 7.755 409 H ASP 60 HN ASP 60 -0.088 7.655 9.501 410 HA ASP 60 HA ASP 60 1.897 5.527 8.950 411 1HB ASP 60 HB1 ASP 60 2.187 7.204 10.878 412 2HB ASP 60 HB2 ASP 60 0.834 6.381 11.656 413 H LYS 61 HN LYS 61 -0.850 5.399 8.090 414 HA LYS 61 HA LYS 61 -1.922 3.244 9.814 415 1HB LYS 61 HB1 LYS 61 -3.568 4.954 9.546 416 2HB LYS 61 HB2 LYS 61 -3.243 5.078 7.816 417 1HG LYS 61 HG1 LYS 61 -4.414 3.146 7.324 418 2HG LYS 61 HG2 LYS 61 -4.089 2.422 8.897 419 1HD LYS 61 HD1 LYS 61 -6.489 3.132 8.566 420 2HD LYS 61 HD2 LYS 61 -5.710 3.866 9.967 421 1HE LYS 61 HE1 LYS 61 -5.409 5.368 7.437 422 2HE LYS 61 HE2 LYS 61 -7.056 5.279 8.058 423 1HZ LYS 61 HZ1 LYS 61 -5.513 5.782 10.257 424 2HZ LYS 61 HZ2 LYS 61 -4.828 6.759 9.047 425 3HZ LYS 61 HZ3 LYS 61 -6.477 6.906 9.430 426 H CYS 62 HN CYS 62 -0.009 3.604 7.220 427 HA CYS 62 HA CYS 62 -1.147 1.866 5.263 428 1HB CYS 62 HB1 CYS 62 1.668 2.735 5.899 429 2HB CYS 62 HB2 CYS 62 1.341 1.574 4.616 430 H ASN 63 HN ASN 63 0.474 1.265 8.284 431 HA ASN 63 HA ASN 63 0.716 -1.619 7.617 432 1HB ASN 63 HB1 ASN 63 2.127 -1.788 9.601 433 2HB ASN 63 HB2 ASN 63 2.705 -0.463 8.591 434 1HD2 ASN 63 HD22 ASN 63 1.454 0.305 12.347 435 2HD2 ASN 63 HD21 ASN 63 1.608 -1.276 11.748 436 H THR 64 HN THR 64 -0.591 0.550 10.133 437 HA THR 64 HA THR 64 -2.368 0.230 11.634 438 HB THR 64 HB THR 64 -3.681 -2.004 10.414 439 HG1 THR 64 HG1 THR 64 -3.274 0.065 8.578 440 1HG2 THR 64 HG21 THR 64 -4.085 0.809 11.129 441 2HG2 THR 64 HG23 THR 64 -5.013 0.305 9.716 442 3HG2 THR 64 HG22 THR 64 -5.201 -0.553 11.245 443 H TYR 65 HN TYR 65 -0.935 -0.611 13.264 444 HA TYR 65 HA TYR 65 0.229 -2.953 13.754 445 1HB TYR 65 HB1 TYR 65 -0.241 -1.065 15.411 446 2HB TYR 65 HB2 TYR 65 -1.737 -1.921 15.790 447 HD1 TYR 65 HD1 TYR 65 1.957 -2.084 15.886 448 HD2 TYR 65 HD2 TYR 65 -1.711 -4.041 16.974 449 HE1 TYR 65 HE1 TYR 65 3.217 -3.615 17.376 450 HE2 TYR 65 HE2 TYR 65 -0.451 -5.573 18.464 451 HH TYR 65 HH TYR 65 2.848 -5.972 18.324 452 HA PRO 66 HA PRO 66 -3.364 -5.647 12.913 453 1HB PRO 66 HB1 PRO 66 -1.859 -7.644 11.765 454 2HB PRO 66 HB2 PRO 66 -2.501 -6.256 10.869 455 1HG PRO 66 HG1 PRO 66 0.295 -6.803 11.783 456 2HG PRO 66 HG2 PRO 66 -0.264 -5.849 10.399 457 1HD PRO 66 HD1 PRO 66 0.634 -4.831 12.887 458 2HD PRO 66 HD2 PRO 66 -0.227 -3.915 11.632 No H/Q in entry = 458 Start of MODEL 10 1 1H ARG 1 HT1 ARG 1 3.551 15.222 -0.789 2 2H ARG 1 HT2 ARG 1 4.072 15.486 -2.385 3 3H ARG 1 HT3 ARG 1 2.439 15.714 -1.972 4 HA ARG 1 HA ARG 1 2.131 13.676 -2.740 5 1HB ARG 1 HB1 ARG 1 3.849 12.440 -3.633 6 2HB ARG 1 HB2 ARG 1 4.730 13.941 -3.390 7 1HG ARG 1 HG1 ARG 1 4.642 11.679 -1.378 8 2HG ARG 1 HG2 ARG 1 5.954 11.945 -2.525 9 1HD ARG 1 HD1 ARG 1 5.805 14.416 -1.454 10 2HD ARG 1 HD2 ARG 1 5.230 13.476 -0.077 11 HE ARG 1 HE ARG 1 7.476 12.099 -0.788 12 1HH1 ARG 1 HH21 ARG 1 7.462 15.326 -1.573 13 2HH1 ARG 1 HH22 ARG 1 8.759 15.786 -0.522 14 1HH2 ARG 1 HH11 ARG 1 8.873 12.731 1.113 15 2HH2 ARG 1 HH12 ARG 1 9.558 14.318 0.998 16 H GLU 2 HN GLU 2 1.920 11.441 -1.845 17 HA GLU 2 HA GLU 2 2.355 11.376 1.109 18 1HB GLU 2 HB1 GLU 2 -0.113 11.625 -0.058 19 2HB GLU 2 HB2 GLU 2 0.035 9.872 0.065 20 1HG GLU 2 HG1 GLU 2 0.443 10.013 2.444 21 2HG GLU 2 HG2 GLU 2 0.555 11.772 2.370 22 H CYS 3 HN CYS 3 2.371 9.059 1.923 23 HA CYS 3 HA CYS 3 2.892 6.777 1.703 24 1HB CYS 3 HB1 CYS 3 3.374 7.166 -1.244 25 2HB CYS 3 HB2 CYS 3 2.923 5.689 -0.394 26 H TYR 4 HN TYR 4 4.713 9.023 -0.338 27 HA TYR 4 HA TYR 4 7.030 9.227 -0.691 28 1HB TYR 4 HB1 TYR 4 8.085 9.011 1.855 29 2HB TYR 4 HB2 TYR 4 7.413 10.480 1.149 30 HD1 TYR 4 HD2 TYR 4 4.865 10.882 1.424 31 HD2 TYR 4 HD1 TYR 4 7.061 8.011 3.748 32 HE1 TYR 4 HE2 TYR 4 3.054 10.869 3.119 33 HE2 TYR 4 HE1 TYR 4 5.250 7.999 5.445 34 HH TYR 4 HH TYR 4 2.427 10.149 5.127 35 H LEU 5 HN LEU 5 7.506 7.161 2.138 36 HA LEU 5 HA LEU 5 8.370 5.049 0.348 37 1HB LEU 5 HB1 LEU 5 10.044 5.738 2.677 38 2HB LEU 5 HB2 LEU 5 10.454 4.779 1.268 39 HG LEU 5 HG LEU 5 9.826 7.123 0.069 40 1HD1 LEU 5 HD12 LEU 5 9.628 7.934 2.613 41 2HD1 LEU 5 HD11 LEU 5 11.369 8.133 2.417 42 3HD1 LEU 5 HD13 LEU 5 10.258 8.992 1.351 43 1HD2 LEU 5 HD23 LEU 5 12.307 5.824 1.002 44 2HD2 LEU 5 HD21 LEU 5 11.885 6.422 -0.603 45 3HD2 LEU 5 HD22 LEU 5 12.477 7.539 0.628 46 H ASN 6 HN ASN 6 8.097 5.754 3.834 47 HA ASN 6 HA ASN 6 7.289 4.376 5.555 48 1HB ASN 6 HB1 ASN 6 5.132 3.626 5.198 49 2HB ASN 6 HB2 ASN 6 5.290 4.655 3.780 50 1HD2 ASN 6 HD22 ASN 6 4.718 1.950 1.608 51 2HD2 ASN 6 HD21 ASN 6 4.598 3.617 1.907 52 HA PRO 7 HA PRO 7 9.276 0.460 5.304 53 1HB PRO 7 HB1 PRO 7 7.683 -1.130 6.886 54 2HB PRO 7 HB2 PRO 7 8.761 0.124 7.521 55 1HG PRO 7 HG1 PRO 7 5.786 0.129 7.258 56 2HG PRO 7 HG2 PRO 7 6.810 1.032 8.386 57 1HD PRO 7 HD1 PRO 7 5.593 2.031 6.007 58 2HD PRO 7 HD2 PRO 7 6.808 2.864 7.001 59 H HIS 8 HN HIS 8 8.124 0.573 2.888 60 HA HIS 8 HA HIS 8 7.673 -2.018 2.016 61 1HB HIS 8 HB1 HIS 8 5.351 -0.951 3.435 62 2HB HIS 8 HB2 HIS 8 4.957 -1.463 1.794 63 HD1 HIS 8 HD1 HIS 8 3.625 -3.392 3.254 64 HD2 HIS 8 HD2 HIS 8 7.785 -3.636 3.148 65 HE1 HIS 8 HE1 HIS 8 4.221 -5.750 3.946 66 H ASP 9 HN ASP 9 8.817 -0.801 0.320 67 HA ASP 9 HA ASP 9 8.930 0.564 -1.617 68 1HB ASP 9 HB1 ASP 9 6.733 -1.402 -1.805 69 2HB ASP 9 HB2 ASP 9 6.654 -0.099 -2.987 70 H THR 10 HN THR 10 6.725 1.669 -3.141 71 HA THR 10 HA THR 10 4.832 3.093 -1.783 72 HB THR 10 HB THR 10 6.466 5.342 -2.025 73 HG1 THR 10 HG1 THR 10 8.399 4.723 -1.585 74 1HG2 THR 10 HG23 THR 10 5.730 3.721 0.430 75 2HG2 THR 10 HG22 THR 10 6.343 5.362 0.462 76 3HG2 THR 10 HG21 THR 10 4.791 5.029 -0.283 77 H GLN 11 HN GLN 11 4.158 5.138 -3.049 78 HA GLN 11 HA GLN 11 5.104 5.012 -5.836 79 1HB GLN 11 HB1 GLN 11 2.182 5.249 -5.130 80 2HB GLN 11 HB2 GLN 11 2.888 4.949 -6.718 81 1HG GLN 11 HG1 GLN 11 3.350 3.045 -4.423 82 2HG GLN 11 HG2 GLN 11 1.904 2.924 -5.427 83 1HE2 GLN 11 HE21 GLN 11 2.752 3.343 -7.980 84 2HE2 GLN 11 HE22 GLN 11 3.980 2.256 -8.420 85 H THR 12 HN THR 12 4.316 6.917 -3.148 86 HA THR 12 HA THR 12 4.162 9.228 -2.832 87 HB THR 12 HB THR 12 5.545 10.582 -4.203 88 HG1 THR 12 HG1 THR 12 4.702 10.151 -6.205 89 1HG2 THR 12 HG23 THR 12 6.453 8.195 -3.187 90 2HG2 THR 12 HG22 THR 12 7.024 8.128 -4.854 91 3HG2 THR 12 HG21 THR 12 7.484 9.479 -3.817 92 H CYS 13 HN CYS 13 2.807 10.962 -3.318 93 HA CYS 13 HA CYS 13 1.134 10.839 -5.751 94 1HB CYS 13 HB1 CYS 13 0.015 9.432 -4.032 95 2HB CYS 13 HB2 CYS 13 0.024 10.809 -2.935 96 HA PRO 14 HA PRO 14 2.244 15.061 -4.048 97 1HB PRO 14 HB1 PRO 14 3.721 15.848 -6.241 98 2HB PRO 14 HB2 PRO 14 4.414 15.066 -4.812 99 1HG PRO 14 HG1 PRO 14 3.858 13.931 -7.527 100 2HG PRO 14 HG2 PRO 14 5.100 13.466 -6.352 101 1HD PRO 14 HD1 PRO 14 2.672 12.094 -6.829 102 2HD PRO 14 HD2 PRO 14 3.725 11.872 -5.415 103 H SER 15 HN SER 15 1.124 13.862 -7.169 104 HA SER 15 HA SER 15 -0.680 16.228 -7.356 105 1HB SER 15 HB1 SER 15 0.856 15.010 -9.674 106 2HB SER 15 HB2 SER 15 -0.299 16.335 -9.786 107 HG SER 15 HG SER 15 2.293 16.327 -8.821 108 H GLY 16 HN GLY 16 -2.772 15.614 -7.711 109 1HA GLY 16 HA1 GLY 16 -4.224 14.111 -9.182 110 2HA GLY 16 HA2 GLY 16 -3.231 12.785 -8.575 111 H GLN 17 HN GLN 17 -4.465 11.641 -7.151 112 HA GLN 17 HA GLN 17 -6.640 12.807 -5.650 113 1HB GLN 17 HB1 GLN 17 -5.189 10.181 -5.200 114 2HB GLN 17 HB2 GLN 17 -6.766 10.618 -4.544 115 1HG GLN 17 HG1 GLN 17 -6.143 10.527 -7.510 116 2HG GLN 17 HG2 GLN 17 -6.869 9.187 -6.623 117 1HE2 GLN 17 HE22 GLN 17 -9.533 11.473 -8.096 118 2HE2 GLN 17 HE21 GLN 17 -8.163 10.743 -8.783 119 H GLU 18 HN GLU 18 -6.299 11.776 -3.066 120 HA GLU 18 HA GLU 18 -3.812 13.058 -2.054 121 1HB GLU 18 HB1 GLU 18 -6.442 13.616 -0.701 122 2HB GLU 18 HB2 GLU 18 -4.928 14.514 -0.589 123 1HG GLU 18 HG1 GLU 18 -5.364 14.812 -3.214 124 2HG GLU 18 HG2 GLU 18 -7.038 14.591 -2.704 125 H ILE 19 HN ILE 19 -5.546 10.330 -2.171 126 HA ILE 19 HA ILE 19 -5.199 9.644 0.712 127 HB ILE 19 HB ILE 19 -6.522 7.941 -1.380 128 1HG1 ILE 19 HG11 ILE 19 -7.357 10.533 -0.811 129 2HG1 ILE 19 HG12 ILE 19 -8.366 9.261 -1.478 130 1HG2 ILE 19 HG21 ILE 19 -6.608 8.143 1.630 131 2HG2 ILE 19 HG22 ILE 19 -7.843 7.269 0.722 132 3HG2 ILE 19 HG23 ILE 19 -6.157 6.756 0.637 133 1HD1 ILE 19 HD13 ILE 19 -8.009 9.754 1.493 134 2HD1 ILE 19 HD11 ILE 19 -9.353 10.387 0.542 135 3HD1 ILE 19 HD12 ILE 19 -9.153 8.645 0.733 136 H CYS 20 HN CYS 20 -4.234 7.578 1.192 137 HA CYS 20 HA CYS 20 -2.345 6.617 -0.919 138 1HB CYS 20 HB1 CYS 20 -1.216 8.013 0.874 139 2HB CYS 20 HB2 CYS 20 -1.703 6.786 2.041 140 H TYR 21 HN TYR 21 -2.918 4.517 -1.385 141 HA TYR 21 HA TYR 21 -4.267 2.995 0.784 142 1HB TYR 21 HB1 TYR 21 -5.115 1.529 -0.863 143 2HB TYR 21 HB2 TYR 21 -5.203 3.117 -1.619 144 HD1 TYR 21 HD2 TYR 21 -2.835 0.208 -1.278 145 HD2 TYR 21 HD1 TYR 21 -4.316 3.397 -3.740 146 HE1 TYR 21 HE2 TYR 21 -1.424 -0.589 -3.156 147 HE2 TYR 21 HE1 TYR 21 -2.905 2.604 -5.621 148 HH TYR 21 HH TYR 21 -1.365 1.146 -6.271 149 H VAL 22 HN VAL 22 -3.563 0.742 1.151 150 HA VAL 22 HA VAL 22 -0.658 0.418 0.547 151 HB VAL 22 HB VAL 22 -0.253 -0.379 2.775 152 1HG1 VAL 22 HG12 VAL 22 -0.392 2.091 2.550 153 2HG1 VAL 22 HG13 VAL 22 -2.112 2.023 2.929 154 3HG1 VAL 22 HG11 VAL 22 -0.922 1.567 4.147 155 1HG2 VAL 22 HG23 VAL 22 -3.263 -0.382 2.970 156 2HG2 VAL 22 HG22 VAL 22 -2.147 -1.721 3.244 157 3HG2 VAL 22 HG21 VAL 22 -2.242 -0.399 4.407 158 H LYS 23 HN LYS 23 -0.621 -1.234 -0.903 159 HA LYS 23 HA LYS 23 -2.555 -3.467 -0.594 160 1HB LYS 23 HB1 LYS 23 -0.870 -2.403 -2.817 161 2HB LYS 23 HB2 LYS 23 -1.215 -4.134 -2.818 162 1HG LYS 23 HG1 LYS 23 -3.684 -3.168 -2.273 163 2HG LYS 23 HG2 LYS 23 -3.042 -1.837 -3.235 164 1HD LYS 23 HD1 LYS 23 -2.244 -3.771 -4.837 165 2HD LYS 23 HD2 LYS 23 -3.501 -4.701 -4.021 166 1HE LYS 23 HE1 LYS 23 -4.504 -3.690 -5.966 167 2HE LYS 23 HE2 LYS 23 -5.104 -2.818 -4.556 168 1HZ LYS 23 HZ1 LYS 23 -3.363 -1.151 -4.934 169 2HZ LYS 23 HZ2 LYS 23 -2.887 -1.973 -6.342 170 3HZ LYS 23 HZ3 LYS 23 -4.430 -1.268 -6.246 171 H SER 24 HN SER 24 -1.893 -5.518 0.005 172 HA SER 24 HA SER 24 1.042 -5.932 0.260 173 1HB SER 24 HB1 SER 24 -1.063 -6.124 2.372 174 2HB SER 24 HB2 SER 24 0.263 -7.282 2.419 175 HG SER 24 HG SER 24 1.462 -5.770 3.183 176 H TRP 25 HN TRP 25 1.280 -7.442 -1.335 177 HA TRP 25 HA TRP 25 -0.287 -9.973 -0.999 178 1HB TRP 25 HB1 TRP 25 -0.320 -10.230 -3.430 179 2HB TRP 25 HB2 TRP 25 -1.042 -8.680 -2.992 180 HD1 TRP 25 HD1 TRP 25 1.798 -10.169 -4.925 181 HE1 TRP 25 HE1 TRP 25 3.189 -8.261 -5.974 182 HE3 TRP 25 HE3 TRP 25 -0.183 -6.262 -2.417 183 HZ2 TRP 25 HZ2 TRP 25 3.422 -5.391 -5.721 184 HZ3 TRP 25 HZ3 TRP 25 0.619 -3.992 -2.778 185 HH2 TRP 25 HH2 TRP 25 2.417 -3.514 -4.431 186 H CYS 26 HN CYS 26 0.896 -11.899 -1.518 187 HA CYS 26 HA CYS 26 3.800 -11.602 -2.088 188 1HB CYS 26 HB1 CYS 26 4.016 -11.684 0.222 189 2HB CYS 26 HB2 CYS 26 2.556 -12.635 0.437 190 H ASN 27 HN ASN 27 4.760 -13.755 -2.656 191 HA ASN 27 HA ASN 27 2.677 -15.598 -3.763 192 1HB ASN 27 HB1 ASN 27 5.497 -15.214 -4.811 193 2HB ASN 27 HB2 ASN 27 4.181 -16.102 -5.580 194 1HD2 ASN 27 HD22 ASN 27 4.566 -12.234 -6.415 195 2HD2 ASN 27 HD21 ASN 27 5.798 -13.205 -5.768 196 H ALA 28 HN ALA 28 4.561 -17.680 -4.405 197 HA ALA 28 HA ALA 28 4.963 -18.737 -1.681 198 1HB ALA 28 HB2 ALA 28 5.109 -19.961 -4.439 199 2HB ALA 28 HB1 ALA 28 5.634 -20.837 -3.001 200 3HB ALA 28 HB3 ALA 28 3.956 -20.315 -3.151 201 H TRP 29 HN TRP 29 6.690 -16.596 -2.920 202 HA TRP 29 HA TRP 29 9.300 -18.029 -2.697 203 1HB TRP 29 HB1 TRP 29 8.737 -15.539 -4.275 204 2HB TRP 29 HB2 TRP 29 10.210 -16.484 -4.269 205 HD1 TRP 29 HD1 TRP 29 6.449 -17.391 -4.810 206 HE1 TRP 29 HE1 TRP 29 6.346 -18.935 -6.883 207 HE3 TRP 29 HE3 TRP 29 11.357 -17.553 -5.951 208 HZ2 TRP 29 HZ2 TRP 29 8.170 -20.096 -8.794 209 HZ3 TRP 29 HZ3 TRP 29 12.201 -18.876 -7.898 210 HH2 TRP 29 HH2 TRP 29 10.603 -20.149 -9.315 211 H CYS 30 HN CYS 30 7.324 -15.807 -1.100 212 HA CYS 30 HA CYS 30 9.278 -13.870 -0.286 213 1HB CYS 30 HB1 CYS 30 6.848 -14.659 1.309 214 2HB CYS 30 HB2 CYS 30 7.642 -13.095 1.220 215 H SER 31 HN SER 31 9.652 -17.025 0.259 216 HA SER 31 HA SER 31 9.736 -17.578 2.958 217 1HB SER 31 HB1 SER 31 11.048 -19.330 2.362 218 2HB SER 31 HB2 SER 31 10.815 -18.751 0.717 219 HG SER 31 HG SER 31 13.019 -18.492 2.390 220 H SER 32 HN SER 32 10.121 -15.820 4.279 221 HA SER 32 HA SER 32 11.284 -13.987 5.205 222 1HB SER 32 HB1 SER 32 13.673 -15.787 5.067 223 2HB SER 32 HB2 SER 32 13.179 -14.700 6.361 224 HG SER 32 HG SER 32 11.206 -16.201 6.332 225 H ARG 33 HN ARG 33 11.137 -12.936 3.082 226 HA ARG 33 HA ARG 33 13.865 -12.166 2.200 227 1HB ARG 33 HB1 ARG 33 13.065 -13.894 0.599 228 2HB ARG 33 HB2 ARG 33 11.662 -12.887 0.242 229 1HG ARG 33 HG1 ARG 33 13.085 -11.116 -0.610 230 2HG ARG 33 HG2 ARG 33 14.535 -11.971 -0.085 231 1HD ARG 33 HD1 ARG 33 13.565 -13.901 -1.609 232 2HD ARG 33 HD2 ARG 33 12.702 -12.572 -2.381 233 HE ARG 33 HE ARG 33 14.748 -12.189 -3.475 234 1HH1 ARG 33 HH11 ARG 33 16.287 -10.535 -2.098 235 2HH1 ARG 33 HH12 ARG 33 17.537 -11.437 -1.309 236 1HH2 ARG 33 HH21 ARG 33 15.911 -14.483 -1.634 237 2HH2 ARG 33 HH22 ARG 33 17.324 -13.672 -1.046 238 H GLY 34 HN GLY 34 10.725 -11.383 0.724 239 1HA GLY 34 HA1 GLY 34 10.198 -8.974 2.097 240 2HA GLY 34 HA2 GLY 34 11.260 -8.571 0.747 241 H LYS 35 HN LYS 35 8.115 -9.890 1.624 242 HA LYS 35 HA LYS 35 7.004 -10.578 -0.835 243 1HB LYS 35 HB1 LYS 35 5.567 -8.846 1.190 244 2HB LYS 35 HB2 LYS 35 4.861 -10.033 0.093 245 1HG LYS 35 HG1 LYS 35 5.197 -11.670 1.615 246 2HG LYS 35 HG2 LYS 35 6.916 -11.297 1.671 247 1HD LYS 35 HD1 LYS 35 6.174 -9.296 3.180 248 2HD LYS 35 HD2 LYS 35 4.686 -10.221 3.384 249 1HE LYS 35 HE1 LYS 35 7.024 -11.921 3.678 250 2HE LYS 35 HE2 LYS 35 7.085 -10.565 4.804 251 1HZ LYS 35 HZ1 LYS 35 4.469 -11.488 4.790 252 2HZ LYS 35 HZ2 LYS 35 5.457 -12.865 4.898 253 3HZ LYS 35 HZ3 LYS 35 5.605 -11.619 6.043 254 H VAL 36 HN VAL 36 5.370 -9.134 -2.092 255 HA VAL 36 HA VAL 36 6.791 -6.618 -2.812 256 HB VAL 36 HB VAL 36 4.417 -7.442 -4.379 257 1HG1 VAL 36 HG13 VAL 36 6.228 -5.639 -4.857 258 2HG1 VAL 36 HG12 VAL 36 7.232 -6.998 -5.359 259 3HG1 VAL 36 HG11 VAL 36 5.710 -6.673 -6.188 260 1HG2 VAL 36 HG21 VAL 36 6.745 -9.264 -3.914 261 2HG2 VAL 36 HG23 VAL 36 5.057 -9.662 -4.233 262 3HG2 VAL 36 HG22 VAL 36 6.105 -9.144 -5.553 263 H LEU 37 HN LEU 37 5.864 -5.804 -0.661 264 HA LEU 37 HA LEU 37 3.005 -5.045 -0.894 265 1HB LEU 37 HB1 LEU 37 4.951 -5.324 1.389 266 2HB LEU 37 HB2 LEU 37 3.408 -4.510 1.581 267 HG LEU 37 HG LEU 37 2.221 -6.468 1.482 268 1HD1 LEU 37 HD13 LEU 37 2.931 -6.876 -0.915 269 2HD1 LEU 37 HD12 LEU 37 4.319 -7.758 -0.286 270 3HD1 LEU 37 HD11 LEU 37 2.686 -8.343 0.027 271 1HD2 LEU 37 HD22 LEU 37 4.957 -7.036 2.424 272 2HD2 LEU 37 HD21 LEU 37 3.410 -7.268 3.239 273 3HD2 LEU 37 HD23 LEU 37 3.969 -8.451 2.058 274 H GLU 38 HN GLU 38 2.920 -3.101 -1.976 275 HA GLU 38 HA GLU 38 4.617 -0.893 -0.887 276 1HB GLU 38 HB1 GLU 38 4.814 0.047 -3.113 277 2HB GLU 38 HB2 GLU 38 5.341 -1.635 -3.178 278 1HG GLU 38 HG1 GLU 38 2.627 -1.836 -3.650 279 2HG GLU 38 HG2 GLU 38 3.047 -0.334 -4.474 280 H PHE 39 HN PHE 39 3.603 1.203 -0.920 281 HA PHE 39 HA PHE 39 0.645 1.083 -1.142 282 1HB PHE 39 HB1 PHE 39 2.156 3.010 0.617 283 2HB PHE 39 HB2 PHE 39 0.460 2.534 0.725 284 HD1 PHE 39 HD1 PHE 39 0.953 -0.466 0.227 285 HD2 PHE 39 HD2 PHE 39 2.805 2.370 2.871 286 HE1 PHE 39 HE1 PHE 39 1.573 -2.309 1.765 287 HE2 PHE 39 HE2 PHE 39 3.424 0.524 4.413 288 HZ PHE 39 HZ PHE 39 2.809 -1.818 3.857 289 H GLY 40 HN GLY 40 -0.363 2.772 -2.302 290 1HA GLY 40 HA1 GLY 40 1.478 4.833 -3.446 291 2HA GLY 40 HA2 GLY 40 0.349 3.959 -4.481 292 H CYS 41 HN CYS 41 -0.860 5.806 -5.074 293 HA CYS 41 HA CYS 41 -2.106 7.406 -2.921 294 1HB CYS 41 HB1 CYS 41 -1.024 8.340 -5.098 295 2HB CYS 41 HB2 CYS 41 -2.507 7.831 -5.874 296 H ALA 42 HN ALA 42 -4.460 7.984 -3.565 297 HA ALA 42 HA ALA 42 -6.105 6.159 -4.999 298 1HB ALA 42 HB3 ALA 42 -5.148 5.097 -2.557 299 2HB ALA 42 HB2 ALA 42 -6.841 5.513 -2.290 300 3HB ALA 42 HB1 ALA 42 -6.398 4.422 -3.603 301 H ALA 43 HN ALA 43 -8.448 6.240 -3.910 302 HA ALA 43 HA ALA 43 -8.930 9.099 -3.255 303 1HB ALA 43 HB3 ALA 43 -10.590 7.054 -4.731 304 2HB ALA 43 HB2 ALA 43 -11.265 8.577 -4.151 305 3HB ALA 43 HB1 ALA 43 -9.963 8.585 -5.341 306 H THR 44 HN THR 44 -10.033 5.773 -2.520 307 HA THR 44 HA THR 44 -10.676 6.699 0.215 308 HB THR 44 HB THR 44 -12.809 7.021 -0.800 309 HG1 THR 44 HG1 THR 44 -13.959 5.644 0.396 310 1HG2 THR 44 HG23 THR 44 -11.878 5.091 -2.631 311 2HG2 THR 44 HG22 THR 44 -13.324 4.398 -1.897 312 3HG2 THR 44 HG21 THR 44 -13.406 5.968 -2.695 313 H CYS 45 HN CYS 45 -10.888 4.929 1.719 314 HA CYS 45 HA CYS 45 -9.060 2.980 1.718 315 1HB CYS 45 HB1 CYS 45 -10.619 3.519 3.576 316 2HB CYS 45 HB2 CYS 45 -11.859 2.576 2.753 317 HA PRO 46 HA PRO 46 -10.595 0.421 -1.691 318 1HB PRO 46 HB1 PRO 46 -8.191 -0.873 -2.082 319 2HB PRO 46 HB2 PRO 46 -8.615 0.686 -2.809 320 1HG PRO 46 HG1 PRO 46 -6.740 0.091 -0.578 321 2HG PRO 46 HG2 PRO 46 -6.789 1.488 -1.659 322 1HD PRO 46 HD1 PRO 46 -7.731 1.367 1.031 323 2HD PRO 46 HD2 PRO 46 -7.954 2.702 -0.118 324 H SER 47 HN SER 47 -10.098 -2.157 -2.050 325 HA SER 47 HA SER 47 -10.251 -3.457 0.640 326 1HB SER 47 HB1 SER 47 -11.877 -4.417 -1.708 327 2HB SER 47 HB2 SER 47 -12.128 -4.731 0.007 328 HG SER 47 HG SER 47 -13.459 -3.038 -1.162 329 H VAL 48 HN VAL 48 -10.744 -6.064 -0.814 330 HA VAL 48 HA VAL 48 -7.898 -6.557 -1.476 331 HB VAL 48 HB VAL 48 -10.154 -8.344 -0.690 332 1HG1 VAL 48 HG11 VAL 48 -7.800 -8.966 -2.301 333 2HG1 VAL 48 HG13 VAL 48 -7.881 -9.929 -0.826 334 3HG1 VAL 48 HG12 VAL 48 -9.220 -9.958 -1.974 335 1HG2 VAL 48 HG23 VAL 48 -8.000 -7.038 0.660 336 2HG2 VAL 48 HG22 VAL 48 -9.232 -8.097 1.346 337 3HG2 VAL 48 HG21 VAL 48 -7.726 -8.779 0.730 338 H ASN 49 HN ASN 49 -7.611 -6.088 -3.629 339 HA ASN 49 HA ASN 49 -9.619 -6.776 -5.598 340 1HB ASN 49 HB1 ASN 49 -8.280 -4.749 -5.880 341 2HB ASN 49 HB2 ASN 49 -6.802 -5.713 -5.902 342 1HD2 ASN 49 HD22 ASN 49 -9.140 -6.771 -9.058 343 2HD2 ASN 49 HD21 ASN 49 -9.667 -7.011 -7.463 344 H THR 50 HN THR 50 -6.446 -7.396 -6.739 345 HA THR 50 HA THR 50 -7.109 -10.121 -7.417 346 HB THR 50 HB THR 50 -5.583 -8.757 -8.792 347 HG1 THR 50 HG1 THR 50 -5.393 -11.107 -8.601 348 1HG2 THR 50 HG22 THR 50 -4.510 -7.978 -6.384 349 2HG2 THR 50 HG21 THR 50 -3.286 -9.097 -6.986 350 3HG2 THR 50 HG23 THR 50 -3.760 -7.700 -7.955 351 H GLY 51 HN GLY 51 -7.577 -11.048 -5.293 352 1HA GLY 51 HA1 GLY 51 -6.994 -12.036 -3.222 353 2HA GLY 51 HA2 GLY 51 -5.699 -12.720 -4.204 354 H THR 52 HN THR 52 -5.930 -9.266 -3.642 355 HA THR 52 HA THR 52 -3.458 -9.469 -1.972 356 HB THR 52 HB THR 52 -4.469 -7.307 -3.836 357 HG1 THR 52 HG1 THR 52 -3.189 -8.487 -5.018 358 1HG2 THR 52 HG22 THR 52 -2.607 -7.155 -1.517 359 2HG2 THR 52 HG21 THR 52 -2.117 -6.319 -2.990 360 3HG2 THR 52 HG23 THR 52 -3.643 -5.908 -2.210 361 H GLU 53 HN GLU 53 -3.380 -8.244 -0.023 362 HA GLU 53 HA GLU 53 -6.062 -7.449 0.964 363 1HB GLU 53 HB1 GLU 53 -5.059 -7.571 3.202 364 2HB GLU 53 HB2 GLU 53 -4.761 -9.067 2.316 365 1HG GLU 53 HG1 GLU 53 -2.562 -8.772 2.706 366 2HG GLU 53 HG2 GLU 53 -2.622 -7.354 1.658 367 H ILE 54 HN ILE 54 -6.494 -5.311 0.614 368 HA ILE 54 HA ILE 54 -4.226 -3.399 0.786 369 HB ILE 54 HB ILE 54 -6.060 -3.548 -1.162 370 1HG1 ILE 54 HG11 ILE 54 -5.183 -0.862 -0.103 371 2HG1 ILE 54 HG12 ILE 54 -4.059 -1.990 -0.860 372 1HG2 ILE 54 HG21 ILE 54 -7.793 -2.961 0.761 373 2HG2 ILE 54 HG22 ILE 54 -7.264 -1.325 0.392 374 3HG2 ILE 54 HG23 ILE 54 -7.974 -2.312 -0.871 375 1HD1 ILE 54 HD12 ILE 54 -6.522 -1.611 -2.409 376 2HD1 ILE 54 HD13 ILE 54 -5.599 -0.122 -2.204 377 3HD1 ILE 54 HD11 ILE 54 -4.844 -1.533 -2.938 378 H LYS 55 HN LYS 55 -4.917 -1.203 1.758 379 HA LYS 55 HA LYS 55 -6.875 -1.430 3.938 380 1HB LYS 55 HB1 LYS 55 -5.351 -2.012 5.497 381 2HB LYS 55 HB2 LYS 55 -4.043 -1.880 4.335 382 1HG LYS 55 HG1 LYS 55 -3.367 -0.296 5.866 383 2HG LYS 55 HG2 LYS 55 -4.328 0.731 4.814 384 1HD LYS 55 HD1 LYS 55 -5.455 1.294 6.703 385 2HD LYS 55 HD2 LYS 55 -6.213 -0.294 6.565 386 1HE LYS 55 HE1 LYS 55 -5.085 -1.087 8.361 387 2HE LYS 55 HE2 LYS 55 -3.557 -0.419 7.788 388 1HZ LYS 55 HZ3 LYS 55 -4.946 1.783 8.500 389 2HZ LYS 55 HZ1 LYS 55 -5.439 0.663 9.674 390 3HZ LYS 55 HZ2 LYS 55 -3.787 1.004 9.469 391 H CYS 56 HN CYS 56 -6.904 0.779 5.141 392 HA CYS 56 HA CYS 56 -6.660 2.889 3.056 393 1HB CYS 56 HB1 CYS 56 -7.899 3.879 5.457 394 2HB CYS 56 HB2 CYS 56 -8.611 3.693 3.860 395 H CYS 57 HN CYS 57 -4.735 3.889 3.149 396 HA CYS 57 HA CYS 57 -3.626 4.547 5.848 397 1HB CYS 57 HB1 CYS 57 -2.307 2.837 4.661 398 2HB CYS 57 HB2 CYS 57 -2.145 3.917 3.280 399 H SER 58 HN SER 58 -2.690 6.606 6.085 400 HA SER 58 HA SER 58 -2.854 8.411 3.753 401 1HB SER 58 HB1 SER 58 -4.943 8.568 5.240 402 2HB SER 58 HB2 SER 58 -3.881 9.290 6.445 403 HG SER 58 HG SER 58 -3.232 10.629 4.441 404 H ALA 59 HN ALA 59 -1.121 7.256 6.342 405 HA ALA 59 HA ALA 59 1.014 9.163 5.844 406 1HB ALA 59 HB2 ALA 59 -0.411 9.242 8.519 407 2HB ALA 59 HB1 ALA 59 1.122 10.041 8.173 408 3HB ALA 59 HB3 ALA 59 -0.346 10.546 7.334 409 H ASP 60 HN ASP 60 1.162 8.192 9.054 410 HA ASP 60 HA ASP 60 2.863 5.875 8.319 411 1HB ASP 60 HB1 ASP 60 3.809 7.659 9.827 412 2HB ASP 60 HB2 ASP 60 2.558 7.263 11.006 413 H LYS 61 HN LYS 61 0.002 5.844 8.162 414 HA LYS 61 HA LYS 61 -0.732 4.047 10.397 415 1HB LYS 61 HB1 LYS 61 -2.299 5.838 10.258 416 2HB LYS 61 HB2 LYS 61 -2.384 5.713 8.501 417 1HG LYS 61 HG1 LYS 61 -3.674 3.760 8.579 418 2HG LYS 61 HG2 LYS 61 -3.150 3.363 10.216 419 1HD LYS 61 HD1 LYS 61 -4.351 5.728 10.703 420 2HD LYS 61 HD2 LYS 61 -5.290 5.219 9.299 421 1HE LYS 61 HE1 LYS 61 -5.806 3.085 10.402 422 2HE LYS 61 HE2 LYS 61 -4.824 3.550 11.791 423 1HZ LYS 61 HZ1 LYS 61 -7.143 5.128 10.836 424 2HZ LYS 61 HZ2 LYS 61 -7.261 3.937 12.041 425 3HZ LYS 61 HZ3 LYS 61 -6.297 5.314 12.293 426 H CYS 62 HN CYS 62 0.447 3.918 7.341 427 HA CYS 62 HA CYS 62 -1.151 2.120 5.904 428 1HB CYS 62 HB1 CYS 62 1.863 2.316 6.117 429 2HB CYS 62 HB2 CYS 62 1.049 1.268 4.959 430 H ASN 63 HN ASN 63 1.341 1.352 8.347 431 HA ASN 63 HA ASN 63 0.139 -1.369 8.537 432 1HB ASN 63 HB1 ASN 63 2.391 -2.018 9.502 433 2HB ASN 63 HB2 ASN 63 2.422 -1.559 7.800 434 1HD2 ASN 63 HD22 ASN 63 4.372 0.724 10.558 435 2HD2 ASN 63 HD21 ASN 63 3.427 -0.602 11.042 436 H THR 64 HN THR 64 -1.410 -0.752 10.141 437 HA THR 64 HA THR 64 -0.266 -0.552 12.852 438 HB THR 64 HB THR 64 -2.346 1.386 12.779 439 HG1 THR 64 HG1 THR 64 -1.674 1.469 10.515 440 1HG2 THR 64 HG21 THR 64 0.475 1.062 13.535 441 2HG2 THR 64 HG23 THR 64 0.022 2.721 13.141 442 3HG2 THR 64 HG22 THR 64 -0.842 1.848 14.407 443 H TYR 65 HN TYR 65 -1.803 -1.158 14.476 444 HA TYR 65 HA TYR 65 -3.447 -2.710 15.170 445 1HB TYR 65 HB1 TYR 65 -4.655 -0.735 15.526 446 2HB TYR 65 HB2 TYR 65 -4.781 -0.395 13.806 447 HD1 TYR 65 HD1 TYR 65 -5.398 -3.712 15.342 448 HD2 TYR 65 HD2 TYR 65 -7.188 -0.172 13.689 449 HE1 TYR 65 HE1 TYR 65 -7.603 -4.850 15.290 450 HE2 TYR 65 HE2 TYR 65 -9.393 -1.310 13.637 451 HH TYR 65 HH TYR 65 -10.413 -3.407 15.123 452 HA PRO 66 HA PRO 66 -3.831 -4.872 11.114 453 1HB PRO 66 HB1 PRO 66 -2.548 -7.155 11.964 454 2HB PRO 66 HB2 PRO 66 -1.716 -5.772 11.233 455 1HG PRO 66 HG1 PRO 66 -1.824 -6.635 14.097 456 2HG PRO 66 HG2 PRO 66 -0.561 -5.727 13.248 457 1HD PRO 66 HD1 PRO 66 -2.539 -4.644 14.974 458 2HD PRO 66 HD2 PRO 66 -1.485 -3.720 13.883 No H/Q in entry = 458 Start of MODEL 11 1 1H ARG 1 HT1 ARG 1 1.330 14.659 -1.643 2 2H ARG 1 HT2 ARG 1 2.553 14.999 -2.770 3 3H ARG 1 HT3 ARG 1 1.492 13.699 -3.031 4 HA ARG 1 HA ARG 1 3.116 12.455 -2.170 5 1HB ARG 1 HB1 ARG 1 4.137 15.114 -1.539 6 2HB ARG 1 HB2 ARG 1 4.562 13.924 -0.307 7 1HG ARG 1 HG1 ARG 1 5.797 12.634 -1.795 8 2HG ARG 1 HG2 ARG 1 4.880 13.187 -3.197 9 1HD ARG 1 HD1 ARG 1 5.958 15.536 -2.371 10 2HD ARG 1 HD2 ARG 1 7.220 14.420 -1.851 11 HE ARG 1 HE ARG 1 6.655 13.658 -4.467 12 1HH1 ARG 1 HH11 ARG 1 7.863 16.364 -2.714 13 2HH1 ARG 1 HH12 ARG 1 8.598 17.103 -4.096 14 1HH2 ARG 1 HH21 ARG 1 7.479 14.689 -6.319 15 2HH2 ARG 1 HH22 ARG 1 8.381 16.157 -6.135 16 H GLU 2 HN GLU 2 1.594 11.245 -0.965 17 HA GLU 2 HA GLU 2 1.481 11.943 1.920 18 1HB GLU 2 HB1 GLU 2 -0.663 12.499 0.547 19 2HB GLU 2 HB2 GLU 2 -0.902 10.752 0.512 20 1HG GLU 2 HG1 GLU 2 -1.824 10.914 2.563 21 2HG GLU 2 HG2 GLU 2 -0.236 11.372 3.178 22 H CYS 3 HN CYS 3 3.317 10.161 1.075 23 HA CYS 3 HA CYS 3 2.332 7.660 2.241 24 1HB CYS 3 HB1 CYS 3 3.673 7.610 -0.474 25 2HB CYS 3 HB2 CYS 3 3.011 6.240 0.415 26 H TYR 4 HN TYR 4 5.143 8.850 0.415 27 HA TYR 4 HA TYR 4 7.455 8.170 0.939 28 1HB TYR 4 HB1 TYR 4 7.922 9.986 2.880 29 2HB TYR 4 HB2 TYR 4 7.712 10.421 1.186 30 HD1 TYR 4 HD2 TYR 4 5.354 9.442 3.952 31 HD2 TYR 4 HD1 TYR 4 6.386 12.354 0.967 32 HE1 TYR 4 HE2 TYR 4 3.354 10.774 4.564 33 HE2 TYR 4 HE1 TYR 4 4.386 13.690 1.580 34 HH TYR 4 HH TYR 4 1.974 12.461 3.824 35 H LEU 5 HN LEU 5 6.325 6.074 2.212 36 HA LEU 5 HA LEU 5 7.658 6.123 4.782 37 1HB LEU 5 HB1 LEU 5 4.774 5.673 4.315 38 2HB LEU 5 HB2 LEU 5 5.555 4.995 5.728 39 HG LEU 5 HG LEU 5 5.771 7.920 4.943 40 1HD1 LEU 5 HD13 LEU 5 3.819 6.592 6.857 41 2HD1 LEU 5 HD12 LEU 5 4.062 8.332 6.714 42 3HD1 LEU 5 HD11 LEU 5 3.410 7.419 5.353 43 1HD2 LEU 5 HD23 LEU 5 7.036 6.267 6.897 44 2HD2 LEU 5 HD21 LEU 5 7.203 8.008 6.681 45 3HD2 LEU 5 HD22 LEU 5 5.960 7.369 7.756 46 H ASN 6 HN ASN 6 5.315 3.847 3.508 47 HA ASN 6 HA ASN 6 6.005 1.420 4.067 48 1HB ASN 6 HB1 ASN 6 4.649 2.175 2.018 49 2HB ASN 6 HB2 ASN 6 6.160 2.021 1.119 50 1HD2 ASN 6 HD22 ASN 6 5.496 -1.393 0.673 51 2HD2 ASN 6 HD21 ASN 6 5.947 0.088 -0.017 52 HA PRO 7 HA PRO 7 10.405 0.999 3.696 53 1HB PRO 7 HB1 PRO 7 10.493 -1.661 4.417 54 2HB PRO 7 HB2 PRO 7 10.354 -0.325 5.572 55 1HG PRO 7 HG1 PRO 7 8.259 -2.237 4.608 56 2HG PRO 7 HG2 PRO 7 8.382 -1.404 6.167 57 1HD PRO 7 HD1 PRO 7 6.694 -0.665 4.031 58 2HD PRO 7 HD2 PRO 7 7.125 0.373 5.405 59 H HIS 8 HN HIS 8 8.033 -0.362 1.742 60 HA HIS 8 HA HIS 8 10.005 -1.838 0.073 61 1HB HIS 8 HB1 HIS 8 7.026 -1.651 -0.369 62 2HB HIS 8 HB2 HIS 8 8.137 -2.838 -1.043 63 HD1 HIS 8 HD1 HIS 8 5.544 -3.201 0.987 64 HD2 HIS 8 HD2 HIS 8 9.586 -3.730 1.842 65 HE1 HIS 8 HE1 HIS 8 5.644 -4.818 2.922 66 H ASP 9 HN ASP 9 10.273 0.930 0.166 67 HA ASP 9 HA ASP 9 10.772 2.569 -1.467 68 1HB ASP 9 HB1 ASP 9 8.926 1.178 -3.402 69 2HB ASP 9 HB2 ASP 9 10.305 2.222 -3.750 70 H THR 10 HN THR 10 7.388 1.432 -1.197 71 HA THR 10 HA THR 10 5.425 2.695 -0.879 72 HB THR 10 HB THR 10 6.929 5.243 -0.504 73 HG1 THR 10 HG1 THR 10 7.883 4.587 1.344 74 1HG2 THR 10 HG23 THR 10 4.404 4.279 0.150 75 2HG2 THR 10 HG22 THR 10 5.272 4.222 1.684 76 3HG2 THR 10 HG21 THR 10 5.145 5.742 0.797 77 H GLN 11 HN GLN 11 4.534 5.033 -1.756 78 HA GLN 11 HA GLN 11 5.747 5.879 -4.237 79 1HB GLN 11 HB1 GLN 11 4.762 3.921 -5.176 80 2HB GLN 11 HB2 GLN 11 3.267 4.160 -4.275 81 1HG GLN 11 HG1 GLN 11 2.436 5.437 -5.935 82 2HG GLN 11 HG2 GLN 11 3.828 6.516 -5.835 83 1HE2 GLN 11 HE22 GLN 11 5.644 4.720 -8.418 84 2HE2 GLN 11 HE21 GLN 11 5.901 5.530 -6.948 85 H THR 12 HN THR 12 5.562 7.831 -2.942 86 HA THR 12 HA THR 12 3.403 9.007 -1.781 87 HB THR 12 HB THR 12 4.386 11.128 -2.231 88 HG1 THR 12 HG1 THR 12 4.951 11.545 -4.189 89 1HG2 THR 12 HG21 THR 12 5.911 8.943 -1.417 90 2HG2 THR 12 HG23 THR 12 6.924 9.751 -2.615 91 3HG2 THR 12 HG22 THR 12 6.336 10.642 -1.210 92 H CYS 13 HN CYS 13 1.916 10.722 -2.621 93 HA CYS 13 HA CYS 13 0.899 10.070 -5.354 94 1HB CYS 13 HB1 CYS 13 -0.670 9.233 -3.675 95 2HB CYS 13 HB2 CYS 13 -0.640 10.780 -2.837 96 HA PRO 14 HA PRO 14 1.843 14.592 -5.022 97 1HB PRO 14 HB1 PRO 14 3.505 14.673 -7.214 98 2HB PRO 14 HB2 PRO 14 4.067 14.353 -5.566 99 1HG PRO 14 HG1 PRO 14 3.718 12.463 -7.856 100 2HG PRO 14 HG2 PRO 14 4.815 12.351 -6.471 101 1HD PRO 14 HD1 PRO 14 2.351 10.963 -6.799 102 2HD PRO 14 HD2 PRO 14 3.308 11.070 -5.307 103 H SER 15 HN SER 15 -0.445 13.186 -6.321 104 HA SER 15 HA SER 15 -0.652 14.787 -8.837 105 1HB SER 15 HB1 SER 15 -0.836 12.191 -8.875 106 2HB SER 15 HB2 SER 15 -2.427 12.449 -8.167 107 HG SER 15 HG SER 15 -1.464 13.518 -10.603 108 H GLY 16 HN GLY 16 -3.445 14.614 -9.113 109 1HA GLY 16 HA1 GLY 16 -4.304 16.756 -7.400 110 2HA GLY 16 HA2 GLY 16 -5.351 15.831 -8.478 111 H GLN 17 HN GLN 17 -4.629 13.255 -7.227 112 HA GLN 17 HA GLN 17 -6.627 13.243 -5.141 113 1HB GLN 17 HB1 GLN 17 -4.557 11.101 -5.663 114 2HB GLN 17 HB2 GLN 17 -6.151 10.901 -4.936 115 1HG GLN 17 HG1 GLN 17 -6.283 12.173 -7.565 116 2HG GLN 17 HG2 GLN 17 -5.529 10.580 -7.634 117 1HE2 GLN 17 HE22 GLN 17 -9.339 10.352 -7.764 118 2HE2 GLN 17 HE21 GLN 17 -8.246 11.327 -8.622 119 H GLU 18 HN GLU 18 -6.039 12.275 -2.898 120 HA GLU 18 HA GLU 18 -3.358 13.169 -1.979 121 1HB GLU 18 HB1 GLU 18 -4.381 14.396 -0.080 122 2HB GLU 18 HB2 GLU 18 -4.830 15.101 -1.633 123 1HG GLU 18 HG1 GLU 18 -6.986 14.875 -1.004 124 2HG GLU 18 HG2 GLU 18 -6.768 13.129 -1.148 125 H ILE 19 HN ILE 19 -5.142 10.592 -2.227 126 HA ILE 19 HA ILE 19 -4.888 9.756 0.631 127 HB ILE 19 HB ILE 19 -6.367 8.293 -1.545 128 1HG1 ILE 19 HG11 ILE 19 -6.970 10.877 -0.582 129 2HG1 ILE 19 HG12 ILE 19 -8.027 9.830 -1.515 130 1HG2 ILE 19 HG21 ILE 19 -6.392 8.243 1.479 131 2HG2 ILE 19 HG22 ILE 19 -7.645 7.472 0.502 132 3HG2 ILE 19 HG23 ILE 19 -5.970 6.932 0.377 133 1HD1 ILE 19 HD13 ILE 19 -7.813 9.835 1.512 134 2HD1 ILE 19 HD11 ILE 19 -9.103 10.601 0.586 135 3HD1 ILE 19 HD12 ILE 19 -8.916 8.847 0.556 136 H CYS 20 HN CYS 20 -4.093 7.595 0.980 137 HA CYS 20 HA CYS 20 -2.243 6.655 -1.173 138 1HB CYS 20 HB1 CYS 20 -1.183 7.911 0.854 139 2HB CYS 20 HB2 CYS 20 -1.553 6.442 1.755 140 H TYR 21 HN TYR 21 -2.558 4.516 -1.649 141 HA TYR 21 HA TYR 21 -4.232 2.963 0.260 142 1HB TYR 21 HB1 TYR 21 -4.891 1.596 -1.544 143 2HB TYR 21 HB2 TYR 21 -4.801 3.199 -2.272 144 HD1 TYR 21 HD2 TYR 21 -2.861 0.049 -1.748 145 HD2 TYR 21 HD1 TYR 21 -3.329 3.637 -4.068 146 HE1 TYR 21 HE2 TYR 21 -1.162 -0.770 -3.361 147 HE2 TYR 21 HE1 TYR 21 -1.632 2.815 -5.679 148 HH TYR 21 HH TYR 21 -0.398 1.059 -6.308 149 H VAL 22 HN VAL 22 -3.529 0.801 0.831 150 HA VAL 22 HA VAL 22 -0.587 0.433 0.471 151 HB VAL 22 HB VAL 22 -0.437 -0.415 2.730 152 1HG1 VAL 22 HG12 VAL 22 -2.086 2.123 2.533 153 2HG1 VAL 22 HG11 VAL 22 -1.308 1.586 4.023 154 3HG1 VAL 22 HG13 VAL 22 -0.329 2.003 2.616 155 1HG2 VAL 22 HG22 VAL 22 -3.382 -0.543 2.431 156 2HG2 VAL 22 HG21 VAL 22 -2.293 -1.603 3.326 157 3HG2 VAL 22 HG23 VAL 22 -2.793 -0.061 4.022 158 H LYS 23 HN LYS 23 -0.588 -1.122 -1.123 159 HA LYS 23 HA LYS 23 -2.402 -3.454 -0.801 160 1HB LYS 23 HB1 LYS 23 -2.210 -2.245 -3.019 161 2HB LYS 23 HB2 LYS 23 -0.553 -2.842 -3.118 162 1HG LYS 23 HG1 LYS 23 -1.494 -5.177 -2.812 163 2HG LYS 23 HG2 LYS 23 -3.101 -4.475 -2.990 164 1HD LYS 23 HD1 LYS 23 -2.706 -3.847 -5.229 165 2HD LYS 23 HD2 LYS 23 -0.955 -3.974 -5.051 166 1HE LYS 23 HE1 LYS 23 -1.423 -6.491 -4.565 167 2HE LYS 23 HE2 LYS 23 -2.995 -6.181 -5.302 168 1HZ LYS 23 HZ1 LYS 23 -0.392 -5.559 -6.585 169 2HZ LYS 23 HZ2 LYS 23 -1.302 -6.960 -6.893 170 3HZ LYS 23 HZ3 LYS 23 -1.928 -5.432 -7.292 171 H SER 24 HN SER 24 -1.593 -5.262 0.138 172 HA SER 24 HA SER 24 1.335 -5.755 -0.110 173 1HB SER 24 HB1 SER 24 -0.355 -5.624 2.372 174 2HB SER 24 HB2 SER 24 1.070 -6.658 2.331 175 HG SER 24 HG SER 24 0.887 -3.905 2.323 176 H TRP 25 HN TRP 25 1.521 -7.659 -1.173 177 HA TRP 25 HA TRP 25 -0.170 -9.931 -0.222 178 1HB TRP 25 HB1 TRP 25 -0.374 -10.727 -2.566 179 2HB TRP 25 HB2 TRP 25 -1.155 -9.166 -2.321 180 HD1 TRP 25 HD1 TRP 25 1.436 -10.828 -4.405 181 HE1 TRP 25 HE1 TRP 25 2.580 -9.057 -5.902 182 HE3 TRP 25 HE3 TRP 25 -0.269 -6.650 -2.153 183 HZ2 TRP 25 HZ2 TRP 25 2.742 -6.176 -6.073 184 HZ3 TRP 25 HZ3 TRP 25 0.378 -4.443 -2.930 185 HH2 TRP 25 HH2 TRP 25 1.880 -4.155 -4.897 186 H CYS 26 HN CYS 26 0.902 -11.894 -0.129 187 HA CYS 26 HA CYS 26 3.764 -11.942 -1.021 188 1HB CYS 26 HB1 CYS 26 3.838 -11.572 1.347 189 2HB CYS 26 HB2 CYS 26 2.553 -12.738 1.644 190 H ASN 27 HN ASN 27 4.535 -14.315 -1.186 191 HA ASN 27 HA ASN 27 2.300 -15.956 -2.287 192 1HB ASN 27 HB1 ASN 27 5.107 -15.517 -2.960 193 2HB ASN 27 HB2 ASN 27 4.679 -17.226 -2.906 194 1HD2 ASN 27 HD22 ASN 27 3.565 -15.090 -6.089 195 2HD2 ASN 27 HD21 ASN 27 4.761 -14.604 -4.986 196 H ALA 28 HN ALA 28 3.195 -15.695 0.596 197 HA ALA 28 HA ALA 28 3.113 -17.155 2.422 198 1HB ALA 28 HB2 ALA 28 2.202 -18.764 0.260 199 2HB ALA 28 HB1 ALA 28 3.336 -19.725 1.209 200 3HB ALA 28 HB3 ALA 28 1.925 -19.006 1.984 201 H TRP 29 HN TRP 29 5.533 -16.943 0.189 202 HA TRP 29 HA TRP 29 7.447 -18.196 2.082 203 1HB TRP 29 HB1 TRP 29 7.401 -18.618 -0.896 204 2HB TRP 29 HB2 TRP 29 8.667 -19.152 0.176 205 HD1 TRP 29 HD1 TRP 29 4.787 -19.532 0.069 206 HE1 TRP 29 HE1 TRP 29 4.258 -21.972 0.749 207 HE3 TRP 29 HE3 TRP 29 9.478 -21.183 0.899 208 HZ2 TRP 29 HZ2 TRP 29 5.697 -24.342 1.552 209 HZ3 TRP 29 HZ3 TRP 29 9.924 -23.533 1.625 210 HH2 TRP 29 HH2 TRP 29 8.030 -25.109 1.949 211 H CYS 30 HN CYS 30 6.617 -15.361 1.077 212 HA CYS 30 HA CYS 30 8.964 -14.341 -0.288 213 1HB CYS 30 HB1 CYS 30 7.977 -12.130 0.212 214 2HB CYS 30 HB2 CYS 30 6.820 -13.233 -0.530 215 H SER 31 HN SER 31 9.554 -15.711 2.312 216 HA SER 31 HA SER 31 10.062 -14.004 4.453 217 1HB SER 31 HB1 SER 31 10.628 -16.273 4.794 218 2HB SER 31 HB2 SER 31 11.632 -16.331 3.349 219 HG SER 31 HG SER 31 12.888 -16.172 5.250 220 H SER 32 HN SER 32 10.564 -11.907 3.666 221 HA SER 32 HA SER 32 11.864 -10.235 2.613 222 1HB SER 32 HB1 SER 32 14.230 -11.566 3.849 223 2HB SER 32 HB2 SER 32 13.796 -9.859 3.818 224 HG SER 32 HG SER 32 12.130 -10.295 5.284 225 H ARG 33 HN ARG 33 11.481 -11.371 0.573 226 HA ARG 33 HA ARG 33 14.080 -11.925 -0.738 227 1HB ARG 33 HB1 ARG 33 12.730 -14.085 0.018 228 2HB ARG 33 HB2 ARG 33 11.808 -13.742 -1.446 229 1HG ARG 33 HG1 ARG 33 14.266 -13.463 -2.466 230 2HG ARG 33 HG2 ARG 33 14.670 -14.556 -1.142 231 1HD ARG 33 HD1 ARG 33 13.360 -16.283 -1.996 232 2HD ARG 33 HD2 ARG 33 12.309 -15.183 -2.887 233 HE ARG 33 HE ARG 33 14.512 -16.473 -4.037 234 1HH1 ARG 33 HH11 ARG 33 12.509 -14.008 -4.772 235 2HH1 ARG 33 HH12 ARG 33 13.656 -13.038 -5.634 236 1HH2 ARG 33 HH21 ARG 33 16.399 -14.897 -4.614 237 2HH2 ARG 33 HH22 ARG 33 15.856 -13.541 -5.546 238 H GLY 34 HN GLY 34 10.663 -12.289 -1.733 239 1HA GLY 34 HA1 GLY 34 11.142 -10.098 -3.708 240 2HA GLY 34 HA2 GLY 34 10.325 -11.590 -4.173 241 H LYS 35 HN LYS 35 9.732 -10.249 -1.001 242 HA LYS 35 HA LYS 35 6.949 -10.222 -1.137 243 1HB LYS 35 HB1 LYS 35 8.730 -8.192 0.264 244 2HB LYS 35 HB2 LYS 35 7.011 -8.415 0.586 245 1HG LYS 35 HG1 LYS 35 7.358 -10.606 1.446 246 2HG LYS 35 HG2 LYS 35 8.992 -10.690 0.790 247 1HD LYS 35 HD1 LYS 35 9.881 -9.483 2.517 248 2HD LYS 35 HD2 LYS 35 8.465 -8.439 2.648 249 1HE LYS 35 HE1 LYS 35 7.746 -11.141 3.357 250 2HE LYS 35 HE2 LYS 35 9.144 -10.634 4.304 251 1HZ LYS 35 HZ3 LYS 35 7.414 -8.474 4.223 252 2HZ LYS 35 HZ1 LYS 35 6.449 -9.829 4.556 253 3HZ LYS 35 HZ2 LYS 35 7.770 -9.462 5.558 254 H VAL 36 HN VAL 36 5.590 -9.181 -2.516 255 HA VAL 36 HA VAL 36 6.595 -6.734 -3.893 256 HB VAL 36 HB VAL 36 4.016 -7.827 -4.783 257 1HG1 VAL 36 HG11 VAL 36 6.200 -6.361 -5.801 258 2HG1 VAL 36 HG13 VAL 36 6.170 -7.874 -6.706 259 3HG1 VAL 36 HG12 VAL 36 4.741 -6.841 -6.669 260 1HG2 VAL 36 HG21 VAL 36 6.519 -9.535 -4.922 261 2HG2 VAL 36 HG23 VAL 36 4.991 -9.964 -4.153 262 3HG2 VAL 36 HG22 VAL 36 5.083 -9.808 -5.908 263 H LEU 37 HN LEU 37 6.097 -5.799 -1.598 264 HA LEU 37 HA LEU 37 3.215 -5.124 -1.353 265 1HB LEU 37 HB1 LEU 37 5.529 -5.343 0.549 266 2HB LEU 37 HB2 LEU 37 4.131 -4.368 0.973 267 HG LEU 37 HG LEU 37 2.721 -6.198 1.064 268 1HD1 LEU 37 HD12 LEU 37 3.234 -7.028 -1.218 269 2HD1 LEU 37 HD11 LEU 37 4.699 -7.785 -0.594 270 3HD1 LEU 37 HD13 LEU 37 3.115 -8.345 -0.054 271 1HD2 LEU 37 HD22 LEU 37 5.326 -6.560 2.213 272 2HD2 LEU 37 HD21 LEU 37 3.756 -7.035 2.861 273 3HD2 LEU 37 HD23 LEU 37 4.635 -8.126 1.791 274 H GLU 38 HN GLU 38 2.734 -3.093 -2.163 275 HA GLU 38 HA GLU 38 4.607 -0.895 -1.499 276 1HB GLU 38 HB1 GLU 38 4.081 -0.018 -3.917 277 2HB GLU 38 HB2 GLU 38 5.386 -1.175 -3.661 278 1HG GLU 38 HG1 GLU 38 2.860 -2.558 -3.990 279 2HG GLU 38 HG2 GLU 38 3.149 -1.481 -5.356 280 H PHE 39 HN PHE 39 3.593 1.095 -1.200 281 HA PHE 39 HA PHE 39 0.630 1.017 -1.283 282 1HB PHE 39 HB1 PHE 39 2.375 2.959 0.255 283 2HB PHE 39 HB2 PHE 39 0.643 2.692 0.455 284 HD1 PHE 39 HD2 PHE 39 1.196 -0.464 -0.060 285 HD2 PHE 39 HD1 PHE 39 2.611 2.479 2.736 286 HE1 PHE 39 HE2 PHE 39 1.677 -2.258 1.580 287 HE2 PHE 39 HE1 PHE 39 3.090 0.680 4.379 288 HZ PHE 39 HZ PHE 39 2.626 -1.692 3.797 289 H GLY 40 HN GLY 40 -0.381 2.396 -2.735 290 1HA GLY 40 HA1 GLY 40 1.427 4.313 -4.148 291 2HA GLY 40 HA2 GLY 40 0.083 3.489 -4.925 292 H CYS 41 HN CYS 41 -0.907 5.405 -5.582 293 HA CYS 41 HA CYS 41 -1.839 7.261 -3.463 294 1HB CYS 41 HB1 CYS 41 -0.671 8.389 -5.229 295 2HB CYS 41 HB2 CYS 41 -1.554 7.518 -6.469 296 H ALA 42 HN ALA 42 -4.074 8.020 -3.740 297 HA ALA 42 HA ALA 42 -5.956 6.600 -5.398 298 1HB ALA 42 HB3 ALA 42 -5.119 5.209 -3.076 299 2HB ALA 42 HB2 ALA 42 -6.757 5.781 -2.763 300 3HB ALA 42 HB1 ALA 42 -6.428 4.779 -4.176 301 H ALA 43 HN ALA 43 -8.247 6.824 -4.265 302 HA ALA 43 HA ALA 43 -8.450 9.629 -3.300 303 1HB ALA 43 HB2 ALA 43 -9.508 8.692 -5.577 304 2HB ALA 43 HB1 ALA 43 -10.800 8.221 -4.473 305 3HB ALA 43 HB3 ALA 43 -10.327 9.916 -4.605 306 H THR 44 HN THR 44 -9.841 6.356 -2.976 307 HA THR 44 HA THR 44 -10.471 7.000 -0.155 308 HB THR 44 HB THR 44 -12.531 7.401 -1.573 309 HG1 THR 44 HG1 THR 44 -12.417 5.382 0.393 310 1HG2 THR 44 HG22 THR 44 -12.229 4.420 -2.021 311 2HG2 THR 44 HG21 THR 44 -13.679 5.347 -2.408 312 3HG2 THR 44 HG23 THR 44 -12.168 5.678 -3.256 313 H CYS 45 HN CYS 45 -10.551 5.118 1.173 314 HA CYS 45 HA CYS 45 -8.766 3.154 0.882 315 1HB CYS 45 HB1 CYS 45 -10.311 3.629 2.833 316 2HB CYS 45 HB2 CYS 45 -11.494 2.611 2.024 317 HA PRO 46 HA PRO 46 -10.489 0.795 -2.535 318 1HB PRO 46 HB1 PRO 46 -8.260 -0.785 -2.902 319 2HB PRO 46 HB2 PRO 46 -8.420 0.859 -3.541 320 1HG PRO 46 HG1 PRO 46 -6.738 -0.130 -1.311 321 2HG PRO 46 HG2 PRO 46 -6.598 1.369 -2.234 322 1HD PRO 46 HD1 PRO 46 -7.731 0.998 0.395 323 2HD PRO 46 HD2 PRO 46 -7.597 2.509 -0.531 324 H SER 47 HN SER 47 -11.322 -1.369 -2.757 325 HA SER 47 HA SER 47 -10.836 -3.175 -0.427 326 1HB SER 47 HB1 SER 47 -12.978 -2.093 -0.045 327 2HB SER 47 HB2 SER 47 -13.503 -2.474 -1.683 328 HG SER 47 HG SER 47 -12.818 -4.378 0.300 329 H VAL 48 HN VAL 48 -9.347 -3.836 -2.433 330 HA VAL 48 HA VAL 48 -10.879 -5.706 -4.173 331 HB VAL 48 HB VAL 48 -8.057 -4.780 -4.519 332 1HG1 VAL 48 HG11 VAL 48 -9.914 -6.548 -5.975 333 2HG1 VAL 48 HG13 VAL 48 -9.038 -5.398 -6.984 334 3HG1 VAL 48 HG12 VAL 48 -8.150 -6.534 -5.968 335 1HG2 VAL 48 HG22 VAL 48 -9.937 -2.979 -4.570 336 2HG2 VAL 48 HG21 VAL 48 -8.795 -3.033 -5.913 337 3HG2 VAL 48 HG23 VAL 48 -10.400 -3.743 -6.092 338 H ASN 49 HN ASN 49 -10.989 -7.576 -2.906 339 HA ASN 49 HA ASN 49 -8.626 -8.497 -1.478 340 1HB ASN 49 HB1 ASN 49 -10.835 -8.792 -0.455 341 2HB ASN 49 HB2 ASN 49 -11.347 -9.774 -1.829 342 1HD2 ASN 49 HD22 ASN 49 -10.070 -12.688 -0.335 343 2HD2 ASN 49 HD21 ASN 49 -11.236 -11.967 -1.335 344 H THR 50 HN THR 50 -8.453 -8.362 -4.415 345 HA THR 50 HA THR 50 -8.723 -11.028 -5.501 346 HB THR 50 HB THR 50 -8.651 -9.056 -6.966 347 HG1 THR 50 HG1 THR 50 -6.242 -10.348 -7.524 348 1HG2 THR 50 HG23 THR 50 -6.804 -8.043 -5.312 349 2HG2 THR 50 HG22 THR 50 -5.722 -8.715 -6.532 350 3HG2 THR 50 HG21 THR 50 -6.937 -7.522 -6.992 351 H GLY 51 HN GLY 51 -7.653 -12.327 -3.842 352 1HA GLY 51 HA1 GLY 51 -5.785 -13.299 -2.771 353 2HA GLY 51 HA2 GLY 51 -5.083 -13.203 -4.388 354 H THR 52 HN THR 52 -6.031 -10.304 -2.689 355 HA THR 52 HA THR 52 -3.193 -9.759 -1.959 356 HB THR 52 HB THR 52 -5.008 -8.086 -3.707 357 HG1 THR 52 HG1 THR 52 -3.524 -9.612 -4.621 358 1HG2 THR 52 HG21 THR 52 -4.093 -6.659 -1.895 359 2HG2 THR 52 HG23 THR 52 -2.465 -7.197 -2.314 360 3HG2 THR 52 HG22 THR 52 -3.407 -6.252 -3.467 361 H GLU 53 HN GLU 53 -3.022 -7.959 -0.363 362 HA GLU 53 HA GLU 53 -5.563 -7.633 1.168 363 1HB GLU 53 HB1 GLU 53 -2.921 -7.341 2.527 364 2HB GLU 53 HB2 GLU 53 -4.445 -7.959 3.163 365 1HG GLU 53 HG1 GLU 53 -3.845 -9.790 1.189 366 2HG GLU 53 HG2 GLU 53 -2.250 -9.390 1.825 367 H ILE 54 HN ILE 54 -6.133 -5.596 0.264 368 HA ILE 54 HA ILE 54 -4.092 -3.447 0.489 369 HB ILE 54 HB ILE 54 -5.681 -3.946 -1.606 370 1HG1 ILE 54 HG11 ILE 54 -5.166 -1.111 -0.696 371 2HG1 ILE 54 HG12 ILE 54 -3.894 -2.176 -1.293 372 1HG2 ILE 54 HG21 ILE 54 -7.605 -3.186 0.227 373 2HG2 ILE 54 HG22 ILE 54 -7.296 -1.698 -0.671 374 3HG2 ILE 54 HG23 ILE 54 -7.790 -3.158 -1.525 375 1HD1 ILE 54 HD11 ILE 54 -6.188 -2.223 -3.069 376 2HD1 ILE 54 HD12 ILE 54 -5.607 -0.573 -2.842 377 3HD1 ILE 54 HD13 ILE 54 -4.510 -1.820 -3.433 378 H LYS 55 HN LYS 55 -4.855 -1.327 1.371 379 HA LYS 55 HA LYS 55 -7.164 -1.430 3.175 380 1HB LYS 55 HB1 LYS 55 -4.340 -1.628 4.141 381 2HB LYS 55 HB2 LYS 55 -5.477 -0.656 5.077 382 1HG LYS 55 HG1 LYS 55 -6.809 -3.069 4.365 383 2HG LYS 55 HG2 LYS 55 -5.218 -3.516 4.982 384 1HD LYS 55 HD1 LYS 55 -5.608 -2.479 7.065 385 2HD LYS 55 HD2 LYS 55 -6.927 -1.495 6.429 386 1HE LYS 55 HE1 LYS 55 -7.164 -4.490 6.386 387 2HE LYS 55 HE2 LYS 55 -7.466 -3.620 7.891 388 1HZ LYS 55 HZ3 LYS 55 -8.802 -2.198 5.969 389 2HZ LYS 55 HZ1 LYS 55 -9.095 -3.818 5.561 390 3HZ LYS 55 HZ2 LYS 55 -9.494 -3.249 7.112 391 H CYS 56 HN CYS 56 -6.829 0.734 4.678 392 HA CYS 56 HA CYS 56 -6.434 2.899 2.671 393 1HB CYS 56 HB1 CYS 56 -7.551 3.747 5.230 394 2HB CYS 56 HB2 CYS 56 -8.213 3.939 3.611 395 H CYS 57 HN CYS 57 -4.960 4.554 3.059 396 HA CYS 57 HA CYS 57 -3.648 4.815 5.663 397 1HB CYS 57 HB1 CYS 57 -2.441 2.888 4.744 398 2HB CYS 57 HB2 CYS 57 -2.123 3.783 3.260 399 H SER 58 HN SER 58 -2.678 6.837 5.847 400 HA SER 58 HA SER 58 -2.376 8.395 3.346 401 1HB SER 58 HB1 SER 58 -3.231 10.186 5.388 402 2HB SER 58 HB2 SER 58 -4.063 9.784 3.889 403 HG SER 58 HG SER 58 -5.191 9.299 5.930 404 H ALA 59 HN ALA 59 -0.977 7.291 6.126 405 HA ALA 59 HA ALA 59 1.338 9.010 5.730 406 1HB ALA 59 HB2 ALA 59 -0.311 9.313 8.255 407 2HB ALA 59 HB1 ALA 59 1.318 9.956 8.043 408 3HB ALA 59 HB3 ALA 59 -0.005 10.559 7.045 409 H ASP 60 HN ASP 60 1.206 8.196 8.967 410 HA ASP 60 HA ASP 60 2.763 5.728 8.466 411 1HB ASP 60 HB1 ASP 60 3.668 7.549 9.992 412 2HB ASP 60 HB2 ASP 60 2.335 7.192 11.091 413 H LYS 61 HN LYS 61 -0.075 5.863 8.075 414 HA LYS 61 HA LYS 61 -1.091 4.205 10.307 415 1HB LYS 61 HB1 LYS 61 -2.533 6.078 9.963 416 2HB LYS 61 HB2 LYS 61 -2.498 5.859 8.213 417 1HG LYS 61 HG1 LYS 61 -3.971 4.082 8.275 418 2HG LYS 61 HG2 LYS 61 -3.458 3.577 9.884 419 1HD LYS 61 HD1 LYS 61 -5.669 4.487 10.123 420 2HD LYS 61 HD2 LYS 61 -4.557 5.693 10.770 421 1HE LYS 61 HE1 LYS 61 -4.595 6.827 8.522 422 2HE LYS 61 HE2 LYS 61 -5.852 5.692 8.028 423 1HZ LYS 61 HZ3 LYS 61 -6.761 6.609 10.401 424 2HZ LYS 61 HZ1 LYS 61 -6.031 7.992 9.744 425 3HZ LYS 61 HZ2 LYS 61 -7.250 7.184 8.878 426 H CYS 62 HN CYS 62 0.352 3.874 7.400 427 HA CYS 62 HA CYS 62 -1.236 2.086 5.908 428 1HB CYS 62 HB1 CYS 62 1.756 2.313 6.272 429 2HB CYS 62 HB2 CYS 62 1.034 1.154 5.160 430 H ASN 63 HN ASN 63 0.908 1.459 8.675 431 HA ASN 63 HA ASN 63 -0.358 -1.218 8.909 432 1HB ASN 63 HB1 ASN 63 1.853 -2.077 9.675 433 2HB ASN 63 HB2 ASN 63 1.880 -1.538 7.998 434 1HD2 ASN 63 HD21 ASN 63 4.310 -1.291 8.460 435 2HD2 ASN 63 HD22 ASN 63 4.836 0.151 9.186 436 H THR 64 HN THR 64 -1.613 0.442 10.406 437 HA THR 64 HA THR 64 -0.635 -0.057 13.135 438 HB THR 64 HB THR 64 -1.367 2.702 13.095 439 HG1 THR 64 HG1 THR 64 0.815 3.052 11.864 440 1HG2 THR 64 HG22 THR 64 0.747 0.887 13.997 441 2HG2 THR 64 HG21 THR 64 1.328 2.514 13.639 442 3HG2 THR 64 HG23 THR 64 0.035 2.278 14.816 443 H TYR 65 HN TYR 65 -2.544 -1.174 13.586 444 HA TYR 65 HA TYR 65 -5.093 -0.720 12.769 445 1HB TYR 65 HB1 TYR 65 -4.844 -2.596 14.127 446 2HB TYR 65 HB2 TYR 65 -4.028 -1.698 15.397 447 HD1 TYR 65 HD2 TYR 65 -5.337 -0.163 16.884 448 HD2 TYR 65 HD1 TYR 65 -7.237 -2.733 14.010 449 HE1 TYR 65 HE2 TYR 65 -7.512 0.155 18.037 450 HE2 TYR 65 HE1 TYR 65 -9.411 -2.415 15.163 451 HH TYR 65 HH TYR 65 -9.976 -1.708 17.857 452 HA PRO 66 HA PRO 66 -5.820 2.648 16.080 453 1HB PRO 66 HB1 PRO 66 -3.608 3.604 17.409 454 2HB PRO 66 HB2 PRO 66 -4.611 2.267 18.000 455 1HG PRO 66 HG1 PRO 66 -1.901 2.199 16.730 456 2HG PRO 66 HG2 PRO 66 -2.623 1.071 17.889 457 1HD PRO 66 HD1 PRO 66 -2.388 0.673 15.097 458 2HD PRO 66 HD2 PRO 66 -3.403 -0.271 16.203 No H/Q in entry = 458 Start of MODEL 12 1 1H ARG 1 HT1 ARG 1 3.606 15.539 -2.011 2 2H ARG 1 HT2 ARG 1 3.249 15.124 -3.619 3 3H ARG 1 HT3 ARG 1 1.992 15.438 -2.520 4 HA ARG 1 HA ARG 1 2.035 13.142 -2.675 5 1HB ARG 1 HB1 ARG 1 3.856 12.042 -3.401 6 2HB ARG 1 HB2 ARG 1 4.658 13.601 -3.506 7 1HG ARG 1 HG1 ARG 1 5.075 13.131 -0.895 8 2HG ARG 1 HG2 ARG 1 4.941 11.462 -1.451 9 1HD ARG 1 HD1 ARG 1 6.924 11.563 -2.547 10 2HD ARG 1 HD2 ARG 1 6.575 13.164 -3.202 11 HE ARG 1 HE ARG 1 7.728 12.665 -0.492 12 1HH1 ARG 1 HH21 ARG 1 6.403 14.947 -2.631 13 2HH1 ARG 1 HH22 ARG 1 7.614 16.153 -2.343 14 1HH2 ARG 1 HH11 ARG 1 9.572 14.094 -0.358 15 2HH2 ARG 1 HH12 ARG 1 9.407 15.670 -1.057 16 H GLU 2 HN GLU 2 1.985 11.665 -0.820 17 HA GLU 2 HA GLU 2 2.925 12.884 1.720 18 1HB GLU 2 HB1 GLU 2 0.694 12.407 2.764 19 2HB GLU 2 HB2 GLU 2 0.635 13.663 1.527 20 1HG GLU 2 HG1 GLU 2 0.287 11.064 0.313 21 2HG GLU 2 HG2 GLU 2 -0.878 11.274 1.621 22 H CYS 3 HN CYS 3 4.110 10.697 0.536 23 HA CYS 3 HA CYS 3 3.585 8.679 2.584 24 1HB CYS 3 HB1 CYS 3 3.634 7.836 -0.330 25 2HB CYS 3 HB2 CYS 3 3.277 6.834 1.071 26 H TYR 4 HN TYR 4 5.486 8.392 -0.417 27 HA TYR 4 HA TYR 4 7.784 7.801 -0.590 28 1HB TYR 4 HB1 TYR 4 9.179 9.740 0.189 29 2HB TYR 4 HB2 TYR 4 7.813 10.199 -0.827 30 HD1 TYR 4 HD1 TYR 4 5.828 11.308 0.158 31 HD2 TYR 4 HD2 TYR 4 9.209 10.244 2.581 32 HE1 TYR 4 HE1 TYR 4 4.978 12.765 1.977 33 HE2 TYR 4 HE2 TYR 4 8.362 11.699 4.402 34 HH TYR 4 HH TYR 4 5.915 13.988 3.937 35 H LEU 5 HN LEU 5 6.507 6.737 1.940 36 HA LEU 5 HA LEU 5 8.968 6.347 3.395 37 1HB LEU 5 HB1 LEU 5 6.444 7.493 4.396 38 2HB LEU 5 HB2 LEU 5 7.491 6.619 5.487 39 HG LEU 5 HG LEU 5 8.517 8.811 3.672 40 1HD1 LEU 5 HD12 LEU 5 7.288 9.048 6.433 41 2HD1 LEU 5 HD11 LEU 5 8.343 10.282 5.746 42 3HD1 LEU 5 HD13 LEU 5 6.811 9.897 4.963 43 1HD2 LEU 5 HD23 LEU 5 9.785 6.975 5.323 44 2HD2 LEU 5 HD21 LEU 5 10.486 8.491 4.757 45 3HD2 LEU 5 HD22 LEU 5 9.699 8.418 6.333 46 H ASN 6 HN ASN 6 6.004 5.467 4.896 47 HA ASN 6 HA ASN 6 5.259 3.358 5.573 48 1HB ASN 6 HB1 ASN 6 4.172 2.297 3.848 49 2HB ASN 6 HB2 ASN 6 4.544 3.814 3.051 50 1HD2 ASN 6 HD22 ASN 6 5.577 1.212 0.671 51 2HD2 ASN 6 HD21 ASN 6 4.132 1.815 1.312 52 HA PRO 7 HA PRO 7 8.473 0.407 5.992 53 1HB PRO 7 HB1 PRO 7 7.295 -2.036 5.500 54 2HB PRO 7 HB2 PRO 7 7.012 -1.083 6.968 55 1HG PRO 7 HG1 PRO 7 5.225 -1.526 4.624 56 2HG PRO 7 HG2 PRO 7 4.801 -1.099 6.287 57 1HD PRO 7 HD1 PRO 7 4.925 0.657 4.039 58 2HD PRO 7 HD2 PRO 7 4.705 1.131 5.739 59 H HIS 8 HN HIS 8 6.674 0.011 2.990 60 HA HIS 8 HA HIS 8 8.934 -1.339 1.655 61 1HB HIS 8 HB1 HIS 8 6.467 -0.321 0.274 62 2HB HIS 8 HB2 HIS 8 7.465 -1.714 -0.132 63 HD1 HIS 8 HD1 HIS 8 6.970 -3.920 1.060 64 HD2 HIS 8 HD2 HIS 8 4.684 -0.752 2.508 65 HE1 HIS 8 HE1 HIS 8 5.192 -4.944 2.546 66 H ASP 9 HN ASP 9 8.595 -0.091 -0.880 67 HA ASP 9 HA ASP 9 10.264 2.273 -0.438 68 1HB ASP 9 HB1 ASP 9 10.298 0.449 -2.385 69 2HB ASP 9 HB2 ASP 9 9.198 1.601 -3.145 70 H THR 10 HN THR 10 6.965 1.867 -0.363 71 HA THR 10 HA THR 10 5.152 3.334 -0.662 72 HB THR 10 HB THR 10 6.381 5.868 -0.660 73 HG1 THR 10 HG1 THR 10 7.753 3.974 0.934 74 1HG2 THR 10 HG23 THR 10 4.535 4.428 0.854 75 2HG2 THR 10 HG22 THR 10 5.803 4.835 2.003 76 3HG2 THR 10 HG21 THR 10 4.994 6.111 1.101 77 H GLN 11 HN GLN 11 4.559 5.449 -2.078 78 HA GLN 11 HA GLN 11 6.062 5.449 -4.591 79 1HB GLN 11 HB1 GLN 11 4.530 3.754 -5.152 80 2HB GLN 11 HB2 GLN 11 3.206 4.555 -4.314 81 1HG GLN 11 HG1 GLN 11 3.102 6.287 -5.994 82 2HG GLN 11 HG2 GLN 11 4.579 5.700 -6.760 83 1HE2 GLN 11 HE22 GLN 11 1.778 4.300 -8.740 84 2HE2 GLN 11 HE21 GLN 11 2.438 5.835 -8.446 85 H THR 12 HN THR 12 4.719 7.243 -2.219 86 HA THR 12 HA THR 12 4.130 9.504 -2.053 87 HB THR 12 HB THR 12 5.333 10.941 -3.449 88 HG1 THR 12 HG1 THR 12 5.919 10.271 -5.589 89 1HG2 THR 12 HG22 THR 12 6.790 9.282 -2.319 90 2HG2 THR 12 HG21 THR 12 6.722 8.276 -3.766 91 3HG2 THR 12 HG23 THR 12 7.485 9.864 -3.832 92 H CYS 13 HN CYS 13 2.513 10.981 -2.668 93 HA CYS 13 HA CYS 13 0.775 10.182 -4.969 94 1HB CYS 13 HB1 CYS 13 -0.398 9.443 -2.985 95 2HB CYS 13 HB2 CYS 13 -0.046 10.953 -2.150 96 HA PRO 14 HA PRO 14 2.027 14.657 -4.993 97 1HB PRO 14 HB1 PRO 14 3.123 14.593 -7.522 98 2HB PRO 14 HB2 PRO 14 4.039 14.285 -6.036 99 1HG PRO 14 HG1 PRO 14 3.047 12.353 -8.099 100 2HG PRO 14 HG2 PRO 14 4.455 12.227 -7.032 101 1HD PRO 14 HD1 PRO 14 1.962 10.934 -6.664 102 2HD PRO 14 HD2 PRO 14 3.236 11.101 -5.437 103 H SER 15 HN SER 15 1.030 12.974 -8.019 104 HA SER 15 HA SER 15 -0.928 15.172 -8.472 105 1HB SER 15 HB1 SER 15 -0.891 13.317 -10.639 106 2HB SER 15 HB2 SER 15 -0.296 14.974 -10.622 107 HG SER 15 HG SER 15 1.673 14.291 -10.417 108 H GLY 16 HN GLY 16 -3.137 14.640 -9.003 109 1HA GLY 16 HA1 GLY 16 -4.984 13.083 -9.193 110 2HA GLY 16 HA2 GLY 16 -3.987 11.852 -8.419 111 H GLN 17 HN GLN 17 -5.559 11.427 -6.785 112 HA GLN 17 HA GLN 17 -6.681 13.534 -5.145 113 1HB GLN 17 HB1 GLN 17 -6.504 10.528 -4.838 114 2HB GLN 17 HB2 GLN 17 -7.271 11.556 -3.627 115 1HG GLN 17 HG1 GLN 17 -8.057 11.839 -6.511 116 2HG GLN 17 HG2 GLN 17 -8.720 10.510 -5.560 117 1HE2 GLN 17 HE22 GLN 17 -9.916 14.347 -4.802 118 2HE2 GLN 17 HE21 GLN 17 -8.619 14.049 -5.857 119 H GLU 18 HN GLU 18 -6.256 12.619 -2.524 120 HA GLU 18 HA GLU 18 -3.302 12.942 -2.196 121 1HB GLU 18 HB1 GLU 18 -5.461 14.190 -0.471 122 2HB GLU 18 HB2 GLU 18 -3.720 14.383 -0.263 123 1HG GLU 18 HG1 GLU 18 -3.905 15.147 -2.827 124 2HG GLU 18 HG2 GLU 18 -5.538 15.571 -2.311 125 H ILE 19 HN ILE 19 -5.025 10.516 -2.153 126 HA ILE 19 HA ILE 19 -4.850 9.743 0.725 127 HB ILE 19 HB ILE 19 -6.065 8.141 -1.524 128 1HG1 ILE 19 HG11 ILE 19 -6.908 10.692 -0.827 129 2HG1 ILE 19 HG12 ILE 19 -7.904 9.468 -1.596 130 1HG2 ILE 19 HG21 ILE 19 -6.210 8.121 1.486 131 2HG2 ILE 19 HG22 ILE 19 -7.487 7.385 0.514 132 3HG2 ILE 19 HG23 ILE 19 -5.828 6.795 0.388 133 1HD1 ILE 19 HD12 ILE 19 -7.632 9.711 1.411 134 2HD1 ILE 19 HD13 ILE 19 -8.898 10.528 0.493 135 3HD1 ILE 19 HD11 ILE 19 -8.820 8.766 0.511 136 H CYS 20 HN CYS 20 -3.993 7.584 1.153 137 HA CYS 20 HA CYS 20 -1.909 6.770 -0.828 138 1HB CYS 20 HB1 CYS 20 -1.223 8.009 1.453 139 2HB CYS 20 HB2 CYS 20 -1.375 6.371 2.084 140 H TYR 21 HN TYR 21 -2.542 4.746 -1.541 141 HA TYR 21 HA TYR 21 -4.004 3.046 0.413 142 1HB TYR 21 HB1 TYR 21 -4.863 1.815 -1.395 143 2HB TYR 21 HB2 TYR 21 -4.807 3.457 -2.029 144 HD1 TYR 21 HD2 TYR 21 -2.759 0.318 -1.845 145 HD2 TYR 21 HD1 TYR 21 -3.678 3.906 -4.017 146 HE1 TYR 21 HE2 TYR 21 -1.298 -0.433 -3.704 147 HE2 TYR 21 HE1 TYR 21 -2.218 3.156 -5.879 148 HH TYR 21 HH TYR 21 -0.547 1.671 -6.418 149 H VAL 22 HN VAL 22 -3.328 0.780 0.651 150 HA VAL 22 HA VAL 22 -0.410 0.465 0.098 151 HB VAL 22 HB VAL 22 -0.096 -0.506 2.276 152 1HG1 VAL 22 HG12 VAL 22 -1.915 1.920 2.479 153 2HG1 VAL 22 HG11 VAL 22 -0.871 1.334 3.772 154 3HG1 VAL 22 HG13 VAL 22 -0.163 1.951 2.281 155 1HG2 VAL 22 HG23 VAL 22 -3.104 -0.541 2.299 156 2HG2 VAL 22 HG22 VAL 22 -1.980 -1.861 2.625 157 3HG2 VAL 22 HG21 VAL 22 -2.195 -0.573 3.811 158 H LYS 23 HN LYS 23 -0.246 -1.130 -1.410 159 HA LYS 23 HA LYS 23 -2.182 -3.403 -1.285 160 1HB LYS 23 HB1 LYS 23 -0.581 -2.129 -3.462 161 2HB LYS 23 HB2 LYS 23 -0.897 -3.858 -3.586 162 1HG LYS 23 HG1 LYS 23 -3.365 -3.177 -3.034 163 2HG LYS 23 HG2 LYS 23 -2.850 -1.575 -3.562 164 1HD LYS 23 HD1 LYS 23 -2.244 -3.987 -5.255 165 2HD LYS 23 HD2 LYS 23 -3.840 -3.240 -5.326 166 1HE LYS 23 HE1 LYS 23 -3.059 -1.493 -6.527 167 2HE LYS 23 HE2 LYS 23 -1.702 -1.257 -5.425 168 1HZ LYS 23 HZ1 LYS 23 -1.186 -3.599 -6.794 169 2HZ LYS 23 HZ2 LYS 23 -1.738 -2.502 -7.968 170 3HZ LYS 23 HZ3 LYS 23 -0.407 -2.106 -6.989 171 H SER 24 HN SER 24 -1.438 -5.443 -0.735 172 HA SER 24 HA SER 24 1.523 -5.783 -0.677 173 1HB SER 24 HB1 SER 24 0.475 -7.377 1.395 174 2HB SER 24 HB2 SER 24 1.441 -5.916 1.569 175 HG SER 24 HG SER 24 -0.284 -5.117 2.431 176 H TRP 25 HN TRP 25 1.819 -7.236 -2.315 177 HA TRP 25 HA TRP 25 0.311 -9.818 -2.101 178 1HB TRP 25 HB1 TRP 25 0.080 -9.886 -4.529 179 2HB TRP 25 HB2 TRP 25 -0.624 -8.382 -3.926 180 HD1 TRP 25 HD1 TRP 25 2.119 -9.688 -6.135 181 HE1 TRP 25 HE1 TRP 25 3.427 -7.684 -7.116 182 HE3 TRP 25 HE3 TRP 25 0.216 -6.003 -3.261 183 HZ2 TRP 25 HZ2 TRP 25 3.626 -4.835 -6.676 184 HZ3 TRP 25 HZ3 TRP 25 0.959 -3.701 -3.500 185 HH2 TRP 25 HH2 TRP 25 2.662 -3.072 -5.209 186 H CYS 26 HN CYS 26 1.491 -11.653 -2.926 187 HA CYS 26 HA CYS 26 4.330 -11.173 -3.663 188 1HB CYS 26 HB1 CYS 26 5.223 -12.501 -1.964 189 2HB CYS 26 HB2 CYS 26 3.925 -11.672 -1.116 190 H ASN 27 HN ASN 27 5.039 -13.905 -3.638 191 HA ASN 27 HA ASN 27 3.313 -14.902 -5.864 192 1HB ASN 27 HB1 ASN 27 6.242 -15.314 -5.226 193 2HB ASN 27 HB2 ASN 27 5.382 -16.307 -6.404 194 1HD2 ASN 27 HD22 ASN 27 6.101 -13.875 -8.854 195 2HD2 ASN 27 HD21 ASN 27 6.155 -15.508 -8.397 196 H ALA 28 HN ALA 28 3.807 -17.523 -5.957 197 HA ALA 28 HA ALA 28 2.525 -18.521 -3.552 198 1HB ALA 28 HB2 ALA 28 3.376 -19.699 -6.163 199 2HB ALA 28 HB1 ALA 28 3.025 -20.786 -4.818 200 3HB ALA 28 HB3 ALA 28 1.779 -19.688 -5.415 201 H TRP 29 HN TRP 29 5.626 -17.732 -4.089 202 HA TRP 29 HA TRP 29 6.583 -19.690 -2.079 203 1HB TRP 29 HB1 TRP 29 8.016 -18.980 -4.630 204 2HB TRP 29 HB2 TRP 29 8.651 -19.977 -3.349 205 HD1 TRP 29 HD1 TRP 29 5.386 -19.974 -5.490 206 HE1 TRP 29 HE1 TRP 29 4.895 -22.439 -6.103 207 HE3 TRP 29 HE3 TRP 29 9.250 -22.194 -3.124 208 HZ2 TRP 29 HZ2 TRP 29 6.036 -25.044 -5.624 209 HZ3 TRP 29 HZ3 TRP 29 9.566 -24.671 -3.188 210 HH2 TRP 29 HH2 TRP 29 7.956 -26.093 -4.440 211 H CYS 30 HN CYS 30 5.841 -16.765 -2.099 212 HA CYS 30 HA CYS 30 8.245 -15.200 -1.984 213 1HB CYS 30 HB1 CYS 30 6.795 -13.612 -0.619 214 2HB CYS 30 HB2 CYS 30 6.233 -13.998 -2.245 215 H SER 31 HN SER 31 7.691 -17.746 -0.027 216 HA SER 31 HA SER 31 7.787 -17.032 2.624 217 1HB SER 31 HB1 SER 31 8.078 -19.366 1.715 218 2HB SER 31 HB2 SER 31 9.761 -18.967 1.377 219 HG SER 31 HG SER 31 9.346 -19.990 3.455 220 H SER 32 HN SER 32 8.688 -14.981 2.956 221 HA SER 32 HA SER 32 10.360 -13.335 3.088 222 1HB SER 32 HB1 SER 32 12.357 -15.401 3.796 223 2HB SER 32 HB2 SER 32 11.933 -13.910 4.632 224 HG SER 32 HG SER 32 9.888 -15.007 5.131 225 H ARG 33 HN ARG 33 10.348 -13.186 0.753 226 HA ARG 33 HA ARG 33 13.032 -13.886 -0.344 227 1HB ARG 33 HB1 ARG 33 11.459 -15.528 -1.262 228 2HB ARG 33 HB2 ARG 33 10.395 -14.229 -1.806 229 1HG ARG 33 HG1 ARG 33 12.629 -13.396 -2.999 230 2HG ARG 33 HG2 ARG 33 13.043 -15.107 -2.893 231 1HD ARG 33 HD1 ARG 33 10.492 -15.298 -3.792 232 2HD ARG 33 HD2 ARG 33 10.952 -13.755 -4.514 233 HE ARG 33 HE ARG 33 12.714 -16.128 -4.901 234 1HH1 ARG 33 HH11 ARG 33 12.140 -13.110 -6.072 235 2HH1 ARG 33 HH12 ARG 33 11.908 -13.567 -7.726 236 1HH2 ARG 33 HH21 ARG 33 11.769 -16.965 -7.045 237 2HH2 ARG 33 HH22 ARG 33 11.697 -15.749 -8.277 238 H GLY 34 HN GLY 34 10.702 -12.524 -2.509 239 1HA GLY 34 HA1 GLY 34 11.821 -9.802 -1.990 240 2HA GLY 34 HA2 GLY 34 11.692 -10.442 -3.630 241 H LYS 35 HN LYS 35 9.517 -10.308 -0.787 242 HA LYS 35 HA LYS 35 7.073 -10.254 -2.092 243 1HB LYS 35 HB1 LYS 35 7.788 -8.480 0.264 244 2HB LYS 35 HB2 LYS 35 6.177 -9.050 -0.175 245 1HG LYS 35 HG1 LYS 35 7.366 -11.429 -0.006 246 2HG LYS 35 HG2 LYS 35 8.451 -10.544 1.068 247 1HD LYS 35 HD1 LYS 35 5.469 -10.298 1.393 248 2HD LYS 35 HD2 LYS 35 6.322 -11.682 2.075 249 1HE LYS 35 HE1 LYS 35 7.742 -9.225 2.660 250 2HE LYS 35 HE2 LYS 35 6.071 -9.117 3.213 251 1HZ LYS 35 HZ2 LYS 35 6.437 -11.374 4.225 252 2HZ LYS 35 HZ3 LYS 35 8.095 -11.158 3.921 253 3HZ LYS 35 HZ1 LYS 35 7.279 -10.094 4.958 254 H VAL 36 HN VAL 36 5.945 -8.784 -3.325 255 HA VAL 36 HA VAL 36 7.352 -6.229 -3.963 256 HB VAL 36 HB VAL 36 4.995 -6.892 -5.584 257 1HG1 VAL 36 HG11 VAL 36 6.829 -5.181 -6.022 258 2HG1 VAL 36 HG13 VAL 36 7.887 -6.541 -6.399 259 3HG1 VAL 36 HG12 VAL 36 6.447 -6.247 -7.374 260 1HG2 VAL 36 HG23 VAL 36 7.377 -8.776 -5.582 261 2HG2 VAL 36 HG22 VAL 36 5.719 -9.197 -5.148 262 3HG2 VAL 36 HG21 VAL 36 6.111 -8.751 -6.809 263 H LEU 37 HN LEU 37 6.387 -5.706 -1.687 264 HA LEU 37 HA LEU 37 3.538 -4.909 -1.886 265 1HB LEU 37 HB1 LEU 37 5.467 -5.332 0.397 266 2HB LEU 37 HB2 LEU 37 3.908 -4.561 0.618 267 HG LEU 37 HG LEU 37 2.754 -6.519 0.367 268 1HD1 LEU 37 HD12 LEU 37 3.554 -6.777 -2.030 269 2HD1 LEU 37 HD11 LEU 37 4.921 -7.690 -1.397 270 3HD1 LEU 37 HD13 LEU 37 3.279 -8.291 -1.174 271 1HD2 LEU 37 HD22 LEU 37 5.533 -7.513 0.997 272 2HD2 LEU 37 HD21 LEU 37 4.313 -6.982 2.156 273 3HD2 LEU 37 HD23 LEU 37 4.058 -8.455 1.219 274 H GLU 38 HN GLU 38 3.205 -2.792 -2.436 275 HA GLU 38 HA GLU 38 4.939 -0.746 -1.172 276 1HB GLU 38 HB1 GLU 38 4.880 0.509 -3.430 277 2HB GLU 38 HB2 GLU 38 6.017 -0.830 -3.269 278 1HG GLU 38 HG1 GLU 38 3.443 -1.814 -4.132 279 2HG GLU 38 HG2 GLU 38 3.985 -0.530 -5.211 280 H PHE 39 HN PHE 39 3.882 1.292 -0.944 281 HA PHE 39 HA PHE 39 0.952 1.184 -1.404 282 1HB PHE 39 HB1 PHE 39 2.361 2.867 0.677 283 2HB PHE 39 HB2 PHE 39 0.642 2.478 0.588 284 HD1 PHE 39 HD1 PHE 39 1.257 -0.498 -0.290 285 HD2 PHE 39 HD2 PHE 39 2.555 1.969 2.977 286 HE1 PHE 39 HE1 PHE 39 1.656 -2.526 1.078 287 HE2 PHE 39 HE2 PHE 39 2.951 -0.063 4.349 288 HZ PHE 39 HZ PHE 39 2.502 -2.310 3.398 289 H GLY 40 HN GLY 40 0.023 2.988 -2.492 290 1HA GLY 40 HA1 GLY 40 1.944 5.165 -3.189 291 2HA GLY 40 HA2 GLY 40 0.993 4.388 -4.450 292 H CYS 41 HN CYS 41 -0.289 6.096 -5.072 293 HA CYS 41 HA CYS 41 -1.737 7.608 -2.985 294 1HB CYS 41 HB1 CYS 41 -0.518 8.865 -4.717 295 2HB CYS 41 HB2 CYS 41 -1.490 8.112 -5.963 296 H ALA 42 HN ALA 42 -3.951 8.057 -3.359 297 HA ALA 42 HA ALA 42 -5.563 6.482 -5.189 298 1HB ALA 42 HB3 ALA 42 -5.032 5.493 -2.457 299 2HB ALA 42 HB2 ALA 42 -6.735 5.538 -2.909 300 3HB ALA 42 HB1 ALA 42 -5.589 4.618 -3.884 301 H ALA 43 HN ALA 43 -7.966 6.602 -4.205 302 HA ALA 43 HA ALA 43 -8.371 9.448 -3.447 303 1HB ALA 43 HB2 ALA 43 -9.209 8.531 -5.720 304 2HB ALA 43 HB1 ALA 43 -10.441 7.702 -4.769 305 3HB ALA 43 HB3 ALA 43 -10.344 9.463 -4.744 306 H THR 44 HN THR 44 -9.640 6.143 -2.943 307 HA THR 44 HA THR 44 -10.284 6.849 -0.173 308 HB THR 44 HB THR 44 -12.287 7.611 -1.480 309 HG1 THR 44 HG1 THR 44 -12.441 6.797 0.675 310 1HG2 THR 44 HG22 THR 44 -11.921 5.620 -3.144 311 2HG2 THR 44 HG21 THR 44 -12.891 4.712 -1.985 312 3HG2 THR 44 HG23 THR 44 -13.563 6.140 -2.770 313 H CYS 45 HN CYS 45 -10.504 4.992 1.125 314 HA CYS 45 HA CYS 45 -9.106 2.754 0.657 315 1HB CYS 45 HB1 CYS 45 -10.341 3.449 2.762 316 2HB CYS 45 HB2 CYS 45 -11.764 2.677 2.073 317 HA PRO 46 HA PRO 46 -11.368 0.659 -2.567 318 1HB PRO 46 HB1 PRO 46 -9.930 -1.688 -2.520 319 2HB PRO 46 HB2 PRO 46 -9.344 -0.196 -3.277 320 1HG PRO 46 HG1 PRO 46 -8.553 -1.461 -0.696 321 2HG PRO 46 HG2 PRO 46 -7.605 -0.418 -1.770 322 1HD PRO 46 HD1 PRO 46 -8.866 0.340 0.635 323 2HD PRO 46 HD2 PRO 46 -8.190 1.437 -0.587 324 H SER 47 HN SER 47 -12.190 -1.830 -2.793 325 HA SER 47 HA SER 47 -13.202 -2.772 -0.155 326 1HB SER 47 HB1 SER 47 -15.038 -1.467 -0.960 327 2HB SER 47 HB2 SER 47 -14.864 -2.104 -2.591 328 HG SER 47 HG SER 47 -15.348 -3.825 -0.425 329 H VAL 48 HN VAL 48 -11.362 -3.576 -2.621 330 HA VAL 48 HA VAL 48 -12.522 -6.300 -2.961 331 HB VAL 48 HB VAL 48 -10.706 -4.672 -4.679 332 1HG1 VAL 48 HG11 VAL 48 -11.008 -7.621 -4.496 333 2HG1 VAL 48 HG13 VAL 48 -10.987 -6.927 -6.117 334 3HG1 VAL 48 HG12 VAL 48 -9.623 -6.668 -5.029 335 1HG2 VAL 48 HG22 VAL 48 -13.194 -4.425 -4.869 336 2HG2 VAL 48 HG21 VAL 48 -12.435 -5.013 -6.348 337 3HG2 VAL 48 HG23 VAL 48 -13.281 -6.137 -5.284 338 H ASN 49 HN ASN 49 -11.492 -7.896 -1.855 339 HA ASN 49 HA ASN 49 -8.614 -7.574 -1.291 340 1HB ASN 49 HB1 ASN 49 -10.210 -7.148 0.687 341 2HB ASN 49 HB2 ASN 49 -10.527 -8.881 0.629 342 1HD2 ASN 49 HD22 ASN 49 -7.679 -8.369 2.981 343 2HD2 ASN 49 HD21 ASN 49 -9.315 -7.918 2.941 344 H THR 50 HN THR 50 -8.960 -8.973 -3.444 345 HA THR 50 HA THR 50 -9.771 -11.733 -3.038 346 HB THR 50 HB THR 50 -9.812 -10.556 -5.253 347 HG1 THR 50 HG1 THR 50 -9.791 -12.537 -5.876 348 1HG2 THR 50 HG23 THR 50 -7.262 -9.773 -4.591 349 2HG2 THR 50 HG22 THR 50 -6.961 -11.054 -5.766 350 3HG2 THR 50 HG21 THR 50 -7.962 -9.672 -6.206 351 H GLY 51 HN GLY 51 -7.090 -12.463 -4.600 352 1HA GLY 51 HA1 GLY 51 -5.732 -13.529 -2.297 353 2HA GLY 51 HA2 GLY 51 -5.091 -13.505 -3.942 354 H THR 52 HN THR 52 -5.904 -10.417 -3.518 355 HA THR 52 HA THR 52 -3.181 -9.631 -2.663 356 HB THR 52 HB THR 52 -5.462 -8.198 -4.058 357 HG1 THR 52 HG1 THR 52 -3.846 -9.690 -5.098 358 1HG2 THR 52 HG23 THR 52 -2.836 -7.111 -3.001 359 2HG2 THR 52 HG22 THR 52 -3.803 -6.285 -4.224 360 3HG2 THR 52 HG21 THR 52 -4.464 -6.556 -2.611 361 H GLU 53 HN GLU 53 -2.876 -8.205 -0.886 362 HA GLU 53 HA GLU 53 -5.304 -7.807 0.797 363 1HB GLU 53 HB1 GLU 53 -3.833 -7.888 2.755 364 2HB GLU 53 HB2 GLU 53 -3.634 -9.353 1.793 365 1HG GLU 53 HG1 GLU 53 -1.817 -7.419 0.767 366 2HG GLU 53 HG2 GLU 53 -1.650 -7.412 2.524 367 H ILE 54 HN ILE 54 -5.768 -5.743 -0.133 368 HA ILE 54 HA ILE 54 -3.674 -3.668 0.272 369 HB ILE 54 HB ILE 54 -4.941 -3.993 -1.983 370 1HG1 ILE 54 HG11 ILE 54 -4.837 -1.269 -0.659 371 2HG1 ILE 54 HG12 ILE 54 -3.485 -2.066 -1.463 372 1HG2 ILE 54 HG21 ILE 54 -7.136 -3.516 -0.262 373 2HG2 ILE 54 HG22 ILE 54 -6.965 -2.094 -1.287 374 3HG2 ILE 54 HG23 ILE 54 -7.157 -3.687 -2.015 375 1HD1 ILE 54 HD11 ILE 54 -5.018 -2.190 -3.529 376 2HD1 ILE 54 HD12 ILE 54 -6.049 -1.032 -2.686 377 3HD1 ILE 54 HD13 ILE 54 -4.390 -0.598 -3.100 378 H LYS 55 HN LYS 55 -4.549 -1.522 1.129 379 HA LYS 55 HA LYS 55 -6.969 -1.752 2.785 380 1HB LYS 55 HB1 LYS 55 -4.192 -1.816 3.888 381 2HB LYS 55 HB2 LYS 55 -5.412 -0.893 4.769 382 1HG LYS 55 HG1 LYS 55 -6.542 -3.409 3.956 383 2HG LYS 55 HG2 LYS 55 -5.012 -3.707 4.782 384 1HD LYS 55 HD1 LYS 55 -6.502 -3.615 6.579 385 2HD LYS 55 HD2 LYS 55 -5.939 -1.944 6.507 386 1HE LYS 55 HE1 LYS 55 -8.052 -1.253 6.161 387 2HE LYS 55 HE2 LYS 55 -8.124 -2.219 4.686 388 1HZ LYS 55 HZ3 LYS 55 -8.602 -4.162 6.187 389 2HZ LYS 55 HZ1 LYS 55 -8.841 -3.041 7.438 390 3HZ LYS 55 HZ2 LYS 55 -9.838 -3.003 6.063 391 H CYS 56 HN CYS 56 -6.874 0.399 4.301 392 HA CYS 56 HA CYS 56 -6.421 2.621 2.366 393 1HB CYS 56 HB1 CYS 56 -7.803 3.533 4.706 394 2HB CYS 56 HB2 CYS 56 -8.413 3.423 3.060 395 H CYS 57 HN CYS 57 -4.741 3.963 2.750 396 HA CYS 57 HA CYS 57 -3.734 4.217 5.548 397 1HB CYS 57 HB1 CYS 57 -2.351 2.542 4.393 398 2HB CYS 57 HB2 CYS 57 -2.054 3.682 3.082 399 H SER 58 HN SER 58 -2.548 6.163 5.926 400 HA SER 58 HA SER 58 -2.576 8.155 3.758 401 1HB SER 58 HB1 SER 58 -4.740 8.343 5.048 402 2HB SER 58 HB2 SER 58 -3.776 8.781 6.455 403 HG SER 58 HG SER 58 -4.636 10.478 4.850 404 H ALA 59 HN ALA 59 -1.067 6.777 6.394 405 HA ALA 59 HA ALA 59 1.193 8.584 6.126 406 1HB ALA 59 HB3 ALA 59 -0.496 8.684 8.637 407 2HB ALA 59 HB2 ALA 59 1.157 9.293 8.553 408 3HB ALA 59 HB1 ALA 59 -0.103 10.023 7.558 409 H ASP 60 HN ASP 60 1.033 7.477 9.304 410 HA ASP 60 HA ASP 60 2.727 5.148 8.613 411 1HB ASP 60 HB1 ASP 60 3.640 6.686 10.301 412 2HB ASP 60 HB2 ASP 60 2.173 6.522 11.267 413 H LYS 61 HN LYS 61 -0.107 5.174 8.144 414 HA LYS 61 HA LYS 61 -1.092 3.248 10.167 415 1HB LYS 61 HB1 LYS 61 -2.524 5.205 9.895 416 2HB LYS 61 HB2 LYS 61 -2.603 4.919 8.156 417 1HG LYS 61 HG1 LYS 61 -4.564 4.064 9.599 418 2HG LYS 61 HG2 LYS 61 -3.878 2.944 8.428 419 1HD LYS 61 HD1 LYS 61 -4.181 1.796 10.560 420 2HD LYS 61 HD2 LYS 61 -2.456 1.990 10.251 421 1HE LYS 61 HE1 LYS 61 -2.858 2.610 12.551 422 2HE LYS 61 HE2 LYS 61 -2.540 4.095 11.654 423 1HZ LYS 61 HZ3 LYS 61 -4.934 4.428 11.454 424 2HZ LYS 61 HZ1 LYS 61 -5.218 3.021 12.357 425 3HZ LYS 61 HZ2 LYS 61 -4.455 4.354 13.083 426 H CYS 62 HN CYS 62 0.336 3.349 7.188 427 HA CYS 62 HA CYS 62 -1.197 1.608 5.578 428 1HB CYS 62 HB1 CYS 62 1.822 1.807 5.816 429 2HB CYS 62 HB2 CYS 62 0.970 0.976 4.523 430 H ASN 63 HN ASN 63 1.517 0.739 7.744 431 HA ASN 63 HA ASN 63 0.418 -2.024 7.853 432 1HB ASN 63 HB1 ASN 63 2.741 -2.520 8.841 433 2HB ASN 63 HB2 ASN 63 2.678 -2.111 7.127 434 1HD2 ASN 63 HD22 ASN 63 4.561 0.383 9.744 435 2HD2 ASN 63 HD21 ASN 63 3.747 -1.002 10.294 436 H THR 64 HN THR 64 -1.184 -1.467 9.477 437 HA THR 64 HA THR 64 -0.096 -1.587 12.199 438 HB THR 64 HB THR 64 -2.012 0.550 12.224 439 HG1 THR 64 HG1 THR 64 -0.174 1.911 11.161 440 1HG2 THR 64 HG22 THR 64 0.891 0.160 12.939 441 2HG2 THR 64 HG21 THR 64 0.052 1.683 13.231 442 3HG2 THR 64 HG23 THR 64 -0.500 0.206 14.022 443 H TYR 65 HN TYR 65 -1.888 -1.892 13.795 444 HA TYR 65 HA TYR 65 -3.629 -3.878 13.252 445 1HB TYR 65 HB1 TYR 65 -3.238 -2.701 15.483 446 2HB TYR 65 HB2 TYR 65 -4.485 -1.559 14.985 447 HD1 TYR 65 HD2 TYR 65 -3.806 -5.169 15.619 448 HD2 TYR 65 HD1 TYR 65 -6.793 -2.119 15.121 449 HE1 TYR 65 HE2 TYR 65 -5.558 -6.764 16.353 450 HE2 TYR 65 HE1 TYR 65 -8.545 -3.714 15.857 451 HH TYR 65 HH TYR 65 -8.724 -5.769 17.170 452 HA PRO 66 HA PRO 66 -6.590 -2.148 10.441 453 1HB PRO 66 HB1 PRO 66 -8.432 -4.188 10.560 454 2HB PRO 66 HB2 PRO 66 -6.916 -4.284 9.648 455 1HG PRO 66 HG1 PRO 66 -7.659 -5.572 12.237 456 2HG PRO 66 HG2 PRO 66 -6.473 -6.090 11.029 457 1HD PRO 66 HD1 PRO 66 -5.934 -4.762 13.488 458 2HD PRO 66 HD2 PRO 66 -4.779 -5.053 12.171 No H/Q in entry = 458 Start of MODEL 13 1 1H ARG 1 HT2 ARG 1 1.951 15.282 -0.509 2 2H ARG 1 HT3 ARG 1 2.844 15.436 -1.946 3 3H ARG 1 HT1 ARG 1 1.172 15.162 -2.015 4 HA ARG 1 HA ARG 1 1.465 12.989 -1.992 5 1HB ARG 1 HB1 ARG 1 3.556 12.185 -2.643 6 2HB ARG 1 HB2 ARG 1 3.668 13.882 -3.092 7 1HG ARG 1 HG1 ARG 1 4.683 12.719 -0.480 8 2HG ARG 1 HG2 ARG 1 5.695 13.090 -1.877 9 1HD ARG 1 HD1 ARG 1 3.968 15.105 -0.403 10 2HD ARG 1 HD2 ARG 1 5.707 14.918 -0.177 11 HE ARG 1 HE ARG 1 4.559 15.636 -2.844 12 1HH1 ARG 1 HH11 ARG 1 7.539 15.139 -1.835 13 2HH1 ARG 1 HH12 ARG 1 8.115 16.771 -1.904 14 1HH2 ARG 1 HH21 ARG 1 4.954 18.155 -2.240 15 2HH2 ARG 1 HH22 ARG 1 6.652 18.477 -2.133 16 H GLU 2 HN GLU 2 1.231 11.386 -0.462 17 HA GLU 2 HA GLU 2 2.663 11.699 2.122 18 1HB GLU 2 HB1 GLU 2 -0.238 12.040 1.676 19 2HB GLU 2 HB2 GLU 2 0.193 10.989 3.025 20 1HG GLU 2 HG1 GLU 2 0.240 13.043 4.095 21 2HG GLU 2 HG2 GLU 2 1.913 12.957 3.540 22 H CYS 3 HN CYS 3 3.757 9.757 1.148 23 HA CYS 3 HA CYS 3 2.386 7.329 2.065 24 1HB CYS 3 HB1 CYS 3 3.409 7.506 -0.779 25 2HB CYS 3 HB2 CYS 3 2.673 6.098 -0.018 26 H TYR 4 HN TYR 4 5.249 8.832 0.698 27 HA TYR 4 HA TYR 4 7.364 7.182 0.759 28 1HB TYR 4 HB1 TYR 4 8.377 8.966 2.532 29 2HB TYR 4 HB2 TYR 4 8.198 9.299 0.810 30 HD1 TYR 4 HD1 TYR 4 5.673 9.051 3.568 31 HD2 TYR 4 HD2 TYR 4 7.505 11.567 0.604 32 HE1 TYR 4 HE1 TYR 4 4.064 10.858 4.109 33 HE2 TYR 4 HE2 TYR 4 5.894 13.374 1.146 34 HH TYR 4 HH TYR 4 4.006 13.381 3.913 35 H LEU 5 HN LEU 5 6.689 5.259 2.093 36 HA LEU 5 HA LEU 5 7.663 5.552 4.787 37 1HB LEU 5 HB1 LEU 5 4.867 4.864 4.088 38 2HB LEU 5 HB2 LEU 5 5.546 4.445 5.645 39 HG LEU 5 HG LEU 5 5.442 7.245 4.445 40 1HD1 LEU 5 HD11 LEU 5 3.525 5.684 5.987 41 2HD1 LEU 5 HD13 LEU 5 4.005 7.143 6.854 42 3HD1 LEU 5 HD12 LEU 5 3.327 7.265 5.230 43 1HD2 LEU 5 HD23 LEU 5 6.419 6.164 7.110 44 2HD2 LEU 5 HD21 LEU 5 7.360 7.031 5.896 45 3HD2 LEU 5 HD22 LEU 5 6.111 7.875 6.811 46 H ASN 6 HN ASN 6 5.564 3.055 3.460 47 HA ASN 6 HA ASN 6 6.718 0.793 4.402 48 1HB ASN 6 HB1 ASN 6 4.962 1.321 2.341 49 2HB ASN 6 HB2 ASN 6 6.299 0.529 1.506 50 1HD2 ASN 6 HD22 ASN 6 4.525 -2.428 2.504 51 2HD2 ASN 6 HD21 ASN 6 4.749 -1.343 1.218 52 HA PRO 7 HA PRO 7 10.870 0.657 2.967 53 1HB PRO 7 HB1 PRO 7 11.315 -2.022 3.430 54 2HB PRO 7 HB2 PRO 7 11.292 -0.793 4.707 55 1HG PRO 7 HG1 PRO 7 9.231 -2.844 4.001 56 2HG PRO 7 HG2 PRO 7 9.565 -2.086 5.566 57 1HD PRO 7 HD1 PRO 7 7.455 -1.411 3.795 58 2HD PRO 7 HD2 PRO 7 7.997 -0.446 5.185 59 H HIS 8 HN HIS 8 8.273 -0.593 1.344 60 HA HIS 8 HA HIS 8 9.885 -2.019 -0.692 61 1HB HIS 8 HB1 HIS 8 6.910 -1.630 -0.853 62 2HB HIS 8 HB2 HIS 8 7.886 -2.964 -1.466 63 HD1 HIS 8 HD1 HIS 8 5.368 -3.102 0.587 64 HD2 HIS 8 HD2 HIS 8 9.402 -3.546 1.537 65 HE1 HIS 8 HE1 HIS 8 5.448 -4.513 2.681 66 H ASP 9 HN ASP 9 10.285 0.756 -0.436 67 HA ASP 9 HA ASP 9 10.669 2.482 -2.009 68 1HB ASP 9 HB1 ASP 9 9.943 0.427 -3.661 69 2HB ASP 9 HB2 ASP 9 8.652 1.590 -3.969 70 H THR 10 HN THR 10 7.245 1.396 -1.822 71 HA THR 10 HA THR 10 5.331 2.641 -1.282 72 HB THR 10 HB THR 10 6.865 5.070 -0.527 73 HG1 THR 10 HG1 THR 10 8.338 3.808 0.334 74 1HG2 THR 10 HG22 THR 10 4.431 3.675 0.203 75 2HG2 THR 10 HG21 THR 10 5.399 4.022 1.635 76 3HG2 THR 10 HG23 THR 10 4.912 5.331 0.559 77 H GLN 11 HN GLN 11 4.360 4.975 -1.884 78 HA GLN 11 HA GLN 11 5.644 6.193 -4.187 79 1HB GLN 11 HB1 GLN 11 4.601 4.403 -5.378 80 2HB GLN 11 HB2 GLN 11 3.107 4.580 -4.460 81 1HG GLN 11 HG1 GLN 11 2.468 6.496 -5.617 82 2HG GLN 11 HG2 GLN 11 4.128 6.919 -6.035 83 1HE2 GLN 11 HE22 GLN 11 2.500 5.562 -9.113 84 2HE2 GLN 11 HE21 GLN 11 2.231 6.895 -8.097 85 H THR 12 HN THR 12 5.528 8.126 -3.041 86 HA THR 12 HA THR 12 3.264 9.105 -1.672 87 HB THR 12 HB THR 12 4.457 11.083 -1.423 88 HG1 THR 12 HG1 THR 12 6.110 10.668 -3.624 89 1HG2 THR 12 HG21 THR 12 5.784 8.745 -1.086 90 2HG2 THR 12 HG23 THR 12 6.873 9.566 -2.203 91 3HG2 THR 12 HG22 THR 12 6.461 10.316 -0.662 92 H CYS 13 HN CYS 13 1.821 10.858 -2.323 93 HA CYS 13 HA CYS 13 1.279 10.862 -5.267 94 1HB CYS 13 HB1 CYS 13 -0.398 9.838 -3.550 95 2HB CYS 13 HB2 CYS 13 -0.741 11.514 -3.128 96 HA PRO 14 HA PRO 14 2.394 15.160 -4.008 97 1HB PRO 14 HB1 PRO 14 4.103 15.576 -6.126 98 2HB PRO 14 HB2 PRO 14 4.602 14.885 -4.573 99 1HG PRO 14 HG1 PRO 14 4.170 13.533 -7.207 100 2HG PRO 14 HG2 PRO 14 5.238 13.069 -5.872 101 1HD PRO 14 HD1 PRO 14 2.707 11.929 -6.478 102 2HD PRO 14 HD2 PRO 14 3.628 11.695 -4.977 103 H SER 15 HN SER 15 1.808 13.972 -7.347 104 HA SER 15 HA SER 15 0.498 16.559 -7.996 105 1HB SER 15 HB1 SER 15 2.159 14.973 -9.477 106 2HB SER 15 HB2 SER 15 0.582 14.434 -10.046 107 HG SER 15 HG SER 15 0.518 16.181 -11.167 108 H GLY 16 HN GLY 16 -1.705 16.737 -8.199 109 1HA GLY 16 HA1 GLY 16 -3.945 16.087 -7.786 110 2HA GLY 16 HA2 GLY 16 -3.587 14.901 -9.044 111 H GLN 17 HN GLN 17 -3.549 15.456 -5.539 112 HA GLN 17 HA GLN 17 -3.672 12.490 -5.209 113 1HB GLN 17 HB1 GLN 17 -2.236 12.646 -3.260 114 2HB GLN 17 HB2 GLN 17 -1.425 13.397 -4.636 115 1HG GLN 17 HG1 GLN 17 -1.222 15.285 -3.421 116 2HG GLN 17 HG2 GLN 17 -2.980 15.427 -3.424 117 1HE2 GLN 17 HE22 GLN 17 -3.297 14.501 -0.033 118 2HE2 GLN 17 HE21 GLN 17 -4.072 15.023 -1.450 119 H GLU 18 HN GLU 18 -4.916 11.754 -3.472 120 HA GLU 18 HA GLU 18 -6.371 13.754 -1.840 121 1HB GLU 18 HB1 GLU 18 -7.654 11.695 -3.655 122 2HB GLU 18 HB2 GLU 18 -8.514 12.452 -2.315 123 1HG GLU 18 HG1 GLU 18 -7.776 14.697 -3.361 124 2HG GLU 18 HG2 GLU 18 -7.391 13.752 -4.800 125 H ILE 19 HN ILE 19 -5.827 10.309 -2.572 126 HA ILE 19 HA ILE 19 -5.692 9.789 0.363 127 HB ILE 19 HB ILE 19 -6.948 7.944 -1.656 128 1HG1 ILE 19 HG11 ILE 19 -8.007 10.382 -0.499 129 2HG1 ILE 19 HG12 ILE 19 -8.744 9.315 -1.685 130 1HG2 ILE 19 HG21 ILE 19 -6.859 8.032 1.373 131 2HG2 ILE 19 HG22 ILE 19 -7.928 6.955 0.468 132 3HG2 ILE 19 HG23 ILE 19 -6.175 6.797 0.315 133 1HD1 ILE 19 HD13 ILE 19 -9.540 7.850 0.158 134 2HD1 ILE 19 HD11 ILE 19 -8.830 8.960 1.329 135 3HD1 ILE 19 HD12 ILE 19 -10.169 9.491 0.310 136 H CYS 20 HN CYS 20 -4.534 7.827 0.847 137 HA CYS 20 HA CYS 20 -2.595 7.001 -1.285 138 1HB CYS 20 HB1 CYS 20 -1.543 8.432 0.515 139 2HB CYS 20 HB2 CYS 20 -2.011 7.207 1.692 140 H TYR 21 HN TYR 21 -3.013 4.853 -1.757 141 HA TYR 21 HA TYR 21 -4.369 3.292 0.384 142 1HB TYR 21 HB1 TYR 21 -5.254 1.887 -1.257 143 2HB TYR 21 HB2 TYR 21 -5.217 3.439 -2.084 144 HD1 TYR 21 HD2 TYR 21 -2.136 3.485 -2.498 145 HD2 TYR 21 HD1 TYR 21 -5.144 0.503 -3.212 146 HE1 TYR 21 HE2 TYR 21 -0.726 2.487 -4.275 147 HE2 TYR 21 HE1 TYR 21 -3.730 -0.497 -4.987 148 HH TYR 21 HH TYR 21 -1.820 0.451 -6.565 149 H VAL 22 HN VAL 22 -3.614 1.121 0.885 150 HA VAL 22 HA VAL 22 -0.719 0.761 0.226 151 HB VAL 22 HB VAL 22 -0.258 0.096 2.484 152 1HG1 VAL 22 HG11 VAL 22 -2.089 2.517 2.446 153 2HG1 VAL 22 HG13 VAL 22 -1.029 2.100 3.791 154 3HG1 VAL 22 HG12 VAL 22 -0.339 2.519 2.223 155 1HG2 VAL 22 HG22 VAL 22 -3.242 -0.057 2.657 156 2HG2 VAL 22 HG21 VAL 22 -2.029 -1.208 3.218 157 3HG2 VAL 22 HG23 VAL 22 -2.321 0.278 4.123 158 H LYS 23 HN LYS 23 -0.742 -0.959 -1.146 159 HA LYS 23 HA LYS 23 -2.598 -3.212 -0.554 160 1HB LYS 23 HB1 LYS 23 -2.509 -2.131 -2.866 161 2HB LYS 23 HB2 LYS 23 -0.904 -2.843 -3.033 162 1HG LYS 23 HG1 LYS 23 -1.730 -4.984 -3.194 163 2HG LYS 23 HG2 LYS 23 -3.091 -4.652 -2.123 164 1HD LYS 23 HD1 LYS 23 -4.119 -4.877 -4.229 165 2HD LYS 23 HD2 LYS 23 -3.935 -3.130 -4.067 166 1HE LYS 23 HE1 LYS 23 -2.385 -3.018 -5.735 167 2HE LYS 23 HE2 LYS 23 -1.606 -4.521 -5.240 168 1HZ LYS 23 HZ1 LYS 23 -3.429 -5.753 -6.237 169 2HZ LYS 23 HZ2 LYS 23 -4.175 -4.303 -6.715 170 3HZ LYS 23 HZ3 LYS 23 -2.681 -4.755 -7.387 171 H SER 24 HN SER 24 -1.781 -5.095 0.251 172 HA SER 24 HA SER 24 1.154 -5.538 -0.017 173 1HB SER 24 HB1 SER 24 -0.552 -5.653 2.471 174 2HB SER 24 HB2 SER 24 0.984 -6.508 2.366 175 HG SER 24 HG SER 24 1.044 -4.291 3.213 176 H TRP 25 HN TRP 25 1.064 -7.263 -1.460 177 HA TRP 25 HA TRP 25 -0.494 -9.643 -0.500 178 1HB TRP 25 HB1 TRP 25 -0.920 -10.238 -2.819 179 2HB TRP 25 HB2 TRP 25 -1.458 -8.578 -2.549 180 HD1 TRP 25 HD1 TRP 25 1.004 -10.608 -4.534 181 HE1 TRP 25 HE1 TRP 25 2.343 -9.020 -6.071 182 HE3 TRP 25 HE3 TRP 25 -0.430 -6.184 -2.568 183 HZ2 TRP 25 HZ2 TRP 25 2.751 -6.176 -6.382 184 HZ3 TRP 25 HZ3 TRP 25 0.426 -4.079 -3.434 185 HH2 TRP 25 HH2 TRP 25 2.017 -4.031 -5.352 186 H CYS 26 HN CYS 26 0.523 -11.663 -0.759 187 HA CYS 26 HA CYS 26 3.265 -11.719 -1.887 188 1HB CYS 26 HB1 CYS 26 4.030 -11.430 0.259 189 2HB CYS 26 HB2 CYS 26 2.532 -11.990 0.986 190 H ASN 27 HN ASN 27 4.001 -14.061 -2.072 191 HA ASN 27 HA ASN 27 1.628 -15.793 -2.601 192 1HB ASN 27 HB1 ASN 27 4.041 -15.202 -4.099 193 2HB ASN 27 HB2 ASN 27 3.904 -16.936 -3.801 194 1HD2 ASN 27 HD22 ASN 27 1.956 -16.266 -6.887 195 2HD2 ASN 27 HD21 ASN 27 3.589 -16.214 -6.427 196 H ALA 28 HN ALA 28 2.942 -18.257 -2.718 197 HA ALA 28 HA ALA 28 3.431 -18.700 0.153 198 1HB ALA 28 HB1 ALA 28 2.026 -20.170 -1.551 199 2HB ALA 28 HB3 ALA 28 3.600 -20.897 -1.870 200 3HB ALA 28 HB2 ALA 28 2.929 -20.928 -0.240 201 H TRP 29 HN TRP 29 5.438 -17.354 -1.696 202 HA TRP 29 HA TRP 29 7.705 -19.208 -1.112 203 1HB TRP 29 HB1 TRP 29 7.438 -17.393 -3.491 204 2HB TRP 29 HB2 TRP 29 8.750 -18.501 -3.159 205 HD1 TRP 29 HD1 TRP 29 4.871 -18.881 -3.239 206 HE1 TRP 29 HE1 TRP 29 4.357 -21.053 -4.549 207 HE3 TRP 29 HE3 TRP 29 9.579 -20.312 -4.318 208 HZ2 TRP 29 HZ2 TRP 29 5.816 -23.149 -5.895 209 HZ3 TRP 29 HZ3 TRP 29 10.046 -22.398 -5.616 210 HH2 TRP 29 HH2 TRP 29 8.159 -23.815 -6.400 211 H CYS 30 HN CYS 30 6.417 -16.316 -0.156 212 HA CYS 30 HA CYS 30 8.700 -14.581 -0.297 213 1HB CYS 30 HB1 CYS 30 6.502 -14.467 1.765 214 2HB CYS 30 HB2 CYS 30 7.493 -13.151 1.160 215 H SER 31 HN SER 31 8.807 -17.449 1.186 216 HA SER 31 HA SER 31 9.329 -17.188 3.879 217 1HB SER 31 HB1 SER 31 9.810 -19.152 2.074 218 2HB SER 31 HB2 SER 31 11.459 -18.608 2.371 219 HG SER 31 HG SER 31 10.611 -18.686 4.711 220 H SER 32 HN SER 32 10.112 -15.140 4.443 221 HA SER 32 HA SER 32 11.640 -13.358 4.590 222 1HB SER 32 HB1 SER 32 13.781 -15.448 4.586 223 2HB SER 32 HB2 SER 32 13.643 -14.001 5.579 224 HG SER 32 HG SER 32 11.995 -16.300 5.751 225 H ARG 33 HN ARG 33 11.180 -12.847 2.353 226 HA ARG 33 HA ARG 33 13.679 -12.900 0.752 227 1HB ARG 33 HB1 ARG 33 11.691 -14.647 0.111 228 2HB ARG 33 HB2 ARG 33 11.216 -13.247 -0.851 229 1HG ARG 33 HG1 ARG 33 13.179 -13.282 -2.110 230 2HG ARG 33 HG2 ARG 33 14.087 -14.128 -0.856 231 1HD ARG 33 HD1 ARG 33 12.231 -16.008 -1.378 232 2HD ARG 33 HD2 ARG 33 12.272 -15.217 -2.954 233 HE ARG 33 HE ARG 33 14.451 -16.777 -1.748 234 1HH1 ARG 33 HH21 ARG 33 15.270 -13.986 -2.865 235 2HH1 ARG 33 HH22 ARG 33 15.811 -14.444 -4.447 236 1HH2 ARG 33 HH11 ARG 33 14.358 -17.589 -4.322 237 2HH2 ARG 33 HH12 ARG 33 15.295 -16.484 -5.270 238 H GLY 34 HN GLY 34 10.354 -11.831 -0.029 239 1HA GLY 34 HA1 GLY 34 10.557 -9.124 0.615 240 2HA GLY 34 HA2 GLY 34 11.332 -9.271 -0.963 241 H LYS 35 HN LYS 35 8.298 -9.917 0.776 242 HA LYS 35 HA LYS 35 6.620 -10.767 -1.272 243 1HB LYS 35 HB1 LYS 35 5.881 -8.606 0.723 244 2HB LYS 35 HB2 LYS 35 4.792 -9.756 -0.053 245 1HG LYS 35 HG1 LYS 35 5.140 -11.147 1.691 246 2HG LYS 35 HG2 LYS 35 6.813 -11.311 1.157 247 1HD LYS 35 HD1 LYS 35 7.581 -9.695 2.658 248 2HD LYS 35 HD2 LYS 35 6.005 -8.914 2.779 249 1HE LYS 35 HE1 LYS 35 5.145 -10.926 3.979 250 2HE LYS 35 HE2 LYS 35 6.764 -11.621 3.921 251 1HZ LYS 35 HZ2 LYS 35 7.584 -9.696 5.145 252 2HZ LYS 35 HZ3 LYS 35 6.010 -9.064 5.228 253 3HZ LYS 35 HZ1 LYS 35 6.381 -10.516 6.021 254 H VAL 36 HN VAL 36 4.953 -9.358 -2.468 255 HA VAL 36 HA VAL 36 6.393 -7.072 -3.735 256 HB VAL 36 HB VAL 36 3.826 -7.905 -4.916 257 1HG1 VAL 36 HG11 VAL 36 5.719 -6.405 -5.847 258 2HG1 VAL 36 HG13 VAL 36 6.557 -7.918 -6.191 259 3HG1 VAL 36 HG12 VAL 36 4.996 -7.585 -6.940 260 1HG2 VAL 36 HG23 VAL 36 6.046 -9.883 -4.471 261 2HG2 VAL 36 HG22 VAL 36 4.301 -10.137 -4.402 262 3HG2 VAL 36 HG21 VAL 36 5.105 -9.954 -5.962 263 H LEU 37 HN LEU 37 5.796 -5.962 -1.623 264 HA LEU 37 HA LEU 37 2.960 -5.092 -1.531 265 1HB LEU 37 HB1 LEU 37 5.240 -5.217 0.425 266 2HB LEU 37 HB2 LEU 37 3.809 -4.258 0.761 267 HG LEU 37 HG LEU 37 2.494 -6.106 1.072 268 1HD1 LEU 37 HD13 LEU 37 2.853 -6.924 -1.292 269 2HD1 LEU 37 HD12 LEU 37 4.286 -7.772 -0.720 270 3HD1 LEU 37 HD11 LEU 37 2.693 -8.221 -0.111 271 1HD2 LEU 37 HD22 LEU 37 5.306 -6.773 1.719 272 2HD2 LEU 37 HD23 LEU 37 3.906 -6.636 2.782 273 3HD2 LEU 37 HD21 LEU 37 4.133 -8.086 1.806 274 H GLU 38 HN GLU 38 2.491 -3.027 -2.194 275 HA GLU 38 HA GLU 38 4.553 -0.931 -1.838 276 1HB GLU 38 HB1 GLU 38 3.719 -0.148 -4.257 277 2HB GLU 38 HB2 GLU 38 5.105 -1.217 -4.044 278 1HG GLU 38 HG1 GLU 38 2.508 -2.612 -4.112 279 2HG GLU 38 HG2 GLU 38 2.918 -1.784 -5.615 280 H PHE 39 HN PHE 39 3.671 1.150 -1.600 281 HA PHE 39 HA PHE 39 0.709 1.244 -1.411 282 1HB PHE 39 HB1 PHE 39 2.714 2.972 0.066 283 2HB PHE 39 HB2 PHE 39 0.970 2.943 0.315 284 HD1 PHE 39 HD1 PHE 39 1.026 -0.245 -0.201 285 HD2 PHE 39 HD2 PHE 39 2.995 2.451 2.508 286 HE1 PHE 39 HE1 PHE 39 1.290 -2.087 1.441 287 HE2 PHE 39 HE2 PHE 39 3.259 0.609 4.148 288 HZ PHE 39 HZ PHE 39 2.407 -1.660 3.616 289 H GLY 40 HN GLY 40 -0.321 3.119 -2.350 290 1HA GLY 40 HA1 GLY 40 1.457 5.036 -3.740 291 2HA GLY 40 HA2 GLY 40 0.350 4.096 -4.735 292 H CYS 41 HN CYS 41 -0.942 5.806 -5.395 293 HA CYS 41 HA CYS 41 -2.172 7.560 -3.356 294 1HB CYS 41 HB1 CYS 41 -1.161 8.233 -5.687 295 2HB CYS 41 HB2 CYS 41 -2.697 7.679 -6.313 296 H ALA 42 HN ALA 42 -4.573 8.041 -4.144 297 HA ALA 42 HA ALA 42 -6.194 6.050 -5.294 298 1HB ALA 42 HB1 ALA 42 -5.121 5.170 -2.845 299 2HB ALA 42 HB3 ALA 42 -6.800 5.588 -2.504 300 3HB ALA 42 HB2 ALA 42 -6.421 4.416 -3.766 301 H ALA 43 HN ALA 43 -8.527 6.189 -4.387 302 HA ALA 43 HA ALA 43 -9.086 9.032 -3.727 303 1HB ALA 43 HB2 ALA 43 -10.333 7.050 -5.538 304 2HB ALA 43 HB1 ALA 43 -11.457 8.067 -4.637 305 3HB ALA 43 HB3 ALA 43 -10.243 8.806 -5.681 306 H THR 44 HN THR 44 -9.983 5.674 -2.972 307 HA THR 44 HA THR 44 -10.762 6.513 -0.278 308 HB THR 44 HB THR 44 -12.850 6.922 -1.495 309 HG1 THR 44 HG1 THR 44 -13.795 6.071 0.153 310 1HG2 THR 44 HG22 THR 44 -12.207 5.259 -3.342 311 2HG2 THR 44 HG21 THR 44 -12.844 4.007 -2.275 312 3HG2 THR 44 HG23 THR 44 -13.903 5.290 -2.859 313 H CYS 45 HN CYS 45 -10.712 4.775 1.170 314 HA CYS 45 HA CYS 45 -9.035 2.704 0.901 315 1HB CYS 45 HB1 CYS 45 -10.396 3.454 2.921 316 2HB CYS 45 HB2 CYS 45 -11.653 2.373 2.332 317 HA PRO 46 HA PRO 46 -11.356 0.368 -2.235 318 1HB PRO 46 HB1 PRO 46 -9.146 -0.933 -3.234 319 2HB PRO 46 HB2 PRO 46 -9.654 0.684 -3.749 320 1HG PRO 46 HG1 PRO 46 -7.375 -0.122 -2.002 321 2HG PRO 46 HG2 PRO 46 -7.569 1.336 -2.987 322 1HD PRO 46 HD1 PRO 46 -7.937 1.109 -0.168 323 2HD PRO 46 HD2 PRO 46 -8.344 2.508 -1.182 324 H SER 47 HN SER 47 -11.497 -2.069 -2.629 325 HA SER 47 HA SER 47 -10.506 -3.660 -0.310 326 1HB SER 47 HB1 SER 47 -12.643 -4.600 0.123 327 2HB SER 47 HB2 SER 47 -12.940 -2.872 -0.047 328 HG SER 47 HG SER 47 -14.423 -3.968 -1.299 329 H VAL 48 HN VAL 48 -8.969 -4.490 -1.919 330 HA VAL 48 HA VAL 48 -10.225 -6.284 -3.939 331 HB VAL 48 HB VAL 48 -7.561 -4.944 -3.826 332 1HG1 VAL 48 HG11 VAL 48 -8.314 -7.483 -5.114 333 2HG1 VAL 48 HG13 VAL 48 -7.534 -6.321 -6.186 334 3HG1 VAL 48 HG12 VAL 48 -6.713 -6.858 -4.721 335 1HG2 VAL 48 HG22 VAL 48 -10.056 -4.495 -5.165 336 2HG2 VAL 48 HG21 VAL 48 -8.592 -3.512 -5.222 337 3HG2 VAL 48 HG23 VAL 48 -8.811 -4.835 -6.367 338 H ASN 49 HN ASN 49 -10.551 -8.121 -2.625 339 HA ASN 49 HA ASN 49 -8.376 -9.121 -0.977 340 1HB ASN 49 HB1 ASN 49 -10.685 -9.344 -0.188 341 2HB ASN 49 HB2 ASN 49 -11.087 -10.307 -1.611 342 1HD2 ASN 49 HD22 ASN 49 -8.291 -12.134 0.769 343 2HD2 ASN 49 HD21 ASN 49 -8.029 -10.549 0.221 344 H THR 50 HN THR 50 -8.295 -9.046 -4.074 345 HA THR 50 HA THR 50 -8.282 -11.810 -4.929 346 HB THR 50 HB THR 50 -8.488 -9.912 -6.520 347 HG1 THR 50 HG1 THR 50 -7.327 -12.056 -6.923 348 1HG2 THR 50 HG22 THR 50 -6.492 -8.763 -5.056 349 2HG2 THR 50 HG21 THR 50 -5.590 -9.346 -6.456 350 3HG2 THR 50 HG23 THR 50 -6.950 -8.244 -6.678 351 H GLY 51 HN GLY 51 -7.001 -12.822 -3.211 352 1HA GLY 51 HA1 GLY 51 -4.990 -13.492 -2.176 353 2HA GLY 51 HA2 GLY 51 -4.333 -13.371 -3.811 354 H THR 52 HN THR 52 -5.687 -10.544 -2.318 355 HA THR 52 HA THR 52 -3.000 -9.554 -1.526 356 HB THR 52 HB THR 52 -4.879 -8.252 -3.517 357 HG1 THR 52 HG1 THR 52 -2.767 -8.173 -4.630 358 1HG2 THR 52 HG23 THR 52 -3.011 -7.062 -1.597 359 2HG2 THR 52 HG22 THR 52 -2.667 -6.610 -3.266 360 3HG2 THR 52 HG21 THR 52 -4.259 -6.291 -2.577 361 H GLU 53 HN GLU 53 -3.121 -7.887 0.085 362 HA GLU 53 HA GLU 53 -5.860 -7.520 1.209 363 1HB GLU 53 HB1 GLU 53 -4.667 -7.116 3.394 364 2HB GLU 53 HB2 GLU 53 -4.492 -8.756 2.771 365 1HG GLU 53 HG1 GLU 53 -2.255 -8.513 2.453 366 2HG GLU 53 HG2 GLU 53 -2.436 -6.884 1.805 367 H ILE 54 HN ILE 54 -6.555 -5.499 0.599 368 HA ILE 54 HA ILE 54 -4.548 -3.336 0.400 369 HB ILE 54 HB ILE 54 -7.007 -3.999 -0.964 370 1HG1 ILE 54 HG11 ILE 54 -4.766 -3.339 -1.912 371 2HG1 ILE 54 HG12 ILE 54 -6.130 -2.463 -2.606 372 1HG2 ILE 54 HG23 ILE 54 -6.904 -1.275 0.349 373 2HG2 ILE 54 HG22 ILE 54 -7.900 -1.625 -1.063 374 3HG2 ILE 54 HG21 ILE 54 -8.193 -2.470 0.458 375 1HD1 ILE 54 HD11 ILE 54 -4.392 -1.438 -0.341 376 2HD1 ILE 54 HD12 ILE 54 -4.224 -0.960 -2.029 377 3HD1 ILE 54 HD13 ILE 54 -5.693 -0.556 -1.140 378 H LYS 55 HN LYS 55 -5.028 -1.265 1.457 379 HA LYS 55 HA LYS 55 -6.967 -1.353 3.678 380 1HB LYS 55 HB1 LYS 55 -4.006 -1.454 3.999 381 2HB LYS 55 HB2 LYS 55 -4.901 -0.408 5.102 382 1HG LYS 55 HG1 LYS 55 -6.280 -2.923 4.815 383 2HG LYS 55 HG2 LYS 55 -4.596 -3.222 5.250 384 1HD LYS 55 HD1 LYS 55 -5.120 -2.688 7.377 385 2HD LYS 55 HD2 LYS 55 -5.433 -1.038 6.835 386 1HE LYS 55 HE1 LYS 55 -7.638 -1.312 7.200 387 2HE LYS 55 HE2 LYS 55 -7.665 -2.705 6.119 388 1HZ LYS 55 HZ1 LYS 55 -6.426 -3.527 8.458 389 2HZ LYS 55 HZ2 LYS 55 -7.799 -2.649 8.936 390 3HZ LYS 55 HZ3 LYS 55 -7.959 -3.978 7.889 391 H CYS 56 HN CYS 56 -6.844 0.852 4.869 392 HA CYS 56 HA CYS 56 -6.650 2.949 2.766 393 1HB CYS 56 HB1 CYS 56 -7.760 3.836 5.315 394 2HB CYS 56 HB2 CYS 56 -8.479 3.895 3.710 395 H CYS 57 HN CYS 57 -5.081 4.491 2.900 396 HA CYS 57 HA CYS 57 -3.733 4.923 5.513 397 1HB CYS 57 HB1 CYS 57 -2.433 3.209 4.290 398 2HB CYS 57 HB2 CYS 57 -2.283 4.310 2.923 399 H SER 58 HN SER 58 -2.968 7.020 5.767 400 HA SER 58 HA SER 58 -3.149 8.786 3.394 401 1HB SER 58 HB1 SER 58 -5.200 9.001 4.846 402 2HB SER 58 HB2 SER 58 -4.145 9.574 6.135 403 HG SER 58 HG SER 58 -5.143 11.214 4.719 404 H ALA 59 HN ALA 59 -1.361 7.691 5.985 405 HA ALA 59 HA ALA 59 0.784 9.566 5.392 406 1HB ALA 59 HB3 ALA 59 -0.593 9.694 8.091 407 2HB ALA 59 HB2 ALA 59 0.940 10.477 7.706 408 3HB ALA 59 HB1 ALA 59 -0.539 10.981 6.886 409 H ASP 60 HN ASP 60 1.031 8.673 8.607 410 HA ASP 60 HA ASP 60 2.674 6.317 7.883 411 1HB ASP 60 HB1 ASP 60 3.770 7.984 9.318 412 2HB ASP 60 HB2 ASP 60 2.436 7.897 10.469 413 H LYS 61 HN LYS 61 -0.183 6.260 7.757 414 HA LYS 61 HA LYS 61 -0.882 4.513 10.044 415 1HB LYS 61 HB1 LYS 61 -2.461 6.296 9.884 416 2HB LYS 61 HB2 LYS 61 -2.569 6.126 8.132 417 1HG LYS 61 HG1 LYS 61 -3.867 4.187 8.272 418 2HG LYS 61 HG2 LYS 61 -3.292 3.802 9.895 419 1HD LYS 61 HD1 LYS 61 -5.465 4.597 10.300 420 2HD LYS 61 HD2 LYS 61 -4.478 6.035 10.567 421 1HE LYS 61 HE1 LYS 61 -6.098 6.891 9.137 422 2HE LYS 61 HE2 LYS 61 -4.877 6.384 7.969 423 1HZ LYS 61 HZ1 LYS 61 -6.124 4.170 7.996 424 2HZ LYS 61 HZ2 LYS 61 -7.399 5.040 8.706 425 3HZ LYS 61 HZ3 LYS 61 -6.830 5.466 7.162 426 H CYS 62 HN CYS 62 0.268 4.318 6.982 427 HA CYS 62 HA CYS 62 -1.338 2.502 5.583 428 1HB CYS 62 HB1 CYS 62 1.684 2.602 5.800 429 2HB CYS 62 HB2 CYS 62 0.820 1.611 4.629 430 H ASN 63 HN ASN 63 0.997 1.810 8.183 431 HA ASN 63 HA ASN 63 0.046 -1.003 8.183 432 1HB ASN 63 HB1 ASN 63 2.028 -1.292 9.794 433 2HB ASN 63 HB2 ASN 63 2.421 -0.935 8.113 434 1HD2 ASN 63 HD22 ASN 63 4.466 1.649 9.441 435 2HD2 ASN 63 HD21 ASN 63 4.442 0.144 8.657 436 H THR 64 HN THR 64 1.393 -0.185 11.173 437 HA THR 64 HA THR 64 0.360 -0.191 13.293 438 HB THR 64 HB THR 64 -1.657 1.728 12.892 439 HG1 THR 64 HG1 THR 64 -1.057 2.747 11.173 440 1HG2 THR 64 HG21 THR 64 0.528 1.281 14.470 441 2HG2 THR 64 HG23 THR 64 1.068 2.660 13.511 442 3HG2 THR 64 HG22 THR 64 -0.408 2.775 14.469 443 H TYR 65 HN TYR 65 -0.595 -2.384 12.750 444 HA TYR 65 HA TYR 65 -3.045 -2.881 11.640 445 1HB TYR 65 HB1 TYR 65 -1.373 -4.528 12.739 446 2HB TYR 65 HB2 TYR 65 -2.307 -4.253 14.208 447 HD1 TYR 65 HD1 TYR 65 -2.844 -5.003 10.571 448 HD2 TYR 65 HD2 TYR 65 -4.158 -5.606 14.618 449 HE1 TYR 65 HE1 TYR 65 -4.575 -6.591 9.773 450 HE2 TYR 65 HE2 TYR 65 -5.890 -7.194 13.819 451 HH TYR 65 HH TYR 65 -7.165 -7.547 11.578 452 HA PRO 66 HA PRO 66 -5.259 -1.767 15.719 453 1HB PRO 66 HB1 PRO 66 -3.782 -0.462 17.639 454 2HB PRO 66 HB2 PRO 66 -3.963 -2.224 17.565 455 1HG PRO 66 HG1 PRO 66 -1.616 -0.522 16.844 456 2HG PRO 66 HG2 PRO 66 -1.653 -2.213 17.368 457 1HD PRO 66 HD1 PRO 66 -1.351 -1.265 14.704 458 2HD PRO 66 HD2 PRO 66 -1.648 -2.942 15.195 No H/Q in entry = 458 Start of MODEL 14 1 1H ARG 1 HT3 ARG 1 1.802 15.069 -1.026 2 2H ARG 1 HT1 ARG 1 2.226 15.455 -2.622 3 3H ARG 1 HT2 ARG 1 1.149 14.178 -2.317 4 HA ARG 1 HA ARG 1 3.069 13.021 -2.708 5 1HB ARG 1 HB1 ARG 1 4.241 15.556 -2.133 6 2HB ARG 1 HB2 ARG 1 5.041 14.353 -1.122 7 1HG ARG 1 HG1 ARG 1 5.941 13.251 -2.921 8 2HG ARG 1 HG2 ARG 1 4.545 13.578 -3.950 9 1HD ARG 1 HD1 ARG 1 5.276 15.849 -4.330 10 2HD ARG 1 HD2 ARG 1 6.547 15.697 -3.116 11 HE ARG 1 HE ARG 1 6.575 14.420 -5.803 12 1HH1 ARG 1 HH11 ARG 1 8.106 12.506 -4.632 13 2HH1 ARG 1 HH12 ARG 1 9.660 13.199 -4.307 14 1HH2 ARG 1 HH21 ARG 1 8.552 16.473 -4.582 15 2HH2 ARG 1 HH22 ARG 1 9.912 15.445 -4.278 16 H GLU 2 HN GLU 2 1.728 11.714 -1.218 17 HA GLU 2 HA GLU 2 2.843 11.651 1.559 18 1HB GLU 2 HB1 GLU 2 0.107 11.414 0.498 19 2HB GLU 2 HB2 GLU 2 0.537 10.135 1.635 20 1HG GLU 2 HG1 GLU 2 -0.082 11.691 3.194 21 2HG GLU 2 HG2 GLU 2 1.552 12.300 2.929 22 H CYS 3 HN CYS 3 2.753 9.317 2.476 23 HA CYS 3 HA CYS 3 3.124 6.983 2.233 24 1HB CYS 3 HB1 CYS 3 3.377 7.331 -0.752 25 2HB CYS 3 HB2 CYS 3 2.919 5.886 0.148 26 H TYR 4 HN TYR 4 4.851 8.933 -0.153 27 HA TYR 4 HA TYR 4 7.117 8.950 -0.749 28 1HB TYR 4 HB1 TYR 4 8.436 9.022 1.669 29 2HB TYR 4 HB2 TYR 4 7.729 10.418 0.859 30 HD1 TYR 4 HD1 TYR 4 5.260 10.988 1.371 31 HD2 TYR 4 HD2 TYR 4 7.585 8.280 3.764 32 HE1 TYR 4 HE1 TYR 4 3.650 11.257 3.239 33 HE2 TYR 4 HE2 TYR 4 5.974 8.550 5.633 34 HH TYR 4 HH TYR 4 2.989 10.403 5.233 35 H LEU 5 HN LEU 5 7.828 7.172 2.247 36 HA LEU 5 HA LEU 5 8.347 4.864 0.627 37 1HB LEU 5 HB1 LEU 5 10.574 5.808 2.304 38 2HB LEU 5 HB2 LEU 5 10.582 4.635 1.000 39 HG LEU 5 HG LEU 5 9.819 7.478 0.468 40 1HD1 LEU 5 HD11 LEU 5 12.626 6.341 0.480 41 2HD1 LEU 5 HD13 LEU 5 12.175 7.936 -0.122 42 3HD1 LEU 5 HD12 LEU 5 12.008 7.562 1.594 43 1HD2 LEU 5 HD21 LEU 5 9.704 5.289 -1.093 44 2HD2 LEU 5 HD22 LEU 5 10.046 6.893 -1.741 45 3HD2 LEU 5 HD23 LEU 5 11.370 5.775 -1.410 46 H ASN 6 HN ASN 6 6.642 3.992 1.988 47 HA ASN 6 HA ASN 6 6.889 3.719 4.826 48 1HB ASN 6 HB1 ASN 6 5.626 1.582 3.116 49 2HB ASN 6 HB2 ASN 6 5.069 2.245 4.653 50 1HD2 ASN 6 HD22 ASN 6 3.581 3.767 1.293 51 2HD2 ASN 6 HD21 ASN 6 4.379 2.273 1.388 52 HA PRO 7 HA PRO 7 9.767 0.355 5.078 53 1HB PRO 7 HB1 PRO 7 8.524 -1.961 5.895 54 2HB PRO 7 HB2 PRO 7 8.870 -0.587 6.957 55 1HG PRO 7 HG1 PRO 7 6.272 -1.471 5.783 56 2HG PRO 7 HG2 PRO 7 6.576 -0.547 7.263 57 1HD PRO 7 HD1 PRO 7 5.719 0.487 4.759 58 2HD PRO 7 HD2 PRO 7 6.278 1.441 6.150 59 H HIS 8 HN HIS 8 8.439 0.531 2.361 60 HA HIS 8 HA HIS 8 9.837 -1.389 0.966 61 1HB HIS 8 HB1 HIS 8 7.912 -3.069 0.462 62 2HB HIS 8 HB2 HIS 8 8.840 -3.255 1.948 63 HD1 HIS 8 HD1 HIS 8 6.382 -4.523 2.475 64 HD2 HIS 8 HD2 HIS 8 6.487 -0.355 2.532 65 HE1 HIS 8 HE1 HIS 8 4.329 -3.776 3.758 66 H ASP 9 HN ASP 9 9.824 -0.549 -1.035 67 HA ASP 9 HA ASP 9 9.084 0.376 -3.047 68 1HB ASP 9 HB1 ASP 9 6.630 -0.981 -1.995 69 2HB ASP 9 HB2 ASP 9 6.531 -0.003 -3.462 70 H THR 10 HN THR 10 5.865 1.129 -2.136 71 HA THR 10 HA THR 10 4.877 3.096 -1.284 72 HB THR 10 HB THR 10 7.458 4.621 -1.355 73 HG1 THR 10 HG1 THR 10 6.772 2.490 0.380 74 1HG2 THR 10 HG23 THR 10 4.961 4.518 0.301 75 2HG2 THR 10 HG22 THR 10 6.413 5.300 0.908 76 3HG2 THR 10 HG21 THR 10 5.664 5.878 -0.570 77 H GLN 11 HN GLN 11 4.749 5.498 -2.130 78 HA GLN 11 HA GLN 11 5.825 6.235 -4.636 79 1HB GLN 11 HB1 GLN 11 4.639 4.456 -5.689 80 2HB GLN 11 HB2 GLN 11 3.192 4.753 -4.726 81 1HG GLN 11 HG1 GLN 11 2.553 6.572 -6.003 82 2HG GLN 11 HG2 GLN 11 4.213 6.982 -6.438 83 1HE2 GLN 11 HE22 GLN 11 2.595 5.499 -9.460 84 2HE2 GLN 11 HE21 GLN 11 2.327 6.874 -8.502 85 H THR 12 HN THR 12 5.799 8.360 -3.995 86 HA THR 12 HA THR 12 3.871 9.598 -2.391 87 HB THR 12 HB THR 12 4.961 11.622 -2.851 88 HG1 THR 12 HG1 THR 12 5.167 10.495 -5.374 89 1HG2 THR 12 HG22 THR 12 6.461 9.283 -2.475 90 2HG2 THR 12 HG21 THR 12 7.329 10.189 -3.715 91 3HG2 THR 12 HG23 THR 12 6.986 10.936 -2.154 92 H CYS 13 HN CYS 13 2.152 11.050 -2.886 93 HA CYS 13 HA CYS 13 1.095 10.845 -5.677 94 1HB CYS 13 HB1 CYS 13 -0.213 9.518 -3.955 95 2HB CYS 13 HB2 CYS 13 -0.571 11.044 -3.156 96 HA PRO 14 HA PRO 14 1.571 15.274 -4.497 97 1HB PRO 14 HB1 PRO 14 2.964 15.966 -6.769 98 2HB PRO 14 HB2 PRO 14 3.734 15.391 -5.280 99 1HG PRO 14 HG1 PRO 14 3.304 13.965 -7.871 100 2HG PRO 14 HG2 PRO 14 4.549 13.698 -6.641 101 1HD PRO 14 HD1 PRO 14 2.191 12.149 -7.034 102 2HD PRO 14 HD2 PRO 14 3.296 12.050 -5.646 103 H SER 15 HN SER 15 -0.880 14.643 -5.207 104 HA SER 15 HA SER 15 -1.458 16.343 -7.581 105 1HB SER 15 HB1 SER 15 -1.601 13.597 -7.734 106 2HB SER 15 HB2 SER 15 -3.253 14.028 -7.302 107 HG SER 15 HG SER 15 -3.389 15.347 -9.063 108 H GLY 16 HN GLY 16 -4.194 16.219 -7.584 109 1HA GLY 16 HA1 GLY 16 -4.938 17.856 -5.369 110 2HA GLY 16 HA2 GLY 16 -6.077 17.071 -6.466 111 H GLN 17 HN GLN 17 -6.849 14.949 -5.908 112 HA GLN 17 HA GLN 17 -7.077 14.467 -3.064 113 1HB GLN 17 HB1 GLN 17 -8.282 12.421 -3.738 114 2HB GLN 17 HB2 GLN 17 -8.851 13.810 -4.663 115 1HG GLN 17 HG1 GLN 17 -6.738 12.877 -6.189 116 2HG GLN 17 HG2 GLN 17 -7.467 11.390 -5.582 117 1HE2 GLN 17 HE22 GLN 17 -9.526 11.893 -8.500 118 2HE2 GLN 17 HE21 GLN 17 -8.100 11.136 -7.976 119 H GLU 18 HN GLU 18 -5.048 14.059 -2.155 120 HA GLU 18 HA GLU 18 -3.364 11.963 -3.408 121 1HB GLU 18 HB1 GLU 18 -2.590 13.443 -0.917 122 2HB GLU 18 HB2 GLU 18 -1.567 12.846 -2.224 123 1HG GLU 18 HG1 GLU 18 -2.460 14.574 -3.726 124 2HG GLU 18 HG2 GLU 18 -3.531 15.149 -2.449 125 H ILE 19 HN ILE 19 -4.779 10.158 -2.792 126 HA ILE 19 HA ILE 19 -4.916 9.614 0.132 127 HB ILE 19 HB ILE 19 -6.047 7.888 -2.051 128 1HG1 ILE 19 HG12 ILE 19 -6.713 10.566 -1.798 129 2HG1 ILE 19 HG11 ILE 19 -7.750 9.331 -2.490 130 1HG2 ILE 19 HG21 ILE 19 -5.868 7.117 0.346 131 2HG2 ILE 19 HG23 ILE 19 -6.998 8.394 0.779 132 3HG2 ILE 19 HG22 ILE 19 -7.505 7.101 -0.309 133 1HD1 ILE 19 HD12 ILE 19 -7.735 10.103 0.441 134 2HD1 ILE 19 HD13 ILE 19 -8.900 10.696 -0.743 135 3HD1 ILE 19 HD11 ILE 19 -8.847 8.980 -0.342 136 H CYS 20 HN CYS 20 -4.167 7.566 0.890 137 HA CYS 20 HA CYS 20 -1.993 6.418 -0.814 138 1HB CYS 20 HB1 CYS 20 -1.416 7.762 1.376 139 2HB CYS 20 HB2 CYS 20 -1.915 6.279 2.187 140 H TYR 21 HN TYR 21 -2.593 4.410 -1.463 141 HA TYR 21 HA TYR 21 -4.362 2.839 0.347 142 1HB TYR 21 HB1 TYR 21 -5.032 1.585 -1.531 143 2HB TYR 21 HB2 TYR 21 -4.822 3.198 -2.209 144 HD1 TYR 21 HD2 TYR 21 -3.131 -0.084 -1.720 145 HD2 TYR 21 HD1 TYR 21 -3.206 3.614 -3.905 146 HE1 TYR 21 HE2 TYR 21 -1.421 -0.974 -3.279 147 HE2 TYR 21 HE1 TYR 21 -1.494 2.725 -5.465 148 HH TYR 21 HH TYR 21 0.420 0.809 -5.193 149 H VAL 22 HN VAL 22 -3.700 0.664 0.930 150 HA VAL 22 HA VAL 22 -0.776 0.209 0.500 151 HB VAL 22 HB VAL 22 -0.508 -0.502 2.759 152 1HG1 VAL 22 HG12 VAL 22 -1.798 2.068 2.191 153 2HG1 VAL 22 HG13 VAL 22 -2.025 1.549 3.860 154 3HG1 VAL 22 HG11 VAL 22 -0.398 1.719 3.205 155 1HG2 VAL 22 HG23 VAL 22 -3.503 -0.611 2.707 156 2HG2 VAL 22 HG22 VAL 22 -2.352 -1.818 3.282 157 3HG2 VAL 22 HG21 VAL 22 -2.671 -0.375 4.245 158 H LYS 23 HN LYS 23 -0.581 -1.548 -0.767 159 HA LYS 23 HA LYS 23 -2.595 -3.727 -0.547 160 1HB LYS 23 HB1 LYS 23 -0.553 -2.961 -2.638 161 2HB LYS 23 HB2 LYS 23 -1.300 -4.558 -2.634 162 1HG LYS 23 HG1 LYS 23 -3.487 -3.632 -2.916 163 2HG LYS 23 HG2 LYS 23 -2.917 -2.001 -2.563 164 1HD LYS 23 HD1 LYS 23 -2.603 -1.707 -4.776 165 2HD LYS 23 HD2 LYS 23 -1.328 -2.926 -4.705 166 1HE LYS 23 HE1 LYS 23 -2.965 -4.699 -5.120 167 2HE LYS 23 HE2 LYS 23 -4.278 -3.521 -5.098 168 1HZ LYS 23 HZ2 LYS 23 -2.027 -3.130 -6.945 169 2HZ LYS 23 HZ3 LYS 23 -3.231 -4.262 -7.339 170 3HZ LYS 23 HZ1 LYS 23 -3.645 -2.635 -7.097 171 H SER 24 HN SER 24 -2.005 -5.669 0.368 172 HA SER 24 HA SER 24 0.902 -6.126 0.844 173 1HB SER 24 HB1 SER 24 0.389 -5.525 2.995 174 2HB SER 24 HB2 SER 24 -1.314 -5.932 2.813 175 HG SER 24 HG SER 24 -0.285 -7.429 4.157 176 H TRP 25 HN TRP 25 0.928 -7.743 -0.821 177 HA TRP 25 HA TRP 25 -0.789 -10.123 -0.211 178 1HB TRP 25 HB1 TRP 25 -0.364 -10.836 -2.533 179 2HB TRP 25 HB2 TRP 25 -1.093 -9.233 -2.481 180 HD1 TRP 25 HD1 TRP 25 2.002 -11.038 -3.607 181 HE1 TRP 25 HE1 TRP 25 3.580 -9.336 -4.742 182 HE3 TRP 25 HE3 TRP 25 -0.317 -6.751 -2.260 183 HZ2 TRP 25 HZ2 TRP 25 3.808 -6.471 -5.015 184 HZ3 TRP 25 HZ3 TRP 25 0.566 -4.582 -2.919 185 HH2 TRP 25 HH2 TRP 25 2.628 -4.396 -4.304 186 H CYS 26 HN CYS 26 0.330 -12.266 -0.617 187 HA CYS 26 HA CYS 26 3.274 -12.134 -0.182 188 1HB CYS 26 HB1 CYS 26 1.287 -12.828 1.812 189 2HB CYS 26 HB2 CYS 26 2.346 -14.200 1.489 190 H ASN 27 HN ASN 27 3.743 -14.801 0.223 191 HA ASN 27 HA ASN 27 2.690 -16.036 -2.291 192 1HB ASN 27 HB1 ASN 27 5.295 -15.531 -1.656 193 2HB ASN 27 HB2 ASN 27 5.114 -17.174 -1.042 194 1HD2 ASN 27 HD22 ASN 27 4.598 -16.528 -5.082 195 2HD2 ASN 27 HD21 ASN 27 4.292 -15.258 -3.996 196 H ALA 28 HN ALA 28 2.010 -16.080 0.820 197 HA ALA 28 HA ALA 28 0.750 -17.659 2.033 198 1HB ALA 28 HB3 ALA 28 0.360 -18.753 -0.268 199 2HB ALA 28 HB1 ALA 28 1.687 -19.826 0.172 200 3HB ALA 28 HB2 ALA 28 0.224 -19.787 1.154 201 H TRP 29 HN TRP 29 3.997 -17.697 1.347 202 HA TRP 29 HA TRP 29 4.539 -19.134 3.878 203 1HB TRP 29 HB1 TRP 29 5.626 -19.855 1.182 204 2HB TRP 29 HB2 TRP 29 6.492 -20.241 2.647 205 HD1 TRP 29 HD1 TRP 29 2.839 -20.689 1.341 206 HE1 TRP 29 HE1 TRP 29 2.031 -23.003 2.165 207 HE3 TRP 29 HE3 TRP 29 6.926 -22.105 3.923 208 HZ2 TRP 29 HZ2 TRP 29 3.038 -25.194 3.748 209 HZ3 TRP 29 HZ3 TRP 29 7.028 -24.307 5.101 210 HH2 TRP 29 HH2 TRP 29 5.079 -25.849 5.012 211 H CYS 30 HN CYS 30 4.676 -16.288 2.840 212 HA CYS 30 HA CYS 30 7.482 -15.616 2.591 213 1HB CYS 30 HB1 CYS 30 6.643 -13.271 3.021 214 2HB CYS 30 HB2 CYS 30 5.924 -14.098 1.640 215 H SER 31 HN SER 31 6.657 -17.121 5.122 216 HA SER 31 HA SER 31 6.616 -15.594 7.425 217 1HB SER 31 HB1 SER 31 6.704 -18.108 7.329 218 2HB SER 31 HB2 SER 31 8.436 -17.987 7.031 219 HG SER 31 HG SER 31 8.775 -17.485 9.037 220 H SER 32 HN SER 32 7.725 -13.634 7.263 221 HA SER 32 HA SER 32 9.561 -12.177 7.070 222 1HB SER 32 HB1 SER 32 11.390 -14.075 8.361 223 2HB SER 32 HB2 SER 32 10.924 -12.449 8.851 224 HG SER 32 HG SER 32 9.101 -13.220 9.787 225 H ARG 33 HN ARG 33 9.685 -12.550 4.804 226 HA ARG 33 HA ARG 33 12.271 -13.788 4.019 227 1HB ARG 33 HB1 ARG 33 9.549 -14.475 2.948 228 2HB ARG 33 HB2 ARG 33 10.947 -14.548 1.876 229 1HG ARG 33 HG1 ARG 33 11.917 -15.838 4.080 230 2HG ARG 33 HG2 ARG 33 10.213 -16.293 4.149 231 1HD ARG 33 HD1 ARG 33 11.714 -17.837 2.779 232 2HD ARG 33 HD2 ARG 33 10.285 -17.227 1.943 233 HE ARG 33 HE ARG 33 12.874 -15.798 1.599 234 1HH1 ARG 33 HH21 ARG 33 10.365 -15.200 0.009 235 2HH1 ARG 33 HH22 ARG 33 10.697 -16.020 -1.480 236 1HH2 ARG 33 HH11 ARG 33 13.269 -17.935 -0.158 237 2HH2 ARG 33 HH12 ARG 33 12.342 -17.569 -1.576 238 H GLY 34 HN GLY 34 9.623 -12.516 2.022 239 1HA GLY 34 HA1 GLY 34 10.951 -9.934 1.665 240 2HA GLY 34 HA2 GLY 34 11.065 -10.990 0.257 241 H LYS 35 HN LYS 35 8.460 -10.265 2.610 242 HA LYS 35 HA LYS 35 6.258 -10.594 0.957 243 1HB LYS 35 HB1 LYS 35 6.554 -8.261 2.872 244 2HB LYS 35 HB2 LYS 35 5.060 -9.072 2.397 245 1HG LYS 35 HG1 LYS 35 5.377 -10.288 4.296 246 2HG LYS 35 HG2 LYS 35 6.562 -11.173 3.333 247 1HD LYS 35 HD1 LYS 35 7.912 -10.572 5.106 248 2HD LYS 35 HD2 LYS 35 8.123 -9.136 4.104 249 1HE LYS 35 HE1 LYS 35 5.846 -8.490 5.468 250 2HE LYS 35 HE2 LYS 35 6.695 -9.456 6.675 251 1HZ LYS 35 HZ1 LYS 35 8.274 -7.492 5.215 252 2HZ LYS 35 HZ2 LYS 35 7.148 -6.881 6.332 253 3HZ LYS 35 HZ3 LYS 35 8.358 -7.958 6.843 254 H VAL 36 HN VAL 36 5.204 -9.332 -0.614 255 HA VAL 36 HA VAL 36 6.833 -7.075 -1.699 256 HB VAL 36 HB VAL 36 4.626 -7.981 -3.380 257 1HG1 VAL 36 HG11 VAL 36 6.812 -6.633 -3.872 258 2HG1 VAL 36 HG13 VAL 36 7.559 -8.227 -3.996 259 3HG1 VAL 36 HG12 VAL 36 6.232 -7.788 -5.073 260 1HG2 VAL 36 HG21 VAL 36 6.652 -10.002 -2.403 261 2HG2 VAL 36 HG23 VAL 36 4.901 -10.176 -2.504 262 3HG2 VAL 36 HG22 VAL 36 5.872 -10.161 -3.977 263 H LEU 37 HN LEU 37 5.710 -5.982 0.266 264 HA LEU 37 HA LEU 37 2.930 -5.170 -0.374 265 1HB LEU 37 HB1 LEU 37 4.648 -5.098 2.102 266 2HB LEU 37 HB2 LEU 37 3.092 -4.300 2.014 267 HG LEU 37 HG LEU 37 1.997 -6.237 2.359 268 1HD1 LEU 37 HD12 LEU 37 2.398 -6.866 -0.052 269 2HD1 LEU 37 HD11 LEU 37 3.856 -7.707 0.471 270 3HD1 LEU 37 HD13 LEU 37 2.277 -8.248 1.031 271 1HD2 LEU 37 HD22 LEU 37 4.828 -7.174 2.796 272 2HD2 LEU 37 HD21 LEU 37 3.665 -6.636 4.008 273 3HD2 LEU 37 HD23 LEU 37 3.426 -8.174 3.179 274 H GLU 38 HN GLU 38 2.720 -3.228 -1.386 275 HA GLU 38 HA GLU 38 4.565 -1.023 -0.586 276 1HB GLU 38 HB1 GLU 38 4.769 -0.288 -2.898 277 2HB GLU 38 HB2 GLU 38 5.293 -1.969 -2.787 278 1HG GLU 38 HG1 GLU 38 2.615 -2.275 -3.265 279 2HG GLU 38 HG2 GLU 38 2.963 -0.807 -4.180 280 H PHE 39 HN PHE 39 3.572 1.063 -0.653 281 HA PHE 39 HA PHE 39 0.630 0.973 -1.052 282 1HB PHE 39 HB1 PHE 39 2.037 3.003 0.672 283 2HB PHE 39 HB2 PHE 39 0.341 2.524 0.708 284 HD1 PHE 39 HD2 PHE 39 0.950 -0.512 0.416 285 HD2 PHE 39 HD1 PHE 39 2.460 2.540 3.037 286 HE1 PHE 39 HE2 PHE 39 1.475 -2.237 2.120 287 HE2 PHE 39 HE1 PHE 39 2.984 0.815 4.741 288 HZ PHE 39 HZ PHE 39 2.492 -1.574 4.282 289 H GLY 40 HN GLY 40 -0.226 2.490 -2.479 290 1HA GLY 40 HA1 GLY 40 1.747 4.441 -3.602 291 2HA GLY 40 HA2 GLY 40 0.624 3.554 -4.629 292 H CYS 41 HN CYS 41 -0.415 5.415 -5.410 293 HA CYS 41 HA CYS 41 -1.730 7.170 -3.427 294 1HB CYS 41 HB1 CYS 41 -0.480 8.294 -5.186 295 2HB CYS 41 HB2 CYS 41 -1.375 7.438 -6.427 296 H ALA 42 HN ALA 42 -3.938 7.712 -3.824 297 HA ALA 42 HA ALA 42 -5.585 6.064 -5.567 298 1HB ALA 42 HB2 ALA 42 -4.923 4.985 -3.052 299 2HB ALA 42 HB1 ALA 42 -6.577 5.574 -2.895 300 3HB ALA 42 HB3 ALA 42 -6.171 4.412 -4.159 301 H ALA 43 HN ALA 43 -7.983 6.361 -4.755 302 HA ALA 43 HA ALA 43 -8.346 9.261 -4.224 303 1HB ALA 43 HB1 ALA 43 -9.868 7.235 -5.833 304 2HB ALA 43 HB3 ALA 43 -10.721 8.636 -5.182 305 3HB ALA 43 HB2 ALA 43 -9.364 8.863 -6.286 306 H THR 44 HN THR 44 -9.652 6.036 -3.468 307 HA THR 44 HA THR 44 -10.351 6.984 -0.767 308 HB THR 44 HB THR 44 -12.426 7.466 -1.867 309 HG1 THR 44 HG1 THR 44 -13.665 6.236 -0.643 310 1HG2 THR 44 HG21 THR 44 -12.190 4.718 -3.125 311 2HG2 THR 44 HG23 THR 44 -13.543 5.829 -3.334 312 3HG2 THR 44 HG22 THR 44 -11.950 6.253 -3.960 313 H CYS 45 HN CYS 45 -10.442 5.236 0.723 314 HA CYS 45 HA CYS 45 -8.828 3.116 0.539 315 1HB CYS 45 HB1 CYS 45 -10.196 3.808 2.522 316 2HB CYS 45 HB2 CYS 45 -11.548 2.928 1.817 317 HA PRO 46 HA PRO 46 -10.941 0.829 -2.749 318 1HB PRO 46 HB1 PRO 46 -8.739 -0.652 -3.469 319 2HB PRO 46 HB2 PRO 46 -9.053 0.991 -4.050 320 1HG PRO 46 HG1 PRO 46 -7.058 0.038 -2.052 321 2HG PRO 46 HG2 PRO 46 -7.036 1.503 -3.044 322 1HD PRO 46 HD1 PRO 46 -7.752 1.291 -0.286 323 2HD PRO 46 HD2 PRO 46 -7.897 2.728 -1.319 324 H SER 47 HN SER 47 -11.303 -1.556 -3.109 325 HA SER 47 HA SER 47 -10.671 -3.212 -0.709 326 1HB SER 47 HB1 SER 47 -13.088 -2.157 -0.856 327 2HB SER 47 HB2 SER 47 -13.357 -3.450 -2.022 328 HG SER 47 HG SER 47 -12.127 -4.051 0.417 329 H VAL 48 HN VAL 48 -9.057 -4.176 -2.152 330 HA VAL 48 HA VAL 48 -10.213 -5.802 -4.358 331 HB VAL 48 HB VAL 48 -7.432 -4.886 -3.770 332 1HG1 VAL 48 HG12 VAL 48 -8.411 -7.123 -5.486 333 2HG1 VAL 48 HG11 VAL 48 -7.082 -6.133 -6.090 334 3HG1 VAL 48 HG13 VAL 48 -6.913 -6.999 -4.562 335 1HG2 VAL 48 HG23 VAL 48 -9.197 -3.453 -4.993 336 2HG2 VAL 48 HG22 VAL 48 -7.630 -3.650 -5.778 337 3HG2 VAL 48 HG21 VAL 48 -9.012 -4.604 -6.316 338 H ASN 49 HN ASN 49 -9.800 -8.078 -4.410 339 HA ASN 49 HA ASN 49 -8.674 -9.187 -1.918 340 1HB ASN 49 HB1 ASN 49 -11.234 -9.267 -2.158 341 2HB ASN 49 HB2 ASN 49 -10.945 -10.470 -3.415 342 1HD2 ASN 49 HD22 ASN 49 -11.269 -12.537 -0.423 343 2HD2 ASN 49 HD21 ASN 49 -12.245 -11.722 -1.547 344 H THR 50 HN THR 50 -7.837 -8.828 -4.929 345 HA THR 50 HA THR 50 -7.513 -11.536 -5.914 346 HB THR 50 HB THR 50 -5.561 -9.520 -6.828 347 HG1 THR 50 HG1 THR 50 -8.182 -9.049 -7.626 348 1HG2 THR 50 HG22 THR 50 -7.392 -11.588 -7.916 349 2HG2 THR 50 HG21 THR 50 -7.041 -10.223 -8.976 350 3HG2 THR 50 HG23 THR 50 -5.724 -11.218 -8.353 351 H GLY 51 HN GLY 51 -6.595 -12.552 -3.952 352 1HA GLY 51 HA1 GLY 51 -4.827 -13.144 -2.501 353 2HA GLY 51 HA2 GLY 51 -3.884 -13.086 -3.993 354 H THR 52 HN THR 52 -5.469 -10.224 -2.770 355 HA THR 52 HA THR 52 -2.897 -9.215 -1.665 356 HB THR 52 HB THR 52 -4.564 -7.953 -3.855 357 HG1 THR 52 HG1 THR 52 -2.998 -8.972 -4.842 358 1HG2 THR 52 HG21 THR 52 -2.952 -6.701 -1.732 359 2HG2 THR 52 HG23 THR 52 -2.502 -6.203 -3.363 360 3HG2 THR 52 HG22 THR 52 -4.159 -5.985 -2.801 361 H GLU 53 HN GLU 53 -3.239 -8.074 0.218 362 HA GLU 53 HA GLU 53 -6.064 -7.492 0.932 363 1HB GLU 53 HB1 GLU 53 -5.290 -7.386 3.234 364 2HB GLU 53 HB2 GLU 53 -4.660 -8.862 2.499 365 1HG GLU 53 HG1 GLU 53 -2.649 -7.186 1.875 366 2HG GLU 53 HG2 GLU 53 -3.222 -6.391 3.342 367 H ILE 54 HN ILE 54 -6.639 -5.422 0.335 368 HA ILE 54 HA ILE 54 -4.567 -3.312 0.426 369 HB ILE 54 HB ILE 54 -6.889 -3.836 -1.196 370 1HG1 ILE 54 HG11 ILE 54 -5.417 -1.340 -1.663 371 2HG1 ILE 54 HG12 ILE 54 -4.369 -2.741 -1.436 372 1HG2 ILE 54 HG23 ILE 54 -6.919 -1.206 0.302 373 2HG2 ILE 54 HG22 ILE 54 -7.767 -1.451 -1.224 374 3HG2 ILE 54 HG21 ILE 54 -8.214 -2.396 0.199 375 1HD1 ILE 54 HD11 ILE 54 -6.760 -2.835 -3.281 376 2HD1 ILE 54 HD12 ILE 54 -5.185 -2.264 -3.837 377 3HD1 ILE 54 HD13 ILE 54 -5.366 -3.915 -3.243 378 H LYS 55 HN LYS 55 -5.127 -1.246 1.496 379 HA LYS 55 HA LYS 55 -7.230 -1.378 3.554 380 1HB LYS 55 HB1 LYS 55 -4.511 -0.598 4.515 381 2HB LYS 55 HB2 LYS 55 -5.854 -1.310 5.408 382 1HG LYS 55 HG1 LYS 55 -5.463 -3.446 4.115 383 2HG LYS 55 HG2 LYS 55 -3.998 -2.710 3.465 384 1HD LYS 55 HD1 LYS 55 -2.921 -3.426 5.315 385 2HD LYS 55 HD2 LYS 55 -3.879 -2.270 6.241 386 1HE LYS 55 HE1 LYS 55 -5.712 -4.172 6.117 387 2HE LYS 55 HE2 LYS 55 -4.315 -5.212 5.840 388 1HZ LYS 55 HZ2 LYS 55 -3.508 -3.655 7.892 389 2HZ LYS 55 HZ3 LYS 55 -5.157 -3.872 8.241 390 3HZ LYS 55 HZ1 LYS 55 -4.149 -5.222 8.049 391 H CYS 56 HN CYS 56 -7.140 0.804 4.823 392 HA CYS 56 HA CYS 56 -6.766 2.944 2.792 393 1HB CYS 56 HB1 CYS 56 -8.016 3.658 5.373 394 2HB CYS 56 HB2 CYS 56 -8.551 4.012 3.733 395 H CYS 57 HN CYS 57 -5.137 4.388 3.035 396 HA CYS 57 HA CYS 57 -3.974 4.887 5.713 397 1HB CYS 57 HB1 CYS 57 -2.740 2.937 4.843 398 2HB CYS 57 HB2 CYS 57 -2.363 3.830 3.373 399 H SER 58 HN SER 58 -2.694 6.801 5.758 400 HA SER 58 HA SER 58 -2.867 8.434 3.286 401 1HB SER 58 HB1 SER 58 -4.473 8.998 5.294 402 2HB SER 58 HB2 SER 58 -3.024 9.730 5.977 403 HG SER 58 HG SER 58 -4.542 10.514 3.812 404 H ALA 59 HN ALA 59 -0.978 7.254 5.826 405 HA ALA 59 HA ALA 59 1.418 8.422 4.642 406 1HB ALA 59 HB1 ALA 59 0.471 9.364 7.361 407 2HB ALA 59 HB3 ALA 59 2.120 9.583 6.771 408 3HB ALA 59 HB2 ALA 59 0.773 10.357 5.935 409 H ASP 60 HN ASP 60 1.925 8.027 7.936 410 HA ASP 60 HA ASP 60 2.876 5.254 7.494 411 1HB ASP 60 HB1 ASP 60 4.428 7.058 8.449 412 2HB ASP 60 HB2 ASP 60 3.414 7.028 9.893 413 H LYS 61 HN LYS 61 0.105 6.057 7.811 414 HA LYS 61 HA LYS 61 -0.561 4.848 10.426 415 1HB LYS 61 HB1 LYS 61 -2.655 5.973 10.326 416 2HB LYS 61 HB2 LYS 61 -1.466 7.154 9.771 417 1HG LYS 61 HG1 LYS 61 -2.070 5.947 7.420 418 2HG LYS 61 HG2 LYS 61 -3.611 5.771 8.259 419 1HD LYS 61 HD1 LYS 61 -2.722 8.405 8.784 420 2HD LYS 61 HD2 LYS 61 -2.462 8.133 7.060 421 1HE LYS 61 HE1 LYS 61 -4.706 8.952 7.289 422 2HE LYS 61 HE2 LYS 61 -4.839 7.222 6.975 423 1HZ LYS 61 HZ1 LYS 61 -4.666 7.240 9.629 424 2HZ LYS 61 HZ2 LYS 61 -5.454 8.724 9.379 425 3HZ LYS 61 HZ3 LYS 61 -6.138 7.285 8.789 426 H CYS 62 HN CYS 62 0.025 3.828 7.460 427 HA CYS 62 HA CYS 62 -2.268 2.453 6.555 428 1HB CYS 62 HB1 CYS 62 0.497 1.257 6.393 429 2HB CYS 62 HB2 CYS 62 -0.814 1.142 5.222 430 H ASN 63 HN ASN 63 0.334 1.231 8.689 431 HA ASN 63 HA ASN 63 -1.651 -0.695 9.784 432 1HB ASN 63 HB1 ASN 63 0.286 -2.271 10.077 433 2HB ASN 63 HB2 ASN 63 -0.115 -1.947 8.392 434 1HD2 ASN 63 HD22 ASN 63 3.482 -1.458 8.348 435 2HD2 ASN 63 HD21 ASN 63 2.317 -2.688 8.231 436 H THR 64 HN THR 64 -1.975 0.909 11.502 437 HA THR 64 HA THR 64 0.260 0.857 13.488 438 HB THR 64 HB THR 64 -1.302 3.211 13.864 439 HG1 THR 64 HG1 THR 64 -0.061 3.174 11.342 440 1HG2 THR 64 HG23 THR 64 1.139 2.550 14.399 441 2HG2 THR 64 HG22 THR 64 1.483 3.039 12.740 442 3HG2 THR 64 HG21 THR 64 0.830 4.209 13.887 443 H TYR 65 HN TYR 65 -0.389 0.093 15.439 444 HA TYR 65 HA TYR 65 -1.866 -0.986 16.939 445 1HB TYR 65 HB1 TYR 65 -1.781 1.111 17.978 446 2HB TYR 65 HB2 TYR 65 -2.657 1.895 16.669 447 HD1 TYR 65 HD2 TYR 65 -3.111 -0.806 19.239 448 HD2 TYR 65 HD1 TYR 65 -4.938 2.352 16.967 449 HE1 TYR 65 HE2 TYR 65 -5.235 -1.148 20.473 450 HE2 TYR 65 HE1 TYR 65 -7.063 2.009 18.201 451 HH TYR 65 HH TYR 65 -7.291 0.335 21.040 452 HA PRO 66 HA PRO 66 -5.186 -1.829 13.856 453 1HB PRO 66 HB1 PRO 66 -4.711 -4.540 13.762 454 2HB PRO 66 HB2 PRO 66 -3.918 -3.364 12.700 455 1HG PRO 66 HG1 PRO 66 -2.827 -4.828 15.070 456 2HG PRO 66 HG2 PRO 66 -1.972 -4.194 13.655 457 1HD PRO 66 HD1 PRO 66 -2.083 -2.998 16.228 458 2HD PRO 66 HD2 PRO 66 -1.505 -2.221 14.739 No H/Q in entry = 458 Start of MODEL 15 1 1H ARG 1 HT1 ARG 1 1.568 15.316 -0.460 2 2H ARG 1 HT2 ARG 1 2.504 15.788 -1.798 3 3H ARG 1 HT3 ARG 1 1.209 14.707 -2.001 4 HA ARG 1 HA ARG 1 2.794 13.153 -1.935 5 1HB ARG 1 HB1 ARG 1 4.356 15.414 -1.341 6 2HB ARG 1 HB2 ARG 1 4.727 14.239 -0.080 7 1HG ARG 1 HG1 ARG 1 5.762 12.835 -1.538 8 2HG ARG 1 HG2 ARG 1 4.538 13.084 -2.786 9 1HD ARG 1 HD1 ARG 1 5.755 15.540 -2.718 10 2HD ARG 1 HD2 ARG 1 7.112 14.472 -2.357 11 HE ARG 1 HE ARG 1 5.822 13.304 -4.544 12 1HH1 ARG 1 HH21 ARG 1 5.588 16.491 -4.720 13 2HH1 ARG 1 HH22 ARG 1 6.823 16.771 -5.903 14 1HH2 ARG 1 HH11 ARG 1 8.152 13.578 -5.658 15 2HH2 ARG 1 HH12 ARG 1 8.275 15.121 -6.434 16 H GLU 2 HN GLU 2 1.963 11.529 -0.736 17 HA GLU 2 HA GLU 2 2.094 11.737 2.241 18 1HB GLU 2 HB1 GLU 2 -0.175 10.914 0.461 19 2HB GLU 2 HB2 GLU 2 0.021 10.092 2.009 20 1HG GLU 2 HG1 GLU 2 -0.388 12.026 3.235 21 2HG GLU 2 HG2 GLU 2 0.154 13.087 1.933 22 H CYS 3 HN CYS 3 1.901 9.338 3.140 23 HA CYS 3 HA CYS 3 2.757 7.171 3.203 24 1HB CYS 3 HB1 CYS 3 2.419 7.560 0.248 25 2HB CYS 3 HB2 CYS 3 3.239 6.126 0.860 26 H TYR 4 HN TYR 4 4.570 8.185 0.330 27 HA TYR 4 HA TYR 4 6.897 8.004 -0.029 28 1HB TYR 4 HB1 TYR 4 8.113 9.412 1.928 29 2HB TYR 4 HB2 TYR 4 7.252 10.182 0.605 30 HD1 TYR 4 HD2 TYR 4 6.993 9.114 4.158 31 HD2 TYR 4 HD1 TYR 4 5.201 11.396 0.989 32 HE1 TYR 4 HE2 TYR 4 5.476 10.197 5.796 33 HE2 TYR 4 HE1 TYR 4 3.697 12.488 2.632 34 HH TYR 4 HH TYR 4 3.081 12.629 4.751 35 H LEU 5 HN LEU 5 9.053 7.929 1.847 36 HA LEU 5 HA LEU 5 10.155 6.399 3.223 37 1HB LEU 5 HB1 LEU 5 7.321 6.053 4.028 38 2HB LEU 5 HB2 LEU 5 8.510 4.935 4.642 39 HG LEU 5 HG LEU 5 8.729 7.963 4.791 40 1HD1 LEU 5 HD12 LEU 5 7.035 6.251 6.273 41 2HD1 LEU 5 HD11 LEU 5 8.387 6.633 7.340 42 3HD1 LEU 5 HD13 LEU 5 7.427 7.933 6.632 43 1HD2 LEU 5 HD23 LEU 5 10.280 5.698 6.097 44 2HD2 LEU 5 HD22 LEU 5 10.889 6.832 4.890 45 3HD2 LEU 5 HD21 LEU 5 10.477 7.402 6.508 46 H ASN 6 HN ASN 6 10.945 5.250 1.356 47 HA ASN 6 HA ASN 6 9.297 2.893 0.625 48 1HB ASN 6 HB1 ASN 6 10.253 4.680 -1.076 49 2HB ASN 6 HB2 ASN 6 11.662 3.619 -1.008 50 1HD2 ASN 6 HD22 ASN 6 8.146 1.783 -2.168 51 2HD2 ASN 6 HD21 ASN 6 8.118 2.879 -0.871 52 HA PRO 7 HA PRO 7 13.300 1.123 2.449 53 1HB PRO 7 HB1 PRO 7 12.602 0.753 5.089 54 2HB PRO 7 HB2 PRO 7 13.498 2.171 4.513 55 1HG PRO 7 HG1 PRO 7 10.617 1.924 5.298 56 2HG PRO 7 HG2 PRO 7 11.687 3.332 5.398 57 1HD PRO 7 HD1 PRO 7 9.732 2.882 3.408 58 2HD PRO 7 HD2 PRO 7 11.063 4.056 3.314 59 H HIS 8 HN HIS 8 9.947 0.717 3.445 60 HA HIS 8 HA HIS 8 10.095 -2.208 2.836 61 1HB HIS 8 HB1 HIS 8 9.619 -2.178 5.141 62 2HB HIS 8 HB2 HIS 8 8.702 -0.681 5.032 63 HD1 HIS 8 HD1 HIS 8 8.033 -3.694 2.818 64 HD2 HIS 8 HD2 HIS 8 6.295 -1.695 6.039 65 HE1 HIS 8 HE1 HIS 8 5.706 -4.682 3.114 66 H ASP 9 HN ASP 9 9.779 -0.465 0.806 67 HA ASP 9 HA ASP 9 8.350 -0.195 -1.056 68 1HB ASP 9 HB1 ASP 9 6.004 -1.127 0.550 69 2HB ASP 9 HB2 ASP 9 6.333 -1.348 -1.169 70 H THR 10 HN THR 10 5.686 0.734 -1.012 71 HA THR 10 HA THR 10 4.276 2.443 -0.042 72 HB THR 10 HB THR 10 6.769 3.877 0.880 73 HG1 THR 10 HG1 THR 10 6.405 2.940 2.897 74 1HG2 THR 10 HG23 THR 10 3.820 4.130 1.326 75 2HG2 THR 10 HG22 THR 10 4.940 4.679 2.574 76 3HG2 THR 10 HG21 THR 10 5.009 5.380 0.957 77 H GLN 11 HN GLN 11 4.264 4.929 -0.705 78 HA GLN 11 HA GLN 11 6.025 5.729 -2.818 79 1HB GLN 11 HB1 GLN 11 4.969 4.183 -4.249 80 2HB GLN 11 HB2 GLN 11 3.397 4.429 -3.496 81 1HG GLN 11 HG1 GLN 11 3.329 5.523 -5.633 82 2HG GLN 11 HG2 GLN 11 3.438 6.791 -4.416 83 1HE2 GLN 11 HE22 GLN 11 6.909 5.940 -6.479 84 2HE2 GLN 11 HE21 GLN 11 5.886 4.664 -6.024 85 H THR 12 HN THR 12 5.586 7.934 -3.422 86 HA THR 12 HA THR 12 3.798 9.279 -1.582 87 HB THR 12 HB THR 12 4.978 11.243 -2.042 88 HG1 THR 12 HG1 THR 12 5.184 11.609 -4.093 89 1HG2 THR 12 HG21 THR 12 6.918 8.963 -2.502 90 2HG2 THR 12 HG23 THR 12 7.356 10.590 -1.982 91 3HG2 THR 12 HG22 THR 12 6.386 9.559 -0.930 92 H CYS 13 HN CYS 13 2.431 11.075 -2.415 93 HA CYS 13 HA CYS 13 1.460 10.705 -5.194 94 1HB CYS 13 HB1 CYS 13 -0.081 9.344 -3.976 95 2HB CYS 13 HB2 CYS 13 -0.185 10.509 -2.660 96 HA PRO 14 HA PRO 14 1.880 15.119 -3.973 97 1HB PRO 14 HB1 PRO 14 3.278 15.823 -6.242 98 2HB PRO 14 HB2 PRO 14 4.046 15.247 -4.752 99 1HG PRO 14 HG1 PRO 14 3.609 13.817 -7.344 100 2HG PRO 14 HG2 PRO 14 4.871 13.567 -6.127 101 1HD PRO 14 HD1 PRO 14 2.547 11.978 -6.489 102 2HD PRO 14 HD2 PRO 14 3.635 11.931 -5.085 103 H SER 15 HN SER 15 1.386 13.890 -7.307 104 HA SER 15 HA SER 15 -0.779 15.922 -7.645 105 1HB SER 15 HB1 SER 15 1.019 14.484 -9.598 106 2HB SER 15 HB2 SER 15 -0.484 15.234 -10.129 107 HG SER 15 HG SER 15 1.618 16.530 -8.742 108 H GLY 16 HN GLY 16 -2.653 15.091 -9.028 109 1HA GLY 16 HA1 GLY 16 -4.123 13.313 -9.699 110 2HA GLY 16 HA2 GLY 16 -3.098 12.172 -8.828 111 H GLN 17 HN GLN 17 -4.648 11.252 -7.479 112 HA GLN 17 HA GLN 17 -6.670 12.791 -6.106 113 1HB GLN 17 HB1 GLN 17 -5.578 10.037 -5.445 114 2HB GLN 17 HB2 GLN 17 -7.094 10.721 -4.856 115 1HG GLN 17 HG1 GLN 17 -6.398 10.180 -7.761 116 2HG GLN 17 HG2 GLN 17 -7.505 9.226 -6.771 117 1HE2 GLN 17 HE22 GLN 17 -8.686 12.935 -8.100 118 2HE2 GLN 17 HE21 GLN 17 -7.033 12.547 -8.071 119 H GLU 18 HN GLU 18 -6.452 11.807 -3.452 120 HA GLU 18 HA GLU 18 -3.877 12.942 -2.477 121 1HB GLU 18 HB1 GLU 18 -5.011 14.367 -0.877 122 2HB GLU 18 HB2 GLU 18 -5.647 14.730 -2.482 123 1HG GLU 18 HG1 GLU 18 -7.634 14.500 -1.313 124 2HG GLU 18 HG2 GLU 18 -7.394 12.829 -1.825 125 H ILE 19 HN ILE 19 -5.801 10.342 -2.514 126 HA ILE 19 HA ILE 19 -5.513 9.701 0.382 127 HB ILE 19 HB ILE 19 -6.878 8.029 -1.716 128 1HG1 ILE 19 HG11 ILE 19 -7.593 10.664 -1.034 129 2HG1 ILE 19 HG12 ILE 19 -8.598 9.488 -1.868 130 1HG2 ILE 19 HG21 ILE 19 -6.995 8.235 1.297 131 2HG2 ILE 19 HG22 ILE 19 -8.215 7.368 0.363 132 3HG2 ILE 19 HG23 ILE 19 -6.531 6.843 0.320 133 1HD1 ILE 19 HD11 ILE 19 -8.444 9.784 1.148 134 2HD1 ILE 19 HD12 ILE 19 -9.718 10.467 0.137 135 3HD1 ILE 19 HD13 ILE 19 -9.530 8.718 0.255 136 H CYS 20 HN CYS 20 -4.674 7.575 0.905 137 HA CYS 20 HA CYS 20 -2.686 6.598 -1.109 138 1HB CYS 20 HB1 CYS 20 -2.126 7.815 1.338 139 2HB CYS 20 HB2 CYS 20 -1.967 6.094 1.681 140 H TYR 21 HN TYR 21 -3.141 4.487 -1.667 141 HA TYR 21 HA TYR 21 -4.707 2.892 0.310 142 1HB TYR 21 HB1 TYR 21 -5.488 1.554 -1.455 143 2HB TYR 21 HB2 TYR 21 -5.397 3.142 -2.209 144 HD1 TYR 21 HD2 TYR 21 -3.427 0.005 -1.690 145 HD2 TYR 21 HD1 TYR 21 -4.095 3.464 -4.142 146 HE1 TYR 21 HE2 TYR 21 -1.856 -0.895 -3.383 147 HE2 TYR 21 HE1 TYR 21 -2.524 2.567 -5.839 148 HH TYR 21 HH TYR 21 -1.716 0.082 -6.456 149 H VAL 22 HN VAL 22 -3.910 0.759 0.882 150 HA VAL 22 HA VAL 22 -0.983 0.465 0.330 151 HB VAL 22 HB VAL 22 -0.656 -0.338 2.566 152 1HG1 VAL 22 HG13 VAL 22 -1.325 2.228 2.064 153 2HG1 VAL 22 HG12 VAL 22 -2.612 1.820 3.198 154 3HG1 VAL 22 HG11 VAL 22 -0.926 1.653 3.680 155 1HG2 VAL 22 HG21 VAL 22 -3.635 -0.580 2.506 156 2HG2 VAL 22 HG23 VAL 22 -2.431 -1.716 3.115 157 3HG2 VAL 22 HG22 VAL 22 -2.849 -0.284 4.057 158 H LYS 23 HN LYS 23 -0.702 -1.272 -1.005 159 HA LYS 23 HA LYS 23 -2.594 -3.565 -0.718 160 1HB LYS 23 HB1 LYS 23 -0.939 -2.487 -2.971 161 2HB LYS 23 HB2 LYS 23 -1.304 -4.213 -2.948 162 1HG LYS 23 HG1 LYS 23 -3.725 -3.664 -2.729 163 2HG LYS 23 HG2 LYS 23 -3.325 -1.950 -2.841 164 1HD LYS 23 HD1 LYS 23 -2.731 -2.101 -5.089 165 2HD LYS 23 HD2 LYS 23 -2.345 -3.819 -4.977 166 1HE LYS 23 HE1 LYS 23 -5.032 -3.754 -4.321 167 2HE LYS 23 HE2 LYS 23 -4.909 -2.509 -5.565 168 1HZ LYS 23 HZ1 LYS 23 -3.402 -4.474 -6.593 169 2HZ LYS 23 HZ2 LYS 23 -4.593 -5.371 -5.780 170 3HZ LYS 23 HZ3 LYS 23 -5.040 -4.235 -6.960 171 H SER 24 HN SER 24 -1.808 -5.568 -0.073 172 HA SER 24 HA SER 24 1.151 -5.804 0.236 173 1HB SER 24 HB1 SER 24 0.717 -5.505 2.459 174 2HB SER 24 HB2 SER 24 -0.969 -5.988 2.302 175 HG SER 24 HG SER 24 1.291 -7.693 2.309 176 H TRP 25 HN TRP 25 1.677 -7.419 -1.152 177 HA TRP 25 HA TRP 25 0.252 -10.030 -0.853 178 1HB TRP 25 HB1 TRP 25 0.090 -10.279 -3.277 179 2HB TRP 25 HB2 TRP 25 -0.730 -8.792 -2.786 180 HD1 TRP 25 HD1 TRP 25 2.147 -10.041 -4.840 181 HE1 TRP 25 HE1 TRP 25 3.324 -8.022 -5.946 182 HE3 TRP 25 HE3 TRP 25 -0.040 -6.331 -2.234 183 HZ2 TRP 25 HZ2 TRP 25 3.336 -5.142 -5.679 184 HZ3 TRP 25 HZ3 TRP 25 0.563 -4.007 -2.596 185 HH2 TRP 25 HH2 TRP 25 2.242 -3.361 -4.323 186 H CYS 26 HN CYS 26 1.535 -11.715 -2.318 187 HA CYS 26 HA CYS 26 4.447 -11.073 -2.306 188 1HB CYS 26 HB1 CYS 26 3.080 -12.889 -0.506 189 2HB CYS 26 HB2 CYS 26 4.248 -13.760 -1.500 190 H ASN 27 HN ASN 27 5.430 -13.483 -3.120 191 HA ASN 27 HA ASN 27 4.034 -13.904 -5.732 192 1HB ASN 27 HB1 ASN 27 6.661 -13.152 -5.228 193 2HB ASN 27 HB2 ASN 27 6.784 -14.883 -5.542 194 1HD2 ASN 27 HD22 ASN 27 5.780 -12.333 -8.569 195 2HD2 ASN 27 HD21 ASN 27 5.908 -11.767 -6.973 196 H ALA 28 HN ALA 28 4.076 -15.261 -2.859 197 HA ALA 28 HA ALA 28 3.384 -17.423 -2.235 198 1HB ALA 28 HB2 ALA 28 2.655 -17.648 -4.689 199 2HB ALA 28 HB1 ALA 28 4.207 -18.445 -4.943 200 3HB ALA 28 HB3 ALA 28 3.033 -19.138 -3.826 201 H TRP 29 HN TRP 29 6.364 -16.441 -3.319 202 HA TRP 29 HA TRP 29 7.668 -18.549 -1.704 203 1HB TRP 29 HB1 TRP 29 8.246 -17.934 -4.580 204 2HB TRP 29 HB2 TRP 29 9.449 -18.647 -3.535 205 HD1 TRP 29 HD1 TRP 29 5.717 -19.353 -4.430 206 HE1 TRP 29 HE1 TRP 29 5.444 -21.922 -4.529 207 HE3 TRP 29 HE3 TRP 29 10.406 -20.714 -3.191 208 HZ2 TRP 29 HZ2 TRP 29 7.065 -24.273 -4.120 209 HZ3 TRP 29 HZ3 TRP 29 11.069 -23.118 -3.037 210 HH2 TRP 29 HH2 TRP 29 9.393 -24.896 -3.503 211 H CYS 30 HN CYS 30 7.122 -15.590 -1.470 212 HA CYS 30 HA CYS 30 9.667 -14.235 -1.809 213 1HB CYS 30 HB1 CYS 30 8.569 -12.461 -0.403 214 2HB CYS 30 HB2 CYS 30 7.687 -12.903 -1.865 215 H SER 31 HN SER 31 9.823 -16.673 -0.105 216 HA SER 31 HA SER 31 9.904 -16.258 2.631 217 1HB SER 31 HB1 SER 31 10.534 -18.411 1.923 218 2HB SER 31 HB2 SER 31 11.734 -17.788 0.794 219 HG SER 31 HG SER 31 12.349 -18.668 3.039 220 H SER 32 HN SER 32 10.421 -14.097 3.138 221 HA SER 32 HA SER 32 11.770 -12.169 3.336 222 1HB SER 32 HB1 SER 32 14.127 -13.798 3.973 223 2HB SER 32 HB2 SER 32 13.302 -12.581 4.942 224 HG SER 32 HG SER 32 12.764 -14.367 5.990 225 H ARG 33 HN ARG 33 11.802 -11.811 1.048 226 HA ARG 33 HA ARG 33 14.574 -11.896 -0.004 227 1HB ARG 33 HB1 ARG 33 13.521 -13.852 -1.016 228 2HB ARG 33 HB2 ARG 33 12.151 -12.876 -1.545 229 1HG ARG 33 HG1 ARG 33 13.879 -11.441 -2.802 230 2HG ARG 33 HG2 ARG 33 15.020 -12.751 -2.497 231 1HD ARG 33 HD1 ARG 33 13.523 -14.334 -3.640 232 2HD ARG 33 HD2 ARG 33 12.351 -13.045 -3.912 233 HE ARG 33 HE ARG 33 14.545 -11.999 -5.114 234 1HH1 ARG 33 HH21 ARG 33 14.476 -15.324 -4.904 235 2HH1 ARG 33 HH22 ARG 33 14.432 -15.619 -6.611 236 1HH2 ARG 33 HH11 ARG 33 13.925 -12.290 -7.443 237 2HH2 ARG 33 HH12 ARG 33 14.121 -13.902 -8.048 238 H GLY 34 HN GLY 34 11.790 -11.125 -1.984 239 1HA GLY 34 HA1 GLY 34 12.229 -8.222 -1.506 240 2HA GLY 34 HA2 GLY 34 12.345 -8.842 -3.154 241 H LYS 35 HN LYS 35 10.079 -9.447 -0.438 242 HA LYS 35 HA LYS 35 7.771 -9.947 -1.901 243 1HB LYS 35 HB1 LYS 35 7.817 -8.177 0.562 244 2HB LYS 35 HB2 LYS 35 6.493 -9.201 0.007 245 1HG LYS 35 HG1 LYS 35 7.368 -11.009 1.036 246 2HG LYS 35 HG2 LYS 35 8.952 -10.728 0.312 247 1HD LYS 35 HD1 LYS 35 8.095 -8.900 2.515 248 2HD LYS 35 HD2 LYS 35 8.557 -10.543 2.958 249 1HE LYS 35 HE1 LYS 35 10.630 -10.073 1.409 250 2HE LYS 35 HE2 LYS 35 10.217 -8.382 1.688 251 1HZ LYS 35 HZ2 LYS 35 10.392 -10.238 3.964 252 2HZ LYS 35 HZ3 LYS 35 11.816 -9.589 3.299 253 3HZ LYS 35 HZ1 LYS 35 10.628 -8.555 3.928 254 H VAL 36 HN VAL 36 5.923 -8.466 -2.430 255 HA VAL 36 HA VAL 36 6.933 -5.778 -3.261 256 HB VAL 36 HB VAL 36 4.575 -6.664 -4.703 257 1HG1 VAL 36 HG12 VAL 36 6.413 -4.883 -5.208 258 2HG1 VAL 36 HG11 VAL 36 7.325 -6.246 -5.855 259 3HG1 VAL 36 HG13 VAL 36 5.760 -5.824 -6.549 260 1HG2 VAL 36 HG22 VAL 36 5.623 -8.913 -4.223 261 2HG2 VAL 36 HG21 VAL 36 5.511 -8.517 -5.939 262 3HG2 VAL 36 HG23 VAL 36 7.053 -8.365 -5.096 263 H LEU 37 HN LEU 37 6.180 -5.220 -1.018 264 HA LEU 37 HA LEU 37 3.222 -5.014 -0.797 265 1HB LEU 37 HB1 LEU 37 5.496 -5.362 1.073 266 2HB LEU 37 HB2 LEU 37 4.175 -4.338 1.636 267 HG LEU 37 HG LEU 37 2.616 -6.067 1.448 268 1HD1 LEU 37 HD11 LEU 37 3.389 -6.814 -0.843 269 2HD1 LEU 37 HD13 LEU 37 4.625 -7.773 -0.032 270 3HD1 LEU 37 HD12 LEU 37 2.918 -8.125 0.233 271 1HD2 LEU 37 HD22 LEU 37 4.197 -6.407 3.315 272 2HD2 LEU 37 HD21 LEU 37 3.549 -7.933 2.714 273 3HD2 LEU 37 HD23 LEU 37 5.180 -7.429 2.266 274 H GLU 38 HN GLU 38 3.718 -3.113 -2.449 275 HA GLU 38 HA GLU 38 4.636 -0.701 -0.964 276 1HB GLU 38 HB1 GLU 38 3.898 -0.616 -3.859 277 2HB GLU 38 HB2 GLU 38 5.155 0.268 -2.993 278 1HG GLU 38 HG1 GLU 38 5.900 -2.396 -2.691 279 2HG GLU 38 HG2 GLU 38 5.302 -2.318 -4.349 280 H PHE 39 HN PHE 39 3.416 1.316 -1.665 281 HA PHE 39 HA PHE 39 0.496 0.830 -1.688 282 1HB PHE 39 HB1 PHE 39 1.803 3.051 -0.114 283 2HB PHE 39 HB2 PHE 39 0.167 2.415 0.054 284 HD1 PHE 39 HD1 PHE 39 0.593 -0.481 0.038 285 HD2 PHE 39 HD2 PHE 39 2.890 2.610 1.939 286 HE1 PHE 39 HE1 PHE 39 1.401 -2.120 1.709 287 HE2 PHE 39 HE2 PHE 39 3.703 0.969 3.617 288 HZ PHE 39 HZ PHE 39 2.960 -1.403 3.498 289 H GLY 40 HN GLY 40 -0.518 3.271 -2.073 290 1HA GLY 40 HA1 GLY 40 1.134 4.899 -3.849 291 2HA GLY 40 HA2 GLY 40 -0.084 3.960 -4.711 292 H CYS 41 HN CYS 41 -1.134 5.952 -5.323 293 HA CYS 41 HA CYS 41 -2.365 7.512 -3.128 294 1HB CYS 41 HB1 CYS 41 -1.167 8.489 -5.227 295 2HB CYS 41 HB2 CYS 41 -2.652 8.094 -6.065 296 H ALA 42 HN ALA 42 -4.682 8.230 -3.882 297 HA ALA 42 HA ALA 42 -6.332 6.531 -5.441 298 1HB ALA 42 HB3 ALA 42 -5.457 5.073 -3.358 299 2HB ALA 42 HB2 ALA 42 -6.855 5.835 -2.597 300 3HB ALA 42 HB1 ALA 42 -7.065 4.860 -4.051 301 H ALA 43 HN ALA 43 -8.711 6.616 -4.457 302 HA ALA 43 HA ALA 43 -9.157 9.442 -3.645 303 1HB ALA 43 HB1 ALA 43 -10.091 8.285 -5.867 304 2HB ALA 43 HB3 ALA 43 -11.362 7.768 -4.758 305 3HB ALA 43 HB2 ALA 43 -11.034 9.487 -4.985 306 H THR 44 HN THR 44 -10.332 6.111 -3.115 307 HA THR 44 HA THR 44 -11.007 6.881 -0.337 308 HB THR 44 HB THR 44 -13.127 7.220 -1.431 309 HG1 THR 44 HG1 THR 44 -12.821 5.603 0.455 310 1HG2 THR 44 HG23 THR 44 -12.291 5.724 -3.430 311 2HG2 THR 44 HG22 THR 44 -13.113 4.438 -2.548 312 3HG2 THR 44 HG21 THR 44 -14.016 5.853 -3.089 313 H CYS 45 HN CYS 45 -10.820 5.142 1.094 314 HA CYS 45 HA CYS 45 -9.073 3.149 0.779 315 1HB CYS 45 HB1 CYS 45 -10.300 3.685 2.873 316 2HB CYS 45 HB2 CYS 45 -11.685 2.797 2.244 317 HA PRO 46 HA PRO 46 -11.109 0.598 -2.312 318 1HB PRO 46 HB1 PRO 46 -8.908 -0.969 -2.840 319 2HB PRO 46 HB2 PRO 46 -9.161 0.640 -3.535 320 1HG PRO 46 HG1 PRO 46 -7.253 -0.223 -1.434 321 2HG PRO 46 HG2 PRO 46 -7.202 1.210 -2.464 322 1HD PRO 46 HD1 PRO 46 -8.044 1.038 0.281 323 2HD PRO 46 HD2 PRO 46 -8.058 2.472 -0.768 324 H SER 47 HN SER 47 -11.897 -1.589 -2.352 325 HA SER 47 HA SER 47 -11.124 -3.290 -0.024 326 1HB SER 47 HB1 SER 47 -13.201 -2.279 0.640 327 2HB SER 47 HB2 SER 47 -13.918 -2.576 -0.941 328 HG SER 47 HG SER 47 -14.499 -4.439 -0.233 329 H VAL 48 HN VAL 48 -9.941 -3.878 -2.326 330 HA VAL 48 HA VAL 48 -11.633 -5.882 -3.722 331 HB VAL 48 HB VAL 48 -8.922 -4.918 -4.522 332 1HG1 VAL 48 HG11 VAL 48 -9.955 -7.072 -5.463 333 2HG1 VAL 48 HG13 VAL 48 -11.132 -6.020 -6.249 334 3HG1 VAL 48 HG12 VAL 48 -9.419 -5.873 -6.640 335 1HG2 VAL 48 HG21 VAL 48 -11.644 -3.743 -4.975 336 2HG2 VAL 48 HG23 VAL 48 -10.133 -2.918 -4.592 337 3HG2 VAL 48 HG22 VAL 48 -10.401 -3.562 -6.212 338 H ASN 49 HN ASN 49 -11.476 -7.831 -2.681 339 HA ASN 49 HA ASN 49 -8.997 -8.600 -1.364 340 1HB ASN 49 HB1 ASN 49 -11.131 -9.121 -0.282 341 2HB ASN 49 HB2 ASN 49 -11.623 -10.070 -1.685 342 1HD2 ASN 49 HD22 ASN 49 -10.173 -12.939 -0.256 343 2HD2 ASN 49 HD21 ASN 49 -11.483 -12.242 -1.081 344 H THR 50 HN THR 50 -9.126 -8.359 -4.366 345 HA THR 50 HA THR 50 -9.079 -11.038 -5.459 346 HB THR 50 HB THR 50 -9.482 -9.062 -6.880 347 HG1 THR 50 HG1 THR 50 -8.429 -10.978 -7.711 348 1HG2 THR 50 HG23 THR 50 -7.559 -7.837 -5.427 349 2HG2 THR 50 HG22 THR 50 -6.619 -8.287 -6.851 350 3HG2 THR 50 HG21 THR 50 -8.057 -7.281 -7.026 351 H GLY 51 HN GLY 51 -7.639 -12.115 -3.906 352 1HA GLY 51 HA1 GLY 51 -5.531 -12.745 -3.044 353 2HA GLY 51 HA2 GLY 51 -5.050 -12.609 -4.737 354 H THR 52 HN THR 52 -6.214 -9.823 -2.981 355 HA THR 52 HA THR 52 -3.421 -8.832 -2.648 356 HB THR 52 HB THR 52 -5.709 -7.454 -4.078 357 HG1 THR 52 HG1 THR 52 -4.200 -8.852 -5.207 358 1HG2 THR 52 HG23 THR 52 -3.524 -6.328 -2.484 359 2HG2 THR 52 HG22 THR 52 -3.534 -5.740 -4.146 360 3HG2 THR 52 HG21 THR 52 -4.963 -5.541 -3.133 361 H GLU 53 HN GLU 53 -3.185 -8.124 -0.560 362 HA GLU 53 HA GLU 53 -5.610 -7.626 1.042 363 1HB GLU 53 HB1 GLU 53 -2.808 -7.255 2.064 364 2HB GLU 53 HB2 GLU 53 -4.238 -7.826 2.926 365 1HG GLU 53 HG1 GLU 53 -3.826 -9.649 0.805 366 2HG GLU 53 HG2 GLU 53 -2.236 -9.360 1.512 367 H ILE 54 HN ILE 54 -6.376 -5.606 0.192 368 HA ILE 54 HA ILE 54 -4.463 -3.350 0.349 369 HB ILE 54 HB ILE 54 -6.169 -3.888 -1.636 370 1HG1 ILE 54 HG11 ILE 54 -5.756 -1.041 -0.734 371 2HG1 ILE 54 HG12 ILE 54 -4.430 -2.034 -1.332 372 1HG2 ILE 54 HG21 ILE 54 -7.976 -3.188 0.371 373 2HG2 ILE 54 HG22 ILE 54 -7.821 -1.729 -0.607 374 3HG2 ILE 54 HG23 ILE 54 -8.305 -3.249 -1.358 375 1HD1 ILE 54 HD12 ILE 54 -6.831 -2.113 -3.033 376 2HD1 ILE 54 HD13 ILE 54 -6.086 -0.518 -2.923 377 3HD1 ILE 54 HD11 ILE 54 -5.140 -1.897 -3.484 378 H LYS 55 HN LYS 55 -5.128 -1.357 1.422 379 HA LYS 55 HA LYS 55 -7.325 -1.566 3.372 380 1HB LYS 55 HB1 LYS 55 -4.601 -0.851 4.423 381 2HB LYS 55 HB2 LYS 55 -6.016 -1.426 5.305 382 1HG LYS 55 HG1 LYS 55 -5.756 -3.653 4.373 383 2HG LYS 55 HG2 LYS 55 -4.459 -3.101 3.313 384 1HD LYS 55 HD1 LYS 55 -3.252 -2.392 5.489 385 2HD LYS 55 HD2 LYS 55 -4.430 -3.411 6.317 386 1HE LYS 55 HE1 LYS 55 -3.670 -5.369 5.220 387 2HE LYS 55 HE2 LYS 55 -2.820 -4.446 3.980 388 1HZ LYS 55 HZ1 LYS 55 -1.575 -3.542 6.108 389 2HZ LYS 55 HZ2 LYS 55 -2.022 -5.061 6.720 390 3HZ LYS 55 HZ3 LYS 55 -1.079 -4.953 5.311 391 H CYS 56 HN CYS 56 -7.025 0.613 4.837 392 HA CYS 56 HA CYS 56 -6.843 2.797 2.822 393 1HB CYS 56 HB1 CYS 56 -7.842 3.441 5.532 394 2HB CYS 56 HB2 CYS 56 -8.512 3.866 3.960 395 H CYS 57 HN CYS 57 -5.395 4.500 3.107 396 HA CYS 57 HA CYS 57 -3.958 4.847 5.629 397 1HB CYS 57 HB1 CYS 57 -2.674 2.984 4.815 398 2HB CYS 57 HB2 CYS 57 -2.586 3.677 3.197 399 H SER 58 HN SER 58 -2.920 6.861 5.697 400 HA SER 58 HA SER 58 -2.800 8.391 3.171 401 1HB SER 58 HB1 SER 58 -4.969 8.949 4.224 402 2HB SER 58 HB2 SER 58 -4.120 9.425 5.692 403 HG SER 58 HG SER 58 -4.571 11.208 4.319 404 H ALA 59 HN ALA 59 -1.245 7.363 5.870 405 HA ALA 59 HA ALA 59 0.958 9.208 5.420 406 1HB ALA 59 HB2 ALA 59 -0.727 9.470 7.916 407 2HB ALA 59 HB1 ALA 59 0.942 10.033 7.841 408 3HB ALA 59 HB3 ALA 59 -0.274 10.736 6.775 409 H ASP 60 HN ASP 60 0.886 8.313 8.674 410 HA ASP 60 HA ASP 60 2.638 5.995 8.098 411 1HB ASP 60 HB1 ASP 60 3.562 7.644 9.655 412 2HB ASP 60 HB2 ASP 60 2.113 7.549 10.656 413 H LYS 61 HN LYS 61 -0.209 5.924 7.706 414 HA LYS 61 HA LYS 61 -1.089 4.098 9.867 415 1HB LYS 61 HB1 LYS 61 -2.702 5.825 9.617 416 2HB LYS 61 HB2 LYS 61 -2.595 5.769 7.858 417 1HG LYS 61 HG1 LYS 61 -3.672 3.597 7.805 418 2HG LYS 61 HG2 LYS 61 -3.621 3.482 9.565 419 1HD LYS 61 HD1 LYS 61 -4.888 5.942 8.958 420 2HD LYS 61 HD2 LYS 61 -5.610 4.735 7.893 421 1HE LYS 61 HE1 LYS 61 -6.907 4.246 9.698 422 2HE LYS 61 HE2 LYS 61 -5.488 3.365 10.264 423 1HZ LYS 61 HZ2 LYS 61 -4.950 5.907 10.998 424 2HZ LYS 61 HZ3 LYS 61 -6.630 5.822 11.233 425 3HZ LYS 61 HZ1 LYS 61 -5.608 4.718 12.017 426 H CYS 62 HN CYS 62 0.310 4.063 6.881 427 HA CYS 62 HA CYS 62 -1.158 2.122 5.433 428 1HB CYS 62 HB1 CYS 62 1.774 2.840 5.507 429 2HB CYS 62 HB2 CYS 62 1.156 1.585 4.435 430 H ASN 63 HN ASN 63 1.303 1.774 7.961 431 HA ASN 63 HA ASN 63 0.909 -1.169 7.879 432 1HB ASN 63 HB1 ASN 63 2.953 -1.316 9.196 433 2HB ASN 63 HB2 ASN 63 3.249 -0.282 7.798 434 1HD2 ASN 63 HD22 ASN 63 3.256 1.334 11.563 435 2HD2 ASN 63 HD21 ASN 63 2.676 -0.242 11.318 436 H THR 64 HN THR 64 0.929 1.590 10.139 437 HA THR 64 HA THR 64 -0.088 1.836 12.242 438 HB THR 64 HB THR 64 -2.122 -0.153 12.091 439 HG1 THR 64 HG1 THR 64 -2.968 0.514 10.039 440 1HG2 THR 64 HG21 THR 64 -1.755 2.772 12.122 441 2HG2 THR 64 HG23 THR 64 -3.268 2.224 11.400 442 3HG2 THR 64 HG22 THR 64 -2.863 1.765 13.055 443 H TYR 65 HN TYR 65 1.865 0.786 13.190 444 HA TYR 65 HA TYR 65 2.272 -1.887 13.623 445 1HB TYR 65 HB1 TYR 65 3.684 0.136 14.407 446 2HB TYR 65 HB2 TYR 65 2.716 0.049 15.877 447 HD1 TYR 65 HD1 TYR 65 4.911 -1.972 13.639 448 HD2 TYR 65 HD2 TYR 65 3.166 -1.563 17.545 449 HE1 TYR 65 HE1 TYR 65 6.320 -3.841 14.464 450 HE2 TYR 65 HE2 TYR 65 4.575 -3.432 18.370 451 HH TYR 65 HH TYR 65 6.954 -5.018 16.241 452 HA PRO 66 HA PRO 66 -0.655 -1.824 17.393 453 1HB PRO 66 HB1 PRO 66 -2.276 0.379 17.694 454 2HB PRO 66 HB2 PRO 66 -0.678 0.224 18.443 455 1HG PRO 66 HG1 PRO 66 -1.526 1.871 16.100 456 2HG PRO 66 HG2 PRO 66 -0.184 2.133 17.226 457 1HD PRO 66 HD1 PRO 66 -0.013 1.061 14.598 458 2HD PRO 66 HD2 PRO 66 1.279 1.080 15.809 No H/Q in entry = 458 Start of MODEL 16 1 1H ARG 1 HT2 ARG 1 0.517 13.036 -0.731 2 2H ARG 1 HT3 ARG 1 1.346 14.493 -1.004 3 3H ARG 1 HT1 ARG 1 1.378 13.268 -2.178 4 HA ARG 1 HA ARG 1 2.983 12.109 -1.152 5 1HB ARG 1 HB1 ARG 1 3.248 14.921 -0.723 6 2HB ARG 1 HB2 ARG 1 3.885 14.089 0.695 7 1HG ARG 1 HG1 ARG 1 5.537 12.995 -0.526 8 2HG ARG 1 HG2 ARG 1 4.616 13.068 -2.029 9 1HD ARG 1 HD1 ARG 1 5.527 15.061 -2.594 10 2HD ARG 1 HD2 ARG 1 5.251 15.724 -0.984 11 HE ARG 1 HE ARG 1 7.495 13.830 -1.192 12 1HH1 ARG 1 HH11 ARG 1 6.653 17.022 -2.020 13 2HH1 ARG 1 HH12 ARG 1 8.050 17.744 -1.295 14 1HH2 ARG 1 HH21 ARG 1 9.190 14.778 0.092 15 2HH2 ARG 1 HH22 ARG 1 9.486 16.473 -0.099 16 H GLU 2 HN GLU 2 1.461 10.662 0.034 17 HA GLU 2 HA GLU 2 1.761 11.056 2.976 18 1HB GLU 2 HB1 GLU 2 -0.704 10.349 1.404 19 2HB GLU 2 HB2 GLU 2 -0.521 9.762 3.057 20 1HG GLU 2 HG1 GLU 2 -0.566 11.915 3.962 21 2HG GLU 2 HG2 GLU 2 -0.029 12.665 2.460 22 H CYS 3 HN CYS 3 3.531 9.621 1.468 23 HA CYS 3 HA CYS 3 3.347 6.973 2.672 24 1HB CYS 3 HB1 CYS 3 3.002 7.389 -0.284 25 2HB CYS 3 HB2 CYS 3 3.733 5.907 0.325 26 H TYR 4 HN TYR 4 4.880 9.043 0.289 27 HA TYR 4 HA TYR 4 7.115 9.348 -0.307 28 1HB TYR 4 HB1 TYR 4 8.455 9.081 2.132 29 2HB TYR 4 HB2 TYR 4 7.790 10.563 1.446 30 HD1 TYR 4 HD1 TYR 4 5.294 11.092 1.917 31 HD2 TYR 4 HD2 TYR 4 7.545 8.177 4.132 32 HE1 TYR 4 HE1 TYR 4 3.627 11.199 3.751 33 HE2 TYR 4 HE2 TYR 4 5.877 8.284 5.967 34 HH TYR 4 HH TYR 4 3.210 10.616 5.892 35 H LEU 5 HN LEU 5 7.965 7.161 2.364 36 HA LEU 5 HA LEU 5 8.810 5.280 0.313 37 1HB LEU 5 HB1 LEU 5 10.478 6.447 2.448 38 2HB LEU 5 HB2 LEU 5 10.876 4.899 1.722 39 HG LEU 5 HG LEU 5 10.254 7.222 -0.062 40 1HD1 LEU 5 HD12 LEU 5 11.930 7.949 1.726 41 2HD1 LEU 5 HD11 LEU 5 13.021 6.735 1.059 42 3HD1 LEU 5 HD13 LEU 5 12.482 8.082 0.056 43 1HD2 LEU 5 HD22 LEU 5 11.632 4.596 -0.183 44 2HD2 LEU 5 HD23 LEU 5 10.679 5.423 -1.413 45 3HD2 LEU 5 HD21 LEU 5 12.357 5.888 -1.138 46 H ASN 6 HN ASN 6 8.386 5.637 3.839 47 HA ASN 6 HA ASN 6 7.920 3.981 5.441 48 1HB ASN 6 HB1 ASN 6 5.872 2.961 5.077 49 2HB ASN 6 HB2 ASN 6 5.815 4.185 3.820 50 1HD2 ASN 6 HD22 ASN 6 5.122 1.641 1.485 51 2HD2 ASN 6 HD21 ASN 6 4.656 3.119 2.179 52 HA PRO 7 HA PRO 7 10.289 0.340 4.715 53 1HB PRO 7 HB1 PRO 7 8.801 -1.729 5.755 54 2HB PRO 7 HB2 PRO 7 9.625 -0.514 6.747 55 1HG PRO 7 HG1 PRO 7 6.719 -0.825 6.157 56 2HG PRO 7 HG2 PRO 7 7.501 -0.030 7.532 57 1HD PRO 7 HD1 PRO 7 6.366 1.224 5.224 58 2HD PRO 7 HD2 PRO 7 7.307 2.017 6.506 59 H HIS 8 HN HIS 8 9.054 0.924 2.284 60 HA HIS 8 HA HIS 8 9.023 -1.639 0.968 61 1HB HIS 8 HB1 HIS 8 6.426 -0.420 1.770 62 2HB HIS 8 HB2 HIS 8 6.521 -1.108 0.150 63 HD1 HIS 8 HD1 HIS 8 4.801 -2.458 2.376 64 HD2 HIS 8 HD2 HIS 8 8.725 -3.535 1.469 65 HE1 HIS 8 HE1 HIS 8 5.086 -4.854 3.160 66 H ASP 9 HN ASP 9 7.671 -1.080 -1.350 67 HA ASP 9 HA ASP 9 9.431 0.682 -2.733 68 1HB ASP 9 HB1 ASP 9 6.639 -0.068 -3.626 69 2HB ASP 9 HB2 ASP 9 8.009 0.367 -4.647 70 H THR 10 HN THR 10 6.125 1.216 -1.515 71 HA THR 10 HA THR 10 5.000 3.197 -1.024 72 HB THR 10 HB THR 10 7.041 5.187 -1.298 73 HG1 THR 10 HG1 THR 10 7.848 2.722 -0.146 74 1HG2 THR 10 HG21 THR 10 5.099 4.647 0.429 75 2HG2 THR 10 HG23 THR 10 6.413 3.878 1.303 76 3HG2 THR 10 HG22 THR 10 6.510 5.580 0.901 77 H GLN 11 HN GLN 11 4.878 5.624 -1.946 78 HA GLN 11 HA GLN 11 5.576 6.396 -4.496 79 1HB GLN 11 HB1 GLN 11 4.721 4.532 -5.623 80 2HB GLN 11 HB2 GLN 11 3.373 4.349 -4.508 81 1HG GLN 11 HG1 GLN 11 2.066 5.832 -5.655 82 2HG GLN 11 HG2 GLN 11 3.424 6.902 -6.006 83 1HE2 GLN 11 HE22 GLN 11 2.402 3.975 -8.671 84 2HE2 GLN 11 HE21 GLN 11 1.674 4.029 -7.138 85 H THR 12 HN THR 12 5.313 8.261 -3.130 86 HA THR 12 HA THR 12 3.253 9.242 -1.695 87 HB THR 12 HB THR 12 3.814 11.532 -2.708 88 HG1 THR 12 HG1 THR 12 5.947 10.179 -3.909 89 1HG2 THR 12 HG23 THR 12 5.603 9.615 -1.323 90 2HG2 THR 12 HG22 THR 12 6.362 11.075 -1.956 91 3HG2 THR 12 HG21 THR 12 5.034 11.200 -0.802 92 H CYS 13 HN CYS 13 1.559 10.865 -2.211 93 HA CYS 13 HA CYS 13 0.240 10.416 -4.851 94 1HB CYS 13 HB1 CYS 13 -0.943 9.041 -3.202 95 2HB CYS 13 HB2 CYS 13 -1.064 10.413 -2.109 96 HA PRO 14 HA PRO 14 0.614 14.880 -3.454 97 1HB PRO 14 HB1 PRO 14 2.401 15.677 -5.396 98 2HB PRO 14 HB2 PRO 14 2.879 15.109 -3.786 99 1HG PRO 14 HG1 PRO 14 3.006 13.690 -6.423 100 2HG PRO 14 HG2 PRO 14 4.035 13.495 -4.993 101 1HD PRO 14 HD1 PRO 14 1.927 11.777 -5.760 102 2HD PRO 14 HD2 PRO 14 2.699 11.828 -4.162 103 H SER 15 HN SER 15 0.768 13.668 -6.830 104 HA SER 15 HA SER 15 -1.210 15.761 -7.596 105 1HB SER 15 HB1 SER 15 1.094 14.948 -8.854 106 2HB SER 15 HB2 SER 15 -0.131 14.018 -9.710 107 HG SER 15 HG SER 15 -0.478 15.795 -10.747 108 H GLY 16 HN GLY 16 -2.722 14.835 -9.472 109 1HA GLY 16 HA1 GLY 16 -4.435 13.340 -10.071 110 2HA GLY 16 HA2 GLY 16 -3.511 12.064 -9.277 111 H GLN 17 HN GLN 17 -3.784 11.817 -6.949 112 HA GLN 17 HA GLN 17 -6.337 13.017 -5.954 113 1HB GLN 17 HB1 GLN 17 -5.221 10.384 -4.996 114 2HB GLN 17 HB2 GLN 17 -6.879 10.979 -4.896 115 1HG GLN 17 HG1 GLN 17 -5.407 10.180 -7.425 116 2HG GLN 17 HG2 GLN 17 -6.716 9.284 -6.655 117 1HE2 GLN 17 HE22 GLN 17 -8.259 11.338 -9.349 118 2HE2 GLN 17 HE21 GLN 17 -7.156 10.048 -9.278 119 H GLU 18 HN GLU 18 -6.033 12.082 -3.284 120 HA GLU 18 HA GLU 18 -3.464 13.275 -2.383 121 1HB GLU 18 HB1 GLU 18 -4.712 14.627 -0.684 122 2HB GLU 18 HB2 GLU 18 -5.045 15.131 -2.342 123 1HG GLU 18 HG1 GLU 18 -6.824 13.015 -1.276 124 2HG GLU 18 HG2 GLU 18 -6.988 14.596 -0.511 125 H ILE 19 HN ILE 19 -5.173 10.620 -2.397 126 HA ILE 19 HA ILE 19 -4.938 10.044 0.528 127 HB ILE 19 HB ILE 19 -6.349 8.376 -1.550 128 1HG1 ILE 19 HG11 ILE 19 -7.019 11.020 -0.769 129 2HG1 ILE 19 HG12 ILE 19 -8.011 9.900 -1.689 130 1HG2 ILE 19 HG21 ILE 19 -6.500 8.594 1.471 131 2HG2 ILE 19 HG22 ILE 19 -7.622 7.638 0.499 132 3HG2 ILE 19 HG23 ILE 19 -5.905 7.227 0.529 133 1HD1 ILE 19 HD13 ILE 19 -8.932 8.988 0.423 134 2HD1 ILE 19 HD11 ILE 19 -7.946 10.129 1.336 135 3HD1 ILE 19 HD12 ILE 19 -9.232 10.721 0.284 136 H CYS 20 HN CYS 20 -4.133 7.888 1.052 137 HA CYS 20 HA CYS 20 -2.158 6.915 -0.977 138 1HB CYS 20 HB1 CYS 20 -1.682 7.940 1.651 139 2HB CYS 20 HB2 CYS 20 -1.317 6.216 1.667 140 H TYR 21 HN TYR 21 -2.530 4.812 -1.545 141 HA TYR 21 HA TYR 21 -4.258 3.216 0.287 142 1HB TYR 21 HB1 TYR 21 -4.923 1.921 -1.571 143 2HB TYR 21 HB2 TYR 21 -4.821 3.554 -2.228 144 HD1 TYR 21 HD1 TYR 21 -2.838 4.244 -3.572 145 HD2 TYR 21 HD2 TYR 21 -3.417 0.186 -2.282 146 HE1 TYR 21 HE1 TYR 21 -1.164 3.477 -5.235 147 HE2 TYR 21 HE2 TYR 21 -1.739 -0.580 -3.944 148 HH TYR 21 HH TYR 21 -0.874 0.488 -6.306 149 H VAL 22 HN VAL 22 -3.603 0.946 0.663 150 HA VAL 22 HA VAL 22 -0.655 0.585 0.320 151 HB VAL 22 HB VAL 22 -0.454 -0.233 2.572 152 1HG1 VAL 22 HG12 VAL 22 -0.663 2.298 2.188 153 2HG1 VAL 22 HG11 VAL 22 -2.315 2.148 2.786 154 3HG1 VAL 22 HG13 VAL 22 -0.957 1.738 3.832 155 1HG2 VAL 22 HG22 VAL 22 -3.455 -0.238 2.448 156 2HG2 VAL 22 HG21 VAL 22 -2.363 -1.517 2.982 157 3HG2 VAL 22 HG23 VAL 22 -2.640 -0.109 4.007 158 H LYS 23 HN LYS 23 -0.558 -1.042 -1.158 159 HA LYS 23 HA LYS 23 -2.467 -3.313 -0.921 160 1HB LYS 23 HB1 LYS 23 -2.158 -2.197 -3.145 161 2HB LYS 23 HB2 LYS 23 -0.473 -2.715 -3.125 162 1HG LYS 23 HG1 LYS 23 -1.456 -5.094 -2.724 163 2HG LYS 23 HG2 LYS 23 -2.969 -4.399 -3.301 164 1HD LYS 23 HD1 LYS 23 -0.587 -3.787 -4.950 165 2HD LYS 23 HD2 LYS 23 -1.079 -5.480 -4.940 166 1HE LYS 23 HE1 LYS 23 -2.955 -5.050 -6.142 167 2HE LYS 23 HE2 LYS 23 -3.328 -3.606 -5.199 168 1HZ LYS 23 HZ2 LYS 23 -1.007 -3.180 -6.749 169 2HZ LYS 23 HZ3 LYS 23 -2.266 -3.721 -7.753 170 3HZ LYS 23 HZ1 LYS 23 -2.484 -2.342 -6.789 171 H SER 24 HN SER 24 -1.768 -5.219 -0.063 172 HA SER 24 HA SER 24 1.169 -5.699 -0.007 173 1HB SER 24 HB1 SER 24 0.261 -6.828 2.349 174 2HB SER 24 HB2 SER 24 1.094 -5.282 2.217 175 HG SER 24 HG SER 24 -0.782 -4.215 2.279 176 H TRP 25 HN TRP 25 1.406 -7.493 -1.253 177 HA TRP 25 HA TRP 25 -0.244 -9.886 -0.555 178 1HB TRP 25 HB1 TRP 25 -0.532 -10.407 -2.932 179 2HB TRP 25 HB2 TRP 25 -1.193 -8.805 -2.589 180 HD1 TRP 25 HD1 TRP 25 1.384 -10.532 -4.670 181 HE1 TRP 25 HE1 TRP 25 2.719 -8.760 -6.001 182 HE3 TRP 25 HE3 TRP 25 -0.190 -6.387 -2.273 183 HZ2 TRP 25 HZ2 TRP 25 3.067 -5.889 -5.991 184 HZ3 TRP 25 HZ3 TRP 25 0.634 -4.179 -2.883 185 HH2 TRP 25 HH2 TRP 25 2.265 -3.884 -4.746 186 H CYS 26 HN CYS 26 0.832 -11.889 -0.991 187 HA CYS 26 HA CYS 26 3.648 -11.743 -1.944 188 1HB CYS 26 HB1 CYS 26 4.070 -11.633 0.374 189 2HB CYS 26 HB2 CYS 26 2.715 -12.687 0.766 190 H ASN 27 HN ASN 27 4.413 -13.864 -2.657 191 HA ASN 27 HA ASN 27 2.168 -15.763 -3.209 192 1HB ASN 27 HB1 ASN 27 4.117 -14.535 -4.934 193 2HB ASN 27 HB2 ASN 27 4.374 -16.279 -4.931 194 1HD2 ASN 27 HD22 ASN 27 1.780 -15.572 -7.509 195 2HD2 ASN 27 HD21 ASN 27 3.423 -15.198 -7.297 196 H ALA 28 HN ALA 28 3.949 -17.871 -4.101 197 HA ALA 28 HA ALA 28 4.815 -18.815 -1.449 198 1HB ALA 28 HB2 ALA 28 4.096 -20.045 -4.016 199 2HB ALA 28 HB1 ALA 28 5.488 -20.800 -3.241 200 3HB ALA 28 HB3 ALA 28 3.952 -20.694 -2.382 201 H TRP 29 HN TRP 29 6.273 -16.669 -2.954 202 HA TRP 29 HA TRP 29 8.917 -18.032 -3.180 203 1HB TRP 29 HB1 TRP 29 7.993 -15.540 -4.576 204 2HB TRP 29 HB2 TRP 29 9.518 -16.368 -4.808 205 HD1 TRP 29 HD1 TRP 29 5.798 -17.550 -4.801 206 HE1 TRP 29 HE1 TRP 29 5.502 -19.088 -6.863 207 HE3 TRP 29 HE3 TRP 29 10.478 -17.334 -6.656 208 HZ2 TRP 29 HZ2 TRP 29 7.107 -20.100 -9.038 209 HZ3 TRP 29 HZ3 TRP 29 11.123 -18.579 -8.724 210 HH2 TRP 29 HH2 TRP 29 9.434 -19.964 -9.911 211 H CYS 30 HN CYS 30 7.164 -15.483 -1.553 212 HA CYS 30 HA CYS 30 9.462 -13.900 -0.853 213 1HB CYS 30 HB1 CYS 30 7.220 -13.859 1.062 214 2HB CYS 30 HB2 CYS 30 8.038 -12.542 0.245 215 H SER 31 HN SER 31 9.309 -16.996 -0.105 216 HA SER 31 HA SER 31 9.264 -17.398 2.631 217 1HB SER 31 HB1 SER 31 9.979 -18.997 0.665 218 2HB SER 31 HB2 SER 31 11.607 -18.463 1.078 219 HG SER 31 HG SER 31 9.824 -20.006 2.537 220 H SER 32 HN SER 32 9.912 -15.572 3.813 221 HA SER 32 HA SER 32 11.376 -13.934 4.663 222 1HB SER 32 HB1 SER 32 13.509 -16.025 4.538 223 2HB SER 32 HB2 SER 32 13.156 -14.870 5.819 224 HG SER 32 HG SER 32 12.376 -16.770 6.560 225 H ARG 33 HN ARG 33 11.262 -13.014 2.487 226 HA ARG 33 HA ARG 33 13.999 -12.602 1.440 227 1HB ARG 33 HB1 ARG 33 12.990 -14.401 0.045 228 2HB ARG 33 HB2 ARG 33 11.668 -13.312 -0.369 229 1HG ARG 33 HG1 ARG 33 12.945 -12.579 -2.079 230 2HG ARG 33 HG2 ARG 33 13.996 -11.833 -0.874 231 1HD ARG 33 HD1 ARG 33 14.800 -14.466 -0.794 232 2HD ARG 33 HD2 ARG 33 14.421 -14.249 -2.503 233 HE ARG 33 HE ARG 33 15.951 -12.015 -1.783 234 1HH1 ARG 33 HH11 ARG 33 16.264 -15.102 -3.031 235 2HH1 ARG 33 HH12 ARG 33 17.964 -15.248 -2.730 236 1HH2 ARG 33 HH21 ARG 33 18.151 -12.340 -0.850 237 2HH2 ARG 33 HH22 ARG 33 19.031 -13.685 -1.496 238 H GLY 34 HN GLY 34 10.859 -11.698 0.013 239 1HA GLY 34 HA1 GLY 34 10.716 -9.087 1.159 240 2HA GLY 34 HA2 GLY 34 11.576 -8.985 -0.376 241 H LYS 35 HN LYS 35 8.508 -9.990 1.106 242 HA LYS 35 HA LYS 35 6.984 -10.753 -1.095 243 1HB LYS 35 HB1 LYS 35 5.999 -8.759 0.963 244 2HB LYS 35 HB2 LYS 35 5.051 -9.967 0.096 245 1HG LYS 35 HG1 LYS 35 5.401 -11.345 1.851 246 2HG LYS 35 HG2 LYS 35 7.089 -11.426 1.348 247 1HD LYS 35 HD1 LYS 35 7.604 -9.459 2.742 248 2HD LYS 35 HD2 LYS 35 5.912 -9.364 3.237 249 1HE LYS 35 HE1 LYS 35 6.603 -10.665 4.979 250 2HE LYS 35 HE2 LYS 35 6.478 -11.977 3.807 251 1HZ LYS 35 HZ2 LYS 35 8.935 -10.377 4.267 252 2HZ LYS 35 HZ3 LYS 35 8.636 -11.891 4.976 253 3HZ LYS 35 HZ1 LYS 35 8.785 -11.759 3.292 254 H VAL 36 HN VAL 36 5.372 -9.352 -2.335 255 HA VAL 36 HA VAL 36 6.774 -6.913 -3.315 256 HB VAL 36 HB VAL 36 4.270 -7.725 -4.654 257 1HG1 VAL 36 HG12 VAL 36 6.598 -6.285 -5.223 258 2HG1 VAL 36 HG11 VAL 36 6.732 -7.743 -6.206 259 3HG1 VAL 36 HG13 VAL 36 5.320 -6.699 -6.366 260 1HG2 VAL 36 HG22 VAL 36 6.545 -9.643 -4.270 261 2HG2 VAL 36 HG21 VAL 36 4.815 -9.969 -4.367 262 3HG2 VAL 36 HG23 VAL 36 5.726 -9.602 -5.832 263 H LEU 37 HN LEU 37 6.004 -6.126 -1.052 264 HA LEU 37 HA LEU 37 3.172 -5.253 -1.094 265 1HB LEU 37 HB1 LEU 37 5.276 -5.692 0.996 266 2HB LEU 37 HB2 LEU 37 3.921 -4.626 1.342 267 HG LEU 37 HG LEU 37 2.364 -6.355 1.182 268 1HD1 LEU 37 HD13 LEU 37 3.183 -7.162 -1.054 269 2HD1 LEU 37 HD12 LEU 37 4.417 -8.094 -0.209 270 3HD1 LEU 37 HD11 LEU 37 2.710 -8.463 0.035 271 1HD2 LEU 37 HD21 LEU 37 4.178 -6.642 3.019 272 2HD2 LEU 37 HD23 LEU 37 3.053 -7.966 2.717 273 3HD2 LEU 37 HD22 LEU 37 4.686 -8.029 2.057 274 H GLU 38 HN GLU 38 2.944 -3.242 -2.021 275 HA GLU 38 HA GLU 38 4.778 -1.096 -1.060 276 1HB GLU 38 HB1 GLU 38 4.706 -0.127 -3.400 277 2HB GLU 38 HB2 GLU 38 5.639 -1.617 -3.244 278 1HG GLU 38 HG1 GLU 38 2.922 -2.336 -3.754 279 2HG GLU 38 HG2 GLU 38 3.382 -1.105 -4.930 280 H PHE 39 HN PHE 39 3.808 1.073 -1.282 281 HA PHE 39 HA PHE 39 0.843 0.976 -1.423 282 1HB PHE 39 HB1 PHE 39 2.441 2.899 0.277 283 2HB PHE 39 HB2 PHE 39 0.709 2.573 0.355 284 HD1 PHE 39 HD2 PHE 39 0.894 -0.463 0.033 285 HD2 PHE 39 HD1 PHE 39 3.031 2.299 2.535 286 HE1 PHE 39 HE2 PHE 39 1.316 -2.276 1.673 287 HE2 PHE 39 HE1 PHE 39 3.454 0.486 4.176 288 HZ PHE 39 HZ PHE 39 2.596 -1.802 3.745 289 H GLY 40 HN GLY 40 -0.156 2.847 -2.443 290 1HA GLY 40 HA1 GLY 40 1.769 4.707 -3.749 291 2HA GLY 40 HA2 GLY 40 0.595 3.853 -4.743 292 H CYS 41 HN CYS 41 -0.552 5.667 -5.412 293 HA CYS 41 HA CYS 41 -1.737 7.392 -3.318 294 1HB CYS 41 HB1 CYS 41 -0.611 8.693 -4.956 295 2HB CYS 41 HB2 CYS 41 -1.256 7.741 -6.283 296 H ALA 42 HN ALA 42 -3.971 7.998 -3.642 297 HA ALA 42 HA ALA 42 -5.730 6.476 -5.360 298 1HB ALA 42 HB2 ALA 42 -5.176 5.507 -2.602 299 2HB ALA 42 HB1 ALA 42 -6.863 5.510 -3.119 300 3HB ALA 42 HB3 ALA 42 -5.661 4.603 -4.036 301 H ALA 43 HN ALA 43 -8.072 6.689 -4.301 302 HA ALA 43 HA ALA 43 -8.348 9.531 -3.476 303 1HB ALA 43 HB3 ALA 43 -9.847 7.784 -5.356 304 2HB ALA 43 HB2 ALA 43 -10.801 8.927 -4.410 305 3HB ALA 43 HB1 ALA 43 -9.507 9.512 -5.456 306 H THR 44 HN THR 44 -9.691 6.256 -3.002 307 HA THR 44 HA THR 44 -10.392 7.037 -0.235 308 HB THR 44 HB THR 44 -12.466 7.475 -1.405 309 HG1 THR 44 HG1 THR 44 -13.762 5.973 -0.367 310 1HG2 THR 44 HG21 THR 44 -11.848 4.840 -2.726 311 2HG2 THR 44 HG23 THR 44 -13.504 5.444 -2.654 312 3HG2 THR 44 HG22 THR 44 -12.257 6.384 -3.475 313 H CYS 45 HN CYS 45 -10.553 5.208 1.167 314 HA CYS 45 HA CYS 45 -8.809 3.188 0.991 315 1HB CYS 45 HB1 CYS 45 -10.387 3.771 2.887 316 2HB CYS 45 HB2 CYS 45 -11.574 2.751 2.083 317 HA PRO 46 HA PRO 46 -10.599 0.893 -2.464 318 1HB PRO 46 HB1 PRO 46 -8.310 -0.537 -3.017 319 2HB PRO 46 HB2 PRO 46 -8.616 1.105 -3.606 320 1HG PRO 46 HG1 PRO 46 -6.743 0.181 -1.496 321 2HG PRO 46 HG2 PRO 46 -6.724 1.684 -2.424 322 1HD PRO 46 HD1 PRO 46 -7.647 1.294 0.268 323 2HD PRO 46 HD2 PRO 46 -7.709 2.789 -0.689 324 H SER 47 HN SER 47 -11.582 -1.138 -2.470 325 HA SER 47 HA SER 47 -10.829 -2.977 -0.235 326 1HB SER 47 HB1 SER 47 -13.290 -1.822 -0.790 327 2HB SER 47 HB2 SER 47 -13.440 -3.436 -1.475 328 HG SER 47 HG SER 47 -12.771 -2.727 1.174 329 H VAL 48 HN VAL 48 -9.216 -4.019 -1.597 330 HA VAL 48 HA VAL 48 -10.382 -5.626 -3.820 331 HB VAL 48 HB VAL 48 -7.623 -4.605 -3.317 332 1HG1 VAL 48 HG13 VAL 48 -7.479 -7.006 -3.940 333 2HG1 VAL 48 HG12 VAL 48 -8.448 -6.666 -5.374 334 3HG1 VAL 48 HG11 VAL 48 -6.842 -5.957 -5.207 335 1HG2 VAL 48 HG23 VAL 48 -9.497 -3.337 -4.592 336 2HG2 VAL 48 HG22 VAL 48 -7.906 -3.445 -5.344 337 3HG2 VAL 48 HG21 VAL 48 -9.204 -4.516 -5.871 338 H ASN 49 HN ASN 49 -10.364 -7.848 -3.606 339 HA ASN 49 HA ASN 49 -8.837 -8.956 -1.332 340 1HB ASN 49 HB1 ASN 49 -11.388 -8.859 -1.078 341 2HB ASN 49 HB2 ASN 49 -11.437 -10.104 -2.329 342 1HD2 ASN 49 HD22 ASN 49 -11.328 -12.077 0.743 343 2HD2 ASN 49 HD21 ASN 49 -12.440 -11.200 -0.193 344 H THR 50 HN THR 50 -8.889 -8.847 -4.583 345 HA THR 50 HA THR 50 -8.731 -11.629 -5.325 346 HB THR 50 HB THR 50 -7.130 -9.710 -6.905 347 HG1 THR 50 HG1 THR 50 -8.611 -8.252 -7.087 348 1HG2 THR 50 HG23 THR 50 -9.082 -11.914 -7.284 349 2HG2 THR 50 HG22 THR 50 -9.061 -10.669 -8.532 350 3HG2 THR 50 HG21 THR 50 -7.590 -11.568 -8.158 351 H GLY 51 HN GLY 51 -7.318 -12.535 -3.680 352 1HA GLY 51 HA1 GLY 51 -5.232 -13.048 -2.701 353 2HA GLY 51 HA2 GLY 51 -4.672 -12.984 -4.374 354 H THR 52 HN THR 52 -6.039 -10.154 -2.862 355 HA THR 52 HA THR 52 -3.311 -9.032 -2.429 356 HB THR 52 HB THR 52 -5.554 -7.834 -4.074 357 HG1 THR 52 HG1 THR 52 -2.971 -8.792 -4.500 358 1HG2 THR 52 HG23 THR 52 -3.249 -6.544 -2.654 359 2HG2 THR 52 HG22 THR 52 -3.767 -5.905 -4.214 360 3HG2 THR 52 HG21 THR 52 -4.900 -5.958 -2.862 361 H GLU 53 HN GLU 53 -3.190 -7.903 -0.521 362 HA GLU 53 HA GLU 53 -5.754 -7.403 0.906 363 1HB GLU 53 HB1 GLU 53 -3.131 -7.185 2.310 364 2HB GLU 53 HB2 GLU 53 -4.667 -7.821 2.897 365 1HG GLU 53 HG1 GLU 53 -4.103 -9.620 0.931 366 2HG GLU 53 HG2 GLU 53 -2.474 -9.197 1.455 367 H ILE 54 HN ILE 54 -6.261 -5.329 0.023 368 HA ILE 54 HA ILE 54 -4.173 -3.247 0.341 369 HB ILE 54 HB ILE 54 -5.732 -3.638 -1.790 370 1HG1 ILE 54 HG11 ILE 54 -5.275 -0.807 -0.885 371 2HG1 ILE 54 HG12 ILE 54 -3.914 -1.869 -1.239 372 1HG2 ILE 54 HG21 ILE 54 -7.672 -2.905 0.024 373 2HG2 ILE 54 HG22 ILE 54 -7.306 -1.385 -0.792 374 3HG2 ILE 54 HG23 ILE 54 -7.819 -2.786 -1.727 375 1HD1 ILE 54 HD13 ILE 54 -6.144 -1.698 -3.229 376 2HD1 ILE 54 HD11 ILE 54 -4.989 -0.369 -3.146 377 3HD1 ILE 54 HD12 ILE 54 -4.429 -2.003 -3.497 378 H LYS 55 HN LYS 55 -4.902 -1.113 1.240 379 HA LYS 55 HA LYS 55 -7.202 -1.227 3.068 380 1HB LYS 55 HB1 LYS 55 -4.499 -0.640 4.258 381 2HB LYS 55 HB2 LYS 55 -5.999 -1.064 5.084 382 1HG LYS 55 HG1 LYS 55 -5.878 -3.339 4.136 383 2HG LYS 55 HG2 LYS 55 -4.387 -2.911 3.294 384 1HD LYS 55 HD1 LYS 55 -3.675 -2.193 5.783 385 2HD LYS 55 HD2 LYS 55 -4.853 -3.441 6.192 386 1HE LYS 55 HE1 LYS 55 -2.956 -4.143 4.025 387 2HE LYS 55 HE2 LYS 55 -2.238 -3.959 5.626 388 1HZ LYS 55 HZ1 LYS 55 -4.504 -5.366 6.108 389 2HZ LYS 55 HZ2 LYS 55 -3.977 -6.010 4.626 390 3HZ LYS 55 HZ3 LYS 55 -2.946 -6.025 5.977 391 H CYS 56 HN CYS 56 -6.846 0.934 4.563 392 HA CYS 56 HA CYS 56 -6.466 3.113 2.564 393 1HB CYS 56 HB1 CYS 56 -7.569 4.049 5.065 394 2HB CYS 56 HB2 CYS 56 -8.300 4.078 3.465 395 H CYS 57 HN CYS 57 -4.917 4.697 2.934 396 HA CYS 57 HA CYS 57 -3.619 4.867 5.571 397 1HB CYS 57 HB1 CYS 57 -2.416 3.009 4.526 398 2HB CYS 57 HB2 CYS 57 -2.113 3.988 3.092 399 H SER 58 HN SER 58 -2.842 6.911 5.911 400 HA SER 58 HA SER 58 -2.443 8.618 3.518 401 1HB SER 58 HB1 SER 58 -3.802 10.335 4.300 402 2HB SER 58 HB2 SER 58 -4.694 8.927 4.866 403 HG SER 58 HG SER 58 -4.050 9.264 6.874 404 H ALA 59 HN ALA 59 -1.109 7.331 6.230 405 HA ALA 59 HA ALA 59 1.158 9.154 6.089 406 1HB ALA 59 HB2 ALA 59 -0.663 9.219 8.506 407 2HB ALA 59 HB1 ALA 59 0.996 9.816 8.532 408 3HB ALA 59 HB3 ALA 59 -0.198 10.573 7.476 409 H ASP 60 HN ASP 60 0.883 8.030 9.238 410 HA ASP 60 HA ASP 60 2.560 5.670 8.595 411 1HB ASP 60 HB1 ASP 60 3.481 7.232 10.275 412 2HB ASP 60 HB2 ASP 60 2.009 7.075 11.236 413 H LYS 61 HN LYS 61 -0.251 5.769 8.085 414 HA LYS 61 HA LYS 61 -1.344 3.937 10.135 415 1HB LYS 61 HB1 LYS 61 -2.826 5.773 9.854 416 2HB LYS 61 HB2 LYS 61 -2.638 5.747 8.102 417 1HG LYS 61 HG1 LYS 61 -3.865 3.678 7.932 418 2HG LYS 61 HG2 LYS 61 -3.873 3.478 9.685 419 1HD LYS 61 HD1 LYS 61 -4.965 6.018 9.273 420 2HD LYS 61 HD2 LYS 61 -5.668 5.033 7.991 421 1HE LYS 61 HE1 LYS 61 -5.720 3.435 10.321 422 2HE LYS 61 HE2 LYS 61 -6.273 5.034 10.817 423 1HZ LYS 61 HZ3 LYS 61 -7.599 4.779 8.549 424 2HZ LYS 61 HZ1 LYS 61 -7.485 3.140 8.967 425 3HZ LYS 61 HZ2 LYS 61 -8.218 4.238 10.036 426 H CYS 62 HN CYS 62 0.243 3.848 7.265 427 HA CYS 62 HA CYS 62 -1.228 2.113 5.605 428 1HB CYS 62 HB1 CYS 62 1.738 2.405 6.095 429 2HB CYS 62 HB2 CYS 62 1.103 1.265 4.910 430 H ASN 63 HN ASN 63 0.614 1.429 8.529 431 HA ASN 63 HA ASN 63 0.085 -1.468 8.190 432 1HB ASN 63 HB1 ASN 63 1.631 -1.775 10.068 433 2HB ASN 63 HB2 ASN 63 2.377 -0.755 8.836 434 1HD2 ASN 63 HD22 ASN 63 2.994 1.715 11.263 435 2HD2 ASN 63 HD21 ASN 63 3.567 0.815 9.942 436 H THR 64 HN THR 64 -0.896 1.304 10.079 437 HA THR 64 HA THR 64 -2.514 1.526 11.765 438 HB THR 64 HB THR 64 -4.059 -0.815 11.383 439 HG1 THR 64 HG1 THR 64 -4.293 -0.402 9.014 440 1HG2 THR 64 HG22 THR 64 -4.365 1.895 11.568 441 2HG2 THR 64 HG21 THR 64 -4.743 1.614 9.868 442 3HG2 THR 64 HG23 THR 64 -5.654 0.776 11.125 443 H TYR 65 HN TYR 65 -0.556 0.856 13.183 444 HA TYR 65 HA TYR 65 -0.023 -1.618 14.169 445 1HB TYR 65 HB1 TYR 65 1.295 0.073 15.077 446 2HB TYR 65 HB2 TYR 65 -0.090 1.055 15.529 447 HD1 TYR 65 HD2 TYR 65 1.335 -2.350 16.220 448 HD2 TYR 65 HD1 TYR 65 -0.692 1.100 17.784 449 HE1 TYR 65 HE2 TYR 65 1.382 -3.352 18.489 450 HE2 TYR 65 HE1 TYR 65 -0.646 0.099 20.054 451 HH TYR 65 HH TYR 65 -0.505 -2.463 20.930 452 HA PRO 66 HA PRO 66 -3.759 -1.493 17.146 453 1HB PRO 66 HB1 PRO 66 -5.618 0.498 16.748 454 2HB PRO 66 HB2 PRO 66 -4.243 0.641 17.857 455 1HG PRO 66 HG1 PRO 66 -4.645 1.861 15.154 456 2HG PRO 66 HG2 PRO 66 -3.681 2.453 16.518 457 1HD PRO 66 HD1 PRO 66 -2.690 1.134 14.216 458 2HD PRO 66 HD2 PRO 66 -1.795 1.426 15.718 No H/Q in entry = 458 Start of MODEL 17 1 1H ARG 1 HT2 ARG 1 2.462 15.524 -0.794 2 2H ARG 1 HT3 ARG 1 3.301 16.062 -2.171 3 3H ARG 1 HT1 ARG 1 1.928 15.081 -2.345 4 HA ARG 1 HA ARG 1 3.436 13.454 -2.579 5 1HB ARG 1 HB1 ARG 1 5.167 15.546 -1.849 6 2HB ARG 1 HB2 ARG 1 5.529 14.226 -0.733 7 1HG ARG 1 HG1 ARG 1 6.359 12.896 -2.390 8 2HG ARG 1 HG2 ARG 1 5.130 13.409 -3.547 9 1HD ARG 1 HD1 ARG 1 6.343 15.327 -4.167 10 2HD ARG 1 HD2 ARG 1 7.311 15.306 -2.693 11 HE ARG 1 HE ARG 1 8.071 12.971 -3.882 12 1HH1 ARG 1 HH21 ARG 1 6.988 14.723 -6.297 13 2HH1 ARG 1 HH22 ARG 1 8.505 15.242 -6.954 14 1HH2 ARG 1 HH11 ARG 1 10.340 14.270 -4.177 15 2HH2 ARG 1 HH12 ARG 1 10.403 14.985 -5.754 16 H GLU 2 HN GLU 2 2.284 11.908 -1.482 17 HA GLU 2 HA GLU 2 2.741 11.722 1.467 18 1HB GLU 2 HB1 GLU 2 0.247 11.263 -0.167 19 2HB GLU 2 HB2 GLU 2 0.468 10.447 1.381 20 1HG GLU 2 HG1 GLU 2 -0.326 12.326 2.354 21 2HG GLU 2 HG2 GLU 2 1.188 13.102 1.888 22 H CYS 3 HN CYS 3 2.717 9.442 2.251 23 HA CYS 3 HA CYS 3 3.102 7.117 2.010 24 1HB CYS 3 HB1 CYS 3 3.414 7.489 -0.965 25 2HB CYS 3 HB2 CYS 3 2.940 6.034 -0.087 26 H TYR 4 HN TYR 4 4.896 9.152 -0.247 27 HA TYR 4 HA TYR 4 7.173 9.094 -0.843 28 1HB TYR 4 HB1 TYR 4 8.501 9.334 1.492 29 2HB TYR 4 HB2 TYR 4 7.593 10.659 0.765 30 HD1 TYR 4 HD2 TYR 4 5.023 10.764 1.389 31 HD2 TYR 4 HD1 TYR 4 7.976 8.643 3.682 32 HE1 TYR 4 HE2 TYR 4 3.530 10.823 3.371 33 HE2 TYR 4 HE1 TYR 4 6.482 8.702 5.662 34 HH TYR 4 HH TYR 4 3.339 9.210 5.577 35 H LEU 5 HN LEU 5 7.935 7.494 2.215 36 HA LEU 5 HA LEU 5 8.419 5.077 0.732 37 1HB LEU 5 HB1 LEU 5 10.659 6.132 2.332 38 2HB LEU 5 HB2 LEU 5 10.665 4.879 1.103 39 HG LEU 5 HG LEU 5 9.863 7.665 0.378 40 1HD1 LEU 5 HD12 LEU 5 12.588 6.668 1.046 41 2HD1 LEU 5 HD11 LEU 5 12.430 7.689 -0.384 42 3HD1 LEU 5 HD13 LEU 5 11.923 8.294 1.193 43 1HD2 LEU 5 HD23 LEU 5 9.868 5.349 -1.019 44 2HD2 LEU 5 HD21 LEU 5 10.115 6.925 -1.773 45 3HD2 LEU 5 HD22 LEU 5 11.503 5.915 -1.363 46 H ASN 6 HN ASN 6 6.657 4.419 2.232 47 HA ASN 6 HA ASN 6 7.050 4.221 5.070 48 1HB ASN 6 HB1 ASN 6 5.642 1.952 3.785 49 2HB ASN 6 HB2 ASN 6 5.070 3.041 5.044 50 1HD2 ASN 6 HD22 ASN 6 3.814 3.564 1.278 51 2HD2 ASN 6 HD21 ASN 6 4.651 2.181 1.798 52 HA PRO 7 HA PRO 7 9.754 0.651 5.077 53 1HB PRO 7 HB1 PRO 7 8.465 -1.468 6.277 54 2HB PRO 7 HB2 PRO 7 9.092 -0.069 7.166 55 1HG PRO 7 HG1 PRO 7 6.276 -0.786 6.500 56 2HG PRO 7 HG2 PRO 7 6.891 0.230 7.814 57 1HD PRO 7 HD1 PRO 7 5.728 1.104 5.362 58 2HD PRO 7 HD2 PRO 7 6.522 2.128 6.576 59 H HIS 8 HN HIS 8 8.436 0.909 2.613 60 HA HIS 8 HA HIS 8 8.696 -1.753 1.473 61 1HB HIS 8 HB1 HIS 8 6.041 -0.494 1.978 62 2HB HIS 8 HB2 HIS 8 6.270 -1.287 0.424 63 HD1 HIS 8 HD1 HIS 8 4.362 -2.475 2.587 64 HD2 HIS 8 HD2 HIS 8 8.341 -3.616 2.092 65 HE1 HIS 8 HE1 HIS 8 4.573 -4.790 3.592 66 H ASP 9 HN ASP 9 7.494 -1.289 -0.975 67 HA ASP 9 HA ASP 9 9.354 0.348 -2.341 68 1HB ASP 9 HB1 ASP 9 7.608 -1.434 -3.209 69 2HB ASP 9 HB2 ASP 9 6.589 -0.013 -3.447 70 H THR 10 HN THR 10 5.897 1.118 -1.758 71 HA THR 10 HA THR 10 4.930 3.178 -1.168 72 HB THR 10 HB THR 10 7.400 4.795 -1.520 73 HG1 THR 10 HG1 THR 10 7.134 2.683 0.355 74 1HG2 THR 10 HG23 THR 10 5.152 4.515 0.448 75 2HG2 THR 10 HG22 THR 10 6.596 5.419 0.861 76 3HG2 THR 10 HG21 THR 10 5.624 5.916 -0.509 77 H GLN 11 HN GLN 11 4.993 5.574 -2.210 78 HA GLN 11 HA GLN 11 5.845 5.981 -4.853 79 1HB GLN 11 HB1 GLN 11 4.466 4.191 -5.624 80 2HB GLN 11 HB2 GLN 11 3.131 4.674 -4.577 81 1HG GLN 11 HG1 GLN 11 2.344 6.106 -6.133 82 2HG GLN 11 HG2 GLN 11 3.930 6.854 -6.325 83 1HE2 GLN 11 HE22 GLN 11 2.604 4.502 -9.244 84 2HE2 GLN 11 HE21 GLN 11 1.618 5.218 -8.063 85 H THR 12 HN THR 12 6.088 8.069 -3.902 86 HA THR 12 HA THR 12 4.380 9.591 -2.431 87 HB THR 12 HB THR 12 5.442 11.516 -3.264 88 HG1 THR 12 HG1 THR 12 5.712 11.803 -5.318 89 1HG2 THR 12 HG22 THR 12 6.914 9.230 -2.690 90 2HG2 THR 12 HG21 THR 12 7.654 9.846 -4.167 91 3HG2 THR 12 HG23 THR 12 7.539 10.878 -2.741 92 H CYS 13 HN CYS 13 2.926 11.393 -3.093 93 HA CYS 13 HA CYS 13 1.450 10.968 -5.620 94 1HB CYS 13 HB1 CYS 13 0.293 9.511 -4.064 95 2HB CYS 13 HB2 CYS 13 0.250 10.784 -2.846 96 HA PRO 14 HA PRO 14 1.917 15.369 -4.202 97 1HB PRO 14 HB1 PRO 14 3.303 16.206 -6.432 98 2HB PRO 14 HB2 PRO 14 4.078 15.599 -4.958 99 1HG PRO 14 HG1 PRO 14 3.706 14.254 -7.605 100 2HG PRO 14 HG2 PRO 14 4.968 14.001 -6.389 101 1HD PRO 14 HD1 PRO 14 2.705 12.346 -6.826 102 2HD PRO 14 HD2 PRO 14 3.780 12.291 -5.412 103 H SER 15 HN SER 15 0.604 13.666 -6.867 104 HA SER 15 HA SER 15 -1.176 15.980 -7.458 105 1HB SER 15 HB1 SER 15 -0.966 15.719 -9.810 106 2HB SER 15 HB2 SER 15 0.688 15.677 -9.203 107 HG SER 15 HG SER 15 -0.067 13.947 -10.724 108 H GLY 16 HN GLY 16 -2.999 14.997 -9.063 109 1HA GLY 16 HA1 GLY 16 -4.738 13.434 -9.334 110 2HA GLY 16 HA2 GLY 16 -3.673 12.213 -8.636 111 H GLN 17 HN GLN 17 -5.028 11.325 -7.086 112 HA GLN 17 HA GLN 17 -6.802 12.906 -5.440 113 1HB GLN 17 HB1 GLN 17 -5.735 10.095 -5.031 114 2HB GLN 17 HB2 GLN 17 -7.082 10.814 -4.146 115 1HG GLN 17 HG1 GLN 17 -8.497 10.281 -5.817 116 2HG GLN 17 HG2 GLN 17 -7.502 11.165 -6.974 117 1HE2 GLN 17 HE22 GLN 17 -6.374 8.192 -8.470 118 2HE2 GLN 17 HE21 GLN 17 -6.695 9.852 -8.614 119 H GLU 18 HN GLU 18 -6.286 11.899 -2.849 120 HA GLU 18 HA GLU 18 -3.548 12.873 -2.208 121 1HB GLU 18 HB1 GLU 18 -4.378 14.376 -0.494 122 2HB GLU 18 HB2 GLU 18 -5.180 14.781 -2.013 123 1HG GLU 18 HG1 GLU 18 -7.121 14.568 -0.865 124 2HG GLU 18 HG2 GLU 18 -6.826 12.830 -0.922 125 H ILE 19 HN ILE 19 -5.436 10.339 -2.070 126 HA ILE 19 HA ILE 19 -5.027 9.725 0.821 127 HB ILE 19 HB ILE 19 -6.484 8.038 -1.203 128 1HG1 ILE 19 HG11 ILE 19 -7.171 10.672 -0.511 129 2HG1 ILE 19 HG12 ILE 19 -8.222 9.484 -1.266 130 1HG2 ILE 19 HG21 ILE 19 -6.530 8.274 1.816 131 2HG2 ILE 19 HG22 ILE 19 -7.698 7.322 0.898 132 3HG2 ILE 19 HG23 ILE 19 -5.986 6.897 0.856 133 1HD1 ILE 19 HD13 ILE 19 -7.887 9.793 1.732 134 2HD1 ILE 19 HD11 ILE 19 -9.203 10.509 0.801 135 3HD1 ILE 19 HD12 ILE 19 -9.047 8.755 0.903 136 H CYS 20 HN CYS 20 -4.151 7.629 1.342 137 HA CYS 20 HA CYS 20 -2.289 6.584 -0.757 138 1HB CYS 20 HB1 CYS 20 -1.279 7.937 1.233 139 2HB CYS 20 HB2 CYS 20 -1.646 6.503 2.188 140 H TYR 21 HN TYR 21 -2.966 4.531 -1.277 141 HA TYR 21 HA TYR 21 -4.363 2.992 0.853 142 1HB TYR 21 HB1 TYR 21 -5.260 1.604 -0.836 143 2HB TYR 21 HB2 TYR 21 -5.278 3.205 -1.566 144 HD1 TYR 21 HD2 TYR 21 -3.072 0.175 -1.263 145 HD2 TYR 21 HD1 TYR 21 -4.309 3.521 -3.652 146 HE1 TYR 21 HE2 TYR 21 -1.662 -0.640 -3.133 147 HE2 TYR 21 HE1 TYR 21 -2.900 2.706 -5.525 148 HH TYR 21 HH TYR 21 -1.464 -0.432 -5.509 149 H VAL 22 HN VAL 22 -3.660 0.727 1.214 150 HA VAL 22 HA VAL 22 -0.767 0.406 0.544 151 HB VAL 22 HB VAL 22 -0.266 -0.296 2.751 152 1HG1 VAL 22 HG11 VAL 22 -2.293 1.961 2.858 153 2HG1 VAL 22 HG12 VAL 22 -1.235 1.535 4.201 154 3HG1 VAL 22 HG13 VAL 22 -0.547 2.113 2.683 155 1HG2 VAL 22 HG23 VAL 22 -3.239 -0.658 2.973 156 2HG2 VAL 22 HG22 VAL 22 -1.953 -1.815 3.320 157 3HG2 VAL 22 HG21 VAL 22 -2.254 -0.472 4.424 158 H LYS 23 HN LYS 23 -0.649 -1.285 -0.833 159 HA LYS 23 HA LYS 23 -2.571 -3.541 -0.504 160 1HB LYS 23 HB1 LYS 23 -0.884 -2.517 -2.776 161 2HB LYS 23 HB2 LYS 23 -1.398 -4.205 -2.770 162 1HG LYS 23 HG1 LYS 23 -3.626 -2.518 -2.072 163 2HG LYS 23 HG2 LYS 23 -2.907 -1.948 -3.578 164 1HD LYS 23 HD1 LYS 23 -3.601 -4.851 -3.053 165 2HD LYS 23 HD2 LYS 23 -4.686 -3.725 -3.870 166 1HE LYS 23 HE1 LYS 23 -2.986 -3.319 -5.598 167 2HE LYS 23 HE2 LYS 23 -1.863 -4.393 -4.765 168 1HZ LYS 23 HZ2 LYS 23 -4.523 -5.219 -5.793 169 2HZ LYS 23 HZ3 LYS 23 -3.058 -5.466 -6.617 170 3HZ LYS 23 HZ1 LYS 23 -3.330 -6.229 -5.127 171 H SER 24 HN SER 24 -1.826 -5.500 0.266 172 HA SER 24 HA SER 24 1.122 -5.891 0.276 173 1HB SER 24 HB1 SER 24 -0.744 -6.345 2.618 174 2HB SER 24 HB2 SER 24 0.956 -6.802 2.584 175 HG SER 24 HG SER 24 1.225 -4.853 3.317 176 H TRP 25 HN TRP 25 1.417 -7.648 -0.982 177 HA TRP 25 HA TRP 25 -0.147 -10.102 -0.322 178 1HB TRP 25 HB1 TRP 25 -0.410 -10.605 -2.713 179 2HB TRP 25 HB2 TRP 25 -1.162 -9.056 -2.329 180 HD1 TRP 25 HD1 TRP 25 1.436 -10.577 -4.524 181 HE1 TRP 25 HE1 TRP 25 2.637 -8.703 -5.840 182 HE3 TRP 25 HE3 TRP 25 -0.258 -6.576 -1.954 183 HZ2 TRP 25 HZ2 TRP 25 2.843 -5.820 -5.760 184 HZ3 TRP 25 HZ3 TRP 25 0.438 -4.319 -2.527 185 HH2 TRP 25 HH2 TRP 25 1.986 -3.893 -4.433 186 H CYS 26 HN CYS 26 1.109 -11.944 -0.334 187 HA CYS 26 HA CYS 26 3.904 -11.709 -1.388 188 1HB CYS 26 HB1 CYS 26 3.080 -12.040 1.318 189 2HB CYS 26 HB2 CYS 26 3.770 -13.575 0.789 190 H ASN 27 HN ASN 27 4.668 -14.329 -0.885 191 HA ASN 27 HA ASN 27 2.782 -15.843 -2.642 192 1HB ASN 27 HB1 ASN 27 5.651 -15.439 -2.718 193 2HB ASN 27 HB2 ASN 27 5.266 -17.158 -2.619 194 1HD2 ASN 27 HD22 ASN 27 3.619 -15.112 -5.800 195 2HD2 ASN 27 HD21 ASN 27 3.692 -14.355 -4.284 196 H ALA 28 HN ALA 28 3.416 -15.568 0.494 197 HA ALA 28 HA ALA 28 2.852 -17.013 2.263 198 1HB ALA 28 HB3 ALA 28 1.819 -18.356 0.033 199 2HB ALA 28 HB2 ALA 28 2.815 -19.547 0.867 200 3HB ALA 28 HB1 ALA 28 1.507 -18.737 1.727 201 H TRP 29 HN TRP 29 5.525 -16.983 0.445 202 HA TRP 29 HA TRP 29 6.971 -18.734 2.356 203 1HB TRP 29 HB1 TRP 29 7.234 -18.782 -0.641 204 2HB TRP 29 HB2 TRP 29 8.338 -19.564 0.459 205 HD1 TRP 29 HD1 TRP 29 4.460 -19.532 -0.021 206 HE1 TRP 29 HE1 TRP 29 3.649 -21.967 0.304 207 HE3 TRP 29 HE3 TRP 29 8.882 -21.739 0.986 208 HZ2 TRP 29 HZ2 TRP 29 4.781 -24.547 0.924 209 HZ3 TRP 29 HZ3 TRP 29 9.039 -24.189 1.449 210 HH2 TRP 29 HH2 TRP 29 6.986 -25.591 1.417 211 H CYS 30 HN CYS 30 6.635 -15.751 1.886 212 HA CYS 30 HA CYS 30 9.105 -14.753 0.811 213 1HB CYS 30 HB1 CYS 30 7.106 -13.453 2.671 214 2HB CYS 30 HB2 CYS 30 8.374 -12.626 1.781 215 H SER 31 HN SER 31 9.344 -16.775 3.159 216 HA SER 31 HA SER 31 10.145 -15.594 5.541 217 1HB SER 31 HB1 SER 31 10.214 -18.036 5.136 218 2HB SER 31 HB2 SER 31 11.599 -17.817 4.071 219 HG SER 31 HG SER 31 11.522 -17.914 6.769 220 H SER 32 HN SER 32 11.097 -13.562 5.293 221 HA SER 32 HA SER 32 12.710 -11.971 4.658 222 1HB SER 32 HB1 SER 32 14.889 -13.943 4.827 223 2HB SER 32 HB2 SER 32 14.682 -12.417 5.681 224 HG SER 32 HG SER 32 14.507 -14.217 7.087 225 H ARG 33 HN ARG 33 11.955 -11.980 2.486 226 HA ARG 33 HA ARG 33 14.031 -12.941 0.586 227 1HB ARG 33 HB1 ARG 33 11.198 -13.789 0.687 228 2HB ARG 33 HB2 ARG 33 11.781 -13.315 -0.909 229 1HG ARG 33 HG1 ARG 33 13.082 -15.161 -1.086 230 2HG ARG 33 HG2 ARG 33 13.695 -14.983 0.559 231 1HD ARG 33 HD1 ARG 33 11.516 -15.909 1.397 232 2HD ARG 33 HD2 ARG 33 11.051 -16.215 -0.276 233 HE ARG 33 HE ARG 33 12.917 -17.801 1.285 234 1HH1 ARG 33 HH21 ARG 33 14.453 -16.776 -1.130 235 2HH1 ARG 33 HH22 ARG 33 14.154 -18.034 -2.282 236 1HH2 ARG 33 HH11 ARG 33 11.498 -19.389 -0.511 237 2HH2 ARG 33 HH12 ARG 33 12.482 -19.514 -1.931 238 H GLY 34 HN GLY 34 10.912 -11.694 -0.404 239 1HA GLY 34 HA1 GLY 34 11.693 -8.909 -0.488 240 2HA GLY 34 HA2 GLY 34 11.883 -9.676 -2.066 241 H LYS 35 HN LYS 35 9.437 -9.751 0.558 242 HA LYS 35 HA LYS 35 7.177 -10.390 -0.914 243 1HB LYS 35 HB1 LYS 35 7.118 -8.138 1.100 244 2HB LYS 35 HB2 LYS 35 5.876 -9.348 0.776 245 1HG LYS 35 HG1 LYS 35 6.758 -10.571 2.456 246 2HG LYS 35 HG2 LYS 35 8.180 -10.814 1.442 247 1HD LYS 35 HD1 LYS 35 8.727 -8.344 2.379 248 2HD LYS 35 HD2 LYS 35 7.770 -8.954 3.730 249 1HE LYS 35 HE1 LYS 35 9.409 -10.384 4.373 250 2HE LYS 35 HE2 LYS 35 9.719 -10.904 2.716 251 1HZ LYS 35 HZ2 LYS 35 10.577 -8.280 2.888 252 2HZ LYS 35 HZ3 LYS 35 11.154 -9.045 4.292 253 3HZ LYS 35 HZ1 LYS 35 11.542 -9.673 2.764 254 H VAL 36 HN VAL 36 5.575 -9.117 -2.032 255 HA VAL 36 HA VAL 36 6.725 -6.669 -3.299 256 HB VAL 36 HB VAL 36 4.224 -7.745 -4.424 257 1HG1 VAL 36 HG13 VAL 36 6.937 -6.873 -5.399 258 2HG1 VAL 36 HG12 VAL 36 5.810 -7.680 -6.487 259 3HG1 VAL 36 HG11 VAL 36 5.362 -6.153 -5.727 260 1HG2 VAL 36 HG21 VAL 36 6.600 -9.508 -3.997 261 2HG2 VAL 36 HG23 VAL 36 4.892 -9.934 -4.094 262 3HG2 VAL 36 HG22 VAL 36 5.799 -9.588 -5.566 263 H LEU 37 HN LEU 37 5.964 -5.964 -0.912 264 HA LEU 37 HA LEU 37 3.097 -5.201 -0.975 265 1HB LEU 37 HB1 LEU 37 5.185 -5.488 1.181 266 2HB LEU 37 HB2 LEU 37 3.679 -4.637 1.475 267 HG LEU 37 HG LEU 37 2.403 -6.570 1.325 268 1HD1 LEU 37 HD13 LEU 37 3.163 -7.151 -0.973 269 2HD1 LEU 37 HD12 LEU 37 4.615 -7.878 -0.288 270 3HD1 LEU 37 HD11 LEU 37 3.031 -8.573 0.059 271 1HD2 LEU 37 HD22 LEU 37 5.121 -7.186 2.377 272 2HD2 LEU 37 HD21 LEU 37 3.574 -7.132 3.223 273 3HD2 LEU 37 HD23 LEU 37 3.975 -8.515 2.205 274 H GLU 38 HN GLU 38 2.846 -3.190 -1.911 275 HA GLU 38 HA GLU 38 4.601 -0.991 -0.903 276 1HB GLU 38 HB1 GLU 38 4.561 -0.018 -3.228 277 2HB GLU 38 HB2 GLU 38 5.473 -1.523 -3.101 278 1HG GLU 38 HG1 GLU 38 3.096 -2.584 -3.686 279 2HG GLU 38 HG2 GLU 38 2.838 -0.998 -4.415 280 H PHE 39 HN PHE 39 3.566 1.112 -0.961 281 HA PHE 39 HA PHE 39 0.608 0.945 -1.190 282 1HB PHE 39 HB1 PHE 39 2.115 2.871 0.585 283 2HB PHE 39 HB2 PHE 39 0.402 2.454 0.650 284 HD1 PHE 39 HD2 PHE 39 0.869 -0.574 0.150 285 HD2 PHE 39 HD1 PHE 39 2.608 2.235 2.895 286 HE1 PHE 39 HE2 PHE 39 1.394 -2.428 1.708 287 HE2 PHE 39 HE1 PHE 39 3.134 0.380 4.457 288 HZ PHE 39 HZ PHE 39 2.528 -1.955 3.862 289 H GLY 40 HN GLY 40 -0.442 2.744 -2.222 290 1HA GLY 40 HA1 GLY 40 1.417 4.729 -3.462 291 2HA GLY 40 HA2 GLY 40 0.223 3.890 -4.449 292 H CYS 41 HN CYS 41 -0.870 5.840 -4.994 293 HA CYS 41 HA CYS 41 -2.055 7.406 -2.778 294 1HB CYS 41 HB1 CYS 41 -0.893 8.373 -4.905 295 2HB CYS 41 HB2 CYS 41 -2.397 7.989 -5.710 296 H ALA 42 HN ALA 42 -4.367 8.149 -3.475 297 HA ALA 42 HA ALA 42 -6.090 6.516 -5.005 298 1HB ALA 42 HB1 ALA 42 -5.320 5.383 -2.419 299 2HB ALA 42 HB3 ALA 42 -7.066 5.545 -2.601 300 3HB ALA 42 HB2 ALA 42 -6.139 4.617 -3.780 301 H ALA 43 HN ALA 43 -8.428 6.617 -3.921 302 HA ALA 43 HA ALA 43 -8.783 9.430 -3.032 303 1HB ALA 43 HB3 ALA 43 -9.991 7.917 -5.119 304 2HB ALA 43 HB2 ALA 43 -11.236 8.249 -3.915 305 3HB ALA 43 HB1 ALA 43 -10.338 9.580 -4.646 306 H THR 44 HN THR 44 -9.975 6.103 -2.524 307 HA THR 44 HA THR 44 -10.502 6.785 0.292 308 HB THR 44 HB THR 44 -12.610 7.357 -0.944 309 HG1 THR 44 HG1 THR 44 -12.750 5.074 0.733 310 1HG2 THR 44 HG22 THR 44 -12.361 4.451 -1.713 311 2HG2 THR 44 HG21 THR 44 -13.923 5.271 -1.701 312 3HG2 THR 44 HG23 THR 44 -12.635 5.842 -2.762 313 H CYS 45 HN CYS 45 -10.588 4.917 1.615 314 HA CYS 45 HA CYS 45 -8.999 2.811 1.188 315 1HB CYS 45 HB1 CYS 45 -10.310 3.392 3.263 316 2HB CYS 45 HB2 CYS 45 -11.659 2.509 2.556 317 HA PRO 46 HA PRO 46 -11.265 0.757 -2.145 318 1HB PRO 46 HB1 PRO 46 -9.132 -0.767 -2.985 319 2HB PRO 46 HB2 PRO 46 -9.396 0.915 -3.475 320 1HG PRO 46 HG1 PRO 46 -7.393 -0.209 -1.583 321 2HG PRO 46 HG2 PRO 46 -7.349 1.312 -2.483 322 1HD PRO 46 HD1 PRO 46 -8.018 0.944 0.276 323 2HD PRO 46 HD2 PRO 46 -8.117 2.451 -0.659 324 H SER 47 HN SER 47 -11.093 -1.814 -2.797 325 HA SER 47 HA SER 47 -11.451 -3.272 -0.213 326 1HB SER 47 HB1 SER 47 -13.006 -4.698 -1.335 327 2HB SER 47 HB2 SER 47 -13.411 -3.059 -1.835 328 HG SER 47 HG SER 47 -13.262 -4.003 -3.734 329 H VAL 48 HN VAL 48 -11.418 -5.875 -1.532 330 HA VAL 48 HA VAL 48 -8.481 -6.098 -1.919 331 HB VAL 48 HB VAL 48 -10.575 -8.056 -1.084 332 1HG1 VAL 48 HG12 VAL 48 -7.900 -8.512 -2.281 333 2HG1 VAL 48 HG11 VAL 48 -8.290 -9.472 -0.853 334 3HG1 VAL 48 HG13 VAL 48 -9.321 -9.556 -2.281 335 1HG2 VAL 48 HG22 VAL 48 -9.371 -6.369 0.495 336 2HG2 VAL 48 HG21 VAL 48 -9.480 -8.058 0.991 337 3HG2 VAL 48 HG23 VAL 48 -7.983 -7.437 0.297 338 H ASN 49 HN ASN 49 -8.075 -5.866 -4.099 339 HA ASN 49 HA ASN 49 -9.853 -6.656 -6.165 340 1HB ASN 49 HB1 ASN 49 -8.081 -5.026 -6.568 341 2HB ASN 49 HB2 ASN 49 -6.854 -6.247 -6.235 342 1HD2 ASN 49 HD21 ASN 49 -9.773 -5.934 -8.355 343 2HD2 ASN 49 HD22 ASN 49 -9.035 -6.630 -9.716 344 H THR 50 HN THR 50 -6.720 -8.082 -6.580 345 HA THR 50 HA THR 50 -7.894 -10.684 -7.092 346 HB THR 50 HB THR 50 -5.799 -9.682 -8.182 347 HG1 THR 50 HG1 THR 50 -6.489 -11.970 -8.136 348 1HG2 THR 50 HG23 THR 50 -4.971 -9.637 -5.474 349 2HG2 THR 50 HG22 THR 50 -3.975 -10.844 -6.287 350 3HG2 THR 50 HG21 THR 50 -4.028 -9.190 -6.895 351 H GLY 51 HN GLY 51 -5.469 -12.019 -5.740 352 1HA GLY 51 HA1 GLY 51 -6.811 -12.439 -3.148 353 2HA GLY 51 HA2 GLY 51 -5.449 -13.373 -3.774 354 H THR 52 HN THR 52 -5.737 -9.848 -3.518 355 HA THR 52 HA THR 52 -3.305 -9.846 -1.797 356 HB THR 52 HB THR 52 -4.463 -7.872 -3.779 357 HG1 THR 52 HG1 THR 52 -2.369 -9.613 -3.645 358 1HG2 THR 52 HG22 THR 52 -2.432 -7.397 -1.585 359 2HG2 THR 52 HG21 THR 52 -2.509 -6.392 -3.032 360 3HG2 THR 52 HG23 THR 52 -3.890 -6.468 -1.936 361 H GLU 53 HN GLU 53 -3.275 -8.238 -0.027 362 HA GLU 53 HA GLU 53 -6.016 -7.793 1.039 363 1HB GLU 53 HB1 GLU 53 -5.052 -7.759 3.225 364 2HB GLU 53 HB2 GLU 53 -4.277 -9.101 2.384 365 1HG GLU 53 HG1 GLU 53 -2.560 -7.156 1.701 366 2HG GLU 53 HG2 GLU 53 -3.146 -6.467 3.215 367 H ILE 54 HN ILE 54 -6.770 -5.738 0.700 368 HA ILE 54 HA ILE 54 -4.779 -3.557 0.446 369 HB ILE 54 HB ILE 54 -7.345 -4.179 -0.772 370 1HG1 ILE 54 HG11 ILE 54 -5.417 -1.921 -1.357 371 2HG1 ILE 54 HG12 ILE 54 -5.135 -3.588 -1.858 372 1HG2 ILE 54 HG23 ILE 54 -7.058 -1.511 0.609 373 2HG2 ILE 54 HG22 ILE 54 -8.088 -1.717 -0.807 374 3HG2 ILE 54 HG21 ILE 54 -8.419 -2.627 0.668 375 1HD1 ILE 54 HD12 ILE 54 -7.786 -2.384 -2.518 376 2HD1 ILE 54 HD13 ILE 54 -6.392 -1.837 -3.447 377 3HD1 ILE 54 HD11 ILE 54 -6.824 -3.547 -3.427 378 H LYS 55 HN LYS 55 -5.189 -1.559 1.637 379 HA LYS 55 HA LYS 55 -7.060 -1.715 3.905 380 1HB LYS 55 HB1 LYS 55 -4.102 -1.913 4.140 381 2HB LYS 55 HB2 LYS 55 -4.918 -0.857 5.295 382 1HG LYS 55 HG1 LYS 55 -6.430 -3.279 5.022 383 2HG LYS 55 HG2 LYS 55 -4.745 -3.700 5.328 384 1HD LYS 55 HD1 LYS 55 -4.929 -3.065 7.484 385 2HD LYS 55 HD2 LYS 55 -5.542 -1.481 7.006 386 1HE LYS 55 HE1 LYS 55 -7.529 -2.123 7.870 387 2HE LYS 55 HE2 LYS 55 -7.667 -3.221 6.498 388 1HZ LYS 55 HZ3 LYS 55 -6.185 -4.732 7.975 389 2HZ LYS 55 HZ1 LYS 55 -6.788 -3.781 9.244 390 3HZ LYS 55 HZ2 LYS 55 -7.860 -4.653 8.256 391 H CYS 56 HN CYS 56 -6.942 0.444 5.146 392 HA CYS 56 HA CYS 56 -6.726 2.605 3.116 393 1HB CYS 56 HB1 CYS 56 -7.839 3.320 5.744 394 2HB CYS 56 HB2 CYS 56 -8.503 3.590 4.136 395 H CYS 57 HN CYS 57 -5.095 4.058 3.247 396 HA CYS 57 HA CYS 57 -3.786 4.532 5.876 397 1HB CYS 57 HB1 CYS 57 -2.480 2.761 4.782 398 2HB CYS 57 HB2 CYS 57 -2.331 3.754 3.332 399 H SER 58 HN SER 58 -2.472 6.446 5.852 400 HA SER 58 HA SER 58 -2.221 8.233 3.676 401 1HB SER 58 HB1 SER 58 -4.797 8.160 4.058 402 2HB SER 58 HB2 SER 58 -4.454 9.133 5.485 403 HG SER 58 HG SER 58 -3.658 10.733 4.256 404 H ALA 59 HN ALA 59 -1.139 7.236 6.435 405 HA ALA 59 HA ALA 59 0.029 9.862 7.124 406 1HB ALA 59 HB2 ALA 59 -1.990 8.463 8.834 407 2HB ALA 59 HB3 ALA 59 -0.657 9.307 9.620 408 3HB ALA 59 HB1 ALA 59 -1.760 10.190 8.566 409 H ASP 60 HN ASP 60 1.608 7.974 6.197 410 HA ASP 60 HA ASP 60 3.180 6.277 6.658 411 1HB ASP 60 HB1 ASP 60 4.446 8.138 7.275 412 2HB ASP 60 HB2 ASP 60 3.404 8.496 8.639 413 H LYS 61 HN LYS 61 0.518 5.820 7.641 414 HA LYS 61 HA LYS 61 1.049 4.224 10.078 415 1HB LYS 61 HB1 LYS 61 -0.607 5.684 10.791 416 2HB LYS 61 HB2 LYS 61 -1.294 5.845 9.177 417 1HG LYS 61 HG1 LYS 61 -2.223 3.564 9.344 418 2HG LYS 61 HG2 LYS 61 -1.534 3.401 10.960 419 1HD LYS 61 HD1 LYS 61 -3.034 5.854 10.805 420 2HD LYS 61 HD2 LYS 61 -4.045 4.518 10.252 421 1HE LYS 61 HE1 LYS 61 -3.813 3.350 12.295 422 2HE LYS 61 HE2 LYS 61 -2.406 4.298 12.776 423 1HZ LYS 61 HZ1 LYS 61 -3.892 6.262 12.858 424 2HZ LYS 61 HZ2 LYS 61 -5.216 5.231 12.594 425 3HZ LYS 61 HZ3 LYS 61 -4.277 5.069 14.000 426 H CYS 62 HN CYS 62 0.740 4.021 6.838 427 HA CYS 62 HA CYS 62 -1.079 2.118 6.080 428 1HB CYS 62 HB1 CYS 62 1.875 2.015 5.397 429 2HB CYS 62 HB2 CYS 62 0.570 1.300 4.457 430 H ASN 63 HN ASN 63 1.650 1.621 8.225 431 HA ASN 63 HA ASN 63 0.718 -1.170 8.643 432 1HB ASN 63 HB1 ASN 63 3.115 -1.770 9.041 433 2HB ASN 63 HB2 ASN 63 2.793 -1.275 7.381 434 1HD2 ASN 63 HD22 ASN 63 4.612 1.810 7.700 435 2HD2 ASN 63 HD21 ASN 63 3.344 1.065 6.852 436 H THR 64 HN THR 64 -0.349 -0.774 10.594 437 HA THR 64 HA THR 64 1.307 0.452 12.767 438 HB THR 64 HB THR 64 -1.453 0.400 13.477 439 HG1 THR 64 HG1 THR 64 -2.176 0.524 11.467 440 1HG2 THR 64 HG21 THR 64 0.819 2.233 13.184 441 2HG2 THR 64 HG23 THR 64 -0.751 3.006 12.964 442 3HG2 THR 64 HG22 THR 64 -0.395 2.141 14.460 443 H TYR 65 HN TYR 65 1.028 -0.494 14.900 444 HA TYR 65 HA TYR 65 1.465 -3.080 15.332 445 1HB TYR 65 HB1 TYR 65 1.292 -1.588 17.205 446 2HB TYR 65 HB2 TYR 65 -0.434 -1.357 16.926 447 HD1 TYR 65 HD1 TYR 65 2.119 -3.961 17.752 448 HD2 TYR 65 HD2 TYR 65 -2.018 -2.810 17.907 449 HE1 TYR 65 HE1 TYR 65 1.627 -5.925 19.184 450 HE2 TYR 65 HE2 TYR 65 -2.511 -4.776 19.339 451 HH TYR 65 HH TYR 65 0.080 -7.022 20.331 452 HA PRO 66 HA PRO 66 -2.360 -4.713 13.437 453 1HB PRO 66 HB1 PRO 66 -1.127 -6.923 12.354 454 2HB PRO 66 HB2 PRO 66 -1.220 -5.351 11.540 455 1HG PRO 66 HG1 PRO 66 1.101 -6.654 12.906 456 2HG PRO 66 HG2 PRO 66 1.097 -5.475 11.585 457 1HD PRO 66 HD1 PRO 66 1.614 -4.937 14.322 458 2HD PRO 66 HD2 PRO 66 1.304 -3.728 13.057 No H/Q in entry = 458 Start of MODEL 18 1 1H ARG 1 HT2 ARG 1 1.857 14.163 -2.358 2 2H ARG 1 HT3 ARG 1 3.149 15.228 -2.649 3 3H ARG 1 HT1 ARG 1 3.043 13.771 -3.510 4 HA ARG 1 HA ARG 1 3.935 12.556 -1.871 5 1HB ARG 1 HB1 ARG 1 4.814 15.360 -1.619 6 2HB ARG 1 HB2 ARG 1 5.131 14.367 -0.196 7 1HG ARG 1 HG1 ARG 1 6.510 12.889 -1.380 8 2HG ARG 1 HG2 ARG 1 5.798 13.317 -2.935 9 1HD ARG 1 HD1 ARG 1 6.811 15.612 -2.674 10 2HD ARG 1 HD2 ARG 1 7.654 15.016 -1.244 11 HE ARG 1 HE ARG 1 8.061 13.805 -3.952 12 1HH1 ARG 1 HH21 ARG 1 9.226 12.568 -1.421 13 2HH1 ARG 1 HH22 ARG 1 10.841 13.195 -1.454 14 1HH2 ARG 1 HH11 ARG 1 10.119 15.660 -3.784 15 2HH2 ARG 1 HH12 ARG 1 11.345 14.945 -2.792 16 H GLU 2 HN GLU 2 1.836 11.861 -0.925 17 HA GLU 2 HA GLU 2 1.573 12.917 1.841 18 1HB GLU 2 HB1 GLU 2 -0.887 12.061 0.350 19 2HB GLU 2 HB2 GLU 2 -0.745 13.167 1.717 20 1HG GLU 2 HG1 GLU 2 0.181 14.894 0.323 21 2HG GLU 2 HG2 GLU 2 0.371 13.779 -1.032 22 H CYS 3 HN CYS 3 2.957 10.641 0.949 23 HA CYS 3 HA CYS 3 1.547 8.583 2.519 24 1HB CYS 3 HB1 CYS 3 2.783 7.787 -0.110 25 2HB CYS 3 HB2 CYS 3 1.615 6.898 0.869 26 H TYR 4 HN TYR 4 4.401 9.163 0.506 27 HA TYR 4 HA TYR 4 6.648 8.470 0.851 28 1HB TYR 4 HB1 TYR 4 7.245 9.520 3.302 29 2HB TYR 4 HB2 TYR 4 7.098 10.480 1.835 30 HD1 TYR 4 HD2 TYR 4 5.314 9.332 4.890 31 HD2 TYR 4 HD1 TYR 4 5.222 11.977 1.504 32 HE1 TYR 4 HE2 TYR 4 3.400 10.549 5.893 33 HE2 TYR 4 HE1 TYR 4 3.307 13.195 2.507 34 HH TYR 4 HH TYR 4 1.642 11.996 5.324 35 H LEU 5 HN LEU 5 8.007 7.962 3.301 36 HA LEU 5 HA LEU 5 8.466 6.194 4.750 37 1HB LEU 5 HB1 LEU 5 5.495 6.112 4.620 38 2HB LEU 5 HB2 LEU 5 6.360 4.851 5.473 39 HG LEU 5 HG LEU 5 6.761 7.819 5.963 40 1HD1 LEU 5 HD13 LEU 5 4.451 7.145 6.537 41 2HD1 LEU 5 HD12 LEU 5 5.084 5.825 7.523 42 3HD1 LEU 5 HD11 LEU 5 5.389 7.499 7.988 43 1HD2 LEU 5 HD22 LEU 5 7.543 5.340 7.533 44 2HD2 LEU 5 HD23 LEU 5 8.642 6.369 6.614 45 3HD2 LEU 5 HD21 LEU 5 7.832 7.003 8.046 46 H ASN 6 HN ASN 6 9.639 5.201 2.946 47 HA ASN 6 HA ASN 6 8.132 2.885 1.823 48 1HB ASN 6 HB1 ASN 6 8.632 4.603 0.103 49 2HB ASN 6 HB2 ASN 6 10.350 4.426 0.458 50 1HD2 ASN 6 HD22 ASN 6 8.474 1.671 -1.873 51 2HD2 ASN 6 HD21 ASN 6 7.631 2.992 -1.221 52 HA PRO 7 HA PRO 7 11.947 1.338 3.986 53 1HB PRO 7 HB1 PRO 7 10.615 -0.074 5.942 54 2HB PRO 7 HB2 PRO 7 11.174 1.595 6.155 55 1HG PRO 7 HG1 PRO 7 8.405 0.558 5.674 56 2HG PRO 7 HG2 PRO 7 8.920 2.021 6.531 57 1HD PRO 7 HD1 PRO 7 7.901 1.912 3.890 58 2HD PRO 7 HD2 PRO 7 8.758 3.287 4.619 59 H HIS 8 HN HIS 8 8.923 0.213 2.794 60 HA HIS 8 HA HIS 8 9.989 -1.948 1.312 61 1HB HIS 8 HB1 HIS 8 10.281 -3.185 3.353 62 2HB HIS 8 HB2 HIS 8 8.712 -2.667 3.967 63 HD1 HIS 8 HD1 HIS 8 6.671 -4.007 3.281 64 HD2 HIS 8 HD2 HIS 8 10.098 -5.158 1.207 65 HE1 HIS 8 HE1 HIS 8 6.039 -6.062 1.948 66 H ASP 9 HN ASP 9 8.225 0.291 1.064 67 HA ASP 9 HA ASP 9 6.249 -0.627 -0.647 68 1HB ASP 9 HB1 ASP 9 4.206 -0.433 0.966 69 2HB ASP 9 HB2 ASP 9 5.129 -1.932 0.965 70 H THR 10 HN THR 10 4.069 0.956 -0.211 71 HA THR 10 HA THR 10 3.281 3.155 -0.192 72 HB THR 10 HB THR 10 5.764 4.342 0.893 73 HG1 THR 10 HG1 THR 10 4.238 2.903 2.709 74 1HG2 THR 10 HG23 THR 10 2.809 4.530 1.178 75 2HG2 THR 10 HG22 THR 10 3.778 4.967 2.586 76 3HG2 THR 10 HG21 THR 10 4.016 5.810 1.055 77 H GLN 11 HN GLN 11 3.966 5.417 -1.002 78 HA GLN 11 HA GLN 11 6.177 5.857 -2.661 79 1HB GLN 11 HB1 GLN 11 5.484 5.327 -4.856 80 2HB GLN 11 HB2 GLN 11 4.995 3.916 -3.921 81 1HG GLN 11 HG1 GLN 11 2.742 5.271 -3.642 82 2HG GLN 11 HG2 GLN 11 3.303 6.095 -5.097 83 1HE2 GLN 11 HE22 GLN 11 2.327 3.434 -7.174 84 2HE2 GLN 11 HE21 GLN 11 2.700 5.081 -7.015 85 H THR 12 HN THR 12 6.133 7.995 -2.237 86 HA THR 12 HA THR 12 4.157 9.665 -1.470 87 HB THR 12 HB THR 12 5.414 11.501 -2.266 88 HG1 THR 12 HG1 THR 12 6.403 9.708 -4.222 89 1HG2 THR 12 HG22 THR 12 6.613 9.480 -0.919 90 2HG2 THR 12 HG21 THR 12 7.669 9.584 -2.326 91 3HG2 THR 12 HG23 THR 12 7.422 10.999 -1.304 92 H CYS 13 HN CYS 13 2.555 10.958 -2.391 93 HA CYS 13 HA CYS 13 1.741 10.225 -5.175 94 1HB CYS 13 HB1 CYS 13 0.065 9.379 -3.706 95 2HB CYS 13 HB2 CYS 13 0.120 10.817 -2.689 96 HA PRO 14 HA PRO 14 2.706 14.671 -5.302 97 1HB PRO 14 HB1 PRO 14 3.550 14.590 -7.922 98 2HB PRO 14 HB2 PRO 14 4.597 14.249 -6.534 99 1HG PRO 14 HG1 PRO 14 3.359 12.357 -8.496 100 2HG PRO 14 HG2 PRO 14 4.859 12.186 -7.569 101 1HD PRO 14 HD1 PRO 14 2.375 10.962 -6.967 102 2HD PRO 14 HD2 PRO 14 3.767 11.083 -5.870 103 H SER 15 HN SER 15 1.651 13.342 -8.451 104 HA SER 15 HA SER 15 -0.547 15.352 -8.444 105 1HB SER 15 HB1 SER 15 -0.575 15.150 -10.828 106 2HB SER 15 HB2 SER 15 1.123 15.223 -10.366 107 HG SER 15 HG SER 15 0.269 13.452 -11.858 108 H GLY 16 HN GLY 16 -2.680 14.706 -8.492 109 1HA GLY 16 HA1 GLY 16 -4.168 12.769 -9.380 110 2HA GLY 16 HA2 GLY 16 -3.163 11.764 -8.335 111 H GLN 17 HN GLN 17 -4.467 11.216 -6.634 112 HA GLN 17 HA GLN 17 -6.346 13.210 -5.523 113 1HB GLN 17 HB1 GLN 17 -5.846 10.323 -4.734 114 2HB GLN 17 HB2 GLN 17 -7.169 11.338 -4.159 115 1HG GLN 17 HG1 GLN 17 -6.672 10.591 -7.058 116 2HG GLN 17 HG2 GLN 17 -7.886 9.850 -6.013 117 1HE2 GLN 17 HE22 GLN 17 -9.606 13.183 -5.797 118 2HE2 GLN 17 HE21 GLN 17 -8.857 12.162 -4.666 119 H GLU 18 HN GLU 18 -6.259 12.246 -2.805 120 HA GLU 18 HA GLU 18 -3.543 13.175 -1.967 121 1HB GLU 18 HB1 GLU 18 -6.162 13.836 -0.588 122 2HB GLU 18 HB2 GLU 18 -4.561 14.435 -0.152 123 1HG GLU 18 HG1 GLU 18 -4.797 15.067 -2.855 124 2HG GLU 18 HG2 GLU 18 -6.405 15.389 -2.207 125 H ILE 19 HN ILE 19 -5.624 10.628 -1.965 126 HA ILE 19 HA ILE 19 -4.938 9.711 0.787 127 HB ILE 19 HB ILE 19 -6.718 8.315 -1.201 128 1HG1 ILE 19 HG11 ILE 19 -7.113 10.922 -0.109 129 2HG1 ILE 19 HG12 ILE 19 -8.254 9.964 -1.042 130 1HG2 ILE 19 HG21 ILE 19 -6.501 8.317 1.826 131 2HG2 ILE 19 HG22 ILE 19 -7.764 7.475 0.925 132 3HG2 ILE 19 HG23 ILE 19 -6.075 6.999 0.734 133 1HD1 ILE 19 HD13 ILE 19 -9.029 8.872 1.048 134 2HD1 ILE 19 HD11 ILE 19 -7.907 9.872 1.972 135 3HD1 ILE 19 HD12 ILE 19 -9.248 10.622 1.106 136 H CYS 20 HN CYS 20 -4.196 7.495 1.006 137 HA CYS 20 HA CYS 20 -2.684 6.528 -1.385 138 1HB CYS 20 HB1 CYS 20 -1.632 6.095 1.398 139 2HB CYS 20 HB2 CYS 20 -0.755 6.090 -0.129 140 H TYR 21 HN TYR 21 -3.045 4.401 -1.864 141 HA TYR 21 HA TYR 21 -4.588 2.839 0.157 142 1HB TYR 21 HB1 TYR 21 -5.483 1.550 -1.599 143 2HB TYR 21 HB2 TYR 21 -5.415 3.163 -2.305 144 HD1 TYR 21 HD2 TYR 21 -3.497 -0.032 -2.014 145 HD2 TYR 21 HD1 TYR 21 -4.168 3.563 -4.266 146 HE1 TYR 21 HE2 TYR 21 -2.005 -0.872 -3.806 147 HE2 TYR 21 HE1 TYR 21 -2.677 2.718 -6.058 148 HH TYR 21 HH TYR 21 -0.513 0.454 -5.728 149 H VAL 22 HN VAL 22 -3.788 0.715 0.707 150 HA VAL 22 HA VAL 22 -0.917 0.392 -0.019 151 HB VAL 22 HB VAL 22 -0.490 -0.526 2.150 152 1HG1 VAL 22 HG13 VAL 22 -0.914 2.015 1.910 153 2HG1 VAL 22 HG11 VAL 22 -2.449 1.698 2.719 154 3HG1 VAL 22 HG12 VAL 22 -0.931 1.343 3.540 155 1HG2 VAL 22 HG23 VAL 22 -3.471 -0.756 2.229 156 2HG2 VAL 22 HG22 VAL 22 -2.245 -1.933 2.697 157 3HG2 VAL 22 HG21 VAL 22 -2.596 -0.562 3.748 158 H LYS 23 HN LYS 23 -0.744 -1.216 -1.495 159 HA LYS 23 HA LYS 23 -2.500 -3.612 -1.166 160 1HB LYS 23 HB1 LYS 23 -2.725 -2.512 -3.350 161 2HB LYS 23 HB2 LYS 23 -0.982 -2.618 -3.598 162 1HG LYS 23 HG1 LYS 23 -1.319 -5.171 -3.225 163 2HG LYS 23 HG2 LYS 23 -3.021 -4.835 -3.537 164 1HD LYS 23 HD1 LYS 23 -0.789 -3.985 -5.400 165 2HD LYS 23 HD2 LYS 23 -1.683 -5.496 -5.584 166 1HE LYS 23 HE1 LYS 23 -3.776 -4.276 -5.829 167 2HE LYS 23 HE2 LYS 23 -2.963 -2.747 -5.493 168 1HZ LYS 23 HZ3 LYS 23 -1.559 -3.964 -7.546 169 2HZ LYS 23 HZ1 LYS 23 -3.199 -4.125 -7.945 170 3HZ LYS 23 HZ2 LYS 23 -2.546 -2.586 -7.645 171 H SER 24 HN SER 24 -1.512 -5.549 -0.682 172 HA SER 24 HA SER 24 1.442 -5.678 -1.006 173 1HB SER 24 HB1 SER 24 -0.157 -5.936 1.500 174 2HB SER 24 HB2 SER 24 1.228 -7.006 1.304 175 HG SER 24 HG SER 24 1.608 -4.859 2.285 176 H TRP 25 HN TRP 25 1.894 -7.446 -2.210 177 HA TRP 25 HA TRP 25 0.434 -9.974 -1.613 178 1HB TRP 25 HB1 TRP 25 0.065 -10.392 -4.010 179 2HB TRP 25 HB2 TRP 25 -0.740 -8.901 -3.512 180 HD1 TRP 25 HD1 TRP 25 1.822 -10.183 -5.902 181 HE1 TRP 25 HE1 TRP 25 2.882 -8.185 -7.158 182 HE3 TRP 25 HE3 TRP 25 0.055 -6.419 -3.051 183 HZ2 TRP 25 HZ2 TRP 25 2.955 -5.302 -6.922 184 HZ3 TRP 25 HZ3 TRP 25 0.613 -4.101 -3.524 185 HH2 TRP 25 HH2 TRP 25 2.061 -3.494 -5.459 186 H CYS 26 HN CYS 26 1.909 -11.581 -1.406 187 HA CYS 26 HA CYS 26 4.617 -11.178 -2.576 188 1HB CYS 26 HB1 CYS 26 5.126 -11.722 -0.415 189 2HB CYS 26 HB2 CYS 26 3.549 -12.440 -0.126 190 H ASN 27 HN ASN 27 5.629 -13.365 -3.343 191 HA ASN 27 HA ASN 27 3.613 -14.682 -5.092 192 1HB ASN 27 HB1 ASN 27 6.115 -13.650 -5.666 193 2HB ASN 27 HB2 ASN 27 6.440 -15.376 -5.504 194 1HD2 ASN 27 HD22 ASN 27 5.402 -14.825 -9.031 195 2HD2 ASN 27 HD21 ASN 27 6.711 -14.363 -8.056 196 H ALA 28 HN ALA 28 4.880 -17.102 -5.579 197 HA ALA 28 HA ALA 28 4.335 -18.490 -3.070 198 1HB ALA 28 HB2 ALA 28 4.844 -19.307 -5.895 199 2HB ALA 28 HB1 ALA 28 5.073 -20.504 -4.621 200 3HB ALA 28 HB3 ALA 28 3.500 -19.735 -4.836 201 H TRP 29 HN TRP 29 7.009 -16.985 -4.209 202 HA TRP 29 HA TRP 29 8.756 -18.682 -2.521 203 1HB TRP 29 HB1 TRP 29 9.354 -17.847 -5.349 204 2HB TRP 29 HB2 TRP 29 10.521 -18.536 -4.254 205 HD1 TRP 29 HD1 TRP 29 6.961 -19.521 -5.522 206 HE1 TRP 29 HE1 TRP 29 6.982 -22.082 -5.881 207 HE3 TRP 29 HE3 TRP 29 11.684 -20.517 -4.056 208 HZ2 TRP 29 HZ2 TRP 29 8.817 -24.284 -5.571 209 HZ3 TRP 29 HZ3 TRP 29 12.591 -22.845 -4.081 210 HH2 TRP 29 HH2 TRP 29 11.154 -24.726 -4.840 211 H CYS 30 HN CYS 30 7.534 -15.861 -2.394 212 HA CYS 30 HA CYS 30 9.710 -14.010 -2.760 213 1HB CYS 30 HB1 CYS 30 8.403 -12.406 -1.563 214 2HB CYS 30 HB2 CYS 30 7.308 -13.333 -2.584 215 H SER 31 HN SER 31 9.735 -16.524 -0.663 216 HA SER 31 HA SER 31 10.252 -15.700 1.902 217 1HB SER 31 HB1 SER 31 10.618 -18.000 1.421 218 2HB SER 31 HB2 SER 31 11.808 -17.633 0.177 219 HG SER 31 HG SER 31 12.063 -17.349 2.972 220 H SER 32 HN SER 32 10.986 -13.565 2.012 221 HA SER 32 HA SER 32 12.477 -11.764 1.801 222 1HB SER 32 HB1 SER 32 14.779 -13.586 2.154 223 2HB SER 32 HB2 SER 32 14.356 -12.120 3.035 224 HG SER 32 HG SER 32 13.360 -13.272 4.461 225 H ARG 33 HN ARG 33 11.950 -11.834 -0.511 226 HA ARG 33 HA ARG 33 14.448 -12.281 -2.094 227 1HB ARG 33 HB1 ARG 33 11.806 -13.471 -2.496 228 2HB ARG 33 HB2 ARG 33 12.391 -12.624 -3.930 229 1HG ARG 33 HG1 ARG 33 14.596 -14.057 -2.852 230 2HG ARG 33 HG2 ARG 33 13.227 -15.169 -2.887 231 1HD ARG 33 HD1 ARG 33 13.119 -13.734 -5.315 232 2HD ARG 33 HD2 ARG 33 14.813 -14.166 -5.089 233 HE ARG 33 HE ARG 33 13.203 -16.457 -4.531 234 1HH1 ARG 33 HH11 ARG 33 15.503 -15.549 -6.620 235 2HH1 ARG 33 HH12 ARG 33 14.821 -16.259 -8.046 236 1HH2 ARG 33 HH21 ARG 33 11.741 -16.883 -6.581 237 2HH2 ARG 33 HH22 ARG 33 12.690 -17.016 -8.022 238 H GLY 34 HN GLY 34 11.388 -11.162 -3.407 239 1HA GLY 34 HA1 GLY 34 12.215 -8.336 -3.238 240 2HA GLY 34 HA2 GLY 34 12.156 -9.026 -4.863 241 H LYS 35 HN LYS 35 10.055 -9.479 -2.015 242 HA LYS 35 HA LYS 35 7.629 -9.766 -3.311 243 1HB LYS 35 HB1 LYS 35 8.073 -8.152 -0.780 244 2HB LYS 35 HB2 LYS 35 6.550 -8.882 -1.290 245 1HG LYS 35 HG1 LYS 35 7.249 -11.020 -0.774 246 2HG LYS 35 HG2 LYS 35 8.943 -10.661 -1.108 247 1HD LYS 35 HD1 LYS 35 9.239 -10.466 1.120 248 2HD LYS 35 HD2 LYS 35 8.263 -8.998 1.048 249 1HE LYS 35 HE1 LYS 35 6.256 -10.206 1.547 250 2HE LYS 35 HE2 LYS 35 7.048 -11.761 1.285 251 1HZ LYS 35 HZ3 LYS 35 8.564 -10.490 3.186 252 2HZ LYS 35 HZ1 LYS 35 6.962 -10.157 3.634 253 3HZ LYS 35 HZ2 LYS 35 7.474 -11.766 3.446 254 H VAL 36 HN VAL 36 5.975 -8.317 -4.006 255 HA VAL 36 HA VAL 36 6.997 -5.602 -4.723 256 HB VAL 36 HB VAL 36 4.479 -6.418 -5.971 257 1HG1 VAL 36 HG11 VAL 36 6.708 -4.796 -6.504 258 2HG1 VAL 36 HG13 VAL 36 6.755 -6.062 -7.729 259 3HG1 VAL 36 HG12 VAL 36 5.317 -5.058 -7.555 260 1HG2 VAL 36 HG21 VAL 36 6.957 -8.096 -6.480 261 2HG2 VAL 36 HG23 VAL 36 5.442 -8.671 -5.784 262 3HG2 VAL 36 HG22 VAL 36 5.492 -8.129 -7.462 263 H LEU 37 HN LEU 37 6.401 -5.298 -2.290 264 HA LEU 37 HA LEU 37 3.493 -4.824 -1.973 265 1HB LEU 37 HB1 LEU 37 5.770 -5.451 -0.145 266 2HB LEU 37 HB2 LEU 37 4.416 -4.529 0.498 267 HG LEU 37 HG LEU 37 2.875 -6.255 -0.042 268 1HD1 LEU 37 HD11 LEU 37 5.136 -7.511 -1.613 269 2HD1 LEU 37 HD13 LEU 37 3.588 -8.299 -1.312 270 3HD1 LEU 37 HD12 LEU 37 3.653 -6.823 -2.274 271 1HD2 LEU 37 HD22 LEU 37 4.224 -6.732 1.945 272 2HD2 LEU 37 HD21 LEU 37 3.766 -8.221 1.119 273 3HD2 LEU 37 HD23 LEU 37 5.400 -7.580 0.939 274 H GLU 38 HN GLU 38 3.071 -2.762 -2.689 275 HA GLU 38 HA GLU 38 4.516 -0.550 -1.313 276 1HB GLU 38 HB1 GLU 38 3.989 0.610 -3.718 277 2HB GLU 38 HB2 GLU 38 5.552 -0.076 -3.277 278 1HG GLU 38 HG1 GLU 38 5.059 -2.140 -4.399 279 2HG GLU 38 HG2 GLU 38 3.358 -1.707 -4.586 280 H PHE 39 HN PHE 39 3.244 1.533 -1.650 281 HA PHE 39 HA PHE 39 0.335 1.008 -1.821 282 1HB PHE 39 HB1 PHE 39 1.493 2.993 0.134 283 2HB PHE 39 HB2 PHE 39 -0.090 2.225 0.164 284 HD1 PHE 39 HD1 PHE 39 0.576 -0.610 -0.300 285 HD2 PHE 39 HD2 PHE 39 2.556 2.317 2.143 286 HE1 PHE 39 HE1 PHE 39 1.481 -2.420 1.124 287 HE2 PHE 39 HE2 PHE 39 3.461 0.501 3.576 288 HZ PHE 39 HZ PHE 39 2.926 -1.875 3.061 289 H GLY 40 HN GLY 40 -0.726 2.538 -3.117 290 1HA GLY 40 HA1 GLY 40 1.030 4.711 -4.174 291 2HA GLY 40 HA2 GLY 40 -0.290 3.973 -5.074 292 H CYS 41 HN CYS 41 -1.284 5.971 -5.480 293 HA CYS 41 HA CYS 41 -2.218 7.575 -3.171 294 1HB CYS 41 HB1 CYS 41 -1.121 8.470 -5.374 295 2HB CYS 41 HB2 CYS 41 -2.711 8.223 -6.063 296 H ALA 42 HN ALA 42 -4.534 8.496 -3.832 297 HA ALA 42 HA ALA 42 -6.442 7.033 -5.242 298 1HB ALA 42 HB2 ALA 42 -5.496 5.614 -2.889 299 2HB ALA 42 HB1 ALA 42 -7.230 5.922 -2.798 300 3HB ALA 42 HB3 ALA 42 -6.560 5.051 -4.178 301 H ALA 43 HN ALA 43 -8.689 7.142 -3.998 302 HA ALA 43 HA ALA 43 -8.840 9.861 -2.808 303 1HB ALA 43 HB3 ALA 43 -10.001 9.440 -5.019 304 2HB ALA 43 HB2 ALA 43 -11.065 8.323 -4.164 305 3HB ALA 43 HB1 ALA 43 -11.054 10.034 -3.734 306 H THR 44 HN THR 44 -10.202 6.566 -2.596 307 HA THR 44 HA THR 44 -10.596 7.019 0.305 308 HB THR 44 HB THR 44 -12.758 7.574 -0.849 309 HG1 THR 44 HG1 THR 44 -12.583 6.551 1.274 310 1HG2 THR 44 HG22 THR 44 -12.197 5.667 -2.606 311 2HG2 THR 44 HG21 THR 44 -13.095 4.666 -1.463 312 3HG2 THR 44 HG23 THR 44 -13.869 6.065 -2.208 313 H CYS 45 HN CYS 45 -10.611 5.050 1.502 314 HA CYS 45 HA CYS 45 -8.920 3.065 0.888 315 1HB CYS 45 HB1 CYS 45 -10.255 3.481 3.023 316 2HB CYS 45 HB2 CYS 45 -11.513 2.492 2.293 317 HA PRO 46 HA PRO 46 -11.045 0.927 -2.422 318 1HB PRO 46 HB1 PRO 46 -9.002 -0.853 -2.941 319 2HB PRO 46 HB2 PRO 46 -9.038 0.816 -3.532 320 1HG PRO 46 HG1 PRO 46 -7.332 -0.385 -1.439 321 2HG PRO 46 HG2 PRO 46 -7.126 1.137 -2.308 322 1HD PRO 46 HD1 PRO 46 -8.157 0.722 0.366 323 2HD PRO 46 HD2 PRO 46 -7.905 2.262 -0.484 324 H SER 47 HN SER 47 -12.085 -1.125 -2.699 325 HA SER 47 HA SER 47 -12.033 -2.846 -0.260 326 1HB SER 47 HB1 SER 47 -14.271 -3.586 -0.946 327 2HB SER 47 HB2 SER 47 -14.220 -1.828 -0.838 328 HG SER 47 HG SER 47 -15.076 -3.043 -2.853 329 H VAL 48 HN VAL 48 -10.018 -3.117 -2.305 330 HA VAL 48 HA VAL 48 -10.822 -5.623 -3.685 331 HB VAL 48 HB VAL 48 -8.588 -3.685 -4.105 332 1HG1 VAL 48 HG12 VAL 48 -7.663 -5.969 -4.280 333 2HG1 VAL 48 HG11 VAL 48 -8.946 -6.392 -5.413 334 3HG1 VAL 48 HG13 VAL 48 -7.734 -5.190 -5.861 335 1HG2 VAL 48 HG22 VAL 48 -11.105 -4.448 -5.456 336 2HG2 VAL 48 HG21 VAL 48 -10.274 -2.892 -5.426 337 3HG2 VAL 48 HG23 VAL 48 -9.727 -4.165 -6.519 338 H ASN 49 HN ASN 49 -10.493 -7.314 -2.258 339 HA ASN 49 HA ASN 49 -7.807 -7.520 -1.059 340 1HB ASN 49 HB1 ASN 49 -9.689 -6.896 0.566 341 2HB ASN 49 HB2 ASN 49 -10.305 -8.523 0.290 342 1HD2 ASN 49 HD22 ASN 49 -8.160 -9.123 3.148 343 2HD2 ASN 49 HD21 ASN 49 -9.741 -8.649 2.752 344 H THR 50 HN THR 50 -8.416 -8.690 -3.504 345 HA THR 50 HA THR 50 -9.394 -11.406 -3.176 346 HB THR 50 HB THR 50 -7.559 -10.775 -5.431 347 HG1 THR 50 HG1 THR 50 -9.875 -9.319 -4.795 348 1HG2 THR 50 HG23 THR 50 -9.147 -12.798 -5.081 349 2HG2 THR 50 HG22 THR 50 -10.431 -11.674 -5.525 350 3HG2 THR 50 HG21 THR 50 -9.131 -12.021 -6.665 351 H GLY 51 HN GLY 51 -6.922 -12.373 -4.822 352 1HA GLY 51 HA1 GLY 51 -5.509 -13.611 -2.696 353 2HA GLY 51 HA2 GLY 51 -4.860 -13.393 -4.327 354 H THR 52 HN THR 52 -5.483 -10.388 -3.838 355 HA THR 52 HA THR 52 -2.860 -9.750 -2.625 356 HB THR 52 HB THR 52 -4.887 -8.013 -4.074 357 HG1 THR 52 HG1 THR 52 -3.869 -8.561 -5.844 358 1HG2 THR 52 HG21 THR 52 -2.184 -7.530 -2.871 359 2HG2 THR 52 HG23 THR 52 -2.621 -6.666 -4.344 360 3HG2 THR 52 HG22 THR 52 -3.604 -6.484 -2.891 361 H GLU 53 HN GLU 53 -2.843 -7.805 -1.111 362 HA GLU 53 HA GLU 53 -5.333 -7.750 0.535 363 1HB GLU 53 HB1 GLU 53 -2.729 -7.144 1.839 364 2HB GLU 53 HB2 GLU 53 -4.135 -7.992 2.481 365 1HG GLU 53 HG1 GLU 53 -3.365 -9.736 0.544 366 2HG GLU 53 HG2 GLU 53 -1.801 -9.050 0.985 367 H ILE 54 HN ILE 54 -6.226 -5.771 -0.046 368 HA ILE 54 HA ILE 54 -4.380 -3.436 -0.117 369 HB ILE 54 HB ILE 54 -6.185 -4.100 -1.992 370 1HG1 ILE 54 HG11 ILE 54 -5.633 -1.261 -1.103 371 2HG1 ILE 54 HG12 ILE 54 -4.527 -2.255 -2.049 372 1HG2 ILE 54 HG21 ILE 54 -7.906 -3.452 0.073 373 2HG2 ILE 54 HG22 ILE 54 -7.821 -1.959 -0.865 374 3HG2 ILE 54 HG23 ILE 54 -8.314 -3.464 -1.639 375 1HD1 ILE 54 HD11 ILE 54 -7.342 -1.909 -3.020 376 2HD1 ILE 54 HD12 ILE 54 -6.195 -0.590 -3.256 377 3HD1 ILE 54 HD13 ILE 54 -5.867 -2.179 -3.947 378 H LYS 55 HN LYS 55 -5.170 -1.416 0.927 379 HA LYS 55 HA LYS 55 -7.291 -1.641 2.913 380 1HB LYS 55 HB1 LYS 55 -4.404 -1.871 3.691 381 2HB LYS 55 HB2 LYS 55 -5.520 -1.034 4.769 382 1HG LYS 55 HG1 LYS 55 -6.979 -3.251 4.172 383 2HG LYS 55 HG2 LYS 55 -5.347 -3.912 4.079 384 1HD LYS 55 HD1 LYS 55 -4.997 -3.683 6.322 385 2HD LYS 55 HD2 LYS 55 -5.858 -2.146 6.398 386 1HE LYS 55 HE1 LYS 55 -7.977 -3.643 5.951 387 2HE LYS 55 HE2 LYS 55 -6.948 -4.943 6.553 388 1HZ LYS 55 HZ3 LYS 55 -6.476 -3.405 8.489 389 2HZ LYS 55 HZ1 LYS 55 -7.794 -2.481 7.954 390 3HZ LYS 55 HZ2 LYS 55 -8.027 -4.095 8.426 391 H CYS 56 HN CYS 56 -6.692 0.432 4.565 392 HA CYS 56 HA CYS 56 -6.505 2.711 2.650 393 1HB CYS 56 HB1 CYS 56 -7.361 3.331 5.394 394 2HB CYS 56 HB2 CYS 56 -8.124 3.747 3.863 395 H CYS 57 HN CYS 57 -5.043 4.416 3.054 396 HA CYS 57 HA CYS 57 -3.482 4.535 5.504 397 1HB CYS 57 HB1 CYS 57 -2.361 2.625 4.486 398 2HB CYS 57 HB2 CYS 57 -2.179 3.512 2.972 399 H SER 58 HN SER 58 -2.562 6.551 5.693 400 HA SER 58 HA SER 58 -2.245 8.145 3.219 401 1HB SER 58 HB1 SER 58 -4.469 8.615 4.427 402 2HB SER 58 HB2 SER 58 -3.483 9.352 5.686 403 HG SER 58 HG SER 58 -4.012 10.225 3.123 404 H ALA 59 HN ALA 59 -0.849 6.960 5.930 405 HA ALA 59 HA ALA 59 1.427 8.756 5.661 406 1HB ALA 59 HB3 ALA 59 -0.336 8.922 8.114 407 2HB ALA 59 HB2 ALA 59 1.342 9.464 8.108 408 3HB ALA 59 HB1 ALA 59 0.162 10.238 7.051 409 H ASP 60 HN ASP 60 1.219 7.705 8.851 410 HA ASP 60 HA ASP 60 2.877 5.333 8.211 411 1HB ASP 60 HB1 ASP 60 3.734 7.027 9.869 412 2HB ASP 60 HB2 ASP 60 2.356 6.642 10.903 413 H LYS 61 HN LYS 61 0.050 5.408 7.760 414 HA LYS 61 HA LYS 61 -0.978 3.595 9.864 415 1HB LYS 61 HB1 LYS 61 -2.482 5.421 9.577 416 2HB LYS 61 HB2 LYS 61 -2.356 5.334 7.819 417 1HG LYS 61 HG1 LYS 61 -3.687 3.407 7.695 418 2HG LYS 61 HG2 LYS 61 -3.381 2.971 9.377 419 1HD LYS 61 HD1 LYS 61 -5.177 4.146 10.069 420 2HD LYS 61 HD2 LYS 61 -4.632 5.583 9.202 421 1HE LYS 61 HE1 LYS 61 -5.847 3.295 7.677 422 2HE LYS 61 HE2 LYS 61 -6.897 4.438 8.516 423 1HZ LYS 61 HZ1 LYS 61 -5.171 6.076 7.282 424 2HZ LYS 61 HZ2 LYS 61 -5.274 4.809 6.154 425 3HZ LYS 61 HZ3 LYS 61 -6.679 5.627 6.649 426 H CYS 62 HN CYS 62 0.484 3.529 6.901 427 HA CYS 62 HA CYS 62 -1.011 1.707 5.356 428 1HB CYS 62 HB1 CYS 62 1.954 2.177 5.655 429 2HB CYS 62 HB2 CYS 62 1.331 0.949 4.555 430 H ASN 63 HN ASN 63 1.255 1.088 8.023 431 HA ASN 63 HA ASN 63 0.540 -1.792 7.888 432 1HB ASN 63 HB1 ASN 63 2.456 -2.043 9.519 433 2HB ASN 63 HB2 ASN 63 2.926 -1.428 7.934 434 1HD2 ASN 63 HD22 ASN 63 3.424 0.891 11.230 435 2HD2 ASN 63 HD21 ASN 63 2.766 -0.671 11.341 436 H THR 64 HN THR 64 -1.581 -1.453 8.851 437 HA THR 64 HA THR 64 -1.485 -0.667 11.736 438 HB THR 64 HB THR 64 -4.163 -0.887 10.762 439 HG1 THR 64 HG1 THR 64 -4.068 0.601 9.105 440 1HG2 THR 64 HG22 THR 64 -2.341 0.969 12.105 441 2HG2 THR 64 HG21 THR 64 -3.563 1.781 11.128 442 3HG2 THR 64 HG23 THR 64 -4.052 0.663 12.401 443 H TYR 65 HN TYR 65 -1.671 -2.346 13.144 444 HA TYR 65 HA TYR 65 -1.910 -4.998 12.492 445 1HB TYR 65 HB1 TYR 65 -1.392 -3.916 14.784 446 2HB TYR 65 HB2 TYR 65 -3.133 -3.991 15.044 447 HD1 TYR 65 HD1 TYR 65 -0.096 -6.011 14.380 448 HD2 TYR 65 HD2 TYR 65 -4.259 -6.072 15.445 449 HE1 TYR 65 HE1 TYR 65 0.092 -8.412 14.976 450 HE2 TYR 65 HE2 TYR 65 -4.071 -8.473 16.041 451 HH TYR 65 HH TYR 65 -2.526 -10.418 15.369 452 HA PRO 66 HA PRO 66 -6.651 -4.786 13.002 453 1HB PRO 66 HB1 PRO 66 -7.795 -2.286 13.123 454 2HB PRO 66 HB2 PRO 66 -7.288 -3.206 14.551 455 1HG PRO 66 HG1 PRO 66 -6.004 -0.836 13.263 456 2HG PRO 66 HG2 PRO 66 -5.916 -1.381 14.946 457 1HD PRO 66 HD1 PRO 66 -3.943 -1.751 12.929 458 2HD PRO 66 HD2 PRO 66 -3.967 -2.514 14.529 No H/Q in entry = 458 Start of MODEL 19 1 1H ARG 1 HT1 ARG 1 2.906 16.335 -0.539 2 2H ARG 1 HT2 ARG 1 3.049 16.486 -2.225 3 3H ARG 1 HT3 ARG 1 1.736 15.643 -1.553 4 HA ARG 1 HA ARG 1 3.189 14.005 -2.329 5 1HB ARG 1 HB1 ARG 1 5.101 15.924 -2.129 6 2HB ARG 1 HB2 ARG 1 5.511 14.917 -0.738 7 1HG ARG 1 HG1 ARG 1 6.133 13.156 -2.044 8 2HG ARG 1 HG2 ARG 1 4.854 13.449 -3.223 9 1HD ARG 1 HD1 ARG 1 6.202 14.740 -4.525 10 2HD ARG 1 HD2 ARG 1 6.915 15.556 -3.134 11 HE ARG 1 HE ARG 1 7.946 12.929 -3.143 12 1HH1 ARG 1 HH11 ARG 1 9.551 15.512 -3.295 13 2HH1 ARG 1 HH12 ARG 1 10.377 15.307 -4.804 14 1HH2 ARG 1 HH21 ARG 1 8.306 12.747 -5.894 15 2HH2 ARG 1 HH22 ARG 1 9.672 13.742 -6.275 16 H GLU 2 HN GLU 2 2.555 12.289 -1.162 17 HA GLU 2 HA GLU 2 3.305 12.094 1.698 18 1HB GLU 2 HB1 GLU 2 0.962 11.122 2.115 19 2HB GLU 2 HB2 GLU 2 1.056 12.872 1.920 20 1HG GLU 2 HG1 GLU 2 0.485 12.578 -0.500 21 2HG GLU 2 HG2 GLU 2 0.268 10.852 -0.203 22 H CYS 3 HN CYS 3 3.295 9.782 2.400 23 HA CYS 3 HA CYS 3 3.511 7.454 2.001 24 1HB CYS 3 HB1 CYS 3 2.728 7.922 -0.826 25 2HB CYS 3 HB2 CYS 3 2.443 6.488 0.156 26 H TYR 4 HN TYR 4 5.816 8.116 2.068 27 HA TYR 4 HA TYR 4 7.133 7.489 -0.497 28 1HB TYR 4 HB1 TYR 4 8.857 9.322 0.604 29 2HB TYR 4 HB2 TYR 4 7.703 9.644 -0.678 30 HD1 TYR 4 HD1 TYR 4 7.301 9.138 3.025 31 HD2 TYR 4 HD2 TYR 4 6.681 11.717 -0.354 32 HE1 TYR 4 HE1 TYR 4 6.123 10.764 4.483 33 HE2 TYR 4 HE2 TYR 4 5.506 13.340 1.101 34 HH TYR 4 HH TYR 4 4.809 13.805 3.152 35 H LEU 5 HN LEU 5 6.670 6.430 2.480 36 HA LEU 5 HA LEU 5 9.375 5.410 2.700 37 1HB LEU 5 HB1 LEU 5 7.786 6.834 4.721 38 2HB LEU 5 HB2 LEU 5 8.933 5.618 5.219 39 HG LEU 5 HG LEU 5 9.667 7.822 3.301 40 1HD1 LEU 5 HD11 LEU 5 8.768 8.455 5.755 41 2HD1 LEU 5 HD13 LEU 5 10.434 8.055 6.174 42 3HD1 LEU 5 HD12 LEU 5 10.101 9.322 4.992 43 1HD2 LEU 5 HD23 LEU 5 11.005 5.556 4.060 44 2HD2 LEU 5 HD21 LEU 5 11.796 7.028 3.500 45 3HD2 LEU 5 HD22 LEU 5 11.623 6.724 5.228 46 H ASN 6 HN ASN 6 7.192 4.844 5.292 47 HA ASN 6 HA ASN 6 6.326 2.847 6.121 48 1HB ASN 6 HB1 ASN 6 4.527 2.147 4.904 49 2HB ASN 6 HB2 ASN 6 4.919 3.542 3.907 50 1HD2 ASN 6 HD22 ASN 6 5.362 1.506 1.085 51 2HD2 ASN 6 HD21 ASN 6 4.849 2.985 1.738 52 HA PRO 7 HA PRO 7 9.064 -0.508 5.413 53 1HB PRO 7 HB1 PRO 7 7.441 -2.697 5.791 54 2HB PRO 7 HB2 PRO 7 7.988 -1.642 7.105 55 1HG PRO 7 HG1 PRO 7 5.298 -1.838 5.818 56 2HG PRO 7 HG2 PRO 7 5.721 -1.296 7.450 57 1HD PRO 7 HD1 PRO 7 5.091 0.358 5.214 58 2HD PRO 7 HD2 PRO 7 5.756 0.897 6.771 59 H HIS 8 HN HIS 8 8.188 0.464 2.891 60 HA HIS 8 HA HIS 8 8.477 -1.942 1.250 61 1HB HIS 8 HB1 HIS 8 5.951 -0.274 1.125 62 2HB HIS 8 HB2 HIS 8 6.409 -1.492 -0.055 63 HD1 HIS 8 HD1 HIS 8 6.383 -4.014 0.757 64 HD2 HIS 8 HD2 HIS 8 4.931 -1.281 3.552 65 HE1 HIS 8 HE1 HIS 8 5.152 -5.367 2.516 66 H ASP 9 HN ASP 9 7.783 -0.933 -1.197 67 HA ASP 9 HA ASP 9 9.908 0.946 -1.743 68 1HB ASP 9 HB1 ASP 9 9.234 -0.626 -3.469 69 2HB ASP 9 HB2 ASP 9 7.580 -0.012 -3.439 70 H THR 10 HN THR 10 6.458 1.217 -1.144 71 HA THR 10 HA THR 10 5.151 3.098 -0.674 72 HB THR 10 HB THR 10 7.285 5.097 -0.801 73 HG1 THR 10 HG1 THR 10 8.710 4.173 0.479 74 1HG2 THR 10 HG21 THR 10 4.982 4.513 0.723 75 2HG2 THR 10 HG23 THR 10 6.334 4.457 1.843 76 3HG2 THR 10 HG22 THR 10 6.047 5.899 0.884 77 H GLN 11 HN GLN 11 4.945 5.547 -1.597 78 HA GLN 11 HA GLN 11 5.873 6.076 -4.232 79 1HB GLN 11 HB1 GLN 11 4.507 4.292 -5.036 80 2HB GLN 11 HB2 GLN 11 3.173 4.745 -3.976 81 1HG GLN 11 HG1 GLN 11 2.433 6.365 -5.398 82 2HG GLN 11 HG2 GLN 11 4.069 6.873 -5.821 83 1HE2 GLN 11 HE22 GLN 11 2.365 3.769 -7.932 84 2HE2 GLN 11 HE21 GLN 11 1.844 4.072 -6.344 85 H THR 12 HN THR 12 6.020 8.233 -3.719 86 HA THR 12 HA THR 12 4.299 9.681 -2.061 87 HB THR 12 HB THR 12 5.457 11.596 -2.764 88 HG1 THR 12 HG1 THR 12 6.147 10.247 -5.151 89 1HG2 THR 12 HG22 THR 12 6.836 9.218 -2.283 90 2HG2 THR 12 HG21 THR 12 7.652 9.925 -3.677 91 3HG2 THR 12 HG23 THR 12 7.500 10.850 -2.183 92 H CYS 13 HN CYS 13 2.610 11.112 -2.490 93 HA CYS 13 HA CYS 13 1.378 10.975 -5.203 94 1HB CYS 13 HB1 CYS 13 0.041 9.521 -3.806 95 2HB CYS 13 HB2 CYS 13 0.014 10.710 -2.505 96 HA PRO 14 HA PRO 14 1.946 15.315 -3.738 97 1HB PRO 14 HB1 PRO 14 3.113 16.175 -6.083 98 2HB PRO 14 HB2 PRO 14 4.021 15.520 -4.709 99 1HG PRO 14 HG1 PRO 14 3.336 14.235 -7.326 100 2HG PRO 14 HG2 PRO 14 4.725 13.945 -6.266 101 1HD PRO 14 HD1 PRO 14 2.419 12.316 -6.467 102 2HD PRO 14 HD2 PRO 14 3.626 12.248 -5.163 103 H SER 15 HN SER 15 1.216 14.455 -7.151 104 HA SER 15 HA SER 15 -1.106 16.334 -6.994 105 1HB SER 15 HB1 SER 15 0.656 16.904 -8.681 106 2HB SER 15 HB2 SER 15 0.347 15.360 -9.471 107 HG SER 15 HG SER 15 -1.736 17.178 -8.947 108 H GLY 16 HN GLY 16 -2.921 15.609 -8.578 109 1HA GLY 16 HA1 GLY 16 -4.144 13.779 -9.601 110 2HA GLY 16 HA2 GLY 16 -3.131 12.645 -8.708 111 H GLN 17 HN GLN 17 -4.002 11.798 -6.874 112 HA GLN 17 HA GLN 17 -6.540 12.989 -5.877 113 1HB GLN 17 HB1 GLN 17 -5.272 10.259 -5.630 114 2HB GLN 17 HB2 GLN 17 -6.621 10.744 -4.601 115 1HG GLN 17 HG1 GLN 17 -7.709 9.732 -6.418 116 2HG GLN 17 HG2 GLN 17 -7.754 11.441 -6.853 117 1HE2 GLN 17 HE22 GLN 17 -6.472 9.667 -9.845 118 2HE2 GLN 17 HE21 GLN 17 -7.938 9.753 -8.994 119 H GLU 18 HN GLU 18 -6.533 12.019 -3.268 120 HA GLU 18 HA GLU 18 -4.092 13.215 -2.039 121 1HB GLU 18 HB1 GLU 18 -5.622 14.309 -0.349 122 2HB GLU 18 HB2 GLU 18 -5.738 14.982 -1.976 123 1HG GLU 18 HG1 GLU 18 -7.826 14.032 -2.361 124 2HG GLU 18 HG2 GLU 18 -7.555 12.720 -1.215 125 H ILE 19 HN ILE 19 -5.874 10.516 -2.339 126 HA ILE 19 HA ILE 19 -5.736 9.751 0.538 127 HB ILE 19 HB ILE 19 -6.859 8.089 -1.702 128 1HG1 ILE 19 HG11 ILE 19 -7.767 10.665 -1.096 129 2HG1 ILE 19 HG12 ILE 19 -8.674 9.424 -1.944 130 1HG2 ILE 19 HG21 ILE 19 -7.258 8.228 1.293 131 2HG2 ILE 19 HG22 ILE 19 -8.324 7.304 0.232 132 3HG2 ILE 19 HG23 ILE 19 -6.612 6.888 0.346 133 1HD1 ILE 19 HD12 ILE 19 -8.676 9.832 1.062 134 2HD1 ILE 19 HD13 ILE 19 -9.950 10.365 -0.036 135 3HD1 ILE 19 HD11 ILE 19 -9.632 8.643 0.178 136 H CYS 20 HN CYS 20 -4.757 7.716 1.062 137 HA CYS 20 HA CYS 20 -2.707 6.820 -0.924 138 1HB CYS 20 HB1 CYS 20 -1.962 8.216 1.201 139 2HB CYS 20 HB2 CYS 20 -2.166 6.670 2.024 140 H TYR 21 HN TYR 21 -3.066 4.690 -1.435 141 HA TYR 21 HA TYR 21 -4.521 3.070 0.606 142 1HB TYR 21 HB1 TYR 21 -5.382 1.721 -1.116 143 2HB TYR 21 HB2 TYR 21 -5.407 3.331 -1.827 144 HD1 TYR 21 HD2 TYR 21 -3.220 0.289 -1.553 145 HD2 TYR 21 HD1 TYR 21 -4.368 3.712 -3.873 146 HE1 TYR 21 HE2 TYR 21 -1.783 -0.495 -3.417 147 HE2 TYR 21 HE1 TYR 21 -2.931 2.934 -5.741 148 HH TYR 21 HH TYR 21 -0.880 0.053 -5.396 149 H VAL 22 HN VAL 22 -3.757 0.829 0.914 150 HA VAL 22 HA VAL 22 -0.860 0.564 0.239 151 HB VAL 22 HB VAL 22 -0.373 -0.216 2.455 152 1HG1 VAL 22 HG13 VAL 22 -2.247 2.172 2.590 153 2HG1 VAL 22 HG12 VAL 22 -1.086 1.728 3.839 154 3HG1 VAL 22 HG11 VAL 22 -0.519 2.229 2.247 155 1HG2 VAL 22 HG21 VAL 22 -3.334 -0.486 2.585 156 2HG2 VAL 22 HG23 VAL 22 -2.079 -1.546 3.227 157 3HG2 VAL 22 HG22 VAL 22 -2.501 -0.061 4.081 158 H LYS 23 HN LYS 23 -0.837 -1.090 -1.205 159 HA LYS 23 HA LYS 23 -2.650 -3.409 -0.718 160 1HB LYS 23 HB1 LYS 23 -2.650 -2.247 -2.975 161 2HB LYS 23 HB2 LYS 23 -0.999 -2.827 -3.191 162 1HG LYS 23 HG1 LYS 23 -1.680 -5.094 -3.202 163 2HG LYS 23 HG2 LYS 23 -3.245 -4.715 -2.480 164 1HD LYS 23 HD1 LYS 23 -3.982 -4.848 -4.637 165 2HD LYS 23 HD2 LYS 23 -3.353 -3.204 -4.747 166 1HE LYS 23 HE1 LYS 23 -1.080 -4.479 -5.270 167 2HE LYS 23 HE2 LYS 23 -2.181 -5.762 -5.772 168 1HZ LYS 23 HZ1 LYS 23 -2.929 -3.152 -6.722 169 2HZ LYS 23 HZ2 LYS 23 -1.421 -3.675 -7.306 170 3HZ LYS 23 HZ3 LYS 23 -2.810 -4.619 -7.564 171 H SER 24 HN SER 24 -1.772 -5.376 -0.139 172 HA SER 24 HA SER 24 1.189 -5.619 -0.367 173 1HB SER 24 HB1 SER 24 -0.508 -5.720 2.050 174 2HB SER 24 HB2 SER 24 0.681 -7.013 1.919 175 HG SER 24 HG SER 24 2.117 -5.620 2.474 176 H TRP 25 HN TRP 25 1.544 -7.304 -1.712 177 HA TRP 25 HA TRP 25 0.116 -9.862 -1.163 178 1HB TRP 25 HB1 TRP 25 -0.396 -10.183 -3.524 179 2HB TRP 25 HB2 TRP 25 -1.090 -8.647 -2.994 180 HD1 TRP 25 HD1 TRP 25 1.322 -10.079 -5.456 181 HE1 TRP 25 HE1 TRP 25 2.441 -8.149 -6.766 182 HE3 TRP 25 HE3 TRP 25 -0.157 -6.201 -2.588 183 HZ2 TRP 25 HZ2 TRP 25 2.672 -5.273 -6.563 184 HZ3 TRP 25 HZ3 TRP 25 0.509 -3.922 -3.101 185 HH2 TRP 25 HH2 TRP 25 1.923 -3.408 -5.090 186 H CYS 26 HN CYS 26 1.456 -11.637 -1.443 187 HA CYS 26 HA CYS 26 4.006 -11.263 -2.925 188 1HB CYS 26 HB1 CYS 26 5.379 -11.942 -1.154 189 2HB CYS 26 HB2 CYS 26 4.209 -10.908 -0.343 190 H ASN 27 HN ASN 27 5.060 -13.777 -2.214 191 HA ASN 27 HA ASN 27 3.084 -15.568 -3.561 192 1HB ASN 27 HB1 ASN 27 5.245 -16.936 -4.022 193 2HB ASN 27 HB2 ASN 27 4.993 -15.454 -4.946 194 1HD2 ASN 27 HD22 ASN 27 7.749 -13.767 -3.485 195 2HD2 ASN 27 HD21 ASN 27 6.392 -13.638 -4.497 196 H ALA 28 HN ALA 28 3.899 -18.035 -2.940 197 HA ALA 28 HA ALA 28 3.296 -18.227 -0.101 198 1HB ALA 28 HB1 ALA 28 2.616 -19.840 -2.059 199 2HB ALA 28 HB3 ALA 28 4.189 -20.569 -1.740 200 3HB ALA 28 HB2 ALA 28 2.972 -20.508 -0.466 201 H TRP 29 HN TRP 29 6.065 -17.489 -1.593 202 HA TRP 29 HA TRP 29 7.706 -18.721 0.561 203 1HB TRP 29 HB1 TRP 29 8.511 -18.488 -2.329 204 2HB TRP 29 HB2 TRP 29 9.453 -19.181 -1.034 205 HD1 TRP 29 HD1 TRP 29 5.831 -19.763 -2.370 206 HE1 TRP 29 HE1 TRP 29 5.470 -22.324 -2.458 207 HE3 TRP 29 HE3 TRP 29 10.317 -21.278 -0.640 208 HZ2 TRP 29 HZ2 TRP 29 6.947 -24.726 -1.850 209 HZ3 TRP 29 HZ3 TRP 29 10.865 -23.704 -0.384 210 HH2 TRP 29 HH2 TRP 29 9.175 -25.424 -0.989 211 H CYS 30 HN CYS 30 6.516 -15.951 -0.116 212 HA CYS 30 HA CYS 30 8.725 -14.234 -0.794 213 1HB CYS 30 HB1 CYS 30 7.264 -12.417 0.132 214 2HB CYS 30 HB2 CYS 30 6.501 -13.407 -1.110 215 H SER 31 HN SER 31 8.739 -16.125 1.824 216 HA SER 31 HA SER 31 8.959 -14.685 4.155 217 1HB SER 31 HB1 SER 31 9.488 -17.048 4.140 218 2HB SER 31 HB2 SER 31 10.888 -16.775 3.107 219 HG SER 31 HG SER 31 11.926 -16.588 4.909 220 H SER 32 HN SER 32 9.556 -12.528 3.793 221 HA SER 32 HA SER 32 10.958 -10.723 3.225 222 1HB SER 32 HB1 SER 32 13.239 -12.222 4.393 223 2HB SER 32 HB2 SER 32 12.697 -10.577 4.706 224 HG SER 32 HG SER 32 11.589 -11.289 6.317 225 H ARG 33 HN ARG 33 10.801 -11.410 0.975 226 HA ARG 33 HA ARG 33 13.527 -11.935 -0.099 227 1HB ARG 33 HB1 ARG 33 12.273 -14.081 -0.127 228 2HB ARG 33 HB2 ARG 33 11.026 -13.320 -1.113 229 1HG ARG 33 HG1 ARG 33 12.371 -14.295 -2.753 230 2HG ARG 33 HG2 ARG 33 13.074 -12.679 -2.656 231 1HD ARG 33 HD1 ARG 33 14.823 -13.485 -1.166 232 2HD ARG 33 HD2 ARG 33 14.074 -15.081 -1.095 233 HE ARG 33 HE ARG 33 14.576 -14.536 -3.820 234 1HH1 ARG 33 HH21 ARG 33 17.057 -13.282 -2.694 235 2HH1 ARG 33 HH22 ARG 33 18.145 -14.629 -2.629 236 1HH2 ARG 33 HH11 ARG 33 15.641 -17.006 -2.945 237 2HH2 ARG 33 HH12 ARG 33 17.343 -16.737 -2.771 238 H GLY 34 HN GLY 34 11.059 -12.049 -2.463 239 1HA GLY 34 HA1 GLY 34 11.665 -9.218 -3.173 240 2HA GLY 34 HA2 GLY 34 11.173 -10.462 -4.324 241 H LYS 35 HN LYS 35 9.754 -9.706 -1.155 242 HA LYS 35 HA LYS 35 7.082 -9.991 -1.839 243 1HB LYS 35 HB1 LYS 35 8.451 -8.149 0.114 244 2HB LYS 35 HB2 LYS 35 6.696 -8.122 -0.067 245 1HG LYS 35 HG1 LYS 35 6.672 -10.592 0.358 246 2HG LYS 35 HG2 LYS 35 8.407 -10.518 0.672 247 1HD LYS 35 HD1 LYS 35 7.718 -8.616 2.364 248 2HD LYS 35 HD2 LYS 35 6.134 -9.389 2.282 249 1HE LYS 35 HE1 LYS 35 7.877 -11.532 2.560 250 2HE LYS 35 HE2 LYS 35 8.584 -10.298 3.603 251 1HZ LYS 35 HZ1 LYS 35 6.044 -10.035 4.259 252 2HZ LYS 35 HZ2 LYS 35 6.027 -11.678 3.822 253 3HZ LYS 35 HZ3 LYS 35 7.077 -11.131 5.041 254 H VAL 36 HN VAL 36 5.619 -8.842 -3.041 255 HA VAL 36 HA VAL 36 6.581 -6.300 -4.281 256 HB VAL 36 HB VAL 36 4.058 -7.464 -5.275 257 1HG1 VAL 36 HG11 VAL 36 6.671 -6.641 -6.575 258 2HG1 VAL 36 HG13 VAL 36 5.191 -7.048 -7.443 259 3HG1 VAL 36 HG12 VAL 36 5.238 -5.630 -6.396 260 1HG2 VAL 36 HG22 VAL 36 6.660 -9.011 -5.432 261 2HG2 VAL 36 HG21 VAL 36 5.101 -9.587 -4.842 262 3HG2 VAL 36 HG23 VAL 36 5.327 -9.260 -6.560 263 H LEU 37 HN LEU 37 5.928 -5.840 -1.779 264 HA LEU 37 HA LEU 37 3.049 -5.120 -1.650 265 1HB LEU 37 HB1 LEU 37 5.242 -5.546 0.374 266 2HB LEU 37 HB2 LEU 37 3.741 -4.743 0.806 267 HG LEU 37 HG LEU 37 2.455 -6.677 0.394 268 1HD1 LEU 37 HD13 LEU 37 4.874 -7.770 -1.066 269 2HD1 LEU 37 HD12 LEU 37 3.406 -8.693 -0.743 270 3HD1 LEU 37 HD11 LEU 37 3.347 -7.280 -1.793 271 1HD2 LEU 37 HD23 LEU 37 3.908 -6.832 2.403 272 2HD2 LEU 37 HD22 LEU 37 3.495 -8.409 1.729 273 3HD2 LEU 37 HD21 LEU 37 5.090 -7.715 1.436 274 H GLU 38 HN GLU 38 2.752 -3.006 -2.393 275 HA GLU 38 HA GLU 38 4.542 -0.938 -1.206 276 1HB GLU 38 HB1 GLU 38 4.160 0.230 -3.569 277 2HB GLU 38 HB2 GLU 38 5.501 -0.884 -3.302 278 1HG GLU 38 HG1 GLU 38 4.531 -2.558 -4.559 279 2HG GLU 38 HG2 GLU 38 2.891 -2.066 -4.137 280 H PHE 39 HN PHE 39 3.565 1.273 -1.358 281 HA PHE 39 HA PHE 39 0.597 1.142 -1.416 282 1HB PHE 39 HB1 PHE 39 2.158 3.001 0.375 283 2HB PHE 39 HB2 PHE 39 0.462 2.528 0.503 284 HD1 PHE 39 HD2 PHE 39 0.706 -0.416 0.038 285 HD2 PHE 39 HD1 PHE 39 3.072 2.248 2.441 286 HE1 PHE 39 HE2 PHE 39 1.346 -2.310 1.504 287 HE2 PHE 39 HE1 PHE 39 3.712 0.350 3.910 288 HZ PHE 39 HZ PHE 39 2.848 -1.931 3.441 289 H GLY 40 HN GLY 40 -0.440 3.016 -2.346 290 1HA GLY 40 HA1 GLY 40 1.409 5.067 -3.468 291 2HA GLY 40 HA2 GLY 40 0.323 4.212 -4.562 292 H CYS 41 HN CYS 41 -0.839 6.117 -5.112 293 HA CYS 41 HA CYS 41 -2.221 7.557 -2.926 294 1HB CYS 41 HB1 CYS 41 -1.004 8.624 -4.989 295 2HB CYS 41 HB2 CYS 41 -2.467 8.202 -5.849 296 H ALA 42 HN ALA 42 -4.532 8.194 -3.748 297 HA ALA 42 HA ALA 42 -6.038 6.435 -5.393 298 1HB ALA 42 HB3 ALA 42 -5.267 5.241 -2.957 299 2HB ALA 42 HB2 ALA 42 -6.971 5.658 -2.772 300 3HB ALA 42 HB1 ALA 42 -6.454 4.634 -4.112 301 H ALA 43 HN ALA 43 -8.461 6.457 -4.512 302 HA ALA 43 HA ALA 43 -9.025 9.276 -3.757 303 1HB ALA 43 HB3 ALA 43 -9.765 8.087 -6.042 304 2HB ALA 43 HB2 ALA 43 -11.113 7.576 -5.028 305 3HB ALA 43 HB1 ALA 43 -10.778 9.293 -5.247 306 H THR 44 HN THR 44 -10.141 5.910 -3.297 307 HA THR 44 HA THR 44 -11.071 6.694 -0.598 308 HB THR 44 HB THR 44 -13.287 6.041 -0.884 309 HG1 THR 44 HG1 THR 44 -12.418 4.632 -3.185 310 1HG2 THR 44 HG22 THR 44 -12.712 8.030 -2.318 311 2HG2 THR 44 HG21 THR 44 -12.584 6.931 -3.691 312 3HG2 THR 44 HG23 THR 44 -14.129 7.134 -2.865 313 H CYS 45 HN CYS 45 -10.090 5.265 0.714 314 HA CYS 45 HA CYS 45 -8.617 3.103 0.317 315 1HB CYS 45 HB1 CYS 45 -9.090 3.929 2.542 316 2HB CYS 45 HB2 CYS 45 -10.751 3.354 2.435 317 HA PRO 46 HA PRO 46 -11.561 0.352 -1.736 318 1HB PRO 46 HB1 PRO 46 -9.638 -1.267 -2.856 319 2HB PRO 46 HB2 PRO 46 -10.173 0.264 -3.566 320 1HG PRO 46 HG1 PRO 46 -7.623 -0.385 -2.176 321 2HG PRO 46 HG2 PRO 46 -7.971 0.912 -3.327 322 1HD PRO 46 HD1 PRO 46 -7.787 1.118 -0.476 323 2HD PRO 46 HD2 PRO 46 -8.274 2.391 -1.615 324 H SER 47 HN SER 47 -11.391 -2.290 -1.881 325 HA SER 47 HA SER 47 -10.798 -3.176 0.913 326 1HB SER 47 HB1 SER 47 -12.690 -4.521 -1.026 327 2HB SER 47 HB2 SER 47 -12.593 -4.739 0.719 328 HG SER 47 HG SER 47 -13.721 -3.000 1.029 329 H VAL 48 HN VAL 48 -11.274 -6.000 -0.061 330 HA VAL 48 HA VAL 48 -8.547 -6.412 -1.170 331 HB VAL 48 HB VAL 48 -10.380 -8.267 0.299 332 1HG1 VAL 48 HG12 VAL 48 -8.215 -8.830 -1.475 333 2HG1 VAL 48 HG11 VAL 48 -7.704 -9.225 0.166 334 3HG1 VAL 48 HG13 VAL 48 -9.154 -9.969 -0.509 335 1HG2 VAL 48 HG23 VAL 48 -8.793 -6.264 1.297 336 2HG2 VAL 48 HG22 VAL 48 -9.260 -7.708 2.196 337 3HG2 VAL 48 HG21 VAL 48 -7.708 -7.653 1.358 338 H ASN 49 HN ASN 49 -8.298 -7.383 -3.166 339 HA ASN 49 HA ASN 49 -10.776 -8.093 -4.586 340 1HB ASN 49 HB1 ASN 49 -9.386 -6.388 -5.669 341 2HB ASN 49 HB2 ASN 49 -8.011 -7.492 -5.660 342 1HD2 ASN 49 HD22 ASN 49 -9.104 -8.360 -8.938 343 2HD2 ASN 49 HD21 ASN 49 -7.922 -7.545 -8.032 344 H THR 50 HN THR 50 -7.854 -9.339 -5.921 345 HA THR 50 HA THR 50 -8.815 -12.058 -5.672 346 HB THR 50 HB THR 50 -7.472 -11.257 -7.601 347 HG1 THR 50 HG1 THR 50 -5.974 -13.048 -7.548 348 1HG2 THR 50 HG22 THR 50 -5.722 -10.396 -5.468 349 2HG2 THR 50 HG21 THR 50 -4.848 -11.425 -6.604 350 3HG2 THR 50 HG23 THR 50 -5.677 -9.978 -7.180 351 H GLY 51 HN GLY 51 -5.665 -12.647 -5.115 352 1HA GLY 51 HA1 GLY 51 -6.144 -13.112 -2.244 353 2HA GLY 51 HA2 GLY 51 -4.786 -13.737 -3.183 354 H THR 52 HN THR 52 -5.782 -10.376 -3.289 355 HA THR 52 HA THR 52 -3.185 -9.615 -2.042 356 HB THR 52 HB THR 52 -5.040 -8.240 -4.003 357 HG1 THR 52 HG1 THR 52 -3.291 -9.768 -4.583 358 1HG2 THR 52 HG21 THR 52 -3.446 -6.999 -1.965 359 2HG2 THR 52 HG23 THR 52 -2.705 -6.679 -3.531 360 3HG2 THR 52 HG22 THR 52 -4.385 -6.229 -3.242 361 H GLU 53 HN GLU 53 -3.201 -8.154 -0.275 362 HA GLU 53 HA GLU 53 -5.905 -7.681 0.883 363 1HB GLU 53 HB1 GLU 53 -4.631 -7.409 3.060 364 2HB GLU 53 HB2 GLU 53 -4.592 -9.031 2.372 365 1HG GLU 53 HG1 GLU 53 -2.385 -8.571 1.390 366 2HG GLU 53 HG2 GLU 53 -2.429 -6.929 2.031 367 H ILE 54 HN ILE 54 -6.574 -5.619 0.526 368 HA ILE 54 HA ILE 54 -4.515 -3.481 0.397 369 HB ILE 54 HB ILE 54 -6.898 -4.021 -1.093 370 1HG1 ILE 54 HG11 ILE 54 -5.273 -1.493 -1.266 371 2HG1 ILE 54 HG12 ILE 54 -4.567 -3.048 -1.707 372 1HG2 ILE 54 HG23 ILE 54 -6.991 -1.442 0.496 373 2HG2 ILE 54 HG22 ILE 54 -7.941 -1.722 -0.963 374 3HG2 ILE 54 HG21 ILE 54 -8.205 -2.718 0.470 375 1HD1 ILE 54 HD11 ILE 54 -7.165 -2.872 -2.899 376 2HD1 ILE 54 HD12 ILE 54 -6.286 -1.389 -3.272 377 3HD1 ILE 54 HD13 ILE 54 -5.599 -2.955 -3.706 378 H LYS 55 HN LYS 55 -5.088 -1.416 1.502 379 HA LYS 55 HA LYS 55 -7.023 -1.586 3.700 380 1HB LYS 55 HB1 LYS 55 -4.071 -1.780 4.095 381 2HB LYS 55 HB2 LYS 55 -4.984 -0.789 5.235 382 1HG LYS 55 HG1 LYS 55 -6.358 -3.287 4.705 383 2HG LYS 55 HG2 LYS 55 -4.713 -3.590 5.264 384 1HD LYS 55 HD1 LYS 55 -5.911 -3.414 7.278 385 2HD LYS 55 HD2 LYS 55 -5.272 -1.783 7.073 386 1HE LYS 55 HE1 LYS 55 -7.424 -1.129 5.980 387 2HE LYS 55 HE2 LYS 55 -8.053 -2.741 6.324 388 1HZ LYS 55 HZ3 LYS 55 -6.988 -0.941 8.423 389 2HZ LYS 55 HZ1 LYS 55 -8.626 -0.979 7.988 390 3HZ LYS 55 HZ2 LYS 55 -7.887 -2.367 8.632 391 H CYS 56 HN CYS 56 -6.593 0.585 5.097 392 HA CYS 56 HA CYS 56 -6.538 2.747 3.056 393 1HB CYS 56 HB1 CYS 56 -7.372 3.147 5.916 394 2HB CYS 56 HB2 CYS 56 -7.940 3.976 4.467 395 H CYS 57 HN CYS 57 -5.237 4.602 3.364 396 HA CYS 57 HA CYS 57 -3.461 4.838 5.667 397 1HB CYS 57 HB1 CYS 57 -2.330 3.048 4.384 398 2HB CYS 57 HB2 CYS 57 -2.296 4.093 2.965 399 H SER 58 HN SER 58 -2.348 6.845 5.650 400 HA SER 58 HA SER 58 -2.886 8.595 3.330 401 1HB SER 58 HB1 SER 58 -3.170 9.946 5.928 402 2HB SER 58 HB2 SER 58 -4.145 10.110 4.470 403 HG SER 58 HG SER 58 -5.363 9.128 6.083 404 H ALA 59 HN ALA 59 -0.776 7.494 5.695 405 HA ALA 59 HA ALA 59 1.347 9.211 4.673 406 1HB ALA 59 HB1 ALA 59 0.298 9.598 7.485 407 2HB ALA 59 HB3 ALA 59 1.902 10.128 6.978 408 3HB ALA 59 HB2 ALA 59 0.465 10.817 6.222 409 H ASP 60 HN ASP 60 2.019 8.443 7.871 410 HA ASP 60 HA ASP 60 3.440 5.985 7.023 411 1HB ASP 60 HB1 ASP 60 4.798 7.691 8.186 412 2HB ASP 60 HB2 ASP 60 3.682 7.655 9.551 413 H LYS 61 HN LYS 61 0.592 6.120 7.377 414 HA LYS 61 HA LYS 61 0.196 4.474 9.807 415 1HB LYS 61 HB1 LYS 61 -1.289 6.332 9.872 416 2HB LYS 61 HB2 LYS 61 -1.686 6.161 8.162 417 1HG LYS 61 HG1 LYS 61 -3.024 4.264 8.539 418 2HG LYS 61 HG2 LYS 61 -2.272 3.929 10.099 419 1HD LYS 61 HD1 LYS 61 -3.480 5.611 11.184 420 2HD LYS 61 HD2 LYS 61 -3.767 6.505 9.691 421 1HE LYS 61 HE1 LYS 61 -5.420 4.949 8.964 422 2HE LYS 61 HE2 LYS 61 -4.939 3.758 10.173 423 1HZ LYS 61 HZ3 LYS 61 -5.551 5.673 11.805 424 2HZ LYS 61 HZ1 LYS 61 -6.495 6.224 10.509 425 3HZ LYS 61 HZ2 LYS 61 -6.767 4.678 11.158 426 H CYS 62 HN CYS 62 0.844 4.104 6.639 427 HA CYS 62 HA CYS 62 -1.087 2.366 5.577 428 1HB CYS 62 HB1 CYS 62 1.929 2.269 5.275 429 2HB CYS 62 HB2 CYS 62 0.798 1.379 4.259 430 H ASN 63 HN ASN 63 1.363 1.746 8.022 431 HA ASN 63 HA ASN 63 0.658 -1.133 8.023 432 1HB ASN 63 HB1 ASN 63 2.565 -1.379 9.572 433 2HB ASN 63 HB2 ASN 63 3.055 -0.557 8.090 434 1HD2 ASN 63 HD22 ASN 63 4.012 2.384 9.776 435 2HD2 ASN 63 HD21 ASN 63 3.978 1.511 8.321 436 H THR 64 HN THR 64 0.070 1.799 9.764 437 HA THR 64 HA THR 64 -1.161 2.225 11.715 438 HB THR 64 HB THR 64 -2.630 -0.139 12.078 439 HG1 THR 64 HG1 THR 64 -3.317 -0.463 9.890 440 1HG2 THR 64 HG21 THR 64 -3.232 2.355 12.081 441 2HG2 THR 64 HG23 THR 64 -3.394 2.196 10.332 442 3HG2 THR 64 HG22 THR 64 -4.427 1.249 11.404 443 H TYR 65 HN TYR 65 0.761 2.093 13.045 444 HA TYR 65 HA TYR 65 2.202 0.152 14.141 445 1HB TYR 65 HB1 TYR 65 1.994 2.600 14.899 446 2HB TYR 65 HB2 TYR 65 0.793 2.006 16.045 447 HD1 TYR 65 HD1 TYR 65 1.447 0.208 17.700 448 HD2 TYR 65 HD2 TYR 65 4.326 2.258 15.254 449 HE1 TYR 65 HE1 TYR 65 3.266 -0.545 19.210 450 HE2 TYR 65 HE2 TYR 65 6.145 1.504 16.763 451 HH TYR 65 HH TYR 65 6.167 -0.827 18.594 452 HA PRO 66 HA PRO 66 -1.232 -2.491 15.590 453 1HB PRO 66 HB1 PRO 66 0.041 -4.849 14.961 454 2HB PRO 66 HB2 PRO 66 -0.957 -3.934 13.818 455 1HG PRO 66 HG1 PRO 66 2.021 -4.175 13.977 456 2HG PRO 66 HG2 PRO 66 0.998 -3.853 12.568 457 1HD PRO 66 HD1 PRO 66 2.495 -1.940 14.033 458 2HD PRO 66 HD2 PRO 66 1.235 -1.587 12.832 No H/Q in entry = 458 Start of MODEL 20 1 1H ARG 1 HT1 ARG 1 1.606 14.946 -0.601 2 2H ARG 1 HT2 ARG 1 2.887 15.293 -1.662 3 3H ARG 1 HT3 ARG 1 1.419 14.689 -2.267 4 HA ARG 1 HA ARG 1 2.281 12.671 -2.160 5 1HB ARG 1 HB1 ARG 1 4.477 14.289 -1.431 6 2HB ARG 1 HB2 ARG 1 4.449 12.957 -0.275 7 1HG ARG 1 HG1 ARG 1 4.864 11.376 -1.887 8 2HG ARG 1 HG2 ARG 1 3.984 12.263 -3.131 9 1HD ARG 1 HD1 ARG 1 6.041 12.817 -3.920 10 2HD ARG 1 HD2 ARG 1 6.090 13.957 -2.577 11 HE ARG 1 HE ARG 1 7.001 11.593 -1.463 12 1HH1 ARG 1 HH21 ARG 1 7.899 13.877 -3.861 13 2HH1 ARG 1 HH22 ARG 1 9.522 13.288 -4.015 14 1HH2 ARG 1 HH11 ARG 1 9.060 10.658 -1.802 15 2HH2 ARG 1 HH12 ARG 1 10.178 11.467 -2.849 16 H GLU 2 HN GLU 2 1.729 10.879 -0.884 17 HA GLU 2 HA GLU 2 1.495 11.308 2.039 18 1HB GLU 2 HB1 GLU 2 -0.826 10.072 1.796 19 2HB GLU 2 HB2 GLU 2 -0.732 11.819 1.571 20 1HG GLU 2 HG1 GLU 2 -0.158 10.278 -0.869 21 2HG GLU 2 HG2 GLU 2 -1.795 10.045 -0.254 22 H CYS 3 HN CYS 3 3.302 9.777 0.517 23 HA CYS 3 HA CYS 3 2.943 7.179 1.821 24 1HB CYS 3 HB1 CYS 3 3.433 7.082 -1.150 25 2HB CYS 3 HB2 CYS 3 2.881 5.793 -0.086 26 H TYR 4 HN TYR 4 4.738 8.946 -0.635 27 HA TYR 4 HA TYR 4 7.029 9.024 -1.120 28 1HB TYR 4 HB1 TYR 4 8.256 9.308 1.315 29 2HB TYR 4 HB2 TYR 4 7.480 10.617 0.424 30 HD1 TYR 4 HD1 TYR 4 4.957 11.029 0.856 31 HD2 TYR 4 HD2 TYR 4 7.426 8.639 3.436 32 HE1 TYR 4 HE1 TYR 4 3.298 11.289 2.682 33 HE2 TYR 4 HE2 TYR 4 5.766 8.897 5.262 34 HH TYR 4 HH TYR 4 3.296 11.188 5.190 35 H LEU 5 HN LEU 5 7.585 7.419 2.014 36 HA LEU 5 HA LEU 5 8.549 5.175 0.440 37 1HB LEU 5 HB1 LEU 5 10.095 6.107 2.769 38 2HB LEU 5 HB2 LEU 5 10.588 5.067 1.447 39 HG LEU 5 HG LEU 5 9.883 7.313 0.081 40 1HD1 LEU 5 HD13 LEU 5 9.806 8.201 2.673 41 2HD1 LEU 5 HD12 LEU 5 11.468 8.582 2.224 42 3HD1 LEU 5 HD11 LEU 5 10.129 9.233 1.280 43 1HD2 LEU 5 HD21 LEU 5 12.312 5.974 0.906 44 2HD2 LEU 5 HD22 LEU 5 11.980 6.837 -0.596 45 3HD2 LEU 5 HD23 LEU 5 12.582 7.714 0.811 46 H ASN 6 HN ASN 6 7.813 6.158 3.796 47 HA ASN 6 HA ASN 6 7.076 4.791 5.577 48 1HB ASN 6 HB1 ASN 6 5.075 3.701 5.088 49 2HB ASN 6 HB2 ASN 6 5.209 4.741 3.678 50 1HD2 ASN 6 HD22 ASN 6 5.208 2.004 1.473 51 2HD2 ASN 6 HD21 ASN 6 4.873 3.646 1.742 52 HA PRO 7 HA PRO 7 9.446 1.078 5.723 53 1HB PRO 7 HB1 PRO 7 7.807 -0.804 6.881 54 2HB PRO 7 HB2 PRO 7 8.534 0.550 7.764 55 1HG PRO 7 HG1 PRO 7 5.710 0.159 6.884 56 2HG PRO 7 HG2 PRO 7 6.342 1.147 8.211 57 1HD PRO 7 HD1 PRO 7 5.509 2.054 5.634 58 2HD PRO 7 HD2 PRO 7 6.329 3.019 6.880 59 H HIS 8 HN HIS 8 8.243 1.325 3.097 60 HA HIS 8 HA HIS 8 8.473 -1.440 2.217 61 1HB HIS 8 HB1 HIS 8 5.811 -0.250 2.627 62 2HB HIS 8 HB2 HIS 8 6.048 -0.966 1.033 63 HD1 HIS 8 HD1 HIS 8 4.152 -2.612 2.422 64 HD2 HIS 8 HD2 HIS 8 8.208 -3.020 3.288 65 HE1 HIS 8 HE1 HIS 8 4.425 -4.877 3.525 66 H ASP 9 HN ASP 9 7.371 -1.307 -0.280 67 HA ASP 9 HA ASP 9 9.284 0.118 -1.794 68 1HB ASP 9 HB1 ASP 9 7.100 -1.612 -2.318 69 2HB ASP 9 HB2 ASP 9 6.870 -0.181 -3.325 70 H THR 10 HN THR 10 5.858 1.008 -1.218 71 HA THR 10 HA THR 10 4.879 3.135 -1.130 72 HB THR 10 HB THR 10 7.280 4.739 -1.646 73 HG1 THR 10 HG1 THR 10 8.572 3.591 -0.463 74 1HG2 THR 10 HG23 THR 10 4.954 4.584 0.143 75 2HG2 THR 10 HG22 THR 10 6.402 5.216 0.900 76 3HG2 THR 10 HG21 THR 10 5.765 5.991 -0.539 77 H GLN 11 HN GLN 11 5.184 5.362 -2.531 78 HA GLN 11 HA GLN 11 5.954 5.006 -5.269 79 1HB GLN 11 HB1 GLN 11 4.013 3.651 -5.532 80 2HB GLN 11 HB2 GLN 11 3.045 4.715 -4.517 81 1HG GLN 11 HG1 GLN 11 2.425 5.898 -6.329 82 2HG GLN 11 HG2 GLN 11 4.114 6.256 -6.687 83 1HE2 GLN 11 HE22 GLN 11 2.641 4.309 -9.548 84 2HE2 GLN 11 HE21 GLN 11 2.239 5.773 -8.790 85 H THR 12 HN THR 12 4.075 6.744 -2.854 86 HA THR 12 HA THR 12 4.073 9.043 -2.371 87 HB THR 12 HB THR 12 5.633 10.463 -3.315 88 HG1 THR 12 HG1 THR 12 5.716 10.695 -5.380 89 1HG2 THR 12 HG22 THR 12 6.445 7.881 -2.788 90 2HG2 THR 12 HG21 THR 12 7.156 8.201 -4.369 91 3HG2 THR 12 HG23 THR 12 7.516 9.264 -3.008 92 H CYS 13 HN CYS 13 2.746 10.755 -2.940 93 HA CYS 13 HA CYS 13 1.367 10.657 -5.566 94 1HB CYS 13 HB1 CYS 13 -0.032 9.302 -4.109 95 2HB CYS 13 HB2 CYS 13 0.017 10.539 -2.856 96 HA PRO 14 HA PRO 14 2.305 14.917 -4.008 97 1HB PRO 14 HB1 PRO 14 3.757 15.668 -6.225 98 2HB PRO 14 HB2 PRO 14 4.471 14.919 -4.786 99 1HG PRO 14 HG1 PRO 14 3.915 13.728 -7.475 100 2HG PRO 14 HG2 PRO 14 5.153 13.284 -6.287 101 1HD PRO 14 HD1 PRO 14 2.703 11.925 -6.750 102 2HD PRO 14 HD2 PRO 14 3.783 11.685 -5.359 103 H SER 15 HN SER 15 1.021 13.543 -6.946 104 HA SER 15 HA SER 15 -0.706 15.952 -7.258 105 1HB SER 15 HB1 SER 15 -0.161 16.300 -9.455 106 2HB SER 15 HB2 SER 15 1.361 15.562 -8.962 107 HG SER 15 HG SER 15 -0.700 14.518 -10.489 108 H GLY 16 HN GLY 16 -2.744 15.455 -8.368 109 1HA GLY 16 HA1 GLY 16 -4.328 13.861 -9.294 110 2HA GLY 16 HA2 GLY 16 -3.361 12.553 -8.612 111 H GLN 17 HN GLN 17 -4.536 11.571 -7.034 112 HA GLN 17 HA GLN 17 -6.610 12.984 -5.556 113 1HB GLN 17 HB1 GLN 17 -5.408 10.246 -5.041 114 2HB GLN 17 HB2 GLN 17 -6.931 10.857 -4.392 115 1HG GLN 17 HG1 GLN 17 -6.309 10.487 -7.340 116 2HG GLN 17 HG2 GLN 17 -7.290 9.393 -6.366 117 1HE2 GLN 17 HE22 GLN 17 -9.348 12.127 -8.135 118 2HE2 GLN 17 HE21 GLN 17 -8.054 11.197 -8.719 119 H GLU 18 HN GLU 18 -6.245 11.919 -2.960 120 HA GLU 18 HA GLU 18 -3.650 13.071 -2.064 121 1HB GLU 18 HB1 GLU 18 -6.360 13.803 -0.912 122 2HB GLU 18 HB2 GLU 18 -4.799 14.338 -0.286 123 1HG GLU 18 HG1 GLU 18 -5.716 14.862 -3.125 124 2HG GLU 18 HG2 GLU 18 -5.969 16.002 -1.803 125 H ILE 19 HN ILE 19 -5.529 10.433 -2.105 126 HA ILE 19 HA ILE 19 -5.058 9.701 0.748 127 HB ILE 19 HB ILE 19 -6.561 8.092 -1.305 128 1HG1 ILE 19 HG11 ILE 19 -7.239 10.695 -0.505 129 2HG1 ILE 19 HG12 ILE 19 -8.308 9.527 -1.267 130 1HG2 ILE 19 HG21 ILE 19 -6.479 8.199 1.717 131 2HG2 ILE 19 HG22 ILE 19 -7.737 7.336 0.830 132 3HG2 ILE 19 HG23 ILE 19 -6.049 6.848 0.668 133 1HD1 ILE 19 HD12 ILE 19 -7.885 9.725 1.728 134 2HD1 ILE 19 HD13 ILE 19 -9.220 10.491 0.868 135 3HD1 ILE 19 HD11 ILE 19 -9.080 8.734 0.893 136 H CYS 20 HN CYS 20 -4.185 7.572 1.152 137 HA CYS 20 HA CYS 20 -2.374 6.620 -1.031 138 1HB CYS 20 HB1 CYS 20 -1.227 7.904 0.863 139 2HB CYS 20 HB2 CYS 20 -1.685 6.568 1.918 140 H TYR 21 HN TYR 21 -2.712 4.477 -1.496 141 HA TYR 21 HA TYR 21 -4.286 2.914 0.498 142 1HB TYR 21 HB1 TYR 21 -5.049 1.555 -1.264 143 2HB TYR 21 HB2 TYR 21 -4.960 3.143 -2.024 144 HD1 TYR 21 HD2 TYR 21 -3.091 -0.048 -1.538 145 HD2 TYR 21 HD1 TYR 21 -3.510 3.534 -3.862 146 HE1 TYR 21 HE2 TYR 21 -1.473 -0.933 -3.197 147 HE2 TYR 21 HE1 TYR 21 -1.893 2.653 -5.522 148 HH TYR 21 HH TYR 21 -1.096 -0.429 -5.842 149 H VAL 22 HN VAL 22 -3.531 0.776 1.077 150 HA VAL 22 HA VAL 22 -0.626 0.398 0.495 151 HB VAL 22 HB VAL 22 -0.231 -0.323 2.726 152 1HG1 VAL 22 HG13 VAL 22 -0.739 2.191 2.333 153 2HG1 VAL 22 HG12 VAL 22 -2.265 1.868 3.158 154 3HG1 VAL 22 HG11 VAL 22 -0.738 1.612 3.998 155 1HG2 VAL 22 HG22 VAL 22 -3.237 -0.486 2.897 156 2HG2 VAL 22 HG21 VAL 22 -2.057 -1.770 3.154 157 3HG2 VAL 22 HG23 VAL 22 -2.222 -0.474 4.339 158 H LYS 23 HN LYS 23 -0.510 -1.298 -0.890 159 HA LYS 23 HA LYS 23 -2.476 -3.515 -0.617 160 1HB LYS 23 HB1 LYS 23 -0.655 -2.551 -2.799 161 2HB LYS 23 HB2 LYS 23 -1.138 -4.246 -2.787 162 1HG LYS 23 HG1 LYS 23 -3.480 -3.644 -2.857 163 2HG LYS 23 HG2 LYS 23 -3.094 -1.934 -2.650 164 1HD LYS 23 HD1 LYS 23 -1.614 -2.365 -4.817 165 2HD LYS 23 HD2 LYS 23 -2.758 -3.686 -5.058 166 1HE LYS 23 HE1 LYS 23 -4.575 -2.241 -5.291 167 2HE LYS 23 HE2 LYS 23 -3.789 -0.945 -4.389 168 1HZ LYS 23 HZ3 LYS 23 -2.312 -1.657 -6.720 169 2HZ LYS 23 HZ1 LYS 23 -3.898 -1.204 -7.116 170 3HZ LYS 23 HZ2 LYS 23 -2.905 -0.138 -6.241 171 H SER 24 HN SER 24 -1.831 -5.539 0.062 172 HA SER 24 HA SER 24 1.093 -5.977 0.415 173 1HB SER 24 HB1 SER 24 -1.063 -6.003 2.442 174 2HB SER 24 HB2 SER 24 0.046 -7.369 2.515 175 HG SER 24 HG SER 24 0.517 -4.678 2.969 176 H TRP 25 HN TRP 25 1.038 -7.303 -1.492 177 HA TRP 25 HA TRP 25 -0.501 -9.855 -1.110 178 1HB TRP 25 HB1 TRP 25 -0.619 -10.033 -3.520 179 2HB TRP 25 HB2 TRP 25 -1.176 -8.423 -3.056 180 HD1 TRP 25 HD1 TRP 25 1.580 -10.191 -4.931 181 HE1 TRP 25 HE1 TRP 25 3.088 -8.416 -6.046 182 HE3 TRP 25 HE3 TRP 25 -0.208 -6.060 -2.635 183 HZ2 TRP 25 HZ2 TRP 25 3.479 -5.558 -5.929 184 HZ3 TRP 25 HZ3 TRP 25 0.729 -3.862 -3.097 185 HH2 TRP 25 HH2 TRP 25 2.571 -3.566 -4.745 186 H CYS 26 HN CYS 26 0.547 -11.811 -1.806 187 HA CYS 26 HA CYS 26 3.431 -11.673 -2.437 188 1HB CYS 26 HB1 CYS 26 2.902 -11.858 0.163 189 2HB CYS 26 HB2 CYS 26 2.629 -13.553 -0.245 190 H ASN 27 HN ASN 27 4.184 -14.152 -2.636 191 HA ASN 27 HA ASN 27 2.018 -15.540 -4.162 192 1HB ASN 27 HB1 ASN 27 4.990 -15.962 -4.525 193 2HB ASN 27 HB2 ASN 27 3.685 -16.410 -5.625 194 1HD2 ASN 27 HD22 ASN 27 3.142 -12.848 -6.491 195 2HD2 ASN 27 HD21 ASN 27 2.197 -14.141 -5.929 196 H ALA 28 HN ALA 28 3.022 -18.062 -4.356 197 HA ALA 28 HA ALA 28 2.859 -18.982 -1.561 198 1HB ALA 28 HB2 ALA 28 2.943 -20.529 -4.165 199 2HB ALA 28 HB1 ALA 28 2.678 -21.240 -2.573 200 3HB ALA 28 HB3 ALA 28 1.492 -20.124 -3.249 201 H TRP 29 HN TRP 29 5.322 -17.681 -2.825 202 HA TRP 29 HA TRP 29 7.241 -19.815 -2.024 203 1HB TRP 29 HB1 TRP 29 7.655 -17.850 -4.259 204 2HB TRP 29 HB2 TRP 29 8.694 -19.181 -3.807 205 HD1 TRP 29 HD1 TRP 29 4.898 -18.895 -4.652 206 HE1 TRP 29 HE1 TRP 29 4.338 -20.854 -6.247 207 HE3 TRP 29 HE3 TRP 29 9.453 -21.030 -4.948 208 HZ2 TRP 29 HZ2 TRP 29 5.702 -23.072 -7.492 209 HZ3 TRP 29 HZ3 TRP 29 9.850 -23.072 -6.333 210 HH2 TRP 29 HH2 TRP 29 7.971 -24.091 -7.602 211 H CYS 30 HN CYS 30 6.028 -17.196 -0.810 212 HA CYS 30 HA CYS 30 8.176 -15.316 -0.618 213 1HB CYS 30 HB1 CYS 30 6.151 -15.679 1.565 214 2HB CYS 30 HB2 CYS 30 6.883 -14.203 0.956 215 H SER 31 HN SER 31 8.181 -18.450 0.497 216 HA SER 31 HA SER 31 8.962 -18.534 3.127 217 1HB SER 31 HB1 SER 31 9.404 -20.155 0.848 218 2HB SER 31 HB2 SER 31 10.980 -19.929 1.599 219 HG SER 31 HG SER 31 8.832 -21.343 2.483 220 H SER 32 HN SER 32 9.905 -16.618 3.859 221 HA SER 32 HA SER 32 11.541 -14.949 4.098 222 1HB SER 32 HB1 SER 32 13.662 -16.941 3.543 223 2HB SER 32 HB2 SER 32 13.496 -15.819 4.889 224 HG SER 32 HG SER 32 13.102 -17.852 5.683 225 H ARG 33 HN ARG 33 10.833 -14.146 2.000 226 HA ARG 33 HA ARG 33 13.115 -14.172 0.074 227 1HB ARG 33 HB1 ARG 33 10.342 -14.993 -0.412 228 2HB ARG 33 HB2 ARG 33 10.912 -13.769 -1.549 229 1HG ARG 33 HG1 ARG 33 12.284 -16.399 -0.910 230 2HG ARG 33 HG2 ARG 33 11.435 -16.005 -2.405 231 1HD ARG 33 HD1 ARG 33 13.105 -13.959 -2.451 232 2HD ARG 33 HD2 ARG 33 14.070 -14.985 -1.389 233 HE ARG 33 HE ARG 33 13.184 -16.433 -3.735 234 1HH1 ARG 33 HH21 ARG 33 15.909 -15.915 -2.097 235 2HH1 ARG 33 HH22 ARG 33 16.926 -15.508 -3.438 236 1HH2 ARG 33 HH11 ARG 33 14.293 -15.142 -5.665 237 2HH2 ARG 33 HH12 ARG 33 16.012 -15.070 -5.458 238 H GLY 34 HN GLY 34 10.074 -12.499 -0.486 239 1HA GLY 34 HA1 GLY 34 10.677 -10.021 0.761 240 2HA GLY 34 HA2 GLY 34 11.354 -9.979 -0.867 241 H LYS 35 HN LYS 35 8.357 -10.326 0.976 242 HA LYS 35 HA LYS 35 6.472 -10.627 -1.059 243 1HB LYS 35 HB1 LYS 35 6.214 -8.757 1.316 244 2HB LYS 35 HB2 LYS 35 4.890 -9.480 0.403 245 1HG LYS 35 HG1 LYS 35 4.981 -11.096 2.012 246 2HG LYS 35 HG2 LYS 35 6.348 -11.698 1.073 247 1HD LYS 35 HD1 LYS 35 7.747 -11.257 2.781 248 2HD LYS 35 HD2 LYS 35 7.242 -9.567 2.790 249 1HE LYS 35 HE1 LYS 35 5.128 -10.468 4.036 250 2HE LYS 35 HE2 LYS 35 6.127 -11.885 4.359 251 1HZ LYS 35 HZ1 LYS 35 7.028 -9.126 4.944 252 2HZ LYS 35 HZ2 LYS 35 6.198 -10.080 6.079 253 3HZ LYS 35 HZ3 LYS 35 7.708 -10.582 5.485 254 H VAL 36 HN VAL 36 5.167 -9.014 -2.219 255 HA VAL 36 HA VAL 36 6.787 -6.606 -2.926 256 HB VAL 36 HB VAL 36 4.476 -7.171 -4.635 257 1HG1 VAL 36 HG13 VAL 36 7.449 -6.768 -4.990 258 2HG1 VAL 36 HG12 VAL 36 6.386 -7.127 -6.351 259 3HG1 VAL 36 HG11 VAL 36 6.142 -5.660 -5.404 260 1HG2 VAL 36 HG23 VAL 36 6.635 -9.278 -4.321 261 2HG2 VAL 36 HG22 VAL 36 4.899 -9.498 -4.113 262 3HG2 VAL 36 HG21 VAL 36 5.561 -9.178 -5.715 263 H LEU 37 HN LEU 37 5.892 -5.608 -0.906 264 HA LEU 37 HA LEU 37 3.037 -4.838 -1.155 265 1HB LEU 37 HB1 LEU 37 4.993 -4.913 1.140 266 2HB LEU 37 HB2 LEU 37 3.399 -4.198 1.265 267 HG LEU 37 HG LEU 37 2.444 -6.221 1.553 268 1HD1 LEU 37 HD12 LEU 37 2.681 -6.563 -0.981 269 2HD1 LEU 37 HD11 LEU 37 4.124 -7.501 -0.608 270 3HD1 LEU 37 HD13 LEU 37 2.554 -8.024 -0.009 271 1HD2 LEU 37 HD23 LEU 37 5.344 -7.005 1.601 272 2HD2 LEU 37 HD22 LEU 37 4.268 -6.709 2.967 273 3HD2 LEU 37 HD21 LEU 37 4.058 -8.152 1.974 274 H GLU 38 HN GLU 38 2.782 -2.889 -2.112 275 HA GLU 38 HA GLU 38 4.602 -0.670 -1.280 276 1HB GLU 38 HB1 GLU 38 4.516 0.198 -3.605 277 2HB GLU 38 HB2 GLU 38 5.272 -1.395 -3.536 278 1HG GLU 38 HG1 GLU 38 3.757 -2.102 -5.047 279 2HG GLU 38 HG2 GLU 38 2.507 -1.874 -3.822 280 H PHE 39 HN PHE 39 3.571 1.401 -1.258 281 HA PHE 39 HA PHE 39 0.609 1.274 -1.346 282 1HB PHE 39 HB1 PHE 39 2.183 3.248 0.301 283 2HB PHE 39 HB2 PHE 39 0.510 2.730 0.512 284 HD1 PHE 39 HD2 PHE 39 1.048 -0.259 0.019 285 HD2 PHE 39 HD1 PHE 39 2.985 2.651 2.521 286 HE1 PHE 39 HE2 PHE 39 1.808 -2.069 1.530 287 HE2 PHE 39 HE1 PHE 39 3.746 0.835 4.035 288 HZ PHE 39 HZ PHE 39 3.157 -1.529 3.538 289 H GLY 40 HN GLY 40 -0.441 2.846 -2.577 290 1HA GLY 40 HA1 GLY 40 1.328 4.905 -3.842 291 2HA GLY 40 HA2 GLY 40 0.110 4.032 -4.767 292 H CYS 41 HN CYS 41 -1.092 5.892 -5.321 293 HA CYS 41 HA CYS 41 -2.180 7.542 -3.108 294 1HB CYS 41 HB1 CYS 41 -1.126 8.448 -5.317 295 2HB CYS 41 HB2 CYS 41 -2.658 8.014 -6.042 296 H ALA 42 HN ALA 42 -4.525 8.235 -3.696 297 HA ALA 42 HA ALA 42 -6.309 6.573 -5.112 298 1HB ALA 42 HB2 ALA 42 -5.852 5.733 -2.241 299 2HB ALA 42 HB1 ALA 42 -7.277 5.271 -3.172 300 3HB ALA 42 HB3 ALA 42 -5.677 4.741 -3.688 301 H ALA 43 HN ALA 43 -8.586 6.652 -3.926 302 HA ALA 43 HA ALA 43 -8.945 9.455 -3.004 303 1HB ALA 43 HB1 ALA 43 -10.023 8.639 -5.192 304 2HB ALA 43 HB3 ALA 43 -11.093 7.683 -4.168 305 3HB ALA 43 HB2 ALA 43 -11.085 9.441 -4.034 306 H THR 44 HN THR 44 -10.088 6.111 -2.505 307 HA THR 44 HA THR 44 -10.547 6.764 0.343 308 HB THR 44 HB THR 44 -12.726 7.168 -0.759 309 HG1 THR 44 HG1 THR 44 -13.838 5.966 0.668 310 1HG2 THR 44 HG21 THR 44 -11.976 5.145 -2.452 311 2HG2 THR 44 HG23 THR 44 -13.150 4.329 -1.419 312 3HG2 THR 44 HG22 THR 44 -13.616 5.776 -2.314 313 H CYS 45 HN CYS 45 -10.591 4.837 1.670 314 HA CYS 45 HA CYS 45 -8.787 2.897 1.224 315 1HB CYS 45 HB1 CYS 45 -10.266 3.379 3.271 316 2HB CYS 45 HB2 CYS 45 -11.394 2.242 2.547 317 HA PRO 46 HA PRO 46 -10.860 0.771 -2.189 318 1HB PRO 46 HB1 PRO 46 -8.622 -0.582 -3.042 319 2HB PRO 46 HB2 PRO 46 -8.989 1.094 -3.486 320 1HG PRO 46 HG1 PRO 46 -6.955 0.039 -1.578 321 2HG PRO 46 HG2 PRO 46 -6.973 1.575 -2.458 322 1HD PRO 46 HD1 PRO 46 -7.659 1.150 0.281 323 2HD PRO 46 HD2 PRO 46 -7.866 2.649 -0.648 324 H SER 47 HN SER 47 -11.282 -1.539 -2.673 325 HA SER 47 HA SER 47 -10.452 -3.428 -0.524 326 1HB SER 47 HB1 SER 47 -12.693 -2.558 0.061 327 2HB SER 47 HB2 SER 47 -13.295 -3.060 -1.517 328 HG SER 47 HG SER 47 -12.001 -4.913 0.143 329 H VAL 48 HN VAL 48 -9.027 -4.135 -2.349 330 HA VAL 48 HA VAL 48 -10.492 -5.609 -4.475 331 HB VAL 48 HB VAL 48 -7.561 -5.051 -4.340 332 1HG1 VAL 48 HG13 VAL 48 -9.479 -5.962 -6.475 333 2HG1 VAL 48 HG12 VAL 48 -7.903 -5.280 -6.879 334 3HG1 VAL 48 HG11 VAL 48 -8.006 -6.759 -5.924 335 1HG2 VAL 48 HG23 VAL 48 -9.801 -3.267 -4.922 336 2HG2 VAL 48 HG22 VAL 48 -8.107 -2.872 -4.632 337 3HG2 VAL 48 HG21 VAL 48 -8.637 -3.354 -6.244 338 H ASN 49 HN ASN 49 -10.849 -7.711 -3.926 339 HA ASN 49 HA ASN 49 -9.085 -9.056 -2.042 340 1HB ASN 49 HB1 ASN 49 -11.505 -9.391 -1.859 341 2HB ASN 49 HB2 ASN 49 -11.549 -10.031 -3.502 342 1HD2 ASN 49 HD22 ASN 49 -10.147 -12.370 -0.447 343 2HD2 ASN 49 HD21 ASN 49 -10.401 -10.711 -0.197 344 H THR 50 HN THR 50 -8.180 -8.334 -4.855 345 HA THR 50 HA THR 50 -7.937 -10.859 -6.285 346 HB THR 50 HB THR 50 -7.853 -8.644 -7.426 347 HG1 THR 50 HG1 THR 50 -6.173 -9.223 -8.773 348 1HG2 THR 50 HG23 THR 50 -6.314 -7.809 -5.401 349 2HG2 THR 50 HG22 THR 50 -5.036 -8.266 -6.528 350 3HG2 THR 50 HG21 THR 50 -6.237 -7.064 -6.997 351 H GLY 51 HN GLY 51 -7.075 -12.110 -4.369 352 1HA GLY 51 HA1 GLY 51 -5.310 -12.910 -3.010 353 2HA GLY 51 HA2 GLY 51 -4.420 -12.820 -4.532 354 H THR 52 HN THR 52 -5.747 -9.958 -3.020 355 HA THR 52 HA THR 52 -3.045 -9.196 -2.023 356 HB THR 52 HB THR 52 -4.806 -7.643 -3.937 357 HG1 THR 52 HG1 THR 52 -2.763 -7.589 -5.057 358 1HG2 THR 52 HG22 THR 52 -2.423 -6.699 -2.315 359 2HG2 THR 52 HG21 THR 52 -3.153 -5.797 -3.644 360 3HG2 THR 52 HG23 THR 52 -4.082 -6.113 -2.179 361 H GLU 53 HN GLU 53 -3.155 -8.174 -0.053 362 HA GLU 53 HA GLU 53 -5.862 -7.585 1.011 363 1HB GLU 53 HB1 GLU 53 -4.751 -7.533 3.208 364 2HB GLU 53 HB2 GLU 53 -4.359 -9.029 2.358 365 1HG GLU 53 HG1 GLU 53 -2.390 -7.304 1.478 366 2HG GLU 53 HG2 GLU 53 -2.604 -6.808 3.156 367 H ILE 54 HN ILE 54 -6.468 -5.485 0.537 368 HA ILE 54 HA ILE 54 -4.367 -3.395 0.563 369 HB ILE 54 HB ILE 54 -6.745 -3.847 -0.973 370 1HG1 ILE 54 HG11 ILE 54 -5.259 -1.312 -1.294 371 2HG1 ILE 54 HG12 ILE 54 -4.271 -2.772 -1.311 372 1HG2 ILE 54 HG23 ILE 54 -6.752 -1.276 0.630 373 2HG2 ILE 54 HG22 ILE 54 -7.687 -1.505 -0.847 374 3HG2 ILE 54 HG21 ILE 54 -8.021 -2.497 0.573 375 1HD1 ILE 54 HD11 ILE 54 -6.801 -2.704 -2.924 376 2HD1 ILE 54 HD12 ILE 54 -5.367 -1.891 -3.548 377 3HD1 ILE 54 HD13 ILE 54 -5.322 -3.621 -3.210 378 H LYS 55 HN LYS 55 -4.876 -1.344 1.694 379 HA LYS 55 HA LYS 55 -6.845 -1.518 3.879 380 1HB LYS 55 HB1 LYS 55 -4.097 -0.708 4.702 381 2HB LYS 55 HB2 LYS 55 -5.360 -1.501 5.638 382 1HG LYS 55 HG1 LYS 55 -4.963 -3.580 4.278 383 2HG LYS 55 HG2 LYS 55 -3.587 -2.768 3.531 384 1HD LYS 55 HD1 LYS 55 -2.481 -3.796 5.273 385 2HD LYS 55 HD2 LYS 55 -2.976 -2.323 6.109 386 1HE LYS 55 HE1 LYS 55 -5.199 -3.942 6.372 387 2HE LYS 55 HE2 LYS 55 -3.871 -5.095 6.504 388 1HZ LYS 55 HZ3 LYS 55 -3.996 -2.561 8.038 389 2HZ LYS 55 HZ1 LYS 55 -4.562 -4.043 8.636 390 3HZ LYS 55 HZ2 LYS 55 -2.916 -3.852 8.261 391 H CYS 56 HN CYS 56 -6.610 0.661 5.194 392 HA CYS 56 HA CYS 56 -6.439 2.819 3.152 393 1HB CYS 56 HB1 CYS 56 -7.432 3.532 5.837 394 2HB CYS 56 HB2 CYS 56 -8.139 3.862 4.258 395 H CYS 57 HN CYS 57 -4.843 4.348 3.291 396 HA CYS 57 HA CYS 57 -3.418 4.761 5.845 397 1HB CYS 57 HB1 CYS 57 -2.206 2.880 4.894 398 2HB CYS 57 HB2 CYS 57 -2.085 3.703 3.340 399 H SER 58 HN SER 58 -2.345 6.763 5.903 400 HA SER 58 HA SER 58 -2.305 8.338 3.407 401 1HB SER 58 HB1 SER 58 -3.132 10.280 5.088 402 2HB SER 58 HB2 SER 58 -4.247 9.327 4.115 403 HG SER 58 HG SER 58 -4.824 9.352 6.334 404 H ALA 59 HN ALA 59 -0.721 7.311 6.111 405 HA ALA 59 HA ALA 59 1.514 9.093 5.589 406 1HB ALA 59 HB1 ALA 59 -0.096 9.446 8.129 407 2HB ALA 59 HB3 ALA 59 1.558 10.030 7.944 408 3HB ALA 59 HB2 ALA 59 0.277 10.672 6.916 409 H ASP 60 HN ASP 60 1.452 8.294 8.868 410 HA ASP 60 HA ASP 60 3.142 5.917 8.344 411 1HB ASP 60 HB1 ASP 60 4.106 7.615 9.842 412 2HB ASP 60 HB2 ASP 60 2.678 7.535 10.875 413 H LYS 61 HN LYS 61 0.293 5.896 7.976 414 HA LYS 61 HA LYS 61 -0.605 4.175 10.214 415 1HB LYS 61 HB1 LYS 61 -2.160 5.959 9.902 416 2HB LYS 61 HB2 LYS 61 -2.122 5.769 8.149 417 1HG LYS 61 HG1 LYS 61 -3.447 3.852 8.198 418 2HG LYS 61 HG2 LYS 61 -2.982 3.450 9.851 419 1HD LYS 61 HD1 LYS 61 -4.267 6.014 9.864 420 2HD LYS 61 HD2 LYS 61 -5.288 4.882 8.976 421 1HE LYS 61 HE1 LYS 61 -5.637 3.543 10.824 422 2HE LYS 61 HE2 LYS 61 -4.068 3.928 11.530 423 1HZ LYS 61 HZ2 LYS 61 -5.746 6.227 11.321 424 2HZ LYS 61 HZ3 LYS 61 -6.473 5.004 12.250 425 3HZ LYS 61 HZ1 LYS 61 -4.942 5.596 12.679 426 H CYS 62 HN CYS 62 0.706 4.014 7.175 427 HA CYS 62 HA CYS 62 -0.801 2.070 5.803 428 1HB CYS 62 HB1 CYS 62 2.166 2.620 5.934 429 2HB CYS 62 HB2 CYS 62 1.509 1.349 4.907 430 H ASN 63 HN ASN 63 1.601 1.685 8.389 431 HA ASN 63 HA ASN 63 1.017 -1.227 8.446 432 1HB ASN 63 HB1 ASN 63 3.006 -1.368 9.927 433 2HB ASN 63 HB2 ASN 63 3.395 -0.628 8.373 434 1HD2 ASN 63 HD22 ASN 63 4.451 2.386 9.852 435 2HD2 ASN 63 HD21 ASN 63 4.396 1.401 8.470 436 H THR 64 HN THR 64 1.049 1.672 10.505 437 HA THR 64 HA THR 64 -0.128 2.134 12.481 438 HB THR 64 HB THR 64 -1.878 -0.145 12.587 439 HG1 THR 64 HG1 THR 64 -2.811 0.211 10.515 440 1HG2 THR 64 HG21 THR 64 -2.133 2.799 11.959 441 2HG2 THR 64 HG23 THR 64 -3.524 1.725 12.118 442 3HG2 THR 64 HG22 THR 64 -2.454 1.993 13.495 443 H TYR 65 HN TYR 65 1.400 1.761 14.058 444 HA TYR 65 HA TYR 65 2.769 0.533 15.554 445 1HB TYR 65 HB1 TYR 65 0.929 0.902 16.956 446 2HB TYR 65 HB2 TYR 65 -0.111 -0.166 16.022 447 HD1 TYR 65 HD1 TYR 65 3.239 -0.461 17.709 448 HD2 TYR 65 HD2 TYR 65 -0.687 -2.121 17.160 449 HE1 TYR 65 HE1 TYR 65 3.817 -2.333 19.233 450 HE2 TYR 65 HE2 TYR 65 -0.108 -3.993 18.684 451 HH TYR 65 HH TYR 65 2.786 -3.980 20.593 452 HA PRO 66 HA PRO 66 2.951 -3.335 13.057 453 1HB PRO 66 HB1 PRO 66 5.594 -3.013 12.353 454 2HB PRO 66 HB2 PRO 66 4.238 -2.374 11.408 455 1HG PRO 66 HG1 PRO 66 6.153 -0.934 13.199 456 2HG PRO 66 HG2 PRO 66 5.258 -0.326 11.797 457 1HD PRO 66 HD1 PRO 66 4.597 0.094 14.526 458 2HD PRO 66 HD2 PRO 66 3.545 0.424 13.133 No H/Q in entry = 458 Start of MODEL 21 1 1H ARG 1 HT2 ARG 1 3.026 15.721 -0.970 2 2H ARG 1 HT3 ARG 1 4.134 15.341 -2.199 3 3H ARG 1 HT1 ARG 1 2.509 15.629 -2.584 4 HA ARG 1 HA ARG 1 2.144 13.477 -2.446 5 1HB ARG 1 HB1 ARG 1 3.921 12.037 -2.352 6 2HB ARG 1 HB2 ARG 1 4.830 13.535 -2.506 7 1HG ARG 1 HG1 ARG 1 4.171 12.106 0.088 8 2HG ARG 1 HG2 ARG 1 5.756 12.186 -0.683 9 1HD ARG 1 HD1 ARG 1 4.349 14.759 -0.097 10 2HD ARG 1 HD2 ARG 1 5.074 13.890 1.252 11 HE ARG 1 HE ARG 1 6.920 14.140 -0.965 12 1HH1 ARG 1 HH21 ARG 1 7.112 14.500 2.169 13 2HH1 ARG 1 HH22 ARG 1 7.711 16.125 2.223 14 1HH2 ARG 1 HH11 ARG 1 6.988 16.784 -1.104 15 2HH2 ARG 1 HH12 ARG 1 7.641 17.418 0.370 16 H GLU 2 HN GLU 2 1.436 11.808 -0.850 17 HA GLU 2 HA GLU 2 1.487 12.750 1.959 18 1HB GLU 2 HB1 GLU 2 -0.646 13.439 0.416 19 2HB GLU 2 HB2 GLU 2 -1.187 11.880 1.043 20 1HG GLU 2 HG1 GLU 2 -1.894 13.591 2.602 21 2HG GLU 2 HG2 GLU 2 -0.574 12.694 3.352 22 H CYS 3 HN CYS 3 2.806 10.550 0.906 23 HA CYS 3 HA CYS 3 1.419 8.380 2.374 24 1HB CYS 3 HB1 CYS 3 2.839 7.749 -0.203 25 2HB CYS 3 HB2 CYS 3 1.634 6.791 0.653 26 H TYR 4 HN TYR 4 4.362 9.162 0.570 27 HA TYR 4 HA TYR 4 6.607 8.515 1.017 28 1HB TYR 4 HB1 TYR 4 6.886 9.446 3.636 29 2HB TYR 4 HB2 TYR 4 7.090 10.398 2.171 30 HD1 TYR 4 HD1 TYR 4 4.559 9.300 4.697 31 HD2 TYR 4 HD2 TYR 4 5.542 12.133 1.622 32 HE1 TYR 4 HE1 TYR 4 2.582 10.662 5.321 33 HE2 TYR 4 HE2 TYR 4 3.562 13.496 2.245 34 HH TYR 4 HH TYR 4 1.886 13.093 5.114 35 H LEU 5 HN LEU 5 7.805 7.945 3.561 36 HA LEU 5 HA LEU 5 8.224 6.108 4.942 37 1HB LEU 5 HB1 LEU 5 5.273 6.010 4.627 38 2HB LEU 5 HB2 LEU 5 6.088 4.696 5.449 39 HG LEU 5 HG LEU 5 6.473 7.620 6.158 40 1HD1 LEU 5 HD11 LEU 5 4.090 6.422 6.446 41 2HD1 LEU 5 HD13 LEU 5 4.877 5.788 7.892 42 3HD1 LEU 5 HD12 LEU 5 4.727 7.531 7.661 43 1HD2 LEU 5 HD23 LEU 5 8.231 5.924 6.807 44 2HD2 LEU 5 HD21 LEU 5 7.484 6.750 8.173 45 3HD2 LEU 5 HD22 LEU 5 6.998 5.105 7.766 46 H ASN 6 HN ASN 6 9.480 5.280 3.033 47 HA ASN 6 HA ASN 6 8.090 2.915 1.854 48 1HB ASN 6 HB1 ASN 6 8.558 4.624 0.147 49 2HB ASN 6 HB2 ASN 6 10.265 4.607 0.592 50 1HD2 ASN 6 HD22 ASN 6 8.806 1.741 -1.884 51 2HD2 ASN 6 HD21 ASN 6 7.842 3.024 -1.333 52 HA PRO 7 HA PRO 7 11.785 1.359 4.146 53 1HB PRO 7 HB1 PRO 7 10.355 -0.395 5.720 54 2HB PRO 7 HB2 PRO 7 10.719 1.270 6.208 55 1HG PRO 7 HG1 PRO 7 8.145 0.090 5.234 56 2HG PRO 7 HG2 PRO 7 8.405 1.468 6.315 57 1HD PRO 7 HD1 PRO 7 7.748 1.608 3.560 58 2HD PRO 7 HD2 PRO 7 8.351 2.948 4.557 59 H HIS 8 HN HIS 8 8.900 0.050 2.731 60 HA HIS 8 HA HIS 8 10.270 -1.688 0.939 61 1HB HIS 8 HB1 HIS 8 10.042 -3.800 1.862 62 2HB HIS 8 HB2 HIS 8 10.206 -2.884 3.355 63 HD1 HIS 8 HD1 HIS 8 7.770 -4.867 1.361 64 HD2 HIS 8 HD2 HIS 8 7.708 -2.472 4.774 65 HE1 HIS 8 HE1 HIS 8 5.533 -5.276 2.479 66 H ASP 9 HN ASP 9 8.276 0.385 1.035 67 HA ASP 9 HA ASP 9 6.428 -0.559 -0.887 68 1HB ASP 9 HB1 ASP 9 4.352 -0.443 0.661 69 2HB ASP 9 HB2 ASP 9 5.329 -1.910 0.720 70 H THR 10 HN THR 10 4.235 0.986 -0.545 71 HA THR 10 HA THR 10 3.421 3.181 -0.521 72 HB THR 10 HB THR 10 5.844 4.405 0.633 73 HG1 THR 10 HG1 THR 10 4.790 3.244 2.676 74 1HG2 THR 10 HG21 THR 10 2.912 4.547 0.772 75 2HG2 THR 10 HG23 THR 10 3.713 4.770 2.328 76 3HG2 THR 10 HG22 THR 10 4.115 5.823 0.971 77 H GLN 11 HN GLN 11 4.016 5.388 -1.505 78 HA GLN 11 HA GLN 11 6.373 5.506 -3.156 79 1HB GLN 11 HB1 GLN 11 5.453 5.176 -5.298 80 2HB GLN 11 HB2 GLN 11 4.740 3.884 -4.335 81 1HG GLN 11 HG1 GLN 11 2.742 5.369 -3.952 82 2HG GLN 11 HG2 GLN 11 3.449 6.526 -5.081 83 1HE2 GLN 11 HE22 GLN 11 2.151 4.807 -7.857 84 2HE2 GLN 11 HE21 GLN 11 2.684 6.269 -7.180 85 H THR 12 HN THR 12 4.315 7.132 -1.336 86 HA THR 12 HA THR 12 3.703 9.392 -1.176 87 HB THR 12 HB THR 12 5.305 10.906 -1.937 88 HG1 THR 12 HG1 THR 12 6.555 10.448 -3.830 89 1HG2 THR 12 HG21 THR 12 6.169 8.566 -0.852 90 2HG2 THR 12 HG23 THR 12 7.142 8.636 -2.321 91 3HG2 THR 12 HG22 THR 12 7.209 9.957 -1.154 92 H CYS 13 HN CYS 13 2.404 10.980 -2.225 93 HA CYS 13 HA CYS 13 1.592 10.356 -5.028 94 1HB CYS 13 HB1 CYS 13 -0.132 9.348 -3.689 95 2HB CYS 13 HB2 CYS 13 -0.207 10.750 -2.621 96 HA PRO 14 HA PRO 14 2.452 14.841 -4.258 97 1HB PRO 14 HB1 PRO 14 4.282 15.080 -6.304 98 2HB PRO 14 HB2 PRO 14 4.710 14.652 -4.639 99 1HG PRO 14 HG1 PRO 14 4.542 12.912 -7.070 100 2HG PRO 14 HG2 PRO 14 5.552 12.726 -5.626 101 1HD PRO 14 HD1 PRO 14 3.159 11.314 -6.184 102 2HD PRO 14 HD2 PRO 14 3.975 11.394 -4.608 103 H SER 15 HN SER 15 1.361 12.878 -6.862 104 HA SER 15 HA SER 15 0.017 15.247 -8.064 105 1HB SER 15 HB1 SER 15 1.409 13.076 -9.662 106 2HB SER 15 HB2 SER 15 0.526 14.447 -10.325 107 HG SER 15 HG SER 15 2.117 15.748 -9.867 108 H GLY 16 HN GLY 16 -2.141 14.837 -8.166 109 1HA GLY 16 HA1 GLY 16 -3.834 13.238 -9.190 110 2HA GLY 16 HA2 GLY 16 -3.000 11.972 -8.290 111 H GLN 17 HN GLN 17 -4.742 11.401 -6.952 112 HA GLN 17 HA GLN 17 -6.367 13.341 -5.561 113 1HB GLN 17 HB1 GLN 17 -5.880 10.409 -4.939 114 2HB GLN 17 HB2 GLN 17 -7.183 11.395 -4.277 115 1HG GLN 17 HG1 GLN 17 -7.101 11.598 -7.172 116 2HG GLN 17 HG2 GLN 17 -7.239 9.914 -6.664 117 1HE2 GLN 17 HE22 GLN 17 -10.726 10.989 -6.710 118 2HE2 GLN 17 HE21 GLN 17 -9.512 10.472 -7.778 119 H GLU 18 HN GLU 18 -6.260 12.213 -2.890 120 HA GLU 18 HA GLU 18 -3.527 13.061 -2.028 121 1HB GLU 18 HB1 GLU 18 -4.469 14.346 -0.218 122 2HB GLU 18 HB2 GLU 18 -5.283 14.857 -1.697 123 1HG GLU 18 HG1 GLU 18 -7.262 14.290 -0.784 124 2HG GLU 18 HG2 GLU 18 -6.712 12.619 -0.651 125 H ILE 19 HN ILE 19 -5.599 10.542 -2.154 126 HA ILE 19 HA ILE 19 -5.018 9.568 0.602 127 HB ILE 19 HB ILE 19 -6.695 8.182 -1.476 128 1HG1 ILE 19 HG11 ILE 19 -7.190 10.771 -0.433 129 2HG1 ILE 19 HG12 ILE 19 -8.309 9.760 -1.337 130 1HG2 ILE 19 HG21 ILE 19 -6.564 8.136 1.551 131 2HG2 ILE 19 HG22 ILE 19 -7.828 7.330 0.618 132 3HG2 ILE 19 HG23 ILE 19 -6.144 6.831 0.440 133 1HD1 ILE 19 HD11 ILE 19 -7.950 9.721 1.677 134 2HD1 ILE 19 HD12 ILE 19 -9.289 10.477 0.814 135 3HD1 ILE 19 HD13 ILE 19 -9.085 8.726 0.765 136 H CYS 20 HN CYS 20 -4.205 7.400 0.817 137 HA CYS 20 HA CYS 20 -2.640 6.466 -1.553 138 1HB CYS 20 HB1 CYS 20 -1.615 6.130 1.263 139 2HB CYS 20 HB2 CYS 20 -0.719 6.046 -0.250 140 H TYR 21 HN TYR 21 -3.053 4.361 -2.044 141 HA TYR 21 HA TYR 21 -4.516 2.769 0.010 142 1HB TYR 21 HB1 TYR 21 -5.403 1.461 -1.737 143 2HB TYR 21 HB2 TYR 21 -5.368 3.074 -2.448 144 HD1 TYR 21 HD2 TYR 21 -3.471 -0.123 -2.190 145 HD2 TYR 21 HD1 TYR 21 -4.061 3.527 -4.369 146 HE1 TYR 21 HE2 TYR 21 -1.964 -0.943 -3.979 147 HE2 TYR 21 HE1 TYR 21 -2.553 2.705 -6.158 148 HH TYR 21 HH TYR 21 -1.126 1.101 -6.758 149 H VAL 22 HN VAL 22 -3.653 0.695 0.598 150 HA VAL 22 HA VAL 22 -0.788 0.413 -0.172 151 HB VAL 22 HB VAL 22 -0.328 -0.481 2.002 152 1HG1 VAL 22 HG12 VAL 22 -0.882 2.069 1.701 153 2HG1 VAL 22 HG11 VAL 22 -2.318 1.682 2.650 154 3HG1 VAL 22 HG13 VAL 22 -0.715 1.414 3.329 155 1HG2 VAL 22 HG22 VAL 22 -3.267 -0.877 2.022 156 2HG2 VAL 22 HG21 VAL 22 -1.988 -1.885 2.701 157 3HG2 VAL 22 HG23 VAL 22 -2.530 -0.446 3.566 158 H LYS 23 HN LYS 23 -0.602 -1.198 -1.647 159 HA LYS 23 HA LYS 23 -2.313 -3.625 -1.300 160 1HB LYS 23 HB1 LYS 23 -2.581 -2.631 -3.496 161 2HB LYS 23 HB2 LYS 23 -0.833 -2.543 -3.718 162 1HG LYS 23 HG1 LYS 23 -0.928 -5.138 -3.337 163 2HG LYS 23 HG2 LYS 23 -2.630 -4.952 -3.753 164 1HD LYS 23 HD1 LYS 23 -0.520 -3.709 -5.497 165 2HD LYS 23 HD2 LYS 23 -0.891 -5.427 -5.658 166 1HE LYS 23 HE1 LYS 23 -3.347 -4.724 -5.841 167 2HE LYS 23 HE2 LYS 23 -2.757 -3.074 -6.033 168 1HZ LYS 23 HZ1 LYS 23 -1.974 -5.377 -7.735 169 2HZ LYS 23 HZ2 LYS 23 -3.101 -4.181 -8.165 170 3HZ LYS 23 HZ3 LYS 23 -1.470 -3.771 -7.934 171 H SER 24 HN SER 24 -1.295 -5.507 -0.717 172 HA SER 24 HA SER 24 1.661 -5.621 -1.065 173 1HB SER 24 HB1 SER 24 1.699 -5.147 1.181 174 2HB SER 24 HB2 SER 24 0.083 -5.790 1.454 175 HG SER 24 HG SER 24 0.849 -7.749 1.692 176 H TRP 25 HN TRP 25 2.204 -7.451 -2.124 177 HA TRP 25 HA TRP 25 0.612 -9.920 -1.571 178 1HB TRP 25 HB1 TRP 25 0.669 -10.483 -3.989 179 2HB TRP 25 HB2 TRP 25 -0.243 -9.007 -3.673 180 HD1 TRP 25 HD1 TRP 25 2.643 -10.282 -5.648 181 HE1 TRP 25 HE1 TRP 25 3.794 -8.295 -6.840 182 HE3 TRP 25 HE3 TRP 25 0.429 -6.473 -3.187 183 HZ2 TRP 25 HZ2 TRP 25 3.757 -5.404 -6.715 184 HZ3 TRP 25 HZ3 TRP 25 0.979 -4.159 -3.677 185 HH2 TRP 25 HH2 TRP 25 2.638 -3.575 -5.445 186 H CYS 26 HN CYS 26 1.896 -11.644 -1.193 187 HA CYS 26 HA CYS 26 4.794 -11.429 -1.903 188 1HB CYS 26 HB1 CYS 26 4.754 -11.496 0.436 189 2HB CYS 26 HB2 CYS 26 3.317 -12.509 0.483 190 H ASN 27 HN ASN 27 5.809 -13.679 -2.254 191 HA ASN 27 HA ASN 27 3.950 -15.275 -3.942 192 1HB ASN 27 HB1 ASN 27 6.374 -14.352 -4.594 193 2HB ASN 27 HB2 ASN 27 6.884 -15.846 -3.806 194 1HD2 ASN 27 HD22 ASN 27 4.769 -16.037 -7.322 195 2HD2 ASN 27 HD21 ASN 27 4.773 -14.597 -6.425 196 H ALA 28 HN ALA 28 6.057 -17.546 -3.568 197 HA ALA 28 HA ALA 28 4.768 -18.602 -1.115 198 1HB ALA 28 HB1 ALA 28 6.081 -19.935 -3.472 199 2HB ALA 28 HB3 ALA 28 5.719 -20.819 -1.990 200 3HB ALA 28 HB2 ALA 28 4.411 -20.091 -2.924 201 H TRP 29 HN TRP 29 7.656 -17.274 -2.083 202 HA TRP 29 HA TRP 29 8.968 -18.295 0.361 203 1HB TRP 29 HB1 TRP 29 10.120 -18.466 -2.410 204 2HB TRP 29 HB2 TRP 29 11.071 -18.621 -0.961 205 HD1 TRP 29 HD1 TRP 29 7.835 -20.264 -2.391 206 HE1 TRP 29 HE1 TRP 29 7.921 -22.766 -1.748 207 HE3 TRP 29 HE3 TRP 29 12.159 -20.295 0.204 208 HZ2 TRP 29 HZ2 TRP 29 9.651 -24.557 -0.292 209 HZ3 TRP 29 HZ3 TRP 29 13.047 -22.392 1.231 210 HH2 TRP 29 HH2 TRP 29 11.789 -24.522 0.978 211 H CYS 30 HN CYS 30 7.834 -15.657 -0.561 212 HA CYS 30 HA CYS 30 10.015 -13.897 -1.190 213 1HB CYS 30 HB1 CYS 30 8.542 -12.084 -0.716 214 2HB CYS 30 HB2 CYS 30 7.570 -13.348 -1.468 215 H SER 31 HN SER 31 9.754 -15.677 1.571 216 HA SER 31 HA SER 31 9.986 -14.105 3.804 217 1HB SER 31 HB1 SER 31 10.502 -16.660 3.447 218 2HB SER 31 HB2 SER 31 12.169 -16.112 3.299 219 HG SER 31 HG SER 31 10.791 -16.478 5.513 220 H SER 32 HN SER 32 10.757 -12.021 3.361 221 HA SER 32 HA SER 32 12.312 -10.352 2.801 222 1HB SER 32 HB1 SER 32 14.242 -12.254 4.122 223 2HB SER 32 HB2 SER 32 14.364 -10.501 4.029 224 HG SER 32 HG SER 32 12.154 -11.754 5.244 225 H ARG 33 HN ARG 33 11.937 -11.277 0.605 226 HA ARG 33 HA ARG 33 14.589 -11.970 -0.582 227 1HB ARG 33 HB1 ARG 33 13.274 -14.033 -0.524 228 2HB ARG 33 HB2 ARG 33 11.923 -13.222 -1.314 229 1HG ARG 33 HG1 ARG 33 12.843 -13.569 -3.345 230 2HG ARG 33 HG2 ARG 33 14.357 -12.824 -2.830 231 1HD ARG 33 HD1 ARG 33 14.340 -15.288 -1.523 232 2HD ARG 33 HD2 ARG 33 13.686 -15.652 -3.119 233 HE ARG 33 HE ARG 33 15.801 -15.132 -4.059 234 1HH1 ARG 33 HH21 ARG 33 17.173 -13.007 -3.692 235 2HH1 ARG 33 HH22 ARG 33 18.135 -13.114 -2.256 236 1HH2 ARG 33 HH11 ARG 33 16.342 -15.772 -0.935 237 2HH2 ARG 33 HH12 ARG 33 17.664 -14.680 -0.695 238 H GLY 34 HN GLY 34 11.618 -11.793 -2.436 239 1HA GLY 34 HA1 GLY 34 12.477 -9.106 -3.430 240 2HA GLY 34 HA2 GLY 34 11.919 -10.371 -4.527 241 H LYS 35 HN LYS 35 10.553 -9.629 -1.345 242 HA LYS 35 HA LYS 35 7.873 -9.777 -2.035 243 1HB LYS 35 HB1 LYS 35 9.408 -8.520 0.112 244 2HB LYS 35 HB2 LYS 35 7.908 -7.660 -0.234 245 1HG LYS 35 HG1 LYS 35 6.643 -9.328 0.631 246 2HG LYS 35 HG2 LYS 35 7.565 -10.569 -0.220 247 1HD LYS 35 HD1 LYS 35 7.854 -10.889 2.175 248 2HD LYS 35 HD2 LYS 35 9.378 -10.310 1.498 249 1HE LYS 35 HE1 LYS 35 8.181 -7.943 2.086 250 2HE LYS 35 HE2 LYS 35 7.489 -8.962 3.348 251 1HZ LYS 35 HZ1 LYS 35 10.152 -9.634 3.241 252 2HZ LYS 35 HZ2 LYS 35 10.128 -7.939 3.114 253 3HZ LYS 35 HZ3 LYS 35 9.387 -8.705 4.436 254 H VAL 36 HN VAL 36 6.488 -8.549 -3.240 255 HA VAL 36 HA VAL 36 7.520 -5.936 -4.263 256 HB VAL 36 HB VAL 36 5.143 -7.007 -5.598 257 1HG1 VAL 36 HG12 VAL 36 7.858 -5.945 -6.316 258 2HG1 VAL 36 HG11 VAL 36 6.900 -6.769 -7.546 259 3HG1 VAL 36 HG13 VAL 36 6.266 -5.325 -6.757 260 1HG2 VAL 36 HG22 VAL 36 7.662 -8.685 -5.462 261 2HG2 VAL 36 HG21 VAL 36 6.000 -9.197 -5.160 262 3HG2 VAL 36 HG23 VAL 36 6.519 -8.805 -6.800 263 H LEU 37 HN LEU 37 6.723 -5.193 -2.034 264 HA LEU 37 HA LEU 37 3.774 -4.820 -2.042 265 1HB LEU 37 HB1 LEU 37 5.853 -5.101 0.106 266 2HB LEU 37 HB2 LEU 37 4.324 -4.307 0.450 267 HG LEU 37 HG LEU 37 3.082 -6.260 -0.066 268 1HD1 LEU 37 HD12 LEU 37 5.624 -7.184 -1.393 269 2HD1 LEU 37 HD11 LEU 37 4.357 -8.328 -0.952 270 3HD1 LEU 37 HD13 LEU 37 4.014 -7.032 -2.095 271 1HD2 LEU 37 HD23 LEU 37 5.616 -6.902 1.423 272 2HD2 LEU 37 HD22 LEU 37 4.019 -6.555 2.085 273 3HD2 LEU 37 HD21 LEU 37 4.317 -8.082 1.254 274 H GLU 38 HN GLU 38 3.206 -2.784 -2.676 275 HA GLU 38 HA GLU 38 4.707 -0.482 -1.541 276 1HB GLU 38 HB1 GLU 38 4.076 0.500 -4.014 277 2HB GLU 38 HB2 GLU 38 5.671 -0.085 -3.545 278 1HG GLU 38 HG1 GLU 38 4.911 -2.398 -4.306 279 2HG GLU 38 HG2 GLU 38 3.493 -1.610 -5.001 280 H PHE 39 HN PHE 39 3.404 1.579 -2.002 281 HA PHE 39 HA PHE 39 0.498 1.022 -2.087 282 1HB PHE 39 HB1 PHE 39 1.621 3.119 -0.239 283 2HB PHE 39 HB2 PHE 39 0.061 2.311 -0.163 284 HD1 PHE 39 HD2 PHE 39 0.744 -0.525 -0.412 285 HD2 PHE 39 HD1 PHE 39 2.754 2.597 1.751 286 HE1 PHE 39 HE2 PHE 39 1.685 -2.211 1.139 287 HE2 PHE 39 HE1 PHE 39 3.694 0.906 3.308 288 HZ PHE 39 HZ PHE 39 3.160 -1.500 3.000 289 H GLY 40 HN GLY 40 -0.661 2.595 -3.279 290 1HA GLY 40 HA1 GLY 40 1.056 4.742 -4.457 291 2HA GLY 40 HA2 GLY 40 -0.246 3.949 -5.338 292 H CYS 41 HN CYS 41 -1.253 5.981 -5.740 293 HA CYS 41 HA CYS 41 -2.249 7.502 -3.405 294 1HB CYS 41 HB1 CYS 41 -1.186 8.498 -5.573 295 2HB CYS 41 HB2 CYS 41 -2.755 8.193 -6.288 296 H ALA 42 HN ALA 42 -4.584 8.348 -3.987 297 HA ALA 42 HA ALA 42 -6.445 6.827 -5.438 298 1HB ALA 42 HB1 ALA 42 -5.435 5.410 -3.164 299 2HB ALA 42 HB3 ALA 42 -7.127 5.808 -2.867 300 3HB ALA 42 HB2 ALA 42 -6.676 4.898 -4.309 301 H ALA 43 HN ALA 43 -8.701 6.920 -4.213 302 HA ALA 43 HA ALA 43 -8.918 9.662 -3.091 303 1HB ALA 43 HB3 ALA 43 -10.301 8.327 -5.211 304 2HB ALA 43 HB2 ALA 43 -11.456 8.672 -3.923 305 3HB ALA 43 HB1 ALA 43 -10.516 9.981 -4.639 306 H THR 44 HN THR 44 -10.243 6.354 -2.824 307 HA THR 44 HA THR 44 -10.674 6.873 0.063 308 HB THR 44 HB THR 44 -12.827 7.334 -1.153 309 HG1 THR 44 HG1 THR 44 -13.225 4.968 0.261 310 1HG2 THR 44 HG22 THR 44 -12.328 5.549 -2.915 311 2HG2 THR 44 HG21 THR 44 -12.849 4.366 -1.714 312 3HG2 THR 44 HG23 THR 44 -13.978 5.589 -2.295 313 H CYS 45 HN CYS 45 -10.482 5.018 1.323 314 HA CYS 45 HA CYS 45 -8.797 3.024 0.780 315 1HB CYS 45 HB1 CYS 45 -9.992 3.482 2.940 316 2HB CYS 45 HB2 CYS 45 -11.358 2.575 2.302 317 HA PRO 46 HA PRO 46 -10.969 0.626 -2.327 318 1HB PRO 46 HB1 PRO 46 -8.862 -1.071 -2.859 319 2HB PRO 46 HB2 PRO 46 -9.009 0.561 -3.530 320 1HG PRO 46 HG1 PRO 46 -7.151 -0.449 -1.464 321 2HG PRO 46 HG2 PRO 46 -7.058 1.034 -2.419 322 1HD PRO 46 HD1 PRO 46 -7.945 0.716 0.320 323 2HD PRO 46 HD2 PRO 46 -7.805 2.217 -0.619 324 H SER 47 HN SER 47 -12.159 -1.292 -2.192 325 HA SER 47 HA SER 47 -11.543 -3.063 0.137 326 1HB SER 47 HB1 SER 47 -14.069 -3.740 -0.434 327 2HB SER 47 HB2 SER 47 -13.692 -2.359 0.593 328 HG SER 47 HG SER 47 -15.105 -1.686 -0.992 329 H VAL 48 HN VAL 48 -10.072 -3.564 -2.142 330 HA VAL 48 HA VAL 48 -11.461 -5.880 -3.402 331 HB VAL 48 HB VAL 48 -9.053 -4.409 -4.394 332 1HG1 VAL 48 HG11 VAL 48 -10.824 -6.560 -5.549 333 2HG1 VAL 48 HG13 VAL 48 -9.742 -5.586 -6.547 334 3HG1 VAL 48 HG12 VAL 48 -9.081 -6.625 -5.283 335 1HG2 VAL 48 HG23 VAL 48 -11.247 -3.093 -4.305 336 2HG2 VAL 48 HG22 VAL 48 -10.482 -3.219 -5.890 337 3HG2 VAL 48 HG21 VAL 48 -11.858 -4.247 -5.490 338 H ASN 49 HN ASN 49 -10.852 -7.082 -1.369 339 HA ASN 49 HA ASN 49 -8.008 -7.621 -1.018 340 1HB ASN 49 HB1 ASN 49 -9.581 -7.412 0.926 341 2HB ASN 49 HB2 ASN 49 -10.360 -8.900 0.387 342 1HD2 ASN 49 HD22 ASN 49 -6.667 -9.064 2.155 343 2HD2 ASN 49 HD21 ASN 49 -7.303 -7.571 1.659 344 H THR 50 HN THR 50 -9.445 -8.465 -3.517 345 HA THR 50 HA THR 50 -9.823 -11.317 -3.448 346 HB THR 50 HB THR 50 -10.739 -9.899 -5.253 347 HG1 THR 50 HG1 THR 50 -10.312 -12.084 -5.695 348 1HG2 THR 50 HG22 THR 50 -8.466 -8.534 -5.228 349 2HG2 THR 50 HG21 THR 50 -8.020 -9.688 -6.485 350 3HG2 THR 50 HG23 THR 50 -9.430 -8.652 -6.699 351 H GLY 51 HN GLY 51 -7.965 -12.181 -2.363 352 1HA GLY 51 HA1 GLY 51 -5.790 -13.064 -2.257 353 2HA GLY 51 HA2 GLY 51 -5.825 -13.026 -4.021 354 H THR 52 HN THR 52 -6.374 -10.023 -2.452 355 HA THR 52 HA THR 52 -3.514 -9.244 -2.831 356 HB THR 52 HB THR 52 -6.006 -7.812 -3.785 357 HG1 THR 52 HG1 THR 52 -4.297 -7.777 -5.631 358 1HG2 THR 52 HG21 THR 52 -3.396 -6.749 -2.930 359 2HG2 THR 52 HG23 THR 52 -3.894 -6.238 -4.543 360 3HG2 THR 52 HG22 THR 52 -4.933 -5.915 -3.156 361 H GLU 53 HN GLU 53 -2.699 -8.109 -1.092 362 HA GLU 53 HA GLU 53 -4.501 -7.625 1.173 363 1HB GLU 53 HB1 GLU 53 -1.571 -6.904 1.013 364 2HB GLU 53 HB2 GLU 53 -2.529 -7.249 2.453 365 1HG GLU 53 HG1 GLU 53 -2.083 -9.296 0.270 366 2HG GLU 53 HG2 GLU 53 -0.995 -9.132 1.648 367 H ILE 54 HN ILE 54 -5.781 -5.892 0.097 368 HA ILE 54 HA ILE 54 -4.282 -3.344 -0.216 369 HB ILE 54 HB ILE 54 -6.299 -4.471 -1.765 370 1HG1 ILE 54 HG11 ILE 54 -5.613 -1.534 -1.631 371 2HG1 ILE 54 HG12 ILE 54 -4.538 -2.750 -2.321 372 1HG2 ILE 54 HG21 ILE 54 -7.792 -3.453 0.227 373 2HG2 ILE 54 HG22 ILE 54 -7.601 -2.006 -0.761 374 3HG2 ILE 54 HG23 ILE 54 -8.319 -3.457 -1.453 375 1HD1 ILE 54 HD11 ILE 54 -6.771 -3.409 -3.645 376 2HD1 ILE 54 HD12 ILE 54 -7.138 -1.709 -3.354 377 3HD1 ILE 54 HD13 ILE 54 -5.678 -2.157 -4.236 378 H LYS 55 HN LYS 55 -4.964 -1.462 0.952 379 HA LYS 55 HA LYS 55 -7.053 -1.713 2.983 380 1HB LYS 55 HB1 LYS 55 -4.144 -1.889 3.658 381 2HB LYS 55 HB2 LYS 55 -5.202 -0.993 4.748 382 1HG LYS 55 HG1 LYS 55 -6.745 -3.095 4.558 383 2HG LYS 55 HG2 LYS 55 -5.285 -3.905 3.991 384 1HD LYS 55 HD1 LYS 55 -4.570 -2.369 6.281 385 2HD LYS 55 HD2 LYS 55 -6.036 -3.262 6.686 386 1HE LYS 55 HE1 LYS 55 -4.662 -5.023 7.064 387 2HE LYS 55 HE2 LYS 55 -4.524 -5.133 5.309 388 1HZ LYS 55 HZ1 LYS 55 -2.774 -3.433 6.997 389 2HZ LYS 55 HZ2 LYS 55 -2.368 -5.006 6.502 390 3HZ LYS 55 HZ3 LYS 55 -2.587 -3.779 5.348 391 H CYS 56 HN CYS 56 -6.575 0.396 4.558 392 HA CYS 56 HA CYS 56 -6.458 2.653 2.617 393 1HB CYS 56 HB1 CYS 56 -7.312 3.240 5.380 394 2HB CYS 56 HB2 CYS 56 -8.076 3.675 3.855 395 H CYS 57 HN CYS 57 -4.952 4.300 2.884 396 HA CYS 57 HA CYS 57 -3.410 4.533 5.359 397 1HB CYS 57 HB1 CYS 57 -2.226 2.667 4.352 398 2HB CYS 57 HB2 CYS 57 -2.116 3.525 2.816 399 H SER 58 HN SER 58 -2.627 6.593 5.543 400 HA SER 58 HA SER 58 -2.336 8.182 3.062 401 1HB SER 58 HB1 SER 58 -3.524 10.083 4.049 402 2HB SER 58 HB2 SER 58 -4.581 8.676 4.008 403 HG SER 58 HG SER 58 -4.798 9.135 6.049 404 H ALA 59 HN ALA 59 -0.914 7.046 5.756 405 HA ALA 59 HA ALA 59 1.265 8.964 5.558 406 1HB ALA 59 HB2 ALA 59 -0.550 9.003 7.977 407 2HB ALA 59 HB1 ALA 59 1.103 9.617 8.020 408 3HB ALA 59 HB3 ALA 59 -0.087 10.360 6.950 409 H ASP 60 HN ASP 60 1.063 7.857 8.726 410 HA ASP 60 HA ASP 60 2.848 5.578 8.089 411 1HB ASP 60 HB1 ASP 60 3.626 7.251 9.777 412 2HB ASP 60 HB2 ASP 60 2.210 6.879 10.761 413 H LYS 61 HN LYS 61 0.039 5.512 7.570 414 HA LYS 61 HA LYS 61 -0.955 3.630 9.630 415 1HB LYS 61 HB1 LYS 61 -2.541 5.373 9.344 416 2HB LYS 61 HB2 LYS 61 -2.345 5.364 7.592 417 1HG LYS 61 HG1 LYS 61 -3.449 3.224 7.413 418 2HG LYS 61 HG2 LYS 61 -3.460 3.025 9.166 419 1HD LYS 61 HD1 LYS 61 -4.684 5.537 8.547 420 2HD LYS 61 HD2 LYS 61 -5.418 4.304 7.522 421 1HE LYS 61 HE1 LYS 61 -5.525 2.898 9.724 422 2HE LYS 61 HE2 LYS 61 -5.323 4.455 10.528 423 1HZ LYS 61 HZ2 LYS 61 -7.224 4.859 8.576 424 2HZ LYS 61 HZ3 LYS 61 -7.631 3.370 9.286 425 3HZ LYS 61 HZ1 LYS 61 -7.487 4.757 10.252 426 H CYS 62 HN CYS 62 0.583 3.661 6.706 427 HA CYS 62 HA CYS 62 -0.808 1.783 5.122 428 1HB CYS 62 HB1 CYS 62 2.113 2.452 5.426 429 2HB CYS 62 HB2 CYS 62 1.588 1.174 4.330 430 H ASN 63 HN ASN 63 0.829 1.355 8.120 431 HA ASN 63 HA ASN 63 0.890 -1.592 7.728 432 1HB ASN 63 HB1 ASN 63 2.191 -1.513 9.931 433 2HB ASN 63 HB2 ASN 63 2.997 -0.810 8.529 434 1HD2 ASN 63 HD22 ASN 63 2.042 1.539 11.694 435 2HD2 ASN 63 HD21 ASN 63 1.718 -0.127 11.696 436 H THR 64 HN THR 64 -1.427 -1.836 7.994 437 HA THR 64 HA THR 64 -2.254 -1.660 10.856 438 HB THR 64 HB THR 64 -4.541 -1.249 9.202 439 HG1 THR 64 HG1 THR 64 -3.035 -0.399 7.702 440 1HG2 THR 64 HG22 THR 64 -3.944 -0.627 11.633 441 2HG2 THR 64 HG21 THR 64 -3.139 0.778 10.932 442 3HG2 THR 64 HG23 THR 64 -4.871 0.545 10.698 443 H TYR 65 HN TYR 65 -1.727 -4.005 10.762 444 HA TYR 65 HA TYR 65 -2.756 -5.874 9.041 445 1HB TYR 65 HB1 TYR 65 -1.254 -6.216 11.116 446 2HB TYR 65 HB2 TYR 65 -2.768 -6.419 11.995 447 HD1 TYR 65 HD1 TYR 65 -0.717 -7.741 9.194 448 HD2 TYR 65 HD2 TYR 65 -4.091 -8.396 11.776 449 HE1 TYR 65 HE1 TYR 65 -0.882 -10.081 8.386 450 HE2 TYR 65 HE2 TYR 65 -4.255 -10.736 10.967 451 HH TYR 65 HH TYR 65 -1.844 -12.085 8.741 452 HA PRO 66 HA PRO 66 -6.859 -5.986 11.480 453 1HB PRO 66 HB1 PRO 66 -7.310 -3.953 13.279 454 2HB PRO 66 HB2 PRO 66 -6.560 -5.500 13.709 455 1HG PRO 66 HG1 PRO 66 -5.309 -2.808 13.371 456 2HG PRO 66 HG2 PRO 66 -4.770 -4.177 14.357 457 1HD PRO 66 HD1 PRO 66 -3.741 -3.395 11.824 458 2HD PRO 66 HD2 PRO 66 -3.384 -4.905 12.680 No H/Q in entry = 458 Start of MODEL 22 1 1H ARG 1 HT2 ARG 1 2.147 15.239 -0.556 2 2H ARG 1 HT3 ARG 1 2.946 14.971 -2.031 3 3H ARG 1 HT1 ARG 1 1.594 14.033 -1.619 4 HA ARG 1 HA ARG 1 3.484 12.684 -1.241 5 1HB ARG 1 HB1 ARG 1 4.574 15.251 -0.308 6 2HB ARG 1 HB2 ARG 1 4.994 13.882 0.723 7 1HG ARG 1 HG1 ARG 1 6.199 12.823 -0.948 8 2HG ARG 1 HG2 ARG 1 5.223 13.526 -2.238 9 1HD ARG 1 HD1 ARG 1 7.438 14.543 -2.278 10 2HD ARG 1 HD2 ARG 1 6.266 15.749 -1.745 11 HE ARG 1 HE ARG 1 8.039 14.263 0.155 12 1HH1 ARG 1 HH21 ARG 1 7.097 15.380 2.185 13 2HH1 ARG 1 HH22 ARG 1 7.258 17.104 2.137 14 1HH2 ARG 1 HH11 ARG 1 7.920 17.213 -1.265 15 2HH2 ARG 1 HH12 ARG 1 7.724 18.142 0.184 16 H GLU 2 HN GLU 2 1.883 11.452 -0.184 17 HA GLU 2 HA GLU 2 1.739 11.917 2.756 18 1HB GLU 2 HB1 GLU 2 -0.493 11.735 0.806 19 2HB GLU 2 HB2 GLU 2 -0.699 10.813 2.297 20 1HG GLU 2 HG1 GLU 2 0.328 13.277 3.136 21 2HG GLU 2 HG2 GLU 2 -0.830 13.694 1.872 22 H CYS 3 HN CYS 3 3.421 10.229 1.317 23 HA CYS 3 HA CYS 3 2.820 7.658 2.591 24 1HB CYS 3 HB1 CYS 3 3.425 7.559 -0.355 25 2HB CYS 3 HB2 CYS 3 2.730 6.301 0.663 26 H TYR 4 HN TYR 4 4.829 9.545 0.428 27 HA TYR 4 HA TYR 4 7.127 9.525 0.027 28 1HB TYR 4 HB1 TYR 4 8.360 9.447 2.402 29 2HB TYR 4 HB2 TYR 4 7.454 10.857 1.864 30 HD1 TYR 4 HD2 TYR 4 4.943 10.985 2.499 31 HD2 TYR 4 HD1 TYR 4 7.713 8.290 4.382 32 HE1 TYR 4 HE2 TYR 4 3.395 10.736 4.421 33 HE2 TYR 4 HE1 TYR 4 6.164 8.043 6.304 34 HH TYR 4 HH TYR 4 3.125 9.894 6.465 35 H LEU 5 HN LEU 5 8.218 7.687 2.705 36 HA LEU 5 HA LEU 5 8.229 5.363 1.009 37 1HB LEU 5 HB1 LEU 5 10.778 6.160 2.236 38 2HB LEU 5 HB2 LEU 5 10.476 5.013 0.942 39 HG LEU 5 HG LEU 5 9.700 7.867 0.541 40 1HD1 LEU 5 HD13 LEU 5 12.284 7.226 1.308 41 2HD1 LEU 5 HD12 LEU 5 12.369 7.214 -0.454 42 3HD1 LEU 5 HD11 LEU 5 11.813 8.658 0.392 43 1HD2 LEU 5 HD23 LEU 5 9.762 5.482 -0.983 44 2HD2 LEU 5 HD21 LEU 5 9.335 7.101 -1.542 45 3HD2 LEU 5 HD22 LEU 5 11.004 6.541 -1.653 46 H ASN 6 HN ASN 6 6.659 4.868 2.907 47 HA ASN 6 HA ASN 6 7.733 4.298 5.493 48 1HB ASN 6 HB1 ASN 6 5.664 3.351 5.918 49 2HB ASN 6 HB2 ASN 6 5.235 4.201 4.439 50 1HD2 ASN 6 HD22 ASN 6 5.289 1.136 2.450 51 2HD2 ASN 6 HD21 ASN 6 5.750 2.766 2.335 52 HA PRO 7 HA PRO 7 9.940 0.558 4.701 53 1HB PRO 7 HB1 PRO 7 8.914 -1.288 6.476 54 2HB PRO 7 HB2 PRO 7 9.993 0.039 6.946 55 1HG PRO 7 HG1 PRO 7 7.037 -0.243 7.337 56 2HG PRO 7 HG2 PRO 7 8.215 0.658 8.306 57 1HD PRO 7 HD1 PRO 7 6.432 1.758 6.402 58 2HD PRO 7 HD2 PRO 7 7.834 2.586 7.105 59 H HIS 8 HN HIS 8 8.672 0.495 2.534 60 HA HIS 8 HA HIS 8 7.933 -2.111 1.823 61 1HB HIS 8 HB1 HIS 8 5.829 -0.660 3.240 62 2HB HIS 8 HB2 HIS 8 5.309 -1.198 1.645 63 HD1 HIS 8 HD1 HIS 8 5.942 -3.858 1.158 64 HD2 HIS 8 HD2 HIS 8 5.660 -2.654 5.137 65 HE1 HIS 8 HE1 HIS 8 5.569 -5.960 2.514 66 H ASP 9 HN ASP 9 9.317 -0.212 0.418 67 HA ASP 9 HA ASP 9 9.424 0.600 -1.800 68 1HB ASP 9 HB1 ASP 9 7.166 -1.149 -1.788 69 2HB ASP 9 HB2 ASP 9 6.735 0.296 -2.704 70 H THR 10 HN THR 10 5.975 1.276 -1.231 71 HA THR 10 HA THR 10 4.876 3.284 -0.740 72 HB THR 10 HB THR 10 7.237 5.056 -0.700 73 HG1 THR 10 HG1 THR 10 7.071 2.690 0.845 74 1HG2 THR 10 HG22 THR 10 4.954 5.540 0.195 75 2HG2 THR 10 HG21 THR 10 5.236 4.317 1.434 76 3HG2 THR 10 HG23 THR 10 6.254 5.752 1.364 77 H GLN 11 HN GLN 11 4.842 5.660 -1.695 78 HA GLN 11 HA GLN 11 6.039 6.232 -4.191 79 1HB GLN 11 HB1 GLN 11 4.845 4.405 -5.167 80 2HB GLN 11 HB2 GLN 11 3.369 4.815 -4.293 81 1HG GLN 11 HG1 GLN 11 2.729 6.176 -5.967 82 2HG GLN 11 HG2 GLN 11 4.226 7.097 -5.819 83 1HE2 GLN 11 HE22 GLN 11 3.776 4.462 -8.869 84 2HE2 GLN 11 HE21 GLN 11 2.535 4.737 -7.744 85 H THR 12 HN THR 12 6.059 8.255 -3.042 86 HA THR 12 HA THR 12 4.106 9.674 -1.796 87 HB THR 12 HB THR 12 5.214 11.677 -2.414 88 HG1 THR 12 HG1 THR 12 6.673 11.481 -4.345 89 1HG2 THR 12 HG22 THR 12 6.667 9.376 -1.732 90 2HG2 THR 12 HG21 THR 12 7.612 10.160 -2.997 91 3HG2 THR 12 HG23 THR 12 7.185 11.048 -1.534 92 H CYS 13 HN CYS 13 2.488 11.200 -2.438 93 HA CYS 13 HA CYS 13 1.495 10.920 -5.236 94 1HB CYS 13 HB1 CYS 13 0.073 9.470 -3.946 95 2HB CYS 13 HB2 CYS 13 -0.081 10.668 -2.661 96 HA PRO 14 HA PRO 14 1.780 15.317 -3.807 97 1HB PRO 14 HB1 PRO 14 3.433 16.130 -5.853 98 2HB PRO 14 HB2 PRO 14 4.019 15.521 -4.296 99 1HG PRO 14 HG1 PRO 14 3.961 14.174 -6.966 100 2HG PRO 14 HG2 PRO 14 5.059 13.907 -5.602 101 1HD PRO 14 HD1 PRO 14 2.836 12.288 -6.320 102 2HD PRO 14 HD2 PRO 14 3.741 12.205 -4.793 103 H SER 15 HN SER 15 0.982 13.673 -6.766 104 HA SER 15 HA SER 15 -0.849 15.918 -7.467 105 1HB SER 15 HB1 SER 15 1.108 14.510 -9.291 106 2HB SER 15 HB2 SER 15 -0.301 15.361 -9.915 107 HG SER 15 HG SER 15 1.258 16.709 -8.059 108 H GLY 16 HN GLY 16 -2.641 15.172 -8.901 109 1HA GLY 16 HA1 GLY 16 -4.014 13.411 -9.826 110 2HA GLY 16 HA2 GLY 16 -3.070 12.235 -8.911 111 H GLN 17 HN GLN 17 -3.786 11.665 -6.868 112 HA GLN 17 HA GLN 17 -6.286 13.012 -5.936 113 1HB GLN 17 HB1 GLN 17 -5.261 10.222 -5.323 114 2HB GLN 17 HB2 GLN 17 -6.797 10.901 -4.782 115 1HG GLN 17 HG1 GLN 17 -6.281 11.045 -7.699 116 2HG GLN 17 HG2 GLN 17 -6.533 9.426 -7.047 117 1HE2 GLN 17 HE22 GLN 17 -9.929 10.591 -7.810 118 2HE2 GLN 17 HE21 GLN 17 -8.560 10.024 -8.639 119 H GLU 18 HN GLU 18 -6.181 11.864 -3.300 120 HA GLU 18 HA GLU 18 -3.681 13.020 -2.169 121 1HB GLU 18 HB1 GLU 18 -4.898 14.341 -0.562 122 2HB GLU 18 HB2 GLU 18 -5.545 14.731 -2.157 123 1HG GLU 18 HG1 GLU 18 -7.594 14.062 -1.507 124 2HG GLU 18 HG2 GLU 18 -6.963 12.465 -1.103 125 H ILE 19 HN ILE 19 -5.534 10.365 -2.407 126 HA ILE 19 HA ILE 19 -5.275 9.586 0.460 127 HB ILE 19 HB ILE 19 -6.608 7.999 -1.723 128 1HG1 ILE 19 HG11 ILE 19 -7.364 10.589 -0.982 129 2HG1 ILE 19 HG12 ILE 19 -8.380 9.410 -1.795 130 1HG2 ILE 19 HG21 ILE 19 -6.739 8.065 1.295 131 2HG2 ILE 19 HG22 ILE 19 -7.958 7.242 0.322 132 3HG2 ILE 19 HG23 ILE 19 -6.275 6.720 0.253 133 1HD1 ILE 19 HD12 ILE 19 -8.144 9.700 1.215 134 2HD1 ILE 19 HD13 ILE 19 -9.460 10.355 0.241 135 3HD1 ILE 19 HD11 ILE 19 -9.232 8.611 0.356 136 H CYS 20 HN CYS 20 -4.374 7.496 0.912 137 HA CYS 20 HA CYS 20 -2.437 6.555 -1.168 138 1HB CYS 20 HB1 CYS 20 -1.580 7.864 0.984 139 2HB CYS 20 HB2 CYS 20 -1.802 6.293 1.752 140 H TYR 21 HN TYR 21 -2.971 4.475 -1.736 141 HA TYR 21 HA TYR 21 -4.443 2.865 0.289 142 1HB TYR 21 HB1 TYR 21 -5.276 1.537 -1.464 143 2HB TYR 21 HB2 TYR 21 -5.238 3.144 -2.184 144 HD1 TYR 21 HD2 TYR 21 -3.209 0.016 -1.828 145 HD2 TYR 21 HD1 TYR 21 -4.018 3.535 -4.150 146 HE1 TYR 21 HE2 TYR 21 -1.687 -0.806 -3.605 147 HE2 TYR 21 HE1 TYR 21 -2.496 2.714 -5.929 148 HH TYR 21 HH TYR 21 -1.335 0.932 -6.671 149 H VAL 22 HN VAL 22 -3.671 0.704 0.766 150 HA VAL 22 HA VAL 22 -0.767 0.403 0.149 151 HB VAL 22 HB VAL 22 -0.413 -0.501 2.347 152 1HG1 VAL 22 HG12 VAL 22 -1.044 2.094 1.935 153 2HG1 VAL 22 HG11 VAL 22 -2.307 1.673 3.090 154 3HG1 VAL 22 HG13 VAL 22 -0.612 1.463 3.522 155 1HG2 VAL 22 HG23 VAL 22 -3.416 -0.592 2.397 156 2HG2 VAL 22 HG22 VAL 22 -2.261 -1.864 2.794 157 3HG2 VAL 22 HG21 VAL 22 -2.508 -0.519 3.907 158 H LYS 23 HN LYS 23 -0.659 -1.189 -1.375 159 HA LYS 23 HA LYS 23 -2.464 -3.545 -1.043 160 1HB LYS 23 HB1 LYS 23 -2.569 -2.399 -3.237 161 2HB LYS 23 HB2 LYS 23 -0.839 -2.669 -3.453 162 1HG LYS 23 HG1 LYS 23 -1.157 -4.830 -4.065 163 2HG LYS 23 HG2 LYS 23 -2.312 -5.112 -2.761 164 1HD LYS 23 HD1 LYS 23 -3.942 -5.093 -4.323 165 2HD LYS 23 HD2 LYS 23 -3.621 -3.372 -4.539 166 1HE LYS 23 HE1 LYS 23 -1.720 -4.127 -6.121 167 2HE LYS 23 HE2 LYS 23 -2.513 -5.702 -6.108 168 1HZ LYS 23 HZ2 LYS 23 -4.579 -4.562 -6.785 169 2HZ LYS 23 HZ3 LYS 23 -3.705 -3.115 -6.942 170 3HZ LYS 23 HZ1 LYS 23 -3.340 -4.436 -7.940 171 H SER 24 HN SER 24 -1.563 -5.468 -0.436 172 HA SER 24 HA SER 24 1.397 -5.715 -0.704 173 1HB SER 24 HB1 SER 24 -0.338 -6.105 1.714 174 2HB SER 24 HB2 SER 24 1.123 -7.074 1.537 175 HG SER 24 HG SER 24 0.846 -4.342 1.934 176 H TRP 25 HN TRP 25 1.764 -7.394 -2.057 177 HA TRP 25 HA TRP 25 0.179 -9.899 -1.628 178 1HB TRP 25 HB1 TRP 25 -0.019 -10.190 -4.055 179 2HB TRP 25 HB2 TRP 25 -0.739 -8.650 -3.576 180 HD1 TRP 25 HD1 TRP 25 1.983 -10.093 -5.710 181 HE1 TRP 25 HE1 TRP 25 3.286 -8.160 -6.829 182 HE3 TRP 25 HE3 TRP 25 0.126 -6.226 -3.052 183 HZ2 TRP 25 HZ2 TRP 25 3.499 -5.288 -6.574 184 HZ3 TRP 25 HZ3 TRP 25 0.870 -3.946 -3.447 185 HH2 TRP 25 HH2 TRP 25 2.557 -3.430 -5.208 186 H CYS 26 HN CYS 26 1.357 -11.805 -2.015 187 HA CYS 26 HA CYS 26 4.295 -11.418 -2.346 188 1HB CYS 26 HB1 CYS 26 2.847 -12.904 -0.497 189 2HB CYS 26 HB2 CYS 26 3.379 -14.115 -1.663 190 H ASN 27 HN ASN 27 5.059 -13.864 -3.249 191 HA ASN 27 HA ASN 27 3.647 -14.128 -5.872 192 1HB ASN 27 HB1 ASN 27 6.435 -13.634 -5.249 193 2HB ASN 27 HB2 ASN 27 6.264 -15.147 -6.139 194 1HD2 ASN 27 HD22 ASN 27 5.152 -13.555 -9.135 195 2HD2 ASN 27 HD21 ASN 27 5.229 -15.030 -8.297 196 H ALA 28 HN ALA 28 4.196 -16.419 -6.848 197 HA ALA 28 HA ALA 28 3.277 -18.371 -4.938 198 1HB ALA 28 HB2 ALA 28 3.837 -18.288 -7.814 199 2HB ALA 28 HB1 ALA 28 4.188 -19.847 -7.070 200 3HB ALA 28 HB3 ALA 28 2.571 -19.155 -6.945 201 H TRP 29 HN TRP 29 6.288 -17.116 -5.537 202 HA TRP 29 HA TRP 29 7.570 -19.389 -4.120 203 1HB TRP 29 HB1 TRP 29 8.638 -18.028 -6.583 204 2HB TRP 29 HB2 TRP 29 9.508 -19.188 -5.618 205 HD1 TRP 29 HD1 TRP 29 6.007 -19.105 -7.345 206 HE1 TRP 29 HE1 TRP 29 5.647 -21.435 -8.410 207 HE3 TRP 29 HE3 TRP 29 10.312 -21.321 -5.938 208 HZ2 TRP 29 HZ2 TRP 29 7.055 -23.943 -8.624 209 HZ3 TRP 29 HZ3 TRP 29 10.826 -23.685 -6.563 210 HH2 TRP 29 HH2 TRP 29 9.193 -24.994 -7.906 211 H CYS 30 HN CYS 30 6.722 -16.472 -3.512 212 HA CYS 30 HA CYS 30 9.179 -14.988 -3.185 213 1HB CYS 30 HB1 CYS 30 7.891 -13.408 -1.935 214 2HB CYS 30 HB2 CYS 30 6.902 -13.962 -3.282 215 H SER 31 HN SER 31 8.998 -17.763 -1.824 216 HA SER 31 HA SER 31 8.850 -17.617 0.945 217 1HB SER 31 HB1 SER 31 9.458 -19.669 -0.380 218 2HB SER 31 HB2 SER 31 11.081 -19.013 -0.564 219 HG SER 31 HG SER 31 10.647 -20.490 1.283 220 H SER 32 HN SER 32 9.478 -15.556 1.698 221 HA SER 32 HA SER 32 10.939 -13.785 2.215 222 1HB SER 32 HB1 SER 32 13.112 -15.757 2.654 223 2HB SER 32 HB2 SER 32 12.548 -14.457 3.697 224 HG SER 32 HG SER 32 11.848 -17.044 3.719 225 H ARG 33 HN ARG 33 10.988 -13.228 -0.058 226 HA ARG 33 HA ARG 33 13.773 -13.383 -1.101 227 1HB ARG 33 HB1 ARG 33 12.421 -15.085 -2.293 228 2HB ARG 33 HB2 ARG 33 11.292 -13.826 -2.792 229 1HG ARG 33 HG1 ARG 33 12.616 -13.548 -4.607 230 2HG ARG 33 HG2 ARG 33 13.791 -12.815 -3.512 231 1HD ARG 33 HD1 ARG 33 14.903 -14.927 -3.179 232 2HD ARG 33 HD2 ARG 33 13.619 -15.799 -4.016 233 HE ARG 33 HE ARG 33 15.337 -13.822 -5.458 234 1HH1 ARG 33 HH21 ARG 33 12.952 -15.482 -6.584 235 2HH1 ARG 33 HH22 ARG 33 13.821 -16.690 -7.469 236 1HH2 ARG 33 HH11 ARG 33 16.861 -15.995 -5.952 237 2HH2 ARG 33 HH12 ARG 33 16.034 -16.981 -7.113 238 H GLY 34 HN GLY 34 11.384 -12.045 -3.208 239 1HA GLY 34 HA1 GLY 34 12.039 -9.309 -2.204 240 2HA GLY 34 HA2 GLY 34 12.096 -9.693 -3.925 241 H LYS 35 HN LYS 35 9.795 -10.160 -1.214 242 HA LYS 35 HA LYS 35 7.427 -10.326 -2.660 243 1HB LYS 35 HB1 LYS 35 7.786 -8.751 -0.094 244 2HB LYS 35 HB2 LYS 35 6.283 -9.457 -0.688 245 1HG LYS 35 HG1 LYS 35 7.343 -11.713 -0.565 246 2HG LYS 35 HG2 LYS 35 8.788 -10.970 0.121 247 1HD LYS 35 HD1 LYS 35 6.754 -9.951 1.702 248 2HD LYS 35 HD2 LYS 35 6.227 -11.607 1.400 249 1HE LYS 35 HE1 LYS 35 9.068 -11.012 2.219 250 2HE LYS 35 HE2 LYS 35 7.795 -11.169 3.429 251 1HZ LYS 35 HZ2 LYS 35 7.307 -13.318 1.977 252 2HZ LYS 35 HZ3 LYS 35 8.978 -13.192 1.702 253 3HZ LYS 35 HZ1 LYS 35 8.389 -13.328 3.287 254 H VAL 36 HN VAL 36 5.881 -8.751 -3.398 255 HA VAL 36 HA VAL 36 7.111 -6.092 -3.995 256 HB VAL 36 HB VAL 36 4.707 -6.761 -5.516 257 1HG1 VAL 36 HG12 VAL 36 7.535 -5.882 -6.064 258 2HG1 VAL 36 HG11 VAL 36 6.460 -6.329 -7.389 259 3HG1 VAL 36 HG13 VAL 36 6.033 -4.993 -6.320 260 1HG2 VAL 36 HG23 VAL 36 7.127 -8.578 -5.746 261 2HG2 VAL 36 HG21 VAL 36 5.493 -9.062 -5.293 262 3HG2 VAL 36 HG22 VAL 36 5.822 -8.495 -6.931 263 H LEU 37 HN LEU 37 6.342 -5.484 -1.770 264 HA LEU 37 HA LEU 37 3.407 -5.020 -1.683 265 1HB LEU 37 HB1 LEU 37 5.532 -5.507 0.382 266 2HB LEU 37 HB2 LEU 37 4.042 -4.686 0.827 267 HG LEU 37 HG LEU 37 2.717 -6.556 0.229 268 1HD1 LEU 37 HD11 LEU 37 5.178 -7.505 -1.238 269 2HD1 LEU 37 HD13 LEU 37 3.835 -8.589 -0.879 270 3HD1 LEU 37 HD12 LEU 37 3.580 -7.177 -1.902 271 1HD2 LEU 37 HD22 LEU 37 5.275 -7.572 1.461 272 2HD2 LEU 37 HD23 LEU 37 3.875 -6.932 2.321 273 3HD2 LEU 37 HD21 LEU 37 3.751 -8.459 1.446 274 H GLU 38 HN GLU 38 3.146 -2.961 -2.562 275 HA GLU 38 HA GLU 38 4.640 -0.771 -1.189 276 1HB GLU 38 HB1 GLU 38 4.783 0.443 -3.340 277 2HB GLU 38 HB2 GLU 38 5.650 -1.092 -3.406 278 1HG GLU 38 HG1 GLU 38 3.085 -1.797 -4.175 279 2HG GLU 38 HG2 GLU 38 3.295 -0.209 -4.915 280 H PHE 39 HN PHE 39 3.532 1.353 -1.454 281 HA PHE 39 HA PHE 39 0.593 1.028 -1.697 282 1HB PHE 39 HB1 PHE 39 1.902 2.984 0.183 283 2HB PHE 39 HB2 PHE 39 0.258 2.349 0.234 284 HD1 PHE 39 HD2 PHE 39 0.765 -0.548 -0.219 285 HD2 PHE 39 HD1 PHE 39 2.844 2.286 2.253 286 HE1 PHE 39 HE2 PHE 39 1.531 -2.394 1.246 287 HE2 PHE 39 HE1 PHE 39 3.611 0.435 3.718 288 HZ PHE 39 HZ PHE 39 2.957 -1.905 3.215 289 H GLY 40 HN GLY 40 -0.472 2.728 -2.817 290 1HA GLY 40 HA1 GLY 40 1.345 4.852 -3.890 291 2HA GLY 40 HA2 GLY 40 0.182 4.024 -4.922 292 H CYS 41 HN CYS 41 -0.952 5.954 -5.422 293 HA CYS 41 HA CYS 41 -2.207 7.409 -3.168 294 1HB CYS 41 HB1 CYS 41 -0.991 8.510 -5.185 295 2HB CYS 41 HB2 CYS 41 -2.449 8.138 -6.079 296 H ALA 42 HN ALA 42 -4.502 8.156 -3.859 297 HA ALA 42 HA ALA 42 -6.162 6.583 -5.535 298 1HB ALA 42 HB1 ALA 42 -5.378 5.256 -3.114 299 2HB ALA 42 HB3 ALA 42 -7.106 5.602 -3.043 300 3HB ALA 42 HB2 ALA 42 -6.447 4.672 -4.389 301 H ALA 43 HN ALA 43 -8.527 6.606 -4.476 302 HA ALA 43 HA ALA 43 -8.958 9.397 -3.549 303 1HB ALA 43 HB3 ALA 43 -10.551 7.531 -5.285 304 2HB ALA 43 HB2 ALA 43 -11.355 8.853 -4.439 305 3HB ALA 43 HB1 ALA 43 -10.073 9.198 -5.601 306 H THR 44 HN THR 44 -10.119 6.044 -3.143 307 HA THR 44 HA THR 44 -10.753 6.700 -0.324 308 HB THR 44 HB THR 44 -12.863 7.012 -1.603 309 HG1 THR 44 HG1 THR 44 -12.714 5.986 0.553 310 1HG2 THR 44 HG23 THR 44 -11.933 4.562 -2.848 311 2HG2 THR 44 HG22 THR 44 -13.576 4.377 -2.235 312 3HG2 THR 44 HG21 THR 44 -13.201 5.668 -3.377 313 H CYS 45 HN CYS 45 -10.582 4.886 1.042 314 HA CYS 45 HA CYS 45 -8.763 2.965 0.655 315 1HB CYS 45 HB1 CYS 45 -10.108 3.451 2.735 316 2HB CYS 45 HB2 CYS 45 -11.359 2.407 2.071 317 HA PRO 46 HA PRO 46 -10.667 0.431 -2.510 318 1HB PRO 46 HB1 PRO 46 -8.485 -1.209 -2.891 319 2HB PRO 46 HB2 PRO 46 -8.644 0.406 -3.599 320 1HG PRO 46 HG1 PRO 46 -6.891 -0.509 -1.395 321 2HG PRO 46 HG2 PRO 46 -6.758 0.937 -2.399 322 1HD PRO 46 HD1 PRO 46 -7.783 0.727 0.291 323 2HD PRO 46 HD2 PRO 46 -7.668 2.184 -0.718 324 H SER 47 HN SER 47 -11.936 -1.380 -2.268 325 HA SER 47 HA SER 47 -11.305 -3.206 0.012 326 1HB SER 47 HB1 SER 47 -13.938 -2.641 -1.385 327 2HB SER 47 HB2 SER 47 -13.724 -3.794 -0.071 328 HG SER 47 HG SER 47 -13.346 -2.203 1.328 329 H VAL 48 HN VAL 48 -9.932 -3.580 -2.421 330 HA VAL 48 HA VAL 48 -11.335 -5.861 -3.707 331 HB VAL 48 HB VAL 48 -8.798 -4.554 -4.588 332 1HG1 VAL 48 HG12 VAL 48 -10.375 -6.785 -5.486 333 2HG1 VAL 48 HG11 VAL 48 -10.352 -5.536 -6.732 334 3HG1 VAL 48 HG13 VAL 48 -8.837 -6.201 -6.120 335 1HG2 VAL 48 HG23 VAL 48 -11.231 -3.270 -4.423 336 2HG2 VAL 48 HG22 VAL 48 -9.937 -2.839 -5.542 337 3HG2 VAL 48 HG21 VAL 48 -11.243 -3.902 -6.069 338 H ASN 49 HN ASN 49 -10.657 -6.742 -1.350 339 HA ASN 49 HA ASN 49 -7.902 -7.664 -1.243 340 1HB ASN 49 HB1 ASN 49 -8.965 -7.050 0.847 341 2HB ASN 49 HB2 ASN 49 -10.287 -8.177 0.544 342 1HD2 ASN 49 HD22 ASN 49 -8.522 -10.950 1.817 343 2HD2 ASN 49 HD21 ASN 49 -9.983 -10.341 1.208 344 H THR 50 HN THR 50 -8.709 -8.729 -3.539 345 HA THR 50 HA THR 50 -10.104 -11.262 -3.250 346 HB THR 50 HB THR 50 -10.211 -10.397 -5.435 347 HG1 THR 50 HG1 THR 50 -9.578 -12.130 -6.414 348 1HG2 THR 50 HG21 THR 50 -7.351 -9.672 -4.940 349 2HG2 THR 50 HG23 THR 50 -7.883 -9.901 -6.606 350 3HG2 THR 50 HG22 THR 50 -8.662 -8.687 -5.591 351 H GLY 51 HN GLY 51 -7.072 -11.550 -4.910 352 1HA GLY 51 HA1 GLY 51 -6.157 -13.446 -2.819 353 2HA GLY 51 HA2 GLY 51 -5.508 -13.331 -4.462 354 H THR 52 HN THR 52 -6.151 -10.385 -2.833 355 HA THR 52 HA THR 52 -3.274 -10.044 -2.111 356 HB THR 52 HB THR 52 -5.125 -8.182 -3.630 357 HG1 THR 52 HG1 THR 52 -2.493 -8.996 -4.258 358 1HG2 THR 52 HG21 THR 52 -2.459 -7.636 -2.294 359 2HG2 THR 52 HG23 THR 52 -3.146 -6.598 -3.543 360 3HG2 THR 52 HG22 THR 52 -3.991 -6.809 -2.011 361 H GLU 53 HN GLU 53 -3.037 -8.101 -0.578 362 HA GLU 53 HA GLU 53 -5.469 -7.859 1.131 363 1HB GLU 53 HB1 GLU 53 -4.017 -7.790 3.097 364 2HB GLU 53 HB2 GLU 53 -3.699 -9.265 2.184 365 1HG GLU 53 HG1 GLU 53 -1.988 -7.362 1.055 366 2HG GLU 53 HG2 GLU 53 -1.913 -7.043 2.787 367 H ILE 54 HN ILE 54 -6.117 -5.831 0.306 368 HA ILE 54 HA ILE 54 -4.087 -3.663 0.416 369 HB ILE 54 HB ILE 54 -5.722 -4.155 -1.614 370 1HG1 ILE 54 HG11 ILE 54 -5.375 -1.309 -0.669 371 2HG1 ILE 54 HG12 ILE 54 -4.028 -2.279 -1.264 372 1HG2 ILE 54 HG21 ILE 54 -7.608 -3.493 0.334 373 2HG2 ILE 54 HG22 ILE 54 -7.448 -2.030 -0.642 374 3HG2 ILE 54 HG23 ILE 54 -7.878 -3.559 -1.405 375 1HD1 ILE 54 HD11 ILE 54 -6.582 -1.799 -2.826 376 2HD1 ILE 54 HD12 ILE 54 -5.110 -0.851 -3.034 377 3HD1 ILE 54 HD13 ILE 54 -5.110 -2.573 -3.413 378 H LYS 55 HN LYS 55 -4.872 -1.537 1.334 379 HA LYS 55 HA LYS 55 -7.082 -1.708 3.256 380 1HB LYS 55 HB1 LYS 55 -4.200 -1.783 4.087 381 2HB LYS 55 HB2 LYS 55 -5.362 -0.921 5.096 382 1HG LYS 55 HG1 LYS 55 -6.736 -3.218 4.631 383 2HG LYS 55 HG2 LYS 55 -5.083 -3.831 4.581 384 1HD LYS 55 HD1 LYS 55 -4.904 -3.667 6.823 385 2HD LYS 55 HD2 LYS 55 -5.400 -1.976 6.780 386 1HE LYS 55 HE1 LYS 55 -7.251 -2.715 7.878 387 2HE LYS 55 HE2 LYS 55 -7.774 -3.270 6.287 388 1HZ LYS 55 HZ3 LYS 55 -6.149 -4.905 8.154 389 2HZ LYS 55 HZ1 LYS 55 -7.840 -4.998 8.048 390 3HZ LYS 55 HZ2 LYS 55 -6.881 -5.416 6.708 391 H CYS 56 HN CYS 56 -6.663 0.470 4.770 392 HA CYS 56 HA CYS 56 -6.475 2.643 2.741 393 1HB CYS 56 HB1 CYS 56 -7.446 3.285 5.468 394 2HB CYS 56 HB2 CYS 56 -8.101 3.760 3.903 395 H CYS 57 HN CYS 57 -5.069 4.400 3.085 396 HA CYS 57 HA CYS 57 -3.560 4.662 5.568 397 1HB CYS 57 HB1 CYS 57 -2.316 2.808 4.674 398 2HB CYS 57 HB2 CYS 57 -2.253 3.546 3.075 399 H SER 58 HN SER 58 -2.401 6.635 5.621 400 HA SER 58 HA SER 58 -2.401 8.239 3.145 401 1HB SER 58 HB1 SER 58 -3.610 10.061 4.032 402 2HB SER 58 HB2 SER 58 -4.530 8.651 4.553 403 HG SER 58 HG SER 58 -4.256 9.468 6.461 404 H ALA 59 HN ALA 59 -0.770 7.156 5.789 405 HA ALA 59 HA ALA 59 1.427 9.003 5.290 406 1HB ALA 59 HB1 ALA 59 -0.173 9.216 7.846 407 2HB ALA 59 HB3 ALA 59 1.499 9.765 7.735 408 3HB ALA 59 HB2 ALA 59 0.259 10.506 6.723 409 H ASP 60 HN ASP 60 1.486 8.045 8.520 410 HA ASP 60 HA ASP 60 3.195 5.724 7.826 411 1HB ASP 60 HB1 ASP 60 3.999 7.556 9.422 412 2HB ASP 60 HB2 ASP 60 2.781 6.975 10.558 413 H LYS 61 HN LYS 61 0.340 5.672 7.557 414 HA LYS 61 HA LYS 61 -0.453 3.830 9.738 415 1HB LYS 61 HB1 LYS 61 -2.055 5.574 9.615 416 2HB LYS 61 HB2 LYS 61 -2.040 5.565 7.851 417 1HG LYS 61 HG1 LYS 61 -3.145 3.407 7.798 418 2HG LYS 61 HG2 LYS 61 -3.014 3.249 9.550 419 1HD LYS 61 HD1 LYS 61 -4.271 5.720 9.153 420 2HD LYS 61 HD2 LYS 61 -5.019 4.646 7.969 421 1HE LYS 61 HE1 LYS 61 -6.009 3.363 9.578 422 2HE LYS 61 HE2 LYS 61 -4.625 3.483 10.664 423 1HZ LYS 61 HZ2 LYS 61 -5.837 6.016 10.342 424 2HZ LYS 61 HZ3 LYS 61 -7.007 4.880 10.819 425 3HZ LYS 61 HZ1 LYS 61 -5.617 5.110 11.762 426 H CYS 62 HN CYS 62 0.772 3.818 6.671 427 HA CYS 62 HA CYS 62 -0.815 1.928 5.283 428 1HB CYS 62 HB1 CYS 62 2.152 2.508 5.211 429 2HB CYS 62 HB2 CYS 62 1.394 1.332 4.141 430 H ASN 63 HN ASN 63 1.624 1.513 7.791 431 HA ASN 63 HA ASN 63 1.331 -1.431 7.590 432 1HB ASN 63 HB1 ASN 63 3.188 -1.315 9.400 433 2HB ASN 63 HB2 ASN 63 3.615 -0.870 7.748 434 1HD2 ASN 63 HD22 ASN 63 4.761 2.256 8.882 435 2HD2 ASN 63 HD21 ASN 63 5.010 0.902 7.889 436 H THR 64 HN THR 64 0.260 1.258 9.450 437 HA THR 64 HA THR 64 -1.001 1.392 11.426 438 HB THR 64 HB THR 64 -2.093 -1.179 11.659 439 HG1 THR 64 HG1 THR 64 -2.023 -1.993 9.738 440 1HG2 THR 64 HG21 THR 64 -3.178 1.049 11.861 441 2HG2 THR 64 HG23 THR 64 -3.080 1.225 10.109 442 3HG2 THR 64 HG22 THR 64 -4.078 -0.048 10.813 443 H TYR 65 HN TYR 65 0.508 1.518 13.096 444 HA TYR 65 HA TYR 65 2.313 -0.368 13.934 445 1HB TYR 65 HB1 TYR 65 1.922 2.033 14.816 446 2HB TYR 65 HB2 TYR 65 0.831 1.270 15.971 447 HD1 TYR 65 HD2 TYR 65 4.124 0.232 14.502 448 HD2 TYR 65 HD1 TYR 65 1.863 1.097 18.053 449 HE1 TYR 65 HE2 TYR 65 6.062 -0.438 15.899 450 HE2 TYR 65 HE1 TYR 65 3.802 0.428 19.451 451 HH TYR 65 HH TYR 65 5.893 -0.301 19.463 452 HA PRO 66 HA PRO 66 -0.975 -2.382 16.752 453 1HB PRO 66 HB1 PRO 66 -3.599 -1.668 16.333 454 2HB PRO 66 HB2 PRO 66 -2.533 -0.860 17.495 455 1HG PRO 66 HG1 PRO 66 -3.491 0.076 14.825 456 2HG PRO 66 HG2 PRO 66 -2.975 1.028 16.227 457 1HD PRO 66 HD1 PRO 66 -1.449 0.472 13.891 458 2HD PRO 66 HD2 PRO 66 -0.847 1.200 15.391 No H/Q in entry = 458 Start of MODEL 23 1 1H ARG 1 HT1 ARG 1 2.246 14.865 0.018 2 2H ARG 1 HT2 ARG 1 2.702 14.811 -1.616 3 3H ARG 1 HT3 ARG 1 1.317 13.979 -1.090 4 HA ARG 1 HA ARG 1 3.002 12.365 -1.377 5 1HB ARG 1 HB1 ARG 1 4.644 14.465 -0.019 6 2HB ARG 1 HB2 ARG 1 5.092 12.775 0.212 7 1HG ARG 1 HG1 ARG 1 5.980 12.678 -1.856 8 2HG ARG 1 HG2 ARG 1 4.484 13.276 -2.572 9 1HD ARG 1 HD1 ARG 1 5.161 15.593 -2.031 10 2HD ARG 1 HD2 ARG 1 6.660 14.988 -1.327 11 HE ARG 1 HE ARG 1 5.977 14.894 -4.229 12 1HH1 ARG 1 HH11 ARG 1 8.051 13.763 -1.777 13 2HH1 ARG 1 HH12 ARG 1 9.507 14.012 -2.681 14 1HH2 ARG 1 HH21 ARG 1 7.906 15.561 -5.338 15 2HH2 ARG 1 HH22 ARG 1 9.425 15.031 -4.698 16 H GLU 2 HN GLU 2 1.481 11.120 -0.218 17 HA GLU 2 HA GLU 2 1.926 11.066 2.735 18 1HB GLU 2 HB1 GLU 2 -0.621 10.296 2.690 19 2HB GLU 2 HB2 GLU 2 -0.189 12.004 2.751 20 1HG GLU 2 HG1 GLU 2 -0.445 12.195 0.334 21 2HG GLU 2 HG2 GLU 2 -0.735 10.461 0.195 22 H CYS 3 HN CYS 3 3.419 9.354 1.470 23 HA CYS 3 HA CYS 3 2.128 6.755 1.954 24 1HB CYS 3 HB1 CYS 3 3.475 7.330 -0.695 25 2HB CYS 3 HB2 CYS 3 2.697 5.823 -0.211 26 H TYR 4 HN TYR 4 5.013 8.553 1.067 27 HA TYR 4 HA TYR 4 7.221 7.060 1.194 28 1HB TYR 4 HB1 TYR 4 7.961 8.634 3.227 29 2HB TYR 4 HB2 TYR 4 7.804 9.236 1.578 30 HD1 TYR 4 HD2 TYR 4 5.092 8.277 3.969 31 HD2 TYR 4 HD1 TYR 4 7.049 11.490 1.892 32 HE1 TYR 4 HE2 TYR 4 3.332 9.841 4.736 33 HE2 TYR 4 HE1 TYR 4 5.285 13.056 2.660 34 HH TYR 4 HH TYR 4 2.938 12.147 5.054 35 H LEU 5 HN LEU 5 6.618 4.932 2.188 36 HA LEU 5 HA LEU 5 7.185 4.972 5.018 37 1HB LEU 5 HB1 LEU 5 4.652 3.982 3.828 38 2HB LEU 5 HB2 LEU 5 5.157 3.546 5.447 39 HG LEU 5 HG LEU 5 4.869 6.415 4.456 40 1HD1 LEU 5 HD11 LEU 5 2.831 4.548 5.079 41 2HD1 LEU 5 HD13 LEU 5 2.958 5.621 6.473 42 3HD1 LEU 5 HD12 LEU 5 2.661 6.290 4.868 43 1HD2 LEU 5 HD22 LEU 5 5.999 5.172 6.818 44 2HD2 LEU 5 HD23 LEU 5 5.972 6.877 6.368 45 3HD2 LEU 5 HD21 LEU 5 4.623 6.181 7.265 46 H ASN 6 HN ASN 6 5.574 2.256 3.599 47 HA ASN 6 HA ASN 6 7.231 0.244 4.352 48 1HB ASN 6 HB1 ASN 6 6.608 -0.988 2.269 49 2HB ASN 6 HB2 ASN 6 5.229 -0.206 3.041 50 1HD2 ASN 6 HD22 ASN 6 6.329 0.904 -0.697 51 2HD2 ASN 6 HD21 ASN 6 7.128 -0.342 0.131 52 HA PRO 7 HA PRO 7 11.151 0.907 2.492 53 1HB PRO 7 HB1 PRO 7 12.128 -1.651 2.791 54 2HB PRO 7 HB2 PRO 7 12.020 -0.476 4.113 55 1HG PRO 7 HG1 PRO 7 10.301 -2.858 3.537 56 2HG PRO 7 HG2 PRO 7 10.664 -2.089 5.091 57 1HD PRO 7 HD1 PRO 7 8.282 -1.775 3.588 58 2HD PRO 7 HD2 PRO 7 8.796 -0.753 4.947 59 H HIS 8 HN HIS 8 8.670 -0.748 1.071 60 HA HIS 8 HA HIS 8 10.235 -1.946 -1.118 61 1HB HIS 8 HB1 HIS 8 7.259 -1.637 -1.196 62 2HB HIS 8 HB2 HIS 8 8.250 -2.949 -1.822 63 HD1 HIS 8 HD1 HIS 8 5.818 -2.668 0.575 64 HD2 HIS 8 HD2 HIS 8 9.769 -3.973 0.852 65 HE1 HIS 8 HE1 HIS 8 5.918 -4.203 2.581 66 H ASP 9 HN ASP 9 10.543 0.850 -0.799 67 HA ASP 9 HA ASP 9 10.801 2.624 -2.341 68 1HB ASP 9 HB1 ASP 9 8.774 1.326 -4.152 69 2HB ASP 9 HB2 ASP 9 10.099 2.411 -4.577 70 H THR 10 HN THR 10 7.415 1.402 -2.142 71 HA THR 10 HA THR 10 5.467 2.563 -1.526 72 HB THR 10 HB THR 10 6.891 5.035 -0.725 73 HG1 THR 10 HG1 THR 10 8.116 4.130 0.773 74 1HG2 THR 10 HG22 THR 10 4.529 3.570 -0.047 75 2HG2 THR 10 HG21 THR 10 5.524 3.701 1.402 76 3HG2 THR 10 HG23 THR 10 5.034 5.153 0.536 77 H GLN 11 HN GLN 11 4.552 5.030 -1.959 78 HA GLN 11 HA GLN 11 5.695 6.171 -4.381 79 1HB GLN 11 HB1 GLN 11 4.432 4.412 -5.416 80 2HB GLN 11 HB2 GLN 11 3.035 4.738 -4.390 81 1HG GLN 11 HG1 GLN 11 2.384 6.556 -5.631 82 2HG GLN 11 HG2 GLN 11 4.043 7.019 -6.012 83 1HE2 GLN 11 HE22 GLN 11 2.803 3.804 -8.228 84 2HE2 GLN 11 HE21 GLN 11 2.715 3.751 -6.533 85 H THR 12 HN THR 12 5.771 7.912 -2.691 86 HA THR 12 HA THR 12 3.654 9.069 -1.375 87 HB THR 12 HB THR 12 4.851 11.162 -1.440 88 HG1 THR 12 HG1 THR 12 6.522 10.118 -3.451 89 1HG2 THR 12 HG21 THR 12 6.075 8.665 -0.848 90 2HG2 THR 12 HG23 THR 12 7.304 9.683 -1.598 91 3HG2 THR 12 HG22 THR 12 6.453 10.244 -0.159 92 H CYS 13 HN CYS 13 2.010 10.547 -1.919 93 HA CYS 13 HA CYS 13 1.516 10.852 -4.856 94 1HB CYS 13 HB1 CYS 13 -0.142 9.420 -3.686 95 2HB CYS 13 HB2 CYS 13 -0.508 10.759 -2.599 96 HA PRO 14 HA PRO 14 2.087 15.105 -3.352 97 1HB PRO 14 HB1 PRO 14 3.220 15.971 -5.706 98 2HB PRO 14 HB2 PRO 14 4.137 15.220 -4.389 99 1HG PRO 14 HG1 PRO 14 3.305 14.073 -7.024 100 2HG PRO 14 HG2 PRO 14 4.692 13.650 -6.007 101 1HD PRO 14 HD1 PRO 14 2.253 12.207 -6.213 102 2HD PRO 14 HD2 PRO 14 3.508 11.969 -4.978 103 H SER 15 HN SER 15 1.446 14.748 -6.864 104 HA SER 15 HA SER 15 -0.836 16.633 -6.536 105 1HB SER 15 HB1 SER 15 1.102 16.922 -8.266 106 2HB SER 15 HB2 SER 15 0.236 15.695 -9.186 107 HG SER 15 HG SER 15 -0.287 18.164 -9.295 108 H GLY 16 HN GLY 16 -2.566 16.075 -8.434 109 1HA GLY 16 HA1 GLY 16 -4.050 14.464 -9.368 110 2HA GLY 16 HA2 GLY 16 -3.062 13.185 -8.662 111 H GLN 17 HN GLN 17 -4.489 12.047 -7.396 112 HA GLN 17 HA GLN 17 -6.685 13.278 -5.977 113 1HB GLN 17 HB1 GLN 17 -5.398 10.583 -5.448 114 2HB GLN 17 HB2 GLN 17 -7.028 11.085 -4.996 115 1HG GLN 17 HG1 GLN 17 -7.755 10.330 -6.992 116 2HG GLN 17 HG2 GLN 17 -6.787 11.582 -7.771 117 1HE2 GLN 17 HE22 GLN 17 -5.397 7.727 -7.651 118 2HE2 GLN 17 HE21 GLN 17 -6.696 8.187 -6.660 119 H GLU 18 HN GLU 18 -6.472 12.089 -3.405 120 HA GLU 18 HA GLU 18 -4.024 13.335 -2.254 121 1HB GLU 18 HB1 GLU 18 -6.888 13.954 -1.500 122 2HB GLU 18 HB2 GLU 18 -5.526 14.309 -0.435 123 1HG GLU 18 HG1 GLU 18 -4.541 15.459 -2.605 124 2HG GLU 18 HG2 GLU 18 -6.237 15.525 -3.086 125 H ILE 19 HN ILE 19 -5.791 10.606 -2.526 126 HA ILE 19 HA ILE 19 -5.413 9.789 0.319 127 HB ILE 19 HB ILE 19 -6.839 8.222 -1.814 128 1HG1 ILE 19 HG11 ILE 19 -7.561 10.815 -0.926 129 2HG1 ILE 19 HG12 ILE 19 -8.547 9.701 -1.862 130 1HG2 ILE 19 HG21 ILE 19 -6.910 8.296 1.211 131 2HG2 ILE 19 HG22 ILE 19 -8.082 7.402 0.240 132 3HG2 ILE 19 HG23 ILE 19 -6.371 6.971 0.180 133 1HD1 ILE 19 HD13 ILE 19 -8.406 9.764 1.168 134 2HD1 ILE 19 HD11 ILE 19 -9.700 10.471 0.202 135 3HD1 ILE 19 HD12 ILE 19 -9.450 8.724 0.199 136 H CYS 20 HN CYS 20 -4.465 7.719 0.702 137 HA CYS 20 HA CYS 20 -2.666 6.769 -1.491 138 1HB CYS 20 HB1 CYS 20 -1.494 8.133 0.323 139 2HB CYS 20 HB2 CYS 20 -1.908 6.839 1.443 140 H TYR 21 HN TYR 21 -2.921 4.596 -1.874 141 HA TYR 21 HA TYR 21 -4.479 3.068 0.150 142 1HB TYR 21 HB1 TYR 21 -5.092 1.568 -1.571 143 2HB TYR 21 HB2 TYR 21 -5.132 3.146 -2.355 144 HD1 TYR 21 HD2 TYR 21 -2.930 0.173 -1.777 145 HD2 TYR 21 HD1 TYR 21 -3.798 3.580 -4.244 146 HE1 TYR 21 HE2 TYR 21 -1.251 -0.597 -3.434 147 HE2 TYR 21 HE1 TYR 21 -2.121 2.811 -5.901 148 HH TYR 21 HH TYR 21 -0.001 1.332 -5.816 149 H VAL 22 HN VAL 22 -3.725 0.844 0.643 150 HA VAL 22 HA VAL 22 -0.764 0.613 0.314 151 HB VAL 22 HB VAL 22 -0.534 -0.119 2.588 152 1HG1 VAL 22 HG13 VAL 22 -1.267 2.434 1.935 153 2HG1 VAL 22 HG12 VAL 22 -2.490 2.033 3.141 154 3HG1 VAL 22 HG11 VAL 22 -0.780 1.936 3.553 155 1HG2 VAL 22 HG21 VAL 22 -3.532 -0.268 2.472 156 2HG2 VAL 22 HG23 VAL 22 -2.382 -1.490 3.014 157 3HG2 VAL 22 HG22 VAL 22 -2.711 -0.081 4.021 158 H LYS 23 HN LYS 23 -0.618 -1.040 -1.150 159 HA LYS 23 HA LYS 23 -2.367 -3.420 -0.735 160 1HB LYS 23 HB1 LYS 23 -2.129 -2.192 -3.016 161 2HB LYS 23 HB2 LYS 23 -0.552 -2.974 -3.104 162 1HG LYS 23 HG1 LYS 23 -1.486 -5.120 -3.192 163 2HG LYS 23 HG2 LYS 23 -2.992 -4.600 -2.435 164 1HD LYS 23 HD1 LYS 23 -3.663 -4.809 -4.655 165 2HD LYS 23 HD2 LYS 23 -3.198 -3.109 -4.611 166 1HE LYS 23 HE1 LYS 23 -0.851 -4.656 -5.131 167 2HE LYS 23 HE2 LYS 23 -2.115 -5.199 -6.234 168 1HZ LYS 23 HZ3 LYS 23 -2.264 -2.427 -6.109 169 2HZ LYS 23 HZ1 LYS 23 -0.624 -2.813 -6.307 170 3HZ LYS 23 HZ2 LYS 23 -1.770 -3.385 -7.424 171 H SER 24 HN SER 24 -1.428 -5.035 0.425 172 HA SER 24 HA SER 24 1.494 -5.469 0.033 173 1HB SER 24 HB1 SER 24 1.135 -6.226 2.634 174 2HB SER 24 HB2 SER 24 1.735 -4.645 2.136 175 HG SER 24 HG SER 24 -0.227 -4.840 3.595 176 H TRP 25 HN TRP 25 1.666 -7.437 -0.867 177 HA TRP 25 HA TRP 25 0.260 -9.727 0.418 178 1HB TRP 25 HB1 TRP 25 -0.452 -10.587 -1.751 179 2HB TRP 25 HB2 TRP 25 -1.073 -8.945 -1.558 180 HD1 TRP 25 HD1 TRP 25 1.159 -11.008 -3.738 181 HE1 TRP 25 HE1 TRP 25 2.202 -9.495 -5.558 182 HE3 TRP 25 HE3 TRP 25 -0.102 -6.509 -1.848 183 HZ2 TRP 25 HZ2 TRP 25 2.472 -6.665 -6.093 184 HZ3 TRP 25 HZ3 TRP 25 0.554 -4.445 -2.951 185 HH2 TRP 25 HH2 TRP 25 1.838 -4.475 -5.086 186 H CYS 26 HN CYS 26 1.378 -11.744 0.093 187 HA CYS 26 HA CYS 26 3.952 -11.609 -1.385 188 1HB CYS 26 HB1 CYS 26 5.289 -12.236 0.402 189 2HB CYS 26 HB2 CYS 26 4.115 -11.232 1.238 190 H ASN 27 HN ASN 27 4.832 -14.178 -0.739 191 HA ASN 27 HA ASN 27 2.604 -15.823 -1.868 192 1HB ASN 27 HB1 ASN 27 5.540 -15.725 -2.413 193 2HB ASN 27 HB2 ASN 27 4.738 -17.293 -2.519 194 1HD2 ASN 27 HD22 ASN 27 4.224 -16.086 -5.894 195 2HD2 ASN 27 HD21 ASN 27 5.343 -16.936 -4.942 196 H ALA 28 HN ALA 28 3.448 -18.350 -1.405 197 HA ALA 28 HA ALA 28 3.145 -18.581 1.478 198 1HB ALA 28 HB1 ALA 28 3.541 -20.664 -0.677 199 2HB ALA 28 HB3 ALA 28 3.243 -21.045 1.018 200 3HB ALA 28 HB2 ALA 28 2.013 -20.202 0.076 201 H TRP 29 HN TRP 29 5.754 -17.841 -0.267 202 HA TRP 29 HA TRP 29 7.584 -19.154 1.673 203 1HB TRP 29 HB1 TRP 29 8.061 -18.868 -1.284 204 2HB TRP 29 HB2 TRP 29 9.166 -19.556 -0.121 205 HD1 TRP 29 HD1 TRP 29 5.417 -20.180 -1.019 206 HE1 TRP 29 HE1 TRP 29 5.080 -22.745 -1.071 207 HE3 TRP 29 HE3 TRP 29 10.096 -21.643 0.163 208 HZ2 TRP 29 HZ2 TRP 29 6.648 -25.130 -0.649 209 HZ3 TRP 29 HZ3 TRP 29 10.699 -24.062 0.345 210 HH2 TRP 29 HH2 TRP 29 8.970 -25.803 -0.060 211 H CYS 30 HN CYS 30 6.376 -16.353 1.214 212 HA CYS 30 HA CYS 30 8.543 -14.651 0.370 213 1HB CYS 30 HB1 CYS 30 7.208 -12.852 1.553 214 2HB CYS 30 HB2 CYS 30 6.368 -13.721 0.268 215 H SER 31 HN SER 31 8.858 -16.634 2.848 216 HA SER 31 HA SER 31 9.295 -15.310 5.224 217 1HB SER 31 HB1 SER 31 9.805 -17.691 4.952 218 2HB SER 31 HB2 SER 31 11.162 -17.302 3.900 219 HG SER 31 HG SER 31 10.895 -16.935 6.659 220 H SER 32 HN SER 32 9.841 -13.126 4.854 221 HA SER 32 HA SER 32 11.183 -11.304 4.180 222 1HB SER 32 HB1 SER 32 13.602 -12.622 5.184 223 2HB SER 32 HB2 SER 32 12.843 -11.117 5.694 224 HG SER 32 HG SER 32 11.417 -12.237 6.946 225 H ARG 33 HN ARG 33 10.952 -11.972 1.935 226 HA ARG 33 HA ARG 33 13.629 -12.654 0.779 227 1HB ARG 33 HB1 ARG 33 11.064 -14.006 0.386 228 2HB ARG 33 HB2 ARG 33 11.791 -13.486 -1.135 229 1HG ARG 33 HG1 ARG 33 13.431 -15.034 -0.988 230 2HG ARG 33 HG2 ARG 33 13.749 -14.645 0.704 231 1HD ARG 33 HD1 ARG 33 11.659 -15.951 1.290 232 2HD ARG 33 HD2 ARG 33 11.598 -16.477 -0.393 233 HE ARG 33 HE ARG 33 14.076 -17.269 0.191 234 1HH1 ARG 33 HH11 ARG 33 14.175 -17.182 2.993 235 2HH1 ARG 33 HH12 ARG 33 13.380 -18.620 3.540 236 1HH2 ARG 33 HH21 ARG 33 11.775 -19.200 0.522 237 2HH2 ARG 33 HH22 ARG 33 12.022 -19.762 2.142 238 H GLY 34 HN GLY 34 10.725 -11.986 -1.077 239 1HA GLY 34 HA1 GLY 34 11.563 -9.183 -1.519 240 2HA GLY 34 HA2 GLY 34 11.562 -10.249 -2.927 241 H LYS 35 HN LYS 35 9.325 -10.032 -0.157 242 HA LYS 35 HA LYS 35 6.960 -10.590 -1.464 243 1HB LYS 35 HB1 LYS 35 7.162 -8.349 0.559 244 2HB LYS 35 HB2 LYS 35 5.805 -9.443 0.288 245 1HG LYS 35 HG1 LYS 35 6.692 -10.667 1.982 246 2HG LYS 35 HG2 LYS 35 7.887 -11.187 0.794 247 1HD LYS 35 HD1 LYS 35 9.478 -10.218 2.062 248 2HD LYS 35 HD2 LYS 35 8.746 -8.653 1.709 249 1HE LYS 35 HE1 LYS 35 8.209 -8.485 3.892 250 2HE LYS 35 HE2 LYS 35 7.112 -9.850 3.679 251 1HZ LYS 35 HZ2 LYS 35 9.153 -11.287 3.980 252 2HZ LYS 35 HZ3 LYS 35 9.940 -9.892 4.546 253 3HZ LYS 35 HZ1 LYS 35 8.580 -10.488 5.365 254 H VAL 36 HN VAL 36 5.383 -9.344 -2.589 255 HA VAL 36 HA VAL 36 6.520 -6.962 -3.962 256 HB VAL 36 HB VAL 36 3.870 -7.864 -4.842 257 1HG1 VAL 36 HG12 VAL 36 6.582 -7.424 -6.102 258 2HG1 VAL 36 HG11 VAL 36 5.188 -7.978 -7.027 259 3HG1 VAL 36 HG13 VAL 36 5.148 -6.405 -6.231 260 1HG2 VAL 36 HG23 VAL 36 6.198 -9.808 -4.839 261 2HG2 VAL 36 HG22 VAL 36 4.582 -10.074 -4.188 262 3HG2 VAL 36 HG21 VAL 36 4.823 -9.959 -5.931 263 H LEU 37 HN LEU 37 6.143 -5.849 -1.798 264 HA LEU 37 HA LEU 37 3.299 -5.111 -1.373 265 1HB LEU 37 HB1 LEU 37 5.771 -5.247 0.308 266 2HB LEU 37 HB2 LEU 37 4.491 -4.135 0.776 267 HG LEU 37 HG LEU 37 2.945 -5.875 1.087 268 1HD1 LEU 37 HD11 LEU 37 3.415 -7.015 -1.082 269 2HD1 LEU 37 HD13 LEU 37 4.843 -7.749 -0.357 270 3HD1 LEU 37 HD12 LEU 37 3.237 -8.155 0.249 271 1HD2 LEU 37 HD23 LEU 37 5.636 -7.001 1.868 272 2HD2 LEU 37 HD22 LEU 37 4.657 -5.894 2.831 273 3HD2 LEU 37 HD21 LEU 37 4.084 -7.533 2.517 274 H GLU 38 HN GLU 38 2.747 -3.180 -2.356 275 HA GLU 38 HA GLU 38 4.629 -0.911 -2.026 276 1HB GLU 38 HB1 GLU 38 3.874 -0.307 -4.500 277 2HB GLU 38 HB2 GLU 38 5.273 -1.338 -4.197 278 1HG GLU 38 HG1 GLU 38 4.174 -3.254 -4.873 279 2HG GLU 38 HG2 GLU 38 2.595 -2.653 -4.366 280 H PHE 39 HN PHE 39 3.584 1.163 -2.152 281 HA PHE 39 HA PHE 39 0.626 1.018 -1.918 282 1HB PHE 39 HB1 PHE 39 2.461 3.055 -0.627 283 2HB PHE 39 HB2 PHE 39 0.727 2.880 -0.360 284 HD1 PHE 39 HD2 PHE 39 0.970 -0.285 -0.517 285 HD2 PHE 39 HD1 PHE 39 2.918 2.766 1.794 286 HE1 PHE 39 HE2 PHE 39 1.424 -1.939 1.274 287 HE2 PHE 39 HE1 PHE 39 3.371 1.113 3.589 288 HZ PHE 39 HZ PHE 39 2.627 -1.241 3.329 289 H GLY 40 HN GLY 40 -0.438 3.177 -2.575 290 1HA GLY 40 HA1 GLY 40 1.152 4.788 -4.469 291 2HA GLY 40 HA2 GLY 40 -0.153 3.845 -5.187 292 H CYS 41 HN CYS 41 -1.197 5.878 -5.786 293 HA CYS 41 HA CYS 41 -2.260 7.472 -3.518 294 1HB CYS 41 HB1 CYS 41 -1.119 8.470 -5.638 295 2HB CYS 41 HB2 CYS 41 -2.634 8.115 -6.437 296 H ALA 42 HN ALA 42 -4.580 8.265 -4.153 297 HA ALA 42 HA ALA 42 -6.344 6.652 -5.668 298 1HB ALA 42 HB2 ALA 42 -5.843 5.724 -2.850 299 2HB ALA 42 HB1 ALA 42 -7.420 5.481 -3.602 300 3HB ALA 42 HB3 ALA 42 -5.979 4.766 -4.325 301 H ALA 43 HN ALA 43 -8.666 6.798 -4.619 302 HA ALA 43 HA ALA 43 -8.992 9.591 -3.655 303 1HB ALA 43 HB3 ALA 43 -9.986 8.615 -5.931 304 2HB ALA 43 HB2 ALA 43 -11.263 8.064 -4.847 305 3HB ALA 43 HB1 ALA 43 -10.885 9.783 -4.962 306 H THR 44 HN THR 44 -10.175 6.252 -3.255 307 HA THR 44 HA THR 44 -10.888 6.932 -0.467 308 HB THR 44 HB THR 44 -12.969 7.244 -1.784 309 HG1 THR 44 HG1 THR 44 -14.162 5.553 -0.618 310 1HG2 THR 44 HG22 THR 44 -12.049 5.268 -3.381 311 2HG2 THR 44 HG21 THR 44 -13.150 4.338 -2.363 312 3HG2 THR 44 HG23 THR 44 -13.754 5.712 -3.291 313 H CYS 45 HN CYS 45 -10.869 5.082 0.903 314 HA CYS 45 HA CYS 45 -9.006 3.183 0.634 315 1HB CYS 45 HB1 CYS 45 -10.546 3.642 2.597 316 2HB CYS 45 HB2 CYS 45 -11.695 2.555 1.828 317 HA PRO 46 HA PRO 46 -10.638 0.656 -2.689 318 1HB PRO 46 HB1 PRO 46 -8.396 -0.932 -2.933 319 2HB PRO 46 HB2 PRO 46 -8.542 0.687 -3.635 320 1HG PRO 46 HG1 PRO 46 -6.914 -0.214 -1.336 321 2HG PRO 46 HG2 PRO 46 -6.768 1.261 -2.294 322 1HD PRO 46 HD1 PRO 46 -7.976 0.935 0.314 323 2HD PRO 46 HD2 PRO 46 -7.804 2.429 -0.632 324 H SER 47 HN SER 47 -11.487 -1.494 -2.856 325 HA SER 47 HA SER 47 -11.137 -3.188 -0.413 326 1HB SER 47 HB1 SER 47 -13.443 -3.687 -0.371 327 2HB SER 47 HB2 SER 47 -13.402 -1.960 -0.716 328 HG SER 47 HG SER 47 -13.371 -2.697 -3.015 329 H VAL 48 HN VAL 48 -9.477 -3.628 -2.548 330 HA VAL 48 HA VAL 48 -10.712 -5.905 -4.017 331 HB VAL 48 HB VAL 48 -8.378 -4.142 -4.622 332 1HG1 VAL 48 HG11 VAL 48 -8.794 -6.937 -5.351 333 2HG1 VAL 48 HG13 VAL 48 -8.645 -5.890 -6.761 334 3HG1 VAL 48 HG12 VAL 48 -7.359 -5.933 -5.555 335 1HG2 VAL 48 HG22 VAL 48 -11.074 -4.078 -5.330 336 2HG2 VAL 48 HG21 VAL 48 -9.773 -3.182 -6.114 337 3HG2 VAL 48 HG23 VAL 48 -10.268 -4.752 -6.745 338 H ASN 49 HN ASN 49 -10.399 -7.140 -1.929 339 HA ASN 49 HA ASN 49 -7.654 -7.734 -1.173 340 1HB ASN 49 HB1 ASN 49 -9.670 -7.605 0.415 341 2HB ASN 49 HB2 ASN 49 -10.108 -9.194 -0.212 342 1HD2 ASN 49 HD22 ASN 49 -7.632 -9.251 2.781 343 2HD2 ASN 49 HD21 ASN 49 -8.931 -8.193 2.511 344 H THR 50 HN THR 50 -8.284 -8.446 -3.894 345 HA THR 50 HA THR 50 -8.891 -11.258 -4.106 346 HB THR 50 HB THR 50 -9.119 -9.746 -6.033 347 HG1 THR 50 HG1 THR 50 -8.688 -11.436 -7.168 348 1HG2 THR 50 HG21 THR 50 -6.827 -8.590 -5.183 349 2HG2 THR 50 HG23 THR 50 -6.187 -9.613 -6.469 350 3HG2 THR 50 HG22 THR 50 -7.435 -8.420 -6.829 351 H GLY 51 HN GLY 51 -7.498 -12.228 -2.488 352 1HA GLY 51 HA1 GLY 51 -5.529 -13.304 -1.793 353 2HA GLY 51 HA2 GLY 51 -5.023 -13.226 -3.483 354 H THR 52 HN THR 52 -5.829 -10.211 -2.088 355 HA THR 52 HA THR 52 -2.961 -9.634 -1.479 356 HB THR 52 HB THR 52 -4.877 -7.967 -3.138 357 HG1 THR 52 HG1 THR 52 -3.782 -8.730 -4.749 358 1HG2 THR 52 HG21 THR 52 -2.367 -7.302 -1.685 359 2HG2 THR 52 HG23 THR 52 -2.541 -6.654 -3.315 360 3HG2 THR 52 HG22 THR 52 -3.744 -6.274 -2.083 361 H GLU 53 HN GLU 53 -2.687 -7.863 0.075 362 HA GLU 53 HA GLU 53 -5.132 -7.490 1.732 363 1HB GLU 53 HB1 GLU 53 -2.354 -6.846 2.674 364 2HB GLU 53 HB2 GLU 53 -3.758 -7.341 3.618 365 1HG GLU 53 HG1 GLU 53 -2.427 -9.162 1.600 366 2HG GLU 53 HG2 GLU 53 -1.948 -9.117 3.296 367 H ILE 54 HN ILE 54 -5.955 -5.675 0.491 368 HA ILE 54 HA ILE 54 -4.202 -3.282 0.428 369 HB ILE 54 HB ILE 54 -5.956 -4.242 -1.453 370 1HG1 ILE 54 HG11 ILE 54 -5.397 -1.299 -1.210 371 2HG1 ILE 54 HG12 ILE 54 -4.088 -2.448 -1.488 372 1HG2 ILE 54 HG21 ILE 54 -7.740 -3.202 0.307 373 2HG2 ILE 54 HG22 ILE 54 -7.393 -1.784 -0.682 374 3HG2 ILE 54 HG23 ILE 54 -8.002 -3.257 -1.432 375 1HD1 ILE 54 HD11 ILE 54 -5.308 -3.310 -3.481 376 2HD1 ILE 54 HD12 ILE 54 -6.554 -2.090 -3.221 377 3HD1 ILE 54 HD13 ILE 54 -4.910 -1.598 -3.633 378 H LYS 55 HN LYS 55 -4.968 -1.261 1.335 379 HA LYS 55 HA LYS 55 -7.303 -1.349 3.108 380 1HB LYS 55 HB1 LYS 55 -4.481 -1.146 4.187 381 2HB LYS 55 HB2 LYS 55 -5.908 -0.675 5.109 382 1HG LYS 55 HG1 LYS 55 -6.808 -3.028 4.592 383 2HG LYS 55 HG2 LYS 55 -5.165 -3.419 4.081 384 1HD LYS 55 HD1 LYS 55 -4.334 -3.314 6.224 385 2HD LYS 55 HD2 LYS 55 -5.471 -2.058 6.714 386 1HE LYS 55 HE1 LYS 55 -6.652 -3.682 7.745 387 2HE LYS 55 HE2 LYS 55 -7.081 -4.275 6.139 388 1HZ LYS 55 HZ2 LYS 55 -4.519 -5.033 7.388 389 2HZ LYS 55 HZ3 LYS 55 -5.946 -5.870 7.771 390 3HZ LYS 55 HZ1 LYS 55 -5.391 -5.833 6.169 391 H CYS 56 HN CYS 56 -6.995 0.866 4.559 392 HA CYS 56 HA CYS 56 -6.646 2.973 2.485 393 1HB CYS 56 HB1 CYS 56 -7.764 3.850 5.044 394 2HB CYS 56 HB2 CYS 56 -8.419 4.034 3.420 395 H CYS 57 HN CYS 57 -5.251 4.716 2.848 396 HA CYS 57 HA CYS 57 -3.924 5.059 5.427 397 1HB CYS 57 HB1 CYS 57 -2.586 3.214 4.659 398 2HB CYS 57 HB2 CYS 57 -2.429 3.921 3.053 399 H SER 58 HN SER 58 -3.119 7.132 5.584 400 HA SER 58 HA SER 58 -2.735 8.639 3.067 401 1HB SER 58 HB1 SER 58 -3.964 10.590 4.068 402 2HB SER 58 HB2 SER 58 -5.001 9.208 3.723 403 HG SER 58 HG SER 58 -5.486 9.195 5.741 404 H ALA 59 HN ALA 59 -1.411 7.614 5.841 405 HA ALA 59 HA ALA 59 0.679 9.642 5.732 406 1HB ALA 59 HB3 ALA 59 -1.132 9.505 8.160 407 2HB ALA 59 HB2 ALA 59 0.404 10.371 8.107 408 3HB ALA 59 HB1 ALA 59 -0.934 10.883 7.076 409 H ASP 60 HN ASP 60 0.467 8.527 8.879 410 HA ASP 60 HA ASP 60 2.355 6.323 8.278 411 1HB ASP 60 HB1 ASP 60 3.133 7.927 9.956 412 2HB ASP 60 HB2 ASP 60 1.637 7.737 10.872 413 H LYS 61 HN LYS 61 -0.434 6.118 7.705 414 HA LYS 61 HA LYS 61 -1.373 4.208 9.763 415 1HB LYS 61 HB1 LYS 61 -3.025 5.886 9.447 416 2HB LYS 61 HB2 LYS 61 -2.821 5.853 7.696 417 1HG LYS 61 HG1 LYS 61 -3.957 3.807 7.480 418 2HG LYS 61 HG2 LYS 61 -3.714 3.385 9.174 419 1HD LYS 61 HD1 LYS 61 -5.460 5.663 8.193 420 2HD LYS 61 HD2 LYS 61 -6.060 4.081 8.692 421 1HE LYS 61 HE1 LYS 61 -4.515 4.726 10.838 422 2HE LYS 61 HE2 LYS 61 -5.049 6.330 10.336 423 1HZ LYS 61 HZ1 LYS 61 -7.041 4.192 10.449 424 2HZ LYS 61 HZ2 LYS 61 -6.493 4.840 11.921 425 3HZ LYS 61 HZ3 LYS 61 -7.215 5.850 10.761 426 H CYS 62 HN CYS 62 0.207 4.279 6.871 427 HA CYS 62 HA CYS 62 -1.107 2.328 5.296 428 1HB CYS 62 HB1 CYS 62 1.802 3.084 5.577 429 2HB CYS 62 HB2 CYS 62 1.268 1.854 4.436 430 H ASN 63 HN ASN 63 0.471 2.018 8.312 431 HA ASN 63 HA ASN 63 0.775 -0.915 7.944 432 1HB ASN 63 HB1 ASN 63 2.045 -0.780 10.116 433 2HB ASN 63 HB2 ASN 63 2.782 0.130 8.798 434 1HD2 ASN 63 HD22 ASN 63 1.226 2.110 12.023 435 2HD2 ASN 63 HD21 ASN 63 0.942 0.448 11.824 436 H THR 64 HN THR 64 -0.657 1.516 10.123 437 HA THR 64 HA THR 64 -2.401 1.319 11.679 438 HB THR 64 HB THR 64 -3.901 -0.842 10.819 439 HG1 THR 64 HG1 THR 64 -3.430 -1.188 8.812 440 1HG2 THR 64 HG21 THR 64 -3.920 2.019 10.841 441 2HG2 THR 64 HG23 THR 64 -4.590 1.453 9.311 442 3HG2 THR 64 HG22 THR 64 -5.291 0.909 10.835 443 H TYR 65 HN TYR 65 -3.609 -0.533 13.025 444 HA TYR 65 HA TYR 65 -2.000 -1.544 14.907 445 1HB TYR 65 HB1 TYR 65 -4.260 -1.890 15.320 446 2HB TYR 65 HB2 TYR 65 -4.529 -2.691 13.781 447 HD1 TYR 65 HD1 TYR 65 -3.909 -5.056 13.462 448 HD2 TYR 65 HD2 TYR 65 -3.313 -3.073 17.228 449 HE1 TYR 65 HE1 TYR 65 -3.564 -7.252 14.563 450 HE2 TYR 65 HE2 TYR 65 -2.968 -5.270 18.329 451 HH TYR 65 HH TYR 65 -2.527 -8.173 16.544 452 HA PRO 66 HA PRO 66 -0.927 -5.579 12.589 453 1HB PRO 66 HB1 PRO 66 -1.674 -5.750 9.944 454 2HB PRO 66 HB2 PRO 66 -2.665 -6.342 11.289 455 1HG PRO 66 HG1 PRO 66 -2.982 -3.863 9.634 456 2HG PRO 66 HG2 PRO 66 -4.222 -4.837 10.439 457 1HD PRO 66 HD1 PRO 66 -3.182 -2.397 11.385 458 2HD PRO 66 HD2 PRO 66 -4.093 -3.571 12.348 No H/Q in entry = 458 No H/Q in entry = 458
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