NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
1074 | 1a3p | 4201 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H PRO 4 1H PRO 4 2.466 -0.014 -0.074 2 2H PRO 4 2H PRO 4 1.978 1.567 -0.507 3 HA PRO 4 HA PRO 4 1.837 0.929 -2.620 4 1HB PRO 4 2HB PRO 4 4.280 -0.209 -3.405 5 2HB PRO 4 1HB PRO 4 4.006 1.536 -3.288 6 1HG PRO 4 2HG PRO 4 5.208 -0.347 -1.229 7 2HG PRO 4 1HG PRO 4 5.784 1.250 -1.718 8 1HD PRO 4 2HD PRO 4 4.365 0.971 0.551 9 2HD PRO 4 1HD PRO 4 4.072 2.367 -0.495 10 H GLY 5 H GLY 5 0.852 -0.841 -3.560 11 1HA GLY 5 2HA GLY 5 1.255 -3.348 -3.992 12 2HA GLY 5 1HA GLY 5 1.353 -3.462 -2.236 13 1HN ABA 6 HN ABA 6 -0.301 -5.108 -3.356 14 HA ABA 6 HA ABA 6 -2.932 -3.989 -2.634 15 1HB ABA 6 1HB ABA 6 -2.811 -6.035 -4.829 16 2HB ABA 6 2HB ABA 6 -2.166 -4.474 -5.233 17 1HG ABA 6 1HG ABA 6 -4.330 -3.390 -4.545 18 2HG ABA 6 2HG ABA 6 -4.979 -4.976 -4.151 19 3HG ABA 6 3HG ABA 6 -4.576 -4.573 -5.814 20 HA PRO 7 HA PRO 7 -2.438 -8.455 -0.838 21 1HB PRO 7 2HB PRO 7 -1.946 -7.176 1.814 22 2HB PRO 7 1HB PRO 7 -1.151 -8.566 1.081 23 1HG PRO 7 2HG PRO 7 0.085 -6.104 1.264 24 2HG PRO 7 1HG PRO 7 0.423 -7.223 -0.043 25 1HD PRO 7 2HD PRO 7 -1.337 -4.738 -0.136 26 2HD PRO 7 1HD PRO 7 -0.287 -5.449 -1.366 27 H SER 8 H SER 8 -3.514 -5.541 0.565 28 HA SER 8 HA SER 8 -5.474 -5.753 2.247 29 1HB SER 8 2HB SER 8 -5.038 -3.665 0.866 30 2HB SER 8 1HB SER 8 -6.095 -4.330 -0.386 31 HG SER 8 HG SER 8 -7.424 -4.625 1.871 32 H SER 9 H SER 9 -6.139 -6.849 -1.063 33 HA SER 9 HA SER 9 -8.295 -8.523 -0.018 34 1HB SER 9 2HB SER 9 -9.617 -6.579 -0.711 35 2HB SER 9 1HB SER 9 -8.668 -6.406 -2.198 36 HG SER 9 HG SER 9 -10.009 -7.769 -3.062 37 H TYR 10 H TYR 10 -8.088 -10.477 -0.933 38 HA TYR 10 HA TYR 10 -6.750 -10.712 -3.505 39 1HB TYR 10 2HB TYR 10 -6.078 -13.045 -2.527 40 2HB TYR 10 1HB TYR 10 -5.180 -11.669 -1.934 41 HD1 TYR 10 HD2 TYR 10 -7.962 -13.965 -1.106 42 HD2 TYR 10 HD1 TYR 10 -5.212 -11.061 0.378 43 HE1 TYR 10 HE2 TYR 10 -8.585 -14.544 1.189 44 HE2 TYR 10 HE1 TYR 10 -5.846 -11.658 2.675 45 HH TYR 10 HH TYR 10 -7.090 -14.266 3.595 46 H ASP 11 H ASP 11 -9.422 -10.233 -3.009 47 HA ASP 11 HA ASP 11 -10.798 -12.758 -3.464 48 1HB ASP 11 2HB ASP 11 -11.522 -10.139 -2.261 49 2HB ASP 11 1HB ASP 11 -12.720 -10.648 -3.434 50 H GLY 12 H GLY 12 -11.515 -13.174 -5.529 51 1HA GLY 12 2HA GLY 12 -11.420 -12.990 -7.909 52 2HA GLY 12 1HA GLY 12 -12.353 -11.530 -7.581 53 H TYR 13 H TYR 13 -9.118 -12.230 -6.672 54 HA TYR 13 HA TYR 13 -8.031 -9.792 -7.936 55 1HB TYR 13 2HB TYR 13 -7.690 -10.405 -5.489 56 2HB TYR 13 1HB TYR 13 -6.751 -11.806 -5.998 57 HD1 TYR 13 HD1 TYR 13 -4.655 -11.397 -7.420 58 HD2 TYR 13 HD2 TYR 13 -6.637 -8.282 -5.291 59 HE1 TYR 13 HE1 TYR 13 -2.644 -10.043 -7.548 60 HE2 TYR 13 HE2 TYR 13 -4.610 -6.936 -5.414 61 HH TYR 13 HH TYR 13 -1.656 -8.115 -6.046 62 H CYS 14 H CYS 14 -8.105 -13.075 -8.623 63 HA CYS 14 HA CYS 14 -5.965 -12.728 -10.680 64 1HB CYS 14 2HB CYS 14 -6.644 -15.279 -9.288 65 2HB CYS 14 1HB CYS 14 -5.179 -14.921 -10.187 66 H LEU 15 H LEU 15 -6.412 -13.974 -12.592 67 HA LEU 15 HA LEU 15 -9.335 -14.396 -12.987 68 1HB LEU 15 2HB LEU 15 -7.144 -13.392 -14.709 69 2HB LEU 15 1HB LEU 15 -8.209 -14.474 -15.534 70 HG LEU 15 HG LEU 15 -10.125 -12.911 -14.544 71 1HD1 LEU 15 1HD1 LEU 15 -7.617 -11.181 -14.618 72 2HD1 LEU 15 3HD1 LEU 15 -9.236 -10.554 -14.418 73 3HD1 LEU 15 2HD1 LEU 15 -8.535 -11.580 -13.176 74 1HD2 LEU 15 2HD2 LEU 15 -8.534 -12.978 -17.040 75 2HD2 LEU 15 1HD2 LEU 15 -10.230 -12.630 -16.844 76 3HD2 LEU 15 3HD2 LEU 15 -9.054 -11.342 -16.703 77 H ASN 16 H ASN 16 -6.376 -16.075 -13.437 78 HA ASN 16 HA ASN 16 -7.901 -18.547 -13.918 79 1HB ASN 16 2HB ASN 16 -5.991 -17.356 -15.883 80 2HB ASN 16 1HB ASN 16 -6.157 -19.118 -15.762 81 1HD2 ASN 16 2HD2 ASN 16 -9.276 -16.956 -17.178 82 2HD2 ASN 16 1HD2 ASN 16 -8.172 -16.219 -16.130 83 H GLY 17 H GLY 17 -4.402 -18.239 -14.512 84 1HA GLY 17 2HA GLY 17 -3.778 -20.714 -13.274 85 2HA GLY 17 1HA GLY 17 -2.607 -19.460 -13.615 86 H GLY 18 H GLY 18 -4.131 -17.581 -12.258 87 1HA GLY 18 2HA GLY 18 -3.409 -16.471 -10.246 88 2HA GLY 18 1HA GLY 18 -4.993 -17.138 -9.989 89 H VAL 19 H VAL 19 -1.584 -18.070 -9.550 90 HA VAL 19 HA VAL 19 -2.428 -19.446 -7.087 91 HB VAL 19 HB VAL 19 -0.105 -19.548 -9.069 92 1HG1 VAL 19 3HG1 VAL 19 0.307 -20.033 -6.110 93 2HG1 VAL 19 2HG1 VAL 19 1.331 -20.799 -7.323 94 3HG1 VAL 19 1HG1 VAL 19 1.276 -19.050 -7.195 95 1HG2 VAL 19 1HG2 VAL 19 -1.814 -21.311 -9.058 96 2HG2 VAL 19 3HG2 VAL 19 -0.238 -21.979 -8.695 97 3HG2 VAL 19 2HG2 VAL 19 -1.403 -21.734 -7.400 98 1HN ABA 20 HN ABA 20 -2.905 -17.919 -5.912 99 HA ABA 20 HA ABA 20 -1.867 -15.313 -5.690 100 1HB ABA 20 1HB ABA 20 -3.434 -17.125 -3.844 101 2HB ABA 20 2HB ABA 20 -4.027 -15.955 -4.977 102 1HG ABA 20 1HG ABA 20 -3.877 -14.314 -3.269 103 2HG ABA 20 2HG ABA 20 -2.202 -14.724 -2.934 104 3HG ABA 20 3HG ABA 20 -3.482 -15.613 -2.173 105 H MET 21 H MET 21 0.296 -15.179 -5.507 106 HA MET 21 HA MET 21 1.486 -16.244 -2.994 107 1HB MET 21 2HB MET 21 3.466 -16.825 -4.160 108 2HB MET 21 1HB MET 21 2.169 -17.363 -5.197 109 1HG MET 21 2HG MET 21 3.222 -16.288 -6.847 110 2HG MET 21 1HG MET 21 2.623 -14.812 -6.160 111 1HE MET 21 1HE MET 21 5.139 -17.492 -5.878 112 2HE MET 21 3HE MET 21 6.357 -16.670 -6.848 113 3HE MET 21 2HE MET 21 6.541 -16.770 -5.102 114 H HIS 22 H HIS 22 2.422 -14.862 -1.737 115 HA HIS 22 HA HIS 22 2.166 -12.065 -2.283 116 1HB HIS 22 2HB HIS 22 2.059 -13.152 -0.085 117 2HB HIS 22 1HB HIS 22 3.830 -13.371 -0.185 118 HD1 HIS 22 HD1 HIS 22 3.246 -10.201 -1.601 119 HD2 HIS 22 HD2 HIS 22 3.231 -11.684 2.286 120 HE1 HIS 22 HE1 HIS 22 3.566 -8.326 -0.026 121 H ILE 23 H ILE 23 3.482 -10.972 -3.622 122 HA ILE 23 HA ILE 23 6.181 -11.965 -4.104 123 HB ILE 23 HB ILE 23 4.132 -11.347 -5.818 124 1HG1 ILE 23 2HG1 ILE 23 6.355 -10.590 -7.266 125 2HG1 ILE 23 1HG1 ILE 23 7.030 -11.635 -6.047 126 1HG2 ILE 23 3HG2 ILE 23 4.449 -8.890 -4.934 127 2HG2 ILE 23 2HG2 ILE 23 5.786 -8.835 -6.041 128 3HG2 ILE 23 1HG2 ILE 23 4.157 -9.131 -6.642 129 1HD1 ILE 23 3HD1 ILE 23 4.766 -13.039 -6.968 130 2HD1 ILE 23 2HD1 ILE 23 5.445 -12.332 -8.415 131 3HD1 ILE 23 1HD1 ILE 23 6.429 -13.367 -7.396 132 H GLU 24 H GLU 24 5.262 -10.440 -1.767 133 HA GLU 24 HA GLU 24 5.770 -7.782 -1.617 134 1HB GLU 24 2HB GLU 24 5.849 -9.811 0.360 135 2HB GLU 24 1HB GLU 24 7.516 -9.312 0.350 136 1HG GLU 24 2HG GLU 24 5.268 -7.259 0.633 137 2HG GLU 24 1HG GLU 24 6.023 -8.027 2.008 138 H SER 25 H SER 25 7.995 -10.225 -1.802 139 HA SER 25 HA SER 25 10.490 -9.490 -1.737 140 1HB SER 25 2HB SER 25 9.441 -10.843 -4.251 141 2HB SER 25 1HB SER 25 10.871 -11.320 -3.314 142 HG SER 25 HG SER 25 9.500 -12.523 -2.192 143 H LEU 26 H LEU 26 8.554 -8.785 -4.371 144 HA LEU 26 HA LEU 26 10.435 -6.730 -5.416 145 1HB LEU 26 2HB LEU 26 8.473 -7.198 -7.412 146 2HB LEU 26 1HB LEU 26 10.176 -7.574 -7.506 147 HG LEU 26 HG LEU 26 8.159 -9.290 -6.158 148 1HD1 LEU 26 3HD1 LEU 26 9.030 -9.279 -9.112 149 2HD1 LEU 26 2HD1 LEU 26 8.171 -10.631 -8.405 150 3HD1 LEU 26 1HD1 LEU 26 7.400 -9.058 -8.504 151 1HD2 LEU 26 1HD2 LEU 26 10.733 -9.700 -5.856 152 2HD2 LEU 26 3HD2 LEU 26 9.836 -11.094 -6.442 153 3HD2 LEU 26 2HD2 LEU 26 10.777 -10.118 -7.553 154 H ASP 27 H ASP 27 7.138 -7.478 -4.618 155 HA ASP 27 HA ASP 27 6.621 -4.589 -4.478 156 1HB ASP 27 2HB ASP 27 5.167 -6.462 -6.380 157 2HB ASP 27 1HB ASP 27 4.391 -4.993 -5.827 158 H SER 28 H SER 28 4.225 -7.112 -4.627 159 HA SER 28 HA SER 28 3.674 -6.967 -1.703 160 1HB SER 28 2HB SER 28 1.809 -5.633 -1.721 161 2HB SER 28 1HB SER 28 2.781 -4.846 -2.953 162 HG SER 28 HG SER 28 1.493 -5.604 -4.503 163 H TYR 29 H TYR 29 0.879 -7.581 -2.795 164 HA TYR 29 HA TYR 29 1.463 -10.540 -3.022 165 1HB TYR 29 2HB TYR 29 -0.202 -10.535 -1.341 166 2HB TYR 29 1HB TYR 29 -0.811 -8.964 -1.861 167 HD1 TYR 29 HD2 TYR 29 -0.470 -12.389 -3.333 168 HD2 TYR 29 HD1 TYR 29 -3.074 -9.052 -2.736 169 HE1 TYR 29 HE2 TYR 29 -2.207 -13.485 -4.606 170 HE2 TYR 29 HE1 TYR 29 -4.796 -10.198 -3.990 171 HH TYR 29 HH TYR 29 -4.168 -13.130 -5.780 172 H THR 30 H THR 30 0.998 -11.714 -4.659 173 HA THR 30 HA THR 30 -0.633 -10.579 -6.796 174 HB THR 30 HB THR 30 1.968 -10.012 -6.642 175 HG1 THR 30 HG1 THR 30 1.098 -9.236 -8.495 176 1HG2 THR 30 3HG2 THR 30 2.598 -12.534 -6.936 177 2HG2 THR 30 2HG2 THR 30 2.035 -12.384 -8.596 178 3HG2 THR 30 1HG2 THR 30 3.362 -11.391 -8.032 179 H CYS 31 H CYS 31 -0.270 -12.269 -8.682 180 HA CYS 31 HA CYS 31 -0.631 -14.974 -7.450 181 1HB CYS 31 2HB CYS 31 -2.508 -13.350 -8.971 182 2HB CYS 31 1HB CYS 31 -2.141 -14.792 -9.860 183 H ASN 32 H ASN 32 -0.048 -16.694 -8.834 184 HA ASN 32 HA ASN 32 1.927 -15.924 -10.994 185 1HB ASN 32 2HB ASN 32 2.935 -17.388 -9.123 186 2HB ASN 32 1HB ASN 32 1.682 -18.586 -9.448 187 1HD2 ASN 32 2HD2 ASN 32 4.128 -19.855 -11.722 188 2HD2 ASN 32 1HD2 ASN 32 3.471 -20.081 -10.166 189 H CYS 33 H CYS 33 0.994 -16.071 -12.816 190 HA CYS 33 HA CYS 33 -1.417 -17.734 -13.086 191 1HB CYS 33 2HB CYS 33 -0.289 -15.565 -14.936 192 2HB CYS 33 1HB CYS 33 -1.786 -16.385 -15.069 193 H VAL 34 H VAL 34 -1.601 -18.835 -15.190 194 HA VAL 34 HA VAL 34 0.639 -20.543 -15.375 195 HB VAL 34 HB VAL 34 -1.716 -21.239 -15.947 196 1HG1 VAL 34 2HG1 VAL 34 -2.112 -18.988 -17.069 197 2HG1 VAL 34 1HG1 VAL 34 -1.724 -19.849 -18.547 198 3HG1 VAL 34 3HG1 VAL 34 -3.014 -20.425 -17.509 199 1HG2 VAL 34 3HG2 VAL 34 0.129 -22.554 -17.132 200 2HG2 VAL 34 2HG2 VAL 34 -1.421 -22.535 -17.965 201 3HG2 VAL 34 1HG2 VAL 34 -0.142 -21.508 -18.530 202 H ILE 35 H ILE 35 1.741 -21.109 -17.121 203 HA ILE 35 HA ILE 35 3.592 -19.326 -18.167 204 HB ILE 35 HB ILE 35 4.117 -21.558 -18.386 205 1HG1 ILE 35 2HG1 ILE 35 4.215 -22.034 -20.866 206 2HG1 ILE 35 1HG1 ILE 35 3.311 -20.584 -21.177 207 1HG2 ILE 35 2HG2 ILE 35 1.439 -22.016 -19.769 208 2HG2 ILE 35 1HG2 ILE 35 2.708 -23.210 -19.705 209 3HG2 ILE 35 3HG2 ILE 35 1.978 -22.679 -18.224 210 1HD1 ILE 35 1HD1 ILE 35 5.871 -20.496 -19.506 211 2HD1 ILE 35 3HD1 ILE 35 5.948 -20.460 -21.257 212 3HD1 ILE 35 2HD1 ILE 35 5.102 -19.188 -20.394 213 H GLY 36 H GLY 36 0.428 -19.967 -19.297 214 1HA GLY 36 2HA GLY 36 0.820 -18.322 -21.697 215 2HA GLY 36 1HA GLY 36 -0.570 -19.314 -21.407 216 H TYR 37 H TYR 37 -0.631 -17.934 -18.617 217 HA TYR 37 HA TYR 37 -2.102 -15.499 -19.493 218 1HB TYR 37 2HB TYR 37 -2.508 -17.024 -16.929 219 2HB TYR 37 1HB TYR 37 -3.566 -15.845 -17.667 220 HD1 TYR 37 HD1 TYR 37 -3.171 -17.439 -20.574 221 HD2 TYR 37 HD2 TYR 37 -4.489 -18.415 -16.678 222 HE1 TYR 37 HE1 TYR 37 -4.634 -19.159 -21.474 223 HE2 TYR 37 HE2 TYR 37 -5.977 -20.146 -17.617 224 HH TYR 37 HH TYR 37 -7.064 -20.647 -19.733 225 H SER 38 H SER 38 -1.172 -13.657 -18.963 226 HA SER 38 HA SER 38 0.599 -13.779 -16.573 227 1HB SER 38 2HB SER 38 2.018 -14.103 -18.569 228 2HB SER 38 1HB SER 38 1.381 -12.635 -19.322 229 HG SER 38 HG SER 38 3.274 -12.896 -17.358 230 H GLY 39 H GLY 39 1.349 -11.006 -17.747 231 1HA GLY 39 2HA GLY 39 0.771 -8.774 -17.332 232 2HA GLY 39 1HA GLY 39 -0.918 -9.277 -17.374 233 H ASP 40 H ASP 40 0.482 -11.235 -15.137 234 HA ASP 40 HA ASP 40 0.965 -11.082 -12.815 235 1HB ASP 40 2HB ASP 40 1.226 -8.472 -13.323 236 2HB ASP 40 1HB ASP 40 -0.383 -8.400 -12.642 237 H ARG 41 H ARG 41 -1.919 -11.009 -14.390 238 HA ARG 41 HA ARG 41 -3.366 -11.848 -11.974 239 1HB ARG 41 2HB ARG 41 -3.673 -9.294 -13.109 240 2HB ARG 41 1HB ARG 41 -4.977 -10.175 -13.842 241 1HG ARG 41 2HG ARG 41 -4.733 -10.672 -10.964 242 2HG ARG 41 1HG ARG 41 -4.887 -8.972 -11.359 243 1HD ARG 41 2HD ARG 41 -6.757 -10.412 -12.916 244 2HD ARG 41 1HD ARG 41 -6.967 -10.863 -11.245 245 HE ARG 41 HE ARG 41 -7.035 -8.041 -12.240 246 1HH1 ARG 41 2HH1 ARG 41 -6.493 -7.609 -9.685 247 2HH1 ARG 41 1HH1 ARG 41 -7.965 -7.738 -8.780 248 1HH2 ARG 41 1HH2 ARG 41 -9.431 -9.601 -11.406 249 2HH2 ARG 41 2HH2 ARG 41 -9.743 -9.025 -9.807 250 H CYS 42 H CYS 42 -2.436 -12.649 -14.938 251 HA CYS 42 HA CYS 42 -3.055 -14.146 -16.442 252 1HB CYS 42 2HB CYS 42 -5.383 -15.380 -15.040 253 2HB CYS 42 1HB CYS 42 -3.899 -16.135 -15.542 254 H GLN 43 H GLN 43 -4.101 -11.720 -16.299 255 HA GLN 43 HA GLN 43 -6.947 -11.709 -17.061 256 1HB GLN 43 2HB GLN 43 -6.538 -9.240 -17.258 257 2HB GLN 43 1HB GLN 43 -6.070 -9.860 -15.675 258 1HG GLN 43 2HG GLN 43 -3.762 -10.134 -17.337 259 2HG GLN 43 1HG GLN 43 -4.449 -8.561 -17.708 260 1HE2 GLN 43 2HE2 GLN 43 -2.189 -8.996 -14.619 261 2HE2 GLN 43 1HE2 GLN 43 -2.314 -10.144 -15.889 262 H THR 44 H THR 44 -3.860 -11.726 -18.335 263 HA THR 44 HA THR 44 -4.859 -11.357 -21.128 264 HB THR 44 HB THR 44 -3.110 -9.747 -20.104 265 HG1 THR 44 HG1 THR 44 -1.842 -10.807 -22.268 266 1HG2 THR 44 2HG2 THR 44 -1.738 -11.632 -19.073 267 2HG2 THR 44 1HG2 THR 44 -1.102 -11.912 -20.684 268 3HG2 THR 44 3HG2 THR 44 -0.868 -10.344 -19.896 269 H ARG 45 H ARG 45 -5.693 -13.357 -20.912 270 HA ARG 45 HA ARG 45 -4.046 -15.619 -20.215 271 1HB ARG 45 2HB ARG 45 -6.740 -15.463 -21.627 272 2HB ARG 45 1HB ARG 45 -6.069 -16.836 -20.810 273 1HG ARG 45 2HG ARG 45 -5.971 -15.445 -18.681 274 2HG ARG 45 1HG ARG 45 -6.872 -14.202 -19.538 275 1HD ARG 45 2HD ARG 45 -7.815 -16.993 -18.840 276 2HD ARG 45 1HD ARG 45 -8.541 -15.432 -18.413 277 HE ARG 45 HE ARG 45 -8.375 -16.394 -21.242 278 1HH1 ARG 45 1HH2 ARG 45 -9.434 -13.745 -20.043 279 2HH1 ARG 45 2HH2 ARG 45 -11.136 -13.963 -20.269 280 1HH2 ARG 45 2HH1 ARG 45 -10.580 -17.419 -20.880 281 2HH2 ARG 45 1HH1 ARG 45 -11.862 -16.249 -20.784 282 H ASP 46 H ASP 46 -2.367 -15.364 -21.582 283 HA ASP 46 HA ASP 46 -2.978 -14.962 -24.410 284 1HB ASP 46 2HB ASP 46 -0.965 -13.817 -23.695 285 2HB ASP 46 1HB ASP 46 -0.349 -15.203 -22.830 286 H LEU 47 H LEU 47 -4.294 -16.904 -23.940 287 HA LEU 47 HA LEU 47 -4.329 -19.327 -23.304 288 1HB LEU 47 2HB LEU 47 -4.781 -18.396 -26.127 289 2HB LEU 47 1HB LEU 47 -5.226 -19.999 -25.601 290 HG LEU 47 HG LEU 47 -6.142 -18.144 -23.532 291 1HD1 LEU 47 2HD1 LEU 47 -6.003 -16.531 -25.580 292 2HD1 LEU 47 1HD1 LEU 47 -7.410 -17.401 -26.162 293 3HD1 LEU 47 3HD1 LEU 47 -7.465 -16.565 -24.621 294 1HD2 LEU 47 2HD2 LEU 47 -7.655 -19.835 -25.561 295 2HD2 LEU 47 1HD2 LEU 47 -7.133 -20.339 -23.962 296 3HD2 LEU 47 3HD2 LEU 47 -8.357 -19.097 -24.129 297 H ARG 48 HN ARG 48 -1.851 -19.568 -22.933 298 HA ARG 48 HA ARG 48 -0.958 -21.628 -24.838 299 1HB ARG 48 2HB ARG 48 0.570 -19.232 -23.769 300 2HB ARG 48 1HB ARG 48 1.478 -20.654 -24.255 301 1HG ARG 48 2HG ARG 48 0.542 -20.540 -26.517 302 2HG ARG 48 1HG ARG 48 -0.572 -19.286 -26.046 303 1HD ARG 48 2HD ARG 48 0.932 -17.696 -26.614 304 2HD ARG 48 1HD ARG 48 1.940 -18.205 -25.290 305 HE ARG 48 HE ARG 48 3.217 -18.307 -27.429 306 1HH1 ARG 48 1HH2 ARG 48 1.272 -19.707 -29.088 307 2HH1 ARG 48 2HH2 ARG 48 1.887 -21.321 -29.149 308 1HH2 ARG 48 1HH1 ARG 48 3.929 -20.719 -26.334 309 2HH2 ARG 48 2HH1 ARG 48 3.514 -21.939 -27.485 No H/Q in entry = 309 Start of MODEL 2 1 1H PRO 4 1H PRO 4 1.253 0.782 -0.908 2 2H PRO 4 2H PRO 4 1.124 2.065 -2.015 3 HA PRO 4 HA PRO 4 2.279 0.952 -3.515 4 1HB PRO 4 2HB PRO 4 4.690 0.105 -2.350 5 2HB PRO 4 1HB PRO 4 4.410 1.703 -3.052 6 1HG PRO 4 2HG PRO 4 4.293 0.861 -0.159 7 2HG PRO 4 1HG PRO 4 4.874 2.374 -0.849 8 1HD PRO 4 2HD PRO 4 2.427 2.194 0.328 9 2HD PRO 4 1HD PRO 4 2.710 3.263 -1.051 10 H GLY 5 H GLY 5 0.745 -0.744 -3.562 11 1HA GLY 5 2HA GLY 5 1.355 -3.286 -3.831 12 2HA GLY 5 1HA GLY 5 1.450 -3.225 -2.071 13 1HN ABA 6 HN ABA 6 -0.207 -4.995 -3.309 14 HA ABA 6 HA ABA 6 -2.877 -3.937 -2.543 15 1HB ABA 6 1HB ABA 6 -2.644 -5.843 -4.856 16 2HB ABA 6 2HB ABA 6 -2.186 -4.189 -5.137 17 1HG ABA 6 1HG ABA 6 -4.431 -3.409 -4.408 18 2HG ABA 6 2HG ABA 6 -4.887 -5.059 -3.997 19 3HG ABA 6 3HG ABA 6 -4.598 -4.617 -5.669 20 HA PRO 7 HA PRO 7 -2.571 -8.313 -0.766 21 1HB PRO 7 2HB PRO 7 -2.068 -7.223 1.934 22 2HB PRO 7 1HB PRO 7 -1.216 -8.508 1.084 23 1HG PRO 7 2HG PRO 7 -0.049 -6.037 1.492 24 2HG PRO 7 1HG PRO 7 0.305 -7.006 0.076 25 1HD PRO 7 2HD PRO 7 -1.690 -4.698 0.289 26 2HD PRO 7 1HD PRO 7 -0.471 -5.014 -0.963 27 H SER 8 H SER 8 -3.667 -5.322 0.431 28 HA SER 8 HA SER 8 -5.621 -5.410 2.155 29 1HB SER 8 2HB SER 8 -5.337 -3.931 -0.359 30 2HB SER 8 1HB SER 8 -7.045 -4.192 -0.006 31 HG SER 8 HG SER 8 -5.431 -2.498 1.224 32 H SER 9 H SER 9 -6.420 -6.643 -1.112 33 HA SER 9 HA SER 9 -8.292 -8.520 0.097 34 1HB SER 9 2HB SER 9 -9.521 -6.303 -0.728 35 2HB SER 9 1HB SER 9 -9.155 -6.907 -2.359 36 HG SER 9 HG SER 9 -10.989 -7.815 -0.596 37 H TYR 10 H TYR 10 -8.385 -10.305 -1.148 38 HA TYR 10 HA TYR 10 -6.756 -10.486 -3.551 39 1HB TYR 10 2HB TYR 10 -6.294 -12.928 -2.529 40 2HB TYR 10 1HB TYR 10 -5.348 -11.589 -1.915 41 HD1 TYR 10 HD1 TYR 10 -8.186 -13.787 -1.204 42 HD2 TYR 10 HD2 TYR 10 -5.780 -10.605 0.300 43 HE1 TYR 10 HE1 TYR 10 -9.164 -14.101 1.018 44 HE2 TYR 10 HE2 TYR 10 -6.765 -10.927 2.525 45 HH TYR 10 HH TYR 10 -9.492 -12.960 3.051 46 H ASP 11 H ASP 11 -9.599 -10.165 -3.124 47 HA ASP 11 HA ASP 11 -10.673 -12.687 -4.106 48 1HB ASP 11 2HB ASP 11 -11.959 -10.148 -3.002 49 2HB ASP 11 1HB ASP 11 -12.911 -11.467 -3.666 50 H GLY 12 H GLY 12 -11.292 -12.825 -6.245 51 1HA GLY 12 2HA GLY 12 -11.489 -12.199 -8.528 52 2HA GLY 12 1HA GLY 12 -12.030 -10.621 -7.926 53 H TYR 13 H TYR 13 -9.080 -11.925 -6.875 54 HA TYR 13 HA TYR 13 -7.539 -9.765 -8.149 55 1HB TYR 13 2HB TYR 13 -7.538 -10.450 -5.627 56 2HB TYR 13 1HB TYR 13 -6.558 -11.846 -6.093 57 HD1 TYR 13 HD2 TYR 13 -4.422 -11.344 -7.477 58 HD2 TYR 13 HD1 TYR 13 -6.494 -8.373 -5.233 59 HE1 TYR 13 HE2 TYR 13 -2.445 -9.968 -7.503 60 HE2 TYR 13 HE1 TYR 13 -4.486 -6.997 -5.240 61 HH TYR 13 HH TYR 13 -1.625 -7.955 -5.675 62 H CYS 14 H CYS 14 -8.102 -13.064 -8.593 63 HA CYS 14 HA CYS 14 -5.922 -13.133 -10.615 64 1HB CYS 14 2HB CYS 14 -6.732 -15.484 -8.891 65 2HB CYS 14 1HB CYS 14 -5.305 -15.294 -9.880 66 H LEU 15 H LEU 15 -6.533 -14.242 -12.447 67 HA LEU 15 HA LEU 15 -9.457 -14.704 -12.768 68 1HB LEU 15 2HB LEU 15 -7.286 -13.786 -14.624 69 2HB LEU 15 1HB LEU 15 -8.467 -14.821 -15.311 70 HG LEU 15 HG LEU 15 -10.162 -12.978 -14.252 71 1HD1 LEU 15 2HD1 LEU 15 -7.461 -11.681 -14.764 72 2HD1 LEU 15 1HD1 LEU 15 -8.891 -10.795 -15.235 73 3HD1 LEU 15 3HD1 LEU 15 -8.698 -11.298 -13.579 74 1HD2 LEU 15 2HD2 LEU 15 -8.708 -13.237 -16.940 75 2HD2 LEU 15 1HD2 LEU 15 -10.331 -13.742 -16.563 76 3HD2 LEU 15 3HD2 LEU 15 -9.962 -12.036 -16.731 77 H ASN 16 H ASN 16 -6.451 -16.282 -13.295 78 HA ASN 16 HA ASN 16 -7.865 -18.832 -13.658 79 1HB ASN 16 2HB ASN 16 -6.013 -17.748 -15.800 80 2HB ASN 16 1HB ASN 16 -6.614 -19.406 -15.737 81 1HD2 ASN 16 2HD2 ASN 16 -9.112 -16.497 -16.924 82 2HD2 ASN 16 1HD2 ASN 16 -7.557 -16.051 -16.370 83 H GLY 17 H GLY 17 -4.392 -18.236 -14.427 84 1HA GLY 17 2HA GLY 17 -3.571 -20.708 -13.249 85 2HA GLY 17 1HA GLY 17 -2.491 -19.391 -13.687 86 H GLY 18 H GLY 18 -4.128 -17.612 -12.208 87 1HA GLY 18 2HA GLY 18 -3.289 -16.465 -10.236 88 2HA GLY 18 1HA GLY 18 -4.850 -17.193 -9.937 89 H VAL 19 H VAL 19 -1.410 -17.990 -9.541 90 HA VAL 19 HA VAL 19 -2.153 -19.410 -7.080 91 HB VAL 19 HB VAL 19 0.240 -19.225 -9.015 92 1HG1 VAL 19 3HG1 VAL 19 0.392 -20.243 -6.187 93 2HG1 VAL 19 2HG1 VAL 19 1.563 -20.696 -7.435 94 3HG1 VAL 19 1HG1 VAL 19 1.378 -19.012 -6.966 95 1HG2 VAL 19 1HG2 VAL 19 -1.746 -21.288 -8.347 96 2HG2 VAL 19 3HG2 VAL 19 -0.761 -21.092 -9.778 97 3HG2 VAL 19 2HG2 VAL 19 -0.112 -21.926 -8.376 98 1HN ABA 20 HN ABA 20 -2.677 -17.921 -5.867 99 HA ABA 20 HA ABA 20 -1.697 -15.296 -5.635 100 1HB ABA 20 1HB ABA 20 -3.265 -17.175 -3.859 101 2HB ABA 20 2HB ABA 20 -3.834 -15.963 -4.935 102 1HG ABA 20 1HG ABA 20 -3.759 -14.441 -3.088 103 2HG ABA 20 2HG ABA 20 -2.052 -14.779 -2.844 104 3HG ABA 20 3HG ABA 20 -3.247 -15.787 -2.095 105 H MET 21 H MET 21 0.465 -15.128 -5.486 106 HA MET 21 HA MET 21 1.775 -16.253 -3.052 107 1HB MET 21 2HB MET 21 3.935 -15.988 -4.396 108 2HB MET 21 1HB MET 21 2.845 -17.246 -4.938 109 1HG MET 21 2HG MET 21 2.055 -15.855 -6.771 110 2HG MET 21 1HG MET 21 2.928 -14.477 -6.165 111 1HE MET 21 3HE MET 21 3.580 -18.204 -7.097 112 2HE MET 21 2HE MET 21 5.219 -18.135 -7.733 113 3HE MET 21 1HE MET 21 4.930 -17.834 -6.023 114 H HIS 22 H HIS 22 2.430 -14.814 -1.624 115 HA HIS 22 HA HIS 22 2.042 -12.032 -2.192 116 1HB HIS 22 2HB HIS 22 1.767 -12.947 0.002 117 2HB HIS 22 1HB HIS 22 3.513 -13.341 0.059 118 HD1 HIS 22 HD1 HIS 22 3.284 -10.170 -1.510 119 HD2 HIS 22 HD2 HIS 22 2.947 -11.519 2.411 120 HE1 HIS 22 HE1 HIS 22 3.661 -8.278 0.027 121 H ILE 23 H ILE 23 3.440 -11.015 -3.564 122 HA ILE 23 HA ILE 23 6.137 -12.064 -3.862 123 HB ILE 23 HB ILE 23 4.170 -11.373 -5.623 124 1HG1 ILE 23 2HG1 ILE 23 6.328 -11.008 -7.154 125 2HG1 ILE 23 1HG1 ILE 23 7.106 -11.750 -5.781 126 1HG2 ILE 23 2HG2 ILE 23 4.659 -8.930 -4.836 127 2HG2 ILE 23 1HG2 ILE 23 6.027 -9.021 -5.911 128 3HG2 ILE 23 3HG2 ILE 23 4.393 -9.227 -6.540 129 1HD1 ILE 23 3HD1 ILE 23 5.147 -13.533 -5.984 130 2HD1 ILE 23 2HD1 ILE 23 4.971 -12.892 -7.608 131 3HD1 ILE 23 1HD1 ILE 23 6.476 -13.632 -7.119 132 H GLU 24 H GLU 24 5.287 -10.442 -1.554 133 HA GLU 24 HA GLU 24 5.972 -7.784 -1.546 134 1HB GLU 24 2HB GLU 24 5.838 -9.733 0.549 135 2HB GLU 24 1HB GLU 24 7.499 -9.223 0.630 136 1HG GLU 24 2HG GLU 24 5.300 -7.107 0.571 137 2HG GLU 24 1HG GLU 24 5.788 -7.868 2.069 138 H SER 25 H SER 25 7.975 -10.424 -1.747 139 HA SER 25 HA SER 25 10.544 -9.782 -1.535 140 1HB SER 25 2HB SER 25 9.600 -11.127 -4.097 141 2HB SER 25 1HB SER 25 10.870 -11.700 -3.003 142 HG SER 25 HG SER 25 9.324 -12.739 -1.965 143 H LEU 26 H LEU 26 8.612 -8.954 -4.123 144 HA LEU 26 HA LEU 26 10.553 -6.953 -5.160 145 1HB LEU 26 2HB LEU 26 8.636 -7.354 -7.204 146 2HB LEU 26 1HB LEU 26 10.326 -7.794 -7.252 147 HG LEU 26 HG LEU 26 8.237 -9.459 -5.941 148 1HD1 LEU 26 1HD1 LEU 26 9.047 -9.392 -8.907 149 2HD1 LEU 26 3HD1 LEU 26 8.199 -10.761 -8.217 150 3HD1 LEU 26 2HD1 LEU 26 7.430 -9.186 -8.253 151 1HD2 LEU 26 2HD2 LEU 26 10.818 -9.949 -5.702 152 2HD2 LEU 26 1HD2 LEU 26 9.877 -11.309 -6.300 153 3HD2 LEU 26 3HD2 LEU 26 10.814 -10.329 -7.407 154 H ASP 27 H ASP 27 7.231 -7.614 -4.392 155 HA ASP 27 HA ASP 27 6.794 -4.716 -4.275 156 1HB ASP 27 2HB ASP 27 5.358 -6.491 -6.277 157 2HB ASP 27 1HB ASP 27 4.594 -5.020 -5.709 158 H SER 28 H SER 28 4.315 -7.160 -4.526 159 HA SER 28 HA SER 28 3.603 -6.876 -1.645 160 1HB SER 28 2HB SER 28 1.802 -5.465 -1.859 161 2HB SER 28 1HB SER 28 2.772 -4.850 -3.187 162 HG SER 28 HG SER 28 1.474 -5.868 -4.639 163 H TYR 29 H TYR 29 0.854 -7.568 -2.702 164 HA TYR 29 HA TYR 29 1.464 -10.506 -2.912 165 1HB TYR 29 2HB TYR 29 -0.233 -10.522 -1.230 166 2HB TYR 29 1HB TYR 29 -0.881 -8.975 -1.769 167 HD1 TYR 29 HD1 TYR 29 -0.465 -12.417 -3.273 168 HD2 TYR 29 HD2 TYR 29 -3.102 -9.130 -2.621 169 HE1 TYR 29 HE1 TYR 29 -2.208 -13.533 -4.534 170 HE2 TYR 29 HE2 TYR 29 -4.820 -10.281 -3.861 171 HH TYR 29 HH TYR 29 -4.278 -13.281 -5.588 172 H THR 30 H THR 30 1.018 -11.673 -4.549 173 HA THR 30 HA THR 30 -0.645 -10.521 -6.653 174 HB THR 30 HB THR 30 1.946 -9.885 -6.504 175 HG1 THR 30 HG1 THR 30 0.756 -9.078 -8.180 176 1HG2 THR 30 3HG2 THR 30 2.621 -12.387 -6.890 177 2HG2 THR 30 2HG2 THR 30 2.038 -12.175 -8.539 178 3HG2 THR 30 1HG2 THR 30 3.362 -11.189 -7.939 179 H CYS 31 H CYS 31 -0.322 -12.133 -8.615 180 HA CYS 31 HA CYS 31 -0.561 -14.881 -7.466 181 1HB CYS 31 2HB CYS 31 -2.556 -13.277 -8.851 182 2HB CYS 31 1HB CYS 31 -2.153 -14.649 -9.831 183 H ASN 32 H ASN 32 0.191 -16.481 -8.806 184 HA ASN 32 HA ASN 32 2.009 -15.532 -11.001 185 1HB ASN 32 2HB ASN 32 3.276 -16.973 -9.361 186 2HB ASN 32 1HB ASN 32 2.019 -18.205 -9.432 187 1HD2 ASN 32 2HD2 ASN 32 4.131 -19.537 -12.028 188 2HD2 ASN 32 1HD2 ASN 32 3.728 -19.748 -10.384 189 H CYS 33 H CYS 33 1.042 -15.971 -12.947 190 HA CYS 33 HA CYS 33 -1.342 -17.707 -12.966 191 1HB CYS 33 2HB CYS 33 -0.325 -15.682 -14.998 192 2HB CYS 33 1HB CYS 33 -1.804 -16.579 -15.023 193 H VAL 34 H VAL 34 -0.178 -17.518 -16.035 194 HA VAL 34 HA VAL 34 1.583 -19.851 -15.722 195 HB VAL 34 HB VAL 34 -0.720 -20.784 -15.687 196 1HG1 VAL 34 3HG1 VAL 34 -1.680 -18.879 -16.994 197 2HG1 VAL 34 2HG1 VAL 34 -1.272 -19.762 -18.459 198 3HG1 VAL 34 1HG1 VAL 34 -2.319 -20.486 -17.271 199 1HG2 VAL 34 1HG2 VAL 34 1.016 -22.144 -16.962 200 2HG2 VAL 34 3HG2 VAL 34 -0.664 -22.441 -17.357 201 3HG2 VAL 34 2HG2 VAL 34 0.305 -21.492 -18.447 202 H ILE 35 H ILE 35 2.336 -20.677 -17.655 203 HA ILE 35 HA ILE 35 3.711 -18.763 -19.196 204 HB ILE 35 HB ILE 35 4.527 -20.965 -19.244 205 1HG1 ILE 35 2HG1 ILE 35 3.029 -20.924 -21.922 206 2HG1 ILE 35 1HG1 ILE 35 4.340 -19.819 -21.599 207 1HG2 ILE 35 1HG2 ILE 35 1.710 -21.879 -19.912 208 2HG2 ILE 35 3HG2 ILE 35 3.083 -22.948 -20.050 209 3HG2 ILE 35 2HG2 ILE 35 2.677 -22.295 -18.493 210 1HD1 ILE 35 3HD1 ILE 35 5.731 -21.976 -20.992 211 2HD1 ILE 35 2HD1 ILE 35 4.475 -22.831 -21.873 212 3HD1 ILE 35 1HD1 ILE 35 5.440 -21.609 -22.679 213 H GLY 36 H GLY 36 0.548 -19.826 -19.308 214 1HA GLY 36 2HA GLY 36 -0.015 -18.631 -21.957 215 2HA GLY 36 1HA GLY 36 -1.075 -19.734 -21.115 216 H TYR 37 H TYR 37 -0.504 -17.805 -18.683 217 HA TYR 37 HA TYR 37 -2.330 -15.600 -19.444 218 1HB TYR 37 2HB TYR 37 -2.569 -16.922 -16.758 219 2HB TYR 37 1HB TYR 37 -3.764 -15.978 -17.610 220 HD1 TYR 37 HD2 TYR 37 -3.785 -17.757 -20.253 221 HD2 TYR 37 HD1 TYR 37 -3.928 -18.725 -16.125 222 HE1 TYR 37 HE2 TYR 37 -4.992 -19.777 -20.779 223 HE2 TYR 37 HE1 TYR 37 -5.150 -20.765 -16.669 224 HH TYR 37 HH TYR 37 -6.774 -21.342 -18.912 225 H SER 38 H SER 38 -1.446 -13.731 -18.963 226 HA SER 38 HA SER 38 0.589 -13.725 -16.765 227 1HB SER 38 2HB SER 38 1.643 -13.840 -19.080 228 2HB SER 38 1HB SER 38 0.967 -12.239 -19.426 229 HG SER 38 HG SER 38 3.079 -12.912 -17.847 230 H GLY 39 H GLY 39 1.259 -10.969 -17.381 231 1HA GLY 39 2HA GLY 39 0.453 -8.728 -17.059 232 2HA GLY 39 1HA GLY 39 -1.151 -9.354 -16.653 233 H ASP 40 H ASP 40 -0.600 -11.164 -15.032 234 HA ASP 40 HA ASP 40 0.539 -11.854 -12.930 235 1HB ASP 40 2HB ASP 40 0.379 -8.838 -12.490 236 2HB ASP 40 1HB ASP 40 0.181 -9.902 -11.129 237 H ARG 41 H ARG 41 -2.247 -11.067 -14.271 238 HA ARG 41 HA ARG 41 -3.868 -11.766 -11.879 239 1HB ARG 41 2HB ARG 41 -4.047 -9.297 -13.321 240 2HB ARG 41 1HB ARG 41 -5.341 -10.253 -13.980 241 1HG ARG 41 2HG ARG 41 -4.963 -10.198 -11.014 242 2HG ARG 41 1HG ARG 41 -5.582 -8.780 -11.789 243 1HD ARG 41 2HD ARG 41 -6.838 -11.140 -12.833 244 2HD ARG 41 1HD ARG 41 -7.090 -11.020 -11.128 245 HE ARG 41 HE ARG 41 -8.743 -9.730 -12.718 246 1HH1 ARG 41 1HH2 ARG 41 -6.851 -7.667 -13.346 247 2HH1 ARG 41 2HH2 ARG 41 -7.206 -6.402 -12.211 248 1HH2 ARG 41 2HH1 ARG 41 -8.983 -8.686 -10.203 249 2HH2 ARG 41 1HH1 ARG 41 -8.524 -7.020 -10.301 250 H CYS 42 H CYS 42 -2.836 -12.610 -14.837 251 HA CYS 42 HA CYS 42 -3.298 -14.186 -16.347 252 1HB CYS 42 2HB CYS 42 -5.561 -15.457 -14.877 253 2HB CYS 42 1HB CYS 42 -4.127 -16.182 -15.536 254 H GLN 43 H GLN 43 -4.412 -11.939 -16.349 255 HA GLN 43 HA GLN 43 -7.247 -11.940 -17.213 256 1HB GLN 43 2HB GLN 43 -6.615 -9.425 -17.733 257 2HB GLN 43 1HB GLN 43 -6.738 -9.897 -16.060 258 1HG GLN 43 2HG GLN 43 -4.575 -8.979 -15.845 259 2HG GLN 43 1HG GLN 43 -3.993 -10.383 -16.592 260 1HE2 GLN 43 2HE2 GLN 43 -2.576 -8.556 -19.002 261 2HE2 GLN 43 1HE2 GLN 43 -2.568 -9.866 -17.903 262 H THR 44 H THR 44 -4.056 -11.591 -18.366 263 HA THR 44 HA THR 44 -4.943 -11.543 -21.217 264 HB THR 44 HB THR 44 -3.189 -9.926 -20.652 265 HG1 THR 44 HG1 THR 44 -2.196 -10.481 -22.460 266 1HG2 THR 44 3HG2 THR 44 -2.282 -11.701 -18.780 267 2HG2 THR 44 2HG2 THR 44 -1.133 -11.961 -20.066 268 3HG2 THR 44 1HG2 THR 44 -1.317 -10.357 -19.373 269 H ARG 45 H ARG 45 -5.802 -13.599 -21.065 270 HA ARG 45 HA ARG 45 -4.136 -15.866 -20.336 271 1HB ARG 45 2HB ARG 45 -6.793 -15.924 -21.826 272 2HB ARG 45 1HB ARG 45 -6.142 -17.085 -20.719 273 1HG ARG 45 2HG ARG 45 -6.301 -15.505 -18.854 274 2HG ARG 45 1HG ARG 45 -7.011 -14.298 -19.884 275 1HD ARG 45 2HD ARG 45 -8.258 -16.997 -19.171 276 2HD ARG 45 1HD ARG 45 -8.699 -15.427 -18.523 277 HE ARG 45 HE ARG 45 -10.227 -16.086 -20.351 278 1HH1 ARG 45 1HH2 ARG 45 -8.684 -13.417 -20.666 279 2HH1 ARG 45 2HH2 ARG 45 -8.511 -13.362 -22.390 280 1HH2 ARG 45 2HH1 ARG 45 -9.446 -16.760 -22.647 281 2HH2 ARG 45 1HH1 ARG 45 -8.955 -15.392 -23.591 282 H ASP 46 H ASP 46 -2.500 -15.368 -21.653 283 HA ASP 46 HA ASP 46 -2.722 -14.670 -24.335 284 1HB ASP 46 2HB ASP 46 -0.537 -14.608 -23.057 285 2HB ASP 46 1HB ASP 46 -0.493 -16.370 -23.062 286 H LEU 47 H LEU 47 -2.949 -17.554 -22.699 287 HA LEU 47 HA LEU 47 -4.017 -19.559 -23.087 288 1HB LEU 47 2HB LEU 47 -4.744 -18.154 -25.427 289 2HB LEU 47 1HB LEU 47 -3.838 -19.437 -26.152 290 HG LEU 47 HG LEU 47 -6.206 -20.022 -26.059 291 1HD1 LEU 47 3HD1 LEU 47 -4.757 -21.956 -25.554 292 2HD1 LEU 47 2HD1 LEU 47 -4.830 -21.606 -23.835 293 3HD1 LEU 47 1HD1 LEU 47 -6.272 -22.079 -24.706 294 1HD2 LEU 47 2HD2 LEU 47 -6.099 -18.767 -23.365 295 2HD2 LEU 47 1HD2 LEU 47 -7.404 -18.867 -24.518 296 3HD2 LEU 47 3HD2 LEU 47 -7.095 -20.213 -23.446 297 H ARG 48 HN ARG 48 -3.009 -21.006 -25.664 298 HA ARG 48 HA ARG 48 -1.411 -22.774 -25.758 299 1HB ARG 48 2HB ARG 48 0.803 -21.719 -26.485 300 2HB ARG 48 1HB ARG 48 -0.593 -21.115 -27.351 301 1HG ARG 48 2HG ARG 48 -0.635 -19.059 -26.048 302 2HG ARG 48 1HG ARG 48 0.518 -19.664 -24.894 303 1HD ARG 48 2HD ARG 48 0.983 -18.416 -27.535 304 2HD ARG 48 1HD ARG 48 1.988 -18.437 -26.097 305 HE ARG 48 HE ARG 48 2.752 -20.739 -26.771 306 1HH1 ARG 48 1HH1 ARG 48 1.207 -21.796 -28.719 307 2HH1 ARG 48 2HH1 ARG 48 1.834 -21.291 -30.245 308 1HH2 ARG 48 1HH2 ARG 48 3.583 -18.633 -28.700 309 2HH2 ARG 48 2HH2 ARG 48 3.280 -19.360 -30.239 No H/Q in entry = 309 Start of MODEL 3 1 1H PRO 4 1H PRO 4 3.205 -0.091 -4.477 2 2H PRO 4 2H PRO 4 2.561 1.316 -5.196 3 HA PRO 4 HA PRO 4 1.418 0.039 -6.593 4 1HB PRO 4 2HB PRO 4 3.659 -1.661 -7.583 5 2HB PRO 4 1HB PRO 4 2.710 -0.478 -8.498 6 1HG PRO 4 2HG PRO 4 5.305 -0.045 -7.739 7 2HG PRO 4 1HG PRO 4 4.147 1.257 -8.004 8 1HD PRO 4 2HD PRO 4 5.170 0.140 -5.422 9 2HD PRO 4 1HD PRO 4 4.643 1.783 -5.801 10 H GLY 5 H GLY 5 0.298 -2.021 -6.534 11 1HA GLY 5 2HA GLY 5 0.849 -4.503 -5.890 12 2HA GLY 5 1HA GLY 5 1.277 -3.768 -4.346 13 1HN ABA 6 HN ABA 6 -0.526 -5.610 -4.075 14 HA ABA 6 HA ABA 6 -2.958 -4.031 -3.455 15 1HB ABA 6 1HB ABA 6 -4.109 -6.330 -4.527 16 2HB ABA 6 2HB ABA 6 -2.712 -6.101 -5.541 17 1HG ABA 6 1HG ABA 6 -5.197 -4.549 -5.523 18 2HG ABA 6 2HG ABA 6 -3.913 -4.594 -6.721 19 3HG ABA 6 3HG ABA 6 -3.804 -3.493 -5.365 20 HA PRO 7 HA PRO 7 -2.460 -7.907 -0.702 21 1HB PRO 7 2HB PRO 7 -0.797 -7.302 1.357 22 2HB PRO 7 1HB PRO 7 -0.211 -7.864 -0.201 23 1HG PRO 7 2HG PRO 7 -0.263 -5.044 0.864 24 2HG PRO 7 1HG PRO 7 0.952 -5.818 -0.132 25 1HD PRO 7 2HD PRO 7 -1.120 -4.120 -1.131 26 2HD PRO 7 1HD PRO 7 -0.213 -5.261 -2.128 27 H SER 8 H SER 8 -4.019 -5.450 -0.623 28 HA SER 8 HA SER 8 -4.921 -5.349 2.214 29 1HB SER 8 2HB SER 8 -4.474 -3.172 0.728 30 2HB SER 8 1HB SER 8 -6.012 -3.576 -0.038 31 HG SER 8 HG SER 8 -6.509 -3.825 2.510 32 H SER 9 H SER 9 -5.745 -6.476 -1.006 33 HA SER 9 HA SER 9 -7.995 -7.957 0.102 34 1HB SER 9 2HB SER 9 -9.193 -5.872 -0.509 35 2HB SER 9 1HB SER 9 -8.404 -5.843 -2.092 36 HG SER 9 HG SER 9 -10.022 -7.046 -2.689 37 H TYR 10 H TYR 10 -8.082 -9.879 -0.978 38 HA TYR 10 HA TYR 10 -6.721 -10.093 -3.545 39 1HB TYR 10 2HB TYR 10 -6.245 -12.541 -2.625 40 2HB TYR 10 1HB TYR 10 -5.206 -11.249 -2.090 41 HD1 TYR 10 HD2 TYR 10 -8.122 -13.258 -1.115 42 HD2 TYR 10 HD1 TYR 10 -5.087 -10.601 0.244 43 HE1 TYR 10 HE2 TYR 10 -8.714 -13.767 1.225 44 HE2 TYR 10 HE1 TYR 10 -5.683 -11.113 2.567 45 HH TYR 10 HH TYR 10 -6.940 -13.444 3.663 46 H ASP 11 H ASP 11 -9.476 -9.707 -2.603 47 HA ASP 11 HA ASP 11 -10.951 -12.089 -3.171 48 1HB ASP 11 2HB ASP 11 -11.705 -9.131 -2.981 49 2HB ASP 11 1HB ASP 11 -12.896 -10.321 -3.466 50 H GLY 12 H GLY 12 -11.498 -12.863 -5.102 51 1HA GLY 12 2HA GLY 12 -11.220 -13.180 -7.455 52 2HA GLY 12 1HA GLY 12 -12.221 -11.722 -7.482 53 H TYR 13 H TYR 13 -8.935 -12.324 -6.502 54 HA TYR 13 HA TYR 13 -7.950 -10.018 -8.066 55 1HB TYR 13 2HB TYR 13 -7.464 -10.415 -5.607 56 2HB TYR 13 1HB TYR 13 -6.537 -11.859 -6.035 57 HD1 TYR 13 HD1 TYR 13 -4.425 -11.650 -7.266 58 HD2 TYR 13 HD2 TYR 13 -6.579 -8.190 -6.058 59 HE1 TYR 13 HE1 TYR 13 -2.440 -10.315 -7.622 60 HE2 TYR 13 HE2 TYR 13 -4.602 -6.854 -6.434 61 HH TYR 13 HH TYR 13 -1.553 -8.084 -6.597 62 H CYS 14 H CYS 14 -8.005 -13.308 -8.456 63 HA CYS 14 HA CYS 14 -5.913 -13.150 -10.585 64 1HB CYS 14 2HB CYS 14 -6.683 -15.619 -8.998 65 2HB CYS 14 1HB CYS 14 -5.307 -15.375 -10.052 66 H LEU 15 H LEU 15 -6.453 -14.628 -12.365 67 HA LEU 15 HA LEU 15 -9.408 -14.897 -12.745 68 1HB LEU 15 2HB LEU 15 -7.465 -13.453 -14.299 69 2HB LEU 15 1HB LEU 15 -7.984 -14.766 -15.277 70 HG LEU 15 HG LEU 15 -10.422 -13.751 -14.439 71 1HD1 LEU 15 1HD1 LEU 15 -8.392 -11.453 -14.647 72 2HD1 LEU 15 3HD1 LEU 15 -10.125 -11.223 -14.621 73 3HD1 LEU 15 2HD1 LEU 15 -9.311 -11.887 -13.227 74 1HD2 LEU 15 2HD2 LEU 15 -8.575 -13.295 -16.786 75 2HD2 LEU 15 1HD2 LEU 15 -10.132 -14.070 -16.775 76 3HD2 LEU 15 3HD2 LEU 15 -10.020 -12.317 -16.707 77 H ASN 16 H ASN 16 -6.428 -16.438 -13.470 78 HA ASN 16 HA ASN 16 -7.830 -19.004 -13.856 79 1HB ASN 16 2HB ASN 16 -5.995 -17.941 -16.046 80 2HB ASN 16 1HB ASN 16 -6.642 -19.577 -15.965 81 1HD2 ASN 16 2HD2 ASN 16 -9.106 -16.528 -16.956 82 2HD2 ASN 16 1HD2 ASN 16 -7.592 -16.187 -16.254 83 H GLY 17 H GLY 17 -4.360 -18.139 -14.489 84 1HA GLY 17 2HA GLY 17 -3.457 -20.717 -13.511 85 2HA GLY 17 1HA GLY 17 -2.426 -19.349 -13.901 86 H GLY 18 H GLY 18 -4.159 -17.693 -12.367 87 1HA GLY 18 2HA GLY 18 -3.454 -16.518 -10.369 88 2HA GLY 18 1HA GLY 18 -4.936 -17.392 -10.077 89 H VAL 19 H VAL 19 -1.440 -18.168 -9.826 90 HA VAL 19 HA VAL 19 -2.087 -19.543 -7.322 91 HB VAL 19 HB VAL 19 0.265 -19.302 -9.295 92 1HG1 VAL 19 2HG1 VAL 19 0.534 -20.125 -6.419 93 2HG1 VAL 19 1HG1 VAL 19 1.633 -20.734 -7.663 94 3HG1 VAL 19 3HG1 VAL 19 1.513 -19.008 -7.358 95 1HG2 VAL 19 3HG2 VAL 19 -1.534 -21.139 -9.431 96 2HG2 VAL 19 2HG2 VAL 19 0.136 -21.646 -9.527 97 3HG2 VAL 19 1HG2 VAL 19 -0.760 -21.857 -8.027 98 1HN ABA 20 HN ABA 20 -2.660 -18.037 -6.096 99 HA ABA 20 HA ABA 20 -1.651 -15.405 -5.859 100 1HB ABA 20 1HB ABA 20 -3.197 -17.253 -4.000 101 2HB ABA 20 2HB ABA 20 -3.803 -16.130 -5.148 102 1HG ABA 20 1HG ABA 20 -3.272 -15.726 -2.361 103 2HG ABA 20 2HG ABA 20 -3.662 -14.437 -3.469 104 3HG ABA 20 3HG ABA 20 -1.978 -14.853 -3.116 105 H MET 21 H MET 21 0.448 -15.040 -5.520 106 HA MET 21 HA MET 21 1.778 -16.383 -3.219 107 1HB MET 21 2HB MET 21 3.931 -16.228 -4.582 108 2HB MET 21 1HB MET 21 2.776 -17.373 -5.222 109 1HG MET 21 2HG MET 21 2.112 -15.859 -6.965 110 2HG MET 21 1HG MET 21 3.020 -14.545 -6.270 111 1HE MET 21 2HE MET 21 2.989 -15.024 -9.151 112 2HE MET 21 1HE MET 21 4.068 -13.825 -8.526 113 3HE MET 21 3HE MET 21 4.669 -15.009 -9.679 114 H HIS 22 H HIS 22 1.999 -14.819 -1.763 115 HA HIS 22 HA HIS 22 1.782 -12.069 -2.448 116 1HB HIS 22 2HB HIS 22 1.362 -12.941 -0.234 117 2HB HIS 22 1HB HIS 22 3.080 -13.403 -0.088 118 HD1 HIS 22 HD1 HIS 22 2.910 -10.137 -1.551 119 HD2 HIS 22 HD2 HIS 22 2.626 -11.696 2.289 120 HE1 HIS 22 HE1 HIS 22 3.322 -8.334 0.074 121 H ILE 23 H ILE 23 3.346 -10.894 -3.522 122 HA ILE 23 HA ILE 23 6.002 -12.074 -3.769 123 HB ILE 23 HB ILE 23 4.175 -11.233 -5.629 124 1HG1 ILE 23 2HG1 ILE 23 6.490 -10.808 -6.944 125 2HG1 ILE 23 1HG1 ILE 23 7.077 -11.755 -5.598 126 1HG2 ILE 23 1HG2 ILE 23 4.643 -8.837 -4.721 127 2HG2 ILE 23 3HG2 ILE 23 6.109 -8.923 -5.653 128 3HG2 ILE 23 2HG2 ILE 23 4.552 -9.057 -6.456 129 1HD1 ILE 23 3HD1 ILE 23 4.766 -13.146 -6.480 130 2HD1 ILE 23 2HD1 ILE 23 5.560 -12.599 -7.948 131 3HD1 ILE 23 1HD1 ILE 23 6.418 -13.603 -6.806 132 H GLU 24 H GLU 24 4.998 -10.513 -1.479 133 HA GLU 24 HA GLU 24 5.704 -7.892 -1.257 134 1HB GLU 24 2HB GLU 24 5.441 -9.935 0.710 135 2HB GLU 24 1HB GLU 24 7.117 -9.508 0.891 136 1HG GLU 24 2HG GLU 24 4.965 -7.330 0.881 137 2HG GLU 24 1HG GLU 24 5.441 -8.152 2.347 138 H SER 25 H SER 25 7.747 -10.504 -1.362 139 HA SER 25 HA SER 25 10.288 -9.892 -1.007 140 1HB SER 25 2HB SER 25 9.524 -11.095 -3.677 141 2HB SER 25 1HB SER 25 10.719 -11.727 -2.537 142 HG SER 25 HG SER 25 9.117 -12.852 -1.731 143 H LEU 26 H LEU 26 8.612 -9.085 -3.793 144 HA LEU 26 HA LEU 26 10.629 -7.050 -4.598 145 1HB LEU 26 2HB LEU 26 8.930 -7.418 -6.820 146 2HB LEU 26 1HB LEU 26 10.605 -7.895 -6.689 147 HG LEU 26 HG LEU 26 8.366 -9.522 -5.592 148 1HD1 LEU 26 2HD1 LEU 26 9.441 -9.517 -8.472 149 2HD1 LEU 26 1HD1 LEU 26 8.430 -10.802 -7.845 150 3HD1 LEU 26 3HD1 LEU 26 7.799 -9.170 -7.967 151 1HD2 LEU 26 1HD2 LEU 26 10.922 -10.050 -5.145 152 2HD2 LEU 26 3HD2 LEU 26 9.995 -11.398 -5.789 153 3HD2 LEU 26 2HD2 LEU 26 11.031 -10.458 -6.840 154 H ASP 27 H ASP 27 7.257 -7.601 -4.017 155 HA ASP 27 HA ASP 27 6.928 -4.685 -4.068 156 1HB ASP 27 2HB ASP 27 5.566 -6.511 -6.080 157 2HB ASP 27 1HB ASP 27 4.758 -5.030 -5.586 158 H SER 28 H SER 28 4.470 -7.081 -4.377 159 HA SER 28 HA SER 28 3.557 -6.785 -1.571 160 1HB SER 28 2HB SER 28 1.788 -5.328 -1.933 161 2HB SER 28 1HB SER 28 2.879 -4.722 -3.148 162 HG SER 28 HG SER 28 1.936 -6.301 -4.598 163 H TYR 29 H TYR 29 0.881 -7.386 -2.864 164 HA TYR 29 HA TYR 29 1.357 -10.351 -3.010 165 1HB TYR 29 2HB TYR 29 -0.345 -10.205 -1.412 166 2HB TYR 29 1HB TYR 29 -0.975 -8.689 -2.063 167 HD1 TYR 29 HD1 TYR 29 -0.456 -12.177 -3.283 168 HD2 TYR 29 HD2 TYR 29 -3.186 -8.908 -2.984 169 HE1 TYR 29 HE1 TYR 29 -2.093 -13.420 -4.545 170 HE2 TYR 29 HE2 TYR 29 -4.824 -10.202 -4.239 171 HH TYR 29 HH TYR 29 -4.011 -13.250 -5.765 172 H THR 30 H THR 30 0.957 -11.551 -4.648 173 HA THR 30 HA THR 30 -0.567 -10.513 -6.901 174 HB THR 30 HB THR 30 1.961 -9.876 -6.717 175 HG1 THR 30 HG1 THR 30 1.227 -9.319 -8.723 176 1HG2 THR 30 1HG2 THR 30 2.652 -12.423 -6.809 177 2HG2 THR 30 3HG2 THR 30 2.230 -12.339 -8.517 178 3HG2 THR 30 2HG2 THR 30 3.494 -11.304 -7.866 179 H CYS 31 H CYS 31 -0.174 -12.168 -8.754 180 HA CYS 31 HA CYS 31 -0.520 -14.916 -7.632 181 1HB CYS 31 2HB CYS 31 -2.487 -13.284 -8.994 182 2HB CYS 31 1HB CYS 31 -2.043 -14.569 -10.082 183 H ASN 32 H ASN 32 0.129 -16.528 -9.039 184 HA ASN 32 HA ASN 32 2.187 -15.712 -11.076 185 1HB ASN 32 2HB ASN 32 2.601 -17.311 -8.832 186 2HB ASN 32 1HB ASN 32 2.213 -18.534 -10.028 187 1HD2 ASN 32 2HD2 ASN 32 5.906 -17.650 -10.169 188 2HD2 ASN 32 1HD2 ASN 32 4.920 -18.013 -8.835 189 H CYS 33 H CYS 33 0.913 -15.593 -12.838 190 HA CYS 33 HA CYS 33 -0.906 -17.803 -13.433 191 1HB CYS 33 2HB CYS 33 -0.391 -15.284 -15.086 192 2HB CYS 33 1HB CYS 33 -1.695 -16.397 -15.144 193 H VAL 34 H VAL 34 -0.710 -18.934 -15.218 194 HA VAL 34 HA VAL 34 1.770 -20.015 -15.891 195 HB VAL 34 HB VAL 34 -0.549 -21.025 -15.867 196 1HG1 VAL 34 2HG1 VAL 34 -1.438 -19.055 -17.230 197 2HG1 VAL 34 1HG1 VAL 34 -1.146 -20.095 -18.607 198 3HG1 VAL 34 3HG1 VAL 34 -2.143 -20.660 -17.303 199 1HG2 VAL 34 2HG2 VAL 34 1.358 -22.216 -17.136 200 2HG2 VAL 34 1HG2 VAL 34 -0.304 -22.665 -17.487 201 3HG2 VAL 34 3HG2 VAL 34 0.551 -21.634 -18.599 202 H ILE 35 H ILE 35 2.390 -20.599 -17.979 203 HA ILE 35 HA ILE 35 3.499 -18.356 -19.367 204 HB ILE 35 HB ILE 35 4.638 -20.443 -19.592 205 1HG1 ILE 35 2HG1 ILE 35 3.200 -20.535 -22.253 206 2HG1 ILE 35 1HG1 ILE 35 4.131 -19.109 -21.854 207 1HG2 ILE 35 2HG2 ILE 35 1.912 -21.631 -20.187 208 2HG2 ILE 35 1HG2 ILE 35 3.360 -22.492 -20.656 209 3HG2 ILE 35 3HG2 ILE 35 3.090 -22.122 -18.974 210 1HD1 ILE 35 3HD1 ILE 35 6.154 -20.543 -21.430 211 2HD1 ILE 35 2HD1 ILE 35 5.233 -21.955 -21.920 212 3HD1 ILE 35 1HD1 ILE 35 5.570 -20.682 -23.075 213 H GLY 36 H GLY 36 0.541 -19.917 -19.487 214 1HA GLY 36 2HA GLY 36 -0.268 -18.781 -22.076 215 2HA GLY 36 1HA GLY 36 -1.223 -19.894 -21.129 216 H TYR 37 H TYR 37 -0.409 -17.752 -18.837 217 HA TYR 37 HA TYR 37 -2.388 -15.670 -19.513 218 1HB TYR 37 2HB TYR 37 -2.549 -16.871 -16.788 219 2HB TYR 37 1HB TYR 37 -3.789 -16.041 -17.705 220 HD1 TYR 37 HD2 TYR 37 -4.132 -17.825 -20.084 221 HD2 TYR 37 HD1 TYR 37 -3.502 -18.860 -16.030 222 HE1 TYR 37 HE2 TYR 37 -5.290 -19.892 -20.465 223 HE2 TYR 37 HE1 TYR 37 -4.696 -20.971 -16.406 224 HH TYR 37 HH TYR 37 -6.374 -21.653 -19.360 225 H SER 38 H SER 38 -1.501 -13.647 -18.943 226 HA SER 38 HA SER 38 0.588 -13.858 -16.760 227 1HB SER 38 2HB SER 38 1.522 -13.616 -19.110 228 2HB SER 38 1HB SER 38 0.840 -11.985 -19.160 229 HG SER 38 HG SER 38 3.018 -12.893 -17.810 230 H GLY 39 H GLY 39 1.176 -11.009 -17.099 231 1HA GLY 39 2HA GLY 39 0.871 -9.145 -15.706 232 2HA GLY 39 1HA GLY 39 -0.633 -9.052 -16.589 233 H ASP 40 H ASP 40 0.824 -10.615 -13.884 234 HA ASP 40 HA ASP 40 0.002 -11.574 -11.933 235 1HB ASP 40 2HB ASP 40 -0.801 -8.681 -11.801 236 2HB ASP 40 1HB ASP 40 -0.671 -9.721 -10.404 237 H ARG 41 H ARG 41 -2.430 -11.217 -13.974 238 HA ARG 41 HA ARG 41 -4.395 -11.908 -11.866 239 1HB ARG 41 2HB ARG 41 -4.376 -9.530 -13.472 240 2HB ARG 41 1HB ARG 41 -5.665 -10.533 -14.132 241 1HG ARG 41 2HG ARG 41 -5.416 -10.073 -11.191 242 2HG ARG 41 1HG ARG 41 -6.282 -8.959 -12.215 243 1HD ARG 41 2HD ARG 41 -7.105 -11.543 -12.965 244 2HD ARG 41 1HD ARG 41 -7.078 -11.478 -11.225 245 HE ARG 41 HE ARG 41 -8.480 -9.370 -12.780 246 1HH1 ARG 41 2HH1 ARG 41 -9.140 -12.213 -11.212 247 2HH1 ARG 41 1HH1 ARG 41 -10.243 -11.505 -10.090 248 1HH2 ARG 41 1HH2 ARG 41 -9.415 -8.257 -11.007 249 2HH2 ARG 41 2HH2 ARG 41 -10.395 -9.219 -9.927 250 H CYS 42 H CYS 42 -3.106 -12.353 -14.971 251 HA CYS 42 HA CYS 42 -3.243 -14.101 -16.407 252 1HB CYS 42 2HB CYS 42 -5.577 -15.391 -15.019 253 2HB CYS 42 1HB CYS 42 -4.209 -16.160 -15.751 254 H GLN 43 H GLN 43 -4.446 -11.768 -16.508 255 HA GLN 43 HA GLN 43 -7.271 -11.961 -17.377 256 1HB GLN 43 2HB GLN 43 -6.629 -9.403 -17.974 257 2HB GLN 43 1HB GLN 43 -7.091 -9.889 -16.360 258 1HG GLN 43 2HG GLN 43 -4.982 -8.441 -16.393 259 2HG GLN 43 1HG GLN 43 -4.637 -10.004 -15.714 260 1HE2 GLN 43 2HE2 GLN 43 -2.005 -10.195 -17.775 261 2HE2 GLN 43 1HE2 GLN 43 -2.667 -10.339 -16.224 262 H THR 44 H THR 44 -4.199 -11.970 -18.563 263 HA THR 44 HA THR 44 -5.080 -11.735 -21.414 264 HB THR 44 HB THR 44 -3.392 -10.061 -20.981 265 HG1 THR 44 HG1 THR 44 -2.343 -10.749 -22.659 266 1HG2 THR 44 3HG2 THR 44 -2.501 -11.615 -18.873 267 2HG2 THR 44 2HG2 THR 44 -1.223 -11.771 -20.056 268 3HG2 THR 44 1HG2 THR 44 -1.742 -10.167 -19.524 269 H ARG 45 H ARG 45 -5.785 -13.839 -21.504 270 HA ARG 45 HA ARG 45 -4.031 -15.968 -20.603 271 1HB ARG 45 2HB ARG 45 -6.629 -16.053 -22.225 272 2HB ARG 45 1HB ARG 45 -5.931 -17.330 -21.298 273 1HG ARG 45 2HG ARG 45 -6.054 -15.371 -19.370 274 2HG ARG 45 1HG ARG 45 -7.426 -14.954 -20.371 275 1HD ARG 45 2HD ARG 45 -6.917 -17.550 -18.856 276 2HD ARG 45 1HD ARG 45 -8.276 -16.431 -18.748 277 HE ARG 45 HE ARG 45 -7.819 -18.080 -21.197 278 1HH1 ARG 45 2HH1 ARG 45 -9.855 -16.959 -22.155 279 2HH1 ARG 45 1HH1 ARG 45 -11.312 -17.390 -21.332 280 1HH2 ARG 45 1HH2 ARG 45 -9.452 -18.576 -18.538 281 2HH2 ARG 45 2HH2 ARG 45 -11.050 -18.386 -19.152 282 H ASP 46 H ASP 46 -2.326 -15.343 -21.761 283 HA ASP 46 HA ASP 46 -2.407 -14.653 -24.455 284 1HB ASP 46 2HB ASP 46 -0.431 -14.429 -22.755 285 2HB ASP 46 1HB ASP 46 -0.008 -16.078 -23.197 286 H LEU 47 H LEU 47 -2.869 -17.451 -22.920 287 HA LEU 47 HA LEU 47 -3.462 -19.541 -23.305 288 1HB LEU 47 2HB LEU 47 -4.069 -18.172 -25.753 289 2HB LEU 47 1HB LEU 47 -3.344 -19.677 -26.262 290 HG LEU 47 HG LEU 47 -5.471 -19.777 -24.089 291 1HD1 LEU 47 3HD1 LEU 47 -6.067 -19.437 -27.057 292 2HD1 LEU 47 2HD1 LEU 47 -7.243 -19.913 -25.837 293 3HD1 LEU 47 1HD1 LEU 47 -6.510 -18.324 -25.771 294 1HD2 LEU 47 2HD2 LEU 47 -4.220 -21.842 -24.857 295 2HD2 LEU 47 1HD2 LEU 47 -5.950 -21.959 -25.124 296 3HD2 LEU 47 3HD2 LEU 47 -4.877 -21.605 -26.467 297 H ARG 48 HN ARG 48 -0.832 -18.583 -24.924 298 HA ARG 48 HA ARG 48 0.699 -20.348 -26.103 299 1HB ARG 48 2HB ARG 48 1.553 -19.225 -23.410 300 2HB ARG 48 1HB ARG 48 2.640 -20.101 -24.456 301 1HG ARG 48 2HG ARG 48 2.176 -18.452 -26.297 302 2HG ARG 48 1HG ARG 48 1.201 -17.528 -25.174 303 1HD ARG 48 2HD ARG 48 3.423 -16.551 -25.094 304 2HD ARG 48 1HD ARG 48 3.267 -17.486 -23.616 305 HE ARG 48 HE ARG 48 4.551 -19.326 -24.830 306 1HH1 ARG 48 1HH1 ARG 48 4.530 -18.349 -27.473 307 2HH1 ARG 48 2HH1 ARG 48 6.019 -17.505 -27.687 308 1HH2 ARG 48 1HH2 ARG 48 6.382 -17.282 -24.154 309 2HH2 ARG 48 2HH2 ARG 48 7.191 -16.860 -25.628 No H/Q in entry = 309 Start of MODEL 4 1 1H PRO 4 1H PRO 4 2.226 -0.877 0.762 2 2H PRO 4 2H PRO 4 1.383 0.586 1.002 3 HA PRO 4 HA PRO 4 0.823 0.625 -1.118 4 1HB PRO 4 2HB PRO 4 3.427 0.139 -2.414 5 2HB PRO 4 1HB PRO 4 2.486 1.629 -2.401 6 1HG PRO 4 2HG PRO 4 4.846 1.160 -0.941 7 2HG PRO 4 1HG PRO 4 3.734 2.496 -0.689 8 1HD PRO 4 2HD PRO 4 4.164 0.115 0.976 9 2HD PRO 4 1HD PRO 4 3.296 1.597 1.374 10 H GLY 5 H GLY 5 0.088 -0.885 -2.663 11 1HA GLY 5 2HA GLY 5 0.699 -3.002 -3.927 12 2HA GLY 5 1HA GLY 5 1.150 -3.657 -2.356 13 1HN ABA 6 HN ABA 6 -0.475 -5.320 -3.144 14 HA ABA 6 HA ABA 6 -3.163 -4.417 -2.253 15 1HB ABA 6 1HB ABA 6 -3.657 -6.564 -4.002 16 2HB ABA 6 2HB ABA 6 -2.297 -5.793 -4.752 17 1HG ABA 6 1HG ABA 6 -3.940 -4.486 -5.712 18 2HG ABA 6 2HG ABA 6 -3.795 -3.563 -4.233 19 3HG ABA 6 3HG ABA 6 -5.082 -4.749 -4.402 20 HA PRO 7 HA PRO 7 -2.731 -8.546 -0.142 21 1HB PRO 7 2HB PRO 7 -1.172 -8.197 2.068 22 2HB PRO 7 1HB PRO 7 -0.571 -8.782 0.522 23 1HG PRO 7 2HG PRO 7 -0.134 -6.105 1.771 24 2HG PRO 7 1HG PRO 7 0.791 -6.901 0.516 25 1HD PRO 7 2HD PRO 7 -1.286 -4.843 0.116 26 2HD PRO 7 1HD PRO 7 -0.328 -5.678 -1.112 27 H SER 8 H SER 8 -4.283 -6.247 -0.063 28 HA SER 8 HA SER 8 -5.222 -6.023 2.766 29 1HB SER 8 2HB SER 8 -4.839 -3.899 1.195 30 2HB SER 8 1HB SER 8 -6.355 -4.390 0.430 31 HG SER 8 HG SER 8 -6.813 -4.573 3.006 32 H SER 9 H SER 9 -6.039 -7.192 -0.420 33 HA SER 9 HA SER 9 -8.044 -8.965 0.596 34 1HB SER 9 2HB SER 9 -9.444 -6.795 0.322 35 2HB SER 9 1HB SER 9 -9.036 -6.850 -1.410 36 HG SER 9 HG SER 9 -10.889 -8.257 -0.185 37 H TYR 10 H TYR 10 -8.532 -10.414 -1.073 38 HA TYR 10 HA TYR 10 -6.964 -10.182 -3.518 39 1HB TYR 10 2HB TYR 10 -6.812 -12.901 -3.037 40 2HB TYR 10 1HB TYR 10 -5.591 -11.790 -2.485 41 HD1 TYR 10 HD1 TYR 10 -8.633 -13.542 -1.439 42 HD2 TYR 10 HD2 TYR 10 -5.269 -11.278 -0.141 43 HE1 TYR 10 HE1 TYR 10 -9.156 -14.100 0.899 44 HE2 TYR 10 HE2 TYR 10 -5.789 -11.834 2.183 45 HH TYR 10 HH TYR 10 -7.234 -12.933 3.596 46 H ASP 11 H ASP 11 -9.914 -10.014 -2.618 47 HA ASP 11 HA ASP 11 -11.258 -12.187 -3.860 48 1HB ASP 11 2HB ASP 11 -13.259 -10.761 -3.751 49 2HB ASP 11 1HB ASP 11 -12.339 -10.471 -2.289 50 H GLY 12 H GLY 12 -11.816 -12.499 -5.989 51 1HA GLY 12 2HA GLY 12 -11.408 -12.410 -8.337 52 2HA GLY 12 1HA GLY 12 -12.115 -10.807 -8.151 53 H TYR 13 H TYR 13 -9.129 -11.929 -6.803 54 HA TYR 13 HA TYR 13 -7.666 -9.730 -8.108 55 1HB TYR 13 2HB TYR 13 -7.580 -10.329 -5.649 56 2HB TYR 13 1HB TYR 13 -6.710 -11.809 -6.097 57 HD1 TYR 13 HD2 TYR 13 -4.426 -11.533 -7.233 58 HD2 TYR 13 HD1 TYR 13 -6.555 -8.192 -5.661 59 HE1 TYR 13 HE2 TYR 13 -2.421 -10.208 -7.334 60 HE2 TYR 13 HE1 TYR 13 -4.523 -6.867 -5.765 61 HH TYR 13 HH TYR 13 -1.455 -8.199 -6.175 62 H CYS 14 H CYS 14 -8.262 -12.909 -8.799 63 HA CYS 14 HA CYS 14 -5.954 -13.002 -10.672 64 1HB CYS 14 2HB CYS 14 -6.983 -15.360 -9.193 65 2HB CYS 14 1HB CYS 14 -5.506 -15.195 -10.112 66 H LEU 15 H LEU 15 -6.452 -14.186 -12.602 67 HA LEU 15 HA LEU 15 -9.386 -14.376 -13.086 68 1HB LEU 15 2HB LEU 15 -7.021 -13.794 -14.761 69 2HB LEU 15 1HB LEU 15 -8.021 -14.996 -15.514 70 HG LEU 15 HG LEU 15 -10.007 -13.265 -14.917 71 1HD1 LEU 15 3HD1 LEU 15 -7.457 -11.616 -15.004 72 2HD1 LEU 15 2HD1 LEU 15 -9.020 -10.896 -15.317 73 3HD1 LEU 15 1HD1 LEU 15 -8.686 -11.603 -13.753 74 1HD2 LEU 15 3HD2 LEU 15 -8.087 -13.361 -17.262 75 2HD2 LEU 15 2HD2 LEU 15 -9.793 -13.752 -17.221 76 3HD2 LEU 15 1HD2 LEU 15 -9.278 -12.082 -17.224 77 H ASN 16 H ASN 16 -6.782 -16.287 -14.309 78 HA ASN 16 HA ASN 16 -8.292 -18.767 -13.780 79 1HB ASN 16 2HB ASN 16 -6.566 -19.493 -15.856 80 2HB ASN 16 1HB ASN 16 -8.297 -19.210 -15.939 81 1HD2 ASN 16 2HD2 ASN 16 -7.919 -16.141 -17.465 82 2HD2 ASN 16 1HD2 ASN 16 -8.989 -17.368 -17.013 83 H GLY 17 H GLY 17 -4.821 -17.893 -14.494 84 1HA GLY 17 2HA GLY 17 -3.799 -20.262 -13.098 85 2HA GLY 17 1HA GLY 17 -2.886 -19.026 -13.926 86 H GLY 18 H GLY 18 -5.323 -18.629 -11.614 87 1HA GLY 18 2HA GLY 18 -3.991 -16.545 -10.165 88 2HA GLY 18 1HA GLY 18 -5.501 -17.299 -9.675 89 H VAL 19 H VAL 19 -1.998 -17.974 -9.755 90 HA VAL 19 HA VAL 19 -2.339 -19.532 -7.305 91 HB VAL 19 HB VAL 19 -0.137 -18.928 -9.377 92 1HG1 VAL 19 3HG1 VAL 19 0.253 -20.415 -6.791 93 2HG1 VAL 19 2HG1 VAL 19 1.354 -20.527 -8.180 94 3HG1 VAL 19 1HG1 VAL 19 1.108 -18.995 -7.366 95 1HG2 VAL 19 3HG2 VAL 19 -2.031 -20.740 -9.637 96 2HG2 VAL 19 2HG2 VAL 19 -0.396 -21.025 -10.209 97 3HG2 VAL 19 1HG2 VAL 19 -0.924 -21.727 -8.683 98 1HN ABA 20 HN ABA 20 -3.038 -18.004 -6.141 99 HA ABA 20 HA ABA 20 -1.937 -15.434 -5.709 100 1HB ABA 20 1HB ABA 20 -3.577 -17.291 -3.949 101 2HB ABA 20 2HB ABA 20 -4.118 -16.136 -5.099 102 1HG ABA 20 1HG ABA 20 -2.261 -14.919 -3.048 103 2HG ABA 20 2HG ABA 20 -3.549 -15.760 -2.259 104 3HG ABA 20 3HG ABA 20 -3.925 -14.460 -3.369 105 H MET 21 H MET 21 0.198 -15.338 -5.454 106 HA MET 21 HA MET 21 1.415 -16.712 -3.097 107 1HB MET 21 2HB MET 21 3.525 -16.797 -4.390 108 2HB MET 21 1HB MET 21 2.257 -17.564 -5.305 109 1HG MET 21 2HG MET 21 2.107 -15.907 -6.881 110 2HG MET 21 1HG MET 21 2.707 -14.644 -5.849 111 1HE MET 21 1HE MET 21 5.128 -15.127 -4.751 112 2HE MET 21 3HE MET 21 5.698 -16.742 -5.176 113 3HE MET 21 2HE MET 21 6.509 -15.315 -5.820 114 H HIS 22 H HIS 22 3.595 -15.260 -2.616 115 HA HIS 22 HA HIS 22 2.513 -12.464 -2.462 116 1HB HIS 22 2HB HIS 22 2.830 -13.744 -0.382 117 2HB HIS 22 1HB HIS 22 4.568 -13.775 -0.749 118 HD1 HIS 22 HD1 HIS 22 3.519 -10.507 -1.724 119 HD2 HIS 22 HD2 HIS 22 4.223 -12.429 1.902 120 HE1 HIS 22 HE1 HIS 22 3.922 -8.825 0.003 121 H ILE 23 H ILE 23 3.623 -10.961 -3.654 122 HA ILE 23 HA ILE 23 6.227 -11.761 -4.616 123 HB ILE 23 HB ILE 23 3.992 -10.991 -5.986 124 1HG1 ILE 23 2HG1 ILE 23 5.690 -10.496 -7.811 125 2HG1 ILE 23 1HG1 ILE 23 6.913 -10.879 -6.629 126 1HG2 ILE 23 3HG2 ILE 23 4.482 -8.625 -4.968 127 2HG2 ILE 23 2HG2 ILE 23 5.677 -8.525 -6.231 128 3HG2 ILE 23 1HG2 ILE 23 3.978 -8.748 -6.642 129 1HD1 ILE 23 3HD1 ILE 23 4.969 -13.004 -6.486 130 2HD1 ILE 23 2HD1 ILE 23 5.241 -12.695 -8.186 131 3HD1 ILE 23 1HD1 ILE 23 6.588 -13.099 -7.146 132 H GLU 24 H GLU 24 5.569 -10.459 -2.023 133 HA GLU 24 HA GLU 24 6.087 -7.749 -1.764 134 1HB GLU 24 2HB GLU 24 6.370 -9.958 0.063 135 2HB GLU 24 1HB GLU 24 7.915 -9.153 0.110 136 1HG GLU 24 2HG GLU 24 5.396 -7.433 0.313 137 2HG GLU 24 1HG GLU 24 5.997 -8.257 1.732 138 H SER 25 H SER 25 8.219 -10.183 -2.474 139 HA SER 25 HA SER 25 10.749 -9.377 -2.436 140 1HB SER 25 2HB SER 25 9.566 -10.495 -5.010 141 2HB SER 25 1HB SER 25 11.041 -11.055 -4.200 142 HG SER 25 HG SER 25 9.778 -12.334 -3.050 143 H LEU 26 H LEU 26 8.498 -8.398 -4.684 144 HA LEU 26 HA LEU 26 10.186 -6.177 -5.713 145 1HB LEU 26 2HB LEU 26 8.049 -6.525 -7.544 146 2HB LEU 26 1HB LEU 26 9.740 -6.836 -7.842 147 HG LEU 26 HG LEU 26 7.986 -8.789 -6.437 148 1HD1 LEU 26 2HD1 LEU 26 8.200 -8.302 -9.443 149 2HD1 LEU 26 1HD1 LEU 26 7.639 -9.835 -8.809 150 3HD1 LEU 26 3HD1 LEU 26 6.745 -8.362 -8.472 151 1HD2 LEU 26 3HD2 LEU 26 10.580 -9.090 -6.654 152 2HD2 LEU 26 2HD2 LEU 26 9.671 -10.439 -7.315 153 3HD2 LEU 26 1HD2 LEU 26 10.348 -9.224 -8.380 154 H ASP 27 H ASP 27 7.045 -7.173 -4.704 155 HA ASP 27 HA ASP 27 6.370 -4.362 -4.172 156 1HB ASP 27 2HB ASP 27 4.826 -6.097 -6.122 157 2HB ASP 27 1HB ASP 27 4.062 -4.728 -5.336 158 H SER 28 H SER 28 4.071 -6.970 -4.433 159 HA SER 28 HA SER 28 3.731 -7.183 -1.489 160 1HB SER 28 2HB SER 28 1.690 -6.086 -1.295 161 2HB SER 28 1HB SER 28 2.648 -5.019 -2.303 162 HG SER 28 HG SER 28 1.684 -6.311 -4.127 163 H TYR 29 H TYR 29 0.918 -7.819 -2.530 164 HA TYR 29 HA TYR 29 1.512 -10.767 -2.986 165 1HB TYR 29 2HB TYR 29 -0.126 -10.816 -1.250 166 2HB TYR 29 1HB TYR 29 -0.722 -9.214 -1.666 167 HD1 TYR 29 HD2 TYR 29 -0.536 -12.568 -3.226 168 HD2 TYR 29 HD1 TYR 29 -2.921 -9.124 -2.550 169 HE1 TYR 29 HE2 TYR 29 -2.326 -13.551 -4.536 170 HE2 TYR 29 HE1 TYR 29 -4.723 -10.131 -3.819 171 HH TYR 29 HH TYR 29 -5.208 -11.851 -5.255 172 H THR 30 H THR 30 0.945 -11.904 -4.621 173 HA THR 30 HA THR 30 -0.689 -10.703 -6.714 174 HB THR 30 HB THR 30 1.915 -10.149 -6.667 175 HG1 THR 30 HG1 THR 30 1.098 -10.697 -9.257 176 1HG2 THR 30 1HG2 THR 30 2.608 -12.581 -6.963 177 2HG2 THR 30 3HG2 THR 30 1.858 -12.571 -8.551 178 3HG2 THR 30 2HG2 THR 30 3.203 -11.492 -8.207 179 H CYS 31 H CYS 31 -0.630 -12.310 -8.682 180 HA CYS 31 HA CYS 31 -0.919 -15.053 -7.505 181 1HB CYS 31 2HB CYS 31 -2.775 -13.405 -8.981 182 2HB CYS 31 1HB CYS 31 -2.364 -14.776 -9.982 183 H ASN 32 H ASN 32 -0.139 -16.730 -8.934 184 HA ASN 32 HA ASN 32 1.918 -15.673 -10.855 185 1HB ASN 32 2HB ASN 32 3.063 -17.000 -9.175 186 2HB ASN 32 1HB ASN 32 1.872 -18.282 -9.255 187 1HD2 ASN 32 2HD2 ASN 32 3.814 -18.155 -12.796 188 2HD2 ASN 32 1HD2 ASN 32 2.878 -16.832 -12.330 189 H CYS 33 H CYS 33 0.354 -15.423 -12.477 190 HA CYS 33 HA CYS 33 -1.359 -17.426 -13.384 191 1HB CYS 33 2HB CYS 33 -0.005 -15.279 -15.037 192 2HB CYS 33 1HB CYS 33 -1.543 -16.037 -15.251 193 H VAL 34 H VAL 34 -1.223 -18.774 -15.023 194 HA VAL 34 HA VAL 34 1.026 -20.428 -15.100 195 HB VAL 34 HB VAL 34 -1.270 -21.123 -15.573 196 1HG1 VAL 34 3HG1 VAL 34 -1.725 -18.966 -16.933 197 2HG1 VAL 34 2HG1 VAL 34 -1.379 -20.002 -18.309 198 3HG1 VAL 34 1HG1 VAL 34 -2.615 -20.452 -17.163 199 1HG2 VAL 34 2HG2 VAL 34 0.553 -22.521 -16.690 200 2HG2 VAL 34 1HG2 VAL 34 -1.046 -22.610 -17.419 201 3HG2 VAL 34 3HG2 VAL 34 0.181 -21.636 -18.176 202 H ILE 35 H ILE 35 2.211 -21.058 -16.769 203 HA ILE 35 HA ILE 35 3.926 -19.183 -17.917 204 HB ILE 35 HB ILE 35 4.616 -21.436 -17.970 205 1HG1 ILE 35 2HG1 ILE 35 3.875 -21.229 -20.907 206 2HG1 ILE 35 1HG1 ILE 35 4.971 -20.058 -20.209 207 1HG2 ILE 35 1HG2 ILE 35 1.957 -22.064 -19.286 208 2HG2 ILE 35 3HG2 ILE 35 3.276 -23.206 -19.332 209 3HG2 ILE 35 2HG2 ILE 35 2.620 -22.721 -17.791 210 1HD1 ILE 35 1HD1 ILE 35 5.434 -23.064 -19.966 211 2HD1 ILE 35 3HD1 ILE 35 6.140 -22.068 -21.224 212 3HD1 ILE 35 2HD1 ILE 35 6.559 -21.783 -19.546 213 H GLY 36 H GLY 36 0.838 -20.102 -18.968 214 1HA GLY 36 2HA GLY 36 1.056 -18.671 -21.531 215 2HA GLY 36 1HA GLY 36 -0.271 -19.689 -21.068 216 H TYR 37 H TYR 37 -0.498 -18.121 -18.421 217 HA TYR 37 HA TYR 37 -1.919 -15.674 -19.527 218 1HB TYR 37 2HB TYR 37 -2.564 -17.014 -16.875 219 2HB TYR 37 1HB TYR 37 -3.632 -16.033 -17.854 220 HD1 TYR 37 HD1 TYR 37 -2.739 -17.917 -20.469 221 HD2 TYR 37 HD2 TYR 37 -4.479 -18.623 -16.655 222 HE1 TYR 37 HE1 TYR 37 -3.736 -19.933 -21.291 223 HE2 TYR 37 HE2 TYR 37 -5.520 -20.667 -17.542 224 HH TYR 37 HH TYR 37 -5.110 -22.279 -19.385 225 H SER 38 H SER 38 -1.185 -13.772 -18.864 226 HA SER 38 HA SER 38 0.562 -13.869 -16.523 227 1HB SER 38 2HB SER 38 1.998 -14.228 -18.538 228 2HB SER 38 1HB SER 38 1.386 -12.738 -19.264 229 HG SER 38 HG SER 38 3.275 -13.066 -17.322 230 H GLY 39 H GLY 39 1.389 -11.132 -17.559 231 1HA GLY 39 2HA GLY 39 0.692 -8.889 -17.371 232 2HA GLY 39 1HA GLY 39 -0.980 -9.443 -17.342 233 H ASP 40 H ASP 40 0.286 -11.322 -15.071 234 HA ASP 40 HA ASP 40 0.940 -11.041 -12.774 235 1HB ASP 40 2HB ASP 40 1.152 -8.472 -13.202 236 2HB ASP 40 1HB ASP 40 -0.538 -8.397 -12.731 237 H ARG 41 H ARG 41 -2.095 -10.735 -14.254 238 HA ARG 41 HA ARG 41 -3.410 -11.860 -11.903 239 1HB ARG 41 2HB ARG 41 -3.808 -9.246 -12.454 240 2HB ARG 41 1HB ARG 41 -4.873 -9.868 -13.698 241 1HG ARG 41 2HG ARG 41 -5.063 -11.124 -11.108 242 2HG ARG 41 1HG ARG 41 -5.565 -9.456 -11.121 243 1HD ARG 41 2HD ARG 41 -6.719 -10.681 -13.372 244 2HD ARG 41 1HD ARG 41 -6.887 -11.798 -12.040 245 HE ARG 41 HE ARG 41 -7.938 -10.022 -10.729 246 1HH1 ARG 41 1HH2 ARG 41 -6.926 -8.103 -12.777 247 2HH1 ARG 41 2HH2 ARG 41 -8.385 -7.502 -13.515 248 1HH2 ARG 41 2HH1 ARG 41 -10.135 -10.237 -12.045 249 2HH2 ARG 41 1HH1 ARG 41 -10.396 -8.870 -13.082 250 H CYS 42 H CYS 42 -2.410 -12.452 -14.806 251 HA CYS 42 HA CYS 42 -2.958 -13.853 -16.446 252 1HB CYS 42 2HB CYS 42 -5.260 -15.092 -15.025 253 2HB CYS 42 1HB CYS 42 -3.834 -15.868 -15.649 254 H GLN 43 H GLN 43 -4.136 -11.410 -16.233 255 HA GLN 43 HA GLN 43 -6.946 -11.551 -17.145 256 1HB GLN 43 2HB GLN 43 -6.714 -9.074 -17.153 257 2HB GLN 43 1HB GLN 43 -6.186 -9.740 -15.607 258 1HG GLN 43 2HG GLN 43 -3.925 -9.781 -17.423 259 2HG GLN 43 1HG GLN 43 -4.643 -8.199 -17.525 260 1HE2 GLN 43 2HE2 GLN 43 -2.210 -9.042 -14.611 261 2HE2 GLN 43 1HE2 GLN 43 -2.402 -10.047 -15.991 262 H THR 44 H THR 44 -4.200 -12.208 -18.516 263 HA THR 44 HA THR 44 -5.036 -11.271 -21.206 264 HB THR 44 HB THR 44 -3.136 -9.919 -20.180 265 HG1 THR 44 HG1 THR 44 -2.725 -11.532 -22.439 266 1HG2 THR 44 2HG2 THR 44 -2.172 -11.753 -18.882 267 2HG2 THR 44 1HG2 THR 44 -1.533 -12.439 -20.382 268 3HG2 THR 44 3HG2 THR 44 -1.003 -10.849 -19.830 269 H ARG 45 H ARG 45 -5.244 -13.847 -19.772 270 HA ARG 45 HA ARG 45 -3.926 -16.030 -20.252 271 1HB ARG 45 2HB ARG 45 -6.414 -16.318 -21.843 272 2HB ARG 45 1HB ARG 45 -5.850 -17.178 -20.422 273 1HG ARG 45 2HG ARG 45 -6.479 -15.293 -19.018 274 2HG ARG 45 1HG ARG 45 -7.022 -14.415 -20.454 275 1HD ARG 45 2HD ARG 45 -8.204 -17.103 -19.657 276 2HD ARG 45 1HD ARG 45 -8.929 -15.552 -19.220 277 HE ARG 45 HE ARG 45 -8.943 -15.120 -21.776 278 1HH1 ARG 45 1HH2 ARG 45 -8.069 -17.326 -23.076 279 2HH1 ARG 45 2HH2 ARG 45 -9.391 -18.442 -23.190 280 1HH2 ARG 45 2HH1 ARG 45 -11.086 -16.782 -20.581 281 2HH2 ARG 45 1HH1 ARG 45 -11.239 -18.098 -21.696 282 H ASP 46 H ASP 46 -2.208 -15.801 -21.573 283 HA ASP 46 HA ASP 46 -2.581 -15.260 -24.424 284 1HB ASP 46 2HB ASP 46 -0.351 -14.842 -23.120 285 2HB ASP 46 1HB ASP 46 -0.087 -16.578 -23.253 286 H LEU 47 H LEU 47 -3.391 -17.778 -22.708 287 HA LEU 47 HA LEU 47 -4.058 -19.948 -23.136 288 1HB LEU 47 2HB LEU 47 -3.936 -18.594 -25.802 289 2HB LEU 47 1HB LEU 47 -3.652 -20.287 -26.009 290 HG LEU 47 HG LEU 47 -5.972 -19.201 -24.355 291 1HD1 LEU 47 1HD1 LEU 47 -5.886 -19.795 -27.353 292 2HD1 LEU 47 3HD1 LEU 47 -7.354 -19.494 -26.438 293 3HD1 LEU 47 2HD1 LEU 47 -6.154 -18.228 -26.600 294 1HD2 LEU 47 3HD2 LEU 47 -5.277 -21.889 -25.629 295 2HD2 LEU 47 2HD2 LEU 47 -5.693 -21.559 -23.953 296 3HD2 LEU 47 1HD2 LEU 47 -6.923 -21.492 -25.193 297 H ARG 48 HN ARG 48 -2.805 -21.639 -25.189 298 HA ARG 48 HA ARG 48 -1.155 -23.322 -24.896 299 1HB ARG 48 2HB ARG 48 0.738 -21.039 -25.538 300 2HB ARG 48 1HB ARG 48 0.675 -22.637 -26.240 301 1HG ARG 48 2HG ARG 48 -0.519 -21.770 -27.993 302 2HG ARG 48 1HG ARG 48 -1.836 -21.426 -26.929 303 1HD ARG 48 2HD ARG 48 -1.448 -19.223 -27.560 304 2HD ARG 48 1HD ARG 48 -0.285 -19.259 -26.271 305 HE ARG 48 HE ARG 48 0.799 -18.452 -28.349 306 1HH1 ARG 48 1HH2 ARG 48 2.291 -20.731 -27.343 307 2HH1 ARG 48 2HH2 ARG 48 2.622 -21.685 -28.751 308 1HH2 ARG 48 1HH1 ARG 48 0.061 -19.943 -30.492 309 2HH2 ARG 48 2HH1 ARG 48 1.242 -21.188 -30.715 No H/Q in entry = 309 Start of MODEL 5 1 1H PRO 4 1H PRO 4 0.026 0.715 -2.663 2 2H PRO 4 2H PRO 4 0.361 2.205 -3.398 3 HA PRO 4 HA PRO 4 2.000 1.237 -4.517 4 1HB PRO 4 2HB PRO 4 3.961 0.436 -2.780 5 2HB PRO 4 1HB PRO 4 3.599 2.137 -3.062 6 1HG PRO 4 2HG PRO 4 2.565 0.379 -0.801 7 2HG PRO 4 1HG PRO 4 3.242 2.003 -0.708 8 1HD PRO 4 2HD PRO 4 0.551 1.632 -0.732 9 2HD PRO 4 1HD PRO 4 1.281 3.026 -1.538 10 H GLY 5 H GLY 5 0.788 -0.692 -1.902 11 1HA GLY 5 2HA GLY 5 1.343 -3.156 -3.487 12 2HA GLY 5 1HA GLY 5 1.385 -3.133 -1.721 13 1HN ABA 6 HN ABA 6 -0.194 -4.945 -3.167 14 HA ABA 6 HA ABA 6 -2.911 -4.001 -2.468 15 1HB ABA 6 1HB ABA 6 -3.142 -5.790 -4.666 16 2HB ABA 6 2HB ABA 6 -1.770 -4.806 -5.052 17 1HG ABA 6 1HG ABA 6 -3.776 -3.717 -5.918 18 2HG ABA 6 2HG ABA 6 -3.140 -2.740 -4.601 19 3HG ABA 6 3HG ABA 6 -4.542 -3.771 -4.338 20 HA PRO 7 HA PRO 7 -2.435 -8.467 -0.969 21 1HB PRO 7 2HB PRO 7 -1.761 -8.025 1.750 22 2HB PRO 7 1HB PRO 7 -0.690 -8.665 0.508 23 1HG PRO 7 2HG PRO 7 -0.557 -6.040 1.765 24 2HG PRO 7 1HG PRO 7 0.530 -6.729 0.580 25 1HD PRO 7 2HD PRO 7 -1.575 -4.708 0.112 26 2HD PRO 7 1HD PRO 7 -0.305 -5.287 -0.975 27 H SER 8 H SER 8 -3.348 -5.734 0.869 28 HA SER 8 HA SER 8 -5.157 -6.214 2.684 29 1HB SER 8 2HB SER 8 -5.081 -4.185 0.567 30 2HB SER 8 1HB SER 8 -6.751 -4.556 0.994 31 HG SER 8 HG SER 8 -4.999 -3.173 2.433 32 H SER 9 H SER 9 -6.250 -6.650 -0.684 33 HA SER 9 HA SER 9 -8.160 -8.637 0.291 34 1HB SER 9 2HB SER 9 -9.172 -6.800 -1.870 35 2HB SER 9 1HB SER 9 -10.002 -7.422 -0.440 36 HG SER 9 HG SER 9 -9.525 -5.639 0.550 37 H TYR 10 H TYR 10 -7.966 -10.417 -0.853 38 HA TYR 10 HA TYR 10 -6.733 -10.330 -3.493 39 1HB TYR 10 2HB TYR 10 -6.361 -12.915 -2.854 40 2HB TYR 10 1HB TYR 10 -5.285 -11.693 -2.232 41 HD1 TYR 10 HD2 TYR 10 -5.331 -10.963 0.103 42 HD2 TYR 10 HD1 TYR 10 -8.014 -13.959 -1.309 43 HE1 TYR 10 HE2 TYR 10 -5.858 -11.598 2.415 44 HE2 TYR 10 HE1 TYR 10 -8.530 -14.582 1.003 45 HH TYR 10 HH TYR 10 -6.834 -14.112 3.448 46 H ASP 11 H ASP 11 -9.557 -10.400 -2.233 47 HA ASP 11 HA ASP 11 -11.042 -12.572 -3.243 48 1HB ASP 11 2HB ASP 11 -12.119 -9.712 -3.207 49 2HB ASP 11 1HB ASP 11 -13.001 -11.184 -2.845 50 H GLY 12 H GLY 12 -11.556 -13.123 -5.303 51 1HA GLY 12 2HA GLY 12 -11.235 -13.146 -7.685 52 2HA GLY 12 1HA GLY 12 -12.310 -11.760 -7.552 53 H TYR 13 H TYR 13 -9.025 -12.208 -6.562 54 HA TYR 13 HA TYR 13 -8.112 -9.747 -7.960 55 1HB TYR 13 2HB TYR 13 -7.633 -10.225 -5.539 56 2HB TYR 13 1HB TYR 13 -6.725 -11.667 -5.988 57 HD1 TYR 13 HD1 TYR 13 -4.661 -11.337 -7.526 58 HD2 TYR 13 HD2 TYR 13 -6.557 -8.142 -5.436 59 HE1 TYR 13 HE1 TYR 13 -2.631 -10.017 -7.715 60 HE2 TYR 13 HE2 TYR 13 -4.520 -6.829 -5.625 61 HH TYR 13 HH TYR 13 -1.614 -8.029 -6.203 62 H CYS 14 H CYS 14 -7.956 -13.119 -8.408 63 HA CYS 14 HA CYS 14 -5.902 -12.723 -10.547 64 1HB CYS 14 2HB CYS 14 -6.614 -15.319 -9.150 65 2HB CYS 14 1HB CYS 14 -5.209 -14.978 -10.139 66 H LEU 15 H LEU 15 -6.421 -13.829 -12.533 67 HA LEU 15 HA LEU 15 -9.347 -14.165 -12.946 68 1HB LEU 15 2HB LEU 15 -7.208 -12.973 -14.521 69 2HB LEU 15 1HB LEU 15 -7.912 -14.257 -15.444 70 HG LEU 15 HG LEU 15 -10.218 -13.101 -14.827 71 1HD1 LEU 15 1HD1 LEU 15 -9.048 -11.528 -13.176 72 2HD1 LEU 15 3HD1 LEU 15 -8.252 -10.775 -14.540 73 3HD1 LEU 15 2HD1 LEU 15 -9.994 -10.704 -14.409 74 1HD2 LEU 15 3HD2 LEU 15 -8.573 -13.015 -17.083 75 2HD2 LEU 15 2HD2 LEU 15 -10.141 -12.249 -16.996 76 3HD2 LEU 15 1HD2 LEU 15 -8.696 -11.316 -16.689 77 H ASN 16 H ASN 16 -6.426 -15.882 -13.461 78 HA ASN 16 HA ASN 16 -7.969 -18.363 -13.834 79 1HB ASN 16 2HB ASN 16 -6.110 -17.263 -15.944 80 2HB ASN 16 1HB ASN 16 -6.480 -18.993 -15.842 81 1HD2 ASN 16 2HD2 ASN 16 -9.273 -16.559 -17.285 82 2HD2 ASN 16 1HD2 ASN 16 -7.743 -15.934 -16.865 83 H GLY 17 H GLY 17 -4.423 -18.218 -14.562 84 1HA GLY 17 2HA GLY 17 -3.900 -20.711 -13.339 85 2HA GLY 17 1HA GLY 17 -2.681 -19.492 -13.644 86 H GLY 18 H GLY 18 -4.071 -17.584 -12.270 87 1HA GLY 18 2HA GLY 18 -3.370 -16.515 -10.251 88 2HA GLY 18 1HA GLY 18 -4.970 -17.140 -10.001 89 H VAL 19 H VAL 19 -1.592 -18.072 -9.505 90 HA VAL 19 HA VAL 19 -2.442 -19.445 -7.041 91 HB VAL 19 HB VAL 19 -0.093 -19.535 -9.001 92 1HG1 VAL 19 1HG1 VAL 19 0.238 -20.084 -6.057 93 2HG1 VAL 19 3HG1 VAL 19 1.286 -20.826 -7.267 94 3HG1 VAL 19 2HG1 VAL 19 1.228 -19.079 -7.103 95 1HG2 VAL 19 3HG2 VAL 19 -1.495 -21.733 -7.464 96 2HG2 VAL 19 2HG2 VAL 19 -1.814 -21.245 -9.125 97 3HG2 VAL 19 1HG2 VAL 19 -0.273 -21.970 -8.706 98 1HN ABA 20 HN ABA 20 -2.902 -17.882 -5.883 99 HA ABA 20 HA ABA 20 -1.827 -15.290 -5.741 100 1HB ABA 20 1HB ABA 20 -3.440 -17.042 -3.868 101 2HB ABA 20 2HB ABA 20 -3.999 -15.885 -5.019 102 1HG ABA 20 1HG ABA 20 -3.477 -15.535 -2.212 103 2HG ABA 20 2HG ABA 20 -3.876 -14.245 -3.317 104 3HG ABA 20 3HG ABA 20 -2.195 -14.644 -2.975 105 H MET 21 H MET 21 0.324 -15.133 -5.541 106 HA MET 21 HA MET 21 1.563 -16.222 -3.052 107 1HB MET 21 2HB MET 21 3.738 -16.219 -4.340 108 2HB MET 21 1HB MET 21 2.567 -17.365 -4.944 109 1HG MET 21 2HG MET 21 2.068 -16.015 -6.845 110 2HG MET 21 1HG MET 21 2.892 -14.623 -6.189 111 1HE MET 21 3HE MET 21 3.336 -14.490 -8.583 112 2HE MET 21 2HE MET 21 5.069 -14.600 -8.895 113 3HE MET 21 1HE MET 21 3.999 -15.827 -9.514 114 H HIS 22 H HIS 22 2.080 -14.697 -1.676 115 HA HIS 22 HA HIS 22 1.859 -11.960 -2.366 116 1HB HIS 22 2HB HIS 22 1.670 -12.891 -0.088 117 2HB HIS 22 1HB HIS 22 3.435 -13.133 -0.093 118 HD1 HIS 22 HD1 HIS 22 2.991 -10.060 -1.766 119 HD2 HIS 22 HD2 HIS 22 2.715 -11.265 2.206 120 HE1 HIS 22 HE1 HIS 22 3.252 -8.097 -0.315 121 H ILE 23 H ILE 23 3.341 -10.865 -3.673 122 HA ILE 23 HA ILE 23 6.007 -12.015 -3.993 123 HB ILE 23 HB ILE 23 4.095 -11.280 -5.816 124 1HG1 ILE 23 2HG1 ILE 23 6.333 -10.943 -7.270 125 2HG1 ILE 23 1HG1 ILE 23 7.037 -11.720 -5.883 126 1HG2 ILE 23 2HG2 ILE 23 4.628 -8.825 -5.025 127 2HG2 ILE 23 1HG2 ILE 23 6.011 -8.963 -6.070 128 3HG2 ILE 23 3HG2 ILE 23 4.385 -9.129 -6.730 129 1HD1 ILE 23 2HD1 ILE 23 4.992 -13.426 -6.203 130 2HD1 ILE 23 1HD1 ILE 23 5.001 -12.767 -7.829 131 3HD1 ILE 23 3HD1 ILE 23 6.421 -13.582 -7.209 132 H GLU 24 H GLU 24 4.955 -10.294 -1.825 133 HA GLU 24 HA GLU 24 5.548 -7.698 -1.637 134 1HB GLU 24 2HB GLU 24 5.545 -9.733 0.364 135 2HB GLU 24 1HB GLU 24 7.195 -9.186 0.444 136 1HG GLU 24 2HG GLU 24 4.737 -7.426 0.919 137 2HG GLU 24 1HG GLU 24 5.962 -7.888 2.071 138 H SER 25 H SER 25 7.813 -10.114 -1.591 139 HA SER 25 HA SER 25 10.283 -9.297 -1.392 140 1HB SER 25 2HB SER 25 9.531 -10.796 -3.926 141 2HB SER 25 1HB SER 25 10.825 -11.210 -2.789 142 HG SER 25 HG SER 25 9.332 -12.395 -1.823 143 H LEU 26 H LEU 26 8.543 -8.788 -4.199 144 HA LEU 26 HA LEU 26 10.448 -6.744 -5.211 145 1HB LEU 26 2HB LEU 26 8.617 -7.311 -7.307 146 2HB LEU 26 1HB LEU 26 10.320 -7.703 -7.263 147 HG LEU 26 HG LEU 26 8.227 -9.349 -5.947 148 1HD1 LEU 26 2HD1 LEU 26 9.168 -9.438 -8.873 149 2HD1 LEU 26 1HD1 LEU 26 8.357 -10.800 -8.131 150 3HD1 LEU 26 3HD1 LEU 26 7.522 -9.267 -8.288 151 1HD2 LEU 26 2HD2 LEU 26 10.785 -9.753 -5.521 152 2HD2 LEU 26 1HD2 LEU 26 9.921 -11.169 -6.108 153 3HD2 LEU 26 3HD2 LEU 26 10.909 -10.222 -7.201 154 H ASP 27 H ASP 27 7.088 -7.454 -4.559 155 HA ASP 27 HA ASP 27 6.618 -4.550 -4.617 156 1HB ASP 27 2HB ASP 27 5.239 -6.490 -6.512 157 2HB ASP 27 1HB ASP 27 4.448 -4.991 -6.060 158 H SER 28 H SER 28 4.224 -7.065 -4.765 159 HA SER 28 HA SER 28 3.501 -6.746 -1.904 160 1HB SER 28 2HB SER 28 1.742 -5.336 -2.091 161 2HB SER 28 1HB SER 28 2.679 -4.723 -3.443 162 HG SER 28 HG SER 28 1.204 -5.452 -4.788 163 H TYR 29 H TYR 29 0.753 -7.458 -3.001 164 HA TYR 29 HA TYR 29 1.386 -10.401 -3.145 165 1HB TYR 29 2HB TYR 29 -0.332 -10.366 -1.501 166 2HB TYR 29 1HB TYR 29 -0.957 -8.838 -2.129 167 HD1 TYR 29 HD2 TYR 29 -0.492 -12.320 -3.482 168 HD2 TYR 29 HD1 TYR 29 -3.199 -9.060 -2.988 169 HE1 TYR 29 HE2 TYR 29 -2.179 -13.499 -4.744 170 HE2 TYR 29 HE1 TYR 29 -4.867 -10.290 -4.234 171 HH TYR 29 HH TYR 29 -4.158 -13.203 -5.984 172 H THR 30 H THR 30 0.963 -11.659 -4.746 173 HA THR 30 HA THR 30 -0.630 -10.586 -6.921 174 HB THR 30 HB THR 30 1.995 -9.955 -6.700 175 HG1 THR 30 HG1 THR 30 0.811 -9.141 -8.355 176 1HG2 THR 30 3HG2 THR 30 2.645 -12.444 -7.066 177 2HG2 THR 30 2HG2 THR 30 2.034 -12.254 -8.711 178 3HG2 THR 30 1HG2 THR 30 3.360 -11.249 -8.152 179 H CYS 31 H CYS 31 -0.200 -12.322 -8.799 180 HA CYS 31 HA CYS 31 -0.551 -14.984 -7.491 181 1HB CYS 31 2HB CYS 31 -2.420 -13.423 -9.062 182 2HB CYS 31 1HB CYS 31 -2.016 -14.860 -9.947 183 H ASN 32 H ASN 32 0.015 -16.722 -8.814 184 HA ASN 32 HA ASN 32 2.098 -16.107 -10.885 185 1HB ASN 32 2HB ASN 32 2.622 -17.536 -8.636 186 2HB ASN 32 1HB ASN 32 1.737 -18.807 -9.456 187 1HD2 ASN 32 2HD2 ASN 32 4.936 -19.667 -10.710 188 2HD2 ASN 32 1HD2 ASN 32 3.750 -20.060 -9.558 189 H CYS 33 H CYS 33 1.065 -16.366 -12.796 190 HA CYS 33 HA CYS 33 -1.448 -17.908 -12.888 191 1HB CYS 33 2HB CYS 33 -0.254 -15.991 -14.975 192 2HB CYS 33 1HB CYS 33 -1.821 -16.684 -14.963 193 H VAL 34 H VAL 34 -0.438 -17.865 -15.976 194 HA VAL 34 HA VAL 34 1.152 -20.319 -15.647 195 HB VAL 34 HB VAL 34 -1.208 -21.024 -15.809 196 1HG1 VAL 34 1HG1 VAL 34 -1.986 -19.030 -17.024 197 2HG1 VAL 34 3HG1 VAL 34 -1.591 -19.877 -18.522 198 3HG1 VAL 34 2HG1 VAL 34 -2.716 -20.574 -17.377 199 1HG2 VAL 34 1HG2 VAL 34 0.521 -22.452 -16.984 200 2HG2 VAL 34 3HG2 VAL 34 -1.125 -22.632 -17.556 201 3HG2 VAL 34 2HG2 VAL 34 0.010 -21.705 -18.502 202 H ILE 35 H ILE 35 2.071 -21.026 -17.461 203 HA ILE 35 HA ILE 35 3.645 -19.126 -18.811 204 HB ILE 35 HB ILE 35 4.363 -21.386 -18.909 205 1HG1 ILE 35 2HG1 ILE 35 3.279 -21.305 -21.721 206 2HG1 ILE 35 1HG1 ILE 35 4.309 -19.987 -21.209 207 1HG2 ILE 35 3HG2 ILE 35 1.591 -22.086 -19.960 208 2HG2 ILE 35 2HG2 ILE 35 2.934 -23.211 -20.020 209 3HG2 ILE 35 1HG2 ILE 35 2.358 -22.652 -18.476 210 1HD1 ILE 35 3HD1 ILE 35 5.100 -22.923 -21.051 211 2HD1 ILE 35 2HD1 ILE 35 5.664 -21.767 -22.246 212 3HD1 ILE 35 1HD1 ILE 35 6.106 -21.569 -20.562 213 H GLY 36 H GLY 36 0.460 -20.116 -19.354 214 1HA GLY 36 2HA GLY 36 0.233 -18.764 -21.966 215 2HA GLY 36 1HA GLY 36 -0.995 -19.776 -21.252 216 H TYR 37 H TYR 37 -0.641 -18.064 -18.694 217 HA TYR 37 HA TYR 37 -2.163 -15.620 -19.474 218 1HB TYR 37 2HB TYR 37 -2.636 -17.090 -16.884 219 2HB TYR 37 1HB TYR 37 -3.702 -15.974 -17.697 220 HD1 TYR 37 HD1 TYR 37 -3.430 -17.529 -20.488 221 HD2 TYR 37 HD2 TYR 37 -4.412 -18.760 -16.558 222 HE1 TYR 37 HE1 TYR 37 -4.735 -19.336 -21.400 223 HE2 TYR 37 HE2 TYR 37 -5.744 -20.597 -17.503 224 HH TYR 37 HH TYR 37 -6.136 -21.793 -19.473 225 H SER 38 H SER 38 -1.227 -13.806 -18.921 226 HA SER 38 HA SER 38 0.522 -13.963 -16.526 227 1HB SER 38 2HB SER 38 1.989 -14.381 -18.479 228 2HB SER 38 1HB SER 38 1.404 -12.916 -19.280 229 HG SER 38 HG SER 38 3.266 -13.151 -17.296 230 H GLY 39 H GLY 39 1.400 -11.231 -17.723 231 1HA GLY 39 2HA GLY 39 0.856 -8.971 -17.472 232 2HA GLY 39 1HA GLY 39 -0.842 -9.425 -17.494 233 H ASP 40 H ASP 40 0.355 -11.282 -15.151 234 HA ASP 40 HA ASP 40 0.958 -10.940 -12.834 235 1HB ASP 40 2HB ASP 40 1.095 -8.377 -13.309 236 2HB ASP 40 1HB ASP 40 -0.600 -8.356 -12.866 237 H ARG 41 H ARG 41 -2.026 -10.824 -14.392 238 HA ARG 41 HA ARG 41 -3.388 -11.772 -11.956 239 1HB ARG 41 2HB ARG 41 -3.730 -9.242 -12.950 240 2HB ARG 41 1HB ARG 41 -4.897 -10.071 -13.930 241 1HG ARG 41 2HG ARG 41 -4.929 -10.706 -11.053 242 2HG ARG 41 1HG ARG 41 -5.358 -9.068 -11.504 243 1HD ARG 41 2HD ARG 41 -6.674 -10.868 -13.272 244 2HD ARG 41 1HD ARG 41 -7.051 -11.272 -11.605 245 HE ARG 41 HE ARG 41 -7.330 -8.455 -12.536 246 1HH1 ARG 41 1HH2 ARG 41 -7.677 -9.454 -9.866 247 2HH1 ARG 41 2HH2 ARG 41 -9.411 -9.495 -9.647 248 1HH2 ARG 41 2HH1 ARG 41 -9.798 -9.312 -13.157 249 2HH2 ARG 41 1HH1 ARG 41 -10.693 -9.435 -11.671 250 H CYS 42 H CYS 42 -2.385 -12.570 -14.856 251 HA CYS 42 HA CYS 42 -2.890 -14.132 -16.329 252 1HB CYS 42 2HB CYS 42 -5.277 -15.288 -14.926 253 2HB CYS 42 1HB CYS 42 -3.849 -16.112 -15.470 254 H GLN 43 H GLN 43 -4.022 -11.669 -16.249 255 HA GLN 43 HA GLN 43 -6.809 -11.910 -17.160 256 1HB GLN 43 2HB GLN 43 -6.740 -9.427 -17.118 257 2HB GLN 43 1HB GLN 43 -6.076 -10.034 -15.624 258 1HG GLN 43 2HG GLN 43 -3.935 -9.819 -17.572 259 2HG GLN 43 1HG GLN 43 -4.863 -8.325 -17.540 260 1HE2 GLN 43 2HE2 GLN 43 -2.135 -8.966 -14.794 261 2HE2 GLN 43 1HE2 GLN 43 -2.360 -10.057 -16.099 262 H THR 44 H THR 44 -3.651 -11.826 -18.328 263 HA THR 44 HA THR 44 -4.607 -11.381 -21.150 264 HB THR 44 HB THR 44 -2.689 -9.930 -20.792 265 HG1 THR 44 HG1 THR 44 -1.916 -12.426 -21.894 266 1HG2 THR 44 3HG2 THR 44 -1.841 -11.167 -18.716 267 2HG2 THR 44 2HG2 THR 44 -0.952 -12.180 -19.863 268 3HG2 THR 44 1HG2 THR 44 -0.667 -10.453 -19.807 269 H ARG 45 H ARG 45 -5.597 -13.388 -20.962 270 HA ARG 45 HA ARG 45 -4.050 -15.734 -20.338 271 1HB ARG 45 2HB ARG 45 -6.646 -15.635 -21.932 272 2HB ARG 45 1HB ARG 45 -6.071 -16.862 -20.853 273 1HG ARG 45 2HG ARG 45 -6.386 -15.512 -18.903 274 2HG ARG 45 1HG ARG 45 -6.772 -14.082 -19.837 275 1HD ARG 45 2HD ARG 45 -8.470 -16.596 -19.881 276 2HD ARG 45 1HD ARG 45 -8.868 -15.085 -19.056 277 HE ARG 45 HE ARG 45 -8.373 -15.055 -22.001 278 1HH1 ARG 45 1HH2 ARG 45 -9.186 -12.606 -20.731 279 2HH1 ARG 45 2HH2 ARG 45 -10.906 -12.569 -20.914 280 1HH2 ARG 45 2HH1 ARG 45 -10.944 -16.019 -21.642 281 2HH2 ARG 45 1HH1 ARG 45 -11.976 -14.636 -21.482 282 H ASP 46 H ASP 46 -2.326 -15.427 -21.639 283 HA ASP 46 HA ASP 46 -2.598 -14.588 -24.317 284 1HB ASP 46 2HB ASP 46 -0.341 -14.483 -23.258 285 2HB ASP 46 1HB ASP 46 -0.318 -16.219 -23.010 286 H LEU 47 H LEU 47 -2.908 -17.494 -22.753 287 HA LEU 47 HA LEU 47 -4.061 -19.434 -23.219 288 1HB LEU 47 2HB LEU 47 -4.356 -18.094 -25.818 289 2HB LEU 47 1HB LEU 47 -3.904 -19.743 -26.148 290 HG LEU 47 HG LEU 47 -6.036 -19.172 -24.067 291 1HD1 LEU 47 3HD1 LEU 47 -6.636 -17.784 -26.013 292 2HD1 LEU 47 2HD1 LEU 47 -6.497 -19.179 -27.070 293 3HD1 LEU 47 1HD1 LEU 47 -7.743 -19.131 -25.828 294 1HD2 LEU 47 2HD2 LEU 47 -5.599 -21.409 -26.107 295 2HD2 LEU 47 1HD2 LEU 47 -5.289 -21.516 -24.377 296 3HD2 LEU 47 3HD2 LEU 47 -6.923 -21.325 -24.966 297 H ARG 48 HN ARG 48 -3.162 -21.351 -25.301 298 HA ARG 48 HA ARG 48 -1.457 -22.978 -25.406 299 1HB ARG 48 2HB ARG 48 0.426 -20.562 -25.331 300 2HB ARG 48 1HB ARG 48 0.735 -22.102 -26.084 301 1HG ARG 48 2HG ARG 48 0.154 -20.930 -27.987 302 2HG ARG 48 1HG ARG 48 -1.447 -21.477 -27.540 303 1HD ARG 48 2HD ARG 48 -2.059 -19.315 -26.709 304 2HD ARG 48 1HD ARG 48 -0.400 -18.864 -26.408 305 HE ARG 48 HE ARG 48 -1.388 -19.157 -29.219 306 1HH1 ARG 48 1HH1 ARG 48 0.931 -18.191 -29.824 307 2HH1 ARG 48 2HH1 ARG 48 1.043 -16.527 -29.378 308 1HH2 ARG 48 1HH2 ARG 48 -1.729 -16.809 -27.214 309 2HH2 ARG 48 2HH2 ARG 48 -0.564 -15.680 -27.804 No H/Q in entry = 309 Start of MODEL 6 1 1H PRO 4 1H PRO 4 2.776 0.448 -1.434 2 2H PRO 4 2H PRO 4 1.741 1.699 -0.921 3 HA PRO 4 HA PRO 4 0.372 1.294 -2.595 4 1HB PRO 4 2HB PRO 4 1.902 1.358 -4.983 5 2HB PRO 4 1HB PRO 4 1.159 2.756 -4.210 6 1HG PRO 4 2HG PRO 4 3.999 1.827 -4.104 7 2HG PRO 4 1HG PRO 4 3.363 3.465 -3.977 8 1HD PRO 4 2HD PRO 4 4.271 2.036 -1.808 9 2HD PRO 4 1HD PRO 4 3.038 3.293 -1.681 10 H GLY 5 H GLY 5 0.526 -0.836 -1.513 11 1HA GLY 5 2HA GLY 5 1.329 -3.001 -3.418 12 2HA GLY 5 1HA GLY 5 1.400 -3.190 -1.652 13 1HN ABA 6 HN ABA 6 -0.180 -4.981 -3.111 14 HA ABA 6 HA ABA 6 -2.914 -4.077 -2.374 15 1HB ABA 6 1HB ABA 6 -2.900 -5.903 -4.664 16 2HB ABA 6 2HB ABA 6 -1.872 -4.536 -4.981 17 1HG ABA 6 1HG ABA 6 -4.017 -3.832 -5.732 18 2HG ABA 6 2HG ABA 6 -3.824 -3.043 -4.180 19 3HG ABA 6 3HG ABA 6 -4.826 -4.481 -4.312 20 HA PRO 7 HA PRO 7 -2.364 -8.578 -0.886 21 1HB PRO 7 2HB PRO 7 -2.097 -7.691 1.904 22 2HB PRO 7 1HB PRO 7 -1.029 -8.757 0.990 23 1HG PRO 7 2HG PRO 7 -0.326 -6.165 1.744 24 2HG PRO 7 1HG PRO 7 0.405 -7.042 0.411 25 1HD PRO 7 2HD PRO 7 -1.661 -4.846 0.287 26 2HD PRO 7 1HD PRO 7 -0.377 -5.273 -0.846 27 H SER 8 H SER 8 -3.462 -5.843 0.748 28 HA SER 8 HA SER 8 -5.474 -6.066 2.277 29 1HB SER 8 2HB SER 8 -5.904 -4.328 -0.159 30 2HB SER 8 1HB SER 8 -6.113 -3.916 1.555 31 HG SER 8 HG SER 8 -4.111 -3.240 1.351 32 H SER 9 H SER 9 -6.183 -6.445 -1.147 33 HA SER 9 HA SER 9 -8.696 -7.808 -0.447 34 1HB SER 9 2HB SER 9 -9.557 -6.668 -2.652 35 2HB SER 9 1HB SER 9 -9.262 -5.557 -1.299 36 HG SER 9 HG SER 9 -7.328 -6.357 -3.221 37 H TYR 10 H TYR 10 -8.341 -9.953 -0.984 38 HA TYR 10 HA TYR 10 -6.993 -10.419 -3.520 39 1HB TYR 10 2HB TYR 10 -6.401 -12.632 -2.492 40 2HB TYR 10 1HB TYR 10 -5.641 -11.223 -1.818 41 HD1 TYR 10 HD1 TYR 10 -6.273 -10.304 0.365 42 HD2 TYR 10 HD2 TYR 10 -7.985 -13.948 -1.031 43 HE1 TYR 10 HE1 TYR 10 -7.014 -10.831 2.641 44 HE2 TYR 10 HE2 TYR 10 -8.717 -14.465 1.253 45 HH TYR 10 HH TYR 10 -7.787 -13.720 3.706 46 H ASP 11 H ASP 11 -10.047 -10.474 -2.359 47 HA ASP 11 HA ASP 11 -10.881 -12.991 -3.512 48 1HB ASP 11 2HB ASP 11 -11.958 -11.888 -1.464 49 2HB ASP 11 1HB ASP 11 -12.724 -10.780 -2.613 50 H GLY 12 H GLY 12 -10.345 -12.775 -5.521 51 1HA GLY 12 2HA GLY 12 -11.372 -12.595 -7.801 52 2HA GLY 12 1HA GLY 12 -12.002 -11.009 -7.322 53 H TYR 13 H TYR 13 -8.884 -12.103 -6.410 54 HA TYR 13 HA TYR 13 -7.622 -9.874 -7.830 55 1HB TYR 13 2HB TYR 13 -7.347 -10.452 -5.425 56 2HB TYR 13 1HB TYR 13 -6.392 -11.861 -5.889 57 HD1 TYR 13 HD1 TYR 13 -4.296 -11.425 -7.322 58 HD2 TYR 13 HD2 TYR 13 -6.424 -8.313 -5.359 59 HE1 TYR 13 HE1 TYR 13 -2.374 -9.991 -7.538 60 HE2 TYR 13 HE2 TYR 13 -4.494 -6.869 -5.545 61 HH TYR 13 HH TYR 13 -1.477 -7.941 -6.131 62 H CYS 14 H CYS 14 -8.063 -13.133 -8.429 63 HA CYS 14 HA CYS 14 -5.837 -13.159 -10.416 64 1HB CYS 14 2HB CYS 14 -6.893 -15.443 -8.739 65 2HB CYS 14 1HB CYS 14 -5.616 -15.488 -9.878 66 H LEU 15 H LEU 15 -6.421 -14.203 -12.421 67 HA LEU 15 HA LEU 15 -9.381 -14.353 -12.819 68 1HB LEU 15 2HB LEU 15 -7.164 -13.310 -14.449 69 2HB LEU 15 1HB LEU 15 -8.128 -14.419 -15.355 70 HG LEU 15 HG LEU 15 -10.171 -12.966 -14.410 71 1HD1 LEU 15 1HD1 LEU 15 -8.647 -11.557 -12.992 72 2HD1 LEU 15 3HD1 LEU 15 -7.813 -11.027 -14.446 73 3HD1 LEU 15 2HD1 LEU 15 -9.480 -10.584 -14.183 74 1HD2 LEU 15 2HD2 LEU 15 -8.616 -12.999 -16.878 75 2HD2 LEU 15 1HD2 LEU 15 -10.278 -12.512 -16.669 76 3HD2 LEU 15 3HD2 LEU 15 -9.001 -11.335 -16.513 77 H ASN 16 H ASN 16 -6.553 -16.187 -13.494 78 HA ASN 16 HA ASN 16 -8.212 -18.591 -13.852 79 1HB ASN 16 2HB ASN 16 -6.262 -17.771 -16.025 80 2HB ASN 16 1HB ASN 16 -7.187 -19.266 -15.997 81 1HD2 ASN 16 2HD2 ASN 16 -8.978 -15.843 -17.105 82 2HD2 ASN 16 1HD2 ASN 16 -7.367 -15.800 -16.557 83 H GLY 17 H GLY 17 -4.646 -18.121 -14.465 84 1HA GLY 17 2HA GLY 17 -4.172 -20.710 -13.120 85 2HA GLY 17 1HA GLY 17 -3.069 -19.866 -14.171 86 H GLY 18 H GLY 18 -4.776 -17.980 -12.082 87 1HA GLY 18 2HA GLY 18 -2.595 -16.754 -10.832 88 2HA GLY 18 1HA GLY 18 -4.260 -16.550 -10.427 89 H VAL 19 H VAL 19 -1.429 -18.051 -9.782 90 HA VAL 19 HA VAL 19 -2.450 -19.487 -7.424 91 HB VAL 19 HB VAL 19 0.021 -19.525 -9.193 92 1HG1 VAL 19 2HG1 VAL 19 0.301 -19.917 -6.196 93 2HG1 VAL 19 1HG1 VAL 19 1.427 -20.643 -7.340 94 3HG1 VAL 19 3HG1 VAL 19 1.266 -18.904 -7.249 95 1HG2 VAL 19 3HG2 VAL 19 -1.327 -21.690 -7.562 96 2HG2 VAL 19 2HG2 VAL 19 -1.567 -21.348 -9.275 97 3HG2 VAL 19 1HG2 VAL 19 -0.017 -21.944 -8.712 98 1HN ABA 20 HN ABA 20 -2.967 -18.109 -6.028 99 HA ABA 20 HA ABA 20 -1.866 -15.520 -5.671 100 1HB ABA 20 1HB ABA 20 -3.320 -17.316 -3.672 101 2HB ABA 20 2HB ABA 20 -4.074 -16.316 -4.876 102 1HG ABA 20 1HG ABA 20 -3.812 -14.433 -3.415 103 2HG ABA 20 2HG ABA 20 -2.122 -14.824 -3.111 104 3HG ABA 20 3HG ABA 20 -3.368 -15.590 -2.187 105 H MET 21 H MET 21 0.147 -15.139 -5.181 106 HA MET 21 HA MET 21 1.498 -16.635 -3.004 107 1HB MET 21 2HB MET 21 3.616 -16.561 -4.358 108 2HB MET 21 1HB MET 21 2.407 -17.515 -5.191 109 1HG MET 21 2HG MET 21 1.903 -15.758 -6.709 110 2HG MET 21 1HG MET 21 2.853 -14.592 -5.837 111 1HE MET 21 3HE MET 21 5.623 -15.747 -5.336 112 2HE MET 21 2HE MET 21 5.211 -17.430 -5.702 113 3HE MET 21 1HE MET 21 6.412 -16.589 -6.668 114 H HIS 22 H HIS 22 3.228 -15.062 -2.109 115 HA HIS 22 HA HIS 22 2.177 -12.293 -2.520 116 1HB HIS 22 2HB HIS 22 2.179 -13.296 -0.241 117 2HB HIS 22 1HB HIS 22 3.953 -13.343 -0.329 118 HD1 HIS 22 HD1 HIS 22 3.249 -10.245 -1.890 119 HD2 HIS 22 HD2 HIS 22 3.002 -11.644 2.027 120 HE1 HIS 22 HE1 HIS 22 3.310 -8.348 -0.363 121 H ILE 23 H ILE 23 3.528 -10.913 -3.675 122 HA ILE 23 HA ILE 23 6.217 -11.914 -4.183 123 HB ILE 23 HB ILE 23 4.162 -11.171 -5.877 124 1HG1 ILE 23 2HG1 ILE 23 6.172 -10.938 -7.513 125 2HG1 ILE 23 1HG1 ILE 23 7.137 -11.444 -6.150 126 1HG2 ILE 23 2HG2 ILE 23 4.753 -8.744 -5.068 127 2HG2 ILE 23 1HG2 ILE 23 6.100 -8.880 -6.156 128 3HG2 ILE 23 3HG2 ILE 23 4.452 -8.996 -6.770 129 1HD1 ILE 23 1HD1 ILE 23 5.352 -13.399 -5.945 130 2HD1 ILE 23 3HD1 ILE 23 4.954 -12.972 -7.598 131 3HD1 ILE 23 2HD1 ILE 23 6.569 -13.513 -7.203 132 H GLU 24 H GLU 24 5.156 -10.375 -1.881 133 HA GLU 24 HA GLU 24 5.642 -7.732 -1.644 134 1HB GLU 24 2HB GLU 24 5.718 -9.831 0.299 135 2HB GLU 24 1HB GLU 24 7.337 -9.195 0.401 136 1HG GLU 24 2HG GLU 24 4.769 -7.612 0.918 137 2HG GLU 24 1HG GLU 24 6.035 -8.003 2.050 138 H SER 25 H SER 25 7.956 -10.095 -1.692 139 HA SER 25 HA SER 25 10.416 -9.261 -1.474 140 1HB SER 25 2HB SER 25 9.644 -10.710 -4.029 141 2HB SER 25 1HB SER 25 10.953 -11.135 -2.913 142 HG SER 25 HG SER 25 9.478 -12.344 -1.942 143 H LEU 26 H LEU 26 8.635 -8.702 -4.243 144 HA LEU 26 HA LEU 26 10.523 -6.643 -5.255 145 1HB LEU 26 2HB LEU 26 8.662 -7.189 -7.327 146 2HB LEU 26 1HB LEU 26 10.365 -7.566 -7.317 147 HG LEU 26 HG LEU 26 8.318 -9.264 -5.977 148 1HD1 LEU 26 2HD1 LEU 26 9.192 -9.369 -8.919 149 2HD1 LEU 26 1HD1 LEU 26 8.302 -10.667 -8.152 150 3HD1 LEU 26 3HD1 LEU 26 7.569 -9.081 -8.320 151 1HD2 LEU 26 2HD2 LEU 26 10.888 -9.649 -5.630 152 2HD2 LEU 26 1HD2 LEU 26 10.035 -11.063 -6.241 153 3HD2 LEU 26 3HD2 LEU 26 10.982 -10.062 -7.326 154 H ASP 27 H ASP 27 7.191 -7.372 -4.573 155 HA ASP 27 HA ASP 27 6.660 -4.482 -4.542 156 1HB ASP 27 2HB ASP 27 5.242 -6.397 -6.438 157 2HB ASP 27 1HB ASP 27 4.525 -4.863 -5.992 158 H SER 28 H SER 28 4.291 -7.055 -4.728 159 HA SER 28 HA SER 28 3.614 -6.824 -1.846 160 1HB SER 28 2HB SER 28 1.763 -5.493 -1.946 161 2HB SER 28 1HB SER 28 2.643 -4.772 -3.274 162 HG SER 28 HG SER 28 1.206 -5.540 -4.642 163 H TYR 29 H TYR 29 0.858 -7.579 -2.847 164 HA TYR 29 HA TYR 29 1.491 -10.538 -3.103 165 1HB TYR 29 2HB TYR 29 -0.193 -10.518 -1.419 166 2HB TYR 29 1HB TYR 29 -0.831 -8.969 -1.978 167 HD1 TYR 29 HD2 TYR 29 -0.376 -12.339 -3.484 168 HD2 TYR 29 HD1 TYR 29 -3.174 -9.231 -2.710 169 HE1 TYR 29 HE2 TYR 29 -2.042 -13.541 -4.732 170 HE2 TYR 29 HE1 TYR 29 -4.857 -10.478 -3.945 171 HH TYR 29 HH TYR 29 -4.054 -13.374 -5.785 172 H THR 30 H THR 30 0.978 -11.705 -4.758 173 HA THR 30 HA THR 30 -0.613 -10.514 -6.880 174 HB THR 30 HB THR 30 2.020 -9.925 -6.642 175 HG1 THR 30 HG1 THR 30 0.886 -8.943 -8.236 176 1HG2 THR 30 2HG2 THR 30 2.639 -12.392 -7.136 177 2HG2 THR 30 1HG2 THR 30 2.003 -12.131 -8.754 178 3HG2 THR 30 3HG2 THR 30 3.366 -11.180 -8.183 179 H CYS 31 H CYS 31 -0.407 -12.156 -8.899 180 HA CYS 31 HA CYS 31 -0.731 -14.872 -7.650 181 1HB CYS 31 2HB CYS 31 -2.612 -13.314 -9.123 182 2HB CYS 31 1HB CYS 31 -2.112 -14.604 -10.188 183 H ASN 32 H ASN 32 0.031 -16.605 -8.842 184 HA ASN 32 HA ASN 32 2.192 -15.906 -10.810 185 1HB ASN 32 2HB ASN 32 2.603 -17.227 -8.559 186 2HB ASN 32 1HB ASN 32 1.876 -18.582 -9.397 187 1HD2 ASN 32 2HD2 ASN 32 4.965 -19.289 -10.877 188 2HD2 ASN 32 1HD2 ASN 32 3.573 -19.889 -10.105 189 H CYS 33 H CYS 33 0.454 -15.581 -12.338 190 HA CYS 33 HA CYS 33 -1.221 -17.679 -13.146 191 1HB CYS 33 2HB CYS 33 -0.227 -15.408 -14.912 192 2HB CYS 33 1HB CYS 33 -1.685 -16.307 -14.982 193 H VAL 34 H VAL 34 -1.194 -18.904 -14.888 194 HA VAL 34 HA VAL 34 1.107 -20.408 -15.321 195 HB VAL 34 HB VAL 34 -1.325 -21.087 -15.603 196 1HG1 VAL 34 2HG1 VAL 34 -1.758 -19.042 -17.129 197 2HG1 VAL 34 1HG1 VAL 34 -1.370 -20.143 -18.440 198 3HG1 VAL 34 3HG1 VAL 34 -2.639 -20.549 -17.332 199 1HG2 VAL 34 1HG2 VAL 34 0.516 -22.563 -16.614 200 2HG2 VAL 34 3HG2 VAL 34 -1.108 -22.737 -17.264 201 3HG2 VAL 34 2HG2 VAL 34 0.083 -21.840 -18.166 202 H ILE 35 H ILE 35 1.991 -21.013 -17.192 203 HA ILE 35 HA ILE 35 3.490 -18.994 -18.504 204 HB ILE 35 HB ILE 35 4.337 -21.224 -18.570 205 1HG1 ILE 35 2HG1 ILE 35 3.281 -21.036 -21.413 206 2HG1 ILE 35 1HG1 ILE 35 4.385 -19.820 -20.819 207 1HG2 ILE 35 2HG2 ILE 35 1.625 -22.028 -19.698 208 2HG2 ILE 35 1HG2 ILE 35 3.007 -23.102 -19.748 209 3HG2 ILE 35 3HG2 ILE 35 2.383 -22.586 -18.206 210 1HD1 ILE 35 2HD1 ILE 35 6.025 -21.657 -20.184 211 2HD1 ILE 35 1HD1 ILE 35 4.950 -22.811 -20.960 212 3HD1 ILE 35 3HD1 ILE 35 5.708 -21.546 -21.903 213 H GLY 36 H GLY 36 0.387 -20.126 -19.045 214 1HA GLY 36 2HA GLY 36 0.073 -18.914 -21.710 215 2HA GLY 36 1HA GLY 36 -1.127 -19.889 -20.918 216 H TYR 37 H TYR 37 -0.589 -17.942 -18.516 217 HA TYR 37 HA TYR 37 -2.192 -15.581 -19.388 218 1HB TYR 37 2HB TYR 37 -2.620 -16.899 -16.725 219 2HB TYR 37 1HB TYR 37 -3.739 -15.869 -17.601 220 HD1 TYR 37 HD1 TYR 37 -3.777 -17.571 -20.246 221 HD2 TYR 37 HD2 TYR 37 -4.096 -18.636 -16.156 222 HE1 TYR 37 HE1 TYR 37 -5.059 -19.524 -20.863 223 HE2 TYR 37 HE2 TYR 37 -5.402 -20.610 -16.782 224 HH TYR 37 HH TYR 37 -6.747 -21.022 -19.803 225 H SER 38 H SER 38 -1.213 -13.760 -18.813 226 HA SER 38 HA SER 38 0.577 -13.973 -16.442 227 1HB SER 38 2HB SER 38 1.990 -14.360 -18.462 228 2HB SER 38 1HB SER 38 1.415 -12.854 -19.191 229 HG SER 38 HG SER 38 3.265 -13.230 -17.180 230 H GLY 39 H GLY 39 1.458 -11.240 -17.491 231 1HA GLY 39 2HA GLY 39 0.865 -8.995 -17.210 232 2HA GLY 39 1HA GLY 39 -0.824 -9.476 -17.327 233 H ASP 40 H ASP 40 0.524 -11.321 -14.919 234 HA ASP 40 HA ASP 40 0.884 -10.942 -12.577 235 1HB ASP 40 2HB ASP 40 1.029 -8.353 -13.224 236 2HB ASP 40 1HB ASP 40 -0.639 -8.322 -12.719 237 H ARG 41 H ARG 41 -2.017 -10.930 -14.267 238 HA ARG 41 HA ARG 41 -3.429 -11.845 -11.848 239 1HB ARG 41 2HB ARG 41 -3.808 -9.275 -12.957 240 2HB ARG 41 1HB ARG 41 -5.062 -10.188 -13.715 241 1HG ARG 41 2HG ARG 41 -4.643 -10.534 -10.798 242 2HG ARG 41 1HG ARG 41 -5.211 -8.978 -11.382 243 1HD ARG 41 2HD ARG 41 -6.627 -10.995 -12.764 244 2HD ARG 41 1HD ARG 41 -6.699 -11.363 -11.082 245 HE ARG 41 HE ARG 41 -8.450 -9.661 -12.077 246 1HH1 ARG 41 2HH1 ARG 41 -6.250 -9.466 -9.552 247 2HH1 ARG 41 1HH1 ARG 41 -6.636 -7.840 -9.087 248 1HH2 ARG 41 1HH2 ARG 41 -8.758 -7.493 -11.880 249 2HH2 ARG 41 2HH2 ARG 41 -8.168 -6.638 -10.492 250 H CYS 42 H CYS 42 -2.543 -12.489 -14.894 251 HA CYS 42 HA CYS 42 -3.069 -14.082 -16.337 252 1HB CYS 42 2HB CYS 42 -5.411 -15.228 -14.873 253 2HB CYS 42 1HB CYS 42 -4.022 -16.061 -15.499 254 H GLN 43 H GLN 43 -4.204 -11.645 -16.174 255 HA GLN 43 HA GLN 43 -7.011 -11.722 -17.062 256 1HB GLN 43 2HB GLN 43 -6.791 -9.273 -17.025 257 2HB GLN 43 1HB GLN 43 -6.152 -9.932 -15.517 258 1HG GLN 43 2HG GLN 43 -3.991 -9.790 -17.422 259 2HG GLN 43 1HG GLN 43 -4.834 -8.254 -17.428 260 1HE2 GLN 43 2HE2 GLN 43 -2.299 -9.098 -14.568 261 2HE2 GLN 43 1HE2 GLN 43 -2.484 -10.101 -15.947 262 H THR 44 H THR 44 -3.928 -11.725 -18.186 263 HA THR 44 HA THR 44 -4.717 -11.258 -21.031 264 HB THR 44 HB THR 44 -3.074 -9.742 -19.674 265 HG1 THR 44 HG1 THR 44 -1.619 -10.389 -21.859 266 1HG2 THR 44 3HG2 THR 44 -1.826 -11.623 -18.776 267 2HG2 THR 44 2HG2 THR 44 -1.038 -11.807 -20.335 268 3HG2 THR 44 1HG2 THR 44 -0.868 -10.298 -19.417 269 H ARG 45 H ARG 45 -5.484 -13.263 -21.107 270 HA ARG 45 HA ARG 45 -3.938 -15.601 -20.300 271 1HB ARG 45 2HB ARG 45 -6.551 -15.569 -21.866 272 2HB ARG 45 1HB ARG 45 -6.020 -16.689 -20.643 273 1HG ARG 45 2HG ARG 45 -6.135 -14.744 -18.969 274 2HG ARG 45 1HG ARG 45 -6.961 -13.831 -20.221 275 1HD ARG 45 2HD ARG 45 -8.022 -16.429 -19.101 276 2HD ARG 45 1HD ARG 45 -8.607 -14.801 -18.729 277 HE ARG 45 HE ARG 45 -9.190 -14.587 -21.166 278 1HH1 ARG 45 1HH2 ARG 45 -8.133 -16.628 -22.579 279 2HH1 ARG 45 2HH2 ARG 45 -9.233 -17.967 -22.513 280 1HH2 ARG 45 2HH1 ARG 45 -10.793 -16.557 -19.664 281 2HH2 ARG 45 1HH1 ARG 45 -10.856 -17.931 -20.707 282 H ASP 46 H ASP 46 -2.207 -15.445 -21.590 283 HA ASP 46 HA ASP 46 -2.388 -14.689 -24.335 284 1HB ASP 46 2HB ASP 46 -0.181 -14.658 -23.109 285 2HB ASP 46 1HB ASP 46 -0.249 -16.410 -22.942 286 H LEU 47 H LEU 47 -3.009 -17.424 -22.611 287 HA LEU 47 HA LEU 47 -4.062 -19.409 -22.963 288 1HB LEU 47 2HB LEU 47 -4.496 -17.943 -25.519 289 2HB LEU 47 1HB LEU 47 -4.382 -19.631 -25.890 290 HG LEU 47 HG LEU 47 -6.127 -18.552 -23.627 291 1HD1 LEU 47 3HD1 LEU 47 -6.926 -18.993 -26.537 292 2HD1 LEU 47 2HD1 LEU 47 -8.031 -18.597 -25.229 293 3HD1 LEU 47 1HD1 LEU 47 -6.812 -17.441 -25.725 294 1HD2 LEU 47 2HD2 LEU 47 -5.631 -21.073 -23.736 295 2HD2 LEU 47 1HD2 LEU 47 -7.332 -20.673 -23.860 296 3HD2 LEU 47 3HD2 LEU 47 -6.426 -21.099 -25.299 297 H ARG 48 HN ARG 48 -3.382 -20.999 -25.473 298 HA ARG 48 HA ARG 48 -1.914 -22.879 -25.558 299 1HB ARG 48 2HB ARG 48 0.191 -21.018 -26.614 300 2HB ARG 48 1HB ARG 48 -0.638 -22.330 -27.395 301 1HG ARG 48 2HG ARG 48 -1.683 -20.731 -28.627 302 2HG ARG 48 1HG ARG 48 -2.651 -20.349 -27.234 303 1HD ARG 48 2HD ARG 48 -1.684 -18.248 -27.700 304 2HD ARG 48 1HD ARG 48 -0.540 -18.856 -26.523 305 HE ARG 48 HE ARG 48 -0.130 -19.011 -29.500 306 1HH1 ARG 48 1HH2 ARG 48 1.652 -20.797 -28.501 307 2HH1 ARG 48 2HH2 ARG 48 3.047 -19.923 -27.973 308 1HH2 ARG 48 1HH1 ARG 48 1.163 -16.930 -27.852 309 2HH2 ARG 48 2HH1 ARG 48 2.747 -17.556 -27.569 No H/Q in entry = 309 Start of MODEL 7 1 1H PRO 4 1H PRO 4 -0.583 0.092 -0.771 2 2H PRO 4 2H PRO 4 -0.226 1.657 -1.330 3 HA PRO 4 HA PRO 4 1.797 1.011 -1.940 4 1HB PRO 4 2HB PRO 4 3.114 -0.075 0.268 5 2HB PRO 4 1HB PRO 4 2.905 1.653 -0.012 6 1HG PRO 4 2HG PRO 4 1.228 -0.179 1.713 7 2HG PRO 4 1HG PRO 4 1.801 1.453 2.067 8 1HD PRO 4 2HD PRO 4 -0.730 1.023 1.234 9 2HD PRO 4 1HD PRO 4 0.157 2.456 0.700 10 H GLY 5 H GLY 5 0.009 -0.705 -2.775 11 1HA GLY 5 2HA GLY 5 0.752 -2.843 -3.927 12 2HA GLY 5 1HA GLY 5 1.143 -3.433 -2.311 13 1HN ABA 6 HN ABA 6 -0.441 -5.181 -3.121 14 HA ABA 6 HA ABA 6 -3.154 -4.313 -2.355 15 1HB ABA 6 1HB ABA 6 -3.178 -6.577 -4.239 16 2HB ABA 6 2HB ABA 6 -2.265 -5.265 -4.910 17 1HG ABA 6 1HG ABA 6 -4.313 -3.748 -4.183 18 2HG ABA 6 2HG ABA 6 -5.183 -5.274 -4.130 19 3HG ABA 6 3HG ABA 6 -4.433 -4.730 -5.625 20 HA PRO 7 HA PRO 7 -2.686 -8.347 -0.128 21 1HB PRO 7 2HB PRO 7 -1.109 -8.027 1.999 22 2HB PRO 7 1HB PRO 7 -0.426 -8.407 0.414 23 1HG PRO 7 2HG PRO 7 -0.452 -5.730 1.844 24 2HG PRO 7 1HG PRO 7 0.758 -6.393 0.761 25 1HD PRO 7 2HD PRO 7 -1.363 -4.576 -0.024 26 2HD PRO 7 1HD PRO 7 -0.294 -5.486 -1.108 27 H SER 8 H SER 8 -4.270 -6.127 -0.211 28 HA SER 8 HA SER 8 -5.240 -5.647 2.576 29 1HB SER 8 2HB SER 8 -4.930 -3.588 1.138 30 2HB SER 8 1HB SER 8 -6.053 -4.277 -0.049 31 HG SER 8 HG SER 8 -7.250 -4.404 2.339 32 H SER 9 H SER 9 -5.990 -7.202 -0.436 33 HA SER 9 HA SER 9 -7.966 -8.883 0.696 34 1HB SER 9 2HB SER 9 -9.397 -6.705 0.343 35 2HB SER 9 1HB SER 9 -9.113 -6.924 -1.397 36 HG SER 9 HG SER 9 -10.822 -8.234 0.129 37 H TYR 10 H TYR 10 -8.470 -10.449 -0.886 38 HA TYR 10 HA TYR 10 -7.016 -10.254 -3.402 39 1HB TYR 10 2HB TYR 10 -6.731 -12.953 -2.812 40 2HB TYR 10 1HB TYR 10 -5.527 -11.766 -2.359 41 HD1 TYR 10 HD2 TYR 10 -8.291 -13.757 -1.171 42 HD2 TYR 10 HD1 TYR 10 -5.252 -11.004 -0.041 43 HE1 TYR 10 HE2 TYR 10 -8.686 -14.299 1.194 44 HE2 TYR 10 HE1 TYR 10 -5.645 -11.549 2.319 45 HH TYR 10 HH TYR 10 -6.804 -13.983 3.444 46 H ASP 11 H ASP 11 -9.916 -10.225 -2.339 47 HA ASP 11 HA ASP 11 -11.237 -12.468 -3.472 48 1HB ASP 11 2HB ASP 11 -13.292 -11.096 -3.244 49 2HB ASP 11 1HB ASP 11 -12.267 -10.754 -1.865 50 H GLY 12 H GLY 12 -11.843 -12.869 -5.564 51 1HA GLY 12 2HA GLY 12 -11.482 -12.822 -7.932 52 2HA GLY 12 1HA GLY 12 -12.353 -11.300 -7.776 53 H TYR 13 H TYR 13 -9.221 -12.158 -6.565 54 HA TYR 13 HA TYR 13 -7.992 -9.844 -7.906 55 1HB TYR 13 2HB TYR 13 -7.725 -10.377 -5.466 56 2HB TYR 13 1HB TYR 13 -6.824 -11.834 -5.923 57 HD1 TYR 13 HD2 TYR 13 -4.649 -11.572 -7.162 58 HD2 TYR 13 HD1 TYR 13 -6.703 -8.215 -5.543 59 HE1 TYR 13 HE2 TYR 13 -2.629 -10.261 -7.352 60 HE2 TYR 13 HE1 TYR 13 -4.672 -6.905 -5.725 61 HH TYR 13 HH TYR 13 -1.620 -8.227 -6.258 62 H CYS 14 H CYS 14 -8.244 -13.149 -8.484 63 HA CYS 14 HA CYS 14 -5.905 -13.078 -10.371 64 1HB CYS 14 2HB CYS 14 -7.056 -15.520 -9.039 65 2HB CYS 14 1HB CYS 14 -5.589 -15.351 -9.963 66 H LEU 15 H LEU 15 -6.369 -14.172 -12.442 67 HA LEU 15 HA LEU 15 -9.304 -14.296 -13.033 68 1HB LEU 15 2HB LEU 15 -6.990 -13.191 -14.491 69 2HB LEU 15 1HB LEU 15 -7.883 -14.289 -15.476 70 HG LEU 15 HG LEU 15 -9.963 -12.766 -14.539 71 1HD1 LEU 15 3HD1 LEU 15 -7.469 -10.999 -14.691 72 2HD1 LEU 15 2HD1 LEU 15 -9.098 -10.364 -14.734 73 3HD1 LEU 15 1HD1 LEU 15 -8.527 -11.208 -13.329 74 1HD2 LEU 15 2HD2 LEU 15 -8.376 -12.970 -17.030 75 2HD2 LEU 15 1HD2 LEU 15 -10.094 -12.704 -16.832 76 3HD2 LEU 15 3HD2 LEU 15 -8.986 -11.351 -16.808 77 H ASN 16 H ASN 16 -6.386 -16.035 -13.536 78 HA ASN 16 HA ASN 16 -7.922 -18.488 -14.112 79 1HB ASN 16 2HB ASN 16 -5.767 -17.470 -15.976 80 2HB ASN 16 1HB ASN 16 -6.404 -19.119 -16.003 81 1HD2 ASN 16 2HD2 ASN 16 -8.675 -16.064 -17.313 82 2HD2 ASN 16 1HD2 ASN 16 -7.273 -15.738 -16.401 83 H GLY 17 H GLY 17 -4.428 -18.150 -14.613 84 1HA GLY 17 2HA GLY 17 -3.808 -20.660 -13.395 85 2HA GLY 17 1HA GLY 17 -2.629 -19.407 -13.727 86 H GLY 18 H GLY 18 -4.328 -17.571 -12.303 87 1HA GLY 18 2HA GLY 18 -3.706 -16.462 -10.269 88 2HA GLY 18 1HA GLY 18 -5.202 -17.316 -10.020 89 H VAL 19 H VAL 19 -1.697 -18.072 -9.591 90 HA VAL 19 HA VAL 19 -2.550 -19.490 -7.160 91 HB VAL 19 HB VAL 19 -0.141 -19.434 -9.036 92 1HG1 VAL 19 3HG1 VAL 19 0.151 -20.013 -6.091 93 2HG1 VAL 19 2HG1 VAL 19 1.232 -20.738 -7.283 94 3HG1 VAL 19 1HG1 VAL 19 1.141 -18.998 -7.123 95 1HG2 VAL 19 1HG2 VAL 19 -1.504 -21.728 -7.589 96 2HG2 VAL 19 3HG2 VAL 19 -1.775 -21.221 -9.252 97 3HG2 VAL 19 2HG2 VAL 19 -0.223 -21.892 -8.784 98 1HN ABA 20 HN ABA 20 -3.103 -18.011 -5.910 99 HA ABA 20 HA ABA 20 -1.997 -15.440 -5.572 100 1HB ABA 20 1HB ABA 20 -3.609 -17.215 -3.708 101 2HB ABA 20 2HB ABA 20 -4.187 -16.097 -4.894 102 1HG ABA 20 1HG ABA 20 -2.298 -14.754 -3.000 103 2HG ABA 20 2HG ABA 20 -3.519 -15.589 -2.098 104 3HG ABA 20 3HG ABA 20 -3.987 -14.372 -3.263 105 H MET 21 H MET 21 0.136 -15.309 -5.295 106 HA MET 21 HA MET 21 1.296 -16.563 -2.837 107 1HB MET 21 2HB MET 21 3.481 -16.641 -4.087 108 2HB MET 21 1HB MET 21 2.273 -17.606 -4.898 109 1HG MET 21 2HG MET 21 1.867 -15.896 -6.548 110 2HG MET 21 1HG MET 21 2.880 -14.748 -5.723 111 1HE MET 21 1HE MET 21 5.549 -15.607 -5.195 112 2HE MET 21 3HE MET 21 5.314 -17.359 -5.268 113 3HE MET 21 2HE MET 21 6.418 -16.573 -6.388 114 H HIS 22 H HIS 22 3.316 -15.065 -2.215 115 HA HIS 22 HA HIS 22 2.279 -12.268 -2.525 116 1HB HIS 22 2HB HIS 22 2.365 -13.292 -0.257 117 2HB HIS 22 1HB HIS 22 4.132 -13.345 -0.431 118 HD1 HIS 22 HD1 HIS 22 3.358 -10.253 -1.928 119 HD2 HIS 22 HD2 HIS 22 3.317 -11.660 1.985 120 HE1 HIS 22 HE1 HIS 22 3.541 -8.350 -0.388 121 H ILE 23 H ILE 23 3.588 -10.902 -3.704 122 HA ILE 23 HA ILE 23 6.223 -11.909 -4.341 123 HB ILE 23 HB ILE 23 4.115 -11.088 -5.957 124 1HG1 ILE 23 2HG1 ILE 23 6.032 -10.960 -7.674 125 2HG1 ILE 23 1HG1 ILE 23 7.058 -11.465 -6.355 126 1HG2 ILE 23 2HG2 ILE 23 4.815 -8.691 -5.158 127 2HG2 ILE 23 1HG2 ILE 23 6.127 -8.864 -6.287 128 3HG2 ILE 23 3HG2 ILE 23 4.460 -8.933 -6.849 129 1HD1 ILE 23 2HD1 ILE 23 4.990 -13.305 -6.132 130 2HD1 ILE 23 1HD1 ILE 23 4.993 -13.022 -7.860 131 3HD1 ILE 23 3HD1 ILE 23 6.438 -13.605 -7.071 132 H GLU 24 H GLU 24 5.193 -10.233 -2.096 133 HA GLU 24 HA GLU 24 5.788 -7.659 -1.807 134 1HB GLU 24 2HB GLU 24 5.914 -9.784 0.067 135 2HB GLU 24 1HB GLU 24 7.528 -9.133 0.152 136 1HG GLU 24 2HG GLU 24 5.140 -7.233 0.341 137 2HG GLU 24 1HG GLU 24 5.744 -8.071 1.749 138 H SER 25 H SER 25 8.235 -9.937 -1.827 139 HA SER 25 HA SER 25 10.621 -8.805 -1.679 140 1HB SER 25 2HB SER 25 9.704 -10.571 -3.981 141 2HB SER 25 1HB SER 25 11.409 -10.369 -3.530 142 HG SER 25 HG SER 25 11.009 -11.743 -1.957 143 H LEU 26 H LEU 26 8.731 -8.485 -4.415 144 HA LEU 26 HA LEU 26 10.430 -6.322 -5.544 145 1HB LEU 26 2HB LEU 26 8.473 -6.987 -7.487 146 2HB LEU 26 1HB LEU 26 10.191 -7.291 -7.583 147 HG LEU 26 HG LEU 26 8.290 -9.034 -6.119 148 1HD1 LEU 26 3HD1 LEU 26 9.078 -9.232 -9.075 149 2HD1 LEU 26 2HD1 LEU 26 8.245 -10.508 -8.213 150 3HD1 LEU 26 1HD1 LEU 26 7.465 -8.956 -8.439 151 1HD2 LEU 26 3HD2 LEU 26 10.908 -9.289 -5.882 152 2HD2 LEU 26 2HD2 LEU 26 10.039 -10.758 -6.303 153 3HD2 LEU 26 1HD2 LEU 26 10.891 -9.853 -7.537 154 H ASP 27 H ASP 27 7.177 -7.261 -4.726 155 HA ASP 27 HA ASP 27 6.498 -4.410 -4.564 156 1HB ASP 27 2HB ASP 27 5.383 -6.263 -6.658 157 2HB ASP 27 1HB ASP 27 4.273 -5.085 -5.987 158 H SER 28 H SER 28 4.182 -7.032 -4.793 159 HA SER 28 HA SER 28 3.591 -6.916 -1.886 160 1HB SER 28 2HB SER 28 1.823 -5.490 -1.884 161 2HB SER 28 1HB SER 28 2.616 -4.818 -3.292 162 HG SER 28 HG SER 28 1.124 -5.638 -4.564 163 H TYR 29 H TYR 29 0.803 -7.651 -2.845 164 HA TYR 29 HA TYR 29 1.443 -10.607 -3.180 165 1HB TYR 29 2HB TYR 29 -0.238 -10.592 -1.460 166 2HB TYR 29 1HB TYR 29 -0.859 -9.027 -1.962 167 HD1 TYR 29 HD2 TYR 29 -0.632 -12.457 -3.470 168 HD2 TYR 29 HD1 TYR 29 -3.083 -9.075 -2.734 169 HE1 TYR 29 HE2 TYR 29 -2.457 -13.516 -4.650 170 HE2 TYR 29 HE1 TYR 29 -4.911 -10.157 -3.889 171 HH TYR 29 HH TYR 29 -5.638 -12.447 -4.512 172 H THR 30 H THR 30 0.886 -11.798 -4.781 173 HA THR 30 HA THR 30 -0.688 -10.627 -6.951 174 HB THR 30 HB THR 30 1.970 -10.156 -6.795 175 HG1 THR 30 HG1 THR 30 1.189 -10.576 -9.394 176 1HG2 THR 30 3HG2 THR 30 2.524 -12.613 -7.104 177 2HG2 THR 30 2HG2 THR 30 1.814 -12.561 -8.710 178 3HG2 THR 30 1HG2 THR 30 3.216 -11.564 -8.328 179 H CYS 31 H CYS 31 -0.610 -12.351 -8.843 180 HA CYS 31 HA CYS 31 -0.900 -15.026 -7.513 181 1HB CYS 31 2HB CYS 31 -2.854 -13.440 -8.864 182 2HB CYS 31 1HB CYS 31 -2.446 -14.727 -9.967 183 H ASN 32 H ASN 32 -0.007 -16.740 -8.686 184 HA ASN 32 HA ASN 32 1.938 -15.938 -10.848 185 1HB ASN 32 2HB ASN 32 2.719 -17.326 -8.757 186 2HB ASN 32 1HB ASN 32 1.790 -18.655 -9.435 187 1HD2 ASN 32 2HD2 ASN 32 4.485 -19.430 -11.600 188 2HD2 ASN 32 1HD2 ASN 32 3.291 -20.031 -10.548 189 H CYS 33 H CYS 33 0.780 -15.886 -12.620 190 HA CYS 33 HA CYS 33 -1.364 -17.825 -13.029 191 1HB CYS 33 2HB CYS 33 -0.338 -15.659 -14.965 192 2HB CYS 33 1HB CYS 33 -1.806 -16.537 -15.017 193 H VAL 34 H VAL 34 -1.397 -18.733 -15.391 194 HA VAL 34 HA VAL 34 0.915 -20.448 -15.403 195 HB VAL 34 HB VAL 34 -1.452 -21.229 -15.847 196 1HG1 VAL 34 2HG1 VAL 34 -1.975 -19.156 -17.219 197 2HG1 VAL 34 1HG1 VAL 34 -1.467 -20.097 -18.609 198 3HG1 VAL 34 3HG1 VAL 34 -2.752 -20.685 -17.582 199 1HG2 VAL 34 2HG2 VAL 34 0.545 -22.535 -16.918 200 2HG2 VAL 34 1HG2 VAL 34 -1.078 -22.845 -17.508 201 3HG2 VAL 34 3HG2 VAL 34 -0.013 -21.820 -18.437 202 H ILE 35 H ILE 35 1.969 -21.029 -17.172 203 HA ILE 35 HA ILE 35 3.579 -19.061 -18.370 204 HB ILE 35 HB ILE 35 4.375 -21.291 -18.482 205 1HG1 ILE 35 2HG1 ILE 35 3.393 -20.961 -21.356 206 2HG1 ILE 35 1HG1 ILE 35 4.627 -19.915 -20.697 207 1HG2 ILE 35 2HG2 ILE 35 1.700 -22.025 -19.737 208 2HG2 ILE 35 1HG2 ILE 35 3.063 -23.123 -19.725 209 3HG2 ILE 35 3HG2 ILE 35 2.371 -22.604 -18.212 210 1HD1 ILE 35 3HD1 ILE 35 5.638 -22.406 -19.998 211 2HD1 ILE 35 2HD1 ILE 35 4.826 -22.761 -21.511 212 3HD1 ILE 35 1HD1 ILE 35 6.075 -21.534 -21.453 213 H GLY 36 H GLY 36 0.485 -20.097 -19.169 214 1HA GLY 36 2HA GLY 36 0.399 -18.785 -21.794 215 2HA GLY 36 1HA GLY 36 -0.839 -19.804 -21.111 216 H TYR 37 H TYR 37 -0.608 -17.972 -18.640 217 HA TYR 37 HA TYR 37 -2.239 -15.612 -19.482 218 1HB TYR 37 2HB TYR 37 -2.622 -17.167 -16.896 219 2HB TYR 37 1HB TYR 37 -3.734 -16.048 -17.667 220 HD1 TYR 37 HD2 TYR 37 -3.484 -17.464 -20.503 221 HD2 TYR 37 HD1 TYR 37 -4.363 -18.970 -16.649 222 HE1 TYR 37 HE2 TYR 37 -4.713 -19.249 -21.519 223 HE2 TYR 37 HE1 TYR 37 -5.633 -20.803 -17.705 224 HH TYR 37 HH TYR 37 -5.345 -21.723 -20.823 225 H SER 38 H SER 38 -1.181 -13.823 -19.079 226 HA SER 38 HA SER 38 0.702 -13.928 -16.756 227 1HB SER 38 2HB SER 38 1.894 -14.249 -18.975 228 2HB SER 38 1HB SER 38 1.368 -12.632 -19.459 229 HG SER 38 HG SER 38 3.362 -13.338 -17.766 230 H GLY 39 H GLY 39 1.608 -11.275 -17.619 231 1HA GLY 39 2HA GLY 39 1.045 -9.002 -17.426 232 2HA GLY 39 1HA GLY 39 -0.641 -9.429 -17.122 233 H ASP 40 H ASP 40 -0.328 -11.244 -15.147 234 HA ASP 40 HA ASP 40 1.069 -11.357 -12.935 235 1HB ASP 40 2HB ASP 40 0.382 -8.440 -13.150 236 2HB ASP 40 1HB ASP 40 -0.068 -9.124 -11.646 237 H ARG 41 H ARG 41 -1.994 -11.036 -14.222 238 HA ARG 41 HA ARG 41 -3.256 -12.068 -11.786 239 1HB ARG 41 2HB ARG 41 -3.525 -9.470 -12.622 240 2HB ARG 41 1HB ARG 41 -4.762 -10.192 -13.609 241 1HG ARG 41 2HG ARG 41 -4.666 -10.835 -10.722 242 2HG ARG 41 1HG ARG 41 -5.236 -9.256 -11.236 243 1HD ARG 41 2HD ARG 41 -6.419 -11.259 -12.880 244 2HD ARG 41 1HD ARG 41 -6.775 -11.554 -11.200 245 HE ARG 41 HE ARG 41 -7.359 -8.952 -12.497 246 1HH1 ARG 41 2HH1 ARG 41 -8.064 -7.985 -10.331 247 2HH1 ARG 41 1HH1 ARG 41 -9.464 -8.784 -9.657 248 1HH2 ARG 41 1HH2 ARG 41 -9.047 -11.584 -11.683 249 2HH2 ARG 41 2HH2 ARG 41 -10.024 -10.840 -10.461 250 H CYS 42 H CYS 42 -2.438 -12.565 -14.885 251 HA CYS 42 HA CYS 42 -2.994 -14.085 -16.427 252 1HB CYS 42 2HB CYS 42 -5.389 -15.294 -15.127 253 2HB CYS 42 1HB CYS 42 -3.931 -16.073 -15.654 254 H GLN 43 H GLN 43 -3.970 -11.604 -16.223 255 HA GLN 43 HA GLN 43 -6.809 -11.512 -17.019 256 1HB GLN 43 2HB GLN 43 -6.395 -9.064 -17.048 257 2HB GLN 43 1HB GLN 43 -5.885 -9.760 -15.511 258 1HG GLN 43 2HG GLN 43 -3.674 -9.810 -17.414 259 2HG GLN 43 1HG GLN 43 -4.342 -8.186 -17.259 260 1HE2 GLN 43 2HE2 GLN 43 -1.869 -9.403 -14.520 261 2HE2 GLN 43 1HE2 GLN 43 -2.030 -10.183 -16.040 262 H THR 44 H THR 44 -3.812 -11.882 -18.326 263 HA THR 44 HA THR 44 -4.739 -11.279 -21.107 264 HB THR 44 HB THR 44 -3.018 -9.790 -19.992 265 HG1 THR 44 HG1 THR 44 -1.586 -10.565 -22.156 266 1HG2 THR 44 2HG2 THR 44 -1.751 -11.677 -19.003 267 2HG2 THR 44 1HG2 THR 44 -0.944 -11.869 -20.548 268 3HG2 THR 44 3HG2 THR 44 -0.814 -10.343 -19.658 269 H ARG 45 H ARG 45 -5.508 -13.333 -21.334 270 HA ARG 45 HA ARG 45 -3.836 -15.611 -20.643 271 1HB ARG 45 2HB ARG 45 -6.569 -15.250 -21.958 272 2HB ARG 45 1HB ARG 45 -5.732 -16.759 -21.955 273 1HG ARG 45 2HG ARG 45 -6.734 -17.080 -20.027 274 2HG ARG 45 1HG ARG 45 -5.380 -16.164 -19.384 275 1HD ARG 45 2HD ARG 45 -7.219 -15.036 -18.402 276 2HD ARG 45 1HD ARG 45 -6.832 -14.029 -19.763 277 HE ARG 45 HE ARG 45 -8.698 -15.080 -21.002 278 1HH1 ARG 45 2HH1 ARG 45 -8.923 -17.500 -19.547 279 2HH1 ARG 45 1HH1 ARG 45 -10.300 -17.322 -18.522 280 1HH2 ARG 45 1HH2 ARG 45 -10.098 -13.785 -18.925 281 2HH2 ARG 45 2HH2 ARG 45 -11.046 -15.020 -18.150 282 H ASP 46 H ASP 46 -2.099 -15.516 -21.840 283 HA ASP 46 HA ASP 46 -2.294 -14.739 -24.550 284 1HB ASP 46 2HB ASP 46 -0.050 -14.696 -23.337 285 2HB ASP 46 1HB ASP 46 -0.107 -16.446 -23.172 286 H LEU 47 H LEU 47 -2.596 -17.579 -22.881 287 HA LEU 47 HA LEU 47 -3.893 -19.463 -23.342 288 1HB LEU 47 2HB LEU 47 -3.169 -19.046 -26.335 289 2HB LEU 47 1HB LEU 47 -4.233 -20.292 -25.733 290 HG LEU 47 HG LEU 47 -4.902 -17.418 -25.081 291 1HD1 LEU 47 1HD1 LEU 47 -4.586 -17.522 -27.540 292 2HD1 LEU 47 3HD1 LEU 47 -5.710 -18.871 -27.640 293 3HD1 LEU 47 2HD1 LEU 47 -6.264 -17.291 -27.106 294 1HD2 LEU 47 3HD2 LEU 47 -6.074 -19.480 -24.018 295 2HD2 LEU 47 2HD2 LEU 47 -7.109 -18.302 -24.793 296 3HD2 LEU 47 1HD2 LEU 47 -6.725 -19.803 -25.616 297 H ARG 48 HN ARG 48 -2.679 -21.343 -25.496 298 HA ARG 48 HA ARG 48 -1.044 -23.037 -25.310 299 1HB ARG 48 2HB ARG 48 0.751 -20.580 -25.068 300 2HB ARG 48 1HB ARG 48 1.234 -22.130 -25.710 301 1HG ARG 48 2HG ARG 48 0.365 -21.712 -27.789 302 2HG ARG 48 1HG ARG 48 -1.100 -20.990 -27.167 303 1HD ARG 48 2HD ARG 48 -0.288 -18.869 -27.425 304 2HD ARG 48 1HD ARG 48 1.225 -19.244 -26.629 305 HE ARG 48 HE ARG 48 0.716 -19.841 -29.531 306 1HH1 ARG 48 1HH1 ARG 48 2.933 -21.150 -29.478 307 2HH1 ARG 48 2HH1 ARG 48 4.280 -20.086 -29.318 308 1HH2 ARG 48 1HH2 ARG 48 2.175 -17.501 -28.128 309 2HH2 ARG 48 2HH2 ARG 48 3.825 -17.874 -28.489 No H/Q in entry = 309 Start of MODEL 8 1 1H PRO 4 1H PRO 4 1.510 0.492 0.422 2 2H PRO 4 2H PRO 4 0.712 1.874 -0.173 3 HA PRO 4 HA PRO 4 0.966 1.228 -2.244 4 1HB PRO 4 2HB PRO 4 3.716 0.397 -2.546 5 2HB PRO 4 1HB PRO 4 3.068 2.004 -2.876 6 1HG PRO 4 2HG PRO 4 4.446 0.949 -0.424 7 2HG PRO 4 1HG PRO 4 4.495 2.571 -1.105 8 1HD PRO 4 2HD PRO 4 3.039 1.987 1.114 9 2HD PRO 4 1HD PRO 4 2.479 3.190 -0.054 10 H GLY 5 H GLY 5 0.497 -0.665 -3.327 11 1HA GLY 5 2HA GLY 5 1.194 -3.078 -3.675 12 2HA GLY 5 1HA GLY 5 1.181 -3.216 -1.914 13 1HN ABA 6 HN ABA 6 -0.297 -5.020 -2.934 14 HA ABA 6 HA ABA 6 -3.049 -4.058 -2.446 15 1HB ABA 6 1HB ABA 6 -2.653 -5.974 -4.706 16 2HB ABA 6 2HB ABA 6 -2.193 -4.307 -4.994 17 1HG ABA 6 1HG ABA 6 -4.939 -5.337 -4.166 18 2HG ABA 6 2HG ABA 6 -4.505 -4.555 -5.679 19 3HG ABA 6 3HG ABA 6 -4.530 -3.626 -4.192 20 HA PRO 7 HA PRO 7 -2.374 -8.461 -0.788 21 1HB PRO 7 2HB PRO 7 -2.023 -7.688 1.969 22 2HB PRO 7 1HB PRO 7 -0.831 -8.490 0.951 23 1HG PRO 7 2HG PRO 7 -0.763 -5.762 1.879 24 2HG PRO 7 1HG PRO 7 0.376 -6.539 0.799 25 1HD PRO 7 2HD PRO 7 -1.741 -4.602 0.110 26 2HD PRO 7 1HD PRO 7 -0.398 -5.216 -0.871 27 H SER 8 H SER 8 -3.477 -5.680 0.866 28 HA SER 8 HA SER 8 -5.443 -6.025 2.447 29 1HB SER 8 2HB SER 8 -5.650 -4.312 -0.039 30 2HB SER 8 1HB SER 8 -6.344 -3.930 1.561 31 HG SER 8 HG SER 8 -4.356 -3.379 2.187 32 H SER 9 H SER 9 -6.099 -6.742 -0.975 33 HA SER 9 HA SER 9 -8.417 -8.298 -0.112 34 1HB SER 9 2HB SER 9 -8.487 -6.007 -2.150 35 2HB SER 9 1HB SER 9 -9.826 -7.110 -1.835 36 HG SER 9 HG SER 9 -8.960 -6.304 0.544 37 H TYR 10 H TYR 10 -8.185 -10.242 -1.031 38 HA TYR 10 HA TYR 10 -6.817 -10.408 -3.598 39 1HB TYR 10 2HB TYR 10 -6.411 -12.876 -2.727 40 2HB TYR 10 1HB TYR 10 -5.422 -11.580 -2.095 41 HD1 TYR 10 HD2 TYR 10 -8.245 -13.780 -1.332 42 HD2 TYR 10 HD1 TYR 10 -5.641 -10.768 0.190 43 HE1 TYR 10 HE2 TYR 10 -9.018 -14.264 0.935 44 HE2 TYR 10 HE1 TYR 10 -6.425 -11.258 2.467 45 HH TYR 10 HH TYR 10 -9.051 -13.499 3.076 46 H ASP 11 H ASP 11 -9.722 -10.160 -2.738 47 HA ASP 11 HA ASP 11 -10.941 -12.587 -3.698 48 1HB ASP 11 2HB ASP 11 -12.007 -9.837 -2.896 49 2HB ASP 11 1HB ASP 11 -13.069 -10.989 -3.674 50 H GLY 12 H GLY 12 -11.501 -12.930 -5.843 51 1HA GLY 12 2HA GLY 12 -11.433 -12.619 -8.192 52 2HA GLY 12 1HA GLY 12 -12.104 -11.023 -7.828 53 H TYR 13 H TYR 13 -9.069 -12.152 -6.656 54 HA TYR 13 HA TYR 13 -7.714 -9.899 -7.971 55 1HB TYR 13 2HB TYR 13 -7.499 -10.474 -5.536 56 2HB TYR 13 1HB TYR 13 -6.562 -11.906 -5.977 57 HD1 TYR 13 HD1 TYR 13 -4.440 -11.544 -7.373 58 HD2 TYR 13 HD2 TYR 13 -6.476 -8.336 -5.445 59 HE1 TYR 13 HE1 TYR 13 -2.465 -10.173 -7.589 60 HE2 TYR 13 HE2 TYR 13 -4.465 -6.965 -5.645 61 HH TYR 13 HH TYR 13 -1.560 -8.071 -6.077 62 H CYS 14 H CYS 14 -8.119 -13.193 -8.580 63 HA CYS 14 HA CYS 14 -5.862 -13.153 -10.533 64 1HB CYS 14 2HB CYS 14 -6.830 -15.567 -8.991 65 2HB CYS 14 1HB CYS 14 -5.376 -15.402 -9.952 66 H LEU 15 H LEU 15 -6.479 -13.986 -12.541 67 HA LEU 15 HA LEU 15 -9.414 -14.359 -12.928 68 1HB LEU 15 2HB LEU 15 -7.200 -13.320 -14.622 69 2HB LEU 15 1HB LEU 15 -8.204 -14.445 -15.466 70 HG LEU 15 HG LEU 15 -10.214 -12.949 -14.582 71 1HD1 LEU 15 3HD1 LEU 15 -7.833 -11.035 -14.542 72 2HD1 LEU 15 2HD1 LEU 15 -9.502 -10.550 -14.386 73 3HD1 LEU 15 1HD1 LEU 15 -8.755 -11.512 -13.126 74 1HD2 LEU 15 2HD2 LEU 15 -8.656 -13.034 -17.011 75 2HD2 LEU 15 1HD2 LEU 15 -10.278 -12.409 -16.823 76 3HD2 LEU 15 3HD2 LEU 15 -8.905 -11.340 -16.659 77 H ASN 16 H ASN 16 -6.449 -16.003 -13.357 78 HA ASN 16 HA ASN 16 -7.892 -18.533 -13.745 79 1HB ASN 16 2HB ASN 16 -6.113 -17.346 -15.857 80 2HB ASN 16 1HB ASN 16 -6.409 -19.098 -15.764 81 1HD2 ASN 16 2HD2 ASN 16 -9.247 -16.755 -17.249 82 2HD2 ASN 16 1HD2 ASN 16 -7.712 -16.121 -16.880 83 H GLY 17 H GLY 17 -4.416 -18.284 -14.613 84 1HA GLY 17 2HA GLY 17 -3.647 -20.667 -13.405 85 2HA GLY 17 1HA GLY 17 -2.548 -19.342 -13.670 86 H GLY 18 H GLY 18 -4.077 -17.605 -12.214 87 1HA GLY 18 2HA GLY 18 -3.460 -16.566 -10.171 88 2HA GLY 18 1HA GLY 18 -4.994 -17.370 -9.939 89 H VAL 19 H VAL 19 -1.557 -18.132 -9.561 90 HA VAL 19 HA VAL 19 -2.322 -19.581 -7.111 91 HB VAL 19 HB VAL 19 -0.023 -19.566 -9.115 92 1HG1 VAL 19 2HG1 VAL 19 0.490 -20.009 -6.167 93 2HG1 VAL 19 1HG1 VAL 19 1.504 -20.761 -7.400 94 3HG1 VAL 19 3HG1 VAL 19 1.377 -19.016 -7.307 95 1HG2 VAL 19 3HG2 VAL 19 -1.252 -21.790 -7.459 96 2HG2 VAL 19 2HG2 VAL 19 -1.603 -21.401 -9.140 97 3HG2 VAL 19 1HG2 VAL 19 -0.024 -22.015 -8.699 98 1HN ABA 20 HN ABA 20 -2.876 -18.070 -5.927 99 HA ABA 20 HA ABA 20 -1.852 -15.462 -5.638 100 1HB ABA 20 1HB ABA 20 -3.392 -17.292 -3.784 101 2HB ABA 20 2HB ABA 20 -4.024 -16.167 -4.942 102 1HG ABA 20 1HG ABA 20 -2.154 -14.888 -2.925 103 2HG ABA 20 2HG ABA 20 -3.450 -15.723 -2.148 104 3HG ABA 20 3HG ABA 20 -3.816 -14.438 -3.272 105 H MET 21 H MET 21 0.288 -15.288 -5.381 106 HA MET 21 HA MET 21 1.487 -16.506 -2.918 107 1HB MET 21 2HB MET 21 3.704 -16.339 -4.184 108 2HB MET 21 1HB MET 21 2.584 -17.489 -4.878 109 1HG MET 21 2HG MET 21 1.959 -15.909 -6.629 110 2HG MET 21 1HG MET 21 2.876 -14.636 -5.876 111 1HE MET 21 1HE MET 21 3.402 -18.306 -6.868 112 2HE MET 21 3HE MET 21 4.964 -18.293 -7.682 113 3HE MET 21 2HE MET 21 4.881 -18.048 -5.940 114 H HIS 22 H HIS 22 3.154 -14.993 -1.949 115 HA HIS 22 HA HIS 22 2.177 -12.217 -2.417 116 1HB HIS 22 2HB HIS 22 2.060 -13.144 -0.169 117 2HB HIS 22 1HB HIS 22 3.832 -13.337 -0.177 118 HD1 HIS 22 HD1 HIS 22 3.281 -10.226 -1.812 119 HD2 HIS 22 HD2 HIS 22 3.073 -11.540 2.135 120 HE1 HIS 22 HE1 HIS 22 3.483 -8.299 -0.305 121 H ILE 23 H ILE 23 3.496 -10.978 -3.639 122 HA ILE 23 HA ILE 23 6.190 -11.967 -4.082 123 HB ILE 23 HB ILE 23 4.106 -11.255 -5.778 124 1HG1 ILE 23 2HG1 ILE 23 6.190 -11.084 -7.427 125 2HG1 ILE 23 1HG1 ILE 23 7.019 -11.786 -6.063 126 1HG2 ILE 23 2HG2 ILE 23 4.760 -8.836 -5.083 127 2HG2 ILE 23 1HG2 ILE 23 6.097 -9.031 -6.175 128 3HG2 ILE 23 3HG2 ILE 23 4.442 -9.143 -6.773 129 1HD1 ILE 23 1HD1 ILE 23 4.995 -13.516 -6.071 130 2HD1 ILE 23 3HD1 ILE 23 4.774 -12.955 -7.720 131 3HD1 ILE 23 2HD1 ILE 23 6.276 -13.706 -7.248 132 H GLU 24 H GLU 24 5.253 -10.319 -1.795 133 HA GLU 24 HA GLU 24 5.885 -7.644 -1.769 134 1HB GLU 24 2HB GLU 24 5.821 -9.641 0.306 135 2HB GLU 24 1HB GLU 24 7.401 -8.926 0.462 136 1HG GLU 24 2HG GLU 24 5.033 -7.021 0.214 137 2HG GLU 24 1HG GLU 24 5.325 -7.813 1.743 138 H SER 25 H SER 25 7.974 -10.205 -1.940 139 HA SER 25 HA SER 25 10.524 -9.457 -1.680 140 1HB SER 25 2HB SER 25 9.725 -10.888 -4.235 141 2HB SER 25 1HB SER 25 10.952 -11.399 -3.068 142 HG SER 25 HG SER 25 9.387 -12.488 -2.121 143 H LEU 26 H LEU 26 8.624 -8.816 -4.348 144 HA LEU 26 HA LEU 26 10.497 -6.777 -5.437 145 1HB LEU 26 2HB LEU 26 8.552 -7.297 -7.447 146 2HB LEU 26 1HB LEU 26 10.254 -7.680 -7.507 147 HG LEU 26 HG LEU 26 8.257 -9.382 -6.096 148 1HD1 LEU 26 3HD1 LEU 26 8.991 -9.411 -9.076 149 2HD1 LEU 26 2HD1 LEU 26 8.254 -10.798 -8.302 150 3HD1 LEU 26 1HD1 LEU 26 7.386 -9.276 -8.377 151 1HD2 LEU 26 1HD2 LEU 26 10.850 -9.755 -5.852 152 2HD2 LEU 26 3HD2 LEU 26 9.992 -11.172 -6.445 153 3HD2 LEU 26 2HD2 LEU 26 10.879 -10.147 -7.555 154 H ASP 27 H ASP 27 7.197 -7.498 -4.628 155 HA ASP 27 HA ASP 27 6.688 -4.614 -4.508 156 1HB ASP 27 2HB ASP 27 5.615 -6.347 -6.684 157 2HB ASP 27 1HB ASP 27 4.398 -5.324 -5.949 158 H SER 28 H SER 28 4.265 -7.141 -4.736 159 HA SER 28 HA SER 28 3.660 -6.921 -1.829 160 1HB SER 28 2HB SER 28 1.992 -5.373 -1.881 161 2HB SER 28 1HB SER 28 2.757 -4.855 -3.367 162 HG SER 28 HG SER 28 1.210 -5.727 -4.522 163 H TYR 29 H TYR 29 0.850 -7.608 -2.722 164 HA TYR 29 HA TYR 29 1.453 -10.569 -3.013 165 1HB TYR 29 2HB TYR 29 -0.214 -10.512 -1.311 166 2HB TYR 29 1HB TYR 29 -0.854 -8.973 -1.887 167 HD1 TYR 29 HD2 TYR 29 -0.433 -12.439 -3.207 168 HD2 TYR 29 HD1 TYR 29 -3.087 -9.141 -2.800 169 HE1 TYR 29 HE2 TYR 29 -2.102 -13.614 -4.475 170 HE2 TYR 29 HE1 TYR 29 -4.773 -10.365 -4.053 171 HH TYR 29 HH TYR 29 -4.045 -13.497 -5.547 172 H THR 30 H THR 30 0.881 -11.799 -4.629 173 HA THR 30 HA THR 30 -0.727 -10.635 -6.742 174 HB THR 30 HB THR 30 1.866 -9.991 -6.629 175 HG1 THR 30 HG1 THR 30 0.725 -9.205 -8.335 176 1HG2 THR 30 1HG2 THR 30 2.578 -12.484 -6.981 177 2HG2 THR 30 3HG2 THR 30 1.883 -12.355 -8.591 178 3HG2 THR 30 2HG2 THR 30 3.225 -11.324 -8.138 179 H CYS 31 H CYS 31 -0.376 -12.312 -8.720 180 HA CYS 31 HA CYS 31 -0.676 -15.026 -7.471 181 1HB CYS 31 2HB CYS 31 -2.655 -13.453 -8.860 182 2HB CYS 31 1HB CYS 31 -2.246 -14.796 -9.877 183 H ASN 32 H ASN 32 0.003 -16.736 -8.803 184 HA ASN 32 HA ASN 32 1.899 -15.883 -11.005 185 1HB ASN 32 2HB ASN 32 2.941 -17.308 -9.133 186 2HB ASN 32 1HB ASN 32 1.782 -18.583 -9.522 187 1HD2 ASN 32 2HD2 ASN 32 4.383 -19.551 -11.805 188 2HD2 ASN 32 1HD2 ASN 32 3.771 -19.887 -10.248 189 H CYS 33 H CYS 33 0.941 -16.058 -12.821 190 HA CYS 33 HA CYS 33 -1.401 -17.783 -13.094 191 1HB CYS 33 2HB CYS 33 -0.312 -15.547 -14.859 192 2HB CYS 33 1HB CYS 33 -1.811 -16.367 -15.043 193 H VAL 34 H VAL 34 -1.526 -18.895 -15.256 194 HA VAL 34 HA VAL 34 0.803 -20.503 -15.456 195 HB VAL 34 HB VAL 34 -1.486 -21.348 -16.065 196 1HG1 VAL 34 1HG1 VAL 34 -1.745 -18.917 -17.314 197 2HG1 VAL 34 3HG1 VAL 34 -2.039 -20.137 -18.544 198 3HG1 VAL 34 2HG1 VAL 34 -2.911 -20.196 -17.025 199 1HG2 VAL 34 1HG2 VAL 34 0.413 -22.418 -17.409 200 2HG2 VAL 34 3HG2 VAL 34 -1.160 -22.451 -18.195 201 3HG2 VAL 34 2HG2 VAL 34 0.018 -21.281 -18.702 202 H ILE 35 H ILE 35 1.962 -20.928 -17.200 203 HA ILE 35 HA ILE 35 3.630 -18.937 -18.106 204 HB ILE 35 HB ILE 35 4.309 -21.199 -18.431 205 1HG1 ILE 35 2HG1 ILE 35 3.639 -20.548 -21.322 206 2HG1 ILE 35 1HG1 ILE 35 4.768 -19.534 -20.443 207 1HG2 ILE 35 3HG2 ILE 35 1.688 -21.545 -19.912 208 2HG2 ILE 35 2HG2 ILE 35 2.974 -22.721 -20.065 209 3HG2 ILE 35 1HG2 ILE 35 2.269 -22.423 -18.502 210 1HD1 ILE 35 3HD1 ILE 35 6.070 -21.675 -19.847 211 2HD1 ILE 35 2HD1 ILE 35 5.058 -22.513 -21.012 212 3HD1 ILE 35 1HD1 ILE 35 6.125 -21.227 -21.537 213 H GLY 36 H GLY 36 0.573 -19.674 -19.307 214 1HA GLY 36 2HA GLY 36 0.907 -17.926 -21.668 215 2HA GLY 36 1HA GLY 36 -0.449 -18.985 -21.420 216 H TYR 37 H TYR 37 -0.770 -17.962 -18.595 217 HA TYR 37 HA TYR 37 -2.253 -15.491 -19.357 218 1HB TYR 37 2HB TYR 37 -2.519 -17.087 -16.808 219 2HB TYR 37 1HB TYR 37 -3.647 -15.927 -17.491 220 HD1 TYR 37 HD1 TYR 37 -3.019 -17.483 -20.426 221 HD2 TYR 37 HD2 TYR 37 -4.613 -18.488 -16.630 222 HE1 TYR 37 HE1 TYR 37 -4.325 -19.245 -21.433 223 HE2 TYR 37 HE2 TYR 37 -5.949 -20.265 -17.673 224 HH TYR 37 HH TYR 37 -5.891 -21.633 -19.660 225 H SER 38 H SER 38 -1.264 -13.660 -18.964 226 HA SER 38 HA SER 38 0.565 -13.675 -16.610 227 1HB SER 38 2HB SER 38 1.876 -13.998 -18.695 228 2HB SER 38 1HB SER 38 1.212 -12.504 -19.375 229 HG SER 38 HG SER 38 3.182 -12.843 -17.517 230 H GLY 39 H GLY 39 1.277 -10.919 -17.701 231 1HA GLY 39 2HA GLY 39 0.655 -8.698 -17.348 232 2HA GLY 39 1HA GLY 39 -1.027 -9.212 -17.344 233 H ASP 40 H ASP 40 0.243 -11.164 -15.109 234 HA ASP 40 HA ASP 40 0.863 -10.943 -12.785 235 1HB ASP 40 2HB ASP 40 1.081 -8.354 -13.200 236 2HB ASP 40 1HB ASP 40 -0.595 -8.298 -12.700 237 H ARG 41 H ARG 41 -2.041 -10.984 -14.355 238 HA ARG 41 HA ARG 41 -3.447 -11.857 -11.926 239 1HB ARG 41 2HB ARG 41 -3.829 -9.310 -13.050 240 2HB ARG 41 1HB ARG 41 -5.075 -10.223 -13.821 241 1HG ARG 41 2HG ARG 41 -4.696 -10.568 -10.904 242 2HG ARG 41 1HG ARG 41 -5.250 -9.010 -11.491 243 1HD ARG 41 2HD ARG 41 -6.669 -11.014 -12.890 244 2HD ARG 41 1HD ARG 41 -6.728 -11.408 -11.214 245 HE ARG 41 HE ARG 41 -8.478 -9.675 -12.177 246 1HH1 ARG 41 2HH1 ARG 41 -6.274 -9.544 -9.654 247 2HH1 ARG 41 1HH1 ARG 41 -6.677 -7.944 -9.128 248 1HH2 ARG 41 1HH2 ARG 41 -8.780 -7.550 -11.935 249 2HH2 ARG 41 2HH2 ARG 41 -8.221 -6.705 -10.524 250 H CYS 42 H CYS 42 -2.514 -12.624 -14.899 251 HA CYS 42 HA CYS 42 -3.051 -14.198 -16.357 252 1HB CYS 42 2HB CYS 42 -5.413 -15.371 -14.938 253 2HB CYS 42 1HB CYS 42 -3.969 -16.184 -15.461 254 H GLN 43 H GLN 43 -4.129 -11.767 -16.288 255 HA GLN 43 HA GLN 43 -6.953 -11.849 -17.086 256 1HB GLN 43 2HB GLN 43 -6.615 -9.373 -17.292 257 2HB GLN 43 1HB GLN 43 -6.141 -9.982 -15.703 258 1HG GLN 43 2HG GLN 43 -3.829 -10.154 -17.378 259 2HG GLN 43 1HG GLN 43 -4.568 -8.586 -17.678 260 1HE2 GLN 43 2HE2 GLN 43 -2.263 -9.024 -14.607 261 2HE2 GLN 43 1HE2 GLN 43 -2.325 -10.121 -15.926 262 H THR 44 H THR 44 -3.899 -11.800 -18.419 263 HA THR 44 HA THR 44 -5.001 -11.447 -21.190 264 HB THR 44 HB THR 44 -3.245 -9.797 -20.205 265 HG1 THR 44 HG1 THR 44 -2.028 -10.799 -22.432 266 1HG2 THR 44 3HG2 THR 44 -1.826 -11.626 -19.207 267 2HG2 THR 44 2HG2 THR 44 -1.261 -11.980 -20.832 268 3HG2 THR 44 1HG2 THR 44 -0.973 -10.383 -20.120 269 H ARG 45 H ARG 45 -5.776 -13.448 -21.016 270 HA ARG 45 HA ARG 45 -4.193 -15.715 -20.247 271 1HB ARG 45 2HB ARG 45 -6.786 -15.584 -21.807 272 2HB ARG 45 1HB ARG 45 -6.179 -16.918 -20.873 273 1HG ARG 45 2HG ARG 45 -6.333 -15.664 -18.795 274 2HG ARG 45 1HG ARG 45 -6.802 -14.208 -19.648 275 1HD ARG 45 2HD ARG 45 -8.469 -16.711 -19.377 276 2HD ARG 45 1HD ARG 45 -8.882 -15.080 -18.848 277 HE ARG 45 HE ARG 45 -8.556 -15.870 -21.729 278 1HH1 ARG 45 2HH1 ARG 45 -9.683 -13.542 -19.521 279 2HH1 ARG 45 1HH1 ARG 45 -11.001 -13.047 -20.523 280 1HH2 ARG 45 1HH2 ARG 45 -10.287 -15.511 -22.898 281 2HH2 ARG 45 2HH2 ARG 45 -11.362 -14.194 -22.552 282 H ASP 46 H ASP 46 -2.429 -15.427 -21.551 283 HA ASP 46 HA ASP 46 -2.903 -15.297 -24.396 284 1HB ASP 46 2HB ASP 46 -0.755 -14.327 -23.115 285 2HB ASP 46 1HB ASP 46 -0.155 -15.972 -23.222 286 H LEU 47 H LEU 47 -4.207 -17.213 -23.986 287 HA LEU 47 HA LEU 47 -4.487 -19.534 -23.308 288 1HB LEU 47 2HB LEU 47 -4.706 -18.380 -25.964 289 2HB LEU 47 1HB LEU 47 -4.526 -20.108 -26.084 290 HG LEU 47 HG LEU 47 -6.408 -20.470 -24.510 291 1HD1 LEU 47 2HD1 LEU 47 -6.263 -17.453 -24.235 292 2HD1 LEU 47 1HD1 LEU 47 -7.834 -18.216 -24.135 293 3HD1 LEU 47 3HD1 LEU 47 -6.583 -18.656 -22.996 294 1HD2 LEU 47 1HD2 LEU 47 -6.847 -20.186 -26.988 295 2HD2 LEU 47 3HD2 LEU 47 -8.215 -19.757 -25.984 296 3HD2 LEU 47 2HD2 LEU 47 -7.222 -18.496 -26.693 297 H ARG 48 HN ARG 48 -1.487 -19.584 -23.077 298 HA ARG 48 HA ARG 48 -1.203 -22.363 -24.022 299 1HB ARG 48 2HB ARG 48 0.990 -21.902 -25.006 300 2HB ARG 48 1HB ARG 48 -0.168 -20.766 -25.660 301 1HG ARG 48 2HG ARG 48 0.693 -19.219 -23.633 302 2HG ARG 48 1HG ARG 48 2.060 -20.314 -23.705 303 1HD ARG 48 2HD ARG 48 1.864 -19.705 -26.384 304 2HD ARG 48 1HD ARG 48 1.109 -18.273 -25.710 305 HE ARG 48 HE ARG 48 3.653 -18.082 -25.947 306 1HH1 ARG 48 1HH1 ARG 48 2.276 -17.230 -23.425 307 2HH1 ARG 48 2HH1 ARG 48 3.344 -17.721 -22.160 308 1HH2 ARG 48 1HH2 ARG 48 5.056 -19.823 -24.512 309 2HH2 ARG 48 2HH2 ARG 48 5.059 -19.316 -22.854 No H/Q in entry = 309 Start of MODEL 9 1 1H PRO 4 1H PRO 4 1.543 -0.435 1.140 2 2H PRO 4 2H PRO 4 0.821 1.111 1.113 3 HA PRO 4 HA PRO 4 0.796 1.033 -1.086 4 1HB PRO 4 2HB PRO 4 3.624 0.381 -1.630 5 2HB PRO 4 1HB PRO 4 2.787 1.906 -1.928 6 1HG PRO 4 2HG PRO 4 4.662 1.478 0.086 7 2HG PRO 4 1HG PRO 4 3.509 2.809 0.057 8 1HD PRO 4 2HD PRO 4 3.502 0.345 1.712 9 2HD PRO 4 1HD PRO 4 2.685 1.883 2.007 10 H GLY 5 H GLY 5 0.425 -0.532 -2.713 11 1HA GLY 5 2HA GLY 5 1.140 -2.731 -3.695 12 2HA GLY 5 1HA GLY 5 1.297 -3.311 -2.035 13 1HN ABA 6 HN ABA 6 -0.243 -4.980 -3.041 14 HA ABA 6 HA ABA 6 -3.011 -4.071 -2.485 15 1HB ABA 6 1HB ABA 6 -3.277 -5.928 -4.577 16 2HB ABA 6 2HB ABA 6 -1.825 -5.077 -4.991 17 1HG ABA 6 1HG ABA 6 -3.681 -3.882 -6.002 18 2HG ABA 6 2HG ABA 6 -3.077 -2.887 -4.685 19 3HG ABA 6 3HG ABA 6 -4.543 -3.832 -4.474 20 HA PRO 7 HA PRO 7 -2.272 -8.482 -0.783 21 1HB PRO 7 2HB PRO 7 -1.802 -7.806 1.938 22 2HB PRO 7 1HB PRO 7 -0.592 -8.434 0.821 23 1HG PRO 7 2HG PRO 7 -0.821 -5.710 1.874 24 2HG PRO 7 1HG PRO 7 0.458 -6.388 0.891 25 1HD PRO 7 2HD PRO 7 -1.652 -4.565 0.031 26 2HD PRO 7 1HD PRO 7 -0.325 -5.232 -0.924 27 H SER 8 H SER 8 -3.349 -5.688 0.711 28 HA SER 8 HA SER 8 -5.196 -5.857 2.455 29 1HB SER 8 2HB SER 8 -5.903 -4.422 -0.126 30 2HB SER 8 1HB SER 8 -6.055 -3.833 1.536 31 HG SER 8 HG SER 8 -4.046 -3.182 1.373 32 H SER 9 H SER 9 -6.135 -6.710 -0.844 33 HA SER 9 HA SER 9 -8.238 -8.435 0.228 34 1HB SER 9 2HB SER 9 -9.569 -7.226 -1.931 35 2HB SER 9 1HB SER 9 -9.786 -6.719 -0.249 36 HG SER 9 HG SER 9 -8.343 -5.519 -2.283 37 H TYR 10 H TYR 10 -8.177 -10.305 -0.856 38 HA TYR 10 HA TYR 10 -6.883 -10.360 -3.471 39 1HB TYR 10 2HB TYR 10 -6.470 -12.896 -2.691 40 2HB TYR 10 1HB TYR 10 -5.402 -11.620 -2.176 41 HD1 TYR 10 HD1 TYR 10 -5.450 -10.670 0.025 42 HD2 TYR 10 HD2 TYR 10 -8.027 -13.901 -1.005 43 HE1 TYR 10 HE1 TYR 10 -5.883 -11.056 2.388 44 HE2 TYR 10 HE2 TYR 10 -8.464 -14.292 1.380 45 HH TYR 10 HH TYR 10 -6.780 -12.542 3.894 46 H ASP 11 H ASP 11 -9.822 -10.370 -2.360 47 HA ASP 11 HA ASP 11 -10.932 -12.779 -3.427 48 1HB ASP 11 2HB ASP 11 -12.159 -11.242 -1.773 49 2HB ASP 11 1HB ASP 11 -12.345 -10.082 -3.079 50 H GLY 12 H GLY 12 -11.643 -13.153 -5.485 51 1HA GLY 12 2HA GLY 12 -11.468 -13.007 -7.855 52 2HA GLY 12 1HA GLY 12 -12.353 -11.505 -7.586 53 H TYR 13 H TYR 13 -9.152 -12.224 -6.510 54 HA TYR 13 HA TYR 13 -8.064 -9.867 -7.915 55 1HB TYR 13 2HB TYR 13 -7.732 -10.331 -5.462 56 2HB TYR 13 1HB TYR 13 -6.775 -11.758 -5.871 57 HD1 TYR 13 HD1 TYR 13 -4.662 -11.414 -7.269 58 HD2 TYR 13 HD2 TYR 13 -6.741 -8.180 -5.441 59 HE1 TYR 13 HE1 TYR 13 -2.671 -10.045 -7.469 60 HE2 TYR 13 HE2 TYR 13 -4.744 -6.808 -5.637 61 HH TYR 13 HH TYR 13 -1.705 -8.041 -6.221 62 H CYS 14 H CYS 14 -8.074 -13.210 -8.352 63 HA CYS 14 HA CYS 14 -5.805 -13.044 -10.309 64 1HB CYS 14 2HB CYS 14 -6.855 -15.515 -8.921 65 2HB CYS 14 1HB CYS 14 -5.419 -15.313 -9.887 66 H LEU 15 H LEU 15 -6.309 -14.141 -12.380 67 HA LEU 15 HA LEU 15 -9.256 -14.299 -12.888 68 1HB LEU 15 2HB LEU 15 -7.098 -12.992 -14.271 69 2HB LEU 15 1HB LEU 15 -7.676 -14.242 -15.315 70 HG LEU 15 HG LEU 15 -10.088 -13.107 -14.605 71 1HD1 LEU 15 1HD1 LEU 15 -7.948 -10.918 -14.444 72 2HD1 LEU 15 3HD1 LEU 15 -9.624 -10.560 -14.754 73 3HD1 LEU 15 2HD1 LEU 15 -9.157 -11.311 -13.257 74 1HD2 LEU 15 3HD2 LEU 15 -8.447 -13.196 -16.955 75 2HD2 LEU 15 2HD2 LEU 15 -10.134 -12.736 -16.862 76 3HD2 LEU 15 1HD2 LEU 15 -8.887 -11.517 -16.755 77 H ASN 16 H ASN 16 -6.346 -15.996 -13.495 78 HA ASN 16 HA ASN 16 -7.875 -18.449 -14.102 79 1HB ASN 16 2HB ASN 16 -5.850 -17.208 -15.976 80 2HB ASN 16 1HB ASN 16 -6.071 -18.956 -15.897 81 1HD2 ASN 16 2HD2 ASN 16 -9.207 -16.828 -17.263 82 2HD2 ASN 16 1HD2 ASN 16 -8.159 -16.055 -16.169 83 H GLY 17 H GLY 17 -4.354 -18.201 -14.536 84 1HA GLY 17 2HA GLY 17 -3.821 -20.727 -13.323 85 2HA GLY 17 1HA GLY 17 -2.612 -19.503 -13.652 86 H GLY 18 H GLY 18 -4.251 -17.627 -12.247 87 1HA GLY 18 2HA GLY 18 -3.580 -16.491 -10.249 88 2HA GLY 18 1HA GLY 18 -5.094 -17.313 -9.966 89 H VAL 19 H VAL 19 -1.598 -18.058 -9.581 90 HA VAL 19 HA VAL 19 -2.390 -19.437 -7.103 91 HB VAL 19 HB VAL 19 -0.039 -19.417 -9.069 92 1HG1 VAL 19 3HG1 VAL 19 0.295 -20.028 -6.141 93 2HG1 VAL 19 2HG1 VAL 19 1.338 -20.760 -7.360 94 3HG1 VAL 19 1HG1 VAL 19 1.283 -19.016 -7.184 95 1HG2 VAL 19 3HG2 VAL 19 -1.430 -21.696 -7.609 96 2HG2 VAL 19 2HG2 VAL 19 -1.689 -21.195 -9.274 97 3HG2 VAL 19 1HG2 VAL 19 -0.154 -21.887 -8.803 98 1HN ABA 20 HN ABA 20 -2.898 -17.905 -5.892 99 HA ABA 20 HA ABA 20 -1.877 -15.296 -5.672 100 1HB ABA 20 1HB ABA 20 -3.426 -17.111 -3.801 101 2HB ABA 20 2HB ABA 20 -4.017 -15.974 -4.959 102 1HG ABA 20 1HG ABA 20 -2.215 -14.658 -2.966 103 2HG ABA 20 2HG ABA 20 -3.437 -15.579 -2.148 104 3HG ABA 20 3HG ABA 20 -3.916 -14.316 -3.255 105 H MET 21 H MET 21 0.296 -15.145 -5.510 106 HA MET 21 HA MET 21 1.522 -16.227 -3.014 107 1HB MET 21 2HB MET 21 3.671 -16.343 -4.264 108 2HB MET 21 1HB MET 21 2.462 -17.412 -4.934 109 1HG MET 21 2HG MET 21 2.031 -15.935 -6.780 110 2HG MET 21 1HG MET 21 3.012 -14.667 -6.113 111 1HE MET 21 3HE MET 21 5.692 -15.511 -5.383 112 2HE MET 21 2HE MET 21 5.444 -17.261 -5.328 113 3HE MET 21 1HE MET 21 6.581 -16.574 -6.476 114 H HIS 22 H HIS 22 2.050 -14.702 -1.664 115 HA HIS 22 HA HIS 22 1.888 -11.966 -2.357 116 1HB HIS 22 2HB HIS 22 1.683 -12.875 -0.098 117 2HB HIS 22 1HB HIS 22 3.438 -13.196 -0.109 118 HD1 HIS 22 HD1 HIS 22 3.028 -10.073 -1.745 119 HD2 HIS 22 HD2 HIS 22 2.900 -11.349 2.211 120 HE1 HIS 22 HE1 HIS 22 3.402 -8.140 -0.260 121 H ILE 23 H ILE 23 3.362 -10.874 -3.644 122 HA ILE 23 HA ILE 23 6.042 -11.992 -3.988 123 HB ILE 23 HB ILE 23 4.067 -11.320 -5.795 124 1HG1 ILE 23 2HG1 ILE 23 6.243 -11.034 -7.320 125 2HG1 ILE 23 1HG1 ILE 23 7.022 -11.713 -5.922 126 1HG2 ILE 23 1HG2 ILE 23 4.644 -8.847 -5.055 127 2HG2 ILE 23 3HG2 ILE 23 5.979 -9.015 -6.157 128 3HG2 ILE 23 2HG2 ILE 23 4.321 -9.172 -6.740 129 1HD1 ILE 23 1HD1 ILE 23 4.962 -13.452 -6.094 130 2HD1 ILE 23 3HD1 ILE 23 5.010 -12.957 -7.777 131 3HD1 ILE 23 2HD1 ILE 23 6.421 -13.685 -7.040 132 H GLU 24 H GLU 24 5.081 -10.285 -1.773 133 HA GLU 24 HA GLU 24 5.749 -7.649 -1.757 134 1HB GLU 24 2HB GLU 24 5.668 -9.634 0.330 135 2HB GLU 24 1HB GLU 24 7.287 -9.010 0.448 136 1HG GLU 24 2HG GLU 24 5.066 -6.951 0.271 137 2HG GLU 24 1HG GLU 24 5.283 -7.798 1.782 138 H SER 25 H SER 25 7.836 -10.224 -1.795 139 HA SER 25 HA SER 25 10.377 -9.526 -1.580 140 1HB SER 25 2HB SER 25 9.518 -10.980 -4.109 141 2HB SER 25 1HB SER 25 10.783 -11.478 -2.974 142 HG SER 25 HG SER 25 9.223 -12.558 -1.983 143 H LEU 26 H LEU 26 8.539 -8.885 -4.291 144 HA LEU 26 HA LEU 26 10.483 -6.902 -5.356 145 1HB LEU 26 2HB LEU 26 8.567 -7.368 -7.392 146 2HB LEU 26 1HB LEU 26 10.256 -7.809 -7.423 147 HG LEU 26 HG LEU 26 8.151 -9.419 -6.079 148 1HD1 LEU 26 1HD1 LEU 26 9.027 -9.477 -9.030 149 2HD1 LEU 26 3HD1 LEU 26 8.146 -10.811 -8.314 150 3HD1 LEU 26 2HD1 LEU 26 7.405 -9.225 -8.413 151 1HD2 LEU 26 2HD2 LEU 26 10.715 -9.913 -5.744 152 2HD2 LEU 26 1HD2 LEU 26 9.789 -11.293 -6.326 153 3HD2 LEU 26 3HD2 LEU 26 10.765 -10.351 -7.435 154 H ASP 27 H ASP 27 7.140 -7.570 -4.652 155 HA ASP 27 HA ASP 27 6.693 -4.666 -4.573 156 1HB ASP 27 2HB ASP 27 5.223 -6.510 -6.504 157 2HB ASP 27 1HB ASP 27 4.514 -4.985 -6.003 158 H SER 28 H SER 28 4.204 -7.076 -4.798 159 HA SER 28 HA SER 28 3.533 -6.814 -1.901 160 1HB SER 28 2HB SER 28 1.808 -5.361 -2.034 161 2HB SER 28 1HB SER 28 2.694 -4.746 -3.420 162 HG SER 28 HG SER 28 1.179 -5.480 -4.718 163 H TYR 29 H TYR 29 0.764 -7.479 -2.994 164 HA TYR 29 HA TYR 29 1.358 -10.429 -3.161 165 1HB TYR 29 2HB TYR 29 -0.305 -10.365 -1.491 166 2HB TYR 29 1HB TYR 29 -0.944 -8.838 -2.114 167 HD1 TYR 29 HD2 TYR 29 -0.532 -12.322 -3.525 168 HD2 TYR 29 HD1 TYR 29 -3.200 -9.071 -2.822 169 HE1 TYR 29 HE2 TYR 29 -2.287 -13.475 -4.713 170 HE2 TYR 29 HE1 TYR 29 -4.940 -10.260 -4.000 171 HH TYR 29 HH TYR 29 -4.340 -13.325 -5.648 172 H THR 30 H THR 30 0.953 -11.641 -4.770 173 HA THR 30 HA THR 30 -0.668 -10.568 -6.933 174 HB THR 30 HB THR 30 1.966 -9.991 -6.733 175 HG1 THR 30 HG1 THR 30 1.250 -10.460 -9.338 176 1HG2 THR 30 1HG2 THR 30 2.618 -12.445 -7.044 177 2HG2 THR 30 3HG2 THR 30 1.948 -12.390 -8.666 178 3HG2 THR 30 2HG2 THR 30 3.296 -11.342 -8.232 179 H CYS 31 H CYS 31 -0.426 -12.297 -8.773 180 HA CYS 31 HA CYS 31 -0.682 -14.970 -7.473 181 1HB CYS 31 2HB CYS 31 -2.645 -13.412 -8.887 182 2HB CYS 31 1HB CYS 31 -2.221 -14.745 -9.921 183 H ASN 32 H ASN 32 0.051 -16.705 -8.811 184 HA ASN 32 HA ASN 32 2.026 -15.866 -10.931 185 1HB ASN 32 2HB ASN 32 2.824 -17.251 -8.830 186 2HB ASN 32 1HB ASN 32 1.927 -18.592 -9.520 187 1HD2 ASN 32 2HD2 ASN 32 4.705 -19.301 -11.588 188 2HD2 ASN 32 1HD2 ASN 32 3.533 -19.922 -10.520 189 H CYS 33 H CYS 33 0.871 -15.816 -12.661 190 HA CYS 33 HA CYS 33 -1.222 -17.799 -13.136 191 1HB CYS 33 2HB CYS 33 -0.310 -15.496 -14.947 192 2HB CYS 33 1HB CYS 33 -1.754 -16.414 -15.013 193 H VAL 34 H VAL 34 -1.294 -18.990 -15.008 194 HA VAL 34 HA VAL 34 1.032 -20.447 -15.398 195 HB VAL 34 HB VAL 34 -1.365 -21.189 -15.791 196 1HG1 VAL 34 2HG1 VAL 34 -1.862 -19.096 -17.076 197 2HG1 VAL 34 1HG1 VAL 34 -1.396 -20.004 -18.504 198 3HG1 VAL 34 3HG1 VAL 34 -2.653 -20.618 -17.461 199 1HG2 VAL 34 2HG2 VAL 34 0.593 -22.517 -16.897 200 2HG2 VAL 34 1HG2 VAL 34 -1.030 -22.760 -17.526 201 3HG2 VAL 34 3HG2 VAL 34 0.076 -21.732 -18.392 202 H ILE 35 H ILE 35 2.001 -20.991 -17.239 203 HA ILE 35 HA ILE 35 3.601 -19.034 -18.487 204 HB ILE 35 HB ILE 35 4.343 -21.241 -18.566 205 1HG1 ILE 35 2HG1 ILE 35 4.341 -21.811 -21.073 206 2HG1 ILE 35 1HG1 ILE 35 3.415 -20.375 -21.340 207 1HG2 ILE 35 2HG2 ILE 35 1.641 -21.964 -19.726 208 2HG2 ILE 35 1HG2 ILE 35 3.007 -23.045 -19.853 209 3HG2 ILE 35 3HG2 ILE 35 2.416 -22.601 -18.276 210 1HD1 ILE 35 2HD1 ILE 35 6.135 -20.422 -19.922 211 2HD1 ILE 35 1HD1 ILE 35 5.894 -19.972 -21.602 212 3HD1 ILE 35 3HD1 ILE 35 5.199 -18.989 -20.326 213 H GLY 36 H GLY 36 0.439 -20.030 -19.163 214 1HA GLY 36 2HA GLY 36 0.361 -18.665 -21.769 215 2HA GLY 36 1HA GLY 36 -0.898 -19.700 -21.157 216 H TYR 37 H TYR 37 -0.529 -17.873 -18.643 217 HA TYR 37 HA TYR 37 -2.215 -15.572 -19.465 218 1HB TYR 37 2HB TYR 37 -2.558 -17.083 -16.889 219 2HB TYR 37 1HB TYR 37 -3.704 -16.007 -17.668 220 HD1 TYR 37 HD1 TYR 37 -3.501 -17.544 -20.508 221 HD2 TYR 37 HD2 TYR 37 -4.175 -18.834 -16.545 222 HE1 TYR 37 HE1 TYR 37 -4.735 -19.417 -21.361 223 HE2 TYR 37 HE2 TYR 37 -5.453 -20.743 -17.409 224 HH TYR 37 HH TYR 37 -5.760 -22.032 -19.398 225 H SER 38 H SER 38 -1.175 -13.720 -19.044 226 HA SER 38 HA SER 38 0.612 -13.801 -16.656 227 1HB SER 38 2HB SER 38 2.006 -14.160 -18.674 228 2HB SER 38 1HB SER 38 1.346 -12.706 -19.437 229 HG SER 38 HG SER 38 3.271 -12.908 -17.473 230 H GLY 39 H GLY 39 1.374 -11.022 -17.776 231 1HA GLY 39 2HA GLY 39 0.671 -8.800 -17.536 232 2HA GLY 39 1HA GLY 39 -0.993 -9.363 -17.438 233 H ASP 40 H ASP 40 0.293 -11.228 -15.230 234 HA ASP 40 HA ASP 40 1.087 -10.949 -12.963 235 1HB ASP 40 2HB ASP 40 1.240 -8.385 -13.344 236 2HB ASP 40 1HB ASP 40 -0.446 -8.347 -12.852 237 H ARG 41 H ARG 41 -1.957 -10.942 -14.353 238 HA ARG 41 HA ARG 41 -3.195 -11.899 -11.870 239 1HB ARG 41 2HB ARG 41 -3.623 -9.371 -12.776 240 2HB ARG 41 1HB ARG 41 -4.798 -10.182 -13.767 241 1HG ARG 41 2HG ARG 41 -4.710 -10.787 -10.881 242 2HG ARG 41 1HG ARG 41 -5.352 -9.246 -11.434 243 1HD ARG 41 2HD ARG 41 -6.438 -11.304 -13.061 244 2HD ARG 41 1HD ARG 41 -6.695 -11.693 -11.377 245 HE ARG 41 HE ARG 41 -7.549 -9.114 -12.564 246 1HH1 ARG 41 1HH2 ARG 41 -8.278 -8.157 -10.542 247 2HH1 ARG 41 2HH2 ARG 41 -9.562 -9.024 -9.733 248 1HH2 ARG 41 2HH1 ARG 41 -8.905 -11.940 -11.531 249 2HH2 ARG 41 1HH1 ARG 41 -9.904 -11.212 -10.321 250 H CYS 42 H CYS 42 -2.409 -12.516 -14.961 251 HA CYS 42 HA CYS 42 -2.926 -14.135 -16.396 252 1HB CYS 42 2HB CYS 42 -5.302 -15.336 -15.051 253 2HB CYS 42 1HB CYS 42 -3.836 -16.120 -15.555 254 H GLN 43 H GLN 43 -4.052 -11.630 -16.196 255 HA GLN 43 HA GLN 43 -6.878 -11.799 -16.992 256 1HB GLN 43 2HB GLN 43 -6.709 -9.322 -16.976 257 2HB GLN 43 1HB GLN 43 -6.064 -9.994 -15.480 258 1HG GLN 43 2HG GLN 43 -3.936 -9.833 -17.460 259 2HG GLN 43 1HG GLN 43 -4.772 -8.292 -17.355 260 1HE2 GLN 43 2HE2 GLN 43 -2.101 -9.143 -14.641 261 2HE2 GLN 43 1HE2 GLN 43 -2.278 -10.106 -16.052 262 H THR 44 H THR 44 -3.925 -11.955 -18.316 263 HA THR 44 HA THR 44 -4.912 -11.402 -21.083 264 HB THR 44 HB THR 44 -3.256 -9.811 -19.971 265 HG1 THR 44 HG1 THR 44 -1.919 -10.743 -22.181 266 1HG2 THR 44 1HG2 THR 44 -1.880 -11.626 -18.964 267 2HG2 THR 44 3HG2 THR 44 -1.103 -11.811 -20.527 268 3HG2 THR 44 2HG2 THR 44 -1.022 -10.264 -19.667 269 H ARG 45 H ARG 45 -5.677 -13.465 -21.034 270 HA ARG 45 HA ARG 45 -4.002 -15.730 -20.420 271 1HB ARG 45 2HB ARG 45 -6.475 -16.260 -22.056 272 2HB ARG 45 1HB ARG 45 -6.001 -16.887 -20.497 273 1HG ARG 45 2HG ARG 45 -6.608 -14.635 -19.495 274 2HG ARG 45 1HG ARG 45 -7.387 -14.286 -21.036 275 1HD ARG 45 2HD ARG 45 -8.121 -16.714 -19.325 276 2HD ARG 45 1HD ARG 45 -8.951 -15.168 -19.222 277 HE ARG 45 HE ARG 45 -9.483 -15.493 -21.704 278 1HH1 ARG 45 2HH1 ARG 45 -7.745 -18.054 -21.069 279 2HH1 ARG 45 1HH1 ARG 45 -8.928 -19.298 -21.322 280 1HH2 ARG 45 1HH2 ARG 45 -11.488 -16.860 -21.349 281 2HH2 ARG 45 2HH2 ARG 45 -11.236 -18.565 -21.495 282 H ASP 46 H ASP 46 -2.313 -15.389 -21.684 283 HA ASP 46 HA ASP 46 -2.374 -14.727 -24.490 284 1HB ASP 46 2HB ASP 46 -0.309 -14.604 -22.966 285 2HB ASP 46 1HB ASP 46 -0.199 -16.353 -23.047 286 H LEU 47 H LEU 47 -2.960 -17.510 -22.759 287 HA LEU 47 HA LEU 47 -3.862 -19.570 -23.272 288 1HB LEU 47 2HB LEU 47 -4.392 -17.990 -25.675 289 2HB LEU 47 1HB LEU 47 -3.929 -19.582 -26.193 290 HG LEU 47 HG LEU 47 -6.335 -19.500 -25.939 291 1HD1 LEU 47 1HD1 LEU 47 -4.873 -21.521 -24.965 292 2HD1 LEU 47 3HD1 LEU 47 -5.622 -21.045 -23.449 293 3HD1 LEU 47 2HD1 LEU 47 -6.620 -21.507 -24.811 294 1HD2 LEU 47 2HD2 LEU 47 -6.174 -17.570 -24.157 295 2HD2 LEU 47 1HD2 LEU 47 -7.516 -18.692 -24.077 296 3HD2 LEU 47 3HD2 LEU 47 -6.166 -18.862 -22.974 297 H ARG 48 HN ARG 48 -0.965 -19.004 -23.289 298 HA ARG 48 HA ARG 48 -0.011 -21.178 -25.051 299 1HB ARG 48 2HB ARG 48 1.090 -18.604 -24.229 300 2HB ARG 48 1HB ARG 48 2.223 -19.843 -23.749 301 1HG ARG 48 2HG ARG 48 2.363 -20.726 -25.975 302 2HG ARG 48 1HG ARG 48 1.022 -19.748 -26.541 303 1HD ARG 48 2HD ARG 48 2.260 -17.767 -26.600 304 2HD ARG 48 1HD ARG 48 3.388 -18.273 -25.357 305 HE ARG 48 HE ARG 48 4.460 -18.302 -27.624 306 1HH1 ARG 48 1HH2 ARG 48 5.047 -20.812 -26.417 307 2HH1 ARG 48 2HH2 ARG 48 4.629 -21.991 -27.614 308 1HH2 ARG 48 1HH1 ARG 48 2.634 -19.598 -29.303 309 2HH2 ARG 48 2HH1 ARG 48 3.163 -21.241 -29.402 No H/Q in entry = 309 Start of MODEL 10 1 1H PRO 4 1H PRO 4 1.069 0.805 -1.641 2 2H PRO 4 2H PRO 4 0.942 1.931 -2.909 3 HA PRO 4 HA PRO 4 2.135 0.618 -4.215 4 1HB PRO 4 2HB PRO 4 4.575 0.068 -2.985 5 2HB PRO 4 1HB PRO 4 4.219 1.584 -3.822 6 1HG PRO 4 2HG PRO 4 4.054 0.973 -0.860 7 2HG PRO 4 1HG PRO 4 4.672 2.421 -1.653 8 1HD PRO 4 2HD PRO 4 2.187 2.389 -0.572 9 2HD PRO 4 1HD PRO 4 2.501 3.268 -2.073 10 H GLY 5 H GLY 5 0.639 -1.124 -3.957 11 1HA GLY 5 2HA GLY 5 1.357 -3.647 -3.825 12 2HA GLY 5 1HA GLY 5 1.456 -3.288 -2.097 13 1HN ABA 6 HN ABA 6 -0.199 -5.229 -3.283 14 HA ABA 6 HA ABA 6 -2.866 -4.102 -2.543 15 1HB ABA 6 1HB ABA 6 -2.987 -6.351 -4.429 16 2HB ABA 6 2HB ABA 6 -2.069 -5.030 -5.084 17 1HG ABA 6 1HG ABA 6 -4.854 -4.680 -3.871 18 2HG ABA 6 2HG ABA 6 -4.567 -4.892 -5.585 19 3HG ABA 6 3HG ABA 6 -3.949 -3.470 -4.763 20 HA PRO 7 HA PRO 7 -2.467 -8.389 -0.571 21 1HB PRO 7 2HB PRO 7 -1.157 -8.217 1.714 22 2HB PRO 7 1HB PRO 7 -0.236 -8.281 0.217 23 1HG PRO 7 2HG PRO 7 -0.863 -5.844 1.909 24 2HG PRO 7 1HG PRO 7 0.612 -6.202 1.024 25 1HD PRO 7 2HD PRO 7 -1.505 -4.536 0.075 26 2HD PRO 7 1HD PRO 7 -0.252 -5.256 -0.952 27 H SER 8 H SER 8 -4.003 -5.851 -0.236 28 HA SER 8 HA SER 8 -5.333 -6.271 2.388 29 1HB SER 8 2HB SER 8 -4.986 -3.952 0.532 30 2HB SER 8 1HB SER 8 -6.639 -4.119 1.124 31 HG SER 8 HG SER 8 -5.919 -3.450 3.002 32 H SER 9 H SER 9 -5.752 -6.887 -1.006 33 HA SER 9 HA SER 9 -8.273 -8.239 -0.365 34 1HB SER 9 2HB SER 9 -8.761 -5.752 -1.146 35 2HB SER 9 1HB SER 9 -8.264 -6.315 -2.746 36 HG SER 9 HG SER 9 -10.191 -7.133 -2.853 37 H TYR 10 H TYR 10 -8.081 -10.225 -1.282 38 HA TYR 10 HA TYR 10 -6.569 -10.426 -3.765 39 1HB TYR 10 2HB TYR 10 -6.113 -12.848 -2.817 40 2HB TYR 10 1HB TYR 10 -5.170 -11.529 -2.154 41 HD1 TYR 10 HD1 TYR 10 -8.209 -13.538 -1.582 42 HD2 TYR 10 HD2 TYR 10 -5.254 -11.052 0.215 43 HE1 TYR 10 HE1 TYR 10 -9.070 -14.122 0.642 44 HE2 TYR 10 HE2 TYR 10 -6.119 -11.643 2.430 45 HH TYR 10 HH TYR 10 -7.466 -13.766 3.384 46 H ASP 11 H ASP 11 -9.317 -9.927 -3.281 47 HA ASP 11 HA ASP 11 -10.641 -12.357 -4.165 48 1HB ASP 11 2HB ASP 11 -11.742 -9.675 -3.189 49 2HB ASP 11 1HB ASP 11 -12.731 -11.072 -3.580 50 H GLY 12 H GLY 12 -11.381 -12.446 -6.293 51 1HA GLY 12 2HA GLY 12 -11.580 -11.793 -8.568 52 2HA GLY 12 1HA GLY 12 -11.939 -10.170 -7.951 53 H TYR 13 H TYR 13 -9.113 -11.756 -6.982 54 HA TYR 13 HA TYR 13 -7.421 -9.788 -8.364 55 1HB TYR 13 2HB TYR 13 -7.332 -10.398 -5.840 56 2HB TYR 13 1HB TYR 13 -6.552 -11.903 -6.330 57 HD1 TYR 13 HD2 TYR 13 -4.402 -11.719 -7.749 58 HD2 TYR 13 HD1 TYR 13 -6.119 -8.342 -5.761 59 HE1 TYR 13 HE2 TYR 13 -2.305 -10.514 -7.971 60 HE2 TYR 13 HE1 TYR 13 -3.997 -7.152 -6.013 61 HH TYR 13 HH TYR 13 -1.537 -8.196 -8.079 62 H CYS 14 H CYS 14 -8.111 -13.154 -8.530 63 HA CYS 14 HA CYS 14 -6.030 -13.439 -10.648 64 1HB CYS 14 2HB CYS 14 -6.928 -15.561 -8.639 65 2HB CYS 14 1HB CYS 14 -5.658 -15.672 -9.748 66 H LEU 15 H LEU 15 -6.636 -14.664 -12.397 67 HA LEU 15 HA LEU 15 -9.565 -14.995 -12.821 68 1HB LEU 15 2HB LEU 15 -7.623 -13.530 -14.208 69 2HB LEU 15 1HB LEU 15 -7.873 -14.891 -15.228 70 HG LEU 15 HG LEU 15 -10.451 -13.683 -14.486 71 1HD1 LEU 15 2HD1 LEU 15 -8.160 -11.882 -15.408 72 2HD1 LEU 15 1HD1 LEU 15 -9.791 -11.501 -15.905 73 3HD1 LEU 15 3HD1 LEU 15 -9.379 -11.545 -14.211 74 1HD2 LEU 15 1HD2 LEU 15 -8.833 -14.093 -17.058 75 2HD2 LEU 15 3HD2 LEU 15 -10.248 -14.994 -16.520 76 3HD2 LEU 15 2HD2 LEU 15 -10.410 -13.340 -17.068 77 H ASN 16 H ASN 16 -6.590 -16.616 -13.436 78 HA ASN 16 HA ASN 16 -8.035 -19.151 -13.779 79 1HB ASN 16 2HB ASN 16 -6.203 -18.159 -15.994 80 2HB ASN 16 1HB ASN 16 -6.988 -19.731 -15.945 81 1HD2 ASN 16 2HD2 ASN 16 -9.086 -16.495 -17.068 82 2HD2 ASN 16 1HD2 ASN 16 -7.510 -16.274 -16.478 83 H GLY 17 H GLY 17 -4.589 -18.133 -14.308 84 1HA GLY 17 2HA GLY 17 -3.689 -20.622 -12.982 85 2HA GLY 17 1HA GLY 17 -2.773 -19.641 -14.098 86 H GLY 18 H GLY 18 -4.688 -17.909 -12.027 87 1HA GLY 18 2HA GLY 18 -2.488 -16.482 -10.871 88 2HA GLY 18 1HA GLY 18 -4.129 -16.210 -10.529 89 H VAL 19 H VAL 19 -1.322 -17.752 -9.776 90 HA VAL 19 HA VAL 19 -2.314 -19.123 -7.376 91 HB VAL 19 HB VAL 19 0.168 -19.097 -9.146 92 1HG1 VAL 19 2HG1 VAL 19 0.356 -19.688 -6.191 93 2HG1 VAL 19 1HG1 VAL 19 1.471 -20.398 -7.357 94 3HG1 VAL 19 3HG1 VAL 19 1.379 -18.661 -7.183 95 1HG2 VAL 19 2HG2 VAL 19 -1.505 -20.847 -9.395 96 2HG2 VAL 19 1HG2 VAL 19 0.030 -21.544 -8.905 97 3HG2 VAL 19 3HG2 VAL 19 -1.265 -21.360 -7.725 98 1HN ABA 20 HN ABA 20 -2.795 -17.738 -5.972 99 HA ABA 20 HA ABA 20 -1.773 -15.149 -5.608 100 1HB ABA 20 1HB ABA 20 -3.278 -17.081 -3.816 101 2HB ABA 20 2HB ABA 20 -3.921 -15.889 -4.909 102 1HG ABA 20 1HG ABA 20 -3.423 -15.569 -2.110 103 2HG ABA 20 2HG ABA 20 -3.747 -14.247 -3.209 104 3HG ABA 20 3HG ABA 20 -2.096 -14.707 -2.823 105 H MET 21 H MET 21 0.393 -15.141 -5.553 106 HA MET 21 HA MET 21 1.702 -16.350 -3.155 107 1HB MET 21 2HB MET 21 3.757 -16.577 -4.470 108 2HB MET 21 1HB MET 21 2.446 -17.330 -5.334 109 1HG MET 21 2HG MET 21 2.321 -15.534 -6.915 110 2HG MET 21 1HG MET 21 3.402 -14.535 -5.966 111 1HE MET 21 1HE MET 21 4.023 -14.083 -8.348 112 2HE MET 21 3HE MET 21 5.700 -14.542 -8.643 113 3HE MET 21 2HE MET 21 4.416 -15.352 -9.503 114 H HIS 22 H HIS 22 2.562 -15.025 -1.781 115 HA HIS 22 HA HIS 22 2.277 -12.200 -2.150 116 1HB HIS 22 2HB HIS 22 2.121 -13.444 0.030 117 2HB HIS 22 1HB HIS 22 3.891 -13.565 -0.021 118 HD1 HIS 22 HD1 HIS 22 3.407 -10.372 -1.371 119 HD2 HIS 22 HD2 HIS 22 2.922 -11.982 2.437 120 HE1 HIS 22 HE1 HIS 22 3.502 -8.565 0.272 121 H ILE 23 H ILE 23 3.684 -10.949 -3.306 122 HA ILE 23 HA ILE 23 6.395 -11.936 -3.688 123 HB ILE 23 HB ILE 23 4.426 -11.176 -5.462 124 1HG1 ILE 23 2HG1 ILE 23 6.659 -10.671 -6.892 125 2HG1 ILE 23 1HG1 ILE 23 7.338 -11.587 -5.574 126 1HG2 ILE 23 1HG2 ILE 23 4.847 -8.777 -4.556 127 2HG2 ILE 23 3HG2 ILE 23 6.255 -8.797 -5.585 128 3HG2 ILE 23 2HG2 ILE 23 4.648 -8.994 -6.281 129 1HD1 ILE 23 3HD1 ILE 23 5.120 -13.132 -6.227 130 2HD1 ILE 23 2HD1 ILE 23 5.562 -12.465 -7.789 131 3HD1 ILE 23 1HD1 ILE 23 6.718 -13.403 -6.876 132 H GLU 24 H GLU 24 5.367 -10.430 -1.350 133 HA GLU 24 HA GLU 24 6.011 -7.740 -1.195 134 1HB GLU 24 2HB GLU 24 5.812 -9.817 0.791 135 2HB GLU 24 1HB GLU 24 7.386 -9.114 1.055 136 1HG GLU 24 2HG GLU 24 4.984 -7.251 0.744 137 2HG GLU 24 1HG GLU 24 5.336 -7.998 2.289 138 H SER 25 H SER 25 8.031 -10.363 -1.361 139 HA SER 25 HA SER 25 10.573 -9.726 -0.955 140 1HB SER 25 2HB SER 25 9.708 -10.961 -3.604 141 2HB SER 25 1HB SER 25 11.034 -11.526 -2.571 142 HG SER 25 HG SER 25 9.555 -12.662 -1.520 143 H LEU 26 H LEU 26 8.812 -8.777 -3.611 144 HA LEU 26 HA LEU 26 10.818 -6.759 -4.462 145 1HB LEU 26 2HB LEU 26 8.980 -7.078 -6.593 146 2HB LEU 26 1HB LEU 26 10.669 -7.519 -6.602 147 HG LEU 26 HG LEU 26 8.538 -9.233 -5.427 148 1HD1 LEU 26 3HD1 LEU 26 9.370 -8.927 -8.354 149 2HD1 LEU 26 2HD1 LEU 26 8.609 -10.400 -7.798 150 3HD1 LEU 26 1HD1 LEU 26 7.747 -8.875 -7.694 151 1HD2 LEU 26 1HD2 LEU 26 11.071 -9.782 -5.113 152 2HD2 LEU 26 3HD2 LEU 26 10.181 -11.080 -5.894 153 3HD2 LEU 26 2HD2 LEU 26 11.172 -9.995 -6.846 154 H ASP 27 H ASP 27 7.487 -7.491 -4.009 155 HA ASP 27 HA ASP 27 6.930 -4.616 -3.745 156 1HB ASP 27 2HB ASP 27 5.594 -6.405 -5.802 157 2HB ASP 27 1HB ASP 27 4.821 -4.928 -5.258 158 H SER 28 H SER 28 4.494 -7.049 -4.210 159 HA SER 28 HA SER 28 3.729 -6.952 -1.321 160 1HB SER 28 2HB SER 28 1.763 -5.744 -1.556 161 2HB SER 28 1HB SER 28 2.841 -4.891 -2.643 162 HG SER 28 HG SER 28 1.805 -6.721 -4.208 163 H TYR 29 H TYR 29 1.041 -7.648 -2.517 164 HA TYR 29 HA TYR 29 1.650 -10.591 -2.753 165 1HB TYR 29 2HB TYR 29 -0.122 -10.548 -1.178 166 2HB TYR 29 1HB TYR 29 -0.696 -8.969 -1.728 167 HD1 TYR 29 HD1 TYR 29 -0.293 -12.415 -3.135 168 HD2 TYR 29 HD2 TYR 29 -2.811 -8.986 -2.771 169 HE1 TYR 29 HE1 TYR 29 -1.989 -13.475 -4.512 170 HE2 TYR 29 HE2 TYR 29 -4.492 -10.083 -4.124 171 HH TYR 29 HH TYR 29 -4.804 -11.854 -5.585 172 H THR 30 H THR 30 1.072 -11.742 -4.515 173 HA THR 30 HA THR 30 -0.247 -10.328 -6.714 174 HB THR 30 HB THR 30 2.396 -9.976 -6.312 175 HG1 THR 30 HG1 THR 30 1.814 -10.339 -8.989 176 1HG2 THR 30 2HG2 THR 30 2.915 -12.413 -6.677 177 2HG2 THR 30 1HG2 THR 30 2.376 -12.268 -8.344 178 3HG2 THR 30 3HG2 THR 30 3.750 -11.321 -7.770 179 H CYS 31 H CYS 31 -0.263 -11.933 -8.731 180 HA CYS 31 HA CYS 31 -0.671 -14.707 -7.685 181 1HB CYS 31 2HB CYS 31 -2.606 -12.990 -9.005 182 2HB CYS 31 1HB CYS 31 -2.218 -14.271 -10.112 183 H ASN 32 H ASN 32 0.352 -16.293 -8.822 184 HA ASN 32 HA ASN 32 2.256 -15.430 -10.941 185 1HB ASN 32 2HB ASN 32 3.076 -16.861 -9.048 186 2HB ASN 32 1HB ASN 32 2.038 -18.148 -9.608 187 1HD2 ASN 32 2HD2 ASN 32 4.425 -19.170 -11.978 188 2HD2 ASN 32 1HD2 ASN 32 3.159 -19.609 -10.928 189 H CYS 33 H CYS 33 0.401 -15.162 -12.522 190 HA CYS 33 HA CYS 33 -1.144 -17.351 -13.367 191 1HB CYS 33 2HB CYS 33 -0.266 -15.033 -15.165 192 2HB CYS 33 1HB CYS 33 -1.585 -16.104 -15.308 193 H VAL 34 H VAL 34 -0.962 -18.725 -14.948 194 HA VAL 34 HA VAL 34 1.468 -20.013 -15.383 195 HB VAL 34 HB VAL 34 -0.854 -20.960 -15.490 196 1HG1 VAL 34 3HG1 VAL 34 -1.593 -19.033 -17.073 197 2HG1 VAL 34 2HG1 VAL 34 -1.193 -20.174 -18.340 198 3HG1 VAL 34 1HG1 VAL 34 -2.343 -20.623 -17.113 199 1HG2 VAL 34 1HG2 VAL 34 1.070 -22.243 -16.562 200 2HG2 VAL 34 3HG2 VAL 34 -0.557 -22.621 -17.115 201 3HG2 VAL 34 2HG2 VAL 34 0.474 -21.627 -18.109 202 H ILE 35 H ILE 35 2.353 -20.658 -17.242 203 HA ILE 35 HA ILE 35 3.669 -18.670 -18.750 204 HB ILE 35 HB ILE 35 4.616 -20.837 -18.676 205 1HG1 ILE 35 2HG1 ILE 35 3.537 -21.053 -21.488 206 2HG1 ILE 35 1HG1 ILE 35 4.464 -19.634 -21.067 207 1HG2 ILE 35 1HG2 ILE 35 1.942 -21.894 -19.663 208 2HG2 ILE 35 3HG2 ILE 35 3.394 -22.873 -19.682 209 3HG2 ILE 35 2HG2 ILE 35 2.779 -22.288 -18.160 210 1HD1 ILE 35 3HD1 ILE 35 6.267 -21.255 -20.130 211 2HD1 ILE 35 2HD1 ILE 35 5.400 -22.530 -20.974 212 3HD1 ILE 35 1HD1 ILE 35 6.091 -21.189 -21.872 213 H GLY 36 H GLY 36 0.602 -19.945 -19.075 214 1HA GLY 36 2HA GLY 36 0.162 -18.887 -21.783 215 2HA GLY 36 1HA GLY 36 -0.944 -19.937 -20.940 216 H TYR 37 H TYR 37 -0.571 -17.952 -18.578 217 HA TYR 37 HA TYR 37 -2.407 -15.789 -19.512 218 1HB TYR 37 2HB TYR 37 -2.534 -17.002 -16.748 219 2HB TYR 37 1HB TYR 37 -3.764 -16.088 -17.603 220 HD1 TYR 37 HD1 TYR 37 -3.531 -17.921 -20.215 221 HD2 TYR 37 HD2 TYR 37 -4.050 -18.781 -16.107 222 HE1 TYR 37 HE1 TYR 37 -4.633 -19.963 -20.809 223 HE2 TYR 37 HE2 TYR 37 -5.191 -20.860 -16.707 224 HH TYR 37 HH TYR 37 -5.273 -22.424 -18.662 225 H SER 38 H SER 38 -1.741 -13.832 -19.133 226 HA SER 38 HA SER 38 0.463 -13.521 -17.113 227 1HB SER 38 2HB SER 38 0.650 -11.639 -19.435 228 2HB SER 38 1HB SER 38 1.874 -12.726 -18.775 229 HG SER 38 HG SER 38 0.426 -14.428 -19.729 230 H GLY 39 H GLY 39 0.874 -10.789 -17.429 231 1HA GLY 39 2HA GLY 39 -0.037 -8.657 -16.970 232 2HA GLY 39 1HA GLY 39 -1.629 -9.364 -16.772 233 H ASP 40 H ASP 40 -1.147 -11.265 -15.035 234 HA ASP 40 HA ASP 40 -0.073 -11.649 -12.752 235 1HB ASP 40 2HB ASP 40 0.635 -9.196 -12.453 236 2HB ASP 40 1HB ASP 40 -1.066 -8.799 -12.255 237 H ARG 41 H ARG 41 -2.829 -10.985 -14.282 238 HA ARG 41 HA ARG 41 -4.560 -11.743 -11.970 239 1HB ARG 41 2HB ARG 41 -4.781 -9.474 -13.628 240 2HB ARG 41 1HB ARG 41 -5.930 -10.574 -14.354 241 1HG ARG 41 2HG ARG 41 -5.873 -10.019 -11.393 242 2HG ARG 41 1HG ARG 41 -6.793 -9.018 -12.486 243 1HD ARG 41 2HD ARG 41 -7.406 -11.695 -13.124 244 2HD ARG 41 1HD ARG 41 -7.423 -11.533 -11.380 245 HE ARG 41 HE ARG 41 -8.832 -9.426 -12.866 246 1HH1 ARG 41 1HH2 ARG 41 -9.045 -12.390 -11.132 247 2HH1 ARG 41 2HH2 ARG 41 -10.707 -12.204 -10.739 248 1HH2 ARG 41 2HH1 ARG 41 -10.866 -9.131 -12.428 249 2HH2 ARG 41 1HH1 ARG 41 -11.806 -10.251 -11.503 250 H CYS 42 H CYS 42 -3.534 -12.267 -15.175 251 HA CYS 42 HA CYS 42 -3.523 -14.112 -16.470 252 1HB CYS 42 2HB CYS 42 -5.722 -15.404 -14.876 253 2HB CYS 42 1HB CYS 42 -4.429 -16.193 -15.729 254 H GLN 43 H GLN 43 -4.896 -11.925 -16.626 255 HA GLN 43 HA GLN 43 -7.644 -12.306 -17.654 256 1HB GLN 43 2HB GLN 43 -7.328 -9.717 -18.100 257 2HB GLN 43 1HB GLN 43 -7.452 -10.210 -16.435 258 1HG GLN 43 2HG GLN 43 -5.465 -8.759 -16.394 259 2HG GLN 43 1HG GLN 43 -4.735 -10.274 -16.540 260 1HE2 GLN 43 2HE2 GLN 43 -3.130 -9.084 -19.248 261 2HE2 GLN 43 1HE2 GLN 43 -3.135 -9.950 -17.782 262 H THR 44 H THR 44 -4.453 -12.123 -18.655 263 HA THR 44 HA THR 44 -5.225 -11.946 -21.550 264 HB THR 44 HB THR 44 -3.543 -10.276 -21.225 265 HG1 THR 44 HG1 THR 44 -2.139 -12.674 -21.832 266 1HG2 THR 44 2HG2 THR 44 -2.840 -11.496 -18.898 267 2HG2 THR 44 1HG2 THR 44 -1.550 -12.061 -19.928 268 3HG2 THR 44 3HG2 THR 44 -1.799 -10.340 -19.702 269 H ARG 45 H ARG 45 -5.982 -14.078 -21.341 270 HA ARG 45 HA ARG 45 -4.149 -16.152 -20.496 271 1HB ARG 45 2HB ARG 45 -6.509 -16.859 -22.223 272 2HB ARG 45 1HB ARG 45 -5.975 -17.513 -20.702 273 1HG ARG 45 2HG ARG 45 -6.790 -15.138 -19.755 274 2HG ARG 45 1HG ARG 45 -7.788 -15.247 -21.189 275 1HD ARG 45 2HD ARG 45 -7.652 -17.060 -18.766 276 2HD ARG 45 1HD ARG 45 -9.102 -16.322 -19.449 277 HE ARG 45 HE ARG 45 -8.804 -17.954 -21.368 278 1HH1 ARG 45 1HH2 ARG 45 -6.745 -19.450 -21.452 279 2HH1 ARG 45 2HH2 ARG 45 -6.850 -20.756 -20.307 280 1HH2 ARG 45 2HH1 ARG 45 -9.363 -19.100 -18.471 281 2HH2 ARG 45 1HH1 ARG 45 -8.402 -20.529 -18.569 282 H ASP 46 H ASP 46 -2.496 -15.647 -21.671 283 HA ASP 46 HA ASP 46 -2.403 -14.901 -24.391 284 1HB ASP 46 2HB ASP 46 -0.497 -14.832 -22.601 285 2HB ASP 46 1HB ASP 46 -0.184 -16.504 -23.023 286 H LEU 47 H LEU 47 -2.830 -17.760 -22.753 287 HA LEU 47 HA LEU 47 -3.382 -19.923 -23.167 288 1HB LEU 47 2HB LEU 47 -4.101 -18.538 -25.763 289 2HB LEU 47 1HB LEU 47 -4.174 -20.283 -25.743 290 HG LEU 47 HG LEU 47 -5.417 -18.909 -23.364 291 1HD1 LEU 47 3HD1 LEU 47 -6.512 -18.573 -26.160 292 2HD1 LEU 47 2HD1 LEU 47 -7.584 -18.607 -24.774 293 3HD1 LEU 47 1HD1 LEU 47 -6.339 -17.378 -24.888 294 1HD2 LEU 47 1HD2 LEU 47 -5.478 -21.405 -23.716 295 2HD2 LEU 47 3HD2 LEU 47 -7.094 -20.723 -23.666 296 3HD2 LEU 47 2HD2 LEU 47 -6.371 -21.155 -25.203 297 H ARG 48 HN ARG 48 -0.657 -18.777 -24.179 298 HA ARG 48 HA ARG 48 0.276 -21.386 -25.207 299 1HB ARG 48 2HB ARG 48 1.958 -19.993 -26.637 300 2HB ARG 48 1HB ARG 48 0.290 -19.993 -27.134 301 1HG ARG 48 2HG ARG 48 0.557 -17.748 -27.271 302 2HG ARG 48 1HG ARG 48 0.188 -17.765 -25.575 303 1HD ARG 48 2HD ARG 48 2.410 -17.362 -24.940 304 2HD ARG 48 1HD ARG 48 3.076 -18.147 -26.365 305 HE ARG 48 HE ARG 48 1.730 -15.472 -26.485 306 1HH1 ARG 48 1HH2 ARG 48 2.074 -15.869 -29.054 307 2HH1 ARG 48 2HH2 ARG 48 3.738 -15.687 -29.470 308 1HH2 ARG 48 1HH1 ARG 48 4.648 -16.076 -26.060 309 2HH2 ARG 48 2HH1 ARG 48 5.338 -15.814 -27.625 No H/Q in entry = 309 Start of MODEL 11 1 1H PRO 4 1H PRO 4 -0.185 0.428 -2.772 2 2H PRO 4 2H PRO 4 0.059 1.775 -3.783 3 HA PRO 4 HA PRO 4 1.804 0.759 -4.686 4 1HB PRO 4 2HB PRO 4 3.695 0.266 -2.730 5 2HB PRO 4 1HB PRO 4 3.363 1.888 -3.338 6 1HG PRO 4 2HG PRO 4 2.227 0.532 -0.874 7 2HG PRO 4 1HG PRO 4 2.887 2.163 -1.011 8 1HD PRO 4 2HD PRO 4 0.218 1.782 -1.085 9 2HD PRO 4 1HD PRO 4 0.965 2.984 -2.144 10 H GLY 5 H GLY 5 -0.249 -1.002 -4.317 11 1HA GLY 5 2HA GLY 5 0.473 -3.474 -4.866 12 2HA GLY 5 1HA GLY 5 0.959 -3.452 -3.168 13 1HN ABA 6 HN ABA 6 -0.682 -5.381 -3.529 14 HA ABA 6 HA ABA 6 -3.254 -4.317 -2.514 15 1HB ABA 6 1HB ABA 6 -3.758 -6.670 -4.123 16 2HB ABA 6 2HB ABA 6 -2.765 -5.601 -5.063 17 1HG ABA 6 1HG ABA 6 -4.851 -4.677 -5.594 18 2HG ABA 6 2HG ABA 6 -4.543 -3.730 -4.157 19 3HG ABA 6 3HG ABA 6 -5.572 -5.152 -4.066 20 HA PRO 7 HA PRO 7 -2.387 -8.435 -0.382 21 1HB PRO 7 2HB PRO 7 -0.776 -7.968 1.748 22 2HB PRO 7 1HB PRO 7 -0.136 -8.316 0.149 23 1HG PRO 7 2HG PRO 7 -0.343 -5.644 1.537 24 2HG PRO 7 1HG PRO 7 0.896 -6.199 0.429 25 1HD PRO 7 2HD PRO 7 -1.321 -4.538 -0.290 26 2HD PRO 7 1HD PRO 7 -0.318 -5.425 -1.443 27 H SER 8 H SER 8 -3.956 -5.918 0.022 28 HA SER 8 HA SER 8 -4.965 -6.296 2.797 29 1HB SER 8 2HB SER 8 -4.348 -3.931 1.798 30 2HB SER 8 1HB SER 8 -5.840 -4.084 0.866 31 HG SER 8 HG SER 8 -6.646 -4.768 3.168 32 H SER 9 H SER 9 -5.736 -6.984 -0.525 33 HA SER 9 HA SER 9 -8.172 -8.327 0.318 34 1HB SER 9 2HB SER 9 -8.141 -5.923 -1.578 35 2HB SER 9 1HB SER 9 -9.444 -7.102 -1.565 36 HG SER 9 HG SER 9 -8.831 -6.381 0.981 37 H TYR 10 H TYR 10 -8.260 -10.222 -0.851 38 HA TYR 10 HA TYR 10 -6.874 -10.277 -3.411 39 1HB TYR 10 2HB TYR 10 -6.452 -12.810 -2.625 40 2HB TYR 10 1HB TYR 10 -5.384 -11.546 -2.055 41 HD1 TYR 10 HD1 TYR 10 -8.148 -13.737 -1.148 42 HD2 TYR 10 HD2 TYR 10 -5.415 -10.797 0.269 43 HE1 TYR 10 HE1 TYR 10 -8.738 -14.306 1.169 44 HE2 TYR 10 HE2 TYR 10 -6.005 -11.365 2.580 45 HH TYR 10 HH TYR 10 -6.994 -13.120 3.872 46 H ASP 11 H ASP 11 -9.829 -10.288 -2.346 47 HA ASP 11 HA ASP 11 -10.906 -12.683 -3.475 48 1HB ASP 11 2HB ASP 11 -12.116 -11.042 -1.824 49 2HB ASP 11 1HB ASP 11 -12.429 -10.034 -3.229 50 H GLY 12 H GLY 12 -11.697 -12.978 -5.552 51 1HA GLY 12 2HA GLY 12 -11.437 -12.817 -7.925 52 2HA GLY 12 1HA GLY 12 -12.271 -11.291 -7.667 53 H TYR 13 H TYR 13 -9.119 -12.215 -6.561 54 HA TYR 13 HA TYR 13 -7.902 -9.890 -7.904 55 1HB TYR 13 2HB TYR 13 -7.582 -10.512 -5.458 56 2HB TYR 13 1HB TYR 13 -6.659 -11.927 -5.995 57 HD1 TYR 13 HD2 TYR 13 -4.526 -11.618 -7.190 58 HD2 TYR 13 HD1 TYR 13 -6.676 -8.279 -5.657 59 HE1 TYR 13 HE2 TYR 13 -2.553 -10.236 -7.445 60 HE2 TYR 13 HE1 TYR 13 -4.694 -6.899 -5.912 61 HH TYR 13 HH TYR 13 -1.645 -8.104 -6.284 62 H CYS 14 H CYS 14 -8.156 -13.194 -8.475 63 HA CYS 14 HA CYS 14 -5.894 -13.104 -10.437 64 1HB CYS 14 2HB CYS 14 -7.039 -15.518 -9.042 65 2HB CYS 14 1HB CYS 14 -5.658 -15.422 -10.093 66 H LEU 15 H LEU 15 -6.412 -14.218 -12.465 67 HA LEU 15 HA LEU 15 -9.352 -14.271 -13.029 68 1HB LEU 15 2HB LEU 15 -7.092 -13.044 -14.407 69 2HB LEU 15 1HB LEU 15 -7.825 -14.201 -15.456 70 HG LEU 15 HG LEU 15 -10.073 -12.819 -14.584 71 1HD1 LEU 15 1HD1 LEU 15 -7.698 -10.889 -14.741 72 2HD1 LEU 15 3HD1 LEU 15 -9.367 -10.368 -14.762 73 3HD1 LEU 15 2HD1 LEU 15 -8.718 -11.166 -13.362 74 1HD2 LEU 15 3HD2 LEU 15 -8.396 -12.943 -17.029 75 2HD2 LEU 15 2HD2 LEU 15 -10.133 -12.805 -16.895 76 3HD2 LEU 15 1HD2 LEU 15 -9.134 -11.370 -16.844 77 H ASN 16 H ASN 16 -6.451 -16.008 -13.624 78 HA ASN 16 HA ASN 16 -8.008 -18.428 -14.276 79 1HB ASN 16 2HB ASN 16 -5.915 -17.252 -16.124 80 2HB ASN 16 1HB ASN 16 -6.333 -18.967 -16.130 81 1HD2 ASN 16 2HD2 ASN 16 -9.110 -16.366 -17.412 82 2HD2 ASN 16 1HD2 ASN 16 -7.846 -15.754 -16.445 83 H GLY 17 H GLY 17 -4.468 -18.109 -14.618 84 1HA GLY 17 2HA GLY 17 -4.019 -20.741 -13.487 85 2HA GLY 17 1HA GLY 17 -2.771 -19.567 -13.854 86 H GLY 18 H GLY 18 -4.491 -17.676 -12.376 87 1HA GLY 18 2HA GLY 18 -3.738 -16.541 -10.423 88 2HA GLY 18 1HA GLY 18 -5.227 -17.384 -10.080 89 H VAL 19 H VAL 19 -1.683 -18.171 -9.825 90 HA VAL 19 HA VAL 19 -2.456 -19.584 -7.369 91 HB VAL 19 HB VAL 19 -0.054 -19.513 -9.263 92 1HG1 VAL 19 1HG1 VAL 19 0.249 -19.957 -6.304 93 2HG1 VAL 19 3HG1 VAL 19 1.335 -20.729 -7.464 94 3HG1 VAL 19 2HG1 VAL 19 1.224 -18.984 -7.380 95 1HG2 VAL 19 1HG2 VAL 19 -1.697 -21.328 -9.343 96 2HG2 VAL 19 3HG2 VAL 19 -0.101 -21.937 -8.932 97 3HG2 VAL 19 2HG2 VAL 19 -1.319 -21.758 -7.676 98 1HN ABA 20 HN ABA 20 -3.034 -18.133 -6.137 99 HA ABA 20 HA ABA 20 -1.963 -15.529 -5.812 100 1HB ABA 20 1HB ABA 20 -3.418 -17.331 -3.820 101 2HB ABA 20 2HB ABA 20 -4.149 -16.308 -4.999 102 1HG ABA 20 1HG ABA 20 -2.150 -14.887 -3.222 103 2HG ABA 20 2HG ABA 20 -3.439 -15.607 -2.312 104 3HG ABA 20 3HG ABA 20 -3.821 -14.446 -3.558 105 H MET 21 H MET 21 0.021 -15.085 -5.271 106 HA MET 21 HA MET 21 1.382 -16.580 -3.109 107 1HB MET 21 2HB MET 21 3.487 -16.564 -4.473 108 2HB MET 21 1HB MET 21 2.246 -17.498 -5.280 109 1HG MET 21 2HG MET 21 1.769 -15.751 -6.818 110 2HG MET 21 1HG MET 21 2.776 -14.605 -5.973 111 1HE MET 21 3HE MET 21 5.460 -15.703 -5.479 112 2HE MET 21 2HE MET 21 5.123 -17.413 -5.783 113 3HE MET 21 1HE MET 21 6.287 -16.555 -6.782 114 H HIS 22 H HIS 22 3.092 -15.034 -2.196 115 HA HIS 22 HA HIS 22 2.084 -12.256 -2.619 116 1HB HIS 22 2HB HIS 22 2.008 -13.230 -0.392 117 2HB HIS 22 1HB HIS 22 3.778 -13.424 -0.431 118 HD1 HIS 22 HD1 HIS 22 3.258 -10.261 -1.925 119 HD2 HIS 22 HD2 HIS 22 3.011 -11.721 1.960 120 HE1 HIS 22 HE1 HIS 22 3.461 -8.392 -0.360 121 H ILE 23 H ILE 23 3.431 -10.831 -3.704 122 HA ILE 23 HA ILE 23 6.085 -11.855 -4.277 123 HB ILE 23 HB ILE 23 4.018 -11.009 -5.897 124 1HG1 ILE 23 2HG1 ILE 23 5.972 -10.812 -7.582 125 2HG1 ILE 23 1HG1 ILE 23 6.967 -11.363 -6.261 126 1HG2 ILE 23 1HG2 ILE 23 4.697 -8.629 -5.052 127 2HG2 ILE 23 3HG2 ILE 23 6.031 -8.786 -6.156 128 3HG2 ILE 23 2HG2 ILE 23 4.380 -8.836 -6.762 129 1HD1 ILE 23 3HD1 ILE 23 4.855 -13.212 -6.201 130 2HD1 ILE 23 2HD1 ILE 23 4.999 -12.882 -7.913 131 3HD1 ILE 23 1HD1 ILE 23 6.374 -13.488 -7.028 132 H GLU 24 H GLU 24 5.148 -10.276 -1.920 133 HA GLU 24 HA GLU 24 5.779 -7.668 -1.676 134 1HB GLU 24 2HB GLU 24 5.803 -9.787 0.236 135 2HB GLU 24 1HB GLU 24 7.432 -9.166 0.352 136 1HG GLU 24 2HG GLU 24 4.882 -7.517 0.783 137 2HG GLU 24 1HG GLU 24 6.057 -7.970 1.984 138 H SER 25 H SER 25 8.105 -10.063 -1.780 139 HA SER 25 HA SER 25 10.551 -9.008 -1.590 140 1HB SER 25 2HB SER 25 9.504 -10.797 -3.810 141 2HB SER 25 1HB SER 25 11.239 -10.606 -3.486 142 HG SER 25 HG SER 25 9.629 -12.202 -2.185 143 H LEU 26 H LEU 26 8.631 -8.592 -4.305 144 HA LEU 26 HA LEU 26 10.417 -6.489 -5.415 145 1HB LEU 26 2HB LEU 26 8.529 -7.088 -7.424 146 2HB LEU 26 1HB LEU 26 10.235 -7.461 -7.443 147 HG LEU 26 HG LEU 26 8.229 -9.150 -6.043 148 1HD1 LEU 26 1HD1 LEU 26 9.049 -9.295 -8.998 149 2HD1 LEU 26 3HD1 LEU 26 8.180 -10.590 -8.200 150 3HD1 LEU 26 2HD1 LEU 26 7.433 -9.012 -8.380 151 1HD2 LEU 26 1HD2 LEU 26 10.821 -9.491 -5.757 152 2HD2 LEU 26 3HD2 LEU 26 9.933 -10.931 -6.236 153 3HD2 LEU 26 2HD2 LEU 26 10.843 -10.015 -7.423 154 H ASP 27 H ASP 27 7.137 -7.274 -4.557 155 HA ASP 27 HA ASP 27 6.574 -4.391 -4.551 156 1HB ASP 27 2HB ASP 27 5.213 -6.319 -6.472 157 2HB ASP 27 1HB ASP 27 4.368 -4.876 -5.943 158 H SER 28 H SER 28 4.234 -6.968 -4.680 159 HA SER 28 HA SER 28 3.607 -6.780 -1.790 160 1HB SER 28 2HB SER 28 1.801 -5.365 -1.847 161 2HB SER 28 1HB SER 28 2.679 -4.685 -3.198 162 HG SER 28 HG SER 28 1.302 -5.539 -4.575 163 H TYR 29 H TYR 29 0.825 -7.478 -2.787 164 HA TYR 29 HA TYR 29 1.392 -10.458 -3.046 165 1HB TYR 29 2HB TYR 29 -0.256 -10.381 -1.370 166 2HB TYR 29 1HB TYR 29 -0.886 -8.834 -1.928 167 HD1 TYR 29 HD2 TYR 29 -0.547 -12.285 -3.355 168 HD2 TYR 29 HD1 TYR 29 -3.118 -8.950 -2.705 169 HE1 TYR 29 HE2 TYR 29 -2.329 -13.401 -4.558 170 HE2 TYR 29 HE1 TYR 29 -4.893 -10.098 -3.878 171 HH TYR 29 HH TYR 29 -5.518 -12.487 -4.430 172 H THR 30 H THR 30 0.850 -11.651 -4.690 173 HA THR 30 HA THR 30 -0.706 -10.492 -6.873 174 HB THR 30 HB THR 30 1.828 -9.950 -6.809 175 HG1 THR 30 HG1 THR 30 1.188 -9.470 -8.865 176 1HG2 THR 30 1HG2 THR 30 2.537 -12.468 -6.806 177 2HG2 THR 30 3HG2 THR 30 1.934 -12.550 -8.455 178 3HG2 THR 30 2HG2 THR 30 3.258 -11.475 -8.070 179 H CYS 31 H CYS 31 -0.309 -12.194 -8.819 180 HA CYS 31 HA CYS 31 -0.854 -14.901 -7.643 181 1HB CYS 31 2HB CYS 31 -2.750 -13.262 -8.984 182 2HB CYS 31 1HB CYS 31 -2.243 -14.417 -10.195 183 H ASN 32 H ASN 32 -0.127 -16.579 -8.904 184 HA ASN 32 HA ASN 32 1.994 -15.907 -10.928 185 1HB ASN 32 2HB ASN 32 2.157 -17.456 -8.560 186 2HB ASN 32 1HB ASN 32 1.895 -18.677 -9.792 187 1HD2 ASN 32 2HD2 ASN 32 5.517 -18.339 -9.711 188 2HD2 ASN 32 1HD2 ASN 32 4.289 -19.071 -8.784 189 H CYS 33 H CYS 33 0.798 -15.872 -12.725 190 HA CYS 33 HA CYS 33 -1.379 -17.803 -13.057 191 1HB CYS 33 2HB CYS 33 -0.367 -15.612 -14.956 192 2HB CYS 33 1HB CYS 33 -1.807 -16.541 -15.101 193 H VAL 34 H VAL 34 -1.458 -18.890 -15.251 194 HA VAL 34 HA VAL 34 0.840 -20.552 -15.313 195 HB VAL 34 HB VAL 34 -1.521 -21.242 -15.900 196 1HG1 VAL 34 3HG1 VAL 34 -1.902 -19.091 -17.237 197 2HG1 VAL 34 2HG1 VAL 34 -1.373 -20.033 -18.623 198 3HG1 VAL 34 1HG1 VAL 34 -2.712 -20.584 -17.659 199 1HG2 VAL 34 3HG2 VAL 34 0.415 -22.637 -16.863 200 2HG2 VAL 34 2HG2 VAL 34 -1.144 -22.774 -17.661 201 3HG2 VAL 34 1HG2 VAL 34 0.100 -21.802 -18.388 202 H ILE 35 H ILE 35 1.914 -21.142 -17.158 203 HA ILE 35 HA ILE 35 3.637 -19.121 -18.158 204 HB ILE 35 HB ILE 35 4.433 -21.347 -18.242 205 1HG1 ILE 35 2HG1 ILE 35 3.649 -21.093 -21.167 206 2HG1 ILE 35 1HG1 ILE 35 4.739 -19.922 -20.465 207 1HG2 ILE 35 2HG2 ILE 35 1.795 -22.007 -19.562 208 2HG2 ILE 35 1HG2 ILE 35 3.133 -23.127 -19.669 209 3HG2 ILE 35 3HG2 ILE 35 2.491 -22.706 -18.099 210 1HD1 ILE 35 2HD1 ILE 35 6.171 -21.938 -19.683 211 2HD1 ILE 35 1HD1 ILE 35 5.175 -22.922 -20.742 212 3HD1 ILE 35 3HD1 ILE 35 6.147 -21.624 -21.406 213 H GLY 36 H GLY 36 0.588 -20.038 -19.051 214 1HA GLY 36 2HA GLY 36 0.635 -18.681 -21.679 215 2HA GLY 36 1HA GLY 36 -0.655 -19.714 -21.127 216 H TYR 37 H TYR 37 -0.623 -18.050 -18.501 217 HA TYR 37 HA TYR 37 -2.045 -15.610 -19.550 218 1HB TYR 37 2HB TYR 37 -2.690 -17.029 -16.964 219 2HB TYR 37 1HB TYR 37 -3.731 -15.945 -17.877 220 HD1 TYR 37 HD2 TYR 37 -3.229 -17.547 -20.628 221 HD2 TYR 37 HD1 TYR 37 -4.408 -18.737 -16.724 222 HE1 TYR 37 HE2 TYR 37 -4.390 -19.453 -21.553 223 HE2 TYR 37 HE1 TYR 37 -5.597 -20.663 -17.692 224 HH TYR 37 HH TYR 37 -5.470 -22.041 -19.769 225 H SER 38 H SER 38 -1.209 -13.759 -18.916 226 HA SER 38 HA SER 38 0.390 -13.911 -16.412 227 1HB SER 38 2HB SER 38 1.928 -14.441 -18.312 228 2HB SER 38 1HB SER 38 1.571 -12.876 -19.051 229 HG SER 38 HG SER 38 3.200 -13.449 -16.932 230 H GLY 39 H GLY 39 1.580 -11.300 -17.403 231 1HA GLY 39 2HA GLY 39 1.053 -8.984 -17.407 232 2HA GLY 39 1HA GLY 39 -0.651 -9.371 -17.157 233 H ASP 40 H ASP 40 -0.330 -11.097 -15.056 234 HA ASP 40 HA ASP 40 0.900 -11.027 -12.772 235 1HB ASP 40 2HB ASP 40 -0.044 -8.166 -13.160 236 2HB ASP 40 1HB ASP 40 -0.311 -8.834 -11.593 237 H ARG 41 H ARG 41 -2.021 -11.043 -14.334 238 HA ARG 41 HA ARG 41 -3.378 -11.984 -11.918 239 1HB ARG 41 2HB ARG 41 -3.693 -9.436 -12.866 240 2HB ARG 41 1HB ARG 41 -4.917 -10.234 -13.807 241 1HG ARG 41 2HG ARG 41 -4.739 -10.770 -10.894 242 2HG ARG 41 1HG ARG 41 -5.356 -9.224 -11.458 243 1HD ARG 41 2HD ARG 41 -6.533 -11.286 -13.018 244 2HD ARG 41 1HD ARG 41 -6.778 -11.611 -11.320 245 HE ARG 41 HE ARG 41 -7.504 -9.005 -12.549 246 1HH1 ARG 41 2HH1 ARG 41 -7.979 -8.100 -10.317 247 2HH1 ARG 41 1HH1 ARG 41 -9.340 -8.875 -9.551 248 1HH2 ARG 41 1HH2 ARG 41 -9.137 -11.630 -11.697 249 2HH2 ARG 41 2HH2 ARG 41 -10.012 -10.927 -10.379 250 H CYS 42 H CYS 42 -2.609 -12.472 -15.047 251 HA CYS 42 HA CYS 42 -3.085 -14.093 -16.517 252 1HB CYS 42 2HB CYS 42 -5.493 -15.297 -15.230 253 2HB CYS 42 1HB CYS 42 -4.044 -16.073 -15.786 254 H GLN 43 H GLN 43 -4.086 -11.625 -16.336 255 HA GLN 43 HA GLN 43 -6.922 -11.522 -17.134 256 1HB GLN 43 2HB GLN 43 -6.443 -9.070 -17.169 257 2HB GLN 43 1HB GLN 43 -5.972 -9.792 -15.627 258 1HG GLN 43 2HG GLN 43 -3.736 -9.961 -17.407 259 2HG GLN 43 1HG GLN 43 -4.402 -8.330 -17.488 260 1HE2 GLN 43 2HE2 GLN 43 -1.951 -9.117 -14.566 261 2HE2 GLN 43 1HE2 GLN 43 -2.045 -10.049 -16.005 262 H THR 44 H THR 44 -3.873 -11.818 -18.375 263 HA THR 44 HA THR 44 -4.750 -11.354 -21.198 264 HB THR 44 HB THR 44 -3.027 -9.810 -20.082 265 HG1 THR 44 HG1 THR 44 -1.613 -10.702 -22.209 266 1HG2 THR 44 2HG2 THR 44 -1.751 -11.689 -19.043 267 2HG2 THR 44 1HG2 THR 44 -1.042 -11.987 -20.622 268 3HG2 THR 44 3HG2 THR 44 -0.800 -10.427 -19.812 269 H ARG 45 H ARG 45 -5.562 -13.413 -21.158 270 HA ARG 45 HA ARG 45 -3.916 -15.660 -20.327 271 1HB ARG 45 2HB ARG 45 -6.466 -15.802 -21.965 272 2HB ARG 45 1HB ARG 45 -5.798 -16.915 -20.829 273 1HG ARG 45 2HG ARG 45 -6.219 -15.466 -18.935 274 2HG ARG 45 1HG ARG 45 -6.767 -14.166 -19.967 275 1HD ARG 45 2HD ARG 45 -8.210 -16.821 -19.632 276 2HD ARG 45 1HD ARG 45 -8.721 -15.230 -19.051 277 HE ARG 45 HE ARG 45 -8.368 -15.717 -21.980 278 1HH1 ARG 45 2HH1 ARG 45 -9.287 -13.374 -22.259 279 2HH1 ARG 45 1HH1 ARG 45 -10.977 -13.298 -21.881 280 1HH2 ARG 45 1HH2 ARG 45 -10.787 -16.344 -20.135 281 2HH2 ARG 45 2HH2 ARG 45 -11.882 -15.084 -20.602 282 H ASP 46 H ASP 46 -2.199 -15.551 -21.596 283 HA ASP 46 HA ASP 46 -2.576 -15.087 -24.430 284 1HB ASP 46 2HB ASP 46 -0.406 -14.295 -23.348 285 2HB ASP 46 1HB ASP 46 -0.042 -15.935 -22.849 286 H LEU 47 H LEU 47 -4.142 -16.913 -24.246 287 HA LEU 47 HA LEU 47 -3.784 -19.470 -23.432 288 1HB LEU 47 2HB LEU 47 -5.493 -18.164 -25.486 289 2HB LEU 47 1HB LEU 47 -5.174 -19.834 -25.883 290 HG LEU 47 HG LEU 47 -5.947 -20.491 -23.534 291 1HD1 LEU 47 3HD1 LEU 47 -5.577 -17.959 -22.768 292 2HD1 LEU 47 2HD1 LEU 47 -7.216 -17.748 -23.330 293 3HD1 LEU 47 1HD1 LEU 47 -6.868 -18.902 -22.057 294 1HD2 LEU 47 1HD2 LEU 47 -7.926 -19.003 -25.321 295 2HD2 LEU 47 3HD2 LEU 47 -7.510 -20.704 -25.418 296 3HD2 LEU 47 2HD2 LEU 47 -8.381 -20.093 -24.027 297 H ARG 48 HN ARG 48 -2.219 -21.033 -24.021 298 HA ARG 48 HA ARG 48 -1.186 -21.004 -26.785 299 1HB ARG 48 2HB ARG 48 1.129 -21.556 -25.796 300 2HB ARG 48 1HB ARG 48 0.553 -19.926 -25.534 301 1HG ARG 48 2HG ARG 48 -0.337 -20.742 -23.258 302 2HG ARG 48 1HG ARG 48 0.588 -22.208 -23.508 303 1HD ARG 48 2HD ARG 48 1.776 -19.393 -23.633 304 2HD ARG 48 1HD ARG 48 1.771 -20.368 -22.174 305 HE ARG 48 HE ARG 48 3.137 -22.081 -23.468 306 1HH1 ARG 48 1HH1 ARG 48 3.767 -21.796 -25.895 307 2HH1 ARG 48 2HH1 ARG 48 4.890 -20.511 -26.139 308 1HH2 ARG 48 1HH2 ARG 48 4.077 -19.155 -22.959 309 2HH2 ARG 48 2HH2 ARG 48 5.100 -18.890 -24.324 No H/Q in entry = 309 Start of MODEL 12 1 1H PRO 4 1H PRO 4 0.022 0.399 -4.131 2 2H PRO 4 2H PRO 4 0.973 1.501 -5.026 3 HA PRO 4 HA PRO 4 2.810 0.475 -4.383 4 1HB PRO 4 2HB PRO 4 2.939 0.497 -1.599 5 2HB PRO 4 1HB PRO 4 3.298 1.898 -2.610 6 1HG PRO 4 2HG PRO 4 0.705 1.206 -1.195 7 2HG PRO 4 1HG PRO 4 1.497 2.777 -1.331 8 1HD PRO 4 2HD PRO 4 -0.599 2.120 -2.916 9 2HD PRO 4 1HD PRO 4 0.726 3.114 -3.535 10 H GLY 5 H GLY 5 0.398 -1.210 -4.679 11 1HA GLY 5 2HA GLY 5 0.878 -3.729 -4.639 12 2HA GLY 5 1HA GLY 5 1.168 -3.489 -2.917 13 1HN ABA 6 HN ABA 6 -0.605 -5.383 -3.437 14 HA ABA 6 HA ABA 6 -3.162 -4.051 -2.707 15 1HB ABA 6 1HB ABA 6 -3.728 -6.504 -4.183 16 2HB ABA 6 2HB ABA 6 -2.604 -5.535 -5.106 17 1HG ABA 6 1HG ABA 6 -4.177 -3.557 -4.880 18 2HG ABA 6 2HG ABA 6 -5.318 -4.606 -4.046 19 3HG ABA 6 3HG ABA 6 -4.909 -4.918 -5.726 20 HA PRO 7 HA PRO 7 -2.540 -8.282 -0.645 21 1HB PRO 7 2HB PRO 7 -0.992 -8.071 1.515 22 2HB PRO 7 1HB PRO 7 -0.237 -8.127 -0.061 23 1HG PRO 7 2HG PRO 7 -0.821 -5.649 1.611 24 2HG PRO 7 1HG PRO 7 0.627 -6.017 0.680 25 1HD PRO 7 2HD PRO 7 -1.459 -4.389 -0.278 26 2HD PRO 7 1HD PRO 7 -0.402 -5.305 -1.359 27 H SER 8 H SER 8 -4.055 -5.735 0.054 28 HA SER 8 HA SER 8 -5.103 -6.332 2.760 29 1HB SER 8 2HB SER 8 -4.707 -3.931 1.304 30 2HB SER 8 1HB SER 8 -6.455 -4.158 1.250 31 HG SER 8 HG SER 8 -6.385 -3.560 3.322 32 H SER 9 H SER 9 -5.871 -6.805 -0.586 33 HA SER 9 HA SER 9 -8.176 -8.417 0.187 34 1HB SER 9 2HB SER 9 -9.158 -6.070 -0.233 35 2HB SER 9 1HB SER 9 -8.599 -6.231 -1.912 36 HG SER 9 HG SER 9 -10.747 -7.331 -0.779 37 H TYR 10 H TYR 10 -8.111 -10.225 -1.048 38 HA TYR 10 HA TYR 10 -6.802 -10.097 -3.651 39 1HB TYR 10 2HB TYR 10 -6.254 -12.613 -3.053 40 2HB TYR 10 1HB TYR 10 -5.297 -11.358 -2.312 41 HD1 TYR 10 HD1 TYR 10 -8.134 -13.646 -1.612 42 HD2 TYR 10 HD2 TYR 10 -5.275 -10.939 -0.001 43 HE1 TYR 10 HE1 TYR 10 -8.713 -14.377 0.669 44 HE2 TYR 10 HE2 TYR 10 -5.851 -11.667 2.261 45 HH TYR 10 HH TYR 10 -7.050 -13.259 3.510 46 H ASP 11 H ASP 11 -9.622 -9.889 -2.671 47 HA ASP 11 HA ASP 11 -10.976 -12.260 -3.542 48 1HB ASP 11 2HB ASP 11 -11.909 -10.356 -1.969 49 2HB ASP 11 1HB ASP 11 -12.247 -9.476 -3.448 50 H GLY 12 H GLY 12 -11.210 -12.843 -5.605 51 1HA GLY 12 2HA GLY 12 -11.155 -12.768 -7.972 52 2HA GLY 12 1HA GLY 12 -12.032 -11.247 -7.794 53 H TYR 13 H TYR 13 -8.775 -12.015 -6.689 54 HA TYR 13 HA TYR 13 -7.777 -9.670 -8.259 55 1HB TYR 13 2HB TYR 13 -7.105 -9.895 -5.806 56 2HB TYR 13 1HB TYR 13 -6.475 -11.510 -6.092 57 HD1 TYR 13 HD2 TYR 13 -4.482 -11.680 -7.808 58 HD2 TYR 13 HD1 TYR 13 -5.568 -8.053 -5.861 59 HE1 TYR 13 HE2 TYR 13 -2.248 -10.805 -8.192 60 HE2 TYR 13 HE1 TYR 13 -3.315 -7.183 -6.260 61 HH TYR 13 HH TYR 13 -0.976 -8.188 -6.644 62 H CYS 14 H CYS 14 -7.966 -12.990 -8.471 63 HA CYS 14 HA CYS 14 -5.983 -12.959 -10.707 64 1HB CYS 14 2HB CYS 14 -6.644 -15.447 -9.142 65 2HB CYS 14 1HB CYS 14 -5.255 -15.002 -10.118 66 H LEU 15 H LEU 15 -6.507 -14.441 -12.363 67 HA LEU 15 HA LEU 15 -9.433 -14.777 -12.817 68 1HB LEU 15 2HB LEU 15 -7.478 -13.310 -14.204 69 2HB LEU 15 1HB LEU 15 -7.770 -14.651 -15.235 70 HG LEU 15 HG LEU 15 -10.320 -13.448 -14.438 71 1HD1 LEU 15 3HD1 LEU 15 -8.038 -11.556 -15.195 72 2HD1 LEU 15 2HD1 LEU 15 -9.656 -11.161 -15.712 73 3HD1 LEU 15 1HD1 LEU 15 -9.295 -11.321 -14.012 74 1HD2 LEU 15 1HD2 LEU 15 -8.683 -13.686 -17.010 75 2HD2 LEU 15 3HD2 LEU 15 -10.093 -14.619 -16.561 76 3HD2 LEU 15 2HD2 LEU 15 -10.255 -12.923 -16.994 77 H ASN 16 H ASN 16 -6.439 -16.378 -13.404 78 HA ASN 16 HA ASN 16 -7.905 -18.905 -13.802 79 1HB ASN 16 2HB ASN 16 -6.056 -17.795 -15.936 80 2HB ASN 16 1HB ASN 16 -6.551 -19.482 -15.880 81 1HD2 ASN 16 2HD2 ASN 16 -9.249 -16.665 -16.975 82 2HD2 ASN 16 1HD2 ASN 16 -7.752 -16.188 -16.327 83 H GLY 17 H GLY 17 -4.431 -18.221 -14.402 84 1HA GLY 17 2HA GLY 17 -3.714 -20.774 -13.174 85 2HA GLY 17 1HA GLY 17 -2.573 -19.618 -13.837 86 H GLY 18 H GLY 18 -3.986 -17.556 -12.424 87 1HA GLY 18 2HA GLY 18 -2.864 -16.290 -10.617 88 2HA GLY 18 1HA GLY 18 -4.487 -16.801 -10.204 89 H VAL 19 H VAL 19 -1.106 -17.862 -9.732 90 HA VAL 19 HA VAL 19 -2.041 -19.201 -7.297 91 HB VAL 19 HB VAL 19 0.480 -19.092 -9.055 92 1HG1 VAL 19 1HG1 VAL 19 0.463 -19.896 -6.149 93 2HG1 VAL 19 3HG1 VAL 19 1.718 -20.423 -7.274 94 3HG1 VAL 19 2HG1 VAL 19 1.486 -18.713 -6.949 95 1HG2 VAL 19 1HG2 VAL 19 -1.290 -20.861 -9.373 96 2HG2 VAL 19 3HG2 VAL 19 0.307 -21.510 -9.106 97 3HG2 VAL 19 2HG2 VAL 19 -0.872 -21.522 -7.803 98 1HN ABA 20 HN ABA 20 -2.574 -17.793 -6.007 99 HA ABA 20 HA ABA 20 -1.627 -15.140 -5.737 100 1HB ABA 20 1HB ABA 20 -3.310 -17.016 -4.037 101 2HB ABA 20 2HB ABA 20 -3.827 -15.818 -5.142 102 1HG ABA 20 1HG ABA 20 -3.845 -14.300 -3.318 103 2HG ABA 20 2HG ABA 20 -2.140 -14.610 -2.995 104 3HG ABA 20 3HG ABA 20 -3.356 -15.625 -2.286 105 H MET 21 H MET 21 0.475 -14.996 -5.508 106 HA MET 21 HA MET 21 1.741 -16.159 -3.072 107 1HB MET 21 2HB MET 21 3.902 -15.957 -4.354 108 2HB MET 21 1HB MET 21 2.782 -17.119 -5.033 109 1HG MET 21 2HG MET 21 2.091 -15.553 -6.752 110 2HG MET 21 1HG MET 21 3.044 -14.277 -6.068 111 1HE MET 21 3HE MET 21 5.865 -15.325 -5.555 112 2HE MET 21 2HE MET 21 5.437 -17.038 -5.656 113 3HE MET 21 1HE MET 21 6.594 -16.356 -6.787 114 H HIS 22 H HIS 22 2.538 -14.770 -1.655 115 HA HIS 22 HA HIS 22 2.093 -11.960 -2.127 116 1HB HIS 22 2HB HIS 22 1.914 -13.050 0.116 117 2HB HIS 22 1HB HIS 22 3.687 -13.199 0.103 118 HD1 HIS 22 HD1 HIS 22 3.211 -10.116 -1.513 119 HD2 HIS 22 HD2 HIS 22 2.750 -11.409 2.422 120 HE1 HIS 22 HE1 HIS 22 3.343 -8.182 0.004 121 H ILE 23 H ILE 23 3.489 -10.895 -3.476 122 HA ILE 23 HA ILE 23 6.205 -11.901 -3.739 123 HB ILE 23 HB ILE 23 4.232 -11.027 -5.525 124 1HG1 ILE 23 2HG1 ILE 23 6.503 -10.804 -7.007 125 2HG1 ILE 23 1HG1 ILE 23 7.068 -11.797 -5.692 126 1HG2 ILE 23 2HG2 ILE 23 4.888 -8.685 -4.702 127 2HG2 ILE 23 1HG2 ILE 23 6.303 -8.862 -5.705 128 3HG2 ILE 23 3HG2 ILE 23 4.698 -8.912 -6.429 129 1HD1 ILE 23 3HD1 ILE 23 4.877 -13.208 -6.151 130 2HD1 ILE 23 2HD1 ILE 23 4.887 -12.405 -7.711 131 3HD1 ILE 23 1HD1 ILE 23 6.231 -13.404 -7.239 132 H GLU 24 H GLU 24 5.162 -10.319 -1.453 133 HA GLU 24 HA GLU 24 5.916 -7.660 -1.318 134 1HB GLU 24 2HB GLU 24 5.565 -9.663 0.704 135 2HB GLU 24 1HB GLU 24 7.203 -9.120 0.961 136 1HG GLU 24 2HG GLU 24 4.943 -7.090 0.678 137 2HG GLU 24 1HG GLU 24 5.364 -7.800 2.225 138 H SER 25 H SER 25 7.828 -10.357 -1.348 139 HA SER 25 HA SER 25 10.388 -9.826 -0.904 140 1HB SER 25 2HB SER 25 9.629 -11.060 -3.587 141 2HB SER 25 1HB SER 25 10.799 -11.708 -2.424 142 HG SER 25 HG SER 25 9.131 -12.773 -1.619 143 H LEU 26 H LEU 26 8.742 -8.859 -3.618 144 HA LEU 26 HA LEU 26 10.826 -6.913 -4.446 145 1HB LEU 26 2HB LEU 26 8.979 -7.211 -6.604 146 2HB LEU 26 1HB LEU 26 10.670 -7.644 -6.609 147 HG LEU 26 HG LEU 26 8.497 -9.323 -5.468 148 1HD1 LEU 26 1HD1 LEU 26 9.561 -9.260 -8.356 149 2HD1 LEU 26 3HD1 LEU 26 8.587 -10.581 -7.743 150 3HD1 LEU 26 2HD1 LEU 26 7.909 -8.968 -7.839 151 1HD2 LEU 26 2HD2 LEU 26 11.019 -9.899 -5.006 152 2HD2 LEU 26 1HD2 LEU 26 10.124 -11.204 -5.771 153 3HD2 LEU 26 3HD2 LEU 26 11.191 -10.190 -6.722 154 H ASP 27 H ASP 27 7.440 -7.548 -4.082 155 HA ASP 27 HA ASP 27 6.969 -4.666 -3.774 156 1HB ASP 27 2HB ASP 27 5.767 -6.320 -6.008 157 2HB ASP 27 1HB ASP 27 4.909 -4.902 -5.421 158 H SER 28 H SER 28 4.448 -7.034 -4.375 159 HA SER 28 HA SER 28 3.569 -6.855 -1.524 160 1HB SER 28 2HB SER 28 1.836 -5.399 -1.761 161 2HB SER 28 1HB SER 28 2.766 -4.824 -3.125 162 HG SER 28 HG SER 28 1.420 -6.613 -4.311 163 H TYR 29 H TYR 29 0.836 -7.530 -2.548 164 HA TYR 29 HA TYR 29 1.455 -10.453 -2.951 165 1HB TYR 29 2HB TYR 29 -0.316 -10.471 -1.305 166 2HB TYR 29 1HB TYR 29 -0.913 -8.898 -1.835 167 HD1 TYR 29 HD2 TYR 29 -0.493 -12.310 -3.351 168 HD2 TYR 29 HD1 TYR 29 -3.067 -8.939 -2.822 169 HE1 TYR 29 HE2 TYR 29 -2.195 -13.368 -4.711 170 HE2 TYR 29 HE1 TYR 29 -4.755 -10.049 -4.177 171 HH TYR 29 HH TYR 29 -4.113 -12.978 -5.936 172 H THR 30 H THR 30 0.998 -11.533 -4.626 173 HA THR 30 HA THR 30 -0.518 -10.284 -6.742 174 HB THR 30 HB THR 30 2.184 -9.755 -6.297 175 HG1 THR 30 HG1 THR 30 0.333 -9.142 -8.148 176 1HG2 THR 30 1HG2 THR 30 2.753 -12.049 -7.116 177 2HG2 THR 30 3HG2 THR 30 2.109 -11.607 -8.699 178 3HG2 THR 30 2HG2 THR 30 3.490 -10.741 -8.026 179 H CYS 31 H CYS 31 -0.263 -11.837 -8.815 180 HA CYS 31 HA CYS 31 -0.520 -14.617 -7.751 181 1HB CYS 31 2HB CYS 31 -2.552 -12.972 -9.045 182 2HB CYS 31 1HB CYS 31 -2.165 -14.268 -10.116 183 H ASN 32 H ASN 32 0.332 -16.211 -8.932 184 HA ASN 32 HA ASN 32 2.104 -15.454 -11.234 185 1HB ASN 32 2HB ASN 32 3.402 -16.709 -9.582 186 2HB ASN 32 1HB ASN 32 2.125 -17.873 -9.330 187 1HD2 ASN 32 2HD2 ASN 32 2.937 -19.608 -12.448 188 2HD2 ASN 32 1HD2 ASN 32 1.546 -19.159 -11.590 189 H CYS 33 H CYS 33 0.876 -15.730 -13.056 190 HA CYS 33 HA CYS 33 -1.362 -17.633 -13.034 191 1HB CYS 33 2HB CYS 33 -0.399 -15.720 -15.208 192 2HB CYS 33 1HB CYS 33 -1.854 -16.652 -15.196 193 H VAL 34 H VAL 34 -0.315 -17.637 -16.121 194 HA VAL 34 HA VAL 34 1.405 -19.978 -15.735 195 HB VAL 34 HB VAL 34 -0.967 -20.808 -15.787 196 1HG1 VAL 34 1HG1 VAL 34 -1.772 -18.928 -17.234 197 2HG1 VAL 34 3HG1 VAL 34 -1.331 -19.926 -18.616 198 3HG1 VAL 34 2HG1 VAL 34 -2.457 -20.526 -17.434 199 1HG2 VAL 34 3HG2 VAL 34 0.855 -22.244 -16.984 200 2HG2 VAL 34 2HG2 VAL 34 -0.844 -22.559 -17.281 201 3HG2 VAL 34 1HG2 VAL 34 0.075 -21.692 -18.475 202 H ILE 35 H ILE 35 2.189 -20.815 -17.639 203 HA ILE 35 HA ILE 35 3.610 -18.910 -19.191 204 HB ILE 35 HB ILE 35 4.467 -21.088 -19.135 205 1HG1 ILE 35 2HG1 ILE 35 3.161 -21.387 -21.841 206 2HG1 ILE 35 1HG1 ILE 35 4.153 -19.973 -21.561 207 1HG2 ILE 35 2HG2 ILE 35 1.680 -22.069 -19.802 208 2HG2 ILE 35 1HG2 ILE 35 3.065 -23.119 -19.981 209 3HG2 ILE 35 3HG2 ILE 35 2.674 -22.477 -18.407 210 1HD1 ILE 35 3HD1 ILE 35 5.133 -22.816 -21.062 211 2HD1 ILE 35 2HD1 ILE 35 5.495 -21.877 -22.501 212 3HD1 ILE 35 1HD1 ILE 35 6.087 -21.345 -20.937 213 H GLY 36 H GLY 36 0.476 -20.009 -19.355 214 1HA GLY 36 2HA GLY 36 -0.022 -18.880 -22.043 215 2HA GLY 36 1HA GLY 36 -1.104 -20.001 -21.225 216 H TYR 37 H TYR 37 -0.671 -18.043 -18.812 217 HA TYR 37 HA TYR 37 -2.475 -15.814 -19.642 218 1HB TYR 37 2HB TYR 37 -2.842 -17.249 -16.986 219 2HB TYR 37 1HB TYR 37 -3.990 -16.257 -17.841 220 HD1 TYR 37 HD2 TYR 37 -3.917 -17.770 -20.544 221 HD2 TYR 37 HD1 TYR 37 -4.251 -19.208 -16.577 222 HE1 TYR 37 HE2 TYR 37 -5.123 -19.669 -21.380 223 HE2 TYR 37 HE1 TYR 37 -5.489 -21.165 -17.439 224 HH TYR 37 HH TYR 37 -6.871 -21.271 -20.388 225 H SER 38 H SER 38 -1.538 -13.956 -19.164 226 HA SER 38 HA SER 38 0.351 -14.093 -16.819 227 1HB SER 38 2HB SER 38 1.539 -14.324 -19.075 228 2HB SER 38 1HB SER 38 1.089 -12.647 -19.413 229 HG SER 38 HG SER 38 3.075 -13.505 -17.896 230 H GLY 39 H GLY 39 1.328 -11.432 -17.416 231 1HA GLY 39 2HA GLY 39 0.717 -9.134 -17.148 232 2HA GLY 39 1HA GLY 39 -0.971 -9.605 -16.963 233 H ASP 40 H ASP 40 -0.884 -11.387 -15.092 234 HA ASP 40 HA ASP 40 0.224 -11.658 -12.728 235 1HB ASP 40 2HB ASP 40 0.963 -9.437 -12.161 236 2HB ASP 40 1HB ASP 40 -0.455 -8.691 -12.864 237 H ARG 41 H ARG 41 -2.557 -10.928 -14.420 238 HA ARG 41 HA ARG 41 -4.284 -11.683 -12.105 239 1HB ARG 41 2HB ARG 41 -4.398 -9.408 -13.730 240 2HB ARG 41 1HB ARG 41 -5.613 -10.420 -14.473 241 1HG ARG 41 2HG ARG 41 -5.516 -9.935 -11.490 242 2HG ARG 41 1HG ARG 41 -6.347 -8.838 -12.552 243 1HD ARG 41 2HD ARG 41 -7.199 -11.405 -13.279 244 2HD ARG 41 1HD ARG 41 -7.134 -11.350 -11.531 245 HE ARG 41 HE ARG 41 -8.478 -9.139 -12.976 246 1HH1 ARG 41 1HH2 ARG 41 -9.160 -12.096 -11.678 247 2HH1 ARG 41 2HH2 ARG 41 -10.366 -11.551 -10.566 248 1HH2 ARG 41 2HH1 ARG 41 -9.665 -8.181 -11.340 249 2HH2 ARG 41 1HH1 ARG 41 -10.656 -9.213 -10.353 250 H CYS 42 H CYS 42 -3.283 -12.316 -15.244 251 HA CYS 42 HA CYS 42 -3.386 -14.123 -16.538 252 1HB CYS 42 2HB CYS 42 -5.640 -15.492 -15.039 253 2HB CYS 42 1HB CYS 42 -4.196 -16.200 -15.719 254 H GLN 43 H GLN 43 -4.688 -11.896 -16.584 255 HA GLN 43 HA GLN 43 -7.480 -12.100 -17.552 256 1HB GLN 43 2HB GLN 43 -7.081 -9.529 -17.934 257 2HB GLN 43 1HB GLN 43 -7.107 -10.051 -16.271 258 1HG GLN 43 2HG GLN 43 -5.068 -8.700 -16.350 259 2HG GLN 43 1HG GLN 43 -4.442 -10.255 -16.543 260 1HE2 GLN 43 2HE2 GLN 43 -2.830 -9.046 -19.228 261 2HE2 GLN 43 1HE2 GLN 43 -2.839 -9.877 -17.740 262 H THR 44 H THR 44 -4.270 -11.937 -18.562 263 HA THR 44 HA THR 44 -5.028 -11.679 -21.448 264 HB THR 44 HB THR 44 -3.279 -10.104 -20.869 265 HG1 THR 44 HG1 THR 44 -2.290 -10.765 -22.616 266 1HG2 THR 44 2HG2 THR 44 -2.543 -11.618 -18.820 267 2HG2 THR 44 1HG2 THR 44 -1.357 -12.160 -19.993 268 3HG2 THR 44 3HG2 THR 44 -1.450 -10.459 -19.550 269 H ARG 45 H ARG 45 -5.829 -13.757 -21.544 270 HA ARG 45 HA ARG 45 -4.121 -15.942 -20.699 271 1HB ARG 45 2HB ARG 45 -6.723 -15.871 -22.287 272 2HB ARG 45 1HB ARG 45 -6.006 -17.248 -21.521 273 1HG ARG 45 2HG ARG 45 -6.030 -15.393 -19.440 274 2HG ARG 45 1HG ARG 45 -7.474 -15.002 -20.343 275 1HD ARG 45 2HD ARG 45 -6.718 -17.637 -18.997 276 2HD ARG 45 1HD ARG 45 -8.150 -16.635 -18.777 277 HE ARG 45 HE ARG 45 -7.689 -18.100 -21.346 278 1HH1 ARG 45 1HH2 ARG 45 -9.881 -17.227 -22.149 279 2HH1 ARG 45 2HH2 ARG 45 -11.229 -17.794 -21.224 280 1HH2 ARG 45 2HH1 ARG 45 -9.081 -18.785 -18.572 281 2HH2 ARG 45 1HH1 ARG 45 -10.726 -18.741 -19.063 282 H ASP 46 H ASP 46 -2.404 -15.562 -21.831 283 HA ASP 46 HA ASP 46 -2.393 -14.781 -24.488 284 1HB ASP 46 2HB ASP 46 -0.338 -14.696 -23.059 285 2HB ASP 46 1HB ASP 46 -0.273 -16.457 -23.003 286 H LEU 47 H LEU 47 -3.042 -17.616 -22.957 287 HA LEU 47 HA LEU 47 -3.817 -19.695 -23.379 288 1HB LEU 47 2HB LEU 47 -4.783 -18.060 -25.460 289 2HB LEU 47 1HB LEU 47 -4.051 -19.357 -26.370 290 HG LEU 47 HG LEU 47 -5.980 -19.895 -24.048 291 1HD1 LEU 47 1HD1 LEU 47 -6.675 -19.507 -26.993 292 2HD1 LEU 47 3HD1 LEU 47 -7.791 -20.042 -25.745 293 3HD1 LEU 47 2HD1 LEU 47 -7.117 -18.427 -25.684 294 1HD2 LEU 47 3HD2 LEU 47 -5.130 -21.539 -26.491 295 2HD2 LEU 47 2HD2 LEU 47 -4.671 -21.858 -24.831 296 3HD2 LEU 47 1HD2 LEU 47 -6.342 -22.046 -25.326 297 H ARG 48 HN ARG 48 -1.268 -19.633 -23.121 298 HA ARG 48 HA ARG 48 -0.258 -21.532 -25.154 299 1HB ARG 48 2HB ARG 48 0.870 -19.037 -24.269 300 2HB ARG 48 1HB ARG 48 1.959 -20.268 -23.682 301 1HG ARG 48 2HG ARG 48 2.495 -21.043 -25.828 302 2HG ARG 48 1HG ARG 48 0.975 -20.520 -26.526 303 1HD ARG 48 2HD ARG 48 1.729 -18.429 -27.020 304 2HD ARG 48 1HD ARG 48 2.613 -18.271 -25.503 305 HE ARG 48 HE ARG 48 3.674 -19.903 -27.782 306 1HH1 ARG 48 1HH1 ARG 48 5.089 -20.066 -25.287 307 2HH1 ARG 48 2HH1 ARG 48 6.291 -18.830 -25.362 308 1HH2 ARG 48 1HH2 ARG 48 4.516 -17.235 -27.992 309 2HH2 ARG 48 2HH2 ARG 48 5.928 -17.086 -27.009 No H/Q in entry = 309 Start of MODEL 13 1 1H PRO 4 1H PRO 4 1.650 0.352 -0.579 2 2H PRO 4 2H PRO 4 1.700 1.842 -1.402 3 HA PRO 4 HA PRO 4 2.732 0.873 -3.097 4 1HB PRO 4 2HB PRO 4 5.076 -0.318 -2.192 5 2HB PRO 4 1HB PRO 4 4.911 1.428 -2.424 6 1HG PRO 4 2HG PRO 4 4.572 -0.191 0.119 7 2HG PRO 4 1HG PRO 4 5.431 1.337 -0.096 8 1HD PRO 4 2HD PRO 4 2.936 1.331 0.931 9 2HD PRO 4 1HD PRO 4 3.417 2.598 -0.204 10 H GLY 5 H GLY 5 0.870 -0.686 -3.124 11 1HA GLY 5 2HA GLY 5 1.370 -3.212 -3.845 12 2HA GLY 5 1HA GLY 5 1.545 -3.366 -2.096 13 1HN ABA 6 HN ABA 6 -0.172 -5.001 -3.217 14 HA ABA 6 HA ABA 6 -2.817 -3.905 -2.428 15 1HB ABA 6 1HB ABA 6 -2.696 -5.956 -4.596 16 2HB ABA 6 2HB ABA 6 -2.097 -4.374 -5.010 17 1HG ABA 6 1HG ABA 6 -4.868 -4.945 -3.861 18 2HG ABA 6 2HG ABA 6 -4.509 -4.549 -5.535 19 3HG ABA 6 3HG ABA 6 -4.259 -3.349 -4.281 20 HA PRO 7 HA PRO 7 -2.494 -8.288 -0.664 21 1HB PRO 7 2HB PRO 7 -1.219 -8.096 1.749 22 2HB PRO 7 1HB PRO 7 -0.343 -8.380 0.245 23 1HG PRO 7 2HG PRO 7 -0.569 -5.851 1.846 24 2HG PRO 7 1HG PRO 7 0.724 -6.368 0.783 25 1HD PRO 7 2HD PRO 7 -1.396 -4.515 0.118 26 2HD PRO 7 1HD PRO 7 -0.188 -5.198 -0.985 27 H SER 8 H SER 8 -3.868 -5.571 -0.090 28 HA SER 8 HA SER 8 -5.131 -6.041 2.509 29 1HB SER 8 2HB SER 8 -4.851 -3.747 0.857 30 2HB SER 8 1HB SER 8 -6.576 -4.116 0.771 31 HG SER 8 HG SER 8 -6.729 -3.909 2.926 32 H SER 9 H SER 9 -5.787 -7.012 -0.759 33 HA SER 9 HA SER 9 -8.048 -8.573 0.188 34 1HB SER 9 2HB SER 9 -8.898 -6.122 -0.589 35 2HB SER 9 1HB SER 9 -8.724 -6.830 -2.206 36 HG SER 9 HG SER 9 -10.521 -7.427 -0.240 37 H TYR 10 H TYR 10 -8.075 -10.430 -0.979 38 HA TYR 10 HA TYR 10 -6.720 -10.525 -3.550 39 1HB TYR 10 2HB TYR 10 -6.066 -12.946 -2.661 40 2HB TYR 10 1HB TYR 10 -5.105 -11.597 -2.093 41 HD1 TYR 10 HD2 TYR 10 -7.957 -13.757 -1.185 42 HD2 TYR 10 HD1 TYR 10 -5.078 -10.934 0.201 43 HE1 TYR 10 HE2 TYR 10 -8.606 -14.226 1.134 44 HE2 TYR 10 HE1 TYR 10 -5.730 -11.406 2.505 45 HH TYR 10 HH TYR 10 -7.023 -12.653 3.843 46 H ASP 11 H ASP 11 -9.375 -10.116 -3.063 47 HA ASP 11 HA ASP 11 -10.683 -12.642 -3.659 48 1HB ASP 11 2HB ASP 11 -11.780 -9.887 -2.909 49 2HB ASP 11 1HB ASP 11 -12.786 -11.303 -3.171 50 H GLY 12 H GLY 12 -11.346 -13.018 -5.717 51 1HA GLY 12 2HA GLY 12 -11.404 -12.744 -8.075 52 2HA GLY 12 1HA GLY 12 -12.250 -11.244 -7.683 53 H TYR 13 H TYR 13 -9.060 -11.997 -6.723 54 HA TYR 13 HA TYR 13 -7.925 -9.673 -8.163 55 1HB TYR 13 2HB TYR 13 -7.634 -10.132 -5.665 56 2HB TYR 13 1HB TYR 13 -6.704 -11.577 -6.055 57 HD1 TYR 13 HD1 TYR 13 -4.588 -11.209 -7.554 58 HD2 TYR 13 HD2 TYR 13 -6.514 -8.090 -5.379 59 HE1 TYR 13 HE1 TYR 13 -2.540 -9.910 -7.614 60 HE2 TYR 13 HE2 TYR 13 -4.454 -6.804 -5.437 61 HH TYR 13 HH TYR 13 -1.594 -7.936 -5.894 62 H CYS 14 H CYS 14 -7.982 -13.034 -8.420 63 HA CYS 14 HA CYS 14 -5.840 -12.925 -10.506 64 1HB CYS 14 2HB CYS 14 -6.713 -15.393 -8.948 65 2HB CYS 14 1HB CYS 14 -5.314 -15.150 -9.951 66 H LEU 15 H LEU 15 -6.414 -14.257 -12.340 67 HA LEU 15 HA LEU 15 -9.362 -14.448 -12.775 68 1HB LEU 15 2HB LEU 15 -7.277 -13.118 -14.209 69 2HB LEU 15 1HB LEU 15 -7.804 -14.406 -15.217 70 HG LEU 15 HG LEU 15 -10.192 -13.041 -14.337 71 1HD1 LEU 15 2HD1 LEU 15 -7.823 -11.245 -15.063 72 2HD1 LEU 15 1HD1 LEU 15 -9.444 -10.737 -15.458 73 3HD1 LEU 15 3HD1 LEU 15 -8.996 -11.016 -13.796 74 1HD2 LEU 15 2HD2 LEU 15 -8.576 -13.257 -16.920 75 2HD2 LEU 15 1HD2 LEU 15 -10.049 -14.102 -16.509 76 3HD2 LEU 15 3HD2 LEU 15 -10.091 -12.384 -16.875 77 H ASN 16 H ASN 16 -6.447 -16.158 -13.383 78 HA ASN 16 HA ASN 16 -7.981 -18.636 -13.815 79 1HB ASN 16 2HB ASN 16 -6.056 -17.594 -15.913 80 2HB ASN 16 1HB ASN 16 -6.675 -19.244 -15.877 81 1HD2 ASN 16 2HD2 ASN 16 -9.084 -16.231 -17.014 82 2HD2 ASN 16 1HD2 ASN 16 -7.578 -15.870 -16.322 83 H GLY 17 H GLY 17 -4.490 -18.163 -14.566 84 1HA GLY 17 2HA GLY 17 -3.779 -20.678 -13.364 85 2HA GLY 17 1HA GLY 17 -2.643 -19.426 -13.837 86 H GLY 18 H GLY 18 -4.261 -17.565 -12.344 87 1HA GLY 18 2HA GLY 18 -3.357 -16.426 -10.379 88 2HA GLY 18 1HA GLY 18 -4.935 -17.103 -10.074 89 H VAL 19 H VAL 19 -1.518 -18.038 -9.649 90 HA VAL 19 HA VAL 19 -2.292 -19.384 -7.160 91 HB VAL 19 HB VAL 19 0.134 -19.258 -9.061 92 1HG1 VAL 19 1HG1 VAL 19 0.257 -20.082 -6.187 93 2HG1 VAL 19 3HG1 VAL 19 1.394 -20.716 -7.387 94 3HG1 VAL 19 2HG1 VAL 19 1.300 -18.987 -7.087 95 1HG2 VAL 19 3HG2 VAL 19 -1.327 -21.651 -7.865 96 2HG2 VAL 19 2HG2 VAL 19 -1.531 -21.014 -9.490 97 3HG2 VAL 19 1HG2 VAL 19 -0.009 -21.736 -9.027 98 1HN ABA 20 HN ABA 20 -2.835 -17.855 -6.015 99 HA ABA 20 HA ABA 20 -1.795 -15.246 -5.786 100 1HB ABA 20 1HB ABA 20 -3.487 -17.027 -4.008 101 2HB ABA 20 2HB ABA 20 -3.985 -15.852 -5.165 102 1HG ABA 20 1HG ABA 20 -2.237 -14.632 -3.047 103 2HG ABA 20 2HG ABA 20 -3.510 -15.554 -2.317 104 3HG ABA 20 3HG ABA 20 -3.917 -14.242 -3.391 105 H MET 21 H MET 21 0.352 -15.080 -5.474 106 HA MET 21 HA MET 21 1.432 -16.185 -2.921 107 1HB MET 21 2HB MET 21 3.665 -16.237 -4.066 108 2HB MET 21 1HB MET 21 2.517 -17.379 -4.722 109 1HG MET 21 2HG MET 21 2.047 -15.911 -6.607 110 2HG MET 21 1HG MET 21 3.070 -14.662 -5.967 111 1HE MET 21 3HE MET 21 5.708 -15.475 -5.275 112 2HE MET 21 2HE MET 21 5.460 -17.213 -5.097 113 3HE MET 21 1HE MET 21 6.588 -16.609 -6.298 114 H HIS 22 H HIS 22 2.091 -14.705 -1.544 115 HA HIS 22 HA HIS 22 1.904 -11.964 -2.243 116 1HB HIS 22 2HB HIS 22 1.610 -12.876 0.008 117 2HB HIS 22 1HB HIS 22 3.376 -13.162 0.064 118 HD1 HIS 22 HD1 HIS 22 2.989 -10.072 -1.605 119 HD2 HIS 22 HD2 HIS 22 2.695 -11.292 2.356 120 HE1 HIS 22 HE1 HIS 22 3.267 -8.112 -0.139 121 H ILE 23 H ILE 23 3.383 -10.934 -3.525 122 HA ILE 23 HA ILE 23 6.078 -12.039 -3.746 123 HB ILE 23 HB ILE 23 4.163 -11.407 -5.618 124 1HG1 ILE 23 2HG1 ILE 23 6.462 -10.999 -7.016 125 2HG1 ILE 23 1HG1 ILE 23 7.064 -11.878 -5.639 126 1HG2 ILE 23 1HG2 ILE 23 4.616 -8.925 -4.876 127 2HG2 ILE 23 3HG2 ILE 23 6.012 -9.032 -5.903 128 3HG2 ILE 23 2HG2 ILE 23 4.402 -9.260 -6.577 129 1HD1 ILE 23 2HD1 ILE 23 4.959 -13.477 -6.172 130 2HD1 ILE 23 1HD1 ILE 23 5.137 -12.802 -7.780 131 3HD1 ILE 23 3HD1 ILE 23 6.460 -13.679 -7.050 132 H GLU 24 H GLU 24 5.013 -10.332 -1.595 133 HA GLU 24 HA GLU 24 5.570 -7.715 -1.497 134 1HB GLU 24 2HB GLU 24 5.520 -9.680 0.552 135 2HB GLU 24 1HB GLU 24 7.188 -9.196 0.622 136 1HG GLU 24 2HG GLU 24 4.800 -7.329 1.018 137 2HG GLU 24 1HG GLU 24 5.975 -7.816 2.214 138 H SER 25 H SER 25 7.816 -10.146 -1.405 139 HA SER 25 HA SER 25 10.302 -9.372 -1.216 140 1HB SER 25 2HB SER 25 9.509 -10.895 -3.719 141 2HB SER 25 1HB SER 25 10.819 -11.303 -2.599 142 HG SER 25 HG SER 25 9.318 -12.454 -1.574 143 H LEU 26 H LEU 26 8.569 -8.887 -4.042 144 HA LEU 26 HA LEU 26 10.531 -6.901 -5.074 145 1HB LEU 26 2HB LEU 26 8.683 -7.440 -7.161 146 2HB LEU 26 1HB LEU 26 10.381 -7.851 -7.127 147 HG LEU 26 HG LEU 26 8.265 -9.471 -5.813 148 1HD1 LEU 26 2HD1 LEU 26 9.271 -9.603 -8.723 149 2HD1 LEU 26 1HD1 LEU 26 8.393 -10.933 -7.996 150 3HD1 LEU 26 3HD1 LEU 26 7.613 -9.375 -8.198 151 1HD2 LEU 26 2HD2 LEU 26 10.828 -9.868 -5.374 152 2HD2 LEU 26 1HD2 LEU 26 9.944 -11.293 -5.901 153 3HD2 LEU 26 3HD2 LEU 26 10.936 -10.400 -7.038 154 H ASP 27 H ASP 27 7.162 -7.558 -4.436 155 HA ASP 27 HA ASP 27 6.719 -4.654 -4.456 156 1HB ASP 27 2HB ASP 27 5.361 -6.567 -6.388 157 2HB ASP 27 1HB ASP 27 4.548 -5.088 -5.910 158 H SER 28 H SER 28 4.288 -7.140 -4.643 159 HA SER 28 HA SER 28 3.592 -6.816 -1.770 160 1HB SER 28 2HB SER 28 1.810 -5.440 -1.949 161 2HB SER 28 1HB SER 28 2.798 -4.777 -3.241 162 HG SER 28 HG SER 28 1.414 -5.560 -4.716 163 H TYR 29 H TYR 29 0.820 -7.464 -2.837 164 HA TYR 29 HA TYR 29 1.393 -10.421 -2.988 165 1HB TYR 29 2HB TYR 29 -0.340 -10.368 -1.360 166 2HB TYR 29 1HB TYR 29 -0.937 -8.815 -1.950 167 HD1 TYR 29 HD1 TYR 29 -0.549 -12.274 -3.406 168 HD2 TYR 29 HD2 TYR 29 -3.143 -8.945 -2.793 169 HE1 TYR 29 HE1 TYR 29 -2.274 -13.365 -4.694 170 HE2 TYR 29 HE2 TYR 29 -4.858 -10.072 -4.064 171 HH TYR 29 HH TYR 29 -4.321 -13.198 -5.661 172 H THR 30 H THR 30 0.965 -11.616 -4.623 173 HA THR 30 HA THR 30 -0.580 -10.482 -6.818 174 HB THR 30 HB THR 30 2.020 -9.887 -6.567 175 HG1 THR 30 HG1 THR 30 0.974 -9.065 -8.290 176 1HG2 THR 30 3HG2 THR 30 2.627 -12.434 -6.895 177 2HG2 THR 30 2HG2 THR 30 2.181 -12.190 -8.576 178 3HG2 THR 30 1HG2 THR 30 3.487 -11.254 -7.872 179 H CYS 31 H CYS 31 -0.184 -12.124 -8.747 180 HA CYS 31 HA CYS 31 -0.508 -14.850 -7.586 181 1HB CYS 31 2HB CYS 31 -2.473 -13.232 -9.032 182 2HB CYS 31 1HB CYS 31 -2.056 -14.612 -10.001 183 H ASN 32 H ASN 32 0.147 -16.475 -8.929 184 HA ASN 32 HA ASN 32 2.122 -15.743 -11.069 185 1HB ASN 32 2HB ASN 32 2.453 -17.356 -8.730 186 2HB ASN 32 1HB ASN 32 2.135 -18.541 -9.982 187 1HD2 ASN 32 2HD2 ASN 32 5.844 -17.683 -9.775 188 2HD2 ASN 32 1HD2 ASN 32 4.742 -18.027 -8.529 189 H CYS 33 H CYS 33 1.023 -16.191 -13.045 190 HA CYS 33 HA CYS 33 -1.403 -17.884 -12.876 191 1HB CYS 33 2HB CYS 33 -0.440 -16.001 -15.077 192 2HB CYS 33 1HB CYS 33 -1.924 -16.876 -15.032 193 H VAL 34 H VAL 34 -0.215 -17.765 -15.942 194 HA VAL 34 HA VAL 34 1.365 -20.212 -15.629 195 HB VAL 34 HB VAL 34 -0.945 -21.048 -15.809 196 1HG1 VAL 34 1HG1 VAL 34 -1.882 -19.047 -16.823 197 2HG1 VAL 34 3HG1 VAL 34 -1.262 -19.527 -18.393 198 3HG1 VAL 34 2HG1 VAL 34 -2.424 -20.535 -17.571 199 1HG2 VAL 34 2HG2 VAL 34 0.629 -22.448 -17.120 200 2HG2 VAL 34 1HG2 VAL 34 -0.983 -22.405 -17.818 201 3HG2 VAL 34 3HG2 VAL 34 0.277 -21.470 -18.549 202 H ILE 35 H ILE 35 2.291 -20.876 -17.505 203 HA ILE 35 HA ILE 35 3.799 -18.917 -18.817 204 HB ILE 35 HB ILE 35 4.536 -21.164 -18.974 205 1HG1 ILE 35 2HG1 ILE 35 3.380 -21.090 -21.748 206 2HG1 ILE 35 1HG1 ILE 35 4.360 -19.727 -21.274 207 1HG2 ILE 35 3HG2 ILE 35 1.749 -21.855 -19.981 208 2HG2 ILE 35 2HG2 ILE 35 3.084 -22.982 -20.088 209 3HG2 ILE 35 1HG2 ILE 35 2.540 -22.444 -18.521 210 1HD1 ILE 35 2HD1 ILE 35 5.373 -22.573 -20.899 211 2HD1 ILE 35 1HD1 ILE 35 5.684 -21.644 -22.355 212 3HD1 ILE 35 3HD1 ILE 35 6.293 -21.081 -20.811 213 H GLY 36 H GLY 36 0.618 -19.945 -19.414 214 1HA GLY 36 2HA GLY 36 0.418 -18.367 -21.905 215 2HA GLY 36 1HA GLY 36 -0.675 -19.616 -21.437 216 H TYR 37 H TYR 37 -0.338 -17.704 -18.795 217 HA TYR 37 HA TYR 37 -2.389 -15.673 -19.531 218 1HB TYR 37 2HB TYR 37 -2.564 -17.141 -16.893 219 2HB TYR 37 1HB TYR 37 -3.777 -16.157 -17.661 220 HD1 TYR 37 HD2 TYR 37 -3.750 -17.879 -20.410 221 HD2 TYR 37 HD1 TYR 37 -4.111 -18.876 -16.307 222 HE1 TYR 37 HE2 TYR 37 -4.984 -19.876 -21.010 223 HE2 TYR 37 HE1 TYR 37 -5.360 -20.891 -16.918 224 HH TYR 37 HH TYR 37 -5.296 -22.380 -19.441 225 H SER 38 H SER 38 -1.443 -13.788 -19.100 226 HA SER 38 HA SER 38 0.459 -13.849 -16.773 227 1HB SER 38 2HB SER 38 1.599 -14.070 -19.061 228 2HB SER 38 1HB SER 38 1.118 -12.397 -19.376 229 HG SER 38 HG SER 38 3.127 -13.278 -17.826 230 H GLY 39 H GLY 39 1.403 -11.225 -17.306 231 1HA GLY 39 2HA GLY 39 0.798 -8.923 -17.059 232 2HA GLY 39 1HA GLY 39 -0.881 -9.379 -16.801 233 H ASP 40 H ASP 40 -0.414 -11.345 -14.964 234 HA ASP 40 HA ASP 40 0.650 -11.734 -12.735 235 1HB ASP 40 2HB ASP 40 -0.014 -8.768 -12.503 236 2HB ASP 40 1HB ASP 40 0.196 -9.794 -11.107 237 H ARG 41 H ARG 41 -2.121 -11.129 -14.298 238 HA ARG 41 HA ARG 41 -3.804 -11.783 -11.958 239 1HB ARG 41 2HB ARG 41 -3.856 -9.370 -13.338 240 2HB ARG 41 1HB ARG 41 -5.094 -10.251 -14.206 241 1HG ARG 41 2HG ARG 41 -5.012 -10.249 -11.206 242 2HG ARG 41 1HG ARG 41 -5.708 -8.891 -12.049 243 1HD ARG 41 2HD ARG 41 -6.759 -11.246 -13.210 244 2HD ARG 41 1HD ARG 41 -6.874 -11.381 -11.466 245 HE ARG 41 HE ARG 41 -7.909 -8.974 -12.891 246 1HH1 ARG 41 2HH1 ARG 41 -8.640 -7.937 -10.936 247 2HH1 ARG 41 1HH1 ARG 41 -9.861 -8.811 -10.046 248 1HH2 ARG 41 1HH2 ARG 41 -9.119 -11.774 -11.776 249 2HH2 ARG 41 2HH2 ARG 41 -10.140 -11.073 -10.558 250 H CYS 42 H CYS 42 -2.925 -12.399 -15.148 251 HA CYS 42 HA CYS 42 -3.288 -14.131 -16.498 252 1HB CYS 42 2HB CYS 42 -5.612 -15.344 -15.052 253 2HB CYS 42 1HB CYS 42 -4.199 -16.116 -15.699 254 H GLN 43 H GLN 43 -4.419 -11.774 -16.487 255 HA GLN 43 HA GLN 43 -7.263 -11.799 -17.354 256 1HB GLN 43 2HB GLN 43 -6.702 -9.263 -17.781 257 2HB GLN 43 1HB GLN 43 -6.762 -9.777 -16.115 258 1HG GLN 43 2HG GLN 43 -4.647 -8.544 -16.248 259 2HG GLN 43 1HG GLN 43 -4.131 -10.147 -16.368 260 1HE2 GLN 43 2HE2 GLN 43 -2.453 -9.139 -19.102 261 2HE2 GLN 43 1HE2 GLN 43 -2.501 -9.951 -17.595 262 H THR 44 H THR 44 -4.142 -11.915 -18.521 263 HA THR 44 HA THR 44 -4.995 -11.629 -21.375 264 HB THR 44 HB THR 44 -3.243 -10.013 -20.843 265 HG1 THR 44 HG1 THR 44 -2.435 -10.675 -22.695 266 1HG2 THR 44 1HG2 THR 44 -2.378 -11.602 -18.876 267 2HG2 THR 44 3HG2 THR 44 -1.265 -12.127 -20.128 268 3HG2 THR 44 2HG2 THR 44 -1.296 -10.443 -19.633 269 H ARG 45 H ARG 45 -5.792 -13.720 -21.316 270 HA ARG 45 HA ARG 45 -4.046 -15.927 -20.518 271 1HB ARG 45 2HB ARG 45 -6.744 -15.811 -21.932 272 2HB ARG 45 1HB ARG 45 -5.993 -17.212 -21.253 273 1HG ARG 45 2HG ARG 45 -5.859 -15.809 -19.055 274 2HG ARG 45 1HG ARG 45 -7.071 -14.817 -19.841 275 1HD ARG 45 2HD ARG 45 -7.316 -17.646 -18.799 276 2HD ARG 45 1HD ARG 45 -8.500 -16.341 -18.823 277 HE ARG 45 HE ARG 45 -7.807 -17.862 -21.296 278 1HH1 ARG 45 1HH2 ARG 45 -9.408 -15.835 -22.080 279 2HH1 ARG 45 2HH2 ARG 45 -11.050 -16.271 -21.750 280 1HH2 ARG 45 2HH1 ARG 45 -9.974 -18.741 -19.460 281 2HH2 ARG 45 1HH1 ARG 45 -11.390 -18.034 -20.150 282 H ASP 46 H ASP 46 -2.375 -15.477 -21.813 283 HA ASP 46 HA ASP 46 -2.595 -14.810 -24.475 284 1HB ASP 46 2HB ASP 46 -0.410 -14.744 -23.233 285 2HB ASP 46 1HB ASP 46 -0.366 -16.505 -23.188 286 H LEU 47 H LEU 47 -2.908 -17.704 -22.893 287 HA LEU 47 HA LEU 47 -4.076 -19.650 -23.318 288 1HB LEU 47 2HB LEU 47 -3.635 -19.097 -26.326 289 2HB LEU 47 1HB LEU 47 -4.657 -20.348 -25.686 290 HG LEU 47 HG LEU 47 -5.111 -17.350 -25.292 291 1HD1 LEU 47 2HD1 LEU 47 -5.570 -18.134 -27.578 292 2HD1 LEU 47 1HD1 LEU 47 -6.651 -19.373 -26.947 293 3HD1 LEU 47 3HD1 LEU 47 -7.045 -17.668 -26.745 294 1HD2 LEU 47 3HD2 LEU 47 -6.367 -19.773 -24.021 295 2HD2 LEU 47 2HD2 LEU 47 -6.217 -18.134 -23.408 296 3HD2 LEU 47 1HD2 LEU 47 -7.471 -18.530 -24.563 297 H ARG 48 HN ARG 48 -2.000 -20.192 -22.357 298 HA ARG 48 HA ARG 48 -0.933 -22.525 -23.769 299 1HB ARG 48 2HB ARG 48 0.764 -20.083 -23.046 300 2HB ARG 48 1HB ARG 48 1.479 -21.659 -22.853 301 1HG ARG 48 2HG ARG 48 2.059 -21.467 -25.052 302 2HG ARG 48 1HG ARG 48 0.411 -21.956 -25.373 303 1HD ARG 48 2HD ARG 48 0.253 -19.148 -24.923 304 2HD ARG 48 1HD ARG 48 1.673 -19.366 -25.931 305 HE ARG 48 HE ARG 48 -1.043 -20.456 -26.603 306 1HH1 ARG 48 1HH2 ARG 48 1.387 -21.343 -28.054 307 2HH1 ARG 48 2HH2 ARG 48 1.394 -20.339 -29.464 308 1HH2 ARG 48 1HH1 ARG 48 -0.900 -18.120 -27.966 309 2HH2 ARG 48 2HH1 ARG 48 0.003 -18.382 -29.416 No H/Q in entry = 309 Start of MODEL 14 1 1H PRO 4 1H PRO 4 2.287 0.123 -1.154 2 2H PRO 4 2H PRO 4 1.279 1.457 -0.839 3 HA PRO 4 HA PRO 4 0.451 1.315 -2.875 4 1HB PRO 4 2HB PRO 4 2.897 1.360 -4.511 5 2HB PRO 4 1HB PRO 4 1.713 2.637 -4.272 6 1HG PRO 4 2HG PRO 4 4.316 2.541 -3.181 7 2HG PRO 4 1HG PRO 4 3.049 3.677 -2.722 8 1HD PRO 4 2HD PRO 4 4.081 1.341 -1.260 9 2HD PRO 4 1HD PRO 4 3.098 2.675 -0.656 10 H GLY 5 H GLY 5 0.717 -0.955 -1.616 11 1HA GLY 5 2HA GLY 5 1.420 -2.993 -3.687 12 2HA GLY 5 1HA GLY 5 1.601 -3.272 -1.941 13 1HN ABA 6 HN ABA 6 -0.104 -5.029 -3.384 14 HA ABA 6 HA ABA 6 -2.789 -4.073 -2.490 15 1HB ABA 6 1HB ABA 6 -3.041 -5.935 -4.685 16 2HB ABA 6 2HB ABA 6 -1.827 -4.771 -5.115 17 1HG ABA 6 1HG ABA 6 -4.604 -4.029 -4.092 18 2HG ABA 6 2HG ABA 6 -4.117 -4.024 -5.779 19 3HG ABA 6 3HG ABA 6 -3.368 -2.906 -4.646 20 HA PRO 7 HA PRO 7 -2.353 -8.507 -0.818 21 1HB PRO 7 2HB PRO 7 -2.040 -7.502 1.922 22 2HB PRO 7 1HB PRO 7 -1.045 -8.682 1.069 23 1HG PRO 7 2HG PRO 7 -0.121 -6.122 1.651 24 2HG PRO 7 1HG PRO 7 0.446 -7.050 0.275 25 1HD PRO 7 2HD PRO 7 -1.607 -4.805 0.285 26 2HD PRO 7 1HD PRO 7 -0.350 -5.167 -0.899 27 H SER 8 H SER 8 -3.392 -5.648 0.677 28 HA SER 8 HA SER 8 -5.361 -5.776 2.268 29 1HB SER 8 2HB SER 8 -5.937 -4.232 -0.255 30 2HB SER 8 1HB SER 8 -6.020 -3.691 1.434 31 HG SER 8 HG SER 8 -4.068 -2.991 0.982 32 H SER 9 H SER 9 -6.195 -6.344 -1.117 33 HA SER 9 HA SER 9 -8.573 -7.825 -0.230 34 1HB SER 9 2HB SER 9 -8.642 -6.146 -2.755 35 2HB SER 9 1HB SER 9 -9.973 -6.578 -1.680 36 HG SER 9 HG SER 9 -9.582 -4.800 -0.619 37 H TYR 10 H TYR 10 -8.352 -9.859 -0.906 38 HA TYR 10 HA TYR 10 -6.958 -10.343 -3.416 39 1HB TYR 10 2HB TYR 10 -6.598 -12.701 -2.289 40 2HB TYR 10 1HB TYR 10 -5.618 -11.348 -1.780 41 HD1 TYR 10 HD1 TYR 10 -6.208 -10.063 0.271 42 HD2 TYR 10 HD2 TYR 10 -8.097 -13.762 -0.656 43 HE1 TYR 10 HE1 TYR 10 -6.928 -10.257 2.585 44 HE2 TYR 10 HE2 TYR 10 -8.822 -13.958 1.682 45 HH TYR 10 HH TYR 10 -7.692 -11.752 4.133 46 H ASP 11 H ASP 11 -10.015 -10.271 -2.371 47 HA ASP 11 HA ASP 11 -11.009 -12.773 -3.351 48 1HB ASP 11 2HB ASP 11 -12.334 -11.115 -1.814 49 2HB ASP 11 1HB ASP 11 -12.611 -10.158 -3.263 50 H GLY 12 H GLY 12 -11.704 -13.222 -5.452 51 1HA GLY 12 2HA GLY 12 -11.424 -13.111 -7.827 52 2HA GLY 12 1HA GLY 12 -12.340 -11.618 -7.615 53 H TYR 13 H TYR 13 -9.149 -12.406 -6.493 54 HA TYR 13 HA TYR 13 -8.019 -9.985 -7.750 55 1HB TYR 13 2HB TYR 13 -7.651 -10.596 -5.358 56 2HB TYR 13 1HB TYR 13 -6.723 -12.017 -5.864 57 HD1 TYR 13 HD1 TYR 13 -4.599 -11.627 -7.234 58 HD2 TYR 13 HD2 TYR 13 -6.661 -8.434 -5.317 59 HE1 TYR 13 HE1 TYR 13 -2.621 -10.241 -7.436 60 HE2 TYR 13 HE2 TYR 13 -4.672 -7.048 -5.499 61 HH TYR 13 HH TYR 13 -1.700 -8.173 -5.991 62 H CYS 14 H CYS 14 -8.067 -13.315 -8.321 63 HA CYS 14 HA CYS 14 -5.836 -13.104 -10.311 64 1HB CYS 14 2HB CYS 14 -6.904 -15.610 -9.010 65 2HB CYS 14 1HB CYS 14 -5.467 -15.389 -9.981 66 H LEU 15 H LEU 15 -6.348 -14.128 -12.386 67 HA LEU 15 HA LEU 15 -9.295 -14.234 -12.887 68 1HB LEU 15 2HB LEU 15 -7.119 -12.935 -14.221 69 2HB LEU 15 1HB LEU 15 -7.695 -14.159 -15.302 70 HG LEU 15 HG LEU 15 -10.095 -12.947 -14.504 71 1HD1 LEU 15 2HD1 LEU 15 -7.891 -10.832 -14.672 72 2HD1 LEU 15 1HD1 LEU 15 -9.602 -10.468 -14.671 73 3HD1 LEU 15 3HD1 LEU 15 -8.852 -11.182 -13.267 74 1HD2 LEU 15 3HD2 LEU 15 -8.439 -13.106 -16.912 75 2HD2 LEU 15 2HD2 LEU 15 -10.163 -12.875 -16.793 76 3HD2 LEU 15 1HD2 LEU 15 -9.089 -11.490 -16.784 77 H ASN 16 H ASN 16 -6.419 -15.991 -13.458 78 HA ASN 16 HA ASN 16 -7.987 -18.393 -14.150 79 1HB ASN 16 2HB ASN 16 -5.901 -17.193 -15.952 80 2HB ASN 16 1HB ASN 16 -6.167 -18.934 -15.870 81 1HD2 ASN 16 2HD2 ASN 16 -9.291 -16.864 -17.289 82 2HD2 ASN 16 1HD2 ASN 16 -8.498 -16.233 -15.922 83 H GLY 17 H GLY 17 -4.473 -18.206 -14.577 84 1HA GLY 17 2HA GLY 17 -3.976 -20.782 -13.443 85 2HA GLY 17 1HA GLY 17 -2.749 -19.572 -13.748 86 H GLY 18 H GLY 18 -4.289 -17.682 -12.333 87 1HA GLY 18 2HA GLY 18 -3.609 -16.591 -10.315 88 2HA GLY 18 1HA GLY 18 -5.144 -17.373 -10.035 89 H VAL 19 H VAL 19 -1.662 -18.209 -9.672 90 HA VAL 19 HA VAL 19 -2.512 -19.644 -7.242 91 HB VAL 19 HB VAL 19 -0.181 -19.697 -9.169 92 1HG1 VAL 19 3HG1 VAL 19 0.296 -20.055 -6.204 93 2HG1 VAL 19 2HG1 VAL 19 1.310 -20.858 -7.400 94 3HG1 VAL 19 1HG1 VAL 19 1.225 -19.110 -7.346 95 1HG2 VAL 19 1HG2 VAL 19 -1.831 -21.471 -9.126 96 2HG2 VAL 19 3HG2 VAL 19 -0.238 -22.099 -8.747 97 3HG2 VAL 19 2HG2 VAL 19 -1.412 -21.854 -7.456 98 1HN ABA 20 HN ABA 20 -3.029 -18.175 -5.958 99 HA ABA 20 HA ABA 20 -1.851 -15.630 -5.593 100 1HB ABA 20 1HB ABA 20 -3.448 -17.390 -3.666 101 2HB ABA 20 2HB ABA 20 -4.069 -16.311 -4.858 102 1HG ABA 20 1HG ABA 20 -3.825 -14.550 -3.311 103 2HG ABA 20 2HG ABA 20 -2.124 -14.926 -3.064 104 3HG ABA 20 3HG ABA 20 -3.339 -15.731 -2.116 105 H MET 21 H MET 21 0.120 -15.235 -5.015 106 HA MET 21 HA MET 21 1.471 -16.737 -2.844 107 1HB MET 21 2HB MET 21 3.613 -16.663 -4.211 108 2HB MET 21 1HB MET 21 2.401 -17.640 -5.006 109 1HG MET 21 2HG MET 21 1.955 -16.027 -6.629 110 2HG MET 21 1HG MET 21 2.620 -14.708 -5.704 111 1HE MET 21 2HE MET 21 2.677 -15.478 -8.645 112 2HE MET 21 1HE MET 21 3.708 -14.081 -8.483 113 3HE MET 21 3HE MET 21 4.314 -15.527 -9.284 114 H HIS 22 H HIS 22 3.456 -15.159 -2.216 115 HA HIS 22 HA HIS 22 2.316 -12.397 -2.481 116 1HB HIS 22 2HB HIS 22 2.435 -13.444 -0.218 117 2HB HIS 22 1HB HIS 22 4.205 -13.426 -0.390 118 HD1 HIS 22 HD1 HIS 22 3.328 -10.380 -1.920 119 HD2 HIS 22 HD2 HIS 22 3.298 -11.741 2.016 120 HE1 HIS 22 HE1 HIS 22 3.395 -8.457 -0.418 121 H ILE 23 H ILE 23 3.590 -11.015 -3.701 122 HA ILE 23 HA ILE 23 6.236 -11.991 -4.350 123 HB ILE 23 HB ILE 23 4.123 -11.181 -5.937 124 1HG1 ILE 23 2HG1 ILE 23 6.042 -10.945 -7.659 125 2HG1 ILE 23 1HG1 ILE 23 7.077 -11.481 -6.360 126 1HG2 ILE 23 3HG2 ILE 23 4.789 -8.782 -5.120 127 2HG2 ILE 23 2HG2 ILE 23 6.123 -8.929 -6.223 128 3HG2 ILE 23 1HG2 ILE 23 4.471 -8.999 -6.829 129 1HD1 ILE 23 1HD1 ILE 23 4.707 -13.209 -6.564 130 2HD1 ILE 23 3HD1 ILE 23 5.527 -13.089 -8.105 131 3HD1 ILE 23 2HD1 ILE 23 6.392 -13.656 -6.697 132 H GLU 24 H GLU 24 5.155 -10.334 -2.099 133 HA GLU 24 HA GLU 24 5.601 -7.750 -1.721 134 1HB GLU 24 2HB GLU 24 5.868 -9.889 0.111 135 2HB GLU 24 1HB GLU 24 7.469 -9.199 0.172 136 1HG GLU 24 2HG GLU 24 4.879 -7.679 0.790 137 2HG GLU 24 1HG GLU 24 6.150 -8.108 1.902 138 H SER 25 H SER 25 8.146 -9.871 -1.755 139 HA SER 25 HA SER 25 10.490 -8.763 -1.594 140 1HB SER 25 2HB SER 25 9.759 -10.449 -4.006 141 2HB SER 25 1HB SER 25 11.202 -10.637 -2.989 142 HG SER 25 HG SER 25 9.956 -11.883 -1.741 143 H LEU 26 H LEU 26 8.694 -8.563 -4.419 144 HA LEU 26 HA LEU 26 10.417 -6.426 -5.564 145 1HB LEU 26 2HB LEU 26 8.494 -7.140 -7.535 146 2HB LEU 26 1HB LEU 26 10.213 -7.445 -7.584 147 HG LEU 26 HG LEU 26 8.305 -9.168 -6.097 148 1HD1 LEU 26 1HD1 LEU 26 9.098 -9.391 -9.048 149 2HD1 LEU 26 3HD1 LEU 26 8.279 -10.672 -8.181 150 3HD1 LEU 26 2HD1 LEU 26 7.483 -9.130 -8.419 151 1HD2 LEU 26 2HD2 LEU 26 10.869 -9.419 -5.773 152 2HD2 LEU 26 1HD2 LEU 26 10.066 -10.896 -6.287 153 3HD2 LEU 26 3HD2 LEU 26 10.959 -9.925 -7.445 154 H ASP 27 H ASP 27 7.152 -7.324 -4.773 155 HA ASP 27 HA ASP 27 6.468 -4.471 -4.716 156 1HB ASP 27 2HB ASP 27 5.214 -6.480 -6.605 157 2HB ASP 27 1HB ASP 27 4.277 -5.091 -6.091 158 H SER 28 H SER 28 4.216 -7.140 -4.808 159 HA SER 28 HA SER 28 3.652 -6.932 -1.903 160 1HB SER 28 2HB SER 28 1.666 -5.744 -1.969 161 2HB SER 28 1HB SER 28 2.602 -4.917 -3.211 162 HG SER 28 HG SER 28 1.619 -6.627 -4.662 163 H TYR 29 H TYR 29 0.890 -7.737 -2.837 164 HA TYR 29 HA TYR 29 1.512 -10.690 -3.102 165 1HB TYR 29 2HB TYR 29 -0.179 -10.643 -1.371 166 2HB TYR 29 1HB TYR 29 -0.780 -9.084 -1.914 167 HD1 TYR 29 HD2 TYR 29 -0.543 -12.506 -3.459 168 HD2 TYR 29 HD1 TYR 29 -3.093 -9.214 -2.610 169 HE1 TYR 29 HE2 TYR 29 -2.344 -13.590 -4.641 170 HE2 TYR 29 HE1 TYR 29 -4.896 -10.334 -3.765 171 HH TYR 29 HH TYR 29 -5.483 -12.846 -4.334 172 H THR 30 H THR 30 0.888 -11.892 -4.696 173 HA THR 30 HA THR 30 -0.735 -10.732 -6.787 174 HB THR 30 HB THR 30 1.930 -10.121 -6.651 175 HG1 THR 30 HG1 THR 30 0.809 -9.139 -8.219 176 1HG2 THR 30 3HG2 THR 30 2.528 -12.572 -7.173 177 2HG2 THR 30 2HG2 THR 30 1.781 -12.339 -8.750 178 3HG2 THR 30 1HG2 THR 30 3.172 -11.370 -8.286 179 H CYS 31 H CYS 31 -0.485 -12.399 -8.733 180 HA CYS 31 HA CYS 31 -0.775 -15.104 -7.458 181 1HB CYS 31 2HB CYS 31 -2.672 -13.526 -8.878 182 2HB CYS 31 1HB CYS 31 -2.221 -14.808 -9.966 183 H ASN 32 H ASN 32 -0.146 -16.864 -8.768 184 HA ASN 32 HA ASN 32 1.979 -16.161 -10.780 185 1HB ASN 32 2HB ASN 32 2.549 -17.639 -8.614 186 2HB ASN 32 1HB ASN 32 1.678 -18.905 -9.462 187 1HD2 ASN 32 2HD2 ASN 32 4.479 -19.599 -11.436 188 2HD2 ASN 32 1HD2 ASN 32 3.135 -20.205 -10.585 189 H CYS 33 H CYS 33 0.768 -16.008 -12.512 190 HA CYS 33 HA CYS 33 -1.397 -17.889 -13.024 191 1HB CYS 33 2HB CYS 33 -0.338 -15.628 -14.800 192 2HB CYS 33 1HB CYS 33 -1.836 -16.449 -14.883 193 H VAL 34 H VAL 34 -1.482 -19.034 -15.043 194 HA VAL 34 HA VAL 34 0.842 -20.582 -15.351 195 HB VAL 34 HB VAL 34 -1.513 -21.301 -15.901 196 1HG1 VAL 34 2HG1 VAL 34 -1.909 -19.112 -17.162 197 2HG1 VAL 34 1HG1 VAL 34 -1.477 -20.028 -18.591 198 3HG1 VAL 34 3HG1 VAL 34 -2.773 -20.592 -17.567 199 1HG2 VAL 34 2HG2 VAL 34 0.489 -22.549 -17.007 200 2HG2 VAL 34 1HG2 VAL 34 -1.118 -22.775 -17.681 201 3HG2 VAL 34 3HG2 VAL 34 0.000 -21.704 -18.483 202 H ILE 35 H ILE 35 1.901 -21.010 -17.195 203 HA ILE 35 HA ILE 35 3.478 -18.887 -18.177 204 HB ILE 35 HB ILE 35 4.335 -21.091 -18.300 205 1HG1 ILE 35 2HG1 ILE 35 3.593 -20.710 -21.214 206 2HG1 ILE 35 1HG1 ILE 35 4.624 -19.545 -20.424 207 1HG2 ILE 35 2HG2 ILE 35 1.742 -21.805 -19.707 208 2HG2 ILE 35 1HG2 ILE 35 3.140 -22.847 -19.845 209 3HG2 ILE 35 3HG2 ILE 35 2.451 -22.543 -18.274 210 1HD1 ILE 35 3HD1 ILE 35 5.997 -21.730 -19.646 211 2HD1 ILE 35 2HD1 ILE 35 5.215 -22.441 -21.047 212 3HD1 ILE 35 1HD1 ILE 35 6.253 -21.041 -21.237 213 H GLY 36 H GLY 36 0.444 -19.930 -19.097 214 1HA GLY 36 2HA GLY 36 0.459 -18.486 -21.678 215 2HA GLY 36 1HA GLY 36 -0.775 -19.614 -21.189 216 H TYR 37 H TYR 37 -0.349 -17.685 -18.625 217 HA TYR 37 HA TYR 37 -2.226 -15.490 -19.313 218 1HB TYR 37 2HB TYR 37 -2.400 -17.106 -16.770 219 2HB TYR 37 1HB TYR 37 -3.547 -15.939 -17.406 220 HD1 TYR 37 HD2 TYR 37 -3.688 -17.335 -20.298 221 HD2 TYR 37 HD1 TYR 37 -4.107 -18.751 -16.353 222 HE1 TYR 37 HE2 TYR 37 -5.126 -19.078 -21.107 223 HE2 TYR 37 HE1 TYR 37 -5.576 -20.536 -17.171 224 HH TYR 37 HH TYR 37 -7.158 -20.726 -19.224 225 H SER 38 H SER 38 -1.148 -13.645 -18.923 226 HA SER 38 HA SER 38 0.636 -13.757 -16.539 227 1HB SER 38 2HB SER 38 2.005 -14.110 -18.594 228 2HB SER 38 1HB SER 38 1.406 -12.598 -19.284 229 HG SER 38 HG SER 38 3.281 -12.987 -17.290 230 H GLY 39 H GLY 39 1.444 -10.993 -17.636 231 1HA GLY 39 2HA GLY 39 0.812 -8.757 -17.334 232 2HA GLY 39 1HA GLY 39 -0.867 -9.272 -17.307 233 H ASP 40 H ASP 40 0.337 -11.171 -15.041 234 HA ASP 40 HA ASP 40 1.040 -10.859 -12.731 235 1HB ASP 40 2HB ASP 40 1.164 -8.285 -13.123 236 2HB ASP 40 1HB ASP 40 -0.537 -8.277 -12.693 237 H ARG 41 H ARG 41 -1.950 -10.897 -14.245 238 HA ARG 41 HA ARG 41 -3.235 -11.870 -11.793 239 1HB ARG 41 2HB ARG 41 -3.645 -9.323 -12.705 240 2HB ARG 41 1HB ARG 41 -4.827 -10.142 -13.681 241 1HG ARG 41 2HG ARG 41 -4.714 -10.778 -10.798 242 2HG ARG 41 1HG ARG 41 -5.324 -9.208 -11.304 243 1HD ARG 41 2HD ARG 41 -6.486 -11.186 -12.971 244 2HD ARG 41 1HD ARG 41 -6.693 -11.654 -11.299 245 HE ARG 41 HE ARG 41 -7.544 -9.006 -12.344 246 1HH1 ARG 41 2HH1 ARG 41 -8.075 -8.186 -10.131 247 2HH1 ARG 41 1HH1 ARG 41 -9.370 -9.058 -9.350 248 1HH2 ARG 41 1HH2 ARG 41 -8.967 -11.780 -11.524 249 2HH2 ARG 41 2HH2 ARG 41 -9.899 -11.167 -10.198 250 H CYS 42 H CYS 42 -2.403 -12.491 -14.851 251 HA CYS 42 HA CYS 42 -2.921 -14.095 -16.293 252 1HB CYS 42 2HB CYS 42 -5.315 -15.295 -14.970 253 2HB CYS 42 1HB CYS 42 -3.842 -16.087 -15.426 254 H GLN 43 H GLN 43 -4.043 -11.616 -16.120 255 HA GLN 43 HA GLN 43 -6.861 -11.720 -16.970 256 1HB GLN 43 2HB GLN 43 -6.658 -9.273 -16.918 257 2HB GLN 43 1HB GLN 43 -6.006 -9.951 -15.421 258 1HG GLN 43 2HG GLN 43 -3.873 -9.785 -17.375 259 2HG GLN 43 1HG GLN 43 -4.727 -8.251 -17.304 260 1HE2 GLN 43 2HE2 GLN 43 -2.095 -9.075 -14.528 261 2HE2 GLN 43 1HE2 GLN 43 -2.262 -10.067 -15.923 262 H THR 44 H THR 44 -3.821 -11.765 -18.222 263 HA THR 44 HA THR 44 -4.750 -11.222 -21.013 264 HB THR 44 HB THR 44 -3.106 -9.663 -19.777 265 HG1 THR 44 HG1 THR 44 -2.769 -9.200 -21.841 266 1HG2 THR 44 1HG2 THR 44 -1.751 -11.513 -18.857 267 2HG2 THR 44 3HG2 THR 44 -1.022 -11.675 -20.453 268 3HG2 THR 44 2HG2 THR 44 -0.865 -10.161 -19.555 269 H ARG 45 H ARG 45 -5.439 -13.254 -21.209 270 HA ARG 45 HA ARG 45 -3.760 -15.491 -20.464 271 1HB ARG 45 2HB ARG 45 -6.445 -15.463 -21.913 272 2HB ARG 45 1HB ARG 45 -5.753 -16.737 -20.964 273 1HG ARG 45 2HG ARG 45 -5.636 -14.913 -19.051 274 2HG ARG 45 1HG ARG 45 -6.843 -14.110 -20.033 275 1HD ARG 45 2HD ARG 45 -7.120 -16.934 -18.947 276 2HD ARG 45 1HD ARG 45 -7.872 -15.476 -18.283 277 HE ARG 45 HE ARG 45 -8.971 -15.232 -20.578 278 1HH1 ARG 45 1HH2 ARG 45 -7.449 -17.727 -21.451 279 2HH1 ARG 45 2HH2 ARG 45 -8.716 -18.916 -21.464 280 1HH2 ARG 45 2HH1 ARG 45 -10.767 -16.768 -19.548 281 2HH2 ARG 45 1HH1 ARG 45 -10.732 -18.336 -20.272 282 H ASP 46 H ASP 46 -2.077 -15.287 -21.721 283 HA ASP 46 HA ASP 46 -2.187 -14.592 -24.433 284 1HB ASP 46 2HB ASP 46 -0.010 -14.695 -23.196 285 2HB ASP 46 1HB ASP 46 -0.187 -16.432 -22.982 286 H LEU 47 H LEU 47 -2.826 -17.450 -22.837 287 HA LEU 47 HA LEU 47 -3.964 -19.346 -23.328 288 1HB LEU 47 2HB LEU 47 -4.551 -17.669 -25.598 289 2HB LEU 47 1HB LEU 47 -4.137 -19.214 -26.274 290 HG LEU 47 HG LEU 47 -5.996 -20.300 -25.231 291 1HD1 LEU 47 3HD1 LEU 47 -5.956 -17.957 -23.295 292 2HD1 LEU 47 2HD1 LEU 47 -7.468 -18.800 -23.594 293 3HD1 LEU 47 1HD1 LEU 47 -6.105 -19.684 -22.944 294 1HD2 LEU 47 1HD2 LEU 47 -6.511 -18.591 -27.032 295 2HD2 LEU 47 3HD2 LEU 47 -7.863 -18.926 -25.961 296 3HD2 LEU 47 2HD2 LEU 47 -6.925 -17.453 -25.759 297 H ARG 48 HN ARG 48 -2.960 -21.193 -23.172 298 HA ARG 48 HA ARG 48 -0.939 -21.970 -25.177 299 1HB ARG 48 2HB ARG 48 -0.585 -21.566 -22.285 300 2HB ARG 48 1HB ARG 48 -0.290 -23.240 -22.673 301 1HG ARG 48 2HG ARG 48 1.823 -22.105 -22.891 302 2HG ARG 48 1HG ARG 48 1.284 -22.517 -24.501 303 1HD ARG 48 2HD ARG 48 0.427 -19.803 -23.534 304 2HD ARG 48 1HD ARG 48 2.147 -19.989 -23.816 305 HE ARG 48 HE ARG 48 0.006 -20.465 -25.856 306 1HH1 ARG 48 1HH1 ARG 48 3.035 -21.393 -25.645 307 2HH1 ARG 48 2HH1 ARG 48 3.730 -20.434 -26.900 308 1HH2 ARG 48 1HH2 ARG 48 0.749 -18.492 -27.051 309 2HH2 ARG 48 2HH2 ARG 48 2.302 -18.658 -27.799 No H/Q in entry = 309 Start of MODEL 15 1 1H PRO 4 1H PRO 4 1.894 -0.641 0.620 2 2H PRO 4 2H PRO 4 1.472 0.984 0.317 3 HA PRO 4 HA PRO 4 1.936 0.730 -1.821 4 1HB PRO 4 2HB PRO 4 4.514 -0.352 -2.074 5 2HB PRO 4 1HB PRO 4 4.171 1.368 -1.854 6 1HG PRO 4 2HG PRO 4 4.937 -0.708 0.204 7 2HG PRO 4 1HG PRO 4 5.441 0.984 0.107 8 1HD PRO 4 2HD PRO 4 3.528 0.214 1.861 9 2HD PRO 4 1HD PRO 4 3.425 1.777 1.041 10 H GLY 5 H GLY 5 0.739 -0.807 -2.809 11 1HA GLY 5 2HA GLY 5 1.196 -3.089 -3.947 12 2HA GLY 5 1HA GLY 5 1.419 -3.646 -2.290 13 1HN ABA 6 HN ABA 6 -0.240 -5.140 -3.285 14 HA ABA 6 HA ABA 6 -2.902 -4.084 -2.485 15 1HB ABA 6 1HB ABA 6 -2.765 -6.174 -4.621 16 2HB ABA 6 2HB ABA 6 -2.183 -4.598 -5.073 17 1HG ABA 6 1HG ABA 6 -4.967 -5.223 -3.969 18 2HG ABA 6 2HG ABA 6 -4.577 -4.704 -5.597 19 3HG ABA 6 3HG ABA 6 -4.376 -3.590 -4.258 20 HA PRO 7 HA PRO 7 -2.713 -8.308 -0.470 21 1HB PRO 7 2HB PRO 7 -1.366 -7.972 1.886 22 2HB PRO 7 1HB PRO 7 -0.609 -8.531 0.396 23 1HG PRO 7 2HG PRO 7 -0.382 -5.862 1.719 24 2HG PRO 7 1HG PRO 7 0.721 -6.619 0.588 25 1HD PRO 7 2HD PRO 7 -1.311 -4.608 -0.034 26 2HD PRO 7 1HD PRO 7 -0.205 -5.431 -1.151 27 H SER 8 H SER 8 -4.162 -5.844 -0.463 28 HA SER 8 HA SER 8 -5.366 -5.765 2.267 29 1HB SER 8 2HB SER 8 -4.736 -3.549 1.222 30 2HB SER 8 1HB SER 8 -5.874 -3.869 -0.096 31 HG SER 8 HG SER 8 -7.257 -4.367 2.051 32 H SER 9 H SER 9 -5.980 -6.854 -0.960 33 HA SER 9 HA SER 9 -8.446 -8.139 -0.087 34 1HB SER 9 2HB SER 9 -9.384 -5.944 -0.846 35 2HB SER 9 1HB SER 9 -8.463 -6.065 -2.358 36 HG SER 9 HG SER 9 -10.065 -7.229 -3.060 37 H TYR 10 H TYR 10 -8.329 -10.171 -1.037 38 HA TYR 10 HA TYR 10 -6.847 -10.399 -3.530 39 1HB TYR 10 2HB TYR 10 -6.270 -12.751 -2.561 40 2HB TYR 10 1HB TYR 10 -5.389 -11.386 -1.911 41 HD1 TYR 10 HD1 TYR 10 -8.104 -13.725 -1.305 42 HD2 TYR 10 HD2 TYR 10 -5.653 -10.713 0.437 43 HE1 TYR 10 HE1 TYR 10 -8.910 -14.371 0.926 44 HE2 TYR 10 HE2 TYR 10 -6.463 -11.364 2.668 45 HH TYR 10 HH TYR 10 -7.685 -14.049 3.476 46 H ASP 11 H ASP 11 -9.628 -10.018 -3.125 47 HA ASP 11 HA ASP 11 -10.809 -12.559 -3.914 48 1HB ASP 11 2HB ASP 11 -12.121 -11.395 -2.176 49 2HB ASP 11 1HB ASP 11 -12.051 -9.888 -3.087 50 H GLY 12 H GLY 12 -11.449 -12.788 -6.075 51 1HA GLY 12 2HA GLY 12 -11.515 -12.282 -8.395 52 2HA GLY 12 1HA GLY 12 -12.106 -10.692 -7.878 53 H TYR 13 H TYR 13 -9.150 -11.975 -6.804 54 HA TYR 13 HA TYR 13 -7.598 -9.784 -8.005 55 1HB TYR 13 2HB TYR 13 -7.576 -10.494 -5.581 56 2HB TYR 13 1HB TYR 13 -6.648 -11.924 -6.045 57 HD1 TYR 13 HD1 TYR 13 -4.478 -11.485 -7.433 58 HD2 TYR 13 HD2 TYR 13 -6.512 -8.465 -5.224 59 HE1 TYR 13 HE1 TYR 13 -2.475 -10.142 -7.454 60 HE2 TYR 13 HE2 TYR 13 -4.507 -7.126 -5.230 61 HH TYR 13 HH TYR 13 -1.567 -8.195 -5.714 62 H CYS 14 H CYS 14 -8.051 -13.109 -8.349 63 HA CYS 14 HA CYS 14 -5.831 -13.291 -10.340 64 1HB CYS 14 2HB CYS 14 -7.004 -15.575 -8.784 65 2HB CYS 14 1HB CYS 14 -5.526 -15.450 -9.684 66 H LEU 15 H LEU 15 -6.410 -14.355 -12.234 67 HA LEU 15 HA LEU 15 -9.331 -14.506 -12.787 68 1HB LEU 15 2HB LEU 15 -7.131 -13.203 -14.079 69 2HB LEU 15 1HB LEU 15 -7.689 -14.413 -15.164 70 HG LEU 15 HG LEU 15 -9.935 -12.785 -14.154 71 1HD1 LEU 15 1HD1 LEU 15 -7.409 -11.444 -15.145 72 2HD1 LEU 15 3HD1 LEU 15 -8.895 -10.865 -15.856 73 3HD1 LEU 15 2HD1 LEU 15 -8.660 -10.780 -14.135 74 1HD2 LEU 15 2HD2 LEU 15 -8.673 -13.343 -16.889 75 2HD2 LEU 15 1HD2 LEU 15 -10.019 -14.229 -16.187 76 3HD2 LEU 15 3HD2 LEU 15 -10.218 -12.553 -16.669 77 H ASN 16 H ASN 16 -6.428 -16.282 -13.348 78 HA ASN 16 HA ASN 16 -8.028 -18.697 -13.863 79 1HB ASN 16 2HB ASN 16 -6.069 -17.677 -15.951 80 2HB ASN 16 1HB ASN 16 -6.792 -19.282 -15.963 81 1HD2 ASN 16 2HD2 ASN 16 -8.994 -16.094 -17.033 82 2HD2 ASN 16 1HD2 ASN 16 -7.473 -15.833 -16.328 83 H GLY 17 H GLY 17 -4.541 -18.019 -14.419 84 1HA GLY 17 2HA GLY 17 -3.819 -20.626 -13.364 85 2HA GLY 17 1HA GLY 17 -2.684 -19.357 -13.819 86 H GLY 18 H GLY 18 -4.414 -17.566 -12.231 87 1HA GLY 18 2HA GLY 18 -3.487 -16.474 -10.253 88 2HA GLY 18 1HA GLY 18 -5.018 -17.258 -9.936 89 H VAL 19 H VAL 19 -1.519 -17.960 -9.576 90 HA VAL 19 HA VAL 19 -2.256 -19.503 -7.189 91 HB VAL 19 HB VAL 19 0.163 -19.208 -9.072 92 1HG1 VAL 19 1HG1 VAL 19 0.306 -20.189 -6.241 93 2HG1 VAL 19 3HG1 VAL 19 1.469 -20.709 -7.468 94 3HG1 VAL 19 2HG1 VAL 19 1.313 -19.008 -7.062 95 1HG2 VAL 19 1HG2 VAL 19 -1.605 -20.989 -9.417 96 2HG2 VAL 19 3HG2 VAL 19 0.042 -21.572 -9.361 97 3HG2 VAL 19 2HG2 VAL 19 -1.008 -21.775 -7.962 98 1HN ABA 20 HN ABA 20 -2.871 -18.025 -5.964 99 HA ABA 20 HA ABA 20 -1.827 -15.435 -5.588 100 1HB ABA 20 1HB ABA 20 -3.449 -17.305 -3.838 101 2HB ABA 20 2HB ABA 20 -4.005 -16.126 -4.976 102 1HG ABA 20 1HG ABA 20 -3.897 -14.513 -3.178 103 2HG ABA 20 2HG ABA 20 -2.201 -14.885 -2.919 104 3HG ABA 20 3HG ABA 20 -3.409 -15.825 -2.126 105 H MET 21 H MET 21 0.342 -15.427 -5.398 106 HA MET 21 HA MET 21 1.504 -16.657 -2.923 107 1HB MET 21 2HB MET 21 3.709 -16.572 -4.165 108 2HB MET 21 1HB MET 21 2.534 -17.589 -4.966 109 1HG MET 21 2HG MET 21 2.052 -15.863 -6.611 110 2HG MET 21 1HG MET 21 2.986 -14.687 -5.734 111 1HE MET 21 1HE MET 21 3.406 -18.273 -7.126 112 2HE MET 21 3HE MET 21 5.064 -18.259 -7.718 113 3HE MET 21 2HE MET 21 4.749 -18.174 -5.987 114 H HIS 22 H HIS 22 3.425 -15.207 -2.142 115 HA HIS 22 HA HIS 22 2.418 -12.398 -2.347 116 1HB HIS 22 2HB HIS 22 2.411 -13.507 -0.149 117 2HB HIS 22 1HB HIS 22 4.184 -13.609 -0.258 118 HD1 HIS 22 HD1 HIS 22 3.326 -10.415 -1.642 119 HD2 HIS 22 HD2 HIS 22 3.571 -12.021 2.192 120 HE1 HIS 22 HE1 HIS 22 3.555 -8.583 -0.023 121 H ILE 23 H ILE 23 3.664 -11.089 -3.547 122 HA ILE 23 HA ILE 23 6.353 -11.965 -4.121 123 HB ILE 23 HB ILE 23 4.229 -11.197 -5.735 124 1HG1 ILE 23 2HG1 ILE 23 6.233 -10.876 -7.407 125 2HG1 ILE 23 1HG1 ILE 23 7.157 -11.563 -6.096 126 1HG2 ILE 23 2HG2 ILE 23 4.804 -8.814 -4.876 127 2HG2 ILE 23 1HG2 ILE 23 6.139 -8.882 -5.986 128 3HG2 ILE 23 3HG2 ILE 23 4.486 -9.009 -6.582 129 1HD1 ILE 23 3HD1 ILE 23 5.160 -13.392 -6.115 130 2HD1 ILE 23 2HD1 ILE 23 4.988 -12.843 -7.771 131 3HD1 ILE 23 1HD1 ILE 23 6.496 -13.537 -7.236 132 H GLU 24 H GLU 24 5.312 -10.448 -1.787 133 HA GLU 24 HA GLU 24 5.748 -7.830 -1.456 134 1HB GLU 24 2HB GLU 24 5.975 -9.999 0.371 135 2HB GLU 24 1HB GLU 24 7.573 -9.313 0.453 136 1HG GLU 24 2HG GLU 24 5.217 -7.398 0.683 137 2HG GLU 24 1HG GLU 24 5.671 -8.358 2.071 138 H SER 25 H SER 25 8.203 -10.049 -1.607 139 HA SER 25 HA SER 25 10.601 -9.062 -1.451 140 1HB SER 25 2HB SER 25 9.835 -10.523 -4.001 141 2HB SER 25 1HB SER 25 11.210 -10.884 -2.942 142 HG SER 25 HG SER 25 9.841 -12.194 -1.950 143 H LEU 26 H LEU 26 8.726 -8.598 -4.182 144 HA LEU 26 HA LEU 26 10.457 -6.408 -5.209 145 1HB LEU 26 2HB LEU 26 8.546 -7.039 -7.224 146 2HB LEU 26 1HB LEU 26 10.270 -7.307 -7.287 147 HG LEU 26 HG LEU 26 8.390 -9.145 -5.893 148 1HD1 LEU 26 1HD1 LEU 26 9.198 -9.211 -8.853 149 2HD1 LEU 26 3HD1 LEU 26 8.374 -10.533 -8.049 150 3HD1 LEU 26 2HD1 LEU 26 7.573 -8.985 -8.228 151 1HD2 LEU 26 2HD2 LEU 26 10.990 -9.348 -5.629 152 2HD2 LEU 26 1HD2 LEU 26 10.220 -10.816 -6.210 153 3HD2 LEU 26 3HD2 LEU 26 11.056 -9.755 -7.326 154 H ASP 27 H ASP 27 7.204 -7.343 -4.447 155 HA ASP 27 HA ASP 27 6.508 -4.492 -4.298 156 1HB ASP 27 2HB ASP 27 5.247 -6.430 -6.268 157 2HB ASP 27 1HB ASP 27 4.315 -5.064 -5.684 158 H SER 28 H SER 28 4.281 -7.187 -4.495 159 HA SER 28 HA SER 28 3.727 -7.132 -1.582 160 1HB SER 28 2HB SER 28 1.787 -5.898 -1.547 161 2HB SER 28 1HB SER 28 2.753 -5.025 -2.726 162 HG SER 28 HG SER 28 1.711 -6.241 -4.375 163 H TYR 29 H TYR 29 0.934 -7.824 -2.563 164 HA TYR 29 HA TYR 29 1.552 -10.777 -2.927 165 1HB TYR 29 2HB TYR 29 -0.174 -10.787 -1.231 166 2HB TYR 29 1HB TYR 29 -0.773 -9.207 -1.722 167 HD1 TYR 29 HD2 TYR 29 -0.514 -12.620 -3.261 168 HD2 TYR 29 HD1 TYR 29 -2.984 -9.221 -2.597 169 HE1 TYR 29 HE2 TYR 29 -2.280 -13.647 -4.539 170 HE2 TYR 29 HE1 TYR 29 -4.764 -10.302 -3.861 171 HH TYR 29 HH TYR 29 -4.299 -13.333 -5.593 172 H THR 30 H THR 30 0.948 -11.951 -4.576 173 HA THR 30 HA THR 30 -0.619 -10.683 -6.676 174 HB THR 30 HB THR 30 1.999 -10.104 -6.503 175 HG1 THR 30 HG1 THR 30 0.917 -9.169 -8.122 176 1HG2 THR 30 3HG2 THR 30 2.644 -12.572 -6.966 177 2HG2 THR 30 2HG2 THR 30 1.987 -12.341 -8.584 178 3HG2 THR 30 1HG2 THR 30 3.345 -11.366 -8.040 179 H CYS 31 H CYS 31 -0.714 -12.204 -8.658 180 HA CYS 31 HA CYS 31 -0.845 -15.001 -7.573 181 1HB CYS 31 2HB CYS 31 -2.887 -13.353 -8.778 182 2HB CYS 31 1HB CYS 31 -2.541 -14.669 -9.856 183 H ASN 32 H ASN 32 0.300 -16.444 -8.614 184 HA ASN 32 HA ASN 32 1.873 -15.548 -10.963 185 1HB ASN 32 2HB ASN 32 3.187 -16.917 -9.355 186 2HB ASN 32 1HB ASN 32 1.965 -18.183 -9.356 187 1HD2 ASN 32 2HD2 ASN 32 4.026 -19.593 -11.950 188 2HD2 ASN 32 1HD2 ASN 32 3.600 -19.776 -10.306 189 H CYS 33 H CYS 33 0.906 -15.938 -12.860 190 HA CYS 33 HA CYS 33 -1.447 -17.694 -13.017 191 1HB CYS 33 2HB CYS 33 -0.317 -15.686 -15.017 192 2HB CYS 33 1HB CYS 33 -1.776 -16.605 -15.121 193 H VAL 34 H VAL 34 -0.080 -17.511 -16.005 194 HA VAL 34 HA VAL 34 1.560 -19.911 -15.647 195 HB VAL 34 HB VAL 34 -0.775 -20.773 -15.655 196 1HG1 VAL 34 3HG1 VAL 34 -1.628 -18.856 -17.058 197 2HG1 VAL 34 2HG1 VAL 34 -1.244 -19.855 -18.459 198 3HG1 VAL 34 1HG1 VAL 34 -2.332 -20.450 -17.231 199 1HG2 VAL 34 1HG2 VAL 34 0.961 -22.202 -16.803 200 2HG2 VAL 34 3HG2 VAL 34 -0.694 -22.463 -17.316 201 3HG2 VAL 34 2HG2 VAL 34 0.383 -21.555 -18.340 202 H ILE 35 H ILE 35 2.367 -20.756 -17.504 203 HA ILE 35 HA ILE 35 3.824 -18.920 -19.054 204 HB ILE 35 HB ILE 35 4.585 -21.142 -19.081 205 1HG1 ILE 35 2HG1 ILE 35 3.128 -21.208 -21.776 206 2HG1 ILE 35 1HG1 ILE 35 4.374 -20.018 -21.485 207 1HG2 ILE 35 1HG2 ILE 35 1.779 -22.047 -19.822 208 2HG2 ILE 35 3HG2 ILE 35 3.156 -23.118 -19.814 209 3HG2 ILE 35 2HG2 ILE 35 2.649 -22.390 -18.323 210 1HD1 ILE 35 3HD1 ILE 35 4.879 -23.003 -21.108 211 2HD1 ILE 35 2HD1 ILE 35 5.180 -22.154 -22.613 212 3HD1 ILE 35 1HD1 ILE 35 6.072 -21.715 -21.169 213 H GLY 36 H GLY 36 0.630 -19.990 -19.316 214 1HA GLY 36 2HA GLY 36 0.188 -18.737 -21.938 215 2HA GLY 36 1HA GLY 36 -0.941 -19.809 -21.158 216 H TYR 37 H TYR 37 -0.488 -17.933 -18.661 217 HA TYR 37 HA TYR 37 -2.167 -15.639 -19.543 218 1HB TYR 37 2HB TYR 37 -2.631 -16.863 -16.833 219 2HB TYR 37 1HB TYR 37 -3.748 -15.950 -17.810 220 HD1 TYR 37 HD1 TYR 37 -3.575 -17.776 -20.361 221 HD2 TYR 37 HD2 TYR 37 -4.052 -18.686 -16.244 222 HE1 TYR 37 HE1 TYR 37 -4.697 -19.825 -20.959 223 HE2 TYR 37 HE2 TYR 37 -5.185 -20.760 -16.856 224 HH TYR 37 HH TYR 37 -5.192 -22.350 -18.891 225 H SER 38 H SER 38 -1.365 -13.754 -18.988 226 HA SER 38 HA SER 38 0.608 -13.747 -16.732 227 1HB SER 38 2HB SER 38 1.744 -13.878 -18.991 228 2HB SER 38 1HB SER 38 1.068 -12.293 -19.394 229 HG SER 38 HG SER 38 3.128 -12.922 -17.712 230 H GLY 39 H GLY 39 1.299 -10.981 -17.373 231 1HA GLY 39 2HA GLY 39 0.503 -8.744 -17.074 232 2HA GLY 39 1HA GLY 39 -1.104 -9.359 -16.663 233 H ASP 40 H ASP 40 -0.641 -11.139 -14.991 234 HA ASP 40 HA ASP 40 0.582 -11.735 -12.849 235 1HB ASP 40 2HB ASP 40 0.301 -8.717 -12.558 236 2HB ASP 40 1HB ASP 40 0.089 -9.704 -11.147 237 H ARG 41 H ARG 41 -2.241 -11.007 -14.203 238 HA ARG 41 HA ARG 41 -3.842 -11.702 -11.807 239 1HB ARG 41 2HB ARG 41 -4.079 -9.350 -13.297 240 2HB ARG 41 1HB ARG 41 -5.281 -10.358 -14.088 241 1HG ARG 41 2HG ARG 41 -5.098 -10.097 -11.126 242 2HG ARG 41 1HG ARG 41 -6.040 -8.972 -12.046 243 1HD ARG 41 2HD ARG 41 -6.976 -11.301 -12.978 244 2HD ARG 41 1HD ARG 41 -6.407 -11.746 -11.398 245 HE ARG 41 HE ARG 41 -7.708 -9.676 -10.612 246 1HH1 ARG 41 2HH1 ARG 41 -9.230 -8.682 -12.483 247 2HH1 ARG 41 1HH1 ARG 41 -10.674 -9.628 -12.645 248 1HH2 ARG 41 1HH2 ARG 41 -9.106 -12.311 -10.971 249 2HH2 ARG 41 2HH2 ARG 41 -10.589 -11.864 -11.728 250 H CYS 42 H CYS 42 -3.102 -12.237 -15.050 251 HA CYS 42 HA CYS 42 -3.270 -14.051 -16.390 252 1HB CYS 42 2HB CYS 42 -5.650 -15.243 -14.964 253 2HB CYS 42 1HB CYS 42 -4.339 -16.055 -15.758 254 H GLN 43 H GLN 43 -4.402 -11.728 -16.416 255 HA GLN 43 HA GLN 43 -7.208 -11.785 -17.372 256 1HB GLN 43 2HB GLN 43 -6.670 -9.250 -17.798 257 2HB GLN 43 1HB GLN 43 -6.716 -9.733 -16.126 258 1HG GLN 43 2HG GLN 43 -4.609 -8.559 -16.169 259 2HG GLN 43 1HG GLN 43 -4.042 -10.115 -16.491 260 1HE2 GLN 43 2HE2 GLN 43 -2.494 -8.833 -19.196 261 2HE2 GLN 43 1HE2 GLN 43 -2.492 -9.806 -17.799 262 H THR 44 H THR 44 -4.032 -11.843 -18.457 263 HA THR 44 HA THR 44 -4.867 -11.589 -21.326 264 HB THR 44 HB THR 44 -3.107 -9.992 -20.811 265 HG1 THR 44 HG1 THR 44 -2.073 -10.649 -22.557 266 1HG2 THR 44 1HG2 THR 44 -2.296 -11.542 -18.766 267 2HG2 THR 44 3HG2 THR 44 -1.150 -12.070 -19.981 268 3HG2 THR 44 2HG2 THR 44 -1.222 -10.378 -19.517 269 H ARG 45 H ARG 45 -5.751 -13.652 -21.136 270 HA ARG 45 HA ARG 45 -4.066 -15.895 -20.358 271 1HB ARG 45 2HB ARG 45 -6.631 -16.216 -21.963 272 2HB ARG 45 1HB ARG 45 -6.031 -17.111 -20.605 273 1HG ARG 45 2HG ARG 45 -6.429 -14.939 -19.213 274 2HG ARG 45 1HG ARG 45 -7.483 -14.496 -20.555 275 1HD ARG 45 2HD ARG 45 -7.713 -17.038 -18.878 276 2HD ARG 45 1HD ARG 45 -8.768 -15.619 -18.809 277 HE ARG 45 HE ARG 45 -8.529 -17.149 -21.345 278 1HH1 ARG 45 2HH1 ARG 45 -10.413 -15.311 -21.817 279 2HH1 ARG 45 1HH1 ARG 45 -11.909 -15.854 -21.146 280 1HH2 ARG 45 1HH2 ARG 45 -10.244 -18.143 -19.044 281 2HH2 ARG 45 2HH2 ARG 45 -11.806 -17.560 -19.490 282 H ASP 46 H ASP 46 -2.397 -15.465 -21.634 283 HA ASP 46 HA ASP 46 -2.526 -14.757 -24.351 284 1HB ASP 46 2HB ASP 46 -0.379 -14.621 -23.092 285 2HB ASP 46 1HB ASP 46 -0.326 -16.375 -22.935 286 H LEU 47 H LEU 47 -2.897 -17.634 -22.650 287 HA LEU 47 HA LEU 47 -3.844 -19.687 -23.095 288 1HB LEU 47 2HB LEU 47 -4.473 -18.199 -25.482 289 2HB LEU 47 1HB LEU 47 -3.801 -19.686 -26.093 290 HG LEU 47 HG LEU 47 -5.906 -19.660 -23.873 291 1HD1 LEU 47 1HD1 LEU 47 -6.409 -19.478 -26.864 292 2HD1 LEU 47 3HD1 LEU 47 -7.638 -19.817 -25.649 293 3HD1 LEU 47 2HD1 LEU 47 -6.815 -18.272 -25.654 294 1HD2 LEU 47 3HD2 LEU 47 -4.759 -21.839 -24.439 295 2HD2 LEU 47 2HD2 LEU 47 -6.473 -21.876 -24.790 296 3HD2 LEU 47 1HD2 LEU 47 -5.327 -21.676 -26.098 297 H ARG 48 HN ARG 48 -2.849 -21.259 -25.554 298 HA ARG 48 HA ARG 48 -1.013 -22.699 -25.884 299 1HB ARG 48 2HB ARG 48 0.510 -20.076 -25.463 300 2HB ARG 48 1HB ARG 48 1.099 -21.458 -26.358 301 1HG ARG 48 2HG ARG 48 -0.089 -20.926 -28.242 302 2HG ARG 48 1HG ARG 48 -1.535 -20.485 -27.364 303 1HD ARG 48 2HD ARG 48 -0.568 -18.280 -26.793 304 2HD ARG 48 1HD ARG 48 0.935 -18.696 -27.588 305 HE ARG 48 HE ARG 48 -0.460 -18.959 -29.722 306 1HH1 ARG 48 1HH2 ARG 48 -2.422 -17.825 -27.280 307 2HH1 ARG 48 2HH2 ARG 48 -3.022 -16.467 -28.116 308 1HH2 ARG 48 1HH1 ARG 48 -0.699 -16.880 -30.747 309 2HH2 ARG 48 2HH1 ARG 48 -1.986 -15.879 -30.187 No H/Q in entry = 309 Start of MODEL 16 1 1H PRO 4 1H PRO 4 2.297 -0.433 -5.599 2 2H PRO 4 2H PRO 4 1.381 0.727 -6.445 3 HA PRO 4 HA PRO 4 0.405 -0.883 -7.609 4 1HB PRO 4 2HB PRO 4 2.413 -2.417 -8.841 5 2HB PRO 4 1HB PRO 4 1.811 -0.882 -9.467 6 1HG PRO 4 2HG PRO 4 4.289 -1.428 -7.843 7 2HG PRO 4 1HG PRO 4 4.062 -0.259 -9.140 8 1HD PRO 4 2HD PRO 4 4.067 0.495 -6.523 9 2HD PRO 4 1HD PRO 4 3.078 1.329 -7.725 10 H GLY 5 H GLY 5 0.190 -1.492 -5.171 11 1HA GLY 5 2HA GLY 5 0.839 -4.389 -4.944 12 2HA GLY 5 1HA GLY 5 1.103 -3.304 -3.567 13 1HN ABA 6 HN ABA 6 -0.766 -5.613 -3.896 14 HA ABA 6 HA ABA 6 -3.201 -4.115 -3.085 15 1HB ABA 6 1HB ABA 6 -4.034 -6.562 -4.418 16 2HB ABA 6 2HB ABA 6 -2.854 -5.771 -5.435 17 1HG ABA 6 1HG ABA 6 -4.492 -4.346 -6.160 18 2HG ABA 6 2HG ABA 6 -4.623 -3.674 -4.551 19 3HG ABA 6 3HG ABA 6 -5.640 -5.020 -5.020 20 HA PRO 7 HA PRO 7 -2.463 -8.192 -0.777 21 1HB PRO 7 2HB PRO 7 -0.726 -7.837 1.187 22 2HB PRO 7 1HB PRO 7 -0.135 -7.993 -0.442 23 1HG PRO 7 2HG PRO 7 -0.506 -5.412 1.092 24 2HG PRO 7 1HG PRO 7 0.833 -5.898 0.060 25 1HD PRO 7 2HD PRO 7 -1.303 -4.299 -0.853 26 2HD PRO 7 1HD PRO 7 -0.346 -5.338 -1.913 27 H SER 8 H SER 8 -4.055 -5.734 -0.278 28 HA SER 8 HA SER 8 -4.827 -6.077 2.578 29 1HB SER 8 2HB SER 8 -4.435 -3.721 1.729 30 2HB SER 8 1HB SER 8 -5.722 -3.961 0.546 31 HG SER 8 HG SER 8 -6.775 -4.739 2.828 32 H SER 9 H SER 9 -5.822 -6.796 -0.642 33 HA SER 9 HA SER 9 -8.115 -8.295 0.361 34 1HB SER 9 2HB SER 9 -9.166 -6.040 -0.001 35 2HB SER 9 1HB SER 9 -8.515 -6.018 -1.656 36 HG SER 9 HG SER 9 -10.242 -7.188 -2.134 37 H TYR 10 H TYR 10 -8.187 -10.141 -0.912 38 HA TYR 10 HA TYR 10 -6.894 -9.999 -3.516 39 1HB TYR 10 2HB TYR 10 -6.355 -12.526 -2.941 40 2HB TYR 10 1HB TYR 10 -5.361 -11.256 -2.278 41 HD1 TYR 10 HD1 TYR 10 -8.048 -13.614 -1.444 42 HD2 TYR 10 HD2 TYR 10 -5.277 -10.765 0.070 43 HE1 TYR 10 HE1 TYR 10 -8.501 -14.387 0.847 44 HE2 TYR 10 HE2 TYR 10 -5.722 -11.530 2.346 45 HH TYR 10 HH TYR 10 -6.948 -12.961 3.665 46 H ASP 11 H ASP 11 -9.754 -10.285 -2.147 47 HA ASP 11 HA ASP 11 -10.975 -12.563 -3.300 48 1HB ASP 11 2HB ASP 11 -13.034 -10.650 -3.436 49 2HB ASP 11 1HB ASP 11 -12.681 -11.613 -2.022 50 H GLY 12 H GLY 12 -11.218 -13.051 -5.382 51 1HA GLY 12 2HA GLY 12 -11.346 -12.823 -7.724 52 2HA GLY 12 1HA GLY 12 -12.084 -11.252 -7.428 53 H TYR 13 H TYR 13 -8.853 -12.236 -6.406 54 HA TYR 13 HA TYR 13 -7.742 -9.953 -7.971 55 1HB TYR 13 2HB TYR 13 -7.048 -10.215 -5.578 56 2HB TYR 13 1HB TYR 13 -6.437 -11.840 -5.875 57 HD1 TYR 13 HD2 TYR 13 -4.509 -12.090 -7.569 58 HD2 TYR 13 HD1 TYR 13 -5.619 -8.310 -5.948 59 HE1 TYR 13 HE2 TYR 13 -2.351 -11.175 -8.224 60 HE2 TYR 13 HE1 TYR 13 -3.441 -7.409 -6.608 61 HH TYR 13 HH TYR 13 -1.713 -8.320 -8.753 62 H CYS 14 H CYS 14 -7.968 -13.339 -8.307 63 HA CYS 14 HA CYS 14 -5.850 -13.273 -10.416 64 1HB CYS 14 2HB CYS 14 -6.895 -15.700 -8.923 65 2HB CYS 14 1HB CYS 14 -5.524 -15.558 -9.924 66 H LEU 15 H LEU 15 -6.416 -14.244 -12.423 67 HA LEU 15 HA LEU 15 -9.362 -14.404 -12.910 68 1HB LEU 15 2HB LEU 15 -7.243 -13.039 -14.272 69 2HB LEU 15 1HB LEU 15 -7.800 -14.286 -15.328 70 HG LEU 15 HG LEU 15 -10.220 -13.192 -14.595 71 1HD1 LEU 15 1HD1 LEU 15 -8.118 -10.951 -14.563 72 2HD1 LEU 15 3HD1 LEU 15 -9.843 -10.674 -14.613 73 3HD1 LEU 15 2HD1 LEU 15 -9.117 -11.452 -13.235 74 1HD2 LEU 15 2HD2 LEU 15 -8.485 -13.209 -16.926 75 2HD2 LEU 15 1HD2 LEU 15 -10.211 -12.958 -16.882 76 3HD2 LEU 15 3HD2 LEU 15 -9.127 -11.590 -16.753 77 H ASN 16 H ASN 16 -6.464 -16.118 -13.502 78 HA ASN 16 HA ASN 16 -8.044 -18.497 -14.255 79 1HB ASN 16 2HB ASN 16 -6.037 -17.166 -16.043 80 2HB ASN 16 1HB ASN 16 -6.184 -18.928 -16.049 81 1HD2 ASN 16 2HD2 ASN 16 -9.252 -16.800 -17.517 82 2HD2 ASN 16 1HD2 ASN 16 -8.209 -16.016 -16.428 83 H GLY 17 H GLY 17 -4.533 -18.278 -14.672 84 1HA GLY 17 2HA GLY 17 -4.202 -20.778 -13.160 85 2HA GLY 17 1HA GLY 17 -3.003 -20.011 -14.176 86 H GLY 18 H GLY 18 -4.518 -17.739 -12.461 87 1HA GLY 18 2HA GLY 18 -2.446 -16.651 -11.061 88 2HA GLY 18 1HA GLY 18 -4.113 -16.387 -10.722 89 H VAL 19 H VAL 19 -1.330 -18.024 -9.927 90 HA VAL 19 HA VAL 19 -2.564 -19.392 -7.626 91 HB VAL 19 HB VAL 19 -0.049 -19.640 -9.267 92 1HG1 VAL 19 3HG1 VAL 19 0.226 -19.853 -6.236 93 2HG1 VAL 19 2HG1 VAL 19 1.340 -20.639 -7.345 94 3HG1 VAL 19 1HG1 VAL 19 1.203 -18.899 -7.324 95 1HG2 VAL 19 3HG2 VAL 19 -1.762 -21.357 -9.170 96 2HG2 VAL 19 2HG2 VAL 19 -0.205 -21.990 -8.661 97 3HG2 VAL 19 1HG2 VAL 19 -1.439 -21.614 -7.456 98 1HN ABA 20 HN ABA 20 -3.050 -18.109 -6.159 99 HA ABA 20 HA ABA 20 -1.921 -15.556 -5.700 100 1HB ABA 20 1HB ABA 20 -3.464 -17.427 -3.841 101 2HB ABA 20 2HB ABA 20 -4.134 -16.284 -4.951 102 1HG ABA 20 1HG ABA 20 -3.426 -15.843 -2.177 103 2HG ABA 20 2HG ABA 20 -3.781 -14.552 -3.297 104 3HG ABA 20 3HG ABA 20 -2.122 -15.074 -3.013 105 H MET 21 H MET 21 0.071 -15.209 -5.198 106 HA MET 21 HA MET 21 1.418 -16.774 -3.067 107 1HB MET 21 2HB MET 21 3.534 -16.655 -4.421 108 2HB MET 21 1HB MET 21 2.312 -17.562 -5.292 109 1HG MET 21 2HG MET 21 1.805 -15.708 -6.712 110 2HG MET 21 1HG MET 21 2.802 -14.618 -5.793 111 1HE MET 21 3HE MET 21 5.516 -15.898 -5.391 112 2HE MET 21 2HE MET 21 5.088 -17.536 -5.908 113 3HE MET 21 1HE MET 21 6.296 -16.616 -6.796 114 H HIS 22 H HIS 22 3.296 -15.209 -2.265 115 HA HIS 22 HA HIS 22 2.192 -12.436 -2.488 116 1HB HIS 22 2HB HIS 22 2.206 -13.503 -0.236 117 2HB HIS 22 1HB HIS 22 3.978 -13.549 -0.343 118 HD1 HIS 22 HD1 HIS 22 3.201 -10.425 -1.842 119 HD2 HIS 22 HD2 HIS 22 3.134 -11.889 2.061 120 HE1 HIS 22 HE1 HIS 22 3.303 -8.546 -0.290 121 H ILE 23 H ILE 23 3.507 -11.028 -3.604 122 HA ILE 23 HA ILE 23 6.203 -11.964 -4.121 123 HB ILE 23 HB ILE 23 4.111 -11.068 -5.758 124 1HG1 ILE 23 2HG1 ILE 23 6.102 -10.997 -7.445 125 2HG1 ILE 23 1HG1 ILE 23 7.009 -11.660 -6.109 126 1HG2 ILE 23 2HG2 ILE 23 4.876 -8.737 -4.971 127 2HG2 ILE 23 1HG2 ILE 23 6.261 -8.965 -5.997 128 3HG2 ILE 23 3HG2 ILE 23 4.643 -8.949 -6.696 129 1HD1 ILE 23 3HD1 ILE 23 4.958 -13.370 -5.954 130 2HD1 ILE 23 2HD1 ILE 23 4.694 -12.888 -7.623 131 3HD1 ILE 23 1HD1 ILE 23 6.202 -13.628 -7.157 132 H GLU 24 H GLU 24 5.059 -10.349 -1.873 133 HA GLU 24 HA GLU 24 5.603 -7.774 -1.530 134 1HB GLU 24 2HB GLU 24 5.671 -9.918 0.336 135 2HB GLU 24 1HB GLU 24 7.272 -9.245 0.513 136 1HG GLU 24 2HG GLU 24 4.730 -7.534 0.707 137 2HG GLU 24 1HG GLU 24 5.602 -8.159 2.082 138 H SER 25 H SER 25 8.098 -9.998 -1.398 139 HA SER 25 HA SER 25 10.414 -8.813 -1.107 140 1HB SER 25 2HB SER 25 9.639 -10.672 -3.368 141 2HB SER 25 1HB SER 25 11.318 -10.472 -2.819 142 HG SER 25 HG SER 25 10.795 -11.612 -1.075 143 H LEU 26 H LEU 26 8.724 -8.588 -3.980 144 HA LEU 26 HA LEU 26 10.524 -6.479 -5.065 145 1HB LEU 26 2HB LEU 26 8.693 -7.225 -7.111 146 2HB LEU 26 1HB LEU 26 10.415 -7.500 -7.090 147 HG LEU 26 HG LEU 26 8.433 -9.220 -5.692 148 1HD1 LEU 26 2HD1 LEU 26 7.871 -9.198 -8.126 149 2HD1 LEU 26 1HD1 LEU 26 9.534 -9.587 -8.535 150 3HD1 LEU 26 3HD1 LEU 26 8.530 -10.765 -7.710 151 1HD2 LEU 26 2HD2 LEU 26 11.026 -9.384 -5.211 152 2HD2 LEU 26 1HD2 LEU 26 10.224 -10.899 -5.598 153 3HD2 LEU 26 3HD2 LEU 26 11.168 -10.059 -6.815 154 H ASP 27 H ASP 27 7.225 -7.385 -4.460 155 HA ASP 27 HA ASP 27 6.528 -4.534 -4.467 156 1HB ASP 27 2HB ASP 27 5.381 -6.563 -6.422 157 2HB ASP 27 1HB ASP 27 4.407 -5.183 -5.954 158 H SER 28 H SER 28 4.260 -7.175 -4.652 159 HA SER 28 HA SER 28 3.564 -6.911 -1.778 160 1HB SER 28 2HB SER 28 1.779 -5.490 -1.957 161 2HB SER 28 1HB SER 28 2.548 -4.982 -3.437 162 HG SER 28 HG SER 28 1.182 -6.924 -4.367 163 H TYR 29 H TYR 29 0.822 -7.752 -2.620 164 HA TYR 29 HA TYR 29 1.461 -10.698 -2.920 165 1HB TYR 29 2HB TYR 29 -0.307 -10.596 -1.256 166 2HB TYR 29 1HB TYR 29 -0.914 -9.066 -1.908 167 HD1 TYR 29 HD1 TYR 29 -0.505 -12.554 -3.096 168 HD2 TYR 29 HD2 TYR 29 -3.014 -9.126 -2.935 169 HE1 TYR 29 HE1 TYR 29 -2.158 -13.695 -4.437 170 HE2 TYR 29 HE2 TYR 29 -4.691 -10.313 -4.246 171 HH TYR 29 HH TYR 29 -4.017 -13.429 -5.703 172 H THR 30 H THR 30 0.730 -11.864 -4.605 173 HA THR 30 HA THR 30 -0.742 -10.563 -6.706 174 HB THR 30 HB THR 30 1.888 -9.945 -6.516 175 HG1 THR 30 HG1 THR 30 0.148 -9.353 -8.103 176 1HG2 THR 30 3HG2 THR 30 2.570 -12.375 -6.986 177 2HG2 THR 30 2HG2 THR 30 1.941 -12.147 -8.615 178 3HG2 THR 30 1HG2 THR 30 3.264 -11.150 -8.041 179 H CYS 31 H CYS 31 -0.407 -12.203 -8.798 180 HA CYS 31 HA CYS 31 -0.720 -14.934 -7.593 181 1HB CYS 31 2HB CYS 31 -2.679 -13.349 -8.943 182 2HB CYS 31 1HB CYS 31 -2.235 -14.619 -10.051 183 H ASN 32 H ASN 32 -0.050 -16.648 -8.877 184 HA ASN 32 HA ASN 32 2.029 -15.957 -10.939 185 1HB ASN 32 2HB ASN 32 2.646 -17.226 -8.755 186 2HB ASN 32 1HB ASN 32 1.766 -18.590 -9.413 187 1HD2 ASN 32 2HD2 ASN 32 4.608 -19.535 -11.237 188 2HD2 ASN 32 1HD2 ASN 32 3.303 -20.022 -10.255 189 H CYS 33 H CYS 33 0.483 -15.683 -12.486 190 HA CYS 33 HA CYS 33 -1.486 -17.541 -13.224 191 1HB CYS 33 2HB CYS 33 -0.033 -15.606 -15.102 192 2HB CYS 33 1HB CYS 33 -1.591 -16.305 -15.245 193 H VAL 34 H VAL 34 -1.547 -18.681 -15.330 194 HA VAL 34 HA VAL 34 0.642 -20.550 -15.282 195 HB VAL 34 HB VAL 34 -1.729 -21.149 -15.882 196 1HG1 VAL 34 1HG1 VAL 34 -1.942 -19.009 -17.371 197 2HG1 VAL 34 3HG1 VAL 34 -1.564 -20.139 -18.666 198 3HG1 VAL 34 2HG1 VAL 34 -2.916 -20.451 -17.613 199 1HG2 VAL 34 1HG2 VAL 34 0.148 -22.646 -16.758 200 2HG2 VAL 34 3HG2 VAL 34 -1.375 -22.725 -17.629 201 3HG2 VAL 34 2HG2 VAL 34 -0.047 -21.830 -18.312 202 H ILE 35 H ILE 35 1.753 -21.145 -17.087 203 HA ILE 35 HA ILE 35 3.497 -19.157 -18.086 204 HB ILE 35 HB ILE 35 4.265 -21.407 -18.152 205 1HG1 ILE 35 2HG1 ILE 35 3.588 -21.023 -21.105 206 2HG1 ILE 35 1HG1 ILE 35 4.751 -19.995 -20.295 207 1HG2 ILE 35 2HG2 ILE 35 1.690 -22.069 -19.635 208 2HG2 ILE 35 1HG2 ILE 35 3.020 -23.201 -19.506 209 3HG2 ILE 35 3HG2 ILE 35 2.210 -22.667 -18.059 210 1HD1 ILE 35 3HD1 ILE 35 5.841 -22.285 -19.525 211 2HD1 ILE 35 2HD1 ILE 35 4.952 -22.950 -20.883 212 3HD1 ILE 35 1HD1 ILE 35 6.138 -21.686 -21.141 213 H GLY 36 H GLY 36 0.454 -20.124 -19.070 214 1HA GLY 36 2HA GLY 36 0.591 -18.823 -21.700 215 2HA GLY 36 1HA GLY 36 -0.786 -19.707 -21.089 216 H TYR 37 H TYR 37 -0.713 -18.066 -18.503 217 HA TYR 37 HA TYR 37 -1.940 -15.552 -19.620 218 1HB TYR 37 2HB TYR 37 -2.551 -16.851 -16.968 219 2HB TYR 37 1HB TYR 37 -3.539 -15.704 -17.868 220 HD1 TYR 37 HD1 TYR 37 -3.083 -17.379 -20.619 221 HD2 TYR 37 HD2 TYR 37 -4.437 -18.379 -16.740 222 HE1 TYR 37 HE1 TYR 37 -4.360 -19.181 -21.553 223 HE2 TYR 37 HE2 TYR 37 -5.760 -20.221 -17.709 224 HH TYR 37 HH TYR 37 -6.634 -20.979 -19.746 225 H SER 38 H SER 38 -1.374 -13.637 -18.865 226 HA SER 38 HA SER 38 0.604 -13.642 -16.668 227 1HB SER 38 2HB SER 38 1.170 -12.532 -19.478 228 2HB SER 38 1HB SER 38 2.269 -12.366 -18.106 229 HG SER 38 HG SER 38 1.523 -14.940 -18.249 230 H GLY 39 H GLY 39 1.262 -10.831 -17.744 231 1HA GLY 39 2HA GLY 39 0.507 -8.659 -17.421 232 2HA GLY 39 1HA GLY 39 -1.139 -9.272 -17.344 233 H ASP 40 H ASP 40 0.056 -11.184 -15.145 234 HA ASP 40 HA ASP 40 0.841 -10.927 -12.843 235 1HB ASP 40 2HB ASP 40 1.040 -8.363 -13.200 236 2HB ASP 40 1HB ASP 40 -0.665 -8.287 -12.803 237 H ARG 41 H ARG 41 -2.106 -10.916 -14.382 238 HA ARG 41 HA ARG 41 -3.470 -11.879 -11.965 239 1HB ARG 41 2HB ARG 41 -3.904 -9.360 -13.015 240 2HB ARG 41 1HB ARG 41 -5.078 -10.275 -13.923 241 1HG ARG 41 2HG ARG 41 -4.846 -10.685 -11.012 242 2HG ARG 41 1HG ARG 41 -5.615 -9.225 -11.603 243 1HD ARG 41 2HD ARG 41 -6.625 -11.425 -13.082 244 2HD ARG 41 1HD ARG 41 -6.802 -11.749 -11.366 245 HE ARG 41 HE ARG 41 -7.839 -9.301 -12.694 246 1HH1 ARG 41 1HH2 ARG 41 -8.283 -8.227 -10.644 247 2HH1 ARG 41 2HH2 ARG 41 -9.523 -9.001 -9.685 248 1HH2 ARG 41 2HH1 ARG 41 -9.143 -12.011 -11.432 249 2HH2 ARG 41 1HH1 ARG 41 -10.013 -11.206 -10.170 250 H CYS 42 H CYS 42 -2.614 -12.453 -15.077 251 HA CYS 42 HA CYS 42 -3.101 -14.070 -16.498 252 1HB CYS 42 2HB CYS 42 -5.320 -15.351 -14.915 253 2HB CYS 42 1HB CYS 42 -3.892 -16.115 -15.568 254 H GLN 43 H GLN 43 -4.240 -11.688 -16.281 255 HA GLN 43 HA GLN 43 -7.098 -11.765 -16.987 256 1HB GLN 43 2HB GLN 43 -6.774 -9.286 -17.170 257 2HB GLN 43 1HB GLN 43 -6.279 -9.892 -15.586 258 1HG GLN 43 2HG GLN 43 -4.011 -10.063 -17.306 259 2HG GLN 43 1HG GLN 43 -4.769 -8.499 -17.589 260 1HE2 GLN 43 2HE2 GLN 43 -2.331 -8.899 -14.605 261 2HE2 GLN 43 1HE2 GLN 43 -2.421 -9.968 -15.945 262 H THR 44 H THR 44 -4.049 -11.782 -18.305 263 HA THR 44 HA THR 44 -5.078 -11.442 -21.083 264 HB THR 44 HB THR 44 -3.253 -9.816 -20.156 265 HG1 THR 44 HG1 THR 44 -1.931 -10.842 -22.224 266 1HG2 THR 44 1HG2 THR 44 -2.006 -11.629 -18.993 267 2HG2 THR 44 3HG2 THR 44 -1.389 -12.132 -20.563 268 3HG2 THR 44 2HG2 THR 44 -1.036 -10.503 -19.934 269 H ARG 45 H ARG 45 -5.447 -13.467 -21.657 270 HA ARG 45 HA ARG 45 -3.940 -15.636 -20.399 271 1HB ARG 45 2HB ARG 45 -6.488 -15.630 -22.064 272 2HB ARG 45 1HB ARG 45 -5.827 -16.947 -21.166 273 1HG ARG 45 2HG ARG 45 -6.062 -15.596 -19.065 274 2HG ARG 45 1HG ARG 45 -6.870 -14.360 -20.026 275 1HD ARG 45 2HD ARG 45 -7.897 -17.166 -19.404 276 2HD ARG 45 1HD ARG 45 -8.693 -15.609 -19.164 277 HE ARG 45 HE ARG 45 -8.103 -16.608 -21.917 278 1HH1 ARG 45 2HH1 ARG 45 -9.409 -14.127 -21.919 279 2HH1 ARG 45 1HH1 ARG 45 -11.107 -14.471 -21.915 280 1HH2 ARG 45 1HH2 ARG 45 -10.422 -17.759 -20.804 281 2HH2 ARG 45 2HH2 ARG 45 -11.736 -16.705 -21.234 282 H ASP 46 H ASP 46 -2.160 -15.633 -21.654 283 HA ASP 46 HA ASP 46 -2.507 -15.181 -24.495 284 1HB ASP 46 2HB ASP 46 -0.366 -14.429 -23.148 285 2HB ASP 46 1HB ASP 46 0.053 -16.126 -23.022 286 H LEU 47 H LEU 47 -4.068 -16.929 -24.295 287 HA LEU 47 HA LEU 47 -3.920 -19.508 -23.438 288 1HB LEU 47 2HB LEU 47 -5.393 -18.432 -25.865 289 2HB LEU 47 1HB LEU 47 -5.733 -19.970 -25.108 290 HG LEU 47 HG LEU 47 -5.656 -17.637 -23.207 291 1HD1 LEU 47 2HD1 LEU 47 -7.800 -17.923 -25.334 292 2HD1 LEU 47 1HD1 LEU 47 -8.086 -17.096 -23.811 293 3HD1 LEU 47 3HD1 LEU 47 -6.862 -16.498 -24.913 294 1HD2 LEU 47 3HD2 LEU 47 -6.200 -19.999 -22.532 295 2HD2 LEU 47 2HD2 LEU 47 -7.480 -18.865 -22.158 296 3HD2 LEU 47 1HD2 LEU 47 -7.628 -19.931 -23.550 297 H ARG 48 HN ARG 48 -1.636 -20.046 -24.014 298 HA ARG 48 HA ARG 48 -1.547 -21.508 -26.581 299 1HB ARG 48 2HB ARG 48 0.759 -20.310 -24.981 300 2HB ARG 48 1HB ARG 48 0.957 -21.231 -26.457 301 1HG ARG 48 2HG ARG 48 0.337 -19.469 -27.806 302 2HG ARG 48 1HG ARG 48 -0.977 -18.993 -26.749 303 1HD ARG 48 2HD ARG 48 0.799 -17.255 -26.825 304 2HD ARG 48 1HD ARG 48 0.602 -17.923 -25.207 305 HE ARG 48 HE ARG 48 2.639 -19.285 -25.599 306 1HH1 ARG 48 1HH1 ARG 48 3.298 -19.520 -28.156 307 2HH1 ARG 48 2HH1 ARG 48 4.298 -18.194 -28.624 308 1HH2 ARG 48 1HH2 ARG 48 3.148 -16.321 -25.823 309 2HH2 ARG 48 2HH2 ARG 48 4.207 -16.242 -27.195 No H/Q in entry = 309 Start of MODEL 17 1 1H PRO 4 1H PRO 4 0.503 -0.995 -0.613 2 2H PRO 4 2H PRO 4 0.821 0.654 -0.899 3 HA PRO 4 HA PRO 4 2.272 0.140 -2.475 4 1HB PRO 4 2HB PRO 4 4.109 -1.726 -1.417 5 2HB PRO 4 1HB PRO 4 4.260 0.026 -1.280 6 1HG PRO 4 2HG PRO 4 3.192 -1.971 0.700 7 2HG PRO 4 1HG PRO 4 4.090 -0.487 1.010 8 1HD PRO 4 2HD PRO 4 1.387 -0.637 1.389 9 2HD PRO 4 1HD PRO 4 2.162 0.857 0.849 10 H GLY 5 H GLY 5 0.790 -0.916 -3.797 11 1HA GLY 5 2HA GLY 5 0.698 -2.868 -5.302 12 2HA GLY 5 1HA GLY 5 1.103 -3.875 -3.927 13 1HN ABA 6 HN ABA 6 -0.644 -5.199 -4.105 14 HA ABA 6 HA ABA 6 -3.225 -3.890 -3.418 15 1HB ABA 6 1HB ABA 6 -3.792 -6.407 -4.746 16 2HB ABA 6 2HB ABA 6 -2.542 -5.624 -5.688 17 1HG ABA 6 1HG ABA 6 -4.050 -3.515 -5.657 18 2HG ABA 6 2HG ABA 6 -5.308 -4.556 -5.010 19 3HG ABA 6 3HG ABA 6 -4.639 -4.875 -6.599 20 HA PRO 7 HA PRO 7 -2.414 -7.871 -0.986 21 1HB PRO 7 2HB PRO 7 -0.766 -7.416 1.054 22 2HB PRO 7 1HB PRO 7 -0.094 -7.605 -0.548 23 1HG PRO 7 2HG PRO 7 -0.559 -4.995 0.926 24 2HG PRO 7 1HG PRO 7 0.787 -5.459 -0.104 25 1HD PRO 7 2HD PRO 7 -1.419 -3.925 -1.033 26 2HD PRO 7 1HD PRO 7 -0.352 -4.881 -2.057 27 H SER 8 H SER 8 -3.966 -5.303 -0.611 28 HA SER 8 HA SER 8 -4.914 -5.634 2.174 29 1HB SER 8 2HB SER 8 -4.304 -3.309 0.903 30 2HB SER 8 1HB SER 8 -5.953 -3.472 0.304 31 HG SER 8 HG SER 8 -6.307 -4.024 2.738 32 H SER 9 H SER 9 -5.715 -6.267 -1.149 33 HA SER 9 HA SER 9 -8.137 -7.653 -0.281 34 1HB SER 9 2HB SER 9 -9.428 -6.430 -2.147 35 2HB SER 9 1HB SER 9 -9.016 -5.392 -0.771 36 HG SER 9 HG SER 9 -7.228 -5.774 -2.930 37 H TYR 10 H TYR 10 -8.012 -9.629 -1.290 38 HA TYR 10 HA TYR 10 -6.625 -9.741 -3.853 39 1HB TYR 10 2HB TYR 10 -6.248 -12.227 -3.033 40 2HB TYR 10 1HB TYR 10 -5.263 -10.923 -2.408 41 HD1 TYR 10 HD1 TYR 10 -8.150 -13.110 -1.610 42 HD2 TYR 10 HD2 TYR 10 -5.330 -10.321 -0.066 43 HE1 TYR 10 HE1 TYR 10 -8.825 -13.685 0.675 44 HE2 TYR 10 HE2 TYR 10 -6.003 -10.899 2.212 45 HH TYR 10 HH TYR 10 -7.410 -12.168 3.524 46 H ASP 11 H ASP 11 -9.574 -10.018 -2.547 47 HA ASP 11 HA ASP 11 -10.761 -12.282 -3.728 48 1HB ASP 11 2HB ASP 11 -12.018 -9.542 -3.243 49 2HB ASP 11 1HB ASP 11 -12.906 -11.034 -3.457 50 H GLY 12 H GLY 12 -10.781 -12.777 -5.853 51 1HA GLY 12 2HA GLY 12 -11.192 -12.483 -8.175 52 2HA GLY 12 1HA GLY 12 -11.678 -10.816 -7.838 53 H TYR 13 H TYR 13 -8.620 -12.057 -6.696 54 HA TYR 13 HA TYR 13 -7.288 -10.107 -8.510 55 1HB TYR 13 2HB TYR 13 -6.774 -10.240 -6.028 56 2HB TYR 13 1HB TYR 13 -6.122 -11.856 -6.260 57 HD1 TYR 13 HD1 TYR 13 -4.140 -12.099 -7.880 58 HD2 TYR 13 HD2 TYR 13 -5.339 -8.338 -6.283 59 HE1 TYR 13 HE1 TYR 13 -1.933 -11.211 -8.327 60 HE2 TYR 13 HE2 TYR 13 -3.105 -7.449 -6.724 61 HH TYR 13 HH TYR 13 -0.721 -8.542 -6.946 62 H CYS 14 H CYS 14 -7.981 -13.402 -8.476 63 HA CYS 14 HA CYS 14 -5.912 -13.832 -10.582 64 1HB CYS 14 2HB CYS 14 -6.831 -15.987 -8.621 65 2HB CYS 14 1HB CYS 14 -5.553 -16.003 -9.691 66 H LEU 15 H LEU 15 -6.591 -14.819 -12.344 67 HA LEU 15 HA LEU 15 -9.513 -15.139 -12.773 68 1HB LEU 15 2HB LEU 15 -7.455 -13.833 -14.230 69 2HB LEU 15 1HB LEU 15 -7.795 -15.225 -15.171 70 HG LEU 15 HG LEU 15 -10.355 -14.089 -14.617 71 1HD1 LEU 15 3HD1 LEU 15 -8.192 -11.977 -14.857 72 2HD1 LEU 15 2HD1 LEU 15 -9.637 -11.709 -15.784 73 3HD1 LEU 15 1HD1 LEU 15 -9.751 -11.927 -14.069 74 1HD2 LEU 15 2HD2 LEU 15 -8.488 -14.219 -17.008 75 2HD2 LEU 15 1HD2 LEU 15 -10.043 -15.018 -16.770 76 3HD2 LEU 15 3HD2 LEU 15 -9.976 -13.316 -17.137 77 H ASN 16 H ASN 16 -6.662 -16.696 -13.920 78 HA ASN 16 HA ASN 16 -8.001 -19.324 -13.846 79 1HB ASN 16 2HB ASN 16 -6.287 -18.525 -16.201 80 2HB ASN 16 1HB ASN 16 -7.253 -19.975 -16.043 81 1HD2 ASN 16 2HD2 ASN 16 -9.008 -16.495 -17.082 82 2HD2 ASN 16 1HD2 ASN 16 -7.413 -16.455 -16.498 83 H GLY 17 H GLY 17 -4.593 -18.109 -14.449 84 1HA GLY 17 2HA GLY 17 -3.606 -20.708 -13.457 85 2HA GLY 17 1HA GLY 17 -2.696 -19.516 -14.328 86 H GLY 18 H GLY 18 -4.470 -17.733 -12.319 87 1HA GLY 18 2HA GLY 18 -2.392 -16.720 -10.850 88 2HA GLY 18 1HA GLY 18 -4.028 -16.540 -10.423 89 H VAL 19 H VAL 19 -1.185 -18.140 -10.019 90 HA VAL 19 HA VAL 19 -2.007 -19.811 -7.746 91 HB VAL 19 HB VAL 19 0.411 -19.516 -9.580 92 1HG1 VAL 19 1HG1 VAL 19 0.850 -20.015 -6.632 93 2HG1 VAL 19 3HG1 VAL 19 1.959 -20.672 -7.836 94 3HG1 VAL 19 2HG1 VAL 19 1.713 -18.947 -7.713 95 1HG2 VAL 19 1HG2 VAL 19 -1.339 -21.561 -9.109 96 2HG2 VAL 19 3HG2 VAL 19 0.227 -21.736 -9.873 97 3HG2 VAL 19 2HG2 VAL 19 0.044 -22.082 -8.159 98 1HN ABA 20 HN ABA 20 -2.617 -18.480 -6.330 99 HA ABA 20 HA ABA 20 -1.501 -15.862 -6.014 100 1HB ABA 20 1HB ABA 20 -3.240 -17.413 -4.064 101 2HB ABA 20 2HB ABA 20 -3.797 -16.541 -5.479 102 1HG ABA 20 1HG ABA 20 -3.889 -15.011 -3.521 103 2HG ABA 20 2HG ABA 20 -2.498 -14.502 -4.483 104 3HG ABA 20 3HG ABA 20 -2.261 -15.466 -3.038 105 H MET 21 H MET 21 0.248 -15.329 -5.184 106 HA MET 21 HA MET 21 1.375 -16.656 -2.795 107 1HB MET 21 2HB MET 21 3.668 -16.523 -3.881 108 2HB MET 21 1HB MET 21 2.615 -17.649 -4.711 109 1HG MET 21 2HG MET 21 2.104 -15.949 -6.417 110 2HG MET 21 1HG MET 21 3.185 -14.826 -5.628 111 1HE MET 21 2HE MET 21 5.686 -15.759 -4.993 112 2HE MET 21 1HE MET 21 5.519 -17.517 -5.062 113 3HE MET 21 3HE MET 21 6.628 -16.695 -6.152 114 H HIS 22 H HIS 22 3.149 -15.018 -1.961 115 HA HIS 22 HA HIS 22 2.067 -12.271 -2.437 116 1HB HIS 22 2HB HIS 22 1.755 -13.190 -0.201 117 2HB HIS 22 1HB HIS 22 3.506 -13.439 -0.058 118 HD1 HIS 22 HD1 HIS 22 3.168 -10.209 -1.594 119 HD2 HIS 22 HD2 HIS 22 2.647 -11.725 2.248 120 HE1 HIS 22 HE1 HIS 22 3.298 -8.380 -0.007 121 H ILE 23 H ILE 23 3.571 -10.852 -3.381 122 HA ILE 23 HA ILE 23 6.235 -11.962 -3.704 123 HB ILE 23 HB ILE 23 4.281 -10.929 -5.451 124 1HG1 ILE 23 2HG1 ILE 23 6.349 -11.091 -7.063 125 2HG1 ILE 23 1HG1 ILE 23 7.112 -11.862 -5.700 126 1HG2 ILE 23 3HG2 ILE 23 5.125 -8.677 -4.677 127 2HG2 ILE 23 2HG2 ILE 23 6.596 -8.995 -5.545 128 3HG2 ILE 23 1HG2 ILE 23 5.069 -8.909 -6.415 129 1HD1 ILE 23 1HD1 ILE 23 4.581 -13.116 -5.839 130 2HD1 ILE 23 3HD1 ILE 23 5.052 -12.917 -7.522 131 3HD1 ILE 23 2HD1 ILE 23 6.083 -13.792 -6.423 132 H GLU 24 H GLU 24 5.073 -10.302 -1.482 133 HA GLU 24 HA GLU 24 5.816 -7.724 -1.202 134 1HB GLU 24 2HB GLU 24 5.490 -9.804 0.730 135 2HB GLU 24 1HB GLU 24 7.098 -9.227 1.057 136 1HG GLU 24 2HG GLU 24 4.787 -7.229 0.760 137 2HG GLU 24 1HG GLU 24 5.170 -7.961 2.298 138 H SER 25 H SER 25 8.005 -10.231 -0.924 139 HA SER 25 HA SER 25 10.444 -9.281 -0.408 140 1HB SER 25 2HB SER 25 9.592 -11.137 -2.646 141 2HB SER 25 1HB SER 25 11.310 -10.911 -2.269 142 HG SER 25 HG SER 25 10.993 -12.066 -0.485 143 H LEU 26 H LEU 26 8.938 -8.887 -3.367 144 HA LEU 26 HA LEU 26 10.952 -6.911 -4.323 145 1HB LEU 26 2HB LEU 26 9.254 -7.428 -6.500 146 2HB LEU 26 1HB LEU 26 10.908 -7.961 -6.330 147 HG LEU 26 HG LEU 26 8.660 -9.441 -5.074 148 1HD1 LEU 26 1HD1 LEU 26 9.467 -9.522 -7.997 149 2HD1 LEU 26 3HD1 LEU 26 8.682 -10.904 -7.262 150 3HD1 LEU 26 2HD1 LEU 26 7.853 -9.360 -7.336 151 1HD2 LEU 26 2HD2 LEU 26 11.175 -10.026 -4.679 152 2HD2 LEU 26 1HD2 LEU 26 10.158 -11.371 -5.165 153 3HD2 LEU 26 3HD2 LEU 26 11.200 -10.586 -6.337 154 H ASP 27 H ASP 27 7.563 -7.553 -3.888 155 HA ASP 27 HA ASP 27 7.113 -4.656 -3.904 156 1HB ASP 27 2HB ASP 27 6.017 -6.510 -6.021 157 2HB ASP 27 1HB ASP 27 5.050 -5.124 -5.558 158 H SER 28 H SER 28 4.635 -7.030 -4.386 159 HA SER 28 HA SER 28 3.529 -6.637 -1.634 160 1HB SER 28 2HB SER 28 1.712 -5.436 -2.209 161 2HB SER 28 1HB SER 28 2.921 -4.753 -3.292 162 HG SER 28 HG SER 28 1.957 -5.694 -4.949 163 H TYR 29 H TYR 29 0.968 -7.468 -2.935 164 HA TYR 29 HA TYR 29 1.514 -10.451 -2.869 165 1HB TYR 29 2HB TYR 29 -0.095 -10.055 -1.215 166 2HB TYR 29 1HB TYR 29 -0.793 -8.682 -2.080 167 HD1 TYR 29 HD1 TYR 29 -2.100 -9.144 -4.198 168 HD2 TYR 29 HD2 TYR 29 -1.167 -12.165 -1.342 169 HE1 TYR 29 HE1 TYR 29 -3.838 -10.564 -5.085 170 HE2 TYR 29 HE2 TYR 29 -2.931 -13.556 -2.246 171 HH TYR 29 HH TYR 29 -4.141 -13.225 -5.176 172 H THR 30 H THR 30 0.758 -11.866 -4.377 173 HA THR 30 HA THR 30 -0.668 -10.804 -6.625 174 HB THR 30 HB THR 30 1.891 -10.149 -6.645 175 HG1 THR 30 HG1 THR 30 0.404 -9.682 -8.343 176 1HG2 THR 30 3HG2 THR 30 2.527 -12.715 -6.724 177 2HG2 THR 30 2HG2 THR 30 2.154 -12.561 -8.439 178 3HG2 THR 30 1HG2 THR 30 3.381 -11.540 -7.711 179 H CYS 31 H CYS 31 -0.213 -12.272 -8.676 180 HA CYS 31 HA CYS 31 -0.592 -15.104 -7.816 181 1HB CYS 31 2HB CYS 31 -2.625 -13.351 -8.868 182 2HB CYS 31 1HB CYS 31 -2.294 -14.560 -10.079 183 H ASN 32 H ASN 32 0.536 -16.381 -8.875 184 HA ASN 32 HA ASN 32 2.305 -15.537 -11.107 185 1HB ASN 32 2HB ASN 32 2.760 -17.027 -8.803 186 2HB ASN 32 1HB ASN 32 2.483 -18.306 -9.963 187 1HD2 ASN 32 2HD2 ASN 32 6.133 -17.331 -9.919 188 2HD2 ASN 32 1HD2 ASN 32 5.063 -17.711 -8.655 189 H CYS 33 H CYS 33 0.665 -15.472 -12.757 190 HA CYS 33 HA CYS 33 -1.045 -17.708 -13.198 191 1HB CYS 33 2HB CYS 33 -0.296 -15.512 -15.195 192 2HB CYS 33 1HB CYS 33 -1.727 -16.467 -15.101 193 H VAL 34 H VAL 34 -0.949 -18.467 -15.637 194 HA VAL 34 HA VAL 34 1.573 -19.937 -15.771 195 HB VAL 34 HB VAL 34 -0.684 -21.006 -15.858 196 1HG1 VAL 34 1HG1 VAL 34 -1.547 -19.075 -17.454 197 2HG1 VAL 34 3HG1 VAL 34 -1.159 -20.224 -18.713 198 3HG1 VAL 34 2HG1 VAL 34 -2.249 -20.682 -17.446 199 1HG2 VAL 34 3HG2 VAL 34 1.277 -22.149 -16.954 200 2HG2 VAL 34 2HG2 VAL 34 -0.329 -22.622 -17.498 201 3HG2 VAL 34 1HG2 VAL 34 0.632 -21.562 -18.500 202 H ILE 35 H ILE 35 2.397 -20.489 -17.760 203 HA ILE 35 HA ILE 35 3.492 -18.232 -19.115 204 HB ILE 35 HB ILE 35 4.675 -20.283 -19.192 205 1HG1 ILE 35 2HG1 ILE 35 3.440 -20.201 -21.949 206 2HG1 ILE 35 1HG1 ILE 35 4.471 -18.911 -21.380 207 1HG2 ILE 35 2HG2 ILE 35 2.053 -21.496 -20.075 208 2HG2 ILE 35 1HG2 ILE 35 3.549 -22.347 -20.413 209 3HG2 ILE 35 3HG2 ILE 35 3.114 -21.992 -18.760 210 1HD1 ILE 35 3HD1 ILE 35 6.063 -21.065 -20.735 211 2HD1 ILE 35 2HD1 ILE 35 5.265 -21.693 -22.163 212 3HD1 ILE 35 1HD1 ILE 35 6.193 -20.196 -22.245 213 H GLY 36 H GLY 36 0.568 -19.744 -19.355 214 1HA GLY 36 2HA GLY 36 -0.139 -18.705 -22.014 215 2HA GLY 36 1HA GLY 36 -1.118 -19.834 -21.095 216 H TYR 37 H TYR 37 -0.533 -17.743 -18.792 217 HA TYR 37 HA TYR 37 -2.514 -15.678 -19.543 218 1HB TYR 37 2HB TYR 37 -2.631 -16.892 -16.824 219 2HB TYR 37 1HB TYR 37 -3.903 -16.071 -17.689 220 HD1 TYR 37 HD2 TYR 37 -3.980 -17.971 -20.228 221 HD2 TYR 37 HD1 TYR 37 -3.721 -18.734 -16.072 222 HE1 TYR 37 HE2 TYR 37 -5.048 -20.098 -20.572 223 HE2 TYR 37 HE1 TYR 37 -4.826 -20.907 -16.414 224 HH TYR 37 HH TYR 37 -6.057 -21.901 -19.539 225 H SER 38 H SER 38 -1.805 -13.628 -18.945 226 HA SER 38 HA SER 38 0.341 -13.711 -16.817 227 1HB SER 38 2HB SER 38 1.092 -13.430 -19.355 228 2HB SER 38 1HB SER 38 0.642 -11.734 -19.103 229 HG SER 38 HG SER 38 2.737 -13.114 -18.093 230 H GLY 39 H GLY 39 1.062 -11.172 -16.835 231 1HA GLY 39 2HA GLY 39 0.737 -9.195 -15.649 232 2HA GLY 39 1HA GLY 39 -0.755 -9.079 -16.527 233 H ASP 40 H ASP 40 0.536 -10.768 -13.812 234 HA ASP 40 HA ASP 40 -0.220 -11.456 -11.757 235 1HB ASP 40 2HB ASP 40 -0.918 -8.537 -11.954 236 2HB ASP 40 1HB ASP 40 -1.191 -9.389 -10.451 237 H ARG 41 H ARG 41 -2.907 -10.714 -13.699 238 HA ARG 41 HA ARG 41 -4.656 -11.764 -11.535 239 1HB ARG 41 2HB ARG 41 -4.992 -9.432 -12.954 240 2HB ARG 41 1HB ARG 41 -5.934 -10.517 -13.953 241 1HG ARG 41 2HG ARG 41 -6.286 -10.287 -11.006 242 2HG ARG 41 1HG ARG 41 -7.228 -9.359 -12.140 243 1HD ARG 41 2HD ARG 41 -7.376 -12.019 -13.010 244 2HD ARG 41 1HD ARG 41 -7.570 -12.038 -11.276 245 HE ARG 41 HE ARG 41 -9.142 -10.110 -12.883 246 1HH1 ARG 41 2HH1 ARG 41 -9.289 -13.213 -11.610 247 2HH1 ARG 41 1HH1 ARG 41 -10.815 -13.033 -10.842 248 1HH2 ARG 41 1HH2 ARG 41 -10.852 -9.599 -11.640 249 2HH2 ARG 41 2HH2 ARG 41 -11.783 -10.833 -10.855 250 H CYS 42 H CYS 42 -3.468 -12.012 -14.678 251 HA CYS 42 HA CYS 42 -3.288 -13.733 -16.109 252 1HB CYS 42 2HB CYS 42 -5.490 -15.352 -14.826 253 2HB CYS 42 1HB CYS 42 -4.022 -15.888 -15.596 254 H GLN 43 H GLN 43 -4.701 -11.592 -16.332 255 HA GLN 43 HA GLN 43 -7.465 -12.079 -17.293 256 1HB GLN 43 2HB GLN 43 -7.087 -9.478 -17.873 257 2HB GLN 43 1HB GLN 43 -7.471 -10.004 -16.251 258 1HG GLN 43 2HG GLN 43 -5.515 -8.396 -16.320 259 2HG GLN 43 1HG GLN 43 -5.032 -9.923 -15.639 260 1HE2 GLN 43 2HE2 GLN 43 -2.329 -9.698 -17.716 261 2HE2 GLN 43 1HE2 GLN 43 -2.911 -9.872 -16.138 262 H THR 44 H THR 44 -4.466 -12.187 -18.516 263 HA THR 44 HA THR 44 -5.413 -11.849 -21.334 264 HB THR 44 HB THR 44 -3.808 -10.129 -21.014 265 HG1 THR 44 HG1 THR 44 -2.525 -10.750 -22.562 266 1HG2 THR 44 2HG2 THR 44 -2.928 -11.363 -18.748 267 2HG2 THR 44 1HG2 THR 44 -1.605 -11.699 -19.845 268 3HG2 THR 44 3HG2 THR 44 -2.129 -10.036 -19.555 269 H ARG 45 H ARG 45 -6.044 -14.011 -21.467 270 HA ARG 45 HA ARG 45 -4.213 -16.076 -20.579 271 1HB ARG 45 2HB ARG 45 -6.768 -16.303 -22.286 272 2HB ARG 45 1HB ARG 45 -6.001 -17.524 -21.338 273 1HG ARG 45 2HG ARG 45 -6.340 -15.918 -19.305 274 2HG ARG 45 1HG ARG 45 -7.468 -15.088 -20.347 275 1HD ARG 45 2HD ARG 45 -7.735 -17.793 -19.020 276 2HD ARG 45 1HD ARG 45 -8.961 -16.581 -19.276 277 HE ARG 45 HE ARG 45 -7.928 -18.276 -21.543 278 1HH1 ARG 45 1HH2 ARG 45 -10.081 -15.954 -20.986 279 2HH1 ARG 45 2HH2 ARG 45 -11.515 -16.791 -21.475 280 1HH2 ARG 45 2HH1 ARG 45 -9.726 -19.830 -21.611 281 2HH2 ARG 45 1HH1 ARG 45 -11.296 -19.146 -21.881 282 H ASP 46 H ASP 46 -2.527 -15.391 -21.700 283 HA ASP 46 HA ASP 46 -2.543 -14.588 -24.337 284 1HB ASP 46 2HB ASP 46 -0.645 -14.526 -22.480 285 2HB ASP 46 1HB ASP 46 -0.097 -16.023 -23.219 286 H LEU 47 H LEU 47 -3.007 -17.484 -22.960 287 HA LEU 47 HA LEU 47 -3.404 -19.628 -23.419 288 1HB LEU 47 2HB LEU 47 -4.364 -18.094 -25.641 289 2HB LEU 47 1HB LEU 47 -3.661 -19.525 -26.356 290 HG LEU 47 HG LEU 47 -5.592 -19.738 -23.995 291 1HD1 LEU 47 1HD1 LEU 47 -6.263 -19.603 -26.965 292 2HD1 LEU 47 3HD1 LEU 47 -7.377 -20.190 -25.737 293 3HD1 LEU 47 2HD1 LEU 47 -6.831 -18.525 -25.701 294 1HD2 LEU 47 2HD2 LEU 47 -4.132 -21.741 -24.761 295 2HD2 LEU 47 1HD2 LEU 47 -5.861 -22.031 -24.744 296 3HD2 LEU 47 3HD2 LEU 47 -5.034 -21.717 -26.259 297 H ARG 48 HN ARG 48 -0.522 -18.611 -24.043 298 HA ARG 48 HA ARG 48 0.355 -20.965 -25.606 299 1HB ARG 48 2HB ARG 48 2.523 -19.645 -25.861 300 2HB ARG 48 1HB ARG 48 1.110 -18.899 -26.573 301 1HG ARG 48 2HG ARG 48 0.971 -17.237 -24.989 302 2HG ARG 48 1HG ARG 48 1.695 -18.189 -23.705 303 1HD ARG 48 2HD ARG 48 3.404 -17.395 -26.074 304 2HD ARG 48 1HD ARG 48 3.096 -16.248 -24.779 305 HE ARG 48 HE ARG 48 4.044 -17.916 -23.183 306 1HH1 ARG 48 1HH2 ARG 48 4.403 -20.369 -24.064 307 2HH1 ARG 48 2HH2 ARG 48 5.871 -20.463 -24.960 308 1HH2 ARG 48 1HH1 ARG 48 5.915 -16.945 -25.365 309 2HH2 ARG 48 2HH1 ARG 48 6.805 -18.369 -25.770 No H/Q in entry = 309 Start of MODEL 18 1 1H PRO 4 1H PRO 4 1.755 -0.433 0.904 2 2H PRO 4 2H PRO 4 1.042 1.118 0.912 3 HA PRO 4 HA PRO 4 0.932 1.050 -1.289 4 1HB PRO 4 2HB PRO 4 3.730 0.339 -1.932 5 2HB PRO 4 1HB PRO 4 2.914 1.876 -2.221 6 1HG PRO 4 2HG PRO 4 4.846 1.447 -0.270 7 2HG PRO 4 1HG PRO 4 3.703 2.786 -0.267 8 1HD PRO 4 2HD PRO 4 3.736 0.337 1.409 9 2HD PRO 4 1HD PRO 4 2.948 1.886 1.719 10 H GLY 5 H GLY 5 0.486 -0.518 -2.916 11 1HA GLY 5 2HA GLY 5 1.143 -2.731 -3.896 12 2HA GLY 5 1HA GLY 5 1.311 -3.304 -2.235 13 1HN ABA 6 HN ABA 6 -0.261 -4.962 -3.222 14 HA ABA 6 HA ABA 6 -3.016 -4.041 -2.608 15 1HB ABA 6 1HB ABA 6 -2.700 -5.975 -4.878 16 2HB ABA 6 2HB ABA 6 -2.155 -4.348 -5.192 17 1HG ABA 6 1HG ABA 6 -4.408 -3.491 -4.394 18 2HG ABA 6 2HG ABA 6 -4.940 -5.161 -4.256 19 3HG ABA 6 3HG ABA 6 -4.502 -4.501 -5.825 20 HA PRO 7 HA PRO 7 -2.403 -8.394 -0.799 21 1HB PRO 7 2HB PRO 7 -2.074 -7.304 1.914 22 2HB PRO 7 1HB PRO 7 -1.020 -8.427 1.063 23 1HG PRO 7 2HG PRO 7 -0.300 -5.787 1.597 24 2HG PRO 7 1HG PRO 7 0.368 -6.726 0.274 25 1HD PRO 7 2HD PRO 7 -1.822 -4.620 0.146 26 2HD PRO 7 1HD PRO 7 -0.519 -4.987 -0.993 27 H SER 8 H SER 8 -3.576 -5.492 0.488 28 HA SER 8 HA SER 8 -5.540 -5.608 2.117 29 1HB SER 8 2HB SER 8 -6.169 -4.288 -0.537 30 2HB SER 8 1HB SER 8 -6.314 -3.628 1.106 31 HG SER 8 HG SER 8 -4.370 -2.896 0.752 32 H SER 9 H SER 9 -6.276 -6.684 -1.201 33 HA SER 9 HA SER 9 -8.470 -8.298 -0.113 34 1HB SER 9 2HB SER 9 -9.692 -6.327 -0.972 35 2HB SER 9 1HB SER 9 -8.715 -6.310 -2.452 36 HG SER 9 HG SER 9 -10.098 -7.696 -3.219 37 H TYR 10 H TYR 10 -8.260 -10.290 -0.936 38 HA TYR 10 HA TYR 10 -6.797 -10.672 -3.423 39 1HB TYR 10 2HB TYR 10 -6.150 -12.920 -2.279 40 2HB TYR 10 1HB TYR 10 -5.304 -11.505 -1.713 41 HD1 TYR 10 HD1 TYR 10 -5.852 -10.455 0.456 42 HD2 TYR 10 HD2 TYR 10 -7.832 -14.015 -0.805 43 HE1 TYR 10 HE1 TYR 10 -6.667 -10.812 2.736 44 HE2 TYR 10 HE2 TYR 10 -8.639 -14.363 1.481 45 HH TYR 10 HH TYR 10 -7.665 -13.544 3.923 46 H ASP 11 H ASP 11 -9.481 -10.182 -3.003 47 HA ASP 11 HA ASP 11 -10.872 -12.698 -3.413 48 1HB ASP 11 2HB ASP 11 -11.583 -10.069 -2.246 49 2HB ASP 11 1HB ASP 11 -12.737 -10.513 -3.481 50 H GLY 12 H GLY 12 -11.541 -13.183 -5.470 51 1HA GLY 12 2HA GLY 12 -11.405 -13.058 -7.857 52 2HA GLY 12 1HA GLY 12 -12.345 -11.584 -7.589 53 H TYR 13 H TYR 13 -9.155 -12.307 -6.556 54 HA TYR 13 HA TYR 13 -8.028 -9.893 -7.815 55 1HB TYR 13 2HB TYR 13 -7.685 -10.466 -5.389 56 2HB TYR 13 1HB TYR 13 -6.757 -11.893 -5.866 57 HD1 TYR 13 HD2 TYR 13 -4.686 -11.498 -7.379 58 HD2 TYR 13 HD1 TYR 13 -6.613 -8.370 -5.224 59 HE1 TYR 13 HE2 TYR 13 -2.685 -10.148 -7.573 60 HE2 TYR 13 HE1 TYR 13 -4.594 -7.024 -5.409 61 HH TYR 13 HH TYR 13 -1.690 -8.131 -6.046 62 H CYS 14 H CYS 14 -8.003 -13.267 -8.281 63 HA CYS 14 HA CYS 14 -5.803 -13.038 -10.301 64 1HB CYS 14 2HB CYS 14 -6.793 -15.547 -8.912 65 2HB CYS 14 1HB CYS 14 -5.369 -15.317 -9.887 66 H LEU 15 H LEU 15 -6.321 -14.127 -12.340 67 HA LEU 15 HA LEU 15 -9.267 -14.270 -12.834 68 1HB LEU 15 2HB LEU 15 -7.130 -12.947 -14.196 69 2HB LEU 15 1HB LEU 15 -7.641 -14.218 -15.248 70 HG LEU 15 HG LEU 15 -10.097 -13.091 -14.578 71 1HD1 LEU 15 3HD1 LEU 15 -7.976 -10.879 -14.586 72 2HD1 LEU 15 2HD1 LEU 15 -9.689 -10.578 -14.729 73 3HD1 LEU 15 1HD1 LEU 15 -9.038 -11.267 -13.263 74 1HD2 LEU 15 2HD2 LEU 15 -8.395 -13.232 -16.909 75 2HD2 LEU 15 1HD2 LEU 15 -10.097 -12.849 -16.871 76 3HD2 LEU 15 3HD2 LEU 15 -8.909 -11.569 -16.781 77 H ASN 16 H ASN 16 -6.368 -15.990 -13.425 78 HA ASN 16 HA ASN 16 -7.901 -18.441 -14.015 79 1HB ASN 16 2HB ASN 16 -5.929 -17.202 -15.933 80 2HB ASN 16 1HB ASN 16 -6.138 -18.951 -15.819 81 1HD2 ASN 16 2HD2 ASN 16 -9.311 -16.880 -17.180 82 2HD2 ASN 16 1HD2 ASN 16 -8.281 -16.086 -16.086 83 H GLY 17 H GLY 17 -4.408 -18.233 -14.591 84 1HA GLY 17 2HA GLY 17 -3.793 -20.730 -13.403 85 2HA GLY 17 1HA GLY 17 -2.618 -19.475 -13.717 86 H GLY 18 H GLY 18 -4.228 -17.649 -12.266 87 1HA GLY 18 2HA GLY 18 -3.581 -16.549 -10.241 88 2HA GLY 18 1HA GLY 18 -5.091 -17.371 -9.978 89 H VAL 19 H VAL 19 -1.589 -18.112 -9.554 90 HA VAL 19 HA VAL 19 -2.404 -19.487 -7.079 91 HB VAL 19 HB VAL 19 -0.044 -19.519 -9.025 92 1HG1 VAL 19 3HG1 VAL 19 0.256 -20.100 -6.087 93 2HG1 VAL 19 2HG1 VAL 19 1.316 -20.829 -7.296 94 3HG1 VAL 19 1HG1 VAL 19 1.252 -19.085 -7.120 95 1HG2 VAL 19 2HG2 VAL 19 -1.467 -21.745 -7.520 96 2HG2 VAL 19 1HG2 VAL 19 -1.739 -21.262 -9.190 97 3HG2 VAL 19 3HG2 VAL 19 -0.209 -21.978 -8.727 98 1HN ABA 20 HN ABA 20 -2.874 -17.956 -5.860 99 HA ABA 20 HA ABA 20 -1.837 -15.355 -5.648 100 1HB ABA 20 1HB ABA 20 -3.339 -17.161 -3.740 101 2HB ABA 20 2HB ABA 20 -3.975 -16.036 -4.899 102 1HG ABA 20 1HG ABA 20 -2.148 -14.716 -2.916 103 2HG ABA 20 2HG ABA 20 -3.436 -15.576 -2.124 104 3HG ABA 20 3HG ABA 20 -3.825 -14.329 -3.283 105 H MET 21 H MET 21 0.336 -15.196 -5.488 106 HA MET 21 HA MET 21 1.563 -16.273 -2.989 107 1HB MET 21 2HB MET 21 3.715 -16.404 -4.239 108 2HB MET 21 1HB MET 21 2.501 -17.479 -4.887 109 1HG MET 21 2HG MET 21 2.058 -16.024 -6.746 110 2HG MET 21 1HG MET 21 3.043 -14.747 -6.102 111 1HE MET 21 2HE MET 21 5.722 -15.566 -5.392 112 2HE MET 21 1HE MET 21 5.483 -17.317 -5.304 113 3HE MET 21 3HE MET 21 6.610 -16.646 -6.473 114 H HIS 22 H HIS 22 2.136 -14.762 -1.656 115 HA HIS 22 HA HIS 22 1.974 -12.025 -2.307 116 1HB HIS 22 2HB HIS 22 1.835 -12.967 -0.052 117 2HB HIS 22 1HB HIS 22 3.588 -13.287 -0.121 118 HD1 HIS 22 HD1 HIS 22 3.188 -10.141 -1.695 119 HD2 HIS 22 HD2 HIS 22 3.062 -11.471 2.244 120 HE1 HIS 22 HE1 HIS 22 3.586 -8.235 -0.190 121 H ILE 23 H ILE 23 3.424 -10.896 -3.595 122 HA ILE 23 HA ILE 23 6.085 -12.039 -4.019 123 HB ILE 23 HB ILE 23 4.080 -11.371 -5.767 124 1HG1 ILE 23 2HG1 ILE 23 6.219 -11.077 -7.348 125 2HG1 ILE 23 1HG1 ILE 23 7.032 -11.749 -5.966 126 1HG2 ILE 23 1HG2 ILE 23 4.629 -8.896 -5.040 127 2HG2 ILE 23 3HG2 ILE 23 5.959 -9.045 -6.151 128 3HG2 ILE 23 2HG2 ILE 23 4.303 -9.226 -6.725 129 1HD1 ILE 23 2HD1 ILE 23 4.969 -13.498 -6.080 130 2HD1 ILE 23 1HD1 ILE 23 4.965 -13.003 -7.761 131 3HD1 ILE 23 3HD1 ILE 23 6.399 -13.728 -7.070 132 H GLU 24 H GLU 24 5.209 -10.351 -1.761 133 HA GLU 24 HA GLU 24 5.882 -7.712 -1.767 134 1HB GLU 24 2HB GLU 24 5.809 -9.674 0.319 135 2HB GLU 24 1HB GLU 24 7.453 -9.112 0.393 136 1HG GLU 24 2HG GLU 24 5.193 -7.060 0.329 137 2HG GLU 24 1HG GLU 24 5.684 -7.808 1.832 138 H SER 25 H SER 25 7.959 -10.296 -1.925 139 HA SER 25 HA SER 25 10.504 -9.577 -1.748 140 1HB SER 25 2HB SER 25 9.565 -11.007 -4.266 141 2HB SER 25 1HB SER 25 10.894 -11.496 -3.199 142 HG SER 25 HG SER 25 9.389 -12.636 -2.192 143 H LEU 26 H LEU 26 8.568 -8.911 -4.386 144 HA LEU 26 HA LEU 26 10.454 -6.895 -5.486 145 1HB LEU 26 2HB LEU 26 8.485 -7.331 -7.465 146 2HB LEU 26 1HB LEU 26 10.170 -7.777 -7.550 147 HG LEU 26 HG LEU 26 8.105 -9.405 -6.171 148 1HD1 LEU 26 2HD1 LEU 26 8.879 -9.380 -9.150 149 2HD1 LEU 26 1HD1 LEU 26 8.054 -10.754 -8.447 150 3HD1 LEU 26 3HD1 LEU 26 7.272 -9.185 -8.474 151 1HD2 LEU 26 2HD2 LEU 26 10.686 -9.901 -5.949 152 2HD2 LEU 26 1HD2 LEU 26 9.725 -11.271 -6.489 153 3HD2 LEU 26 3HD2 LEU 26 10.653 -10.336 -7.642 154 H ASP 27 H ASP 27 7.138 -7.573 -4.649 155 HA ASP 27 HA ASP 27 6.701 -4.668 -4.539 156 1HB ASP 27 2HB ASP 27 5.229 -6.478 -6.489 157 2HB ASP 27 1HB ASP 27 4.464 -5.007 -5.920 158 H SER 28 H SER 28 4.206 -7.080 -4.724 159 HA SER 28 HA SER 28 3.588 -6.840 -1.812 160 1HB SER 28 2HB SER 28 1.778 -5.445 -1.924 161 2HB SER 28 1HB SER 28 2.706 -4.769 -3.252 162 HG SER 28 HG SER 28 1.266 -5.504 -4.636 163 H TYR 29 H TYR 29 0.812 -7.529 -2.862 164 HA TYR 29 HA TYR 29 1.438 -10.472 -3.060 165 1HB TYR 29 2HB TYR 29 -0.220 -10.493 -1.360 166 2HB TYR 29 1HB TYR 29 -0.883 -8.953 -1.908 167 HD1 TYR 29 HD2 TYR 29 -0.419 -12.373 -3.395 168 HD2 TYR 29 HD1 TYR 29 -3.153 -9.173 -2.702 169 HE1 TYR 29 HE2 TYR 29 -2.114 -13.513 -4.659 170 HE2 TYR 29 HE1 TYR 29 -4.837 -10.350 -3.955 171 HH TYR 29 HH TYR 29 -4.088 -13.246 -5.791 172 H THR 30 H THR 30 0.973 -11.704 -4.672 173 HA THR 30 HA THR 30 -0.694 -10.623 -6.790 174 HB THR 30 HB THR 30 1.925 -9.984 -6.646 175 HG1 THR 30 HG1 THR 30 0.785 -9.149 -8.324 176 1HG2 THR 30 2HG2 THR 30 2.555 -12.494 -7.017 177 2HG2 THR 30 1HG2 THR 30 1.930 -12.297 -8.649 178 3HG2 THR 30 3HG2 THR 30 3.283 -11.320 -8.107 179 H CYS 31 H CYS 31 -0.355 -12.301 -8.706 180 HA CYS 31 HA CYS 31 -0.619 -15.004 -7.445 181 1HB CYS 31 2HB CYS 31 -2.576 -13.463 -8.900 182 2HB CYS 31 1HB CYS 31 -2.139 -14.820 -9.894 183 H ASN 32 H ASN 32 0.020 -16.725 -8.789 184 HA ASN 32 HA ASN 32 2.035 -15.991 -10.907 185 1HB ASN 32 2HB ASN 32 2.751 -17.347 -8.725 186 2HB ASN 32 1HB ASN 32 1.869 -18.682 -9.443 187 1HD2 ASN 32 2HD2 ASN 32 4.639 -19.441 -11.477 188 2HD2 ASN 32 1HD2 ASN 32 3.350 -20.030 -10.534 189 H CYS 33 H CYS 33 0.842 -15.961 -12.630 190 HA CYS 33 HA CYS 33 -1.323 -17.896 -12.979 191 1HB CYS 33 2HB CYS 33 -0.394 -15.672 -14.894 192 2HB CYS 33 1HB CYS 33 -1.852 -16.561 -14.933 193 H VAL 34 H VAL 34 -1.438 -18.903 -15.199 194 HA VAL 34 HA VAL 34 0.904 -20.499 -15.412 195 HB VAL 34 HB VAL 34 -1.419 -21.282 -15.939 196 1HG1 VAL 34 1HG1 VAL 34 -1.934 -19.087 -17.120 197 2HG1 VAL 34 3HG1 VAL 34 -1.529 -19.971 -18.579 198 3HG1 VAL 34 2HG1 VAL 34 -2.761 -20.590 -17.504 199 1HG2 VAL 34 2HG2 VAL 34 0.442 -22.567 -17.072 200 2HG2 VAL 34 1HG2 VAL 34 -1.083 -22.581 -17.955 201 3HG2 VAL 34 3HG2 VAL 34 0.203 -21.541 -18.490 202 H ILE 35 H ILE 35 1.997 -20.924 -17.207 203 HA ILE 35 HA ILE 35 3.592 -18.844 -18.202 204 HB ILE 35 HB ILE 35 4.400 -21.070 -18.388 205 1HG1 ILE 35 2HG1 ILE 35 3.649 -20.693 -21.288 206 2HG1 ILE 35 1HG1 ILE 35 4.615 -19.458 -20.521 207 1HG2 ILE 35 1HG2 ILE 35 1.792 -21.671 -19.812 208 2HG2 ILE 35 3HG2 ILE 35 3.146 -22.766 -19.935 209 3HG2 ILE 35 2HG2 ILE 35 2.443 -22.446 -18.369 210 1HD1 ILE 35 3HD1 ILE 35 5.424 -22.390 -20.365 211 2HD1 ILE 35 2HD1 ILE 35 5.950 -21.337 -21.665 212 3HD1 ILE 35 1HD1 ILE 35 6.404 -20.975 -20.009 213 H GLY 36 H GLY 36 0.529 -19.840 -19.180 214 1HA GLY 36 2HA GLY 36 0.628 -18.222 -21.641 215 2HA GLY 36 1HA GLY 36 -0.543 -19.446 -21.323 216 H TYR 37 H TYR 37 -0.351 -17.590 -18.655 217 HA TYR 37 HA TYR 37 -2.342 -15.524 -19.389 218 1HB TYR 37 2HB TYR 37 -2.487 -17.174 -16.857 219 2HB TYR 37 1HB TYR 37 -3.659 -16.049 -17.498 220 HD1 TYR 37 HD1 TYR 37 -3.675 -17.513 -20.440 221 HD2 TYR 37 HD2 TYR 37 -4.193 -18.783 -16.448 222 HE1 TYR 37 HE1 TYR 37 -5.128 -19.296 -21.210 223 HE2 TYR 37 HE2 TYR 37 -5.663 -20.587 -17.222 224 HH TYR 37 HH TYR 37 -7.171 -20.974 -19.232 225 H SER 38 H SER 38 -1.272 -13.677 -19.012 226 HA SER 38 HA SER 38 0.502 -13.765 -16.605 227 1HB SER 38 2HB SER 38 1.883 -14.156 -18.623 228 2HB SER 38 1HB SER 38 1.281 -12.673 -19.372 229 HG SER 38 HG SER 38 3.203 -12.970 -17.442 230 H GLY 39 H GLY 39 1.345 -11.016 -17.718 231 1HA GLY 39 2HA GLY 39 0.770 -8.773 -17.410 232 2HA GLY 39 1HA GLY 39 -0.923 -9.244 -17.377 233 H ASP 40 H ASP 40 0.287 -11.178 -15.138 234 HA ASP 40 HA ASP 40 1.004 -10.906 -12.832 235 1HB ASP 40 2HB ASP 40 1.172 -8.334 -13.210 236 2HB ASP 40 1HB ASP 40 -0.525 -8.292 -12.776 237 H ARG 41 H ARG 41 -1.969 -10.982 -14.352 238 HA ARG 41 HA ARG 41 -3.271 -11.908 -11.896 239 1HB ARG 41 2HB ARG 41 -3.683 -9.378 -12.863 240 2HB ARG 41 1HB ARG 41 -4.873 -10.221 -13.807 241 1HG ARG 41 2HG ARG 41 -4.736 -10.772 -10.909 242 2HG ARG 41 1HG ARG 41 -5.343 -9.215 -11.451 243 1HD ARG 41 2HD ARG 41 -6.540 -11.220 -13.052 244 2HD ARG 41 1HD ARG 41 -6.713 -11.664 -11.370 245 HE ARG 41 HE ARG 41 -7.598 -9.032 -12.434 246 1HH1 ARG 41 2HH1 ARG 41 -8.155 -8.157 -10.281 247 2HH1 ARG 41 1HH1 ARG 41 -9.420 -9.026 -9.445 248 1HH2 ARG 41 1HH2 ARG 41 -8.936 -11.840 -11.489 249 2HH2 ARG 41 2HH2 ARG 41 -9.879 -11.196 -10.191 250 H CYS 42 H CYS 42 -2.470 -12.542 -14.980 251 HA CYS 42 HA CYS 42 -2.969 -14.179 -16.387 252 1HB CYS 42 2HB CYS 42 -5.381 -15.341 -15.057 253 2HB CYS 42 1HB CYS 42 -3.920 -16.156 -15.529 254 H GLN 43 H GLN 43 -4.062 -11.681 -16.211 255 HA GLN 43 HA GLN 43 -6.877 -11.789 -17.064 256 1HB GLN 43 2HB GLN 43 -6.668 -9.327 -17.028 257 2HB GLN 43 1HB GLN 43 -6.059 -10.009 -15.523 258 1HG GLN 43 2HG GLN 43 -3.877 -9.925 -17.413 259 2HG GLN 43 1HG GLN 43 -4.705 -8.374 -17.439 260 1HE2 GLN 43 2HE2 GLN 43 -2.129 -9.074 -14.601 261 2HE2 GLN 43 1HE2 GLN 43 -2.263 -10.087 -15.980 262 H THR 44 H THR 44 -3.859 -11.893 -18.329 263 HA THR 44 HA THR 44 -4.823 -11.310 -21.104 264 HB THR 44 HB THR 44 -3.168 -9.731 -19.960 265 HG1 THR 44 HG1 THR 44 -1.724 -10.563 -22.110 266 1HG2 THR 44 2HG2 THR 44 -1.818 -11.598 -18.953 267 2HG2 THR 44 1HG2 THR 44 -1.030 -11.778 -20.511 268 3HG2 THR 44 3HG2 THR 44 -0.929 -10.246 -19.630 269 H ARG 45 H ARG 45 -5.640 -13.358 -20.979 270 HA ARG 45 HA ARG 45 -4.007 -15.648 -20.389 271 1HB ARG 45 2HB ARG 45 -6.676 -15.348 -21.823 272 2HB ARG 45 1HB ARG 45 -6.043 -16.823 -21.181 273 1HG ARG 45 2HG ARG 45 -6.000 -15.829 -18.923 274 2HG ARG 45 1HG ARG 45 -6.690 -14.359 -19.592 275 1HD ARG 45 2HD ARG 45 -8.079 -16.987 -19.092 276 2HD ARG 45 1HD ARG 45 -8.716 -15.343 -18.983 277 HE ARG 45 HE ARG 45 -8.251 -16.799 -21.563 278 1HH1 ARG 45 2HH1 ARG 45 -8.612 -14.470 -22.598 279 2HH1 ARG 45 1HH1 ARG 45 -10.287 -14.033 -22.551 280 1HH2 ARG 45 1HH2 ARG 45 -10.855 -16.447 -20.021 281 2HH2 ARG 45 2HH2 ARG 45 -11.661 -15.242 -20.971 282 H ASP 46 H ASP 46 -2.326 -15.365 -21.678 283 HA ASP 46 HA ASP 46 -2.575 -14.727 -24.392 284 1HB ASP 46 2HB ASP 46 -0.425 -14.935 -22.698 285 2HB ASP 46 1HB ASP 46 -0.259 -16.494 -23.491 286 H LEU 47 H LEU 47 -3.196 -17.453 -22.717 287 HA LEU 47 HA LEU 47 -4.298 -19.438 -23.200 288 1HB LEU 47 2HB LEU 47 -3.928 -18.637 -26.134 289 2HB LEU 47 1HB LEU 47 -4.824 -20.022 -25.597 290 HG LEU 47 HG LEU 47 -5.658 -17.613 -24.088 291 1HD1 LEU 47 3HD1 LEU 47 -4.985 -16.512 -26.220 292 2HD1 LEU 47 2HD1 LEU 47 -6.098 -17.552 -27.094 293 3HD1 LEU 47 1HD1 LEU 47 -6.706 -16.397 -25.911 294 1HD2 LEU 47 2HD2 LEU 47 -7.150 -19.555 -25.910 295 2HD2 LEU 47 1HD2 LEU 47 -6.955 -19.728 -24.173 296 3HD2 LEU 47 3HD2 LEU 47 -7.901 -18.401 -24.817 297 H ARG 48 HN ARG 48 -1.812 -19.611 -22.490 298 HA ARG 48 HA ARG 48 -0.908 -22.013 -23.945 299 1HB ARG 48 2HB ARG 48 0.768 -19.577 -23.185 300 2HB ARG 48 1HB ARG 48 1.547 -21.126 -23.361 301 1HG ARG 48 2HG ARG 48 1.426 -21.077 -25.619 302 2HG ARG 48 1HG ARG 48 -0.261 -20.642 -25.628 303 1HD ARG 48 2HD ARG 48 1.192 -18.276 -24.798 304 2HD ARG 48 1HD ARG 48 2.010 -18.957 -26.197 305 HE ARG 48 HE ARG 48 -0.904 -18.200 -26.144 306 1HH1 ARG 48 1HH1 ARG 48 0.213 -20.235 -28.037 307 2HH1 ARG 48 2HH1 ARG 48 0.509 -19.329 -29.482 308 1HH2 ARG 48 1HH2 ARG 48 0.240 -16.318 -27.597 309 2HH2 ARG 48 2HH2 ARG 48 0.523 -16.903 -29.201 No H/Q in entry = 309 Start of MODEL 19 1 1H PRO 4 1H PRO 4 0.813 -0.109 -0.286 2 2H PRO 4 2H PRO 4 1.034 1.445 -0.941 3 HA PRO 4 HA PRO 4 2.798 0.762 -2.074 4 1HB PRO 4 2HB PRO 4 4.554 -0.540 -0.280 5 2HB PRO 4 1HB PRO 4 4.510 1.200 -0.565 6 1HG PRO 4 2HG PRO 4 3.256 -0.370 1.683 7 2HG PRO 4 1HG PRO 4 3.951 1.251 1.709 8 1HD PRO 4 2HD PRO 4 1.243 0.853 1.665 9 2HD PRO 4 1HD PRO 4 1.985 2.254 0.882 10 H GLY 5 H GLY 5 0.837 -0.732 -2.584 11 1HA GLY 5 2HA GLY 5 1.410 -3.020 -3.756 12 2HA GLY 5 1HA GLY 5 1.512 -3.556 -2.072 13 1HN ABA 6 HN ABA 6 -0.175 -4.991 -3.335 14 HA ABA 6 HA ABA 6 -2.827 -3.912 -2.600 15 1HB ABA 6 1HB ABA 6 -2.825 -5.831 -4.868 16 2HB ABA 6 2HB ABA 6 -1.845 -4.442 -5.205 17 1HG ABA 6 1HG ABA 6 -4.285 -4.164 -5.867 18 2HG ABA 6 2HG ABA 6 -3.677 -2.900 -4.813 19 3HG ABA 6 3HG ABA 6 -4.696 -4.172 -4.162 20 HA PRO 7 HA PRO 7 -2.640 -8.300 -0.895 21 1HB PRO 7 2HB PRO 7 -1.912 -7.522 1.809 22 2HB PRO 7 1HB PRO 7 -1.060 -8.620 0.725 23 1HG PRO 7 2HG PRO 7 -0.116 -6.070 1.474 24 2HG PRO 7 1HG PRO 7 0.448 -6.988 0.095 25 1HD PRO 7 2HD PRO 7 -1.529 -4.689 0.117 26 2HD PRO 7 1HD PRO 7 -0.339 -5.174 -1.103 27 H SER 8 H SER 8 -3.620 -5.250 0.163 28 HA SER 8 HA SER 8 -5.381 -5.150 2.098 29 1HB SER 8 2HB SER 8 -5.304 -3.441 0.198 30 2HB SER 8 1HB SER 8 -6.417 -4.474 -0.706 31 HG SER 8 HG SER 8 -7.494 -4.313 1.667 32 H SER 9 H SER 9 -6.369 -6.835 -0.872 33 HA SER 9 HA SER 9 -7.890 -8.783 0.616 34 1HB SER 9 2HB SER 9 -9.579 -6.834 0.215 35 2HB SER 9 1HB SER 9 -9.321 -7.090 -1.524 36 HG SER 9 HG SER 9 -10.789 -8.551 0.183 37 H TYR 10 H TYR 10 -8.332 -10.474 -0.856 38 HA TYR 10 HA TYR 10 -6.895 -10.356 -3.389 39 1HB TYR 10 2HB TYR 10 -6.536 -12.984 -2.726 40 2HB TYR 10 1HB TYR 10 -5.407 -11.756 -2.229 41 HD1 TYR 10 HD1 TYR 10 -8.136 -13.870 -1.069 42 HD2 TYR 10 HD2 TYR 10 -5.279 -10.926 0.073 43 HE1 TYR 10 HE1 TYR 10 -8.578 -14.358 1.301 44 HE2 TYR 10 HE2 TYR 10 -5.721 -11.422 2.434 45 HH TYR 10 HH TYR 10 -6.863 -13.944 3.601 46 H ASP 11 H ASP 11 -9.789 -10.337 -2.272 47 HA ASP 11 HA ASP 11 -11.087 -12.626 -3.344 48 1HB ASP 11 2HB ASP 11 -12.086 -10.744 -1.790 49 2HB ASP 11 1HB ASP 11 -12.337 -9.842 -3.277 50 H GLY 12 H GLY 12 -11.693 -13.068 -5.441 51 1HA GLY 12 2HA GLY 12 -11.372 -12.999 -7.814 52 2HA GLY 12 1HA GLY 12 -12.299 -11.516 -7.628 53 H TYR 13 H TYR 13 -9.103 -12.220 -6.499 54 HA TYR 13 HA TYR 13 -7.999 -9.841 -7.863 55 1HB TYR 13 2HB TYR 13 -7.664 -10.354 -5.426 56 2HB TYR 13 1HB TYR 13 -6.737 -11.791 -5.854 57 HD1 TYR 13 HD1 TYR 13 -4.651 -11.392 -7.383 58 HD2 TYR 13 HD2 TYR 13 -6.573 -8.289 -5.192 59 HE1 TYR 13 HE1 TYR 13 -2.644 -10.058 -7.545 60 HE2 TYR 13 HE2 TYR 13 -4.545 -6.950 -5.337 61 HH TYR 13 HH TYR 13 -1.615 -8.149 -6.033 62 H CYS 14 H CYS 14 -8.078 -13.175 -8.337 63 HA CYS 14 HA CYS 14 -5.831 -13.048 -10.319 64 1HB CYS 14 2HB CYS 14 -6.916 -15.485 -8.901 65 2HB CYS 14 1HB CYS 14 -5.499 -15.337 -9.899 66 H LEU 15 H LEU 15 -6.352 -14.112 -12.380 67 HA LEU 15 HA LEU 15 -9.300 -14.247 -12.891 68 1HB LEU 15 2HB LEU 15 -7.153 -12.921 -14.246 69 2HB LEU 15 1HB LEU 15 -7.693 -14.174 -15.307 70 HG LEU 15 HG LEU 15 -10.126 -13.016 -14.590 71 1HD1 LEU 15 2HD1 LEU 15 -7.969 -10.841 -14.642 72 2HD1 LEU 15 1HD1 LEU 15 -9.682 -10.514 -14.749 73 3HD1 LEU 15 3HD1 LEU 15 -9.009 -11.215 -13.303 74 1HD2 LEU 15 3HD2 LEU 15 -8.454 -13.187 -16.947 75 2HD2 LEU 15 2HD2 LEU 15 -10.155 -12.802 -16.882 76 3HD2 LEU 15 1HD2 LEU 15 -8.963 -11.522 -16.822 77 H ASN 16 H ASN 16 -6.399 -15.963 -13.473 78 HA ASN 16 HA ASN 16 -7.934 -18.399 -14.134 79 1HB ASN 16 2HB ASN 16 -5.890 -17.165 -15.981 80 2HB ASN 16 1HB ASN 16 -6.118 -18.907 -15.868 81 1HD2 ASN 16 2HD2 ASN 16 -9.197 -16.820 -17.382 82 2HD2 ASN 16 1HD2 ASN 16 -8.223 -16.025 -16.232 83 H GLY 17 H GLY 17 -4.386 -18.171 -14.528 84 1HA GLY 17 2HA GLY 17 -3.907 -20.719 -13.329 85 2HA GLY 17 1HA GLY 17 -2.684 -19.515 -13.680 86 H GLY 18 H GLY 18 -4.355 -17.628 -12.244 87 1HA GLY 18 2HA GLY 18 -3.621 -16.512 -10.244 88 2HA GLY 18 1HA GLY 18 -5.146 -17.307 -9.956 89 H VAL 19 H VAL 19 -1.659 -18.040 -9.588 90 HA VAL 19 HA VAL 19 -2.428 -19.508 -7.159 91 HB VAL 19 HB VAL 19 -0.070 -19.393 -9.101 92 1HG1 VAL 19 3HG1 VAL 19 0.268 -19.971 -6.172 93 2HG1 VAL 19 2HG1 VAL 19 1.310 -20.749 -7.365 94 3HG1 VAL 19 1HG1 VAL 19 1.267 -18.999 -7.241 95 1HG2 VAL 19 1HG2 VAL 19 -1.366 -21.718 -7.641 96 2HG2 VAL 19 3HG2 VAL 19 -1.704 -21.202 -9.290 97 3HG2 VAL 19 2HG2 VAL 19 -0.129 -21.851 -8.885 98 1HN ABA 20 HN ABA 20 -3.000 -18.004 -5.948 99 HA ABA 20 HA ABA 20 -1.940 -15.416 -5.614 100 1HB ABA 20 1HB ABA 20 -3.531 -17.228 -3.770 101 2HB ABA 20 2HB ABA 20 -4.128 -16.118 -4.956 102 1HG ABA 20 1HG ABA 20 -2.305 -14.783 -2.963 103 2HG ABA 20 2HG ABA 20 -3.585 -15.626 -2.154 104 3HG ABA 20 3HG ABA 20 -3.980 -14.386 -3.317 105 H MET 21 H MET 21 0.217 -15.410 -5.433 106 HA MET 21 HA MET 21 1.370 -16.584 -2.925 107 1HB MET 21 2HB MET 21 3.552 -16.644 -4.153 108 2HB MET 21 1HB MET 21 2.353 -17.605 -4.986 109 1HG MET 21 2HG MET 21 1.955 -15.874 -6.620 110 2HG MET 21 1HG MET 21 2.965 -14.737 -5.779 111 1HE MET 21 2HE MET 21 5.606 -15.734 -5.191 112 2HE MET 21 1HE MET 21 5.298 -17.471 -5.347 113 3HE MET 21 3HE MET 21 6.472 -16.690 -6.398 114 H HIS 22 H HIS 22 3.202 -15.152 -2.097 115 HA HIS 22 HA HIS 22 2.271 -12.341 -2.445 116 1HB HIS 22 2HB HIS 22 2.298 -13.407 -0.211 117 2HB HIS 22 1HB HIS 22 4.070 -13.475 -0.332 118 HD1 HIS 22 HD1 HIS 22 3.194 -10.358 -1.827 119 HD2 HIS 22 HD2 HIS 22 3.360 -11.807 2.073 120 HE1 HIS 22 HE1 HIS 22 3.369 -8.467 -0.283 121 H ILE 23 H ILE 23 3.562 -11.017 -3.617 122 HA ILE 23 HA ILE 23 6.246 -11.948 -4.216 123 HB ILE 23 HB ILE 23 4.106 -11.218 -5.851 124 1HG1 ILE 23 2HG1 ILE 23 6.044 -11.022 -7.565 125 2HG1 ILE 23 1HG1 ILE 23 7.062 -11.524 -6.244 126 1HG2 ILE 23 1HG2 ILE 23 4.713 -8.806 -5.074 127 2HG2 ILE 23 3HG2 ILE 23 6.055 -8.941 -6.170 128 3HG2 ILE 23 2HG2 ILE 23 4.407 -9.056 -6.777 129 1HD1 ILE 23 1HD1 ILE 23 5.188 -13.444 -5.975 130 2HD1 ILE 23 3HD1 ILE 23 4.873 -13.058 -7.656 131 3HD1 ILE 23 2HD1 ILE 23 6.455 -13.623 -7.171 132 H GLU 24 H GLU 24 5.183 -10.397 -1.909 133 HA GLU 24 HA GLU 24 5.639 -7.760 -1.667 134 1HB GLU 24 2HB GLU 24 5.837 -9.863 0.267 135 2HB GLU 24 1HB GLU 24 7.434 -9.174 0.333 136 1HG GLU 24 2HG GLU 24 4.816 -7.709 0.950 137 2HG GLU 24 1HG GLU 24 6.157 -8.006 2.017 138 H SER 25 H SER 25 8.057 -10.034 -1.687 139 HA SER 25 HA SER 25 10.476 -9.087 -1.558 140 1HB SER 25 2HB SER 25 9.657 -10.615 -4.047 141 2HB SER 25 1HB SER 25 11.106 -10.890 -3.061 142 HG SER 25 HG SER 25 9.877 -12.119 -1.832 143 H LEU 26 H LEU 26 8.617 -8.627 -4.289 144 HA LEU 26 HA LEU 26 10.422 -6.536 -5.389 145 1HB LEU 26 2HB LEU 26 8.518 -7.179 -7.399 146 2HB LEU 26 1HB LEU 26 10.232 -7.514 -7.431 147 HG LEU 26 HG LEU 26 8.289 -9.245 -5.987 148 1HD1 LEU 26 2HD1 LEU 26 9.035 -9.377 -8.958 149 2HD1 LEU 26 1HD1 LEU 26 8.216 -10.685 -8.130 150 3HD1 LEU 26 3HD1 LEU 26 7.433 -9.123 -8.291 151 1HD2 LEU 26 1HD2 LEU 26 10.869 -9.550 -5.725 152 2HD2 LEU 26 3HD2 LEU 26 10.050 -10.997 -6.300 153 3HD2 LEU 26 2HD2 LEU 26 10.926 -9.972 -7.422 154 H ASP 27 H ASP 27 7.142 -7.386 -4.635 155 HA ASP 27 HA ASP 27 6.500 -4.524 -4.570 156 1HB ASP 27 2HB ASP 27 5.246 -6.498 -6.500 157 2HB ASP 27 1HB ASP 27 4.310 -5.112 -5.971 158 H SER 28 H SER 28 4.203 -7.156 -4.727 159 HA SER 28 HA SER 28 3.605 -6.994 -1.824 160 1HB SER 28 2HB SER 28 1.724 -5.702 -1.875 161 2HB SER 28 1HB SER 28 2.665 -4.928 -3.145 162 HG SER 28 HG SER 28 1.338 -5.718 -4.639 163 H TYR 29 H TYR 29 0.833 -7.726 -2.827 164 HA TYR 29 HA TYR 29 1.455 -10.689 -3.102 165 1HB TYR 29 2HB TYR 29 -0.241 -10.665 -1.391 166 2HB TYR 29 1HB TYR 29 -0.855 -9.099 -1.903 167 HD1 TYR 29 HD1 TYR 29 -0.561 -12.528 -3.413 168 HD2 TYR 29 HD2 TYR 29 -3.090 -9.164 -2.746 169 HE1 TYR 29 HE1 TYR 29 -2.318 -13.588 -4.667 170 HE2 TYR 29 HE2 TYR 29 -4.853 -10.278 -3.975 171 HH TYR 29 HH TYR 29 -4.325 -13.257 -5.748 172 H THR 30 H THR 30 0.829 -11.910 -4.716 173 HA THR 30 HA THR 30 -0.764 -10.710 -6.811 174 HB THR 30 HB THR 30 1.885 -10.104 -6.632 175 HG1 THR 30 HG1 THR 30 0.733 -9.115 -8.162 176 1HG2 THR 30 2HG2 THR 30 2.521 -12.552 -7.176 177 2HG2 THR 30 1HG2 THR 30 1.799 -12.303 -8.763 178 3HG2 THR 30 3HG2 THR 30 3.172 -11.328 -8.258 179 H CYS 31 H CYS 31 -0.468 -12.348 -8.812 180 HA CYS 31 HA CYS 31 -0.751 -15.066 -7.576 181 1HB CYS 31 2HB CYS 31 -2.683 -13.472 -8.998 182 2HB CYS 31 1HB CYS 31 -2.283 -14.841 -10.003 183 H ASN 32 H ASN 32 0.080 -16.755 -8.773 184 HA ASN 32 HA ASN 32 2.070 -15.944 -10.876 185 1HB ASN 32 2HB ASN 32 2.659 -17.414 -8.694 186 2HB ASN 32 1HB ASN 32 1.950 -18.727 -9.620 187 1HD2 ASN 32 2HD2 ASN 32 5.064 -19.112 -11.260 188 2HD2 ASN 32 1HD2 ASN 32 3.802 -19.873 -10.407 189 H CYS 33 H CYS 33 0.843 -15.816 -12.604 190 HA CYS 33 HA CYS 33 -1.223 -17.808 -13.131 191 1HB CYS 33 2HB CYS 33 -0.311 -15.492 -14.928 192 2HB CYS 33 1HB CYS 33 -1.746 -16.415 -14.991 193 H VAL 34 H VAL 34 -1.256 -18.980 -15.007 194 HA VAL 34 HA VAL 34 1.069 -20.442 -15.419 195 HB VAL 34 HB VAL 34 -1.328 -21.164 -15.769 196 1HG1 VAL 34 1HG1 VAL 34 -1.847 -19.071 -17.069 197 2HG1 VAL 34 3HG1 VAL 34 -1.419 -20.002 -18.494 198 3HG1 VAL 34 2HG1 VAL 34 -2.663 -20.589 -17.418 199 1HG2 VAL 34 3HG2 VAL 34 0.556 -22.543 -16.873 200 2HG2 VAL 34 2HG2 VAL 34 -1.066 -22.725 -17.522 201 3HG2 VAL 34 1HG2 VAL 34 0.091 -21.740 -18.379 202 H ILE 35 H ILE 35 2.017 -20.982 -17.263 203 HA ILE 35 HA ILE 35 3.561 -18.958 -18.464 204 HB ILE 35 HB ILE 35 4.378 -21.194 -18.567 205 1HG1 ILE 35 2HG1 ILE 35 3.394 -20.874 -21.426 206 2HG1 ILE 35 1HG1 ILE 35 4.551 -19.746 -20.764 207 1HG2 ILE 35 2HG2 ILE 35 1.686 -21.908 -19.782 208 2HG2 ILE 35 1HG2 ILE 35 3.048 -22.998 -19.902 209 3HG2 ILE 35 3HG2 ILE 35 2.432 -22.578 -18.327 210 1HD1 ILE 35 2HD1 ILE 35 5.962 -21.866 -20.096 211 2HD1 ILE 35 1HD1 ILE 35 4.917 -22.721 -21.223 212 3HD1 ILE 35 3HD1 ILE 35 5.915 -21.398 -21.786 213 H GLY 36 H GLY 36 0.456 -20.030 -19.165 214 1HA GLY 36 2HA GLY 36 0.297 -18.706 -21.793 215 2HA GLY 36 1HA GLY 36 -0.899 -19.778 -21.151 216 H TYR 37 H TYR 37 -0.444 -17.814 -18.655 217 HA TYR 37 HA TYR 37 -2.235 -15.565 -19.432 218 1HB TYR 37 2HB TYR 37 -2.499 -17.064 -16.833 219 2HB TYR 37 1HB TYR 37 -3.641 -15.965 -17.584 220 HD1 TYR 37 HD1 TYR 37 -3.768 -17.503 -20.370 221 HD2 TYR 37 HD2 TYR 37 -4.059 -18.770 -16.352 222 HE1 TYR 37 HE1 TYR 37 -5.189 -19.338 -21.067 223 HE2 TYR 37 HE2 TYR 37 -5.492 -20.626 -17.058 224 HH TYR 37 HH TYR 37 -7.115 -20.968 -19.104 225 H SER 38 H SER 38 -1.188 -13.735 -19.028 226 HA SER 38 HA SER 38 0.623 -13.839 -16.648 227 1HB SER 38 2HB SER 38 1.937 -14.162 -18.782 228 2HB SER 38 1HB SER 38 1.356 -12.599 -19.371 229 HG SER 38 HG SER 38 3.295 -13.112 -17.527 230 H GLY 39 H GLY 39 1.438 -11.112 -17.635 231 1HA GLY 39 2HA GLY 39 0.814 -8.870 -17.382 232 2HA GLY 39 1HA GLY 39 -0.871 -9.364 -17.353 233 H ASP 40 H ASP 40 0.327 -11.286 -15.094 234 HA ASP 40 HA ASP 40 1.032 -10.963 -12.773 235 1HB ASP 40 2HB ASP 40 1.196 -8.405 -13.186 236 2HB ASP 40 1HB ASP 40 -0.511 -8.353 -12.814 237 H ARG 41 H ARG 41 -1.961 -10.976 -14.312 238 HA ARG 41 HA ARG 41 -3.281 -11.942 -11.873 239 1HB ARG 41 2HB ARG 41 -3.643 -9.398 -12.805 240 2HB ARG 41 1HB ARG 41 -4.838 -10.205 -13.776 241 1HG ARG 41 2HG ARG 41 -4.727 -10.762 -10.876 242 2HG ARG 41 1HG ARG 41 -5.343 -9.214 -11.439 243 1HD ARG 41 2HD ARG 41 -6.501 -11.261 -13.029 244 2HD ARG 41 1HD ARG 41 -6.725 -11.642 -11.337 245 HE ARG 41 HE ARG 41 -7.554 -9.044 -12.511 246 1HH1 ARG 41 2HH1 ARG 41 -8.179 -8.118 -10.406 247 2HH1 ARG 41 1HH1 ARG 41 -9.476 -8.962 -9.594 248 1HH2 ARG 41 1HH2 ARG 41 -8.969 -11.818 -11.560 249 2HH2 ARG 41 2HH2 ARG 41 -9.928 -11.129 -10.290 250 H CYS 42 H CYS 42 -2.440 -12.551 -14.955 251 HA CYS 42 HA CYS 42 -2.966 -14.146 -16.397 252 1HB CYS 42 2HB CYS 42 -5.351 -15.311 -15.034 253 2HB CYS 42 1HB CYS 42 -3.915 -16.132 -15.567 254 H GLN 43 H GLN 43 -4.068 -11.663 -16.196 255 HA GLN 43 HA GLN 43 -6.892 -11.751 -17.012 256 1HB GLN 43 2HB GLN 43 -6.665 -9.300 -16.973 257 2HB GLN 43 1HB GLN 43 -6.029 -9.980 -15.473 258 1HG GLN 43 2HG GLN 43 -3.901 -9.828 -17.449 259 2HG GLN 43 1HG GLN 43 -4.738 -8.287 -17.336 260 1HE2 GLN 43 2HE2 GLN 43 -2.061 -9.157 -14.620 261 2HE2 GLN 43 1HE2 GLN 43 -2.245 -10.119 -16.031 262 H THR 44 H THR 44 -3.869 -11.843 -18.266 263 HA THR 44 HA THR 44 -4.801 -11.300 -21.052 264 HB THR 44 HB THR 44 -3.157 -9.746 -19.837 265 HG1 THR 44 HG1 THR 44 -1.844 -10.542 -22.101 266 1HG2 THR 44 3HG2 THR 44 -1.780 -11.607 -18.960 267 2HG2 THR 44 2HG2 THR 44 -1.003 -11.691 -20.531 268 3HG2 THR 44 1HG2 THR 44 -0.938 -10.196 -19.580 269 H ARG 45 H ARG 45 -5.534 -13.331 -21.137 270 HA ARG 45 HA ARG 45 -3.859 -15.604 -20.490 271 1HB ARG 45 2HB ARG 45 -6.565 -15.250 -21.815 272 2HB ARG 45 1HB ARG 45 -5.882 -16.786 -21.353 273 1HG ARG 45 2HG ARG 45 -5.993 -16.386 -19.113 274 2HG ARG 45 1HG ARG 45 -5.898 -14.646 -19.276 275 1HD ARG 45 2HD ARG 45 -8.186 -15.260 -18.589 276 2HD ARG 45 1HD ARG 45 -8.238 -14.616 -20.224 277 HE ARG 45 HE ARG 45 -8.236 -17.551 -19.607 278 1HH1 ARG 45 2HH1 ARG 45 -7.665 -16.710 -22.342 279 2HH1 ARG 45 1HH1 ARG 45 -9.209 -16.729 -23.126 280 1HH2 ARG 45 1HH2 ARG 45 -10.840 -16.763 -20.004 281 2HH2 ARG 45 2HH2 ARG 45 -11.125 -16.759 -21.713 282 H ASP 46 H ASP 46 -2.175 -15.416 -21.735 283 HA ASP 46 HA ASP 46 -2.348 -14.697 -24.433 284 1HB ASP 46 2HB ASP 46 -0.148 -14.809 -23.034 285 2HB ASP 46 1HB ASP 46 -0.265 -16.562 -23.162 286 H LEU 47 H LEU 47 -2.908 -17.448 -22.735 287 HA LEU 47 HA LEU 47 -4.035 -19.394 -23.120 288 1HB LEU 47 2HB LEU 47 -4.527 -17.885 -25.516 289 2HB LEU 47 1HB LEU 47 -4.010 -19.418 -26.142 290 HG LEU 47 HG LEU 47 -6.086 -19.185 -23.899 291 1HD1 LEU 47 3HD1 LEU 47 -6.612 -19.030 -26.891 292 2HD1 LEU 47 2HD1 LEU 47 -7.842 -19.198 -25.647 293 3HD1 LEU 47 1HD1 LEU 47 -6.870 -17.744 -25.722 294 1HD2 LEU 47 3HD2 LEU 47 -5.574 -21.294 -26.052 295 2HD2 LEU 47 2HD2 LEU 47 -5.198 -21.453 -24.338 296 3HD2 LEU 47 1HD2 LEU 47 -6.862 -21.352 -24.866 297 H ARG 48 HN ARG 48 -3.267 -20.981 -25.598 298 HA ARG 48 HA ARG 48 -1.835 -22.890 -25.652 299 1HB ARG 48 2HB ARG 48 0.250 -20.817 -26.415 300 2HB ARG 48 1HB ARG 48 -0.167 -22.304 -27.228 301 1HG ARG 48 2HG ARG 48 -1.239 -20.912 -28.708 302 2HG ARG 48 1HG ARG 48 -2.529 -20.868 -27.540 303 1HD ARG 48 2HD ARG 48 -2.096 -18.531 -27.757 304 2HD ARG 48 1HD ARG 48 -1.004 -18.902 -26.448 305 HE ARG 48 HE ARG 48 -0.057 -18.945 -29.300 306 1HH1 ARG 48 1HH2 ARG 48 1.926 -19.756 -27.468 307 2HH1 ARG 48 2HH2 ARG 48 2.678 -18.310 -26.891 308 1HH2 ARG 48 1HH1 ARG 48 -0.030 -16.371 -28.089 309 2HH2 ARG 48 2HH1 ARG 48 1.492 -16.231 -27.286 No H/Q in entry = 309 Start of MODEL 20 1 1H PRO 4 1H PRO 4 2.508 -0.269 0.359 2 2H PRO 4 2H PRO 4 1.871 1.314 0.304 3 HA PRO 4 HA PRO 4 1.470 1.064 -1.853 4 1HB PRO 4 2HB PRO 4 3.861 0.321 -3.153 5 2HB PRO 4 1HB PRO 4 3.513 1.976 -2.638 6 1HG PRO 4 2HG PRO 4 5.035 -0.203 -1.160 7 2HG PRO 4 1HG PRO 4 5.511 1.482 -1.402 8 1HD PRO 4 2HD PRO 4 4.408 0.747 0.929 9 2HD PRO 4 1HD PRO 4 3.903 2.273 0.188 10 H GLY 5 H GLY 5 0.518 -0.617 -3.045 11 1HA GLY 5 2HA GLY 5 1.139 -3.003 -3.880 12 2HA GLY 5 1HA GLY 5 1.280 -3.354 -2.160 13 1HN ABA 6 HN ABA 6 -0.311 -4.994 -3.274 14 HA ABA 6 HA ABA 6 -3.018 -4.034 -2.566 15 1HB ABA 6 1HB ABA 6 -2.760 -5.994 -4.816 16 2HB ABA 6 2HB ABA 6 -2.187 -4.388 -5.159 17 1HG ABA 6 1HG ABA 6 -4.415 -3.468 -4.384 18 2HG ABA 6 2HG ABA 6 -4.985 -5.121 -4.191 19 3HG ABA 6 3HG ABA 6 -4.540 -4.516 -5.784 20 HA PRO 7 HA PRO 7 -2.533 -8.419 -0.891 21 1HB PRO 7 2HB PRO 7 -1.742 -7.773 1.804 22 2HB PRO 7 1HB PRO 7 -0.799 -8.630 0.589 23 1HG PRO 7 2HG PRO 7 -0.238 -6.013 1.556 24 2HG PRO 7 1HG PRO 7 0.483 -6.787 0.160 25 1HD PRO 7 2HD PRO 7 -1.722 -4.730 0.193 26 2HD PRO 7 1HD PRO 7 -0.498 -5.086 -1.035 27 H SER 8 H SER 8 -3.516 -5.553 0.682 28 HA SER 8 HA SER 8 -5.234 -5.870 2.628 29 1HB SER 8 2HB SER 8 -5.346 -4.172 0.226 30 2HB SER 8 1HB SER 8 -6.975 -4.536 0.799 31 HG SER 8 HG SER 8 -5.206 -2.899 1.931 32 H SER 9 H SER 9 -6.371 -6.844 -0.628 33 HA SER 9 HA SER 9 -7.923 -8.983 0.587 34 1HB SER 9 2HB SER 9 -9.544 -6.972 0.366 35 2HB SER 9 1HB SER 9 -9.231 -7.001 -1.383 36 HG SER 9 HG SER 9 -10.834 -8.618 0.013 37 H TYR 10 H TYR 10 -8.397 -10.456 -0.993 38 HA TYR 10 HA TYR 10 -6.944 -10.260 -3.511 39 1HB TYR 10 2HB TYR 10 -6.700 -12.942 -2.987 40 2HB TYR 10 1HB TYR 10 -5.508 -11.790 -2.471 41 HD1 TYR 10 HD1 TYR 10 -5.414 -10.884 -0.182 42 HD2 TYR 10 HD2 TYR 10 -8.156 -13.959 -1.268 43 HE1 TYR 10 HE1 TYR 10 -5.779 -11.383 2.175 44 HE2 TYR 10 HE2 TYR 10 -8.523 -14.459 1.109 45 HH TYR 10 HH TYR 10 -6.985 -12.619 3.667 46 H ASP 11 H ASP 11 -9.815 -10.153 -2.393 47 HA ASP 11 HA ASP 11 -11.330 -12.290 -3.430 48 1HB ASP 11 2HB ASP 11 -12.143 -9.341 -3.484 49 2HB ASP 11 1HB ASP 11 -13.233 -10.708 -3.443 50 H GLY 12 H GLY 12 -11.733 -12.884 -5.490 51 1HA GLY 12 2HA GLY 12 -11.268 -13.017 -7.837 52 2HA GLY 12 1HA GLY 12 -12.236 -11.548 -7.827 53 H TYR 13 H TYR 13 -9.058 -12.195 -6.571 54 HA TYR 13 HA TYR 13 -7.950 -9.845 -7.964 55 1HB TYR 13 2HB TYR 13 -7.648 -10.322 -5.531 56 2HB TYR 13 1HB TYR 13 -6.694 -11.758 -5.925 57 HD1 TYR 13 HD2 TYR 13 -4.592 -11.425 -7.343 58 HD2 TYR 13 HD1 TYR 13 -6.631 -8.197 -5.464 59 HE1 TYR 13 HE2 TYR 13 -2.595 -10.068 -7.543 60 HE2 TYR 13 HE1 TYR 13 -4.618 -6.840 -5.653 61 HH TYR 13 HH TYR 13 -1.612 -8.069 -6.278 62 H CYS 14 H CYS 14 -8.004 -13.187 -8.382 63 HA CYS 14 HA CYS 14 -5.748 -13.070 -10.356 64 1HB CYS 14 2HB CYS 14 -6.816 -15.516 -8.908 65 2HB CYS 14 1HB CYS 14 -5.392 -15.360 -9.897 66 H LEU 15 H LEU 15 -6.254 -14.144 -12.401 67 HA LEU 15 HA LEU 15 -9.196 -14.278 -12.911 68 1HB LEU 15 2HB LEU 15 -7.034 -13.001 -14.269 69 2HB LEU 15 1HB LEU 15 -7.546 -14.292 -15.295 70 HG LEU 15 HG LEU 15 -9.998 -13.124 -14.636 71 1HD1 LEU 15 3HD1 LEU 15 -7.828 -10.962 -14.740 72 2HD1 LEU 15 2HD1 LEU 15 -9.524 -10.614 -14.964 73 3HD1 LEU 15 1HD1 LEU 15 -8.948 -11.236 -13.442 74 1HD2 LEU 15 2HD2 LEU 15 -8.244 -13.330 -16.976 75 2HD2 LEU 15 1HD2 LEU 15 -9.980 -13.172 -16.934 76 3HD2 LEU 15 3HD2 LEU 15 -8.970 -11.743 -16.949 77 H ASN 16 H ASN 16 -6.312 -16.051 -13.412 78 HA ASN 16 HA ASN 16 -7.878 -18.485 -13.971 79 1HB ASN 16 2HB ASN 16 -5.916 -17.289 -15.922 80 2HB ASN 16 1HB ASN 16 -6.135 -19.041 -15.805 81 1HD2 ASN 16 2HD2 ASN 16 -9.270 -16.914 -17.171 82 2HD2 ASN 16 1HD2 ASN 16 -8.192 -16.111 -16.132 83 H GLY 17 H GLY 17 -4.393 -18.229 -14.550 84 1HA GLY 17 2HA GLY 17 -3.736 -20.707 -13.339 85 2HA GLY 17 1HA GLY 17 -2.578 -19.429 -13.654 86 H GLY 18 H GLY 18 -4.211 -17.619 -12.234 87 1HA GLY 18 2HA GLY 18 -3.594 -16.505 -10.216 88 2HA GLY 18 1HA GLY 18 -5.080 -17.375 -9.929 89 H VAL 19 H VAL 19 -1.555 -18.073 -9.622 90 HA VAL 19 HA VAL 19 -2.281 -19.465 -7.134 91 HB VAL 19 HB VAL 19 0.041 -19.436 -9.137 92 1HG1 VAL 19 3HG1 VAL 19 0.391 -20.048 -6.213 93 2HG1 VAL 19 2HG1 VAL 19 1.429 -20.776 -7.442 94 3HG1 VAL 19 1HG1 VAL 19 1.372 -19.031 -7.259 95 1HG2 VAL 19 2HG2 VAL 19 -1.322 -21.712 -7.642 96 2HG2 VAL 19 1HG2 VAL 19 -1.641 -21.209 -9.293 97 3HG2 VAL 19 3HG2 VAL 19 -0.090 -21.905 -8.882 98 1HN ABA 20 HN ABA 20 -2.792 -17.934 -5.974 99 HA ABA 20 HA ABA 20 -1.780 -15.322 -5.744 100 1HB ABA 20 1HB ABA 20 -3.358 -17.150 -3.917 101 2HB ABA 20 2HB ABA 20 -3.930 -15.980 -5.047 102 1HG ABA 20 1HG ABA 20 -3.842 -14.370 -3.309 103 2HG ABA 20 2HG ABA 20 -2.148 -14.724 -2.999 104 3HG ABA 20 3HG ABA 20 -3.387 -15.661 -2.225 105 H MET 21 H MET 21 0.381 -15.131 -5.534 106 HA MET 21 HA MET 21 1.583 -16.214 -3.023 107 1HB MET 21 2HB MET 21 3.764 -16.259 -4.253 108 2HB MET 21 1HB MET 21 2.595 -17.392 -4.889 109 1HG MET 21 2HG MET 21 2.095 -15.975 -6.768 110 2HG MET 21 1HG MET 21 3.038 -14.659 -6.141 111 1HE MET 21 2HE MET 21 5.745 -15.452 -5.390 112 2HE MET 21 1HE MET 21 5.527 -17.206 -5.318 113 3HE MET 21 3HE MET 21 6.653 -16.511 -6.473 114 H HIS 22 H HIS 22 2.074 -14.683 -1.668 115 HA HIS 22 HA HIS 22 1.890 -11.952 -2.360 116 1HB HIS 22 2HB HIS 22 1.608 -12.830 -0.123 117 2HB HIS 22 1HB HIS 22 3.351 -13.216 -0.071 118 HD1 HIS 22 HD1 HIS 22 3.103 -10.066 -1.673 119 HD2 HIS 22 HD2 HIS 22 2.804 -11.382 2.257 120 HE1 HIS 22 HE1 HIS 22 3.503 -8.158 -0.151 121 H ILE 23 H ILE 23 3.362 -10.885 -3.656 122 HA ILE 23 HA ILE 23 6.051 -11.993 -3.969 123 HB ILE 23 HB ILE 23 4.091 -11.305 -5.766 124 1HG1 ILE 23 2HG1 ILE 23 6.288 -10.974 -7.273 125 2HG1 ILE 23 1HG1 ILE 23 7.030 -11.727 -5.891 126 1HG2 ILE 23 1HG2 ILE 23 4.620 -8.847 -4.984 127 2HG2 ILE 23 3HG2 ILE 23 5.971 -8.973 -6.072 128 3HG2 ILE 23 2HG2 ILE 23 4.324 -9.148 -6.679 129 1HD1 ILE 23 1HD1 ILE 23 4.902 -13.404 -6.189 130 2HD1 ILE 23 3HD1 ILE 23 5.064 -12.871 -7.851 131 3HD1 ILE 23 2HD1 ILE 23 6.405 -13.659 -7.054 132 H GLU 24 H GLU 24 5.137 -10.351 -1.710 133 HA GLU 24 HA GLU 24 5.776 -7.713 -1.660 134 1HB GLU 24 2HB GLU 24 5.674 -9.665 0.408 135 2HB GLU 24 1HB GLU 24 7.354 -9.224 0.453 136 1HG GLU 24 2HG GLU 24 5.169 -7.088 0.569 137 2HG GLU 24 1HG GLU 24 5.857 -7.829 1.999 138 H SER 25 H SER 25 7.888 -10.268 -1.794 139 HA SER 25 HA SER 25 10.427 -9.547 -1.602 140 1HB SER 25 2HB SER 25 9.551 -10.953 -4.148 141 2HB SER 25 1HB SER 25 10.834 -11.462 -3.038 142 HG SER 25 HG SER 25 9.310 -12.553 -2.011 143 H LEU 26 H LEU 26 8.522 -8.832 -4.251 144 HA LEU 26 HA LEU 26 10.448 -6.820 -5.296 145 1HB LEU 26 2HB LEU 26 8.533 -7.261 -7.336 146 2HB LEU 26 1HB LEU 26 10.225 -7.689 -7.375 147 HG LEU 26 HG LEU 26 8.146 -9.350 -6.054 148 1HD1 LEU 26 3HD1 LEU 26 9.001 -9.337 -9.011 149 2HD1 LEU 26 2HD1 LEU 26 8.144 -10.695 -8.315 150 3HD1 LEU 26 1HD1 LEU 26 7.377 -9.120 -8.384 151 1HD2 LEU 26 3HD2 LEU 26 10.714 -9.828 -5.751 152 2HD2 LEU 26 2HD2 LEU 26 9.795 -11.198 -6.365 153 3HD2 LEU 26 1HD2 LEU 26 10.759 -10.222 -7.453 154 H ASP 27 H ASP 27 7.118 -7.507 -4.529 155 HA ASP 27 HA ASP 27 6.671 -4.609 -4.405 156 1HB ASP 27 2HB ASP 27 5.299 -6.389 -6.443 157 2HB ASP 27 1HB ASP 27 4.456 -4.970 -5.851 158 H SER 28 H SER 28 4.205 -7.055 -4.684 159 HA SER 28 HA SER 28 3.500 -6.821 -1.799 160 1HB SER 28 2HB SER 28 1.707 -5.429 -1.959 161 2HB SER 28 1HB SER 28 2.674 -4.748 -3.258 162 HG SER 28 HG SER 28 1.284 -5.506 -4.702 163 H TYR 29 H TYR 29 0.757 -7.488 -2.938 164 HA TYR 29 HA TYR 29 1.367 -10.428 -3.132 165 1HB TYR 29 2HB TYR 29 -0.301 -10.410 -1.460 166 2HB TYR 29 1HB TYR 29 -0.969 -8.883 -2.043 167 HD1 TYR 29 HD1 TYR 29 -0.486 -12.342 -3.459 168 HD2 TYR 29 HD2 TYR 29 -3.203 -9.110 -2.857 169 HE1 TYR 29 HE1 TYR 29 -2.187 -13.515 -4.698 170 HE2 TYR 29 HE2 TYR 29 -4.894 -10.325 -4.081 171 HH TYR 29 HH TYR 29 -4.210 -13.364 -5.727 172 H THR 30 H THR 30 0.967 -11.637 -4.744 173 HA THR 30 HA THR 30 -0.664 -10.573 -6.908 174 HB THR 30 HB THR 30 1.932 -9.941 -6.715 175 HG1 THR 30 HG1 THR 30 1.305 -10.421 -9.317 176 1HG2 THR 30 2HG2 THR 30 2.621 -12.425 -7.022 177 2HG2 THR 30 1HG2 THR 30 2.005 -12.332 -8.662 178 3HG2 THR 30 3HG2 THR 30 3.333 -11.291 -8.159 179 H CYS 31 H CYS 31 -0.346 -12.272 -8.779 180 HA CYS 31 HA CYS 31 -0.586 -14.971 -7.522 181 1HB CYS 31 2HB CYS 31 -2.569 -13.413 -8.924 182 2HB CYS 31 1HB CYS 31 -2.142 -14.750 -9.953 183 H ASN 32 H ASN 32 0.113 -16.676 -8.878 184 HA ASN 32 HA ASN 32 2.078 -15.875 -11.025 185 1HB ASN 32 2HB ASN 32 2.891 -17.200 -8.884 186 2HB ASN 32 1HB ASN 32 2.006 -18.563 -9.548 187 1HD2 ASN 32 2HD2 ASN 32 4.745 -19.298 -11.642 188 2HD2 ASN 32 1HD2 ASN 32 3.532 -19.902 -10.614 189 H CYS 33 H CYS 33 0.821 -15.820 -12.690 190 HA CYS 33 HA CYS 33 -1.301 -17.767 -13.074 191 1HB CYS 33 2HB CYS 33 -0.292 -15.570 -14.969 192 2HB CYS 33 1HB CYS 33 -1.760 -16.446 -15.051 193 H VAL 34 H VAL 34 -1.436 -18.800 -15.280 194 HA VAL 34 HA VAL 34 0.898 -20.458 -15.465 195 HB VAL 34 HB VAL 34 -1.479 -21.201 -15.876 196 1HG1 VAL 34 2HG1 VAL 34 -1.942 -19.082 -17.255 197 2HG1 VAL 34 1HG1 VAL 34 -1.616 -20.138 -18.626 198 3HG1 VAL 34 3HG1 VAL 34 -2.831 -20.582 -17.455 199 1HG2 VAL 34 1HG2 VAL 34 0.470 -22.540 -16.926 200 2HG2 VAL 34 3HG2 VAL 34 -1.136 -22.792 -17.585 201 3HG2 VAL 34 2HG2 VAL 34 -0.006 -21.789 -18.452 202 H ILE 35 H ILE 35 1.905 -20.985 -17.290 203 HA ILE 35 HA ILE 35 3.452 -18.916 -18.428 204 HB ILE 35 HB ILE 35 4.259 -21.176 -18.457 205 1HG1 ILE 35 2HG1 ILE 35 3.628 -20.803 -21.397 206 2HG1 ILE 35 1HG1 ILE 35 4.618 -19.625 -20.575 207 1HG2 ILE 35 3HG2 ILE 35 1.630 -21.804 -19.817 208 2HG2 ILE 35 2HG2 ILE 35 2.991 -22.879 -20.044 209 3HG2 ILE 35 1HG2 ILE 35 2.382 -22.588 -18.435 210 1HD1 ILE 35 3HD1 ILE 35 5.210 -22.615 -20.673 211 2HD1 ILE 35 2HD1 ILE 35 6.033 -21.384 -21.609 212 3HD1 ILE 35 1HD1 ILE 35 6.203 -21.410 -19.864 213 H GLY 36 H GLY 36 0.372 -19.988 -19.164 214 1HA GLY 36 2HA GLY 36 0.293 -18.734 -21.814 215 2HA GLY 36 1HA GLY 36 -1.008 -19.674 -21.109 216 H TYR 37 H TYR 37 -0.778 -18.011 -18.593 217 HA TYR 37 HA TYR 37 -2.200 -15.558 -19.492 218 1HB TYR 37 2HB TYR 37 -2.570 -16.989 -16.892 219 2HB TYR 37 1HB TYR 37 -3.681 -15.876 -17.686 220 HD1 TYR 37 HD2 TYR 37 -3.376 -17.447 -20.513 221 HD2 TYR 37 HD1 TYR 37 -4.326 -18.639 -16.564 222 HE1 TYR 37 HE2 TYR 37 -4.669 -19.283 -21.381 223 HE2 TYR 37 HE1 TYR 37 -5.648 -20.509 -17.472 224 HH TYR 37 HH TYR 37 -6.745 -21.148 -19.530 225 H SER 38 H SER 38 -1.221 -13.724 -19.089 226 HA SER 38 HA SER 38 0.639 -13.734 -16.760 227 1HB SER 38 2HB SER 38 1.889 -14.082 -18.930 228 2HB SER 38 1HB SER 38 1.284 -12.525 -19.514 229 HG SER 38 HG SER 38 3.277 -13.029 -17.742 230 H GLY 39 H GLY 39 1.415 -11.034 -17.772 231 1HA GLY 39 2HA GLY 39 0.782 -8.793 -17.546 232 2HA GLY 39 1HA GLY 39 -0.905 -9.294 -17.466 233 H ASP 40 H ASP 40 0.319 -11.226 -15.263 234 HA ASP 40 HA ASP 40 1.114 -10.959 -12.979 235 1HB ASP 40 2HB ASP 40 1.324 -8.410 -13.328 236 2HB ASP 40 1HB ASP 40 -0.381 -8.329 -12.920 237 H ARG 41 H ARG 41 -1.908 -10.973 -14.407 238 HA ARG 41 HA ARG 41 -3.174 -11.891 -11.926 239 1HB ARG 41 2HB ARG 41 -3.593 -9.368 -12.906 240 2HB ARG 41 1HB ARG 41 -4.780 -10.217 -13.851 241 1HG ARG 41 2HG ARG 41 -4.647 -10.752 -10.944 242 2HG ARG 41 1HG ARG 41 -5.276 -9.209 -11.502 243 1HD ARG 41 2HD ARG 41 -6.419 -11.272 -13.088 244 2HD ARG 41 1HD ARG 41 -6.655 -11.639 -11.394 245 HE ARG 41 HE ARG 41 -7.473 -9.045 -12.602 246 1HH1 ARG 41 2HH1 ARG 41 -8.104 -8.124 -10.456 247 2HH1 ARG 41 1HH1 ARG 41 -9.421 -8.971 -9.683 248 1HH2 ARG 41 1HH2 ARG 41 -8.921 -11.793 -11.695 249 2HH2 ARG 41 2HH2 ARG 41 -9.896 -11.113 -10.434 250 H CYS 42 H CYS 42 -2.419 -12.533 -15.032 251 HA CYS 42 HA CYS 42 -2.922 -14.187 -16.417 252 1HB CYS 42 2HB CYS 42 -5.335 -15.332 -15.036 253 2HB CYS 42 1HB CYS 42 -3.910 -16.167 -15.569 254 H GLN 43 H GLN 43 -3.998 -11.701 -16.304 255 HA GLN 43 HA GLN 43 -6.839 -11.816 -17.072 256 1HB GLN 43 2HB GLN 43 -6.557 -9.339 -17.199 257 2HB GLN 43 1HB GLN 43 -6.017 -9.990 -15.653 258 1HG GLN 43 2HG GLN 43 -3.780 -10.051 -17.462 259 2HG GLN 43 1HG GLN 43 -4.547 -8.476 -17.581 260 1HE2 GLN 43 2HE2 GLN 43 -2.045 -9.098 -14.678 261 2HE2 GLN 43 1HE2 GLN 43 -2.168 -10.120 -16.055 262 H THR 44 H THR 44 -3.821 -11.836 -18.446 263 HA THR 44 HA THR 44 -4.922 -11.416 -21.205 264 HB THR 44 HB THR 44 -3.181 -9.817 -20.185 265 HG1 THR 44 HG1 THR 44 -1.893 -10.797 -22.393 266 1HG2 THR 44 2HG2 THR 44 -1.823 -11.740 -19.216 267 2HG2 THR 44 1HG2 THR 44 -1.129 -11.908 -20.817 268 3HG2 THR 44 3HG2 THR 44 -0.954 -10.384 -19.926 269 H ARG 45 H ARG 45 -5.757 -13.449 -20.961 270 HA ARG 45 HA ARG 45 -4.138 -15.697 -20.286 271 1HB ARG 45 2HB ARG 45 -6.759 -15.794 -21.834 272 2HB ARG 45 1HB ARG 45 -6.101 -16.941 -20.725 273 1HG ARG 45 2HG ARG 45 -6.320 -15.468 -18.827 274 2HG ARG 45 1HG ARG 45 -6.948 -14.176 -19.811 275 1HD ARG 45 2HD ARG 45 -8.378 -16.838 -19.441 276 2HD ARG 45 1HD ARG 45 -8.711 -15.381 -18.521 277 HE ARG 45 HE ARG 45 -10.271 -15.348 -20.333 278 1HH1 ARG 45 2HH1 ARG 45 -8.428 -13.056 -20.869 279 2HH1 ARG 45 1HH1 ARG 45 -8.186 -13.189 -22.582 280 1HH2 ARG 45 1HH2 ARG 45 -9.428 -16.486 -22.564 281 2HH2 ARG 45 2HH2 ARG 45 -8.766 -15.272 -23.607 282 H ASP 46 H ASP 46 -2.429 -15.456 -21.644 283 HA ASP 46 HA ASP 46 -2.951 -15.090 -24.468 284 1HB ASP 46 2HB ASP 46 -0.855 -14.098 -23.385 285 2HB ASP 46 1HB ASP 46 -0.303 -15.729 -23.043 286 H LEU 47 H LEU 47 -4.209 -17.252 -23.563 287 HA LEU 47 HA LEU 47 -4.256 -19.583 -23.218 288 1HB LEU 47 2HB LEU 47 -4.244 -19.103 -26.205 289 2HB LEU 47 1HB LEU 47 -5.090 -20.380 -25.372 290 HG LEU 47 HG LEU 47 -5.643 -17.381 -24.986 291 1HD1 LEU 47 1HD1 LEU 47 -6.312 -18.350 -27.213 292 2HD1 LEU 47 3HD1 LEU 47 -7.356 -19.480 -26.362 293 3HD1 LEU 47 2HD1 LEU 47 -7.660 -17.751 -26.261 294 1HD2 LEU 47 2HD2 LEU 47 -6.718 -19.884 -23.646 295 2HD2 LEU 47 1HD2 LEU 47 -6.414 -18.300 -22.945 296 3HD2 LEU 47 3HD2 LEU 47 -7.829 -18.563 -23.940 297 H ARG 48 HN ARG 48 -1.228 -19.217 -23.431 298 HA ARG 48 HA ARG 48 -0.678 -21.909 -24.552 299 1HB ARG 48 2HB ARG 48 1.742 -20.940 -25.002 300 2HB ARG 48 1HB ARG 48 0.460 -20.477 -26.091 301 1HG ARG 48 2HG ARG 48 0.552 -18.309 -25.526 302 2HG ARG 48 1HG ARG 48 0.605 -18.628 -23.818 303 1HD ARG 48 2HD ARG 48 2.672 -17.831 -23.851 304 2HD ARG 48 1HD ARG 48 3.187 -19.337 -24.598 305 HE ARG 48 HE ARG 48 2.336 -16.898 -26.133 306 1HH1 ARG 48 1HH1 ARG 48 2.382 -19.266 -27.739 307 2HH1 ARG 48 2HH1 ARG 48 3.991 -19.385 -28.355 308 1HH2 ARG 48 1HH2 ARG 48 5.139 -17.138 -25.864 309 2HH2 ARG 48 2HH2 ARG 48 5.670 -18.074 -27.221 No H/Q in entry = 309 No H/Q in entry = 309
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