NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
16869 | 2aya | 6869 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 1H MET 1 H MET 1 -26.014 17.405 0.905 2 HA MET 1 HA MET 1 -28.864 18.072 0.865 3 1HB MET 1 1HB MET 1 -27.461 15.751 -0.545 4 2HB MET 1 2HB MET 1 -29.209 16.030 -0.445 5 1HG MET 1 1HG MET 1 -27.116 17.654 -1.905 6 2HG MET 1 2HG MET 1 -28.510 16.827 -2.587 7 1HE MET 1 1HE MET 1 -31.487 19.184 -1.795 8 2HE MET 1 2HE MET 1 -30.897 17.823 -2.769 9 3HE MET 1 3HE MET 1 -31.045 17.658 -1.002 10 H LYS 2 H LYS 2 -27.961 14.725 1.175 11 HA LYS 2 HA LYS 2 -27.474 14.732 4.050 12 1HB LYS 2 1HB LYS 2 -26.343 12.607 3.557 13 2HB LYS 2 2HB LYS 2 -27.968 12.607 2.877 14 1HG LYS 2 1HG LYS 2 -27.133 12.918 0.631 15 2HG LYS 2 2HG LYS 2 -25.518 13.337 1.208 16 1HD LYS 2 1HD LYS 2 -25.251 11.028 2.107 17 2HD LYS 2 2HD LYS 2 -26.799 10.588 1.338 18 1HE LYS 2 1HE LYS 2 -25.887 11.290 -0.869 19 2HE LYS 2 2HE LYS 2 -24.385 11.807 -0.097 20 1HZ LYS 2 1HZ LYS 2 -23.968 9.515 0.508 21 2HZ LYS 2 2HZ LYS 2 -25.356 9.017 -0.233 22 3HZ LYS 2 3HZ LYS 2 -24.147 9.687 -1.108 23 H ALA 3 H ALA 3 -25.130 14.337 4.730 24 HA ALA 3 HA ALA 3 -23.369 16.408 3.601 25 1HB ALA 3 1HB ALA 3 -21.856 15.657 5.417 26 2HB ALA 3 2HB ALA 3 -23.477 15.994 6.060 27 3HB ALA 3 3HB ALA 3 -22.950 14.315 5.795 28 H LEU 4 H LEU 4 -21.117 15.731 3.018 29 HA LEU 4 HA LEU 4 -20.840 12.978 1.955 30 1HB LEU 4 1HB LEU 4 -20.379 15.562 0.425 31 2HB LEU 4 2HB LEU 4 -19.327 14.184 0.185 32 HG LEU 4 HG LEU 4 -20.856 14.158 -1.560 33 1HD1 LEU 4 1HD1 LEU 4 -21.874 12.000 0.317 34 2HD1 LEU 4 2HD1 LEU 4 -21.824 11.986 -1.457 35 3HD1 LEU 4 3HD1 LEU 4 -20.312 11.957 -0.542 36 1HD2 LEU 4 1HD2 LEU 4 -23.256 14.103 -1.404 37 2HD2 LEU 4 2HD2 LEU 4 -23.201 14.155 0.371 38 3HD2 LEU 4 3HD2 LEU 4 -22.640 15.547 -0.586 39 H GLU 5 H GLU 5 -18.691 15.832 1.911 40 HA GLU 5 HA GLU 5 -16.818 16.352 2.905 41 1HB GLU 5 1HB GLU 5 -18.677 16.525 4.663 42 2HB GLU 5 2HB GLU 5 -17.893 15.190 5.471 43 1HG GLU 5 1HG GLU 5 -16.404 17.752 4.677 44 2HG GLU 5 2HG GLU 5 -17.381 17.661 6.133 45 H HIS 6 H HIS 6 -17.125 13.289 2.098 46 HA HIS 6 HA HIS 6 -14.786 12.295 3.652 47 1HB HIS 6 1HB HIS 6 -15.563 10.198 3.596 48 2HB HIS 6 2HB HIS 6 -17.092 11.060 3.637 49 HD1 HIS 6 HD1 HIS 6 -15.666 8.218 1.952 50 HD2 HIS 6 HD2 HIS 6 -17.733 11.687 0.669 51 HE1 HIS 6 HE1 HIS 6 -16.216 7.904 -0.562 52 HE2 HIS 6 HE2 HIS 6 -17.455 10.067 -1.291 53 H GLU 7 H GLU 7 -15.551 13.490 0.490 54 HA GLU 7 HA GLU 7 -13.519 11.967 -0.941 55 1HB GLU 7 1HB GLU 7 -14.934 14.636 -1.488 56 2HB GLU 7 2HB GLU 7 -13.711 13.939 -2.526 57 1HG GLU 7 1HG GLU 7 -15.777 13.459 -3.509 58 2HG GLU 7 2HG GLU 7 -15.115 11.941 -2.904 59 H LYS 8 H LYS 8 -13.831 15.183 0.570 60 HA LYS 8 HA LYS 8 -12.486 16.827 1.109 61 1HB LYS 8 1HB LYS 8 -10.416 14.773 1.944 62 2HB LYS 8 2HB LYS 8 -10.694 16.418 2.536 63 1HG LYS 8 1HG LYS 8 -12.905 15.653 3.465 64 2HG LYS 8 2HG LYS 8 -12.478 13.994 2.983 65 1HD LYS 8 1HD LYS 8 -10.337 14.280 4.326 66 2HD LYS 8 2HD LYS 8 -11.011 15.775 4.966 67 1HE LYS 8 1HE LYS 8 -12.169 12.982 5.303 68 2HE LYS 8 2HE LYS 8 -11.267 13.898 6.512 69 1HZ LYS 8 1HZ LYS 8 -13.135 15.596 6.317 70 2HZ LYS 8 2HZ LYS 8 -13.962 14.499 5.477 71 3HZ LYS 8 3HZ LYS 8 -13.500 14.186 7.034 72 H THR 9 H THR 9 -9.396 15.518 0.494 73 HA THR 9 HA THR 9 -9.409 16.495 -2.301 74 HB THR 9 HB THR 9 -6.974 16.708 -1.902 75 HG1 THR 9 1HG THR 9 -7.614 16.963 0.853 76 1HG2 THR 9 1HG2 THR 9 -8.857 18.372 -0.149 77 2HG2 THR 9 2HG2 THR 9 -7.244 18.874 -0.695 78 3HG2 THR 9 3HG2 THR 9 -8.542 18.622 -1.884 79 HA PRO 10 HA PRO 10 -8.754 11.922 -2.535 80 1HB PRO 10 1HB PRO 10 -10.201 11.413 -4.786 81 2HB PRO 10 2HB PRO 10 -10.975 11.583 -3.180 82 1HG PRO 10 1HG PRO 10 -10.724 13.679 -5.359 83 2HG PRO 10 2HG PRO 10 -12.178 13.236 -4.414 84 1HD PRO 10 1HD PRO 10 -10.557 15.369 -3.785 85 2HD PRO 10 2HD PRO 10 -11.436 14.441 -2.546 86 H GLU 11 H GLU 11 -8.232 14.744 -4.441 87 HA GLU 11 HA GLU 11 -6.803 13.572 -6.696 88 1HB GLU 11 1HB GLU 11 -6.886 16.344 -5.482 89 2HB GLU 11 2HB GLU 11 -6.176 15.974 -7.057 90 1HG GLU 11 1HG GLU 11 -8.290 15.668 -8.066 91 2HG GLU 11 2HG GLU 11 -9.111 15.410 -6.525 92 H LEU 12 H LEU 12 -6.060 15.159 -3.576 93 HA LEU 12 HA LEU 12 -3.211 15.229 -3.924 94 1HB LEU 12 1HB LEU 12 -4.808 16.565 -2.290 95 2HB LEU 12 2HB LEU 12 -4.626 15.178 -1.234 96 HG LEU 12 HG LEU 12 -3.110 16.851 -0.536 97 1HD1 LEU 12 1HD1 LEU 12 -2.099 14.550 -0.591 98 2HD1 LEU 12 2HD1 LEU 12 -1.290 15.001 -2.115 99 3HD1 LEU 12 3HD1 LEU 12 -0.938 15.884 -0.629 100 1HD2 LEU 12 1HD2 LEU 12 -2.034 17.054 -3.375 101 2HD2 LEU 12 2HD2 LEU 12 -3.102 18.226 -2.569 102 3HD2 LEU 12 3HD2 LEU 12 -1.463 17.960 -1.963 103 H ALA 13 H ALA 13 -5.521 12.995 -2.348 104 HA ALA 13 HA ALA 13 -3.462 11.276 -1.302 105 1HB ALA 13 1HB ALA 13 -5.764 11.342 -0.346 106 2HB ALA 13 2HB ALA 13 -6.415 10.681 -1.866 107 3HB ALA 13 3HB ALA 13 -5.331 9.698 -0.859 108 H ALA 14 H ALA 14 -5.292 11.288 -4.387 109 HA ALA 14 HA ALA 14 -4.111 8.751 -5.200 110 1HB ALA 14 1HB ALA 14 -6.305 9.458 -5.991 111 2HB ALA 14 2HB ALA 14 -5.568 10.854 -6.824 112 3HB ALA 14 3HB ALA 14 -5.166 9.188 -7.326 113 H LYS 15 H LYS 15 -3.243 12.184 -5.568 114 HA LYS 15 HA LYS 15 -1.120 11.799 -7.527 115 1HB LYS 15 1HB LYS 15 -1.772 13.887 -5.421 116 2HB LYS 15 2HB LYS 15 -0.227 13.921 -6.249 117 1HG LYS 15 1HG LYS 15 -1.173 14.343 -8.355 118 2HG LYS 15 2HG LYS 15 -2.817 13.917 -7.833 119 1HD LYS 15 1HD LYS 15 -2.993 15.857 -6.441 120 2HD LYS 15 2HD LYS 15 -1.252 16.194 -6.552 121 1HE LYS 15 1HE LYS 15 -1.445 16.730 -8.915 122 2HE LYS 15 2HE LYS 15 -3.177 16.341 -8.912 123 1HZ LYS 15 1HZ LYS 15 -1.987 18.422 -7.177 124 2HZ LYS 15 2HZ LYS 15 -2.593 18.764 -8.653 125 3HZ LYS 15 3HZ LYS 15 -3.581 18.172 -7.485 126 H LEU 16 H LEU 16 -1.276 11.922 -3.952 127 HA LEU 16 HA LEU 16 1.417 11.336 -3.394 128 1HB LEU 16 1HB LEU 16 -0.241 12.228 -1.815 129 2HB LEU 16 2HB LEU 16 -1.229 10.779 -1.979 130 HG LEU 16 HG LEU 16 0.538 9.432 -0.910 131 1HD1 LEU 16 1HD1 LEU 16 1.934 12.129 -0.631 132 2HD1 LEU 16 2HD1 LEU 16 2.405 10.618 0.186 133 3HD1 LEU 16 3HD1 LEU 16 2.495 10.727 -1.558 134 1HD2 LEU 16 1HD2 LEU 16 -1.355 10.511 0.343 135 2HD2 LEU 16 2HD2 LEU 16 0.083 10.281 1.333 136 3HD2 LEU 16 3HD2 LEU 16 -0.297 11.897 0.689 137 H ALA 17 H ALA 17 -1.407 9.149 -3.944 138 HA ALA 17 HA ALA 17 0.019 6.752 -3.610 139 1HB ALA 17 1HB ALA 17 -2.531 7.096 -3.855 140 2HB ALA 17 2HB ALA 17 -2.259 7.140 -5.593 141 3HB ALA 17 3HB ALA 17 -1.834 5.681 -4.680 142 H ALA 18 H ALA 18 -0.133 8.964 -6.409 143 HA ALA 18 HA ALA 18 0.825 7.124 -8.357 144 1HB ALA 18 1HB ALA 18 1.373 10.120 -8.337 145 2HB ALA 18 2HB ALA 18 1.325 9.024 -9.708 146 3HB ALA 18 3HB ALA 18 -0.182 9.409 -8.834 147 H GLU 19 H GLU 19 2.513 9.419 -6.146 148 HA GLU 19 HA GLU 19 5.168 8.674 -6.918 149 1HB GLU 19 1HB GLU 19 3.949 9.898 -4.440 150 2HB GLU 19 2HB GLU 19 5.648 9.392 -4.475 151 1HG GLU 19 1HG GLU 19 5.838 10.823 -6.625 152 2HG GLU 19 2HG GLU 19 4.292 11.528 -6.134 153 H ALA 20 H ALA 20 2.924 7.298 -4.469 154 HA ALA 20 HA ALA 20 4.804 5.477 -3.340 155 1HB ALA 20 1HB ALA 20 2.871 4.251 -2.501 156 2HB ALA 20 2HB ALA 20 2.591 5.998 -2.335 157 3HB ALA 20 3HB ALA 20 1.791 5.081 -3.632 158 H ILE 21 H ILE 21 2.599 5.175 -6.096 159 HA ILE 21 HA ILE 21 3.341 2.467 -6.770 160 HB ILE 21 HB ILE 21 1.901 4.804 -8.123 161 1HG1 ILE 21 1HG1 ILE 21 0.814 2.054 -7.453 162 2HG1 ILE 21 2HG1 ILE 21 0.859 3.365 -6.281 163 1HG2 ILE 21 1HG2 ILE 21 2.842 3.868 -10.067 164 2HG2 ILE 21 2HG2 ILE 21 2.562 2.221 -9.517 165 3HG2 ILE 21 3HG2 ILE 21 1.199 3.223 -10.013 166 1HD1 ILE 21 1HD1 ILE 21 -0.722 3.307 -8.867 167 2HD1 ILE 21 2HD1 ILE 21 -1.317 3.359 -7.199 168 3HD1 ILE 21 3HD1 ILE 21 -0.497 4.775 -7.881 169 H GLU 22 H GLU 22 4.589 5.647 -7.694 170 HA GLU 22 HA GLU 22 6.268 4.758 -9.832 171 1HB GLU 22 1HB GLU 22 5.390 7.059 -9.508 172 2HB GLU 22 2HB GLU 22 6.320 7.209 -8.026 173 1HG GLU 22 1HG GLU 22 7.347 8.450 -9.816 174 2HG GLU 22 2HG GLU 22 8.409 7.166 -9.255 175 H ARG 23 H ARG 23 6.453 4.388 -6.418 176 HA ARG 23 HA ARG 23 9.373 3.836 -6.489 177 1HB ARG 23 1HB ARG 23 8.100 5.506 -4.803 178 2HB ARG 23 2HB ARG 23 7.751 4.012 -3.935 179 1HG ARG 23 1HG ARG 23 10.229 3.512 -3.955 180 2HG ARG 23 2HG ARG 23 10.467 5.048 -4.812 181 1HD ARG 23 1HD ARG 23 9.188 6.109 -2.782 182 2HD ARG 23 2HD ARG 23 9.567 4.586 -1.971 183 HE ARG 23 HE ARG 23 11.893 5.055 -2.143 184 1HH1 ARG 23 2HH2 ARG 23 9.938 7.828 -3.415 185 2HH1 ARG 23 1HH2 ARG 23 11.320 8.721 -3.839 186 1HH2 ARG 23 2HH1 ARG 23 13.646 6.292 -2.698 187 2HH2 ARG 23 1HH1 ARG 23 13.467 7.900 -3.367 188 H ASP 24 H ASP 24 6.252 2.475 -5.378 189 HA ASP 24 HA ASP 24 7.439 -0.024 -4.486 190 1HB ASP 24 1HB ASP 24 5.727 1.215 -3.146 191 2HB ASP 24 2HB ASP 24 4.576 0.955 -4.411 192 HA PRO 25 HA PRO 25 6.045 -1.858 -8.426 193 1HB PRO 25 1HB PRO 25 6.893 -4.430 -7.905 194 2HB PRO 25 2HB PRO 25 7.926 -3.143 -8.578 195 1HG PRO 25 1HG PRO 25 7.707 -4.075 -5.704 196 2HG PRO 25 2HG PRO 25 9.184 -3.693 -6.634 197 1HD PRO 25 1HD PRO 25 8.039 -1.957 -4.891 198 2HD PRO 25 2HD PRO 25 8.812 -1.371 -6.398 199 H TRP 26 H TRP 26 5.248 -2.947 -5.076 200 HA TRP 26 HA TRP 26 3.167 -4.732 -6.081 201 1HB TRP 26 1HB TRP 26 4.174 -5.203 -3.936 202 2HB TRP 26 2HB TRP 26 3.720 -3.625 -3.315 203 HD1 TRP 26 HD TRP 26 1.953 -3.919 -1.628 204 HE1 TRP 26 1HE TRP 26 -0.256 -5.172 -1.326 205 HE3 TRP 26 3HE TRP 26 2.098 -6.686 -5.919 206 HZ2 TRP 26 2HZ TRP 26 -1.697 -7.301 -2.750 207 HZ3 TRP 26 3HZ TRP 26 0.398 -8.413 -6.350 208 HH2 TRP 26 HH TRP 26 -1.507 -8.718 -4.791 209 H ALA 27 H ALA 27 3.155 -1.439 -4.563 210 HA ALA 27 HA ALA 27 0.402 -0.989 -4.733 211 1HB ALA 27 1HB ALA 27 2.080 0.610 -3.701 212 2HB ALA 27 2HB ALA 27 2.547 1.088 -5.333 213 3HB ALA 27 3HB ALA 27 0.897 1.394 -4.763 214 H ALA 28 H ALA 28 2.913 -0.605 -7.249 215 HA ALA 28 HA ALA 28 1.237 0.445 -9.298 216 1HB ALA 28 1HB ALA 28 3.125 -0.052 -10.730 217 2HB ALA 28 2HB ALA 28 3.817 0.401 -9.168 218 3HB ALA 28 3HB ALA 28 3.733 -1.302 -9.630 219 H GLN 29 H GLN 29 2.239 -2.895 -8.475 220 HA GLN 29 HA GLN 29 0.882 -4.192 -10.623 221 1HB GLN 29 1HB GLN 29 1.906 -5.090 -7.915 222 2HB GLN 29 2HB GLN 29 0.896 -6.171 -8.853 223 1HG GLN 29 1HG GLN 29 2.435 -5.914 -10.803 224 2HG GLN 29 2HG GLN 29 3.493 -4.910 -9.824 225 1HE2 GLN 29 1HE2 GLN 29 4.147 -7.469 -11.185 226 2HE2 GLN 29 2HE2 GLN 29 4.720 -8.514 -9.931 227 H VAL 30 H VAL 30 -0.263 -3.417 -7.280 228 HA VAL 30 HA VAL 30 -2.807 -4.616 -7.652 229 HB VAL 30 HB VAL 30 -1.858 -2.320 -5.845 230 1HG1 VAL 30 1HG1 VAL 30 -3.844 -2.783 -4.389 231 2HG1 VAL 30 2HG1 VAL 30 -4.275 -2.065 -5.939 232 3HG1 VAL 30 3HG1 VAL 30 -4.512 -3.805 -5.686 233 1HG2 VAL 30 1HG2 VAL 30 -2.457 -5.218 -5.161 234 2HG2 VAL 30 2HG2 VAL 30 -0.839 -4.571 -5.465 235 3HG2 VAL 30 3HG2 VAL 30 -1.761 -3.963 -4.091 236 H SER 31 H SER 31 -1.700 -1.303 -8.372 237 HA SER 31 HA SER 31 -4.342 -0.394 -9.081 238 1HB SER 31 1HB SER 31 -1.497 0.546 -9.534 239 2HB SER 31 2HB SER 31 -2.866 1.412 -10.262 240 HG SER 31 HG SER 31 -3.681 1.848 -8.238 241 H GLN 32 H GLN 32 -1.865 -2.237 -10.807 242 HA GLN 32 HA GLN 32 -3.059 -1.756 -13.429 243 1HB GLN 32 1HB GLN 32 -0.633 -2.229 -13.104 244 2HB GLN 32 2HB GLN 32 -1.037 -3.807 -12.427 245 1HG GLN 32 1HG GLN 32 -2.187 -4.350 -14.634 246 2HG GLN 32 2HG GLN 32 -1.472 -2.860 -15.270 247 1HE2 GLN 32 1HE2 GLN 32 0.725 -3.041 -16.047 248 2HE2 GLN 32 2HE2 GLN 32 1.674 -4.502 -15.789 249 H LEU 33 H LEU 33 -3.202 -4.200 -10.838 250 HA LEU 33 HA LEU 33 -4.947 -6.086 -12.195 251 1HB LEU 33 1HB LEU 33 -4.559 -5.465 -9.228 252 2HB LEU 33 2HB LEU 33 -5.526 -6.800 -9.857 253 HG LEU 33 HG LEU 33 -2.519 -6.502 -10.049 254 1HD1 LEU 33 1HD1 LEU 33 -4.259 -8.530 -8.606 255 2HD1 LEU 33 2HD1 LEU 33 -2.485 -8.514 -8.678 256 3HD1 LEU 33 3HD1 LEU 33 -3.340 -7.207 -7.852 257 1HD2 LEU 33 1HD2 LEU 33 -2.778 -8.852 -11.047 258 2HD2 LEU 33 2HD2 LEU 33 -4.469 -8.426 -11.359 259 3HD2 LEU 33 3HD2 LEU 33 -3.169 -7.481 -12.102 260 H SER 34 H SER 34 -5.351 -3.243 -10.396 261 HA SER 34 HA SER 34 -7.015 -1.802 -9.854 262 1HB SER 34 1HB SER 34 -8.520 -2.854 -12.263 263 2HB SER 34 2HB SER 34 -8.678 -1.271 -11.485 264 HG SER 34 HG SER 34 -6.181 -1.314 -12.041 265 H LEU 35 H LEU 35 -7.112 -3.234 -7.994 266 HA LEU 35 HA LEU 35 -9.161 -5.239 -7.718 267 1HB LEU 35 1HB LEU 35 -7.240 -3.847 -5.859 268 2HB LEU 35 2HB LEU 35 -8.644 -4.623 -5.146 269 HG LEU 35 HG LEU 35 -8.093 -6.777 -6.109 270 1HD1 LEU 35 1HD1 LEU 35 -5.903 -7.151 -7.214 271 2HD1 LEU 35 2HD1 LEU 35 -6.985 -6.145 -8.179 272 3HD1 LEU 35 3HD1 LEU 35 -5.654 -5.387 -7.264 273 1HD2 LEU 35 1HD2 LEU 35 -7.125 -6.230 -3.933 274 2HD2 LEU 35 2HD2 LEU 35 -6.005 -7.233 -4.851 275 3HD2 LEU 35 3HD2 LEU 35 -5.714 -5.490 -4.700 276 HA PRO 36 HA PRO 36 -12.601 -2.689 -6.737 277 1HB PRO 36 1HB PRO 36 -14.241 -4.291 -5.369 278 2HB PRO 36 2HB PRO 36 -13.739 -4.656 -7.035 279 1HG PRO 36 1HG PRO 36 -12.552 -5.815 -4.478 280 2HG PRO 36 2HG PRO 36 -13.095 -6.689 -5.943 281 1HD PRO 36 1HD PRO 36 -10.482 -5.955 -5.531 282 2HD PRO 36 2HD PRO 36 -11.213 -6.035 -7.154 283 H LYS 37 H LYS 37 -13.312 -4.033 -3.596 284 HA LYS 37 HA LYS 37 -12.018 -1.709 -2.254 285 1HB LYS 37 1HB LYS 37 -14.853 -2.278 -2.709 286 2HB LYS 37 2HB LYS 37 -14.516 -2.315 -0.990 287 1HG LYS 37 1HG LYS 37 -15.259 -0.127 -1.750 288 2HG LYS 37 2HG LYS 37 -13.662 -0.067 -0.998 289 1HD LYS 37 1HD LYS 37 -12.567 0.215 -3.115 290 2HD LYS 37 2HD LYS 37 -14.032 -0.207 -4.022 291 1HE LYS 37 1HE LYS 37 -15.143 1.824 -3.237 292 2HE LYS 37 2HE LYS 37 -13.774 2.203 -2.180 293 1HZ LYS 37 1HZ LYS 37 -12.395 2.517 -4.074 294 2HZ LYS 37 2HZ LYS 37 -13.581 2.066 -5.129 295 3HZ LYS 37 3HZ LYS 37 -13.734 3.445 -4.260 296 H LEU 38 H LEU 38 -13.853 -4.694 -1.261 297 HA LEU 38 HA LEU 38 -12.466 -4.794 1.242 298 1HB LEU 38 1HB LEU 38 -14.587 -6.075 0.730 299 2HB LEU 38 2HB LEU 38 -13.660 -7.129 -0.337 300 HG LEU 38 HG LEU 38 -12.182 -7.672 1.741 301 1HD1 LEU 38 1HD1 LEU 38 -13.075 -5.765 3.137 302 2HD1 LEU 38 2HD1 LEU 38 -14.646 -6.585 3.163 303 3HD1 LEU 38 3HD1 LEU 38 -13.231 -7.346 3.912 304 1HD2 LEU 38 1HD2 LEU 38 -15.083 -8.573 1.798 305 2HD2 LEU 38 2HD2 LEU 38 -13.802 -9.273 0.780 306 3HD2 LEU 38 3HD2 LEU 38 -13.696 -9.388 2.540 307 H VAL 39 H VAL 39 -11.890 -6.597 -1.808 308 HA VAL 39 HA VAL 39 -9.563 -7.948 -0.870 309 HB VAL 39 HB VAL 39 -10.233 -7.310 -3.772 310 1HG1 VAL 39 1HG1 VAL 39 -8.838 -9.719 -2.520 311 2HG1 VAL 39 2HG1 VAL 39 -9.147 -9.467 -4.249 312 3HG1 VAL 39 3HG1 VAL 39 -8.035 -8.399 -3.382 313 1HG2 VAL 39 1HG2 VAL 39 -12.288 -8.206 -2.889 314 2HG2 VAL 39 2HG2 VAL 39 -11.489 -9.514 -3.756 315 3HG2 VAL 39 3HG2 VAL 39 -11.427 -9.460 -1.981 316 H GLU 40 H GLU 40 -10.066 -4.768 -2.424 317 HA GLU 40 HA GLU 40 -7.296 -4.172 -2.899 318 1HB GLU 40 1HB GLU 40 -9.152 -2.778 -3.864 319 2HB GLU 40 2HB GLU 40 -9.566 -2.242 -2.238 320 1HG GLU 40 1HG GLU 40 -7.243 -1.349 -1.957 321 2HG GLU 40 2HG GLU 40 -6.891 -1.801 -3.618 322 H GLN 41 H GLN 41 -9.479 -3.623 -0.046 323 HA GLN 41 HA GLN 41 -7.527 -2.368 1.502 324 1HB GLN 41 1HB GLN 41 -10.114 -2.659 1.881 325 2HB GLN 41 2HB GLN 41 -9.651 -4.069 2.819 326 1HG GLN 41 1HG GLN 41 -8.450 -2.749 4.379 327 2HG GLN 41 2HG GLN 41 -8.279 -1.385 3.267 328 1HE2 GLN 41 1HE2 GLN 41 -10.310 -2.829 5.708 329 2HE2 GLN 41 2HE2 GLN 41 -11.519 -1.577 5.698 330 H VAL 42 H VAL 42 -8.067 -5.818 0.957 331 HA VAL 42 HA VAL 42 -6.251 -6.736 3.016 332 HB VAL 42 HB VAL 42 -7.537 -7.972 0.557 333 1HG1 VAL 42 1HG1 VAL 42 -5.409 -9.135 0.668 334 2HG1 VAL 42 2HG1 VAL 42 -5.580 -9.370 2.420 335 3HG1 VAL 42 3HG1 VAL 42 -6.678 -10.187 1.288 336 1HG2 VAL 42 1HG2 VAL 42 -8.700 -9.262 2.302 337 2HG2 VAL 42 2HG2 VAL 42 -7.717 -8.459 3.551 338 3HG2 VAL 42 3HG2 VAL 42 -8.881 -7.526 2.584 339 H ALA 43 H ALA 43 -5.849 -6.204 -0.551 340 HA ALA 43 HA ALA 43 -3.073 -6.754 -0.602 341 1HB ALA 43 1HB ALA 43 -4.748 -4.876 -2.330 342 2HB ALA 43 2HB ALA 43 -3.118 -5.441 -2.717 343 3HB ALA 43 3HB ALA 43 -4.453 -6.608 -2.626 344 H LEU 44 H LEU 44 -4.830 -3.844 0.242 345 HA LEU 44 HA LEU 44 -2.634 -2.021 0.320 346 1HB LEU 44 1HB LEU 44 -5.466 -2.018 1.315 347 2HB LEU 44 2HB LEU 44 -4.405 -0.753 1.836 348 HG LEU 44 HG LEU 44 -5.009 -1.354 -1.087 349 1HD1 LEU 44 1HD1 LEU 44 -6.043 0.795 0.819 350 2HD1 LEU 44 2HD1 LEU 44 -6.371 0.715 -0.927 351 3HD1 LEU 44 3HD1 LEU 44 -6.986 -0.544 0.153 352 1HD2 LEU 44 1HD2 LEU 44 -2.839 -0.203 -0.879 353 2HD2 LEU 44 2HD2 LEU 44 -4.055 0.878 -1.528 354 3HD2 LEU 44 3HD2 LEU 44 -3.574 1.029 0.175 355 H ASN 45 H ASN 45 -4.217 -4.056 2.840 356 HA ASN 45 HA ASN 45 -2.538 -2.734 4.889 357 1HB ASN 45 1HB ASN 45 -4.752 -4.792 5.019 358 2HB ASN 45 2HB ASN 45 -3.707 -4.463 6.400 359 1HD2 ASN 45 1HD2 ASN 45 -6.227 -3.115 4.407 360 2HD2 ASN 45 2HD2 ASN 45 -6.518 -1.690 5.420 361 H ALA 46 H ALA 46 -1.438 -4.627 2.554 362 HA ALA 46 HA ALA 46 0.290 -6.115 4.396 363 1HB ALA 46 1HB ALA 46 -1.449 -7.690 3.474 364 2HB ALA 46 2HB ALA 46 -1.045 -7.138 1.847 365 3HB ALA 46 3HB ALA 46 0.155 -8.042 2.795 366 H TRP 47 H TRP 47 2.288 -6.674 3.537 367 HA TRP 47 HA TRP 47 3.162 -5.058 1.175 368 1HB TRP 47 1HB TRP 47 5.424 -5.239 2.025 369 2HB TRP 47 2HB TRP 47 4.384 -4.319 3.089 370 HD1 TRP 47 HD TRP 47 3.788 -5.330 5.468 371 HE1 TRP 47 1HE TRP 47 5.108 -6.812 7.002 372 HE3 TRP 47 3HE TRP 47 6.811 -7.546 1.970 373 HZ2 TRP 47 2HZ TRP 47 7.300 -8.721 6.788 374 HZ3 TRP 47 3HZ TRP 47 8.518 -9.222 2.693 375 HH2 TRP 47 HH TRP 47 8.781 -9.809 5.055 376 H LYS 48 H LYS 48 4.078 -6.191 -0.446 377 HA LYS 48 HA LYS 48 3.338 -9.033 -0.475 378 1HB LYS 48 1HB LYS 48 2.509 -7.482 -2.192 379 2HB LYS 48 2HB LYS 48 4.105 -6.976 -2.580 380 1HG LYS 48 1HG LYS 48 4.031 -9.807 -2.918 381 2HG LYS 48 2HG LYS 48 2.568 -9.148 -3.683 382 1HD LYS 48 1HD LYS 48 3.999 -7.544 -4.949 383 2HD LYS 48 2HD LYS 48 5.432 -8.234 -4.171 384 1HE LYS 48 1HE LYS 48 4.987 -10.405 -5.249 385 2HE LYS 48 2HE LYS 48 3.552 -9.726 -6.047 386 1HZ LYS 48 1HZ LYS 48 6.237 -8.566 -6.406 387 2HZ LYS 48 2HZ LYS 48 5.705 -9.755 -7.383 388 3HZ LYS 48 3HZ LYS 48 4.907 -8.300 -7.316 389 H GLU 49 H GLU 49 4.795 -10.430 0.267 390 HA GLU 49 HA GLU 49 7.656 -10.016 -0.386 391 1HB GLU 49 1HB GLU 49 7.114 -10.871 1.866 392 2HB GLU 49 2HB GLU 49 6.217 -12.229 1.167 393 1HG GLU 49 1HG GLU 49 8.174 -13.193 0.216 394 2HG GLU 49 2HG GLU 49 9.113 -11.712 0.470 395 H GLU 50 H GLU 50 8.616 -11.607 -1.848 396 HA GLU 50 HA GLU 50 6.765 -13.259 -3.460 397 1HB GLU 50 1HB GLU 50 6.737 -11.184 -4.560 398 2HB GLU 50 2HB GLU 50 8.426 -10.878 -4.263 399 1HG GLU 50 1HG GLU 50 9.026 -12.655 -5.915 400 2HG GLU 50 2HG GLU 50 7.294 -12.901 -6.232 401 H SER 51 H SER 51 7.681 -15.117 -4.063 402 HA SER 51 HA SER 51 10.454 -15.745 -3.221 403 1HB SER 51 1HB SER 51 8.124 -17.663 -3.088 404 2HB SER 51 2HB SER 51 9.664 -17.746 -2.245 405 HG SER 51 HG SER 51 8.958 -16.074 -0.863 406 H ASP 52 H ASP 52 10.922 -18.068 -4.345 407 HA ASP 52 HA ASP 52 11.427 -17.736 -6.960 408 1HB ASP 52 1HB ASP 52 10.767 -20.296 -5.461 409 2HB ASP 52 2HB ASP 52 11.309 -20.302 -7.139 410 H ASN 53 H ASN 53 8.365 -19.094 -5.743 411 HA ASN 53 HA ASN 53 7.134 -18.735 -8.423 412 1HB ASN 53 1HB ASN 53 8.079 -21.074 -8.173 413 2HB ASN 53 2HB ASN 53 6.985 -21.313 -6.811 414 1HD2 ASN 53 1HD2 ASN 53 5.286 -22.584 -7.525 415 2HD2 ASN 53 2HD2 ASN 53 4.471 -22.344 -9.079 416 H ALA 54 H ALA 54 6.917 -17.498 -5.525 417 HA ALA 54 HA ALA 54 3.992 -17.849 -5.253 418 1HB ALA 54 1HB ALA 54 5.114 -19.437 -3.670 419 2HB ALA 54 2HB ALA 54 5.989 -18.079 -2.937 420 3HB ALA 54 3HB ALA 54 4.229 -18.165 -2.816 421 H VAL 55 H VAL 55 3.069 -16.282 -3.835 422 HA VAL 55 HA VAL 55 4.677 -13.846 -3.331 423 HB VAL 55 HB VAL 55 2.017 -13.844 -4.829 424 1HG1 VAL 55 1HG1 VAL 55 2.193 -11.933 -3.270 425 2HG1 VAL 55 2HG1 VAL 55 3.828 -11.622 -3.894 426 3HG1 VAL 55 3HG1 VAL 55 2.407 -11.377 -4.940 427 1HG2 VAL 55 1HG2 VAL 55 3.972 -14.344 -6.340 428 2HG2 VAL 55 2HG2 VAL 55 3.327 -12.734 -6.649 429 3HG2 VAL 55 3HG2 VAL 55 4.817 -12.937 -5.701 430 H CYS 56 H CYS 56 4.474 -13.483 -1.191 431 HA CYS 56 HA CYS 56 2.043 -14.544 0.199 432 1HB CYS 56 1HB CYS 56 4.929 -14.579 1.095 433 2HB CYS 56 2HB CYS 56 3.556 -14.889 2.169 434 HG CYS 56 HG CYS 56 5.042 -16.990 0.901 435 H LEU 57 H LEU 57 0.810 -12.861 0.591 436 HA LEU 57 HA LEU 57 1.914 -10.170 0.952 437 1HB LEU 57 1HB LEU 57 -0.846 -11.384 0.773 438 2HB LEU 57 2HB LEU 57 -0.657 -9.779 1.472 439 HG LEU 57 HG LEU 57 0.601 -10.462 -1.196 440 1HD1 LEU 57 1HD1 LEU 57 -2.077 -9.066 -0.934 441 2HD1 LEU 57 2HD1 LEU 57 -1.252 -9.675 -2.396 442 3HD1 LEU 57 3HD1 LEU 57 -1.934 -10.799 -1.211 443 1HD2 LEU 57 1HD2 LEU 57 -0.387 -7.768 -0.152 444 2HD2 LEU 57 2HD2 LEU 57 1.268 -8.328 0.098 445 3HD2 LEU 57 3HD2 LEU 57 0.639 -8.124 -1.535 446 H HIS 58 H HIS 58 2.903 -9.747 2.784 447 HA HIS 58 HA HIS 58 2.126 -10.935 5.379 448 1HB HIS 58 1HB HIS 58 4.146 -8.858 4.512 449 2HB HIS 58 2HB HIS 58 3.846 -9.228 6.206 450 HD1 HIS 58 HD1 HIS 58 5.696 -10.793 7.131 451 HD2 HIS 58 HD2 HIS 58 4.914 -11.180 2.988 452 HE1 HIS 58 HE1 HIS 58 7.344 -12.533 6.220 453 HE2 HIS 58 HE2 HIS 58 6.873 -12.814 3.750 454 H LEU 59 H LEU 59 0.118 -10.274 5.843 455 HA LEU 59 HA LEU 59 -0.790 -7.498 5.498 456 1HB LEU 59 1HB LEU 59 -2.168 -9.585 4.986 457 2HB LEU 59 2HB LEU 59 -2.044 -10.004 6.682 458 HG LEU 59 HG LEU 59 -3.178 -7.458 6.837 459 1HD1 LEU 59 1HD1 LEU 59 -4.411 -8.904 4.443 460 2HD1 LEU 59 2HD1 LEU 59 -5.066 -7.465 5.245 461 3HD1 LEU 59 3HD1 LEU 59 -3.528 -7.359 4.385 462 1HD2 LEU 59 1HD2 LEU 59 -3.978 -9.245 8.159 463 2HD2 LEU 59 2HD2 LEU 59 -5.357 -8.864 7.102 464 3HD2 LEU 59 3HD2 LEU 59 -4.308 -10.266 6.765 465 H ARG 60 H ARG 60 -0.943 -6.067 7.154 466 HA ARG 60 HA ARG 60 0.417 -6.519 9.631 467 1HB ARG 60 1HB ARG 60 -1.754 -4.512 8.868 468 2HB ARG 60 2HB ARG 60 -0.911 -4.477 10.406 469 1HG ARG 60 1HG ARG 60 0.488 -4.161 7.707 470 2HG ARG 60 2HG ARG 60 -0.100 -2.836 8.711 471 1HD ARG 60 1HD ARG 60 1.369 -3.887 10.600 472 2HD ARG 60 2HD ARG 60 2.188 -4.725 9.283 473 HE ARG 60 HE ARG 60 1.939 -1.767 9.700 474 1HH1 ARG 60 2HH2 ARG 60 3.813 -4.370 8.078 475 2HH1 ARG 60 1HH2 ARG 60 4.961 -3.229 7.445 476 1HH2 ARG 60 2HH1 ARG 60 3.645 -0.462 9.194 477 2HH2 ARG 60 1HH1 ARG 60 4.940 -0.980 8.190 478 H SER 61 H SER 61 -0.253 -7.922 11.171 479 HA SER 61 HA SER 61 -2.733 -9.269 11.153 480 1HB SER 61 1HB SER 61 -0.602 -10.064 12.159 481 2HB SER 61 2HB SER 61 -0.757 -8.826 13.409 482 HG SER 61 HG SER 61 -1.586 -10.385 14.385 483 H SER 62 H SER 62 -1.954 -6.061 12.251 484 HA SER 62 HA SER 62 -3.906 -5.566 14.170 485 1HB SER 62 1HB SER 62 -3.031 -3.532 12.140 486 2HB SER 62 2HB SER 62 -3.206 -3.372 13.891 487 HG SER 62 HG SER 62 -1.075 -3.400 13.449 488 H GLN 63 H GLN 63 -4.135 -6.042 10.723 489 HA GLN 63 HA GLN 63 -7.065 -5.484 10.816 490 1HB GLN 63 1HB GLN 63 -5.103 -4.901 8.561 491 2HB GLN 63 2HB GLN 63 -6.847 -4.939 8.364 492 1HG GLN 63 1HG GLN 63 -6.355 -2.672 8.628 493 2HG GLN 63 2HG GLN 63 -7.076 -3.175 10.153 494 1HE2 GLN 63 1HE2 GLN 63 -6.063 -1.650 11.613 495 2HE2 GLN 63 2HE2 GLN 63 -4.317 -1.480 11.695 496 H ARG 64 H ARG 64 -5.642 -7.978 11.476 497 HA ARG 64 HA ARG 64 -5.699 -9.882 9.374 498 1HB ARG 64 1HB ARG 64 -4.765 -10.174 11.723 499 2HB ARG 64 2HB ARG 64 -6.414 -10.342 12.315 500 1HG ARG 64 1HG ARG 64 -6.105 -12.214 10.169 501 2HG ARG 64 2HG ARG 64 -4.612 -12.273 11.093 502 1HD ARG 64 1HD ARG 64 -5.711 -12.916 13.106 503 2HD ARG 64 2HD ARG 64 -7.305 -12.537 12.430 504 HE ARG 64 HE ARG 64 -7.321 -14.423 11.157 505 1HH1 ARG 64 2HH2 ARG 64 -4.004 -14.137 12.455 506 2HH1 ARG 64 1HH2 ARG 64 -3.510 -15.674 11.845 507 1HH2 ARG 64 2HH1 ARG 64 -6.726 -16.596 10.615 508 2HH2 ARG 64 1HH1 ARG 64 -5.071 -17.061 10.747 509 H HIS 65 H HIS 65 -8.402 -8.525 11.260 510 HA HIS 65 HA HIS 65 -10.353 -10.401 10.397 511 1HB HIS 65 1HB HIS 65 -12.013 -8.735 11.018 512 2HB HIS 65 2HB HIS 65 -10.790 -8.951 12.251 513 HD1 HIS 65 HD1 HIS 65 -12.176 -6.279 9.880 514 HD2 HIS 65 HD2 HIS 65 -9.217 -6.864 12.866 515 HE1 HIS 65 HE1 HIS 65 -11.453 -3.949 10.697 516 HE2 HIS 65 HE2 HIS 65 -9.602 -4.322 12.462 517 H LEU 66 H LEU 66 -8.793 -7.900 8.434 518 HA LEU 66 HA LEU 66 -11.008 -7.849 6.508 519 1HB LEU 66 1HB LEU 66 -8.187 -6.748 6.493 520 2HB LEU 66 2HB LEU 66 -8.966 -7.071 4.970 521 HG LEU 66 HG LEU 66 -9.222 -4.757 5.469 522 1HD1 LEU 66 1HD1 LEU 66 -11.547 -4.521 5.041 523 2HD1 LEU 66 2HD1 LEU 66 -11.015 -6.023 4.287 524 3HD1 LEU 66 3HD1 LEU 66 -11.944 -6.054 5.806 525 1HD2 LEU 66 1HD2 LEU 66 -10.748 -5.575 7.976 526 2HD2 LEU 66 2HD2 LEU 66 -9.132 -4.840 7.955 527 3HD2 LEU 66 3HD2 LEU 66 -10.539 -3.925 7.386 528 H ASN 67 H ASN 67 -8.081 -9.770 7.084 529 HA ASN 67 HA ASN 67 -7.949 -10.875 4.452 530 1HB ASN 67 1HB ASN 67 -6.002 -10.893 5.788 531 2HB ASN 67 2HB ASN 67 -6.776 -11.848 7.080 532 1HD2 ASN 67 1HD2 ASN 67 -5.371 -13.741 6.925 533 2HD2 ASN 67 2HD2 ASN 67 -5.404 -14.699 5.464 534 H ASN 68 H ASN 68 -9.313 -12.107 3.593 535 HA ASN 68 HA ASN 68 -10.437 -14.413 5.037 536 1HB ASN 68 1HB ASN 68 -12.663 -14.118 4.336 537 2HB ASN 68 2HB ASN 68 -12.151 -12.617 5.070 538 1HD2 ASN 68 1HD2 ASN 68 -13.641 -13.957 2.362 539 2HD2 ASN 68 2HD2 ASN 68 -13.653 -12.501 1.334 540 H ARG 69 H ARG 69 -10.685 -16.301 3.758 541 HA ARG 69 HA ARG 69 -9.036 -16.481 1.537 542 1HB ARG 69 1HB ARG 69 -10.010 -18.377 2.988 543 2HB ARG 69 2HB ARG 69 -11.391 -18.374 1.883 544 1HG ARG 69 1HG ARG 69 -9.875 -18.742 -0.043 545 2HG ARG 69 2HG ARG 69 -8.467 -18.631 1.023 546 1HD ARG 69 1HD ARG 69 -9.158 -20.694 2.178 547 2HD ARG 69 2HD ARG 69 -10.596 -20.786 1.137 548 HE ARG 69 HE ARG 69 -8.202 -20.535 -0.431 549 1HH1 ARG 69 2HH2 ARG 69 -9.900 -22.998 1.503 550 2HH1 ARG 69 1HH2 ARG 69 -9.269 -24.323 0.565 551 1HH2 ARG 69 2HH1 ARG 69 -7.677 -22.255 -1.811 552 2HH2 ARG 69 1HH1 ARG 69 -7.949 -23.900 -1.340 553 H GLY 70 H GLY 70 -12.505 -15.816 1.601 554 1HA GLY 70 1HA GLY 70 -13.153 -15.861 -1.095 555 2HA GLY 70 2HA GLY 70 -13.834 -14.717 0.062 556 H ALA 71 H ALA 71 -11.236 -13.367 0.660 557 HA ALA 71 HA ALA 71 -11.064 -11.653 -1.712 558 1HB ALA 71 1HB ALA 71 -10.974 -10.557 0.465 559 2HB ALA 71 2HB ALA 71 -9.598 -11.564 0.970 560 3HB ALA 71 3HB ALA 71 -9.404 -10.390 -0.336 561 H GLN 72 H GLN 72 -8.968 -13.971 0.092 562 HA GLN 72 HA GLN 72 -6.606 -13.566 -1.340 563 1HB GLN 72 1HB GLN 72 -6.829 -14.847 0.800 564 2HB GLN 72 2HB GLN 72 -7.613 -16.156 -0.088 565 1HG GLN 72 1HG GLN 72 -5.538 -16.573 -1.367 566 2HG GLN 72 2HG GLN 72 -4.743 -15.235 -0.546 567 1HE2 GLN 72 1HE2 GLN 72 -6.372 -18.387 0.093 568 2HE2 GLN 72 2HE2 GLN 72 -5.500 -18.704 1.594 569 H GLN 73 H GLN 73 -9.266 -15.891 -2.084 570 HA GLN 73 HA GLN 73 -7.961 -17.111 -4.265 571 1HB GLN 73 1HB GLN 73 -10.083 -18.088 -4.686 572 2HB GLN 73 2HB GLN 73 -9.892 -17.942 -2.945 573 1HG GLN 73 1HG GLN 73 -11.335 -15.875 -3.072 574 2HG GLN 73 2HG GLN 73 -11.652 -16.262 -4.773 575 1HE2 GLN 73 1HE2 GLN 73 -13.908 -16.091 -3.541 576 2HE2 GLN 73 2HE2 GLN 73 -14.524 -17.592 -2.910 577 H LYS 74 H LYS 74 -10.099 -14.305 -4.136 578 HA LYS 74 HA LYS 74 -10.201 -13.923 -7.016 579 1HB LYS 74 1HB LYS 74 -11.915 -13.029 -5.366 580 2HB LYS 74 2HB LYS 74 -10.709 -11.882 -4.790 581 1HG LYS 74 1HG LYS 74 -12.247 -10.814 -6.303 582 2HG LYS 74 2HG LYS 74 -10.643 -10.799 -7.018 583 1HD LYS 74 1HD LYS 74 -12.458 -13.094 -7.768 584 2HD LYS 74 2HD LYS 74 -12.916 -11.485 -8.338 585 1HE LYS 74 1HE LYS 74 -10.775 -11.162 -9.440 586 2HE LYS 74 2HE LYS 74 -10.162 -12.700 -8.819 587 1HZ LYS 74 1HZ LYS 74 -12.509 -12.517 -10.630 588 2HZ LYS 74 2HZ LYS 74 -11.000 -12.760 -11.146 589 3HZ LYS 74 3HZ LYS 74 -11.667 -13.881 -10.186 590 H LEU 75 H LEU 75 -8.207 -12.618 -4.359 591 HA LEU 75 HA LEU 75 -6.596 -10.871 -5.912 592 1HB LEU 75 1HB LEU 75 -6.783 -11.570 -3.209 593 2HB LEU 75 2HB LEU 75 -5.361 -12.353 -3.624 594 HG LEU 75 HG LEU 75 -6.006 -9.406 -3.892 595 1HD1 LEU 75 1HD1 LEU 75 -5.703 -10.167 -1.592 596 2HD1 LEU 75 2HD1 LEU 75 -4.137 -10.881 -2.003 597 3HD1 LEU 75 3HD1 LEU 75 -4.360 -9.120 -2.062 598 1HD2 LEU 75 1HD2 LEU 75 -3.281 -10.588 -4.460 599 2HD2 LEU 75 2HD2 LEU 75 -4.403 -9.979 -5.693 600 3HD2 LEU 75 3HD2 LEU 75 -3.751 -8.881 -4.477 601 H ALA 76 H ALA 76 -6.358 -14.380 -5.191 602 HA ALA 76 HA ALA 76 -3.815 -14.828 -6.310 603 1HB ALA 76 1HB ALA 76 -6.119 -16.807 -5.994 604 2HB ALA 76 2HB ALA 76 -4.410 -17.204 -6.221 605 3HB ALA 76 3HB ALA 76 -4.934 -16.395 -4.737 606 H GLU 77 H GLU 77 -7.045 -15.286 -7.723 607 HA GLU 77 HA GLU 77 -6.189 -16.162 -10.291 608 1HB GLU 77 1HB GLU 77 -8.525 -16.203 -9.276 609 2HB GLU 77 2HB GLU 77 -8.624 -14.460 -9.517 610 1HG GLU 77 1HG GLU 77 -8.451 -14.717 -11.933 611 2HG GLU 77 2HG GLU 77 -8.137 -16.452 -11.770 612 H ALA 78 H ALA 78 -6.655 -12.861 -8.949 613 HA ALA 78 HA ALA 78 -6.135 -11.479 -11.411 614 1HB ALA 78 1HB ALA 78 -7.364 -10.489 -9.496 615 2HB ALA 78 2HB ALA 78 -5.868 -10.496 -8.533 616 3HB ALA 78 3HB ALA 78 -5.991 -9.498 -9.999 617 H LEU 79 H LEU 79 -4.012 -12.182 -8.539 618 HA LEU 79 HA LEU 79 -1.662 -11.109 -9.665 619 1HB LEU 79 1HB LEU 79 -2.373 -12.674 -7.331 620 2HB LEU 79 2HB LEU 79 -0.961 -13.412 -8.058 621 HG LEU 79 HG LEU 79 -1.181 -10.432 -7.543 622 1HD1 LEU 79 1HD1 LEU 79 0.165 -10.800 -5.500 623 2HD1 LEU 79 2HD1 LEU 79 -1.431 -11.540 -5.416 624 3HD1 LEU 79 3HD1 LEU 79 -0.009 -12.562 -5.722 625 1HD2 LEU 79 1HD2 LEU 79 1.293 -12.212 -7.867 626 2HD2 LEU 79 2HD2 LEU 79 0.620 -11.226 -9.163 627 3HD2 LEU 79 3HD2 LEU 79 1.273 -10.441 -7.720 628 H SER 80 H SER 80 -3.144 -14.294 -10.067 629 HA SER 80 HA SER 80 -0.969 -15.466 -11.536 630 1HB SER 80 1HB SER 80 -3.941 -16.101 -11.392 631 2HB SER 80 2HB SER 80 -2.753 -17.138 -12.154 632 HG SER 80 HG SER 80 -2.976 -16.371 -9.445 633 H MET 81 H MET 81 -3.815 -13.512 -12.492 634 HA MET 81 HA MET 81 -3.495 -13.853 -15.327 635 1HB MET 81 1HB MET 81 -5.579 -13.098 -14.132 636 2HB MET 81 2HB MET 81 -4.772 -11.578 -13.741 637 1HG MET 81 1HG MET 81 -6.146 -11.162 -15.596 638 2HG MET 81 2HG MET 81 -4.488 -11.158 -16.177 639 1HE MET 81 1HE MET 81 -3.450 -13.043 -17.781 640 2HE MET 81 2HE MET 81 -4.569 -13.357 -19.120 641 3HE MET 81 3HE MET 81 -4.349 -11.702 -18.538 642 H LEU 82 H LEU 82 -2.242 -11.563 -12.897 643 HA LEU 82 HA LEU 82 -0.838 -9.813 -14.662 644 1HB LEU 82 1HB LEU 82 -1.251 -8.903 -12.657 645 2HB LEU 82 2HB LEU 82 -1.089 -10.402 -11.763 646 HG LEU 82 HG LEU 82 1.363 -10.174 -11.756 647 1HD1 LEU 82 1HD1 LEU 82 2.332 -7.972 -12.392 648 2HD1 LEU 82 2HD1 LEU 82 1.687 -8.816 -13.809 649 3HD1 LEU 82 3HD1 LEU 82 0.772 -7.490 -13.060 650 1HD2 LEU 82 1HD2 LEU 82 1.380 -8.434 -10.091 651 2HD2 LEU 82 2HD2 LEU 82 -0.067 -7.660 -10.778 652 3HD2 LEU 82 3HD2 LEU 82 -0.186 -9.231 -9.972 653 H LYS 83 H LYS 83 0.404 -12.431 -12.577 654 HA LYS 83 HA LYS 83 3.045 -12.495 -13.599 655 1HB LYS 83 1HB LYS 83 2.030 -13.505 -11.470 656 2HB LYS 83 2HB LYS 83 1.393 -14.795 -12.481 657 1HG LYS 83 1HG LYS 83 3.300 -15.680 -11.479 658 2HG LYS 83 2HG LYS 83 3.819 -15.334 -13.118 659 1HD LYS 83 1HD LYS 83 5.159 -13.512 -12.456 660 2HD LYS 83 2HD LYS 83 4.272 -13.257 -10.956 661 1HE LYS 83 1HE LYS 83 6.603 -14.238 -10.727 662 2HE LYS 83 2HE LYS 83 5.304 -15.058 -9.842 663 1HZ LYS 83 1HZ LYS 83 6.194 -15.972 -12.484 664 2HZ LYS 83 2HZ LYS 83 6.926 -16.491 -11.114 665 3HZ LYS 83 3HZ LYS 83 5.332 -16.825 -11.349 666 H GLY 84 H GLY 84 0.068 -13.835 -14.891 667 1HA GLY 84 1HA GLY 84 -0.400 -14.765 -16.916 668 2HA GLY 84 2HA GLY 84 1.309 -14.669 -17.371 669 H SER 85 H SER 85 1.135 -16.180 -14.317 670 HA SER 85 HA SER 85 0.549 -18.863 -15.253 671 1HB SER 85 1HB SER 85 2.722 -19.687 -14.247 672 2HB SER 85 2HB SER 85 2.877 -18.787 -15.761 673 HG SER 85 HG SER 85 4.407 -18.010 -14.437 674 H THR 86 H THR 86 0.722 -20.326 -13.184 675 HA THR 86 HA THR 86 -1.087 -19.232 -11.276 676 HB THR 86 HB THR 86 0.614 -21.736 -10.960 677 HG1 THR 86 1HG THR 86 -0.324 -21.853 -12.925 678 1HG2 THR 86 1HG2 THR 86 -0.744 -21.087 -8.969 679 2HG2 THR 86 2HG2 THR 86 -2.204 -21.112 -9.982 680 3HG2 THR 86 3HG2 THR 86 -1.285 -22.603 -9.697 681 H VAL 87 H VAL 87 -0.624 -17.882 -9.630 682 HA VAL 87 HA VAL 87 2.131 -17.739 -8.466 683 HB VAL 87 HB VAL 87 -0.368 -15.968 -8.270 684 1HG1 VAL 87 1HG1 VAL 87 1.133 -14.408 -6.987 685 2HG1 VAL 87 2HG1 VAL 87 0.753 -15.887 -6.109 686 3HG1 VAL 87 3HG1 VAL 87 2.332 -15.723 -6.891 687 1HG2 VAL 87 1HG2 VAL 87 2.398 -15.395 -9.406 688 2HG2 VAL 87 2HG2 VAL 87 0.954 -15.751 -10.377 689 3HG2 VAL 87 3HG2 VAL 87 1.012 -14.284 -9.390 690 H GLU 88 H GLU 88 2.443 -18.547 -6.392 691 HA GLU 88 HA GLU 88 0.119 -19.913 -5.153 692 1HB GLU 88 1HB GLU 88 3.128 -19.945 -4.683 693 2HB GLU 88 2HB GLU 88 1.989 -20.586 -3.496 694 1HG GLU 88 1HG GLU 88 2.282 -21.513 -6.392 695 2HG GLU 88 2HG GLU 88 2.871 -22.361 -4.955 696 H LEU 89 H LEU 89 -1.044 -18.048 -4.780 697 HA LEU 89 HA LEU 89 0.217 -15.855 -3.302 698 1HB LEU 89 1HB LEU 89 -1.209 -15.111 -5.028 699 2HB LEU 89 2HB LEU 89 -2.531 -16.149 -4.468 700 HG LEU 89 HG LEU 89 -2.790 -14.831 -2.414 701 1HD1 LEU 89 1HD1 LEU 89 -0.488 -13.916 -2.039 702 2HD1 LEU 89 2HD1 LEU 89 -0.745 -12.824 -3.426 703 3HD1 LEU 89 3HD1 LEU 89 -1.774 -12.748 -1.982 704 1HD2 LEU 89 1HD2 LEU 89 -3.301 -12.589 -3.561 705 2HD2 LEU 89 2HD2 LEU 89 -2.756 -13.361 -5.051 706 3HD2 LEU 89 3HD2 LEU 89 -4.090 -14.078 -4.090 707 H THR 90 H THR 90 0.230 -15.776 -1.170 708 HA THR 90 HA THR 90 -1.975 -17.053 0.369 709 HB THR 90 HB THR 90 0.951 -16.957 1.100 710 HG1 THR 90 1HG THR 90 -0.528 -19.175 0.074 711 1HG2 THR 90 1HG2 THR 90 -0.326 -17.128 3.082 712 2HG2 THR 90 2HG2 THR 90 -1.318 -18.449 2.415 713 3HG2 THR 90 3HG2 THR 90 0.420 -18.680 2.765 714 H ILE 91 H ILE 91 -2.261 -15.970 2.404 715 HA ILE 91 HA ILE 91 -1.195 -13.201 2.577 716 HB ILE 91 HB ILE 91 -3.801 -13.921 3.888 717 1HG1 ILE 91 1HG1 ILE 91 -4.558 -14.365 1.713 718 2HG1 ILE 91 2HG1 ILE 91 -5.142 -12.798 2.160 719 1HG2 ILE 91 1HG2 ILE 91 -4.123 -11.455 3.749 720 2HG2 ILE 91 2HG2 ILE 91 -2.619 -11.908 4.576 721 3HG2 ILE 91 3HG2 ILE 91 -2.567 -11.323 2.900 722 1HD1 ILE 91 1HD1 ILE 91 -4.549 -12.804 -0.148 723 2HD1 ILE 91 2HD1 ILE 91 -3.456 -11.718 0.725 724 3HD1 ILE 91 3HD1 ILE 91 -2.900 -13.336 0.206 725 H VAL 92 H VAL 92 -0.000 -13.012 4.408 726 HA VAL 92 HA VAL 92 -0.272 -15.069 6.537 727 HB VAL 92 HB VAL 92 2.054 -15.078 6.942 728 1HG1 VAL 92 1HG1 VAL 92 1.222 -16.524 5.022 729 2HG1 VAL 92 2HG1 VAL 92 1.824 -15.300 3.899 730 3HG1 VAL 92 3HG1 VAL 92 2.951 -16.157 4.969 731 1HG2 VAL 92 1HG2 VAL 92 3.747 -13.905 5.579 732 2HG2 VAL 92 2HG2 VAL 92 2.459 -13.050 4.709 733 3HG2 VAL 92 3HG2 VAL 92 2.714 -12.777 6.457 734 H GLU 93 H GLU 93 0.071 -14.085 8.713 735 HA GLU 93 HA GLU 93 -0.654 -11.187 8.611 736 1HB GLU 93 1HB GLU 93 -1.791 -13.339 10.405 737 2HB GLU 93 2HB GLU 93 -2.018 -11.596 10.602 738 1HG GLU 93 1HG GLU 93 -3.764 -11.728 9.177 739 2HG GLU 93 2HG GLU 93 -2.617 -11.918 7.895 740 H ASP 94 H ASP 94 1.077 -10.183 8.999 741 HA ASP 94 HA ASP 94 2.900 -10.830 11.255 742 1HB ASP 94 1HB ASP 94 3.849 -11.806 9.254 743 2HB ASP 94 2HB ASP 94 3.491 -10.357 8.306 744 H ASP 95 H ASP 95 2.508 -9.057 12.499 745 HA ASP 95 HA ASP 95 1.746 -6.472 11.291 746 1HB ASP 95 1HB ASP 95 1.323 -5.722 13.579 747 2HB ASP 95 2HB ASP 95 0.432 -7.159 13.162 748 H ASN 96 H ASN 96 4.719 -7.879 12.023 749 HA ASN 96 HA ASN 96 6.139 -5.822 13.282 750 1HB ASN 96 1HB ASN 96 7.107 -8.002 13.016 751 2HB ASN 96 2HB ASN 96 6.974 -7.912 11.250 752 1HD2 ASN 96 1HD2 ASN 96 8.945 -6.943 14.018 753 2HD2 ASN 96 2HD2 ASN 96 10.184 -6.156 13.036 754 HA PRO 97 HA PRO 97 5.989 -2.734 10.055 755 1HB PRO 97 1HB PRO 97 7.422 -0.727 11.192 756 2HB PRO 97 2HB PRO 97 5.902 -1.336 11.911 757 1HG PRO 97 1HG PRO 97 8.745 -2.170 12.615 758 2HG PRO 97 2HG PRO 97 7.477 -1.553 13.729 759 1HD PRO 97 1HD PRO 97 7.869 -4.212 13.366 760 2HD PRO 97 2HD PRO 97 6.219 -3.545 13.541 761 H ALA 98 H ALA 98 8.677 -4.678 10.122 762 HA ALA 98 HA ALA 98 10.800 -3.016 9.273 763 1HB ALA 98 1HB ALA 98 11.851 -5.154 8.531 764 2HB ALA 98 2HB ALA 98 11.153 -5.276 10.153 765 3HB ALA 98 3HB ALA 98 10.306 -5.976 8.748 766 H VAL 99 H VAL 99 8.070 -3.881 7.551 767 HA VAL 99 HA VAL 99 9.218 -2.735 5.081 768 HB VAL 99 HB VAL 99 7.575 -5.267 5.072 769 1HG1 VAL 99 1HG1 VAL 99 7.012 -3.953 3.097 770 2HG1 VAL 99 2HG1 VAL 99 8.716 -3.635 2.762 771 3HG1 VAL 99 3HG1 VAL 99 8.063 -5.268 2.587 772 1HG2 VAL 99 1HG2 VAL 99 10.484 -4.864 4.277 773 2HG2 VAL 99 2HG2 VAL 99 9.900 -5.788 5.677 774 3HG2 VAL 99 3HG2 VAL 99 9.550 -6.356 4.048 775 H ARG 100 H ARG 100 7.549 -1.778 3.709 776 HA ARG 100 HA ARG 100 5.350 -0.646 5.351 777 1HB ARG 100 1HB ARG 100 6.571 0.411 2.766 778 2HB ARG 100 2HB ARG 100 5.452 1.229 3.840 779 1HG ARG 100 1HG ARG 100 7.359 2.270 4.503 780 2HG ARG 100 2HG ARG 100 7.453 0.889 5.599 781 1HD ARG 100 1HD ARG 100 8.967 -0.237 3.867 782 2HD ARG 100 2HD ARG 100 8.939 1.281 2.966 783 HE ARG 100 HE ARG 100 9.926 2.404 4.907 784 1HH1 ARG 100 2HH2 ARG 100 10.551 -1.130 4.800 785 2HH1 ARG 100 1HH2 ARG 100 11.418 -1.088 6.298 786 1HH2 ARG 100 2HH1 ARG 100 11.253 2.423 6.652 787 2HH2 ARG 100 1HH1 ARG 100 11.990 0.936 7.242 788 H THR 101 H THR 101 3.214 -0.926 4.549 789 HA THR 101 HA THR 101 2.793 -2.798 2.324 790 HB THR 101 HB THR 101 0.538 -2.792 3.046 791 HG1 THR 101 1HG THR 101 -0.440 -1.202 3.840 792 1HG2 THR 101 1HG2 THR 101 0.500 -3.206 5.422 793 2HG2 THR 101 2HG2 THR 101 2.022 -3.841 4.772 794 3HG2 THR 101 3HG2 THR 101 1.996 -2.312 5.678 795 HA PRO 102 HA PRO 102 2.234 0.553 -0.576 796 1HB PRO 102 1HB PRO 102 -0.005 0.151 -2.056 797 2HB PRO 102 2HB PRO 102 1.463 -0.874 -2.162 798 1HG PRO 102 1HG PRO 102 -1.040 -1.402 -0.654 799 2HG PRO 102 2HG PRO 102 -0.134 -2.533 -1.685 800 1HD PRO 102 1HD PRO 102 0.064 -2.449 1.057 801 2HD PRO 102 2HD PRO 102 1.455 -2.914 0.046 802 H LEU 103 H LEU 103 -0.424 -0.031 1.649 803 HA LEU 103 HA LEU 103 -1.744 2.552 1.409 804 1HB LEU 103 1HB LEU 103 -2.821 0.560 2.315 805 2HB LEU 103 2HB LEU 103 -1.708 0.486 3.664 806 HG LEU 103 HG LEU 103 -3.362 2.990 3.259 807 1HD1 LEU 103 1HD1 LEU 103 -5.163 1.938 4.635 808 2HD1 LEU 103 2HD1 LEU 103 -4.995 1.201 3.047 809 3HD1 LEU 103 3HD1 LEU 103 -4.342 0.371 4.484 810 1HD2 LEU 103 1HD2 LEU 103 -2.371 1.500 5.752 811 2HD2 LEU 103 2HD2 LEU 103 -1.698 3.008 5.105 812 3HD2 LEU 103 3HD2 LEU 103 -3.326 2.993 5.756 813 H GLU 104 H GLU 104 0.562 1.057 3.741 814 HA GLU 104 HA GLU 104 1.018 3.473 5.187 815 1HB GLU 104 1HB GLU 104 2.548 0.855 4.945 816 2HB GLU 104 2HB GLU 104 3.013 2.144 6.057 817 1HG GLU 104 1HG GLU 104 0.260 0.819 6.085 818 2HG GLU 104 2HG GLU 104 1.623 0.299 7.067 819 H TRP 105 H TRP 105 2.575 2.069 2.288 820 HA TRP 105 HA TRP 105 4.742 3.874 2.129 821 1HB TRP 105 1HB TRP 105 3.414 1.994 0.276 822 2HB TRP 105 2HB TRP 105 4.037 3.406 -0.522 823 HD1 TRP 105 HD TRP 105 5.175 0.102 0.159 824 HE1 TRP 105 1HE TRP 105 7.744 -0.051 0.170 825 HE3 TRP 105 3HE TRP 105 6.294 5.081 0.489 826 HZ2 TRP 105 2HZ TRP 105 9.991 1.774 0.367 827 HZ3 TRP 105 3HZ TRP 105 8.647 5.855 0.480 828 HH2 TRP 105 HH TRP 105 10.502 4.202 0.504 829 H ARG 106 H ARG 106 1.425 4.114 0.680 830 HA ARG 106 HA ARG 106 1.737 6.679 -0.494 831 1HB ARG 106 1HB ARG 106 -0.245 5.229 -0.763 832 2HB ARG 106 2HB ARG 106 -0.684 5.493 0.925 833 1HG ARG 106 1HG ARG 106 -0.853 7.971 0.389 834 2HG ARG 106 2HG ARG 106 -0.748 7.538 -1.323 835 1HD ARG 106 1HD ARG 106 -2.826 6.349 0.577 836 2HD ARG 106 2HD ARG 106 -3.055 7.907 -0.207 837 HE ARG 106 HE ARG 106 -3.547 6.941 -2.188 838 1HH1 ARG 106 2HH2 ARG 106 -2.108 4.321 -0.202 839 2HH1 ARG 106 1HH2 ARG 106 -2.678 3.082 -1.274 840 1HH2 ARG 106 2HH1 ARG 106 -4.340 5.333 -3.415 841 2HH2 ARG 106 1HH1 ARG 106 -3.890 3.651 -3.215 842 H GLN 107 H GLN 107 0.868 5.830 2.849 843 HA GLN 107 HA GLN 107 0.693 8.541 3.725 844 1HB GLN 107 1HB GLN 107 -0.064 6.186 4.793 845 2HB GLN 107 2HB GLN 107 1.486 6.307 5.605 846 1HG GLN 107 1HG GLN 107 -0.204 7.255 7.027 847 2HG GLN 107 2HG GLN 107 0.805 8.588 6.450 848 1HE2 GLN 107 1HE2 GLN 107 -1.078 10.042 6.965 849 2HE2 GLN 107 2HE2 GLN 107 -2.426 10.083 5.821 850 H ALA 108 H ALA 108 3.417 6.220 3.716 851 HA ALA 108 HA ALA 108 5.259 7.791 5.186 852 1HB ALA 108 1HB ALA 108 6.935 6.191 4.380 853 2HB ALA 108 2HB ALA 108 5.476 5.328 4.892 854 3HB ALA 108 3HB ALA 108 5.810 5.575 3.161 855 H ILE 109 H ILE 109 4.629 7.565 1.668 856 HA ILE 109 HA ILE 109 6.817 9.154 0.750 857 HB ILE 109 HB ILE 109 3.960 8.871 -0.252 858 1HG1 ILE 109 1HG1 ILE 109 5.348 6.808 -0.399 859 2HG1 ILE 109 2HG1 ILE 109 4.688 7.384 -1.907 860 1HG2 ILE 109 1HG2 ILE 109 6.250 10.212 -1.748 861 2HG2 ILE 109 2HG2 ILE 109 4.639 9.809 -2.383 862 3HG2 ILE 109 3HG2 ILE 109 4.800 11.010 -1.119 863 1HD1 ILE 109 1HD1 ILE 109 6.989 6.480 -2.067 864 2HD1 ILE 109 2HD1 ILE 109 6.866 8.148 -2.630 865 3HD1 ILE 109 3HD1 ILE 109 7.573 7.801 -1.029 866 H TYR 110 H TYR 110 3.587 10.036 2.075 867 HA TYR 110 HA TYR 110 3.910 12.822 1.547 868 1HB TYR 110 1HB TYR 110 1.760 11.421 2.195 869 2HB TYR 110 2HB TYR 110 2.246 11.690 3.848 870 HD1 TYR 110 HD1 TYR 110 0.908 13.373 4.849 871 HD2 TYR 110 HD2 TYR 110 2.184 13.836 0.748 872 HE1 TYR 110 HE1 TYR 110 -0.294 15.531 4.703 873 HE2 TYR 110 HE2 TYR 110 1.053 15.991 0.610 874 HH TYR 110 HH TYR 110 -0.097 17.606 1.761 875 H GLU 111 H GLU 111 4.477 10.824 4.425 876 HA GLU 111 HA GLU 111 5.423 13.077 5.972 877 1HB GLU 111 1HB GLU 111 4.358 10.742 6.692 878 2HB GLU 111 2HB GLU 111 6.057 10.220 6.701 879 1HG GLU 111 1HG GLU 111 6.555 12.265 8.132 880 2HG GLU 111 2HG GLU 111 4.838 12.611 8.170 881 H GLU 112 H GLU 112 7.058 10.924 3.591 882 HA GLU 112 HA GLU 112 9.656 11.371 4.495 883 1HB GLU 112 1HB GLU 112 10.282 10.313 2.662 884 2HB GLU 112 2HB GLU 112 8.616 9.937 2.496 885 1HG GLU 112 1HG GLU 112 8.964 10.574 0.369 886 2HG GLU 112 2HG GLU 112 8.571 12.166 0.994 887 H LYS 113 H LYS 113 7.443 13.561 2.832 888 HA LYS 113 HA LYS 113 9.419 15.480 2.011 889 1HB LYS 113 1HB LYS 113 6.776 15.164 1.575 890 2HB LYS 113 2HB LYS 113 6.620 16.239 2.941 891 1HG LYS 113 1HG LYS 113 8.042 16.858 0.325 892 2HG LYS 113 2HG LYS 113 6.398 17.330 0.756 893 1HD LYS 113 1HD LYS 113 7.366 18.611 2.720 894 2HD LYS 113 2HD LYS 113 8.968 18.295 2.019 895 1HE LYS 113 1HE LYS 113 8.205 19.356 -0.122 896 2HE LYS 113 2HE LYS 113 6.663 19.749 0.662 897 1HZ LYS 113 1HZ LYS 113 8.069 21.630 0.816 898 2HZ LYS 113 2HZ LYS 113 8.015 20.992 2.331 899 3HZ LYS 113 3HZ LYS 113 9.337 20.776 1.372 900 H LEU 114 H LEU 114 7.830 14.803 5.007 901 HA LEU 114 HA LEU 114 8.506 17.306 6.436 902 1HB LEU 114 1HB LEU 114 6.958 14.729 7.046 903 2HB LEU 114 2HB LEU 114 7.450 15.789 8.313 904 HG LEU 114 HG LEU 114 6.084 17.616 7.408 905 1HD1 LEU 114 1HD1 LEU 114 6.014 17.163 5.027 906 2HD1 LEU 114 2HD1 LEU 114 5.308 15.552 5.297 907 3HD1 LEU 114 3HD1 LEU 114 4.361 17.007 5.640 908 1HD2 LEU 114 1HD2 LEU 114 4.531 15.006 7.677 909 2HD2 LEU 114 2HD2 LEU 114 5.188 15.924 9.033 910 3HD2 LEU 114 3HD2 LEU 114 3.932 16.647 8.015 911 H ALA 115 H ALA 115 9.258 13.830 6.376 912 HA ALA 115 HA ALA 115 11.028 13.851 8.628 913 1HB ALA 115 1HB ALA 115 10.774 11.837 6.352 914 2HB ALA 115 2HB ALA 115 11.567 11.567 7.914 915 3HB ALA 115 3HB ALA 115 9.811 11.822 7.850 916 H GLN 116 H GLN 116 11.511 14.123 5.064 917 HA GLN 116 HA GLN 116 14.329 13.960 5.002 918 1HB GLN 116 1HB GLN 116 12.334 15.518 3.322 919 2HB GLN 116 2HB GLN 116 14.054 15.562 2.976 920 1HG GLN 116 1HG GLN 116 12.631 12.892 3.123 921 2HG GLN 116 2HG GLN 116 12.529 13.905 1.699 922 1HE2 GLN 116 1HE2 GLN 116 14.250 13.954 0.250 923 2HE2 GLN 116 2HE2 GLN 116 15.847 13.249 0.575 924 H ALA 117 H ALA 117 12.226 16.581 5.951 925 HA ALA 117 HA ALA 117 14.275 18.632 6.029 926 1HB ALA 117 1HB ALA 117 11.572 18.568 7.469 927 2HB ALA 117 2HB ALA 117 12.538 19.993 7.082 928 3HB ALA 117 3HB ALA 117 11.782 19.061 5.778 929 H ARG 118 H ARG 118 13.742 15.992 8.096 930 HA ARG 118 HA ARG 118 15.236 17.254 10.293 931 1HB ARG 118 1HB ARG 118 13.025 16.561 11.013 932 2HB ARG 118 2HB ARG 118 13.227 14.974 10.269 933 1HG ARG 118 1HG ARG 118 13.454 14.853 12.676 934 2HG ARG 118 2HG ARG 118 14.948 14.367 11.876 935 1HD ARG 118 1HD ARG 118 15.864 16.690 12.372 936 2HD ARG 118 2HD ARG 118 14.363 17.032 13.239 937 HE ARG 118 HE ARG 118 14.963 15.588 14.945 938 1HH1 ARG 118 2HH2 ARG 118 17.401 15.361 12.328 939 2HH1 ARG 118 1HH2 ARG 118 18.593 14.670 13.396 940 1HH2 ARG 118 2HH1 ARG 118 16.446 14.270 16.160 941 2HH2 ARG 118 1HH1 ARG 118 17.925 13.772 15.424 942 H GLU 119 H GLU 119 14.940 14.506 8.091 943 HA GLU 119 HA GLU 119 17.227 13.069 8.924 944 1HB GLU 119 1HB GLU 119 15.076 12.479 7.534 945 2HB GLU 119 2HB GLU 119 16.043 12.910 6.147 946 1HG GLU 119 1HG GLU 119 17.015 10.933 8.281 947 2HG GLU 119 2HG GLU 119 15.870 10.432 7.047 948 H SER 120 H SER 120 16.850 16.015 7.004 949 HA SER 120 HA SER 120 19.286 15.896 5.575 950 1HB SER 120 1HB SER 120 19.139 18.435 5.811 951 2HB SER 120 2HB SER 120 17.787 17.614 5.022 952 HG SER 120 HG SER 120 17.596 19.268 6.927 953 H ILE 121 H ILE 121 18.564 16.703 8.971 954 HA ILE 121 HA ILE 121 21.237 17.465 9.676 955 HB ILE 121 HB ILE 121 19.143 16.379 11.561 956 1HG1 ILE 121 1HG1 ILE 121 17.908 18.012 10.258 957 2HG1 ILE 121 2HG1 ILE 121 18.208 18.616 11.866 958 1HG2 ILE 121 1HG2 ILE 121 21.219 16.768 12.666 959 2HG2 ILE 121 2HG2 ILE 121 21.426 18.351 11.893 960 3HG2 ILE 121 3HG2 ILE 121 20.161 18.103 13.116 961 1HD1 ILE 121 1HD1 ILE 121 18.486 20.357 10.138 962 2HD1 ILE 121 2HD1 ILE 121 20.002 20.092 11.023 963 3HD1 ILE 121 3HD1 ILE 121 19.789 19.425 9.388 964 H ILE 122 H ILE 122 19.685 14.362 9.213 965 HA ILE 122 HA ILE 122 21.673 12.811 10.714 966 HB ILE 122 HB ILE 122 19.305 12.182 8.952 967 1HG1 ILE 122 1HG1 ILE 122 18.722 10.649 10.780 968 2HG1 ILE 122 2HG1 ILE 122 20.205 11.081 11.635 969 1HG2 ILE 122 1HG2 ILE 122 21.400 10.096 9.569 970 2HG2 ILE 122 2HG2 ILE 122 19.780 9.826 8.919 971 3HG2 ILE 122 3HG2 ILE 122 20.957 10.707 7.956 972 1HD1 ILE 122 1HD1 ILE 122 18.000 13.056 10.918 973 2HD1 ILE 122 2HD1 ILE 122 18.127 12.226 12.465 974 3HD1 ILE 122 3HD1 ILE 122 19.407 13.345 11.970 975 H ALA 123 H ALA 123 21.029 13.831 7.340 976 HA ALA 123 HA ALA 123 23.337 12.642 6.195 977 1HB ALA 123 1HB ALA 123 21.712 15.029 5.224 978 2HB ALA 123 2HB ALA 123 22.829 14.051 4.267 979 3HB ALA 123 3HB ALA 123 21.368 13.310 4.920 980 H ASP 124 H ASP 124 22.944 15.639 8.030 981 HA ASP 124 HA ASP 124 25.394 16.876 7.177 982 1HB ASP 124 1HB ASP 124 23.810 17.136 9.757 983 2HB ASP 124 2HB ASP 124 25.279 18.034 9.419 984 H ASN 125 H ASN 125 24.708 14.132 9.061 985 HA ASN 125 HA ASN 125 25.663 12.503 9.943 986 1HB ASN 125 1HB ASN 125 27.778 13.305 7.976 987 2HB ASN 125 2HB ASN 125 28.058 11.941 9.043 988 1HD2 ASN 125 1HD2 ASN 125 26.310 12.937 6.198 989 2HD2 ASN 125 2HD2 ASN 125 25.536 11.399 5.921 990 H ASN 126 H ASN 126 27.111 11.519 11.162 991 HA ASN 126 HA ASN 126 28.684 13.112 13.147 992 1HB ASN 126 1HB ASN 126 26.274 11.338 13.807 993 2HB ASN 126 2HB ASN 126 27.437 11.918 14.989 994 1HD2 ASN 126 1HD2 ASN 126 24.677 12.837 12.993 995 2HD2 ASN 126 2HD2 ASN 126 24.573 14.478 13.575 996 H ILE 127 H ILE 127 27.459 9.856 12.198 997 HA ILE 127 HA ILE 127 30.047 8.633 13.045 998 HB ILE 127 HB ILE 127 28.672 6.725 13.899 999 1HG1 ILE 127 1HG1 ILE 127 26.307 8.664 13.742 1000 2HG1 ILE 127 2HG1 ILE 127 26.555 7.310 12.636 1001 1HG2 ILE 127 1HG2 ILE 127 29.685 8.480 15.354 1002 2HG2 ILE 127 2HG2 ILE 127 28.132 9.350 15.352 1003 3HG2 ILE 127 3HG2 ILE 127 28.253 7.725 16.049 1004 1HD1 ILE 127 1HD1 ILE 127 26.093 7.111 15.624 1005 2HD1 ILE 127 2HD1 ILE 127 24.967 6.689 14.330 1006 3HD1 ILE 127 3HD1 ILE 127 26.455 5.738 14.550 1007 H GLN 128 H GLN 128 27.561 8.803 10.609 1008 HA GLN 128 HA GLN 128 28.366 6.215 9.464 1009 1HB GLN 128 1HB GLN 128 25.933 7.012 9.976 1010 2HB GLN 128 2HB GLN 128 26.094 7.983 8.520 1011 1HG GLN 128 1HG GLN 128 26.401 4.949 8.670 1012 2HG GLN 128 2HG GLN 128 24.930 5.800 8.239 1013 1HE2 GLN 128 1HE2 GLN 128 28.177 5.022 7.135 1014 2HE2 GLN 128 2HE2 GLN 128 28.020 5.769 5.541 Start of MODEL 2 1 1H MET 1 H MET 1 -28.095 14.807 7.593 2 HA MET 1 HA MET 1 -26.673 15.359 5.120 3 1HB MET 1 1HB MET 1 -25.310 16.964 6.385 4 2HB MET 1 2HB MET 1 -26.978 17.499 6.207 5 1HG MET 1 1HG MET 1 -27.466 16.851 8.519 6 2HG MET 1 2HG MET 1 -25.834 16.215 8.730 7 1HE MET 1 1HE MET 1 -23.722 17.587 9.161 8 2HE MET 1 2HE MET 1 -23.847 18.292 7.533 9 3HE MET 1 3HE MET 1 -23.597 19.344 8.934 10 H LYS 2 H LYS 2 -24.616 14.465 5.035 11 HA LYS 2 HA LYS 2 -23.413 13.608 7.549 12 1HB LYS 2 1HB LYS 2 -23.490 11.733 5.131 13 2HB LYS 2 2HB LYS 2 -22.329 11.628 6.438 14 1HG LYS 2 1HG LYS 2 -23.771 10.097 7.231 15 2HG LYS 2 2HG LYS 2 -24.422 11.517 8.023 16 1HD LYS 2 1HD LYS 2 -26.236 10.189 7.177 17 2HD LYS 2 2HD LYS 2 -26.173 11.649 6.185 18 1HE LYS 2 1HE LYS 2 -25.028 10.448 4.401 19 2HE LYS 2 2HE LYS 2 -24.858 9.005 5.413 20 1HZ LYS 2 1HZ LYS 2 -26.691 8.884 3.808 21 2HZ LYS 2 2HZ LYS 2 -27.202 8.695 5.352 22 3HZ LYS 2 3HZ LYS 2 -27.474 10.115 4.591 23 H ALA 3 H ALA 3 -20.985 13.381 7.133 24 HA ALA 3 HA ALA 3 -20.040 15.654 5.584 25 1HB ALA 3 1HB ALA 3 -17.810 14.815 6.306 26 2HB ALA 3 2HB ALA 3 -18.933 14.911 7.674 27 3HB ALA 3 3HB ALA 3 -18.583 13.337 6.918 28 H LEU 4 H LEU 4 -18.362 15.383 3.895 29 HA LEU 4 HA LEU 4 -18.950 13.113 2.046 30 1HB LEU 4 1HB LEU 4 -17.896 15.925 1.666 31 2HB LEU 4 2HB LEU 4 -17.381 14.668 0.564 32 HG LEU 4 HG LEU 4 -19.228 15.945 -0.339 33 1HD1 LEU 4 1HD1 LEU 4 -18.892 13.521 -0.932 34 2HD1 LEU 4 2HD1 LEU 4 -20.171 13.109 0.227 35 3HD1 LEU 4 3HD1 LEU 4 -20.532 14.125 -1.178 36 1HD2 LEU 4 1HD2 LEU 4 -20.978 14.796 1.872 37 2HD2 LEU 4 2HD2 LEU 4 -20.417 16.481 1.776 38 3HD2 LEU 4 3HD2 LEU 4 -21.489 15.829 0.524 39 H GLU 5 H GLU 5 -15.964 15.061 2.511 40 HA GLU 5 HA GLU 5 -13.947 14.668 2.853 41 1HB GLU 5 1HB GLU 5 -14.666 12.128 4.338 42 2HB GLU 5 2HB GLU 5 -13.105 12.956 4.320 43 1HG GLU 5 1HG GLU 5 -14.362 15.026 5.209 44 2HG GLU 5 2HG GLU 5 -15.696 13.910 5.565 45 H HIS 6 H HIS 6 -12.136 13.464 2.265 46 HA HIS 6 HA HIS 6 -11.840 11.162 0.705 47 1HB HIS 6 1HB HIS 6 -11.697 12.135 -1.599 48 2HB HIS 6 2HB HIS 6 -13.304 11.894 -0.998 49 HD1 HIS 6 HD1 HIS 6 -13.965 13.686 -2.986 50 HD2 HIS 6 HD2 HIS 6 -11.647 15.158 0.240 51 HE1 HIS 6 HE1 HIS 6 -13.858 16.259 -3.214 52 HE2 HIS 6 HE2 HIS 6 -12.500 17.131 -1.253 53 H GLU 7 H GLU 7 -10.161 11.747 2.428 54 HA GLU 7 HA GLU 7 -8.115 12.508 3.099 55 1HB GLU 7 1HB GLU 7 -7.628 11.742 0.202 56 2HB GLU 7 2HB GLU 7 -6.337 12.142 1.336 57 1HG GLU 7 1HG GLU 7 -6.469 9.808 1.350 58 2HG GLU 7 2HG GLU 7 -7.115 10.383 2.887 59 H LYS 8 H LYS 8 -9.751 14.683 2.637 60 HA LYS 8 HA LYS 8 -9.874 16.869 2.380 61 1HB LYS 8 1HB LYS 8 -7.875 16.662 3.878 62 2HB LYS 8 2HB LYS 8 -6.862 17.029 2.492 63 1HG LYS 8 1HG LYS 8 -9.160 18.838 3.409 64 2HG LYS 8 2HG LYS 8 -7.551 18.906 4.114 65 1HD LYS 8 1HD LYS 8 -6.678 19.199 1.708 66 2HD LYS 8 2HD LYS 8 -8.366 19.587 1.282 67 1HE LYS 8 1HE LYS 8 -8.378 21.525 2.686 68 2HE LYS 8 2HE LYS 8 -6.963 20.964 3.589 69 1HZ LYS 8 1HZ LYS 8 -6.251 22.663 2.159 70 2HZ LYS 8 2HZ LYS 8 -5.648 21.266 1.557 71 3HZ LYS 8 3HZ LYS 8 -6.918 21.996 0.819 72 H THR 9 H THR 9 -6.878 16.791 0.410 73 HA THR 9 HA THR 9 -8.433 17.439 -1.990 74 HB THR 9 HB THR 9 -5.971 17.845 -2.785 75 HG1 THR 9 1HG THR 9 -4.978 16.969 -0.890 76 1HG2 THR 9 1HG2 THR 9 -7.683 19.589 -2.380 77 2HG2 THR 9 2HG2 THR 9 -7.270 19.591 -0.655 78 3HG2 THR 9 3HG2 THR 9 -6.066 20.115 -1.851 79 HA PRO 10 HA PRO 10 -7.530 12.981 -2.595 80 1HB PRO 10 1HB PRO 10 -9.448 12.382 -4.437 81 2HB PRO 10 2HB PRO 10 -9.806 12.557 -2.694 82 1HG PRO 10 1HG PRO 10 -10.015 14.685 -4.863 83 2HG PRO 10 2HG PRO 10 -11.296 14.176 -3.728 84 1HD PRO 10 1HD PRO 10 -9.775 16.332 -3.188 85 2HD PRO 10 2HD PRO 10 -10.117 15.183 -1.879 86 H GLU 11 H GLU 11 -7.534 15.642 -4.897 87 HA GLU 11 HA GLU 11 -6.510 14.004 -7.120 88 1HB GLU 11 1HB GLU 11 -6.529 17.006 -6.677 89 2HB GLU 11 2HB GLU 11 -5.821 16.214 -8.075 90 1HG GLU 11 1HG GLU 11 -7.778 16.123 -9.120 91 2HG GLU 11 2HG GLU 11 -8.446 15.108 -7.854 92 H LEU 12 H LEU 12 -5.247 15.934 -4.440 93 HA LEU 12 HA LEU 12 -2.451 15.554 -5.135 94 1HB LEU 12 1HB LEU 12 -3.181 17.414 -3.634 95 2HB LEU 12 2HB LEU 12 -3.702 16.217 -2.449 96 HG LEU 12 HG LEU 12 -1.079 15.384 -2.938 97 1HD1 LEU 12 1HD1 LEU 12 -1.001 18.402 -2.983 98 2HD1 LEU 12 2HD1 LEU 12 0.373 17.268 -2.934 99 3HD1 LEU 12 3HD1 LEU 12 -0.659 17.334 -4.366 100 1HD2 LEU 12 1HD2 LEU 12 -1.992 17.312 -0.822 101 2HD2 LEU 12 2HD2 LEU 12 -2.145 15.533 -0.788 102 3HD2 LEU 12 3HD2 LEU 12 -0.538 16.269 -0.793 103 H ALA 13 H ALA 13 -4.768 13.987 -2.830 104 HA ALA 13 HA ALA 13 -2.855 12.224 -1.719 105 1HB ALA 13 1HB ALA 13 -4.757 11.037 -0.781 106 2HB ALA 13 2HB ALA 13 -5.076 12.781 -0.716 107 3HB ALA 13 3HB ALA 13 -5.853 11.774 -1.959 108 H ALA 14 H ALA 14 -4.883 11.922 -4.622 109 HA ALA 14 HA ALA 14 -4.055 9.151 -5.114 110 1HB ALA 14 1HB ALA 14 -6.230 9.992 -5.895 111 2HB ALA 14 2HB ALA 14 -5.390 11.149 -6.969 112 3HB ALA 14 3HB ALA 14 -5.223 9.398 -7.231 113 H LYS 15 H LYS 15 -2.795 12.437 -5.970 114 HA LYS 15 HA LYS 15 -0.990 11.404 -8.002 115 1HB LYS 15 1HB LYS 15 -1.469 13.981 -6.493 116 2HB LYS 15 2HB LYS 15 0.107 13.751 -7.190 117 1HG LYS 15 1HG LYS 15 -2.499 13.490 -8.783 118 2HG LYS 15 2HG LYS 15 -1.547 14.979 -8.633 119 1HD LYS 15 1HD LYS 15 0.458 13.599 -9.444 120 2HD LYS 15 2HD LYS 15 -0.706 12.360 -9.959 121 1HE LYS 15 1HE LYS 15 -1.847 13.930 -11.416 122 2HE LYS 15 2HE LYS 15 -0.907 15.283 -10.766 123 1HZ LYS 15 1HZ LYS 15 1.081 14.272 -11.698 124 2HZ LYS 15 2HZ LYS 15 0.196 13.070 -12.375 125 3HZ LYS 15 3HZ LYS 15 -0.040 14.651 -12.839 126 H LEU 16 H LEU 16 -0.903 12.020 -4.524 127 HA LEU 16 HA LEU 16 1.860 11.421 -4.123 128 1HB LEU 16 1HB LEU 16 0.297 12.652 -2.562 129 2HB LEU 16 2HB LEU 16 -0.577 11.159 -2.302 130 HG LEU 16 HG LEU 16 0.732 11.565 -0.400 131 1HD1 LEU 16 1HD1 LEU 16 2.075 9.663 -0.057 132 2HD1 LEU 16 2HD1 LEU 16 0.793 9.143 -1.155 133 3HD1 LEU 16 3HD1 LEU 16 2.437 9.464 -1.762 134 1HD2 LEU 16 1HD2 LEU 16 3.113 11.859 -2.275 135 2HD2 LEU 16 2HD2 LEU 16 2.264 13.170 -1.435 136 3HD2 LEU 16 3HD2 LEU 16 3.175 11.982 -0.520 137 H ALA 17 H ALA 17 -1.178 9.440 -4.131 138 HA ALA 17 HA ALA 17 0.049 6.954 -3.706 139 1HB ALA 17 1HB ALA 17 -1.890 5.936 -4.651 140 2HB ALA 17 2HB ALA 17 -2.450 7.359 -3.760 141 3HB ALA 17 3HB ALA 17 -2.347 7.388 -5.529 142 H ALA 18 H ALA 18 -0.219 8.865 -6.753 143 HA ALA 18 HA ALA 18 0.740 6.803 -8.486 144 1HB ALA 18 1HB ALA 18 1.063 9.803 -8.916 145 2HB ALA 18 2HB ALA 18 1.031 8.522 -10.126 146 3HB ALA 18 3HB ALA 18 -0.449 8.917 -9.225 147 H GLU 19 H GLU 19 2.418 9.496 -6.784 148 HA GLU 19 HA GLU 19 5.068 8.918 -7.616 149 1HB GLU 19 1HB GLU 19 3.909 10.153 -5.078 150 2HB GLU 19 2HB GLU 19 5.637 9.996 -5.333 151 1HG GLU 19 1HG GLU 19 3.788 11.493 -7.244 152 2HG GLU 19 2HG GLU 19 4.658 12.244 -5.903 153 H ALA 20 H ALA 20 3.176 7.706 -4.846 154 HA ALA 20 HA ALA 20 5.218 6.070 -3.709 155 1HB ALA 20 1HB ALA 20 3.349 5.050 -2.451 156 2HB ALA 20 2HB ALA 20 3.196 6.817 -2.472 157 3HB ALA 20 3HB ALA 20 2.176 5.821 -3.536 158 H ILE 21 H ILE 21 2.596 5.364 -6.023 159 HA ILE 21 HA ILE 21 3.221 2.614 -6.391 160 HB ILE 21 HB ILE 21 1.780 4.761 -7.989 161 1HG1 ILE 21 1HG1 ILE 21 0.887 2.029 -7.008 162 2HG1 ILE 21 2HG1 ILE 21 0.707 3.504 -6.072 163 1HG2 ILE 21 1HG2 ILE 21 2.519 2.054 -9.073 164 2HG2 ILE 21 2HG2 ILE 21 1.236 3.068 -9.788 165 3HG2 ILE 21 3HG2 ILE 21 2.902 3.601 -9.752 166 1HD1 ILE 21 1HD1 ILE 21 -1.392 2.979 -7.160 167 2HD1 ILE 21 2HD1 ILE 21 -0.727 4.457 -7.888 168 3HD1 ILE 21 3HD1 ILE 21 -0.634 2.899 -8.743 169 H GLU 22 H GLU 22 4.564 5.556 -7.942 170 HA GLU 22 HA GLU 22 6.100 3.977 -9.775 171 1HB GLU 22 1HB GLU 22 5.356 6.285 -10.209 172 2HB GLU 22 2HB GLU 22 6.349 6.873 -8.884 173 1HG GLU 22 1HG GLU 22 7.422 7.330 -10.995 174 2HG GLU 22 2HG GLU 22 8.386 6.171 -10.091 175 H ARG 23 H ARG 23 6.459 4.562 -6.419 176 HA ARG 23 HA ARG 23 9.371 4.035 -6.418 177 1HB ARG 23 1HB ARG 23 8.044 5.898 -5.013 178 2HB ARG 23 2HB ARG 23 7.754 4.558 -3.919 179 1HG ARG 23 1HG ARG 23 10.119 4.198 -3.646 180 2HG ARG 23 2HG ARG 23 10.505 5.372 -4.938 181 1HD ARG 23 1HD ARG 23 9.287 7.093 -3.445 182 2HD ARG 23 2HD ARG 23 9.443 5.904 -2.153 183 HE ARG 23 HE ARG 23 11.275 7.797 -2.756 184 1HH1 ARG 23 2HH2 ARG 23 11.819 4.248 -3.065 185 2HH1 ARG 23 1HH2 ARG 23 13.185 4.283 -2.021 186 1HH2 ARG 23 2HH1 ARG 23 13.486 7.792 -2.075 187 2HH2 ARG 23 1HH1 ARG 23 14.264 6.294 -1.733 188 H ASP 24 H ASP 24 6.391 2.219 -6.120 189 HA ASP 24 HA ASP 24 7.886 0.100 -4.658 190 1HB ASP 24 1HB ASP 24 6.166 1.319 -3.223 191 2HB ASP 24 2HB ASP 24 4.966 0.642 -4.243 192 HA PRO 25 HA PRO 25 6.531 -2.120 -8.300 193 1HB PRO 25 1HB PRO 25 7.313 -4.684 -7.538 194 2HB PRO 25 2HB PRO 25 8.385 -3.433 -8.235 195 1HG PRO 25 1HG PRO 25 8.054 -4.174 -5.344 196 2HG PRO 25 2HG PRO 25 9.551 -3.791 -6.235 197 1HD PRO 25 1HD PRO 25 8.267 -1.996 -4.638 198 2HD PRO 25 2HD PRO 25 9.142 -1.487 -6.112 199 H TRP 26 H TRP 26 5.699 -3.426 -4.993 200 HA TRP 26 HA TRP 26 3.456 -4.895 -5.991 201 1HB TRP 26 1HB TRP 26 4.404 -5.416 -3.804 202 2HB TRP 26 2HB TRP 26 3.965 -3.831 -3.195 203 HD1 TRP 26 HD TRP 26 2.049 -3.998 -1.665 204 HE1 TRP 26 1HE TRP 26 -0.212 -5.165 -1.536 205 HE3 TRP 26 3HE TRP 26 2.504 -6.913 -5.828 206 HZ2 TRP 26 2HZ TRP 26 -1.599 -7.258 -3.046 207 HZ3 TRP 26 3HZ TRP 26 0.789 -8.600 -6.375 208 HH2 TRP 26 HH TRP 26 -1.281 -8.765 -5.010 209 H ALA 27 H ALA 27 3.782 -1.528 -4.655 210 HA ALA 27 HA ALA 27 0.982 -1.017 -4.672 211 1HB ALA 27 1HB ALA 27 3.183 0.945 -5.320 212 2HB ALA 27 2HB ALA 27 1.559 1.356 -4.727 213 3HB ALA 27 3HB ALA 27 2.718 0.508 -3.677 214 H ALA 28 H ALA 28 3.390 -0.699 -7.358 215 HA ALA 28 HA ALA 28 1.506 0.316 -9.272 216 1HB ALA 28 1HB ALA 28 4.020 -1.378 -9.743 217 2HB ALA 28 2HB ALA 28 3.201 -0.357 -10.938 218 3HB ALA 28 3HB ALA 28 4.025 0.381 -9.548 219 H GLN 29 H GLN 29 2.551 -2.995 -8.454 220 HA GLN 29 HA GLN 29 0.973 -4.300 -10.429 221 1HB GLN 29 1HB GLN 29 2.131 -5.166 -7.757 222 2HB GLN 29 2HB GLN 29 1.201 -6.263 -8.768 223 1HG GLN 29 1HG GLN 29 2.720 -5.813 -10.681 224 2HG GLN 29 2HG GLN 29 3.678 -4.717 -9.706 225 1HE2 GLN 29 1HE2 GLN 29 4.914 -6.735 -10.978 226 2HE2 GLN 29 2HE2 GLN 29 5.332 -8.088 -9.935 227 H VAL 30 H VAL 30 0.114 -3.328 -7.073 228 HA VAL 30 HA VAL 30 -2.480 -4.450 -7.107 229 HB VAL 30 HB VAL 30 -1.213 -2.168 -5.531 230 1HG1 VAL 30 1HG1 VAL 30 -3.975 -3.361 -5.060 231 2HG1 VAL 30 2HG1 VAL 30 -3.078 -2.368 -3.887 232 3HG1 VAL 30 3HG1 VAL 30 -3.591 -1.662 -5.414 233 1HG2 VAL 30 1HG2 VAL 30 -2.004 -5.035 -4.884 234 2HG2 VAL 30 2HG2 VAL 30 -0.373 -4.436 -5.122 235 3HG2 VAL 30 3HG2 VAL 30 -1.290 -3.874 -3.724 236 H SER 31 H SER 31 -1.329 -1.410 -8.469 237 HA SER 31 HA SER 31 -3.962 -0.334 -8.941 238 1HB SER 31 1HB SER 31 -1.909 1.010 -8.986 239 2HB SER 31 2HB SER 31 -1.332 0.129 -10.403 240 HG SER 31 HG SER 31 -2.747 1.068 -11.645 241 H GLN 32 H GLN 32 -1.858 -2.648 -10.688 242 HA GLN 32 HA GLN 32 -3.674 -2.750 -12.984 243 1HB GLN 32 1HB GLN 32 -1.275 -3.002 -13.336 244 2HB GLN 32 2HB GLN 32 -1.219 -4.422 -12.268 245 1HG GLN 32 1HG GLN 32 -2.618 -5.700 -13.766 246 2HG GLN 32 2HG GLN 32 -3.011 -4.246 -14.694 247 1HE2 GLN 32 1HE2 GLN 32 0.428 -4.530 -13.955 248 2HE2 GLN 32 2HE2 GLN 32 0.838 -5.143 -15.539 249 H LEU 33 H LEU 33 -3.230 -4.489 -9.954 250 HA LEU 33 HA LEU 33 -4.927 -6.742 -10.637 251 1HB LEU 33 1HB LEU 33 -4.298 -5.505 -7.919 252 2HB LEU 33 2HB LEU 33 -5.158 -7.014 -8.181 253 HG LEU 33 HG LEU 33 -2.227 -6.434 -8.397 254 1HD1 LEU 33 1HD1 LEU 33 -3.200 -7.412 -6.363 255 2HD1 LEU 33 2HD1 LEU 33 -3.809 -8.787 -7.325 256 3HD1 LEU 33 3HD1 LEU 33 -2.065 -8.504 -7.167 257 1HD2 LEU 33 1HD2 LEU 33 -2.531 -7.343 -10.565 258 2HD2 LEU 33 2HD2 LEU 33 -1.986 -8.689 -9.538 259 3HD2 LEU 33 3HD2 LEU 33 -3.688 -8.551 -9.989 260 H SER 34 H SER 34 -5.511 -3.502 -9.878 261 HA SER 34 HA SER 34 -7.332 -2.270 -9.145 262 1HB SER 34 1HB SER 34 -8.678 -3.632 -11.471 263 2HB SER 34 2HB SER 34 -8.745 -1.936 -10.979 264 HG SER 34 HG SER 34 -6.351 -1.976 -11.557 265 H LEU 35 H LEU 35 -7.488 -3.832 -7.205 266 HA LEU 35 HA LEU 35 -9.562 -5.830 -7.113 267 1HB LEU 35 1HB LEU 35 -8.225 -4.219 -4.920 268 2HB LEU 35 2HB LEU 35 -9.303 -5.568 -4.633 269 HG LEU 35 HG LEU 35 -7.273 -6.498 -4.274 270 1HD1 LEU 35 1HD1 LEU 35 -6.779 -8.111 -6.015 271 2HD1 LEU 35 2HD1 LEU 35 -8.530 -7.902 -5.850 272 3HD1 LEU 35 3HD1 LEU 35 -7.660 -7.153 -7.213 273 1HD2 LEU 35 1HD2 LEU 35 -5.897 -4.628 -5.006 274 2HD2 LEU 35 2HD2 LEU 35 -5.235 -6.173 -5.558 275 3HD2 LEU 35 3HD2 LEU 35 -6.096 -5.117 -6.695 276 HA PRO 36 HA PRO 36 -13.131 -3.256 -6.527 277 1HB PRO 36 1HB PRO 36 -14.732 -4.669 -4.790 278 2HB PRO 36 2HB PRO 36 -14.411 -5.162 -6.455 279 1HG PRO 36 1HG PRO 36 -12.945 -6.115 -3.976 280 2HG PRO 36 2HG PRO 36 -13.702 -7.106 -5.266 281 1HD PRO 36 1HD PRO 36 -11.079 -6.576 -5.378 282 2HD PRO 36 2HD PRO 36 -12.053 -6.431 -6.862 283 H LYS 37 H LYS 37 -13.570 -4.231 -3.157 284 HA LYS 37 HA LYS 37 -12.133 -1.829 -2.197 285 1HB LYS 37 1HB LYS 37 -14.783 -1.601 -2.731 286 2HB LYS 37 2HB LYS 37 -14.905 -2.292 -1.132 287 1HG LYS 37 1HG LYS 37 -14.569 -0.251 -0.261 288 2HG LYS 37 2HG LYS 37 -12.929 -0.244 -0.879 289 1HD LYS 37 1HD LYS 37 -15.427 0.753 -2.307 290 2HD LYS 37 2HD LYS 37 -14.188 1.766 -1.584 291 1HE LYS 37 1HE LYS 37 -13.711 -0.126 -3.942 292 2HE LYS 37 2HE LYS 37 -14.135 1.577 -4.092 293 1HZ LYS 37 1HZ LYS 37 -11.646 0.516 -2.938 294 2HZ LYS 37 2HZ LYS 37 -11.844 1.411 -4.296 295 3HZ LYS 37 3HZ LYS 37 -12.093 2.065 -2.791 296 H LEU 38 H LEU 38 -13.949 -4.778 -1.286 297 HA LEU 38 HA LEU 38 -12.820 -5.013 1.333 298 1HB LEU 38 1HB LEU 38 -14.870 -6.184 0.402 299 2HB LEU 38 2HB LEU 38 -13.814 -7.219 -0.534 300 HG LEU 38 HG LEU 38 -14.672 -8.314 1.439 301 1HD1 LEU 38 1HD1 LEU 38 -12.376 -8.908 0.605 302 2HD1 LEU 38 2HD1 LEU 38 -11.703 -7.929 1.938 303 3HD1 LEU 38 3HD1 LEU 38 -12.709 -9.329 2.283 304 1HD2 LEU 38 1HD2 LEU 38 -13.204 -6.241 3.108 305 2HD2 LEU 38 2HD2 LEU 38 -14.959 -6.355 2.892 306 3HD2 LEU 38 3HD2 LEU 38 -14.079 -7.656 3.711 307 H VAL 39 H VAL 39 -12.019 -6.749 -1.702 308 HA VAL 39 HA VAL 39 -9.623 -7.879 -0.636 309 HB VAL 39 HB VAL 39 -10.288 -7.544 -3.584 310 1HG1 VAL 39 1HG1 VAL 39 -8.053 -8.470 -3.131 311 2HG1 VAL 39 2HG1 VAL 39 -8.752 -9.684 -2.050 312 3HG1 VAL 39 3HG1 VAL 39 -9.108 -9.723 -3.789 313 1HG2 VAL 39 1HG2 VAL 39 -11.439 -9.795 -3.345 314 2HG2 VAL 39 2HG2 VAL 39 -11.397 -9.557 -1.594 315 3HG2 VAL 39 3HG2 VAL 39 -12.317 -8.453 -2.635 316 H GLU 40 H GLU 40 -10.306 -4.796 -2.115 317 HA GLU 40 HA GLU 40 -7.639 -4.008 -2.883 318 1HB GLU 40 1HB GLU 40 -9.721 -2.837 -3.611 319 2HB GLU 40 2HB GLU 40 -10.086 -2.515 -1.924 320 1HG GLU 40 1HG GLU 40 -7.808 -1.220 -1.902 321 2HG GLU 40 2HG GLU 40 -7.947 -1.264 -3.658 322 H GLN 41 H GLN 41 -9.586 -3.713 0.142 323 HA GLN 41 HA GLN 41 -7.630 -2.374 1.621 324 1HB GLN 41 1HB GLN 41 -10.154 -2.907 2.025 325 2HB GLN 41 2HB GLN 41 -9.576 -4.349 2.858 326 1HG GLN 41 1HG GLN 41 -8.459 -3.019 4.522 327 2HG GLN 41 2HG GLN 41 -8.558 -1.562 3.515 328 1HE2 GLN 41 1HE2 GLN 41 -10.242 -3.368 5.976 329 2HE2 GLN 41 2HE2 GLN 41 -11.677 -2.353 5.945 330 H VAL 42 H VAL 42 -7.834 -5.805 0.804 331 HA VAL 42 HA VAL 42 -5.873 -6.681 2.773 332 HB VAL 42 HB VAL 42 -6.983 -7.960 0.234 333 1HG1 VAL 42 1HG1 VAL 42 -4.702 -8.897 0.689 334 2HG1 VAL 42 2HG1 VAL 42 -5.238 -9.324 2.320 335 3HG1 VAL 42 3HG1 VAL 42 -6.016 -10.057 0.910 336 1HG2 VAL 42 1HG2 VAL 42 -7.377 -8.463 3.189 337 2HG2 VAL 42 2HG2 VAL 42 -8.554 -7.650 2.123 338 3HG2 VAL 42 3HG2 VAL 42 -8.166 -9.363 1.877 339 H ALA 43 H ALA 43 -5.807 -6.130 -0.785 340 HA ALA 43 HA ALA 43 -3.026 -6.487 -1.097 341 1HB ALA 43 1HB ALA 43 -4.678 -6.473 -2.942 342 2HB ALA 43 2HB ALA 43 -4.964 -4.732 -2.672 343 3HB ALA 43 3HB ALA 43 -3.381 -5.300 -3.224 344 H LEU 44 H LEU 44 -4.877 -3.697 -0.042 345 HA LEU 44 HA LEU 44 -2.724 -1.814 -0.195 346 1HB LEU 44 1HB LEU 44 -5.469 -1.731 1.060 347 2HB LEU 44 2HB LEU 44 -4.308 -0.450 1.345 348 HG LEU 44 HG LEU 44 -5.341 -1.238 -1.409 349 1HD1 LEU 44 1HD1 LEU 44 -7.033 -0.154 0.052 350 2HD1 LEU 44 2HD1 LEU 44 -5.906 1.182 0.365 351 3HD1 LEU 44 3HD1 LEU 44 -6.542 0.914 -1.272 352 1HD2 LEU 44 1HD2 LEU 44 -3.459 1.004 -0.538 353 2HD2 LEU 44 2HD2 LEU 44 -3.113 -0.314 -1.685 354 3HD2 LEU 44 3HD2 LEU 44 -4.274 0.930 -2.114 355 H ASN 45 H ASN 45 -4.006 -3.952 2.436 356 HA ASN 45 HA ASN 45 -2.135 -2.519 4.282 357 1HB ASN 45 1HB ASN 45 -4.532 -4.250 4.910 358 2HB ASN 45 2HB ASN 45 -3.368 -3.681 6.102 359 1HD2 ASN 45 1HD2 ASN 45 -5.882 -2.661 3.912 360 2HD2 ASN 45 2HD2 ASN 45 -6.145 -1.072 4.653 361 H ALA 46 H ALA 46 -1.434 -4.604 2.156 362 HA ALA 46 HA ALA 46 0.244 -6.160 3.999 363 1HB ALA 46 1HB ALA 46 0.064 -8.084 2.416 364 2HB ALA 46 2HB ALA 46 -1.503 -7.711 3.154 365 3HB ALA 46 3HB ALA 46 -1.176 -7.191 1.499 366 H TRP 47 H TRP 47 2.253 -6.683 3.197 367 HA TRP 47 HA TRP 47 3.157 -5.132 0.806 368 1HB TRP 47 1HB TRP 47 5.399 -5.195 1.742 369 2HB TRP 47 2HB TRP 47 4.318 -4.305 2.780 370 HD1 TRP 47 HD TRP 47 3.783 -5.316 5.187 371 HE1 TRP 47 1HE TRP 47 5.127 -6.852 6.677 372 HE3 TRP 47 3HE TRP 47 6.807 -7.409 1.617 373 HZ2 TRP 47 2HZ TRP 47 7.314 -8.803 6.370 374 HZ3 TRP 47 3HZ TRP 47 8.521 -9.071 2.274 375 HH2 TRP 47 HH TRP 47 8.760 -9.797 4.587 376 H LYS 48 H LYS 48 4.298 -6.357 -0.739 377 HA LYS 48 HA LYS 48 3.589 -9.218 -0.592 378 1HB LYS 48 1HB LYS 48 2.787 -7.791 -2.424 379 2HB LYS 48 2HB LYS 48 4.408 -7.408 -2.896 380 1HG LYS 48 1HG LYS 48 3.833 -10.300 -2.709 381 2HG LYS 48 2HG LYS 48 2.848 -9.455 -3.900 382 1HD LYS 48 1HD LYS 48 5.890 -9.229 -3.838 383 2HD LYS 48 2HD LYS 48 5.003 -10.453 -4.760 384 1HE LYS 48 1HE LYS 48 3.813 -8.769 -6.041 385 2HE LYS 48 2HE LYS 48 4.649 -7.486 -5.153 386 1HZ LYS 48 1HZ LYS 48 5.625 -7.929 -7.267 387 2HZ LYS 48 2HZ LYS 48 6.711 -8.246 -6.058 388 3HZ LYS 48 3HZ LYS 48 5.995 -9.485 -6.888 389 H GLU 49 H GLU 49 5.062 -10.813 -0.516 390 HA GLU 49 HA GLU 49 7.924 -10.183 -0.905 391 1HB GLU 49 1HB GLU 49 7.318 -10.679 1.465 392 2HB GLU 49 2HB GLU 49 6.696 -12.238 0.969 393 1HG GLU 49 1HG GLU 49 8.965 -12.449 1.869 394 2HG GLU 49 2HG GLU 49 8.918 -12.916 0.173 395 H GLU 50 H GLU 50 8.207 -10.922 -2.953 396 HA GLU 50 HA GLU 50 6.552 -13.128 -4.016 397 1HB GLU 50 1HB GLU 50 6.864 -11.130 -5.348 398 2HB GLU 50 2HB GLU 50 8.590 -11.275 -5.301 399 1HG GLU 50 1HG GLU 50 8.625 -13.054 -6.802 400 2HG GLU 50 2HG GLU 50 7.043 -13.637 -6.323 401 H SER 51 H SER 51 7.326 -15.208 -4.361 402 HA SER 51 HA SER 51 10.017 -15.858 -3.355 403 1HB SER 51 1HB SER 51 7.459 -17.488 -3.533 404 2HB SER 51 2HB SER 51 8.948 -17.984 -2.744 405 HG SER 51 HG SER 51 8.627 -16.156 -1.297 406 H ASP 52 H ASP 52 10.536 -18.123 -4.492 407 HA ASP 52 HA ASP 52 11.247 -17.652 -7.100 408 1HB ASP 52 1HB ASP 52 12.024 -19.442 -5.532 409 2HB ASP 52 2HB ASP 52 10.596 -20.386 -5.957 410 H ASN 53 H ASN 53 8.294 -19.445 -6.043 411 HA ASN 53 HA ASN 53 6.925 -18.438 -8.408 412 1HB ASN 53 1HB ASN 53 8.014 -20.734 -9.033 413 2HB ASN 53 2HB ASN 53 6.709 -21.433 -8.076 414 1HD2 ASN 53 1HD2 ASN 53 4.632 -21.529 -9.117 415 2HD2 ASN 53 2HD2 ASN 53 4.274 -20.805 -10.653 416 H ALA 54 H ALA 54 6.612 -17.690 -5.723 417 HA ALA 54 HA ALA 54 3.824 -18.349 -5.400 418 1HB ALA 54 1HB ALA 54 4.960 -20.022 -3.875 419 2HB ALA 54 2HB ALA 54 5.790 -18.689 -3.061 420 3HB ALA 54 3HB ALA 54 4.032 -18.806 -2.973 421 H VAL 55 H VAL 55 2.950 -16.669 -3.777 422 HA VAL 55 HA VAL 55 4.725 -14.324 -3.485 423 HB VAL 55 HB VAL 55 2.012 -14.171 -4.904 424 1HG1 VAL 55 1HG1 VAL 55 2.804 -11.726 -5.161 425 2HG1 VAL 55 2HG1 VAL 55 2.336 -12.205 -3.517 426 3HG1 VAL 55 3HG1 VAL 55 4.053 -12.148 -3.961 427 1HG2 VAL 55 1HG2 VAL 55 3.831 -14.913 -6.465 428 2HG2 VAL 55 2HG2 VAL 55 3.320 -13.269 -6.823 429 3HG2 VAL 55 3HG2 VAL 55 4.823 -13.553 -5.935 430 H CYS 56 H CYS 56 4.662 -13.869 -1.357 431 HA CYS 56 HA CYS 56 2.204 -14.628 0.153 432 1HB CYS 56 1HB CYS 56 5.058 -14.233 1.049 433 2HB CYS 56 2HB CYS 56 3.699 -14.651 2.115 434 HG CYS 56 HG CYS 56 4.916 -16.864 1.810 435 H LEU 57 H LEU 57 0.917 -12.947 0.521 436 HA LEU 57 HA LEU 57 1.970 -10.206 0.763 437 1HB LEU 57 1HB LEU 57 -0.756 -11.484 0.481 438 2HB LEU 57 2HB LEU 57 -0.666 -9.878 1.195 439 HG LEU 57 HG LEU 57 0.710 -10.555 -1.428 440 1HD1 LEU 57 1HD1 LEU 57 -1.968 -9.145 -1.189 441 2HD1 LEU 57 2HD1 LEU 57 -1.096 -9.668 -2.655 442 3HD1 LEU 57 3HD1 LEU 57 -1.797 -10.867 -1.576 443 1HD2 LEU 57 1HD2 LEU 57 1.389 -8.429 -0.109 444 2HD2 LEU 57 2HD2 LEU 57 0.840 -8.231 -1.759 445 3HD2 LEU 57 3HD2 LEU 57 -0.240 -7.833 -0.423 446 H HIS 58 H HIS 58 2.882 -9.736 2.638 447 HA HIS 58 HA HIS 58 2.042 -11.018 5.172 448 1HB HIS 58 1HB HIS 58 4.080 -8.900 4.472 449 2HB HIS 58 2HB HIS 58 3.820 -9.502 6.106 450 HD1 HIS 58 HD1 HIS 58 5.763 -11.199 6.737 451 HD2 HIS 58 HD2 HIS 58 4.731 -11.141 2.624 452 HE1 HIS 58 HE1 HIS 58 7.424 -12.684 5.513 453 HE2 HIS 58 HE2 HIS 58 6.724 -12.813 3.085 454 H LEU 59 H LEU 59 0.024 -10.325 5.687 455 HA LEU 59 HA LEU 59 -0.775 -7.505 5.266 456 1HB LEU 59 1HB LEU 59 -2.306 -9.431 4.659 457 2HB LEU 59 2HB LEU 59 -2.337 -9.890 6.350 458 HG LEU 59 HG LEU 59 -2.994 -7.079 6.269 459 1HD1 LEU 59 1HD1 LEU 59 -4.671 -8.676 4.313 460 2HD1 LEU 59 2HD1 LEU 59 -4.993 -7.025 4.883 461 3HD1 LEU 59 3HD1 LEU 59 -3.573 -7.344 3.883 462 1HD2 LEU 59 1HD2 LEU 59 -3.843 -8.849 7.864 463 2HD2 LEU 59 2HD2 LEU 59 -5.057 -7.725 7.216 464 3HD2 LEU 59 3HD2 LEU 59 -4.967 -9.358 6.580 465 H ARG 60 H ARG 60 -0.971 -6.076 6.900 466 HA ARG 60 HA ARG 60 0.283 -6.490 9.410 467 1HB ARG 60 1HB ARG 60 -1.762 -4.471 8.419 468 2HB ARG 60 2HB ARG 60 -1.292 -4.491 10.102 469 1HG ARG 60 1HG ARG 60 0.701 -4.147 7.827 470 2HG ARG 60 2HG ARG 60 -0.036 -2.845 8.771 471 1HD ARG 60 1HD ARG 60 0.879 -4.198 10.863 472 2HD ARG 60 2HD ARG 60 1.951 -4.949 9.694 473 HE ARG 60 HE ARG 60 3.018 -2.924 9.278 474 1HH1 ARG 60 2HH2 ARG 60 0.507 -2.576 11.797 475 2HH1 ARG 60 1HH2 ARG 60 1.065 -1.071 12.392 476 1HH2 ARG 60 2HH1 ARG 60 3.624 -0.704 9.904 477 2HH2 ARG 60 1HH1 ARG 60 2.739 0.092 11.141 478 H SER 61 H SER 61 -0.332 -7.588 11.141 479 HA SER 61 HA SER 61 -2.690 -9.015 11.460 480 1HB SER 61 1HB SER 61 -0.562 -9.321 12.743 481 2HB SER 61 2HB SER 61 -0.977 -7.866 13.674 482 HG SER 61 HG SER 61 -2.145 -10.435 13.697 483 H SER 62 H SER 62 -2.077 -5.623 11.958 484 HA SER 62 HA SER 62 -4.095 -4.782 13.709 485 1HB SER 62 1HB SER 62 -3.107 -3.308 11.253 486 2HB SER 62 2HB SER 62 -3.569 -2.636 12.825 487 HG SER 62 HG SER 62 -1.740 -3.662 13.712 488 H GLN 63 H GLN 63 -4.098 -5.476 10.225 489 HA GLN 63 HA GLN 63 -7.026 -4.968 9.999 490 1HB GLN 63 1HB GLN 63 -4.735 -4.868 8.017 491 2HB GLN 63 2HB GLN 63 -6.380 -5.131 7.457 492 1HG GLN 63 1HG GLN 63 -6.023 -2.810 7.306 493 2HG GLN 63 2HG GLN 63 -7.156 -3.092 8.611 494 1HE2 GLN 63 1HE2 GLN 63 -6.780 -1.587 10.216 495 2HE2 GLN 63 2HE2 GLN 63 -5.191 -1.121 10.783 496 H ARG 64 H ARG 64 -5.449 -7.568 10.991 497 HA ARG 64 HA ARG 64 -5.727 -9.479 8.987 498 1HB ARG 64 1HB ARG 64 -5.477 -11.175 10.614 499 2HB ARG 64 2HB ARG 64 -4.476 -9.801 11.004 500 1HG ARG 64 1HG ARG 64 -5.186 -10.119 13.078 501 2HG ARG 64 2HG ARG 64 -6.595 -9.185 12.589 502 1HD ARG 64 1HD ARG 64 -7.899 -11.210 12.250 503 2HD ARG 64 2HD ARG 64 -6.471 -12.232 12.385 504 HE ARG 64 HE ARG 64 -8.023 -11.079 14.560 505 1HH1 ARG 64 2HH2 ARG 64 -4.749 -12.347 13.741 506 2HH1 ARG 64 1HH2 ARG 64 -4.301 -12.485 15.405 507 1HH2 ARG 64 2HH1 ARG 64 -7.423 -11.436 16.676 508 2HH2 ARG 64 1HH1 ARG 64 -5.904 -12.248 17.064 509 H HIS 65 H HIS 65 -8.492 -8.116 10.643 510 HA HIS 65 HA HIS 65 -10.160 -10.419 10.264 511 1HB HIS 65 1HB HIS 65 -10.641 -8.075 11.487 512 2HB HIS 65 2HB HIS 65 -11.313 -7.654 9.915 513 HD1 HIS 65 HD1 HIS 65 -11.630 -10.416 12.612 514 HD2 HIS 65 HD2 HIS 65 -13.716 -8.711 9.350 515 HE1 HIS 65 HE1 HIS 65 -13.973 -11.520 12.547 516 HE2 HIS 65 HE2 HIS 65 -15.226 -10.458 10.555 517 H LEU 66 H LEU 66 -8.712 -8.255 7.974 518 HA LEU 66 HA LEU 66 -10.620 -8.820 5.811 519 1HB LEU 66 1HB LEU 66 -8.025 -7.223 6.028 520 2HB LEU 66 2HB LEU 66 -8.827 -7.517 4.515 521 HG LEU 66 HG LEU 66 -9.257 -5.291 5.389 522 1HD1 LEU 66 1HD1 LEU 66 -11.636 -5.260 4.842 523 2HD1 LEU 66 2HD1 LEU 66 -10.756 -6.360 3.773 524 3HD1 LEU 66 3HD1 LEU 66 -11.740 -7.016 5.090 525 1HD2 LEU 66 1HD2 LEU 66 -10.830 -4.865 7.200 526 2HD2 LEU 66 2HD2 LEU 66 -10.995 -6.589 7.516 527 3HD2 LEU 66 3HD2 LEU 66 -9.439 -5.776 7.815 528 H ASN 67 H ASN 67 -7.786 -10.374 7.169 529 HA ASN 67 HA ASN 67 -7.005 -11.582 4.576 530 1HB ASN 67 1HB ASN 67 -5.106 -11.357 6.006 531 2HB ASN 67 2HB ASN 67 -5.983 -12.028 7.407 532 1HD2 ASN 67 1HD2 ASN 67 -4.666 -13.913 7.759 533 2HD2 ASN 67 2HD2 ASN 67 -4.493 -15.145 6.532 534 H ASN 68 H ASN 68 -8.895 -12.499 3.967 535 HA ASN 68 HA ASN 68 -9.474 -15.051 5.375 536 1HB ASN 68 1HB ASN 68 -11.773 -14.851 5.264 537 2HB ASN 68 2HB ASN 68 -11.250 -13.288 5.847 538 1HD2 ASN 68 1HD2 ASN 68 -13.095 -14.898 3.511 539 2HD2 ASN 68 2HD2 ASN 68 -13.532 -13.466 2.573 540 H ARG 69 H ARG 69 -9.833 -16.827 3.974 541 HA ARG 69 HA ARG 69 -8.438 -16.716 1.553 542 1HB ARG 69 1HB ARG 69 -9.132 -18.767 3.003 543 2HB ARG 69 2HB ARG 69 -10.573 -18.812 1.990 544 1HG ARG 69 1HG ARG 69 -8.989 -18.809 -0.046 545 2HG ARG 69 2HG ARG 69 -7.663 -19.064 1.078 546 1HD ARG 69 1HD ARG 69 -10.079 -20.919 0.804 547 2HD ARG 69 2HD ARG 69 -8.588 -21.101 -0.106 548 HE ARG 69 HE ARG 69 -7.415 -21.777 1.734 549 1HH1 ARG 69 2HH2 ARG 69 -10.819 -21.215 2.662 550 2HH1 ARG 69 1HH2 ARG 69 -10.615 -21.776 4.275 551 1HH2 ARG 69 2HH1 ARG 69 -7.282 -22.872 3.736 552 2HH2 ARG 69 1HH1 ARG 69 -8.543 -22.699 4.931 553 H GLY 70 H GLY 70 -11.817 -16.166 2.142 554 1HA GLY 70 1HA GLY 70 -12.910 -16.255 -0.463 555 2HA GLY 70 2HA GLY 70 -13.458 -15.159 0.813 556 H ALA 71 H ALA 71 -11.355 -13.444 1.217 557 HA ALA 71 HA ALA 71 -11.354 -11.754 -1.115 558 1HB ALA 71 1HB ALA 71 -9.751 -10.395 0.214 559 2HB ALA 71 2HB ALA 71 -11.101 -10.906 1.247 560 3HB ALA 71 3HB ALA 71 -9.537 -11.723 1.365 561 H GLN 72 H GLN 72 -9.010 -14.051 0.289 562 HA GLN 72 HA GLN 72 -6.812 -13.440 -1.312 563 1HB GLN 72 1HB GLN 72 -6.912 -15.105 0.647 564 2HB GLN 72 2HB GLN 72 -7.560 -16.282 -0.496 565 1HG GLN 72 1HG GLN 72 -5.541 -16.111 -1.896 566 2HG GLN 72 2HG GLN 72 -4.879 -14.889 -0.819 567 1HE2 GLN 72 1HE2 GLN 72 -5.335 -18.295 -1.368 568 2HE2 GLN 72 2HE2 GLN 72 -4.356 -18.814 -0.004 569 H GLN 73 H GLN 73 -9.674 -15.424 -2.182 570 HA GLN 73 HA GLN 73 -8.385 -16.584 -4.419 571 1HB GLN 73 1HB GLN 73 -10.495 -17.374 -3.218 572 2HB GLN 73 2HB GLN 73 -11.392 -16.167 -4.145 573 1HG GLN 73 1HG GLN 73 -11.480 -18.381 -5.203 574 2HG GLN 73 2HG GLN 73 -10.652 -17.235 -6.252 575 1HE2 GLN 73 1HE2 GLN 73 -9.056 -18.405 -7.378 576 2HE2 GLN 73 2HE2 GLN 73 -7.970 -19.529 -6.616 577 H LYS 74 H LYS 74 -10.465 -13.698 -4.217 578 HA LYS 74 HA LYS 74 -10.264 -13.235 -7.104 579 1HB LYS 74 1HB LYS 74 -12.025 -12.218 -5.551 580 2HB LYS 74 2HB LYS 74 -10.819 -11.025 -5.088 581 1HG LYS 74 1HG LYS 74 -11.657 -11.564 -7.984 582 2HG LYS 74 2HG LYS 74 -12.526 -10.463 -6.943 583 1HD LYS 74 1HD LYS 74 -11.189 -8.775 -7.501 584 2HD LYS 74 2HD LYS 74 -9.821 -9.620 -6.789 585 1HE LYS 74 1HE LYS 74 -9.165 -9.142 -9.023 586 2HE LYS 74 2HE LYS 74 -9.537 -10.863 -8.985 587 1HZ LYS 74 1HZ LYS 74 -11.795 -10.166 -9.903 588 2HZ LYS 74 2HZ LYS 74 -11.102 -8.706 -10.241 589 3HZ LYS 74 3HZ LYS 74 -10.468 -10.075 -10.872 590 H LEU 75 H LEU 75 -8.320 -12.260 -4.285 591 HA LEU 75 HA LEU 75 -6.546 -10.536 -5.734 592 1HB LEU 75 1HB LEU 75 -6.841 -11.315 -3.061 593 2HB LEU 75 2HB LEU 75 -5.455 -12.165 -3.485 594 HG LEU 75 HG LEU 75 -5.871 -9.165 -3.827 595 1HD1 LEU 75 1HD1 LEU 75 -4.341 -10.694 -1.684 596 2HD1 LEU 75 2HD1 LEU 75 -4.410 -8.924 -1.847 597 3HD1 LEU 75 3HD1 LEU 75 -5.882 -9.835 -1.484 598 1HD2 LEU 75 1HD2 LEU 75 -3.198 -10.592 -3.974 599 2HD2 LEU 75 2HD2 LEU 75 -4.111 -10.026 -5.380 600 3HD2 LEU 75 3HD2 LEU 75 -3.527 -8.867 -4.183 601 H ALA 76 H ALA 76 -6.625 -14.068 -5.202 602 HA ALA 76 HA ALA 76 -4.087 -14.680 -6.267 603 1HB ALA 76 1HB ALA 76 -5.284 -16.219 -4.772 604 2HB ALA 76 2HB ALA 76 -6.576 -16.429 -5.977 605 3HB ALA 76 3HB ALA 76 -4.947 -17.003 -6.322 606 H GLU 77 H GLU 77 -7.363 -14.889 -7.801 607 HA GLU 77 HA GLU 77 -6.379 -15.689 -10.350 608 1HB GLU 77 1HB GLU 77 -8.844 -15.482 -9.524 609 2HB GLU 77 2HB GLU 77 -8.702 -13.754 -9.868 610 1HG GLU 77 1HG GLU 77 -7.900 -14.569 -12.260 611 2HG GLU 77 2HG GLU 77 -8.622 -16.104 -11.772 612 H ALA 78 H ALA 78 -6.545 -12.492 -8.804 613 HA ALA 78 HA ALA 78 -5.925 -11.029 -11.200 614 1HB ALA 78 1HB ALA 78 -5.620 -10.098 -8.315 615 2HB ALA 78 2HB ALA 78 -5.798 -9.095 -9.774 616 3HB ALA 78 3HB ALA 78 -7.145 -10.085 -9.226 617 H LEU 79 H LEU 79 -3.927 -12.196 -8.412 618 HA LEU 79 HA LEU 79 -1.477 -11.106 -9.373 619 1HB LEU 79 1HB LEU 79 -2.406 -12.658 -7.118 620 2HB LEU 79 2HB LEU 79 -1.039 -13.516 -7.803 621 HG LEU 79 HG LEU 79 -1.001 -10.548 -7.220 622 1HD1 LEU 79 1HD1 LEU 79 -0.153 -12.824 -5.429 623 2HD1 LEU 79 2HD1 LEU 79 0.252 -11.105 -5.160 624 3HD1 LEU 79 3HD1 LEU 79 -1.438 -11.619 -5.161 625 1HD2 LEU 79 1HD2 LEU 79 0.768 -11.416 -8.808 626 2HD2 LEU 79 2HD2 LEU 79 1.475 -10.843 -7.290 627 3HD2 LEU 79 3HD2 LEU 79 1.257 -12.583 -7.583 628 H SER 80 H SER 80 -3.102 -14.189 -9.812 629 HA SER 80 HA SER 80 -1.009 -15.635 -11.148 630 1HB SER 80 1HB SER 80 -4.041 -15.829 -11.327 631 2HB SER 80 2HB SER 80 -2.923 -17.065 -11.895 632 HG SER 80 HG SER 80 -3.515 -16.172 -9.306 633 H MET 81 H MET 81 -3.774 -13.639 -12.365 634 HA MET 81 HA MET 81 -2.993 -13.917 -15.109 635 1HB MET 81 1HB MET 81 -5.317 -13.455 -14.217 636 2HB MET 81 2HB MET 81 -4.789 -11.812 -13.837 637 1HG MET 81 1HG MET 81 -5.960 -11.780 -15.897 638 2HG MET 81 2HG MET 81 -4.270 -11.477 -16.275 639 1HE MET 81 1HE MET 81 -2.630 -13.624 -17.202 640 2HE MET 81 2HE MET 81 -3.327 -14.199 -18.722 641 3HE MET 81 3HE MET 81 -3.285 -12.456 -18.366 642 H LEU 82 H LEU 82 -2.245 -11.594 -12.545 643 HA LEU 82 HA LEU 82 -1.115 -9.499 -14.113 644 1HB LEU 82 1HB LEU 82 -1.600 -9.115 -11.820 645 2HB LEU 82 2HB LEU 82 -0.587 -10.459 -11.303 646 HG LEU 82 HG LEU 82 1.429 -9.184 -12.232 647 1HD1 LEU 82 1HD1 LEU 82 0.244 -7.573 -13.670 648 2HD1 LEU 82 2HD1 LEU 82 -0.610 -6.912 -12.258 649 3HD1 LEU 82 3HD1 LEU 82 1.147 -6.724 -12.410 650 1HD2 LEU 82 1HD2 LEU 82 1.746 -8.005 -10.249 651 2HD2 LEU 82 2HD2 LEU 82 0.005 -7.769 -9.977 652 3HD2 LEU 82 3HD2 LEU 82 0.749 -9.375 -9.806 653 H LYS 83 H LYS 83 0.457 -12.329 -12.464 654 HA LYS 83 HA LYS 83 2.966 -11.692 -13.742 655 1HB LYS 83 1HB LYS 83 2.443 -13.242 -11.602 656 2HB LYS 83 2HB LYS 83 2.402 -14.509 -12.827 657 1HG LYS 83 1HG LYS 83 4.656 -14.448 -12.065 658 2HG LYS 83 2HG LYS 83 4.683 -13.632 -13.632 659 1HD LYS 83 1HD LYS 83 4.444 -11.424 -12.247 660 2HD LYS 83 2HD LYS 83 4.838 -12.394 -10.842 661 1HE LYS 83 1HE LYS 83 6.589 -12.303 -13.351 662 2HE LYS 83 2HE LYS 83 6.729 -11.117 -12.048 663 1HZ LYS 83 1HZ LYS 83 8.307 -12.744 -11.685 664 2HZ LYS 83 2HZ LYS 83 7.182 -12.913 -10.520 665 3HZ LYS 83 3HZ LYS 83 7.228 -13.995 -11.782 666 H GLY 84 H GLY 84 0.275 -13.837 -14.501 667 1HA GLY 84 1HA GLY 84 -0.493 -14.096 -16.739 668 2HA GLY 84 2HA GLY 84 1.176 -14.098 -17.319 669 H SER 85 H SER 85 0.818 -15.903 -14.388 670 HA SER 85 HA SER 85 0.673 -18.456 -15.870 671 1HB SER 85 1HB SER 85 3.090 -17.490 -15.601 672 2HB SER 85 2HB SER 85 2.876 -17.880 -13.882 673 HG SER 85 HG SER 85 2.922 -19.559 -16.153 674 H THR 86 H THR 86 1.345 -20.072 -13.731 675 HA THR 86 HA THR 86 -0.916 -19.640 -11.857 676 HB THR 86 HB THR 86 0.838 -22.072 -12.355 677 HG1 THR 86 1HG THR 86 -1.435 -21.027 -13.591 678 1HG2 THR 86 1HG2 THR 86 -0.338 -22.051 -10.140 679 2HG2 THR 86 2HG2 THR 86 -1.876 -21.850 -11.004 680 3HG2 THR 86 3HG2 THR 86 -0.919 -23.331 -11.218 681 H VAL 87 H VAL 87 -0.534 -19.090 -9.782 682 HA VAL 87 HA VAL 87 2.246 -18.795 -8.732 683 HB VAL 87 HB VAL 87 -0.081 -16.814 -8.819 684 1HG1 VAL 87 1HG1 VAL 87 2.650 -16.526 -7.530 685 2HG1 VAL 87 2HG1 VAL 87 1.531 -15.173 -7.815 686 3HG1 VAL 87 3HG1 VAL 87 1.063 -16.472 -6.727 687 1HG2 VAL 87 1HG2 VAL 87 1.324 -15.328 -10.152 688 2HG2 VAL 87 2HG2 VAL 87 2.589 -16.561 -10.232 689 3HG2 VAL 87 3HG2 VAL 87 1.017 -16.839 -11.001 690 H GLU 88 H GLU 88 2.261 -18.860 -6.364 691 HA GLU 88 HA GLU 88 -0.201 -20.044 -5.126 692 1HB GLU 88 1HB GLU 88 2.757 -20.299 -4.521 693 2HB GLU 88 2HB GLU 88 1.562 -20.430 -3.233 694 1HG GLU 88 1HG GLU 88 0.460 -22.222 -4.836 695 2HG GLU 88 2HG GLU 88 2.107 -22.308 -5.497 696 H LEU 89 H LEU 89 -1.220 -17.905 -4.993 697 HA LEU 89 HA LEU 89 0.196 -15.824 -3.520 698 1HB LEU 89 1HB LEU 89 -1.351 -14.954 -5.009 699 2HB LEU 89 2HB LEU 89 -2.625 -16.088 -4.515 700 HG LEU 89 HG LEU 89 -2.901 -14.971 -2.374 701 1HD1 LEU 89 1HD1 LEU 89 -1.899 -13.049 -1.615 702 2HD1 LEU 89 2HD1 LEU 89 -0.498 -13.982 -2.137 703 3HD1 LEU 89 3HD1 LEU 89 -1.099 -12.673 -3.152 704 1HD2 LEU 89 1HD2 LEU 89 -4.265 -14.081 -3.984 705 2HD2 LEU 89 2HD2 LEU 89 -3.481 -12.645 -3.302 706 3HD2 LEU 89 3HD2 LEU 89 -2.949 -13.265 -4.869 707 H THR 90 H THR 90 0.367 -15.775 -1.369 708 HA THR 90 HA THR 90 -1.632 -17.206 0.324 709 HB THR 90 HB THR 90 1.295 -16.798 0.987 710 HG1 THR 90 1HG THR 90 1.288 -18.182 -0.751 711 1HG2 THR 90 1HG2 THR 90 -0.052 -17.231 2.953 712 2HG2 THR 90 2HG2 THR 90 -0.779 -18.662 2.194 713 3HG2 THR 90 3HG2 THR 90 0.948 -18.638 2.604 714 H ILE 91 H ILE 91 -1.963 -16.024 2.317 715 HA ILE 91 HA ILE 91 -0.926 -13.243 2.379 716 HB ILE 91 HB ILE 91 -3.712 -14.080 3.185 717 1HG1 ILE 91 1HG1 ILE 91 -3.068 -12.165 0.907 718 2HG1 ILE 91 2HG1 ILE 91 -3.352 -13.888 0.643 719 1HG2 ILE 91 1HG2 ILE 91 -4.042 -11.644 3.635 720 2HG2 ILE 91 2HG2 ILE 91 -2.670 -12.243 4.562 721 3HG2 ILE 91 3HG2 ILE 91 -2.390 -11.316 3.075 722 1HD1 ILE 91 1HD1 ILE 91 -5.563 -13.725 1.706 723 2HD1 ILE 91 2HD1 ILE 91 -5.349 -11.986 1.920 724 3HD1 ILE 91 3HD1 ILE 91 -5.411 -12.661 0.284 725 H VAL 92 H VAL 92 0.296 -13.132 4.211 726 HA VAL 92 HA VAL 92 -0.168 -15.180 6.323 727 HB VAL 92 HB VAL 92 2.116 -15.032 6.945 728 1HG1 VAL 92 1HG1 VAL 92 2.024 -15.468 3.917 729 2HG1 VAL 92 2HG1 VAL 92 3.146 -16.196 5.084 730 3HG1 VAL 92 3HG1 VAL 92 1.431 -16.634 5.117 731 1HG2 VAL 92 1HG2 VAL 92 3.850 -13.900 5.587 732 2HG2 VAL 92 2HG2 VAL 92 2.586 -13.130 4.609 733 3HG2 VAL 92 3HG2 VAL 92 2.750 -12.755 6.352 734 H GLU 93 H GLU 93 -0.180 -14.363 8.474 735 HA GLU 93 HA GLU 93 -1.007 -11.499 8.593 736 1HB GLU 93 1HB GLU 93 -2.507 -13.346 9.543 737 2HB GLU 93 2HB GLU 93 -1.236 -13.666 10.737 738 1HG GLU 93 1HG GLU 93 -1.382 -11.094 11.239 739 2HG GLU 93 2HG GLU 93 -2.881 -11.152 10.321 740 H ASP 94 H ASP 94 0.568 -10.032 9.383 741 HA ASP 94 HA ASP 94 2.398 -11.089 11.444 742 1HB ASP 94 1HB ASP 94 3.414 -11.178 9.019 743 2HB ASP 94 2HB ASP 94 3.577 -9.429 9.219 744 H ASP 95 H ASP 95 2.887 -9.572 13.013 745 HA ASP 95 HA ASP 95 1.459 -6.965 12.760 746 1HB ASP 95 1HB ASP 95 0.961 -7.078 14.982 747 2HB ASP 95 2HB ASP 95 0.986 -8.804 14.612 748 H ASN 96 H ASN 96 4.660 -8.144 12.734 749 HA ASN 96 HA ASN 96 5.925 -5.926 14.151 750 1HB ASN 96 1HB ASN 96 7.088 -8.081 13.811 751 2HB ASN 96 2HB ASN 96 6.930 -7.898 12.059 752 1HD2 ASN 96 1HD2 ASN 96 8.537 -6.447 14.972 753 2HD2 ASN 96 2HD2 ASN 96 9.870 -5.851 14.045 754 HA PRO 97 HA PRO 97 5.338 -3.254 10.488 755 1HB PRO 97 1HB PRO 97 6.690 -1.038 11.218 756 2HB PRO 97 2HB PRO 97 5.189 -1.542 12.044 757 1HG PRO 97 1HG PRO 97 8.039 -2.079 12.942 758 2HG PRO 97 2HG PRO 97 6.697 -1.373 13.896 759 1HD PRO 97 1HD PRO 97 7.322 -4.035 13.985 760 2HD PRO 97 2HD PRO 97 5.634 -3.458 14.103 761 H ALA 98 H ALA 98 6.704 -5.192 9.721 762 HA ALA 98 HA ALA 98 9.504 -5.029 9.497 763 1HB ALA 98 1HB ALA 98 9.358 -6.948 8.043 764 2HB ALA 98 2HB ALA 98 8.205 -7.115 9.373 765 3HB ALA 98 3HB ALA 98 7.631 -6.643 7.758 766 H VAL 99 H VAL 99 7.166 -4.572 7.121 767 HA VAL 99 HA VAL 99 8.900 -2.807 5.446 768 HB VAL 99 HB VAL 99 7.224 -5.102 4.450 769 1HG1 VAL 99 1HG1 VAL 99 9.010 -3.264 2.830 770 2HG1 VAL 99 2HG1 VAL 99 8.300 -4.776 2.229 771 3HG1 VAL 99 3HG1 VAL 99 7.241 -3.463 2.689 772 1HG2 VAL 99 1HG2 VAL 99 10.236 -4.911 4.583 773 2HG2 VAL 99 2HG2 VAL 99 9.194 -6.048 5.473 774 3HG2 VAL 99 3HG2 VAL 99 9.345 -6.184 3.731 775 H ARG 100 H ARG 100 7.724 -1.480 3.946 776 HA ARG 100 HA ARG 100 5.268 -0.395 5.074 777 1HB ARG 100 1HB ARG 100 6.883 0.268 2.554 778 2HB ARG 100 2HB ARG 100 5.421 1.102 3.051 779 1HG ARG 100 1HG ARG 100 6.847 2.554 3.889 780 2HG ARG 100 2HG ARG 100 6.751 1.519 5.303 781 1HD ARG 100 1HD ARG 100 8.894 1.235 3.130 782 2HD ARG 100 2HD ARG 100 9.058 2.379 4.455 783 HE ARG 100 HE ARG 100 9.790 -0.310 4.543 784 1HH1 ARG 100 2HH2 ARG 100 8.247 2.160 6.623 785 2HH1 ARG 100 1HH2 ARG 100 8.539 1.247 8.061 786 1HH2 ARG 100 2HH1 ARG 100 10.672 -1.088 6.421 787 2HH2 ARG 100 1HH1 ARG 100 10.360 -0.302 7.954 788 H THR 101 H THR 101 3.207 -0.932 4.416 789 HA THR 101 HA THR 101 2.799 -2.746 2.134 790 HB THR 101 HB THR 101 0.490 -2.703 2.847 791 HG1 THR 101 1HG THR 101 -0.055 -1.157 4.612 792 1HG2 THR 101 1HG2 THR 101 2.113 -2.551 5.430 793 2HG2 THR 101 2HG2 THR 101 0.533 -3.298 5.210 794 3HG2 THR 101 3HG2 THR 101 1.950 -3.983 4.398 795 HA PRO 102 HA PRO 102 2.306 0.822 -0.546 796 1HB PRO 102 1HB PRO 102 0.036 0.591 -2.024 797 2HB PRO 102 2HB PRO 102 1.457 -0.491 -2.222 798 1HG PRO 102 1HG PRO 102 -0.995 -0.974 -0.596 799 2HG PRO 102 2HG PRO 102 -0.277 -2.079 -1.819 800 1HD PRO 102 1HD PRO 102 0.203 -2.379 0.833 801 2HD PRO 102 2HD PRO 102 1.526 -2.620 -0.330 802 H LEU 103 H LEU 103 -0.218 0.171 1.827 803 HA LEU 103 HA LEU 103 -1.326 2.876 1.762 804 1HB LEU 103 1HB LEU 103 -2.674 0.925 2.294 805 2HB LEU 103 2HB LEU 103 -1.692 0.556 3.703 806 HG LEU 103 HG LEU 103 -2.930 3.310 3.533 807 1HD1 LEU 103 1HD1 LEU 103 -4.777 1.885 2.816 808 2HD1 LEU 103 2HD1 LEU 103 -4.498 0.783 4.184 809 3HD1 LEU 103 3HD1 LEU 103 -5.061 2.444 4.471 810 1HD2 LEU 103 1HD2 LEU 103 -3.230 2.934 5.977 811 2HD2 LEU 103 2HD2 LEU 103 -2.571 1.302 5.815 812 3HD2 LEU 103 3HD2 LEU 103 -1.545 2.718 5.510 813 H GLU 104 H GLU 104 0.932 0.975 3.887 814 HA GLU 104 HA GLU 104 1.506 3.167 5.668 815 1HB GLU 104 1HB GLU 104 3.392 0.951 4.770 816 2HB GLU 104 2HB GLU 104 3.635 2.005 6.141 817 1HG GLU 104 1HG GLU 104 1.602 -0.218 5.901 818 2HG GLU 104 2HG GLU 104 3.001 -0.157 6.927 819 H TRP 105 H TRP 105 2.922 2.176 2.520 820 HA TRP 105 HA TRP 105 4.936 4.164 2.347 821 1HB TRP 105 1HB TRP 105 3.326 2.540 0.388 822 2HB TRP 105 2HB TRP 105 4.195 3.920 -0.211 823 HD1 TRP 105 HD TRP 105 4.679 0.413 0.011 824 HE1 TRP 105 1HE TRP 105 7.044 -0.082 -0.733 825 HE3 TRP 105 3HE TRP 105 6.791 4.986 0.868 826 HZ2 TRP 105 2HZ TRP 105 9.532 1.294 -1.010 827 HZ3 TRP 105 3HZ TRP 105 9.139 5.425 0.161 828 HH2 TRP 105 HH TRP 105 10.512 3.580 -0.807 829 H ARG 106 H ARG 106 1.431 4.336 1.490 830 HA ARG 106 HA ARG 106 1.578 6.941 0.309 831 1HB ARG 106 1HB ARG 106 -0.405 5.300 0.274 832 2HB ARG 106 2HB ARG 106 -0.749 5.807 1.907 833 1HG ARG 106 1HG ARG 106 -2.030 7.405 1.093 834 2HG ARG 106 2HG ARG 106 -0.604 8.274 0.600 835 1HD ARG 106 1HD ARG 106 -0.914 7.828 -1.632 836 2HD ARG 106 2HD ARG 106 -1.537 6.210 -1.354 837 HE ARG 106 HE ARG 106 -3.075 8.570 -1.778 838 1HH1 ARG 106 2HH2 ARG 106 -3.039 5.468 -0.107 839 2HH1 ARG 106 1HH2 ARG 106 -4.726 5.407 0.250 840 1HH2 ARG 106 2HH1 ARG 106 -5.494 8.496 -1.333 841 2HH2 ARG 106 1HH1 ARG 106 -6.094 7.130 -0.499 842 H GLN 107 H GLN 107 1.195 5.870 3.706 843 HA GLN 107 HA GLN 107 0.952 8.552 4.761 844 1HB GLN 107 1HB GLN 107 0.309 6.518 6.007 845 2HB GLN 107 2HB GLN 107 1.989 6.025 6.130 846 1HG GLN 107 1HG GLN 107 0.885 8.634 7.266 847 2HG GLN 107 2HG GLN 107 1.010 7.132 8.175 848 1HE2 GLN 107 1HE2 GLN 107 2.483 9.999 8.133 849 2HE2 GLN 107 2HE2 GLN 107 4.132 9.519 8.406 850 H ALA 108 H ALA 108 3.794 6.350 4.371 851 HA ALA 108 HA ALA 108 5.622 8.099 5.613 852 1HB ALA 108 1HB ALA 108 6.169 5.964 3.498 853 2HB ALA 108 2HB ALA 108 7.324 6.643 4.668 854 3HB ALA 108 3HB ALA 108 5.952 5.666 5.240 855 H ILE 109 H ILE 109 4.714 7.767 2.192 856 HA ILE 109 HA ILE 109 6.684 9.749 1.339 857 HB ILE 109 HB ILE 109 4.496 8.255 -0.111 858 1HG1 ILE 109 1HG1 ILE 109 7.551 8.336 -0.402 859 2HG1 ILE 109 2HG1 ILE 109 6.694 7.171 0.597 860 1HG2 ILE 109 1HG2 ILE 109 6.374 10.335 -1.329 861 2HG2 ILE 109 2HG2 ILE 109 5.259 9.263 -2.234 862 3HG2 ILE 109 3HG2 ILE 109 4.635 10.488 -1.165 863 1HD1 ILE 109 1HD1 ILE 109 7.251 6.140 -1.516 864 2HD1 ILE 109 2HD1 ILE 109 5.495 6.323 -1.392 865 3HD1 ILE 109 3HD1 ILE 109 6.457 7.419 -2.423 866 H TYR 110 H TYR 110 3.216 9.833 2.247 867 HA TYR 110 HA TYR 110 2.777 12.554 1.436 868 1HB TYR 110 1HB TYR 110 0.939 11.065 2.085 869 2HB TYR 110 2HB TYR 110 1.605 10.887 3.701 870 HD1 TYR 110 HD1 TYR 110 1.172 12.530 5.429 871 HD2 TYR 110 HD2 TYR 110 0.206 13.343 1.312 872 HE1 TYR 110 HE1 TYR 110 -0.160 14.487 6.133 873 HE2 TYR 110 HE2 TYR 110 -1.132 15.303 1.976 874 HH TYR 110 HH TYR 110 -1.551 16.764 3.780 875 H GLU 111 H GLU 111 4.072 11.045 4.358 876 HA GLU 111 HA GLU 111 4.605 13.510 5.730 877 1HB GLU 111 1HB GLU 111 4.265 11.314 6.826 878 2HB GLU 111 2HB GLU 111 5.785 10.715 6.131 879 1HG GLU 111 1HG GLU 111 7.026 12.473 7.250 880 2HG GLU 111 2HG GLU 111 5.551 13.231 7.821 881 H GLU 112 H GLU 112 6.600 11.455 3.423 882 HA GLU 112 HA GLU 112 8.963 12.714 3.933 883 1HB GLU 112 1HB GLU 112 9.794 11.632 2.231 884 2HB GLU 112 2HB GLU 112 8.339 10.735 2.344 885 1HG GLU 112 1HG GLU 112 8.113 11.017 0.143 886 2HG GLU 112 2HG GLU 112 7.692 12.695 0.420 887 H LYS 113 H LYS 113 6.266 14.011 2.033 888 HA LYS 113 HA LYS 113 7.761 16.234 0.942 889 1HB LYS 113 1HB LYS 113 5.455 15.337 0.190 890 2HB LYS 113 2HB LYS 113 4.790 16.167 1.600 891 1HG LYS 113 1HG LYS 113 4.457 17.629 -0.235 892 2HG LYS 113 2HG LYS 113 5.751 18.334 0.694 893 1HD LYS 113 1HD LYS 113 7.072 18.351 -1.115 894 2HD LYS 113 2HD LYS 113 7.016 16.595 -1.220 895 1HE LYS 113 1HE LYS 113 5.046 18.539 -2.490 896 2HE LYS 113 2HE LYS 113 6.340 17.672 -3.323 897 1HZ LYS 113 1HZ LYS 113 5.207 15.585 -2.770 898 2HZ LYS 113 2HZ LYS 113 3.993 16.418 -2.017 899 3HZ LYS 113 3HZ LYS 113 4.205 16.597 -3.604 900 H LEU 114 H LEU 114 6.398 15.585 4.043 901 HA LEU 114 HA LEU 114 6.209 18.401 4.938 902 1HB LEU 114 1HB LEU 114 5.542 15.776 6.358 903 2HB LEU 114 2HB LEU 114 5.250 17.367 7.000 904 HG LEU 114 HG LEU 114 3.920 16.197 4.522 905 1HD1 LEU 114 1HD1 LEU 114 3.176 15.142 6.618 906 2HD1 LEU 114 2HD1 LEU 114 2.831 16.736 7.313 907 3HD1 LEU 114 3HD1 LEU 114 1.897 16.142 5.918 908 1HD2 LEU 114 1HD2 LEU 114 2.423 18.151 4.639 909 2HD2 LEU 114 2HD2 LEU 114 3.425 18.850 5.934 910 3HD2 LEU 114 3HD2 LEU 114 4.078 18.630 4.291 911 H ALA 115 H ALA 115 8.059 15.431 5.305 912 HA ALA 115 HA ALA 115 9.655 16.334 7.545 913 1HB ALA 115 1HB ALA 115 9.977 13.925 5.701 914 2HB ALA 115 2HB ALA 115 10.773 14.184 7.268 915 3HB ALA 115 3HB ALA 115 9.020 13.954 7.201 916 H GLN 116 H GLN 116 10.127 15.936 3.988 917 HA GLN 116 HA GLN 116 12.870 16.627 4.043 918 1HB GLN 116 1HB GLN 116 12.743 16.998 1.669 919 2HB GLN 116 2HB GLN 116 11.842 15.565 2.128 920 1HG GLN 116 1HG GLN 116 10.421 16.500 0.582 921 2HG GLN 116 2HG GLN 116 9.744 17.077 2.087 922 1HE2 GLN 116 1HE2 GLN 116 8.839 18.927 1.637 923 2HE2 GLN 116 2HE2 GLN 116 9.635 20.334 0.924 924 H ALA 117 H ALA 117 10.021 18.638 4.125 925 HA ALA 117 HA ALA 117 11.260 21.137 3.538 926 1HB ALA 117 1HB ALA 117 8.859 20.608 5.344 927 2HB ALA 117 2HB ALA 117 9.250 22.133 4.524 928 3HB ALA 117 3HB ALA 117 8.788 20.708 3.575 929 H ARG 118 H ARG 118 10.881 19.334 6.508 930 HA ARG 118 HA ARG 118 11.968 21.359 8.296 931 1HB ARG 118 1HB ARG 118 10.284 19.329 8.688 932 2HB ARG 118 2HB ARG 118 11.733 18.346 8.776 933 1HG ARG 118 1HG ARG 118 10.960 20.638 10.623 934 2HG ARG 118 2HG ARG 118 10.816 18.917 10.942 935 1HD ARG 118 1HD ARG 118 12.745 19.268 12.062 936 2HD ARG 118 2HD ARG 118 13.441 18.896 10.485 937 HE ARG 118 HE ARG 118 14.123 21.094 10.268 938 1HH1 ARG 118 2HH2 ARG 118 11.811 20.902 13.043 939 2HH1 ARG 118 1HH2 ARG 118 12.388 22.403 13.696 940 1HH2 ARG 118 2HH1 ARG 118 14.687 23.162 11.246 941 2HH2 ARG 118 1HH1 ARG 118 13.429 23.894 12.234 942 H GLU 119 H GLU 119 13.075 18.434 6.603 943 HA GLU 119 HA GLU 119 15.705 18.335 7.601 944 1HB GLU 119 1HB GLU 119 14.420 16.564 6.351 945 2HB GLU 119 2HB GLU 119 14.748 17.448 4.859 946 1HG GLU 119 1HG GLU 119 17.136 17.117 5.098 947 2HG GLU 119 2HG GLU 119 16.925 16.442 6.727 948 H SER 120 H SER 120 14.291 20.228 4.865 949 HA SER 120 HA SER 120 16.505 21.161 3.618 950 1HB SER 120 1HB SER 120 14.217 22.984 4.426 951 2HB SER 120 2HB SER 120 15.282 23.130 3.021 952 HG SER 120 HG SER 120 14.375 20.950 2.455 953 H ILE 121 H ILE 121 15.318 22.287 6.817 954 HA ILE 121 HA ILE 121 17.095 24.528 6.973 955 HB ILE 121 HB ILE 121 15.560 22.941 9.066 956 1HG1 ILE 121 1HG1 ILE 121 15.012 25.713 7.900 957 2HG1 ILE 121 2HG1 ILE 121 14.349 24.257 7.176 958 1HG2 ILE 121 1HG2 ILE 121 17.407 24.111 10.219 959 2HG2 ILE 121 2HG2 ILE 121 16.951 25.630 9.425 960 3HG2 ILE 121 3HG2 ILE 121 15.869 24.876 10.601 961 1HD1 ILE 121 1HD1 ILE 121 13.725 25.233 9.972 962 2HD1 ILE 121 2HD1 ILE 121 12.682 25.267 8.548 963 3HD1 ILE 121 3HD1 ILE 121 13.145 23.706 9.242 964 H ILE 122 H ILE 122 17.577 21.080 7.653 965 HA ILE 122 HA ILE 122 20.169 21.559 8.954 966 HB ILE 122 HB ILE 122 18.958 18.908 8.085 967 1HG1 ILE 122 1HG1 ILE 122 18.912 18.864 10.814 968 2HG1 ILE 122 2HG1 ILE 122 18.635 20.579 10.573 969 1HG2 ILE 122 1HG2 ILE 122 21.404 18.834 8.289 970 2HG2 ILE 122 2HG2 ILE 122 21.335 19.661 9.850 971 3HG2 ILE 122 3HG2 ILE 122 20.690 18.017 9.676 972 1HD1 ILE 122 1HD1 ILE 122 16.982 18.286 9.433 973 2HD1 ILE 122 2HD1 ILE 122 16.525 19.341 10.778 974 3HD1 ILE 122 3HD1 ILE 122 16.658 20.011 9.144 975 H ALA 123 H ALA 123 18.815 20.308 5.888 976 HA ALA 123 HA ALA 123 21.196 19.626 4.603 977 1HB ALA 123 1HB ALA 123 18.572 20.518 3.353 978 2HB ALA 123 2HB ALA 123 19.822 19.519 2.602 979 3HB ALA 123 3HB ALA 123 18.905 18.879 3.974 980 H ASP 124 H ASP 124 19.669 22.767 4.922 981 HA ASP 124 HA ASP 124 20.945 24.330 2.976 982 1HB ASP 124 1HB ASP 124 20.056 24.858 5.839 983 2HB ASP 124 2HB ASP 124 20.935 26.084 4.929 984 H ASN 125 H ASN 125 22.098 23.075 6.032 985 HA ASN 125 HA ASN 125 23.901 23.455 7.333 986 1HB ASN 125 1HB ASN 125 24.340 21.602 5.424 987 2HB ASN 125 2HB ASN 125 25.684 22.675 5.056 988 1HD2 ASN 125 1HD2 ASN 125 27.336 21.222 5.843 989 2HD2 ASN 125 2HD2 ASN 125 27.425 20.757 7.521 990 H ASN 126 H ASN 126 23.216 25.735 7.121 991 HA ASN 126 HA ASN 126 25.337 27.514 6.054 992 1HB ASN 126 1HB ASN 126 23.629 29.053 5.519 993 2HB ASN 126 2HB ASN 126 23.144 27.505 4.829 994 1HD2 ASN 126 1HD2 ASN 126 21.563 29.978 5.797 995 2HD2 ASN 126 2HD2 ASN 126 20.322 29.257 6.825 996 H ILE 127 H ILE 127 25.009 26.342 8.941 997 HA ILE 127 HA ILE 127 24.194 28.678 10.474 998 HB ILE 127 HB ILE 127 24.103 26.139 11.132 999 1HG1 ILE 127 1HG1 ILE 127 24.892 28.284 13.146 1000 2HG1 ILE 127 2HG1 ILE 127 23.291 28.085 12.428 1001 1HG2 ILE 127 1HG2 ILE 127 26.683 25.886 10.959 1002 2HG2 ILE 127 2HG2 ILE 127 26.761 26.796 12.456 1003 3HG2 ILE 127 3HG2 ILE 127 25.901 25.239 12.405 1004 1HD1 ILE 127 1HD1 ILE 127 24.689 26.094 14.252 1005 2HD1 ILE 127 2HD1 ILE 127 23.284 27.102 14.627 1006 3HD1 ILE 127 3HD1 ILE 127 23.137 25.804 13.424 1007 H GLN 128 H GLN 128 26.957 27.840 8.765 1008 HA GLN 128 HA GLN 128 28.966 28.659 8.448 1009 1HB GLN 128 1HB GLN 128 27.631 30.849 8.603 1010 2HB GLN 128 2HB GLN 128 28.399 31.086 10.169 1011 1HG GLN 128 1HG GLN 128 30.564 31.266 9.231 1012 2HG GLN 128 2HG GLN 128 30.109 30.440 7.745 1013 1HE2 GLN 128 1HE2 GLN 128 27.815 31.880 6.911 1014 2HE2 GLN 128 2HE2 GLN 128 28.347 33.495 6.498 Start of MODEL 3 1 1H MET 1 H MET 1 -28.210 1.838 -3.260 2 HA MET 1 HA MET 1 -28.840 1.950 -0.968 3 1HB MET 1 1HB MET 1 -26.044 1.039 -1.607 4 2HB MET 1 2HB MET 1 -26.662 0.969 0.048 5 1HG MET 1 1HG MET 1 -27.005 -1.153 -1.020 6 2HG MET 1 2HG MET 1 -28.544 -0.404 -0.619 7 1HE MET 1 1HE MET 1 -27.570 -2.889 -2.717 8 2HE MET 1 2HE MET 1 -29.205 -2.605 -2.085 9 3HE MET 1 3HE MET 1 -28.940 -2.734 -3.838 10 H LYS 2 H LYS 2 -25.460 2.920 -0.262 11 HA LYS 2 HA LYS 2 -26.245 5.660 0.106 12 1HB LYS 2 1HB LYS 2 -25.850 5.912 2.434 13 2HB LYS 2 2HB LYS 2 -26.982 4.592 2.270 14 1HG LYS 2 1HG LYS 2 -25.622 3.683 3.839 15 2HG LYS 2 2HG LYS 2 -24.780 3.069 2.421 16 1HD LYS 2 1HD LYS 2 -23.091 4.895 2.641 17 2HD LYS 2 2HD LYS 2 -24.046 5.621 3.941 18 1HE LYS 2 1HE LYS 2 -23.724 3.532 5.279 19 2HE LYS 2 2HE LYS 2 -22.677 2.893 3.996 20 1HZ LYS 2 1HZ LYS 2 -22.102 5.436 5.404 21 2HZ LYS 2 2HZ LYS 2 -21.559 3.982 5.922 22 3HZ LYS 2 3HZ LYS 2 -21.055 4.524 4.490 23 H ALA 3 H ALA 3 -24.372 6.984 0.637 24 HA ALA 3 HA ALA 3 -21.699 5.903 0.559 25 1HB ALA 3 1HB ALA 3 -21.015 7.277 -1.365 26 2HB ALA 3 2HB ALA 3 -22.263 6.144 -1.883 27 3HB ALA 3 3HB ALA 3 -22.683 7.849 -1.593 28 H LEU 4 H LEU 4 -20.333 8.283 0.578 29 HA LEU 4 HA LEU 4 -21.883 10.410 1.753 30 1HB LEU 4 1HB LEU 4 -21.199 8.676 3.696 31 2HB LEU 4 2HB LEU 4 -19.677 9.544 3.619 32 HG LEU 4 HG LEU 4 -21.166 10.406 5.350 33 1HD1 LEU 4 1HD1 LEU 4 -20.906 12.468 3.141 34 2HD1 LEU 4 2HD1 LEU 4 -21.141 12.781 4.869 35 3HD1 LEU 4 3HD1 LEU 4 -19.653 12.001 4.330 36 1HD2 LEU 4 1HD2 LEU 4 -23.282 11.459 4.945 37 2HD2 LEU 4 2HD2 LEU 4 -23.164 11.215 3.206 38 3HD2 LEU 4 3HD2 LEU 4 -23.320 9.816 4.284 39 H GLU 5 H GLU 5 -18.617 9.084 1.603 40 HA GLU 5 HA GLU 5 -16.654 9.808 0.694 41 1HB GLU 5 1HB GLU 5 -18.450 11.005 -1.420 42 2HB GLU 5 2HB GLU 5 -16.812 10.396 -1.600 43 1HG GLU 5 1HG GLU 5 -19.407 8.907 -1.419 44 2HG GLU 5 2HG GLU 5 -18.076 8.690 -2.558 45 H HIS 6 H HIS 6 -16.981 11.340 2.668 46 HA HIS 6 HA HIS 6 -16.259 14.068 1.704 47 1HB HIS 6 1HB HIS 6 -18.704 13.401 2.894 48 2HB HIS 6 2HB HIS 6 -17.809 14.235 4.162 49 HD1 HIS 6 HD1 HIS 6 -17.479 16.846 3.756 50 HD2 HIS 6 HD2 HIS 6 -18.901 14.636 0.440 51 HE1 HIS 6 HE1 HIS 6 -17.993 18.549 1.889 52 HE2 HIS 6 HE2 HIS 6 -18.829 17.162 -0.158 53 H GLU 7 H GLU 7 -14.789 11.673 3.195 54 HA GLU 7 HA GLU 7 -13.036 13.615 4.606 55 1HB GLU 7 1HB GLU 7 -14.165 11.069 5.758 56 2HB GLU 7 2HB GLU 7 -12.549 11.604 6.201 57 1HG GLU 7 1HG GLU 7 -13.265 13.228 7.555 58 2HG GLU 7 2HG GLU 7 -14.437 13.839 6.402 59 H LYS 8 H LYS 8 -13.381 10.264 3.331 60 HA LYS 8 HA LYS 8 -10.523 10.045 2.696 61 1HB LYS 8 1HB LYS 8 -13.014 8.400 2.068 62 2HB LYS 8 2HB LYS 8 -11.436 8.006 1.399 63 1HG LYS 8 1HG LYS 8 -11.707 8.366 4.395 64 2HG LYS 8 2HG LYS 8 -12.267 6.869 3.642 65 1HD LYS 8 1HD LYS 8 -10.133 6.308 2.802 66 2HD LYS 8 2HD LYS 8 -9.468 7.919 3.068 67 1HE LYS 8 1HE LYS 8 -10.533 6.377 5.443 68 2HE LYS 8 2HE LYS 8 -8.977 5.902 4.744 69 1HZ LYS 8 1HZ LYS 8 -8.813 7.584 6.546 70 2HZ LYS 8 2HZ LYS 8 -8.090 7.977 5.124 71 3HZ LYS 8 3HZ LYS 8 -9.489 8.693 5.522 72 H THR 9 H THR 9 -9.866 11.639 1.196 73 HA THR 9 HA THR 9 -11.492 12.126 -1.210 74 HB THR 9 HB THR 9 -9.584 13.758 -1.646 75 HG1 THR 9 1HG THR 9 -8.126 12.691 -0.215 76 1HG2 THR 9 1HG2 THR 9 -11.190 14.034 0.929 77 2HG2 THR 9 2HG2 THR 9 -10.395 15.367 0.070 78 3HG2 THR 9 3HG2 THR 9 -11.722 14.494 -0.702 79 HA PRO 10 HA PRO 10 -8.794 8.714 -2.702 80 1HB PRO 10 1HB PRO 10 -10.265 7.765 -4.759 81 2HB PRO 10 2HB PRO 10 -10.761 7.507 -3.062 82 1HG PRO 10 1HG PRO 10 -11.686 9.730 -4.940 83 2HG PRO 10 2HG PRO 10 -12.713 8.576 -4.042 84 1HD PRO 10 1HD PRO 10 -12.161 11.017 -3.008 85 2HD PRO 10 2HD PRO 10 -12.169 9.550 -1.968 86 H GLU 11 H GLU 11 -9.859 11.596 -4.260 87 HA GLU 11 HA GLU 11 -8.610 11.390 -6.814 88 1HB GLU 11 1HB GLU 11 -9.408 13.738 -5.025 89 2HB GLU 11 2HB GLU 11 -8.974 13.910 -6.728 90 1HG GLU 11 1HG GLU 11 -11.260 12.076 -5.853 91 2HG GLU 11 2HG GLU 11 -11.492 13.800 -6.001 92 H LEU 12 H LEU 12 -7.710 13.233 -3.903 93 HA LEU 12 HA LEU 12 -5.022 13.848 -4.731 94 1HB LEU 12 1HB LEU 12 -6.195 15.119 -2.916 95 2HB LEU 12 2HB LEU 12 -6.226 13.657 -1.936 96 HG LEU 12 HG LEU 12 -3.531 13.765 -2.386 97 1HD1 LEU 12 1HD1 LEU 12 -2.712 16.008 -2.466 98 2HD1 LEU 12 2HD1 LEU 12 -3.728 15.724 -3.888 99 3HD1 LEU 12 3HD1 LEU 12 -4.367 16.670 -2.526 100 1HD2 LEU 12 1HD2 LEU 12 -3.291 14.873 -0.293 101 2HD2 LEU 12 2HD2 LEU 12 -4.999 15.411 -0.351 102 3HD2 LEU 12 3HD2 LEU 12 -4.599 13.671 -0.254 103 H ALA 13 H ALA 13 -6.530 11.274 -2.694 104 HA ALA 13 HA ALA 13 -4.056 10.192 -1.836 105 1HB ALA 13 1HB ALA 13 -5.347 8.212 -1.243 106 2HB ALA 13 2HB ALA 13 -6.335 9.640 -0.846 107 3HB ALA 13 3HB ALA 13 -6.676 8.688 -2.306 108 H ALA 14 H ALA 14 -5.917 9.734 -4.851 109 HA ALA 14 HA ALA 14 -4.197 7.521 -5.715 110 1HB ALA 14 1HB ALA 14 -6.230 9.199 -7.210 111 2HB ALA 14 2HB ALA 14 -5.373 7.782 -7.862 112 3HB ALA 14 3HB ALA 14 -6.467 7.579 -6.486 113 H LYS 15 H LYS 15 -4.079 11.087 -5.871 114 HA LYS 15 HA LYS 15 -2.117 11.023 -8.062 115 1HB LYS 15 1HB LYS 15 -3.241 13.152 -6.231 116 2HB LYS 15 2HB LYS 15 -1.647 13.419 -6.954 117 1HG LYS 15 1HG LYS 15 -2.516 13.067 -9.191 118 2HG LYS 15 2HG LYS 15 -4.137 12.717 -8.568 119 1HD LYS 15 1HD LYS 15 -4.520 14.928 -7.914 120 2HD LYS 15 2HD LYS 15 -2.807 15.346 -7.836 121 1HE LYS 15 1HE LYS 15 -4.221 14.667 -10.450 122 2HE LYS 15 2HE LYS 15 -4.105 16.308 -9.808 123 1HZ LYS 15 1HZ LYS 15 -2.344 15.946 -11.340 124 2HZ LYS 15 2HZ LYS 15 -1.663 16.042 -9.827 125 3HZ LYS 15 3HZ LYS 15 -1.816 14.608 -10.602 126 H LEU 16 H LEU 16 -2.110 11.250 -4.522 127 HA LEU 16 HA LEU 16 0.724 11.434 -4.211 128 1HB LEU 16 1HB LEU 16 -1.090 11.976 -2.483 129 2HB LEU 16 2HB LEU 16 -1.421 10.273 -2.368 130 HG LEU 16 HG LEU 16 -0.184 10.927 -0.477 131 1HD1 LEU 16 1HD1 LEU 16 1.999 9.505 -1.981 132 2HD1 LEU 16 2HD1 LEU 16 1.600 9.458 -0.273 133 3HD1 LEU 16 3HD1 LEU 16 0.532 8.670 -1.436 134 1HD2 LEU 16 1HD2 LEU 16 2.049 11.977 -0.603 135 2HD2 LEU 16 2HD2 LEU 16 1.962 11.976 -2.363 136 3HD2 LEU 16 3HD2 LEU 16 0.824 12.958 -1.413 137 H ALA 17 H ALA 17 -1.615 8.698 -4.341 138 HA ALA 17 HA ALA 17 -0.035 6.513 -3.823 139 1HB ALA 17 1HB ALA 17 -1.481 5.185 -5.193 140 2HB ALA 17 2HB ALA 17 -2.514 6.462 -4.541 141 3HB ALA 17 3HB ALA 17 -1.930 6.560 -6.197 142 H ALA 18 H ALA 18 -0.117 8.395 -6.879 143 HA ALA 18 HA ALA 18 1.265 6.497 -8.465 144 1HB ALA 18 1HB ALA 18 1.593 8.337 -10.004 145 2HB ALA 18 2HB ALA 18 -0.036 8.478 -9.296 146 3HB ALA 18 3HB ALA 18 1.298 9.520 -8.725 147 H GLU 19 H GLU 19 2.434 8.758 -6.063 148 HA GLU 19 HA GLU 19 5.241 8.587 -6.933 149 1HB GLU 19 1HB GLU 19 3.946 10.056 -4.594 150 2HB GLU 19 2HB GLU 19 5.612 10.236 -5.168 151 1HG GLU 19 1HG GLU 19 4.655 10.962 -7.410 152 2HG GLU 19 2HG GLU 19 3.050 10.975 -6.669 153 H ALA 20 H ALA 20 3.102 7.628 -4.171 154 HA ALA 20 HA ALA 20 5.058 6.139 -2.761 155 1HB ALA 20 1HB ALA 20 3.110 5.153 -1.629 156 2HB ALA 20 2HB ALA 20 2.824 6.885 -1.868 157 3HB ALA 20 3HB ALA 20 2.040 5.699 -2.935 158 H ILE 21 H ILE 21 3.121 5.326 -5.529 159 HA ILE 21 HA ILE 21 3.601 2.495 -5.706 160 HB ILE 21 HB ILE 21 2.591 4.702 -7.500 161 1HG1 ILE 21 1HG1 ILE 21 1.417 2.023 -6.608 162 2HG1 ILE 21 2HG1 ILE 21 1.224 3.489 -5.675 163 1HG2 ILE 21 1HG2 ILE 21 3.863 3.465 -9.070 164 2HG2 ILE 21 2HG2 ILE 21 3.381 1.950 -8.338 165 3HG2 ILE 21 3HG2 ILE 21 2.196 2.907 -9.252 166 1HD1 ILE 21 1HD1 ILE 21 0.114 4.534 -7.729 167 2HD1 ILE 21 2HD1 ILE 21 0.086 2.888 -8.413 168 3HD1 ILE 21 3HD1 ILE 21 -0.773 3.239 -6.907 169 H GLU 22 H GLU 22 5.463 5.400 -6.863 170 HA GLU 22 HA GLU 22 7.243 3.774 -8.453 171 1HB GLU 22 1HB GLU 22 6.919 6.274 -8.687 172 2HB GLU 22 2HB GLU 22 7.683 6.480 -7.119 173 1HG GLU 22 1HG GLU 22 9.373 6.911 -8.713 174 2HG GLU 22 2HG GLU 22 9.766 5.356 -8.000 175 H ARG 23 H ARG 23 7.091 4.860 -5.094 176 HA ARG 23 HA ARG 23 9.610 3.748 -4.236 177 1HB ARG 23 1HB ARG 23 8.030 5.764 -3.330 178 2HB ARG 23 2HB ARG 23 7.324 4.452 -2.400 179 1HG ARG 23 1HG ARG 23 8.879 5.383 -0.966 180 2HG ARG 23 2HG ARG 23 9.748 3.976 -1.565 181 1HD ARG 23 1HD ARG 23 10.019 6.840 -2.617 182 2HD ARG 23 2HD ARG 23 11.067 6.130 -1.405 183 HE ARG 23 HE ARG 23 11.132 5.717 -4.270 184 1HH1 ARG 23 2HH2 ARG 23 12.346 4.445 -1.169 185 2HH1 ARG 23 1HH2 ARG 23 13.314 3.226 -1.908 186 1HH2 ARG 23 2HH1 ARG 23 12.518 4.254 -5.232 187 2HH2 ARG 23 1HH1 ARG 23 13.408 3.081 -4.308 188 H ASP 24 H ASP 24 6.667 2.206 -5.022 189 HA ASP 24 HA ASP 24 7.499 -0.136 -3.416 190 1HB ASP 24 1HB ASP 24 5.775 0.979 -2.080 191 2HB ASP 24 2HB ASP 24 4.668 0.866 -3.423 192 HA PRO 25 HA PRO 25 6.637 -1.423 -7.700 193 1HB PRO 25 1HB PRO 25 7.858 -3.898 -7.568 194 2HB PRO 25 2HB PRO 25 8.717 -2.356 -7.866 195 1HG PRO 25 1HG PRO 25 8.368 -3.851 -5.253 196 2HG PRO 25 2HG PRO 25 9.869 -3.144 -5.934 197 1HD PRO 25 1HD PRO 25 8.406 -1.852 -4.067 198 2HD PRO 25 2HD PRO 25 9.157 -0.935 -5.412 199 H TRP 26 H TRP 26 5.631 -2.920 -4.647 200 HA TRP 26 HA TRP 26 3.778 -4.793 -6.020 201 1HB TRP 26 1HB TRP 26 4.629 -5.524 -3.887 202 2HB TRP 26 2HB TRP 26 4.248 -3.992 -3.123 203 HD1 TRP 26 HD TRP 26 2.331 -4.148 -1.568 204 HE1 TRP 26 1HE TRP 26 0.047 -5.251 -1.459 205 HE3 TRP 26 3HE TRP 26 2.578 -6.846 -5.906 206 HZ2 TRP 26 2HZ TRP 26 -1.428 -7.241 -2.985 207 HZ3 TRP 26 3HZ TRP 26 0.837 -8.542 -6.414 208 HH2 TRP 26 HH TRP 26 -1.198 -8.700 -5.001 209 H ALA 27 H ALA 27 3.618 -1.591 -4.217 210 HA ALA 27 HA ALA 27 0.800 -1.415 -4.464 211 1HB ALA 27 1HB ALA 27 2.195 0.110 -3.088 212 2HB ALA 27 2HB ALA 27 2.780 0.877 -4.579 213 3HB ALA 27 3HB ALA 27 1.065 0.982 -4.147 214 H ALA 28 H ALA 28 3.386 -0.645 -6.809 215 HA ALA 28 HA ALA 28 1.790 0.547 -8.817 216 1HB ALA 28 1HB ALA 28 4.401 0.148 -8.764 217 2HB ALA 28 2HB ALA 28 4.062 -1.458 -9.382 218 3HB ALA 28 3HB ALA 28 3.591 -0.044 -10.334 219 H GLN 29 H GLN 29 2.548 -2.818 -8.142 220 HA GLN 29 HA GLN 29 1.104 -3.967 -10.324 221 1HB GLN 29 1HB GLN 29 2.282 -5.050 -7.740 222 2HB GLN 29 2HB GLN 29 1.472 -6.102 -8.844 223 1HG GLN 29 1HG GLN 29 3.776 -4.285 -9.671 224 2HG GLN 29 2HG GLN 29 4.013 -5.916 -9.050 225 1HE2 GLN 29 1HE2 GLN 29 4.164 -7.485 -10.569 226 2HE2 GLN 29 2HE2 GLN 29 3.521 -7.434 -12.197 227 H VAL 30 H VAL 30 0.118 -3.273 -6.906 228 HA VAL 30 HA VAL 30 -2.444 -4.488 -7.112 229 HB VAL 30 HB VAL 30 -1.678 -1.993 -5.530 230 1HG1 VAL 30 1HG1 VAL 30 -4.029 -3.907 -5.183 231 2HG1 VAL 30 2HG1 VAL 30 -3.595 -2.592 -4.070 232 3HG1 VAL 30 3HG1 VAL 30 -4.143 -2.220 -5.704 233 1HG2 VAL 30 1HG2 VAL 30 -1.654 -4.947 -4.819 234 2HG2 VAL 30 2HG2 VAL 30 -0.280 -3.844 -4.823 235 3HG2 VAL 30 3HG2 VAL 30 -1.530 -3.638 -3.613 236 H SER 31 H SER 31 -1.290 -1.297 -8.243 237 HA SER 31 HA SER 31 -3.906 -0.348 -9.012 238 1HB SER 31 1HB SER 31 -1.044 0.515 -9.321 239 2HB SER 31 2HB SER 31 -2.171 1.166 -10.485 240 HG SER 31 HG SER 31 -3.535 1.676 -8.543 241 H GLN 32 H GLN 32 -1.685 -2.596 -10.481 242 HA GLN 32 HA GLN 32 -3.093 -2.444 -13.077 243 1HB GLN 32 1HB GLN 32 -0.666 -2.612 -13.074 244 2HB GLN 32 2HB GLN 32 -0.717 -4.097 -12.110 245 1HG GLN 32 1HG GLN 32 -1.695 -5.346 -13.894 246 2HG GLN 32 2HG GLN 32 -2.140 -3.882 -14.774 247 1HE2 GLN 32 1HE2 GLN 32 1.019 -5.223 -13.411 248 2HE2 GLN 32 2HE2 GLN 32 1.855 -5.042 -14.918 249 H LEU 33 H LEU 33 -2.977 -4.426 -10.113 250 HA LEU 33 HA LEU 33 -4.476 -6.658 -11.127 251 1HB LEU 33 1HB LEU 33 -4.450 -5.485 -8.292 252 2HB LEU 33 2HB LEU 33 -5.157 -7.014 -8.775 253 HG LEU 33 HG LEU 33 -2.222 -6.360 -8.601 254 1HD1 LEU 33 1HD1 LEU 33 -3.384 -7.067 -6.550 255 2HD1 LEU 33 2HD1 LEU 33 -3.949 -8.535 -7.385 256 3HD1 LEU 33 3HD1 LEU 33 -2.213 -8.274 -7.106 257 1HD2 LEU 33 1HD2 LEU 33 -2.410 -7.510 -10.675 258 2HD2 LEU 33 2HD2 LEU 33 -1.925 -8.723 -9.469 259 3HD2 LEU 33 3HD2 LEU 33 -3.604 -8.640 -10.034 260 H SER 34 H SER 34 -5.336 -3.539 -9.957 261 HA SER 34 HA SER 34 -7.241 -2.327 -9.911 262 1HB SER 34 1HB SER 34 -7.672 -4.007 -12.392 263 2HB SER 34 2HB SER 34 -8.781 -2.701 -11.926 264 HG SER 34 HG SER 34 -6.319 -2.494 -13.032 265 H LEU 35 H LEU 35 -7.821 -2.878 -7.935 266 HA LEU 35 HA LEU 35 -9.813 -5.050 -7.527 267 1HB LEU 35 1HB LEU 35 -7.540 -3.898 -5.932 268 2HB LEU 35 2HB LEU 35 -8.918 -4.512 -5.058 269 HG LEU 35 HG LEU 35 -8.568 -6.700 -5.574 270 1HD1 LEU 35 1HD1 LEU 35 -7.145 -7.607 -7.408 271 2HD1 LEU 35 2HD1 LEU 35 -8.571 -6.757 -7.989 272 3HD1 LEU 35 3HD1 LEU 35 -6.996 -5.950 -8.036 273 1HD2 LEU 35 1HD2 LEU 35 -6.642 -5.785 -4.292 274 2HD2 LEU 35 2HD2 LEU 35 -6.179 -7.185 -5.271 275 3HD2 LEU 35 3HD2 LEU 35 -5.757 -5.548 -5.809 276 HA PRO 36 HA PRO 36 -12.820 -2.077 -6.569 277 1HB PRO 36 1HB PRO 36 -14.604 -3.403 -5.039 278 2HB PRO 36 2HB PRO 36 -14.135 -4.014 -6.647 279 1HG PRO 36 1HG PRO 36 -13.103 -4.968 -3.966 280 2HG PRO 36 2HG PRO 36 -13.643 -5.930 -5.365 281 1HD PRO 36 1HD PRO 36 -11.000 -5.193 -4.804 282 2HD PRO 36 2HD PRO 36 -11.580 -5.682 -6.415 283 H LYS 37 H LYS 37 -13.538 -3.103 -3.318 284 HA LYS 37 HA LYS 37 -11.655 -1.090 -2.199 285 1HB LYS 37 1HB LYS 37 -14.131 -0.447 -2.419 286 2HB LYS 37 2HB LYS 37 -14.452 -1.580 -1.121 287 1HG LYS 37 1HG LYS 37 -13.016 -0.374 0.410 288 2HG LYS 37 2HG LYS 37 -12.346 0.603 -0.903 289 1HD LYS 37 1HD LYS 37 -13.840 2.025 0.270 290 2HD LYS 37 2HD LYS 37 -14.614 1.615 -1.260 291 1HE LYS 37 1HE LYS 37 -15.443 -0.424 0.509 292 2HE LYS 37 2HE LYS 37 -15.413 1.022 1.530 293 1HZ LYS 37 1HZ LYS 37 -16.839 2.091 -0.158 294 2HZ LYS 37 2HZ LYS 37 -16.881 0.717 -1.019 295 3HZ LYS 37 3HZ LYS 37 -17.555 0.758 0.491 296 H LEU 38 H LEU 38 -13.630 -3.963 -1.405 297 HA LEU 38 HA LEU 38 -12.302 -4.404 1.081 298 1HB LEU 38 1HB LEU 38 -14.417 -5.549 0.588 299 2HB LEU 38 2HB LEU 38 -13.672 -6.461 -0.716 300 HG LEU 38 HG LEU 38 -12.240 -7.679 0.856 301 1HD1 LEU 38 1HD1 LEU 38 -13.523 -6.001 3.057 302 2HD1 LEU 38 2HD1 LEU 38 -12.515 -7.444 3.317 303 3HD1 LEU 38 3HD1 LEU 38 -11.805 -6.005 2.588 304 1HD2 LEU 38 1HD2 LEU 38 -13.978 -8.902 2.116 305 2HD2 LEU 38 2HD2 LEU 38 -15.128 -7.588 1.793 306 3HD2 LEU 38 3HD2 LEU 38 -14.472 -8.557 0.452 307 H VAL 39 H VAL 39 -11.827 -6.027 -2.035 308 HA VAL 39 HA VAL 39 -9.513 -7.485 -1.115 309 HB VAL 39 HB VAL 39 -10.174 -6.948 -4.025 310 1HG1 VAL 39 1HG1 VAL 39 -9.193 -9.162 -4.393 311 2HG1 VAL 39 2HG1 VAL 39 -8.041 -8.118 -3.561 312 3HG1 VAL 39 3HG1 VAL 39 -8.917 -9.355 -2.650 313 1HG2 VAL 39 1HG2 VAL 39 -12.289 -7.669 -3.137 314 2HG2 VAL 39 2HG2 VAL 39 -11.561 -9.055 -3.929 315 3HG2 VAL 39 3HG2 VAL 39 -11.516 -8.931 -2.159 316 H GLU 40 H GLU 40 -9.980 -4.265 -2.467 317 HA GLU 40 HA GLU 40 -7.217 -3.765 -3.137 318 1HB GLU 40 1HB GLU 40 -9.088 -2.432 -4.076 319 2HB GLU 40 2HB GLU 40 -9.493 -1.852 -2.470 320 1HG GLU 40 1HG GLU 40 -7.866 -0.289 -2.472 321 2HG GLU 40 2HG GLU 40 -6.652 -1.419 -3.068 322 H GLN 41 H GLN 41 -9.282 -3.123 -0.198 323 HA GLN 41 HA GLN 41 -7.241 -1.979 1.355 324 1HB GLN 41 1HB GLN 41 -9.804 -2.202 1.833 325 2HB GLN 41 2HB GLN 41 -9.442 -3.784 2.494 326 1HG GLN 41 1HG GLN 41 -8.034 -2.803 4.212 327 2HG GLN 41 2HG GLN 41 -8.093 -1.219 3.426 328 1HE2 GLN 41 1HE2 GLN 41 -10.658 -0.595 2.983 329 2HE2 GLN 41 2HE2 GLN 41 -11.585 -0.631 4.464 330 H VAL 42 H VAL 42 -7.967 -5.430 0.740 331 HA VAL 42 HA VAL 42 -6.052 -6.437 2.650 332 HB VAL 42 HB VAL 42 -7.321 -7.641 0.154 333 1HG1 VAL 42 1HG1 VAL 42 -5.627 -9.125 2.207 334 2HG1 VAL 42 2HG1 VAL 42 -6.518 -9.836 0.849 335 3HG1 VAL 42 3HG1 VAL 42 -5.125 -8.794 0.546 336 1HG2 VAL 42 1HG2 VAL 42 -7.668 -8.047 3.143 337 2HG2 VAL 42 2HG2 VAL 42 -8.790 -7.169 2.087 338 3HG2 VAL 42 3HG2 VAL 42 -8.571 -8.913 1.875 339 H ALA 43 H ALA 43 -5.810 -5.994 -0.933 340 HA ALA 43 HA ALA 43 -3.097 -6.749 -1.091 341 1HB ALA 43 1HB ALA 43 -4.679 -4.812 -2.838 342 2HB ALA 43 2HB ALA 43 -3.172 -5.633 -3.287 343 3HB ALA 43 3HB ALA 43 -4.641 -6.584 -3.020 344 H LEU 44 H LEU 44 -4.565 -3.649 -0.282 345 HA LEU 44 HA LEU 44 -2.055 -2.192 -0.354 346 1HB LEU 44 1HB LEU 44 -4.873 -1.486 0.563 347 2HB LEU 44 2HB LEU 44 -3.551 -0.358 0.679 348 HG LEU 44 HG LEU 44 -4.653 -1.557 -1.899 349 1HD1 LEU 44 1HD1 LEU 44 -6.068 0.168 -0.825 350 2HD1 LEU 44 2HD1 LEU 44 -4.684 1.290 -0.802 351 3HD1 LEU 44 3HD1 LEU 44 -5.374 0.747 -2.353 352 1HD2 LEU 44 1HD2 LEU 44 -3.202 -0.088 -3.141 353 2HD2 LEU 44 2HD2 LEU 44 -2.434 0.500 -1.651 354 3HD2 LEU 44 3HD2 LEU 44 -2.241 -1.192 -2.202 355 H ASN 45 H ASN 45 -3.848 -3.975 2.183 356 HA ASN 45 HA ASN 45 -2.115 -2.620 4.194 357 1HB ASN 45 1HB ASN 45 -4.626 -4.276 4.487 358 2HB ASN 45 2HB ASN 45 -3.527 -3.992 5.817 359 1HD2 ASN 45 1HD2 ASN 45 -5.863 -2.431 3.773 360 2HD2 ASN 45 2HD2 ASN 45 -5.926 -0.918 4.719 361 H ALA 46 H ALA 46 -1.298 -4.755 2.075 362 HA ALA 46 HA ALA 46 0.328 -6.242 4.013 363 1HB ALA 46 1HB ALA 46 -1.124 -7.332 1.555 364 2HB ALA 46 2HB ALA 46 0.234 -8.172 2.351 365 3HB ALA 46 3HB ALA 46 -1.285 -7.915 3.208 366 H TRP 47 H TRP 47 2.373 -6.776 3.260 367 HA TRP 47 HA TRP 47 3.242 -5.235 0.853 368 1HB TRP 47 1HB TRP 47 5.463 -5.239 1.744 369 2HB TRP 47 2HB TRP 47 4.384 -4.458 2.873 370 HD1 TRP 47 HD TRP 47 4.031 -5.587 5.245 371 HE1 TRP 47 1HE TRP 47 5.463 -7.196 6.584 372 HE3 TRP 47 3HE TRP 47 6.794 -7.599 1.416 373 HZ2 TRP 47 2HZ TRP 47 7.587 -9.180 6.061 374 HZ3 TRP 47 3HZ TRP 47 8.404 -9.443 1.886 375 HH2 TRP 47 HH TRP 47 8.810 -10.200 4.197 376 H LYS 48 H LYS 48 4.264 -6.397 -0.704 377 HA LYS 48 HA LYS 48 3.606 -9.271 -0.593 378 1HB LYS 48 1HB LYS 48 2.706 -7.855 -2.348 379 2HB LYS 48 2HB LYS 48 4.287 -7.410 -2.883 380 1HG LYS 48 1HG LYS 48 3.693 -10.318 -2.741 381 2HG LYS 48 2HG LYS 48 2.791 -9.413 -3.952 382 1HD LYS 48 1HD LYS 48 5.842 -9.370 -3.781 383 2HD LYS 48 2HD LYS 48 4.893 -10.462 -4.802 384 1HE LYS 48 1HE LYS 48 3.809 -8.489 -5.871 385 2HE LYS 48 2HE LYS 48 4.933 -7.444 -4.973 386 1HZ LYS 48 1HZ LYS 48 5.595 -9.466 -7.006 387 2HZ LYS 48 2HZ LYS 48 5.810 -7.842 -7.138 388 3HZ LYS 48 3HZ LYS 48 6.746 -8.669 -6.104 389 H GLU 49 H GLU 49 4.951 -10.861 -0.645 390 HA GLU 49 HA GLU 49 7.856 -10.443 -1.072 391 1HB GLU 49 1HB GLU 49 7.358 -11.273 1.212 392 2HB GLU 49 2HB GLU 49 6.281 -12.493 0.552 393 1HG GLU 49 1HG GLU 49 8.574 -13.139 -0.824 394 2HG GLU 49 2HG GLU 49 9.275 -12.413 0.608 395 H GLU 50 H GLU 50 8.025 -10.944 -3.241 396 HA GLU 50 HA GLU 50 6.317 -13.116 -4.381 397 1HB GLU 50 1HB GLU 50 6.596 -11.272 -5.832 398 2HB GLU 50 2HB GLU 50 8.322 -11.193 -5.537 399 1HG GLU 50 1HG GLU 50 8.713 -13.164 -6.859 400 2HG GLU 50 2HG GLU 50 6.986 -13.578 -6.845 401 H SER 51 H SER 51 7.044 -15.147 -4.142 402 HA SER 51 HA SER 51 9.652 -15.581 -2.856 403 1HB SER 51 1HB SER 51 7.389 -17.539 -3.266 404 2HB SER 51 2HB SER 51 8.722 -17.630 -2.110 405 HG SER 51 HG SER 51 7.732 -15.949 -0.915 406 H ASP 52 H ASP 52 10.476 -17.852 -3.665 407 HA ASP 52 HA ASP 52 11.550 -17.740 -6.152 408 1HB ASP 52 1HB ASP 52 12.080 -19.354 -4.324 409 2HB ASP 52 2HB ASP 52 10.661 -20.297 -4.760 410 H ASN 53 H ASN 53 8.466 -19.338 -5.397 411 HA ASN 53 HA ASN 53 7.602 -18.841 -8.188 412 1HB ASN 53 1HB ASN 53 8.648 -21.258 -7.744 413 2HB ASN 53 2HB ASN 53 7.047 -21.594 -7.100 414 1HD2 ASN 53 1HD2 ASN 53 8.160 -22.883 -9.319 415 2HD2 ASN 53 2HD2 ASN 53 7.343 -22.400 -10.817 416 H ALA 54 H ALA 54 6.797 -17.786 -5.363 417 HA ALA 54 HA ALA 54 3.929 -18.392 -5.528 418 1HB ALA 54 1HB ALA 54 3.835 -18.784 -3.074 419 2HB ALA 54 2HB ALA 54 4.793 -20.038 -3.887 420 3HB ALA 54 3HB ALA 54 5.602 -18.736 -3.000 421 H VAL 55 H VAL 55 2.869 -16.762 -3.801 422 HA VAL 55 HA VAL 55 4.592 -14.383 -3.471 423 HB VAL 55 HB VAL 55 1.902 -14.208 -4.898 424 1HG1 VAL 55 1HG1 VAL 55 2.168 -12.270 -3.438 425 2HG1 VAL 55 2HG1 VAL 55 3.876 -12.146 -3.905 426 3HG1 VAL 55 3HG1 VAL 55 2.606 -11.744 -5.076 427 1HG2 VAL 55 1HG2 VAL 55 3.832 -14.824 -6.443 428 2HG2 VAL 55 2HG2 VAL 55 3.173 -13.224 -6.764 429 3HG2 VAL 55 3HG2 VAL 55 4.689 -13.395 -5.875 430 H CYS 56 H CYS 56 4.587 -14.072 -1.334 431 HA CYS 56 HA CYS 56 2.137 -14.769 0.223 432 1HB CYS 56 1HB CYS 56 5.048 -14.427 1.028 433 2HB CYS 56 2HB CYS 56 3.718 -14.604 2.189 434 HG CYS 56 HG CYS 56 5.118 -16.857 1.754 435 H LEU 57 H LEU 57 0.843 -13.131 0.726 436 HA LEU 57 HA LEU 57 1.922 -10.365 0.815 437 1HB LEU 57 1HB LEU 57 -0.826 -11.551 0.565 438 2HB LEU 57 2HB LEU 57 -0.696 -9.965 1.301 439 HG LEU 57 HG LEU 57 0.497 -10.677 -1.405 440 1HD1 LEU 57 1HD1 LEU 57 -2.065 -10.654 -1.298 441 2HD1 LEU 57 2HD1 LEU 57 -1.946 -8.930 -0.939 442 3HD1 LEU 57 3HD1 LEU 57 -1.295 -9.574 -2.469 443 1HD2 LEU 57 1HD2 LEU 57 -0.051 -7.891 -0.262 444 2HD2 LEU 57 2HD2 LEU 57 1.531 -8.654 -0.193 445 3HD2 LEU 57 3HD2 LEU 57 0.774 -8.347 -1.743 446 H HIS 58 H HIS 58 2.848 -9.829 2.606 447 HA HIS 58 HA HIS 58 2.148 -10.995 5.223 448 1HB HIS 58 1HB HIS 58 4.204 -9.028 4.189 449 2HB HIS 58 2HB HIS 58 4.037 -9.417 5.887 450 HD1 HIS 58 HD1 HIS 58 5.945 -11.028 6.595 451 HD2 HIS 58 HD2 HIS 58 4.634 -11.520 2.591 452 HE1 HIS 58 HE1 HIS 58 7.472 -12.762 5.487 453 HE2 HIS 58 HE2 HIS 58 6.637 -13.175 3.153 454 H LEU 59 H LEU 59 0.143 -10.245 5.721 455 HA LEU 59 HA LEU 59 -0.675 -7.465 5.250 456 1HB LEU 59 1HB LEU 59 -2.021 -9.575 4.669 457 2HB LEU 59 2HB LEU 59 -2.184 -9.843 6.388 458 HG LEU 59 HG LEU 59 -3.025 -7.110 5.872 459 1HD1 LEU 59 1HD1 LEU 59 -4.274 -9.149 3.993 460 2HD1 LEU 59 2HD1 LEU 59 -4.933 -7.527 4.340 461 3HD1 LEU 59 3HD1 LEU 59 -3.387 -7.685 3.528 462 1HD2 LEU 59 1HD2 LEU 59 -5.291 -8.137 6.502 463 2HD2 LEU 59 2HD2 LEU 59 -4.434 -9.677 6.650 464 3HD2 LEU 59 3HD2 LEU 59 -3.957 -8.315 7.665 465 H ARG 60 H ARG 60 -1.132 -5.982 6.853 466 HA ARG 60 HA ARG 60 0.327 -6.260 9.242 467 1HB ARG 60 1HB ARG 60 -1.852 -4.337 8.408 468 2HB ARG 60 2HB ARG 60 -1.261 -4.286 10.048 469 1HG ARG 60 1HG ARG 60 0.713 -4.197 7.753 470 2HG ARG 60 2HG ARG 60 -0.107 -2.730 8.322 471 1HD ARG 60 1HD ARG 60 0.739 -3.000 10.564 472 2HD ARG 60 2HD ARG 60 1.384 -4.596 10.203 473 HE ARG 60 HE ARG 60 3.016 -3.687 8.765 474 1HH1 ARG 60 2HH2 ARG 60 1.584 -1.378 11.081 475 2HH1 ARG 60 1HH2 ARG 60 3.023 -0.437 11.222 476 1HH2 ARG 60 2HH1 ARG 60 4.915 -2.412 8.948 477 2HH2 ARG 60 1HH1 ARG 60 4.881 -0.997 9.971 478 H SER 61 H SER 61 -0.095 -6.612 11.320 479 HA SER 61 HA SER 61 -1.883 -8.529 12.211 480 1HB SER 61 1HB SER 61 -1.124 -7.543 14.451 481 2HB SER 61 2HB SER 61 0.178 -8.000 13.338 482 HG SER 61 HG SER 61 0.611 -5.919 14.093 483 H SER 62 H SER 62 -2.187 -5.013 12.083 484 HA SER 62 HA SER 62 -4.545 -4.896 13.774 485 1HB SER 62 1HB SER 62 -3.360 -2.849 11.851 486 2HB SER 62 2HB SER 62 -4.539 -2.511 13.131 487 HG SER 62 HG SER 62 -3.032 -2.931 14.647 488 H GLN 63 H GLN 63 -4.079 -5.823 10.512 489 HA GLN 63 HA GLN 63 -6.836 -5.021 9.735 490 1HB GLN 63 1HB GLN 63 -4.469 -5.450 7.891 491 2HB GLN 63 2HB GLN 63 -6.000 -4.670 7.517 492 1HG GLN 63 1HG GLN 63 -3.770 -3.604 9.287 493 2HG GLN 63 2HG GLN 63 -4.206 -3.026 7.711 494 1HE2 GLN 63 1HE2 GLN 63 -3.979 -1.568 10.177 495 2HE2 GLN 63 2HE2 GLN 63 -5.542 -0.911 10.646 496 H ARG 64 H ARG 64 -5.231 -7.720 10.788 497 HA ARG 64 HA ARG 64 -5.477 -9.534 8.690 498 1HB ARG 64 1HB ARG 64 -4.434 -9.953 10.988 499 2HB ARG 64 2HB ARG 64 -6.073 -10.404 11.516 500 1HG ARG 64 1HG ARG 64 -6.154 -12.089 9.644 501 2HG ARG 64 2HG ARG 64 -4.489 -11.659 9.222 502 1HD ARG 64 1HD ARG 64 -3.720 -12.485 11.388 503 2HD ARG 64 2HD ARG 64 -5.392 -12.775 11.905 504 HE ARG 64 HE ARG 64 -4.539 -14.084 9.428 505 1HH1 ARG 64 2HH2 ARG 64 -4.343 -14.571 12.911 506 2HH1 ARG 64 1HH2 ARG 64 -5.105 -16.135 12.902 507 1HH2 ARG 64 2HH1 ARG 64 -5.183 -16.287 9.343 508 2HH2 ARG 64 1HH1 ARG 64 -5.560 -17.159 10.799 509 H HIS 65 H HIS 65 -8.214 -8.491 10.754 510 HA HIS 65 HA HIS 65 -9.960 -10.479 9.721 511 1HB HIS 65 1HB HIS 65 -10.424 -9.179 11.745 512 2HB HIS 65 2HB HIS 65 -10.651 -7.732 10.760 513 HD1 HIS 65 HD1 HIS 65 -13.107 -7.241 10.397 514 HD2 HIS 65 HD2 HIS 65 -12.205 -11.361 10.678 515 HE1 HIS 65 HE1 HIS 65 -15.344 -8.530 10.166 516 HE2 HIS 65 HE2 HIS 65 -14.795 -11.020 10.390 517 H LEU 66 H LEU 66 -8.544 -7.913 7.890 518 HA LEU 66 HA LEU 66 -10.768 -7.865 5.932 519 1HB LEU 66 1HB LEU 66 -7.964 -6.647 5.852 520 2HB LEU 66 2HB LEU 66 -9.071 -6.671 4.502 521 HG LEU 66 HG LEU 66 -9.246 -4.546 5.330 522 1HD1 LEU 66 1HD1 LEU 66 -11.669 -5.878 6.589 523 2HD1 LEU 66 2HD1 LEU 66 -11.550 -4.272 5.853 524 3HD1 LEU 66 3HD1 LEU 66 -11.429 -5.702 4.839 525 1HD2 LEU 66 1HD2 LEU 66 -8.246 -4.908 7.581 526 2HD2 LEU 66 2HD2 LEU 66 -9.692 -3.911 7.655 527 3HD2 LEU 66 3HD2 LEU 66 -9.772 -5.612 8.152 528 H ASN 67 H ASN 67 -7.684 -9.521 6.561 529 HA ASN 67 HA ASN 67 -7.484 -10.802 3.949 530 1HB ASN 67 1HB ASN 67 -5.439 -10.829 5.184 531 2HB ASN 67 2HB ASN 67 -6.227 -11.495 6.629 532 1HD2 ASN 67 1HD2 ASN 67 -4.787 -13.450 6.645 533 2HD2 ASN 67 2HD2 ASN 67 -5.121 -14.682 5.476 534 H ASN 68 H ASN 68 -9.159 -11.845 3.365 535 HA ASN 68 HA ASN 68 -10.221 -14.019 5.060 536 1HB ASN 68 1HB ASN 68 -12.428 -13.495 4.787 537 2HB ASN 68 2HB ASN 68 -11.716 -11.936 5.152 538 1HD2 ASN 68 1HD2 ASN 68 -11.300 -10.428 3.297 539 2HD2 ASN 68 2HD2 ASN 68 -12.405 -10.529 1.932 540 H ARG 69 H ARG 69 -11.187 -15.772 3.757 541 HA ARG 69 HA ARG 69 -9.403 -16.225 1.562 542 1HB ARG 69 1HB ARG 69 -10.640 -17.927 3.227 543 2HB ARG 69 2HB ARG 69 -11.812 -17.994 1.899 544 1HG ARG 69 1HG ARG 69 -9.830 -18.406 0.333 545 2HG ARG 69 2HG ARG 69 -8.803 -18.534 1.761 546 1HD ARG 69 1HD ARG 69 -11.246 -20.293 1.330 547 2HD ARG 69 2HD ARG 69 -9.674 -20.702 0.662 548 HE ARG 69 HE ARG 69 -10.517 -20.700 3.488 549 1HH1 ARG 69 2HH2 ARG 69 -7.779 -21.143 1.263 550 2HH1 ARG 69 1HH2 ARG 69 -7.032 -22.383 2.204 551 1HH2 ARG 69 2HH1 ARG 69 -9.399 -22.243 4.855 552 2HH2 ARG 69 1HH1 ARG 69 -7.949 -22.986 4.257 553 H GLY 70 H GLY 70 -12.686 -15.036 1.787 554 1HA GLY 70 1HA GLY 70 -13.589 -15.262 -0.879 555 2HA GLY 70 2HA GLY 70 -14.019 -13.967 0.251 556 H ALA 71 H ALA 71 -11.783 -12.550 0.672 557 HA ALA 71 HA ALA 71 -11.369 -11.151 -1.797 558 1HB ALA 71 1HB ALA 71 -9.642 -9.874 -0.497 559 2HB ALA 71 2HB ALA 71 -11.209 -9.950 0.316 560 3HB ALA 71 3HB ALA 71 -9.861 -10.993 0.856 561 H GLN 72 H GLN 72 -9.347 -13.482 0.048 562 HA GLN 72 HA GLN 72 -7.016 -13.253 -1.475 563 1HB GLN 72 1HB GLN 72 -7.297 -14.528 0.684 564 2HB GLN 72 2HB GLN 72 -8.100 -15.811 -0.241 565 1HG GLN 72 1HG GLN 72 -5.999 -16.026 -1.631 566 2HG GLN 72 2HG GLN 72 -5.227 -14.854 -0.590 567 1HE2 GLN 72 1HE2 GLN 72 -3.915 -17.251 -0.756 568 2HE2 GLN 72 2HE2 GLN 72 -4.262 -18.277 0.604 569 H GLN 73 H GLN 73 -9.997 -15.143 -2.220 570 HA GLN 73 HA GLN 73 -8.909 -16.630 -4.365 571 1HB GLN 73 1HB GLN 73 -11.405 -16.449 -3.107 572 2HB GLN 73 2HB GLN 73 -11.734 -15.708 -4.659 573 1HG GLN 73 1HG GLN 73 -12.235 -17.936 -5.023 574 2HG GLN 73 2HG GLN 73 -10.616 -17.805 -5.712 575 1HE2 GLN 73 1HE2 GLN 73 -11.661 -20.280 -5.013 576 2HE2 GLN 73 2HE2 GLN 73 -10.831 -20.942 -3.616 577 H LYS 74 H LYS 74 -10.615 -13.497 -4.371 578 HA LYS 74 HA LYS 74 -10.333 -13.113 -7.191 579 1HB LYS 74 1HB LYS 74 -11.991 -11.914 -5.625 580 2HB LYS 74 2HB LYS 74 -10.638 -10.975 -5.029 581 1HG LYS 74 1HG LYS 74 -11.493 -9.506 -6.543 582 2HG LYS 74 2HG LYS 74 -10.318 -10.283 -7.587 583 1HD LYS 74 1HD LYS 74 -13.258 -11.073 -7.386 584 2HD LYS 74 2HD LYS 74 -12.664 -9.903 -8.549 585 1HE LYS 74 1HE LYS 74 -11.684 -12.784 -8.442 586 2HE LYS 74 2HE LYS 74 -13.064 -12.253 -9.390 587 1HZ LYS 74 1HZ LYS 74 -10.364 -11.106 -9.810 588 2HZ LYS 74 2HZ LYS 74 -11.053 -12.330 -10.683 589 3HZ LYS 74 3HZ LYS 74 -11.737 -10.868 -10.685 590 H LEU 75 H LEU 75 -8.395 -12.021 -4.415 591 HA LEU 75 HA LEU 75 -6.503 -10.472 -5.857 592 1HB LEU 75 1HB LEU 75 -6.830 -11.220 -3.149 593 2HB LEU 75 2HB LEU 75 -5.463 -12.050 -3.561 594 HG LEU 75 HG LEU 75 -5.901 -9.063 -3.897 595 1HD1 LEU 75 1HD1 LEU 75 -4.384 -8.852 -1.940 596 2HD1 LEU 75 2HD1 LEU 75 -5.870 -9.740 -1.576 597 3HD1 LEU 75 3HD1 LEU 75 -4.350 -10.624 -1.802 598 1HD2 LEU 75 1HD2 LEU 75 -4.163 -9.883 -5.503 599 2HD2 LEU 75 2HD2 LEU 75 -3.588 -8.706 -4.322 600 3HD2 LEU 75 3HD2 LEU 75 -3.194 -10.416 -4.120 601 H ALA 76 H ALA 76 -6.705 -14.032 -5.246 602 HA ALA 76 HA ALA 76 -4.067 -14.564 -6.219 603 1HB ALA 76 1HB ALA 76 -6.458 -16.429 -5.921 604 2HB ALA 76 2HB ALA 76 -4.760 -16.893 -6.169 605 3HB ALA 76 3HB ALA 76 -5.232 -16.065 -4.676 606 H GLU 77 H GLU 77 -7.302 -14.809 -7.737 607 HA GLU 77 HA GLU 77 -6.370 -15.722 -10.279 608 1HB GLU 77 1HB GLU 77 -8.788 -15.546 -9.372 609 2HB GLU 77 2HB GLU 77 -8.689 -13.819 -9.699 610 1HG GLU 77 1HG GLU 77 -8.094 -14.434 -12.130 611 2HG GLU 77 2HG GLU 77 -8.514 -16.106 -11.710 612 H ALA 78 H ALA 78 -6.673 -12.457 -8.847 613 HA ALA 78 HA ALA 78 -6.032 -10.978 -11.194 614 1HB ALA 78 1HB ALA 78 -5.537 -10.171 -8.291 615 2HB ALA 78 2HB ALA 78 -5.731 -9.106 -9.694 616 3HB ALA 78 3HB ALA 78 -7.103 -10.049 -9.116 617 H LEU 79 H LEU 79 -3.952 -12.094 -8.458 618 HA LEU 79 HA LEU 79 -1.527 -11.128 -9.587 619 1HB LEU 79 1HB LEU 79 -2.342 -12.638 -7.236 620 2HB LEU 79 2HB LEU 79 -0.946 -13.422 -7.955 621 HG LEU 79 HG LEU 79 -1.081 -10.438 -7.416 622 1HD1 LEU 79 1HD1 LEU 79 -1.339 -11.520 -5.321 623 2HD1 LEU 79 2HD1 LEU 79 0.006 -12.644 -5.653 624 3HD1 LEU 79 3HD1 LEU 79 0.312 -10.903 -5.413 625 1HD2 LEU 79 1HD2 LEU 79 0.670 -11.213 -9.090 626 2HD2 LEU 79 2HD2 LEU 79 1.393 -10.542 -7.622 627 3HD2 LEU 79 3HD2 LEU 79 1.317 -12.297 -7.864 628 H SER 80 H SER 80 -3.278 -14.181 -9.954 629 HA SER 80 HA SER 80 -1.174 -15.606 -11.317 630 1HB SER 80 1HB SER 80 -4.202 -15.916 -11.431 631 2HB SER 80 2HB SER 80 -3.031 -17.075 -12.060 632 HG SER 80 HG SER 80 -3.453 -16.235 -9.391 633 H MET 81 H MET 81 -3.890 -13.512 -12.421 634 HA MET 81 HA MET 81 -3.306 -13.845 -15.205 635 1HB MET 81 1HB MET 81 -5.478 -13.011 -14.051 636 2HB MET 81 2HB MET 81 -4.677 -11.447 -13.912 637 1HG MET 81 1HG MET 81 -6.044 -11.482 -15.912 638 2HG MET 81 2HG MET 81 -4.342 -11.424 -16.374 639 1HE MET 81 1HE MET 81 -7.612 -13.526 -16.179 640 2HE MET 81 2HE MET 81 -7.117 -15.115 -16.794 641 3HE MET 81 3HE MET 81 -6.554 -14.575 -15.204 642 H LEU 82 H LEU 82 -2.263 -11.565 -12.729 643 HA LEU 82 HA LEU 82 -0.902 -9.694 -14.391 644 1HB LEU 82 1HB LEU 82 -1.558 -9.160 -12.127 645 2HB LEU 82 2HB LEU 82 -0.633 -10.515 -11.481 646 HG LEU 82 HG LEU 82 1.483 -9.430 -12.157 647 1HD1 LEU 82 1HD1 LEU 82 0.541 -8.034 -14.030 648 2HD1 LEU 82 2HD1 LEU 82 -0.311 -7.048 -12.824 649 3HD1 LEU 82 3HD1 LEU 82 1.469 -7.106 -12.879 650 1HD2 LEU 82 1HD2 LEU 82 0.331 -9.112 -9.880 651 2HD2 LEU 82 2HD2 LEU 82 1.603 -7.999 -10.322 652 3HD2 LEU 82 3HD2 LEU 82 -0.083 -7.481 -10.456 653 H LYS 83 H LYS 83 0.212 -12.645 -12.721 654 HA LYS 83 HA LYS 83 2.961 -12.491 -13.694 655 1HB LYS 83 1HB LYS 83 2.025 -13.628 -11.571 656 2HB LYS 83 2HB LYS 83 1.362 -14.862 -12.632 657 1HG LYS 83 1HG LYS 83 3.329 -15.790 -11.807 658 2HG LYS 83 2HG LYS 83 3.779 -15.272 -13.424 659 1HD LYS 83 1HD LYS 83 5.053 -13.428 -12.597 660 2HD LYS 83 2HD LYS 83 4.261 -13.494 -11.001 661 1HE LYS 83 1HE LYS 83 5.301 -15.657 -10.516 662 2HE LYS 83 2HE LYS 83 6.073 -15.678 -12.099 663 1HZ LYS 83 1HZ LYS 83 6.623 -13.592 -10.064 664 2HZ LYS 83 2HZ LYS 83 7.480 -14.966 -10.219 665 3HZ LYS 83 3HZ LYS 83 7.451 -13.889 -11.469 666 H GLY 84 H GLY 84 -0.107 -13.869 -14.781 667 1HA GLY 84 1HA GLY 84 -0.755 -14.624 -16.843 668 2HA GLY 84 2HA GLY 84 0.917 -14.586 -17.421 669 H SER 85 H SER 85 0.648 -16.095 -14.338 670 HA SER 85 HA SER 85 0.574 -18.832 -15.411 671 1HB SER 85 1HB SER 85 2.905 -17.620 -13.877 672 2HB SER 85 2HB SER 85 2.741 -19.330 -14.308 673 HG SER 85 HG SER 85 3.462 -18.922 -16.188 674 H THR 86 H THR 86 0.892 -20.397 -13.446 675 HA THR 86 HA THR 86 -1.016 -19.851 -11.437 676 HB THR 86 HB THR 86 1.281 -21.866 -11.502 677 HG1 THR 86 1HG THR 86 -0.726 -23.127 -12.247 678 1HG2 THR 86 1HG2 THR 86 -1.432 -22.037 -10.121 679 2HG2 THR 86 2HG2 THR 86 -0.144 -23.259 -10.106 680 3HG2 THR 86 3HG2 THR 86 0.119 -21.718 -9.295 681 H VAL 87 H VAL 87 -0.802 -18.681 -9.561 682 HA VAL 87 HA VAL 87 1.908 -18.246 -8.401 683 HB VAL 87 HB VAL 87 -0.431 -16.308 -8.590 684 1HG1 VAL 87 1HG1 VAL 87 0.506 -16.041 -6.387 685 2HG1 VAL 87 2HG1 VAL 87 2.159 -16.129 -7.026 686 3HG1 VAL 87 3HG1 VAL 87 1.127 -14.722 -7.378 687 1HG2 VAL 87 1HG2 VAL 87 1.178 -14.836 -9.749 688 2HG2 VAL 87 2HG2 VAL 87 2.432 -16.095 -9.628 689 3HG2 VAL 87 3HG2 VAL 87 0.990 -16.355 -10.630 690 H GLU 88 H GLU 88 1.988 -18.991 -6.306 691 HA GLU 88 HA GLU 88 -0.561 -19.925 -5.064 692 1HB GLU 88 1HB GLU 88 2.368 -20.293 -4.328 693 2HB GLU 88 2HB GLU 88 1.007 -20.797 -3.303 694 1HG GLU 88 1HG GLU 88 0.146 -22.190 -5.197 695 2HG GLU 88 2HG GLU 88 1.582 -21.775 -6.139 696 H LEU 89 H LEU 89 -1.430 -17.826 -4.901 697 HA LEU 89 HA LEU 89 0.012 -15.760 -3.444 698 1HB LEU 89 1HB LEU 89 -1.477 -14.922 -5.039 699 2HB LEU 89 2HB LEU 89 -2.808 -15.936 -4.462 700 HG LEU 89 HG LEU 89 -2.960 -14.680 -2.361 701 1HD1 LEU 89 1HD1 LEU 89 -1.851 -12.655 -1.903 702 2HD1 LEU 89 2HD1 LEU 89 -0.600 -13.863 -2.065 703 3HD1 LEU 89 3HD1 LEU 89 -0.901 -12.703 -3.387 704 1HD2 LEU 89 1HD2 LEU 89 -3.460 -12.416 -3.376 705 2HD2 LEU 89 2HD2 LEU 89 -2.945 -13.085 -4.927 706 3HD2 LEU 89 3HD2 LEU 89 -4.285 -13.845 -4.009 707 H THR 90 H THR 90 0.302 -15.888 -1.303 708 HA THR 90 HA THR 90 -1.680 -17.349 0.380 709 HB THR 90 HB THR 90 1.259 -16.911 0.971 710 HG1 THR 90 1HG THR 90 0.919 -18.151 -0.992 711 1HG2 THR 90 1HG2 THR 90 -0.757 -18.943 2.025 712 2HG2 THR 90 2HG2 THR 90 0.957 -18.851 2.471 713 3HG2 THR 90 3HG2 THR 90 -0.117 -17.533 2.905 714 H ILE 91 H ILE 91 -1.880 -16.231 2.567 715 HA ILE 91 HA ILE 91 -0.991 -13.422 2.561 716 HB ILE 91 HB ILE 91 -3.669 -14.183 3.694 717 1HG1 ILE 91 1HG1 ILE 91 -3.915 -14.679 1.293 718 2HG1 ILE 91 2HG1 ILE 91 -4.960 -13.413 1.889 719 1HG2 ILE 91 1HG2 ILE 91 -4.040 -11.681 3.417 720 2HG2 ILE 91 2HG2 ILE 91 -2.725 -12.121 4.528 721 3HG2 ILE 91 3HG2 ILE 91 -2.357 -11.548 2.892 722 1HD1 ILE 91 1HD1 ILE 91 -4.143 -12.849 -0.325 723 2HD1 ILE 91 2HD1 ILE 91 -3.540 -11.679 0.850 724 3HD1 ILE 91 3HD1 ILE 91 -2.472 -12.966 0.239 725 H VAL 92 H VAL 92 -0.041 -12.990 4.546 726 HA VAL 92 HA VAL 92 -0.368 -14.969 6.744 727 HB VAL 92 HB VAL 92 1.988 -14.963 7.172 728 1HG1 VAL 92 1HG1 VAL 92 1.610 -15.590 4.214 729 2HG1 VAL 92 2HG1 VAL 92 2.832 -16.255 5.304 730 3HG1 VAL 92 3HG1 VAL 92 1.123 -16.649 5.561 731 1HG2 VAL 92 1HG2 VAL 92 3.679 -14.017 5.648 732 2HG2 VAL 92 2HG2 VAL 92 2.397 -13.221 4.712 733 3HG2 VAL 92 3HG2 VAL 92 2.705 -12.766 6.414 734 H GLU 93 H GLU 93 0.039 -13.934 8.908 735 HA GLU 93 HA GLU 93 -0.663 -11.054 8.809 736 1HB GLU 93 1HB GLU 93 -1.859 -12.701 10.372 737 2HB GLU 93 2HB GLU 93 -0.348 -12.801 11.282 738 1HG GLU 93 1HG GLU 93 -0.442 -10.164 11.253 739 2HG GLU 93 2HG GLU 93 -2.117 -10.378 10.781 740 H ASP 94 H ASP 94 0.980 -9.534 9.144 741 HA ASP 94 HA ASP 94 3.412 -10.356 10.598 742 1HB ASP 94 1HB ASP 94 3.630 -10.581 7.994 743 2HB ASP 94 2HB ASP 94 3.725 -8.813 8.034 744 H ASP 95 H ASP 95 3.721 -9.011 12.145 745 HA ASP 95 HA ASP 95 2.141 -6.616 12.420 746 1HB ASP 95 1HB ASP 95 2.720 -8.226 14.234 747 2HB ASP 95 2HB ASP 95 4.408 -7.713 14.120 748 H ASN 96 H ASN 96 5.700 -7.132 12.461 749 HA ASN 96 HA ASN 96 6.174 -4.705 10.904 750 1HB ASN 96 1HB ASN 96 5.740 -3.698 13.118 751 2HB ASN 96 2HB ASN 96 7.086 -4.606 13.799 752 1HD2 ASN 96 1HD2 ASN 96 9.312 -4.232 12.599 753 2HD2 ASN 96 2HD2 ASN 96 9.605 -2.637 11.966 754 HA PRO 97 HA PRO 97 9.588 -7.778 10.644 755 1HB PRO 97 1HB PRO 97 9.622 -8.110 7.933 756 2HB PRO 97 2HB PRO 97 8.479 -8.957 9.012 757 1HG PRO 97 1HG PRO 97 7.957 -6.522 7.299 758 2HG PRO 97 2HG PRO 97 6.902 -7.922 7.650 759 1HD PRO 97 1HD PRO 97 6.734 -5.473 8.917 760 2HD PRO 97 2HD PRO 97 6.104 -7.019 9.558 761 H ALA 98 H ALA 98 9.638 -5.847 7.669 762 HA ALA 98 HA ALA 98 11.181 -3.641 8.668 763 1HB ALA 98 1HB ALA 98 13.005 -5.247 8.611 764 2HB ALA 98 2HB ALA 98 12.575 -5.737 6.949 765 3HB ALA 98 3HB ALA 98 13.197 -4.106 7.282 766 H VAL 99 H VAL 99 8.644 -3.955 7.264 767 HA VAL 99 HA VAL 99 9.289 -2.703 4.671 768 HB VAL 99 HB VAL 99 7.334 -4.989 4.742 769 1HG1 VAL 99 1HG1 VAL 99 7.799 -5.024 2.283 770 2HG1 VAL 99 2HG1 VAL 99 7.172 -3.465 2.800 771 3HG1 VAL 99 3HG1 VAL 99 8.909 -3.666 2.479 772 1HG2 VAL 99 1HG2 VAL 99 10.284 -5.239 4.012 773 2HG2 VAL 99 2HG2 VAL 99 9.434 -6.102 5.322 774 3HG2 VAL 99 3HG2 VAL 99 9.040 -6.438 3.648 775 H ARG 100 H ARG 100 7.601 -1.472 3.810 776 HA ARG 100 HA ARG 100 5.419 -0.705 5.695 777 1HB ARG 100 1HB ARG 100 6.764 0.816 3.397 778 2HB ARG 100 2HB ARG 100 5.284 1.321 4.173 779 1HG ARG 100 1HG ARG 100 6.751 2.593 5.408 780 2HG ARG 100 2HG ARG 100 6.753 1.140 6.407 781 1HD ARG 100 1HD ARG 100 8.764 0.489 4.738 782 2HD ARG 100 2HD ARG 100 8.876 2.228 4.542 783 HE ARG 100 HE ARG 100 9.242 0.578 7.006 784 1HH1 ARG 100 2HH2 ARG 100 9.708 3.807 5.520 785 2HH1 ARG 100 1HH2 ARG 100 10.827 4.311 6.746 786 1HH2 ARG 100 2HH1 ARG 100 10.951 1.182 8.357 787 2HH2 ARG 100 1HH1 ARG 100 11.524 2.806 8.392 788 H THR 101 H THR 101 3.320 -1.180 4.942 789 HA THR 101 HA THR 101 3.001 -2.819 2.549 790 HB THR 101 HB THR 101 0.602 -2.660 3.287 791 HG1 THR 101 1HG THR 101 0.187 -1.423 5.216 792 1HG2 THR 101 1HG2 THR 101 2.397 -3.151 5.718 793 2HG2 THR 101 2HG2 THR 101 0.762 -3.767 5.444 794 3HG2 THR 101 3HG2 THR 101 2.100 -4.336 4.434 795 HA PRO 102 HA PRO 102 2.061 0.567 -0.236 796 1HB PRO 102 1HB PRO 102 -0.740 -0.515 -0.426 797 2HB PRO 102 2HB PRO 102 0.295 0.090 -1.751 798 1HG PRO 102 1HG PRO 102 0.052 -2.577 -1.348 799 2HG PRO 102 2HG PRO 102 1.673 -1.880 -1.643 800 1HD PRO 102 1HD PRO 102 0.423 -2.686 0.980 801 2HD PRO 102 2HD PRO 102 2.102 -2.918 0.423 802 H LEU 103 H LEU 103 -0.502 -0.171 2.234 803 HA LEU 103 HA LEU 103 -1.558 2.501 2.173 804 1HB LEU 103 1HB LEU 103 -2.633 0.255 3.130 805 2HB LEU 103 2HB LEU 103 -1.804 0.739 4.611 806 HG LEU 103 HG LEU 103 -2.920 3.115 4.033 807 1HD1 LEU 103 1HD1 LEU 103 -4.866 1.170 2.726 808 2HD1 LEU 103 2HD1 LEU 103 -5.070 2.923 2.913 809 3HD1 LEU 103 3HD1 LEU 103 -3.823 2.296 1.833 810 1HD2 LEU 103 1HD2 LEU 103 -4.532 0.847 5.209 811 2HD2 LEU 103 2HD2 LEU 103 -3.364 1.859 6.080 812 3HD2 LEU 103 3HD2 LEU 103 -4.841 2.581 5.424 813 H GLU 104 H GLU 104 1.015 0.936 4.121 814 HA GLU 104 HA GLU 104 1.352 3.288 5.826 815 1HB GLU 104 1HB GLU 104 3.116 0.860 5.326 816 2HB GLU 104 2HB GLU 104 3.541 2.177 6.415 817 1HG GLU 104 1HG GLU 104 1.128 0.341 6.705 818 2HG GLU 104 2HG GLU 104 2.600 0.303 7.668 819 H TRP 105 H TRP 105 2.891 2.046 2.796 820 HA TRP 105 HA TRP 105 4.730 4.183 2.502 821 1HB TRP 105 1HB TRP 105 3.375 2.277 0.594 822 2HB TRP 105 2HB TRP 105 4.280 3.645 -0.027 823 HD1 TRP 105 HD TRP 105 4.848 0.165 0.522 824 HE1 TRP 105 1HE TRP 105 7.323 -0.363 0.442 825 HE3 TRP 105 3HE TRP 105 6.681 4.890 1.356 826 HZ2 TRP 105 2HZ TRP 105 9.853 1.087 0.837 827 HZ3 TRP 105 3HZ TRP 105 9.108 5.243 1.641 828 HH2 TRP 105 HH TRP 105 10.692 3.373 1.355 829 H ARG 106 H ARG 106 1.271 3.925 1.538 830 HA ARG 106 HA ARG 106 1.096 6.407 0.198 831 1HB ARG 106 1HB ARG 106 -0.750 4.602 0.417 832 2HB ARG 106 2HB ARG 106 -1.074 5.257 2.012 833 1HG ARG 106 1HG ARG 106 -2.671 6.258 0.614 834 2HG ARG 106 2HG ARG 106 -1.471 7.515 0.881 835 1HD ARG 106 1HD ARG 106 -1.397 7.792 -1.326 836 2HD ARG 106 2HD ARG 106 -0.559 6.243 -1.463 837 HE ARG 106 HE ARG 106 -3.234 6.965 -2.274 838 1HH1 ARG 106 2HH2 ARG 106 -1.005 4.154 -1.849 839 2HH1 ARG 106 1HH2 ARG 106 -2.138 3.146 -2.689 840 1HH2 ARG 106 2HH1 ARG 106 -4.711 5.395 -3.142 841 2HH2 ARG 106 1HH1 ARG 106 -4.026 3.840 -3.490 842 H GLN 107 H GLN 107 0.887 5.659 3.686 843 HA GLN 107 HA GLN 107 0.442 8.368 4.549 844 1HB GLN 107 1HB GLN 107 0.168 6.069 5.827 845 2HB GLN 107 2HB GLN 107 1.879 6.232 6.172 846 1HG GLN 107 1HG GLN 107 0.855 7.176 8.050 847 2HG GLN 107 2HG GLN 107 1.352 8.574 7.108 848 1HE2 GLN 107 1HE2 GLN 107 -1.469 6.290 7.205 849 2HE2 GLN 107 2HE2 GLN 107 -2.695 7.545 7.143 850 H ALA 108 H ALA 108 3.369 6.331 4.082 851 HA ALA 108 HA ALA 108 5.150 8.122 5.305 852 1HB ALA 108 1HB ALA 108 5.807 6.019 3.208 853 2HB ALA 108 2HB ALA 108 6.867 6.654 4.478 854 3HB ALA 108 3HB ALA 108 5.489 5.646 4.922 855 H ILE 109 H ILE 109 4.198 7.752 1.874 856 HA ILE 109 HA ILE 109 6.058 9.866 1.092 857 HB ILE 109 HB ILE 109 3.875 8.453 -0.459 858 1HG1 ILE 109 1HG1 ILE 109 5.958 8.090 -2.014 859 2HG1 ILE 109 2HG1 ILE 109 6.933 8.629 -0.653 860 1HG2 ILE 109 1HG2 ILE 109 4.548 9.723 -2.432 861 2HG2 ILE 109 2HG2 ILE 109 3.889 10.807 -1.217 862 3HG2 ILE 109 3HG2 ILE 109 5.650 10.717 -1.440 863 1HD1 ILE 109 1HD1 ILE 109 6.127 6.777 0.671 864 2HD1 ILE 109 2HD1 ILE 109 4.973 6.306 -0.595 865 3HD1 ILE 109 3HD1 ILE 109 6.706 6.163 -0.900 866 H TYR 110 H TYR 110 2.601 9.769 2.048 867 HA TYR 110 HA TYR 110 1.960 12.471 1.456 868 1HB TYR 110 1HB TYR 110 0.488 10.568 2.282 869 2HB TYR 110 2HB TYR 110 1.102 10.864 3.896 870 HD1 TYR 110 HD1 TYR 110 0.456 13.038 5.118 871 HD2 TYR 110 HD2 TYR 110 -1.042 11.925 1.234 872 HE1 TYR 110 HE1 TYR 110 -1.489 14.562 5.412 873 HE2 TYR 110 HE2 TYR 110 -3.023 13.369 1.549 874 HH TYR 110 HH TYR 110 -4.317 14.239 3.322 875 H GLU 111 H GLU 111 3.603 10.999 4.200 876 HA GLU 111 HA GLU 111 3.970 13.378 5.733 877 1HB GLU 111 1HB GLU 111 3.978 10.820 6.369 878 2HB GLU 111 2HB GLU 111 5.651 10.842 5.801 879 1HG GLU 111 1HG GLU 111 5.793 12.922 7.421 880 2HG GLU 111 2HG GLU 111 4.347 12.193 8.147 881 H GLU 112 H GLU 112 6.209 11.483 3.521 882 HA GLU 112 HA GLU 112 8.356 13.200 3.853 883 1HB GLU 112 1HB GLU 112 9.448 11.805 2.510 884 2HB GLU 112 2HB GLU 112 8.114 10.803 2.846 885 1HG GLU 112 1HG GLU 112 8.056 10.399 0.691 886 2HG GLU 112 2HG GLU 112 7.206 11.918 0.499 887 H LYS 113 H LYS 113 5.657 13.427 1.545 888 HA LYS 113 HA LYS 113 6.854 15.546 0.009 889 1HB LYS 113 1HB LYS 113 4.413 14.013 -0.178 890 2HB LYS 113 2HB LYS 113 3.964 15.704 -0.114 891 1HG LYS 113 1HG LYS 113 4.286 15.234 -2.417 892 2HG LYS 113 2HG LYS 113 5.724 16.137 -1.922 893 1HD LYS 113 1HD LYS 113 6.766 13.738 -1.507 894 2HD LYS 113 2HD LYS 113 5.430 13.161 -2.501 895 1HE LYS 113 1HE LYS 113 7.590 15.175 -3.285 896 2HE LYS 113 2HE LYS 113 7.463 13.493 -3.810 897 1HZ LYS 113 1HZ LYS 113 5.357 14.115 -4.902 898 2HZ LYS 113 2HZ LYS 113 5.642 15.705 -4.533 899 3HZ LYS 113 3HZ LYS 113 6.671 14.889 -5.503 900 H LEU 114 H LEU 114 5.434 15.508 3.089 901 HA LEU 114 HA LEU 114 4.875 18.434 3.154 902 1HB LEU 114 1HB LEU 114 4.184 16.026 4.803 903 2HB LEU 114 2HB LEU 114 4.607 17.440 5.739 904 HG LEU 114 HG LEU 114 2.441 17.373 3.605 905 1HD1 LEU 114 1HD1 LEU 114 0.885 17.357 5.572 906 2HD1 LEU 114 2HD1 LEU 114 1.885 15.899 5.491 907 3HD1 LEU 114 3HD1 LEU 114 2.280 17.183 6.653 908 1HD2 LEU 114 1HD2 LEU 114 3.311 19.665 3.992 909 2HD2 LEU 114 2HD2 LEU 114 1.688 19.486 4.649 910 3HD2 LEU 114 3HD2 LEU 114 3.089 19.460 5.742 911 H ALA 115 H ALA 115 7.035 15.865 4.393 912 HA ALA 115 HA ALA 115 8.473 17.518 6.188 913 1HB ALA 115 1HB ALA 115 8.450 14.986 6.201 914 2HB ALA 115 2HB ALA 115 9.465 15.009 4.746 915 3HB ALA 115 3HB ALA 115 10.092 15.670 6.260 916 H GLN 116 H GLN 116 8.947 16.760 2.780 917 HA GLN 116 HA GLN 116 11.544 17.914 2.510 918 1HB GLN 116 1HB GLN 116 11.185 17.946 0.127 919 2HB GLN 116 2HB GLN 116 10.587 16.425 0.790 920 1HG GLN 116 1HG GLN 116 8.277 17.304 0.672 921 2HG GLN 116 2HG GLN 116 8.878 18.802 -0.040 922 1HE2 GLN 116 1HE2 GLN 116 9.603 18.808 -2.267 923 2HE2 GLN 116 2HE2 GLN 116 9.056 17.491 -3.302 924 H ALA 117 H ALA 117 8.415 19.419 2.803 925 HA ALA 117 HA ALA 117 9.093 21.921 1.538 926 1HB ALA 117 1HB ALA 117 7.076 22.759 2.538 927 2HB ALA 117 2HB ALA 117 6.747 21.088 2.055 928 3HB ALA 117 3HB ALA 117 7.054 21.474 3.761 929 H ARG 118 H ARG 118 9.391 20.651 4.883 930 HA ARG 118 HA ARG 118 10.402 23.205 5.864 931 1HB ARG 118 1HB ARG 118 9.200 21.358 7.176 932 2HB ARG 118 2HB ARG 118 10.754 20.528 7.256 933 1HG ARG 118 1HG ARG 118 10.371 23.421 8.145 934 2HG ARG 118 2HG ARG 118 9.941 22.100 9.190 935 1HD ARG 118 1HD ARG 118 12.751 22.521 8.068 936 2HD ARG 118 2HD ARG 118 12.223 23.055 9.649 937 HE ARG 118 HE ARG 118 13.068 20.444 8.874 938 1HH1 ARG 118 2HH2 ARG 118 10.949 22.101 11.213 939 2HH1 ARG 118 1HH2 ARG 118 10.708 20.706 12.208 940 1HH2 ARG 118 2HH1 ARG 118 12.970 18.660 10.412 941 2HH2 ARG 118 1HH1 ARG 118 11.721 18.695 11.620 942 H GLU 119 H GLU 119 11.825 20.124 4.692 943 HA GLU 119 HA GLU 119 14.531 20.788 5.188 944 1HB GLU 119 1HB GLU 119 13.419 18.575 4.459 945 2HB GLU 119 2HB GLU 119 13.466 19.206 2.810 946 1HG GLU 119 1HG GLU 119 15.950 19.399 2.987 947 2HG GLU 119 2HG GLU 119 15.870 18.723 4.621 948 H SER 120 H SER 120 12.372 21.715 2.502 949 HA SER 120 HA SER 120 14.261 22.916 0.871 950 1HB SER 120 1HB SER 120 11.788 22.364 0.437 951 2HB SER 120 2HB SER 120 11.426 23.939 1.174 952 HG SER 120 HG SER 120 13.022 23.334 -1.104 953 H ILE 121 H ILE 121 13.075 24.091 3.958 954 HA ILE 121 HA ILE 121 13.606 26.896 3.579 955 HB ILE 121 HB ILE 121 13.671 25.179 6.094 956 1HG1 ILE 121 1HG1 ILE 121 11.439 26.919 4.927 957 2HG1 ILE 121 2HG1 ILE 121 11.470 25.161 4.893 958 1HG2 ILE 121 1HG2 ILE 121 13.334 28.186 5.999 959 2HG2 ILE 121 2HG2 ILE 121 13.469 27.163 7.432 960 3HG2 ILE 121 3HG2 ILE 121 14.863 27.381 6.385 961 1HD1 ILE 121 1HD1 ILE 121 11.166 26.918 7.334 962 2HD1 ILE 121 2HD1 ILE 121 10.036 25.731 6.667 963 3HD1 ILE 121 3HD1 ILE 121 11.550 25.187 7.429 964 H ILE 122 H ILE 122 15.605 24.040 4.487 965 HA ILE 122 HA ILE 122 17.996 25.667 4.912 966 HB ILE 122 HB ILE 122 17.789 22.649 4.502 967 1HG1 ILE 122 1HG1 ILE 122 18.261 22.874 7.164 968 2HG1 ILE 122 2HG1 ILE 122 17.334 24.354 6.959 969 1HG2 ILE 122 1HG2 ILE 122 19.977 22.599 5.643 970 2HG2 ILE 122 2HG2 ILE 122 20.057 23.569 4.175 971 3HG2 ILE 122 3HG2 ILE 122 19.970 24.376 5.752 972 1HD1 ILE 122 1HD1 ILE 122 15.919 22.444 7.622 973 2HD1 ILE 122 2HD1 ILE 122 15.456 22.983 6.011 974 3HD1 ILE 122 3HD1 ILE 122 16.456 21.525 6.205 975 H ALA 123 H ALA 123 16.551 23.651 2.320 976 HA ALA 123 HA ALA 123 18.736 23.718 0.568 977 1HB ALA 123 1HB ALA 123 16.659 22.262 0.358 978 2HB ALA 123 2HB ALA 123 15.813 23.709 -0.276 979 3HB ALA 123 3HB ALA 123 17.166 23.034 -1.159 980 H ASP 124 H ASP 124 16.463 26.282 1.265 981 HA ASP 124 HA ASP 124 17.021 27.852 -1.130 982 1HB ASP 124 1HB ASP 124 15.655 28.392 1.524 983 2HB ASP 124 2HB ASP 124 15.989 29.691 0.379 984 H ASN 125 H ASN 125 18.769 27.282 1.797 985 HA ASN 125 HA ASN 125 20.301 29.791 1.637 986 1HB ASN 125 1HB ASN 125 19.921 28.422 3.774 987 2HB ASN 125 2HB ASN 125 21.062 27.242 3.133 988 1HD2 ASN 125 1HD2 ASN 125 22.856 29.493 1.906 989 2HD2 ASN 125 2HD2 ASN 125 23.616 30.134 3.358 990 H ASN 126 H ASN 126 20.671 26.312 0.728 991 HA ASN 126 HA ASN 126 21.911 26.659 -1.677 992 1HB ASN 126 1HB ASN 126 24.001 27.358 -0.722 993 2HB ASN 126 2HB ASN 126 23.845 26.230 0.627 994 1HD2 ASN 126 1HD2 ASN 126 23.953 25.845 -3.164 995 2HD2 ASN 126 2HD2 ASN 126 25.102 24.589 -2.931 996 H ILE 127 H ILE 127 22.054 24.685 -2.579 997 HA ILE 127 HA ILE 127 21.968 22.166 -1.204 998 HB ILE 127 HB ILE 127 19.523 23.171 -1.341 999 1HG1 ILE 127 1HG1 ILE 127 19.939 21.121 -0.273 1000 2HG1 ILE 127 2HG1 ILE 127 18.526 20.971 -1.304 1001 1HG2 ILE 127 1HG2 ILE 127 18.165 22.458 -3.209 1002 2HG2 ILE 127 2HG2 ILE 127 19.404 23.616 -3.707 1003 3HG2 ILE 127 3HG2 ILE 127 19.598 21.885 -4.073 1004 1HD1 ILE 127 1HD1 ILE 127 19.992 19.794 -3.012 1005 2HD1 ILE 127 2HD1 ILE 127 21.288 19.800 -1.791 1006 3HD1 ILE 127 3HD1 ILE 127 19.778 18.942 -1.479 1007 H GLN 128 H GLN 128 21.960 24.214 -4.066 1008 HA GLN 128 HA GLN 128 23.768 22.593 -5.513 1009 1HB GLN 128 1HB GLN 128 21.299 22.007 -6.207 1010 2HB GLN 128 2HB GLN 128 21.218 23.656 -6.826 1011 1HG GLN 128 1HG GLN 128 22.898 23.189 -8.493 1012 2HG GLN 128 2HG GLN 128 23.386 21.693 -7.677 1013 1HE2 GLN 128 1HE2 GLN 128 20.472 23.199 -9.189 1014 2HE2 GLN 128 2HE2 GLN 128 19.767 21.669 -9.719 Start of MODEL 4 1 1H MET 1 H MET 1 -18.172 1.208 -11.220 2 HA MET 1 HA MET 1 -17.562 -1.092 -10.892 3 1HB MET 1 1HB MET 1 -14.835 0.185 -10.767 4 2HB MET 1 2HB MET 1 -15.172 -1.177 -9.712 5 1HG MET 1 1HG MET 1 -15.565 -1.231 -12.714 6 2HG MET 1 2HG MET 1 -14.177 -1.885 -11.844 7 1HE MET 1 1HE MET 1 -15.994 -3.496 -13.926 8 2HE MET 1 2HE MET 1 -14.541 -4.149 -13.139 9 3HE MET 1 3HE MET 1 -16.059 -5.074 -13.113 10 H LYS 2 H LYS 2 -18.387 -1.704 -9.007 11 HA LYS 2 HA LYS 2 -19.331 0.094 -7.125 12 1HB LYS 2 1HB LYS 2 -18.981 -2.897 -7.242 13 2HB LYS 2 2HB LYS 2 -19.373 -2.179 -5.683 14 1HG LYS 2 1HG LYS 2 -21.369 -1.108 -6.616 15 2HG LYS 2 2HG LYS 2 -21.008 -1.769 -8.218 16 1HD LYS 2 1HD LYS 2 -21.384 -4.022 -7.486 17 2HD LYS 2 2HD LYS 2 -21.326 -3.551 -5.786 18 1HE LYS 2 1HE LYS 2 -23.621 -3.967 -6.353 19 2HE LYS 2 2HE LYS 2 -23.405 -2.240 -6.038 20 1HZ LYS 2 1HZ LYS 2 -23.621 -3.524 -8.687 21 2HZ LYS 2 2HZ LYS 2 -24.741 -2.593 -7.955 22 3HZ LYS 2 3HZ LYS 2 -23.339 -1.902 -8.457 23 H ALA 3 H ALA 3 -18.210 1.396 -5.820 24 HA ALA 3 HA ALA 3 -16.210 0.281 -3.991 25 1HB ALA 3 1HB ALA 3 -15.717 2.828 -5.592 26 2HB ALA 3 2HB ALA 3 -14.647 2.108 -4.369 27 3HB ALA 3 3HB ALA 3 -14.916 1.275 -5.899 28 H LEU 4 H LEU 4 -15.790 2.858 -2.735 29 HA LEU 4 HA LEU 4 -18.598 3.525 -1.946 30 1HB LEU 4 1HB LEU 4 -17.343 2.210 -0.213 31 2HB LEU 4 2HB LEU 4 -16.396 3.666 0.101 32 HG LEU 4 HG LEU 4 -19.454 3.687 0.055 33 1HD1 LEU 4 1HD1 LEU 4 -18.764 1.960 1.621 34 2HD1 LEU 4 2HD1 LEU 4 -17.658 3.109 2.422 35 3HD1 LEU 4 3HD1 LEU 4 -19.421 3.358 2.474 36 1HD2 LEU 4 1HD2 LEU 4 -18.520 5.926 0.080 37 2HD2 LEU 4 2HD2 LEU 4 -19.144 5.579 1.679 38 3HD2 LEU 4 3HD2 LEU 4 -17.392 5.506 1.401 39 H GLU 5 H GLU 5 -15.798 5.257 -0.778 40 HA GLU 5 HA GLU 5 -15.091 7.306 -0.958 41 1HB GLU 5 1HB GLU 5 -14.499 6.750 -3.284 42 2HB GLU 5 2HB GLU 5 -16.065 7.346 -3.839 43 1HG GLU 5 1HG GLU 5 -14.307 9.039 -4.163 44 2HG GLU 5 2HG GLU 5 -15.528 9.608 -3.037 45 H HIS 6 H HIS 6 -15.752 9.360 -0.476 46 HA HIS 6 HA HIS 6 -18.638 9.976 -0.594 47 1HB HIS 6 1HB HIS 6 -18.424 8.581 1.412 48 2HB HIS 6 2HB HIS 6 -17.124 9.597 2.023 49 HD1 HIS 6 HD1 HIS 6 -19.054 12.372 1.128 50 HD2 HIS 6 HD2 HIS 6 -19.827 9.042 3.642 51 HE1 HIS 6 HE1 HIS 6 -20.787 13.119 2.845 52 HE2 HIS 6 HE2 HIS 6 -21.269 11.080 4.357 53 H GLU 7 H GLU 7 -15.492 11.027 0.945 54 HA GLU 7 HA GLU 7 -15.464 13.286 -0.751 55 1HB GLU 7 1HB GLU 7 -17.237 13.883 1.180 56 2HB GLU 7 2HB GLU 7 -15.782 14.253 2.091 57 1HG GLU 7 1HG GLU 7 -15.027 15.704 0.148 58 2HG GLU 7 2HG GLU 7 -16.520 15.311 -0.693 59 H LYS 8 H LYS 8 -13.578 11.134 -0.056 60 HA LYS 8 HA LYS 8 -11.501 12.342 1.612 61 1HB LYS 8 1HB LYS 8 -11.698 9.854 -0.111 62 2HB LYS 8 2HB LYS 8 -10.220 10.348 0.683 63 1HG LYS 8 1HG LYS 8 -11.116 10.034 2.876 64 2HG LYS 8 2HG LYS 8 -12.771 10.088 2.296 65 1HD LYS 8 1HD LYS 8 -12.564 7.917 2.764 66 2HD LYS 8 2HD LYS 8 -12.291 7.919 1.032 67 1HE LYS 8 1HE LYS 8 -10.177 7.669 3.240 68 2HE LYS 8 2HE LYS 8 -10.815 6.358 2.238 69 1HZ LYS 8 1HZ LYS 8 -9.024 8.525 1.432 70 2HZ LYS 8 2HZ LYS 8 -8.816 6.895 1.275 71 3HZ LYS 8 3HZ LYS 8 -9.886 7.664 0.305 72 H THR 9 H THR 9 -9.320 12.411 0.255 73 HA THR 9 HA THR 9 -9.834 13.967 -2.226 74 HB THR 9 HB THR 9 -7.461 14.694 -1.877 75 HG1 THR 9 1HG THR 9 -7.932 13.902 0.816 76 1HG2 THR 9 1HG2 THR 9 -9.551 15.355 0.257 77 2HG2 THR 9 2HG2 THR 9 -8.139 16.354 -0.175 78 3HG2 THR 9 3HG2 THR 9 -9.438 16.079 -1.350 79 HA PRO 10 HA PRO 10 -8.158 10.044 -3.912 80 1HB PRO 10 1HB PRO 10 -9.631 9.892 -6.219 81 2HB PRO 10 2HB PRO 10 -10.259 9.369 -4.626 82 1HG PRO 10 1HG PRO 10 -10.668 12.056 -5.989 83 2HG PRO 10 2HG PRO 10 -11.917 10.976 -5.274 84 1HD PRO 10 1HD PRO 10 -10.910 13.052 -3.877 85 2HD PRO 10 2HD PRO 10 -11.242 11.469 -3.093 86 H GLU 11 H GLU 11 -8.118 13.384 -4.983 87 HA GLU 11 HA GLU 11 -6.334 12.700 -7.264 88 1HB GLU 11 1HB GLU 11 -7.050 15.456 -6.201 89 2HB GLU 11 2HB GLU 11 -6.088 15.054 -7.631 90 1HG GLU 11 1HG GLU 11 -8.225 13.587 -8.241 91 2HG GLU 11 2HG GLU 11 -9.051 14.720 -7.191 92 H LEU 12 H LEU 12 -6.229 14.261 -4.063 93 HA LEU 12 HA LEU 12 -3.421 14.721 -3.944 94 1HB LEU 12 1HB LEU 12 -5.276 15.520 -2.323 95 2HB LEU 12 2HB LEU 12 -5.197 13.926 -1.601 96 HG LEU 12 HG LEU 12 -3.966 15.339 -0.216 97 1HD1 LEU 12 1HD1 LEU 12 -1.719 14.547 -0.121 98 2HD1 LEU 12 2HD1 LEU 12 -2.703 13.196 -0.718 99 3HD1 LEU 12 3HD1 LEU 12 -1.693 14.151 -1.838 100 1HD2 LEU 12 1HD2 LEU 12 -3.701 17.217 -1.812 101 2HD2 LEU 12 2HD2 LEU 12 -2.258 16.875 -0.862 102 3HD2 LEU 12 3HD2 LEU 12 -2.325 16.364 -2.559 103 H ALA 13 H ALA 13 -5.465 11.953 -3.010 104 HA ALA 13 HA ALA 13 -3.262 10.426 -1.973 105 1HB ALA 13 1HB ALA 13 -4.956 8.563 -1.911 106 2HB ALA 13 2HB ALA 13 -5.637 10.067 -1.251 107 3HB ALA 13 3HB ALA 13 -6.053 9.540 -2.900 108 H ALA 14 H ALA 14 -4.726 10.684 -5.198 109 HA ALA 14 HA ALA 14 -3.253 8.312 -6.169 110 1HB ALA 14 1HB ALA 14 -4.071 8.963 -8.377 111 2HB ALA 14 2HB ALA 14 -5.376 8.842 -7.182 112 3HB ALA 14 3HB ALA 14 -4.773 10.450 -7.685 113 H LYS 15 H LYS 15 -2.795 11.811 -6.026 114 HA LYS 15 HA LYS 15 -0.437 11.980 -7.745 115 1HB LYS 15 1HB LYS 15 -1.808 13.712 -5.707 116 2HB LYS 15 2HB LYS 15 -0.131 14.032 -6.004 117 1HG LYS 15 1HG LYS 15 -1.722 15.399 -7.360 118 2HG LYS 15 2HG LYS 15 -0.511 14.516 -8.290 119 1HD LYS 15 1HD LYS 15 -2.186 12.899 -9.048 120 2HD LYS 15 2HD LYS 15 -3.418 13.672 -8.058 121 1HE LYS 15 1HE LYS 15 -3.608 14.314 -10.408 122 2HE LYS 15 2HE LYS 15 -3.341 15.698 -9.343 123 1HZ LYS 15 1HZ LYS 15 -2.040 15.773 -11.361 124 2HZ LYS 15 2HZ LYS 15 -1.055 15.756 -10.041 125 3HZ LYS 15 3HZ LYS 15 -1.238 14.391 -10.962 126 H LEU 16 H LEU 16 -0.963 11.732 -4.255 127 HA LEU 16 HA LEU 16 1.760 11.532 -3.520 128 1HB LEU 16 1HB LEU 16 -0.246 12.235 -2.145 129 2HB LEU 16 2HB LEU 16 -0.856 10.590 -2.244 130 HG LEU 16 HG LEU 16 1.074 9.776 -0.931 131 1HD1 LEU 16 1HD1 LEU 16 2.701 11.558 -1.557 132 2HD1 LEU 16 2HD1 LEU 16 1.726 12.768 -0.712 133 3HD1 LEU 16 3HD1 LEU 16 2.508 11.446 0.186 134 1HD2 LEU 16 1HD2 LEU 16 0.259 10.683 1.164 135 2HD2 LEU 16 2HD2 LEU 16 -0.360 12.150 0.376 136 3HD2 LEU 16 3HD2 LEU 16 -1.136 10.588 0.079 137 H ALA 17 H ALA 17 -0.717 9.037 -4.338 138 HA ALA 17 HA ALA 17 0.880 6.801 -3.745 139 1HB ALA 17 1HB ALA 17 -0.648 5.555 -5.230 140 2HB ALA 17 2HB ALA 17 -1.532 6.605 -4.124 141 3HB ALA 17 3HB ALA 17 -1.328 7.079 -5.825 142 H ALA 18 H ALA 18 0.993 8.995 -6.590 143 HA ALA 18 HA ALA 18 2.070 7.066 -8.396 144 1HB ALA 18 1HB ALA 18 2.557 10.076 -8.362 145 2HB ALA 18 2HB ALA 18 2.771 8.965 -9.723 146 3HB ALA 18 3HB ALA 18 1.145 9.266 -9.094 147 H GLU 19 H GLU 19 3.624 9.378 -6.184 148 HA GLU 19 HA GLU 19 6.327 8.764 -6.753 149 1HB GLU 19 1HB GLU 19 5.244 9.488 -4.046 150 2HB GLU 19 2HB GLU 19 6.801 9.952 -4.704 151 1HG GLU 19 1HG GLU 19 4.069 11.052 -5.541 152 2HG GLU 19 2HG GLU 19 5.208 11.814 -4.454 153 H ALA 20 H ALA 20 3.941 7.161 -4.706 154 HA ALA 20 HA ALA 20 5.844 5.396 -3.346 155 1HB ALA 20 1HB ALA 20 3.700 5.854 -2.221 156 2HB ALA 20 2HB ALA 20 2.789 5.286 -3.633 157 3HB ALA 20 3HB ALA 20 3.757 4.145 -2.712 158 H ILE 21 H ILE 21 3.475 5.086 -6.009 159 HA ILE 21 HA ILE 21 3.908 2.370 -6.650 160 HB ILE 21 HB ILE 21 2.808 4.866 -8.005 161 1HG1 ILE 21 1HG1 ILE 21 1.441 2.233 -7.364 162 2HG1 ILE 21 2HG1 ILE 21 1.576 3.543 -6.202 163 1HG2 ILE 21 1HG2 ILE 21 1.981 3.632 -9.955 164 2HG2 ILE 21 2HG2 ILE 21 3.732 3.742 -9.923 165 3HG2 ILE 21 3HG2 ILE 21 2.942 2.229 -9.462 166 1HD1 ILE 21 1HD1 ILE 21 0.354 5.037 -7.819 167 2HD1 ILE 21 2HD1 ILE 21 0.042 3.601 -8.825 168 3HD1 ILE 21 3HD1 ILE 21 -0.595 3.684 -7.177 169 H GLU 22 H GLU 22 5.657 5.309 -7.691 170 HA GLU 22 HA GLU 22 7.228 4.065 -9.687 171 1HB GLU 22 1HB GLU 22 6.991 6.530 -9.280 172 2HB GLU 22 2HB GLU 22 7.890 6.349 -7.777 173 1HG GLU 22 1HG GLU 22 9.426 7.174 -9.393 174 2HG GLU 22 2HG GLU 22 9.877 5.497 -9.123 175 H ARG 23 H ARG 23 7.530 4.171 -6.149 176 HA ARG 23 HA ARG 23 10.190 2.899 -6.202 177 1HB ARG 23 1HB ARG 23 9.274 4.913 -4.669 178 2HB ARG 23 2HB ARG 23 8.663 3.594 -3.674 179 1HG ARG 23 1HG ARG 23 10.956 2.630 -3.538 180 2HG ARG 23 2HG ARG 23 11.558 3.925 -4.591 181 1HD ARG 23 1HD ARG 23 10.862 5.601 -2.861 182 2HD ARG 23 2HD ARG 23 10.360 4.273 -1.822 183 HE ARG 23 HE ARG 23 12.591 3.644 -1.470 184 1HH1 ARG 23 2HH2 ARG 23 12.540 6.405 -3.784 185 2HH1 ARG 23 1HH2 ARG 23 14.253 6.631 -3.634 186 1HH2 ARG 23 2HH1 ARG 23 14.841 3.994 -1.402 187 2HH2 ARG 23 1HH1 ARG 23 15.507 5.351 -2.270 188 H ASP 24 H ASP 24 6.845 2.083 -5.646 189 HA ASP 24 HA ASP 24 7.545 -0.534 -4.459 190 1HB ASP 24 1HB ASP 24 6.210 0.988 -3.022 191 2HB ASP 24 2HB ASP 24 4.950 1.003 -4.213 192 HA PRO 25 HA PRO 25 5.796 -1.701 -8.518 193 1HB PRO 25 1HB PRO 25 6.696 -4.310 -8.522 194 2HB PRO 25 2HB PRO 25 7.654 -2.907 -9.085 195 1HG PRO 25 1HG PRO 25 7.732 -4.269 -6.385 196 2HG PRO 25 2HG PRO 25 9.101 -3.760 -7.427 197 1HD PRO 25 1HD PRO 25 8.244 -2.271 -5.322 198 2HD PRO 25 2HD PRO 25 8.832 -1.490 -6.822 199 H TRP 26 H TRP 26 5.378 -2.994 -5.179 200 HA TRP 26 HA TRP 26 3.167 -4.685 -6.005 201 1HB TRP 26 1HB TRP 26 4.318 -5.175 -3.926 202 2HB TRP 26 2HB TRP 26 3.885 -3.591 -3.286 203 HD1 TRP 26 HD TRP 26 2.279 -3.985 -1.491 204 HE1 TRP 26 1HE TRP 26 0.006 -5.163 -1.144 205 HE3 TRP 26 3HE TRP 26 2.107 -6.567 -5.879 206 HZ2 TRP 26 2HZ TRP 26 -1.586 -7.115 -2.613 207 HZ3 TRP 26 3HZ TRP 26 0.472 -8.347 -6.202 208 HH2 TRP 26 HH TRP 26 -1.492 -8.540 -4.659 209 H ALA 27 H ALA 27 3.425 -1.344 -4.598 210 HA ALA 27 HA ALA 27 0.659 -0.813 -4.632 211 1HB ALA 27 1HB ALA 27 1.259 1.577 -4.660 212 2HB ALA 27 2HB ALA 27 2.334 0.706 -3.556 213 3HB ALA 27 3HB ALA 27 2.908 1.173 -5.163 214 H ALA 28 H ALA 28 3.050 -0.617 -7.232 215 HA ALA 28 HA ALA 28 1.349 0.532 -9.234 216 1HB ALA 28 1HB ALA 28 3.919 0.240 -9.292 217 2HB ALA 28 2HB ALA 28 3.638 -1.455 -9.694 218 3HB ALA 28 3HB ALA 28 3.054 -0.191 -10.780 219 H GLN 29 H GLN 29 2.202 -2.852 -8.408 220 HA GLN 29 HA GLN 29 0.657 -4.145 -10.394 221 1HB GLN 29 1HB GLN 29 1.736 -4.964 -7.686 222 2HB GLN 29 2HB GLN 29 0.750 -6.072 -8.613 223 1HG GLN 29 1HG GLN 29 2.320 -6.069 -10.467 224 2HG GLN 29 2HG GLN 29 3.163 -4.689 -9.836 225 1HE2 GLN 29 1HE2 GLN 29 5.168 -5.648 -9.713 226 2HE2 GLN 29 2HE2 GLN 29 5.597 -6.922 -8.579 227 H VAL 30 H VAL 30 -0.196 -3.373 -6.998 228 HA VAL 30 HA VAL 30 -2.843 -4.363 -6.993 229 HB VAL 30 HB VAL 30 -1.544 -2.028 -5.512 230 1HG1 VAL 30 1HG1 VAL 30 -4.250 -3.323 -4.929 231 2HG1 VAL 30 2HG1 VAL 30 -3.377 -2.222 -3.840 232 3HG1 VAL 30 3HG1 VAL 30 -3.968 -1.627 -5.388 233 1HG2 VAL 30 1HG2 VAL 30 -0.618 -4.259 -5.060 234 2HG2 VAL 30 2HG2 VAL 30 -1.523 -3.686 -3.662 235 3HG2 VAL 30 3HG2 VAL 30 -2.228 -4.896 -4.776 236 H SER 31 H SER 31 -1.546 -1.274 -8.196 237 HA SER 31 HA SER 31 -4.151 -0.127 -8.569 238 1HB SER 31 1HB SER 31 -1.373 0.634 -9.548 239 2HB SER 31 2HB SER 31 -2.808 1.662 -9.704 240 HG SER 31 HG SER 31 -1.309 0.912 -7.502 241 H GLN 32 H GLN 32 -2.254 -2.380 -10.458 242 HA GLN 32 HA GLN 32 -3.962 -1.905 -12.826 243 1HB GLN 32 1HB GLN 32 -1.620 -2.416 -13.273 244 2HB GLN 32 2HB GLN 32 -1.720 -3.918 -12.331 245 1HG GLN 32 1HG GLN 32 -3.274 -4.896 -13.885 246 2HG GLN 32 2HG GLN 32 -3.561 -3.347 -14.680 247 1HE2 GLN 32 1HE2 GLN 32 -0.300 -4.741 -13.884 248 2HE2 GLN 32 2HE2 GLN 32 0.093 -5.091 -15.544 249 H LEU 33 H LEU 33 -3.481 -4.147 -10.086 250 HA LEU 33 HA LEU 33 -5.162 -6.282 -10.918 251 1HB LEU 33 1HB LEU 33 -4.630 -5.229 -8.094 252 2HB LEU 33 2HB LEU 33 -5.506 -6.702 -8.464 253 HG LEU 33 HG LEU 33 -2.553 -6.197 -8.766 254 1HD1 LEU 33 1HD1 LEU 33 -4.138 -8.367 -7.364 255 2HD1 LEU 33 2HD1 LEU 33 -2.369 -8.187 -7.394 256 3HD1 LEU 33 3HD1 LEU 33 -3.354 -6.968 -6.586 257 1HD2 LEU 33 1HD2 LEU 33 -2.537 -8.525 -9.784 258 2HD2 LEU 33 2HD2 LEU 33 -4.263 -8.297 -10.108 259 3HD2 LEU 33 3HD2 LEU 33 -3.090 -7.184 -10.817 260 H SER 34 H SER 34 -5.885 -3.251 -9.489 261 HA SER 34 HA SER 34 -7.867 -2.117 -9.045 262 1HB SER 34 1HB SER 34 -8.800 -3.637 -11.516 263 2HB SER 34 2HB SER 34 -9.372 -2.060 -10.939 264 HG SER 34 HG SER 34 -6.839 -2.776 -12.008 265 H LEU 35 H LEU 35 -7.741 -3.976 -7.222 266 HA LEU 35 HA LEU 35 -9.809 -5.991 -7.206 267 1HB LEU 35 1HB LEU 35 -8.377 -4.543 -4.946 268 2HB LEU 35 2HB LEU 35 -9.532 -5.835 -4.698 269 HG LEU 35 HG LEU 35 -7.597 -6.943 -4.409 270 1HD1 LEU 35 1HD1 LEU 35 -8.887 -8.128 -6.174 271 2HD1 LEU 35 2HD1 LEU 35 -7.900 -7.320 -7.414 272 3HD1 LEU 35 3HD1 LEU 35 -7.146 -8.437 -6.266 273 1HD2 LEU 35 1HD2 LEU 35 -6.067 -5.148 -4.903 274 2HD2 LEU 35 2HD2 LEU 35 -5.518 -6.649 -5.667 275 3HD2 LEU 35 3HD2 LEU 35 -6.306 -5.380 -6.638 276 HA PRO 36 HA PRO 36 -13.301 -3.529 -6.914 277 1HB PRO 36 1HB PRO 36 -15.024 -4.821 -5.191 278 2HB PRO 36 2HB PRO 36 -14.628 -5.335 -6.850 279 1HG PRO 36 1HG PRO 36 -13.358 -6.337 -4.289 280 2HG PRO 36 2HG PRO 36 -14.001 -7.290 -5.666 281 1HD PRO 36 1HD PRO 36 -11.367 -6.753 -5.486 282 2HD PRO 36 2HD PRO 36 -12.171 -6.625 -7.065 283 H LYS 37 H LYS 37 -13.474 -4.393 -3.421 284 HA LYS 37 HA LYS 37 -12.209 -1.849 -2.682 285 1HB LYS 37 1HB LYS 37 -14.591 -1.241 -3.125 286 2HB LYS 37 2HB LYS 37 -15.124 -2.433 -1.971 287 1HG LYS 37 1HG LYS 37 -15.172 -0.157 -1.047 288 2HG LYS 37 2HG LYS 37 -14.115 -1.221 -0.118 289 1HD LYS 37 1HD LYS 37 -12.138 -0.202 -1.298 290 2HD LYS 37 2HD LYS 37 -13.228 0.898 -2.138 291 1HE LYS 37 1HE LYS 37 -12.936 0.656 0.904 292 2HE LYS 37 2HE LYS 37 -12.077 1.831 -0.086 293 1HZ LYS 37 1HZ LYS 37 -14.259 2.686 -0.789 294 2HZ LYS 37 2HZ LYS 37 -14.975 1.704 0.370 295 3HZ LYS 37 3HZ LYS 37 -13.944 2.900 0.799 296 H LEU 38 H LEU 38 -14.197 -4.563 -1.569 297 HA LEU 38 HA LEU 38 -13.123 -4.797 1.062 298 1HB LEU 38 1HB LEU 38 -15.233 -5.831 0.210 299 2HB LEU 38 2HB LEU 38 -14.300 -6.955 -0.763 300 HG LEU 38 HG LEU 38 -15.291 -7.854 1.330 301 1HD1 LEU 38 1HD1 LEU 38 -13.436 -9.236 2.006 302 2HD1 LEU 38 2HD1 LEU 38 -13.430 -9.032 0.254 303 3HD1 LEU 38 3HD1 LEU 38 -12.264 -8.146 1.260 304 1HD2 LEU 38 1HD2 LEU 38 -14.863 -5.858 2.764 305 2HD2 LEU 38 2HD2 LEU 38 -14.381 -7.394 3.488 306 3HD2 LEU 38 3HD2 LEU 38 -13.151 -6.297 2.822 307 H VAL 39 H VAL 39 -12.359 -6.663 -1.928 308 HA VAL 39 HA VAL 39 -10.108 -7.941 -0.650 309 HB VAL 39 HB VAL 39 -10.682 -7.764 -3.629 310 1HG1 VAL 39 1HG1 VAL 39 -8.400 -8.629 -3.134 311 2HG1 VAL 39 2HG1 VAL 39 -9.086 -9.811 -2.012 312 3HG1 VAL 39 3HG1 VAL 39 -9.441 -9.910 -3.749 313 1HG2 VAL 39 1HG2 VAL 39 -11.593 -9.774 -1.521 314 2HG2 VAL 39 2HG2 VAL 39 -12.643 -8.701 -2.475 315 3HG2 VAL 39 3HG2 VAL 39 -11.754 -10.003 -3.268 316 H GLU 40 H GLU 40 -10.446 -4.857 -2.281 317 HA GLU 40 HA GLU 40 -7.654 -4.395 -2.845 318 1HB GLU 40 1HB GLU 40 -9.497 -2.939 -3.749 319 2HB GLU 40 2HB GLU 40 -9.844 -2.410 -2.103 320 1HG GLU 40 1HG GLU 40 -7.467 -1.574 -1.935 321 2HG GLU 40 2HG GLU 40 -7.256 -1.957 -3.642 322 H GLN 41 H GLN 41 -9.715 -4.025 0.067 323 HA GLN 41 HA GLN 41 -7.850 -2.639 1.629 324 1HB GLN 41 1HB GLN 41 -10.410 -3.289 1.956 325 2HB GLN 41 2HB GLN 41 -9.749 -4.629 2.869 326 1HG GLN 41 1HG GLN 41 -8.789 -3.210 4.505 327 2HG GLN 41 2HG GLN 41 -8.869 -1.789 3.448 328 1HE2 GLN 41 1HE2 GLN 41 -10.603 -3.574 5.865 329 2HE2 GLN 41 2HE2 GLN 41 -12.062 -2.638 5.828 330 H VAL 42 H VAL 42 -7.987 -6.093 0.845 331 HA VAL 42 HA VAL 42 -6.117 -6.936 2.914 332 HB VAL 42 HB VAL 42 -7.020 -8.264 0.314 333 1HG1 VAL 42 1HG1 VAL 42 -6.182 -10.358 1.187 334 2HG1 VAL 42 2HG1 VAL 42 -4.847 -9.211 1.042 335 3HG1 VAL 42 3HG1 VAL 42 -5.554 -9.552 2.637 336 1HG2 VAL 42 1HG2 VAL 42 -8.255 -9.699 2.114 337 2HG2 VAL 42 2HG2 VAL 42 -7.960 -8.328 3.192 338 3HG2 VAL 42 3HG2 VAL 42 -8.882 -8.098 1.685 339 H ALA 43 H ALA 43 -5.889 -6.333 -0.635 340 HA ALA 43 HA ALA 43 -3.099 -6.705 -0.837 341 1HB ALA 43 1HB ALA 43 -4.944 -4.888 -2.460 342 2HB ALA 43 2HB ALA 43 -3.332 -5.440 -2.940 343 3HB ALA 43 3HB ALA 43 -4.647 -6.618 -2.771 344 H LEU 44 H LEU 44 -4.987 -3.874 0.065 345 HA LEU 44 HA LEU 44 -2.811 -2.005 0.239 346 1HB LEU 44 1HB LEU 44 -5.660 -2.089 1.249 347 2HB LEU 44 2HB LEU 44 -4.593 -0.799 1.707 348 HG LEU 44 HG LEU 44 -5.387 -1.471 -1.143 349 1HD1 LEU 44 1HD1 LEU 44 -7.179 -0.446 0.244 350 2HD1 LEU 44 2HD1 LEU 44 -6.088 0.896 0.663 351 3HD1 LEU 44 3HD1 LEU 44 -6.618 0.663 -1.015 352 1HD2 LEU 44 1HD2 LEU 44 -3.595 0.777 -0.135 353 2HD2 LEU 44 2HD2 LEU 44 -3.174 -0.517 -1.279 354 3HD2 LEU 44 3HD2 LEU 44 -4.329 0.706 -1.749 355 H ASN 45 H ASN 45 -4.345 -4.188 2.689 356 HA ASN 45 HA ASN 45 -2.685 -2.867 4.769 357 1HB ASN 45 1HB ASN 45 -4.947 -4.874 4.884 358 2HB ASN 45 2HB ASN 45 -3.877 -4.614 6.253 359 1HD2 ASN 45 1HD2 ASN 45 -6.205 -2.973 4.165 360 2HD2 ASN 45 2HD2 ASN 45 -6.467 -1.588 5.257 361 H ALA 46 H ALA 46 -1.750 -4.923 2.438 362 HA ALA 46 HA ALA 46 0.016 -6.382 4.268 363 1HB ALA 46 1HB ALA 46 -1.404 -7.421 1.774 364 2HB ALA 46 2HB ALA 46 -0.105 -8.287 2.637 365 3HB ALA 46 3HB ALA 46 -1.667 -7.998 3.416 366 H TRP 47 H TRP 47 2.030 -6.838 3.457 367 HA TRP 47 HA TRP 47 2.904 -5.174 1.136 368 1HB TRP 47 1HB TRP 47 5.097 -5.170 2.121 369 2HB TRP 47 2HB TRP 47 3.943 -4.387 3.170 370 HD1 TRP 47 HD TRP 47 3.555 -5.450 5.588 371 HE1 TRP 47 1HE TRP 47 5.036 -6.991 7.009 372 HE3 TRP 47 3HE TRP 47 6.418 -7.472 1.852 373 HZ2 TRP 47 2HZ TRP 47 7.228 -8.847 6.570 374 HZ3 TRP 47 3HZ TRP 47 8.187 -9.120 2.391 375 HH2 TRP 47 HH TRP 47 8.590 -9.799 4.716 376 H LYS 48 H LYS 48 4.055 -6.240 -0.438 377 HA LYS 48 HA LYS 48 3.412 -9.121 -0.534 378 1HB LYS 48 1HB LYS 48 2.757 -7.469 -2.314 379 2HB LYS 48 2HB LYS 48 4.453 -7.206 -2.654 380 1HG LYS 48 1HG LYS 48 4.492 -9.829 -3.031 381 2HG LYS 48 2HG LYS 48 2.738 -9.629 -3.115 382 1HD LYS 48 1HD LYS 48 3.024 -9.176 -5.305 383 2HD LYS 48 2HD LYS 48 3.679 -7.610 -4.806 384 1HE LYS 48 1HE LYS 48 5.890 -8.267 -4.982 385 2HE LYS 48 2HE LYS 48 5.506 -9.989 -4.965 386 1HZ LYS 48 1HZ LYS 48 6.081 -9.150 -7.180 387 2HZ LYS 48 2HZ LYS 48 4.569 -9.780 -7.167 388 3HZ LYS 48 3HZ LYS 48 4.750 -8.165 -7.161 389 H GLU 49 H GLU 49 4.897 -10.706 -0.385 390 HA GLU 49 HA GLU 49 7.798 -10.081 -0.630 391 1HB GLU 49 1HB GLU 49 7.083 -10.893 1.598 392 2HB GLU 49 2HB GLU 49 6.321 -12.294 0.863 393 1HG GLU 49 1HG GLU 49 8.980 -12.289 -0.142 394 2HG GLU 49 2HG GLU 49 9.123 -11.820 1.550 395 H GLU 50 H GLU 50 8.279 -10.594 -2.747 396 HA GLU 50 HA GLU 50 6.811 -12.791 -4.092 397 1HB GLU 50 1HB GLU 50 7.437 -10.636 -5.221 398 2HB GLU 50 2HB GLU 50 9.122 -11.114 -5.133 399 1HG GLU 50 1HG GLU 50 8.918 -12.577 -6.872 400 2HG GLU 50 2HG GLU 50 7.399 -13.234 -6.269 401 H SER 51 H SER 51 7.591 -14.864 -4.063 402 HA SER 51 HA SER 51 10.196 -15.436 -2.789 403 1HB SER 51 1HB SER 51 7.913 -17.373 -3.023 404 2HB SER 51 2HB SER 51 9.232 -17.356 -1.854 405 HG SER 51 HG SER 51 8.166 -15.531 -0.826 406 H ASP 52 H ASP 52 10.811 -17.763 -3.648 407 HA ASP 52 HA ASP 52 11.890 -17.529 -6.097 408 1HB ASP 52 1HB ASP 52 11.135 -19.931 -4.473 409 2HB ASP 52 2HB ASP 52 11.659 -20.191 -6.142 410 H ASN 53 H ASN 53 8.646 -19.112 -5.671 411 HA ASN 53 HA ASN 53 7.977 -18.091 -8.346 412 1HB ASN 53 1HB ASN 53 8.936 -20.547 -8.445 413 2HB ASN 53 2HB ASN 53 7.346 -21.003 -7.837 414 1HD2 ASN 53 1HD2 ASN 53 5.460 -20.079 -9.149 415 2HD2 ASN 53 2HD2 ASN 53 5.662 -19.889 -10.892 416 H ALA 54 H ALA 54 7.161 -17.288 -5.619 417 HA ALA 54 HA ALA 54 4.284 -17.835 -5.760 418 1HB ALA 54 1HB ALA 54 5.985 -18.425 -3.294 419 2HB ALA 54 2HB ALA 54 4.208 -18.427 -3.345 420 3HB ALA 54 3HB ALA 54 5.129 -19.612 -4.286 421 H VAL 55 H VAL 55 3.194 -16.328 -4.141 422 HA VAL 55 HA VAL 55 4.871 -13.901 -3.626 423 HB VAL 55 HB VAL 55 2.222 -13.749 -5.105 424 1HG1 VAL 55 1HG1 VAL 55 4.439 -11.681 -5.189 425 2HG1 VAL 55 2HG1 VAL 55 2.699 -11.476 -5.464 426 3HG1 VAL 55 3HG1 VAL 55 3.343 -11.720 -3.826 427 1HG2 VAL 55 1HG2 VAL 55 3.865 -14.872 -6.649 428 2HG2 VAL 55 2HG2 VAL 55 3.463 -13.242 -7.179 429 3HG2 VAL 55 3HG2 VAL 55 5.002 -13.572 -6.359 430 H CYS 56 H CYS 56 4.741 -13.868 -1.420 431 HA CYS 56 HA CYS 56 2.185 -14.629 -0.099 432 1HB CYS 56 1HB CYS 56 5.038 -14.322 0.900 433 2HB CYS 56 2HB CYS 56 3.648 -14.497 1.981 434 HG CYS 56 HG CYS 56 4.839 -16.725 1.809 435 H LEU 57 H LEU 57 0.834 -13.041 0.482 436 HA LEU 57 HA LEU 57 1.848 -10.281 0.824 437 1HB LEU 57 1HB LEU 57 -0.835 -11.555 0.383 438 2HB LEU 57 2HB LEU 57 -0.822 -10.051 1.308 439 HG LEU 57 HG LEU 57 0.775 -10.286 -1.235 440 1HD1 LEU 57 1HD1 LEU 57 -0.949 -9.555 -2.596 441 2HD1 LEU 57 2HD1 LEU 57 -1.698 -10.824 -1.654 442 3HD1 LEU 57 3HD1 LEU 57 -2.022 -9.133 -1.229 443 1HD2 LEU 57 1HD2 LEU 57 1.055 -8.359 0.427 444 2HD2 LEU 57 2HD2 LEU 57 0.854 -8.017 -1.288 445 3HD2 LEU 57 3HD2 LEU 57 -0.511 -7.794 -0.180 446 H HIS 58 H HIS 58 2.739 -9.858 2.680 447 HA HIS 58 HA HIS 58 1.980 -11.209 5.200 448 1HB HIS 58 1HB HIS 58 3.956 -9.031 4.456 449 2HB HIS 58 2HB HIS 58 3.721 -9.591 6.101 450 HD1 HIS 58 HD1 HIS 58 5.732 -11.174 6.786 451 HD2 HIS 58 HD2 HIS 58 4.734 -11.265 2.666 452 HE1 HIS 58 HE1 HIS 58 7.348 -12.735 5.692 453 HE2 HIS 58 HE2 HIS 58 6.779 -12.869 3.222 454 H LEU 59 H LEU 59 -0.061 -10.544 5.826 455 HA LEU 59 HA LEU 59 -0.947 -7.763 5.453 456 1HB LEU 59 1HB LEU 59 -2.414 -9.865 5.151 457 2HB LEU 59 2HB LEU 59 -2.323 -10.082 6.897 458 HG LEU 59 HG LEU 59 -3.185 -7.420 6.694 459 1HD1 LEU 59 1HD1 LEU 59 -3.675 -7.648 4.276 460 2HD1 LEU 59 2HD1 LEU 59 -4.630 -9.109 4.613 461 3HD1 LEU 59 3HD1 LEU 59 -5.169 -7.528 5.211 462 1HD2 LEU 59 1HD2 LEU 59 -5.372 -8.402 7.399 463 2HD2 LEU 59 2HD2 LEU 59 -4.743 -10.007 6.958 464 3HD2 LEU 59 3HD2 LEU 59 -3.997 -9.090 8.284 465 H ARG 60 H ARG 60 -1.019 -6.194 7.034 466 HA ARG 60 HA ARG 60 0.242 -6.795 9.587 467 1HB ARG 60 1HB ARG 60 -1.060 -4.331 8.414 468 2HB ARG 60 2HB ARG 60 -0.938 -4.469 10.150 469 1HG ARG 60 1HG ARG 60 1.633 -5.253 9.154 470 2HG ARG 60 2HG ARG 60 1.201 -3.829 8.259 471 1HD ARG 60 1HD ARG 60 0.796 -3.845 11.273 472 2HD ARG 60 2HD ARG 60 2.427 -3.783 10.639 473 HE ARG 60 HE ARG 60 0.900 -1.830 9.257 474 1HH1 ARG 60 2HH2 ARG 60 1.688 -2.375 12.685 475 2HH1 ARG 60 1HH2 ARG 60 2.196 -0.758 12.987 476 1HH2 ARG 60 2HH1 ARG 60 1.591 0.432 9.689 477 2HH2 ARG 60 1HH1 ARG 60 2.132 0.830 11.272 478 H SER 61 H SER 61 -0.631 -7.481 11.375 479 HA SER 61 HA SER 61 -3.163 -8.670 11.315 480 1HB SER 61 1HB SER 61 -1.096 -9.243 12.734 481 2HB SER 61 2HB SER 61 -1.648 -7.975 13.845 482 HG SER 61 HG SER 61 -2.887 -10.438 13.110 483 H SER 62 H SER 62 -2.348 -5.364 11.770 484 HA SER 62 HA SER 62 -4.293 -4.348 13.507 485 1HB SER 62 1HB SER 62 -3.450 -3.025 10.919 486 2HB SER 62 2HB SER 62 -3.778 -2.281 12.494 487 HG SER 62 HG SER 62 -1.860 -3.274 13.276 488 H GLN 63 H GLN 63 -4.516 -5.555 10.227 489 HA GLN 63 HA GLN 63 -7.473 -5.193 10.226 490 1HB GLN 63 1HB GLN 63 -5.516 -4.604 8.064 491 2HB GLN 63 2HB GLN 63 -7.013 -5.357 7.563 492 1HG GLN 63 1HG GLN 63 -7.262 -2.972 7.394 493 2HG GLN 63 2HG GLN 63 -8.351 -3.646 8.576 494 1HE2 GLN 63 1HE2 GLN 63 -4.918 -2.418 8.789 495 2HE2 GLN 63 2HE2 GLN 63 -5.283 -1.404 10.192 496 H ARG 64 H ARG 64 -5.813 -7.528 11.258 497 HA ARG 64 HA ARG 64 -6.102 -9.690 9.423 498 1HB ARG 64 1HB ARG 64 -5.985 -11.172 11.289 499 2HB ARG 64 2HB ARG 64 -4.770 -9.933 11.391 500 1HG ARG 64 1HG ARG 64 -5.371 -9.434 13.475 501 2HG ARG 64 2HG ARG 64 -7.006 -9.032 12.988 502 1HD ARG 64 1HD ARG 64 -6.088 -11.901 13.416 503 2HD ARG 64 2HD ARG 64 -6.576 -10.907 14.758 504 HE ARG 64 HE ARG 64 -8.295 -11.991 12.629 505 1HH1 ARG 64 2HH2 ARG 64 -8.107 -9.970 15.593 506 2HH1 ARG 64 1HH2 ARG 64 -9.837 -9.779 15.672 507 1HH2 ARG 64 2HH1 ARG 64 -10.449 -11.853 12.869 508 2HH2 ARG 64 1HH1 ARG 64 -11.229 -11.076 14.210 509 H HIS 65 H HIS 65 -8.544 -7.991 11.362 510 HA HIS 65 HA HIS 65 -10.546 -10.017 11.202 511 1HB HIS 65 1HB HIS 65 -12.136 -8.310 11.766 512 2HB HIS 65 2HB HIS 65 -10.729 -8.246 12.780 513 HD1 HIS 65 HD1 HIS 65 -12.043 -5.724 13.203 514 HD2 HIS 65 HD2 HIS 65 -9.821 -6.370 9.662 515 HE1 HIS 65 HE1 HIS 65 -11.701 -3.427 12.100 516 HE2 HIS 65 HE2 HIS 65 -10.444 -3.804 9.939 517 H LEU 66 H LEU 66 -9.118 -8.608 8.536 518 HA LEU 66 HA LEU 66 -11.532 -9.099 6.849 519 1HB LEU 66 1HB LEU 66 -9.153 -7.218 6.588 520 2HB LEU 66 2HB LEU 66 -9.841 -7.901 5.164 521 HG LEU 66 HG LEU 66 -10.798 -5.783 5.354 522 1HD1 LEU 66 1HD1 LEU 66 -13.158 -6.145 5.439 523 2HD1 LEU 66 2HD1 LEU 66 -12.444 -7.655 4.831 524 3HD1 LEU 66 3HD1 LEU 66 -13.003 -7.551 6.502 525 1HD2 LEU 66 1HD2 LEU 66 -11.640 -6.400 8.187 526 2HD2 LEU 66 2HD2 LEU 66 -10.265 -5.356 7.692 527 3HD2 LEU 66 3HD2 LEU 66 -11.929 -4.906 7.296 528 H ASN 67 H ASN 67 -8.743 -10.589 7.959 529 HA ASN 67 HA ASN 67 -7.607 -11.535 5.462 530 1HB ASN 67 1HB ASN 67 -6.381 -11.181 7.682 531 2HB ASN 67 2HB ASN 67 -7.220 -12.578 8.322 532 1HD2 ASN 67 1HD2 ASN 67 -4.477 -12.783 8.407 533 2HD2 ASN 67 2HD2 ASN 67 -3.911 -13.766 7.074 534 H ASN 68 H ASN 68 -9.203 -12.693 4.260 535 HA ASN 68 HA ASN 68 -10.041 -15.212 5.541 536 1HB ASN 68 1HB ASN 68 -12.273 -15.100 5.020 537 2HB ASN 68 2HB ASN 68 -11.954 -13.496 5.659 538 1HD2 ASN 68 1HD2 ASN 68 -12.225 -11.662 4.159 539 2HD2 ASN 68 2HD2 ASN 68 -12.853 -11.957 2.533 540 H ARG 69 H ARG 69 -10.570 -16.904 4.106 541 HA ARG 69 HA ARG 69 -8.574 -17.124 2.073 542 1HB ARG 69 1HB ARG 69 -10.933 -18.886 2.814 543 2HB ARG 69 2HB ARG 69 -9.646 -19.372 1.708 544 1HG ARG 69 1HG ARG 69 -7.986 -19.363 3.438 545 2HG ARG 69 2HG ARG 69 -8.962 -18.373 4.493 546 1HD ARG 69 1HD ARG 69 -9.370 -20.231 5.605 547 2HD ARG 69 2HD ARG 69 -10.620 -20.482 4.406 548 HE ARG 69 HE ARG 69 -9.435 -22.264 3.534 549 1HH1 ARG 69 2HH2 ARG 69 -7.153 -20.457 5.619 550 2HH1 ARG 69 1HH2 ARG 69 -6.091 -21.794 5.819 551 1HH2 ARG 69 2HH1 ARG 69 -8.137 -24.031 3.941 552 2HH2 ARG 69 1HH1 ARG 69 -6.757 -23.942 4.996 553 H GLY 70 H GLY 70 -12.081 -16.420 1.855 554 1HA GLY 70 1HA GLY 70 -12.258 -16.645 -0.989 555 2HA GLY 70 2HA GLY 70 -13.316 -15.702 0.072 556 H ALA 71 H ALA 71 -11.183 -13.938 1.216 557 HA ALA 71 HA ALA 71 -10.997 -12.007 -0.898 558 1HB ALA 71 1HB ALA 71 -10.926 -11.296 1.447 559 2HB ALA 71 2HB ALA 71 -9.382 -12.151 1.688 560 3HB ALA 71 3HB ALA 71 -9.483 -10.783 0.568 561 H GLN 72 H GLN 72 -8.605 -14.281 0.537 562 HA GLN 72 HA GLN 72 -6.430 -13.761 -1.149 563 1HB GLN 72 1HB GLN 72 -6.346 -15.304 0.831 564 2HB GLN 72 2HB GLN 72 -7.416 -16.401 0.003 565 1HG GLN 72 1HG GLN 72 -5.591 -16.649 -1.810 566 2HG GLN 72 2HG GLN 72 -4.521 -15.846 -0.673 567 1HE2 GLN 72 1HE2 GLN 72 -3.347 -18.025 -0.960 568 2HE2 GLN 72 2HE2 GLN 72 -3.810 -19.324 0.092 569 H GLN 73 H GLN 73 -9.243 -15.921 -1.757 570 HA GLN 73 HA GLN 73 -8.252 -17.167 -4.036 571 1HB GLN 73 1HB GLN 73 -10.246 -17.818 -2.661 572 2HB GLN 73 2HB GLN 73 -11.097 -16.406 -3.276 573 1HG GLN 73 1HG GLN 73 -10.883 -17.398 -5.608 574 2HG GLN 73 2HG GLN 73 -10.275 -18.871 -4.829 575 1HE2 GLN 73 1HE2 GLN 73 -12.330 -19.596 -6.100 576 2HE2 GLN 73 2HE2 GLN 73 -13.867 -19.503 -5.250 577 H LYS 74 H LYS 74 -10.280 -14.281 -3.764 578 HA LYS 74 HA LYS 74 -10.243 -13.912 -6.677 579 1HB LYS 74 1HB LYS 74 -12.150 -13.172 -5.324 580 2HB LYS 74 2HB LYS 74 -11.147 -11.911 -4.570 581 1HG LYS 74 1HG LYS 74 -11.001 -10.667 -6.544 582 2HG LYS 74 2HG LYS 74 -11.207 -12.077 -7.578 583 1HD LYS 74 1HD LYS 74 -13.113 -10.771 -7.880 584 2HD LYS 74 2HD LYS 74 -13.625 -12.188 -6.986 585 1HE LYS 74 1HE LYS 74 -12.896 -9.616 -5.525 586 2HE LYS 74 2HE LYS 74 -14.441 -9.751 -6.361 587 1HZ LYS 74 1HZ LYS 74 -14.829 -10.379 -4.195 588 2HZ LYS 74 2HZ LYS 74 -14.860 -11.791 -5.043 589 3HZ LYS 74 3HZ LYS 74 -13.577 -11.451 -4.103 590 H LEU 75 H LEU 75 -8.289 -12.637 -3.961 591 HA LEU 75 HA LEU 75 -6.867 -10.702 -5.530 592 1HB LEU 75 1HB LEU 75 -6.977 -11.319 -2.878 593 2HB LEU 75 2HB LEU 75 -5.595 -12.202 -3.249 594 HG LEU 75 HG LEU 75 -6.108 -9.216 -3.505 595 1HD1 LEU 75 1HD1 LEU 75 -5.770 -10.121 -1.235 596 2HD1 LEU 75 2HD1 LEU 75 -4.208 -10.795 -1.710 597 3HD1 LEU 75 3HD1 LEU 75 -4.449 -9.038 -1.684 598 1HD2 LEU 75 1HD2 LEU 75 -3.473 -10.542 -4.232 599 2HD2 LEU 75 2HD2 LEU 75 -4.589 -9.737 -5.350 600 3HD2 LEU 75 3HD2 LEU 75 -3.785 -8.803 -4.088 601 H ALA 76 H ALA 76 -6.589 -14.255 -5.103 602 HA ALA 76 HA ALA 76 -3.981 -14.512 -6.223 603 1HB ALA 76 1HB ALA 76 -4.466 -16.903 -6.220 604 2HB ALA 76 2HB ALA 76 -5.002 -16.186 -4.688 605 3HB ALA 76 3HB ALA 76 -6.185 -16.598 -5.944 606 H GLU 77 H GLU 77 -7.254 -14.957 -7.565 607 HA GLU 77 HA GLU 77 -6.482 -15.681 -10.204 608 1HB GLU 77 1HB GLU 77 -8.745 -15.808 -9.249 609 2HB GLU 77 2HB GLU 77 -8.861 -14.055 -9.143 610 1HG GLU 77 1HG GLU 77 -8.998 -13.775 -11.486 611 2HG GLU 77 2HG GLU 77 -8.338 -15.379 -11.815 612 H ALA 78 H ALA 78 -6.751 -12.526 -8.599 613 HA ALA 78 HA ALA 78 -6.275 -10.936 -10.969 614 1HB ALA 78 1HB ALA 78 -7.382 -10.168 -8.776 615 2HB ALA 78 2HB ALA 78 -5.749 -10.090 -8.087 616 3HB ALA 78 3HB ALA 78 -6.190 -9.075 -9.476 617 H LEU 79 H LEU 79 -4.086 -11.979 -8.264 618 HA LEU 79 HA LEU 79 -1.744 -10.904 -9.469 619 1HB LEU 79 1HB LEU 79 -2.356 -12.637 -7.190 620 2HB LEU 79 2HB LEU 79 -0.914 -13.209 -8.017 621 HG LEU 79 HG LEU 79 -1.345 -10.318 -7.273 622 1HD1 LEU 79 1HD1 LEU 79 0.054 -12.476 -5.659 623 2HD1 LEU 79 2HD1 LEU 79 0.155 -10.721 -5.323 624 3HD1 LEU 79 3HD1 LEU 79 -1.402 -11.546 -5.212 625 1HD2 LEU 79 1HD2 LEU 79 0.509 -10.840 -8.995 626 2HD2 LEU 79 2HD2 LEU 79 1.102 -10.057 -7.534 627 3HD2 LEU 79 3HD2 LEU 79 1.314 -11.792 -7.751 628 H SER 80 H SER 80 -3.322 -14.030 -9.911 629 HA SER 80 HA SER 80 -1.277 -15.314 -11.480 630 1HB SER 80 1HB SER 80 -4.310 -15.651 -11.481 631 2HB SER 80 2HB SER 80 -3.178 -16.768 -12.229 632 HG SER 80 HG SER 80 -3.433 -16.074 -9.493 633 H MET 81 H MET 81 -4.044 -13.166 -12.276 634 HA MET 81 HA MET 81 -3.755 -13.368 -15.111 635 1HB MET 81 1HB MET 81 -5.755 -12.420 -13.557 636 2HB MET 81 2HB MET 81 -4.902 -10.895 -13.785 637 1HG MET 81 1HG MET 81 -6.324 -10.926 -15.603 638 2HG MET 81 2HG MET 81 -4.870 -11.610 -16.306 639 1HE MET 81 1HE MET 81 -8.901 -13.633 -15.442 640 2HE MET 81 2HE MET 81 -8.009 -12.828 -14.136 641 3HE MET 81 3HE MET 81 -8.551 -11.903 -15.555 642 H LEU 82 H LEU 82 -2.698 -11.017 -12.641 643 HA LEU 82 HA LEU 82 -1.535 -9.074 -14.338 644 1HB LEU 82 1HB LEU 82 -2.001 -8.525 -12.126 645 2HB LEU 82 2HB LEU 82 -1.228 -9.972 -11.482 646 HG LEU 82 HG LEU 82 1.018 -9.012 -12.094 647 1HD1 LEU 82 1HD1 LEU 82 -0.607 -6.463 -12.533 648 2HD1 LEU 82 2HD1 LEU 82 1.173 -6.584 -12.493 649 3HD1 LEU 82 3HD1 LEU 82 0.269 -7.357 -13.797 650 1HD2 LEU 82 1HD2 LEU 82 -0.474 -7.181 -10.216 651 2HD2 LEU 82 2HD2 LEU 82 -0.209 -8.886 -9.824 652 3HD2 LEU 82 3HD2 LEU 82 1.176 -7.868 -10.097 653 H LYS 83 H LYS 83 -0.038 -11.885 -12.648 654 HA LYS 83 HA LYS 83 2.542 -11.219 -13.770 655 1HB LYS 83 1HB LYS 83 1.914 -12.563 -11.570 656 2HB LYS 83 2HB LYS 83 1.958 -13.968 -12.653 657 1HG LYS 83 1HG LYS 83 4.249 -13.362 -13.343 658 2HG LYS 83 2HG LYS 83 4.153 -11.862 -12.404 659 1HD LYS 83 1HD LYS 83 4.020 -13.199 -10.306 660 2HD LYS 83 2HD LYS 83 4.246 -14.681 -11.275 661 1HE LYS 83 1HE LYS 83 6.362 -13.792 -12.174 662 2HE LYS 83 2HE LYS 83 6.150 -12.286 -11.279 663 1HZ LYS 83 1HZ LYS 83 6.513 -14.949 -10.054 664 2HZ LYS 83 2HZ LYS 83 7.659 -13.773 -10.177 665 3HZ LYS 83 3HZ LYS 83 6.373 -13.482 -9.241 666 H GLY 84 H GLY 84 -0.200 -12.995 -15.034 667 1HA GLY 84 1HA GLY 84 -0.473 -14.081 -17.031 668 2HA GLY 84 2HA GLY 84 1.085 -13.425 -17.567 669 H SER 85 H SER 85 0.841 -15.291 -14.574 670 HA SER 85 HA SER 85 1.629 -17.799 -15.793 671 1HB SER 85 1HB SER 85 3.616 -18.073 -14.378 672 2HB SER 85 2HB SER 85 3.810 -16.676 -15.437 673 HG SER 85 HG SER 85 3.299 -16.764 -12.666 674 H THR 86 H THR 86 1.815 -19.415 -13.790 675 HA THR 86 HA THR 86 -0.586 -19.072 -12.148 676 HB THR 86 HB THR 86 1.614 -21.193 -12.341 677 HG1 THR 86 1HG THR 86 0.243 -22.164 -13.698 678 1HG2 THR 86 1HG2 THR 86 -1.129 -21.387 -11.024 679 2HG2 THR 86 2HG2 THR 86 0.019 -22.718 -11.249 680 3HG2 THR 86 3HG2 THR 86 0.435 -21.383 -10.163 681 H VAL 87 H VAL 87 -0.498 -18.589 -9.875 682 HA VAL 87 HA VAL 87 2.118 -17.762 -8.745 683 HB VAL 87 HB VAL 87 -0.405 -16.075 -8.973 684 1HG1 VAL 87 1HG1 VAL 87 2.054 -15.743 -7.280 685 2HG1 VAL 87 2HG1 VAL 87 1.096 -14.330 -7.771 686 3HG1 VAL 87 3HG1 VAL 87 0.356 -15.611 -6.801 687 1HG2 VAL 87 1HG2 VAL 87 2.419 -15.619 -10.021 688 2HG2 VAL 87 2HG2 VAL 87 0.976 -15.934 -11.003 689 3HG2 VAL 87 3HG2 VAL 87 1.094 -14.429 -10.099 690 H GLU 88 H GLU 88 2.296 -18.494 -6.702 691 HA GLU 88 HA GLU 88 -0.105 -19.641 -5.363 692 1HB GLU 88 1HB GLU 88 2.859 -20.045 -5.089 693 2HB GLU 88 2HB GLU 88 1.857 -20.191 -3.641 694 1HG GLU 88 1HG GLU 88 2.195 -22.366 -4.719 695 2HG GLU 88 2HG GLU 88 0.504 -21.907 -4.615 696 H LEU 89 H LEU 89 -1.120 -17.676 -5.108 697 HA LEU 89 HA LEU 89 0.158 -15.569 -3.526 698 1HB LEU 89 1HB LEU 89 -1.407 -14.714 -5.040 699 2HB LEU 89 2HB LEU 89 -2.624 -15.925 -4.609 700 HG LEU 89 HG LEU 89 -2.991 -14.920 -2.415 701 1HD1 LEU 89 1HD1 LEU 89 -0.613 -13.946 -2.049 702 2HD1 LEU 89 2HD1 LEU 89 -1.199 -12.610 -3.075 703 3HD1 LEU 89 3HD1 LEU 89 -2.011 -13.007 -1.560 704 1HD2 LEU 89 1HD2 LEU 89 -3.046 -13.081 -4.805 705 2HD2 LEU 89 2HD2 LEU 89 -4.341 -13.921 -3.892 706 3HD2 LEU 89 3HD2 LEU 89 -3.538 -12.508 -3.211 707 H THR 90 H THR 90 0.480 -15.890 -1.431 708 HA THR 90 HA THR 90 -1.484 -17.478 0.176 709 HB THR 90 HB THR 90 1.393 -16.968 0.878 710 HG1 THR 90 1HG THR 90 1.416 -18.079 -1.099 711 1HG2 THR 90 1HG2 THR 90 -0.420 -19.245 1.725 712 2HG2 THR 90 2HG2 THR 90 1.257 -18.980 2.235 713 3HG2 THR 90 3HG2 THR 90 0.009 -17.823 2.708 714 H ILE 91 H ILE 91 -1.889 -16.470 2.272 715 HA ILE 91 HA ILE 91 -1.172 -13.549 2.421 716 HB ILE 91 HB ILE 91 -3.599 -14.702 3.826 717 1HG1 ILE 91 1HG1 ILE 91 -4.036 -15.061 1.431 718 2HG1 ILE 91 2HG1 ILE 91 -5.129 -13.932 2.217 719 1HG2 ILE 91 1HG2 ILE 91 -4.263 -12.284 3.841 720 2HG2 ILE 91 2HG2 ILE 91 -2.723 -12.580 4.670 721 3HG2 ILE 91 3HG2 ILE 91 -2.726 -11.876 3.050 722 1HD1 ILE 91 1HD1 ILE 91 -2.758 -13.024 0.563 723 2HD1 ILE 91 2HD1 ILE 91 -4.403 -13.241 -0.087 724 3HD1 ILE 91 3HD1 ILE 91 -4.104 -12.030 1.170 725 H VAL 92 H VAL 92 0.340 -13.416 3.992 726 HA VAL 92 HA VAL 92 0.300 -15.354 6.248 727 HB VAL 92 HB VAL 92 2.653 -15.123 6.527 728 1HG1 VAL 92 1HG1 VAL 92 2.047 -15.904 3.639 729 2HG1 VAL 92 2HG1 VAL 92 3.416 -16.439 4.629 730 3HG1 VAL 92 3HG1 VAL 92 1.777 -16.936 5.063 731 1HG2 VAL 92 1HG2 VAL 92 2.612 -13.365 4.036 732 2HG2 VAL 92 2HG2 VAL 92 3.144 -12.949 5.694 733 3HG2 VAL 92 3HG2 VAL 92 4.070 -14.097 4.732 734 H GLU 93 H GLU 93 1.250 -13.983 8.334 735 HA GLU 93 HA GLU 93 -0.057 -11.324 8.153 736 1HB GLU 93 1HB GLU 93 -1.652 -13.112 8.862 737 2HB GLU 93 2HB GLU 93 -0.673 -13.357 10.305 738 1HG GLU 93 1HG GLU 93 -1.053 -10.967 10.932 739 2HG GLU 93 2HG GLU 93 -1.985 -10.731 9.444 740 H ASP 94 H ASP 94 1.390 -9.864 8.722 741 HA ASP 94 HA ASP 94 3.394 -10.516 10.810 742 1HB ASP 94 1HB ASP 94 4.547 -10.553 8.622 743 2HB ASP 94 2HB ASP 94 3.985 -8.909 8.297 744 H ASP 95 H ASP 95 2.508 -9.405 12.416 745 HA ASP 95 HA ASP 95 1.087 -6.879 12.195 746 1HB ASP 95 1HB ASP 95 0.641 -8.331 14.082 747 2HB ASP 95 2HB ASP 95 2.356 -8.490 14.448 748 H ASN 96 H ASN 96 4.546 -7.690 12.275 749 HA ASN 96 HA ASN 96 5.241 -5.143 13.515 750 1HB ASN 96 1HB ASN 96 6.674 -7.045 13.933 751 2HB ASN 96 2HB ASN 96 6.929 -7.293 12.197 752 1HD2 ASN 96 1HD2 ASN 96 8.752 -6.334 11.375 753 2HD2 ASN 96 2HD2 ASN 96 9.482 -4.856 12.021 754 HA PRO 97 HA PRO 97 5.242 -3.222 9.402 755 1HB PRO 97 1HB PRO 97 5.844 -0.669 10.074 756 2HB PRO 97 2HB PRO 97 4.283 -1.424 10.456 757 1HG PRO 97 1HG PRO 97 6.695 -1.126 12.279 758 2HG PRO 97 2HG PRO 97 4.993 -0.677 12.626 759 1HD PRO 97 1HD PRO 97 6.080 -3.070 13.395 760 2HD PRO 97 2HD PRO 97 4.365 -2.925 12.917 761 H ALA 98 H ALA 98 7.110 -4.826 9.278 762 HA ALA 98 HA ALA 98 9.845 -3.736 9.334 763 1HB ALA 98 1HB ALA 98 10.396 -5.907 8.197 764 2HB ALA 98 2HB ALA 98 9.515 -6.159 9.698 765 3HB ALA 98 3HB ALA 98 8.668 -6.299 8.145 766 H VAL 99 H VAL 99 7.267 -3.595 7.201 767 HA VAL 99 HA VAL 99 8.873 -2.596 4.933 768 HB VAL 99 HB VAL 99 6.820 -4.837 4.804 769 1HG1 VAL 99 1HG1 VAL 99 8.542 -3.725 2.576 770 2HG1 VAL 99 2HG1 VAL 99 7.475 -5.117 2.435 771 3HG1 VAL 99 3HG1 VAL 99 6.783 -3.529 2.738 772 1HG2 VAL 99 1HG2 VAL 99 8.677 -6.307 3.988 773 2HG2 VAL 99 2HG2 VAL 99 9.829 -5.059 4.476 774 3HG2 VAL 99 3HG2 VAL 99 8.806 -5.879 5.680 775 H ARG 100 H ARG 100 7.559 -1.184 3.636 776 HA ARG 100 HA ARG 100 5.043 -0.235 4.865 777 1HB ARG 100 1HB ARG 100 6.748 0.678 2.518 778 2HB ARG 100 2HB ARG 100 5.177 1.394 2.873 779 1HG ARG 100 1HG ARG 100 7.460 1.336 4.884 780 2HG ARG 100 2HG ARG 100 7.211 2.647 3.723 781 1HD ARG 100 1HD ARG 100 5.040 3.160 4.692 782 2HD ARG 100 2HD ARG 100 5.138 1.758 5.757 783 HE ARG 100 HE ARG 100 7.211 3.883 5.881 784 1HH1 ARG 100 2HH2 ARG 100 4.902 1.851 7.679 785 2HH1 ARG 100 1HH2 ARG 100 5.120 2.703 9.167 786 1HH2 ARG 100 2HH1 ARG 100 7.575 4.918 7.902 787 2HH2 ARG 100 1HH1 ARG 100 6.714 4.445 9.301 788 H THR 101 H THR 101 3.070 -0.860 4.162 789 HA THR 101 HA THR 101 2.782 -2.776 1.963 790 HB THR 101 HB THR 101 0.482 -2.847 2.689 791 HG1 THR 101 1HG THR 101 -0.476 -1.286 3.740 792 1HG2 THR 101 1HG2 THR 101 2.000 -3.907 4.360 793 2HG2 THR 101 2HG2 THR 101 2.003 -2.396 5.288 794 3HG2 THR 101 3HG2 THR 101 0.494 -3.299 5.053 795 HA PRO 102 HA PRO 102 1.999 0.479 -0.958 796 1HB PRO 102 1HB PRO 102 -0.209 -0.074 -2.434 797 2HB PRO 102 2HB PRO 102 1.274 -1.080 -2.469 798 1HG PRO 102 1HG PRO 102 -1.258 -1.601 -0.994 799 2HG PRO 102 2HG PRO 102 -0.271 -2.741 -1.934 800 1HD PRO 102 1HD PRO 102 -0.180 -2.425 0.823 801 2HD PRO 102 2HD PRO 102 1.190 -3.064 -0.104 802 H LEU 103 H LEU 103 -0.395 -0.073 1.474 803 HA LEU 103 HA LEU 103 -1.870 2.442 1.088 804 1HB LEU 103 1HB LEU 103 -2.871 0.373 2.024 805 2HB LEU 103 2HB LEU 103 -1.829 0.476 3.428 806 HG LEU 103 HG LEU 103 -3.868 2.608 2.641 807 1HD1 LEU 103 1HD1 LEU 103 -5.162 0.695 3.149 808 2HD1 LEU 103 2HD1 LEU 103 -4.070 0.182 4.459 809 3HD1 LEU 103 3HD1 LEU 103 -5.122 1.593 4.654 810 1HD2 LEU 103 1HD2 LEU 103 -2.215 2.160 5.154 811 2HD2 LEU 103 2HD2 LEU 103 -2.261 3.618 4.156 812 3HD2 LEU 103 3HD2 LEU 103 -3.654 3.192 5.113 813 H GLU 104 H GLU 104 0.431 0.987 3.471 814 HA GLU 104 HA GLU 104 0.780 3.353 5.013 815 1HB GLU 104 1HB GLU 104 2.615 0.964 4.615 816 2HB GLU 104 2HB GLU 104 2.809 2.179 5.875 817 1HG GLU 104 1HG GLU 104 0.472 0.273 5.634 818 2HG GLU 104 2HG GLU 104 1.871 0.038 6.656 819 H TRP 105 H TRP 105 2.500 2.076 2.111 820 HA TRP 105 HA TRP 105 4.626 3.891 2.008 821 1HB TRP 105 1HB TRP 105 3.050 2.368 -0.072 822 2HB TRP 105 2HB TRP 105 4.031 3.707 -0.607 823 HD1 TRP 105 HD TRP 105 4.365 0.172 -0.367 824 HE1 TRP 105 1HE TRP 105 6.797 -0.544 -0.467 825 HE3 TRP 105 3HE TRP 105 6.587 4.707 0.563 826 HZ2 TRP 105 2HZ TRP 105 9.405 0.680 -0.240 827 HZ3 TRP 105 3HZ TRP 105 9.057 4.885 0.606 828 HH2 TRP 105 HH TRP 105 10.469 2.888 0.220 829 H ARG 106 H ARG 106 1.317 4.366 0.628 830 HA ARG 106 HA ARG 106 1.818 6.934 -0.466 831 1HB ARG 106 1HB ARG 106 -0.247 5.548 -0.790 832 2HB ARG 106 2HB ARG 106 -0.731 5.935 0.856 833 1HG ARG 106 1HG ARG 106 -0.738 8.360 0.247 834 2HG ARG 106 2HG ARG 106 -0.464 7.916 -1.440 835 1HD ARG 106 1HD ARG 106 -2.874 7.058 0.246 836 2HD ARG 106 2HD ARG 106 -2.831 8.483 -0.775 837 HE ARG 106 HE ARG 106 -2.939 7.230 -2.709 838 1HH1 ARG 106 2HH2 ARG 106 -2.763 4.978 0.129 839 2HH1 ARG 106 1HH2 ARG 106 -2.786 3.587 -0.938 840 1HH2 ARG 106 2HH1 ARG 106 -3.437 5.258 -3.908 841 2HH2 ARG 106 1HH1 ARG 106 -3.112 3.742 -3.101 842 H GLN 107 H GLN 107 0.922 5.998 2.836 843 HA GLN 107 HA GLN 107 0.741 8.721 3.797 844 1HB GLN 107 1HB GLN 107 -0.301 6.630 4.816 845 2HB GLN 107 2HB GLN 107 1.275 6.279 5.531 846 1HG GLN 107 1HG GLN 107 1.212 8.238 6.891 847 2HG GLN 107 2HG GLN 107 -0.031 9.005 5.898 848 1HE2 GLN 107 1HE2 GLN 107 0.364 7.443 8.861 849 2HE2 GLN 107 2HE2 GLN 107 -1.282 6.849 9.044 850 H ALA 108 H ALA 108 3.410 6.275 3.782 851 HA ALA 108 HA ALA 108 5.241 7.893 5.217 852 1HB ALA 108 1HB ALA 108 6.922 6.313 4.406 853 2HB ALA 108 2HB ALA 108 5.453 5.458 4.918 854 3HB ALA 108 3HB ALA 108 5.795 5.687 3.183 855 H ILE 109 H ILE 109 4.462 7.750 1.730 856 HA ILE 109 HA ILE 109 6.626 9.438 0.914 857 HB ILE 109 HB ILE 109 3.843 9.098 -0.275 858 1HG1 ILE 109 1HG1 ILE 109 4.921 7.013 -0.560 859 2HG1 ILE 109 2HG1 ILE 109 5.034 7.833 -2.091 860 1HG2 ILE 109 1HG2 ILE 109 6.198 10.321 -1.760 861 2HG2 ILE 109 2HG2 ILE 109 4.485 10.160 -2.258 862 3HG2 ILE 109 3HG2 ILE 109 4.922 11.281 -1.010 863 1HD1 ILE 109 1HD1 ILE 109 7.264 7.442 -0.057 864 2HD1 ILE 109 2HD1 ILE 109 7.101 6.675 -1.640 865 3HD1 ILE 109 3HD1 ILE 109 7.428 8.414 -1.540 866 H TYR 110 H TYR 110 3.462 10.185 2.427 867 HA TYR 110 HA TYR 110 3.589 12.982 1.758 868 1HB TYR 110 1HB TYR 110 1.560 11.721 2.607 869 2HB TYR 110 2HB TYR 110 2.283 11.733 4.209 870 HD1 TYR 110 HD1 TYR 110 1.760 13.508 5.652 871 HD2 TYR 110 HD2 TYR 110 1.484 14.092 1.395 872 HE1 TYR 110 HE1 TYR 110 0.684 15.714 6.022 873 HE2 TYR 110 HE2 TYR 110 0.485 16.342 1.752 874 HH TYR 110 HH TYR 110 0.283 17.769 5.004 875 H GLU 111 H GLU 111 4.725 11.028 4.475 876 HA GLU 111 HA GLU 111 5.808 13.167 6.010 877 1HB GLU 111 1HB GLU 111 5.155 10.664 6.585 878 2HB GLU 111 2HB GLU 111 6.807 10.302 6.076 879 1HG GLU 111 1HG GLU 111 7.549 12.131 7.698 880 2HG GLU 111 2HG GLU 111 5.888 12.170 8.297 881 H GLU 112 H GLU 112 7.315 10.869 3.603 882 HA GLU 112 HA GLU 112 9.904 11.864 3.853 883 1HB GLU 112 1HB GLU 112 10.427 10.317 2.318 884 2HB GLU 112 2HB GLU 112 8.872 9.714 2.746 885 1HG GLU 112 1HG GLU 112 8.719 9.475 0.538 886 2HG GLU 112 2HG GLU 112 8.061 11.089 0.614 887 H LYS 113 H LYS 113 7.273 12.876 1.693 888 HA LYS 113 HA LYS 113 8.779 14.746 0.162 889 1HB LYS 113 1HB LYS 113 6.720 13.818 -0.643 890 2HB LYS 113 2HB LYS 113 5.797 14.451 0.721 891 1HG LYS 113 1HG LYS 113 7.293 16.468 -0.912 892 2HG LYS 113 2HG LYS 113 5.997 15.650 -1.747 893 1HD LYS 113 1HD LYS 113 5.631 17.060 0.944 894 2HD LYS 113 2HD LYS 113 5.404 17.849 -0.602 895 1HE LYS 113 1HE LYS 113 3.815 15.449 0.417 896 2HE LYS 113 2HE LYS 113 3.277 17.133 0.358 897 1HZ LYS 113 1HZ LYS 113 3.823 16.912 -2.130 898 2HZ LYS 113 2HZ LYS 113 3.698 15.302 -1.900 899 3HZ LYS 113 3HZ LYS 113 2.414 16.308 -1.613 900 H LEU 114 H LEU 114 6.878 15.016 3.138 901 HA LEU 114 HA LEU 114 7.126 17.904 3.410 902 1HB LEU 114 1HB LEU 114 6.330 15.605 5.238 903 2HB LEU 114 2HB LEU 114 6.599 17.194 5.915 904 HG LEU 114 HG LEU 114 4.615 16.645 3.658 905 1HD1 LEU 114 1HD1 LEU 114 3.911 15.478 5.663 906 2HD1 LEU 114 2HD1 LEU 114 4.218 16.907 6.668 907 3HD1 LEU 114 3HD1 LEU 114 2.913 16.930 5.469 908 1HD2 LEU 114 1HD2 LEU 114 5.303 18.991 3.669 909 2HD2 LEU 114 2HD2 LEU 114 3.679 18.852 4.330 910 3HD2 LEU 114 3HD2 LEU 114 5.046 19.092 5.432 911 H ALA 115 H ALA 115 8.926 15.044 4.589 912 HA ALA 115 HA ALA 115 10.875 16.557 6.049 913 1HB ALA 115 1HB ALA 115 12.252 14.510 5.873 914 2HB ALA 115 2HB ALA 115 10.605 14.156 6.426 915 3HB ALA 115 3HB ALA 115 11.071 13.805 4.753 916 H GLN 116 H GLN 116 10.534 15.627 2.590 917 HA GLN 116 HA GLN 116 13.155 16.377 1.800 918 1HB GLN 116 1HB GLN 116 10.665 15.690 0.375 919 2HB GLN 116 2HB GLN 116 11.706 16.801 -0.487 920 1HG GLN 116 1HG GLN 116 12.513 14.059 0.533 921 2HG GLN 116 2HG GLN 116 12.178 14.508 -1.128 922 1HE2 GLN 116 1HE2 GLN 116 14.695 13.331 -0.333 923 2HE2 GLN 116 2HE2 GLN 116 15.928 14.535 -0.563 924 H ALA 117 H ALA 117 10.414 18.348 2.574 925 HA ALA 117 HA ALA 117 11.324 20.701 1.142 926 1HB ALA 117 1HB ALA 117 9.822 21.950 2.593 927 2HB ALA 117 2HB ALA 117 9.014 20.459 2.077 928 3HB ALA 117 3HB ALA 117 9.690 20.582 3.719 929 H ARG 118 H ARG 118 11.985 19.419 4.418 930 HA ARG 118 HA ARG 118 13.890 21.544 5.082 931 1HB ARG 118 1HB ARG 118 12.519 20.453 6.854 932 2HB ARG 118 2HB ARG 118 13.105 18.862 6.356 933 1HG ARG 118 1HG ARG 118 15.448 19.612 6.996 934 2HG ARG 118 2HG ARG 118 14.707 21.070 7.688 935 1HD ARG 118 1HD ARG 118 13.450 19.689 9.271 936 2HD ARG 118 2HD ARG 118 13.961 18.213 8.450 937 HE ARG 118 HE ARG 118 15.814 20.122 9.817 938 1HH1 ARG 118 2HH2 ARG 118 14.948 16.699 9.110 939 2HH1 ARG 118 1HH2 ARG 118 16.476 16.102 9.648 940 1HH2 ARG 118 2HH1 ARG 118 17.820 19.264 10.486 941 2HH2 ARG 118 1HH1 ARG 118 17.978 17.560 10.750 942 H GLU 119 H GLU 119 14.013 18.092 4.199 943 HA GLU 119 HA GLU 119 16.812 17.873 4.330 944 1HB GLU 119 1HB GLU 119 14.700 16.201 3.015 945 2HB GLU 119 2HB GLU 119 16.387 15.810 2.855 946 1HG GLU 119 1HG GLU 119 15.472 16.315 5.666 947 2HG GLU 119 2HG GLU 119 14.677 14.970 4.879 948 H SER 120 H SER 120 14.789 19.305 1.807 949 HA SER 120 HA SER 120 16.585 19.121 -0.338 950 1HB SER 120 1HB SER 120 14.780 21.403 0.574 951 2HB SER 120 2HB SER 120 15.764 21.507 -0.891 952 HG SER 120 HG SER 120 13.871 19.461 -0.322 953 H ILE 121 H ILE 121 16.677 21.297 2.540 954 HA ILE 121 HA ILE 121 19.014 22.756 1.697 955 HB ILE 121 HB ILE 121 17.876 22.301 4.482 956 1HG1 ILE 121 1HG1 ILE 121 17.213 24.591 2.577 957 2HG1 ILE 121 2HG1 ILE 121 16.149 23.219 2.876 958 1HG2 ILE 121 1HG2 ILE 121 20.163 23.291 4.471 959 2HG2 ILE 121 2HG2 ILE 121 19.559 24.621 3.461 960 3HG2 ILE 121 3HG2 ILE 121 18.966 24.395 5.120 961 1HD1 ILE 121 1HD1 ILE 121 16.931 25.318 4.912 962 2HD1 ILE 121 2HD1 ILE 121 15.347 25.021 4.184 963 3HD1 ILE 121 3HD1 ILE 121 16.041 23.818 5.290 964 H ILE 122 H ILE 122 18.442 19.703 3.334 965 HA ILE 122 HA ILE 122 21.058 19.409 4.513 966 HB ILE 122 HB ILE 122 18.883 17.365 4.085 967 1HG1 ILE 122 1HG1 ILE 122 19.724 19.231 6.363 968 2HG1 ILE 122 2HG1 ILE 122 18.203 19.283 5.485 969 1HG2 ILE 122 1HG2 ILE 122 21.112 16.313 4.318 970 2HG2 ILE 122 2HG2 ILE 122 21.381 17.216 5.821 971 3HG2 ILE 122 3HG2 ILE 122 20.084 16.002 5.699 972 1HD1 ILE 122 1HD1 ILE 122 17.851 18.389 7.624 973 2HD1 ILE 122 2HD1 ILE 122 17.613 17.090 6.426 974 3HD1 ILE 122 3HD1 ILE 122 19.105 17.153 7.406 975 H ALA 123 H ALA 123 19.368 17.870 1.731 976 HA ALA 123 HA ALA 123 21.537 16.445 0.670 977 1HB ALA 123 1HB ALA 123 20.100 16.285 -1.337 978 2HB ALA 123 2HB ALA 123 19.166 15.995 0.142 979 3HB ALA 123 3HB ALA 123 19.041 17.559 -0.698 980 H ASP 124 H ASP 124 20.370 19.773 0.061 981 HA ASP 124 HA ASP 124 22.041 20.531 -2.081 982 1HB ASP 124 1HB ASP 124 20.633 21.934 0.180 983 2HB ASP 124 2HB ASP 124 21.929 22.798 -0.543 984 H ASN 125 H ASN 125 22.711 20.183 1.334 985 HA ASN 125 HA ASN 125 24.494 20.293 2.653 986 1HB ASN 125 1HB ASN 125 25.034 18.313 1.392 987 2HB ASN 125 2HB ASN 125 25.875 19.260 0.165 988 1HD2 ASN 125 1HD2 ASN 125 28.072 19.118 0.436 989 2HD2 ASN 125 2HD2 ASN 125 28.908 18.887 1.951 990 H ASN 126 H ASN 126 26.289 21.343 -0.259 991 HA ASN 126 HA ASN 126 26.664 24.024 0.909 992 1HB ASN 126 1HB ASN 126 28.663 22.817 1.622 993 2HB ASN 126 2HB ASN 126 28.985 22.338 -0.054 994 1HD2 ASN 126 1HD2 ASN 126 30.330 23.785 -1.229 995 2HD2 ASN 126 2HD2 ASN 126 30.589 25.437 -0.728 996 H ILE 127 H ILE 127 25.260 24.840 -0.638 997 HA ILE 127 HA ILE 127 25.529 24.231 -3.458 998 HB ILE 127 HB ILE 127 23.823 25.906 -3.785 999 1HG1 ILE 127 1HG1 ILE 127 24.248 26.677 -0.867 1000 2HG1 ILE 127 2HG1 ILE 127 24.454 27.682 -2.297 1001 1HG2 ILE 127 1HG2 ILE 127 23.136 24.368 -1.270 1002 2HG2 ILE 127 2HG2 ILE 127 22.051 24.795 -2.609 1003 3HG2 ILE 127 3HG2 ILE 127 23.313 23.577 -2.853 1004 1HD1 ILE 127 1HD1 ILE 127 21.831 26.666 -1.148 1005 2HD1 ILE 127 2HD1 ILE 127 22.419 28.332 -1.216 1006 3HD1 ILE 127 3HD1 ILE 127 21.972 27.497 -2.715 1007 H GLN 128 H GLN 128 26.970 26.489 -1.274 1008 HA GLN 128 HA GLN 128 28.387 28.236 -1.444 1009 1HB GLN 128 1HB GLN 128 29.741 26.290 -2.500 1010 2HB GLN 128 2HB GLN 128 29.394 27.051 -4.040 1011 1HG GLN 128 1HG GLN 128 30.499 29.158 -3.180 1012 2HG GLN 128 2HG GLN 128 30.894 28.288 -1.690 1013 1HE2 GLN 128 1HE2 GLN 128 33.057 27.600 -1.730 1014 2HE2 GLN 128 2HE2 GLN 128 33.850 27.016 -3.190 Start of MODEL 5 1 1H MET 1 H MET 1 -24.445 4.187 0.244 2 HA MET 1 HA MET 1 -22.912 2.902 -0.972 3 1HB MET 1 1HB MET 1 -23.229 5.767 -1.919 4 2HB MET 1 2HB MET 1 -22.378 4.542 -2.871 5 1HG MET 1 1HG MET 1 -24.705 4.662 -3.569 6 2HG MET 1 2HG MET 1 -24.327 3.095 -2.873 7 1HE MET 1 1HE MET 1 -26.626 2.135 -2.334 8 2HE MET 1 2HE MET 1 -27.992 3.138 -1.813 9 3HE MET 1 3HE MET 1 -27.200 3.459 -3.372 10 H LYS 2 H LYS 2 -21.086 6.027 -1.061 11 HA LYS 2 HA LYS 2 -19.239 5.121 0.862 12 1HB LYS 2 1HB LYS 2 -17.193 5.358 -0.662 13 2HB LYS 2 2HB LYS 2 -18.044 3.836 -0.581 14 1HG LYS 2 1HG LYS 2 -17.395 4.104 -2.792 15 2HG LYS 2 2HG LYS 2 -19.136 4.357 -2.804 16 1HD LYS 2 1HD LYS 2 -18.883 6.704 -3.189 17 2HD LYS 2 2HD LYS 2 -17.219 6.702 -2.584 18 1HE LYS 2 1HE LYS 2 -16.974 6.943 -4.857 19 2HE LYS 2 2HE LYS 2 -16.605 5.242 -4.579 20 1HZ LYS 2 1HZ LYS 2 -18.026 5.743 -6.508 21 2HZ LYS 2 2HZ LYS 2 -18.800 4.704 -5.458 22 3HZ LYS 2 3HZ LYS 2 -19.199 6.286 -5.520 23 H ALA 3 H ALA 3 -18.772 6.948 1.948 24 HA ALA 3 HA ALA 3 -18.248 9.463 0.676 25 1HB ALA 3 1HB ALA 3 -20.930 9.207 2.135 26 2HB ALA 3 2HB ALA 3 -20.194 10.683 1.461 27 3HB ALA 3 3HB ALA 3 -20.750 9.394 0.392 28 H LEU 4 H LEU 4 -16.400 9.389 2.095 29 HA LEU 4 HA LEU 4 -16.995 10.501 4.683 30 1HB LEU 4 1HB LEU 4 -16.798 7.851 4.933 31 2HB LEU 4 2HB LEU 4 -15.079 8.194 4.896 32 HG LEU 4 HG LEU 4 -15.679 8.223 7.119 33 1HD1 LEU 4 1HD1 LEU 4 -15.390 10.452 8.060 34 2HD1 LEU 4 2HD1 LEU 4 -14.280 10.168 6.721 35 3HD1 LEU 4 3HD1 LEU 4 -15.721 11.187 6.492 36 1HD2 LEU 4 1HD2 LEU 4 -18.125 8.269 6.867 37 2HD2 LEU 4 2HD2 LEU 4 -17.589 9.361 8.149 38 3HD2 LEU 4 3HD2 LEU 4 -18.073 10.018 6.574 39 H GLU 5 H GLU 5 -16.285 11.761 2.830 40 HA GLU 5 HA GLU 5 -13.525 12.689 3.258 41 1HB GLU 5 1HB GLU 5 -13.009 12.753 0.829 42 2HB GLU 5 2HB GLU 5 -12.991 11.159 1.551 43 1HG GLU 5 1HG GLU 5 -15.626 11.783 0.334 44 2HG GLU 5 2HG GLU 5 -14.296 11.935 -0.787 45 H HIS 6 H HIS 6 -14.223 14.575 4.016 46 HA HIS 6 HA HIS 6 -15.217 16.514 2.059 47 1HB HIS 6 1HB HIS 6 -16.656 17.167 4.432 48 2HB HIS 6 2HB HIS 6 -17.272 16.824 2.829 49 HD1 HIS 6 HD1 HIS 6 -16.428 15.073 6.133 50 HD2 HIS 6 HD2 HIS 6 -18.710 14.598 2.610 51 HE1 HIS 6 HE1 HIS 6 -17.960 13.000 6.502 52 HE2 HIS 6 HE2 HIS 6 -19.355 12.744 4.330 53 H GLU 7 H GLU 7 -13.143 15.645 4.545 54 HA GLU 7 HA GLU 7 -12.248 18.468 4.831 55 1HB GLU 7 1HB GLU 7 -11.965 16.214 6.865 56 2HB GLU 7 2HB GLU 7 -11.312 17.838 6.995 57 1HG GLU 7 1HG GLU 7 -13.196 18.211 8.203 58 2HG GLU 7 2HG GLU 7 -13.907 18.518 6.624 59 H LYS 8 H LYS 8 -11.227 14.959 4.612 60 HA LYS 8 HA LYS 8 -8.481 15.628 4.034 61 1HB LYS 8 1HB LYS 8 -10.185 13.119 4.016 62 2HB LYS 8 2HB LYS 8 -8.812 13.165 2.934 63 1HG LYS 8 1HG LYS 8 -7.882 12.195 4.766 64 2HG LYS 8 2HG LYS 8 -7.363 13.872 4.943 65 1HD LYS 8 1HD LYS 8 -9.102 14.240 6.635 66 2HD LYS 8 2HD LYS 8 -9.778 12.633 6.291 67 1HE LYS 8 1HE LYS 8 -7.427 11.721 6.890 68 2HE LYS 8 2HE LYS 8 -7.140 13.293 7.649 69 1HZ LYS 8 1HZ LYS 8 -7.968 11.639 9.204 70 2HZ LYS 8 2HZ LYS 8 -9.023 12.877 9.075 71 3HZ LYS 8 3HZ LYS 8 -9.361 11.446 8.332 72 H THR 9 H THR 9 -7.576 15.292 2.071 73 HA THR 9 HA THR 9 -9.163 16.136 -0.286 74 HB THR 9 HB THR 9 -6.872 16.519 -1.250 75 HG1 THR 9 1HG THR 9 -5.840 15.091 0.159 76 1HG2 THR 9 1HG2 THR 9 -6.402 18.551 0.061 77 2HG2 THR 9 2HG2 THR 9 -8.151 18.382 -0.180 78 3HG2 THR 9 3HG2 THR 9 -7.426 17.978 1.392 79 HA PRO 10 HA PRO 10 -8.476 11.660 -1.133 80 1HB PRO 10 1HB PRO 10 -10.623 11.107 -2.671 81 2HB PRO 10 2HB PRO 10 -10.762 11.291 -0.901 82 1HG PRO 10 1HG PRO 10 -11.272 13.429 -3.013 83 2HG PRO 10 2HG PRO 10 -12.365 12.920 -1.686 84 1HD PRO 10 1HD PRO 10 -10.734 15.052 -1.377 85 2HD PRO 10 2HD PRO 10 -10.987 13.887 -0.040 86 H GLU 11 H GLU 11 -8.752 14.451 -3.257 87 HA GLU 11 HA GLU 11 -8.146 12.983 -5.734 88 1HB GLU 11 1HB GLU 11 -7.954 15.978 -5.129 89 2HB GLU 11 2HB GLU 11 -7.789 15.216 -6.692 90 1HG GLU 11 1HG GLU 11 -10.144 14.412 -6.562 91 2HG GLU 11 2HG GLU 11 -10.326 15.213 -4.994 92 H LEU 12 H LEU 12 -6.484 15.154 -3.466 93 HA LEU 12 HA LEU 12 -3.858 14.953 -4.601 94 1HB LEU 12 1HB LEU 12 -4.565 16.702 -2.930 95 2HB LEU 12 2HB LEU 12 -4.705 15.422 -1.730 96 HG LEU 12 HG LEU 12 -2.135 14.933 -2.428 97 1HD1 LEU 12 1HD1 LEU 12 -2.064 16.627 -4.217 98 2HD1 LEU 12 2HD1 LEU 12 -2.457 17.897 -3.030 99 3HD1 LEU 12 3HD1 LEU 12 -0.930 16.991 -2.910 100 1HD2 LEU 12 1HD2 LEU 12 -1.475 16.369 -0.583 101 2HD2 LEU 12 2HD2 LEU 12 -3.088 17.132 -0.603 102 3HD2 LEU 12 3HD2 LEU 12 -2.904 15.392 -0.221 103 H ALA 13 H ALA 13 -5.605 13.090 -2.056 104 HA ALA 13 HA ALA 13 -3.375 11.466 -1.336 105 1HB ALA 13 1HB ALA 13 -5.457 11.621 0.041 106 2HB ALA 13 2HB ALA 13 -6.373 10.832 -1.269 107 3HB ALA 13 3HB ALA 13 -5.128 9.930 -0.400 108 H ALA 14 H ALA 14 -5.613 11.264 -4.039 109 HA ALA 14 HA ALA 14 -4.583 8.631 -4.842 110 1HB ALA 14 1HB ALA 14 -6.033 8.943 -6.763 111 2HB ALA 14 2HB ALA 14 -6.893 9.157 -5.221 112 3HB ALA 14 3HB ALA 14 -6.450 10.583 -6.199 113 H LYS 15 H LYS 15 -3.652 12.047 -5.407 114 HA LYS 15 HA LYS 15 -2.078 11.331 -7.825 115 1HB LYS 15 1HB LYS 15 -2.134 13.782 -6.017 116 2HB LYS 15 2HB LYS 15 -1.016 13.583 -7.374 117 1HG LYS 15 1HG LYS 15 -2.881 13.329 -8.938 118 2HG LYS 15 2HG LYS 15 -4.051 13.499 -7.615 119 1HD LYS 15 1HD LYS 15 -3.410 15.796 -7.226 120 2HD LYS 15 2HD LYS 15 -1.997 15.621 -8.278 121 1HE LYS 15 1HE LYS 15 -3.751 16.848 -9.450 122 2HE LYS 15 2HE LYS 15 -3.402 15.304 -10.238 123 1HZ LYS 15 1HZ LYS 15 -5.737 15.620 -10.152 124 2HZ LYS 15 2HZ LYS 15 -5.395 14.396 -9.139 125 3HZ LYS 15 3HZ LYS 15 -5.740 15.911 -8.540 126 H LEU 16 H LEU 16 -1.642 11.843 -4.354 127 HA LEU 16 HA LEU 16 1.088 11.349 -4.024 128 1HB LEU 16 1HB LEU 16 -0.612 12.322 -2.458 129 2HB LEU 16 2HB LEU 16 -1.389 10.751 -2.380 130 HG LEU 16 HG LEU 16 0.827 9.879 -1.354 131 1HD1 LEU 16 1HD1 LEU 16 2.151 11.937 -1.989 132 2HD1 LEU 16 2HD1 LEU 16 1.122 12.904 -0.935 133 3HD1 LEU 16 3HD1 LEU 16 2.152 11.640 -0.239 134 1HD2 LEU 16 1HD2 LEU 16 -0.857 11.953 0.145 135 2HD2 LEU 16 2HD2 LEU 16 -1.369 10.286 -0.178 136 3HD2 LEU 16 3HD2 LEU 16 0.029 10.578 0.846 137 H ALA 17 H ALA 17 -1.671 9.132 -4.548 138 HA ALA 17 HA ALA 17 -0.422 6.716 -3.859 139 1HB ALA 17 1HB ALA 17 -2.896 6.999 -4.330 140 2HB ALA 17 2HB ALA 17 -2.490 7.013 -6.064 141 3HB ALA 17 3HB ALA 17 -2.133 5.591 -5.093 142 H ALA 18 H ALA 18 -0.338 8.605 -6.891 143 HA ALA 18 HA ALA 18 0.806 6.562 -8.530 144 1HB ALA 18 1HB ALA 18 -0.340 8.651 -9.360 145 2HB ALA 18 2HB ALA 18 1.070 9.587 -8.820 146 3HB ALA 18 3HB ALA 18 1.254 8.360 -10.084 147 H GLU 19 H GLU 19 2.222 9.038 -6.360 148 HA GLU 19 HA GLU 19 4.934 8.461 -7.239 149 1HB GLU 19 1HB GLU 19 3.839 10.083 -4.907 150 2HB GLU 19 2HB GLU 19 5.564 9.917 -5.305 151 1HG GLU 19 1HG GLU 19 4.897 10.665 -7.701 152 2HG GLU 19 2HG GLU 19 3.351 11.138 -7.007 153 H ALA 20 H ALA 20 2.910 7.375 -4.450 154 HA ALA 20 HA ALA 20 4.931 5.795 -3.253 155 1HB ALA 20 1HB ALA 20 3.023 4.628 -2.195 156 2HB ALA 20 2HB ALA 20 2.764 6.389 -2.203 157 3HB ALA 20 3HB ALA 20 1.904 5.355 -3.365 158 H ILE 21 H ILE 21 2.617 5.109 -5.852 159 HA ILE 21 HA ILE 21 3.398 2.384 -6.304 160 HB ILE 21 HB ILE 21 1.976 4.563 -7.889 161 1HG1 ILE 21 1HG1 ILE 21 1.040 1.819 -7.015 162 2HG1 ILE 21 2HG1 ILE 21 0.902 3.235 -5.982 163 1HG2 ILE 21 1HG2 ILE 21 2.905 1.910 -8.964 164 2HG2 ILE 21 2HG2 ILE 21 1.503 2.747 -9.661 165 3HG2 ILE 21 3HG2 ILE 21 3.092 3.511 -9.666 166 1HD1 ILE 21 1HD1 ILE 21 -0.513 4.343 -7.694 167 2HD1 ILE 21 2HD1 ILE 21 -0.438 2.866 -8.681 168 3HD1 ILE 21 3HD1 ILE 21 -1.206 2.819 -7.088 169 H GLU 22 H GLU 22 4.595 5.470 -7.692 170 HA GLU 22 HA GLU 22 6.403 4.251 -9.466 171 1HB GLU 22 1HB GLU 22 5.651 6.651 -9.472 172 2HB GLU 22 2HB GLU 22 6.553 6.916 -7.987 173 1HG GLU 22 1HG GLU 22 7.857 7.842 -9.679 174 2HG GLU 22 2HG GLU 22 8.687 6.346 -9.276 175 H ARG 23 H ARG 23 6.478 4.353 -6.026 176 HA ARG 23 HA ARG 23 9.371 3.738 -5.945 177 1HB ARG 23 1HB ARG 23 8.193 5.634 -4.590 178 2HB ARG 23 2HB ARG 23 7.595 4.345 -3.546 179 1HG ARG 23 1HG ARG 23 9.758 3.820 -2.766 180 2HG ARG 23 2HG ARG 23 10.525 4.424 -4.244 181 1HD ARG 23 1HD ARG 23 9.837 6.753 -3.590 182 2HD ARG 23 2HD ARG 23 9.337 6.093 -2.017 183 HE ARG 23 HE ARG 23 12.045 5.391 -2.831 184 1HH1 ARG 23 2HH2 ARG 23 10.202 8.107 -1.499 185 2HH1 ARG 23 1HH2 ARG 23 11.378 8.548 -0.303 186 1HH2 ARG 23 2HH1 ARG 23 13.795 6.292 -1.618 187 2HH2 ARG 23 1HH1 ARG 23 13.475 7.417 -0.330 188 H ASP 24 H ASP 24 6.326 2.099 -5.841 189 HA ASP 24 HA ASP 24 7.594 -0.203 -4.449 190 1HB ASP 24 1HB ASP 24 6.026 0.969 -2.917 191 2HB ASP 24 2HB ASP 24 4.740 0.693 -4.033 192 HA PRO 25 HA PRO 25 6.020 -1.775 -8.423 193 1HB PRO 25 1HB PRO 25 7.149 -4.297 -8.296 194 2HB PRO 25 2HB PRO 25 7.980 -2.818 -8.865 195 1HG PRO 25 1HG PRO 25 8.103 -4.058 -6.116 196 2HG PRO 25 2HG PRO 25 9.456 -3.476 -7.144 197 1HD PRO 25 1HD PRO 25 8.421 -1.952 -5.157 198 2HD PRO 25 2HD PRO 25 8.922 -1.203 -6.703 199 H TRP 26 H TRP 26 5.570 -3.100 -5.107 200 HA TRP 26 HA TRP 26 3.482 -4.949 -6.046 201 1HB TRP 26 1HB TRP 26 4.579 -5.573 -4.039 202 2HB TRP 26 2HB TRP 26 4.276 -3.999 -3.285 203 HD1 TRP 26 HD TRP 26 2.415 -4.053 -1.642 204 HE1 TRP 26 1HE TRP 26 0.192 -5.288 -1.261 205 HE3 TRP 26 3HE TRP 26 2.556 -7.069 -5.735 206 HZ2 TRP 26 2HZ TRP 26 -1.270 -7.492 -2.575 207 HZ3 TRP 26 3HZ TRP 26 0.880 -8.831 -6.071 208 HH2 TRP 26 HH TRP 26 -1.048 -9.040 -4.520 209 H ALA 27 H ALA 27 3.615 -1.578 -4.734 210 HA ALA 27 HA ALA 27 0.750 -1.274 -4.727 211 1HB ALA 27 1HB ALA 27 1.192 1.116 -4.642 212 2HB ALA 27 2HB ALA 27 2.363 0.307 -3.581 213 3HB ALA 27 3HB ALA 27 2.865 0.843 -5.170 214 H ALA 28 H ALA 28 3.308 -0.831 -7.229 215 HA ALA 28 HA ALA 28 1.626 0.205 -9.262 216 1HB ALA 28 1HB ALA 28 4.025 -1.655 -9.682 217 2HB ALA 28 2HB ALA 28 3.374 -0.465 -10.815 218 3HB ALA 28 3HB ALA 28 4.184 0.074 -9.331 219 H GLN 29 H GLN 29 2.432 -3.127 -8.320 220 HA GLN 29 HA GLN 29 0.815 -4.475 -10.260 221 1HB GLN 29 1HB GLN 29 1.807 -5.268 -7.509 222 2HB GLN 29 2HB GLN 29 0.799 -6.335 -8.452 223 1HG GLN 29 1HG GLN 29 2.425 -6.561 -10.168 224 2HG GLN 29 2HG GLN 29 3.322 -5.159 -9.652 225 1HE2 GLN 29 1HE2 GLN 29 4.914 -5.402 -8.228 226 2HE2 GLN 29 2HE2 GLN 29 5.414 -6.853 -7.391 227 H VAL 30 H VAL 30 -0.025 -3.231 -6.948 228 HA VAL 30 HA VAL 30 -2.666 -4.213 -6.915 229 HB VAL 30 HB VAL 30 -1.375 -1.804 -5.566 230 1HG1 VAL 30 1HG1 VAL 30 -3.335 -1.659 -4.059 231 2HG1 VAL 30 2HG1 VAL 30 -3.715 -1.179 -5.714 232 3HG1 VAL 30 3HG1 VAL 30 -4.211 -2.774 -5.128 233 1HG2 VAL 30 1HG2 VAL 30 -0.642 -3.966 -4.685 234 2HG2 VAL 30 2HG2 VAL 30 -1.691 -3.202 -3.508 235 3HG2 VAL 30 3HG2 VAL 30 -2.319 -4.504 -4.543 236 H SER 31 H SER 31 -1.362 -1.292 -8.412 237 HA SER 31 HA SER 31 -3.892 -0.159 -9.070 238 1HB SER 31 1HB SER 31 -1.637 1.002 -8.950 239 2HB SER 31 2HB SER 31 -1.190 0.210 -10.468 240 HG SER 31 HG SER 31 -2.210 1.682 -11.493 241 H GLN 32 H GLN 32 -1.954 -2.650 -10.579 242 HA GLN 32 HA GLN 32 -3.525 -2.595 -13.082 243 1HB GLN 32 1HB GLN 32 -1.119 -3.053 -13.129 244 2HB GLN 32 2HB GLN 32 -1.320 -4.439 -12.050 245 1HG GLN 32 1HG GLN 32 -2.749 -5.532 -13.745 246 2HG GLN 32 2HG GLN 32 -2.504 -4.157 -14.833 247 1HE2 GLN 32 1HE2 GLN 32 0.555 -4.086 -13.854 248 2HE2 GLN 32 2HE2 GLN 32 1.197 -5.461 -14.749 249 H LEU 33 H LEU 33 -3.276 -4.365 -9.997 250 HA LEU 33 HA LEU 33 -4.845 -6.641 -10.796 251 1HB LEU 33 1HB LEU 33 -4.272 -5.501 -8.031 252 2HB LEU 33 2HB LEU 33 -5.137 -7.000 -8.324 253 HG LEU 33 HG LEU 33 -2.228 -6.415 -8.500 254 1HD1 LEU 33 1HD1 LEU 33 -2.019 -8.538 -7.423 255 2HD1 LEU 33 2HD1 LEU 33 -3.266 -7.610 -6.597 256 3HD1 LEU 33 3HD1 LEU 33 -3.728 -8.927 -7.703 257 1HD2 LEU 33 1HD2 LEU 33 -2.529 -7.093 -10.766 258 2HD2 LEU 33 2HD2 LEU 33 -1.821 -8.440 -9.862 259 3HD2 LEU 33 3HD2 LEU 33 -3.542 -8.465 -10.300 260 H SER 34 H SER 34 -5.703 -3.500 -9.930 261 HA SER 34 HA SER 34 -7.707 -2.385 -9.754 262 1HB SER 34 1HB SER 34 -8.702 -4.574 -11.606 263 2HB SER 34 2HB SER 34 -9.311 -2.925 -11.480 264 HG SER 34 HG SER 34 -6.703 -3.713 -12.353 265 H LEU 35 H LEU 35 -7.353 -3.901 -7.482 266 HA LEU 35 HA LEU 35 -9.279 -5.898 -6.997 267 1HB LEU 35 1HB LEU 35 -7.944 -4.043 -5.001 268 2HB LEU 35 2HB LEU 35 -8.952 -5.411 -4.586 269 HG LEU 35 HG LEU 35 -6.906 -6.294 -4.243 270 1HD1 LEU 35 1HD1 LEU 35 -7.220 -7.007 -7.177 271 2HD1 LEU 35 2HD1 LEU 35 -6.335 -7.916 -5.939 272 3HD1 LEU 35 3HD1 LEU 35 -8.099 -7.772 -5.840 273 1HD2 LEU 35 1HD2 LEU 35 -5.833 -4.772 -6.625 274 2HD2 LEU 35 2HD2 LEU 35 -5.580 -4.452 -4.901 275 3HD2 LEU 35 3HD2 LEU 35 -4.895 -5.910 -5.624 276 HA PRO 36 HA PRO 36 -13.022 -3.634 -6.808 277 1HB PRO 36 1HB PRO 36 -14.528 -5.205 -5.006 278 2HB PRO 36 2HB PRO 36 -14.356 -5.408 -6.769 279 1HG PRO 36 1HG PRO 36 -12.814 -6.804 -4.589 280 2HG PRO 36 2HG PRO 36 -13.452 -7.478 -6.118 281 1HD PRO 36 1HD PRO 36 -10.848 -6.830 -5.790 282 2HD PRO 36 2HD PRO 36 -11.674 -6.525 -7.346 283 H LYS 37 H LYS 37 -12.976 -4.626 -3.254 284 HA LYS 37 HA LYS 37 -11.834 -2.019 -2.683 285 1HB LYS 37 1HB LYS 37 -14.337 -1.582 -3.052 286 2HB LYS 37 2HB LYS 37 -14.620 -2.434 -1.559 287 1HG LYS 37 1HG LYS 37 -14.506 0.040 -1.315 288 2HG LYS 37 2HG LYS 37 -13.366 -0.825 -0.297 289 1HD LYS 37 1HD LYS 37 -12.482 1.267 -1.220 290 2HD LYS 37 2HD LYS 37 -11.489 -0.120 -1.649 291 1HE LYS 37 1HE LYS 37 -12.467 -0.107 -3.927 292 2HE LYS 37 2HE LYS 37 -13.530 1.239 -3.476 293 1HZ LYS 37 1HZ LYS 37 -10.562 1.379 -3.468 294 2HZ LYS 37 2HZ LYS 37 -11.501 1.907 -4.683 295 3HZ LYS 37 3HZ LYS 37 -11.581 2.626 -3.200 296 H LEU 38 H LEU 38 -13.717 -4.605 -1.031 297 HA LEU 38 HA LEU 38 -12.196 -4.422 1.418 298 1HB LEU 38 1HB LEU 38 -14.240 -5.695 1.462 299 2HB LEU 38 2HB LEU 38 -13.692 -6.756 0.163 300 HG LEU 38 HG LEU 38 -12.001 -7.768 1.614 301 1HD1 LEU 38 1HD1 LEU 38 -13.057 -5.901 3.790 302 2HD1 LEU 38 2HD1 LEU 38 -11.954 -7.277 4.043 303 3HD1 LEU 38 3HD1 LEU 38 -11.415 -5.887 3.104 304 1HD2 LEU 38 1HD2 LEU 38 -14.335 -8.630 1.597 305 2HD2 LEU 38 2HD2 LEU 38 -13.480 -8.958 3.107 306 3HD2 LEU 38 3HD2 LEU 38 -14.686 -7.651 3.044 307 H VAL 39 H VAL 39 -11.765 -6.383 -1.549 308 HA VAL 39 HA VAL 39 -9.324 -7.588 -0.674 309 HB VAL 39 HB VAL 39 -10.099 -7.129 -3.575 310 1HG1 VAL 39 1HG1 VAL 39 -7.844 -8.131 -3.149 311 2HG1 VAL 39 2HG1 VAL 39 -8.601 -9.405 -2.189 312 3HG1 VAL 39 3HG1 VAL 39 -8.931 -9.274 -3.928 313 1HG2 VAL 39 1HG2 VAL 39 -12.086 -8.005 -2.600 314 2HG2 VAL 39 2HG2 VAL 39 -11.284 -9.379 -3.338 315 3HG2 VAL 39 3HG2 VAL 39 -11.196 -9.128 -1.577 316 H GLU 40 H GLU 40 -10.055 -4.400 -1.982 317 HA GLU 40 HA GLU 40 -7.287 -3.829 -2.748 318 1HB GLU 40 1HB GLU 40 -9.149 -2.531 -3.778 319 2HB GLU 40 2HB GLU 40 -9.579 -1.895 -2.190 320 1HG GLU 40 1HG GLU 40 -7.343 -0.879 -1.963 321 2HG GLU 40 2HG GLU 40 -6.894 -1.497 -3.555 322 H GLN 41 H GLN 41 -9.426 -3.189 0.123 323 HA GLN 41 HA GLN 41 -7.456 -1.955 1.701 324 1HB GLN 41 1HB GLN 41 -9.966 -2.162 2.177 325 2HB GLN 41 2HB GLN 41 -9.638 -3.767 2.815 326 1HG GLN 41 1HG GLN 41 -8.304 -2.867 4.608 327 2HG GLN 41 2HG GLN 41 -8.149 -1.304 3.799 328 1HE2 GLN 41 1HE2 GLN 41 -11.023 -3.376 4.741 329 2HE2 GLN 41 2HE2 GLN 41 -11.867 -2.024 5.467 330 H VAL 42 H VAL 42 -8.028 -5.417 1.103 331 HA VAL 42 HA VAL 42 -6.110 -6.380 3.031 332 HB VAL 42 HB VAL 42 -7.551 -7.555 0.636 333 1HG1 VAL 42 1HG1 VAL 42 -5.502 -8.794 0.584 334 2HG1 VAL 42 2HG1 VAL 42 -5.504 -9.011 2.346 335 3HG1 VAL 42 3HG1 VAL 42 -6.726 -9.811 1.327 336 1HG2 VAL 42 1HG2 VAL 42 -7.605 -8.071 3.631 337 2HG2 VAL 42 2HG2 VAL 42 -8.789 -7.112 2.715 338 3HG2 VAL 42 3HG2 VAL 42 -8.654 -8.846 2.416 339 H ALA 43 H ALA 43 -5.860 -5.918 -0.572 340 HA ALA 43 HA ALA 43 -3.121 -6.655 -0.654 341 1HB ALA 43 1HB ALA 43 -4.660 -6.633 -2.612 342 2HB ALA 43 2HB ALA 43 -4.682 -4.852 -2.549 343 3HB ALA 43 3HB ALA 43 -3.169 -5.722 -2.893 344 H LEU 44 H LEU 44 -4.757 -3.649 0.068 345 HA LEU 44 HA LEU 44 -2.536 -1.880 -0.041 346 1HB LEU 44 1HB LEU 44 -5.279 -1.731 1.167 347 2HB LEU 44 2HB LEU 44 -4.100 -0.536 1.590 348 HG LEU 44 HG LEU 44 -4.984 -1.069 -1.263 349 1HD1 LEU 44 1HD1 LEU 44 -6.726 -0.046 0.191 350 2HD1 LEU 44 2HD1 LEU 44 -5.579 1.228 0.667 351 3HD1 LEU 44 3HD1 LEU 44 -6.130 1.100 -1.015 352 1HD2 LEU 44 1HD2 LEU 44 -2.703 -0.195 -1.307 353 2HD2 LEU 44 2HD2 LEU 44 -3.813 1.098 -1.727 354 3HD2 LEU 44 3HD2 LEU 44 -3.112 1.044 -0.100 355 H ASN 45 H ASN 45 -4.128 -3.667 2.677 356 HA ASN 45 HA ASN 45 -2.228 -2.467 4.556 357 1HB ASN 45 1HB ASN 45 -4.619 -4.314 4.844 358 2HB ASN 45 2HB ASN 45 -3.509 -4.084 6.173 359 1HD2 ASN 45 1HD2 ASN 45 -6.013 -2.525 4.344 360 2HD2 ASN 45 2HD2 ASN 45 -6.101 -1.097 5.404 361 H ALA 46 H ALA 46 -1.400 -4.625 2.352 362 HA ALA 46 HA ALA 46 0.288 -6.127 4.218 363 1HB ALA 46 1HB ALA 46 -0.068 -8.160 2.819 364 2HB ALA 46 2HB ALA 46 -1.618 -7.611 3.480 365 3HB ALA 46 3HB ALA 46 -1.196 -7.235 1.807 366 H TRP 47 H TRP 47 2.293 -6.715 3.346 367 HA TRP 47 HA TRP 47 3.046 -5.325 0.796 368 1HB TRP 47 1HB TRP 47 5.338 -5.328 1.599 369 2HB TRP 47 2HB TRP 47 4.292 -4.400 2.645 370 HD1 TRP 47 HD TRP 47 3.772 -5.390 5.082 371 HE1 TRP 47 1HE TRP 47 5.335 -6.811 6.626 372 HE3 TRP 47 3HE TRP 47 6.762 -7.634 1.557 373 HZ2 TRP 47 2HZ TRP 47 7.517 -8.566 6.390 374 HZ3 TRP 47 3HZ TRP 47 8.455 -9.319 2.275 375 HH2 TRP 47 HH TRP 47 8.876 -9.725 4.672 376 H LYS 48 H LYS 48 4.426 -6.506 -0.606 377 HA LYS 48 HA LYS 48 3.688 -9.358 -0.573 378 1HB LYS 48 1HB LYS 48 2.998 -7.935 -2.409 379 2HB LYS 48 2HB LYS 48 4.638 -7.411 -2.702 380 1HG LYS 48 1HG LYS 48 4.784 -10.183 -3.018 381 2HG LYS 48 2HG LYS 48 3.170 -9.761 -3.627 382 1HD LYS 48 1HD LYS 48 4.397 -7.988 -5.077 383 2HD LYS 48 2HD LYS 48 5.879 -8.810 -4.586 384 1HE LYS 48 1HE LYS 48 4.980 -10.943 -5.463 385 2HE LYS 48 2HE LYS 48 3.539 -10.106 -6.046 386 1HZ LYS 48 1HZ LYS 48 6.233 -9.301 -6.946 387 2HZ LYS 48 2HZ LYS 48 5.418 -10.529 -7.657 388 3HZ LYS 48 3HZ LYS 48 4.764 -9.025 -7.664 389 H GLU 49 H GLU 49 5.048 -10.947 -0.270 390 HA GLU 49 HA GLU 49 7.996 -10.600 -0.486 391 1HB GLU 49 1HB GLU 49 7.442 -11.446 1.722 392 2HB GLU 49 2HB GLU 49 6.155 -12.460 1.085 393 1HG GLU 49 1HG GLU 49 7.911 -13.871 -0.106 394 2HG GLU 49 2HG GLU 49 9.131 -12.958 0.790 395 H GLU 50 H GLU 50 8.700 -11.588 -2.439 396 HA GLU 50 HA GLU 50 6.874 -13.629 -3.623 397 1HB GLU 50 1HB GLU 50 6.736 -11.700 -4.953 398 2HB GLU 50 2HB GLU 50 8.478 -11.496 -5.026 399 1HG GLU 50 1HG GLU 50 8.754 -13.439 -6.401 400 2HG GLU 50 2HG GLU 50 7.130 -14.025 -6.035 401 H SER 51 H SER 51 7.661 -15.540 -3.653 402 HA SER 51 HA SER 51 10.485 -16.131 -3.012 403 1HB SER 51 1HB SER 51 8.575 -17.195 -1.700 404 2HB SER 51 2HB SER 51 7.995 -17.893 -3.219 405 HG SER 51 HG SER 51 10.215 -18.558 -1.646 406 H ASP 52 H ASP 52 11.088 -18.151 -4.459 407 HA ASP 52 HA ASP 52 11.599 -17.299 -7.006 408 1HB ASP 52 1HB ASP 52 11.411 -20.108 -5.891 409 2HB ASP 52 2HB ASP 52 11.777 -19.849 -7.592 410 H ASN 53 H ASN 53 8.679 -19.176 -6.102 411 HA ASN 53 HA ASN 53 7.459 -18.149 -8.583 412 1HB ASN 53 1HB ASN 53 8.540 -20.573 -8.834 413 2HB ASN 53 2HB ASN 53 7.039 -21.088 -8.077 414 1HD2 ASN 53 1HD2 ASN 53 5.046 -19.783 -9.154 415 2HD2 ASN 53 2HD2 ASN 53 5.011 -19.723 -10.909 416 H ALA 54 H ALA 54 7.038 -17.598 -5.608 417 HA ALA 54 HA ALA 54 4.137 -18.081 -5.610 418 1HB ALA 54 1HB ALA 54 5.066 -20.018 -4.334 419 2HB ALA 54 2HB ALA 54 5.967 -18.906 -3.286 420 3HB ALA 54 3HB ALA 54 4.196 -18.910 -3.258 421 H VAL 55 H VAL 55 3.172 -16.750 -3.686 422 HA VAL 55 HA VAL 55 4.809 -14.402 -3.064 423 HB VAL 55 HB VAL 55 2.085 -14.261 -4.442 424 1HG1 VAL 55 1HG1 VAL 55 4.044 -12.128 -3.532 425 2HG1 VAL 55 2HG1 VAL 55 2.554 -11.814 -4.452 426 3HG1 VAL 55 3HG1 VAL 55 2.462 -12.436 -2.794 427 1HG2 VAL 55 1HG2 VAL 55 3.901 -14.746 -6.086 428 2HG2 VAL 55 2HG2 VAL 55 3.326 -13.095 -6.268 429 3HG2 VAL 55 3HG2 VAL 55 4.854 -13.418 -5.426 430 H CYS 56 H CYS 56 4.546 -13.917 -1.028 431 HA CYS 56 HA CYS 56 2.095 -14.831 0.443 432 1HB CYS 56 1HB CYS 56 4.779 -14.287 1.736 433 2HB CYS 56 2HB CYS 56 3.345 -15.019 2.458 434 HG CYS 56 HG CYS 56 5.813 -16.188 1.015 435 H LEU 57 H LEU 57 0.793 -13.107 0.691 436 HA LEU 57 HA LEU 57 1.905 -10.375 0.852 437 1HB LEU 57 1HB LEU 57 -0.783 -11.577 0.399 438 2HB LEU 57 2HB LEU 57 -0.784 -10.133 1.395 439 HG LEU 57 HG LEU 57 -1.082 -9.680 -1.044 440 1HD1 LEU 57 1HD1 LEU 57 1.157 -8.048 -0.987 441 2HD1 LEU 57 2HD1 LEU 57 -0.400 -7.689 -0.240 442 3HD1 LEU 57 3HD1 LEU 57 0.914 -8.377 0.719 443 1HD2 LEU 57 1HD2 LEU 57 0.753 -9.849 -2.598 444 2HD2 LEU 57 2HD2 LEU 57 1.846 -10.455 -1.356 445 3HD2 LEU 57 3HD2 LEU 57 0.468 -11.435 -1.881 446 H HIS 58 H HIS 58 2.833 -9.826 2.652 447 HA HIS 58 HA HIS 58 2.127 -10.928 5.298 448 1HB HIS 58 1HB HIS 58 4.095 -8.861 4.282 449 2HB HIS 58 2HB HIS 58 3.844 -9.148 5.995 450 HD1 HIS 58 HD1 HIS 58 5.792 -10.558 6.922 451 HD2 HIS 58 HD2 HIS 58 4.781 -11.405 2.902 452 HE1 HIS 58 HE1 HIS 58 7.422 -12.351 6.090 453 HE2 HIS 58 HE2 HIS 58 6.840 -12.891 3.725 454 H LEU 59 H LEU 59 0.069 -10.284 5.793 455 HA LEU 59 HA LEU 59 -0.830 -7.472 5.527 456 1HB LEU 59 1HB LEU 59 -2.253 -9.614 5.038 457 2HB LEU 59 2HB LEU 59 -2.150 -9.960 6.756 458 HG LEU 59 HG LEU 59 -3.243 -7.424 6.839 459 1HD1 LEU 59 1HD1 LEU 59 -4.410 -8.842 4.400 460 2HD1 LEU 59 2HD1 LEU 59 -5.134 -7.446 5.218 461 3HD1 LEU 59 3HD1 LEU 59 -3.584 -7.264 4.402 462 1HD2 LEU 59 1HD2 LEU 59 -4.130 -9.179 8.151 463 2HD2 LEU 59 2HD2 LEU 59 -5.458 -8.828 7.021 464 3HD2 LEU 59 3HD2 LEU 59 -4.389 -10.225 6.776 465 H ARG 60 H ARG 60 -1.252 -6.195 7.410 466 HA ARG 60 HA ARG 60 0.306 -6.823 9.765 467 1HB ARG 60 1HB ARG 60 -2.027 -4.895 9.323 468 2HB ARG 60 2HB ARG 60 -1.130 -4.965 10.830 469 1HG ARG 60 1HG ARG 60 0.078 -4.343 8.107 470 2HG ARG 60 2HG ARG 60 -0.404 -3.137 9.300 471 1HD ARG 60 1HD ARG 60 1.341 -3.595 10.750 472 2HD ARG 60 2HD ARG 60 1.559 -5.232 10.182 473 HE ARG 60 HE ARG 60 2.346 -2.754 8.707 474 1HH1 ARG 60 2HH2 ARG 60 2.721 -6.313 9.195 475 2HH1 ARG 60 1HH2 ARG 60 4.079 -6.399 8.193 476 1HH2 ARG 60 2HH1 ARG 60 4.135 -2.941 7.390 477 2HH2 ARG 60 1HH1 ARG 60 4.793 -4.463 6.913 478 H SER 61 H SER 61 -0.200 -8.093 11.589 479 HA SER 61 HA SER 61 -2.432 -9.695 11.674 480 1HB SER 61 1HB SER 61 -0.701 -8.642 13.928 481 2HB SER 61 2HB SER 61 -1.890 -9.953 14.092 482 HG SER 61 HG SER 61 -0.623 -11.261 13.222 483 H SER 62 H SER 62 -2.028 -6.369 12.726 484 HA SER 62 HA SER 62 -4.443 -6.093 14.263 485 1HB SER 62 1HB SER 62 -2.872 -3.958 12.760 486 2HB SER 62 2HB SER 62 -4.036 -3.702 14.078 487 HG SER 62 HG SER 62 -2.067 -3.719 15.030 488 H GLN 63 H GLN 63 -3.987 -6.571 10.929 489 HA GLN 63 HA GLN 63 -6.632 -5.379 10.221 490 1HB GLN 63 1HB GLN 63 -4.129 -5.771 8.535 491 2HB GLN 63 2HB GLN 63 -5.681 -5.236 7.905 492 1HG GLN 63 1HG GLN 63 -4.109 -3.744 10.064 493 2HG GLN 63 2HG GLN 63 -4.103 -3.358 8.360 494 1HE2 GLN 63 1HE2 GLN 63 -5.992 -3.071 11.377 495 2HE2 GLN 63 2HE2 GLN 63 -7.123 -1.966 10.637 496 H ARG 64 H ARG 64 -5.549 -8.240 11.197 497 HA ARG 64 HA ARG 64 -6.027 -10.100 9.155 498 1HB ARG 64 1HB ARG 64 -6.542 -10.168 12.162 499 2HB ARG 64 2HB ARG 64 -6.944 -11.569 11.156 500 1HG ARG 64 1HG ARG 64 -4.733 -11.924 10.486 501 2HG ARG 64 2HG ARG 64 -4.224 -10.326 10.987 502 1HD ARG 64 1HD ARG 64 -3.351 -11.549 12.731 503 2HD ARG 64 2HD ARG 64 -4.926 -11.193 13.431 504 HE ARG 64 HE ARG 64 -3.826 -13.744 12.500 505 1HH1 ARG 64 2HH2 ARG 64 -6.895 -12.195 13.529 506 2HH1 ARG 64 1HH2 ARG 64 -7.679 -13.706 13.751 507 1HH2 ARG 64 2HH1 ARG 64 -4.825 -15.624 12.841 508 2HH2 ARG 64 1HH1 ARG 64 -6.436 -15.694 13.533 509 H HIS 65 H HIS 65 -8.488 -8.230 11.017 510 HA HIS 65 HA HIS 65 -10.675 -9.900 10.411 511 1HB HIS 65 1HB HIS 65 -10.406 -7.464 11.732 512 2HB HIS 65 2HB HIS 65 -11.353 -7.015 10.331 513 HD1 HIS 65 HD1 HIS 65 -11.574 -8.765 13.629 514 HD2 HIS 65 HD2 HIS 65 -13.769 -8.469 10.019 515 HE1 HIS 65 HE1 HIS 65 -13.969 -9.683 14.096 516 HE2 HIS 65 HE2 HIS 65 -15.288 -9.472 11.932 517 H LEU 66 H LEU 66 -8.862 -7.898 8.163 518 HA LEU 66 HA LEU 66 -11.115 -7.867 6.236 519 1HB LEU 66 1HB LEU 66 -8.274 -6.809 5.933 520 2HB LEU 66 2HB LEU 66 -9.582 -6.675 4.780 521 HG LEU 66 HG LEU 66 -9.589 -4.599 5.634 522 1HD1 LEU 66 1HD1 LEU 66 -11.541 -5.925 7.568 523 2HD1 LEU 66 2HD1 LEU 66 -11.544 -4.246 7.021 524 3HD1 LEU 66 3HD1 LEU 66 -11.886 -5.540 5.870 525 1HD2 LEU 66 1HD2 LEU 66 -7.934 -4.939 7.421 526 2HD2 LEU 66 2HD2 LEU 66 -9.279 -3.941 7.970 527 3HD2 LEU 66 3HD2 LEU 66 -9.181 -5.634 8.478 528 H ASN 67 H ASN 67 -8.204 -9.739 6.946 529 HA ASN 67 HA ASN 67 -7.918 -10.785 4.241 530 1HB ASN 67 1HB ASN 67 -5.959 -10.677 5.466 531 2HB ASN 67 2HB ASN 67 -6.652 -11.456 6.906 532 1HD2 ASN 67 1HD2 ASN 67 -4.742 -12.975 6.816 533 2HD2 ASN 67 2HD2 ASN 67 -4.848 -14.292 5.702 534 H ASN 68 H ASN 68 -9.303 -12.068 3.430 535 HA ASN 68 HA ASN 68 -10.310 -14.412 4.870 536 1HB ASN 68 1HB ASN 68 -12.549 -14.228 4.029 537 2HB ASN 68 2HB ASN 68 -12.131 -12.833 5.014 538 1HD2 ASN 68 1HD2 ASN 68 -13.664 -13.729 2.121 539 2HD2 ASN 68 2HD2 ASN 68 -13.668 -12.103 1.434 540 H ARG 69 H ARG 69 -11.003 -16.160 3.416 541 HA ARG 69 HA ARG 69 -9.191 -16.399 1.234 542 1HB ARG 69 1HB ARG 69 -11.499 -18.148 2.125 543 2HB ARG 69 2HB ARG 69 -10.516 -18.506 0.687 544 1HG ARG 69 1HG ARG 69 -8.445 -18.273 2.126 545 2HG ARG 69 2HG ARG 69 -9.503 -18.203 3.543 546 1HD ARG 69 1HD ARG 69 -10.315 -20.483 3.048 547 2HD ARG 69 2HD ARG 69 -9.386 -20.509 1.547 548 HE ARG 69 HE ARG 69 -7.421 -20.807 2.670 549 1HH1 ARG 69 2HH2 ARG 69 -10.037 -20.470 5.067 550 2HH1 ARG 69 1HH2 ARG 69 -8.985 -20.341 6.423 551 1HH2 ARG 69 2HH1 ARG 69 -5.993 -20.695 4.505 552 2HH2 ARG 69 1HH1 ARG 69 -6.669 -20.725 6.119 553 H GLY 70 H GLY 70 -12.633 -15.397 1.235 554 1HA GLY 70 1HA GLY 70 -13.010 -15.449 -1.564 555 2HA GLY 70 2HA GLY 70 -13.760 -14.282 -0.454 556 H ALA 71 H ALA 71 -11.498 -12.919 0.536 557 HA ALA 71 HA ALA 71 -10.801 -11.204 -1.633 558 1HB ALA 71 1HB ALA 71 -9.518 -11.445 1.131 559 2HB ALA 71 2HB ALA 71 -9.237 -10.140 -0.026 560 3HB ALA 71 3HB ALA 71 -10.849 -10.358 0.677 561 H GLN 72 H GLN 72 -8.937 -13.795 0.059 562 HA GLN 72 HA GLN 72 -6.550 -13.537 -1.372 563 1HB GLN 72 1HB GLN 72 -6.826 -14.999 0.589 564 2HB GLN 72 2HB GLN 72 -7.874 -16.071 -0.314 565 1HG GLN 72 1HG GLN 72 -5.045 -15.579 -1.266 566 2HG GLN 72 2HG GLN 72 -5.368 -16.690 0.062 567 1HE2 GLN 72 1HE2 GLN 72 -4.126 -17.707 -2.177 568 2HE2 GLN 72 2HE2 GLN 72 -5.220 -18.801 -2.982 569 H GLN 73 H GLN 73 -9.491 -15.396 -2.302 570 HA GLN 73 HA GLN 73 -8.425 -16.531 -4.656 571 1HB GLN 73 1HB GLN 73 -11.223 -15.790 -3.682 572 2HB GLN 73 2HB GLN 73 -10.979 -16.486 -5.269 573 1HG GLN 73 1HG GLN 73 -10.038 -17.769 -2.686 574 2HG GLN 73 2HG GLN 73 -11.544 -18.148 -3.530 575 1HE2 GLN 73 1HE2 GLN 73 -8.084 -18.678 -3.463 576 2HE2 GLN 73 2HE2 GLN 73 -8.065 -19.837 -4.789 577 H LYS 74 H LYS 74 -10.225 -13.518 -4.170 578 HA LYS 74 HA LYS 74 -10.202 -12.759 -6.954 579 1HB LYS 74 1HB LYS 74 -11.692 -11.691 -5.305 580 2HB LYS 74 2HB LYS 74 -10.299 -11.017 -4.473 581 1HG LYS 74 1HG LYS 74 -11.375 -9.321 -5.803 582 2HG LYS 74 2HG LYS 74 -9.778 -9.610 -6.474 583 1HD LYS 74 1HD LYS 74 -12.201 -11.053 -7.610 584 2HD LYS 74 2HD LYS 74 -11.910 -9.357 -7.999 585 1HE LYS 74 1HE LYS 74 -9.743 -9.841 -8.968 586 2HE LYS 74 2HE LYS 74 -9.853 -11.546 -8.511 587 1HZ LYS 74 1HZ LYS 74 -10.455 -11.058 -10.848 588 2HZ LYS 74 2HZ LYS 74 -11.637 -11.850 -10.016 589 3HZ LYS 74 3HZ LYS 74 -11.757 -10.228 -10.312 590 H LEU 75 H LEU 75 -7.984 -12.053 -4.248 591 HA LEU 75 HA LEU 75 -6.130 -10.475 -5.697 592 1HB LEU 75 1HB LEU 75 -6.426 -11.399 -3.050 593 2HB LEU 75 2HB LEU 75 -5.016 -12.194 -3.543 594 HG LEU 75 HG LEU 75 -5.555 -9.209 -3.625 595 1HD1 LEU 75 1HD1 LEU 75 -3.793 -10.831 -1.755 596 2HD1 LEU 75 2HD1 LEU 75 -4.023 -9.069 -1.716 597 3HD1 LEU 75 3HD1 LEU 75 -5.381 -10.146 -1.365 598 1HD2 LEU 75 1HD2 LEU 75 -3.297 -8.748 -4.145 599 2HD2 LEU 75 2HD2 LEU 75 -2.841 -10.459 -4.077 600 3HD2 LEU 75 3HD2 LEU 75 -3.886 -9.862 -5.381 601 H ALA 76 H ALA 76 -6.363 -14.012 -5.238 602 HA ALA 76 HA ALA 76 -3.869 -14.696 -6.392 603 1HB ALA 76 1HB ALA 76 -5.087 -16.171 -4.835 604 2HB ALA 76 2HB ALA 76 -6.388 -16.382 -6.034 605 3HB ALA 76 3HB ALA 76 -4.754 -16.980 -6.368 606 H GLU 77 H GLU 77 -7.168 -14.709 -7.756 607 HA GLU 77 HA GLU 77 -6.488 -15.551 -10.397 608 1HB GLU 77 1HB GLU 77 -8.794 -15.177 -9.188 609 2HB GLU 77 2HB GLU 77 -8.599 -13.481 -9.533 610 1HG GLU 77 1HG GLU 77 -10.063 -14.393 -11.160 611 2HG GLU 77 2HG GLU 77 -8.549 -14.024 -11.981 612 H ALA 78 H ALA 78 -6.410 -12.374 -8.776 613 HA ALA 78 HA ALA 78 -5.871 -10.884 -11.171 614 1HB ALA 78 1HB ALA 78 -7.000 -9.911 -9.223 615 2HB ALA 78 2HB ALA 78 -5.539 -10.122 -8.245 616 3HB ALA 78 3HB ALA 78 -5.549 -9.008 -9.635 617 H LEU 79 H LEU 79 -3.751 -11.994 -8.461 618 HA LEU 79 HA LEU 79 -1.329 -11.042 -9.619 619 1HB LEU 79 1HB LEU 79 -2.100 -12.568 -7.287 620 2HB LEU 79 2HB LEU 79 -0.765 -13.399 -8.060 621 HG LEU 79 HG LEU 79 -0.708 -10.420 -7.496 622 1HD1 LEU 79 1HD1 LEU 79 0.596 -11.004 -5.443 623 2HD1 LEU 79 2HD1 LEU 79 -1.082 -11.547 -5.386 624 3HD1 LEU 79 3HD1 LEU 79 0.218 -12.715 -5.730 625 1HD2 LEU 79 1HD2 LEU 79 1.640 -12.348 -7.799 626 2HD2 LEU 79 2HD2 LEU 79 1.014 -11.354 -9.114 627 3HD2 LEU 79 3HD2 LEU 79 1.697 -10.577 -7.687 628 H SER 80 H SER 80 -3.070 -14.143 -9.941 629 HA SER 80 HA SER 80 -1.077 -15.531 -11.423 630 1HB SER 80 1HB SER 80 -4.112 -15.741 -11.292 631 2HB SER 80 2HB SER 80 -3.134 -16.877 -12.198 632 HG SER 80 HG SER 80 -3.277 -16.404 -9.453 633 H MET 81 H MET 81 -3.722 -13.330 -12.455 634 HA MET 81 HA MET 81 -3.178 -13.693 -15.284 635 1HB MET 81 1HB MET 81 -5.336 -13.006 -14.288 636 2HB MET 81 2HB MET 81 -4.620 -11.462 -13.804 637 1HG MET 81 1HG MET 81 -5.859 -11.087 -15.762 638 2HG MET 81 2HG MET 81 -4.173 -11.017 -16.267 639 1HE MET 81 1HE MET 81 -6.745 -12.478 -19.079 640 2HE MET 81 2HE MET 81 -7.159 -11.427 -17.713 641 3HE MET 81 3HE MET 81 -5.720 -11.073 -18.697 642 H LEU 82 H LEU 82 -2.194 -11.330 -12.782 643 HA LEU 82 HA LEU 82 -0.856 -9.483 -14.454 644 1HB LEU 82 1HB LEU 82 -1.569 -8.868 -12.307 645 2HB LEU 82 2HB LEU 82 -0.763 -10.211 -11.529 646 HG LEU 82 HG LEU 82 1.203 -8.581 -12.936 647 1HD1 LEU 82 1HD1 LEU 82 -0.613 -6.829 -12.383 648 2HD1 LEU 82 2HD1 LEU 82 -0.112 -7.034 -10.700 649 3HD1 LEU 82 3HD1 LEU 82 1.057 -6.503 -11.929 650 1HD2 LEU 82 1HD2 LEU 82 0.796 -9.107 -9.948 651 2HD2 LEU 82 2HD2 LEU 82 1.598 -10.233 -11.066 652 3HD2 LEU 82 3HD2 LEU 82 2.312 -8.663 -10.756 653 H LYS 83 H LYS 83 0.461 -12.186 -12.484 654 HA LYS 83 HA LYS 83 3.126 -11.986 -13.553 655 1HB LYS 83 1HB LYS 83 2.197 -13.090 -11.386 656 2HB LYS 83 2HB LYS 83 1.833 -14.490 -12.383 657 1HG LYS 83 1HG LYS 83 4.594 -13.237 -11.973 658 2HG LYS 83 2HG LYS 83 3.948 -14.563 -11.035 659 1HD LYS 83 1HD LYS 83 4.933 -15.952 -12.463 660 2HD LYS 83 2HD LYS 83 3.657 -15.550 -13.609 661 1HE LYS 83 1HE LYS 83 5.135 -13.562 -14.327 662 2HE LYS 83 2HE LYS 83 6.416 -14.258 -13.330 663 1HZ LYS 83 1HZ LYS 83 6.550 -14.886 -15.656 664 2HZ LYS 83 2HZ LYS 83 6.399 -16.202 -14.714 665 3HZ LYS 83 3HZ LYS 83 5.110 -15.647 -15.604 666 H GLY 84 H GLY 84 0.151 -13.536 -14.654 667 1HA GLY 84 1HA GLY 84 -0.381 -14.285 -16.747 668 2HA GLY 84 2HA GLY 84 1.294 -14.146 -17.269 669 H SER 85 H SER 85 1.084 -15.850 -14.279 670 HA SER 85 HA SER 85 0.585 -18.447 -15.424 671 1HB SER 85 1HB SER 85 3.155 -17.824 -15.632 672 2HB SER 85 2HB SER 85 3.184 -18.129 -13.890 673 HG SER 85 HG SER 85 3.639 -19.983 -15.261 674 H THR 86 H THR 86 0.249 -20.014 -13.564 675 HA THR 86 HA THR 86 -1.342 -18.755 -11.599 676 HB THR 86 HB THR 86 -0.306 -21.605 -11.695 677 HG1 THR 86 1HG THR 86 -1.985 -21.985 -13.082 678 1HG2 THR 86 1HG2 THR 86 -1.488 -21.117 -9.595 679 2HG2 THR 86 2HG2 THR 86 -2.828 -20.377 -10.492 680 3HG2 THR 86 3HG2 THR 86 -2.515 -22.122 -10.629 681 H VAL 87 H VAL 87 -0.517 -17.557 -10.064 682 HA VAL 87 HA VAL 87 2.072 -18.015 -8.703 683 HB VAL 87 HB VAL 87 -0.238 -16.023 -8.361 684 1HG1 VAL 87 1HG1 VAL 87 2.456 -16.134 -6.961 685 2HG1 VAL 87 2HG1 VAL 87 1.386 -14.708 -6.966 686 3HG1 VAL 87 3HG1 VAL 87 0.853 -16.199 -6.198 687 1HG2 VAL 87 1HG2 VAL 87 1.055 -15.691 -10.442 688 2HG2 VAL 87 2HG2 VAL 87 1.365 -14.384 -9.305 689 3HG2 VAL 87 3HG2 VAL 87 2.566 -15.681 -9.513 690 H GLU 88 H GLU 88 2.219 -18.573 -6.477 691 HA GLU 88 HA GLU 88 -0.085 -20.065 -5.319 692 1HB GLU 88 1HB GLU 88 2.920 -20.255 -5.190 693 2HB GLU 88 2HB GLU 88 2.021 -20.637 -3.719 694 1HG GLU 88 1HG GLU 88 1.172 -21.896 -6.336 695 2HG GLU 88 2HG GLU 88 2.602 -22.512 -5.489 696 H LEU 89 H LEU 89 -1.248 -18.257 -4.583 697 HA LEU 89 HA LEU 89 0.282 -16.113 -3.215 698 1HB LEU 89 1HB LEU 89 -1.042 -15.292 -4.984 699 2HB LEU 89 2HB LEU 89 -2.461 -16.197 -4.440 700 HG LEU 89 HG LEU 89 -2.662 -14.801 -2.427 701 1HD1 LEU 89 1HD1 LEU 89 -0.425 -13.036 -3.479 702 2HD1 LEU 89 2HD1 LEU 89 -1.461 -12.765 -2.065 703 3HD1 LEU 89 3HD1 LEU 89 -0.286 -14.078 -2.042 704 1HD2 LEU 89 1HD2 LEU 89 -2.977 -12.580 -3.702 705 2HD2 LEU 89 2HD2 LEU 89 -2.446 -13.459 -5.131 706 3HD2 LEU 89 3HD2 LEU 89 -3.864 -14.026 -4.201 707 H THR 90 H THR 90 0.279 -16.067 -1.029 708 HA THR 90 HA THR 90 -2.094 -17.104 0.437 709 HB THR 90 HB THR 90 0.844 -17.437 1.105 710 HG1 THR 90 1HG THR 90 0.314 -19.077 -0.136 711 1HG2 THR 90 1HG2 THR 90 0.110 -18.801 3.054 712 2HG2 THR 90 2HG2 THR 90 -0.128 -17.072 3.234 713 3HG2 THR 90 3HG2 THR 90 -1.524 -18.119 2.857 714 H ILE 91 H ILE 91 -2.132 -16.029 2.578 715 HA ILE 91 HA ILE 91 -1.005 -13.305 2.591 716 HB ILE 91 HB ILE 91 -3.827 -14.024 3.479 717 1HG1 ILE 91 1HG1 ILE 91 -3.084 -12.174 1.160 718 2HG1 ILE 91 2HG1 ILE 91 -3.469 -13.880 0.911 719 1HG2 ILE 91 1HG2 ILE 91 -4.023 -11.556 3.852 720 2HG2 ILE 91 2HG2 ILE 91 -2.730 -12.244 4.831 721 3HG2 ILE 91 3HG2 ILE 91 -2.332 -11.353 3.348 722 1HD1 ILE 91 1HD1 ILE 91 -5.404 -12.571 0.462 723 2HD1 ILE 91 2HD1 ILE 91 -5.664 -13.598 1.886 724 3HD1 ILE 91 3HD1 ILE 91 -5.367 -11.854 2.087 725 H VAL 92 H VAL 92 0.163 -13.112 4.452 726 HA VAL 92 HA VAL 92 -0.189 -15.127 6.611 727 HB VAL 92 HB VAL 92 2.169 -14.892 7.151 728 1HG1 VAL 92 1HG1 VAL 92 1.504 -16.745 5.653 729 2HG1 VAL 92 2HG1 VAL 92 1.855 -15.727 4.234 730 3HG1 VAL 92 3HG1 VAL 92 3.155 -16.196 5.342 731 1HG2 VAL 92 1HG2 VAL 92 2.778 -12.723 6.303 732 2HG2 VAL 92 2HG2 VAL 92 3.793 -13.909 5.499 733 3HG2 VAL 92 3HG2 VAL 92 2.428 -13.206 4.618 734 H GLU 93 H GLU 93 -0.063 -14.150 8.727 735 HA GLU 93 HA GLU 93 -0.644 -11.235 8.621 736 1HB GLU 93 1HB GLU 93 -1.123 -12.475 11.197 737 2HB GLU 93 2HB GLU 93 -2.131 -11.419 10.230 738 1HG GLU 93 1HG GLU 93 -1.846 -14.421 9.951 739 2HG GLU 93 2HG GLU 93 -3.156 -13.578 10.737 740 H ASP 94 H ASP 94 1.049 -10.032 9.134 741 HA ASP 94 HA ASP 94 3.262 -11.050 10.841 742 1HB ASP 94 1HB ASP 94 3.731 -11.246 8.399 743 2HB ASP 94 2HB ASP 94 3.483 -9.504 8.242 744 H ASP 95 H ASP 95 2.793 -9.907 12.590 745 HA ASP 95 HA ASP 95 1.377 -7.462 12.680 746 1HB ASP 95 1HB ASP 95 1.451 -9.089 14.538 747 2HB ASP 95 2HB ASP 95 3.158 -8.731 14.792 748 H ASN 96 H ASN 96 4.834 -8.001 13.406 749 HA ASN 96 HA ASN 96 5.658 -5.420 13.905 750 1HB ASN 96 1HB ASN 96 7.198 -7.162 14.303 751 2HB ASN 96 2HB ASN 96 6.998 -7.819 12.679 752 1HD2 ASN 96 1HD2 ASN 96 8.390 -4.868 14.366 753 2HD2 ASN 96 2HD2 ASN 96 9.581 -4.649 13.094 754 HA PRO 97 HA PRO 97 5.125 -3.587 9.821 755 1HB PRO 97 1HB PRO 97 5.893 -1.030 10.306 756 2HB PRO 97 2HB PRO 97 4.395 -1.752 10.962 757 1HG PRO 97 1HG PRO 97 7.082 -1.488 12.358 758 2HG PRO 97 2HG PRO 97 5.462 -1.008 12.971 759 1HD PRO 97 1HD PRO 97 6.604 -3.397 13.607 760 2HD PRO 97 2HD PRO 97 4.841 -3.234 13.364 761 H ALA 98 H ALA 98 6.997 -5.244 9.540 762 HA ALA 98 HA ALA 98 9.674 -4.561 9.429 763 1HB ALA 98 1HB ALA 98 9.967 -6.558 8.033 764 2HB ALA 98 2HB ALA 98 8.696 -6.906 9.219 765 3HB ALA 98 3HB ALA 98 8.269 -6.511 7.546 766 H VAL 99 H VAL 99 7.321 -4.124 7.071 767 HA VAL 99 HA VAL 99 9.127 -2.666 5.186 768 HB VAL 99 HB VAL 99 7.271 -4.972 4.568 769 1HG1 VAL 99 1HG1 VAL 99 7.875 -4.777 2.201 770 2HG1 VAL 99 2HG1 VAL 99 6.939 -3.416 2.760 771 3HG1 VAL 99 3HG1 VAL 99 8.698 -3.232 2.542 772 1HG2 VAL 99 1HG2 VAL 99 10.264 -4.682 4.110 773 2HG2 VAL 99 2HG2 VAL 99 9.470 -5.763 5.286 774 3HG2 VAL 99 3HG2 VAL 99 9.275 -6.053 3.568 775 H ARG 100 H ARG 100 7.985 -1.184 3.848 776 HA ARG 100 HA ARG 100 5.612 0.031 5.030 777 1HB ARG 100 1HB ARG 100 7.090 0.570 2.424 778 2HB ARG 100 2HB ARG 100 5.766 1.528 3.068 779 1HG ARG 100 1HG ARG 100 7.592 2.784 3.617 780 2HG ARG 100 2HG ARG 100 7.285 1.945 5.131 781 1HD ARG 100 1HD ARG 100 9.272 0.796 3.144 782 2HD ARG 100 2HD ARG 100 9.716 2.217 4.081 783 HE ARG 100 HE ARG 100 8.846 0.580 6.060 784 1HH1 ARG 100 2HH2 ARG 100 11.137 -0.104 3.395 785 2HH1 ARG 100 1HH2 ARG 100 12.135 -1.119 4.361 786 1HH2 ARG 100 2HH1 ARG 100 10.394 -0.431 7.380 787 2HH2 ARG 100 1HH1 ARG 100 11.698 -1.321 6.677 788 H THR 101 H THR 101 3.532 -0.670 4.574 789 HA THR 101 HA THR 101 3.063 -2.657 2.460 790 HB THR 101 HB THR 101 0.683 -2.302 3.192 791 HG1 THR 101 1HG THR 101 1.207 -1.001 5.472 792 1HG2 THR 101 1HG2 THR 101 2.624 -2.865 5.456 793 2HG2 THR 101 2HG2 THR 101 0.915 -3.338 5.393 794 3HG2 THR 101 3HG2 THR 101 2.068 -4.030 4.246 795 HA PRO 102 HA PRO 102 2.373 0.441 -0.631 796 1HB PRO 102 1HB PRO 102 0.138 -0.275 -2.049 797 2HB PRO 102 2HB PRO 102 1.707 -1.147 -2.141 798 1HG PRO 102 1HG PRO 102 -0.648 -1.822 -0.454 799 2HG PRO 102 2HG PRO 102 0.258 -2.911 -1.523 800 1HD PRO 102 1HD PRO 102 0.689 -2.760 1.165 801 2HD PRO 102 2HD PRO 102 2.078 -2.987 0.067 802 H LEU 103 H LEU 103 -0.174 -0.174 1.738 803 HA LEU 103 HA LEU 103 -1.586 2.327 1.299 804 1HB LEU 103 1HB LEU 103 -2.409 0.251 2.559 805 2HB LEU 103 2HB LEU 103 -1.449 0.767 3.924 806 HG LEU 103 HG LEU 103 -3.642 2.409 2.559 807 1HD1 LEU 103 1HD1 LEU 103 -4.517 0.363 3.665 808 2HD1 LEU 103 2HD1 LEU 103 -3.743 0.859 5.183 809 3HD1 LEU 103 3HD1 LEU 103 -5.049 1.835 4.475 810 1HD2 LEU 103 1HD2 LEU 103 -3.624 3.746 4.687 811 2HD2 LEU 103 2HD2 LEU 103 -2.142 2.898 5.173 812 3HD2 LEU 103 3HD2 LEU 103 -2.170 3.950 3.737 813 H GLU 104 H GLU 104 0.804 1.153 3.802 814 HA GLU 104 HA GLU 104 1.056 3.859 4.762 815 1HB GLU 104 1HB GLU 104 2.527 1.336 5.581 816 2HB GLU 104 2HB GLU 104 2.658 2.915 6.375 817 1HG GLU 104 1HG GLU 104 0.004 2.850 6.364 818 2HG GLU 104 2HG GLU 104 0.208 1.122 6.151 819 H TRP 105 H TRP 105 2.671 2.220 2.187 820 HA TRP 105 HA TRP 105 5.016 3.836 2.039 821 1HB TRP 105 1HB TRP 105 3.372 2.228 0.101 822 2HB TRP 105 2HB TRP 105 4.284 3.535 -0.594 823 HD1 TRP 105 HD TRP 105 4.706 0.069 -0.220 824 HE1 TRP 105 1HE TRP 105 7.153 -0.604 -0.473 825 HE3 TRP 105 3HE TRP 105 6.861 4.628 0.584 826 HZ2 TRP 105 2HZ TRP 105 9.752 0.681 -0.313 827 HZ3 TRP 105 3HZ TRP 105 9.333 4.881 0.530 828 HH2 TRP 105 HH TRP 105 10.780 2.913 0.091 829 H ARG 106 H ARG 106 1.617 4.336 0.985 830 HA ARG 106 HA ARG 106 2.115 6.885 -0.281 831 1HB ARG 106 1HB ARG 106 0.115 5.199 -0.445 832 2HB ARG 106 2HB ARG 106 -0.506 6.051 0.983 833 1HG ARG 106 1HG ARG 106 -0.575 8.148 -0.253 834 2HG ARG 106 2HG ARG 106 0.347 7.444 -1.583 835 1HD ARG 106 1HD ARG 106 -1.714 7.444 -2.471 836 2HD ARG 106 2HD ARG 106 -1.702 5.799 -1.851 837 HE ARG 106 HE ARG 106 -3.369 8.020 -1.417 838 1HH1 ARG 106 2HH2 ARG 106 -2.507 4.882 0.043 839 2HH1 ARG 106 1HH2 ARG 106 -3.163 5.259 1.613 840 1HH2 ARG 106 2HH1 ARG 106 -4.245 8.436 0.888 841 2HH2 ARG 106 1HH1 ARG 106 -4.545 7.056 1.865 842 H GLN 107 H GLN 107 1.605 5.865 3.002 843 HA GLN 107 HA GLN 107 1.221 8.588 3.988 844 1HB GLN 107 1HB GLN 107 0.313 6.564 5.150 845 2HB GLN 107 2HB GLN 107 1.962 6.082 5.556 846 1HG GLN 107 1HG GLN 107 0.805 7.229 7.412 847 2HG GLN 107 2HG GLN 107 2.290 8.030 6.907 848 1HE2 GLN 107 1HE2 GLN 107 1.822 10.072 7.593 849 2HE2 GLN 107 2HE2 GLN 107 0.528 11.085 7.020 850 H ALA 108 H ALA 108 4.004 6.336 3.639 851 HA ALA 108 HA ALA 108 5.941 8.076 4.787 852 1HB ALA 108 1HB ALA 108 6.322 5.656 4.395 853 2HB ALA 108 2HB ALA 108 6.307 5.935 2.639 854 3HB ALA 108 3HB ALA 108 7.576 6.660 3.642 855 H ILE 109 H ILE 109 4.893 7.640 1.383 856 HA ILE 109 HA ILE 109 6.621 9.629 0.285 857 HB ILE 109 HB ILE 109 4.212 8.121 -0.657 858 1HG1 ILE 109 1HG1 ILE 109 5.826 7.978 -2.744 859 2HG1 ILE 109 2HG1 ILE 109 7.042 8.629 -1.659 860 1HG2 ILE 109 1HG2 ILE 109 5.150 10.520 -2.242 861 2HG2 ILE 109 2HG2 ILE 109 3.992 9.261 -2.756 862 3HG2 ILE 109 3HG2 ILE 109 3.579 10.320 -1.427 863 1HD1 ILE 109 1HD1 ILE 109 7.032 6.148 -1.864 864 2HD1 ILE 109 2HD1 ILE 109 6.759 6.701 -0.187 865 3HD1 ILE 109 3HD1 ILE 109 5.402 6.110 -1.183 866 H TYR 110 H TYR 110 3.734 10.032 2.182 867 HA TYR 110 HA TYR 110 3.341 12.833 1.346 868 1HB TYR 110 1HB TYR 110 1.465 11.411 2.187 869 2HB TYR 110 2HB TYR 110 2.237 11.318 3.753 870 HD1 TYR 110 HD1 TYR 110 2.139 13.138 5.338 871 HD2 TYR 110 HD2 TYR 110 0.676 13.651 1.305 872 HE1 TYR 110 HE1 TYR 110 0.996 15.221 6.017 873 HE2 TYR 110 HE2 TYR 110 -0.497 15.717 1.982 874 HH TYR 110 HH TYR 110 0.167 17.489 4.282 875 H GLU 111 H GLU 111 4.626 11.057 4.201 876 HA GLU 111 HA GLU 111 5.488 13.457 5.575 877 1HB GLU 111 1HB GLU 111 4.907 11.153 6.554 878 2HB GLU 111 2HB GLU 111 6.506 10.622 6.007 879 1HG GLU 111 1HG GLU 111 7.582 12.392 7.332 880 2HG GLU 111 2HG GLU 111 6.019 13.079 7.767 881 H GLU 112 H GLU 112 7.018 11.439 3.013 882 HA GLU 112 HA GLU 112 9.650 12.208 3.354 883 1HB GLU 112 1HB GLU 112 7.854 11.520 1.028 884 2HB GLU 112 2HB GLU 112 9.483 12.057 0.730 885 1HG GLU 112 1HG GLU 112 8.940 9.749 2.627 886 2HG GLU 112 2HG GLU 112 9.084 9.523 0.883 887 H LYS 113 H LYS 113 6.879 14.068 2.050 888 HA LYS 113 HA LYS 113 8.484 16.242 1.120 889 1HB LYS 113 1HB LYS 113 5.960 15.592 0.605 890 2HB LYS 113 2HB LYS 113 5.612 16.567 2.035 891 1HG LYS 113 1HG LYS 113 5.372 18.018 0.150 892 2HG LYS 113 2HG LYS 113 6.895 18.468 0.922 893 1HD LYS 113 1HD LYS 113 7.956 16.752 -0.805 894 2HD LYS 113 2HD LYS 113 6.423 16.947 -1.653 895 1HE LYS 113 1HE LYS 113 6.851 19.197 -2.153 896 2HE LYS 113 2HE LYS 113 7.929 19.398 -0.759 897 1HZ LYS 113 1HZ LYS 113 8.668 17.837 -3.168 898 2HZ LYS 113 2HZ LYS 113 9.173 19.374 -2.771 899 3HZ LYS 113 3HZ LYS 113 9.580 18.097 -1.848 900 H LEU 114 H LEU 114 7.538 15.321 4.267 901 HA LEU 114 HA LEU 114 8.043 17.990 5.537 902 1HB LEU 114 1HB LEU 114 6.891 15.294 6.453 903 2HB LEU 114 2HB LEU 114 7.546 16.397 7.603 904 HG LEU 114 HG LEU 114 5.903 18.143 6.860 905 1HD1 LEU 114 1HD1 LEU 114 5.344 17.410 4.595 906 2HD1 LEU 114 2HD1 LEU 114 4.751 15.845 5.205 907 3HD1 LEU 114 3HD1 LEU 114 3.893 17.355 5.589 908 1HD2 LEU 114 1HD2 LEU 114 4.750 15.467 7.768 909 2HD2 LEU 114 2HD2 LEU 114 5.491 16.705 8.812 910 3HD2 LEU 114 3HD2 LEU 114 3.984 17.058 7.959 911 H ALA 115 H ALA 115 9.282 14.670 5.154 912 HA ALA 115 HA ALA 115 11.365 14.905 7.050 913 1HB ALA 115 1HB ALA 115 11.165 13.043 4.640 914 2HB ALA 115 2HB ALA 115 12.178 12.826 6.068 915 3HB ALA 115 3HB ALA 115 10.413 12.736 6.229 916 H GLN 116 H GLN 116 11.195 15.485 3.517 917 HA GLN 116 HA GLN 116 13.931 15.757 2.968 918 1HB GLN 116 1HB GLN 116 13.310 17.224 1.097 919 2HB GLN 116 2HB GLN 116 12.329 15.765 1.153 920 1HG GLN 116 1HG GLN 116 10.409 16.933 1.815 921 2HG GLN 116 2HG GLN 116 11.276 18.351 2.357 922 1HE2 GLN 116 1HE2 GLN 116 10.992 20.094 1.099 923 2HE2 GLN 116 2HE2 GLN 116 10.796 20.081 -0.633 924 H ALA 117 H ALA 117 11.733 17.964 4.506 925 HA ALA 117 HA ALA 117 13.248 20.364 4.300 926 1HB ALA 117 1HB ALA 117 11.733 21.169 6.074 927 2HB ALA 117 2HB ALA 117 10.798 20.198 4.907 928 3HB ALA 117 3HB ALA 117 11.262 19.528 6.472 929 H ARG 118 H ARG 118 13.058 17.931 6.933 930 HA ARG 118 HA ARG 118 15.173 19.240 8.454 931 1HB ARG 118 1HB ARG 118 13.297 17.956 9.471 932 2HB ARG 118 2HB ARG 118 13.922 16.462 8.772 933 1HG ARG 118 1HG ARG 118 15.667 18.225 10.513 934 2HG ARG 118 2HG ARG 118 14.470 17.165 11.258 935 1HD ARG 118 1HD ARG 118 15.533 15.221 10.665 936 2HD ARG 118 2HD ARG 118 16.395 15.926 9.296 937 HE ARG 118 HE ARG 118 17.610 17.320 11.083 938 1HH1 ARG 118 2HH2 ARG 118 16.873 13.855 11.448 939 2HH1 ARG 118 1HH2 ARG 118 17.942 13.652 12.796 940 1HH2 ARG 118 2HH1 ARG 118 19.102 17.040 12.591 941 2HH2 ARG 118 1HH1 ARG 118 19.368 15.502 13.398 942 H GLU 119 H GLU 119 14.924 16.436 6.251 943 HA GLU 119 HA GLU 119 17.548 15.476 6.603 944 1HB GLU 119 1HB GLU 119 15.444 14.437 5.482 945 2HB GLU 119 2HB GLU 119 16.005 15.207 4.001 946 1HG GLU 119 1HG GLU 119 17.635 13.293 5.752 947 2HG GLU 119 2HG GLU 119 16.611 12.761 4.427 948 H SER 120 H SER 120 16.345 18.216 4.713 949 HA SER 120 HA SER 120 18.378 18.757 2.946 950 1HB SER 120 1HB SER 120 16.223 20.029 3.445 951 2HB SER 120 2HB SER 120 17.055 20.756 4.826 952 HG SER 120 HG SER 120 17.647 20.988 2.056 953 H ILE 121 H ILE 121 18.391 19.266 6.502 954 HA ILE 121 HA ILE 121 20.844 20.757 6.552 955 HB ILE 121 HB ILE 121 19.388 19.190 8.732 956 1HG1 ILE 121 1HG1 ILE 121 19.244 22.196 8.211 957 2HG1 ILE 121 2HG1 ILE 121 18.067 21.077 7.543 958 1HG2 ILE 121 1HG2 ILE 121 21.522 21.360 8.958 959 2HG2 ILE 121 2HG2 ILE 121 20.584 20.744 10.328 960 3HG2 ILE 121 3HG2 ILE 121 21.672 19.667 9.467 961 1HD1 ILE 121 1HD1 ILE 121 18.517 21.537 10.503 962 2HD1 ILE 121 2HD1 ILE 121 17.140 22.039 9.517 963 3HD1 ILE 121 3HD1 ILE 121 17.428 20.313 9.796 964 H ILE 122 H ILE 122 20.143 17.344 6.301 965 HA ILE 122 HA ILE 122 22.851 16.492 7.125 966 HB ILE 122 HB ILE 122 20.314 14.977 6.355 967 1HG1 ILE 122 1HG1 ILE 122 20.735 13.943 8.649 968 2HG1 ILE 122 2HG1 ILE 122 21.941 15.194 8.928 969 1HG2 ILE 122 1HG2 ILE 122 21.597 12.900 6.852 970 2HG2 ILE 122 2HG2 ILE 122 22.147 13.727 5.410 971 3HG2 ILE 122 3HG2 ILE 122 23.089 13.868 6.917 972 1HD1 ILE 122 1HD1 ILE 122 18.993 15.729 8.371 973 2HD1 ILE 122 2HD1 ILE 122 19.719 15.571 9.981 974 3HD1 ILE 122 3HD1 ILE 122 20.208 16.905 8.945 975 H ALA 123 H ALA 123 20.665 16.412 4.257 976 HA ALA 123 HA ALA 123 22.349 15.493 2.297 977 1HB ALA 123 1HB ALA 123 20.315 17.744 2.022 978 2HB ALA 123 2HB ALA 123 20.883 16.658 0.742 979 3HB ALA 123 3HB ALA 123 19.918 16.016 2.094 980 H ASP 124 H ASP 124 22.088 18.873 3.440 981 HA ASP 124 HA ASP 124 23.794 19.979 1.487 982 1HB ASP 124 1HB ASP 124 22.789 20.909 4.182 983 2HB ASP 124 2HB ASP 124 24.018 21.837 3.333 984 H ASN 125 H ASN 125 24.672 18.119 4.239 985 HA ASN 125 HA ASN 125 26.640 17.903 5.452 986 1HB ASN 125 1HB ASN 125 27.201 17.116 2.578 987 2HB ASN 125 2HB ASN 125 28.360 16.825 3.850 988 1HD2 ASN 125 1HD2 ASN 125 26.517 15.927 6.038 989 2HD2 ASN 125 2HD2 ASN 125 25.996 14.374 5.446 990 H ASN 126 H ASN 126 27.121 20.041 6.109 991 HA ASN 126 HA ASN 126 28.739 21.902 4.708 992 1HB ASN 126 1HB ASN 126 27.435 22.269 6.826 993 2HB ASN 126 2HB ASN 126 28.669 21.400 7.716 994 1HD2 ASN 126 1HD2 ASN 126 30.855 22.901 5.846 995 2HD2 ASN 126 2HD2 ASN 126 30.832 24.479 6.622 996 H ILE 127 H ILE 127 29.656 19.069 6.625 997 HA ILE 127 HA ILE 127 32.414 19.204 5.497 998 HB ILE 127 HB ILE 127 31.661 18.254 8.303 999 1HG1 ILE 127 1HG1 ILE 127 33.645 20.086 8.699 1000 2HG1 ILE 127 2HG1 ILE 127 32.918 20.793 7.264 1001 1HG2 ILE 127 1HG2 ILE 127 34.072 17.832 8.592 1002 2HG2 ILE 127 2HG2 ILE 127 33.416 16.833 7.300 1003 3HG2 ILE 127 3HG2 ILE 127 34.368 18.279 6.901 1004 1HD1 ILE 127 1HD1 ILE 127 31.529 20.137 9.907 1005 2HD1 ILE 127 2HD1 ILE 127 31.969 21.751 9.311 1006 3HD1 ILE 127 3HD1 ILE 127 30.708 20.818 8.490 1007 H GLN 128 H GLN 128 30.068 17.083 7.142 1008 HA GLN 128 HA GLN 128 28.762 15.623 5.764 1009 1HB GLN 128 1HB GLN 128 30.346 15.125 4.010 1010 2HB GLN 128 2HB GLN 128 31.370 14.216 5.138 1011 1HG GLN 128 1HG GLN 128 29.876 12.436 5.195 1012 2HG GLN 128 2HG GLN 128 28.459 13.443 4.896 1013 1HE2 GLN 128 1HE2 GLN 128 27.624 13.456 2.771 1014 2HE2 GLN 128 2HE2 GLN 128 28.419 12.614 1.457 Start of MODEL 6 1 1H MET 1 H MET 1 -24.035 15.531 -3.712 2 HA MET 1 HA MET 1 -24.748 16.557 -1.775 3 1HB MET 1 1HB MET 1 -27.022 15.023 -3.078 4 2HB MET 1 2HB MET 1 -27.214 16.382 -1.953 5 1HG MET 1 1HG MET 1 -25.863 17.816 -3.452 6 2HG MET 1 2HG MET 1 -25.755 16.489 -4.617 7 1HE MET 1 1HE MET 1 -26.675 19.420 -5.344 8 2HE MET 1 2HE MET 1 -26.576 18.090 -6.519 9 3HE MET 1 3HE MET 1 -28.051 19.079 -6.416 10 H LYS 2 H LYS 2 -25.966 13.090 -1.609 11 HA LYS 2 HA LYS 2 -25.834 13.088 1.302 12 1HB LYS 2 1HB LYS 2 -27.068 11.293 0.239 13 2HB LYS 2 2HB LYS 2 -25.690 10.856 -0.778 14 1HG LYS 2 1HG LYS 2 -24.390 10.243 1.261 15 2HG LYS 2 2HG LYS 2 -25.776 10.630 2.269 16 1HD LYS 2 1HD LYS 2 -25.831 8.526 0.054 17 2HD LYS 2 2HD LYS 2 -25.279 8.197 1.696 18 1HE LYS 2 1HE LYS 2 -27.536 9.139 2.504 19 2HE LYS 2 2HE LYS 2 -28.074 9.008 0.817 20 1HZ LYS 2 1HZ LYS 2 -28.607 6.988 2.063 21 2HZ LYS 2 2HZ LYS 2 -27.457 6.641 0.947 22 3HZ LYS 2 3HZ LYS 2 -27.051 6.837 2.545 23 H ALA 3 H ALA 3 -23.632 11.566 -1.140 24 HA ALA 3 HA ALA 3 -21.323 11.798 0.546 25 1HB ALA 3 1HB ALA 3 -21.569 11.517 -2.493 26 2HB ALA 3 2HB ALA 3 -20.082 11.304 -1.549 27 3HB ALA 3 3HB ALA 3 -21.436 10.182 -1.323 28 H LEU 4 H LEU 4 -20.235 13.709 1.036 29 HA LEU 4 HA LEU 4 -20.191 15.969 -0.744 30 1HB LEU 4 1HB LEU 4 -22.444 16.030 0.566 31 2HB LEU 4 2HB LEU 4 -21.490 16.253 2.008 32 HG LEU 4 HG LEU 4 -22.288 18.370 1.281 33 1HD1 LEU 4 1HD1 LEU 4 -19.912 18.401 2.074 34 2HD1 LEU 4 2HD1 LEU 4 -19.384 18.387 0.371 35 3HD1 LEU 4 3HD1 LEU 4 -20.337 19.736 0.998 36 1HD2 LEU 4 1HD2 LEU 4 -21.046 17.894 -1.458 37 2HD2 LEU 4 2HD2 LEU 4 -22.778 17.792 -1.057 38 3HD2 LEU 4 3HD2 LEU 4 -21.925 19.336 -0.924 39 H GLU 5 H GLU 5 -18.037 15.961 -0.625 40 HA GLU 5 HA GLU 5 -15.873 16.101 0.171 41 1HB GLU 5 1HB GLU 5 -16.874 18.233 0.838 42 2HB GLU 5 2HB GLU 5 -17.307 17.539 2.402 43 1HG GLU 5 1HG GLU 5 -15.428 18.877 2.782 44 2HG GLU 5 2HG GLU 5 -14.828 17.231 2.872 45 H HIS 6 H HIS 6 -16.494 13.858 0.322 46 HA HIS 6 HA HIS 6 -15.980 12.637 3.003 47 1HB HIS 6 1HB HIS 6 -18.130 12.091 1.785 48 2HB HIS 6 2HB HIS 6 -17.161 11.297 0.531 49 HD1 HIS 6 HD1 HIS 6 -16.532 8.731 1.074 50 HD2 HIS 6 HD2 HIS 6 -17.587 11.119 4.427 51 HE1 HIS 6 HE1 HIS 6 -16.348 7.259 3.117 52 HE2 HIS 6 HE2 HIS 6 -16.941 8.728 5.173 53 H GLU 7 H GLU 7 -14.166 13.496 0.380 54 HA GLU 7 HA GLU 7 -12.250 11.284 0.785 55 1HB GLU 7 1HB GLU 7 -14.035 10.962 -1.162 56 2HB GLU 7 2HB GLU 7 -13.026 12.124 -2.021 57 1HG GLU 7 1HG GLU 7 -11.077 10.560 -1.681 58 2HG GLU 7 2HG GLU 7 -12.133 9.464 -0.795 59 H LYS 8 H LYS 8 -12.373 14.132 1.523 60 HA LYS 8 HA LYS 8 -11.541 16.236 0.410 61 1HB LYS 8 1HB LYS 8 -10.048 15.011 2.733 62 2HB LYS 8 2HB LYS 8 -9.661 16.617 2.105 63 1HG LYS 8 1HG LYS 8 -12.068 17.246 2.304 64 2HG LYS 8 2HG LYS 8 -12.379 15.751 3.172 65 1HD LYS 8 1HD LYS 8 -10.830 16.441 4.946 66 2HD LYS 8 2HD LYS 8 -10.382 17.899 4.039 67 1HE LYS 8 1HE LYS 8 -13.240 17.288 4.874 68 2HE LYS 8 2HE LYS 8 -12.118 18.186 5.901 69 1HZ LYS 8 1HZ LYS 8 -11.958 19.889 4.283 70 2HZ LYS 8 2HZ LYS 8 -12.839 19.070 3.157 71 3HZ LYS 8 3HZ LYS 8 -13.560 19.571 4.543 72 H THR 9 H THR 9 -10.605 16.802 -1.308 73 HA THR 9 HA THR 9 -9.497 16.724 -3.161 74 HB THR 9 HB THR 9 -7.185 17.331 -3.030 75 HG1 THR 9 1HG THR 9 -6.686 16.061 -1.202 76 1HG2 THR 9 1HG2 THR 9 -7.483 19.454 -1.862 77 2HG2 THR 9 2HG2 THR 9 -8.997 19.025 -2.677 78 3HG2 THR 9 3HG2 THR 9 -8.833 18.802 -0.919 79 HA PRO 10 HA PRO 10 -8.331 12.279 -3.167 80 1HB PRO 10 1HB PRO 10 -9.850 11.455 -5.275 81 2HB PRO 10 2HB PRO 10 -10.465 11.565 -3.600 82 1HG PRO 10 1HG PRO 10 -10.747 13.591 -5.831 83 2HG PRO 10 2HG PRO 10 -12.022 12.943 -4.746 84 1HD PRO 10 1HD PRO 10 -10.775 15.327 -4.275 85 2HD PRO 10 2HD PRO 10 -11.264 14.262 -2.935 86 H GLU 11 H GLU 11 -8.182 15.009 -5.365 87 HA GLU 11 HA GLU 11 -6.666 13.684 -7.454 88 1HB GLU 11 1HB GLU 11 -6.810 16.586 -6.528 89 2HB GLU 11 2HB GLU 11 -5.849 16.042 -7.904 90 1HG GLU 11 1HG GLU 11 -8.871 15.691 -7.696 91 2HG GLU 11 2HG GLU 11 -8.059 16.996 -8.564 92 H LEU 12 H LEU 12 -5.730 15.665 -4.561 93 HA LEU 12 HA LEU 12 -2.952 15.069 -5.056 94 1HB LEU 12 1HB LEU 12 -3.595 17.109 -3.867 95 2HB LEU 12 2HB LEU 12 -4.099 16.154 -2.466 96 HG LEU 12 HG LEU 12 -1.380 15.434 -3.491 97 1HD1 LEU 12 1HD1 LEU 12 -1.724 18.215 -2.395 98 2HD1 LEU 12 2HD1 LEU 12 -0.197 17.377 -2.788 99 3HD1 LEU 12 3HD1 LEU 12 -1.337 17.772 -4.077 100 1HD2 LEU 12 1HD2 LEU 12 -2.311 16.310 -0.730 101 2HD2 LEU 12 2HD2 LEU 12 -2.213 14.635 -1.299 102 3HD2 LEU 12 3HD2 LEU 12 -0.739 15.598 -1.137 103 H ALA 13 H ALA 13 -5.514 13.617 -3.022 104 HA ALA 13 HA ALA 13 -3.734 11.904 -1.570 105 1HB ALA 13 1HB ALA 13 -6.181 12.459 -1.057 106 2HB ALA 13 2HB ALA 13 -6.604 11.299 -2.341 107 3HB ALA 13 3HB ALA 13 -5.722 10.760 -0.898 108 H ALA 14 H ALA 14 -5.153 11.681 -4.803 109 HA ALA 14 HA ALA 14 -4.169 8.939 -5.211 110 1HB ALA 14 1HB ALA 14 -6.230 9.596 -6.266 111 2HB ALA 14 2HB ALA 14 -5.408 10.932 -7.120 112 3HB ALA 14 3HB ALA 14 -4.986 9.246 -7.485 113 H LYS 15 H LYS 15 -3.060 12.278 -5.897 114 HA LYS 15 HA LYS 15 -0.813 11.477 -7.540 115 1HB LYS 15 1HB LYS 15 -1.441 13.914 -5.838 116 2HB LYS 15 2HB LYS 15 0.105 13.787 -6.602 117 1HG LYS 15 1HG LYS 15 -2.559 13.743 -8.103 118 2HG LYS 15 2HG LYS 15 -1.497 15.143 -7.907 119 1HD LYS 15 1HD LYS 15 0.331 13.823 -9.040 120 2HD LYS 15 2HD LYS 15 -0.864 12.560 -9.404 121 1HE LYS 15 1HE LYS 15 -2.271 14.216 -10.592 122 2HE LYS 15 2HE LYS 15 -1.061 15.470 -10.274 123 1HZ LYS 15 1HZ LYS 15 -0.819 14.511 -12.481 124 2HZ LYS 15 2HZ LYS 15 0.523 14.148 -11.576 125 3HZ LYS 15 3HZ LYS 15 -0.622 13.020 -11.882 126 H LEU 16 H LEU 16 -1.304 11.933 -4.068 127 HA LEU 16 HA LEU 16 1.287 11.237 -3.167 128 1HB LEU 16 1HB LEU 16 -0.513 12.305 -1.800 129 2HB LEU 16 2HB LEU 16 -1.468 10.829 -1.917 130 HG LEU 16 HG LEU 16 0.379 9.608 -0.693 131 1HD1 LEU 16 1HD1 LEU 16 1.427 12.433 -0.192 132 2HD1 LEU 16 2HD1 LEU 16 2.024 10.914 0.519 133 3HD1 LEU 16 3HD1 LEU 16 2.215 11.210 -1.201 134 1HD2 LEU 16 1HD2 LEU 16 -0.949 11.974 0.705 135 2HD2 LEU 16 2HD2 LEU 16 -1.673 10.377 0.427 136 3HD2 LEU 16 3HD2 LEU 16 -0.284 10.534 1.507 137 H ALA 17 H ALA 17 -1.645 9.237 -3.860 138 HA ALA 17 HA ALA 17 -0.475 6.747 -3.301 139 1HB ALA 17 1HB ALA 17 -2.252 5.758 -4.598 140 2HB ALA 17 2HB ALA 17 -2.941 7.155 -3.751 141 3HB ALA 17 3HB ALA 17 -2.547 7.247 -5.481 142 H ALA 18 H ALA 18 -0.430 8.717 -6.297 143 HA ALA 18 HA ALA 18 0.903 6.855 -7.951 144 1HB ALA 18 1HB ALA 18 1.009 9.878 -8.218 145 2HB ALA 18 2HB ALA 18 1.217 8.654 -9.474 146 3HB ALA 18 3HB ALA 18 -0.371 8.877 -8.733 147 H GLU 19 H GLU 19 2.187 9.290 -5.656 148 HA GLU 19 HA GLU 19 4.969 8.935 -6.397 149 1HB GLU 19 1HB GLU 19 3.568 9.903 -3.868 150 2HB GLU 19 2HB GLU 19 5.329 9.833 -4.024 151 1HG GLU 19 1HG GLU 19 3.442 11.492 -5.727 152 2HG GLU 19 2HG GLU 19 4.458 12.077 -4.409 153 H ALA 20 H ALA 20 2.846 7.474 -3.901 154 HA ALA 20 HA ALA 20 4.804 5.683 -2.839 155 1HB ALA 20 1HB ALA 20 2.776 6.148 -1.633 156 2HB ALA 20 2HB ALA 20 1.759 5.538 -2.949 157 3HB ALA 20 3HB ALA 20 2.775 4.416 -2.035 158 H ILE 21 H ILE 21 2.668 5.438 -5.644 159 HA ILE 21 HA ILE 21 3.393 2.714 -6.263 160 HB ILE 21 HB ILE 21 2.013 5.069 -7.600 161 1HG1 ILE 21 1HG1 ILE 21 0.949 2.275 -7.106 162 2HG1 ILE 21 2HG1 ILE 21 0.900 3.537 -5.889 163 1HG2 ILE 21 1HG2 ILE 21 2.544 2.540 -9.144 164 2HG2 ILE 21 2HG2 ILE 21 1.416 3.821 -9.623 165 3HG2 ILE 21 3HG2 ILE 21 3.135 4.162 -9.521 166 1HD1 ILE 21 1HD1 ILE 21 -0.565 3.464 -8.530 167 2HD1 ILE 21 2HD1 ILE 21 -1.220 3.615 -6.886 168 3HD1 ILE 21 3HD1 ILE 21 -0.364 4.976 -7.614 169 H GLU 22 H GLU 22 4.648 5.917 -7.271 170 HA GLU 22 HA GLU 22 6.367 4.861 -9.239 171 1HB GLU 22 1HB GLU 22 5.737 7.266 -9.052 172 2HB GLU 22 2HB GLU 22 6.639 7.382 -7.541 173 1HG GLU 22 1HG GLU 22 8.014 8.328 -9.208 174 2HG GLU 22 2HG GLU 22 8.732 6.760 -8.839 175 H ARG 23 H ARG 23 6.784 5.321 -5.670 176 HA ARG 23 HA ARG 23 9.425 4.338 -5.552 177 1HB ARG 23 1HB ARG 23 8.193 5.872 -3.982 178 2HB ARG 23 2HB ARG 23 7.093 4.568 -3.581 179 1HG ARG 23 1HG ARG 23 8.446 4.025 -1.930 180 2HG ARG 23 2HG ARG 23 9.615 3.403 -3.091 181 1HD ARG 23 1HD ARG 23 9.454 6.291 -2.130 182 2HD ARG 23 2HD ARG 23 10.498 5.038 -1.496 183 HE ARG 23 HE ARG 23 11.171 5.033 -4.154 184 1HH1 ARG 23 2HH2 ARG 23 11.113 7.563 -1.636 185 2HH1 ARG 23 1HH2 ARG 23 11.977 8.704 -2.621 186 1HH2 ARG 23 2HH1 ARG 23 12.618 6.353 -5.204 187 2HH2 ARG 23 1HH1 ARG 23 13.087 7.916 -4.560 188 H ASP 24 H ASP 24 6.197 2.861 -4.773 189 HA ASP 24 HA ASP 24 7.491 0.314 -4.229 190 1HB ASP 24 1HB ASP 24 5.807 1.359 -2.693 191 2HB ASP 24 2HB ASP 24 4.592 1.037 -3.870 192 HA PRO 25 HA PRO 25 6.013 -1.056 -8.307 193 1HB PRO 25 1HB PRO 25 7.237 -3.530 -8.305 194 2HB PRO 25 2HB PRO 25 8.033 -2.004 -8.798 195 1HG PRO 25 1HG PRO 25 8.107 -3.354 -6.088 196 2HG PRO 25 2HG PRO 25 9.492 -2.719 -7.048 197 1HD PRO 25 1HD PRO 25 8.394 -1.329 -5.032 198 2HD PRO 25 2HD PRO 25 8.892 -0.483 -6.533 199 H TRP 26 H TRP 26 5.634 -2.666 -5.064 200 HA TRP 26 HA TRP 26 3.610 -4.470 -6.164 201 1HB TRP 26 1HB TRP 26 4.614 -5.190 -4.130 202 2HB TRP 26 2HB TRP 26 4.212 -3.677 -3.324 203 HD1 TRP 26 HD TRP 26 2.208 -3.693 -1.915 204 HE1 TRP 26 1HE TRP 26 0.036 -5.011 -1.616 205 HE3 TRP 26 3HE TRP 26 2.754 -6.930 -5.809 206 HZ2 TRP 26 2HZ TRP 26 -1.304 -7.195 -2.970 207 HZ3 TRP 26 3HZ TRP 26 1.043 -8.717 -6.239 208 HH2 TRP 26 HH TRP 26 -0.998 -8.807 -4.858 209 H ALA 27 H ALA 27 3.434 -1.273 -4.373 210 HA ALA 27 HA ALA 27 0.671 -0.945 -4.557 211 1HB ALA 27 1HB ALA 27 2.719 1.238 -5.063 212 2HB ALA 27 2HB ALA 27 1.062 1.457 -4.478 213 3HB ALA 27 3HB ALA 27 2.291 0.687 -3.457 214 H ALA 28 H ALA 28 3.134 -0.342 -7.082 215 HA ALA 28 HA ALA 28 1.343 0.668 -9.075 216 1HB ALA 28 1HB ALA 28 3.178 0.251 -10.617 217 2HB ALA 28 2HB ALA 28 3.915 0.780 -9.091 218 3HB ALA 28 3HB ALA 28 3.916 -0.932 -9.530 219 H GLN 29 H GLN 29 2.471 -2.646 -8.291 220 HA GLN 29 HA GLN 29 1.000 -3.965 -10.352 221 1HB GLN 29 1HB GLN 29 2.098 -4.933 -7.690 222 2HB GLN 29 2HB GLN 29 1.185 -5.983 -8.754 223 1HG GLN 29 1HG GLN 29 2.751 -5.638 -10.574 224 2HG GLN 29 2HG GLN 29 3.694 -4.504 -9.629 225 1HE2 GLN 29 1HE2 GLN 29 4.540 -7.030 -10.871 226 2HE2 GLN 29 2HE2 GLN 29 5.223 -7.989 -9.555 227 H VAL 30 H VAL 30 0.046 -3.138 -6.948 228 HA VAL 30 HA VAL 30 -2.510 -4.405 -7.104 229 HB VAL 30 HB VAL 30 -1.682 -1.978 -5.421 230 1HG1 VAL 30 1HG1 VAL 30 -3.532 -2.583 -3.918 231 2HG1 VAL 30 2HG1 VAL 30 -4.186 -2.284 -5.522 232 3HG1 VAL 30 3HG1 VAL 30 -3.964 -3.950 -4.964 233 1HG2 VAL 30 1HG2 VAL 30 -1.699 -4.954 -4.771 234 2HG2 VAL 30 2HG2 VAL 30 -0.282 -3.906 -4.847 235 3HG2 VAL 30 3HG2 VAL 30 -1.456 -3.656 -3.575 236 H SER 31 H SER 31 -1.452 -1.106 -7.916 237 HA SER 31 HA SER 31 -4.080 -0.181 -8.546 238 1HB SER 31 1HB SER 31 -1.317 0.842 -9.319 239 2HB SER 31 2HB SER 31 -2.827 1.763 -9.436 240 HG SER 31 HG SER 31 -1.412 0.862 -7.173 241 H GLN 32 H GLN 32 -1.735 -2.075 -10.331 242 HA GLN 32 HA GLN 32 -3.107 -1.695 -12.893 243 1HB GLN 32 1HB GLN 32 -0.704 -2.119 -12.810 244 2HB GLN 32 2HB GLN 32 -0.952 -3.665 -11.990 245 1HG GLN 32 1HG GLN 32 -2.066 -4.592 -13.916 246 2HG GLN 32 2HG GLN 32 -2.111 -3.013 -14.712 247 1HE2 GLN 32 1HE2 GLN 32 0.112 -5.605 -13.607 248 2HE2 GLN 32 2HE2 GLN 32 1.388 -5.265 -14.727 249 H LEU 33 H LEU 33 -3.029 -4.056 -10.209 250 HA LEU 33 HA LEU 33 -4.637 -6.090 -11.379 251 1HB LEU 33 1HB LEU 33 -4.271 -5.260 -8.456 252 2HB LEU 33 2HB LEU 33 -5.273 -6.611 -8.948 253 HG LEU 33 HG LEU 33 -2.271 -6.387 -9.074 254 1HD1 LEU 33 1HD1 LEU 33 -3.323 -7.196 -6.989 255 2HD1 LEU 33 2HD1 LEU 33 -4.195 -8.448 -7.898 256 3HD1 LEU 33 3HD1 LEU 33 -2.420 -8.477 -7.793 257 1HD2 LEU 33 1HD2 LEU 33 -2.739 -7.232 -11.196 258 2HD2 LEU 33 2HD2 LEU 33 -2.448 -8.660 -10.173 259 3HD2 LEU 33 3HD2 LEU 33 -4.111 -8.200 -10.625 260 H SER 34 H SER 34 -5.461 -3.143 -9.972 261 HA SER 34 HA SER 34 -7.501 -1.931 -9.813 262 1HB SER 34 1HB SER 34 -8.208 -3.677 -12.198 263 2HB SER 34 2HB SER 34 -8.926 -2.116 -11.774 264 HG SER 34 HG SER 34 -6.198 -2.633 -12.489 265 H LEU 35 H LEU 35 -7.609 -3.503 -7.748 266 HA LEU 35 HA LEU 35 -9.465 -5.721 -7.899 267 1HB LEU 35 1HB LEU 35 -8.382 -4.196 -5.509 268 2HB LEU 35 2HB LEU 35 -9.378 -5.604 -5.393 269 HG LEU 35 HG LEU 35 -7.297 -6.413 -4.976 270 1HD1 LEU 35 1HD1 LEU 35 -7.486 -6.932 -7.957 271 2HD1 LEU 35 2HD1 LEU 35 -6.653 -7.920 -6.743 272 3HD1 LEU 35 3HD1 LEU 35 -8.421 -7.788 -6.710 273 1HD2 LEU 35 1HD2 LEU 35 -5.240 -5.892 -6.136 274 2HD2 LEU 35 2HD2 LEU 35 -6.118 -4.858 -7.286 275 3HD2 LEU 35 3HD2 LEU 35 -6.045 -4.416 -5.579 276 HA PRO 36 HA PRO 36 -13.298 -3.614 -7.284 277 1HB PRO 36 1HB PRO 36 -14.726 -5.286 -5.584 278 2HB PRO 36 2HB PRO 36 -14.484 -5.511 -7.333 279 1HG PRO 36 1HG PRO 36 -12.871 -6.744 -5.084 280 2HG PRO 36 2HG PRO 36 -13.539 -7.545 -6.541 281 1HD PRO 36 1HD PRO 36 -10.960 -6.786 -6.442 282 2HD PRO 36 2HD PRO 36 -11.902 -6.540 -7.935 283 H LYS 37 H LYS 37 -13.223 -4.827 -3.829 284 HA LYS 37 HA LYS 37 -12.034 -2.282 -3.036 285 1HB LYS 37 1HB LYS 37 -14.687 -2.059 -3.339 286 2HB LYS 37 2HB LYS 37 -14.694 -2.777 -1.740 287 1HG LYS 37 1HG LYS 37 -14.716 -0.425 -1.407 288 2HG LYS 37 2HG LYS 37 -13.066 -0.932 -1.016 289 1HD LYS 37 1HD LYS 37 -12.355 -0.212 -3.324 290 2HD LYS 37 2HD LYS 37 -14.016 0.310 -3.643 291 1HE LYS 37 1HE LYS 37 -13.852 1.957 -1.802 292 2HE LYS 37 2HE LYS 37 -12.205 1.387 -1.436 293 1HZ LYS 37 1HZ LYS 37 -12.119 3.352 -2.811 294 2HZ LYS 37 2HZ LYS 37 -11.562 2.067 -3.669 295 3HZ LYS 37 3HZ LYS 37 -13.062 2.635 -3.980 296 H LEU 38 H LEU 38 -13.762 -5.151 -1.586 297 HA LEU 38 HA LEU 38 -12.247 -5.033 0.865 298 1HB LEU 38 1HB LEU 38 -14.197 -6.431 0.814 299 2HB LEU 38 2HB LEU 38 -13.621 -7.322 -0.596 300 HG LEU 38 HG LEU 38 -11.807 -8.339 0.750 301 1HD1 LEU 38 1HD1 LEU 38 -13.088 -6.897 3.115 302 2HD1 LEU 38 2HD1 LEU 38 -11.832 -8.155 3.212 303 3HD1 LEU 38 3HD1 LEU 38 -11.454 -6.602 2.470 304 1HD2 LEU 38 1HD2 LEU 38 -14.543 -8.692 2.020 305 2HD2 LEU 38 2HD2 LEU 38 -13.974 -9.483 0.532 306 3HD2 LEU 38 3HD2 LEU 38 -13.186 -9.842 2.073 307 H VAL 39 H VAL 39 -11.782 -6.752 -2.222 308 HA VAL 39 HA VAL 39 -9.343 -8.008 -1.476 309 HB VAL 39 HB VAL 39 -10.202 -7.288 -4.307 310 1HG1 VAL 39 1HG1 VAL 39 -9.157 -9.435 -4.903 311 2HG1 VAL 39 2HG1 VAL 39 -7.997 -8.407 -4.053 312 3HG1 VAL 39 3HG1 VAL 39 -8.781 -9.745 -3.193 313 1HG2 VAL 39 1HG2 VAL 39 -11.516 -9.351 -4.415 314 2HG2 VAL 39 2HG2 VAL 39 -11.267 -9.618 -2.674 315 3HG2 VAL 39 3HG2 VAL 39 -12.220 -8.241 -3.263 316 H GLU 40 H GLU 40 -10.082 -4.751 -2.614 317 HA GLU 40 HA GLU 40 -7.347 -4.007 -3.312 318 1HB GLU 40 1HB GLU 40 -9.372 -2.727 -4.165 319 2HB GLU 40 2HB GLU 40 -9.714 -2.257 -2.523 320 1HG GLU 40 1HG GLU 40 -8.647 -0.408 -3.434 321 2HG GLU 40 2HG GLU 40 -7.475 -1.145 -2.363 322 H GLN 41 H GLN 41 -9.522 -3.555 -0.447 323 HA GLN 41 HA GLN 41 -7.773 -2.244 1.265 324 1HB GLN 41 1HB GLN 41 -10.266 -2.795 1.568 325 2HB GLN 41 2HB GLN 41 -9.769 -4.393 2.098 326 1HG GLN 41 1HG GLN 41 -8.613 -3.456 4.023 327 2HG GLN 41 2HG GLN 41 -8.871 -1.817 3.427 328 1HE2 GLN 41 1HE2 GLN 41 -11.513 -4.260 3.204 329 2HE2 GLN 41 2HE2 GLN 41 -12.454 -3.542 4.503 330 H VAL 42 H VAL 42 -8.053 -5.716 0.620 331 HA VAL 42 HA VAL 42 -6.129 -6.622 2.551 332 HB VAL 42 HB VAL 42 -7.382 -7.811 0.043 333 1HG1 VAL 42 1HG1 VAL 42 -6.508 -10.004 0.657 334 2HG1 VAL 42 2HG1 VAL 42 -5.162 -8.919 0.294 335 3HG1 VAL 42 3HG1 VAL 42 -5.557 -9.299 1.977 336 1HG2 VAL 42 1HG2 VAL 42 -8.539 -9.183 1.763 337 2HG2 VAL 42 2HG2 VAL 42 -7.621 -8.353 3.022 338 3HG2 VAL 42 3HG2 VAL 42 -8.804 -7.462 2.037 339 H ALA 43 H ALA 43 -5.846 -6.212 -1.047 340 HA ALA 43 HA ALA 43 -3.077 -6.767 -1.115 341 1HB ALA 43 1HB ALA 43 -3.205 -5.753 -3.354 342 2HB ALA 43 2HB ALA 43 -4.598 -6.810 -3.074 343 3HB ALA 43 3HB ALA 43 -4.785 -5.043 -2.963 344 H LEU 44 H LEU 44 -4.818 -3.863 -0.308 345 HA LEU 44 HA LEU 44 -2.668 -2.011 -0.466 346 1HB LEU 44 1HB LEU 44 -5.450 -1.963 0.676 347 2HB LEU 44 2HB LEU 44 -4.344 -0.727 1.174 348 HG LEU 44 HG LEU 44 -5.130 -1.257 -1.712 349 1HD1 LEU 44 1HD1 LEU 44 -6.345 0.858 -1.508 350 2HD1 LEU 44 2HD1 LEU 44 -6.904 -0.251 -0.244 351 3HD1 LEU 44 3HD1 LEU 44 -5.784 1.074 0.157 352 1HD2 LEU 44 1HD2 LEU 44 -4.017 0.974 -2.111 353 2HD2 LEU 44 2HD2 LEU 44 -3.295 0.860 -0.491 354 3HD2 LEU 44 3HD2 LEU 44 -2.893 -0.330 -1.758 355 H ASN 45 H ASN 45 -4.088 -4.004 2.184 356 HA ASN 45 HA ASN 45 -2.232 -2.671 4.078 357 1HB ASN 45 1HB ASN 45 -4.724 -4.325 4.486 358 2HB ASN 45 2HB ASN 45 -3.575 -4.052 5.794 359 1HD2 ASN 45 1HD2 ASN 45 -5.800 -2.396 3.600 360 2HD2 ASN 45 2HD2 ASN 45 -5.772 -0.857 4.479 361 H ALA 46 H ALA 46 -1.420 -4.788 1.959 362 HA ALA 46 HA ALA 46 0.209 -6.284 3.899 363 1HB ALA 46 1HB ALA 46 -1.084 -7.311 1.335 364 2HB ALA 46 2HB ALA 46 0.206 -8.169 2.224 365 3HB ALA 46 3HB ALA 46 -1.379 -7.920 2.963 366 H TRP 47 H TRP 47 2.251 -6.750 3.273 367 HA TRP 47 HA TRP 47 3.306 -5.108 1.011 368 1HB TRP 47 1HB TRP 47 5.424 -5.110 2.081 369 2HB TRP 47 2HB TRP 47 4.244 -4.397 3.138 370 HD1 TRP 47 HD TRP 47 3.877 -5.503 5.505 371 HE1 TRP 47 1HE TRP 47 5.390 -7.033 6.925 372 HE3 TRP 47 3HE TRP 47 6.802 -7.473 1.783 373 HZ2 TRP 47 2HZ TRP 47 7.546 -8.888 6.494 374 HZ3 TRP 47 3HZ TRP 47 8.498 -9.219 2.327 375 HH2 TRP 47 HH TRP 47 8.838 -9.952 4.641 376 H LYS 48 H LYS 48 4.235 -6.216 -0.609 377 HA LYS 48 HA LYS 48 3.609 -9.071 -0.631 378 1HB LYS 48 1HB LYS 48 2.991 -7.528 -2.417 379 2HB LYS 48 2HB LYS 48 4.645 -7.214 -2.813 380 1HG LYS 48 1HG LYS 48 3.766 -10.058 -2.720 381 2HG LYS 48 2HG LYS 48 3.067 -9.100 -4.005 382 1HD LYS 48 1HD LYS 48 6.059 -9.491 -3.594 383 2HD LYS 48 2HD LYS 48 5.020 -10.354 -4.745 384 1HE LYS 48 1HE LYS 48 4.469 -8.236 -5.886 385 2HE LYS 48 2HE LYS 48 5.569 -7.377 -4.801 386 1HZ LYS 48 1HZ LYS 48 6.616 -7.898 -6.869 387 2HZ LYS 48 2HZ LYS 48 7.378 -8.740 -5.687 388 3HZ LYS 48 3HZ LYS 48 6.350 -9.520 -6.703 389 H GLU 49 H GLU 49 4.983 -10.755 -0.685 390 HA GLU 49 HA GLU 49 7.899 -10.339 -0.832 391 1HB GLU 49 1HB GLU 49 7.170 -10.749 1.491 392 2HB GLU 49 2HB GLU 49 6.283 -12.167 0.984 393 1HG GLU 49 1HG GLU 49 9.132 -12.207 0.141 394 2HG GLU 49 2HG GLU 49 8.905 -12.113 1.891 395 H GLU 50 H GLU 50 8.565 -11.545 -2.624 396 HA GLU 50 HA GLU 50 6.662 -13.511 -3.797 397 1HB GLU 50 1HB GLU 50 6.750 -11.521 -5.083 398 2HB GLU 50 2HB GLU 50 8.496 -11.501 -5.102 399 1HG GLU 50 1HG GLU 50 8.578 -13.433 -6.558 400 2HG GLU 50 2HG GLU 50 6.834 -13.668 -6.426 401 H SER 51 H SER 51 7.391 -15.443 -3.604 402 HA SER 51 HA SER 51 10.191 -16.025 -2.918 403 1HB SER 51 1HB SER 51 8.084 -18.110 -2.698 404 2HB SER 51 2HB SER 51 9.442 -17.756 -1.642 405 HG SER 51 HG SER 51 8.137 -15.874 -0.885 406 H ASP 52 H ASP 52 10.647 -18.355 -3.843 407 HA ASP 52 HA ASP 52 11.406 -18.426 -6.305 408 1HB ASP 52 1HB ASP 52 11.405 -20.221 -4.412 409 2HB ASP 52 2HB ASP 52 10.060 -20.941 -5.293 410 H ASN 53 H ASN 53 8.104 -19.658 -5.582 411 HA ASN 53 HA ASN 53 7.063 -18.446 -8.005 412 1HB ASN 53 1HB ASN 53 7.880 -20.722 -8.793 413 2HB ASN 53 2HB ASN 53 6.649 -21.446 -7.755 414 1HD2 ASN 53 1HD2 ASN 53 4.359 -20.374 -8.163 415 2HD2 ASN 53 2HD2 ASN 53 3.879 -20.045 -9.819 416 H ALA 54 H ALA 54 6.733 -17.625 -5.410 417 HA ALA 54 HA ALA 54 3.902 -18.222 -4.983 418 1HB ALA 54 1HB ALA 54 5.936 -18.382 -2.706 419 2HB ALA 54 2HB ALA 54 4.181 -18.514 -2.560 420 3HB ALA 54 3HB ALA 54 5.091 -19.781 -3.398 421 H VAL 55 H VAL 55 2.975 -16.548 -3.588 422 HA VAL 55 HA VAL 55 4.660 -14.166 -3.219 423 HB VAL 55 HB VAL 55 1.985 -14.035 -4.684 424 1HG1 VAL 55 1HG1 VAL 55 2.264 -12.134 -3.168 425 2HG1 VAL 55 2HG1 VAL 55 3.963 -11.986 -3.654 426 3HG1 VAL 55 3HG1 VAL 55 2.672 -11.566 -4.802 427 1HG2 VAL 55 1HG2 VAL 55 4.788 -13.238 -5.610 428 2HG2 VAL 55 2HG2 VAL 55 3.916 -14.655 -6.206 429 3HG2 VAL 55 3HG2 VAL 55 3.290 -13.036 -6.535 430 H CYS 56 H CYS 56 4.649 -14.186 -1.060 431 HA CYS 56 HA CYS 56 2.126 -14.832 0.388 432 1HB CYS 56 1HB CYS 56 4.982 -14.499 1.381 433 2HB CYS 56 2HB CYS 56 3.567 -14.712 2.425 434 HG CYS 56 HG CYS 56 4.881 -16.683 0.140 435 H LEU 57 H LEU 57 0.858 -13.125 0.694 436 HA LEU 57 HA LEU 57 2.002 -10.399 0.748 437 1HB LEU 57 1HB LEU 57 -0.737 -11.561 0.344 438 2HB LEU 57 2HB LEU 57 -0.656 -9.968 1.099 439 HG LEU 57 HG LEU 57 0.923 -10.638 -1.412 440 1HD1 LEU 57 1HD1 LEU 57 -1.588 -10.878 -1.754 441 2HD1 LEU 57 2HD1 LEU 57 -1.702 -9.132 -1.465 442 3HD1 LEU 57 3HD1 LEU 57 -0.712 -9.781 -2.801 443 1HD2 LEU 57 1HD2 LEU 57 1.506 -8.527 -0.005 444 2HD2 LEU 57 2HD2 LEU 57 1.141 -8.309 -1.717 445 3HD2 LEU 57 3HD2 LEU 57 -0.062 -7.898 -0.502 446 H HIS 58 H HIS 58 2.899 -9.852 2.537 447 HA HIS 58 HA HIS 58 2.218 -11.001 5.149 448 1HB HIS 58 1HB HIS 58 4.210 -8.966 4.105 449 2HB HIS 58 2HB HIS 58 4.032 -9.312 5.803 450 HD1 HIS 58 HD1 HIS 58 5.896 -10.870 6.588 451 HD2 HIS 58 HD2 HIS 58 4.717 -11.495 2.592 452 HE1 HIS 58 HE1 HIS 58 7.378 -12.771 5.635 453 HE2 HIS 58 HE2 HIS 58 6.624 -13.217 3.238 454 H LEU 59 H LEU 59 0.094 -10.376 5.517 455 HA LEU 59 HA LEU 59 -0.722 -7.589 5.056 456 1HB LEU 59 1HB LEU 59 -2.121 -9.612 4.445 457 2HB LEU 59 2HB LEU 59 -2.269 -9.954 6.144 458 HG LEU 59 HG LEU 59 -3.031 -7.181 5.787 459 1HD1 LEU 59 1HD1 LEU 59 -3.486 -7.726 3.421 460 2HD1 LEU 59 2HD1 LEU 59 -4.496 -9.095 3.932 461 3HD1 LEU 59 3HD1 LEU 59 -4.973 -7.421 4.313 462 1HD2 LEU 59 1HD2 LEU 59 -4.699 -9.660 6.332 463 2HD2 LEU 59 2HD2 LEU 59 -3.890 -8.638 7.551 464 3HD2 LEU 59 3HD2 LEU 59 -5.228 -7.998 6.574 465 H ARG 60 H ARG 60 -0.862 -6.084 6.578 466 HA ARG 60 HA ARG 60 0.498 -6.354 8.992 467 1HB ARG 60 1HB ARG 60 -1.555 -4.374 8.038 468 2HB ARG 60 2HB ARG 60 -1.104 -4.348 9.722 469 1HG ARG 60 1HG ARG 60 1.008 -4.238 7.538 470 2HG ARG 60 2HG ARG 60 0.216 -2.815 8.220 471 1HD ARG 60 1HD ARG 60 0.942 -3.896 10.552 472 2HD ARG 60 2HD ARG 60 2.132 -4.737 9.579 473 HE ARG 60 HE ARG 60 3.103 -2.615 8.941 474 1HH1 ARG 60 2HH2 ARG 60 0.508 -2.219 11.412 475 2HH1 ARG 60 1HH2 ARG 60 1.016 -0.613 11.791 476 1HH2 ARG 60 2HH1 ARG 60 3.545 -0.468 9.325 477 2HH2 ARG 60 1HH1 ARG 60 2.641 0.481 10.464 478 H SER 61 H SER 61 0.108 -7.284 10.854 479 HA SER 61 HA SER 61 -2.165 -8.761 11.527 480 1HB SER 61 1HB SER 61 0.136 -8.826 12.550 481 2HB SER 61 2HB SER 61 -0.265 -7.341 13.443 482 HG SER 61 HG SER 61 -0.619 -9.392 14.564 483 H SER 62 H SER 62 -1.599 -5.295 11.671 484 HA SER 62 HA SER 62 -3.514 -4.401 13.512 485 1HB SER 62 1HB SER 62 -2.758 -2.969 10.935 486 2HB SER 62 2HB SER 62 -3.063 -2.269 12.531 487 HG SER 62 HG SER 62 -1.133 -3.123 13.250 488 H GLN 63 H GLN 63 -3.874 -5.727 10.349 489 HA GLN 63 HA GLN 63 -6.775 -5.091 10.240 490 1HB GLN 63 1HB GLN 63 -4.696 -4.756 8.039 491 2HB GLN 63 2HB GLN 63 -6.422 -4.799 7.728 492 1HG GLN 63 1HG GLN 63 -5.000 -2.730 9.429 493 2HG GLN 63 2HG GLN 63 -5.625 -2.510 7.801 494 1HE2 GLN 63 1HE2 GLN 63 -6.304 -1.555 10.770 495 2HE2 GLN 63 2HE2 GLN 63 -8.072 -1.550 10.787 496 H ARG 64 H ARG 64 -5.164 -7.535 11.078 497 HA ARG 64 HA ARG 64 -5.202 -9.503 9.032 498 1HB ARG 64 1HB ARG 64 -4.045 -9.954 11.095 499 2HB ARG 64 2HB ARG 64 -5.521 -9.755 12.045 500 1HG ARG 64 1HG ARG 64 -6.471 -11.810 11.065 501 2HG ARG 64 2HG ARG 64 -5.035 -12.014 10.040 502 1HD ARG 64 1HD ARG 64 -3.663 -12.418 12.001 503 2HD ARG 64 2HD ARG 64 -4.996 -11.931 13.075 504 HE ARG 64 HE ARG 64 -5.821 -14.118 11.432 505 1HH1 ARG 64 2HH2 ARG 64 -3.391 -13.635 13.955 506 2HH1 ARG 64 1HH2 ARG 64 -3.875 -14.997 14.910 507 1HH2 ARG 64 2HH1 ARG 64 -6.455 -16.009 12.701 508 2HH2 ARG 64 1HH1 ARG 64 -5.395 -16.523 13.972 509 H HIS 65 H HIS 65 -7.958 -8.189 10.821 510 HA HIS 65 HA HIS 65 -9.751 -10.292 10.341 511 1HB HIS 65 1HB HIS 65 -10.061 -8.116 11.720 512 2HB HIS 65 2HB HIS 65 -10.600 -7.378 10.205 513 HD1 HIS 65 HD1 HIS 65 -13.122 -8.125 9.420 514 HD2 HIS 65 HD2 HIS 65 -11.378 -10.370 12.572 515 HE1 HIS 65 HE1 HIS 65 -14.907 -9.718 10.271 516 HE2 HIS 65 HE2 HIS 65 -13.860 -11.033 12.283 517 H LEU 66 H LEU 66 -8.361 -8.204 7.852 518 HA LEU 66 HA LEU 66 -10.583 -8.908 6.000 519 1HB LEU 66 1HB LEU 66 -8.055 -7.316 5.419 520 2HB LEU 66 2HB LEU 66 -9.369 -7.681 4.317 521 HG LEU 66 HG LEU 66 -9.891 -5.565 4.767 522 1HD1 LEU 66 1HD1 LEU 66 -11.871 -6.965 5.345 523 2HD1 LEU 66 2HD1 LEU 66 -11.386 -6.934 7.053 524 3HD1 LEU 66 3HD1 LEU 66 -11.825 -5.435 6.231 525 1HD2 LEU 66 1HD2 LEU 66 -9.716 -4.418 6.929 526 2HD2 LEU 66 2HD2 LEU 66 -9.105 -5.904 7.691 527 3HD2 LEU 66 3HD2 LEU 66 -8.174 -5.099 6.409 528 H ASN 67 H ASN 67 -7.798 -10.487 7.145 529 HA ASN 67 HA ASN 67 -7.098 -11.810 4.620 530 1HB ASN 67 1HB ASN 67 -5.438 -11.603 6.452 531 2HB ASN 67 2HB ASN 67 -6.449 -12.592 7.501 532 1HD2 ASN 67 1HD2 ASN 67 -3.922 -13.390 7.100 533 2HD2 ASN 67 2HD2 ASN 67 -3.804 -14.737 5.972 534 H ASN 68 H ASN 68 -9.186 -12.515 3.872 535 HA ASN 68 HA ASN 68 -10.166 -14.926 5.308 536 1HB ASN 68 1HB ASN 68 -12.347 -14.249 5.072 537 2HB ASN 68 2HB ASN 68 -11.589 -12.695 5.351 538 1HD2 ASN 68 1HD2 ASN 68 -13.728 -14.246 3.494 539 2HD2 ASN 68 2HD2 ASN 68 -13.805 -13.155 2.115 540 H ARG 69 H ARG 69 -11.395 -16.403 3.795 541 HA ARG 69 HA ARG 69 -9.609 -17.167 1.681 542 1HB ARG 69 1HB ARG 69 -12.367 -18.060 2.617 543 2HB ARG 69 2HB ARG 69 -11.830 -18.575 1.033 544 1HG ARG 69 1HG ARG 69 -11.457 -20.275 2.680 545 2HG ARG 69 2HG ARG 69 -9.948 -19.785 1.918 546 1HD ARG 69 1HD ARG 69 -9.128 -18.761 3.861 547 2HD ARG 69 2HD ARG 69 -10.750 -18.560 4.557 548 HE ARG 69 HE ARG 69 -10.474 -21.286 4.307 549 1HH1 ARG 69 2HH2 ARG 69 -8.605 -18.829 6.076 550 2HH1 ARG 69 1HH2 ARG 69 -8.692 -19.696 7.581 551 1HH2 ARG 69 2HH1 ARG 69 -10.083 -22.577 6.084 552 2HH2 ARG 69 1HH1 ARG 69 -9.539 -21.936 7.588 553 H GLY 70 H GLY 70 -12.778 -15.469 1.601 554 1HA GLY 70 1HA GLY 70 -13.168 -15.573 -1.173 555 2HA GLY 70 2HA GLY 70 -13.853 -14.358 -0.079 556 H ALA 71 H ALA 71 -11.472 -13.000 0.836 557 HA ALA 71 HA ALA 71 -10.874 -11.394 -1.428 558 1HB ALA 71 1HB ALA 71 -10.630 -10.524 0.858 559 2HB ALA 71 2HB ALA 71 -9.338 -11.702 1.192 560 3HB ALA 71 3HB ALA 71 -9.096 -10.433 -0.029 561 H GLN 72 H GLN 72 -9.007 -14.028 0.196 562 HA GLN 72 HA GLN 72 -6.712 -13.803 -1.384 563 1HB GLN 72 1HB GLN 72 -7.033 -15.268 0.705 564 2HB GLN 72 2HB GLN 72 -7.965 -16.369 -0.233 565 1HG GLN 72 1HG GLN 72 -5.104 -15.706 -1.035 566 2HG GLN 72 2HG GLN 72 -5.460 -16.894 0.216 567 1HE2 GLN 72 1HE2 GLN 72 -4.032 -17.717 -2.020 568 2HE2 GLN 72 2HE2 GLN 72 -4.992 -18.850 -2.924 569 H GLN 73 H GLN 73 -9.679 -15.708 -2.074 570 HA GLN 73 HA GLN 73 -8.661 -17.001 -4.386 571 1HB GLN 73 1HB GLN 73 -11.414 -16.281 -3.304 572 2HB GLN 73 2HB GLN 73 -11.270 -16.953 -4.913 573 1HG GLN 73 1HG GLN 73 -10.129 -18.254 -2.451 574 2HG GLN 73 2HG GLN 73 -11.696 -18.640 -3.148 575 1HE2 GLN 73 1HE2 GLN 73 -9.716 -20.709 -2.858 576 2HE2 GLN 73 2HE2 GLN 73 -9.108 -21.100 -4.432 577 H LYS 74 H LYS 74 -10.626 -14.046 -4.077 578 HA LYS 74 HA LYS 74 -10.563 -13.614 -6.913 579 1HB LYS 74 1HB LYS 74 -12.302 -12.794 -5.241 580 2HB LYS 74 2HB LYS 74 -11.157 -11.554 -4.751 581 1HG LYS 74 1HG LYS 74 -12.826 -10.666 -6.264 582 2HG LYS 74 2HG LYS 74 -11.259 -10.575 -7.034 583 1HD LYS 74 1HD LYS 74 -13.066 -12.958 -7.547 584 2HD LYS 74 2HD LYS 74 -13.445 -11.434 -8.319 585 1HE LYS 74 1HE LYS 74 -10.706 -12.710 -8.649 586 2HE LYS 74 2HE LYS 74 -12.096 -13.137 -9.647 587 1HZ LYS 74 1HZ LYS 74 -12.269 -10.735 -10.206 588 2HZ LYS 74 2HZ LYS 74 -10.850 -10.475 -9.436 589 3HZ LYS 74 3HZ LYS 74 -10.910 -11.437 -10.776 590 H LEU 75 H LEU 75 -8.375 -12.632 -4.300 591 HA LEU 75 HA LEU 75 -6.836 -10.749 -5.879 592 1HB LEU 75 1HB LEU 75 -6.935 -11.379 -3.209 593 2HB LEU 75 2HB LEU 75 -5.613 -12.353 -3.653 594 HG LEU 75 HG LEU 75 -5.948 -9.335 -3.866 595 1HD1 LEU 75 1HD1 LEU 75 -4.235 -9.310 -2.108 596 2HD1 LEU 75 2HD1 LEU 75 -5.612 -10.320 -1.641 597 3HD1 LEU 75 3HD1 LEU 75 -4.113 -11.083 -2.173 598 1HD2 LEU 75 1HD2 LEU 75 -3.482 -10.862 -4.777 599 2HD2 LEU 75 2HD2 LEU 75 -4.566 -9.892 -5.783 600 3HD2 LEU 75 3HD2 LEU 75 -3.596 -9.111 -4.533 601 H ALA 76 H ALA 76 -6.783 -14.294 -5.249 602 HA ALA 76 HA ALA 76 -4.248 -14.820 -6.365 603 1HB ALA 76 1HB ALA 76 -5.368 -16.421 -4.869 604 2HB ALA 76 2HB ALA 76 -6.634 -16.704 -6.085 605 3HB ALA 76 3HB ALA 76 -4.958 -17.174 -6.414 606 H GLU 77 H GLU 77 -7.528 -14.967 -7.851 607 HA GLU 77 HA GLU 77 -6.586 -15.715 -10.449 608 1HB GLU 77 1HB GLU 77 -9.038 -15.551 -9.562 609 2HB GLU 77 2HB GLU 77 -8.917 -13.835 -9.892 610 1HG GLU 77 1HG GLU 77 -9.548 -14.241 -12.007 611 2HG GLU 77 2HG GLU 77 -8.007 -15.021 -12.291 612 H ALA 78 H ALA 78 -6.717 -12.546 -8.821 613 HA ALA 78 HA ALA 78 -6.086 -10.994 -11.151 614 1HB ALA 78 1HB ALA 78 -7.186 -10.137 -9.078 615 2HB ALA 78 2HB ALA 78 -5.626 -10.236 -8.243 616 3HB ALA 78 3HB ALA 78 -5.832 -9.158 -9.635 617 H LEU 79 H LEU 79 -4.012 -12.180 -8.418 618 HA LEU 79 HA LEU 79 -1.577 -11.258 -9.532 619 1HB LEU 79 1HB LEU 79 -2.487 -12.622 -7.191 620 2HB LEU 79 2HB LEU 79 -1.242 -13.645 -7.881 621 HG LEU 79 HG LEU 79 -0.888 -10.654 -7.337 622 1HD1 LEU 79 1HD1 LEU 79 0.364 -11.349 -5.348 623 2HD1 LEU 79 2HD1 LEU 79 -1.345 -11.770 -5.275 624 3HD1 LEU 79 3HD1 LEU 79 -0.145 -13.038 -5.627 625 1HD2 LEU 79 1HD2 LEU 79 1.523 -11.158 -7.543 626 2HD2 LEU 79 2HD2 LEU 79 1.162 -12.866 -7.863 627 3HD2 LEU 79 3HD2 LEU 79 0.696 -11.629 -9.034 628 H SER 80 H SER 80 -3.370 -14.313 -9.958 629 HA SER 80 HA SER 80 -1.322 -15.754 -11.368 630 1HB SER 80 1HB SER 80 -4.347 -15.998 -11.436 631 2HB SER 80 2HB SER 80 -3.214 -17.195 -12.069 632 HG SER 80 HG SER 80 -3.606 -16.320 -9.414 633 H MET 81 H MET 81 -3.902 -13.467 -12.392 634 HA MET 81 HA MET 81 -3.400 -13.710 -15.225 635 1HB MET 81 1HB MET 81 -5.551 -12.973 -14.447 636 2HB MET 81 2HB MET 81 -4.840 -11.711 -13.457 637 1HG MET 81 1HG MET 81 -5.875 -10.713 -15.335 638 2HG MET 81 2HG MET 81 -4.139 -10.492 -15.492 639 1HE MET 81 1HE MET 81 -5.057 -9.542 -17.781 640 2HE MET 81 2HE MET 81 -5.737 -10.549 -19.079 641 3HE MET 81 3HE MET 81 -6.702 -10.196 -17.630 642 H LEU 82 H LEU 82 -2.262 -11.537 -12.641 643 HA LEU 82 HA LEU 82 -0.795 -9.719 -14.245 644 1HB LEU 82 1HB LEU 82 -1.406 -9.348 -11.906 645 2HB LEU 82 2HB LEU 82 -0.371 -10.671 -11.382 646 HG LEU 82 HG LEU 82 1.617 -9.355 -12.315 647 1HD1 LEU 82 1HD1 LEU 82 1.270 -6.913 -12.496 648 2HD1 LEU 82 2HD1 LEU 82 0.379 -7.790 -13.754 649 3HD1 LEU 82 3HD1 LEU 82 -0.489 -7.143 -12.332 650 1HD2 LEU 82 1HD2 LEU 82 0.018 -8.114 -10.029 651 2HD2 LEU 82 2HD2 LEU 82 1.114 -9.510 -9.906 652 3HD2 LEU 82 3HD2 LEU 82 1.759 -7.933 -10.333 653 H LYS 83 H LYS 83 0.312 -12.604 -12.444 654 HA LYS 83 HA LYS 83 2.977 -12.619 -13.558 655 1HB LYS 83 1HB LYS 83 2.068 -13.623 -11.332 656 2HB LYS 83 2HB LYS 83 1.382 -14.902 -12.316 657 1HG LYS 83 1HG LYS 83 3.301 -15.903 -11.638 658 2HG LYS 83 2HG LYS 83 3.864 -15.240 -13.155 659 1HD LYS 83 1HD LYS 83 4.236 -13.773 -10.500 660 2HD LYS 83 2HD LYS 83 5.344 -15.030 -11.051 661 1HE LYS 83 1HE LYS 83 5.780 -13.778 -13.137 662 2HE LYS 83 2HE LYS 83 4.759 -12.451 -12.563 663 1HZ LYS 83 1HZ LYS 83 7.171 -12.180 -12.161 664 2HZ LYS 83 2HZ LYS 83 6.305 -12.068 -10.776 665 3HZ LYS 83 3HZ LYS 83 7.148 -13.439 -11.123 666 H GLY 84 H GLY 84 -0.136 -13.880 -14.627 667 1HA GLY 84 1HA GLY 84 -0.740 -14.725 -16.670 668 2HA GLY 84 2HA GLY 84 0.958 -14.773 -17.167 669 H SER 85 H SER 85 0.983 -16.234 -14.195 670 HA SER 85 HA SER 85 0.456 -18.973 -15.176 671 1HB SER 85 1HB SER 85 3.057 -17.859 -14.049 672 2HB SER 85 2HB SER 85 2.726 -19.589 -14.248 673 HG SER 85 HG SER 85 2.665 -19.383 -16.400 674 H THR 86 H THR 86 0.856 -20.499 -13.225 675 HA THR 86 HA THR 86 -0.989 -19.843 -11.207 676 HB THR 86 HB THR 86 1.174 -21.985 -11.152 677 HG1 THR 86 1HG THR 86 -0.766 -23.165 -12.157 678 1HG2 THR 86 1HG2 THR 86 -1.681 -21.990 -10.072 679 2HG2 THR 86 2HG2 THR 86 -0.510 -23.323 -9.969 680 3HG2 THR 86 3HG2 THR 86 -0.204 -21.815 -9.096 681 H VAL 87 H VAL 87 -0.709 -18.792 -9.264 682 HA VAL 87 HA VAL 87 2.055 -18.574 -8.150 683 HB VAL 87 HB VAL 87 -0.191 -16.504 -8.168 684 1HG1 VAL 87 1HG1 VAL 87 1.470 -15.017 -7.033 685 2HG1 VAL 87 2HG1 VAL 87 0.955 -16.353 -6.018 686 3HG1 VAL 87 3HG1 VAL 87 2.542 -16.419 -6.821 687 1HG2 VAL 87 1HG2 VAL 87 1.047 -16.549 -10.296 688 2HG2 VAL 87 2HG2 VAL 87 1.436 -15.091 -9.391 689 3HG2 VAL 87 3HG2 VAL 87 2.587 -16.450 -9.423 690 H GLU 88 H GLU 88 2.266 -18.976 -5.956 691 HA GLU 88 HA GLU 88 -0.044 -20.141 -4.501 692 1HB GLU 88 1HB GLU 88 2.951 -20.181 -4.280 693 2HB GLU 88 2HB GLU 88 2.050 -20.240 -2.776 694 1HG GLU 88 1HG GLU 88 1.389 -22.144 -5.058 695 2HG GLU 88 2HG GLU 88 2.764 -22.453 -3.984 696 H LEU 89 H LEU 89 -1.211 -18.195 -4.390 697 HA LEU 89 HA LEU 89 0.088 -15.825 -3.204 698 1HB LEU 89 1HB LEU 89 -1.401 -15.251 -4.909 699 2HB LEU 89 2HB LEU 89 -2.672 -16.326 -4.304 700 HG LEU 89 HG LEU 89 -3.120 -14.934 -2.401 701 1HD1 LEU 89 1HD1 LEU 89 -0.783 -14.076 -1.877 702 2HD1 LEU 89 2HD1 LEU 89 -1.001 -12.916 -3.194 703 3HD1 LEU 89 3HD1 LEU 89 -2.101 -12.937 -1.786 704 1HD2 LEU 89 1HD2 LEU 89 -2.865 -13.496 -5.043 705 2HD2 LEU 89 2HD2 LEU 89 -4.285 -14.176 -4.198 706 3HD2 LEU 89 3HD2 LEU 89 -3.516 -12.699 -3.612 707 H THR 90 H THR 90 0.485 -16.086 -1.045 708 HA THR 90 HA THR 90 -1.690 -17.296 0.631 709 HB THR 90 HB THR 90 1.130 -16.740 1.519 710 HG1 THR 90 1HG THR 90 1.636 -18.886 0.938 711 1HG2 THR 90 1HG2 THR 90 -0.511 -17.314 3.271 712 2HG2 THR 90 2HG2 THR 90 -0.887 -18.828 2.411 713 3HG2 THR 90 3HG2 THR 90 0.726 -18.558 3.107 714 H ILE 91 H ILE 91 -2.249 -16.026 2.538 715 HA ILE 91 HA ILE 91 -1.286 -13.215 2.560 716 HB ILE 91 HB ILE 91 -4.088 -14.137 3.272 717 1HG1 ILE 91 1HG1 ILE 91 -3.236 -12.444 0.873 718 2HG1 ILE 91 2HG1 ILE 91 -3.675 -14.156 0.778 719 1HG2 ILE 91 1HG2 ILE 91 -2.890 -11.328 3.029 720 2HG2 ILE 91 2HG2 ILE 91 -4.512 -11.738 3.639 721 3HG2 ILE 91 3HG2 ILE 91 -3.086 -12.183 4.570 722 1HD1 ILE 91 1HD1 ILE 91 -5.577 -12.860 0.171 723 2HD1 ILE 91 2HD1 ILE 91 -5.892 -13.661 1.736 724 3HD1 ILE 91 3HD1 ILE 91 -5.511 -11.927 1.674 725 H VAL 92 H VAL 92 0.028 -13.222 4.261 726 HA VAL 92 HA VAL 92 -0.466 -15.124 6.510 727 HB VAL 92 HB VAL 92 1.893 -15.111 6.924 728 1HG1 VAL 92 1HG1 VAL 92 1.459 -15.488 3.917 729 2HG1 VAL 92 2HG1 VAL 92 2.764 -16.165 4.865 730 3HG1 VAL 92 3HG1 VAL 92 1.106 -16.688 5.185 731 1HG2 VAL 92 1HG2 VAL 92 3.562 -13.987 5.518 732 2HG2 VAL 92 2HG2 VAL 92 2.276 -13.173 4.607 733 3HG2 VAL 92 3HG2 VAL 92 2.532 -12.819 6.344 734 H GLU 93 H GLU 93 0.280 -13.994 8.719 735 HA GLU 93 HA GLU 93 -0.707 -11.184 8.572 736 1HB GLU 93 1HB GLU 93 -0.967 -11.217 10.932 737 2HB GLU 93 2HB GLU 93 -1.970 -12.473 10.222 738 1HG GLU 93 1HG GLU 93 -0.711 -14.195 11.129 739 2HG GLU 93 2HG GLU 93 0.761 -13.237 11.269 740 H ASP 94 H ASP 94 0.717 -9.564 9.283 741 HA ASP 94 HA ASP 94 3.333 -10.445 10.313 742 1HB ASP 94 1HB ASP 94 3.352 -10.101 7.756 743 2HB ASP 94 2HB ASP 94 3.247 -8.366 8.115 744 H ASP 95 H ASP 95 3.407 -9.445 12.228 745 HA ASP 95 HA ASP 95 1.916 -6.900 12.583 746 1HB ASP 95 1HB ASP 95 2.264 -7.117 14.908 747 2HB ASP 95 2HB ASP 95 1.909 -8.746 14.364 748 H ASN 96 H ASN 96 5.048 -7.929 11.595 749 HA ASN 96 HA ASN 96 6.465 -5.806 12.981 750 1HB ASN 96 1HB ASN 96 7.299 -8.200 12.605 751 2HB ASN 96 2HB ASN 96 7.566 -7.756 10.921 752 1HD2 ASN 96 1HD2 ASN 96 9.154 -6.000 10.480 753 2HD2 ASN 96 2HD2 ASN 96 10.207 -5.400 11.757 754 HA PRO 97 HA PRO 97 6.036 -3.316 9.171 755 1HB PRO 97 1HB PRO 97 6.815 -0.910 10.085 756 2HB PRO 97 2HB PRO 97 5.262 -1.648 10.578 757 1HG PRO 97 1HG PRO 97 7.879 -1.688 12.119 758 2HG PRO 97 2HG PRO 97 6.257 -1.212 12.705 759 1HD PRO 97 1HD PRO 97 7.292 -3.745 13.033 760 2HD PRO 97 2HD PRO 97 5.542 -3.449 12.813 761 H ALA 98 H ALA 98 7.845 -5.018 8.837 762 HA ALA 98 HA ALA 98 10.626 -4.013 8.840 763 1HB ALA 98 1HB ALA 98 11.092 -6.074 7.491 764 2HB ALA 98 2HB ALA 98 10.279 -6.468 8.999 765 3HB ALA 98 3HB ALA 98 9.360 -6.452 7.482 766 H VAL 99 H VAL 99 7.901 -3.841 6.896 767 HA VAL 99 HA VAL 99 9.230 -2.528 4.621 768 HB VAL 99 HB VAL 99 7.264 -4.833 4.380 769 1HG1 VAL 99 1HG1 VAL 99 7.723 -4.874 2.006 770 2HG1 VAL 99 2HG1 VAL 99 7.219 -3.239 2.434 771 3HG1 VAL 99 3HG1 VAL 99 8.942 -3.615 2.169 772 1HG2 VAL 99 1HG2 VAL 99 9.176 -6.124 3.332 773 2HG2 VAL 99 2HG2 VAL 99 10.274 -4.878 3.945 774 3HG2 VAL 99 3HG2 VAL 99 9.320 -5.879 5.066 775 H ARG 100 H ARG 100 7.676 -1.143 3.514 776 HA ARG 100 HA ARG 100 5.400 -0.302 5.241 777 1HB ARG 100 1HB ARG 100 6.354 0.850 2.599 778 2HB ARG 100 2HB ARG 100 5.176 1.540 3.663 779 1HG ARG 100 1HG ARG 100 7.064 2.883 3.897 780 2HG ARG 100 2HG ARG 100 7.124 1.878 5.356 781 1HD ARG 100 1HD ARG 100 8.934 0.587 4.502 782 2HD ARG 100 2HD ARG 100 8.556 1.019 2.828 783 HE ARG 100 HE ARG 100 9.376 3.365 4.242 784 1HH1 ARG 100 2HH2 ARG 100 10.639 0.335 2.827 785 2HH1 ARG 100 1HH2 ARG 100 12.244 0.988 2.598 786 1HH2 ARG 100 2HH1 ARG 100 11.508 4.246 3.623 787 2HH2 ARG 100 1HH1 ARG 100 12.711 3.129 3.069 788 H THR 101 H THR 101 3.250 -0.927 4.587 789 HA THR 101 HA THR 101 2.961 -2.748 2.301 790 HB THR 101 HB THR 101 0.579 -2.699 3.001 791 HG1 THR 101 1HG THR 101 0.050 -1.369 4.858 792 1HG2 THR 101 1HG2 THR 101 2.282 -2.803 5.526 793 2HG2 THR 101 2HG2 THR 101 0.710 -3.572 5.240 794 3HG2 THR 101 3HG2 THR 101 2.137 -4.127 4.355 795 HA PRO 102 HA PRO 102 2.304 0.648 -0.518 796 1HB PRO 102 1HB PRO 102 0.146 0.151 -2.073 797 2HB PRO 102 2HB PRO 102 1.640 -0.858 -2.120 798 1HG PRO 102 1HG PRO 102 -0.836 -1.364 -0.550 799 2HG PRO 102 2HG PRO 102 -0.044 -2.495 -1.699 800 1HD PRO 102 1HD PRO 102 0.406 -2.623 0.966 801 2HD PRO 102 2HD PRO 102 1.771 -2.835 -0.142 802 H LEU 103 H LEU 103 -0.418 -0.160 1.595 803 HA LEU 103 HA LEU 103 -1.751 2.398 1.446 804 1HB LEU 103 1HB LEU 103 -2.706 0.220 2.092 805 2HB LEU 103 2HB LEU 103 -1.799 0.215 3.587 806 HG LEU 103 HG LEU 103 -4.274 0.744 3.605 807 1HD1 LEU 103 1HD1 LEU 103 -4.172 2.366 5.380 808 2HD1 LEU 103 2HD1 LEU 103 -2.863 1.186 5.534 809 3HD1 LEU 103 3HD1 LEU 103 -2.514 2.818 4.919 810 1HD2 LEU 103 1HD2 LEU 103 -3.465 3.487 2.600 811 2HD2 LEU 103 2HD2 LEU 103 -4.300 2.260 1.636 812 3HD2 LEU 103 3HD2 LEU 103 -5.080 2.938 3.075 813 H GLU 104 H GLU 104 0.703 0.917 3.646 814 HA GLU 104 HA GLU 104 1.019 3.328 5.225 815 1HB GLU 104 1HB GLU 104 2.711 0.819 4.913 816 2HB GLU 104 2HB GLU 104 3.178 2.148 5.941 817 1HG GLU 104 1HG GLU 104 0.720 0.411 6.259 818 2HG GLU 104 2HG GLU 104 2.138 0.439 7.291 819 H TRP 105 H TRP 105 2.517 2.151 2.194 820 HA TRP 105 HA TRP 105 4.684 4.004 2.181 821 1HB TRP 105 1HB TRP 105 3.203 2.530 -0.004 822 2HB TRP 105 2HB TRP 105 4.280 3.843 -0.409 823 HD1 TRP 105 HD TRP 105 4.421 0.228 -0.040 824 HE1 TRP 105 1HE TRP 105 6.789 -0.590 -0.049 825 HE3 TRP 105 3HE TRP 105 6.800 4.674 0.893 826 HZ2 TRP 105 2HZ TRP 105 9.479 0.584 -0.029 827 HZ3 TRP 105 3HZ TRP 105 9.276 4.785 0.916 828 HH2 TRP 105 HH TRP 105 10.623 2.754 0.409 829 H ARG 106 H ARG 106 1.352 4.244 0.779 830 HA ARG 106 HA ARG 106 1.536 6.903 -0.158 831 1HB ARG 106 1HB ARG 106 -0.231 5.267 -0.576 832 2HB ARG 106 2HB ARG 106 -0.823 5.430 1.060 833 1HG ARG 106 1HG ARG 106 -1.507 7.741 0.640 834 2HG ARG 106 2HG ARG 106 -0.766 7.700 -0.982 835 1HD ARG 106 1HD ARG 106 -2.313 6.082 -1.791 836 2HD ARG 106 2HD ARG 106 -2.862 5.664 -0.179 837 HE ARG 106 HE ARG 106 -3.783 7.914 -1.828 838 1HH1 ARG 106 2HH2 ARG 106 -3.481 6.748 1.582 839 2HH1 ARG 106 1HH2 ARG 106 -4.981 7.422 2.064 840 1HH2 ARG 106 2HH1 ARG 106 -5.996 8.530 -1.151 841 2HH2 ARG 106 1HH1 ARG 106 -6.379 8.474 0.514 842 H GLN 107 H GLN 107 0.801 5.780 3.083 843 HA GLN 107 HA GLN 107 0.506 8.423 4.261 844 1HB GLN 107 1HB GLN 107 -0.316 6.211 5.245 845 2HB GLN 107 2HB GLN 107 1.358 5.775 5.548 846 1HG GLN 107 1HG GLN 107 0.673 6.528 7.606 847 2HG GLN 107 2HG GLN 107 1.504 7.933 6.968 848 1HE2 GLN 107 1HE2 GLN 107 0.320 9.873 7.057 849 2HE2 GLN 107 2HE2 GLN 107 -1.319 9.947 7.624 850 H ALA 108 H ALA 108 3.318 6.157 4.091 851 HA ALA 108 HA ALA 108 5.095 7.742 5.627 852 1HB ALA 108 1HB ALA 108 5.493 5.352 5.166 853 2HB ALA 108 2HB ALA 108 5.674 5.695 3.430 854 3HB ALA 108 3HB ALA 108 6.856 6.331 4.582 855 H ILE 109 H ILE 109 4.590 7.539 2.117 856 HA ILE 109 HA ILE 109 6.636 9.198 1.176 857 HB ILE 109 HB ILE 109 3.896 8.384 0.205 858 1HG1 ILE 109 1HG1 ILE 109 5.930 6.750 0.484 859 2HG1 ILE 109 2HG1 ILE 109 4.911 6.671 -0.927 860 1HG2 ILE 109 1HG2 ILE 109 4.395 9.042 -2.029 861 2HG2 ILE 109 2HG2 ILE 109 4.311 10.459 -0.980 862 3HG2 ILE 109 3HG2 ILE 109 5.890 9.871 -1.518 863 1HD1 ILE 109 1HD1 ILE 109 6.612 7.752 -2.296 864 2HD1 ILE 109 2HD1 ILE 109 7.616 8.056 -0.851 865 3HD1 ILE 109 3HD1 ILE 109 7.308 6.394 -1.408 866 H TYR 110 H TYR 110 3.482 10.031 2.588 867 HA TYR 110 HA TYR 110 3.524 12.823 1.841 868 1HB TYR 110 1HB TYR 110 1.498 11.524 2.695 869 2HB TYR 110 2HB TYR 110 2.215 11.522 4.280 870 HD1 TYR 110 HD1 TYR 110 2.467 13.656 5.592 871 HD2 TYR 110 HD2 TYR 110 0.589 13.562 1.720 872 HE1 TYR 110 HE1 TYR 110 1.369 15.811 6.086 873 HE2 TYR 110 HE2 TYR 110 -0.529 15.723 2.198 874 HH TYR 110 HH TYR 110 -0.374 17.297 5.390 875 H GLU 111 H GLU 111 4.454 11.005 4.794 876 HA GLU 111 HA GLU 111 5.450 13.293 6.201 877 1HB GLU 111 1HB GLU 111 4.638 11.060 7.182 878 2HB GLU 111 2HB GLU 111 6.184 10.363 6.668 879 1HG GLU 111 1HG GLU 111 7.364 12.110 8.012 880 2HG GLU 111 2HG GLU 111 5.811 12.776 8.499 881 H GLU 112 H GLU 112 7.037 10.912 3.972 882 HA GLU 112 HA GLU 112 9.689 11.605 4.371 883 1HB GLU 112 1HB GLU 112 8.023 10.663 2.022 884 2HB GLU 112 2HB GLU 112 9.735 10.898 1.878 885 1HG GLU 112 1HG GLU 112 8.626 9.083 4.037 886 2HG GLU 112 2HG GLU 112 8.843 8.524 2.384 887 H LYS 113 H LYS 113 7.098 13.301 2.562 888 HA LYS 113 HA LYS 113 8.965 15.185 1.328 889 1HB LYS 113 1HB LYS 113 6.632 14.423 0.444 890 2HB LYS 113 2HB LYS 113 5.975 15.544 1.631 891 1HG LYS 113 1HG LYS 113 7.860 17.147 0.385 892 2HG LYS 113 2HG LYS 113 7.459 16.058 -0.937 893 1HD LYS 113 1HD LYS 113 5.126 16.708 -0.849 894 2HD LYS 113 2HD LYS 113 5.361 17.490 0.723 895 1HE LYS 113 1HE LYS 113 6.943 19.109 -0.366 896 2HE LYS 113 2HE LYS 113 6.514 18.405 -1.939 897 1HZ LYS 113 1HZ LYS 113 4.625 19.674 -0.055 898 2HZ LYS 113 2HZ LYS 113 5.229 20.380 -1.427 899 3HZ LYS 113 3HZ LYS 113 4.237 19.054 -1.530 900 H LEU 114 H LEU 114 7.382 14.904 4.429 901 HA LEU 114 HA LEU 114 7.797 17.799 5.073 902 1HB LEU 114 1HB LEU 114 6.536 15.429 6.538 903 2HB LEU 114 2HB LEU 114 7.047 16.872 7.390 904 HG LEU 114 HG LEU 114 5.580 18.264 5.951 905 1HD1 LEU 114 1HD1 LEU 114 3.733 17.259 4.685 906 2HD1 LEU 114 2HD1 LEU 114 5.276 16.831 3.958 907 3HD1 LEU 114 3HD1 LEU 114 4.411 15.643 4.954 908 1HD2 LEU 114 1HD2 LEU 114 4.140 16.019 7.417 909 2HD2 LEU 114 2HD2 LEU 114 4.853 17.462 8.170 910 3HD2 LEU 114 3HD2 LEU 114 3.490 17.639 7.065 911 H ALA 115 H ALA 115 9.182 14.581 5.601 912 HA ALA 115 HA ALA 115 11.256 15.378 7.401 913 1HB ALA 115 1HB ALA 115 11.094 13.003 5.490 914 2HB ALA 115 2HB ALA 115 12.209 13.180 6.850 915 3HB ALA 115 3HB ALA 115 10.467 13.034 7.157 916 H GLN 116 H GLN 116 11.035 15.146 3.797 917 HA GLN 116 HA GLN 116 13.768 15.398 3.304 918 1HB GLN 116 1HB GLN 116 13.315 15.786 1.056 919 2HB GLN 116 2HB GLN 116 12.060 14.740 1.640 920 1HG GLN 116 1HG GLN 116 10.877 16.197 0.295 921 2HG GLN 116 2HG GLN 116 10.650 16.893 1.891 922 1HE2 GLN 116 1HE2 GLN 116 13.183 17.137 -0.771 923 2HE2 GLN 116 2HE2 GLN 116 13.159 18.901 -0.706 924 H ALA 117 H ALA 117 11.433 17.823 4.082 925 HA ALA 117 HA ALA 117 12.945 20.154 3.461 926 1HB ALA 117 1HB ALA 117 11.226 21.292 4.827 927 2HB ALA 117 2HB ALA 117 10.454 20.048 3.829 928 3HB ALA 117 3HB ALA 117 10.738 19.750 5.555 929 H ARG 118 H ARG 118 13.232 17.923 6.150 930 HA ARG 118 HA ARG 118 14.983 19.738 7.668 931 1HB ARG 118 1HB ARG 118 13.551 18.757 9.238 932 2HB ARG 118 2HB ARG 118 13.363 17.266 8.315 933 1HG ARG 118 1HG ARG 118 15.539 16.459 8.959 934 2HG ARG 118 2HG ARG 118 15.942 17.985 9.762 935 1HD ARG 118 1HD ARG 118 13.576 16.276 10.608 936 2HD ARG 118 2HD ARG 118 15.201 15.950 11.192 937 HE ARG 118 HE ARG 118 13.469 18.212 11.880 938 1HH1 ARG 118 2HH2 ARG 118 16.788 16.915 12.124 939 2HH1 ARG 118 1HH2 ARG 118 17.120 17.725 13.616 940 1HH2 ARG 118 2HH1 ARG 118 13.999 19.448 13.662 941 2HH2 ARG 118 1HH1 ARG 118 15.489 19.182 14.524 942 H GLU 119 H GLU 119 14.838 16.722 5.795 943 HA GLU 119 HA GLU 119 17.472 15.933 6.281 944 1HB GLU 119 1HB GLU 119 15.301 15.087 4.580 945 2HB GLU 119 2HB GLU 119 16.807 15.118 3.654 946 1HG GLU 119 1HG GLU 119 16.583 12.966 4.516 947 2HG GLU 119 2HG GLU 119 17.878 13.730 5.424 948 H SER 120 H SER 120 16.305 18.611 4.329 949 HA SER 120 HA SER 120 18.449 19.031 2.623 950 1HB SER 120 1HB SER 120 17.060 21.122 4.344 951 2HB SER 120 2HB SER 120 17.956 21.418 2.847 952 HG SER 120 HG SER 120 16.363 19.897 1.865 953 H ILE 121 H ILE 121 18.428 19.345 6.177 954 HA ILE 121 HA ILE 121 20.916 20.754 6.439 955 HB ILE 121 HB ILE 121 19.495 18.818 8.319 956 1HG1 ILE 121 1HG1 ILE 121 19.447 21.877 8.304 957 2HG1 ILE 121 2HG1 ILE 121 18.167 20.882 7.628 958 1HG2 ILE 121 1HG2 ILE 121 21.677 20.864 8.928 959 2HG2 ILE 121 2HG2 ILE 121 20.826 19.868 10.130 960 3HG2 ILE 121 3HG2 ILE 121 21.876 19.101 8.951 961 1HD1 ILE 121 1HD1 ILE 121 17.805 19.826 9.867 962 2HD1 ILE 121 2HD1 ILE 121 18.941 21.013 10.555 963 3HD1 ILE 121 3HD1 ILE 121 17.447 21.560 9.784 964 H ILE 122 H ILE 122 20.077 17.278 6.104 965 HA ILE 122 HA ILE 122 22.852 16.410 6.474 966 HB ILE 122 HB ILE 122 20.371 14.871 5.575 967 1HG1 ILE 122 1HG1 ILE 122 21.053 13.835 8.027 968 2HG1 ILE 122 2HG1 ILE 122 21.571 15.495 8.276 969 1HG2 ILE 122 1HG2 ILE 122 22.384 13.754 4.757 970 2HG2 ILE 122 2HG2 ILE 122 23.139 13.892 6.360 971 3HG2 ILE 122 3HG2 ILE 122 21.711 12.859 6.120 972 1HD1 ILE 122 1HD1 ILE 122 19.258 16.264 7.719 973 2HD1 ILE 122 2HD1 ILE 122 18.804 14.566 7.393 974 3HD1 ILE 122 3HD1 ILE 122 19.266 15.057 9.015 975 H ALA 123 H ALA 123 20.592 17.089 3.778 976 HA ALA 123 HA ALA 123 22.190 16.152 1.655 977 1HB ALA 123 1HB ALA 123 20.881 17.651 0.253 978 2HB ALA 123 2HB ALA 123 19.806 16.916 1.463 979 3HB ALA 123 3HB ALA 123 20.377 18.598 1.650 980 H ASP 124 H ASP 124 22.489 19.030 3.635 981 HA ASP 124 HA ASP 124 24.266 20.574 2.053 982 1HB ASP 124 1HB ASP 124 22.943 21.040 4.328 983 2HB ASP 124 2HB ASP 124 24.455 20.540 5.072 984 H ASN 125 H ASN 125 24.800 18.189 4.584 985 HA ASN 125 HA ASN 125 26.667 17.444 5.631 986 1HB ASN 125 1HB ASN 125 25.933 15.858 3.672 987 2HB ASN 125 2HB ASN 125 27.501 16.246 3.000 988 1HD2 ASN 125 1HD2 ASN 125 29.418 15.215 4.092 989 2HD2 ASN 125 2HD2 ASN 125 29.117 14.155 5.451 990 H ASN 126 H ASN 126 27.391 19.774 5.679 991 HA ASN 126 HA ASN 126 29.437 20.801 4.067 992 1HB ASN 126 1HB ASN 126 29.625 22.537 5.756 993 2HB ASN 126 2HB ASN 126 27.966 22.176 5.323 994 1HD2 ASN 126 1HD2 ASN 126 27.544 23.394 7.338 995 2HD2 ASN 126 2HD2 ASN 126 27.625 22.517 8.878 996 H ILE 127 H ILE 127 30.042 18.133 5.479 997 HA ILE 127 HA ILE 127 32.544 18.594 6.932 998 HB ILE 127 HB ILE 127 31.091 16.119 5.880 999 1HG1 ILE 127 1HG1 ILE 127 31.437 17.153 8.739 1000 2HG1 ILE 127 2HG1 ILE 127 29.988 17.394 7.772 1001 1HG2 ILE 127 1HG2 ILE 127 33.581 16.226 7.637 1002 2HG2 ILE 127 2HG2 ILE 127 32.636 14.757 7.275 1003 3HG2 ILE 127 3HG2 ILE 127 33.467 15.583 5.980 1004 1HD1 ILE 127 1HD1 ILE 127 29.677 14.920 7.625 1005 2HD1 ILE 127 2HD1 ILE 127 31.007 14.737 8.800 1006 3HD1 ILE 127 3HD1 ILE 127 29.538 15.606 9.254 1007 H GLN 128 H GLN 128 31.409 18.677 3.698 1008 HA GLN 128 HA GLN 128 34.055 18.852 2.539 1009 1HB GLN 128 1HB GLN 128 31.788 17.081 1.494 1010 2HB GLN 128 2HB GLN 128 33.117 17.680 0.486 1011 1HG GLN 128 1HG GLN 128 34.752 16.504 1.917 1012 2HG GLN 128 2HG GLN 128 33.447 15.894 2.929 1013 1HE2 GLN 128 1HE2 GLN 128 32.337 15.857 -0.320 1014 2HE2 GLN 128 2HE2 GLN 128 32.761 14.197 -0.697 Start of MODEL 7 1 1H MET 1 H MET 1 12.218 12.541 11.784 2 HA MET 1 HA MET 1 13.041 11.739 9.112 3 1HB MET 1 1HB MET 1 14.603 11.239 10.962 4 2HB MET 1 2HB MET 1 13.337 10.334 11.798 5 1HG MET 1 1HG MET 1 14.697 8.758 10.665 6 2HG MET 1 2HG MET 1 13.178 8.812 9.799 7 1HE MET 1 1HE MET 1 17.046 9.042 9.521 8 2HE MET 1 2HE MET 1 17.259 10.401 8.391 9 3HE MET 1 3HE MET 1 16.580 10.684 10.008 10 H LYS 2 H LYS 2 11.233 10.049 11.774 11 HA LYS 2 HA LYS 2 10.407 8.181 9.758 12 1HB LYS 2 1HB LYS 2 11.043 7.530 12.028 13 2HB LYS 2 2HB LYS 2 9.692 8.441 12.711 14 1HG LYS 2 1HG LYS 2 8.116 6.849 12.107 15 2HG LYS 2 2HG LYS 2 9.013 6.331 10.690 16 1HD LYS 2 1HD LYS 2 9.014 4.530 12.230 17 2HD LYS 2 2HD LYS 2 10.663 5.161 12.103 18 1HE LYS 2 1HE LYS 2 10.230 6.488 14.214 19 2HE LYS 2 2HE LYS 2 8.648 5.698 14.336 20 1HZ LYS 2 1HZ LYS 2 11.298 4.392 14.462 21 2HZ LYS 2 2HZ LYS 2 10.214 4.548 15.674 22 3HZ LYS 2 3HZ LYS 2 9.872 3.561 14.396 23 H ALA 3 H ALA 3 8.337 7.624 9.052 24 HA ALA 3 HA ALA 3 6.522 9.759 8.591 25 1HB ALA 3 1HB ALA 3 6.755 7.775 7.125 26 2HB ALA 3 2HB ALA 3 6.101 6.742 8.416 27 3HB ALA 3 3HB ALA 3 5.073 7.983 7.667 28 H LEU 4 H LEU 4 4.802 10.458 9.808 29 HA LEU 4 HA LEU 4 3.701 8.872 12.042 30 1HB LEU 4 1HB LEU 4 5.427 10.549 12.826 31 2HB LEU 4 2HB LEU 4 4.270 11.808 12.386 32 HG LEU 4 HG LEU 4 3.606 9.393 14.164 33 1HD1 LEU 4 1HD1 LEU 4 4.490 12.177 14.925 34 2HD1 LEU 4 2HD1 LEU 4 3.874 10.947 16.060 35 3HD1 LEU 4 3HD1 LEU 4 5.386 10.662 15.160 36 1HD2 LEU 4 1HD2 LEU 4 1.558 10.386 13.307 37 2HD2 LEU 4 2HD2 LEU 4 1.738 10.832 14.998 38 3HD2 LEU 4 3HD2 LEU 4 2.130 12.019 13.729 39 H GLU 5 H GLU 5 2.041 8.411 10.663 40 HA GLU 5 HA GLU 5 0.910 9.870 8.663 41 1HB GLU 5 1HB GLU 5 -0.967 8.198 10.303 42 2HB GLU 5 2HB GLU 5 -0.890 8.434 8.579 43 1HG GLU 5 1HG GLU 5 -0.114 6.255 8.833 44 2HG GLU 5 2HG GLU 5 1.405 7.149 8.739 45 H HIS 6 H HIS 6 -0.847 9.669 11.744 46 HA HIS 6 HA HIS 6 -2.286 11.041 12.803 47 1HB HIS 6 1HB HIS 6 -0.063 12.334 12.976 48 2HB HIS 6 2HB HIS 6 -0.720 13.411 11.755 49 HD1 HIS 6 HD1 HIS 6 -3.043 14.751 12.554 50 HD2 HIS 6 HD2 HIS 6 -0.809 12.671 15.483 51 HE1 HIS 6 HE1 HIS 6 -3.741 15.711 14.844 52 HE2 HIS 6 HE2 HIS 6 -2.426 14.404 16.618 53 H GLU 7 H GLU 7 -2.898 10.180 10.177 54 HA GLU 7 HA GLU 7 -4.287 10.518 8.363 55 1HB GLU 7 1HB GLU 7 -5.887 12.078 10.443 56 2HB GLU 7 2HB GLU 7 -6.481 11.423 8.923 57 1HG GLU 7 1HG GLU 7 -7.210 9.767 10.205 58 2HG GLU 7 2HG GLU 7 -5.609 9.111 9.940 59 H LYS 8 H LYS 8 -2.089 12.339 8.270 60 HA LYS 8 HA LYS 8 -2.755 15.036 7.921 61 1HB LYS 8 1HB LYS 8 -0.414 13.396 7.577 62 2HB LYS 8 2HB LYS 8 -0.667 14.212 6.055 63 1HG LYS 8 1HG LYS 8 0.720 15.667 7.317 64 2HG LYS 8 2HG LYS 8 -0.882 16.386 7.292 65 1HD LYS 8 1HD LYS 8 -0.521 16.644 9.513 66 2HD LYS 8 2HD LYS 8 -1.086 14.985 9.634 67 1HE LYS 8 1HE LYS 8 1.805 15.975 9.536 68 2HE LYS 8 2HE LYS 8 0.950 15.341 10.932 69 1HZ LYS 8 1HZ LYS 8 0.793 13.187 9.599 70 2HZ LYS 8 2HZ LYS 8 1.944 13.834 8.604 71 3HZ LYS 8 3HZ LYS 8 2.260 13.612 10.170 72 H THR 9 H THR 9 -4.057 15.949 6.568 73 HA THR 9 HA THR 9 -5.616 16.173 4.874 74 HB THR 9 HB THR 9 -4.296 16.908 2.834 75 HG1 THR 9 1HG THR 9 -2.422 15.692 3.370 76 1HG2 THR 9 1HG2 THR 9 -3.539 18.962 3.985 77 2HG2 THR 9 2HG2 THR 9 -5.139 18.466 4.551 78 3HG2 THR 9 3HG2 THR 9 -3.710 18.156 5.560 79 HA PRO 10 HA PRO 10 -5.539 11.866 3.336 80 1HB PRO 10 1HB PRO 10 -8.287 11.488 3.218 81 2HB PRO 10 2HB PRO 10 -7.264 11.258 4.669 82 1HG PRO 10 1HG PRO 10 -8.847 13.719 3.855 83 2HG PRO 10 2HG PRO 10 -8.838 12.899 5.448 84 1HD PRO 10 1HD PRO 10 -7.320 15.048 5.051 85 2HD PRO 10 2HD PRO 10 -6.622 13.649 5.919 86 H GLU 11 H GLU 11 -6.735 14.746 1.750 87 HA GLU 11 HA GLU 11 -7.450 13.277 -0.726 88 1HB GLU 11 1HB GLU 11 -6.972 16.235 -0.212 89 2HB GLU 11 2HB GLU 11 -7.486 15.525 -1.741 90 1HG GLU 11 1HG GLU 11 -9.493 14.559 -0.358 91 2HG GLU 11 2HG GLU 11 -9.010 15.758 0.851 92 H LEU 12 H LEU 12 -4.862 15.392 0.540 93 HA LEU 12 HA LEU 12 -3.275 15.322 -1.867 94 1HB LEU 12 1HB LEU 12 -3.213 16.971 0.251 95 2HB LEU 12 2HB LEU 12 -2.080 15.798 0.867 96 HG LEU 12 HG LEU 12 -0.779 17.492 -0.132 97 1HD1 LEU 12 1HD1 LEU 12 0.431 16.606 -2.004 98 2HD1 LEU 12 2HD1 LEU 12 -0.008 15.218 -1.006 99 3HD1 LEU 12 3HD1 LEU 12 -0.909 15.559 -2.489 100 1HD2 LEU 12 1HD2 LEU 12 -1.158 18.480 -2.317 101 2HD2 LEU 12 2HD2 LEU 12 -2.515 17.368 -2.614 102 3HD2 LEU 12 3HD2 LEU 12 -2.623 18.602 -1.331 103 H ALA 13 H ALA 13 -3.465 13.435 1.133 104 HA ALA 13 HA ALA 13 -1.216 11.730 0.659 105 1HB ALA 13 1HB ALA 13 -2.385 12.042 2.861 106 2HB ALA 13 2HB ALA 13 -3.779 11.148 2.209 107 3HB ALA 13 3HB ALA 13 -2.215 10.346 2.407 108 H ALA 14 H ALA 14 -4.745 11.423 -0.174 109 HA ALA 14 HA ALA 14 -4.431 8.824 -1.351 110 1HB ALA 14 1HB ALA 14 -6.653 9.247 -2.347 111 2HB ALA 14 2HB ALA 14 -6.611 9.639 -0.627 112 3HB ALA 14 3HB ALA 14 -6.565 10.947 -1.837 113 H LYS 15 H LYS 15 -3.932 12.075 -2.629 114 HA LYS 15 HA LYS 15 -3.641 11.119 -5.473 115 1HB LYS 15 1HB LYS 15 -3.157 13.780 -4.068 116 2HB LYS 15 2HB LYS 15 -3.003 13.516 -5.809 117 1HG LYS 15 1HG LYS 15 -5.375 12.960 -6.003 118 2HG LYS 15 2HG LYS 15 -5.597 12.969 -4.263 119 1HD LYS 15 1HD LYS 15 -5.056 15.362 -4.138 120 2HD LYS 15 2HD LYS 15 -4.786 15.389 -5.896 121 1HE LYS 15 1HE LYS 15 -7.151 14.635 -6.239 122 2HE LYS 15 2HE LYS 15 -7.376 14.604 -4.481 123 1HZ LYS 15 1HZ LYS 15 -8.253 16.632 -5.343 124 2HZ LYS 15 2HZ LYS 15 -6.913 17.008 -4.495 125 3HZ LYS 15 3HZ LYS 15 -6.880 16.989 -6.151 126 H LEU 16 H LEU 16 -1.552 12.093 -2.784 127 HA LEU 16 HA LEU 16 0.938 11.800 -4.130 128 1HB LEU 16 1HB LEU 16 0.640 12.820 -1.936 129 2HB LEU 16 2HB LEU 16 0.202 11.268 -1.238 130 HG LEU 16 HG LEU 16 2.461 11.973 -0.716 131 1HD1 LEU 16 1HD1 LEU 16 1.768 9.445 -1.249 132 2HD1 LEU 16 2HD1 LEU 16 3.073 9.626 -2.443 133 3HD1 LEU 16 3HD1 LEU 16 3.382 9.928 -0.741 134 1HD2 LEU 16 1HD2 LEU 16 3.183 11.628 -3.640 135 2HD2 LEU 16 2HD2 LEU 16 2.891 13.191 -2.863 136 3HD2 LEU 16 3HD2 LEU 16 4.220 12.162 -2.313 137 H ALA 17 H ALA 17 -1.309 9.383 -2.786 138 HA ALA 17 HA ALA 17 0.143 7.065 -2.964 139 1HB ALA 17 1HB ALA 17 -2.634 7.180 -4.165 140 2HB ALA 17 2HB ALA 17 -1.870 5.867 -3.272 141 3HB ALA 17 3HB ALA 17 -2.390 7.336 -2.419 142 H ALA 18 H ALA 18 -1.074 8.984 -5.689 143 HA ALA 18 HA ALA 18 -0.743 7.113 -7.788 144 1HB ALA 18 1HB ALA 18 -2.061 9.295 -7.732 145 2HB ALA 18 2HB ALA 18 -0.529 10.156 -7.914 146 3HB ALA 18 3HB ALA 18 -1.083 9.052 -9.188 147 H GLU 19 H GLU 19 1.460 9.492 -6.281 148 HA GLU 19 HA GLU 19 3.747 8.905 -8.009 149 1HB GLU 19 1HB GLU 19 3.994 10.108 -5.255 150 2HB GLU 19 2HB GLU 19 4.952 10.431 -6.680 151 1HG GLU 19 1HG GLU 19 2.100 11.394 -6.174 152 2HG GLU 19 2HG GLU 19 3.551 12.318 -5.886 153 H ALA 20 H ALA 20 2.419 7.868 -4.867 154 HA ALA 20 HA ALA 20 4.700 6.512 -3.917 155 1HB ALA 20 1HB ALA 20 1.836 5.640 -3.385 156 2HB ALA 20 2HB ALA 20 3.244 5.432 -2.345 157 3HB ALA 20 3HB ALA 20 2.582 7.069 -2.627 158 H ILE 21 H ILE 21 2.134 5.502 -6.088 159 HA ILE 21 HA ILE 21 2.948 2.768 -6.428 160 HB ILE 21 HB ILE 21 1.206 4.843 -7.797 161 1HG1 ILE 21 1HG1 ILE 21 0.645 2.025 -6.893 162 2HG1 ILE 21 2HG1 ILE 21 0.501 3.443 -5.851 163 1HG2 ILE 21 1HG2 ILE 21 2.134 3.998 -9.780 164 2HG2 ILE 21 2HG2 ILE 21 2.069 2.329 -9.213 165 3HG2 ILE 21 3HG2 ILE 21 0.578 3.205 -9.621 166 1HD1 ILE 21 1HD1 ILE 21 -1.132 2.810 -8.307 167 2HD1 ILE 21 2HD1 ILE 21 -1.680 2.835 -6.631 168 3HD1 ILE 21 3HD1 ILE 21 -1.218 4.359 -7.432 169 H GLU 22 H GLU 22 4.091 5.830 -7.877 170 HA GLU 22 HA GLU 22 5.689 4.487 -9.876 171 1HB GLU 22 1HB GLU 22 4.900 6.749 -10.157 172 2HB GLU 22 2HB GLU 22 5.822 7.308 -8.762 173 1HG GLU 22 1HG GLU 22 7.925 6.906 -9.820 174 2HG GLU 22 2HG GLU 22 7.146 5.974 -11.119 175 H ARG 23 H ARG 23 6.014 4.975 -6.432 176 HA ARG 23 HA ARG 23 8.889 4.311 -6.528 177 1HB ARG 23 1HB ARG 23 7.802 5.984 -4.819 178 2HB ARG 23 2HB ARG 23 7.363 4.521 -3.938 179 1HG ARG 23 1HG ARG 23 9.747 3.867 -3.825 180 2HG ARG 23 2HG ARG 23 10.186 5.224 -4.884 181 1HD ARG 23 1HD ARG 23 9.215 6.790 -3.147 182 2HD ARG 23 2HD ARG 23 9.036 5.399 -2.087 183 HE ARG 23 HE ARG 23 11.539 5.074 -2.410 184 1HH1 ARG 23 2HH2 ARG 23 10.314 8.399 -2.826 185 2HH1 ARG 23 1HH2 ARG 23 11.634 9.096 -1.918 186 1HH2 ARG 23 2HH1 ARG 23 13.258 6.107 -1.175 187 2HH2 ARG 23 1HH1 ARG 23 13.231 7.843 -1.041 188 H ASP 24 H ASP 24 5.932 2.941 -4.968 189 HA ASP 24 HA ASP 24 7.213 0.433 -4.381 190 1HB ASP 24 1HB ASP 24 5.502 1.502 -2.924 191 2HB ASP 24 2HB ASP 24 4.313 1.247 -4.142 192 HA PRO 25 HA PRO 25 5.795 -1.252 -8.391 193 1HB PRO 25 1HB PRO 25 7.032 -3.702 -8.235 194 2HB PRO 25 2HB PRO 25 7.872 -2.190 -8.704 195 1HG PRO 25 1HG PRO 25 7.737 -3.499 -5.981 196 2HG PRO 25 2HG PRO 25 9.190 -2.880 -6.836 197 1HD PRO 25 1HD PRO 25 7.968 -1.421 -4.946 198 2HD PRO 25 2HD PRO 25 8.623 -0.651 -6.425 199 H TRP 26 H TRP 26 5.316 -2.622 -5.092 200 HA TRP 26 HA TRP 26 3.373 -4.585 -6.114 201 1HB TRP 26 1HB TRP 26 4.371 -5.164 -4.015 202 2HB TRP 26 2HB TRP 26 3.929 -3.603 -3.302 203 HD1 TRP 26 HD TRP 26 1.803 -3.581 -1.991 204 HE1 TRP 26 1HE TRP 26 -0.328 -4.961 -1.745 205 HE3 TRP 26 3HE TRP 26 2.708 -6.939 -5.702 206 HZ2 TRP 26 2HZ TRP 26 -1.531 -7.298 -3.110 207 HZ3 TRP 26 3HZ TRP 26 1.179 -8.829 -6.113 208 HH2 TRP 26 HH TRP 26 -1.001 -8.958 -4.896 209 H ALA 27 H ALA 27 3.192 -1.303 -4.511 210 HA ALA 27 HA ALA 27 0.412 -1.041 -4.720 211 1HB ALA 27 1HB ALA 27 0.747 1.335 -4.634 212 2HB ALA 27 2HB ALA 27 2.052 0.631 -3.667 213 3HB ALA 27 3HB ALA 27 2.392 1.177 -5.296 214 H ALA 28 H ALA 28 2.908 -0.460 -7.251 215 HA ALA 28 HA ALA 28 1.106 0.460 -9.245 216 1HB ALA 28 1HB ALA 28 2.913 -0.021 -10.817 217 2HB ALA 28 2HB ALA 28 3.652 0.594 -9.321 218 3HB ALA 28 3HB ALA 28 3.689 -1.138 -9.683 219 H GLN 29 H GLN 29 2.253 -2.808 -8.379 220 HA GLN 29 HA GLN 29 0.869 -4.235 -10.420 221 1HB GLN 29 1HB GLN 29 1.857 -5.032 -7.670 222 2HB GLN 29 2HB GLN 29 0.893 -6.131 -8.630 223 1HG GLN 29 1HG GLN 29 2.508 -6.110 -10.437 224 2HG GLN 29 2HG GLN 29 3.440 -4.832 -9.667 225 1HE2 GLN 29 1HE2 GLN 29 5.333 -5.756 -8.955 226 2HE2 GLN 29 2HE2 GLN 29 5.440 -7.213 -7.971 227 H VAL 30 H VAL 30 -0.278 -3.135 -7.155 228 HA VAL 30 HA VAL 30 -2.781 -4.455 -7.359 229 HB VAL 30 HB VAL 30 -2.051 -1.870 -5.894 230 1HG1 VAL 30 1HG1 VAL 30 -4.037 -2.326 -4.452 231 2HG1 VAL 30 2HG1 VAL 30 -4.479 -1.894 -6.105 232 3HG1 VAL 30 3HG1 VAL 30 -4.542 -3.592 -5.598 233 1HG2 VAL 30 1HG2 VAL 30 -0.790 -3.813 -5.115 234 2HG2 VAL 30 2HG2 VAL 30 -1.999 -3.390 -3.914 235 3HG2 VAL 30 3HG2 VAL 30 -2.262 -4.774 -5.024 236 H SER 31 H SER 31 -1.761 -1.316 -8.651 237 HA SER 31 HA SER 31 -4.371 -0.602 -9.646 238 1HB SER 31 1HB SER 31 -1.519 0.314 -10.007 239 2HB SER 31 2HB SER 31 -2.716 0.817 -11.211 240 HG SER 31 HG SER 31 -2.616 2.314 -9.549 241 H GLN 32 H GLN 32 -1.816 -2.690 -10.878 242 HA GLN 32 HA GLN 32 -2.969 -2.807 -13.583 243 1HB GLN 32 1HB GLN 32 -0.542 -2.919 -13.192 244 2HB GLN 32 2HB GLN 32 -0.743 -4.360 -12.190 245 1HG GLN 32 1HG GLN 32 -1.492 -5.668 -14.083 246 2HG GLN 32 2HG GLN 32 -1.555 -4.223 -15.106 247 1HE2 GLN 32 1HE2 GLN 32 1.127 -4.972 -12.818 248 2HE2 GLN 32 2HE2 GLN 32 2.293 -5.409 -14.054 249 H LEU 33 H LEU 33 -3.041 -4.623 -10.579 250 HA LEU 33 HA LEU 33 -4.404 -6.994 -11.593 251 1HB LEU 33 1HB LEU 33 -4.061 -5.850 -8.776 252 2HB LEU 33 2HB LEU 33 -4.803 -7.400 -9.167 253 HG LEU 33 HG LEU 33 -1.890 -6.682 -9.224 254 1HD1 LEU 33 1HD1 LEU 33 -3.370 -9.040 -8.041 255 2HD1 LEU 33 2HD1 LEU 33 -1.665 -8.591 -7.821 256 3HD1 LEU 33 3HD1 LEU 33 -2.932 -7.557 -7.155 257 1HD2 LEU 33 1HD2 LEU 33 -3.268 -8.901 -10.734 258 2HD2 LEU 33 2HD2 LEU 33 -2.169 -7.665 -11.348 259 3HD2 LEU 33 3HD2 LEU 33 -1.548 -8.930 -10.267 260 H SER 34 H SER 34 -5.278 -3.901 -10.603 261 HA SER 34 HA SER 34 -7.239 -2.730 -10.276 262 1HB SER 34 1HB SER 34 -8.008 -4.621 -12.533 263 2HB SER 34 2HB SER 34 -8.883 -3.148 -12.087 264 HG SER 34 HG SER 34 -6.938 -1.977 -12.446 265 H LEU 35 H LEU 35 -7.229 -4.047 -8.154 266 HA LEU 35 HA LEU 35 -9.122 -6.158 -7.790 267 1HB LEU 35 1HB LEU 35 -7.515 -4.349 -5.984 268 2HB LEU 35 2HB LEU 35 -8.822 -5.281 -5.270 269 HG LEU 35 HG LEU 35 -7.869 -7.368 -5.788 270 1HD1 LEU 35 1HD1 LEU 35 -5.750 -7.641 -7.068 271 2HD1 LEU 35 2HD1 LEU 35 -7.051 -7.035 -8.085 272 3HD1 LEU 35 3HD1 LEU 35 -5.819 -5.903 -7.481 273 1HD2 LEU 35 1HD2 LEU 35 -6.747 -6.204 -3.932 274 2HD2 LEU 35 2HD2 LEU 35 -5.617 -7.248 -4.784 275 3HD2 LEU 35 3HD2 LEU 35 -5.578 -5.498 -5.050 276 HA PRO 36 HA PRO 36 -12.949 -3.971 -7.168 277 1HB PRO 36 1HB PRO 36 -14.310 -5.611 -5.426 278 2HB PRO 36 2HB PRO 36 -13.995 -5.982 -7.138 279 1HG PRO 36 1HG PRO 36 -12.358 -6.880 -4.751 280 2HG PRO 36 2HG PRO 36 -13.013 -7.889 -6.082 281 1HD PRO 36 1HD PRO 36 -10.462 -7.005 -6.097 282 2HD PRO 36 2HD PRO 36 -11.418 -7.005 -7.605 283 H LYS 37 H LYS 37 -13.200 -4.950 -3.718 284 HA LYS 37 HA LYS 37 -11.894 -2.421 -2.986 285 1HB LYS 37 1HB LYS 37 -14.367 -1.930 -3.383 286 2HB LYS 37 2HB LYS 37 -14.714 -2.970 -2.024 287 1HG LYS 37 1HG LYS 37 -14.689 -0.875 -1.032 288 2HG LYS 37 2HG LYS 37 -13.102 -1.465 -0.632 289 1HD LYS 37 1HD LYS 37 -13.837 0.571 -2.772 290 2HD LYS 37 2HD LYS 37 -13.049 0.869 -1.229 291 1HE LYS 37 1HE LYS 37 -11.081 -0.476 -2.008 292 2HE LYS 37 2HE LYS 37 -11.875 -0.644 -3.590 293 1HZ LYS 37 1HZ LYS 37 -10.998 1.885 -2.378 294 2HZ LYS 37 2HZ LYS 37 -10.310 1.101 -3.631 295 3HZ LYS 37 3HZ LYS 37 -11.809 1.747 -3.822 296 H LEU 38 H LEU 38 -13.809 -4.947 -1.333 297 HA LEU 38 HA LEU 38 -12.363 -4.889 1.126 298 1HB LEU 38 1HB LEU 38 -14.381 -6.284 0.807 299 2HB LEU 38 2HB LEU 38 -13.567 -7.242 -0.428 300 HG LEU 38 HG LEU 38 -11.910 -8.010 1.365 301 1HD1 LEU 38 1HD1 LEU 38 -12.675 -7.808 3.691 302 2HD1 LEU 38 2HD1 LEU 38 -12.348 -6.205 3.003 303 3HD1 LEU 38 3HD1 LEU 38 -14.022 -6.775 3.174 304 1HD2 LEU 38 1HD2 LEU 38 -13.549 -9.605 2.376 305 2HD2 LEU 38 2HD2 LEU 38 -14.851 -8.700 1.607 306 3HD2 LEU 38 3HD2 LEU 38 -13.633 -9.505 0.601 307 H VAL 39 H VAL 39 -11.738 -6.663 -1.906 308 HA VAL 39 HA VAL 39 -9.321 -7.888 -0.989 309 HB VAL 39 HB VAL 39 -10.104 -7.387 -3.888 310 1HG1 VAL 39 1HG1 VAL 39 -7.864 -8.351 -3.501 311 2HG1 VAL 39 2HG1 VAL 39 -8.571 -9.650 -2.530 312 3HG1 VAL 39 3HG1 VAL 39 -8.933 -9.528 -4.268 313 1HG2 VAL 39 1HG2 VAL 39 -11.239 -9.712 -3.639 314 2HG2 VAL 39 2HG2 VAL 39 -11.222 -9.375 -1.894 315 3HG2 VAL 39 3HG2 VAL 39 -12.107 -8.328 -2.993 316 H GLU 40 H GLU 40 -10.014 -4.794 -2.661 317 HA GLU 40 HA GLU 40 -7.272 -4.133 -3.286 318 1HB GLU 40 1HB GLU 40 -9.192 -2.937 -4.317 319 2HB GLU 40 2HB GLU 40 -9.625 -2.284 -2.734 320 1HG GLU 40 1HG GLU 40 -7.332 -1.213 -2.621 321 2HG GLU 40 2HG GLU 40 -7.080 -1.709 -4.294 322 H GLN 41 H GLN 41 -9.398 -3.572 -0.422 323 HA GLN 41 HA GLN 41 -7.522 -2.101 1.062 324 1HB GLN 41 1HB GLN 41 -10.036 -2.451 1.445 325 2HB GLN 41 2HB GLN 41 -9.618 -3.947 2.275 326 1HG GLN 41 1HG GLN 41 -8.432 -2.793 3.992 327 2HG GLN 41 2HG GLN 41 -8.277 -1.330 3.013 328 1HE2 GLN 41 1HE2 GLN 41 -9.995 -2.570 5.604 329 2HE2 GLN 41 2HE2 GLN 41 -11.415 -1.531 5.457 330 H VAL 42 H VAL 42 -7.964 -5.607 0.736 331 HA VAL 42 HA VAL 42 -6.067 -6.394 2.749 332 HB VAL 42 HB VAL 42 -7.492 -7.694 0.414 333 1HG1 VAL 42 1HG1 VAL 42 -5.483 -9.189 2.120 334 2HG1 VAL 42 2HG1 VAL 42 -6.614 -9.887 0.941 335 3HG1 VAL 42 3HG1 VAL 42 -5.314 -8.839 0.388 336 1HG2 VAL 42 1HG2 VAL 42 -8.511 -8.941 2.244 337 2HG2 VAL 42 2HG2 VAL 42 -7.417 -8.140 3.412 338 3HG2 VAL 42 3HG2 VAL 42 -8.630 -7.196 2.523 339 H ALA 43 H ALA 43 -5.746 -5.998 -0.846 340 HA ALA 43 HA ALA 43 -2.962 -6.572 -0.831 341 1HB ALA 43 1HB ALA 43 -4.630 -4.907 -2.759 342 2HB ALA 43 2HB ALA 43 -2.994 -5.521 -3.056 343 3HB ALA 43 3HB ALA 43 -4.329 -6.667 -2.851 344 H LEU 44 H LEU 44 -4.791 -3.650 -0.187 345 HA LEU 44 HA LEU 44 -2.672 -1.785 -0.438 346 1HB LEU 44 1HB LEU 44 -5.407 -1.678 0.794 347 2HB LEU 44 2HB LEU 44 -4.277 -0.393 1.147 348 HG LEU 44 HG LEU 44 -5.083 -1.142 -1.687 349 1HD1 LEU 44 1HD1 LEU 44 -7.000 -0.289 -0.375 350 2HD1 LEU 44 2HD1 LEU 44 -6.033 1.109 0.154 351 3HD1 LEU 44 3HD1 LEU 44 -6.468 0.910 -1.554 352 1HD2 LEU 44 1HD2 LEU 44 -2.902 -0.007 -1.634 353 2HD2 LEU 44 2HD2 LEU 44 -4.140 1.091 -2.230 354 3HD2 LEU 44 3HD2 LEU 44 -3.556 1.254 -0.563 355 H ASN 45 H ASN 45 -3.987 -3.737 2.259 356 HA ASN 45 HA ASN 45 -2.172 -2.294 4.127 357 1HB ASN 45 1HB ASN 45 -4.640 -3.993 4.567 358 2HB ASN 45 2HB ASN 45 -3.541 -3.518 5.864 359 1HD2 ASN 45 1HD2 ASN 45 -5.831 -2.246 3.494 360 2HD2 ASN 45 2HD2 ASN 45 -5.958 -0.628 4.201 361 H ALA 46 H ALA 46 -1.318 -4.384 2.043 362 HA ALA 46 HA ALA 46 0.341 -5.832 3.986 363 1HB ALA 46 1HB ALA 46 -1.459 -7.396 3.214 364 2HB ALA 46 2HB ALA 46 -1.048 -7.014 1.540 365 3HB ALA 46 3HB ALA 46 0.123 -7.881 2.563 366 H TRP 47 H TRP 47 2.343 -6.488 3.140 367 HA TRP 47 HA TRP 47 3.181 -5.112 0.605 368 1HB TRP 47 1HB TRP 47 5.479 -5.192 1.425 369 2HB TRP 47 2HB TRP 47 4.481 -4.183 2.396 370 HD1 TRP 47 HD TRP 47 3.701 -5.126 4.802 371 HE1 TRP 47 1HE TRP 47 4.991 -6.496 6.510 372 HE3 TRP 47 3HE TRP 47 7.061 -7.350 1.633 373 HZ2 TRP 47 2HZ TRP 47 7.163 -8.402 6.494 374 HZ3 TRP 47 3HZ TRP 47 8.648 -9.023 2.537 375 HH2 TRP 47 HH TRP 47 8.711 -9.565 4.923 376 H LYS 48 H LYS 48 4.284 -6.397 -0.901 377 HA LYS 48 HA LYS 48 3.508 -9.227 -0.664 378 1HB LYS 48 1HB LYS 48 2.712 -7.786 -2.510 379 2HB LYS 48 2HB LYS 48 4.327 -7.556 -3.077 380 1HG LYS 48 1HG LYS 48 3.840 -10.388 -2.783 381 2HG LYS 48 2HG LYS 48 2.473 -9.680 -3.621 382 1HD LYS 48 1HD LYS 48 4.004 -10.408 -5.315 383 2HD LYS 48 2HD LYS 48 4.115 -8.645 -5.285 384 1HE LYS 48 1HE LYS 48 6.146 -8.747 -3.951 385 2HE LYS 48 2HE LYS 48 5.958 -10.490 -3.756 386 1HZ LYS 48 1HZ LYS 48 6.327 -9.234 -6.393 387 2HZ LYS 48 2HZ LYS 48 7.617 -9.655 -5.459 388 3HZ LYS 48 3HZ LYS 48 6.572 -10.795 -6.040 389 H GLU 49 H GLU 49 4.977 -10.585 0.134 390 HA GLU 49 HA GLU 49 7.854 -10.260 -0.513 391 1HB GLU 49 1HB GLU 49 7.070 -10.694 1.903 392 2HB GLU 49 2HB GLU 49 6.451 -12.235 1.336 393 1HG GLU 49 1HG GLU 49 8.516 -12.707 2.332 394 2HG GLU 49 2HG GLU 49 8.834 -12.830 0.613 395 H GLU 50 H GLU 50 8.802 -12.399 -1.448 396 HA GLU 50 HA GLU 50 6.825 -14.087 -2.822 397 1HB GLU 50 1HB GLU 50 6.945 -12.320 -4.334 398 2HB GLU 50 2HB GLU 50 8.659 -12.064 -4.092 399 1HG GLU 50 1HG GLU 50 9.151 -14.147 -5.335 400 2HG GLU 50 2HG GLU 50 7.406 -14.380 -5.608 401 H SER 51 H SER 51 7.758 -15.957 -3.738 402 HA SER 51 HA SER 51 10.379 -16.803 -2.658 403 1HB SER 51 1HB SER 51 7.908 -18.527 -3.055 404 2HB SER 51 2HB SER 51 9.440 -19.011 -2.310 405 HG SER 51 HG SER 51 7.445 -17.229 -1.341 406 H ASP 52 H ASP 52 10.990 -18.843 -4.069 407 HA ASP 52 HA ASP 52 11.435 -18.104 -6.716 408 1HB ASP 52 1HB ASP 52 11.242 -20.853 -5.434 409 2HB ASP 52 2HB ASP 52 11.747 -20.614 -7.096 410 H ASN 53 H ASN 53 8.708 -19.987 -5.419 411 HA ASN 53 HA ASN 53 7.320 -19.864 -8.069 412 1HB ASN 53 1HB ASN 53 7.381 -22.126 -6.021 413 2HB ASN 53 2HB ASN 53 6.453 -22.104 -7.514 414 1HD2 ASN 53 1HD2 ASN 53 9.666 -22.702 -6.139 415 2HD2 ASN 53 2HD2 ASN 53 10.431 -22.982 -7.690 416 H ALA 54 H ALA 54 7.003 -18.363 -5.150 417 HA ALA 54 HA ALA 54 4.065 -18.574 -5.157 418 1HB ALA 54 1HB ALA 54 4.778 -20.364 -3.588 419 2HB ALA 54 2HB ALA 54 5.744 -19.187 -2.672 420 3HB ALA 54 3HB ALA 54 3.978 -19.046 -2.721 421 H VAL 55 H VAL 55 3.180 -16.959 -3.375 422 HA VAL 55 HA VAL 55 4.904 -14.638 -3.067 423 HB VAL 55 HB VAL 55 2.201 -14.618 -4.486 424 1HG1 VAL 55 1HG1 VAL 55 2.572 -12.168 -4.652 425 2HG1 VAL 55 2HG1 VAL 55 2.422 -12.665 -2.962 426 3HG1 VAL 55 3HG1 VAL 55 4.030 -12.345 -3.661 427 1HG2 VAL 55 1HG2 VAL 55 4.125 -15.157 -6.015 428 2HG2 VAL 55 2HG2 VAL 55 3.474 -13.554 -6.351 429 3HG2 VAL 55 3HG2 VAL 55 4.981 -13.733 -5.432 430 H CYS 56 H CYS 56 4.443 -13.670 -1.216 431 HA CYS 56 HA CYS 56 2.188 -14.634 0.513 432 1HB CYS 56 1HB CYS 56 5.084 -14.238 1.345 433 2HB CYS 56 2HB CYS 56 3.740 -14.443 2.478 434 HG CYS 56 HG CYS 56 5.093 -16.700 2.306 435 H LEU 57 H LEU 57 0.872 -12.915 0.679 436 HA LEU 57 HA LEU 57 1.973 -10.187 0.823 437 1HB LEU 57 1HB LEU 57 -0.796 -11.376 0.656 438 2HB LEU 57 2HB LEU 57 -0.603 -9.752 1.311 439 HG LEU 57 HG LEU 57 0.598 -10.551 -1.356 440 1HD1 LEU 57 1HD1 LEU 57 -1.250 -9.677 -2.505 441 2HD1 LEU 57 2HD1 LEU 57 -1.976 -10.681 -1.233 442 3HD1 LEU 57 3HD1 LEU 57 -1.949 -8.933 -1.044 443 1HD2 LEU 57 1HD2 LEU 57 0.774 -8.204 -1.739 444 2HD2 LEU 57 2HD2 LEU 57 -0.157 -7.780 -0.304 445 3HD2 LEU 57 3HD2 LEU 57 1.460 -8.449 -0.143 446 H HIS 58 H HIS 58 2.870 -9.586 2.616 447 HA HIS 58 HA HIS 58 2.163 -10.654 5.273 448 1HB HIS 58 1HB HIS 58 4.175 -8.681 4.175 449 2HB HIS 58 2HB HIS 58 3.934 -8.886 5.901 450 HD1 HIS 58 HD1 HIS 58 5.808 -10.399 6.878 451 HD2 HIS 58 HD2 HIS 58 4.707 -11.322 2.911 452 HE1 HIS 58 HE1 HIS 58 7.347 -12.268 6.097 453 HE2 HIS 58 HE2 HIS 58 6.636 -12.946 3.759 454 H LEU 59 H LEU 59 0.136 -9.977 5.728 455 HA LEU 59 HA LEU 59 -0.855 -7.258 5.225 456 1HB LEU 59 1HB LEU 59 -2.160 -9.407 4.721 457 2HB LEU 59 2HB LEU 59 -2.140 -9.751 6.446 458 HG LEU 59 HG LEU 59 -3.274 -7.170 6.352 459 1HD1 LEU 59 1HD1 LEU 59 -3.609 -7.311 3.935 460 2HD1 LEU 59 2HD1 LEU 59 -4.408 -8.891 4.109 461 3HD1 LEU 59 3HD1 LEU 59 -5.158 -7.420 4.767 462 1HD2 LEU 59 1HD2 LEU 59 -4.085 -8.798 7.866 463 2HD2 LEU 59 2HD2 LEU 59 -5.426 -8.583 6.718 464 3HD2 LEU 59 3HD2 LEU 59 -4.350 -9.991 6.597 465 H ARG 60 H ARG 60 -1.127 -5.764 6.759 466 HA ARG 60 HA ARG 60 -0.045 -5.943 9.389 467 1HB ARG 60 1HB ARG 60 -2.244 -4.159 8.227 468 2HB ARG 60 2HB ARG 60 -1.520 -3.890 9.802 469 1HG ARG 60 1HG ARG 60 0.382 -4.068 7.475 470 2HG ARG 60 2HG ARG 60 -0.682 -2.658 7.529 471 1HD ARG 60 1HD ARG 60 0.149 -1.939 9.624 472 2HD ARG 60 2HD ARG 60 0.926 -3.480 9.951 473 HE ARG 60 HE ARG 60 2.380 -2.939 7.898 474 1HH1 ARG 60 2HH2 ARG 60 1.484 -0.607 10.412 475 2HH1 ARG 60 1HH2 ARG 60 2.783 0.484 10.020 476 1HH2 ARG 60 2HH1 ARG 60 4.223 -1.778 7.681 477 2HH2 ARG 60 1HH1 ARG 60 4.527 -0.328 8.626 478 H SER 61 H SER 61 -0.935 -6.952 11.279 479 HA SER 61 HA SER 61 -3.254 -8.556 10.887 480 1HB SER 61 1HB SER 61 -1.183 -8.859 12.458 481 2HB SER 61 2HB SER 61 -2.153 -7.938 13.622 482 HG SER 61 HG SER 61 -2.316 -10.386 13.440 483 H SER 62 H SER 62 -2.888 -5.177 11.754 484 HA SER 62 HA SER 62 -5.210 -4.638 13.209 485 1HB SER 62 1HB SER 62 -4.310 -2.832 10.974 486 2HB SER 62 2HB SER 62 -4.750 -2.431 12.636 487 HG SER 62 HG SER 62 -2.592 -2.165 12.391 488 H GLN 63 H GLN 63 -4.816 -5.779 10.013 489 HA GLN 63 HA GLN 63 -7.618 -5.140 9.206 490 1HB GLN 63 1HB GLN 63 -5.033 -5.144 7.595 491 2HB GLN 63 2HB GLN 63 -6.626 -5.049 6.861 492 1HG GLN 63 1HG GLN 63 -5.562 -3.021 8.893 493 2HG GLN 63 2HG GLN 63 -5.502 -2.838 7.165 494 1HE2 GLN 63 1HE2 GLN 63 -7.728 -2.882 9.970 495 2HE2 GLN 63 2HE2 GLN 63 -9.011 -2.064 9.095 496 H ARG 64 H ARG 64 -6.067 -7.648 10.489 497 HA ARG 64 HA ARG 64 -6.178 -9.683 8.565 498 1HB ARG 64 1HB ARG 64 -5.345 -9.583 11.105 499 2HB ARG 64 2HB ARG 64 -6.884 -10.368 11.407 500 1HG ARG 64 1HG ARG 64 -4.796 -11.326 9.384 501 2HG ARG 64 2HG ARG 64 -4.815 -11.813 11.076 502 1HD ARG 64 1HD ARG 64 -7.089 -12.794 10.764 503 2HD ARG 64 2HD ARG 64 -7.022 -12.364 9.054 504 HE ARG 64 HE ARG 64 -5.782 -14.135 8.584 505 1HH1 ARG 64 2HH2 ARG 64 -5.597 -13.827 12.140 506 2HH1 ARG 64 1HH2 ARG 64 -4.363 -15.039 12.301 507 1HH2 ARG 64 2HH1 ARG 64 -4.352 -15.889 8.869 508 2HH2 ARG 64 1HH1 ARG 64 -3.934 -16.440 10.459 509 H HIS 65 H HIS 65 -8.808 -8.147 10.407 510 HA HIS 65 HA HIS 65 -10.959 -9.849 10.036 511 1HB HIS 65 1HB HIS 65 -10.965 -6.840 9.466 512 2HB HIS 65 2HB HIS 65 -12.366 -7.835 9.812 513 HD1 HIS 65 HD1 HIS 65 -12.368 -8.965 12.377 514 HD2 HIS 65 HD2 HIS 65 -10.083 -5.499 11.527 515 HE1 HIS 65 HE1 HIS 65 -11.981 -7.716 14.629 516 HE2 HIS 65 HE2 HIS 65 -10.659 -5.630 14.092 517 H LEU 66 H LEU 66 -9.413 -7.787 7.514 518 HA LEU 66 HA LEU 66 -11.545 -8.430 5.597 519 1HB LEU 66 1HB LEU 66 -8.953 -6.907 5.126 520 2HB LEU 66 2HB LEU 66 -10.323 -7.044 4.051 521 HG LEU 66 HG LEU 66 -10.659 -4.950 4.808 522 1HD1 LEU 66 1HD1 LEU 66 -12.735 -6.206 5.442 523 2HD1 LEU 66 2HD1 LEU 66 -12.113 -6.364 7.093 524 3HD1 LEU 66 3HD1 LEU 66 -12.455 -4.768 6.413 525 1HD2 LEU 66 1HD2 LEU 66 -10.190 -4.095 7.062 526 2HD2 LEU 66 2HD2 LEU 66 -9.694 -5.703 7.592 527 3HD2 LEU 66 3HD2 LEU 66 -8.777 -4.857 6.325 528 H ASN 67 H ASN 67 -8.370 -9.581 6.496 529 HA ASN 67 HA ASN 67 -7.787 -11.066 4.060 530 1HB ASN 67 1HB ASN 67 -5.867 -10.587 5.156 531 2HB ASN 67 2HB ASN 67 -6.574 -10.822 6.762 532 1HD2 ASN 67 1HD2 ASN 67 -6.682 -13.450 4.179 533 2HD2 ASN 67 2HD2 ASN 67 -5.664 -14.443 5.185 534 H ASN 68 H ASN 68 -9.330 -12.201 3.581 535 HA ASN 68 HA ASN 68 -10.013 -14.629 5.141 536 1HB ASN 68 1HB ASN 68 -12.312 -14.560 4.749 537 2HB ASN 68 2HB ASN 68 -11.930 -12.940 5.321 538 1HD2 ASN 68 1HD2 ASN 68 -11.599 -11.220 3.476 539 2HD2 ASN 68 2HD2 ASN 68 -12.663 -11.430 2.104 540 H ARG 69 H ARG 69 -10.694 -16.449 3.666 541 HA ARG 69 HA ARG 69 -8.983 -16.555 1.418 542 1HB ARG 69 1HB ARG 69 -11.339 -18.343 2.075 543 2HB ARG 69 2HB ARG 69 -10.287 -18.548 0.693 544 1HG ARG 69 1HG ARG 69 -8.311 -18.643 2.341 545 2HG ARG 69 2HG ARG 69 -9.530 -18.880 3.595 546 1HD ARG 69 1HD ARG 69 -8.907 -20.668 1.212 547 2HD ARG 69 2HD ARG 69 -8.754 -21.034 2.924 548 HE ARG 69 HE ARG 69 -11.038 -21.323 3.155 549 1HH1 ARG 69 2HH2 ARG 69 -10.275 -20.537 -0.235 550 2HH1 ARG 69 1HH2 ARG 69 -11.855 -20.883 -0.822 551 1HH2 ARG 69 2HH1 ARG 69 -13.018 -22.101 2.321 552 2HH2 ARG 69 1HH1 ARG 69 -13.525 -21.655 0.722 553 H GLY 70 H GLY 70 -12.418 -15.530 1.542 554 1HA GLY 70 1HA GLY 70 -12.975 -15.745 -1.232 555 2HA GLY 70 2HA GLY 70 -13.729 -14.609 -0.098 556 H ALA 71 H ALA 71 -11.409 -13.166 0.706 557 HA ALA 71 HA ALA 71 -11.046 -11.408 -1.549 558 1HB ALA 71 1HB ALA 71 -10.929 -10.489 0.727 559 2HB ALA 71 2HB ALA 71 -9.539 -11.533 1.111 560 3HB ALA 71 3HB ALA 71 -9.381 -10.244 -0.095 561 H GLN 72 H GLN 72 -8.906 -13.790 0.085 562 HA GLN 72 HA GLN 72 -6.658 -13.492 -1.556 563 1HB GLN 72 1HB GLN 72 -6.709 -14.735 0.531 564 2HB GLN 72 2HB GLN 72 -7.727 -15.972 -0.164 565 1HG GLN 72 1HG GLN 72 -4.995 -15.388 -1.350 566 2HG GLN 72 2HG GLN 72 -5.170 -16.396 0.087 567 1HE2 GLN 72 1HE2 GLN 72 -3.975 -17.599 -2.054 568 2HE2 GLN 72 2HE2 GLN 72 -5.080 -18.792 -2.710 569 H GLN 73 H GLN 73 -9.645 -15.306 -2.199 570 HA GLN 73 HA GLN 73 -8.748 -16.839 -4.374 571 1HB GLN 73 1HB GLN 73 -11.170 -16.500 -2.958 572 2HB GLN 73 2HB GLN 73 -11.568 -15.836 -4.516 573 1HG GLN 73 1HG GLN 73 -12.217 -18.030 -4.694 574 2HG GLN 73 2HG GLN 73 -10.662 -18.039 -5.516 575 1HE2 GLN 73 1HE2 GLN 73 -9.536 -19.870 -4.994 576 2HE2 GLN 73 2HE2 GLN 73 -9.625 -20.768 -3.475 577 H LYS 74 H LYS 74 -10.405 -13.675 -4.328 578 HA LYS 74 HA LYS 74 -10.178 -13.388 -7.209 579 1HB LYS 74 1HB LYS 74 -11.914 -12.267 -5.559 580 2HB LYS 74 2HB LYS 74 -10.641 -11.071 -5.307 581 1HG LYS 74 1HG LYS 74 -12.073 -10.180 -6.997 582 2HG LYS 74 2HG LYS 74 -10.622 -10.734 -7.838 583 1HD LYS 74 1HD LYS 74 -11.871 -12.900 -8.334 584 2HD LYS 74 2HD LYS 74 -13.336 -12.095 -7.752 585 1HE LYS 74 1HE LYS 74 -13.198 -10.435 -9.487 586 2HE LYS 74 2HE LYS 74 -11.531 -10.904 -9.888 587 1HZ LYS 74 1HZ LYS 74 -13.878 -12.657 -10.309 588 2HZ LYS 74 2HZ LYS 74 -13.163 -11.795 -11.478 589 3HZ LYS 74 3HZ LYS 74 -12.320 -12.988 -10.728 590 H LEU 75 H LEU 75 -8.195 -12.409 -4.451 591 HA LEU 75 HA LEU 75 -6.412 -10.723 -5.935 592 1HB LEU 75 1HB LEU 75 -6.642 -11.533 -3.234 593 2HB LEU 75 2HB LEU 75 -5.224 -12.293 -3.717 594 HG LEU 75 HG LEU 75 -5.880 -9.337 -3.913 595 1HD1 LEU 75 1HD1 LEU 75 -4.056 -10.865 -2.038 596 2HD1 LEU 75 2HD1 LEU 75 -4.219 -9.094 -2.081 597 3HD1 LEU 75 3HD1 LEU 75 -5.600 -10.104 -1.641 598 1HD2 LEU 75 1HD2 LEU 75 -4.286 -9.856 -5.727 599 2HD2 LEU 75 2HD2 LEU 75 -3.608 -8.797 -4.492 600 3HD2 LEU 75 3HD2 LEU 75 -3.144 -10.497 -4.537 601 H ALA 76 H ALA 76 -6.514 -14.283 -5.302 602 HA ALA 76 HA ALA 76 -3.960 -14.850 -6.404 603 1HB ALA 76 1HB ALA 76 -4.740 -17.199 -6.354 604 2HB ALA 76 2HB ALA 76 -5.090 -16.370 -4.829 605 3HB ALA 76 3HB ALA 76 -6.392 -16.656 -6.007 606 H GLU 77 H GLU 77 -7.248 -14.931 -7.779 607 HA GLU 77 HA GLU 77 -6.623 -15.834 -10.384 608 1HB GLU 77 1HB GLU 77 -8.910 -15.494 -9.416 609 2HB GLU 77 2HB GLU 77 -8.649 -13.754 -9.388 610 1HG GLU 77 1HG GLU 77 -8.445 -13.812 -11.915 611 2HG GLU 77 2HG GLU 77 -8.938 -15.510 -11.852 612 H ALA 78 H ALA 78 -6.446 -12.573 -8.943 613 HA ALA 78 HA ALA 78 -5.733 -11.239 -11.391 614 1HB ALA 78 1HB ALA 78 -5.286 -10.280 -8.534 615 2HB ALA 78 2HB ALA 78 -5.419 -9.316 -10.026 616 3HB ALA 78 3HB ALA 78 -6.831 -10.164 -9.396 617 H LEU 79 H LEU 79 -3.690 -12.183 -8.496 618 HA LEU 79 HA LEU 79 -1.278 -11.418 -9.768 619 1HB LEU 79 1HB LEU 79 -2.061 -12.669 -7.315 620 2HB LEU 79 2HB LEU 79 -0.794 -13.669 -8.009 621 HG LEU 79 HG LEU 79 -0.536 -10.637 -7.680 622 1HD1 LEU 79 1HD1 LEU 79 0.786 -11.130 -5.675 623 2HD1 LEU 79 2HD1 LEU 79 -0.913 -11.571 -5.520 624 3HD1 LEU 79 3HD1 LEU 79 0.308 -12.847 -5.793 625 1HD2 LEU 79 1HD2 LEU 79 1.615 -12.785 -8.025 626 2HD2 LEU 79 2HD2 LEU 79 1.049 -11.720 -9.321 627 3HD2 LEU 79 3HD2 LEU 79 1.866 -11.030 -7.914 628 H SER 80 H SER 80 -3.145 -14.434 -10.025 629 HA SER 80 HA SER 80 -1.209 -15.928 -11.535 630 1HB SER 80 1HB SER 80 -4.238 -16.023 -11.315 631 2HB SER 80 2HB SER 80 -3.313 -17.196 -12.231 632 HG SER 80 HG SER 80 -3.363 -16.661 -9.479 633 H MET 81 H MET 81 -3.688 -13.490 -12.464 634 HA MET 81 HA MET 81 -3.374 -13.903 -15.324 635 1HB MET 81 1HB MET 81 -5.437 -13.006 -14.622 636 2HB MET 81 2HB MET 81 -4.684 -11.792 -13.590 637 1HG MET 81 1HG MET 81 -5.610 -10.837 -15.660 638 2HG MET 81 2HG MET 81 -3.899 -10.534 -15.435 639 1HE MET 81 1HE MET 81 -2.416 -10.439 -17.278 640 2HE MET 81 2HE MET 81 -2.997 -10.698 -18.937 641 3HE MET 81 3HE MET 81 -3.886 -9.621 -17.829 642 H LEU 82 H LEU 82 -2.084 -11.573 -12.918 643 HA LEU 82 HA LEU 82 -0.468 -10.064 -14.662 644 1HB LEU 82 1HB LEU 82 -0.921 -9.287 -12.486 645 2HB LEU 82 2HB LEU 82 -0.326 -10.762 -11.720 646 HG LEU 82 HG LEU 82 1.994 -10.180 -12.379 647 1HD1 LEU 82 1HD1 LEU 82 0.713 -7.601 -13.363 648 2HD1 LEU 82 2HD1 LEU 82 2.463 -7.835 -13.114 649 3HD1 LEU 82 3HD1 LEU 82 1.612 -8.764 -14.352 650 1HD2 LEU 82 1HD2 LEU 82 0.614 -7.945 -10.844 651 2HD2 LEU 82 2HD2 LEU 82 1.030 -9.531 -10.169 652 3HD2 LEU 82 3HD2 LEU 82 2.314 -8.467 -10.731 653 H LYS 83 H LYS 83 0.342 -12.989 -12.753 654 HA LYS 83 HA LYS 83 3.035 -13.157 -13.799 655 1HB LYS 83 1HB LYS 83 2.078 -14.265 -11.672 656 2HB LYS 83 2HB LYS 83 1.397 -15.490 -12.735 657 1HG LYS 83 1HG LYS 83 3.446 -16.383 -11.929 658 2HG LYS 83 2HG LYS 83 3.807 -15.897 -13.587 659 1HD LYS 83 1HD LYS 83 4.868 -13.831 -12.784 660 2HD LYS 83 2HD LYS 83 4.348 -14.182 -11.121 661 1HE LYS 83 1HE LYS 83 5.811 -16.189 -11.104 662 2HE LYS 83 2HE LYS 83 6.347 -15.795 -12.746 663 1HZ LYS 83 1HZ LYS 83 7.114 -13.638 -11.857 664 2HZ LYS 83 2HZ LYS 83 6.706 -14.119 -10.345 665 3HZ LYS 83 3HZ LYS 83 7.912 -14.889 -11.165 666 H GLY 84 H GLY 84 -0.074 -14.637 -14.744 667 1HA GLY 84 1HA GLY 84 -0.729 -15.369 -16.842 668 2HA GLY 84 2HA GLY 84 0.946 -15.315 -17.411 669 H SER 85 H SER 85 0.765 -16.752 -14.320 670 HA SER 85 HA SER 85 0.478 -19.519 -15.175 671 1HB SER 85 1HB SER 85 3.039 -18.337 -14.028 672 2HB SER 85 2HB SER 85 2.702 -20.070 -14.119 673 HG SER 85 HG SER 85 2.511 -19.872 -16.375 674 H THR 86 H THR 86 0.673 -20.933 -13.114 675 HA THR 86 HA THR 86 -1.183 -19.866 -11.167 676 HB THR 86 HB THR 86 0.416 -22.446 -11.385 677 HG1 THR 86 1HG THR 86 -1.472 -21.795 -12.843 678 1HG2 THR 86 1HG2 THR 86 -1.189 -23.375 -9.720 679 2HG2 THR 86 2HG2 THR 86 -0.125 -22.151 -9.014 680 3HG2 THR 86 3HG2 THR 86 -1.804 -21.738 -9.428 681 H VAL 87 H VAL 87 -0.685 -18.705 -9.432 682 HA VAL 87 HA VAL 87 2.075 -18.714 -8.277 683 HB VAL 87 HB VAL 87 -0.108 -16.564 -8.230 684 1HG1 VAL 87 1HG1 VAL 87 2.741 -16.541 -7.160 685 2HG1 VAL 87 2HG1 VAL 87 1.670 -15.126 -7.240 686 3HG1 VAL 87 3HG1 VAL 87 1.252 -16.474 -6.187 687 1HG2 VAL 87 1HG2 VAL 87 0.929 -16.649 -10.460 688 2HG2 VAL 87 2HG2 VAL 87 1.435 -15.201 -9.593 689 3HG2 VAL 87 3HG2 VAL 87 2.544 -16.583 -9.725 690 H GLU 88 H GLU 88 2.141 -19.046 -5.947 691 HA GLU 88 HA GLU 88 -0.458 -19.940 -4.764 692 1HB GLU 88 1HB GLU 88 2.413 -20.757 -4.274 693 2HB GLU 88 2HB GLU 88 1.240 -20.753 -2.944 694 1HG GLU 88 1HG GLU 88 -0.337 -22.085 -4.365 695 2HG GLU 88 2HG GLU 88 0.920 -22.219 -5.598 696 H LEU 89 H LEU 89 -1.181 -17.892 -4.616 697 HA LEU 89 HA LEU 89 0.352 -15.800 -3.252 698 1HB LEU 89 1HB LEU 89 -1.025 -15.025 -5.000 699 2HB LEU 89 2HB LEU 89 -2.411 -15.988 -4.461 700 HG LEU 89 HG LEU 89 -2.721 -14.599 -2.480 701 1HD1 LEU 89 1HD1 LEU 89 -0.569 -12.692 -3.438 702 2HD1 LEU 89 2HD1 LEU 89 -1.606 -12.606 -2.006 703 3HD1 LEU 89 3HD1 LEU 89 -0.342 -13.816 -2.068 704 1HD2 LEU 89 1HD2 LEU 89 -2.473 -13.198 -5.148 705 2HD2 LEU 89 2HD2 LEU 89 -3.880 -13.925 -4.338 706 3HD2 LEU 89 3HD2 LEU 89 -3.151 -12.439 -3.701 707 H THR 90 H THR 90 0.533 -15.834 -1.151 708 HA THR 90 HA THR 90 -1.437 -17.240 0.551 709 HB THR 90 HB THR 90 1.399 -16.593 1.350 710 HG1 THR 90 1HG THR 90 1.727 -17.477 -0.674 711 1HG2 THR 90 1HG2 THR 90 1.233 -18.786 2.485 712 2HG2 THR 90 2HG2 THR 90 -0.071 -17.698 2.960 713 3HG2 THR 90 3HG2 THR 90 -0.384 -19.020 1.805 714 H ILE 91 H ILE 91 -1.862 -16.092 2.657 715 HA ILE 91 HA ILE 91 -1.069 -13.226 2.646 716 HB ILE 91 HB ILE 91 -3.626 -14.180 3.914 717 1HG1 ILE 91 1HG1 ILE 91 -3.959 -14.809 1.549 718 2HG1 ILE 91 2HG1 ILE 91 -5.046 -13.572 2.130 719 1HG2 ILE 91 1HG2 ILE 91 -4.220 -11.744 3.583 720 2HG2 ILE 91 2HG2 ILE 91 -2.787 -12.011 4.597 721 3HG2 ILE 91 3HG2 ILE 91 -2.602 -11.485 2.913 722 1HD1 ILE 91 1HD1 ILE 91 -3.841 -11.826 0.913 723 2HD1 ILE 91 2HD1 ILE 91 -2.619 -13.008 0.385 724 3HD1 ILE 91 3HD1 ILE 91 -4.297 -13.142 -0.174 725 H VAL 92 H VAL 92 0.046 -12.788 4.502 726 HA VAL 92 HA VAL 92 -0.206 -14.649 6.794 727 HB VAL 92 HB VAL 92 2.115 -14.530 7.276 728 1HG1 VAL 92 1HG1 VAL 92 1.706 -15.545 4.421 729 2HG1 VAL 92 2HG1 VAL 92 2.967 -16.057 5.553 730 3HG1 VAL 92 3HG1 VAL 92 1.275 -16.425 5.906 731 1HG2 VAL 92 1HG2 VAL 92 2.506 -13.069 4.628 732 2HG2 VAL 92 2HG2 VAL 92 2.867 -12.470 6.270 733 3HG2 VAL 92 3HG2 VAL 92 3.811 -13.792 5.598 734 H GLU 93 H GLU 93 -0.204 -13.735 8.723 735 HA GLU 93 HA GLU 93 -0.829 -10.876 8.753 736 1HB GLU 93 1HB GLU 93 -1.785 -11.305 10.935 737 2HB GLU 93 2HB GLU 93 -2.495 -12.280 9.667 738 1HG GLU 93 1HG GLU 93 -0.460 -13.349 11.667 739 2HG GLU 93 2HG GLU 93 -2.189 -13.370 11.903 740 H ASP 94 H ASP 94 0.836 -9.567 8.934 741 HA ASP 94 HA ASP 94 3.012 -9.905 10.934 742 1HB ASP 94 1HB ASP 94 3.704 -11.003 8.762 743 2HB ASP 94 2HB ASP 94 3.408 -9.472 7.949 744 H ASP 95 H ASP 95 2.924 -8.091 12.021 745 HA ASP 95 HA ASP 95 1.289 -5.862 11.057 746 1HB ASP 95 1HB ASP 95 2.945 -6.291 13.564 747 2HB ASP 95 2HB ASP 95 2.057 -4.801 13.215 748 H ASN 96 H ASN 96 4.708 -6.052 12.136 749 HA ASN 96 HA ASN 96 5.570 -4.377 9.914 750 1HB ASN 96 1HB ASN 96 4.433 -2.664 11.186 751 2HB ASN 96 2HB ASN 96 5.306 -3.097 12.647 752 1HD2 ASN 96 1HD2 ASN 96 6.358 -2.310 9.143 753 2HD2 ASN 96 2HD2 ASN 96 7.592 -1.248 9.741 754 HA PRO 97 HA PRO 97 9.061 -6.528 11.947 755 1HB PRO 97 1HB PRO 97 10.223 -7.660 9.769 756 2HB PRO 97 2HB PRO 97 8.786 -8.366 10.573 757 1HG PRO 97 1HG PRO 97 8.871 -6.761 8.030 758 2HG PRO 97 2HG PRO 97 7.927 -8.213 8.446 759 1HD PRO 97 1HD PRO 97 6.980 -5.565 8.591 760 2HD PRO 97 2HD PRO 97 6.269 -6.931 9.477 761 H ALA 98 H ALA 98 9.277 -5.013 8.702 762 HA ALA 98 HA ALA 98 10.866 -2.778 9.560 763 1HB ALA 98 1HB ALA 98 12.650 -4.496 9.568 764 2HB ALA 98 2HB ALA 98 12.213 -4.973 7.911 765 3HB ALA 98 3HB ALA 98 12.899 -3.369 8.239 766 H VAL 99 H VAL 99 8.395 -3.737 7.738 767 HA VAL 99 HA VAL 99 9.242 -2.328 5.269 768 HB VAL 99 HB VAL 99 7.398 -4.717 5.300 769 1HG1 VAL 99 1HG1 VAL 99 8.889 -3.263 3.061 770 2HG1 VAL 99 2HG1 VAL 99 8.032 -4.793 2.846 771 3HG1 VAL 99 3HG1 VAL 99 7.121 -3.365 3.283 772 1HG2 VAL 99 1HG2 VAL 99 10.370 -4.720 4.652 773 2HG2 VAL 99 2HG2 VAL 99 9.571 -5.607 5.980 774 3HG2 VAL 99 3HG2 VAL 99 9.241 -6.047 4.315 775 H ARG 100 H ARG 100 7.564 -1.395 4.130 776 HA ARG 100 HA ARG 100 5.346 -0.123 5.633 777 1HB ARG 100 1HB ARG 100 6.282 0.016 2.713 778 2HB ARG 100 2HB ARG 100 5.098 1.090 3.433 779 1HG ARG 100 1HG ARG 100 8.068 1.054 3.974 780 2HG ARG 100 2HG ARG 100 7.127 2.255 3.111 781 1HD ARG 100 1HD ARG 100 6.954 3.402 4.996 782 2HD ARG 100 2HD ARG 100 5.838 2.173 5.602 783 HE ARG 100 HE ARG 100 8.322 1.099 6.113 784 1HH1 ARG 100 2HH2 ARG 100 6.867 4.204 7.060 785 2HH1 ARG 100 1HH2 ARG 100 8.274 4.701 7.961 786 1HH2 ARG 100 2HH1 ARG 100 9.905 1.542 7.519 787 2HH2 ARG 100 1HH1 ARG 100 9.901 2.961 8.525 788 H THR 101 H THR 101 3.630 -0.001 3.514 789 HA THR 101 HA THR 101 2.827 -2.555 2.398 790 HB THR 101 HB THR 101 0.464 -2.144 3.074 791 HG1 THR 101 1HG THR 101 0.039 -0.547 4.684 792 1HG2 THR 101 1HG2 THR 101 1.912 -3.528 4.590 793 2HG2 THR 101 2HG2 THR 101 2.140 -2.071 5.592 794 3HG2 THR 101 3HG2 THR 101 0.520 -2.753 5.376 795 HA PRO 102 HA PRO 102 2.471 0.550 -0.837 796 1HB PRO 102 1HB PRO 102 0.097 0.240 -2.173 797 2HB PRO 102 2HB PRO 102 1.442 -0.953 -2.277 798 1HG PRO 102 1HG PRO 102 -0.889 -0.990 -0.429 799 2HG PRO 102 2HG PRO 102 -0.372 -2.312 -1.546 800 1HD PRO 102 1HD PRO 102 0.341 -2.364 1.043 801 2HD PRO 102 2HD PRO 102 1.598 -2.708 -0.172 802 H LEU 103 H LEU 103 -0.264 0.346 1.405 803 HA LEU 103 HA LEU 103 -1.209 3.053 1.079 804 1HB LEU 103 1HB LEU 103 -2.464 1.063 1.971 805 2HB LEU 103 2HB LEU 103 -1.507 1.145 3.447 806 HG LEU 103 HG LEU 103 -3.299 3.372 2.375 807 1HD1 LEU 103 1HD1 LEU 103 -3.838 1.340 4.575 808 2HD1 LEU 103 2HD1 LEU 103 -4.909 2.670 4.092 809 3HD1 LEU 103 3HD1 LEU 103 -4.587 1.349 2.962 810 1HD2 LEU 103 1HD2 LEU 103 -1.766 4.423 3.889 811 2HD2 LEU 103 2HD2 LEU 103 -3.209 4.118 4.837 812 3HD2 LEU 103 3HD2 LEU 103 -1.811 3.048 5.011 813 H GLU 104 H GLU 104 0.906 1.405 3.565 814 HA GLU 104 HA GLU 104 1.523 3.923 4.820 815 1HB GLU 104 1HB GLU 104 2.805 1.169 5.022 816 2HB GLU 104 2HB GLU 104 3.420 2.561 5.899 817 1HG GLU 104 1HG GLU 104 0.608 1.447 6.143 818 2HG GLU 104 2HG GLU 104 1.909 1.253 7.314 819 H TRP 105 H TRP 105 2.831 2.376 1.974 820 HA TRP 105 HA TRP 105 5.286 3.880 1.914 821 1HB TRP 105 1HB TRP 105 3.697 2.200 -0.026 822 2HB TRP 105 2HB TRP 105 4.627 3.484 -0.745 823 HD1 TRP 105 HD TRP 105 5.116 0.007 -0.075 824 HE1 TRP 105 1HE TRP 105 7.636 -0.578 0.018 825 HE3 TRP 105 3HE TRP 105 7.018 4.707 0.319 826 HZ2 TRP 105 2HZ TRP 105 10.130 0.861 0.082 827 HZ3 TRP 105 3HZ TRP 105 9.462 5.116 0.168 828 HH2 TRP 105 HH TRP 105 11.035 3.175 0.068 829 H ARG 106 H ARG 106 2.009 4.395 0.544 830 HA ARG 106 HA ARG 106 2.553 6.992 -0.542 831 1HB ARG 106 1HB ARG 106 0.507 5.932 -1.108 832 2HB ARG 106 2HB ARG 106 0.073 5.572 0.518 833 1HG ARG 106 1HG ARG 106 0.315 8.499 0.019 834 2HG ARG 106 2HG ARG 106 -0.910 7.694 -0.917 835 1HD ARG 106 1HD ARG 106 -0.722 7.299 2.073 836 2HD ARG 106 2HD ARG 106 -1.605 8.637 1.328 837 HE ARG 106 HE ARG 106 -2.511 6.390 0.006 838 1HH1 ARG 106 2HH2 ARG 106 -2.483 7.547 3.400 839 2HH1 ARG 106 1HH2 ARG 106 -3.855 6.662 3.888 840 1HH2 ARG 106 2HH1 ARG 106 -4.435 5.388 0.560 841 2HH2 ARG 106 1HH1 ARG 106 -5.170 5.549 2.132 842 H GLN 107 H GLN 107 1.445 5.975 2.619 843 HA GLN 107 HA GLN 107 1.299 8.664 3.572 844 1HB GLN 107 1HB GLN 107 0.220 6.416 4.493 845 2HB GLN 107 2HB GLN 107 1.655 6.375 5.516 846 1HG GLN 107 1HG GLN 107 -0.274 7.458 6.599 847 2HG GLN 107 2HG GLN 107 1.078 8.586 6.432 848 1HE2 GLN 107 1HE2 GLN 107 0.100 10.636 6.122 849 2HE2 GLN 107 2HE2 GLN 107 -1.250 10.920 5.034 850 H ALA 108 H ALA 108 4.005 6.351 3.532 851 HA ALA 108 HA ALA 108 5.772 7.929 5.157 852 1HB ALA 108 1HB ALA 108 7.536 6.558 4.035 853 2HB ALA 108 2HB ALA 108 6.265 5.572 4.762 854 3HB ALA 108 3HB ALA 108 6.305 5.822 3.003 855 H ILE 109 H ILE 109 5.338 7.586 1.609 856 HA ILE 109 HA ILE 109 7.404 9.418 0.877 857 HB ILE 109 HB ILE 109 4.944 8.298 -0.496 858 1HG1 ILE 109 1HG1 ILE 109 7.904 7.786 -1.064 859 2HG1 ILE 109 2HG1 ILE 109 6.995 6.871 0.125 860 1HG2 ILE 109 1HG2 ILE 109 7.092 9.878 -1.947 861 2HG2 ILE 109 2HG2 ILE 109 5.655 9.108 -2.657 862 3HG2 ILE 109 3HG2 ILE 109 5.478 10.496 -1.595 863 1HD1 ILE 109 1HD1 ILE 109 6.888 5.570 -1.864 864 2HD1 ILE 109 2HD1 ILE 109 5.308 6.324 -1.708 865 3HD1 ILE 109 3HD1 ILE 109 6.504 6.980 -2.860 866 H TYR 110 H TYR 110 3.940 9.870 1.605 867 HA TYR 110 HA TYR 110 3.809 12.640 0.990 868 1HB TYR 110 1HB TYR 110 1.803 11.213 1.472 869 2HB TYR 110 2HB TYR 110 2.318 11.044 3.148 870 HD1 TYR 110 HD1 TYR 110 2.258 13.012 4.715 871 HD2 TYR 110 HD2 TYR 110 0.882 13.322 0.621 872 HE1 TYR 110 HE1 TYR 110 1.511 15.308 5.148 873 HE2 TYR 110 HE2 TYR 110 0.151 15.650 1.090 874 HH TYR 110 HH TYR 110 0.309 17.229 4.189 875 H GLU 111 H GLU 111 4.640 10.896 4.021 876 HA GLU 111 HA GLU 111 4.995 13.363 5.442 877 1HB GLU 111 1HB GLU 111 4.281 11.017 6.344 878 2HB GLU 111 2HB GLU 111 5.995 10.661 6.382 879 1HG GLU 111 1HG GLU 111 5.146 11.471 8.535 880 2HG GLU 111 2HG GLU 111 6.364 12.569 7.912 881 H GLU 112 H GLU 112 7.162 11.406 3.441 882 HA GLU 112 HA GLU 112 9.599 12.363 4.504 883 1HB GLU 112 1HB GLU 112 8.609 11.205 1.886 884 2HB GLU 112 2HB GLU 112 10.208 11.872 1.968 885 1HG GLU 112 1HG GLU 112 9.257 9.699 3.869 886 2HG GLU 112 2HG GLU 112 10.006 9.368 2.310 887 H LYS 113 H LYS 113 7.352 13.648 2.001 888 HA LYS 113 HA LYS 113 9.045 15.902 1.348 889 1HB LYS 113 1HB LYS 113 7.100 15.078 -0.034 890 2HB LYS 113 2HB LYS 113 6.008 15.785 1.165 891 1HG LYS 113 1HG LYS 113 6.878 18.033 0.708 892 2HG LYS 113 2HG LYS 113 8.128 17.357 -0.351 893 1HD LYS 113 1HD LYS 113 6.340 16.502 -1.859 894 2HD LYS 113 2HD LYS 113 5.133 17.298 -0.821 895 1HE LYS 113 1HE LYS 113 6.176 19.489 -1.303 896 2HE LYS 113 2HE LYS 113 7.393 18.696 -2.321 897 1HZ LYS 113 1HZ LYS 113 5.640 18.013 -3.825 898 2HZ LYS 113 2HZ LYS 113 4.476 18.639 -2.825 899 3HZ LYS 113 3HZ LYS 113 5.499 19.616 -3.605 900 H LEU 114 H LEU 114 6.842 15.266 3.950 901 HA LEU 114 HA LEU 114 6.757 18.077 4.870 902 1HB LEU 114 1HB LEU 114 5.338 15.531 5.678 903 2HB LEU 114 2HB LEU 114 5.559 16.778 6.878 904 HG LEU 114 HG LEU 114 3.374 16.932 5.841 905 1HD1 LEU 114 1HD1 LEU 114 5.019 19.355 5.009 906 2HD1 LEU 114 2HD1 LEU 114 3.303 19.296 5.433 907 3HD1 LEU 114 3HD1 LEU 114 4.527 18.991 6.675 908 1HD2 LEU 114 1HD2 LEU 114 3.051 17.652 3.530 909 2HD2 LEU 114 2HD2 LEU 114 4.794 17.603 3.229 910 3HD2 LEU 114 3HD2 LEU 114 3.912 16.103 3.602 911 H ALA 115 H ALA 115 8.416 15.015 5.575 912 HA ALA 115 HA ALA 115 9.642 15.863 7.994 913 1HB ALA 115 1HB ALA 115 10.631 13.863 5.906 914 2HB ALA 115 2HB ALA 115 11.277 14.066 7.539 915 3HB ALA 115 3HB ALA 115 9.619 13.488 7.326 916 H GLN 116 H GLN 116 10.386 16.353 4.527 917 HA GLN 116 HA GLN 116 12.941 17.599 5.023 918 1HB GLN 116 1HB GLN 116 10.969 18.020 2.758 919 2HB GLN 116 2HB GLN 116 12.591 18.703 2.792 920 1HG GLN 116 1HG GLN 116 12.576 15.779 3.331 921 2HG GLN 116 2HG GLN 116 11.861 16.203 1.786 922 1HE2 GLN 116 1HE2 GLN 116 14.914 16.331 3.698 923 2HE2 GLN 116 2HE2 GLN 116 15.915 16.500 2.254 924 H ALA 117 H ALA 117 9.666 18.818 5.128 925 HA ALA 117 HA ALA 117 10.472 21.560 5.708 926 1HB ALA 117 1HB ALA 117 7.780 20.193 6.141 927 2HB ALA 117 2HB ALA 117 8.097 21.932 6.231 928 3HB ALA 117 3HB ALA 117 8.283 21.064 4.695 929 H ARG 118 H ARG 118 9.696 18.689 7.675 930 HA ARG 118 HA ARG 118 9.908 20.091 10.180 931 1HB ARG 118 1HB ARG 118 8.851 17.686 9.614 932 2HB ARG 118 2HB ARG 118 10.494 17.134 9.920 933 1HG ARG 118 1HG ARG 118 9.609 16.925 12.032 934 2HG ARG 118 2HG ARG 118 10.239 18.559 12.168 935 1HD ARG 118 1HD ARG 118 7.381 17.627 11.800 936 2HD ARG 118 2HD ARG 118 8.057 18.600 13.108 937 HE ARG 118 HE ARG 118 7.655 19.513 10.281 938 1HH1 ARG 118 2HH2 ARG 118 7.348 20.343 13.733 939 2HH1 ARG 118 1HH2 ARG 118 7.044 22.014 13.410 940 1HH2 ARG 118 2HH1 ARG 118 7.191 21.657 9.872 941 2HH2 ARG 118 1HH1 ARG 118 7.125 22.818 11.151 942 H GLU 119 H GLU 119 12.259 18.681 7.993 943 HA GLU 119 HA GLU 119 14.347 18.380 9.791 944 1HB GLU 119 1HB GLU 119 14.062 18.499 6.842 945 2HB GLU 119 2HB GLU 119 15.693 18.727 7.476 946 1HG GLU 119 1HG GLU 119 15.671 16.636 8.626 947 2HG GLU 119 2HG GLU 119 13.937 16.442 8.436 948 H SER 120 H SER 120 13.017 21.326 8.519 949 HA SER 120 HA SER 120 15.269 22.971 9.049 950 1HB SER 120 1HB SER 120 13.164 23.520 7.719 951 2HB SER 120 2HB SER 120 12.307 23.714 9.252 952 HG SER 120 HG SER 120 13.189 25.595 9.483 953 H ILE 121 H ILE 121 13.200 21.272 11.206 954 HA ILE 121 HA ILE 121 14.036 22.863 13.570 955 HB ILE 121 HB ILE 121 11.943 20.644 13.355 956 1HG1 ILE 121 1HG1 ILE 121 10.404 22.695 13.991 957 2HG1 ILE 121 2HG1 ILE 121 11.656 23.668 13.226 958 1HG2 ILE 121 1HG2 ILE 121 11.298 21.373 15.618 959 2HG2 ILE 121 2HG2 ILE 121 12.960 20.796 15.576 960 3HG2 ILE 121 3HG2 ILE 121 12.641 22.545 15.622 961 1HD1 ILE 121 1HD1 ILE 121 11.232 22.477 11.086 962 2HD1 ILE 121 2HD1 ILE 121 10.139 21.361 11.937 963 3HD1 ILE 121 3HD1 ILE 121 9.717 23.071 11.765 964 H ILE 122 H ILE 122 14.054 19.591 12.057 965 HA ILE 122 HA ILE 122 15.512 18.278 14.081 966 HB ILE 122 HB ILE 122 15.533 17.565 11.187 967 1HG1 ILE 122 1HG1 ILE 122 13.782 16.805 13.603 968 2HG1 ILE 122 2HG1 ILE 122 13.244 17.780 12.245 969 1HG2 ILE 122 1HG2 ILE 122 16.133 15.326 11.963 970 2HG2 ILE 122 2HG2 ILE 122 17.356 16.458 12.490 971 3HG2 ILE 122 3HG2 ILE 122 16.146 15.880 13.653 972 1HD1 ILE 122 1HD1 ILE 122 12.373 15.643 11.962 973 2HD1 ILE 122 2HD1 ILE 122 13.651 15.882 10.732 974 3HD1 ILE 122 3HD1 ILE 122 13.963 14.879 12.179 975 H ALA 123 H ALA 123 16.606 20.552 11.531 976 HA ALA 123 HA ALA 123 19.379 20.124 11.689 977 1HB ALA 123 1HB ALA 123 17.735 22.619 11.144 978 2HB ALA 123 2HB ALA 123 19.495 22.507 10.896 979 3HB ALA 123 3HB ALA 123 18.398 21.492 9.952 980 H ASP 124 H ASP 124 17.266 21.521 14.146 981 HA ASP 124 HA ASP 124 19.459 22.849 15.599 982 1HB ASP 124 1HB ASP 124 16.955 23.443 15.652 983 2HB ASP 124 2HB ASP 124 16.724 22.024 16.672 984 H ASN 125 H ASN 125 18.255 19.741 15.132 985 HA ASN 125 HA ASN 125 18.143 17.770 16.157 986 1HB ASN 125 1HB ASN 125 20.603 18.129 15.426 987 2HB ASN 125 2HB ASN 125 20.966 18.195 17.155 988 1HD2 ASN 125 1HD2 ASN 125 19.729 16.289 18.402 989 2HD2 ASN 125 2HD2 ASN 125 19.637 14.714 17.593 990 H ASN 126 H ASN 126 16.843 19.647 17.626 991 HA ASN 126 HA ASN 126 17.769 19.909 20.264 992 1HB ASN 126 1HB ASN 126 15.858 21.240 19.055 993 2HB ASN 126 2HB ASN 126 14.792 19.987 19.732 994 1HD2 ASN 126 1HD2 ASN 126 17.188 22.472 20.444 995 2HD2 ASN 126 2HD2 ASN 126 16.960 22.525 22.199 996 H ILE 127 H ILE 127 15.328 17.601 18.986 997 HA ILE 127 HA ILE 127 16.154 15.738 21.145 998 HB ILE 127 HB ILE 127 13.279 16.459 20.466 999 1HG1 ILE 127 1HG1 ILE 127 14.948 16.526 23.010 1000 2HG1 ILE 127 2HG1 ILE 127 14.228 17.881 22.142 1001 1HG2 ILE 127 1HG2 ILE 127 14.303 14.030 21.996 1002 2HG2 ILE 127 2HG2 ILE 127 12.600 14.537 21.911 1003 3HG2 ILE 127 3HG2 ILE 127 13.410 14.006 20.469 1004 1HD1 ILE 127 1HD1 ILE 127 12.812 15.798 23.821 1005 2HD1 ILE 127 2HD1 ILE 127 12.859 17.557 24.020 1006 3HD1 ILE 127 3HD1 ILE 127 11.943 16.842 22.677 1007 H GLN 128 H GLN 128 13.829 15.730 18.425 1008 HA GLN 128 HA GLN 128 15.426 13.822 16.856 1009 1HB GLN 128 1HB GLN 128 12.679 13.331 18.106 1010 2HB GLN 128 2HB GLN 128 13.253 12.419 16.711 1011 1HG GLN 128 1HG GLN 128 14.992 11.381 17.899 1012 2HG GLN 128 2HG GLN 128 14.902 12.494 19.258 1013 1HE2 GLN 128 1HE2 GLN 128 14.979 9.844 19.741 1014 2HE2 GLN 128 2HE2 GLN 128 13.443 9.387 20.530 Start of MODEL 8 1 1H MET 1 H MET 1 -16.842 -3.675 -5.151 2 HA MET 1 HA MET 1 -16.162 -1.924 -6.611 3 1HB MET 1 1HB MET 1 -18.202 -2.339 -8.349 4 2HB MET 1 2HB MET 1 -16.838 -3.417 -8.098 5 1HG MET 1 1HG MET 1 -18.965 -4.619 -8.204 6 2HG MET 1 2HG MET 1 -18.098 -4.888 -6.706 7 1HE MET 1 1HE MET 1 -20.093 -5.972 -5.590 8 2HE MET 1 2HE MET 1 -21.706 -5.238 -5.408 9 3HE MET 1 3HE MET 1 -21.130 -5.750 -7.008 10 H LYS 2 H LYS 2 -16.161 0.181 -6.526 11 HA LYS 2 HA LYS 2 -17.347 2.231 -7.322 12 1HB LYS 2 1HB LYS 2 -19.191 1.450 -5.030 13 2HB LYS 2 2HB LYS 2 -18.964 3.119 -5.488 14 1HG LYS 2 1HG LYS 2 -19.945 2.947 -7.547 15 2HG LYS 2 2HG LYS 2 -19.662 1.208 -7.693 16 1HD LYS 2 1HD LYS 2 -21.397 0.687 -6.092 17 2HD LYS 2 2HD LYS 2 -21.575 2.388 -5.646 18 1HE LYS 2 1HE LYS 2 -23.399 1.674 -7.119 19 2HE LYS 2 2HE LYS 2 -22.424 2.954 -7.851 20 1HZ LYS 2 1HZ LYS 2 -21.315 1.267 -9.179 21 2HZ LYS 2 2HZ LYS 2 -22.260 0.070 -8.518 22 3HZ LYS 2 3HZ LYS 2 -22.904 1.272 -9.447 23 H ALA 3 H ALA 3 -16.374 4.117 -6.534 24 HA ALA 3 HA ALA 3 -14.424 3.952 -4.447 25 1HB ALA 3 1HB ALA 3 -15.831 6.397 -5.620 26 2HB ALA 3 2HB ALA 3 -14.326 6.413 -4.680 27 3HB ALA 3 3HB ALA 3 -14.358 5.642 -6.277 28 H LEU 4 H LEU 4 -14.563 4.973 -2.275 29 HA LEU 4 HA LEU 4 -17.224 4.505 -1.113 30 1HB LEU 4 1HB LEU 4 -14.974 3.668 -0.166 31 2HB LEU 4 2HB LEU 4 -14.712 5.296 0.406 32 HG LEU 4 HG LEU 4 -15.547 3.958 2.172 33 1HD1 LEU 4 1HD1 LEU 4 -16.474 6.234 2.172 34 2HD1 LEU 4 2HD1 LEU 4 -17.929 5.642 1.348 35 3HD1 LEU 4 3HD1 LEU 4 -17.520 5.053 2.966 36 1HD2 LEU 4 1HD2 LEU 4 -16.619 2.175 0.841 37 2HD2 LEU 4 2HD2 LEU 4 -17.636 2.725 2.177 38 3HD2 LEU 4 3HD2 LEU 4 -18.006 3.243 0.527 39 H GLU 5 H GLU 5 -14.810 7.119 -0.526 40 HA GLU 5 HA GLU 5 -14.891 9.280 -0.253 41 1HB GLU 5 1HB GLU 5 -17.549 9.395 -1.702 42 2HB GLU 5 2HB GLU 5 -16.419 10.690 -1.391 43 1HG GLU 5 1HG GLU 5 -14.740 9.535 -2.877 44 2HG GLU 5 2HG GLU 5 -15.961 8.309 -3.241 45 H HIS 6 H HIS 6 -15.625 10.822 1.149 46 HA HIS 6 HA HIS 6 -18.126 10.913 2.446 47 1HB HIS 6 1HB HIS 6 -15.966 9.485 4.027 48 2HB HIS 6 2HB HIS 6 -17.016 10.625 4.858 49 HD1 HIS 6 HD1 HIS 6 -19.863 10.061 3.966 50 HD2 HIS 6 HD2 HIS 6 -16.908 7.080 4.512 51 HE1 HIS 6 HE1 HIS 6 -21.094 7.833 4.309 52 HE2 HIS 6 HE2 HIS 6 -19.284 6.040 4.707 53 H GLU 7 H GLU 7 -14.721 11.502 3.494 54 HA GLU 7 HA GLU 7 -14.963 14.322 2.857 55 1HB GLU 7 1HB GLU 7 -15.991 13.758 5.269 56 2HB GLU 7 2HB GLU 7 -14.314 13.734 5.761 57 1HG GLU 7 1HG GLU 7 -15.882 16.009 4.502 58 2HG GLU 7 2HG GLU 7 -15.260 15.927 6.146 59 H LYS 8 H LYS 8 -13.394 12.834 1.451 60 HA LYS 8 HA LYS 8 -10.654 13.112 2.525 61 1HB LYS 8 1HB LYS 8 -11.820 10.643 1.139 62 2HB LYS 8 2HB LYS 8 -10.108 10.998 1.178 63 1HG LYS 8 1HG LYS 8 -10.462 9.372 2.790 64 2HG LYS 8 2HG LYS 8 -10.097 10.862 3.659 65 1HD LYS 8 1HD LYS 8 -12.174 10.931 4.650 66 2HD LYS 8 2HD LYS 8 -12.994 10.327 3.209 67 1HE LYS 8 1HE LYS 8 -13.283 8.729 4.932 68 2HE LYS 8 2HE LYS 8 -12.256 8.040 3.670 69 1HZ LYS 8 1HZ LYS 8 -10.349 8.430 5.151 70 2HZ LYS 8 2HZ LYS 8 -11.354 9.060 6.287 71 3HZ LYS 8 3HZ LYS 8 -11.512 7.486 5.851 72 H THR 9 H THR 9 -9.079 13.301 0.671 73 HA THR 9 HA THR 9 -10.357 14.092 -1.871 74 HB THR 9 HB THR 9 -8.139 15.200 -2.208 75 HG1 THR 9 1HG THR 9 -7.511 15.821 0.219 76 1HG2 THR 9 1HG2 THR 9 -9.850 16.142 0.151 77 2HG2 THR 9 2HG2 THR 9 -8.860 17.168 -0.909 78 3HG2 THR 9 3HG2 THR 9 -10.291 16.339 -1.558 79 HA PRO 10 HA PRO 10 -8.352 10.009 -2.553 80 1HB PRO 10 1HB PRO 10 -10.041 9.108 -4.554 81 2HB PRO 10 2HB PRO 10 -10.307 8.857 -2.802 82 1HG PRO 10 1HG PRO 10 -11.462 11.034 -4.569 83 2HG PRO 10 2HG PRO 10 -12.317 9.998 -3.379 84 1HD PRO 10 1HD PRO 10 -11.525 12.493 -2.744 85 2HD PRO 10 2HD PRO 10 -11.373 11.177 -1.547 86 H GLU 11 H GLU 11 -9.028 12.827 -4.541 87 HA GLU 11 HA GLU 11 -7.506 11.808 -6.855 88 1HB GLU 11 1HB GLU 11 -8.670 14.515 -6.158 89 2HB GLU 11 2HB GLU 11 -7.788 14.192 -7.652 90 1HG GLU 11 1HG GLU 11 -9.455 12.760 -8.503 91 2HG GLU 11 2HG GLU 11 -10.184 12.483 -6.916 92 H LEU 12 H LEU 12 -6.992 13.899 -4.002 93 HA LEU 12 HA LEU 12 -4.313 14.787 -4.756 94 1HB LEU 12 1HB LEU 12 -5.868 15.870 -3.002 95 2HB LEU 12 2HB LEU 12 -5.508 14.507 -1.964 96 HG LEU 12 HG LEU 12 -4.160 16.283 -1.242 97 1HD1 LEU 12 1HD1 LEU 12 -1.881 15.602 -1.421 98 2HD1 LEU 12 2HD1 LEU 12 -2.855 14.123 -1.438 99 3HD1 LEU 12 3HD1 LEU 12 -2.147 14.774 -2.945 100 1HD2 LEU 12 1HD2 LEU 12 -4.334 17.743 -3.186 101 2HD2 LEU 12 2HD2 LEU 12 -2.658 17.603 -2.640 102 3HD2 LEU 12 3HD2 LEU 12 -3.186 16.714 -4.082 103 H ALA 13 H ALA 13 -5.810 12.276 -2.760 104 HA ALA 13 HA ALA 13 -3.400 11.065 -1.829 105 1HB ALA 13 1HB ALA 13 -4.897 9.211 -1.144 106 2HB ALA 13 2HB ALA 13 -5.529 10.798 -0.650 107 3HB ALA 13 3HB ALA 13 -6.226 9.958 -2.051 108 H ALA 14 H ALA 14 -5.358 10.559 -4.756 109 HA ALA 14 HA ALA 14 -3.862 8.231 -5.636 110 1HB ALA 14 1HB ALA 14 -6.145 8.549 -6.446 111 2HB ALA 14 2HB ALA 14 -5.711 10.127 -7.125 112 3HB ALA 14 3HB ALA 14 -5.018 8.641 -7.805 113 H LYS 15 H LYS 15 -3.601 11.790 -6.104 114 HA LYS 15 HA LYS 15 -1.522 11.520 -8.148 115 1HB LYS 15 1HB LYS 15 -2.620 13.774 -6.437 116 2HB LYS 15 2HB LYS 15 -1.052 13.989 -7.172 117 1HG LYS 15 1HG LYS 15 -3.648 13.397 -8.673 118 2HG LYS 15 2HG LYS 15 -2.792 14.945 -8.562 119 1HD LYS 15 1HD LYS 15 -0.778 13.745 -9.591 120 2HD LYS 15 2HD LYS 15 -1.893 12.430 -10.018 121 1HE LYS 15 1HE LYS 15 -3.305 13.964 -11.293 122 2HE LYS 15 2HE LYS 15 -2.297 15.333 -10.813 123 1HZ LYS 15 1HZ LYS 15 -0.457 14.366 -11.991 124 2HZ LYS 15 2HZ LYS 15 -1.334 13.058 -12.439 125 3HZ LYS 15 3HZ LYS 15 -1.730 14.544 -13.014 126 H LEU 16 H LEU 16 -1.612 11.717 -4.649 127 HA LEU 16 HA LEU 16 1.266 11.693 -4.314 128 1HB LEU 16 1HB LEU 16 -0.375 12.605 -2.688 129 2HB LEU 16 2HB LEU 16 -1.047 11.002 -2.461 130 HG LEU 16 HG LEU 16 0.406 11.706 -0.637 131 1HD1 LEU 16 1HD1 LEU 16 1.835 9.408 -1.969 132 2HD1 LEU 16 2HD1 LEU 16 1.562 9.729 -0.258 133 3HD1 LEU 16 3HD1 LEU 16 0.195 9.259 -1.287 134 1HD2 LEU 16 1HD2 LEU 16 2.837 11.976 -0.980 135 2HD2 LEU 16 2HD2 LEU 16 2.658 11.709 -2.700 136 3HD2 LEU 16 3HD2 LEU 16 1.921 13.137 -1.937 137 H ALA 17 H ALA 17 -1.335 9.183 -4.307 138 HA ALA 17 HA ALA 17 0.209 6.929 -3.894 139 1HB ALA 17 1HB ALA 17 -2.002 6.963 -5.979 140 2HB ALA 17 2HB ALA 17 -1.450 5.620 -4.982 141 3HB ALA 17 3HB ALA 17 -2.339 6.954 -4.249 142 H ALA 18 H ALA 18 -0.060 8.849 -6.897 143 HA ALA 18 HA ALA 18 0.939 6.971 -8.698 144 1HB ALA 18 1HB ALA 18 1.458 9.981 -8.697 145 2HB ALA 18 2HB ALA 18 1.525 8.903 -10.093 146 3HB ALA 18 3HB ALA 18 -0.027 9.204 -9.298 147 H GLU 19 H GLU 19 2.728 9.278 -6.645 148 HA GLU 19 HA GLU 19 5.322 8.453 -7.587 149 1HB GLU 19 1HB GLU 19 4.739 9.888 -4.975 150 2HB GLU 19 2HB GLU 19 6.170 10.005 -5.995 151 1HG GLU 19 1HG GLU 19 3.393 11.137 -6.538 152 2HG GLU 19 2HG GLU 19 4.851 12.027 -6.169 153 H ALA 20 H ALA 20 3.256 7.678 -4.812 154 HA ALA 20 HA ALA 20 5.029 5.971 -3.381 155 1HB ALA 20 1HB ALA 20 2.011 5.599 -3.652 156 2HB ALA 20 2HB ALA 20 3.047 5.064 -2.329 157 3HB ALA 20 3HB ALA 20 2.747 6.804 -2.571 158 H ILE 21 H ILE 21 2.913 5.388 -6.168 159 HA ILE 21 HA ILE 21 3.370 2.573 -6.306 160 HB ILE 21 HB ILE 21 2.042 4.764 -7.925 161 1HG1 ILE 21 1HG1 ILE 21 1.105 2.045 -7.028 162 2HG1 ILE 21 2HG1 ILE 21 0.968 3.499 -6.061 163 1HG2 ILE 21 1HG2 ILE 21 1.436 3.283 -9.810 164 2HG2 ILE 21 2HG2 ILE 21 3.123 3.772 -9.776 165 3HG2 ILE 21 3HG2 ILE 21 2.687 2.150 -9.253 166 1HD1 ILE 21 1HD1 ILE 21 -1.161 3.094 -7.065 167 2HD1 ILE 21 2HD1 ILE 21 -0.462 4.518 -7.865 168 3HD1 ILE 21 3HD1 ILE 21 -0.458 2.929 -8.677 169 H GLU 22 H GLU 22 5.193 5.365 -7.634 170 HA GLU 22 HA GLU 22 6.691 3.637 -9.442 171 1HB GLU 22 1HB GLU 22 6.679 6.107 -9.752 172 2HB GLU 22 2HB GLU 22 7.525 6.292 -8.202 173 1HG GLU 22 1HG GLU 22 9.309 4.669 -9.197 174 2HG GLU 22 2HG GLU 22 8.532 4.950 -10.741 175 H ARG 23 H ARG 23 7.056 4.842 -6.078 176 HA ARG 23 HA ARG 23 9.596 3.579 -5.694 177 1HB ARG 23 1HB ARG 23 8.522 5.622 -4.505 178 2HB ARG 23 2HB ARG 23 7.761 4.442 -3.433 179 1HG ARG 23 1HG ARG 23 9.935 3.650 -2.674 180 2HG ARG 23 2HG ARG 23 10.769 4.532 -3.973 181 1HD ARG 23 1HD ARG 23 10.024 6.683 -3.032 182 2HD ARG 23 2HD ARG 23 9.203 5.834 -1.715 183 HE ARG 23 HE ARG 23 12.041 5.195 -1.949 184 1HH1 ARG 23 2HH2 ARG 23 9.965 7.873 -0.837 185 2HH1 ARG 23 1HH2 ARG 23 10.865 8.144 0.626 186 1HH2 ARG 23 2HH1 ARG 23 13.376 5.744 -0.165 187 2HH2 ARG 23 1HH1 ARG 23 13.020 7.176 0.752 188 H ASP 24 H ASP 24 6.279 2.620 -4.795 189 HA ASP 24 HA ASP 24 7.215 0.079 -3.644 190 1HB ASP 24 1HB ASP 24 5.486 1.456 -2.479 191 2HB ASP 24 2HB ASP 24 4.418 1.220 -3.810 192 HA PRO 25 HA PRO 25 6.174 -1.415 -7.846 193 1HB PRO 25 1HB PRO 25 7.410 -3.834 -7.767 194 2HB PRO 25 2HB PRO 25 8.299 -2.307 -7.993 195 1HG PRO 25 1HG PRO 25 7.853 -3.827 -5.399 196 2HG PRO 25 2HG PRO 25 9.406 -3.224 -6.064 197 1HD PRO 25 1HD PRO 25 8.007 -1.802 -4.225 198 2HD PRO 25 2HD PRO 25 8.851 -0.983 -5.570 199 H TRP 26 H TRP 26 5.285 -2.659 -4.651 200 HA TRP 26 HA TRP 26 3.439 -4.658 -5.822 201 1HB TRP 26 1HB TRP 26 4.382 -5.255 -3.682 202 2HB TRP 26 2HB TRP 26 3.890 -3.718 -2.976 203 HD1 TRP 26 HD TRP 26 2.112 -4.195 -1.311 204 HE1 TRP 26 1HE TRP 26 -0.137 -5.347 -1.222 205 HE3 TRP 26 3HE TRP 26 2.325 -6.585 -5.820 206 HZ2 TRP 26 2HZ TRP 26 -1.555 -7.366 -2.840 207 HZ3 TRP 26 3HZ TRP 26 0.772 -8.434 -6.309 208 HH2 TRP 26 HH TRP 26 -1.257 -8.745 -4.895 209 H ALA 27 H ALA 27 3.358 -1.316 -4.361 210 HA ALA 27 HA ALA 27 0.530 -1.063 -4.599 211 1HB ALA 27 1HB ALA 27 2.568 1.149 -4.950 212 2HB ALA 27 2HB ALA 27 0.857 1.333 -4.537 213 3HB ALA 27 3HB ALA 27 1.971 0.572 -3.382 214 H ALA 28 H ALA 28 3.166 -0.641 -6.975 215 HA ALA 28 HA ALA 28 1.612 0.366 -9.130 216 1HB ALA 28 1HB ALA 28 4.050 -1.494 -9.211 217 2HB ALA 28 2HB ALA 28 3.420 -0.550 -10.564 218 3HB ALA 28 3HB ALA 28 4.108 0.273 -9.156 219 H GLN 29 H GLN 29 2.465 -2.932 -8.205 220 HA GLN 29 HA GLN 29 0.956 -4.268 -10.243 221 1HB GLN 29 1HB GLN 29 2.067 -5.087 -7.539 222 2HB GLN 29 2HB GLN 29 1.015 -6.183 -8.417 223 1HG GLN 29 1HG GLN 29 2.510 -5.955 -10.415 224 2HG GLN 29 2HG GLN 29 3.624 -4.990 -9.451 225 1HE2 GLN 29 1HE2 GLN 29 4.620 -7.124 -10.663 226 2HE2 GLN 29 2HE2 GLN 29 4.846 -8.524 -9.637 227 H VAL 30 H VAL 30 -0.000 -3.169 -6.946 228 HA VAL 30 HA VAL 30 -2.547 -4.364 -6.893 229 HB VAL 30 HB VAL 30 -1.185 -2.052 -5.501 230 1HG1 VAL 30 1HG1 VAL 30 -3.391 -1.131 -5.548 231 2HG1 VAL 30 2HG1 VAL 30 -4.118 -2.681 -5.105 232 3HG1 VAL 30 3HG1 VAL 30 -3.104 -1.800 -3.940 233 1HG2 VAL 30 1HG2 VAL 30 -1.543 -3.563 -3.549 234 2HG2 VAL 30 2HG2 VAL 30 -2.356 -4.708 -4.662 235 3HG2 VAL 30 3HG2 VAL 30 -0.652 -4.334 -4.864 236 H SER 31 H SER 31 -1.538 -1.207 -8.201 237 HA SER 31 HA SER 31 -4.229 -0.406 -8.802 238 1HB SER 31 1HB SER 31 -1.824 0.881 -8.833 239 2HB SER 31 2HB SER 31 -2.011 0.585 -10.566 240 HG SER 31 HG SER 31 -2.956 2.532 -10.041 241 H GLN 32 H GLN 32 -1.939 -2.499 -10.431 242 HA GLN 32 HA GLN 32 -3.444 -2.582 -12.943 243 1HB GLN 32 1HB GLN 32 -1.005 -2.571 -12.842 244 2HB GLN 32 2HB GLN 32 -0.978 -4.048 -11.896 245 1HG GLN 32 1HG GLN 32 -1.652 -5.400 -13.693 246 2HG GLN 32 2HG GLN 32 -2.262 -4.025 -14.632 247 1HE2 GLN 32 1HE2 GLN 32 -0.549 -2.299 -15.203 248 2HE2 GLN 32 2HE2 GLN 32 1.053 -2.891 -15.633 249 H LEU 33 H LEU 33 -3.184 -4.454 -9.962 250 HA LEU 33 HA LEU 33 -4.619 -6.807 -10.892 251 1HB LEU 33 1HB LEU 33 -4.263 -5.675 -8.075 252 2HB LEU 33 2HB LEU 33 -4.988 -7.218 -8.455 253 HG LEU 33 HG LEU 33 -2.107 -6.441 -8.442 254 1HD1 LEU 33 1HD1 LEU 33 -3.501 -8.994 -7.635 255 2HD1 LEU 33 2HD1 LEU 33 -1.835 -8.492 -7.283 256 3HD1 LEU 33 3HD1 LEU 33 -3.180 -7.609 -6.558 257 1HD2 LEU 33 1HD2 LEU 33 -3.260 -8.584 -10.253 258 2HD2 LEU 33 2HD2 LEU 33 -2.207 -7.226 -10.695 259 3HD2 LEU 33 3HD2 LEU 33 -1.573 -8.550 -9.706 260 H SER 34 H SER 34 -5.502 -3.672 -10.030 261 HA SER 34 HA SER 34 -7.427 -2.542 -9.619 262 1HB SER 34 1HB SER 34 -7.497 -3.203 -12.056 263 2HB SER 34 2HB SER 34 -8.608 -4.509 -11.622 264 HG SER 34 HG SER 34 -9.021 -1.732 -11.069 265 H LEU 35 H LEU 35 -7.082 -3.869 -7.435 266 HA LEU 35 HA LEU 35 -9.097 -5.846 -6.792 267 1HB LEU 35 1HB LEU 35 -7.582 -3.979 -4.932 268 2HB LEU 35 2HB LEU 35 -8.600 -5.309 -4.461 269 HG LEU 35 HG LEU 35 -6.636 -6.338 -4.187 270 1HD1 LEU 35 1HD1 LEU 35 -6.895 -6.840 -7.173 271 2HD1 LEU 35 2HD1 LEU 35 -5.999 -7.824 -6.004 272 3HD1 LEU 35 3HD1 LEU 35 -7.764 -7.712 -5.899 273 1HD2 LEU 35 1HD2 LEU 35 -4.575 -5.850 -5.430 274 2HD2 LEU 35 2HD2 LEU 35 -5.474 -4.661 -6.415 275 3HD2 LEU 35 3HD2 LEU 35 -5.313 -4.440 -4.666 276 HA PRO 36 HA PRO 36 -12.372 -2.924 -6.812 277 1HB PRO 36 1HB PRO 36 -14.357 -4.200 -5.350 278 2HB PRO 36 2HB PRO 36 -13.937 -4.509 -7.059 279 1HG PRO 36 1HG PRO 36 -13.009 -6.024 -4.616 280 2HG PRO 36 2HG PRO 36 -13.573 -6.670 -6.192 281 1HD PRO 36 1HD PRO 36 -10.934 -6.491 -5.640 282 2HD PRO 36 2HD PRO 36 -11.550 -6.090 -7.268 283 H LYS 37 H LYS 37 -12.811 -4.159 -3.386 284 HA LYS 37 HA LYS 37 -11.813 -1.538 -2.462 285 1HB LYS 37 1HB LYS 37 -14.478 -1.689 -3.075 286 2HB LYS 37 2HB LYS 37 -14.515 -2.194 -1.384 287 1HG LYS 37 1HG LYS 37 -14.764 0.145 -1.318 288 2HG LYS 37 2HG LYS 37 -13.068 -0.147 -0.885 289 1HD LYS 37 1HD LYS 37 -12.369 0.424 -3.205 290 2HD LYS 37 2HD LYS 37 -14.063 0.620 -3.660 291 1HE LYS 37 1HE LYS 37 -13.087 2.774 -3.297 292 2HE LYS 37 2HE LYS 37 -14.265 2.472 -2.002 293 1HZ LYS 37 1HZ LYS 37 -11.354 2.012 -1.765 294 2HZ LYS 37 2HZ LYS 37 -12.097 3.416 -1.355 295 3HZ LYS 37 3HZ LYS 37 -12.469 2.025 -0.523 296 H LEU 38 H LEU 38 -13.615 -4.412 -1.217 297 HA LEU 38 HA LEU 38 -12.334 -4.332 1.355 298 1HB LEU 38 1HB LEU 38 -14.442 -5.619 0.779 299 2HB LEU 38 2HB LEU 38 -13.451 -6.710 -0.185 300 HG LEU 38 HG LEU 38 -12.135 -7.235 1.960 301 1HD1 LEU 38 1HD1 LEU 38 -13.299 -6.803 4.081 302 2HD1 LEU 38 2HD1 LEU 38 -12.907 -5.270 3.292 303 3HD1 LEU 38 3HD1 LEU 38 -14.568 -5.887 3.231 304 1HD2 LEU 38 1HD2 LEU 38 -13.864 -8.819 2.767 305 2HD2 LEU 38 2HD2 LEU 38 -15.092 -7.956 1.818 306 3HD2 LEU 38 3HD2 LEU 38 -13.766 -8.798 0.997 307 H VAL 39 H VAL 39 -11.699 -6.117 -1.673 308 HA VAL 39 HA VAL 39 -9.307 -7.365 -0.798 309 HB VAL 39 HB VAL 39 -9.969 -6.776 -3.690 310 1HG1 VAL 39 1HG1 VAL 39 -7.837 -7.978 -3.137 311 2HG1 VAL 39 2HG1 VAL 39 -8.785 -9.242 -2.351 312 3HG1 VAL 39 3HG1 VAL 39 -8.952 -8.958 -4.092 313 1HG2 VAL 39 1HG2 VAL 39 -12.083 -7.492 -2.996 314 2HG2 VAL 39 2HG2 VAL 39 -11.330 -8.960 -3.591 315 3HG2 VAL 39 3HG2 VAL 39 -11.432 -8.667 -1.846 316 H GLU 40 H GLU 40 -9.974 -4.134 -2.051 317 HA GLU 40 HA GLU 40 -7.237 -3.446 -2.767 318 1HB GLU 40 1HB GLU 40 -9.061 -2.073 -3.625 319 2HB GLU 40 2HB GLU 40 -9.684 -1.797 -2.012 320 1HG GLU 40 1HG GLU 40 -7.546 -0.575 -1.452 321 2HG GLU 40 2HG GLU 40 -7.147 -0.643 -3.170 322 H GLN 41 H GLN 41 -9.313 -3.044 0.191 323 HA GLN 41 HA GLN 41 -7.363 -1.916 1.848 324 1HB GLN 41 1HB GLN 41 -9.965 -2.537 2.209 325 2HB GLN 41 2HB GLN 41 -9.293 -3.958 2.988 326 1HG GLN 41 1HG GLN 41 -7.960 -2.464 4.483 327 2HG GLN 41 2HG GLN 41 -8.700 -1.054 3.712 328 1HE2 GLN 41 1HE2 GLN 41 -11.432 -2.131 3.532 329 2HE2 GLN 41 2HE2 GLN 41 -12.033 -2.245 5.175 330 H VAL 42 H VAL 42 -7.968 -5.346 1.089 331 HA VAL 42 HA VAL 42 -6.073 -6.468 2.913 332 HB VAL 42 HB VAL 42 -7.421 -7.460 0.369 333 1HG1 VAL 42 1HG1 VAL 42 -5.672 -9.111 2.241 334 2HG1 VAL 42 2HG1 VAL 42 -6.783 -9.770 1.026 335 3HG1 VAL 42 3HG1 VAL 42 -5.393 -8.815 0.513 336 1HG2 VAL 42 1HG2 VAL 42 -8.746 -7.024 2.461 337 2HG2 VAL 42 2HG2 VAL 42 -8.726 -8.731 2.000 338 3HG2 VAL 42 3HG2 VAL 42 -7.653 -8.157 3.294 339 H ALA 43 H ALA 43 -5.769 -5.739 -0.631 340 HA ALA 43 HA ALA 43 -3.071 -6.607 -0.717 341 1HB ALA 43 1HB ALA 43 -4.450 -4.552 -2.483 342 2HB ALA 43 2HB ALA 43 -3.015 -5.539 -2.852 343 3HB ALA 43 3HB ALA 43 -4.589 -6.324 -2.676 344 H LEU 44 H LEU 44 -4.535 -3.508 0.106 345 HA LEU 44 HA LEU 44 -2.122 -1.941 0.121 346 1HB LEU 44 1HB LEU 44 -4.888 -1.534 1.326 347 2HB LEU 44 2HB LEU 44 -3.603 -0.371 1.535 348 HG LEU 44 HG LEU 44 -4.843 -1.130 -1.135 349 1HD1 LEU 44 1HD1 LEU 44 -6.269 0.235 0.390 350 2HD1 LEU 44 2HD1 LEU 44 -4.965 1.431 0.524 351 3HD1 LEU 44 3HD1 LEU 44 -5.757 1.150 -1.039 352 1HD2 LEU 44 1HD2 LEU 44 -3.585 0.828 -2.024 353 2HD2 LEU 44 2HD2 LEU 44 -2.643 0.871 -0.518 354 3HD2 LEU 44 3HD2 LEU 44 -2.575 -0.546 -1.612 355 H ASN 45 H ASN 45 -3.888 -3.888 2.615 356 HA ASN 45 HA ASN 45 -2.164 -2.756 4.717 357 1HB ASN 45 1HB ASN 45 -4.517 -4.647 4.714 358 2HB ASN 45 2HB ASN 45 -3.437 -4.599 6.097 359 1HD2 ASN 45 1HD2 ASN 45 -5.524 -2.507 4.115 360 2HD2 ASN 45 2HD2 ASN 45 -5.710 -1.265 5.376 361 H ALA 46 H ALA 46 -1.206 -4.745 2.333 362 HA ALA 46 HA ALA 46 0.478 -6.313 4.173 363 1HB ALA 46 1HB ALA 46 -0.888 -7.257 1.621 364 2HB ALA 46 2HB ALA 46 0.264 -8.219 2.577 365 3HB ALA 46 3HB ALA 46 -1.319 -7.786 3.254 366 H TRP 47 H TRP 47 2.439 -6.928 3.347 367 HA TRP 47 HA TRP 47 3.418 -5.370 0.989 368 1HB TRP 47 1HB TRP 47 5.662 -5.609 1.901 369 2HB TRP 47 2HB TRP 47 4.622 -4.678 2.946 370 HD1 TRP 47 HD TRP 47 3.993 -5.649 5.300 371 HE1 TRP 47 1HE TRP 47 5.208 -7.298 6.844 372 HE3 TRP 47 3HE TRP 47 6.906 -8.075 1.829 373 HZ2 TRP 47 2HZ TRP 47 7.261 -9.275 6.648 374 HZ3 TRP 47 3HZ TRP 47 8.471 -9.856 2.587 375 HH2 TRP 47 HH TRP 47 8.665 -10.438 4.966 376 H LYS 48 H LYS 48 4.413 -6.582 -0.612 377 HA LYS 48 HA LYS 48 3.500 -9.386 -0.624 378 1HB LYS 48 1HB LYS 48 2.839 -7.727 -2.398 379 2HB LYS 48 2HB LYS 48 4.511 -7.498 -2.798 380 1HG LYS 48 1HG LYS 48 4.396 -10.189 -3.104 381 2HG LYS 48 2HG LYS 48 2.692 -9.783 -3.367 382 1HD LYS 48 1HD LYS 48 3.548 -9.647 -5.538 383 2HD LYS 48 2HD LYS 48 3.672 -7.973 -5.008 384 1HE LYS 48 1HE LYS 48 6.026 -8.229 -4.481 385 2HE LYS 48 2HE LYS 48 5.943 -9.949 -4.940 386 1HZ LYS 48 1HZ LYS 48 5.489 -7.637 -6.736 387 2HZ LYS 48 2HZ LYS 48 6.746 -8.689 -6.814 388 3HZ LYS 48 3HZ LYS 48 5.222 -9.205 -7.141 389 H GLU 49 H GLU 49 4.958 -10.810 0.190 390 HA GLU 49 HA GLU 49 7.841 -10.412 -0.373 391 1HB GLU 49 1HB GLU 49 6.961 -11.314 1.862 392 2HB GLU 49 2HB GLU 49 6.396 -12.735 0.995 393 1HG GLU 49 1HG GLU 49 8.668 -13.283 0.298 394 2HG GLU 49 2HG GLU 49 9.290 -11.779 0.975 395 H GLU 50 H GLU 50 8.822 -11.834 -1.971 396 HA GLU 50 HA GLU 50 6.946 -13.634 -3.423 397 1HB GLU 50 1HB GLU 50 7.106 -11.688 -4.717 398 2HB GLU 50 2HB GLU 50 8.848 -11.578 -4.541 399 1HG GLU 50 1HG GLU 50 9.150 -13.610 -5.888 400 2HG GLU 50 2HG GLU 50 7.399 -13.881 -5.882 401 H SER 51 H SER 51 7.586 -15.627 -3.378 402 HA SER 51 HA SER 51 10.156 -16.398 -2.193 403 1HB SER 51 1HB SER 51 7.779 -18.076 -3.053 404 2HB SER 51 2HB SER 51 9.085 -18.560 -1.986 405 HG SER 51 HG SER 51 8.267 -16.805 -0.541 406 H ASP 52 H ASP 52 10.960 -18.509 -3.406 407 HA ASP 52 HA ASP 52 12.038 -18.170 -5.857 408 1HB ASP 52 1HB ASP 52 12.445 -20.173 -4.605 409 2HB ASP 52 2HB ASP 52 10.764 -20.683 -4.724 410 H ASN 53 H ASN 53 8.798 -19.661 -5.446 411 HA ASN 53 HA ASN 53 7.996 -18.495 -8.077 412 1HB ASN 53 1HB ASN 53 8.809 -21.059 -8.020 413 2HB ASN 53 2HB ASN 53 7.121 -21.307 -7.579 414 1HD2 ASN 53 1HD2 ASN 53 9.358 -20.103 -10.068 415 2HD2 ASN 53 2HD2 ASN 53 8.193 -19.930 -11.353 416 H ALA 54 H ALA 54 7.209 -17.915 -5.142 417 HA ALA 54 HA ALA 54 4.291 -18.198 -5.538 418 1HB ALA 54 1HB ALA 54 5.078 -19.943 -3.866 419 2HB ALA 54 2HB ALA 54 5.748 -18.645 -2.863 420 3HB ALA 54 3HB ALA 54 4.014 -18.722 -3.138 421 H VAL 55 H VAL 55 3.202 -16.610 -4.047 422 HA VAL 55 HA VAL 55 4.876 -14.208 -3.474 423 HB VAL 55 HB VAL 55 2.305 -14.201 -5.112 424 1HG1 VAL 55 1HG1 VAL 55 2.772 -11.790 -5.387 425 2HG1 VAL 55 2HG1 VAL 55 2.570 -12.171 -3.664 426 3HG1 VAL 55 3HG1 VAL 55 4.201 -11.949 -4.350 427 1HG2 VAL 55 1HG2 VAL 55 5.162 -13.438 -5.913 428 2HG2 VAL 55 2HG2 VAL 55 4.343 -14.901 -6.452 429 3HG2 VAL 55 3HG2 VAL 55 3.727 -13.325 -6.941 430 H CYS 56 H CYS 56 4.656 -13.935 -1.328 431 HA CYS 56 HA CYS 56 2.177 -14.935 -0.001 432 1HB CYS 56 1HB CYS 56 4.996 -14.659 1.118 433 2HB CYS 56 2HB CYS 56 3.560 -15.152 2.031 434 HG CYS 56 HG CYS 56 5.146 -16.619 -0.477 435 H LEU 57 H LEU 57 0.855 -13.245 0.451 436 HA LEU 57 HA LEU 57 1.974 -10.536 0.775 437 1HB LEU 57 1HB LEU 57 -0.785 -11.689 0.421 438 2HB LEU 57 2HB LEU 57 -0.632 -10.112 1.200 439 HG LEU 57 HG LEU 57 0.784 -10.720 -1.414 440 1HD1 LEU 57 1HD1 LEU 57 -1.885 -9.284 -1.218 441 2HD1 LEU 57 2HD1 LEU 57 -0.968 -9.778 -2.669 442 3HD1 LEU 57 3HD1 LEU 57 -1.728 -10.991 -1.645 443 1HD2 LEU 57 1HD2 LEU 57 -0.184 -8.032 -0.336 444 2HD2 LEU 57 2HD2 LEU 57 1.430 -8.653 0.013 445 3HD2 LEU 57 3HD2 LEU 57 0.937 -8.367 -1.651 446 H HIS 58 H HIS 58 2.817 -10.007 2.611 447 HA HIS 58 HA HIS 58 2.058 -11.272 5.176 448 1HB HIS 58 1HB HIS 58 4.154 -9.323 4.197 449 2HB HIS 58 2HB HIS 58 3.895 -9.567 5.900 450 HD1 HIS 58 HD1 HIS 58 5.562 -11.259 6.903 451 HD2 HIS 58 HD2 HIS 58 4.727 -11.791 2.800 452 HE1 HIS 58 HE1 HIS 58 7.098 -13.158 6.055 453 HE2 HIS 58 HE2 HIS 58 6.610 -13.491 3.597 454 H LEU 59 H LEU 59 -0.036 -10.524 5.616 455 HA LEU 59 HA LEU 59 -0.671 -7.641 5.356 456 1HB LEU 59 1HB LEU 59 -2.272 -9.470 4.579 457 2HB LEU 59 2HB LEU 59 -2.370 -10.025 6.233 458 HG LEU 59 HG LEU 59 -2.932 -7.195 6.320 459 1HD1 LEU 59 1HD1 LEU 59 -4.465 -8.605 4.122 460 2HD1 LEU 59 2HD1 LEU 59 -4.924 -7.054 4.873 461 3HD1 LEU 59 3HD1 LEU 59 -3.398 -7.187 3.991 462 1HD2 LEU 59 1HD2 LEU 59 -3.868 -9.067 7.750 463 2HD2 LEU 59 2HD2 LEU 59 -5.007 -7.811 7.217 464 3HD2 LEU 59 3HD2 LEU 59 -5.012 -9.375 6.417 465 H ARG 60 H ARG 60 -0.923 -6.264 7.074 466 HA ARG 60 HA ARG 60 0.316 -6.885 9.479 467 1HB ARG 60 1HB ARG 60 -1.765 -4.753 8.976 468 2HB ARG 60 2HB ARG 60 -0.831 -4.867 10.451 469 1HG ARG 60 1HG ARG 60 0.484 -4.596 7.710 470 2HG ARG 60 2HG ARG 60 0.111 -3.235 8.776 471 1HD ARG 60 1HD ARG 60 1.510 -4.167 10.541 472 2HD ARG 60 2HD ARG 60 1.890 -5.586 9.590 473 HE ARG 60 HE ARG 60 3.172 -4.366 8.093 474 1HH1 ARG 60 2HH2 ARG 60 2.458 -2.638 11.095 475 2HH1 ARG 60 1HH2 ARG 60 3.103 -1.108 10.588 476 1HH2 ARG 60 2HH1 ARG 60 4.681 -2.483 7.681 477 2HH2 ARG 60 1HH1 ARG 60 4.650 -1.171 8.791 478 H SER 61 H SER 61 -0.163 -7.950 11.253 479 HA SER 61 HA SER 61 -2.389 -9.576 11.607 480 1HB SER 61 1HB SER 61 -0.499 -8.335 13.639 481 2HB SER 61 2HB SER 61 -1.623 -9.656 13.981 482 HG SER 61 HG SER 61 0.290 -10.554 13.513 483 H SER 62 H SER 62 -1.903 -6.176 12.442 484 HA SER 62 HA SER 62 -4.028 -6.018 14.383 485 1HB SER 62 1HB SER 62 -2.945 -3.679 12.805 486 2HB SER 62 2HB SER 62 -3.540 -3.719 14.462 487 HG SER 62 HG SER 62 -1.660 -5.196 14.850 488 H GLN 63 H GLN 63 -4.022 -6.161 10.937 489 HA GLN 63 HA GLN 63 -6.883 -5.390 10.790 490 1HB GLN 63 1HB GLN 63 -4.619 -4.978 8.781 491 2HB GLN 63 2HB GLN 63 -6.323 -4.874 8.373 492 1HG GLN 63 1HG GLN 63 -5.872 -2.683 8.733 493 2HG GLN 63 2HG GLN 63 -6.562 -3.149 10.271 494 1HE2 GLN 63 1HE2 GLN 63 -5.360 -0.914 10.653 495 2HE2 GLN 63 2HE2 GLN 63 -3.749 -1.122 11.325 496 H ARG 64 H ARG 64 -5.368 -8.172 11.337 497 HA ARG 64 HA ARG 64 -5.548 -9.667 9.007 498 1HB ARG 64 1HB ARG 64 -4.303 -10.246 10.983 499 2HB ARG 64 2HB ARG 64 -5.770 -10.486 11.926 500 1HG ARG 64 1HG ARG 64 -5.237 -12.074 9.388 501 2HG ARG 64 2HG ARG 64 -4.475 -12.506 10.920 502 1HD ARG 64 1HD ARG 64 -6.305 -13.340 11.833 503 2HD ARG 64 2HD ARG 64 -7.335 -12.043 11.300 504 HE ARG 64 HE ARG 64 -8.040 -13.162 9.509 505 1HH1 ARG 64 2HH2 ARG 64 -5.110 -14.952 10.611 506 2HH1 ARG 64 1HH2 ARG 64 -5.489 -16.345 9.687 507 1HH2 ARG 64 2HH1 ARG 64 -8.309 -14.883 8.059 508 2HH2 ARG 64 1HH1 ARG 64 -7.409 -16.354 8.304 509 H HIS 65 H HIS 65 -8.162 -8.504 10.934 510 HA HIS 65 HA HIS 65 -10.234 -10.302 10.301 511 1HB HIS 65 1HB HIS 65 -10.550 -7.273 10.306 512 2HB HIS 65 2HB HIS 65 -11.720 -8.487 10.816 513 HD1 HIS 65 HD1 HIS 65 -9.712 -6.009 12.525 514 HD2 HIS 65 HD2 HIS 65 -10.272 -10.196 12.896 515 HE1 HIS 65 HE1 HIS 65 -8.649 -6.701 14.730 516 HE2 HIS 65 HE2 HIS 65 -8.964 -9.259 14.935 517 H LEU 66 H LEU 66 -8.464 -8.178 8.133 518 HA LEU 66 HA LEU 66 -10.541 -8.314 6.047 519 1HB LEU 66 1HB LEU 66 -7.813 -6.956 6.231 520 2HB LEU 66 2HB LEU 66 -8.737 -7.054 4.758 521 HG LEU 66 HG LEU 66 -9.037 -4.902 5.610 522 1HD1 LEU 66 1HD1 LEU 66 -10.931 -5.983 4.475 523 2HD1 LEU 66 2HD1 LEU 66 -11.623 -6.434 6.058 524 3HD1 LEU 66 3HD1 LEU 66 -11.434 -4.733 5.624 525 1HD2 LEU 66 1HD2 LEU 66 -10.014 -4.350 7.741 526 2HD2 LEU 66 2HD2 LEU 66 -10.306 -6.047 8.140 527 3HD2 LEU 66 3HD2 LEU 66 -8.643 -5.411 8.048 528 H ASN 67 H ASN 67 -7.733 -10.177 7.028 529 HA ASN 67 HA ASN 67 -7.131 -11.282 4.377 530 1HB ASN 67 1HB ASN 67 -5.256 -11.326 5.790 531 2HB ASN 67 2HB ASN 67 -6.198 -11.812 7.208 532 1HD2 ASN 67 1HD2 ASN 67 -5.744 -13.203 3.850 533 2HD2 ASN 67 2HD2 ASN 67 -5.238 -14.749 4.497 534 H ASN 68 H ASN 68 -8.991 -12.132 3.525 535 HA ASN 68 HA ASN 68 -10.306 -14.308 4.979 536 1HB ASN 68 1HB ASN 68 -12.485 -13.509 4.656 537 2HB ASN 68 2HB ASN 68 -11.620 -12.145 5.350 538 1HD2 ASN 68 1HD2 ASN 68 -10.908 -10.372 3.722 539 2HD2 ASN 68 2HD2 ASN 68 -11.949 -10.178 2.319 540 H ARG 69 H ARG 69 -11.321 -15.814 3.600 541 HA ARG 69 HA ARG 69 -9.962 -16.345 1.236 542 1HB ARG 69 1HB ARG 69 -12.476 -17.412 2.507 543 2HB ARG 69 2HB ARG 69 -12.164 -17.878 0.838 544 1HG ARG 69 1HG ARG 69 -10.039 -18.173 2.992 545 2HG ARG 69 2HG ARG 69 -11.235 -19.435 2.654 546 1HD ARG 69 1HD ARG 69 -10.532 -19.615 0.351 547 2HD ARG 69 2HD ARG 69 -9.389 -18.273 0.526 548 HE ARG 69 HE ARG 69 -8.581 -20.029 2.464 549 1HH1 ARG 69 2HH2 ARG 69 -9.066 -20.231 -1.051 550 2HH1 ARG 69 1HH2 ARG 69 -7.933 -21.504 -1.288 551 1HH2 ARG 69 2HH1 ARG 69 -6.930 -21.575 2.156 552 2HH2 ARG 69 1HH1 ARG 69 -6.690 -22.326 0.599 553 H GLY 70 H GLY 70 -13.068 -14.610 1.513 554 1HA GLY 70 1HA GLY 70 -13.742 -14.575 -1.233 555 2HA GLY 70 2HA GLY 70 -14.181 -13.332 -0.044 556 H ALA 71 H ALA 71 -11.580 -12.400 0.700 557 HA ALA 71 HA ALA 71 -11.011 -10.724 -1.596 558 1HB ALA 71 1HB ALA 71 -9.537 -11.087 1.056 559 2HB ALA 71 2HB ALA 71 -9.127 -9.878 -0.168 560 3HB ALA 71 3HB ALA 71 -10.701 -9.800 0.642 561 H GLN 72 H GLN 72 -9.387 -13.484 -0.006 562 HA GLN 72 HA GLN 72 -7.033 -13.488 -1.494 563 1HB GLN 72 1HB GLN 72 -7.643 -14.839 0.561 564 2HB GLN 72 2HB GLN 72 -8.549 -15.940 -0.463 565 1HG GLN 72 1HG GLN 72 -5.578 -15.373 -0.824 566 2HG GLN 72 2HG GLN 72 -6.224 -16.618 0.241 567 1HE2 GLN 72 1HE2 GLN 72 -4.418 -17.153 -1.884 568 2HE2 GLN 72 2HE2 GLN 72 -5.226 -18.213 -2.998 569 H GLN 73 H GLN 73 -10.197 -14.981 -2.343 570 HA GLN 73 HA GLN 73 -9.272 -16.440 -4.569 571 1HB GLN 73 1HB GLN 73 -11.469 -16.699 -3.338 572 2HB GLN 73 2HB GLN 73 -12.032 -15.196 -4.059 573 1HG GLN 73 1HG GLN 73 -12.932 -17.156 -5.225 574 2HG GLN 73 2HG GLN 73 -11.920 -16.192 -6.304 575 1HE2 GLN 73 1HE2 GLN 73 -10.977 -17.699 -7.731 576 2HE2 GLN 73 2HE2 GLN 73 -10.026 -19.049 -7.136 577 H LYS 74 H LYS 74 -10.778 -13.196 -4.397 578 HA LYS 74 HA LYS 74 -10.603 -12.562 -7.158 579 1HB LYS 74 1HB LYS 74 -11.890 -11.398 -5.193 580 2HB LYS 74 2HB LYS 74 -10.352 -10.710 -4.718 581 1HG LYS 74 1HG LYS 74 -11.293 -8.977 -5.951 582 2HG LYS 74 2HG LYS 74 -10.264 -9.747 -7.168 583 1HD LYS 74 1HD LYS 74 -12.308 -11.097 -7.888 584 2HD LYS 74 2HD LYS 74 -13.252 -10.208 -6.706 585 1HE LYS 74 1HE LYS 74 -13.643 -9.183 -8.767 586 2HE LYS 74 2HE LYS 74 -12.643 -8.066 -7.830 587 1HZ LYS 74 1HZ LYS 74 -12.015 -8.365 -10.217 588 2HZ LYS 74 2HZ LYS 74 -10.766 -8.633 -9.190 589 3HZ LYS 74 3HZ LYS 74 -11.557 -9.898 -9.888 590 H LEU 75 H LEU 75 -8.357 -12.046 -4.443 591 HA LEU 75 HA LEU 75 -6.427 -10.519 -5.880 592 1HB LEU 75 1HB LEU 75 -6.789 -11.392 -3.212 593 2HB LEU 75 2HB LEU 75 -5.394 -12.207 -3.671 594 HG LEU 75 HG LEU 75 -5.891 -9.210 -3.812 595 1HD1 LEU 75 1HD1 LEU 75 -4.359 -9.090 -1.878 596 2HD1 LEU 75 2HD1 LEU 75 -5.770 -10.106 -1.537 597 3HD1 LEU 75 3HD1 LEU 75 -4.209 -10.863 -1.889 598 1HD2 LEU 75 1HD2 LEU 75 -3.604 -8.787 -4.297 599 2HD2 LEU 75 2HD2 LEU 75 -3.170 -10.497 -4.201 600 3HD2 LEU 75 3HD2 LEU 75 -4.190 -9.915 -5.527 601 H ALA 76 H ALA 76 -6.803 -14.063 -5.331 602 HA ALA 76 HA ALA 76 -4.270 -14.804 -6.397 603 1HB ALA 76 1HB ALA 76 -5.232 -17.079 -6.435 604 2HB ALA 76 2HB ALA 76 -5.588 -16.264 -4.902 605 3HB ALA 76 3HB ALA 76 -6.854 -16.420 -6.140 606 H GLU 77 H GLU 77 -7.549 -14.718 -7.852 607 HA GLU 77 HA GLU 77 -6.780 -15.519 -10.455 608 1HB GLU 77 1HB GLU 77 -9.174 -15.040 -9.389 609 2HB GLU 77 2HB GLU 77 -8.884 -13.376 -9.857 610 1HG GLU 77 1HG GLU 77 -8.512 -14.075 -12.214 611 2HG GLU 77 2HG GLU 77 -8.792 -15.760 -11.758 612 H ALA 78 H ALA 78 -6.541 -12.361 -8.829 613 HA ALA 78 HA ALA 78 -5.893 -10.880 -11.225 614 1HB ALA 78 1HB ALA 78 -5.445 -9.034 -9.749 615 2HB ALA 78 2HB ALA 78 -6.928 -9.817 -9.220 616 3HB ALA 78 3HB ALA 78 -5.427 -10.092 -8.321 617 H LEU 79 H LEU 79 -3.856 -12.165 -8.499 618 HA LEU 79 HA LEU 79 -1.415 -11.252 -9.713 619 1HB LEU 79 1HB LEU 79 -2.184 -12.766 -7.356 620 2HB LEU 79 2HB LEU 79 -0.810 -13.545 -8.121 621 HG LEU 79 HG LEU 79 -0.843 -10.542 -7.578 622 1HD1 LEU 79 1HD1 LEU 79 0.446 -11.000 -5.531 623 2HD1 LEU 79 2HD1 LEU 79 -1.218 -11.582 -5.456 624 3HD1 LEU 79 3HD1 LEU 79 0.114 -12.740 -5.721 625 1HD2 LEU 79 1HD2 LEU 79 0.881 -11.569 -9.186 626 2HD2 LEU 79 2HD2 LEU 79 1.554 -10.691 -7.800 627 3HD2 LEU 79 3HD2 LEU 79 1.517 -12.460 -7.801 628 H SER 80 H SER 80 -3.282 -14.243 -10.047 629 HA SER 80 HA SER 80 -1.423 -15.712 -11.676 630 1HB SER 80 1HB SER 80 -4.479 -15.733 -11.538 631 2HB SER 80 2HB SER 80 -3.511 -16.973 -12.311 632 HG SER 80 HG SER 80 -3.714 -16.273 -9.596 633 H MET 81 H MET 81 -4.024 -13.334 -12.448 634 HA MET 81 HA MET 81 -3.843 -13.495 -15.306 635 1HB MET 81 1HB MET 81 -5.804 -12.629 -14.125 636 2HB MET 81 2HB MET 81 -4.846 -11.416 -13.324 637 1HG MET 81 1HG MET 81 -4.421 -10.804 -16.002 638 2HG MET 81 2HG MET 81 -6.075 -11.390 -15.975 639 1HE MET 81 1HE MET 81 -4.400 -7.661 -13.771 640 2HE MET 81 2HE MET 81 -3.908 -9.284 -13.257 641 3HE MET 81 3HE MET 81 -3.513 -8.713 -14.893 642 H LEU 82 H LEU 82 -2.351 -11.439 -12.823 643 HA LEU 82 HA LEU 82 -1.039 -9.556 -14.478 644 1HB LEU 82 1HB LEU 82 -1.289 -9.116 -12.168 645 2HB LEU 82 2HB LEU 82 -0.530 -10.634 -11.706 646 HG LEU 82 HG LEU 82 1.660 -9.836 -12.517 647 1HD1 LEU 82 1HD1 LEU 82 0.205 -7.189 -12.979 648 2HD1 LEU 82 2HD1 LEU 82 1.966 -7.422 -13.018 649 3HD1 LEU 82 3HD1 LEU 82 0.952 -8.198 -14.233 650 1HD2 LEU 82 1HD2 LEU 82 0.804 -9.516 -10.146 651 2HD2 LEU 82 2HD2 LEU 82 2.096 -8.446 -10.667 652 3HD2 LEU 82 3HD2 LEU 82 0.430 -7.838 -10.586 653 H LYS 83 H LYS 83 0.198 -12.606 -13.009 654 HA LYS 83 HA LYS 83 2.614 -12.384 -14.649 655 1HB LYS 83 1HB LYS 83 2.177 -13.553 -12.239 656 2HB LYS 83 2HB LYS 83 1.833 -14.941 -13.255 657 1HG LYS 83 1HG LYS 83 4.090 -15.184 -12.736 658 2HG LYS 83 2HG LYS 83 4.144 -14.513 -14.356 659 1HD LYS 83 1HD LYS 83 4.589 -13.015 -11.736 660 2HD LYS 83 2HD LYS 83 5.835 -13.550 -12.874 661 1HE LYS 83 1HE LYS 83 4.857 -12.036 -14.608 662 2HE LYS 83 2HE LYS 83 3.756 -11.399 -13.377 663 1HZ LYS 83 1HZ LYS 83 5.648 -9.994 -13.587 664 2HZ LYS 83 2HZ LYS 83 5.695 -10.695 -12.120 665 3HZ LYS 83 3HZ LYS 83 6.712 -11.212 -13.314 666 H GLY 84 H GLY 84 -0.485 -13.833 -15.124 667 1HA GLY 84 1HA GLY 84 -1.409 -14.626 -17.058 668 2HA GLY 84 2HA GLY 84 0.175 -14.690 -17.842 669 H SER 85 H SER 85 1.044 -16.012 -15.095 670 HA SER 85 HA SER 85 0.494 -18.813 -15.893 671 1HB SER 85 1HB SER 85 2.779 -19.239 -15.050 672 2HB SER 85 2HB SER 85 2.795 -18.027 -16.336 673 HG SER 85 HG SER 85 3.052 -17.632 -13.539 674 H THR 86 H THR 86 1.062 -20.302 -13.892 675 HA THR 86 HA THR 86 -0.678 -19.694 -11.730 676 HB THR 86 HB THR 86 1.618 -21.695 -11.911 677 HG1 THR 86 1HG THR 86 -0.969 -21.664 -13.055 678 1HG2 THR 86 1HG2 THR 86 0.518 -21.625 -9.688 679 2HG2 THR 86 2HG2 THR 86 -1.058 -21.922 -10.474 680 3HG2 THR 86 3HG2 THR 86 0.223 -23.150 -10.537 681 H VAL 87 H VAL 87 -0.227 -18.716 -9.794 682 HA VAL 87 HA VAL 87 2.562 -18.237 -8.837 683 HB VAL 87 HB VAL 87 0.223 -16.238 -8.913 684 1HG1 VAL 87 1HG1 VAL 87 1.891 -14.669 -7.939 685 2HG1 VAL 87 2HG1 VAL 87 1.549 -16.023 -6.861 686 3HG1 VAL 87 3HG1 VAL 87 3.048 -16.014 -7.826 687 1HG2 VAL 87 1HG2 VAL 87 2.879 -16.148 -10.414 688 2HG2 VAL 87 2HG2 VAL 87 1.258 -16.293 -11.130 689 3HG2 VAL 87 3HG2 VAL 87 1.708 -14.810 -10.295 690 H GLU 88 H GLU 88 2.659 -18.862 -6.633 691 HA GLU 88 HA GLU 88 0.123 -19.884 -5.490 692 1HB GLU 88 1HB GLU 88 3.043 -20.124 -4.820 693 2HB GLU 88 2HB GLU 88 1.844 -20.275 -3.512 694 1HG GLU 88 1HG GLU 88 0.716 -22.053 -4.775 695 2HG GLU 88 2HG GLU 88 1.925 -21.909 -6.060 696 H LEU 89 H LEU 89 -0.944 -17.842 -5.454 697 HA LEU 89 HA LEU 89 0.223 -15.697 -3.844 698 1HB LEU 89 1HB LEU 89 -1.294 -14.900 -5.456 699 2HB LEU 89 2HB LEU 89 -2.554 -16.051 -4.966 700 HG LEU 89 HG LEU 89 -2.859 -14.961 -2.820 701 1HD1 LEU 89 1HD1 LEU 89 -1.841 -13.094 -1.972 702 2HD1 LEU 89 2HD1 LEU 89 -0.461 -14.052 -2.447 703 3HD1 LEU 89 3HD1 LEU 89 -0.962 -12.698 -3.464 704 1HD2 LEU 89 1HD2 LEU 89 -4.195 -13.989 -4.329 705 2HD2 LEU 89 2HD2 LEU 89 -3.360 -12.579 -3.669 706 3HD2 LEU 89 3HD2 LEU 89 -2.884 -13.195 -5.254 707 H THR 90 H THR 90 0.418 -15.903 -1.725 708 HA THR 90 HA THR 90 -1.566 -17.507 -0.199 709 HB THR 90 HB THR 90 1.336 -17.181 0.574 710 HG1 THR 90 1HG THR 90 1.244 -18.137 -1.561 711 1HG2 THR 90 1HG2 THR 90 0.946 -19.359 1.688 712 2HG2 THR 90 2HG2 THR 90 -0.156 -18.103 2.261 713 3HG2 THR 90 3HG2 THR 90 -0.726 -19.350 1.112 714 H ILE 91 H ILE 91 -1.862 -16.460 2.037 715 HA ILE 91 HA ILE 91 -0.800 -13.712 2.210 716 HB ILE 91 HB ILE 91 -3.577 -14.493 3.106 717 1HG1 ILE 91 1HG1 ILE 91 -3.104 -12.695 0.708 718 2HG1 ILE 91 2HG1 ILE 91 -3.450 -14.429 0.554 719 1HG2 ILE 91 1HG2 ILE 91 -2.206 -11.771 2.817 720 2HG2 ILE 91 2HG2 ILE 91 -3.839 -12.012 3.434 721 3HG2 ILE 91 3HG2 ILE 91 -2.471 -12.626 4.350 722 1HD1 ILE 91 1HD1 ILE 91 -5.295 -12.406 1.838 723 2HD1 ILE 91 2HD1 ILE 91 -5.466 -13.187 0.262 724 3HD1 ILE 91 3HD1 ILE 91 -5.559 -14.168 1.739 725 H VAL 92 H VAL 92 -0.054 -13.341 4.273 726 HA VAL 92 HA VAL 92 -0.522 -15.390 6.377 727 HB VAL 92 HB VAL 92 1.810 -15.357 7.048 728 1HG1 VAL 92 1HG1 VAL 92 1.088 -17.042 5.345 729 2HG1 VAL 92 2HG1 VAL 92 1.722 -15.984 4.064 730 3HG1 VAL 92 3HG1 VAL 92 2.811 -16.658 5.293 731 1HG2 VAL 92 1HG2 VAL 92 3.604 -14.392 5.644 732 2HG2 VAL 92 2HG2 VAL 92 2.386 -13.600 4.621 733 3HG2 VAL 92 3HG2 VAL 92 2.565 -13.152 6.339 734 H GLU 93 H GLU 93 -0.410 -14.475 8.532 735 HA GLU 93 HA GLU 93 -0.963 -11.562 8.498 736 1HB GLU 93 1HB GLU 93 -1.368 -11.793 10.934 737 2HB GLU 93 2HB GLU 93 -2.503 -12.574 9.865 738 1HG GLU 93 1HG GLU 93 -0.413 -14.446 10.788 739 2HG GLU 93 2HG GLU 93 -1.283 -13.685 12.117 740 H ASP 94 H ASP 94 0.446 -10.076 9.484 741 HA ASP 94 HA ASP 94 3.181 -11.010 10.187 742 1HB ASP 94 1HB ASP 94 2.844 -10.578 7.732 743 2HB ASP 94 2HB ASP 94 2.357 -8.927 8.112 744 H ASP 95 H ASP 95 4.036 -9.796 11.937 745 HA ASP 95 HA ASP 95 2.327 -7.468 12.737 746 1HB ASP 95 1HB ASP 95 2.955 -9.804 14.136 747 2HB ASP 95 2HB ASP 95 4.033 -8.614 14.831 748 H ASN 96 H ASN 96 5.515 -8.303 11.790 749 HA ASN 96 HA ASN 96 6.952 -6.314 13.287 750 1HB ASN 96 1HB ASN 96 8.056 -8.306 12.533 751 2HB ASN 96 2HB ASN 96 7.646 -7.971 10.859 752 1HD2 ASN 96 1HD2 ASN 96 9.929 -8.106 10.314 753 2HD2 ASN 96 2HD2 ASN 96 11.053 -6.847 10.733 754 HA PRO 97 HA PRO 97 5.520 -3.120 10.492 755 1HB PRO 97 1HB PRO 97 6.423 -0.870 11.764 756 2HB PRO 97 2HB PRO 97 5.053 -1.850 12.363 757 1HG PRO 97 1HG PRO 97 7.955 -1.975 13.234 758 2HG PRO 97 2HG PRO 97 6.483 -1.883 14.253 759 1HD PRO 97 1HD PRO 97 7.715 -4.255 13.715 760 2HD PRO 97 2HD PRO 97 5.942 -4.117 13.861 761 H ALA 98 H ALA 98 8.717 -4.161 10.721 762 HA ALA 98 HA ALA 98 10.163 -1.987 9.692 763 1HB ALA 98 1HB ALA 98 10.741 -4.962 9.377 764 2HB ALA 98 2HB ALA 98 11.911 -3.644 9.201 765 3HB ALA 98 3HB ALA 98 11.192 -3.967 10.790 766 H VAL 99 H VAL 99 8.002 -3.970 8.067 767 HA VAL 99 HA VAL 99 9.140 -3.121 5.420 768 HB VAL 99 HB VAL 99 7.196 -5.386 5.740 769 1HG1 VAL 99 1HG1 VAL 99 9.123 -4.521 3.523 770 2HG1 VAL 99 2HG1 VAL 99 8.066 -5.926 3.453 771 3HG1 VAL 99 3HG1 VAL 99 7.356 -4.317 3.488 772 1HG2 VAL 99 1HG2 VAL 99 9.218 -6.079 6.933 773 2HG2 VAL 99 2HG2 VAL 99 9.161 -6.898 5.376 774 3HG2 VAL 99 3HG2 VAL 99 10.240 -5.502 5.595 775 H ARG 100 H ARG 100 7.983 -1.955 4.069 776 HA ARG 100 HA ARG 100 5.807 -0.378 5.264 777 1HB ARG 100 1HB ARG 100 7.422 -0.068 2.691 778 2HB ARG 100 2HB ARG 100 6.260 1.081 3.324 779 1HG ARG 100 1HG ARG 100 8.399 1.905 3.702 780 2HG ARG 100 2HG ARG 100 7.746 1.500 5.277 781 1HD ARG 100 1HD ARG 100 9.270 -0.333 5.540 782 2HD ARG 100 2HD ARG 100 9.687 -0.326 3.816 783 HE ARG 100 HE ARG 100 10.614 1.979 4.224 784 1HH1 ARG 100 2HH2 ARG 100 10.930 -0.591 6.739 785 2HH1 ARG 100 1HH2 ARG 100 12.332 0.149 7.423 786 1HH2 ARG 100 2HH1 ARG 100 12.534 2.788 5.117 787 2HH2 ARG 100 1HH1 ARG 100 13.146 2.177 6.609 788 H THR 101 H THR 101 3.689 -0.930 4.758 789 HA THR 101 HA THR 101 3.173 -2.727 2.474 790 HB THR 101 HB THR 101 0.862 -2.667 3.347 791 HG1 THR 101 1HG THR 101 0.433 -1.509 5.243 792 1HG2 THR 101 1HG2 THR 101 1.184 -3.786 5.480 793 2HG2 THR 101 2HG2 THR 101 2.486 -4.261 4.381 794 3HG2 THR 101 3HG2 THR 101 2.802 -3.086 5.667 795 HA PRO 102 HA PRO 102 2.068 0.669 -0.250 796 1HB PRO 102 1HB PRO 102 -0.680 -0.497 -0.477 797 2HB PRO 102 2HB PRO 102 0.388 0.070 -1.787 798 1HG PRO 102 1HG PRO 102 0.076 -2.574 -1.256 799 2HG PRO 102 2HG PRO 102 1.690 -1.918 -1.657 800 1HD PRO 102 1HD PRO 102 0.558 -2.637 1.037 801 2HD PRO 102 2HD PRO 102 2.229 -2.846 0.423 802 H LEU 103 H LEU 103 -0.355 -0.234 2.253 803 HA LEU 103 HA LEU 103 -1.766 2.248 2.323 804 1HB LEU 103 1HB LEU 103 -2.521 0.098 3.454 805 2HB LEU 103 2HB LEU 103 -1.230 0.320 4.625 806 HG LEU 103 HG LEU 103 -2.337 2.671 5.063 807 1HD1 LEU 103 1HD1 LEU 103 -3.870 2.651 3.110 808 2HD1 LEU 103 2HD1 LEU 103 -4.670 1.198 3.752 809 3HD1 LEU 103 3HD1 LEU 103 -4.762 2.736 4.632 810 1HD2 LEU 103 1HD2 LEU 103 -3.723 0.096 5.876 811 2HD2 LEU 103 2HD2 LEU 103 -2.330 0.846 6.686 812 3HD2 LEU 103 3HD2 LEU 103 -3.892 1.671 6.686 813 H GLU 104 H GLU 104 0.987 1.011 4.343 814 HA GLU 104 HA GLU 104 1.231 3.498 5.763 815 1HB GLU 104 1HB GLU 104 3.170 1.172 5.444 816 2HB GLU 104 2HB GLU 104 3.392 2.527 6.558 817 1HG GLU 104 1HG GLU 104 1.044 0.570 6.634 818 2HG GLU 104 2HG GLU 104 2.461 0.512 7.672 819 H TRP 105 H TRP 105 2.803 2.211 2.793 820 HA TRP 105 HA TRP 105 4.633 4.341 2.415 821 1HB TRP 105 1HB TRP 105 3.145 2.497 0.526 822 2HB TRP 105 2HB TRP 105 4.013 3.866 -0.117 823 HD1 TRP 105 HD TRP 105 4.539 0.377 0.312 824 HE1 TRP 105 1HE TRP 105 7.008 -0.217 0.045 825 HE3 TRP 105 3HE TRP 105 6.595 5.022 1.000 826 HZ2 TRP 105 2HZ TRP 105 9.515 1.166 -0.119 827 HZ3 TRP 105 3HZ TRP 105 9.025 5.376 0.664 828 HH2 TRP 105 HH TRP 105 10.493 3.450 0.046 829 H ARG 106 H ARG 106 1.141 4.090 1.467 830 HA ARG 106 HA ARG 106 1.037 6.582 0.143 831 1HB ARG 106 1HB ARG 106 -0.753 4.653 0.450 832 2HB ARG 106 2HB ARG 106 -1.176 5.455 1.922 833 1HG ARG 106 1HG ARG 106 -2.774 6.204 0.516 834 2HG ARG 106 2HG ARG 106 -1.666 7.566 0.504 835 1HD ARG 106 1HD ARG 106 -1.139 7.294 -1.706 836 2HD ARG 106 2HD ARG 106 -1.160 5.538 -1.628 837 HE ARG 106 HE ARG 106 -3.385 7.358 -2.159 838 1HH1 ARG 106 2HH2 ARG 106 -2.344 3.933 -1.842 839 2HH1 ARG 106 1HH2 ARG 106 -3.848 3.328 -2.436 840 1HH2 ARG 106 2HH1 ARG 106 -5.444 6.455 -2.747 841 2HH2 ARG 106 1HH1 ARG 106 -5.679 4.743 -2.752 842 H GLN 107 H GLN 107 1.072 5.891 3.591 843 HA GLN 107 HA GLN 107 0.360 8.659 4.350 844 1HB GLN 107 1HB GLN 107 -0.155 6.700 5.838 845 2HB GLN 107 2HB GLN 107 1.571 6.448 6.071 846 1HG GLN 107 1HG GLN 107 0.690 7.650 7.960 847 2HG GLN 107 2HG GLN 107 1.741 8.746 7.069 848 1HE2 GLN 107 1HE2 GLN 107 0.823 10.859 6.857 849 2HE2 GLN 107 2HE2 GLN 107 -0.881 11.147 6.817 850 H ALA 108 H ALA 108 3.319 6.596 4.275 851 HA ALA 108 HA ALA 108 5.074 8.522 5.362 852 1HB ALA 108 1HB ALA 108 6.819 7.045 4.431 853 2HB ALA 108 2HB ALA 108 5.569 6.127 5.301 854 3HB ALA 108 3HB ALA 108 5.590 6.147 3.519 855 H ILE 109 H ILE 109 4.319 7.715 1.973 856 HA ILE 109 HA ILE 109 6.238 9.400 0.724 857 HB ILE 109 HB ILE 109 3.534 8.375 -0.197 858 1HG1 ILE 109 1HG1 ILE 109 5.415 6.703 0.407 859 2HG1 ILE 109 2HG1 ILE 109 4.530 6.502 -1.076 860 1HG2 ILE 109 1HG2 ILE 109 5.719 9.657 -1.876 861 2HG2 ILE 109 2HG2 ILE 109 4.312 8.766 -2.527 862 3HG2 ILE 109 3HG2 ILE 109 4.088 10.248 -1.615 863 1HD1 ILE 109 1HD1 ILE 109 6.875 6.047 -1.378 864 2HD1 ILE 109 2HD1 ILE 109 6.436 7.460 -2.338 865 3HD1 ILE 109 3HD1 ILE 109 7.301 7.673 -0.786 866 H TYR 110 H TYR 110 2.994 10.045 2.023 867 HA TYR 110 HA TYR 110 2.672 12.704 0.925 868 1HB TYR 110 1HB TYR 110 1.017 10.988 2.048 869 2HB TYR 110 2HB TYR 110 1.493 11.786 3.537 870 HD1 TYR 110 HD1 TYR 110 1.613 14.714 2.777 871 HD2 TYR 110 HD2 TYR 110 -1.108 11.570 1.578 872 HE1 TYR 110 HE1 TYR 110 -0.088 16.386 2.249 873 HE2 TYR 110 HE2 TYR 110 -2.830 13.254 1.047 874 HH TYR 110 HH TYR 110 -3.391 15.471 1.100 875 H GLU 111 H GLU 111 3.941 11.340 4.005 876 HA GLU 111 HA GLU 111 4.594 13.945 5.011 877 1HB GLU 111 1HB GLU 111 4.317 11.585 6.266 878 2HB GLU 111 2HB GLU 111 6.067 11.489 5.959 879 1HG GLU 111 1HG GLU 111 6.001 14.020 6.820 880 2HG GLU 111 2HG GLU 111 4.452 13.556 7.474 881 H GLU 112 H GLU 112 6.457 11.558 2.980 882 HA GLU 112 HA GLU 112 8.939 12.826 3.074 883 1HB GLU 112 1HB GLU 112 7.460 11.143 1.034 884 2HB GLU 112 2HB GLU 112 9.091 11.654 0.801 885 1HG GLU 112 1HG GLU 112 8.450 10.208 3.364 886 2HG GLU 112 2HG GLU 112 8.482 9.297 1.858 887 H LYS 113 H LYS 113 5.995 13.488 1.093 888 HA LYS 113 HA LYS 113 7.254 15.473 -0.569 889 1HB LYS 113 1HB LYS 113 4.732 14.267 -0.458 890 2HB LYS 113 2HB LYS 113 4.376 15.929 -0.021 891 1HG LYS 113 1HG LYS 113 5.922 15.043 -2.506 892 2HG LYS 113 2HG LYS 113 4.196 15.393 -2.467 893 1HD LYS 113 1HD LYS 113 4.631 17.741 -1.893 894 2HD LYS 113 2HD LYS 113 6.383 17.429 -1.874 895 1HE LYS 113 1HE LYS 113 6.336 16.784 -4.238 896 2HE LYS 113 2HE LYS 113 4.581 17.023 -4.298 897 1HZ LYS 113 1HZ LYS 113 4.918 19.365 -3.930 898 2HZ LYS 113 2HZ LYS 113 6.545 19.185 -3.760 899 3HZ LYS 113 3HZ LYS 113 5.865 18.869 -5.191 900 H LEU 114 H LEU 114 6.195 15.509 2.724 901 HA LEU 114 HA LEU 114 6.255 18.474 2.924 902 1HB LEU 114 1HB LEU 114 5.397 16.261 4.813 903 2HB LEU 114 2HB LEU 114 5.661 17.894 5.379 904 HG LEU 114 HG LEU 114 3.755 17.257 3.084 905 1HD1 LEU 114 1HD1 LEU 114 3.126 17.570 6.042 906 2HD1 LEU 114 2HD1 LEU 114 1.935 17.415 4.725 907 3HD1 LEU 114 3HD1 LEU 114 3.023 16.063 5.079 908 1HD2 LEU 114 1HD2 LEU 114 4.040 19.701 4.901 909 2HD2 LEU 114 2HD2 LEU 114 4.433 19.627 3.170 910 3HD2 LEU 114 3HD2 LEU 114 2.761 19.460 3.693 911 H ALA 115 H ALA 115 8.101 15.558 3.683 912 HA ALA 115 HA ALA 115 10.107 16.757 5.277 913 1HB ALA 115 1HB ALA 115 11.382 14.783 4.852 914 2HB ALA 115 2HB ALA 115 9.695 14.253 4.872 915 3HB ALA 115 3HB ALA 115 10.549 14.454 3.328 916 H GLN 116 H GLN 116 9.721 16.324 1.731 917 HA GLN 116 HA GLN 116 12.224 17.731 1.214 918 1HB GLN 116 1HB GLN 116 11.618 17.828 -1.123 919 2HB GLN 116 2HB GLN 116 11.557 16.212 -0.430 920 1HG GLN 116 1HG GLN 116 9.645 16.065 -1.585 921 2HG GLN 116 2HG GLN 116 8.960 16.866 -0.192 922 1HE2 GLN 116 1HE2 GLN 116 9.461 17.008 -3.564 923 2HE2 GLN 116 2HE2 GLN 116 8.968 18.658 -3.855 924 H ALA 117 H ALA 117 9.014 18.875 1.952 925 HA ALA 117 HA ALA 117 9.497 21.575 1.016 926 1HB ALA 117 1HB ALA 117 7.589 22.223 2.306 927 2HB ALA 117 2HB ALA 117 7.206 20.644 1.602 928 3HB ALA 117 3HB ALA 117 7.657 20.780 3.316 929 H ARG 118 H ARG 118 10.012 19.825 4.100 930 HA ARG 118 HA ARG 118 11.208 22.026 5.512 931 1HB ARG 118 1HB ARG 118 10.264 19.930 6.513 932 2HB ARG 118 2HB ARG 118 11.659 19.028 5.941 933 1HG ARG 118 1HG ARG 118 11.917 21.444 7.775 934 2HG ARG 118 2HG ARG 118 11.563 19.821 8.373 935 1HD ARG 118 1HD ARG 118 13.685 18.977 7.357 936 2HD ARG 118 2HD ARG 118 14.084 20.628 6.879 937 HE ARG 118 HE ARG 118 14.575 21.201 9.045 938 1HH1 ARG 118 2HH2 ARG 118 13.015 17.952 9.166 939 2HH1 ARG 118 1HH2 ARG 118 13.414 17.792 10.866 940 1HH2 ARG 118 2HH1 ARG 118 15.029 20.830 11.223 941 2HH2 ARG 118 1HH1 ARG 118 14.500 19.361 12.008 942 H GLU 119 H GLU 119 12.600 19.412 3.455 943 HA GLU 119 HA GLU 119 15.290 20.314 3.857 944 1HB GLU 119 1HB GLU 119 14.371 18.027 3.061 945 2HB GLU 119 2HB GLU 119 14.439 18.711 1.435 946 1HG GLU 119 1HG GLU 119 16.855 19.113 1.661 947 2HG GLU 119 2HG GLU 119 16.803 18.724 3.379 948 H SER 120 H SER 120 12.728 21.374 1.668 949 HA SER 120 HA SER 120 14.368 22.841 -0.102 950 1HB SER 120 1HB SER 120 11.516 23.363 0.824 951 2HB SER 120 2HB SER 120 12.326 24.269 -0.449 952 HG SER 120 HG SER 120 11.909 21.442 -0.392 953 H ILE 121 H ILE 121 13.477 23.491 3.279 954 HA ILE 121 HA ILE 121 14.263 26.266 3.280 955 HB ILE 121 HB ILE 121 14.391 24.291 5.594 956 1HG1 ILE 121 1HG1 ILE 121 12.116 24.146 4.692 957 2HG1 ILE 121 2HG1 ILE 121 12.142 24.919 6.256 958 1HG2 ILE 121 1HG2 ILE 121 14.178 27.316 5.505 959 2HG2 ILE 121 2HG2 ILE 121 13.945 26.336 6.967 960 3HG2 ILE 121 3HG2 ILE 121 15.505 26.324 6.141 961 1HD1 ILE 121 1HD1 ILE 121 11.862 27.140 5.177 962 2HD1 ILE 121 2HD1 ILE 121 11.886 26.349 3.578 963 3HD1 ILE 121 3HD1 ILE 121 10.581 26.006 4.729 964 H ILE 122 H ILE 122 15.943 23.139 3.578 965 HA ILE 122 HA ILE 122 18.524 24.282 4.266 966 HB ILE 122 HB ILE 122 17.473 21.518 3.621 967 1HG1 ILE 122 1HG1 ILE 122 18.602 20.997 5.774 968 2HG1 ILE 122 2HG1 ILE 122 19.063 22.688 5.940 969 1HG2 ILE 122 1HG2 ILE 122 20.412 22.253 3.700 970 2HG2 ILE 122 2HG2 ILE 122 19.762 20.600 3.824 971 3HG2 ILE 122 3HG2 ILE 122 19.526 21.522 2.344 972 1HD1 ILE 122 1HD1 ILE 122 17.064 21.988 7.290 973 2HD1 ILE 122 2HD1 ILE 122 16.720 23.335 6.207 974 3HD1 ILE 122 3HD1 ILE 122 16.183 21.685 5.783 975 H ALA 123 H ALA 123 16.939 23.128 1.223 976 HA ALA 123 HA ALA 123 19.138 23.712 -0.462 977 1HB ALA 123 1HB ALA 123 17.441 23.845 -2.283 978 2HB ALA 123 2HB ALA 123 17.246 22.409 -1.258 979 3HB ALA 123 3HB ALA 123 16.157 23.798 -1.068 980 H ASP 124 H ASP 124 16.581 25.849 0.821 981 HA ASP 124 HA ASP 124 17.348 28.240 -0.613 982 1HB ASP 124 1HB ASP 124 15.769 27.703 1.935 983 2HB ASP 124 2HB ASP 124 16.239 29.332 1.497 984 H ASN 125 H ASN 125 18.461 26.646 2.342 985 HA ASN 125 HA ASN 125 20.193 28.820 3.247 986 1HB ASN 125 1HB ASN 125 19.038 26.796 4.566 987 2HB ASN 125 2HB ASN 125 20.464 25.907 4.073 988 1HD2 ASN 125 1HD2 ASN 125 22.426 28.060 4.455 989 2HD2 ASN 125 2HD2 ASN 125 22.499 28.376 6.174 990 H ASN 126 H ASN 126 20.416 26.698 0.606 991 HA ASN 126 HA ASN 126 23.378 26.644 0.660 992 1HB ASN 126 1HB ASN 126 22.405 24.484 1.516 993 2HB ASN 126 2HB ASN 126 21.580 24.274 -0.030 994 1HD2 ASN 126 1HD2 ASN 126 22.740 22.620 -1.144 995 2HD2 ASN 126 2HD2 ASN 126 24.487 22.612 -1.230 996 H ILE 127 H ILE 127 22.811 24.911 -1.928 997 HA ILE 127 HA ILE 127 21.608 26.838 -3.728 998 HB ILE 127 HB ILE 127 24.383 25.795 -4.422 999 1HG1 ILE 127 1HG1 ILE 127 23.781 28.607 -3.406 1000 2HG1 ILE 127 2HG1 ILE 127 24.665 27.360 -2.522 1001 1HG2 ILE 127 1HG2 ILE 127 24.219 27.381 -6.275 1002 2HG2 ILE 127 2HG2 ILE 127 22.740 26.436 -6.256 1003 3HG2 ILE 127 3HG2 ILE 127 22.725 28.080 -5.603 1004 1HD1 ILE 127 1HD1 ILE 127 26.273 28.846 -3.438 1005 2HD1 ILE 127 2HD1 ILE 127 26.394 27.308 -4.313 1006 3HD1 ILE 127 3HD1 ILE 127 25.595 28.714 -5.066 1007 H GLN 128 H GLN 128 20.487 24.766 -2.737 1008 HA GLN 128 HA GLN 128 19.403 22.833 -3.060 1009 1HB GLN 128 1HB GLN 128 19.243 23.610 -5.439 1010 2HB GLN 128 2HB GLN 128 20.679 22.650 -5.812 1011 1HG GLN 128 1HG GLN 128 18.678 21.524 -6.501 1012 2HG GLN 128 2HG GLN 128 19.521 20.611 -5.256 1013 1HE2 GLN 128 1HE2 GLN 128 18.061 19.663 -3.835 1014 2HE2 GLN 128 2HE2 GLN 128 16.630 20.446 -3.219 Start of MODEL 9 1 1H MET 1 H MET 1 -16.815 0.972 -9.240 2 HA MET 1 HA MET 1 -19.191 -0.718 -9.022 3 1HB MET 1 1HB MET 1 -16.288 -1.601 -8.953 4 2HB MET 1 2HB MET 1 -17.712 -2.597 -8.712 5 1HG MET 1 1HG MET 1 -18.392 -1.701 -11.114 6 2HG MET 1 2HG MET 1 -16.660 -1.407 -11.256 7 1HE MET 1 1HE MET 1 -18.172 -3.252 -13.271 8 2HE MET 1 2HE MET 1 -16.391 -3.205 -13.322 9 3HE MET 1 3HE MET 1 -17.238 -4.763 -13.311 10 H LYS 2 H LYS 2 -16.516 0.819 -7.086 11 HA LYS 2 HA LYS 2 -18.318 0.388 -4.832 12 1HB LYS 2 1HB LYS 2 -16.070 -1.274 -5.061 13 2HB LYS 2 2HB LYS 2 -15.449 0.075 -4.119 14 1HG LYS 2 1HG LYS 2 -16.254 -1.619 -2.601 15 2HG LYS 2 2HG LYS 2 -17.354 -0.251 -2.493 16 1HD LYS 2 1HD LYS 2 -18.966 -1.456 -3.966 17 2HD LYS 2 2HD LYS 2 -17.807 -2.783 -4.160 18 1HE LYS 2 1HE LYS 2 -17.952 -3.328 -1.792 19 2HE LYS 2 2HE LYS 2 -18.907 -1.871 -1.472 20 1HZ LYS 2 1HZ LYS 2 -20.677 -2.742 -2.763 21 2HZ LYS 2 2HZ LYS 2 -19.805 -4.089 -3.197 22 3HZ LYS 2 3HZ LYS 2 -20.277 -3.851 -1.633 23 H ALA 3 H ALA 3 -17.930 1.918 -3.114 24 HA ALA 3 HA ALA 3 -17.470 4.514 -4.155 25 1HB ALA 3 1HB ALA 3 -18.992 4.040 -2.267 26 2HB ALA 3 2HB ALA 3 -17.602 3.589 -1.246 27 3HB ALA 3 3HB ALA 3 -17.784 5.259 -1.827 28 H LEU 4 H LEU 4 -15.827 6.029 -3.772 29 HA LEU 4 HA LEU 4 -13.272 5.161 -2.526 30 1HB LEU 4 1HB LEU 4 -13.438 4.798 -5.056 31 2HB LEU 4 2HB LEU 4 -13.300 6.545 -5.213 32 HG LEU 4 HG LEU 4 -11.362 4.878 -3.534 33 1HD1 LEU 4 1HD1 LEU 4 -9.891 4.722 -5.460 34 2HD1 LEU 4 2HD1 LEU 4 -11.435 3.905 -5.750 35 3HD1 LEU 4 3HD1 LEU 4 -11.132 5.501 -6.479 36 1HD2 LEU 4 1HD2 LEU 4 -9.737 6.675 -4.087 37 2HD2 LEU 4 2HD2 LEU 4 -11.038 7.591 -4.875 38 3HD2 LEU 4 3HD2 LEU 4 -11.086 7.258 -3.128 39 H GLU 5 H GLU 5 -14.753 6.566 -0.931 40 HA GLU 5 HA GLU 5 -13.493 9.079 -0.591 41 1HB GLU 5 1HB GLU 5 -15.698 9.278 -2.324 42 2HB GLU 5 2HB GLU 5 -16.457 9.505 -0.759 43 1HG GLU 5 1HG GLU 5 -14.096 11.060 -1.877 44 2HG GLU 5 2HG GLU 5 -15.763 11.633 -1.790 45 H HIS 6 H HIS 6 -14.069 9.823 1.533 46 HA HIS 6 HA HIS 6 -16.165 8.789 3.119 47 1HB HIS 6 1HB HIS 6 -14.563 6.778 3.195 48 2HB HIS 6 2HB HIS 6 -13.472 7.781 4.137 49 HD1 HIS 6 HD1 HIS 6 -14.602 8.636 6.624 50 HD2 HIS 6 HD2 HIS 6 -16.807 5.885 4.268 51 HE1 HIS 6 HE1 HIS 6 -16.465 7.732 8.099 52 HE2 HIS 6 HE2 HIS 6 -17.827 6.065 6.663 53 H GLU 7 H GLU 7 -15.759 11.309 2.533 54 HA GLU 7 HA GLU 7 -15.543 13.349 3.357 55 1HB GLU 7 1HB GLU 7 -16.661 12.217 5.360 56 2HB GLU 7 2HB GLU 7 -15.080 12.226 6.119 57 1HG GLU 7 1HG GLU 7 -15.038 14.774 5.734 58 2HG GLU 7 2HG GLU 7 -16.718 14.629 5.215 59 H LYS 8 H LYS 8 -13.296 12.401 2.044 60 HA LYS 8 HA LYS 8 -11.260 14.001 3.458 61 1HB LYS 8 1HB LYS 8 -9.545 12.445 3.059 62 2HB LYS 8 2HB LYS 8 -10.773 11.715 4.069 63 1HG LYS 8 1HG LYS 8 -11.515 10.299 2.209 64 2HG LYS 8 2HG LYS 8 -10.428 11.160 1.082 65 1HD LYS 8 1HD LYS 8 -8.495 10.550 2.541 66 2HD LYS 8 2HD LYS 8 -9.576 9.625 3.571 67 1HE LYS 8 1HE LYS 8 -10.013 8.041 1.746 68 2HE LYS 8 2HE LYS 8 -9.172 9.093 0.599 69 1HZ LYS 8 1HZ LYS 8 -7.662 7.427 1.185 70 2HZ LYS 8 2HZ LYS 8 -7.144 8.738 2.021 71 3HZ LYS 8 3HZ LYS 8 -7.943 7.522 2.785 72 H THR 9 H THR 9 -9.219 14.010 1.640 73 HA THR 9 HA THR 9 -10.488 14.976 -0.852 74 HB THR 9 HB THR 9 -8.200 15.941 -1.221 75 HG1 THR 9 1HG THR 9 -6.886 16.170 0.556 76 1HG2 THR 9 1HG2 THR 9 -9.605 16.872 1.327 77 2HG2 THR 9 2HG2 THR 9 -8.638 17.850 0.206 78 3HG2 THR 9 3HG2 THR 9 -10.197 17.208 -0.316 79 HA PRO 10 HA PRO 10 -8.927 10.798 -1.927 80 1HB PRO 10 1HB PRO 10 -10.604 10.209 -3.993 81 2HB PRO 10 2HB PRO 10 -11.169 10.135 -2.292 82 1HG PRO 10 1HG PRO 10 -11.379 12.519 -4.187 83 2HG PRO 10 2HG PRO 10 -12.722 11.699 -3.352 84 1HD PRO 10 1HD PRO 10 -11.609 13.872 -2.263 85 2HD PRO 10 2HD PRO 10 -11.929 12.451 -1.218 86 H GLU 11 H GLU 11 -9.210 13.814 -3.686 87 HA GLU 11 HA GLU 11 -8.008 12.918 -6.147 88 1HB GLU 11 1HB GLU 11 -8.050 15.797 -5.177 89 2HB GLU 11 2HB GLU 11 -8.040 15.139 -6.802 90 1HG GLU 11 1HG GLU 11 -10.222 15.773 -6.687 91 2HG GLU 11 2HG GLU 11 -10.391 14.114 -6.129 92 H LEU 12 H LEU 12 -6.832 14.875 -3.353 93 HA LEU 12 HA LEU 12 -4.097 14.836 -4.238 94 1HB LEU 12 1HB LEU 12 -4.844 16.524 -2.647 95 2HB LEU 12 2HB LEU 12 -5.147 15.289 -1.420 96 HG LEU 12 HG LEU 12 -2.420 15.072 -2.590 97 1HD1 LEU 12 1HD1 LEU 12 -2.989 17.624 -1.117 98 2HD1 LEU 12 2HD1 LEU 12 -1.413 17.013 -1.652 99 3HD1 LEU 12 3HD1 LEU 12 -2.622 17.472 -2.858 100 1HD2 LEU 12 1HD2 LEU 12 -3.308 15.523 0.280 101 2HD2 LEU 12 2HD2 LEU 12 -3.134 13.930 -0.489 102 3HD2 LEU 12 3HD2 LEU 12 -1.718 14.967 -0.267 103 H ALA 13 H ALA 13 -6.055 12.644 -2.169 104 HA ALA 13 HA ALA 13 -3.802 11.075 -1.334 105 1HB ALA 13 1HB ALA 13 -6.732 10.335 -1.733 106 2HB ALA 13 2HB ALA 13 -5.549 9.316 -0.888 107 3HB ALA 13 3HB ALA 13 -5.993 10.915 -0.231 108 H ALA 14 H ALA 14 -5.613 11.154 -4.321 109 HA ALA 14 HA ALA 14 -4.350 8.698 -5.355 110 1HB ALA 14 1HB ALA 14 -6.578 9.201 -6.067 111 2HB ALA 14 2HB ALA 14 -6.065 10.774 -6.744 112 3HB ALA 14 3HB ALA 14 -5.477 9.254 -7.453 113 H LYS 15 H LYS 15 -3.622 12.150 -5.328 114 HA LYS 15 HA LYS 15 -1.558 12.004 -7.434 115 1HB LYS 15 1HB LYS 15 -2.432 14.084 -5.423 116 2HB LYS 15 2HB LYS 15 -0.808 14.183 -6.035 117 1HG LYS 15 1HG LYS 15 -2.100 15.577 -7.415 118 2HG LYS 15 2HG LYS 15 -1.701 14.161 -8.370 119 1HD LYS 15 1HD LYS 15 -4.066 13.296 -7.894 120 2HD LYS 15 2HD LYS 15 -4.377 14.871 -7.113 121 1HE LYS 15 1HE LYS 15 -3.474 15.901 -9.318 122 2HE LYS 15 2HE LYS 15 -3.674 14.296 -10.025 123 1HZ LYS 15 1HZ LYS 15 -5.799 15.962 -8.809 124 2HZ LYS 15 2HZ LYS 15 -5.584 15.731 -10.397 125 3HZ LYS 15 3HZ LYS 15 -6.076 14.480 -9.441 126 H LEU 16 H LEU 16 -1.617 12.103 -3.864 127 HA LEU 16 HA LEU 16 1.083 11.530 -3.341 128 1HB LEU 16 1HB LEU 16 -0.604 12.409 -1.780 129 2HB LEU 16 2HB LEU 16 -1.531 10.912 -1.910 130 HG LEU 16 HG LEU 16 0.267 9.668 -0.787 131 1HD1 LEU 16 1HD1 LEU 16 2.202 11.120 -1.443 132 2HD1 LEU 16 2HD1 LEU 16 1.608 12.368 -0.331 133 3HD1 LEU 16 3HD1 LEU 16 2.127 10.783 0.287 134 1HD2 LEU 16 1HD2 LEU 16 -0.722 12.195 0.622 135 2HD2 LEU 16 2HD2 LEU 16 -1.617 10.669 0.455 136 3HD2 LEU 16 3HD2 LEU 16 -0.136 10.739 1.427 137 H ALA 17 H ALA 17 -1.683 9.345 -4.082 138 HA ALA 17 HA ALA 17 -0.351 6.916 -3.624 139 1HB ALA 17 1HB ALA 17 -2.807 7.106 -4.136 140 2HB ALA 17 2HB ALA 17 -2.389 7.443 -5.825 141 3HB ALA 17 3HB ALA 17 -1.966 5.888 -5.110 142 H ALA 18 H ALA 18 -0.259 9.088 -6.509 143 HA ALA 18 HA ALA 18 0.916 7.195 -8.282 144 1HB ALA 18 1HB ALA 18 1.377 9.112 -9.684 145 2HB ALA 18 2HB ALA 18 -0.211 9.352 -8.935 146 3HB ALA 18 3HB ALA 18 1.200 10.229 -8.322 147 H GLU 19 H GLU 19 2.297 9.674 -6.131 148 HA GLU 19 HA GLU 19 5.035 9.280 -6.696 149 1HB GLU 19 1HB GLU 19 3.629 10.045 -4.103 150 2HB GLU 19 2HB GLU 19 5.370 10.249 -4.406 151 1HG GLU 19 1HG GLU 19 4.907 11.828 -6.183 152 2HG GLU 19 2HG GLU 19 3.165 11.579 -6.039 153 H ALA 20 H ALA 20 2.932 7.742 -4.258 154 HA ALA 20 HA ALA 20 4.907 5.983 -3.192 155 1HB ALA 20 1HB ALA 20 3.045 5.040 -1.975 156 2HB ALA 20 2HB ALA 20 2.742 6.775 -2.103 157 3HB ALA 20 3HB ALA 20 1.872 5.644 -3.164 158 H ILE 21 H ILE 21 2.710 5.664 -5.948 159 HA ILE 21 HA ILE 21 3.188 2.849 -6.399 160 HB ILE 21 HB ILE 21 1.781 5.151 -7.778 161 1HG1 ILE 21 1HG1 ILE 21 0.937 2.348 -6.987 162 2HG1 ILE 21 2HG1 ILE 21 0.791 3.739 -5.933 163 1HG2 ILE 21 1HG2 ILE 21 2.820 4.194 -9.693 164 2HG2 ILE 21 2HG2 ILE 21 2.422 2.551 -9.178 165 3HG2 ILE 21 3HG2 ILE 21 1.145 3.673 -9.696 166 1HD1 ILE 21 1HD1 ILE 21 -0.754 4.807 -7.585 167 2HD1 ILE 21 2HD1 ILE 21 -0.715 3.295 -8.534 168 3HD1 ILE 21 3HD1 ILE 21 -1.349 3.287 -6.886 169 H GLU 22 H GLU 22 4.694 5.887 -7.563 170 HA GLU 22 HA GLU 22 6.380 4.591 -9.482 171 1HB GLU 22 1HB GLU 22 5.982 7.051 -9.370 172 2HB GLU 22 2HB GLU 22 6.838 7.116 -7.838 173 1HG GLU 22 1HG GLU 22 8.295 7.867 -9.606 174 2HG GLU 22 2HG GLU 22 8.922 6.374 -8.917 175 H ARG 23 H ARG 23 6.630 5.137 -5.936 176 HA ARG 23 HA ARG 23 9.276 3.948 -5.818 177 1HB ARG 23 1HB ARG 23 8.454 5.626 -4.130 178 2HB ARG 23 2HB ARG 23 7.361 4.395 -3.478 179 1HG ARG 23 1HG ARG 23 9.170 3.034 -2.726 180 2HG ARG 23 2HG ARG 23 10.292 3.760 -3.876 181 1HD ARG 23 1HD ARG 23 9.871 5.967 -2.446 182 2HD ARG 23 2HD ARG 23 9.395 4.811 -1.213 183 HE ARG 23 HE ARG 23 11.621 4.042 -1.070 184 1HH1 ARG 23 2HH2 ARG 23 11.342 6.489 -3.651 185 2HH1 ARG 23 1HH2 ARG 23 12.957 6.312 -4.191 186 1HH2 ARG 23 2HH1 ARG 23 13.799 3.767 -1.857 187 2HH2 ARG 23 1HH1 ARG 23 14.372 4.816 -3.111 188 H ASP 24 H ASP 24 5.992 2.720 -4.962 189 HA ASP 24 HA ASP 24 7.212 0.172 -4.207 190 1HB ASP 24 1HB ASP 24 5.442 1.312 -2.814 191 2HB ASP 24 2HB ASP 24 4.294 0.872 -4.048 192 HA PRO 25 HA PRO 25 6.139 -1.421 -8.262 193 1HB PRO 25 1HB PRO 25 7.114 -3.991 -7.982 194 2HB PRO 25 2HB PRO 25 8.115 -2.548 -8.318 195 1HG PRO 25 1HG PRO 25 7.576 -3.877 -5.645 196 2HG PRO 25 2HG PRO 25 9.153 -3.357 -6.324 197 1HD PRO 25 1HD PRO 25 7.781 -1.824 -4.562 198 2HD PRO 25 2HD PRO 25 8.674 -1.078 -5.928 199 H TRP 26 H TRP 26 5.197 -2.944 -5.147 200 HA TRP 26 HA TRP 26 3.157 -4.590 -6.402 201 1HB TRP 26 1HB TRP 26 4.110 -5.362 -4.368 202 2HB TRP 26 2HB TRP 26 3.762 -3.860 -3.540 203 HD1 TRP 26 HD TRP 26 1.936 -4.101 -1.901 204 HE1 TRP 26 1HE TRP 26 -0.203 -5.459 -1.592 205 HE3 TRP 26 3HE TRP 26 2.057 -6.731 -6.285 206 HZ2 TRP 26 2HZ TRP 26 -1.567 -7.623 -2.991 207 HZ3 TRP 26 3HZ TRP 26 0.504 -8.621 -6.643 208 HH2 TRP 26 HH TRP 26 -1.354 -9.039 -5.037 209 H ALA 27 H ALA 27 3.150 -1.346 -4.700 210 HA ALA 27 HA ALA 27 0.355 -1.004 -4.894 211 1HB ALA 27 1HB ALA 27 1.944 0.518 -3.710 212 2HB ALA 27 2HB ALA 27 2.440 1.171 -5.274 213 3HB ALA 27 3HB ALA 27 0.766 1.376 -4.717 214 H ALA 28 H ALA 28 2.928 -0.419 -7.310 215 HA ALA 28 HA ALA 28 1.324 0.735 -9.346 216 1HB ALA 28 1HB ALA 28 3.821 0.700 -9.382 217 2HB ALA 28 2HB ALA 28 3.799 -1.054 -9.601 218 3HB ALA 28 3HB ALA 28 3.136 -0.016 -10.856 219 H GLN 29 H GLN 29 2.235 -2.643 -8.655 220 HA GLN 29 HA GLN 29 0.815 -3.858 -10.800 221 1HB GLN 29 1HB GLN 29 1.746 -4.858 -8.097 222 2HB GLN 29 2HB GLN 29 0.837 -5.898 -9.182 223 1HG GLN 29 1HG GLN 29 2.478 -5.669 -10.941 224 2HG GLN 29 2HG GLN 29 3.344 -4.437 -10.052 225 1HE2 GLN 29 1HE2 GLN 29 4.066 -7.386 -11.041 226 2HE2 GLN 29 2HE2 GLN 29 4.690 -8.120 -9.567 227 H VAL 30 H VAL 30 -0.276 -3.149 -7.430 228 HA VAL 30 HA VAL 30 -2.789 -4.426 -7.878 229 HB VAL 30 HB VAL 30 -1.865 -2.320 -5.852 230 1HG1 VAL 30 1HG1 VAL 30 -4.289 -2.057 -5.921 231 2HG1 VAL 30 2HG1 VAL 30 -4.508 -3.812 -5.841 232 3HG1 VAL 30 3HG1 VAL 30 -3.854 -2.930 -4.446 233 1HG2 VAL 30 1HG2 VAL 30 -2.493 -5.259 -5.403 234 2HG2 VAL 30 2HG2 VAL 30 -0.867 -4.634 -5.702 235 3HG2 VAL 30 3HG2 VAL 30 -1.743 -4.123 -4.261 236 H SER 31 H SER 31 -1.758 -1.097 -8.566 237 HA SER 31 HA SER 31 -4.444 -0.219 -9.266 238 1HB SER 31 1HB SER 31 -2.544 1.335 -8.677 239 2HB SER 31 2HB SER 31 -1.740 0.864 -10.189 240 HG SER 31 HG SER 31 -2.922 2.741 -10.511 241 H GLN 32 H GLN 32 -1.771 -1.892 -10.887 242 HA GLN 32 HA GLN 32 -2.673 -1.479 -13.578 243 1HB GLN 32 1HB GLN 32 -0.368 -1.962 -12.893 244 2HB GLN 32 2HB GLN 32 -0.841 -3.550 -12.309 245 1HG GLN 32 1HG GLN 32 -1.393 -4.281 -14.570 246 2HG GLN 32 2HG GLN 32 -0.901 -2.695 -15.197 247 1HE2 GLN 32 1HE2 GLN 32 0.242 -5.805 -14.766 248 2HE2 GLN 32 2HE2 GLN 32 1.963 -5.438 -14.673 249 H LEU 33 H LEU 33 -3.221 -3.956 -11.093 250 HA LEU 33 HA LEU 33 -4.967 -5.602 -12.799 251 1HB LEU 33 1HB LEU 33 -4.578 -5.636 -9.792 252 2HB LEU 33 2HB LEU 33 -5.336 -6.889 -10.773 253 HG LEU 33 HG LEU 33 -2.448 -6.251 -10.321 254 1HD1 LEU 33 1HD1 LEU 33 -2.296 -8.592 -9.900 255 2HD1 LEU 33 2HD1 LEU 33 -3.724 -7.994 -9.079 256 3HD1 LEU 33 3HD1 LEU 33 -3.896 -8.868 -10.623 257 1HD2 LEU 33 1HD2 LEU 33 -2.589 -6.196 -12.813 258 2HD2 LEU 33 2HD2 LEU 33 -1.795 -7.649 -12.278 259 3HD2 LEU 33 3HD2 LEU 33 -3.486 -7.730 -12.790 260 H SER 34 H SER 34 -5.348 -2.742 -11.065 261 HA SER 34 HA SER 34 -6.993 -1.623 -9.999 262 1HB SER 34 1HB SER 34 -8.427 -2.692 -12.454 263 2HB SER 34 2HB SER 34 -9.125 -1.516 -11.332 264 HG SER 34 HG SER 34 -6.848 -1.239 -12.972 265 H LEU 35 H LEU 35 -6.667 -3.458 -8.319 266 HA LEU 35 HA LEU 35 -8.764 -5.344 -7.921 267 1HB LEU 35 1HB LEU 35 -6.731 -4.105 -6.096 268 2HB LEU 35 2HB LEU 35 -8.127 -4.905 -5.385 269 HG LEU 35 HG LEU 35 -7.673 -6.994 -6.490 270 1HD1 LEU 35 1HD1 LEU 35 -6.605 -6.272 -8.564 271 2HD1 LEU 35 2HD1 LEU 35 -5.223 -5.615 -7.645 272 3HD1 LEU 35 3HD1 LEU 35 -5.530 -7.366 -7.690 273 1HD2 LEU 35 1HD2 LEU 35 -5.134 -5.935 -5.185 274 2HD2 LEU 35 2HD2 LEU 35 -6.569 -6.485 -4.304 275 3HD2 LEU 35 3HD2 LEU 35 -5.647 -7.625 -5.294 276 HA PRO 36 HA PRO 36 -12.239 -2.942 -7.035 277 1HB PRO 36 1HB PRO 36 -13.813 -4.596 -5.494 278 2HB PRO 36 2HB PRO 36 -13.406 -4.913 -7.193 279 1HG PRO 36 1HG PRO 36 -11.970 -6.003 -4.759 280 2HG PRO 36 2HG PRO 36 -12.578 -6.907 -6.184 281 1HD PRO 36 1HD PRO 36 -10.009 -6.175 -6.027 282 2HD PRO 36 2HD PRO 36 -10.895 -6.071 -7.569 283 H LYS 37 H LYS 37 -12.671 -4.266 -3.744 284 HA LYS 37 HA LYS 37 -11.417 -1.859 -2.621 285 1HB LYS 37 1HB LYS 37 -13.973 -1.518 -3.261 286 2HB LYS 37 2HB LYS 37 -14.232 -2.336 -1.728 287 1HG LYS 37 1HG LYS 37 -14.204 -0.009 -1.215 288 2HG LYS 37 2HG LYS 37 -12.631 -0.622 -0.679 289 1HD LYS 37 1HD LYS 37 -11.742 0.107 -2.992 290 2HD LYS 37 2HD LYS 37 -13.272 0.951 -3.219 291 1HE LYS 37 1HE LYS 37 -12.765 2.508 -1.506 292 2HE LYS 37 2HE LYS 37 -11.543 1.445 -0.776 293 1HZ LYS 37 1HZ LYS 37 -10.140 1.761 -2.655 294 2HZ LYS 37 2HZ LYS 37 -11.241 2.655 -3.450 295 3HZ LYS 37 3HZ LYS 37 -10.549 3.244 -2.061 296 H LEU 38 H LEU 38 -13.415 -4.731 -1.576 297 HA LEU 38 HA LEU 38 -11.956 -4.796 0.925 298 1HB LEU 38 1HB LEU 38 -14.085 -5.923 0.833 299 2HB LEU 38 2HB LEU 38 -13.557 -6.944 -0.511 300 HG LEU 38 HG LEU 38 -11.918 -8.078 0.940 301 1HD1 LEU 38 1HD1 LEU 38 -11.335 -6.304 2.550 302 2HD1 LEU 38 2HD1 LEU 38 -12.994 -6.318 3.189 303 3HD1 LEU 38 3HD1 LEU 38 -11.934 -7.731 3.392 304 1HD2 LEU 38 1HD2 LEU 38 -14.179 -8.968 0.773 305 2HD2 LEU 38 2HD2 LEU 38 -13.525 -9.231 2.401 306 3HD2 LEU 38 3HD2 LEU 38 -14.718 -7.940 2.116 307 H VAL 39 H VAL 39 -11.679 -6.632 -2.147 308 HA VAL 39 HA VAL 39 -9.356 -8.093 -1.366 309 HB VAL 39 HB VAL 39 -10.180 -7.300 -4.184 310 1HG1 VAL 39 1HG1 VAL 39 -8.676 -9.753 -3.196 311 2HG1 VAL 39 2HG1 VAL 39 -9.109 -9.390 -4.884 312 3HG1 VAL 39 3HG1 VAL 39 -7.957 -8.368 -4.033 313 1HG2 VAL 39 1HG2 VAL 39 -11.504 -9.369 -4.291 314 2HG2 VAL 39 2HG2 VAL 39 -11.150 -9.700 -2.586 315 3HG2 VAL 39 3HG2 VAL 39 -12.150 -8.310 -3.055 316 H GLU 40 H GLU 40 -9.804 -4.928 -2.948 317 HA GLU 40 HA GLU 40 -7.067 -4.281 -3.458 318 1HB GLU 40 1HB GLU 40 -8.917 -2.914 -4.353 319 2HB GLU 40 2HB GLU 40 -9.422 -2.505 -2.714 320 1HG GLU 40 1HG GLU 40 -7.283 -1.350 -2.310 321 2HG GLU 40 2HG GLU 40 -6.762 -1.734 -3.952 322 H GLN 41 H GLN 41 -9.155 -3.620 -0.563 323 HA GLN 41 HA GLN 41 -7.029 -2.418 0.831 324 1HB GLN 41 1HB GLN 41 -9.494 -2.153 1.279 325 2HB GLN 41 2HB GLN 41 -9.469 -3.733 2.101 326 1HG GLN 41 1HG GLN 41 -7.771 -2.867 3.674 327 2HG GLN 41 2HG GLN 41 -7.676 -1.353 2.768 328 1HE2 GLN 41 1HE2 GLN 41 -11.001 -1.958 2.809 329 2HE2 GLN 41 2HE2 GLN 41 -11.317 -1.103 4.321 330 H VAL 42 H VAL 42 -7.945 -5.887 0.604 331 HA VAL 42 HA VAL 42 -6.142 -6.757 2.688 332 HB VAL 42 HB VAL 42 -7.246 -8.156 0.210 333 1HG1 VAL 42 1HG1 VAL 42 -5.519 -9.379 2.413 334 2HG1 VAL 42 2HG1 VAL 42 -6.412 -10.288 1.170 335 3HG1 VAL 42 3HG1 VAL 42 -5.074 -9.237 0.711 336 1HG2 VAL 42 1HG2 VAL 42 -7.738 -8.411 3.195 337 2HG2 VAL 42 2HG2 VAL 42 -8.815 -7.607 2.032 338 3HG2 VAL 42 3HG2 VAL 42 -8.557 -9.354 1.925 339 H ALA 43 H ALA 43 -5.738 -6.528 -0.883 340 HA ALA 43 HA ALA 43 -3.016 -7.248 -0.972 341 1HB ALA 43 1HB ALA 43 -4.668 -5.374 -2.727 342 2HB ALA 43 2HB ALA 43 -3.052 -5.943 -3.134 343 3HB ALA 43 3HB ALA 43 -4.379 -7.113 -2.977 344 H LEU 44 H LEU 44 -4.553 -4.086 -0.384 345 HA LEU 44 HA LEU 44 -2.011 -2.777 -0.361 346 1HB LEU 44 1HB LEU 44 -4.768 -1.766 0.383 347 2HB LEU 44 2HB LEU 44 -3.336 -0.753 0.408 348 HG LEU 44 HG LEU 44 -4.530 -2.084 -2.054 349 1HD1 LEU 44 1HD1 LEU 44 -5.076 0.204 -2.719 350 2HD1 LEU 44 2HD1 LEU 44 -5.741 -0.116 -1.110 351 3HD1 LEU 44 3HD1 LEU 44 -4.269 0.853 -1.277 352 1HD2 LEU 44 1HD2 LEU 44 -2.961 -0.769 -3.383 353 2HD2 LEU 44 2HD2 LEU 44 -2.109 -0.264 -1.916 354 3HD2 LEU 44 3HD2 LEU 44 -2.131 -1.986 -2.419 355 H ASN 45 H ASN 45 -3.984 -4.271 2.190 356 HA ASN 45 HA ASN 45 -2.524 -2.780 4.300 357 1HB ASN 45 1HB ASN 45 -4.788 -4.810 4.393 358 2HB ASN 45 2HB ASN 45 -3.896 -4.320 5.819 359 1HD2 ASN 45 1HD2 ASN 45 -4.965 -2.291 3.074 360 2HD2 ASN 45 2HD2 ASN 45 -5.797 -1.110 4.100 361 H ALA 46 H ALA 46 -1.421 -4.934 2.229 362 HA ALA 46 HA ALA 46 0.239 -6.312 4.199 363 1HB ALA 46 1HB ALA 46 -1.396 -8.007 3.360 364 2HB ALA 46 2HB ALA 46 -1.144 -7.447 1.711 365 3HB ALA 46 3HB ALA 46 0.162 -8.289 2.569 366 H TRP 47 H TRP 47 2.281 -6.953 3.306 367 HA TRP 47 HA TRP 47 3.136 -5.305 0.962 368 1HB TRP 47 1HB TRP 47 5.389 -5.453 1.820 369 2HB TRP 47 2HB TRP 47 4.332 -4.590 2.912 370 HD1 TRP 47 HD TRP 47 3.867 -5.636 5.303 371 HE1 TRP 47 1HE TRP 47 5.119 -7.336 6.703 372 HE3 TRP 47 3HE TRP 47 6.728 -7.741 1.608 373 HZ2 TRP 47 2HZ TRP 47 7.234 -9.366 6.277 374 HZ3 TRP 47 3HZ TRP 47 8.354 -9.525 2.174 375 HH2 TRP 47 HH TRP 47 8.555 -10.367 4.479 376 H LYS 48 H LYS 48 3.918 -6.431 -0.723 377 HA LYS 48 HA LYS 48 3.169 -9.273 -0.741 378 1HB LYS 48 1HB LYS 48 2.372 -7.659 -2.472 379 2HB LYS 48 2HB LYS 48 4.007 -7.267 -2.899 380 1HG LYS 48 1HG LYS 48 3.905 -10.050 -3.249 381 2HG LYS 48 2HG LYS 48 2.303 -9.508 -3.719 382 1HD LYS 48 1HD LYS 48 3.286 -9.280 -5.745 383 2HD LYS 48 2HD LYS 48 3.757 -7.698 -5.147 384 1HE LYS 48 1HE LYS 48 5.517 -10.139 -4.798 385 2HE LYS 48 2HE LYS 48 5.509 -9.210 -6.305 386 1HZ LYS 48 1HZ LYS 48 6.193 -7.274 -5.110 387 2HZ LYS 48 2HZ LYS 48 6.229 -8.092 -3.657 388 3HZ LYS 48 3HZ LYS 48 7.260 -8.468 -4.869 389 H GLU 49 H GLU 49 4.760 -10.684 -0.081 390 HA GLU 49 HA GLU 49 7.556 -10.057 -0.768 391 1HB GLU 49 1HB GLU 49 6.937 -11.121 1.476 392 2HB GLU 49 2HB GLU 49 6.390 -12.533 0.593 393 1HG GLU 49 1HG GLU 49 8.634 -12.878 1.495 394 2HG GLU 49 2HG GLU 49 8.680 -12.935 -0.256 395 H GLU 50 H GLU 50 8.694 -11.610 -2.181 396 HA GLU 50 HA GLU 50 6.941 -13.281 -3.917 397 1HB GLU 50 1HB GLU 50 7.238 -11.095 -4.918 398 2HB GLU 50 2HB GLU 50 8.984 -11.247 -4.778 399 1HG GLU 50 1HG GLU 50 9.009 -13.015 -6.454 400 2HG GLU 50 2HG GLU 50 7.246 -13.088 -6.453 401 H SER 51 H SER 51 7.688 -15.237 -3.793 402 HA SER 51 HA SER 51 10.330 -15.867 -2.646 403 1HB SER 51 1HB SER 51 8.345 -16.621 -1.423 404 2HB SER 51 2HB SER 51 7.618 -17.234 -2.903 405 HG SER 51 HG SER 51 10.048 -18.286 -1.904 406 H ASP 52 H ASP 52 11.022 -18.058 -3.800 407 HA ASP 52 HA ASP 52 11.855 -17.645 -6.379 408 1HB ASP 52 1HB ASP 52 12.572 -19.464 -4.837 409 2HB ASP 52 2HB ASP 52 11.057 -20.313 -5.140 410 H ASN 53 H ASN 53 8.864 -19.398 -5.459 411 HA ASN 53 HA ASN 53 7.786 -18.886 -8.201 412 1HB ASN 53 1HB ASN 53 8.344 -21.446 -6.803 413 2HB ASN 53 2HB ASN 53 6.735 -21.325 -7.495 414 1HD2 ASN 53 1HD2 ASN 53 10.261 -21.314 -8.354 415 2HD2 ASN 53 2HD2 ASN 53 9.920 -21.547 -10.047 416 H ALA 54 H ALA 54 7.182 -17.767 -5.162 417 HA ALA 54 HA ALA 54 4.249 -18.160 -5.418 418 1HB ALA 54 1HB ALA 54 4.188 -18.524 -2.937 419 2HB ALA 54 2HB ALA 54 5.114 -19.815 -3.729 420 3HB ALA 54 3HB ALA 54 5.939 -18.513 -2.869 421 H VAL 55 H VAL 55 3.104 -16.472 -4.052 422 HA VAL 55 HA VAL 55 4.785 -14.050 -3.630 423 HB VAL 55 HB VAL 55 2.250 -14.001 -5.311 424 1HG1 VAL 55 1HG1 VAL 55 2.687 -11.936 -4.036 425 2HG1 VAL 55 2HG1 VAL 55 4.349 -11.890 -4.670 426 3HG1 VAL 55 3HG1 VAL 55 2.975 -11.660 -5.763 427 1HG2 VAL 55 1HG2 VAL 55 3.718 -13.384 -7.223 428 2HG2 VAL 55 2HG2 VAL 55 5.146 -13.667 -6.213 429 3HG2 VAL 55 3HG2 VAL 55 4.101 -15.011 -6.664 430 H CYS 56 H CYS 56 4.522 -13.891 -1.467 431 HA CYS 56 HA CYS 56 1.902 -14.699 -0.301 432 1HB CYS 56 1HB CYS 56 4.651 -14.485 0.973 433 2HB CYS 56 2HB CYS 56 3.168 -15.010 1.792 434 HG CYS 56 HG CYS 56 4.656 -17.092 1.287 435 H LEU 57 H LEU 57 0.674 -13.214 0.688 436 HA LEU 57 HA LEU 57 1.681 -10.420 0.778 437 1HB LEU 57 1HB LEU 57 -1.023 -11.700 0.501 438 2HB LEU 57 2HB LEU 57 -0.946 -10.099 1.241 439 HG LEU 57 HG LEU 57 0.528 -10.688 -1.352 440 1HD1 LEU 57 1HD1 LEU 57 -2.264 -9.511 -1.200 441 2HD1 LEU 57 2HD1 LEU 57 -1.286 -9.879 -2.649 442 3HD1 LEU 57 3HD1 LEU 57 -1.909 -11.186 -1.659 443 1HD2 LEU 57 1HD2 LEU 57 1.003 -8.566 0.046 444 2HD2 LEU 57 2HD2 LEU 57 0.517 -8.332 -1.627 445 3HD2 LEU 57 3HD2 LEU 57 -0.652 -8.068 -0.333 446 H HIS 58 H HIS 58 2.623 -9.895 2.540 447 HA HIS 58 HA HIS 58 1.895 -11.136 5.155 448 1HB HIS 58 1HB HIS 58 4.019 -9.162 4.301 449 2HB HIS 58 2HB HIS 58 3.816 -9.717 5.964 450 HD1 HIS 58 HD1 HIS 58 5.677 -11.509 6.521 451 HD2 HIS 58 HD2 HIS 58 4.433 -11.434 2.467 452 HE1 HIS 58 HE1 HIS 58 7.076 -13.214 5.270 453 HE2 HIS 58 HE2 HIS 58 6.265 -13.313 2.877 454 H LEU 59 H LEU 59 -0.027 -10.336 5.840 455 HA LEU 59 HA LEU 59 -0.817 -7.537 5.408 456 1HB LEU 59 1HB LEU 59 -2.258 -9.679 5.115 457 2HB LEU 59 2HB LEU 59 -2.190 -9.815 6.857 458 HG LEU 59 HG LEU 59 -3.138 -7.195 6.536 459 1HD1 LEU 59 1HD1 LEU 59 -4.390 -8.934 4.370 460 2HD1 LEU 59 2HD1 LEU 59 -4.983 -7.342 4.897 461 3HD1 LEU 59 3HD1 LEU 59 -3.416 -7.474 4.106 462 1HD2 LEU 59 1HD2 LEU 59 -4.207 -8.498 8.119 463 2HD2 LEU 59 2HD2 LEU 59 -5.463 -8.436 6.868 464 3HD2 LEU 59 3HD2 LEU 59 -4.414 -9.869 7.051 465 H ARG 60 H ARG 60 -1.195 -6.050 7.091 466 HA ARG 60 HA ARG 60 0.329 -6.300 9.528 467 1HB ARG 60 1HB ARG 60 -2.168 -4.648 8.979 468 2HB ARG 60 2HB ARG 60 -1.135 -4.437 10.364 469 1HG ARG 60 1HG ARG 60 -0.123 -3.996 7.519 470 2HG ARG 60 2HG ARG 60 -0.986 -2.775 8.448 471 1HD ARG 60 1HD ARG 60 0.843 -3.457 10.308 472 2HD ARG 60 2HD ARG 60 1.778 -3.851 8.855 473 HE ARG 60 HE ARG 60 0.539 -1.272 8.617 474 1HH1 ARG 60 2HH2 ARG 60 3.150 -2.834 10.403 475 2HH1 ARG 60 1HH2 ARG 60 4.014 -1.364 10.762 476 1HH2 ARG 60 2HH1 ARG 60 1.474 0.742 9.403 477 2HH2 ARG 60 1HH1 ARG 60 2.910 0.671 10.368 478 H SER 61 H SER 61 -0.190 -7.703 11.286 479 HA SER 61 HA SER 61 -2.583 -9.188 11.395 480 1HB SER 61 1HB SER 61 -0.845 -8.313 13.716 481 2HB SER 61 2HB SER 61 -1.956 -9.670 13.713 482 HG SER 61 HG SER 61 0.458 -9.931 13.268 483 H SER 62 H SER 62 -1.876 -5.901 12.491 484 HA SER 62 HA SER 62 -4.131 -5.612 14.234 485 1HB SER 62 1HB SER 62 -2.467 -3.538 12.754 486 2HB SER 62 2HB SER 62 -3.634 -3.201 14.052 487 HG SER 62 HG SER 62 -1.276 -4.832 14.221 488 H GLN 63 H GLN 63 -3.901 -5.676 10.781 489 HA GLN 63 HA GLN 63 -6.672 -4.616 10.476 490 1HB GLN 63 1HB GLN 63 -4.313 -4.435 8.602 491 2HB GLN 63 2HB GLN 63 -5.974 -4.215 8.091 492 1HG GLN 63 1HG GLN 63 -5.029 -2.045 8.524 493 2HG GLN 63 2HG GLN 63 -6.320 -2.380 9.670 494 1HE2 GLN 63 1HE2 GLN 63 -5.727 -1.295 11.581 495 2HE2 GLN 63 2HE2 GLN 63 -4.095 -1.327 12.251 496 H ARG 64 H ARG 64 -5.616 -7.387 11.197 497 HA ARG 64 HA ARG 64 -6.071 -9.214 9.113 498 1HB ARG 64 1HB ARG 64 -6.492 -10.851 10.851 499 2HB ARG 64 2HB ARG 64 -5.134 -9.821 11.287 500 1HG ARG 64 1HG ARG 64 -6.685 -8.474 12.778 501 2HG ARG 64 2HG ARG 64 -7.995 -9.584 12.383 502 1HD ARG 64 1HD ARG 64 -5.352 -10.475 13.595 503 2HD ARG 64 2HD ARG 64 -6.756 -10.044 14.560 504 HE ARG 64 HE ARG 64 -6.374 -12.404 12.858 505 1HH1 ARG 64 2HH2 ARG 64 -8.691 -10.658 14.979 506 2HH1 ARG 64 1HH2 ARG 64 -9.888 -11.906 14.825 507 1HH2 ARG 64 2HH1 ARG 64 -7.883 -14.076 12.874 508 2HH2 ARG 64 1HH1 ARG 64 -9.348 -13.942 13.774 509 H HIS 65 H HIS 65 -8.510 -7.203 10.677 510 HA HIS 65 HA HIS 65 -10.702 -8.928 10.193 511 1HB HIS 65 1HB HIS 65 -10.513 -6.491 11.356 512 2HB HIS 65 2HB HIS 65 -11.186 -5.991 9.810 513 HD1 HIS 65 HD1 HIS 65 -13.217 -8.680 9.568 514 HD2 HIS 65 HD2 HIS 65 -12.534 -6.145 12.901 515 HE1 HIS 65 HE1 HIS 65 -15.171 -9.009 11.171 516 HE2 HIS 65 HE2 HIS 65 -14.722 -7.491 13.223 517 H LEU 66 H LEU 66 -8.749 -7.127 7.817 518 HA LEU 66 HA LEU 66 -10.847 -7.460 5.762 519 1HB LEU 66 1HB LEU 66 -7.915 -6.735 5.378 520 2HB LEU 66 2HB LEU 66 -9.175 -6.770 4.166 521 HG LEU 66 HG LEU 66 -9.046 -4.582 4.478 522 1HD1 LEU 66 1HD1 LEU 66 -10.939 -3.692 5.705 523 2HD1 LEU 66 2HD1 LEU 66 -11.402 -5.204 4.891 524 3HD1 LEU 66 3HD1 LEU 66 -11.096 -5.180 6.643 525 1HD2 LEU 66 1HD2 LEU 66 -7.390 -4.660 6.300 526 2HD2 LEU 66 2HD2 LEU 66 -8.578 -3.372 6.488 527 3HD2 LEU 66 3HD2 LEU 66 -8.710 -4.835 7.481 528 H ASN 67 H ASN 67 -7.914 -9.215 6.865 529 HA ASN 67 HA ASN 67 -7.705 -10.808 4.476 530 1HB ASN 67 1HB ASN 67 -5.744 -10.693 5.699 531 2HB ASN 67 2HB ASN 67 -6.524 -11.154 7.244 532 1HD2 ASN 67 1HD2 ASN 67 -5.376 -13.191 7.745 533 2HD2 ASN 67 2HD2 ASN 67 -5.303 -14.462 6.578 534 H ASN 68 H ASN 68 -9.415 -11.988 3.855 535 HA ASN 68 HA ASN 68 -10.133 -14.193 5.616 536 1HB ASN 68 1HB ASN 68 -12.352 -13.986 5.531 537 2HB ASN 68 2HB ASN 68 -11.967 -12.274 5.542 538 1HD2 ASN 68 1HD2 ASN 68 -13.475 -14.695 4.071 539 2HD2 ASN 68 2HD2 ASN 68 -14.286 -13.824 2.783 540 H ARG 69 H ARG 69 -10.648 -16.099 4.369 541 HA ARG 69 HA ARG 69 -8.983 -16.377 2.107 542 1HB ARG 69 1HB ARG 69 -9.887 -18.032 3.852 543 2HB ARG 69 2HB ARG 69 -11.292 -18.222 2.828 544 1HG ARG 69 1HG ARG 69 -10.006 -19.145 1.021 545 2HG ARG 69 2HG ARG 69 -8.472 -18.637 1.733 546 1HD ARG 69 1HD ARG 69 -10.375 -20.609 3.054 547 2HD ARG 69 2HD ARG 69 -9.009 -21.095 2.041 548 HE ARG 69 HE ARG 69 -7.723 -19.522 3.752 549 1HH1 ARG 69 2HH2 ARG 69 -9.840 -22.299 4.323 550 2HH1 ARG 69 1HH2 ARG 69 -9.385 -22.457 6.001 551 1HH2 ARG 69 2HH1 ARG 69 -7.038 -19.786 5.885 552 2HH2 ARG 69 1HH1 ARG 69 -7.731 -21.035 6.882 553 H GLY 70 H GLY 70 -12.316 -15.479 2.331 554 1HA GLY 70 1HA GLY 70 -13.240 -15.975 -0.315 555 2HA GLY 70 2HA GLY 70 -13.838 -14.691 0.749 556 H ALA 71 H ALA 71 -11.779 -12.944 1.063 557 HA ALA 71 HA ALA 71 -11.629 -11.600 -1.422 558 1HB ALA 71 1HB ALA 71 -10.013 -10.125 -0.240 559 2HB ALA 71 2HB ALA 71 -11.434 -10.468 0.769 560 3HB ALA 71 3HB ALA 71 -9.899 -11.306 1.082 561 H GLN 72 H GLN 72 -9.300 -13.780 0.203 562 HA GLN 72 HA GLN 72 -7.107 -13.471 -1.501 563 1HB GLN 72 1HB GLN 72 -7.197 -14.793 0.608 564 2HB GLN 72 2HB GLN 72 -8.085 -16.052 -0.248 565 1HG GLN 72 1HG GLN 72 -6.163 -16.438 -1.763 566 2HG GLN 72 2HG GLN 72 -5.247 -15.173 -0.928 567 1HE2 GLN 72 1HE2 GLN 72 -3.875 -17.577 -0.867 568 2HE2 GLN 72 2HE2 GLN 72 -4.177 -18.348 0.676 569 H GLN 73 H GLN 73 -10.147 -15.218 -2.130 570 HA GLN 73 HA GLN 73 -9.112 -16.912 -4.164 571 1HB GLN 73 1HB GLN 73 -11.488 -16.829 -2.883 572 2HB GLN 73 2HB GLN 73 -11.975 -15.940 -4.322 573 1HG GLN 73 1HG GLN 73 -12.468 -18.280 -4.657 574 2HG GLN 73 2HG GLN 73 -11.121 -17.861 -5.724 575 1HE2 GLN 73 1HE2 GLN 73 -9.522 -19.482 -5.696 576 2HE2 GLN 73 2HE2 GLN 73 -8.951 -20.271 -4.225 577 H LYS 74 H LYS 74 -10.768 -13.725 -4.399 578 HA LYS 74 HA LYS 74 -10.379 -13.477 -7.238 579 1HB LYS 74 1HB LYS 74 -11.936 -12.192 -5.481 580 2HB LYS 74 2HB LYS 74 -10.551 -11.129 -5.326 581 1HG LYS 74 1HG LYS 74 -12.206 -11.730 -7.803 582 2HG LYS 74 2HG LYS 74 -12.143 -10.231 -6.876 583 1HD LYS 74 1HD LYS 74 -9.723 -9.959 -7.618 584 2HD LYS 74 2HD LYS 74 -9.987 -11.365 -8.695 585 1HE LYS 74 1HE LYS 74 -11.914 -10.236 -9.696 586 2HE LYS 74 2HE LYS 74 -11.595 -8.797 -8.711 587 1HZ LYS 74 1HZ LYS 74 -9.669 -9.937 -10.666 588 2HZ LYS 74 2HZ LYS 74 -10.663 -8.710 -11.031 589 3HZ LYS 74 3HZ LYS 74 -9.526 -8.476 -9.909 590 H LEU 75 H LEU 75 -8.490 -12.504 -4.332 591 HA LEU 75 HA LEU 75 -6.539 -10.976 -5.700 592 1HB LEU 75 1HB LEU 75 -6.965 -11.739 -3.036 593 2HB LEU 75 2HB LEU 75 -5.553 -12.587 -3.410 594 HG LEU 75 HG LEU 75 -6.011 -9.589 -3.714 595 1HD1 LEU 75 1HD1 LEU 75 -4.377 -11.131 -1.661 596 2HD1 LEU 75 2HD1 LEU 75 -4.565 -9.365 -1.750 597 3HD1 LEU 75 3HD1 LEU 75 -5.962 -10.381 -1.387 598 1HD2 LEU 75 1HD2 LEU 75 -4.295 -10.263 -5.347 599 2HD2 LEU 75 2HD2 LEU 75 -3.611 -9.292 -4.045 600 3HD2 LEU 75 3HD2 LEU 75 -3.364 -11.046 -4.057 601 H ALA 76 H ALA 76 -6.795 -14.508 -5.197 602 HA ALA 76 HA ALA 76 -4.202 -15.179 -6.186 603 1HB ALA 76 1HB ALA 76 -5.528 -16.686 -4.734 604 2HB ALA 76 2HB ALA 76 -6.735 -16.876 -6.025 605 3HB ALA 76 3HB ALA 76 -5.082 -17.473 -6.258 606 H GLU 77 H GLU 77 -7.431 -15.068 -7.739 607 HA GLU 77 HA GLU 77 -6.540 -15.855 -10.339 608 1HB GLU 77 1HB GLU 77 -8.903 -15.777 -9.601 609 2HB GLU 77 2HB GLU 77 -8.843 -14.021 -9.492 610 1HG GLU 77 1HG GLU 77 -8.976 -13.720 -11.762 611 2HG GLU 77 2HG GLU 77 -7.948 -15.108 -12.118 612 H ALA 78 H ALA 78 -6.726 -12.684 -8.725 613 HA ALA 78 HA ALA 78 -5.962 -11.110 -10.970 614 1HB ALA 78 1HB ALA 78 -7.078 -10.291 -8.862 615 2HB ALA 78 2HB ALA 78 -5.520 -10.463 -8.018 616 3HB ALA 78 3HB ALA 78 -5.699 -9.323 -9.365 617 H LEU 79 H LEU 79 -3.969 -12.378 -8.227 618 HA LEU 79 HA LEU 79 -1.499 -11.474 -9.314 619 1HB LEU 79 1HB LEU 79 -2.361 -13.123 -7.047 620 2HB LEU 79 2HB LEU 79 -0.928 -13.809 -7.788 621 HG LEU 79 HG LEU 79 -1.148 -10.864 -7.077 622 1HD1 LEU 79 1HD1 LEU 79 0.206 -11.378 -5.065 623 2HD1 LEU 79 2HD1 LEU 79 -1.428 -12.051 -5.032 624 3HD1 LEU 79 3HD1 LEU 79 -0.043 -13.115 -5.374 625 1HD2 LEU 79 1HD2 LEU 79 0.662 -11.629 -8.744 626 2HD2 LEU 79 2HD2 LEU 79 1.286 -10.859 -7.277 627 3HD2 LEU 79 3HD2 LEU 79 1.330 -12.622 -7.456 628 H SER 80 H SER 80 -3.372 -14.438 -9.887 629 HA SER 80 HA SER 80 -1.325 -15.798 -11.376 630 1HB SER 80 1HB SER 80 -4.364 -15.978 -11.482 631 2HB SER 80 2HB SER 80 -3.265 -17.068 -12.312 632 HG SER 80 HG SER 80 -3.599 -16.627 -9.542 633 H MET 81 H MET 81 -3.879 -13.438 -12.287 634 HA MET 81 HA MET 81 -3.349 -13.526 -15.090 635 1HB MET 81 1HB MET 81 -5.349 -12.468 -13.661 636 2HB MET 81 2HB MET 81 -4.340 -11.021 -13.695 637 1HG MET 81 1HG MET 81 -5.779 -10.855 -15.583 638 2HG MET 81 2HG MET 81 -4.212 -11.340 -16.232 639 1HE MET 81 1HE MET 81 -4.883 -12.270 -18.429 640 2HE MET 81 2HE MET 81 -6.255 -13.341 -18.751 641 3HE MET 81 3HE MET 81 -6.546 -11.695 -18.186 642 H LEU 82 H LEU 82 -2.106 -11.596 -12.414 643 HA LEU 82 HA LEU 82 -0.568 -9.690 -13.842 644 1HB LEU 82 1HB LEU 82 -1.177 -9.518 -11.491 645 2HB LEU 82 2HB LEU 82 -0.219 -10.912 -11.083 646 HG LEU 82 HG LEU 82 1.844 -9.818 -11.446 647 1HD1 LEU 82 1HD1 LEU 82 2.111 -7.511 -12.147 648 2HD1 LEU 82 2HD1 LEU 82 1.275 -8.370 -13.421 649 3HD1 LEU 82 3HD1 LEU 82 0.370 -7.293 -12.345 650 1HD2 LEU 82 1HD2 LEU 82 1.699 -8.194 -9.661 651 2HD2 LEU 82 2HD2 LEU 82 -0.023 -7.894 -9.994 652 3HD2 LEU 82 3HD2 LEU 82 0.514 -9.443 -9.326 653 H LYS 83 H LYS 83 0.431 -12.787 -12.334 654 HA LYS 83 HA LYS 83 3.125 -12.606 -13.468 655 1HB LYS 83 1HB LYS 83 2.126 -13.750 -11.240 656 2HB LYS 83 2HB LYS 83 1.973 -15.133 -12.319 657 1HG LYS 83 1HG LYS 83 4.050 -15.471 -11.332 658 2HG LYS 83 2HG LYS 83 4.512 -14.702 -12.852 659 1HD LYS 83 1HD LYS 83 4.697 -12.497 -11.646 660 2HD LYS 83 2HD LYS 83 4.125 -13.276 -10.166 661 1HE LYS 83 1HE LYS 83 6.454 -13.138 -9.888 662 2HE LYS 83 2HE LYS 83 6.121 -14.832 -10.285 663 1HZ LYS 83 1HZ LYS 83 6.726 -14.197 -12.636 664 2HZ LYS 83 2HZ LYS 83 7.226 -12.742 -12.055 665 3HZ LYS 83 3HZ LYS 83 7.958 -14.126 -11.552 666 H GLY 84 H GLY 84 0.078 -13.748 -14.628 667 1HA GLY 84 1HA GLY 84 -0.534 -14.678 -16.620 668 2HA GLY 84 2HA GLY 84 1.167 -14.720 -17.112 669 H SER 85 H SER 85 0.745 -16.200 -14.038 670 HA SER 85 HA SER 85 0.497 -18.882 -15.175 671 1HB SER 85 1HB SER 85 2.932 -18.067 -15.317 672 2HB SER 85 2HB SER 85 2.949 -18.144 -13.547 673 HG SER 85 HG SER 85 3.616 -20.067 -14.871 674 H THR 86 H THR 86 1.195 -20.389 -13.088 675 HA THR 86 HA THR 86 -1.081 -19.918 -11.274 676 HB THR 86 HB THR 86 0.857 -22.217 -11.515 677 HG1 THR 86 1HG THR 86 -1.703 -22.217 -12.686 678 1HG2 THR 86 1HG2 THR 86 -1.994 -22.195 -10.432 679 2HG2 THR 86 2HG2 THR 86 -0.933 -23.613 -10.584 680 3HG2 THR 86 3HG2 THR 86 -0.511 -22.310 -9.466 681 H VAL 87 H VAL 87 -0.494 -18.382 -9.889 682 HA VAL 87 HA VAL 87 2.119 -18.302 -8.468 683 HB VAL 87 HB VAL 87 -0.371 -16.514 -8.450 684 1HG1 VAL 87 1HG1 VAL 87 0.663 -16.272 -6.274 685 2HG1 VAL 87 2HG1 VAL 87 2.285 -16.231 -6.995 686 3HG1 VAL 87 3HG1 VAL 87 1.150 -14.887 -7.245 687 1HG2 VAL 87 1HG2 VAL 87 2.413 -16.140 -9.635 688 2HG2 VAL 87 2HG2 VAL 87 0.904 -16.381 -10.546 689 3HG2 VAL 87 3HG2 VAL 87 1.127 -14.913 -9.589 690 H GLU 88 H GLU 88 2.435 -18.926 -6.413 691 HA GLU 88 HA GLU 88 0.240 -20.259 -4.971 692 1HB GLU 88 1HB GLU 88 3.235 -20.232 -4.935 693 2HB GLU 88 2HB GLU 88 2.425 -20.491 -3.387 694 1HG GLU 88 1HG GLU 88 1.606 -22.102 -5.817 695 2HG GLU 88 2HG GLU 88 3.055 -22.534 -4.894 696 H LEU 89 H LEU 89 -1.013 -18.421 -4.635 697 HA LEU 89 HA LEU 89 0.187 -16.141 -3.199 698 1HB LEU 89 1HB LEU 89 -1.303 -15.422 -4.865 699 2HB LEU 89 2HB LEU 89 -2.547 -16.588 -4.384 700 HG LEU 89 HG LEU 89 -2.978 -15.399 -2.296 701 1HD1 LEU 89 1HD1 LEU 89 -1.089 -13.167 -3.089 702 2HD1 LEU 89 2HD1 LEU 89 -2.091 -13.340 -1.636 703 3HD1 LEU 89 3HD1 LEU 89 -0.690 -14.364 -1.859 704 1HD2 LEU 89 1HD2 LEU 89 -3.585 -13.121 -3.318 705 2HD2 LEU 89 2HD2 LEU 89 -2.994 -13.786 -4.839 706 3HD2 LEU 89 3HD2 LEU 89 -4.317 -14.603 -3.949 707 H THR 90 H THR 90 0.358 -16.176 -1.084 708 HA THR 90 HA THR 90 -1.784 -17.513 0.520 709 HB THR 90 HB THR 90 1.156 -17.305 1.220 710 HG1 THR 90 1HG THR 90 -0.339 -19.501 0.157 711 1HG2 THR 90 1HG2 THR 90 -1.133 -18.814 2.515 712 2HG2 THR 90 2HG2 THR 90 0.591 -19.060 2.900 713 3HG2 THR 90 3HG2 THR 90 -0.145 -17.500 3.206 714 H ILE 91 H ILE 91 -2.013 -16.412 2.664 715 HA ILE 91 HA ILE 91 -1.227 -13.554 2.628 716 HB ILE 91 HB ILE 91 -3.755 -14.506 3.992 717 1HG1 ILE 91 1HG1 ILE 91 -4.176 -14.969 1.603 718 2HG1 ILE 91 2HG1 ILE 91 -5.212 -13.740 2.291 719 1HG2 ILE 91 1HG2 ILE 91 -2.660 -11.786 3.147 720 2HG2 ILE 91 2HG2 ILE 91 -4.280 -12.031 3.819 721 3HG2 ILE 91 3HG2 ILE 91 -2.846 -12.416 4.792 722 1HD1 ILE 91 1HD1 ILE 91 -2.803 -13.166 0.535 723 2HD1 ILE 91 2HD1 ILE 91 -4.499 -13.162 0.008 724 3HD1 ILE 91 3HD1 ILE 91 -3.944 -11.956 1.172 725 H VAL 92 H VAL 92 -0.138 -13.113 4.529 726 HA VAL 92 HA VAL 92 -0.288 -15.046 6.773 727 HB VAL 92 HB VAL 92 2.014 -15.128 7.146 728 1HG1 VAL 92 1HG1 VAL 92 1.886 -15.273 4.094 729 2HG1 VAL 92 2HG1 VAL 92 2.965 -16.155 5.188 730 3HG1 VAL 92 3HG1 VAL 92 1.230 -16.510 5.168 731 1HG2 VAL 92 1HG2 VAL 92 2.657 -12.772 6.662 732 2HG2 VAL 92 2HG2 VAL 92 3.748 -13.955 5.940 733 3HG2 VAL 92 3HG2 VAL 92 2.553 -13.143 4.910 734 H GLU 93 H GLU 93 0.658 -13.787 8.889 735 HA GLU 93 HA GLU 93 -0.355 -11.003 8.698 736 1HB GLU 93 1HB GLU 93 -1.247 -13.176 10.612 737 2HB GLU 93 2HB GLU 93 -1.449 -11.456 10.916 738 1HG GLU 93 1HG GLU 93 -3.331 -11.430 9.787 739 2HG GLU 93 2HG GLU 93 -2.463 -11.752 8.305 740 H ASP 94 H ASP 94 1.256 -9.696 9.222 741 HA ASP 94 HA ASP 94 2.866 -10.200 11.623 742 1HB ASP 94 1HB ASP 94 4.115 -11.127 9.598 743 2HB ASP 94 2HB ASP 94 4.210 -9.471 8.993 744 H ASP 95 H ASP 95 2.863 -8.334 12.751 745 HA ASP 95 HA ASP 95 1.345 -6.076 11.774 746 1HB ASP 95 1HB ASP 95 2.920 -6.615 14.311 747 2HB ASP 95 2HB ASP 95 2.301 -5.002 13.937 748 H ASN 96 H ASN 96 4.890 -6.446 12.514 749 HA ASN 96 HA ASN 96 5.441 -4.458 10.446 750 1HB ASN 96 1HB ASN 96 4.807 -3.065 12.478 751 2HB ASN 96 2HB ASN 96 6.283 -3.632 13.249 752 1HD2 ASN 96 1HD2 ASN 96 8.369 -3.270 11.873 753 2HD2 ASN 96 2HD2 ASN 96 8.432 -1.836 10.884 754 HA PRO 97 HA PRO 97 8.807 -7.532 11.177 755 1HB PRO 97 1HB PRO 97 9.206 -8.199 8.512 756 2HB PRO 97 2HB PRO 97 8.113 -9.036 9.632 757 1HG PRO 97 1HG PRO 97 7.443 -6.998 7.531 758 2HG PRO 97 2HG PRO 97 6.485 -8.418 8.072 759 1HD PRO 97 1HD PRO 97 5.979 -5.811 8.823 760 2HD PRO 97 2HD PRO 97 5.502 -7.246 9.775 761 H ALA 98 H ALA 98 9.083 -5.904 7.984 762 HA ALA 98 HA ALA 98 10.706 -3.708 8.987 763 1HB ALA 98 1HB ALA 98 11.985 -5.870 7.242 764 2HB ALA 98 2HB ALA 98 12.759 -4.371 7.805 765 3HB ALA 98 3HB ALA 98 12.329 -5.633 8.967 766 H VAL 99 H VAL 99 8.299 -4.544 7.005 767 HA VAL 99 HA VAL 99 9.285 -3.070 4.639 768 HB VAL 99 HB VAL 99 7.436 -5.454 4.653 769 1HG1 VAL 99 1HG1 VAL 99 8.925 -4.230 2.303 770 2HG1 VAL 99 2HG1 VAL 99 7.764 -5.544 2.246 771 3HG1 VAL 99 3HG1 VAL 99 7.216 -3.926 2.682 772 1HG2 VAL 99 1HG2 VAL 99 9.334 -6.749 3.588 773 2HG2 VAL 99 2HG2 VAL 99 10.418 -5.429 4.062 774 3HG2 VAL 99 3HG2 VAL 99 9.571 -6.390 5.295 775 H ARG 100 H ARG 100 7.828 -1.630 3.852 776 HA ARG 100 HA ARG 100 5.470 -0.943 5.540 777 1HB ARG 100 1HB ARG 100 6.944 0.418 3.242 778 2HB ARG 100 2HB ARG 100 5.340 0.928 3.710 779 1HG ARG 100 1HG ARG 100 6.244 2.322 5.156 780 2HG ARG 100 2HG ARG 100 6.713 0.960 6.161 781 1HD ARG 100 1HD ARG 100 8.459 2.022 3.889 782 2HD ARG 100 2HD ARG 100 8.493 2.709 5.516 783 HE ARG 100 HE ARG 100 8.834 -0.063 5.825 784 1HH1 ARG 100 2HH2 ARG 100 10.629 2.799 4.733 785 2HH1 ARG 100 1HH2 ARG 100 12.183 2.130 5.090 786 1HH2 ARG 100 2HH1 ARG 100 10.895 -1.050 6.079 787 2HH2 ARG 100 1HH1 ARG 100 12.323 -0.148 5.690 788 H THR 101 H THR 101 3.348 -1.112 4.690 789 HA THR 101 HA THR 101 2.967 -2.910 2.387 790 HB THR 101 HB THR 101 0.612 -2.770 3.097 791 HG1 THR 101 1HG THR 101 0.183 -1.477 5.023 792 1HG2 THR 101 1HG2 THR 101 2.141 -4.290 4.415 793 2HG2 THR 101 2HG2 THR 101 2.278 -3.019 5.642 794 3HG2 THR 101 3HG2 THR 101 0.703 -3.751 5.292 795 HA PRO 102 HA PRO 102 2.359 0.720 -0.165 796 1HB PRO 102 1HB PRO 102 0.314 0.286 -1.855 797 2HB PRO 102 2HB PRO 102 1.854 -0.652 -1.915 798 1HG PRO 102 1HG PRO 102 -0.663 -1.365 -0.490 799 2HG PRO 102 2HG PRO 102 0.200 -2.391 -1.697 800 1HD PRO 102 1HD PRO 102 0.535 -2.700 0.976 801 2HD PRO 102 2HD PRO 102 1.951 -2.829 -0.106 802 H LEU 103 H LEU 103 -0.383 -0.397 1.833 803 HA LEU 103 HA LEU 103 -1.886 2.044 1.785 804 1HB LEU 103 1HB LEU 103 -2.708 -0.140 2.782 805 2HB LEU 103 2HB LEU 103 -1.565 0.093 4.105 806 HG LEU 103 HG LEU 103 -2.850 2.461 4.293 807 1HD1 LEU 103 1HD1 LEU 103 -5.215 2.273 3.745 808 2HD1 LEU 103 2HD1 LEU 103 -4.247 2.051 2.279 809 3HD1 LEU 103 3HD1 LEU 103 -4.969 0.645 3.074 810 1HD2 LEU 103 1HD2 LEU 103 -3.916 -0.168 5.365 811 2HD2 LEU 103 2HD2 LEU 103 -2.720 0.894 6.114 812 3HD2 LEU 103 3HD2 LEU 103 -4.386 1.447 5.941 813 H GLU 104 H GLU 104 0.871 0.835 3.752 814 HA GLU 104 HA GLU 104 1.198 3.220 5.339 815 1HB GLU 104 1HB GLU 104 3.056 0.903 4.622 816 2HB GLU 104 2HB GLU 104 3.604 2.278 5.552 817 1HG GLU 104 1HG GLU 104 1.337 0.419 6.329 818 2HG GLU 104 2HG GLU 104 2.978 0.381 6.972 819 H TRP 105 H TRP 105 2.748 2.056 2.255 820 HA TRP 105 HA TRP 105 4.599 4.124 2.121 821 1HB TRP 105 1HB TRP 105 3.288 2.516 -0.042 822 2HB TRP 105 2HB TRP 105 4.421 3.787 -0.428 823 HD1 TRP 105 HD TRP 105 4.481 0.160 0.336 824 HE1 TRP 105 1HE TRP 105 6.847 -0.658 0.588 825 HE3 TRP 105 3HE TRP 105 6.794 4.706 0.787 826 HZ2 TRP 105 2HZ TRP 105 9.481 0.525 0.929 827 HZ3 TRP 105 3HZ TRP 105 9.241 4.831 1.076 828 HH2 TRP 105 HH TRP 105 10.601 2.732 1.198 829 H ARG 106 H ARG 106 1.203 4.251 0.930 830 HA ARG 106 HA ARG 106 1.403 6.874 -0.203 831 1HB ARG 106 1HB ARG 106 -0.582 5.259 -0.255 832 2HB ARG 106 2HB ARG 106 -0.983 5.839 1.355 833 1HG ARG 106 1HG ARG 106 -1.142 8.167 0.467 834 2HG ARG 106 2HG ARG 106 -0.869 7.563 -1.166 835 1HD ARG 106 1HD ARG 106 -3.206 6.608 0.554 836 2HD ARG 106 2HD ARG 106 -3.265 8.122 -0.330 837 HE ARG 106 HE ARG 106 -3.458 7.096 -2.322 838 1HH1 ARG 106 2HH2 ARG 106 -2.870 4.543 0.152 839 2HH1 ARG 106 1HH2 ARG 106 -3.140 3.265 -0.985 840 1HH2 ARG 106 2HH1 ARG 106 -3.933 5.257 -3.746 841 2HH2 ARG 106 1HH1 ARG 106 -3.485 3.682 -3.210 842 H GLN 107 H GLN 107 1.087 5.882 3.147 843 HA GLN 107 HA GLN 107 0.781 8.633 4.174 844 1HB GLN 107 1HB GLN 107 -0.174 6.549 5.275 845 2HB GLN 107 2HB GLN 107 1.471 6.068 5.688 846 1HG GLN 107 1HG GLN 107 1.743 8.176 7.000 847 2HG GLN 107 2HG GLN 107 0.055 8.584 6.639 848 1HE2 GLN 107 1HE2 GLN 107 1.811 7.467 9.176 849 2HE2 GLN 107 2HE2 GLN 107 0.716 6.244 9.789 850 H ALA 108 H ALA 108 3.399 6.202 3.924 851 HA ALA 108 HA ALA 108 5.373 7.634 5.332 852 1HB ALA 108 1HB ALA 108 5.805 5.714 3.008 853 2HB ALA 108 2HB ALA 108 6.966 6.148 4.270 854 3HB ALA 108 3HB ALA 108 5.519 5.214 4.697 855 H ILE 109 H ILE 109 4.495 7.630 1.855 856 HA ILE 109 HA ILE 109 6.559 9.404 1.016 857 HB ILE 109 HB ILE 109 3.901 8.541 -0.149 858 1HG1 ILE 109 1HG1 ILE 109 5.974 6.911 0.244 859 2HG1 ILE 109 2HG1 ILE 109 4.956 6.806 -1.161 860 1HG2 ILE 109 1HG2 ILE 109 6.042 10.128 -1.599 861 2HG2 ILE 109 2HG2 ILE 109 4.695 9.237 -2.356 862 3HG2 ILE 109 3HG2 ILE 109 4.362 10.597 -1.296 863 1HD1 ILE 109 1HD1 ILE 109 7.644 8.213 -1.115 864 2HD1 ILE 109 2HD1 ILE 109 7.352 6.543 -1.658 865 3HD1 ILE 109 3HD1 ILE 109 6.637 7.886 -2.552 866 H TYR 110 H TYR 110 3.648 10.083 2.766 867 HA TYR 110 HA TYR 110 3.562 12.952 1.979 868 1HB TYR 110 1HB TYR 110 1.438 11.827 2.460 869 2HB TYR 110 2HB TYR 110 2.035 11.240 3.978 870 HD1 TYR 110 HD1 TYR 110 2.106 12.578 5.990 871 HD2 TYR 110 HD2 TYR 110 0.970 14.324 2.198 872 HE1 TYR 110 HE1 TYR 110 1.181 14.541 7.167 873 HE2 TYR 110 HE2 TYR 110 0.059 16.295 3.383 874 HH TYR 110 HH TYR 110 0.161 17.434 5.563 875 H GLU 111 H GLU 111 4.196 10.832 4.761 876 HA GLU 111 HA GLU 111 5.136 12.696 6.670 877 1HB GLU 111 1HB GLU 111 4.331 10.382 7.095 878 2HB GLU 111 2HB GLU 111 5.625 9.741 6.105 879 1HG GLU 111 1HG GLU 111 7.190 10.889 7.923 880 2HG GLU 111 2HG GLU 111 5.726 10.768 8.913 881 H GLU 112 H GLU 112 6.818 11.016 3.958 882 HA GLU 112 HA GLU 112 9.417 11.794 4.714 883 1HB GLU 112 1HB GLU 112 10.049 10.588 2.946 884 2HB GLU 112 2HB GLU 112 8.477 9.955 3.067 885 1HG GLU 112 1HG GLU 112 8.565 10.246 0.838 886 2HG GLU 112 2HG GLU 112 7.798 11.763 1.300 887 H LYS 113 H LYS 113 6.879 13.476 2.830 888 HA LYS 113 HA LYS 113 8.745 15.405 1.759 889 1HB LYS 113 1HB LYS 113 6.475 14.788 0.773 890 2HB LYS 113 2HB LYS 113 5.722 15.671 2.100 891 1HG LYS 113 1HG LYS 113 5.760 17.062 0.131 892 2HG LYS 113 2HG LYS 113 6.847 17.751 1.332 893 1HD LYS 113 1HD LYS 113 8.795 16.706 0.095 894 2HD LYS 113 2HD LYS 113 7.644 16.122 -1.124 895 1HE LYS 113 1HE LYS 113 6.973 18.500 -1.550 896 2HE LYS 113 2HE LYS 113 8.148 19.027 -0.332 897 1HZ LYS 113 1HZ LYS 113 8.715 17.703 -2.897 898 2HZ LYS 113 2HZ LYS 113 9.146 19.217 -2.480 899 3HZ LYS 113 3HZ LYS 113 9.869 17.928 -1.751 900 H LEU 114 H LEU 114 7.162 14.927 4.740 901 HA LEU 114 HA LEU 114 7.704 17.638 5.829 902 1HB LEU 114 1HB LEU 114 6.286 15.102 6.724 903 2HB LEU 114 2HB LEU 114 6.747 16.268 7.934 904 HG LEU 114 HG LEU 114 5.070 16.989 5.486 905 1HD1 LEU 114 1HD1 LEU 114 4.135 16.182 8.267 906 2HD1 LEU 114 2HD1 LEU 114 3.100 16.810 6.954 907 3HD1 LEU 114 3HD1 LEU 114 3.915 15.253 6.766 908 1HD2 LEU 114 1HD2 LEU 114 6.112 18.932 6.626 909 2HD2 LEU 114 2HD2 LEU 114 4.365 18.921 6.861 910 3HD2 LEU 114 3HD2 LEU 114 5.439 18.396 8.178 911 H ALA 115 H ALA 115 8.827 14.222 6.214 912 HA ALA 115 HA ALA 115 10.710 14.863 8.270 913 1HB ALA 115 1HB ALA 115 9.816 12.577 7.908 914 2HB ALA 115 2HB ALA 115 10.670 12.502 6.344 915 3HB ALA 115 3HB ALA 115 11.589 12.609 7.848 916 H GLN 116 H GLN 116 10.895 14.915 4.707 917 HA GLN 116 HA GLN 116 13.708 15.106 4.589 918 1HB GLN 116 1HB GLN 116 13.548 15.749 2.355 919 2HB GLN 116 2HB GLN 116 12.232 14.634 2.659 920 1HG GLN 116 1HG GLN 116 11.225 16.249 1.327 921 2HG GLN 116 2HG GLN 116 10.757 16.736 2.949 922 1HE2 GLN 116 1HE2 GLN 116 13.546 17.351 0.608 923 2HE2 GLN 116 2HE2 GLN 116 13.637 19.051 1.036 924 H ALA 117 H ALA 117 11.342 17.415 5.649 925 HA ALA 117 HA ALA 117 12.906 19.795 5.348 926 1HB ALA 117 1HB ALA 117 10.864 19.254 7.526 927 2HB ALA 117 2HB ALA 117 11.295 20.798 6.791 928 3HB ALA 117 3HB ALA 117 10.397 19.598 5.841 929 H ARG 118 H ARG 118 13.097 17.086 7.631 930 HA ARG 118 HA ARG 118 14.895 18.613 9.378 931 1HB ARG 118 1HB ARG 118 13.141 16.893 10.233 932 2HB ARG 118 2HB ARG 118 14.281 15.661 9.669 933 1HG ARG 118 1HG ARG 118 16.081 16.822 11.072 934 2HG ARG 118 2HG ARG 118 14.808 17.907 11.660 935 1HD ARG 118 1HD ARG 118 13.603 15.604 12.260 936 2HD ARG 118 2HD ARG 118 15.262 14.978 12.224 937 HE ARG 118 HE ARG 118 15.008 17.435 13.758 938 1HH1 ARG 118 2HH2 ARG 118 14.643 13.907 14.085 939 2HH1 ARG 118 1HH2 ARG 118 14.414 13.974 15.784 940 1HH2 ARG 118 2HH1 ARG 118 14.741 17.529 15.914 941 2HH2 ARG 118 1HH1 ARG 118 14.345 16.108 16.864 942 H GLU 119 H GLU 119 14.844 15.905 7.077 943 HA GLU 119 HA GLU 119 17.558 15.177 7.128 944 1HB GLU 119 1HB GLU 119 15.451 14.169 5.929 945 2HB GLU 119 2HB GLU 119 15.851 15.266 4.606 946 1HG GLU 119 1HG GLU 119 17.976 14.169 4.260 947 2HG GLU 119 2HG GLU 119 17.762 13.186 5.724 948 H SER 120 H SER 120 15.973 17.914 5.640 949 HA SER 120 HA SER 120 17.866 18.998 3.940 950 1HB SER 120 1HB SER 120 16.016 20.379 5.918 951 2HB SER 120 2HB SER 120 16.864 21.191 4.612 952 HG SER 120 HG SER 120 15.056 19.016 4.217 953 H ILE 121 H ILE 121 17.813 19.273 7.586 954 HA ILE 121 HA ILE 121 19.911 21.204 7.581 955 HB ILE 121 HB ILE 121 18.996 19.340 9.818 956 1HG1 ILE 121 1HG1 ILE 121 18.151 21.810 10.548 957 2HG1 ILE 121 2HG1 ILE 121 18.096 22.052 8.817 958 1HG2 ILE 121 1HG2 ILE 121 20.702 21.867 9.974 959 2HG2 ILE 121 2HG2 ILE 121 20.072 20.940 11.358 960 3HG2 ILE 121 3HG2 ILE 121 21.268 20.220 10.295 961 1HD1 ILE 121 1HD1 ILE 121 16.518 20.176 8.598 962 2HD1 ILE 121 2HD1 ILE 121 16.674 19.825 10.340 963 3HD1 ILE 121 3HD1 ILE 121 15.924 21.335 9.793 964 H ILE 122 H ILE 122 20.022 17.616 7.544 965 HA ILE 122 HA ILE 122 22.951 17.732 8.016 966 HB ILE 122 HB ILE 122 20.929 15.503 7.830 967 1HG1 ILE 122 1HG1 ILE 122 21.828 14.912 10.065 968 2HG1 ILE 122 2HG1 ILE 122 22.941 16.270 9.991 969 1HG2 ILE 122 1HG2 ILE 122 22.916 14.647 6.634 970 2HG2 ILE 122 2HG2 ILE 122 23.957 15.158 7.979 971 3HG2 ILE 122 3HG2 ILE 122 22.757 13.869 8.204 972 1HD1 ILE 122 1HD1 ILE 122 21.144 17.855 10.213 973 2HD1 ILE 122 2HD1 ILE 122 19.913 16.584 9.980 974 3HD1 ILE 122 3HD1 ILE 122 20.931 16.618 11.437 975 H ALA 123 H ALA 123 20.661 17.523 5.337 976 HA ALA 123 HA ALA 123 22.524 16.687 3.354 977 1HB ALA 123 1HB ALA 123 20.772 17.484 1.794 978 2HB ALA 123 2HB ALA 123 20.086 16.484 3.080 979 3HB ALA 123 3HB ALA 123 19.927 18.260 3.140 980 H ASP 124 H ASP 124 21.463 19.824 4.661 981 HA ASP 124 HA ASP 124 23.113 21.534 3.010 982 1HB ASP 124 1HB ASP 124 21.945 21.961 5.815 983 2HB ASP 124 2HB ASP 124 22.717 23.200 4.836 984 H ASN 125 H ASN 125 23.211 20.515 6.420 985 HA ASN 125 HA ASN 125 24.545 19.579 7.759 986 1HB ASN 125 1HB ASN 125 25.826 18.719 5.566 987 2HB ASN 125 2HB ASN 125 27.081 19.780 6.212 988 1HD2 ASN 125 1HD2 ASN 125 25.709 16.676 6.380 989 2HD2 ASN 125 2HD2 ASN 125 26.577 16.143 7.835 990 H ASN 126 H ASN 126 26.230 20.173 9.205 991 HA ASN 126 HA ASN 126 26.977 23.092 9.145 992 1HB ASN 126 1HB ASN 126 26.341 21.447 11.616 993 2HB ASN 126 2HB ASN 126 26.889 23.111 11.594 994 1HD2 ASN 126 1HD2 ASN 126 24.821 23.244 9.001 995 2HD2 ASN 126 2HD2 ASN 126 23.350 23.583 9.883 996 H ILE 127 H ILE 127 28.135 19.766 9.513 997 HA ILE 127 HA ILE 127 30.811 20.760 9.258 998 HB ILE 127 HB ILE 127 30.847 20.913 11.594 999 1HG1 ILE 127 1HG1 ILE 127 32.442 19.221 12.355 1000 2HG1 ILE 127 2HG1 ILE 127 32.063 18.191 10.977 1001 1HG2 ILE 127 1HG2 ILE 127 30.174 19.336 13.239 1002 2HG2 ILE 127 2HG2 ILE 127 28.790 19.631 12.198 1003 3HG2 ILE 127 3HG2 ILE 127 29.725 18.122 12.047 1004 1HD1 ILE 127 1HD1 ILE 127 32.983 19.886 9.433 1005 2HD1 ILE 127 2HD1 ILE 127 33.249 21.000 10.799 1006 3HD1 ILE 127 3HD1 ILE 127 34.167 19.484 10.687 1007 H GLN 128 H GLN 128 29.266 17.738 10.364 1008 HA GLN 128 HA GLN 128 29.129 16.469 7.836 1009 1HB GLN 128 1HB GLN 128 31.476 15.915 8.100 1010 2HB GLN 128 2HB GLN 128 31.276 15.588 9.827 1011 1HG GLN 128 1HG GLN 128 29.902 13.605 9.340 1012 2HG GLN 128 2HG GLN 128 29.918 13.993 7.627 1013 1HE2 GLN 128 1HE2 GLN 128 31.092 12.390 6.668 1014 2HE2 GLN 128 2HE2 GLN 128 32.538 11.649 7.330 Start of MODEL 10 1 1H MET 1 H MET 1 -27.205 -1.743 -3.657 2 HA MET 1 HA MET 1 -25.365 0.010 -5.085 3 1HB MET 1 1HB MET 1 -25.561 1.630 -3.309 4 2HB MET 1 2HB MET 1 -27.111 1.426 -4.079 5 1HG MET 1 1HG MET 1 -28.014 0.264 -2.195 6 2HG MET 1 2HG MET 1 -26.420 -0.066 -1.526 7 1HE MET 1 1HE MET 1 -27.586 2.033 1.339 8 2HE MET 1 2HE MET 1 -28.443 0.766 0.428 9 3HE MET 1 3HE MET 1 -26.711 0.587 0.796 10 H LYS 2 H LYS 2 -23.218 -0.085 -4.221 11 HA LYS 2 HA LYS 2 -22.805 -1.136 -1.586 12 1HB LYS 2 1HB LYS 2 -22.888 -3.299 -2.802 13 2HB LYS 2 2HB LYS 2 -21.726 -2.692 -3.974 14 1HG LYS 2 1HG LYS 2 -20.465 -4.077 -2.664 15 2HG LYS 2 2HG LYS 2 -20.056 -2.504 -2.009 16 1HD LYS 2 1HD LYS 2 -21.936 -4.580 -0.796 17 2HD LYS 2 2HD LYS 2 -20.297 -4.183 -0.272 18 1HE LYS 2 1HE LYS 2 -21.084 -1.830 0.195 19 2HE LYS 2 2HE LYS 2 -22.748 -2.388 -0.106 20 1HZ LYS 2 1HZ LYS 2 -22.026 -2.357 2.250 21 2HZ LYS 2 2HZ LYS 2 -22.602 -3.816 1.770 22 3HZ LYS 2 3HZ LYS 2 -20.994 -3.593 1.931 23 H ALA 3 H ALA 3 -21.815 0.889 -1.130 24 HA ALA 3 HA ALA 3 -19.079 1.131 -1.997 25 1HB ALA 3 1HB ALA 3 -20.455 2.284 -3.873 26 2HB ALA 3 2HB ALA 3 -20.937 3.469 -2.631 27 3HB ALA 3 3HB ALA 3 -19.246 3.264 -3.073 28 H LEU 4 H LEU 4 -18.144 3.134 -0.908 29 HA LEU 4 HA LEU 4 -19.452 4.605 1.048 30 1HB LEU 4 1HB LEU 4 -19.258 2.290 2.286 31 2HB LEU 4 2HB LEU 4 -17.575 2.700 2.467 32 HG LEU 4 HG LEU 4 -18.871 3.286 4.422 33 1HD1 LEU 4 1HD1 LEU 4 -18.215 5.569 4.821 34 2HD1 LEU 4 2HD1 LEU 4 -16.953 4.760 3.889 35 3HD1 LEU 4 3HD1 LEU 4 -18.062 5.900 3.091 36 1HD2 LEU 4 1HD2 LEU 4 -21.049 3.720 3.217 37 2HD2 LEU 4 2HD2 LEU 4 -20.653 4.833 4.535 38 3HD2 LEU 4 3HD2 LEU 4 -20.450 5.344 2.852 39 H GLU 5 H GLU 5 -18.359 6.186 -0.286 40 HA GLU 5 HA GLU 5 -15.801 6.915 0.661 41 1HB GLU 5 1HB GLU 5 -15.153 5.187 -1.044 42 2HB GLU 5 2HB GLU 5 -16.004 6.105 -2.288 43 1HG GLU 5 1HG GLU 5 -14.376 7.805 -2.294 44 2HG GLU 5 2HG GLU 5 -13.842 7.431 -0.651 45 H HIS 6 H HIS 6 -15.257 8.927 -0.320 46 HA HIS 6 HA HIS 6 -15.709 10.791 -1.816 47 1HB HIS 6 1HB HIS 6 -18.039 10.299 -2.250 48 2HB HIS 6 2HB HIS 6 -18.485 10.689 -0.589 49 HD1 HIS 6 HD1 HIS 6 -16.466 12.705 -3.264 50 HD2 HIS 6 HD2 HIS 6 -20.026 12.726 -0.985 51 HE1 HIS 6 HE1 HIS 6 -17.795 14.798 -3.965 52 HE2 HIS 6 HE2 HIS 6 -19.953 14.796 -2.583 53 H GLU 7 H GLU 7 -16.582 10.163 1.543 54 HA GLU 7 HA GLU 7 -16.086 12.767 2.495 55 1HB GLU 7 1HB GLU 7 -15.933 10.139 4.025 56 2HB GLU 7 2HB GLU 7 -16.055 11.746 4.729 57 1HG GLU 7 1HG GLU 7 -18.253 11.139 4.843 58 2HG GLU 7 2HG GLU 7 -18.256 11.953 3.283 59 H LYS 8 H LYS 8 -13.681 10.453 1.588 60 HA LYS 8 HA LYS 8 -11.575 11.789 3.222 61 1HB LYS 8 1HB LYS 8 -11.626 9.128 1.717 62 2HB LYS 8 2HB LYS 8 -10.128 9.888 2.278 63 1HG LYS 8 1HG LYS 8 -11.076 10.026 4.572 64 2HG LYS 8 2HG LYS 8 -12.449 9.049 4.059 65 1HD LYS 8 1HD LYS 8 -9.529 8.181 3.848 66 2HD LYS 8 2HD LYS 8 -10.554 7.819 5.239 67 1HE LYS 8 1HE LYS 8 -12.046 6.463 3.948 68 2HE LYS 8 2HE LYS 8 -11.321 6.995 2.421 69 1HZ LYS 8 1HZ LYS 8 -9.329 5.886 2.970 70 2HZ LYS 8 2HZ LYS 8 -9.839 5.451 4.457 71 3HZ LYS 8 3HZ LYS 8 -10.542 4.787 3.113 72 H THR 9 H THR 9 -9.410 11.671 1.522 73 HA THR 9 HA THR 9 -10.232 13.394 -0.734 74 HB THR 9 HB THR 9 -7.767 13.923 -0.673 75 HG1 THR 9 1HG THR 9 -7.812 13.200 2.045 76 1HG2 THR 9 1HG2 THR 9 -8.086 15.583 1.109 77 2HG2 THR 9 2HG2 THR 9 -9.587 15.405 0.188 78 3HG2 THR 9 3HG2 THR 9 -9.446 14.648 1.786 79 HA PRO 10 HA PRO 10 -8.918 9.466 -2.686 80 1HB PRO 10 1HB PRO 10 -10.711 9.315 -4.746 81 2HB PRO 10 2HB PRO 10 -11.153 8.861 -3.074 82 1HG PRO 10 1HG PRO 10 -11.635 11.528 -4.452 83 2HG PRO 10 2HG PRO 10 -12.811 10.512 -3.553 84 1HD PRO 10 1HD PRO 10 -11.529 12.592 -2.357 85 2HD PRO 10 2HD PRO 10 -11.866 11.061 -1.484 86 H GLU 11 H GLU 11 -8.925 12.798 -3.720 87 HA GLU 11 HA GLU 11 -7.777 12.139 -6.398 88 1HB GLU 11 1HB GLU 11 -8.360 14.835 -5.112 89 2HB GLU 11 2HB GLU 11 -7.681 14.594 -6.701 90 1HG GLU 11 1HG GLU 11 -10.370 13.342 -6.036 91 2HG GLU 11 2HG GLU 11 -10.234 15.064 -6.350 92 H LEU 12 H LEU 12 -7.069 13.760 -3.297 93 HA LEU 12 HA LEU 12 -4.284 14.234 -3.733 94 1HB LEU 12 1HB LEU 12 -5.795 15.097 -1.806 95 2HB LEU 12 2HB LEU 12 -5.525 13.544 -1.041 96 HG LEU 12 HG LEU 12 -4.077 15.124 -0.050 97 1HD1 LEU 12 1HD1 LEU 12 -2.155 13.737 -1.935 98 2HD1 LEU 12 2HD1 LEU 12 -1.877 14.262 -0.277 99 3HD1 LEU 12 3HD1 LEU 12 -2.964 12.893 -0.585 100 1HD2 LEU 12 1HD2 LEU 12 -4.109 16.806 -1.863 101 2HD2 LEU 12 2HD2 LEU 12 -2.493 16.549 -1.189 102 3HD2 LEU 12 3HD2 LEU 12 -2.918 15.853 -2.767 103 H ALA 13 H ALA 13 -6.126 11.444 -2.414 104 HA ALA 13 HA ALA 13 -3.760 9.964 -1.735 105 1HB ALA 13 1HB ALA 13 -6.002 9.497 -0.736 106 2HB ALA 13 2HB ALA 13 -6.583 8.948 -2.329 107 3HB ALA 13 3HB ALA 13 -5.293 8.051 -1.489 108 H ALA 14 H ALA 14 -5.640 10.267 -4.723 109 HA ALA 14 HA ALA 14 -4.270 7.991 -6.003 110 1HB ALA 14 1HB ALA 14 -6.042 10.192 -7.109 111 2HB ALA 14 2HB ALA 14 -5.419 8.792 -8.007 112 3HB ALA 14 3HB ALA 14 -6.535 8.532 -6.661 113 H LYS 15 H LYS 15 -3.831 11.493 -5.728 114 HA LYS 15 HA LYS 15 -1.727 11.629 -7.782 115 1HB LYS 15 1HB LYS 15 -2.837 13.503 -5.693 116 2HB LYS 15 2HB LYS 15 -1.207 13.787 -6.267 117 1HG LYS 15 1HG LYS 15 -2.651 15.063 -7.671 118 2HG LYS 15 2HG LYS 15 -2.060 13.726 -8.634 119 1HD LYS 15 1HD LYS 15 -4.387 12.587 -7.975 120 2HD LYS 15 2HD LYS 15 -4.836 14.241 -7.557 121 1HE LYS 15 1HE LYS 15 -5.526 14.095 -9.775 122 2HE LYS 15 2HE LYS 15 -3.921 14.818 -9.950 123 1HZ LYS 15 1HZ LYS 15 -4.710 11.995 -10.414 124 2HZ LYS 15 2HZ LYS 15 -4.087 13.043 -11.496 125 3HZ LYS 15 3HZ LYS 15 -3.149 12.410 -10.294 126 H LEU 16 H LEU 16 -1.824 11.394 -4.269 127 HA LEU 16 HA LEU 16 0.959 11.213 -3.827 128 1HB LEU 16 1HB LEU 16 -0.847 11.819 -2.203 129 2HB LEU 16 2HB LEU 16 -1.490 10.181 -2.327 130 HG LEU 16 HG LEU 16 0.607 9.311 -1.295 131 1HD1 LEU 16 1HD1 LEU 16 2.054 11.275 -1.993 132 2HD1 LEU 16 2HD1 LEU 16 1.198 12.277 -0.816 133 3HD1 LEU 16 3HD1 LEU 16 2.147 10.865 -0.290 134 1HD2 LEU 16 1HD2 LEU 16 -0.029 10.056 0.961 135 2HD2 LEU 16 2HD2 LEU 16 -0.801 11.515 0.312 136 3HD2 LEU 16 3HD2 LEU 16 -1.507 9.925 0.005 137 H ALA 17 H ALA 17 -1.523 8.756 -4.612 138 HA ALA 17 HA ALA 17 0.000 6.438 -4.232 139 1HB ALA 17 1HB ALA 17 -2.060 6.929 -6.428 140 2HB ALA 17 2HB ALA 17 -1.471 5.369 -5.853 141 3HB ALA 17 3HB ALA 17 -2.428 6.384 -4.777 142 H ALA 18 H ALA 18 -0.038 8.693 -7.079 143 HA ALA 18 HA ALA 18 1.285 6.962 -8.861 144 1HB ALA 18 1HB ALA 18 1.805 8.990 -10.123 145 2HB ALA 18 2HB ALA 18 0.150 9.086 -9.482 146 3HB ALA 18 3HB ALA 18 1.460 10.001 -8.710 147 H GLU 19 H GLU 19 2.665 9.389 -6.650 148 HA GLU 19 HA GLU 19 5.443 8.892 -7.171 149 1HB GLU 19 1HB GLU 19 3.822 10.032 -4.869 150 2HB GLU 19 2HB GLU 19 5.552 9.784 -4.681 151 1HG GLU 19 1HG GLU 19 4.399 11.386 -6.979 152 2HG GLU 19 2HG GLU 19 4.725 12.105 -5.402 153 H ALA 20 H ALA 20 3.129 7.505 -4.798 154 HA ALA 20 HA ALA 20 5.138 5.892 -3.550 155 1HB ALA 20 1HB ALA 20 3.036 6.874 -2.518 156 2HB ALA 20 2HB ALA 20 2.120 5.592 -3.344 157 3HB ALA 20 3HB ALA 20 3.367 5.181 -2.134 158 H ILE 21 H ILE 21 3.083 5.288 -6.280 159 HA ILE 21 HA ILE 21 3.465 2.427 -6.365 160 HB ILE 21 HB ILE 21 2.407 4.694 -8.117 161 1HG1 ILE 21 1HG1 ILE 21 1.085 2.091 -7.263 162 2HG1 ILE 21 2HG1 ILE 21 1.050 3.552 -6.291 163 1HG2 ILE 21 1HG2 ILE 21 1.826 3.242 -9.991 164 2HG2 ILE 21 2HG2 ILE 21 3.559 3.383 -9.788 165 3HG2 ILE 21 3HG2 ILE 21 2.740 1.922 -9.237 166 1HD1 ILE 21 1HD1 ILE 21 0.019 4.767 -8.266 167 2HD1 ILE 21 2HD1 ILE 21 -0.194 3.171 -9.035 168 3HD1 ILE 21 3HD1 ILE 21 -0.985 3.533 -7.498 169 H GLU 22 H GLU 22 5.131 5.324 -7.532 170 HA GLU 22 HA GLU 22 6.898 3.867 -9.300 171 1HB GLU 22 1HB GLU 22 6.457 6.409 -9.314 172 2HB GLU 22 2HB GLU 22 7.325 6.489 -7.796 173 1HG GLU 22 1HG GLU 22 9.094 6.922 -9.100 174 2HG GLU 22 2HG GLU 22 9.232 5.168 -9.197 175 H ARG 23 H ARG 23 6.874 4.940 -5.917 176 HA ARG 23 HA ARG 23 9.451 3.981 -5.135 177 1HB ARG 23 1HB ARG 23 7.880 5.729 -4.027 178 2HB ARG 23 2HB ARG 23 6.988 4.367 -3.364 179 1HG ARG 23 1HG ARG 23 8.492 5.268 -1.719 180 2HG ARG 23 2HG ARG 23 9.034 3.639 -2.132 181 1HD ARG 23 1HD ARG 23 10.946 4.372 -3.098 182 2HD ARG 23 2HD ARG 23 10.201 5.840 -3.767 183 HE ARG 23 HE ARG 23 10.393 6.309 -1.014 184 1HH1 ARG 23 2HH2 ARG 23 12.612 5.745 -3.767 185 2HH1 ARG 23 1HH2 ARG 23 13.897 6.669 -3.067 186 1HH2 ARG 23 2HH1 ARG 23 11.978 7.666 -0.239 187 2HH2 ARG 23 1HH1 ARG 23 13.560 7.753 -0.965 188 H ASP 24 H ASP 24 6.154 2.524 -4.986 189 HA ASP 24 HA ASP 24 7.382 0.044 -3.946 190 1HB ASP 24 1HB ASP 24 5.670 1.315 -2.584 191 2HB ASP 24 2HB ASP 24 4.491 0.854 -3.748 192 HA PRO 25 HA PRO 25 6.020 -1.567 -7.966 193 1HB PRO 25 1HB PRO 25 7.195 -4.041 -7.815 194 2HB PRO 25 2HB PRO 25 8.061 -2.547 -8.272 195 1HG PRO 25 1HG PRO 25 7.985 -3.879 -5.567 196 2HG PRO 25 2HG PRO 25 9.402 -3.238 -6.455 197 1HD PRO 25 1HD PRO 25 8.140 -1.820 -4.514 198 2HD PRO 25 2HD PRO 25 8.813 -1.006 -5.960 199 H TRP 26 H TRP 26 5.504 -3.068 -4.702 200 HA TRP 26 HA TRP 26 3.413 -4.788 -5.706 201 1HB TRP 26 1HB TRP 26 4.433 -5.301 -3.569 202 2HB TRP 26 2HB TRP 26 3.929 -3.753 -2.903 203 HD1 TRP 26 HD TRP 26 2.212 -4.300 -1.209 204 HE1 TRP 26 1HE TRP 26 -0.079 -5.424 -1.130 205 HE3 TRP 26 3HE TRP 26 2.518 -6.775 -5.623 206 HZ2 TRP 26 2HZ TRP 26 -1.556 -7.340 -2.855 207 HZ3 TRP 26 3HZ TRP 26 0.852 -8.452 -6.247 208 HH2 TRP 26 HH TRP 26 -1.251 -8.677 -4.927 209 H ALA 27 H ALA 27 3.370 -1.427 -4.290 210 HA ALA 27 HA ALA 27 0.594 -1.055 -4.541 211 1HB ALA 27 1HB ALA 27 1.053 1.339 -4.708 212 2HB ALA 27 2HB ALA 27 2.179 0.625 -3.533 213 3HB ALA 27 3HB ALA 27 2.735 1.004 -5.150 214 H ALA 28 H ALA 28 3.149 -0.778 -7.020 215 HA ALA 28 HA ALA 28 1.469 0.190 -9.117 216 1HB ALA 28 1HB ALA 28 4.017 0.119 -9.119 217 2HB ALA 28 2HB ALA 28 3.924 -1.622 -9.424 218 3HB ALA 28 3HB ALA 28 3.259 -0.494 -10.610 219 H GLN 29 H GLN 29 2.359 -3.102 -8.085 220 HA GLN 29 HA GLN 29 0.894 -4.536 -10.083 221 1HB GLN 29 1HB GLN 29 1.856 -5.185 -7.290 222 2HB GLN 29 2HB GLN 29 0.842 -6.325 -8.146 223 1HG GLN 29 1HG GLN 29 2.440 -6.586 -9.910 224 2HG GLN 29 2HG GLN 29 3.361 -5.181 -9.386 225 1HE2 GLN 29 1HE2 GLN 29 4.978 -5.443 -7.922 226 2HE2 GLN 29 2HE2 GLN 29 5.385 -6.974 -7.164 227 H VAL 30 H VAL 30 -0.071 -3.561 -6.743 228 HA VAL 30 HA VAL 30 -2.698 -4.547 -6.794 229 HB VAL 30 HB VAL 30 -1.354 -2.227 -5.338 230 1HG1 VAL 30 1HG1 VAL 30 -3.705 -1.600 -5.285 231 2HG1 VAL 30 2HG1 VAL 30 -4.171 -3.244 -4.819 232 3HG1 VAL 30 3HG1 VAL 30 -3.230 -2.229 -3.707 233 1HG2 VAL 30 1HG2 VAL 30 -2.251 -5.016 -4.549 234 2HG2 VAL 30 2HG2 VAL 30 -0.595 -4.494 -4.812 235 3HG2 VAL 30 3HG2 VAL 30 -1.485 -3.830 -3.442 236 H SER 31 H SER 31 -1.463 -1.441 -7.886 237 HA SER 31 HA SER 31 -4.037 -0.307 -8.407 238 1HB SER 31 1HB SER 31 -1.242 0.407 -9.405 239 2HB SER 31 2HB SER 31 -2.645 1.482 -9.446 240 HG SER 31 HG SER 31 -1.184 0.483 -7.261 241 H GLN 32 H GLN 32 -2.012 -2.490 -10.215 242 HA GLN 32 HA GLN 32 -3.507 -2.070 -12.723 243 1HB GLN 32 1HB GLN 32 -1.080 -2.419 -12.792 244 2HB GLN 32 2HB GLN 32 -1.238 -3.968 -11.955 245 1HG GLN 32 1HG GLN 32 -2.564 -4.872 -13.813 246 2HG GLN 32 2HG GLN 32 -2.470 -3.323 -14.653 247 1HE2 GLN 32 1HE2 GLN 32 0.525 -2.896 -13.975 248 2HE2 GLN 32 2HE2 GLN 32 1.269 -3.998 -15.100 249 H LEU 33 H LEU 33 -3.221 -4.290 -9.944 250 HA LEU 33 HA LEU 33 -4.883 -6.419 -10.920 251 1HB LEU 33 1HB LEU 33 -4.453 -5.510 -8.041 252 2HB LEU 33 2HB LEU 33 -5.206 -7.000 -8.540 253 HG LEU 33 HG LEU 33 -2.318 -6.270 -8.445 254 1HD1 LEU 33 1HD1 LEU 33 -2.071 -8.432 -7.459 255 2HD1 LEU 33 2HD1 LEU 33 -3.356 -7.545 -6.646 256 3HD1 LEU 33 3HD1 LEU 33 -3.765 -8.839 -7.797 257 1HD2 LEU 33 1HD2 LEU 33 -1.725 -8.198 -9.882 258 2HD2 LEU 33 2HD2 LEU 33 -3.440 -8.315 -10.367 259 3HD2 LEU 33 3HD2 LEU 33 -2.490 -6.881 -10.777 260 H SER 34 H SER 34 -5.571 -3.303 -9.688 261 HA SER 34 HA SER 34 -7.502 -2.074 -9.441 262 1HB SER 34 1HB SER 34 -8.662 -4.033 -11.452 263 2HB SER 34 2HB SER 34 -9.117 -2.341 -11.204 264 HG SER 34 HG SER 34 -6.569 -3.289 -12.131 265 H LEU 35 H LEU 35 -7.233 -3.802 -7.317 266 HA LEU 35 HA LEU 35 -9.434 -5.601 -6.980 267 1HB LEU 35 1HB LEU 35 -7.807 -4.133 -4.861 268 2HB LEU 35 2HB LEU 35 -8.993 -5.373 -4.541 269 HG LEU 35 HG LEU 35 -7.169 -6.629 -4.322 270 1HD1 LEU 35 1HD1 LEU 35 -8.423 -7.690 -6.180 271 2HD1 LEU 35 2HD1 LEU 35 -7.373 -6.856 -7.344 272 3HD1 LEU 35 3HD1 LEU 35 -6.690 -8.047 -6.228 273 1HD2 LEU 35 1HD2 LEU 35 -5.757 -4.909 -6.362 274 2HD2 LEU 35 2HD2 LEU 35 -5.545 -4.956 -4.601 275 3HD2 LEU 35 3HD2 LEU 35 -5.040 -6.339 -5.572 276 HA PRO 36 HA PRO 36 -12.631 -2.704 -6.467 277 1HB PRO 36 1HB PRO 36 -14.513 -4.054 -4.925 278 2HB PRO 36 2HB PRO 36 -14.182 -4.311 -6.651 279 1HG PRO 36 1HG PRO 36 -13.097 -5.868 -4.298 280 2HG PRO 36 2HG PRO 36 -13.760 -6.511 -5.833 281 1HD PRO 36 1HD PRO 36 -11.086 -6.282 -5.389 282 2HD PRO 36 2HD PRO 36 -11.787 -5.944 -6.997 283 H LYS 37 H LYS 37 -12.843 -4.196 -3.177 284 HA LYS 37 HA LYS 37 -11.971 -1.628 -2.023 285 1HB LYS 37 1HB LYS 37 -14.472 -1.573 -2.635 286 2HB LYS 37 2HB LYS 37 -14.733 -2.780 -1.398 287 1HG LYS 37 1HG LYS 37 -15.263 -0.540 -0.641 288 2HG LYS 37 2HG LYS 37 -13.952 -1.214 0.340 289 1HD LYS 37 1HD LYS 37 -12.308 0.162 -0.757 290 2HD LYS 37 2HD LYS 37 -13.412 0.577 -2.049 291 1HE LYS 37 1HE LYS 37 -13.648 1.490 0.852 292 2HE LYS 37 2HE LYS 37 -12.982 2.442 -0.486 293 1HZ LYS 37 1HZ LYS 37 -15.264 3.041 -0.045 294 2HZ LYS 37 2HZ LYS 37 -15.144 2.403 -1.540 295 3HZ LYS 37 3HZ LYS 37 -15.768 1.518 -0.265 296 H LEU 38 H LEU 38 -13.550 -4.728 -0.985 297 HA LEU 38 HA LEU 38 -12.188 -4.619 1.574 298 1HB LEU 38 1HB LEU 38 -14.352 -5.972 0.772 299 2HB LEU 38 2HB LEU 38 -13.175 -7.201 0.324 300 HG LEU 38 HG LEU 38 -12.297 -7.009 2.743 301 1HD1 LEU 38 1HD1 LEU 38 -13.353 -4.876 3.360 302 2HD1 LEU 38 2HD1 LEU 38 -14.963 -5.544 3.043 303 3HD1 LEU 38 3HD1 LEU 38 -13.980 -6.168 4.381 304 1HD2 LEU 38 1HD2 LEU 38 -14.122 -8.442 3.595 305 2HD2 LEU 38 2HD2 LEU 38 -15.154 -7.967 2.228 306 3HD2 LEU 38 3HD2 LEU 38 -13.665 -8.901 1.948 307 H VAL 39 H VAL 39 -11.684 -6.536 -1.427 308 HA VAL 39 HA VAL 39 -9.269 -7.770 -0.493 309 HB VAL 39 HB VAL 39 -9.896 -7.271 -3.430 310 1HG1 VAL 39 1HG1 VAL 39 -7.702 -8.308 -2.899 311 2HG1 VAL 39 2HG1 VAL 39 -8.516 -9.584 -1.997 312 3HG1 VAL 39 3HG1 VAL 39 -8.758 -9.436 -3.751 313 1HG2 VAL 39 1HG2 VAL 39 -11.956 -8.157 -2.728 314 2HG2 VAL 39 2HG2 VAL 39 -11.078 -9.554 -3.321 315 3HG2 VAL 39 3HG2 VAL 39 -11.210 -9.268 -1.570 316 H GLU 40 H GLU 40 -9.935 -4.639 -1.993 317 HA GLU 40 HA GLU 40 -7.205 -3.961 -2.636 318 1HB GLU 40 1HB GLU 40 -9.183 -2.692 -3.521 319 2HB GLU 40 2HB GLU 40 -9.548 -2.185 -1.878 320 1HG GLU 40 1HG GLU 40 -7.108 -1.211 -1.868 321 2HG GLU 40 2HG GLU 40 -7.171 -1.416 -3.609 322 H GLN 41 H GLN 41 -9.282 -3.533 0.317 323 HA GLN 41 HA GLN 41 -7.337 -2.136 1.795 324 1HB GLN 41 1HB GLN 41 -9.851 -2.528 2.279 325 2HB GLN 41 2HB GLN 41 -9.352 -3.998 3.096 326 1HG GLN 41 1HG GLN 41 -8.125 -2.787 4.749 327 2HG GLN 41 2HG GLN 41 -8.031 -1.331 3.746 328 1HE2 GLN 41 1HE2 GLN 41 -9.829 -2.809 6.269 329 2HE2 GLN 41 2HE2 GLN 41 -11.180 -1.710 6.225 330 H VAL 42 H VAL 42 -7.840 -5.616 1.351 331 HA VAL 42 HA VAL 42 -5.907 -6.519 3.272 332 HB VAL 42 HB VAL 42 -7.328 -7.678 0.864 333 1HG1 VAL 42 1HG1 VAL 42 -5.205 -9.208 2.407 334 2HG1 VAL 42 2HG1 VAL 42 -6.390 -9.903 1.293 335 3HG1 VAL 42 3HG1 VAL 42 -5.159 -8.793 0.690 336 1HG2 VAL 42 1HG2 VAL 42 -8.503 -7.400 2.982 337 2HG2 VAL 42 2HG2 VAL 42 -8.261 -9.121 2.629 338 3HG2 VAL 42 3HG2 VAL 42 -7.230 -8.310 3.835 339 H ALA 43 H ALA 43 -5.659 -6.062 -0.311 340 HA ALA 43 HA ALA 43 -2.896 -6.612 -0.441 341 1HB ALA 43 1HB ALA 43 -4.558 -4.752 -2.198 342 2HB ALA 43 2HB ALA 43 -3.016 -5.526 -2.606 343 3HB ALA 43 3HB ALA 43 -4.463 -6.522 -2.378 344 H LEU 44 H LEU 44 -4.601 -3.635 0.271 345 HA LEU 44 HA LEU 44 -2.443 -1.766 0.276 346 1HB LEU 44 1HB LEU 44 -5.226 -1.851 1.394 347 2HB LEU 44 2HB LEU 44 -4.169 -0.583 1.898 348 HG LEU 44 HG LEU 44 -4.903 -1.123 -1.000 349 1HD1 LEU 44 1HD1 LEU 44 -5.816 1.047 0.960 350 2HD1 LEU 44 2HD1 LEU 44 -6.321 0.881 -0.732 351 3HD1 LEU 44 3HD1 LEU 44 -6.792 -0.344 0.434 352 1HD2 LEU 44 1HD2 LEU 44 -3.421 1.261 0.210 353 2HD2 LEU 44 2HD2 LEU 44 -2.676 0.003 -0.800 354 3HD2 LEU 44 3HD2 LEU 44 -3.900 1.039 -1.490 355 H ASN 45 H ASN 45 -3.766 -3.946 2.797 356 HA ASN 45 HA ASN 45 -1.870 -2.652 4.714 357 1HB ASN 45 1HB ASN 45 -4.417 -4.209 5.155 358 2HB ASN 45 2HB ASN 45 -3.243 -3.871 6.422 359 1HD2 ASN 45 1HD2 ASN 45 -5.545 -2.336 4.222 360 2HD2 ASN 45 2HD2 ASN 45 -5.620 -0.810 5.145 361 H ALA 46 H ALA 46 -1.188 -4.644 2.471 362 HA ALA 46 HA ALA 46 0.341 -6.351 4.289 363 1HB ALA 46 1HB ALA 46 0.120 -8.208 2.653 364 2HB ALA 46 2HB ALA 46 -1.467 -7.760 3.306 365 3HB ALA 46 3HB ALA 46 -1.001 -7.219 1.685 366 H TRP 47 H TRP 47 2.359 -6.984 3.467 367 HA TRP 47 HA TRP 47 3.385 -5.342 1.191 368 1HB TRP 47 1HB TRP 47 5.575 -5.477 2.149 369 2HB TRP 47 2HB TRP 47 4.471 -4.633 3.203 370 HD1 TRP 47 HD TRP 47 3.904 -5.809 5.585 371 HE1 TRP 47 1HE TRP 47 5.373 -7.427 7.024 372 HE3 TRP 47 3HE TRP 47 6.927 -7.764 1.925 373 HZ2 TRP 47 2HZ TRP 47 7.669 -9.025 6.686 374 HZ3 TRP 47 3HZ TRP 47 8.628 -9.480 2.525 375 HH2 TRP 47 HH TRP 47 8.978 -10.121 4.871 376 H LYS 48 H LYS 48 4.760 -6.556 -0.319 377 HA LYS 48 HA LYS 48 3.720 -9.328 -0.453 378 1HB LYS 48 1HB LYS 48 2.926 -7.738 -2.135 379 2HB LYS 48 2HB LYS 48 4.536 -7.362 -2.591 380 1HG LYS 48 1HG LYS 48 4.553 -10.088 -2.936 381 2HG LYS 48 2HG LYS 48 2.861 -9.700 -3.242 382 1HD LYS 48 1HD LYS 48 3.473 -9.253 -5.355 383 2HD LYS 48 2HD LYS 48 4.260 -7.791 -4.771 384 1HE LYS 48 1HE LYS 48 5.595 -10.515 -5.019 385 2HE LYS 48 2HE LYS 48 5.677 -9.230 -6.228 386 1HZ LYS 48 1HZ LYS 48 6.691 -7.817 -4.519 387 2HZ LYS 48 2HZ LYS 48 6.783 -9.063 -3.477 388 3HZ LYS 48 3HZ LYS 48 7.615 -9.097 -4.926 389 H GLU 49 H GLU 49 5.143 -10.687 0.407 390 HA GLU 49 HA GLU 49 8.027 -10.481 -0.178 391 1HB GLU 49 1HB GLU 49 7.348 -11.345 2.015 392 2HB GLU 49 2HB GLU 49 6.234 -12.477 1.268 393 1HG GLU 49 1HG GLU 49 8.114 -13.738 0.290 394 2HG GLU 49 2HG GLU 49 9.258 -12.586 1.004 395 H GLU 50 H GLU 50 8.946 -11.967 -1.772 396 HA GLU 50 HA GLU 50 7.069 -13.586 -3.349 397 1HB GLU 50 1HB GLU 50 7.004 -11.918 -4.806 398 2HB GLU 50 2HB GLU 50 8.473 -11.147 -4.277 399 1HG GLU 50 1HG GLU 50 8.585 -13.745 -5.858 400 2HG GLU 50 2HG GLU 50 8.263 -12.223 -6.663 401 H SER 51 H SER 51 7.881 -15.469 -3.787 402 HA SER 51 HA SER 51 10.623 -16.183 -2.937 403 1HB SER 51 1HB SER 51 7.921 -17.361 -2.486 404 2HB SER 51 2HB SER 51 9.041 -18.499 -3.228 405 HG SER 51 HG SER 51 9.830 -16.906 -1.005 406 H ASP 52 H ASP 52 11.312 -18.096 -4.361 407 HA ASP 52 HA ASP 52 11.845 -17.176 -6.841 408 1HB ASP 52 1HB ASP 52 12.716 -19.252 -5.474 409 2HB ASP 52 2HB ASP 52 11.581 -20.161 -6.466 410 H ASN 53 H ASN 53 8.992 -19.112 -6.045 411 HA ASN 53 HA ASN 53 7.883 -18.565 -8.737 412 1HB ASN 53 1HB ASN 53 7.027 -20.714 -8.816 413 2HB ASN 53 2HB ASN 53 8.697 -20.951 -8.326 414 1HD2 ASN 53 1HD2 ASN 53 6.280 -22.745 -7.945 415 2HD2 ASN 53 2HD2 ASN 53 6.069 -22.934 -6.232 416 H ALA 54 H ALA 54 7.314 -17.776 -5.460 417 HA ALA 54 HA ALA 54 4.349 -17.871 -5.851 418 1HB ALA 54 1HB ALA 54 5.028 -19.849 -4.513 419 2HB ALA 54 2HB ALA 54 5.874 -18.781 -3.370 420 3HB ALA 54 3HB ALA 54 4.115 -18.693 -3.526 421 H VAL 55 H VAL 55 3.269 -16.564 -3.950 422 HA VAL 55 HA VAL 55 4.875 -14.166 -3.298 423 HB VAL 55 HB VAL 55 2.247 -14.184 -4.842 424 1HG1 VAL 55 1HG1 VAL 55 2.559 -11.686 -4.883 425 2HG1 VAL 55 2HG1 VAL 55 2.207 -12.311 -3.266 426 3HG1 VAL 55 3HG1 VAL 55 3.877 -11.910 -3.721 427 1HG2 VAL 55 1HG2 VAL 55 4.252 -14.542 -6.307 428 2HG2 VAL 55 2HG2 VAL 55 3.582 -12.933 -6.563 429 3HG2 VAL 55 3HG2 VAL 55 5.041 -13.146 -5.572 430 H CYS 56 H CYS 56 4.628 -13.738 -1.263 431 HA CYS 56 HA CYS 56 2.272 -14.802 0.263 432 1HB CYS 56 1HB CYS 56 5.001 -14.188 1.421 433 2HB CYS 56 2HB CYS 56 3.696 -15.086 2.176 434 HG CYS 56 HG CYS 56 5.966 -16.433 1.372 435 H LEU 57 H LEU 57 0.867 -13.101 0.685 436 HA LEU 57 HA LEU 57 1.966 -10.394 0.973 437 1HB LEU 57 1HB LEU 57 -0.807 -11.523 0.661 438 2HB LEU 57 2HB LEU 57 -0.610 -9.910 1.335 439 HG LEU 57 HG LEU 57 0.684 -10.773 -1.280 440 1HD1 LEU 57 1HD1 LEU 57 -1.003 -9.717 -2.488 441 2HD1 LEU 57 2HD1 LEU 57 -1.863 -10.735 -1.311 442 3HD1 LEU 57 3HD1 LEU 57 -1.748 -8.984 -1.042 443 1HD2 LEU 57 1HD2 LEU 57 1.680 -8.718 -0.146 444 2HD2 LEU 57 2HD2 LEU 57 0.960 -8.444 -1.715 445 3HD2 LEU 57 3HD2 LEU 57 0.102 -7.950 -0.241 446 H HIS 58 H HIS 58 2.865 -9.952 2.745 447 HA HIS 58 HA HIS 58 2.188 -11.103 5.364 448 1HB HIS 58 1HB HIS 58 4.140 -9.042 4.295 449 2HB HIS 58 2HB HIS 58 3.920 -9.299 6.012 450 HD1 HIS 58 HD1 HIS 58 5.873 -10.640 6.868 451 HD2 HIS 58 HD2 HIS 58 4.600 -11.742 3.007 452 HE1 HIS 58 HE1 HIS 58 7.325 -12.682 6.112 453 HE2 HIS 58 HE2 HIS 58 6.536 -13.323 3.787 454 H LEU 59 H LEU 59 0.128 -10.499 5.859 455 HA LEU 59 HA LEU 59 -0.783 -7.737 5.467 456 1HB LEU 59 1HB LEU 59 -2.161 -9.738 4.834 457 2HB LEU 59 2HB LEU 59 -2.130 -10.257 6.512 458 HG LEU 59 HG LEU 59 -3.124 -7.594 6.661 459 1HD1 LEU 59 1HD1 LEU 59 -4.503 -9.119 4.429 460 2HD1 LEU 59 2HD1 LEU 59 -5.027 -7.576 5.143 461 3HD1 LEU 59 3HD1 LEU 59 -3.530 -7.645 4.204 462 1HD2 LEU 59 1HD2 LEU 59 -4.405 -10.340 6.654 463 2HD2 LEU 59 2HD2 LEU 59 -3.877 -9.387 8.057 464 3HD2 LEU 59 3HD2 LEU 59 -5.285 -8.853 7.096 465 H ARG 60 H ARG 60 -0.804 -6.294 7.006 466 HA ARG 60 HA ARG 60 0.271 -6.562 9.601 467 1HB ARG 60 1HB ARG 60 -1.796 -4.580 8.558 468 2HB ARG 60 2HB ARG 60 -0.878 -4.379 10.035 469 1HG ARG 60 1HG ARG 60 0.421 -4.601 7.280 470 2HG ARG 60 2HG ARG 60 0.019 -3.086 8.072 471 1HD ARG 60 1HD ARG 60 1.521 -3.729 9.988 472 2HD ARG 60 2HD ARG 60 1.939 -5.214 9.134 473 HE ARG 60 HE ARG 60 3.346 -4.082 7.785 474 1HH1 ARG 60 2HH2 ARG 60 1.255 -1.622 9.362 475 2HH1 ARG 60 1HH2 ARG 60 2.260 -0.300 8.895 476 1HH2 ARG 60 2HH1 ARG 60 4.637 -2.259 7.096 477 2HH2 ARG 60 1HH1 ARG 60 4.309 -0.711 7.741 478 H SER 61 H SER 61 -0.498 -7.316 11.459 479 HA SER 61 HA SER 61 -2.813 -8.936 11.577 480 1HB SER 61 1HB SER 61 -0.811 -9.196 12.977 481 2HB SER 61 2HB SER 61 -1.205 -7.689 13.825 482 HG SER 61 HG SER 61 -2.086 -10.201 14.232 483 H SER 62 H SER 62 -2.380 -5.451 12.146 484 HA SER 62 HA SER 62 -4.763 -5.005 13.642 485 1HB SER 62 1HB SER 62 -3.191 -3.227 11.727 486 2HB SER 62 2HB SER 62 -4.519 -2.661 12.771 487 HG SER 62 HG SER 62 -2.226 -2.574 13.632 488 H GLN 63 H GLN 63 -4.254 -5.759 10.271 489 HA GLN 63 HA GLN 63 -7.179 -5.333 9.772 490 1HB GLN 63 1HB GLN 63 -5.012 -5.481 7.657 491 2HB GLN 63 2HB GLN 63 -6.732 -5.202 7.410 492 1HG GLN 63 1HG GLN 63 -4.646 -3.334 8.419 493 2HG GLN 63 2HG GLN 63 -5.926 -3.096 7.217 494 1HE2 GLN 63 1HE2 GLN 63 -4.954 -1.905 10.048 495 2HE2 GLN 63 2HE2 GLN 63 -6.507 -1.496 10.760 496 H ARG 64 H ARG 64 -5.328 -7.817 10.815 497 HA ARG 64 HA ARG 64 -5.985 -9.831 8.888 498 1HB ARG 64 1HB ARG 64 -4.314 -10.130 10.576 499 2HB ARG 64 2HB ARG 64 -5.519 -10.195 11.858 500 1HG ARG 64 1HG ARG 64 -5.782 -12.070 9.496 501 2HG ARG 64 2HG ARG 64 -4.513 -12.392 10.665 502 1HD ARG 64 1HD ARG 64 -5.995 -12.745 12.442 503 2HD ARG 64 2HD ARG 64 -7.334 -11.916 11.638 504 HE ARG 64 HE ARG 64 -6.381 -14.289 10.250 505 1HH1 ARG 64 2HH2 ARG 64 -8.440 -13.209 12.935 506 2HH1 ARG 64 1HH2 ARG 64 -9.626 -14.455 12.744 507 1HH2 ARG 64 2HH1 ARG 64 -7.891 -16.030 10.041 508 2HH2 ARG 64 1HH1 ARG 64 -9.158 -16.217 11.224 509 H HIS 65 H HIS 65 -8.024 -8.175 11.205 510 HA HIS 65 HA HIS 65 -10.187 -9.989 11.208 511 1HB HIS 65 1HB HIS 65 -9.891 -7.809 12.530 512 2HB HIS 65 2HB HIS 65 -10.505 -6.973 11.104 513 HD1 HIS 65 HD1 HIS 65 -13.113 -7.994 10.324 514 HD2 HIS 65 HD2 HIS 65 -11.625 -8.717 14.221 515 HE1 HIS 65 HE1 HIS 65 -15.133 -8.627 11.803 516 HE2 HIS 65 HE2 HIS 65 -14.219 -9.009 14.180 517 H LEU 66 H LEU 66 -9.054 -7.819 8.590 518 HA LEU 66 HA LEU 66 -11.446 -8.097 6.957 519 1HB LEU 66 1HB LEU 66 -8.599 -7.161 6.325 520 2HB LEU 66 2HB LEU 66 -9.813 -7.363 5.104 521 HG LEU 66 HG LEU 66 -9.533 -5.035 5.690 522 1HD1 LEU 66 1HD1 LEU 66 -11.890 -4.453 5.906 523 2HD1 LEU 66 2HD1 LEU 66 -11.640 -5.817 4.805 524 3HD1 LEU 66 3HD1 LEU 66 -12.277 -6.096 6.441 525 1HD2 LEU 66 1HD2 LEU 66 -8.988 -5.267 8.109 526 2HD2 LEU 66 2HD2 LEU 66 -10.292 -4.106 7.825 527 3HD2 LEU 66 3HD2 LEU 66 -10.676 -5.714 8.432 528 H ASN 67 H ASN 67 -8.321 -9.741 7.280 529 HA ASN 67 HA ASN 67 -8.032 -11.065 4.908 530 1HB ASN 67 1HB ASN 67 -6.382 -11.060 6.742 531 2HB ASN 67 2HB ASN 67 -7.380 -12.196 7.652 532 1HD2 ASN 67 1HD2 ASN 67 -5.501 -13.765 7.656 533 2HD2 ASN 67 2HD2 ASN 67 -5.211 -14.658 6.205 534 H ASN 68 H ASN 68 -9.496 -12.166 3.819 535 HA ASN 68 HA ASN 68 -10.635 -14.558 5.108 536 1HB ASN 68 1HB ASN 68 -12.823 -14.300 4.336 537 2HB ASN 68 2HB ASN 68 -12.419 -12.757 5.073 538 1HD2 ASN 68 1HD2 ASN 68 -13.506 -14.382 2.198 539 2HD2 ASN 68 2HD2 ASN 68 -13.579 -12.924 1.200 540 H ARG 69 H ARG 69 -10.836 -16.359 3.723 541 HA ARG 69 HA ARG 69 -8.815 -16.336 1.739 542 1HB ARG 69 1HB ARG 69 -9.961 -18.279 3.211 543 2HB ARG 69 2HB ARG 69 -10.782 -18.589 1.672 544 1HG ARG 69 1HG ARG 69 -8.519 -18.696 0.569 545 2HG ARG 69 2HG ARG 69 -7.764 -18.406 2.140 546 1HD ARG 69 1HD ARG 69 -8.789 -20.489 3.031 547 2HD ARG 69 2HD ARG 69 -9.548 -20.769 1.459 548 HE ARG 69 HE ARG 69 -7.442 -21.155 0.454 549 1HH1 ARG 69 2HH2 ARG 69 -6.999 -20.726 3.972 550 2HH1 ARG 69 1HH2 ARG 69 -5.551 -21.679 4.006 551 1HH2 ARG 69 2HH1 ARG 69 -5.452 -22.193 0.527 552 2HH2 ARG 69 1HH1 ARG 69 -4.607 -22.436 2.014 553 H GLY 70 H GLY 70 -12.322 -15.900 1.394 554 1HA GLY 70 1HA GLY 70 -12.416 -16.116 -1.426 555 2HA GLY 70 2HA GLY 70 -13.503 -15.127 -0.432 556 H ALA 71 H ALA 71 -11.209 -13.408 0.632 557 HA ALA 71 HA ALA 71 -11.050 -11.554 -1.600 558 1HB ALA 71 1HB ALA 71 -9.724 -11.582 1.143 559 2HB ALA 71 2HB ALA 71 -9.525 -10.290 -0.039 560 3HB ALA 71 3HB ALA 71 -11.131 -10.640 0.618 561 H GLN 72 H GLN 72 -8.820 -13.846 0.019 562 HA GLN 72 HA GLN 72 -6.532 -13.420 -1.538 563 1HB GLN 72 1HB GLN 72 -6.526 -14.765 0.445 564 2HB GLN 72 2HB GLN 72 -7.581 -15.962 -0.228 565 1HG GLN 72 1HG GLN 72 -4.868 -15.395 -1.456 566 2HG GLN 72 2HG GLN 72 -5.092 -16.523 -0.121 567 1HE2 GLN 72 1HE2 GLN 72 -4.056 -17.286 -2.688 568 2HE2 GLN 72 2HE2 GLN 72 -5.188 -18.412 -3.418 569 H GLN 73 H GLN 73 -9.450 -15.300 -2.315 570 HA GLN 73 HA GLN 73 -8.433 -16.624 -4.616 571 1HB GLN 73 1HB GLN 73 -10.582 -17.226 -3.538 572 2HB GLN 73 2HB GLN 73 -11.288 -15.696 -4.066 573 1HG GLN 73 1HG GLN 73 -10.876 -16.355 -6.460 574 2HG GLN 73 2HG GLN 73 -10.318 -17.928 -5.892 575 1HE2 GLN 73 1HE2 GLN 73 -12.920 -16.407 -7.189 576 2HE2 GLN 73 2HE2 GLN 73 -14.241 -17.354 -6.539 577 H LYS 74 H LYS 74 -10.224 -13.526 -4.330 578 HA LYS 74 HA LYS 74 -10.020 -13.076 -7.193 579 1HB LYS 74 1HB LYS 74 -11.665 -11.881 -5.459 580 2HB LYS 74 2HB LYS 74 -10.351 -10.680 -5.385 581 1HG LYS 74 1HG LYS 74 -10.373 -10.774 -7.978 582 2HG LYS 74 2HG LYS 74 -11.857 -11.713 -7.820 583 1HD LYS 74 1HD LYS 74 -12.821 -9.669 -6.562 584 2HD LYS 74 2HD LYS 74 -11.360 -8.796 -7.115 585 1HE LYS 74 1HE LYS 74 -11.859 -9.631 -9.454 586 2HE LYS 74 2HE LYS 74 -13.372 -10.305 -8.848 587 1HZ LYS 74 1HZ LYS 74 -13.764 -8.225 -9.875 588 2HZ LYS 74 2HZ LYS 74 -14.062 -8.008 -8.298 589 3HZ LYS 74 3HZ LYS 74 -12.649 -7.433 -8.983 590 H LEU 75 H LEU 75 -8.043 -12.101 -4.411 591 HA LEU 75 HA LEU 75 -6.188 -10.458 -5.798 592 1HB LEU 75 1HB LEU 75 -6.427 -11.557 -3.170 593 2HB LEU 75 2HB LEU 75 -4.918 -12.141 -3.732 594 HG LEU 75 HG LEU 75 -5.743 -9.233 -3.808 595 1HD1 LEU 75 1HD1 LEU 75 -4.339 -8.936 -1.785 596 2HD1 LEU 75 2HD1 LEU 75 -5.737 -9.987 -1.508 597 3HD1 LEU 75 3HD1 LEU 75 -4.128 -10.700 -1.712 598 1HD2 LEU 75 1HD2 LEU 75 -2.889 -10.131 -3.871 599 2HD2 LEU 75 2HD2 LEU 75 -3.837 -9.896 -5.359 600 3HD2 LEU 75 3HD2 LEU 75 -3.583 -8.555 -4.233 601 H ALA 76 H ALA 76 -6.334 -14.023 -5.361 602 HA ALA 76 HA ALA 76 -3.844 -14.600 -6.586 603 1HB ALA 76 1HB ALA 76 -6.291 -16.396 -6.298 604 2HB ALA 76 2HB ALA 76 -4.631 -16.911 -6.646 605 3HB ALA 76 3HB ALA 76 -5.013 -16.170 -5.082 606 H GLU 77 H GLU 77 -7.160 -14.642 -7.924 607 HA GLU 77 HA GLU 77 -6.435 -15.367 -10.571 608 1HB GLU 77 1HB GLU 77 -8.744 -15.335 -9.666 609 2HB GLU 77 2HB GLU 77 -8.673 -13.579 -9.483 610 1HG GLU 77 1HG GLU 77 -8.481 -13.302 -11.928 611 2HG GLU 77 2HG GLU 77 -8.452 -15.059 -12.133 612 H ALA 78 H ALA 78 -6.587 -12.161 -8.979 613 HA ALA 78 HA ALA 78 -6.071 -10.681 -11.386 614 1HB ALA 78 1HB ALA 78 -5.695 -9.867 -8.468 615 2HB ALA 78 2HB ALA 78 -5.763 -8.779 -9.883 616 3HB ALA 78 3HB ALA 78 -7.188 -9.711 -9.409 617 H LEU 79 H LEU 79 -3.842 -11.569 -8.604 618 HA LEU 79 HA LEU 79 -1.532 -10.509 -9.830 619 1HB LEU 79 1HB LEU 79 -2.206 -11.666 -7.422 620 2HB LEU 79 2HB LEU 79 -1.171 -12.909 -8.107 621 HG LEU 79 HG LEU 79 -0.428 -9.954 -7.864 622 1HD1 LEU 79 1HD1 LEU 79 0.150 -12.316 -6.047 623 2HD1 LEU 79 2HD1 LEU 79 0.784 -10.664 -5.833 624 3HD1 LEU 79 3HD1 LEU 79 -0.952 -10.963 -5.694 625 1HD2 LEU 79 1HD2 LEU 79 1.006 -11.169 -9.500 626 2HD2 LEU 79 2HD2 LEU 79 1.896 -10.661 -8.068 627 3HD2 LEU 79 3HD2 LEU 79 1.409 -12.360 -8.243 628 H SER 80 H SER 80 -3.121 -13.705 -10.107 629 HA SER 80 HA SER 80 -1.045 -14.965 -11.622 630 1HB SER 80 1HB SER 80 -4.046 -15.378 -11.476 631 2HB SER 80 2HB SER 80 -3.004 -16.451 -12.388 632 HG SER 80 HG SER 80 -3.155 -15.943 -9.636 633 H MET 81 H MET 81 -3.863 -12.945 -12.569 634 HA MET 81 HA MET 81 -3.479 -13.281 -15.394 635 1HB MET 81 1HB MET 81 -5.626 -12.691 -14.404 636 2HB MET 81 2HB MET 81 -4.967 -11.183 -13.759 637 1HG MET 81 1HG MET 81 -4.697 -10.263 -15.967 638 2HG MET 81 2HG MET 81 -4.995 -11.834 -16.715 639 1HE MET 81 1HE MET 81 -6.615 -8.849 -14.686 640 2HE MET 81 2HE MET 81 -8.320 -9.337 -14.622 641 3HE MET 81 3HE MET 81 -7.111 -10.242 -13.699 642 H LEU 82 H LEU 82 -2.332 -10.939 -12.984 643 HA LEU 82 HA LEU 82 -0.990 -9.154 -14.825 644 1HB LEU 82 1HB LEU 82 -1.558 -8.319 -12.718 645 2HB LEU 82 2HB LEU 82 -0.884 -9.679 -11.847 646 HG LEU 82 HG LEU 82 1.154 -8.177 -13.412 647 1HD1 LEU 82 1HD1 LEU 82 -0.095 -6.785 -11.012 648 2HD1 LEU 82 2HD1 LEU 82 1.265 -6.239 -12.019 649 3HD1 LEU 82 3HD1 LEU 82 -0.356 -6.318 -12.706 650 1HD2 LEU 82 1HD2 LEU 82 2.428 -8.439 -11.337 651 2HD2 LEU 82 2HD2 LEU 82 0.967 -8.892 -10.438 652 3HD2 LEU 82 3HD2 LEU 82 1.629 -9.974 -11.673 653 H LYS 83 H LYS 83 0.153 -11.965 -12.882 654 HA LYS 83 HA LYS 83 2.840 -11.662 -13.893 655 1HB LYS 83 1HB LYS 83 1.984 -12.528 -11.592 656 2HB LYS 83 2HB LYS 83 1.773 -14.080 -12.379 657 1HG LYS 83 1HG LYS 83 4.022 -14.495 -12.385 658 2HG LYS 83 2HG LYS 83 4.435 -12.844 -12.877 659 1HD LYS 83 1HD LYS 83 4.070 -12.060 -10.536 660 2HD LYS 83 2HD LYS 83 3.694 -13.719 -10.058 661 1HE LYS 83 1HE LYS 83 5.971 -13.236 -9.444 662 2HE LYS 83 2HE LYS 83 5.973 -14.441 -10.734 663 1HZ LYS 83 1HZ LYS 83 7.619 -12.652 -10.981 664 2HZ LYS 83 2HZ LYS 83 6.650 -12.779 -12.276 665 3HZ LYS 83 3HZ LYS 83 6.421 -11.551 -11.180 666 H GLY 84 H GLY 84 0.080 -13.293 -15.196 667 1HA GLY 84 1HA GLY 84 -0.086 -14.464 -17.174 668 2HA GLY 84 2HA GLY 84 1.650 -14.272 -17.430 669 H SER 85 H SER 85 1.086 -15.595 -14.337 670 HA SER 85 HA SER 85 0.893 -18.389 -15.206 671 1HB SER 85 1HB SER 85 3.259 -17.199 -13.675 672 2HB SER 85 2HB SER 85 2.839 -18.917 -13.655 673 HG SER 85 HG SER 85 3.680 -17.349 -15.883 674 H THR 86 H THR 86 0.289 -19.776 -13.337 675 HA THR 86 HA THR 86 -1.483 -18.293 -11.598 676 HB THR 86 HB THR 86 -1.023 -21.192 -11.110 677 HG1 THR 86 1HG THR 86 -1.977 -20.252 -13.631 678 1HG2 THR 86 1HG2 THR 86 -2.912 -19.875 -10.139 679 2HG2 THR 86 2HG2 THR 86 -3.538 -19.601 -11.782 680 3HG2 THR 86 3HG2 THR 86 -3.459 -21.247 -11.112 681 H VAL 87 H VAL 87 -0.806 -17.425 -9.708 682 HA VAL 87 HA VAL 87 1.889 -18.095 -8.628 683 HB VAL 87 HB VAL 87 -0.098 -15.827 -8.091 684 1HG1 VAL 87 1HG1 VAL 87 2.820 -16.134 -7.278 685 2HG1 VAL 87 2HG1 VAL 87 1.826 -14.666 -7.088 686 3HG1 VAL 87 3HG1 VAL 87 1.415 -16.121 -6.183 687 1HG2 VAL 87 1HG2 VAL 87 2.407 -15.878 -9.835 688 2HG2 VAL 87 2HG2 VAL 87 0.736 -15.653 -10.383 689 3HG2 VAL 87 3HG2 VAL 87 1.486 -14.415 -9.399 690 H GLU 88 H GLU 88 2.177 -18.777 -6.405 691 HA GLU 88 HA GLU 88 -0.276 -19.867 -5.123 692 1HB GLU 88 1HB GLU 88 2.706 -20.293 -4.690 693 2HB GLU 88 2HB GLU 88 1.540 -20.566 -3.401 694 1HG GLU 88 1HG GLU 88 0.314 -21.998 -5.351 695 2HG GLU 88 2HG GLU 88 1.989 -22.131 -5.907 696 H LEU 89 H LEU 89 -1.156 -17.858 -4.849 697 HA LEU 89 HA LEU 89 0.314 -15.766 -3.435 698 1HB LEU 89 1HB LEU 89 -0.968 -15.089 -5.287 699 2HB LEU 89 2HB LEU 89 -2.427 -15.876 -4.663 700 HG LEU 89 HG LEU 89 -2.598 -14.297 -2.816 701 1HD1 LEU 89 1HD1 LEU 89 -0.294 -13.672 -2.265 702 2HD1 LEU 89 2HD1 LEU 89 -0.127 -12.874 -3.862 703 3HD1 LEU 89 3HD1 LEU 89 -1.272 -12.275 -2.663 704 1HD2 LEU 89 1HD2 LEU 89 -3.641 -13.646 -4.701 705 2HD2 LEU 89 2HD2 LEU 89 -2.766 -12.185 -4.294 706 3HD2 LEU 89 3HD2 LEU 89 -2.175 -13.197 -5.611 707 H THR 90 H THR 90 0.430 -15.896 -1.272 708 HA THR 90 HA THR 90 -1.907 -16.983 0.260 709 HB THR 90 HB THR 90 1.066 -16.973 0.897 710 HG1 THR 90 1HG THR 90 1.001 -18.699 -0.246 711 1HG2 THR 90 1HG2 THR 90 0.458 -18.599 2.696 712 2HG2 THR 90 2HG2 THR 90 -0.062 -16.956 3.018 713 3HG2 THR 90 3HG2 THR 90 -1.251 -18.163 2.469 714 H ILE 91 H ILE 91 -2.039 -16.039 2.443 715 HA ILE 91 HA ILE 91 -1.307 -13.192 2.621 716 HB ILE 91 HB ILE 91 -3.916 -14.241 3.752 717 1HG1 ILE 91 1HG1 ILE 91 -4.203 -14.561 1.331 718 2HG1 ILE 91 2HG1 ILE 91 -5.293 -13.408 2.060 719 1HG2 ILE 91 1HG2 ILE 91 -4.479 -11.811 3.804 720 2HG2 ILE 91 2HG2 ILE 91 -3.028 -12.219 4.739 721 3HG2 ILE 91 3HG2 ILE 91 -2.866 -11.450 3.150 722 1HD1 ILE 91 1HD1 ILE 91 -2.862 -12.653 0.404 723 2HD1 ILE 91 2HD1 ILE 91 -4.549 -12.669 -0.146 724 3HD1 ILE 91 3HD1 ILE 91 -4.050 -11.522 1.104 725 H VAL 92 H VAL 92 -0.045 -13.121 4.490 726 HA VAL 92 HA VAL 92 -0.439 -15.267 6.510 727 HB VAL 92 HB VAL 92 1.875 -15.206 7.062 728 1HG1 VAL 92 1HG1 VAL 92 2.867 -16.311 5.150 729 2HG1 VAL 92 2HG1 VAL 92 1.165 -16.778 5.266 730 3HG1 VAL 92 3HG1 VAL 92 1.691 -15.585 4.045 731 1HG2 VAL 92 1HG2 VAL 92 2.532 -12.925 6.515 732 2HG2 VAL 92 2HG2 VAL 92 3.594 -14.063 5.694 733 3HG2 VAL 92 3HG2 VAL 92 2.319 -13.253 4.767 734 H GLU 93 H GLU 93 -0.270 -14.475 8.740 735 HA GLU 93 HA GLU 93 -1.031 -11.615 8.907 736 1HB GLU 93 1HB GLU 93 -2.308 -13.351 10.239 737 2HB GLU 93 2HB GLU 93 -0.825 -13.662 11.164 738 1HG GLU 93 1HG GLU 93 -0.766 -11.086 11.571 739 2HG GLU 93 2HG GLU 93 -2.396 -11.065 10.932 740 H ASP 94 H ASP 94 0.567 -10.151 9.223 741 HA ASP 94 HA ASP 94 3.053 -10.915 10.638 742 1HB ASP 94 1HB ASP 94 3.229 -11.200 8.134 743 2HB ASP 94 2HB ASP 94 2.955 -9.460 7.989 744 H ASP 95 H ASP 95 2.413 -9.713 12.359 745 HA ASP 95 HA ASP 95 1.220 -7.065 12.242 746 1HB ASP 95 1HB ASP 95 1.589 -7.035 14.681 747 2HB ASP 95 2HB ASP 95 0.847 -8.551 14.187 748 H ASN 96 H ASN 96 4.495 -8.233 12.119 749 HA ASN 96 HA ASN 96 5.770 -5.921 13.249 750 1HB ASN 96 1HB ASN 96 6.803 -8.175 13.111 751 2HB ASN 96 2HB ASN 96 6.869 -8.032 11.346 752 1HD2 ASN 96 1HD2 ASN 96 9.253 -8.524 12.496 753 2HD2 ASN 96 2HD2 ASN 96 10.230 -7.062 12.450 754 HA PRO 97 HA PRO 97 5.032 -3.613 9.380 755 1HB PRO 97 1HB PRO 97 5.638 -1.107 10.181 756 2HB PRO 97 2HB PRO 97 4.226 -1.989 10.842 757 1HG PRO 97 1HG PRO 97 7.004 -1.794 12.060 758 2HG PRO 97 2HG PRO 97 5.437 -1.358 12.826 759 1HD PRO 97 1HD PRO 97 6.570 -3.813 13.137 760 2HD PRO 97 2HD PRO 97 4.799 -3.616 13.010 761 H ALA 98 H ALA 98 7.323 -5.172 9.687 762 HA ALA 98 HA ALA 98 9.829 -3.920 9.501 763 1HB ALA 98 1HB ALA 98 9.600 -6.300 10.033 764 2HB ALA 98 2HB ALA 98 8.920 -6.625 8.419 765 3HB ALA 98 3HB ALA 98 10.609 -6.119 8.594 766 H VAL 99 H VAL 99 7.436 -4.126 7.164 767 HA VAL 99 HA VAL 99 9.099 -2.797 5.121 768 HB VAL 99 HB VAL 99 7.290 -5.146 4.572 769 1HG1 VAL 99 1HG1 VAL 99 8.969 -3.507 2.646 770 2HG1 VAL 99 2HG1 VAL 99 8.111 -5.005 2.236 771 3HG1 VAL 99 3HG1 VAL 99 7.191 -3.583 2.705 772 1HG2 VAL 99 1HG2 VAL 99 9.352 -6.308 3.740 773 2HG2 VAL 99 2HG2 VAL 99 10.321 -4.976 4.411 774 3HG2 VAL 99 3HG2 VAL 99 9.360 -6.033 5.471 775 H ARG 100 H ARG 100 7.811 -1.342 3.876 776 HA ARG 100 HA ARG 100 5.348 -0.409 5.188 777 1HB ARG 100 1HB ARG 100 6.877 0.596 2.757 778 2HB ARG 100 2HB ARG 100 5.456 1.356 3.441 779 1HG ARG 100 1HG ARG 100 6.996 2.692 4.343 780 2HG ARG 100 2HG ARG 100 6.972 1.516 5.641 781 1HD ARG 100 1HD ARG 100 8.965 1.283 3.341 782 2HD ARG 100 2HD ARG 100 9.228 2.471 4.614 783 HE ARG 100 HE ARG 100 8.906 0.337 6.143 784 1HH1 ARG 100 2HH2 ARG 100 11.146 0.875 3.369 785 2HH1 ARG 100 1HH2 ARG 100 12.055 -0.549 3.722 786 1HH2 ARG 100 2HH1 ARG 100 10.463 -1.266 6.776 787 2HH2 ARG 100 1HH1 ARG 100 11.706 -1.725 5.675 788 H THR 101 H THR 101 3.282 -0.951 4.419 789 HA THR 101 HA THR 101 2.962 -2.761 2.145 790 HB THR 101 HB THR 101 0.678 -2.842 2.905 791 HG1 THR 101 1HG THR 101 -0.229 -1.218 3.684 792 1HG2 THR 101 1HG2 THR 101 2.323 -3.997 4.424 793 2HG2 THR 101 2HG2 THR 101 2.285 -2.564 5.470 794 3HG2 THR 101 3HG2 THR 101 0.814 -3.500 5.211 795 HA PRO 102 HA PRO 102 2.097 0.524 -0.706 796 1HB PRO 102 1HB PRO 102 -0.105 -0.101 -2.203 797 2HB PRO 102 2HB PRO 102 1.487 -0.922 -2.274 798 1HG PRO 102 1HG PRO 102 -0.974 -1.899 -1.004 799 2HG PRO 102 2HG PRO 102 0.282 -2.786 -1.865 800 1HD PRO 102 1HD PRO 102 0.100 -2.571 0.926 801 2HD PRO 102 2HD PRO 102 1.599 -2.974 0.066 802 H LEU 103 H LEU 103 -0.020 0.199 1.866 803 HA LEU 103 HA LEU 103 -1.506 2.720 1.297 804 1HB LEU 103 1HB LEU 103 -2.553 0.644 2.407 805 2HB LEU 103 2HB LEU 103 -1.667 1.078 3.859 806 HG LEU 103 HG LEU 103 -3.669 2.831 2.349 807 1HD1 LEU 103 1HD1 LEU 103 -4.771 0.937 3.409 808 2HD1 LEU 103 2HD1 LEU 103 -3.942 1.273 4.942 809 3HD1 LEU 103 3HD1 LEU 103 -5.147 2.413 4.295 810 1HD2 LEU 103 1HD2 LEU 103 -3.653 4.179 4.556 811 2HD2 LEU 103 2HD2 LEU 103 -2.138 3.341 4.920 812 3HD2 LEU 103 3HD2 LEU 103 -2.268 4.387 3.492 813 H GLU 104 H GLU 104 0.710 1.163 3.666 814 HA GLU 104 HA GLU 104 1.406 3.488 5.120 815 1HB GLU 104 1HB GLU 104 2.832 0.859 4.626 816 2HB GLU 104 2HB GLU 104 3.340 2.021 5.843 817 1HG GLU 104 1HG GLU 104 0.501 0.901 5.866 818 2HG GLU 104 2HG GLU 104 1.850 -0.023 6.495 819 H TRP 105 H TRP 105 2.668 2.121 2.069 820 HA TRP 105 HA TRP 105 4.915 3.889 1.855 821 1HB TRP 105 1HB TRP 105 3.547 1.949 0.040 822 2HB TRP 105 2HB TRP 105 4.319 3.313 -0.742 823 HD1 TRP 105 HD TRP 105 5.206 -0.017 0.026 824 HE1 TRP 105 1HE TRP 105 7.768 -0.317 0.223 825 HE3 TRP 105 3HE TRP 105 6.612 4.903 0.371 826 HZ2 TRP 105 2HZ TRP 105 10.058 1.357 0.734 827 HZ3 TRP 105 3HZ TRP 105 8.922 5.500 0.939 828 HH2 TRP 105 HH TRP 105 10.659 3.746 1.087 829 H ARG 106 H ARG 106 1.573 3.998 0.475 830 HA ARG 106 HA ARG 106 1.836 6.525 -0.778 831 1HB ARG 106 1HB ARG 106 -0.114 4.975 -1.026 832 2HB ARG 106 2HB ARG 106 -0.609 5.350 0.627 833 1HG ARG 106 1HG ARG 106 -0.770 7.758 -0.040 834 2HG ARG 106 2HG ARG 106 -0.527 7.284 -1.727 835 1HD ARG 106 1HD ARG 106 -2.749 6.091 -0.009 836 2HD ARG 106 2HD ARG 106 -2.914 7.683 -0.723 837 HE ARG 106 HE ARG 106 -3.084 6.853 -2.845 838 1HH1 ARG 106 2HH2 ARG 106 -2.137 4.039 -0.891 839 2HH1 ARG 106 1HH2 ARG 106 -3.238 2.966 -1.707 840 1HH2 ARG 106 2HH1 ARG 106 -4.483 5.305 -4.000 841 2HH2 ARG 106 1HH1 ARG 106 -4.501 3.689 -3.434 842 H GLN 107 H GLN 107 0.949 5.746 2.566 843 HA GLN 107 HA GLN 107 0.731 8.414 3.535 844 1HB GLN 107 1HB GLN 107 0.024 6.175 4.638 845 2HB GLN 107 2HB GLN 107 1.712 5.980 5.087 846 1HG GLN 107 1HG GLN 107 0.945 6.963 6.985 847 2HG GLN 107 2HG GLN 107 1.385 8.433 6.123 848 1HE2 GLN 107 1HE2 GLN 107 -1.179 6.571 7.519 849 2HE2 GLN 107 2HE2 GLN 107 -2.522 7.650 7.064 850 H ALA 108 H ALA 108 3.529 6.148 3.412 851 HA ALA 108 HA ALA 108 5.378 7.821 4.760 852 1HB ALA 108 1HB ALA 108 5.856 5.414 4.412 853 2HB ALA 108 2HB ALA 108 5.919 5.679 2.653 854 3HB ALA 108 3HB ALA 108 7.130 6.414 3.696 855 H ILE 109 H ILE 109 4.583 7.535 1.303 856 HA ILE 109 HA ILE 109 6.617 9.280 0.369 857 HB ILE 109 HB ILE 109 4.118 7.998 -0.648 858 1HG1 ILE 109 1HG1 ILE 109 6.610 7.098 -0.381 859 2HG1 ILE 109 2HG1 ILE 109 5.622 6.626 -1.727 860 1HG2 ILE 109 1HG2 ILE 109 3.860 10.110 -1.732 861 2HG2 ILE 109 2HG2 ILE 109 5.524 10.100 -2.307 862 3HG2 ILE 109 3HG2 ILE 109 4.350 8.879 -2.879 863 1HD1 ILE 109 1HD1 ILE 109 8.000 7.319 -2.299 864 2HD1 ILE 109 2HD1 ILE 109 6.747 8.165 -3.212 865 3HD1 ILE 109 3HD1 ILE 109 7.567 8.968 -1.845 866 H TYR 110 H TYR 110 3.522 9.997 1.850 867 HA TYR 110 HA TYR 110 3.483 12.779 0.951 868 1HB TYR 110 1HB TYR 110 1.460 11.547 1.798 869 2HB TYR 110 2HB TYR 110 2.200 11.424 3.376 870 HD1 TYR 110 HD1 TYR 110 2.023 13.174 4.972 871 HD2 TYR 110 HD2 TYR 110 1.054 13.885 0.828 872 HE1 TYR 110 HE1 TYR 110 0.969 15.294 5.581 873 HE2 TYR 110 HE2 TYR 110 -0.040 16.018 1.421 874 HH TYR 110 HH TYR 110 -0.723 17.353 3.139 875 H GLU 111 H GLU 111 4.511 10.924 3.800 876 HA GLU 111 HA GLU 111 5.595 13.156 5.234 877 1HB GLU 111 1HB GLU 111 4.693 10.956 6.142 878 2HB GLU 111 2HB GLU 111 6.198 10.194 5.605 879 1HG GLU 111 1HG GLU 111 7.495 11.755 6.987 880 2HG GLU 111 2HG GLU 111 6.036 12.613 7.457 881 H GLU 112 H GLU 112 7.025 10.947 2.728 882 HA GLU 112 HA GLU 112 9.692 11.498 3.199 883 1HB GLU 112 1HB GLU 112 8.039 10.894 0.720 884 2HB GLU 112 2HB GLU 112 9.742 11.135 0.655 885 1HG GLU 112 1HG GLU 112 9.241 9.225 2.759 886 2HG GLU 112 2HG GLU 112 8.312 8.734 1.376 887 H LYS 113 H LYS 113 7.139 13.509 1.768 888 HA LYS 113 HA LYS 113 9.052 15.513 0.798 889 1HB LYS 113 1HB LYS 113 6.242 15.002 0.412 890 2HB LYS 113 2HB LYS 113 6.423 16.624 1.069 891 1HG LYS 113 1HG LYS 113 6.450 16.717 -1.336 892 2HG LYS 113 2HG LYS 113 8.041 17.191 -0.719 893 1HD LYS 113 1HD LYS 113 9.003 15.045 -1.346 894 2HD LYS 113 2HD LYS 113 7.398 14.375 -1.689 895 1HE LYS 113 1HE LYS 113 7.109 16.018 -3.526 896 2HE LYS 113 2HE LYS 113 8.717 16.680 -3.191 897 1HZ LYS 113 1HZ LYS 113 8.209 13.877 -3.976 898 2HZ LYS 113 2HZ LYS 113 8.676 15.052 -5.019 899 3HZ LYS 113 3HZ LYS 113 9.681 14.592 -3.796 900 H LEU 114 H LEU 114 7.617 14.762 3.843 901 HA LEU 114 HA LEU 114 8.132 17.459 4.981 902 1HB LEU 114 1HB LEU 114 7.149 14.836 6.213 903 2HB LEU 114 2HB LEU 114 7.488 16.266 7.143 904 HG LEU 114 HG LEU 114 5.427 16.168 4.907 905 1HD1 LEU 114 1HD1 LEU 114 4.740 14.665 6.696 906 2HD1 LEU 114 2HD1 LEU 114 5.052 15.909 7.913 907 3HD1 LEU 114 3HD1 LEU 114 3.741 16.122 6.730 908 1HD2 LEU 114 1HD2 LEU 114 5.969 18.241 7.083 909 2HD2 LEU 114 2HD2 LEU 114 6.223 18.468 5.348 910 3HD2 LEU 114 3HD2 LEU 114 4.585 18.267 5.973 911 H ALA 115 H ALA 115 9.364 14.110 5.024 912 HA ALA 115 HA ALA 115 11.482 14.579 6.888 913 1HB ALA 115 1HB ALA 115 12.222 12.327 6.164 914 2HB ALA 115 2HB ALA 115 10.470 12.334 6.453 915 3HB ALA 115 3HB ALA 115 11.103 12.384 4.793 916 H GLN 116 H GLN 116 11.295 14.642 3.290 917 HA GLN 116 HA GLN 116 14.110 15.110 3.030 918 1HB GLN 116 1HB GLN 116 13.781 15.540 0.752 919 2HB GLN 116 2HB GLN 116 12.697 14.243 1.209 920 1HG GLN 116 1HG GLN 116 11.122 15.361 0.131 921 2HG GLN 116 2HG GLN 116 11.043 16.433 1.530 922 1HE2 GLN 116 1HE2 GLN 116 13.507 18.008 1.058 923 2HE2 GLN 116 2HE2 GLN 116 13.163 18.924 -0.378 924 H ALA 117 H ALA 117 11.617 17.163 4.265 925 HA ALA 117 HA ALA 117 13.007 19.639 3.529 926 1HB ALA 117 1HB ALA 117 10.527 19.540 4.051 927 2HB ALA 117 2HB ALA 117 10.977 19.310 5.765 928 3HB ALA 117 3HB ALA 117 11.456 20.780 4.914 929 H ARG 118 H ARG 118 13.648 17.089 5.700 930 HA ARG 118 HA ARG 118 15.485 18.736 7.303 931 1HB ARG 118 1HB ARG 118 13.665 17.303 8.448 932 2HB ARG 118 2HB ARG 118 14.457 15.878 7.781 933 1HG ARG 118 1HG ARG 118 16.538 16.482 8.979 934 2HG ARG 118 2HG ARG 118 15.721 17.901 9.655 935 1HD ARG 118 1HD ARG 118 13.993 16.297 10.639 936 2HD ARG 118 2HD ARG 118 15.042 14.959 10.150 937 HE ARG 118 HE ARG 118 15.362 16.818 12.345 938 1HH1 ARG 118 2HH2 ARG 118 17.286 14.728 10.153 939 2HH1 ARG 118 1HH2 ARG 118 18.730 14.867 11.115 940 1HH2 ARG 118 2HH1 ARG 118 17.211 16.915 13.591 941 2HH2 ARG 118 1HH1 ARG 118 18.741 16.353 12.949 942 H GLU 119 H GLU 119 15.115 15.742 5.438 943 HA GLU 119 HA GLU 119 17.860 15.113 5.283 944 1HB GLU 119 1HB GLU 119 15.550 13.852 4.746 945 2HB GLU 119 2HB GLU 119 16.044 14.198 3.099 946 1HG GLU 119 1HG GLU 119 18.108 12.996 3.333 947 2HG GLU 119 2HG GLU 119 17.974 12.949 5.095 948 H SER 120 H SER 120 16.197 17.702 3.872 949 HA SER 120 HA SER 120 17.637 18.042 1.457 950 1HB SER 120 1HB SER 120 17.178 20.528 1.927 951 2HB SER 120 2HB SER 120 15.782 19.465 1.739 952 HG SER 120 HG SER 120 15.649 20.899 3.529 953 H ILE 121 H ILE 121 18.376 18.943 4.877 954 HA ILE 121 HA ILE 121 20.952 20.098 4.256 955 HB ILE 121 HB ILE 121 19.927 18.742 6.773 956 1HG1 ILE 121 1HG1 ILE 121 18.577 20.715 6.196 957 2HG1 ILE 121 2HG1 ILE 121 19.506 20.957 7.663 958 1HG2 ILE 121 1HG2 ILE 121 22.437 20.400 6.394 959 2HG2 ILE 121 2HG2 ILE 121 21.688 20.086 7.979 960 3HG2 ILE 121 3HG2 ILE 121 22.289 18.743 7.000 961 1HD1 ILE 121 1HD1 ILE 121 20.174 22.130 4.934 962 2HD1 ILE 121 2HD1 ILE 121 19.533 22.989 6.346 963 3HD1 ILE 121 3HD1 ILE 121 21.168 22.331 6.395 964 H ILE 122 H ILE 122 19.821 16.781 4.471 965 HA ILE 122 HA ILE 122 22.523 15.617 4.515 966 HB ILE 122 HB ILE 122 19.824 14.303 4.174 967 1HG1 ILE 122 1HG1 ILE 122 19.712 15.408 6.313 968 2HG1 ILE 122 2HG1 ILE 122 19.956 13.699 6.590 969 1HG2 ILE 122 1HG2 ILE 122 20.945 12.260 5.066 970 2HG2 ILE 122 2HG2 ILE 122 21.491 12.746 3.481 971 3HG2 ILE 122 3HG2 ILE 122 22.507 13.092 4.896 972 1HD1 ILE 122 1HD1 ILE 122 22.018 15.923 6.856 973 2HD1 ILE 122 2HD1 ILE 122 21.311 14.929 8.144 974 3HD1 ILE 122 3HD1 ILE 122 22.414 14.198 6.968 975 H ALA 123 H ALA 123 20.436 17.001 2.157 976 HA ALA 123 HA ALA 123 21.517 15.520 -0.040 977 1HB ALA 123 1HB ALA 123 19.736 17.974 -0.128 978 2HB ALA 123 2HB ALA 123 20.130 16.878 -1.443 979 3HB ALA 123 3HB ALA 123 19.148 16.291 -0.086 980 H ASP 124 H ASP 124 21.613 18.741 1.437 981 HA ASP 124 HA ASP 124 23.658 19.975 -0.098 982 1HB ASP 124 1HB ASP 124 22.968 20.386 2.843 983 2HB ASP 124 2HB ASP 124 23.867 21.501 1.819 984 H ASN 125 H ASN 125 23.709 17.839 2.619 985 HA ASN 125 HA ASN 125 25.295 16.903 3.918 986 1HB ASN 125 1HB ASN 125 24.662 15.562 1.700 987 2HB ASN 125 2HB ASN 125 26.386 15.640 1.425 988 1HD2 ASN 125 1HD2 ASN 125 27.554 13.928 2.457 989 2HD2 ASN 125 2HD2 ASN 125 26.969 13.145 3.933 990 H ASN 126 H ASN 126 26.388 18.802 4.514 991 HA ASN 126 HA ASN 126 28.424 20.164 3.466 992 1HB ASN 126 1HB ASN 126 27.215 20.424 5.700 993 2HB ASN 126 2HB ASN 126 28.417 19.349 6.399 994 1HD2 ASN 126 1HD2 ASN 126 30.565 20.851 4.484 995 2HD2 ASN 126 2HD2 ASN 126 30.771 22.339 5.406 996 H ILE 127 H ILE 127 28.957 16.904 4.839 997 HA ILE 127 HA ILE 127 31.486 16.892 3.499 998 HB ILE 127 HB ILE 127 32.236 17.930 5.537 999 1HG1 ILE 127 1HG1 ILE 127 34.012 16.304 6.226 1000 2HG1 ILE 127 2HG1 ILE 127 33.225 15.090 5.216 1001 1HG2 ILE 127 1HG2 ILE 127 31.363 15.518 7.157 1002 2HG2 ILE 127 2HG2 ILE 127 32.211 16.961 7.720 1003 3HG2 ILE 127 3HG2 ILE 127 30.550 17.100 7.144 1004 1HD1 ILE 127 1HD1 ILE 127 34.289 17.758 4.206 1005 2HD1 ILE 127 2HD1 ILE 127 35.134 16.200 4.091 1006 3HD1 ILE 127 3HD1 ILE 127 33.622 16.441 3.209 1007 H GLN 128 H GLN 128 29.748 14.907 6.020 1008 HA GLN 128 HA GLN 128 29.135 12.895 4.062 1009 1HB GLN 128 1HB GLN 128 30.376 11.832 6.616 1010 2HB GLN 128 2HB GLN 128 29.856 11.011 5.188 1011 1HG GLN 128 1HG GLN 128 32.069 10.806 4.897 1012 2HG GLN 128 2HG GLN 128 31.802 12.266 3.968 1013 1HE2 GLN 128 1HE2 GLN 128 31.617 13.068 7.348 1014 2HE2 GLN 128 2HE2 GLN 128 33.316 13.482 7.535 Start of MODEL 11 1 1H MET 1 H MET 1 -10.038 7.532 -1.917 2 HA MET 1 HA MET 1 -9.334 8.682 0.676 3 1HB MET 1 1HB MET 1 -10.232 9.919 -1.965 4 2HB MET 1 2HB MET 1 -10.202 10.789 -0.437 5 1HG MET 1 1HG MET 1 -7.801 9.520 -1.783 6 2HG MET 1 2HG MET 1 -8.192 11.235 -1.765 7 1HE MET 1 1HE MET 1 -9.174 11.657 1.385 8 2HE MET 1 2HE MET 1 -7.618 12.208 2.022 9 3HE MET 1 3HE MET 1 -8.169 12.774 0.431 10 H LYS 2 H LYS 2 -10.921 8.646 2.179 11 HA LYS 2 HA LYS 2 -13.500 9.580 1.429 12 1HB LYS 2 1HB LYS 2 -13.240 6.789 2.653 13 2HB LYS 2 2HB LYS 2 -14.613 7.822 3.029 14 1HG LYS 2 1HG LYS 2 -15.038 8.024 0.516 15 2HG LYS 2 2HG LYS 2 -13.912 6.670 0.316 16 1HD LYS 2 1HD LYS 2 -16.402 6.652 2.087 17 2HD LYS 2 2HD LYS 2 -16.353 6.001 0.452 18 1HE LYS 2 1HE LYS 2 -14.461 5.035 2.641 19 2HE LYS 2 2HE LYS 2 -16.075 4.356 2.432 20 1HZ LYS 2 1HZ LYS 2 -14.252 3.152 1.248 21 2HZ LYS 2 2HZ LYS 2 -15.530 3.592 0.298 22 3HZ LYS 2 3HZ LYS 2 -14.122 4.400 0.206 23 H ALA 3 H ALA 3 -14.561 10.328 3.287 24 HA ALA 3 HA ALA 3 -14.726 10.393 5.768 25 1HB ALA 3 1HB ALA 3 -12.916 11.644 6.937 26 2HB ALA 3 2HB ALA 3 -12.366 10.085 6.340 27 3HB ALA 3 3HB ALA 3 -11.928 11.572 5.472 28 H LEU 4 H LEU 4 -14.739 12.784 6.786 29 HA LEU 4 HA LEU 4 -16.024 14.477 4.803 30 1HB LEU 4 1HB LEU 4 -16.236 14.139 7.590 31 2HB LEU 4 2HB LEU 4 -15.475 15.691 7.425 32 HG LEU 4 HG LEU 4 -17.774 16.054 7.515 33 1HD1 LEU 4 1HD1 LEU 4 -18.528 17.075 5.453 34 2HD1 LEU 4 2HD1 LEU 4 -16.842 17.464 5.741 35 3HD1 LEU 4 3HD1 LEU 4 -17.265 16.246 4.523 36 1HD2 LEU 4 1HD2 LEU 4 -19.475 14.925 6.149 37 2HD2 LEU 4 2HD2 LEU 4 -18.213 13.961 5.357 38 3HD2 LEU 4 3HD2 LEU 4 -18.532 13.773 7.097 39 H GLU 5 H GLU 5 -12.958 13.975 5.607 40 HA GLU 5 HA GLU 5 -10.886 15.048 5.425 41 1HB GLU 5 1HB GLU 5 -12.333 15.507 2.833 42 2HB GLU 5 2HB GLU 5 -10.582 15.590 2.988 43 1HG GLU 5 1HG GLU 5 -10.329 13.281 3.325 44 2HG GLU 5 2HG GLU 5 -12.020 13.036 3.739 45 H HIS 6 H HIS 6 -10.913 16.815 6.860 46 HA HIS 6 HA HIS 6 -12.245 19.331 6.300 47 1HB HIS 6 1HB HIS 6 -9.932 18.862 8.241 48 2HB HIS 6 2HB HIS 6 -10.977 20.255 8.180 49 HD1 HIS 6 HD1 HIS 6 -13.309 20.089 9.423 50 HD2 HIS 6 HD2 HIS 6 -10.967 16.560 9.318 51 HE1 HIS 6 HE1 HIS 6 -14.370 18.418 11.085 52 HE2 HIS 6 HE2 HIS 6 -12.887 16.279 11.016 53 H GLU 7 H GLU 7 -8.869 18.420 6.409 54 HA GLU 7 HA GLU 7 -8.272 20.061 4.007 55 1HB GLU 7 1HB GLU 7 -6.374 20.221 6.370 56 2HB GLU 7 2HB GLU 7 -6.249 21.000 4.812 57 1HG GLU 7 1HG GLU 7 -6.954 22.784 6.013 58 2HG GLU 7 2HG GLU 7 -8.539 22.169 5.546 59 H LYS 8 H LYS 8 -8.567 17.820 3.254 60 HA LYS 8 HA LYS 8 -5.966 16.455 3.174 61 1HB LYS 8 1HB LYS 8 -8.537 14.973 3.898 62 2HB LYS 8 2HB LYS 8 -7.109 14.231 3.182 63 1HG LYS 8 1HG LYS 8 -6.721 13.765 5.380 64 2HG LYS 8 2HG LYS 8 -5.801 15.246 5.180 65 1HD LYS 8 1HD LYS 8 -7.928 16.456 6.158 66 2HD LYS 8 2HD LYS 8 -8.505 14.840 6.529 67 1HE LYS 8 1HE LYS 8 -7.430 15.498 8.507 68 2HE LYS 8 2HE LYS 8 -6.253 14.457 7.698 69 1HZ LYS 8 1HZ LYS 8 -6.205 17.417 7.727 70 2HZ LYS 8 2HZ LYS 8 -5.211 16.406 8.529 71 3HZ LYS 8 3HZ LYS 8 -5.139 16.467 6.892 72 H THR 9 H THR 9 -5.885 17.566 1.224 73 HA THR 9 HA THR 9 -7.982 17.869 -0.600 74 HB THR 9 HB THR 9 -5.879 18.312 -2.112 75 HG1 THR 9 1HG THR 9 -4.058 18.790 -0.878 76 1HG2 THR 9 1HG2 THR 9 -7.320 20.071 -1.084 77 2HG2 THR 9 2HG2 THR 9 -6.422 19.930 0.431 78 3HG2 THR 9 3HG2 THR 9 -5.610 20.536 -1.031 79 HA PRO 10 HA PRO 10 -7.753 13.541 -1.694 80 1HB PRO 10 1HB PRO 10 -9.881 13.311 -3.399 81 2HB PRO 10 2HB PRO 10 -10.041 13.442 -1.620 82 1HG PRO 10 1HG PRO 10 -10.278 15.671 -3.669 83 2HG PRO 10 2HG PRO 10 -11.390 15.291 -2.316 84 1HD PRO 10 1HD PRO 10 -9.471 17.209 -2.101 85 2HD PRO 10 2HD PRO 10 -9.888 16.153 -0.719 86 H GLU 11 H GLU 11 -7.777 16.184 -4.014 87 HA GLU 11 HA GLU 11 -6.899 14.683 -6.323 88 1HB GLU 11 1HB GLU 11 -6.798 17.585 -5.454 89 2HB GLU 11 2HB GLU 11 -5.882 17.077 -6.858 90 1HG GLU 11 1HG GLU 11 -8.607 16.056 -7.064 91 2HG GLU 11 2HG GLU 11 -8.627 17.797 -6.727 92 H LEU 12 H LEU 12 -5.197 16.424 -3.715 93 HA LEU 12 HA LEU 12 -2.541 15.941 -4.735 94 1HB LEU 12 1HB LEU 12 -2.989 17.750 -3.113 95 2HB LEU 12 2HB LEU 12 -3.496 16.548 -1.929 96 HG LEU 12 HG LEU 12 -0.935 15.619 -2.633 97 1HD1 LEU 12 1HD1 LEU 12 -0.476 17.621 -3.936 98 2HD1 LEU 12 2HD1 LEU 12 -0.754 18.625 -2.491 99 3HD1 LEU 12 3HD1 LEU 12 0.586 17.450 -2.531 100 1HD2 LEU 12 1HD2 LEU 12 -0.264 16.363 -0.444 101 2HD2 LEU 12 2HD2 LEU 12 -1.685 17.438 -0.347 102 3HD2 LEU 12 3HD2 LEU 12 -1.895 15.673 -0.410 103 H ALA 13 H ALA 13 -4.614 14.401 -2.198 104 HA ALA 13 HA ALA 13 -2.627 12.553 -1.382 105 1HB ALA 13 1HB ALA 13 -5.651 12.222 -1.283 106 2HB ALA 13 2HB ALA 13 -4.440 11.413 -0.245 107 3HB ALA 13 3HB ALA 13 -4.695 13.154 -0.109 108 H ALA 14 H ALA 14 -5.043 12.402 -4.020 109 HA ALA 14 HA ALA 14 -4.288 9.660 -4.732 110 1HB ALA 14 1HB ALA 14 -5.653 10.081 -6.740 111 2HB ALA 14 2HB ALA 14 -6.519 10.445 -5.236 112 3HB ALA 14 3HB ALA 14 -5.875 11.771 -6.233 113 H LYS 15 H LYS 15 -3.179 12.958 -5.653 114 HA LYS 15 HA LYS 15 -1.593 12.070 -7.923 115 1HB LYS 15 1HB LYS 15 -1.675 14.524 -6.141 116 2HB LYS 15 2HB LYS 15 -0.226 14.258 -7.040 117 1HG LYS 15 1HG LYS 15 -2.984 14.772 -8.180 118 2HG LYS 15 2HG LYS 15 -1.551 15.791 -8.237 119 1HD LYS 15 1HD LYS 15 -0.420 13.847 -9.524 120 2HD LYS 15 2HD LYS 15 -2.068 13.200 -9.726 121 1HE LYS 15 1HE LYS 15 -2.739 15.408 -10.720 122 2HE LYS 15 2HE LYS 15 -1.043 15.917 -10.631 123 1HZ LYS 15 1HZ LYS 15 -0.576 13.887 -12.033 124 2HZ LYS 15 2HZ LYS 15 -2.187 13.753 -12.278 125 3HZ LYS 15 3HZ LYS 15 -1.380 15.111 -12.773 126 H LEU 16 H LEU 16 -1.050 12.425 -4.474 127 HA LEU 16 HA LEU 16 1.720 11.893 -4.416 128 1HB LEU 16 1HB LEU 16 0.331 13.074 -2.711 129 2HB LEU 16 2HB LEU 16 -0.502 11.577 -2.350 130 HG LEU 16 HG LEU 16 1.014 12.107 -0.618 131 1HD1 LEU 16 1HD1 LEU 16 2.153 10.094 -0.295 132 2HD1 LEU 16 2HD1 LEU 16 0.773 9.655 -1.290 133 3HD1 LEU 16 3HD1 LEU 16 2.408 9.804 -1.997 134 1HD2 LEU 16 1HD2 LEU 16 3.216 12.104 -2.708 135 2HD2 LEU 16 2HD2 LEU 16 2.510 13.537 -1.928 136 3HD2 LEU 16 3HD2 LEU 16 3.424 12.371 -0.968 137 H ALA 17 H ALA 17 -1.181 9.792 -4.095 138 HA ALA 17 HA ALA 17 0.052 7.346 -3.620 139 1HB ALA 17 1HB ALA 17 -2.310 7.712 -5.495 140 2HB ALA 17 2HB ALA 17 -1.903 6.304 -4.510 141 3HB ALA 17 3HB ALA 17 -2.431 7.812 -3.726 142 H ALA 18 H ALA 18 -0.071 9.124 -6.737 143 HA ALA 18 HA ALA 18 0.772 6.908 -8.351 144 1HB ALA 18 1HB ALA 18 1.159 9.872 -8.914 145 2HB ALA 18 2HB ALA 18 1.137 8.543 -10.080 146 3HB ALA 18 3HB ALA 18 -0.351 8.974 -9.218 147 H GLU 19 H GLU 19 2.545 9.211 -6.307 148 HA GLU 19 HA GLU 19 5.173 8.585 -7.454 149 1HB GLU 19 1HB GLU 19 4.274 10.060 -4.952 150 2HB GLU 19 2HB GLU 19 5.967 9.865 -5.423 151 1HG GLU 19 1HG GLU 19 5.667 11.158 -7.413 152 2HG GLU 19 2HG GLU 19 3.903 11.136 -7.261 153 H ALA 20 H ALA 20 3.258 7.720 -4.504 154 HA ALA 20 HA ALA 20 5.133 5.938 -3.392 155 1HB ALA 20 1HB ALA 20 2.076 5.799 -3.347 156 2HB ALA 20 2HB ALA 20 3.177 4.990 -2.220 157 3HB ALA 20 3HB ALA 20 3.077 6.766 -2.239 158 H ILE 21 H ILE 21 2.686 5.491 -5.898 159 HA ILE 21 HA ILE 21 3.178 2.701 -6.335 160 HB ILE 21 HB ILE 21 1.831 5.023 -7.746 161 1HG1 ILE 21 1HG1 ILE 21 0.842 2.251 -7.014 162 2HG1 ILE 21 2HG1 ILE 21 0.699 3.677 -5.991 163 1HG2 ILE 21 1HG2 ILE 21 1.181 3.767 -9.722 164 2HG2 ILE 21 2HG2 ILE 21 2.903 4.049 -9.670 165 3HG2 ILE 21 3HG2 ILE 21 2.276 2.450 -9.247 166 1HD1 ILE 21 1HD1 ILE 21 -0.692 3.182 -8.649 167 2HD1 ILE 21 2HD1 ILE 21 -1.421 3.393 -7.054 168 3HD1 ILE 21 3HD1 ILE 21 -0.649 4.774 -7.851 169 H GLU 22 H GLU 22 4.650 5.659 -7.814 170 HA GLU 22 HA GLU 22 6.111 4.109 -9.710 171 1HB GLU 22 1HB GLU 22 5.707 6.541 -9.942 172 2HB GLU 22 2HB GLU 22 6.725 6.862 -8.537 173 1HG GLU 22 1HG GLU 22 7.915 7.272 -10.671 174 2HG GLU 22 2HG GLU 22 8.706 6.026 -9.706 175 H ARG 23 H ARG 23 6.676 4.914 -6.309 176 HA ARG 23 HA ARG 23 9.389 3.830 -6.328 177 1HB ARG 23 1HB ARG 23 8.376 5.523 -4.546 178 2HB ARG 23 2HB ARG 23 7.714 4.069 -3.804 179 1HG ARG 23 1HG ARG 23 10.135 3.109 -4.020 180 2HG ARG 23 2HG ARG 23 10.614 4.768 -4.402 181 1HD ARG 23 1HD ARG 23 9.581 5.469 -2.185 182 2HD ARG 23 2HD ARG 23 9.268 3.757 -1.882 183 HE ARG 23 HE ARG 23 11.534 3.331 -1.601 184 1HH1 ARG 23 2HH2 ARG 23 11.082 6.801 -2.474 185 2HH1 ARG 23 1HH2 ARG 23 12.787 7.124 -2.271 186 1HH2 ARG 23 2HH1 ARG 23 13.837 3.873 -1.657 187 2HH2 ARG 23 1HH1 ARG 23 14.246 5.572 -1.792 188 H ASP 24 H ASP 24 6.254 2.660 -4.937 189 HA ASP 24 HA ASP 24 7.413 0.107 -4.280 190 1HB ASP 24 1HB ASP 24 5.713 1.273 -2.879 191 2HB ASP 24 2HB ASP 24 4.540 1.005 -4.114 192 HA PRO 25 HA PRO 25 6.161 -1.477 -8.381 193 1HB PRO 25 1HB PRO 25 7.316 -3.971 -8.185 194 2HB PRO 25 2HB PRO 25 8.233 -2.486 -8.598 195 1HG PRO 25 1HG PRO 25 7.889 -3.779 -5.873 196 2HG PRO 25 2HG PRO 25 9.416 -3.288 -6.678 197 1HD PRO 25 1HD PRO 25 8.225 -1.693 -4.874 198 2HD PRO 25 2HD PRO 25 8.931 -0.997 -6.370 199 H TRP 26 H TRP 26 5.484 -2.696 -5.103 200 HA TRP 26 HA TRP 26 3.501 -4.627 -6.049 201 1HB TRP 26 1HB TRP 26 4.596 -5.109 -3.970 202 2HB TRP 26 2HB TRP 26 4.159 -3.545 -3.301 203 HD1 TRP 26 HD TRP 26 2.387 -3.725 -1.643 204 HE1 TRP 26 1HE TRP 26 0.218 -5.060 -1.232 205 HE3 TRP 26 3HE TRP 26 2.627 -6.758 -5.704 206 HZ2 TRP 26 2HZ TRP 26 -1.333 -7.088 -2.709 207 HZ3 TRP 26 3HZ TRP 26 0.942 -8.509 -6.103 208 HH2 TRP 26 HH TRP 26 -1.129 -8.575 -4.718 209 H ALA 27 H ALA 27 3.340 -1.333 -4.451 210 HA ALA 27 HA ALA 27 0.573 -1.024 -4.667 211 1HB ALA 27 1HB ALA 27 0.965 1.382 -4.628 212 2HB ALA 27 2HB ALA 27 2.144 0.608 -3.555 213 3HB ALA 27 3HB ALA 27 2.639 1.139 -5.159 214 H ALA 28 H ALA 28 3.079 -0.436 -7.189 215 HA ALA 28 HA ALA 28 1.305 0.523 -9.207 216 1HB ALA 28 1HB ALA 28 3.131 -0.018 -10.750 217 2HB ALA 28 2HB ALA 28 3.810 0.704 -9.281 218 3HB ALA 28 3HB ALA 28 3.912 -1.046 -9.527 219 H GLN 29 H GLN 29 2.409 -2.765 -8.350 220 HA GLN 29 HA GLN 29 0.998 -4.159 -10.416 221 1HB GLN 29 1HB GLN 29 2.048 -4.980 -7.696 222 2HB GLN 29 2HB GLN 29 1.049 -6.083 -8.628 223 1HG GLN 29 1HG GLN 29 2.564 -6.073 -10.477 224 2HG GLN 29 2HG GLN 29 3.483 -4.739 -9.826 225 1HE2 GLN 29 1HE2 GLN 29 4.512 -7.334 -10.643 226 2HE2 GLN 29 2HE2 GLN 29 5.160 -8.173 -9.233 227 H VAL 30 H VAL 30 -0.029 -3.274 -7.048 228 HA VAL 30 HA VAL 30 -2.565 -4.478 -7.267 229 HB VAL 30 HB VAL 30 -1.521 -2.183 -5.554 230 1HG1 VAL 30 1HG1 VAL 30 -3.932 -1.849 -5.578 231 2HG1 VAL 30 2HG1 VAL 30 -4.220 -3.579 -5.299 232 3HG1 VAL 30 3HG1 VAL 30 -3.474 -2.569 -4.035 233 1HG2 VAL 30 1HG2 VAL 30 -2.192 -5.080 -4.865 234 2HG2 VAL 30 2HG2 VAL 30 -0.565 -4.480 -5.194 235 3HG2 VAL 30 3HG2 VAL 30 -1.439 -3.868 -3.794 236 H SER 31 H SER 31 -1.479 -1.308 -8.384 237 HA SER 31 HA SER 31 -4.136 -0.401 -8.996 238 1HB SER 31 1HB SER 31 -1.833 0.913 -8.826 239 2HB SER 31 2HB SER 31 -1.702 0.503 -10.542 240 HG SER 31 HG SER 31 -2.740 2.435 -10.454 241 H GLN 32 H GLN 32 -1.793 -2.465 -10.707 242 HA GLN 32 HA GLN 32 -3.204 -2.392 -13.245 243 1HB GLN 32 1HB GLN 32 -0.778 -2.932 -13.076 244 2HB GLN 32 2HB GLN 32 -1.153 -4.360 -12.111 245 1HG GLN 32 1HG GLN 32 -2.515 -5.232 -14.033 246 2HG GLN 32 2HG GLN 32 -1.878 -3.893 -14.999 247 1HE2 GLN 32 1HE2 GLN 32 0.803 -3.777 -14.510 248 2HE2 GLN 32 2HE2 GLN 32 1.580 -5.309 -14.826 249 H LEU 33 H LEU 33 -3.071 -4.390 -10.336 250 HA LEU 33 HA LEU 33 -4.687 -6.577 -11.204 251 1HB LEU 33 1HB LEU 33 -4.164 -5.482 -8.403 252 2HB LEU 33 2HB LEU 33 -4.940 -7.014 -8.769 253 HG LEU 33 HG LEU 33 -2.034 -6.340 -8.964 254 1HD1 LEU 33 1HD1 LEU 33 -1.759 -8.320 -7.677 255 2HD1 LEU 33 2HD1 LEU 33 -2.962 -7.294 -6.888 256 3HD1 LEU 33 3HD1 LEU 33 -3.484 -8.725 -7.809 257 1HD2 LEU 33 1HD2 LEU 33 -3.578 -8.396 -10.516 258 2HD2 LEU 33 2HD2 LEU 33 -2.400 -7.208 -11.110 259 3HD2 LEU 33 3HD2 LEU 33 -1.852 -8.587 -10.124 260 H SER 34 H SER 34 -5.568 -3.475 -10.333 261 HA SER 34 HA SER 34 -7.591 -2.372 -10.089 262 1HB SER 34 1HB SER 34 -8.581 -4.695 -11.784 263 2HB SER 34 2HB SER 34 -9.345 -3.109 -11.603 264 HG SER 34 HG SER 34 -6.757 -3.628 -12.697 265 H LEU 35 H LEU 35 -7.027 -3.953 -7.839 266 HA LEU 35 HA LEU 35 -9.072 -5.719 -7.081 267 1HB LEU 35 1HB LEU 35 -7.083 -4.064 -5.547 268 2HB LEU 35 2HB LEU 35 -8.436 -4.751 -4.660 269 HG LEU 35 HG LEU 35 -7.869 -7.004 -5.220 270 1HD1 LEU 35 1HD1 LEU 35 -6.976 -6.740 -7.506 271 2HD1 LEU 35 2HD1 LEU 35 -5.596 -5.840 -6.844 272 3HD1 LEU 35 3HD1 LEU 35 -5.808 -7.576 -6.485 273 1HD2 LEU 35 1HD2 LEU 35 -5.700 -7.187 -4.115 274 2HD2 LEU 35 2HD2 LEU 35 -5.304 -5.505 -4.515 275 3HD2 LEU 35 3HD2 LEU 35 -6.596 -5.859 -3.374 276 HA PRO 36 HA PRO 36 -12.572 -3.165 -6.569 277 1HB PRO 36 1HB PRO 36 -14.193 -4.681 -4.937 278 2HB PRO 36 2HB PRO 36 -13.763 -5.141 -6.592 279 1HG PRO 36 1HG PRO 36 -12.358 -6.030 -4.043 280 2HG PRO 36 2HG PRO 36 -12.991 -7.066 -5.364 281 1HD PRO 36 1HD PRO 36 -10.411 -6.383 -5.371 282 2HD PRO 36 2HD PRO 36 -11.343 -6.319 -6.887 283 H LYS 37 H LYS 37 -13.235 -4.164 -3.289 284 HA LYS 37 HA LYS 37 -12.030 -1.659 -2.198 285 1HB LYS 37 1HB LYS 37 -14.817 -2.155 -2.730 286 2HB LYS 37 2HB LYS 37 -14.604 -2.189 -0.991 287 1HG LYS 37 1HG LYS 37 -15.194 0.011 -1.750 288 2HG LYS 37 2HG LYS 37 -13.579 0.038 -1.025 289 1HD LYS 37 1HD LYS 37 -12.512 0.440 -3.074 290 2HD LYS 37 2HD LYS 37 -13.799 -0.348 -4.005 291 1HE LYS 37 1HE LYS 37 -15.317 1.503 -3.599 292 2HE LYS 37 2HE LYS 37 -14.084 2.354 -2.656 293 1HZ LYS 37 1HZ LYS 37 -13.584 1.557 -5.457 294 2HZ LYS 37 2HZ LYS 37 -14.319 2.986 -5.087 295 3HZ LYS 37 3HZ LYS 37 -12.817 2.701 -4.532 296 H LEU 38 H LEU 38 -13.845 -4.598 -1.189 297 HA LEU 38 HA LEU 38 -12.651 -4.820 1.401 298 1HB LEU 38 1HB LEU 38 -14.602 -6.126 0.893 299 2HB LEU 38 2HB LEU 38 -13.828 -6.884 -0.499 300 HG LEU 38 HG LEU 38 -12.268 -8.093 1.018 301 1HD1 LEU 38 1HD1 LEU 38 -12.195 -6.563 2.944 302 2HD1 LEU 38 2HD1 LEU 38 -13.927 -6.842 3.259 303 3HD1 LEU 38 3HD1 LEU 38 -12.749 -8.157 3.454 304 1HD2 LEU 38 1HD2 LEU 38 -13.879 -9.683 1.840 305 2HD2 LEU 38 2HD2 LEU 38 -15.194 -8.489 1.744 306 3HD2 LEU 38 3HD2 LEU 38 -14.410 -9.092 0.268 307 H VAL 39 H VAL 39 -11.838 -6.491 -1.663 308 HA VAL 39 HA VAL 39 -9.483 -7.670 -0.567 309 HB VAL 39 HB VAL 39 -10.037 -7.284 -3.518 310 1HG1 VAL 39 1HG1 VAL 39 -8.859 -9.440 -3.744 311 2HG1 VAL 39 2HG1 VAL 39 -7.832 -8.258 -2.927 312 3HG1 VAL 39 3HG1 VAL 39 -8.639 -9.522 -1.984 313 1HG2 VAL 39 1HG2 VAL 39 -11.240 -9.358 -1.638 314 2HG2 VAL 39 2HG2 VAL 39 -12.124 -8.182 -2.635 315 3HG2 VAL 39 3HG2 VAL 39 -11.251 -9.488 -3.406 316 H GLU 40 H GLU 40 -10.098 -4.574 -2.230 317 HA GLU 40 HA GLU 40 -7.372 -3.839 -2.734 318 1HB GLU 40 1HB GLU 40 -9.317 -2.592 -3.663 319 2HB GLU 40 2HB GLU 40 -9.760 -2.089 -2.031 320 1HG GLU 40 1HG GLU 40 -7.335 -1.090 -1.930 321 2HG GLU 40 2HG GLU 40 -7.348 -1.288 -3.674 322 H GLN 41 H GLN 41 -9.520 -3.415 0.151 323 HA GLN 41 HA GLN 41 -7.587 -2.125 1.730 324 1HB GLN 41 1HB GLN 41 -10.130 -2.378 2.068 325 2HB GLN 41 2HB GLN 41 -9.771 -3.910 2.853 326 1HG GLN 41 1HG GLN 41 -8.598 -2.821 4.634 327 2HG GLN 41 2HG GLN 41 -8.392 -1.330 3.696 328 1HE2 GLN 41 1HE2 GLN 41 -11.104 -3.429 4.903 329 2HE2 GLN 41 2HE2 GLN 41 -12.200 -2.095 5.159 330 H VAL 42 H VAL 42 -8.019 -5.564 1.023 331 HA VAL 42 HA VAL 42 -6.266 -6.530 3.123 332 HB VAL 42 HB VAL 42 -7.532 -7.699 0.638 333 1HG1 VAL 42 1HG1 VAL 42 -6.530 -9.882 1.044 334 2HG1 VAL 42 2HG1 VAL 42 -5.302 -8.707 0.571 335 3HG1 VAL 42 3HG1 VAL 42 -5.452 -9.180 2.266 336 1HG2 VAL 42 1HG2 VAL 42 -8.811 -7.470 2.708 337 2HG2 VAL 42 2HG2 VAL 42 -8.546 -9.172 2.309 338 3HG2 VAL 42 3HG2 VAL 42 -7.577 -8.397 3.588 339 H ALA 43 H ALA 43 -5.758 -5.970 -0.440 340 HA ALA 43 HA ALA 43 -2.975 -6.509 -0.323 341 1HB ALA 43 1HB ALA 43 -2.893 -5.258 -2.474 342 2HB ALA 43 2HB ALA 43 -4.167 -6.490 -2.421 343 3HB ALA 43 3HB ALA 43 -4.575 -4.756 -2.227 344 H LEU 44 H LEU 44 -4.800 -3.532 0.211 345 HA LEU 44 HA LEU 44 -2.616 -1.714 0.460 346 1HB LEU 44 1HB LEU 44 -5.468 -1.735 1.420 347 2HB LEU 44 2HB LEU 44 -4.387 -0.465 1.899 348 HG LEU 44 HG LEU 44 -5.082 -1.114 -0.988 349 1HD1 LEU 44 1HD1 LEU 44 -6.344 1.011 -0.882 350 2HD1 LEU 44 2HD1 LEU 44 -6.956 -0.137 0.311 351 3HD1 LEU 44 3HD1 LEU 44 -5.911 1.204 0.827 352 1HD2 LEU 44 1HD2 LEU 44 -2.855 -0.122 -0.961 353 2HD2 LEU 44 2HD2 LEU 44 -4.006 1.079 -1.501 354 3HD2 LEU 44 3HD2 LEU 44 -3.388 1.152 0.161 355 H ASN 45 H ASN 45 -4.101 -3.991 2.779 356 HA ASN 45 HA ASN 45 -2.322 -2.918 4.904 357 1HB ASN 45 1HB ASN 45 -4.747 -4.733 4.934 358 2HB ASN 45 2HB ASN 45 -3.651 -4.627 6.299 359 1HD2 ASN 45 1HD2 ASN 45 -6.158 -2.945 4.629 360 2HD2 ASN 45 2HD2 ASN 45 -6.332 -1.649 5.819 361 H ALA 46 H ALA 46 -1.436 -4.725 2.390 362 HA ALA 46 HA ALA 46 0.184 -6.415 4.149 363 1HB ALA 46 1HB ALA 46 -1.269 -7.297 1.617 364 2HB ALA 46 2HB ALA 46 0.018 -8.243 2.413 365 3HB ALA 46 3HB ALA 46 -1.511 -7.945 3.242 366 H TRP 47 H TRP 47 2.237 -6.858 3.402 367 HA TRP 47 HA TRP 47 3.133 -5.238 1.044 368 1HB TRP 47 1HB TRP 47 5.353 -5.220 1.927 369 2HB TRP 47 2HB TRP 47 4.253 -4.473 3.058 370 HD1 TRP 47 HD TRP 47 3.752 -5.774 5.367 371 HE1 TRP 47 1HE TRP 47 5.384 -7.165 6.762 372 HE3 TRP 47 3HE TRP 47 6.916 -7.359 1.637 373 HZ2 TRP 47 2HZ TRP 47 7.696 -8.833 6.325 374 HZ3 TRP 47 3HZ TRP 47 8.767 -8.945 2.172 375 HH2 TRP 47 HH TRP 47 9.183 -9.642 4.485 376 H LYS 48 H LYS 48 4.247 -6.297 -0.544 377 HA LYS 48 HA LYS 48 3.588 -9.158 -0.669 378 1HB LYS 48 1HB LYS 48 2.896 -7.555 -2.391 379 2HB LYS 48 2HB LYS 48 4.546 -7.054 -2.657 380 1HG LYS 48 1HG LYS 48 4.540 -9.845 -3.109 381 2HG LYS 48 2HG LYS 48 3.019 -9.269 -3.771 382 1HD LYS 48 1HD LYS 48 4.180 -8.842 -5.635 383 2HD LYS 48 2HD LYS 48 4.807 -7.406 -4.840 384 1HE LYS 48 1HE LYS 48 6.059 -10.165 -4.652 385 2HE LYS 48 2HE LYS 48 6.472 -9.026 -5.937 386 1HZ LYS 48 1HZ LYS 48 7.408 -7.546 -4.354 387 2HZ LYS 48 2HZ LYS 48 6.938 -8.440 -3.053 388 3HZ LYS 48 3HZ LYS 48 8.070 -8.986 -4.098 389 H GLU 49 H GLU 49 5.059 -10.749 -0.382 390 HA GLU 49 HA GLU 49 7.932 -10.200 -0.910 391 1HB GLU 49 1HB GLU 49 7.572 -10.885 1.408 392 2HB GLU 49 2HB GLU 49 6.537 -12.217 0.898 393 1HG GLU 49 1HG GLU 49 8.628 -13.187 1.402 394 2HG GLU 49 2HG GLU 49 8.514 -13.223 -0.338 395 H GLU 50 H GLU 50 8.449 -11.148 -2.923 396 HA GLU 50 HA GLU 50 6.659 -13.280 -3.994 397 1HB GLU 50 1HB GLU 50 6.818 -11.666 -5.634 398 2HB GLU 50 2HB GLU 50 8.503 -11.277 -5.296 399 1HG GLU 50 1HG GLU 50 9.256 -13.314 -6.359 400 2HG GLU 50 2HG GLU 50 7.623 -13.986 -6.359 401 H SER 51 H SER 51 7.495 -15.290 -4.174 402 HA SER 51 HA SER 51 10.269 -15.758 -3.306 403 1HB SER 51 1HB SER 51 8.048 -17.701 -2.745 404 2HB SER 51 2HB SER 51 9.707 -17.687 -2.153 405 HG SER 51 HG SER 51 7.483 -16.231 -1.365 406 H ASP 52 H ASP 52 10.742 -18.184 -4.135 407 HA ASP 52 HA ASP 52 11.612 -18.124 -6.576 408 1HB ASP 52 1HB ASP 52 10.332 -20.564 -5.294 409 2HB ASP 52 2HB ASP 52 11.303 -20.625 -6.758 410 H ASN 53 H ASN 53 8.230 -19.454 -6.068 411 HA ASN 53 HA ASN 53 7.390 -18.282 -8.564 412 1HB ASN 53 1HB ASN 53 7.609 -21.282 -8.125 413 2HB ASN 53 2HB ASN 53 6.348 -20.578 -9.120 414 1HD2 ASN 53 1HD2 ASN 53 9.471 -21.809 -9.258 415 2HD2 ASN 53 2HD2 ASN 53 10.024 -21.072 -10.736 416 H ALA 54 H ALA 54 6.884 -17.379 -6.090 417 HA ALA 54 HA ALA 54 4.059 -18.041 -5.633 418 1HB ALA 54 1HB ALA 54 4.497 -18.486 -3.195 419 2HB ALA 54 2HB ALA 54 5.263 -19.702 -4.225 420 3HB ALA 54 3HB ALA 54 6.237 -18.414 -3.520 421 H VAL 55 H VAL 55 3.199 -16.588 -3.841 422 HA VAL 55 HA VAL 55 4.829 -14.189 -3.333 423 HB VAL 55 HB VAL 55 2.017 -13.914 -4.486 424 1HG1 VAL 55 1HG1 VAL 55 2.563 -12.135 -2.844 425 2HG1 VAL 55 2HG1 VAL 55 4.125 -11.882 -3.656 426 3HG1 VAL 55 3HG1 VAL 55 2.608 -11.473 -4.485 427 1HG2 VAL 55 1HG2 VAL 55 3.615 -14.403 -6.303 428 2HG2 VAL 55 2HG2 VAL 55 3.138 -12.713 -6.367 429 3HG2 VAL 55 3HG2 VAL 55 4.719 -13.156 -5.704 430 H CYS 56 H CYS 56 4.856 -13.991 -1.195 431 HA CYS 56 HA CYS 56 2.548 -14.929 0.444 432 1HB CYS 56 1HB CYS 56 5.491 -14.358 1.041 433 2HB CYS 56 2HB CYS 56 4.288 -14.426 2.334 434 HG CYS 56 HG CYS 56 5.866 -16.657 1.876 435 H LEU 57 H LEU 57 1.114 -13.247 0.521 436 HA LEU 57 HA LEU 57 2.088 -10.467 0.732 437 1HB LEU 57 1HB LEU 57 -0.547 -11.771 0.227 438 2HB LEU 57 2HB LEU 57 -0.616 -10.256 1.133 439 HG LEU 57 HG LEU 57 1.009 -10.531 -1.423 440 1HD1 LEU 57 1HD1 LEU 57 -1.783 -9.347 -1.252 441 2HD1 LEU 57 2HD1 LEU 57 -0.760 -9.613 -2.687 442 3HD1 LEU 57 3HD1 LEU 57 -1.440 -10.981 -1.847 443 1HD2 LEU 57 1HD2 LEU 57 1.022 -8.158 -1.450 444 2HD2 LEU 57 2HD2 LEU 57 -0.227 -8.020 -0.213 445 3HD2 LEU 57 3HD2 LEU 57 1.392 -8.555 0.223 446 H HIS 58 H HIS 58 2.895 -9.876 2.554 447 HA HIS 58 HA HIS 58 2.242 -11.114 5.146 448 1HB HIS 58 1HB HIS 58 4.057 -8.884 4.205 449 2HB HIS 58 2HB HIS 58 3.879 -9.298 5.886 450 HD1 HIS 58 HD1 HIS 58 5.541 -11.174 6.791 451 HD2 HIS 58 HD2 HIS 58 5.160 -10.882 2.570 452 HE1 HIS 58 HE1 HIS 58 7.620 -12.224 5.744 453 HE2 HIS 58 HE2 HIS 58 7.422 -12.118 3.300 454 H LEU 59 H LEU 59 0.154 -10.600 5.681 455 HA LEU 59 HA LEU 59 -0.879 -7.862 5.339 456 1HB LEU 59 1HB LEU 59 -2.159 -10.069 4.814 457 2HB LEU 59 2HB LEU 59 -2.183 -10.363 6.537 458 HG LEU 59 HG LEU 59 -3.270 -7.773 6.390 459 1HD1 LEU 59 1HD1 LEU 59 -5.116 -8.022 4.730 460 2HD1 LEU 59 2HD1 LEU 59 -3.539 -7.883 3.966 461 3HD1 LEU 59 3HD1 LEU 59 -4.305 -9.479 4.096 462 1HD2 LEU 59 1HD2 LEU 59 -4.503 -10.540 6.498 463 2HD2 LEU 59 2HD2 LEU 59 -4.096 -9.489 7.854 464 3HD2 LEU 59 3HD2 LEU 59 -5.434 -9.035 6.775 465 H ARG 60 H ARG 60 -1.271 -6.462 7.007 466 HA ARG 60 HA ARG 60 -0.107 -6.779 9.547 467 1HB ARG 60 1HB ARG 60 -2.532 -5.100 8.871 468 2HB ARG 60 2HB ARG 60 -1.595 -4.953 10.332 469 1HG ARG 60 1HG ARG 60 -0.359 -4.556 7.572 470 2HG ARG 60 2HG ARG 60 -1.033 -3.238 8.533 471 1HD ARG 60 1HD ARG 60 0.595 -3.437 10.219 472 2HD ARG 60 2HD ARG 60 1.054 -5.064 9.755 473 HE ARG 60 HE ARG 60 1.716 -2.567 8.239 474 1HH1 ARG 60 2HH2 ARG 60 2.689 -5.927 9.134 475 2HH1 ARG 60 1HH2 ARG 60 4.306 -5.677 8.647 476 1HH2 ARG 60 2HH1 ARG 60 3.589 -2.332 7.489 477 2HH2 ARG 60 1HH1 ARG 60 4.865 -3.502 7.488 478 H SER 61 H SER 61 -0.507 -8.104 11.157 479 HA SER 61 HA SER 61 -2.638 -9.909 11.358 480 1HB SER 61 1HB SER 61 -0.425 -9.902 12.587 481 2HB SER 61 2HB SER 61 -1.084 -8.658 13.668 482 HG SER 61 HG SER 61 -2.292 -10.117 14.621 483 H SER 62 H SER 62 -2.388 -6.498 12.348 484 HA SER 62 HA SER 62 -4.645 -6.395 14.051 485 1HB SER 62 1HB SER 62 -3.379 -4.168 12.416 486 2HB SER 62 2HB SER 62 -4.296 -4.006 13.931 487 HG SER 62 HG SER 62 -1.675 -4.488 13.538 488 H GLN 63 H GLN 63 -4.333 -6.405 10.552 489 HA GLN 63 HA GLN 63 -7.199 -5.678 10.213 490 1HB GLN 63 1HB GLN 63 -4.786 -5.273 8.420 491 2HB GLN 63 2HB GLN 63 -6.426 -5.277 7.785 492 1HG GLN 63 1HG GLN 63 -6.050 -3.016 8.203 493 2HG GLN 63 2HG GLN 63 -7.054 -3.548 9.517 494 1HE2 GLN 63 1HE2 GLN 63 -3.703 -2.645 8.624 495 2HE2 GLN 63 2HE2 GLN 63 -3.156 -2.364 10.281 496 H ARG 64 H ARG 64 -5.658 -8.439 10.756 497 HA ARG 64 HA ARG 64 -6.278 -10.027 8.511 498 1HB ARG 64 1HB ARG 64 -4.873 -10.658 10.530 499 2HB ARG 64 2HB ARG 64 -6.390 -11.079 11.345 500 1HG ARG 64 1HG ARG 64 -6.887 -12.727 9.559 501 2HG ARG 64 2HG ARG 64 -5.471 -12.189 8.642 502 1HD ARG 64 1HD ARG 64 -3.987 -12.982 10.389 503 2HD ARG 64 2HD ARG 64 -5.367 -13.475 11.393 504 HE ARG 64 HE ARG 64 -5.869 -14.906 9.181 505 1HH1 ARG 64 2HH2 ARG 64 -3.031 -14.631 11.271 506 2HH1 ARG 64 1HH2 ARG 64 -2.313 -16.128 10.775 507 1HH2 ARG 64 2HH1 ARG 64 -5.013 -16.957 8.588 508 2HH2 ARG 64 1HH1 ARG 64 -3.545 -17.539 9.333 509 H HIS 65 H HIS 65 -8.537 -8.523 10.766 510 HA HIS 65 HA HIS 65 -10.773 -10.133 10.513 511 1HB HIS 65 1HB HIS 65 -11.109 -7.181 10.010 512 2HB HIS 65 2HB HIS 65 -12.099 -8.269 10.948 513 HD1 HIS 65 HD1 HIS 65 -11.275 -8.643 13.580 514 HD2 HIS 65 HD2 HIS 65 -9.368 -5.682 11.220 515 HE1 HIS 65 HE1 HIS 65 -10.040 -7.066 15.187 516 HE2 HIS 65 HE2 HIS 65 -8.874 -5.276 13.740 517 H LEU 66 H LEU 66 -9.418 -7.880 8.046 518 HA LEU 66 HA LEU 66 -11.649 -8.260 6.204 519 1HB LEU 66 1HB LEU 66 -8.882 -7.025 5.766 520 2HB LEU 66 2HB LEU 66 -10.199 -7.025 4.616 521 HG LEU 66 HG LEU 66 -10.148 -4.894 5.453 522 1HD1 LEU 66 1HD1 LEU 66 -12.446 -5.816 5.319 523 2HD1 LEU 66 2HD1 LEU 66 -12.374 -6.226 7.042 524 3HD1 LEU 66 3HD1 LEU 66 -12.309 -4.538 6.540 525 1HD2 LEU 66 1HD2 LEU 66 -10.228 -5.821 8.341 526 2HD2 LEU 66 2HD2 LEU 66 -8.766 -5.291 7.475 527 3HD2 LEU 66 3HD2 LEU 66 -10.107 -4.169 7.735 528 H ASN 67 H ASN 67 -8.459 -9.686 6.690 529 HA ASN 67 HA ASN 67 -8.275 -10.900 4.043 530 1HB ASN 67 1HB ASN 67 -6.216 -10.537 5.048 531 2HB ASN 67 2HB ASN 67 -6.744 -11.223 6.617 532 1HD2 ASN 67 1HD2 ASN 67 -5.340 -12.990 6.891 533 2HD2 ASN 67 2HD2 ASN 67 -5.142 -14.247 5.726 534 H ASN 68 H ASN 68 -9.501 -12.461 3.460 535 HA ASN 68 HA ASN 68 -10.049 -14.718 5.225 536 1HB ASN 68 1HB ASN 68 -12.320 -14.672 5.150 537 2HB ASN 68 2HB ASN 68 -12.047 -12.953 5.102 538 1HD2 ASN 68 1HD2 ASN 68 -13.281 -15.544 3.605 539 2HD2 ASN 68 2HD2 ASN 68 -14.095 -14.809 2.231 540 H ARG 69 H ARG 69 -10.807 -16.626 3.761 541 HA ARG 69 HA ARG 69 -8.889 -16.787 1.619 542 1HB ARG 69 1HB ARG 69 -11.037 -18.686 2.598 543 2HB ARG 69 2HB ARG 69 -10.091 -19.015 1.139 544 1HG ARG 69 1HG ARG 69 -7.995 -18.835 2.375 545 2HG ARG 69 2HG ARG 69 -8.861 -18.432 3.870 546 1HD ARG 69 1HD ARG 69 -9.904 -20.632 3.904 547 2HD ARG 69 2HD ARG 69 -9.159 -21.058 2.351 548 HE ARG 69 HE ARG 69 -6.944 -20.588 3.593 549 1HH1 ARG 69 2HH2 ARG 69 -9.729 -22.338 4.916 550 2HH1 ARG 69 1HH2 ARG 69 -8.760 -23.460 5.817 551 1HH2 ARG 69 2HH1 ARG 69 -5.657 -21.923 5.024 552 2HH2 ARG 69 1HH1 ARG 69 -6.480 -23.044 6.058 553 H GLY 70 H GLY 70 -12.366 -15.999 1.574 554 1HA GLY 70 1HA GLY 70 -12.767 -16.238 -1.231 555 2HA GLY 70 2HA GLY 70 -13.649 -15.151 -0.146 556 H ALA 71 H ALA 71 -11.641 -13.434 0.768 557 HA ALA 71 HA ALA 71 -11.159 -11.691 -1.427 558 1HB ALA 71 1HB ALA 71 -11.293 -10.887 0.903 559 2HB ALA 71 2HB ALA 71 -9.820 -11.790 1.319 560 3HB ALA 71 3HB ALA 71 -9.739 -10.442 0.172 561 H GLN 72 H GLN 72 -9.011 -14.067 0.261 562 HA GLN 72 HA GLN 72 -6.680 -13.531 -1.201 563 1HB GLN 72 1HB GLN 72 -6.696 -14.894 0.799 564 2HB GLN 72 2HB GLN 72 -7.636 -16.150 0.012 565 1HG GLN 72 1HG GLN 72 -4.923 -15.316 -1.066 566 2HG GLN 72 2HG GLN 72 -5.079 -16.445 0.272 567 1HE2 GLN 72 1HE2 GLN 72 -3.790 -17.218 -2.136 568 2HE2 GLN 72 2HE2 GLN 72 -4.724 -18.460 -2.874 569 H GLN 73 H GLN 73 -9.398 -15.775 -2.045 570 HA GLN 73 HA GLN 73 -8.258 -16.878 -4.357 571 1HB GLN 73 1HB GLN 73 -11.124 -16.273 -3.501 572 2HB GLN 73 2HB GLN 73 -10.743 -17.155 -4.962 573 1HG GLN 73 1HG GLN 73 -9.530 -18.125 -2.396 574 2HG GLN 73 2HG GLN 73 -11.254 -18.380 -2.675 575 1HE2 GLN 73 1HE2 GLN 73 -11.816 -20.182 -3.888 576 2HE2 GLN 73 2HE2 GLN 73 -10.660 -21.122 -4.829 577 H LYS 74 H LYS 74 -10.163 -13.873 -3.913 578 HA LYS 74 HA LYS 74 -10.230 -13.270 -6.728 579 1HB LYS 74 1HB LYS 74 -11.821 -12.270 -5.091 580 2HB LYS 74 2HB LYS 74 -10.487 -11.463 -4.266 581 1HG LYS 74 1HG LYS 74 -11.771 -9.964 -5.776 582 2HG LYS 74 2HG LYS 74 -10.058 -10.053 -6.216 583 1HD LYS 74 1HD LYS 74 -10.563 -11.610 -8.058 584 2HD LYS 74 2HD LYS 74 -12.259 -11.718 -7.526 585 1HE LYS 74 1HE LYS 74 -12.411 -9.236 -7.886 586 2HE LYS 74 2HE LYS 74 -10.755 -9.298 -8.554 587 1HZ LYS 74 1HZ LYS 74 -13.155 -10.666 -9.595 588 2HZ LYS 74 2HZ LYS 74 -12.353 -9.450 -10.340 589 3HZ LYS 74 3HZ LYS 74 -11.641 -10.937 -10.178 590 H LEU 75 H LEU 75 -8.102 -12.291 -4.034 591 HA LEU 75 HA LEU 75 -6.354 -10.636 -5.517 592 1HB LEU 75 1HB LEU 75 -6.560 -11.504 -2.878 593 2HB LEU 75 2HB LEU 75 -5.163 -12.343 -3.374 594 HG LEU 75 HG LEU 75 -5.676 -9.359 -3.496 595 1HD1 LEU 75 1HD1 LEU 75 -5.412 -10.273 -1.246 596 2HD1 LEU 75 2HD1 LEU 75 -3.833 -10.942 -1.689 597 3HD1 LEU 75 3HD1 LEU 75 -4.088 -9.176 -1.664 598 1HD2 LEU 75 1HD2 LEU 75 -3.372 -8.928 -4.051 599 2HD2 LEU 75 2HD2 LEU 75 -3.017 -10.661 -4.131 600 3HD2 LEU 75 3HD2 LEU 75 -4.101 -9.915 -5.320 601 H ALA 76 H ALA 76 -6.448 -14.177 -5.092 602 HA ALA 76 HA ALA 76 -3.979 -14.794 -6.297 603 1HB ALA 76 1HB ALA 76 -4.820 -17.092 -6.397 604 2HB ALA 76 2HB ALA 76 -5.216 -16.361 -4.831 605 3HB ALA 76 3HB ALA 76 -6.469 -16.538 -6.079 606 H GLU 77 H GLU 77 -7.288 -14.749 -7.702 607 HA GLU 77 HA GLU 77 -6.598 -15.409 -10.381 608 1HB GLU 77 1HB GLU 77 -8.961 -15.180 -9.522 609 2HB GLU 77 2HB GLU 77 -8.685 -13.477 -9.207 610 1HG GLU 77 1HG GLU 77 -8.284 -13.152 -11.718 611 2HG GLU 77 2HG GLU 77 -8.848 -14.811 -11.925 612 H ALA 78 H ALA 78 -6.673 -12.253 -8.707 613 HA ALA 78 HA ALA 78 -6.047 -10.696 -10.981 614 1HB ALA 78 1HB ALA 78 -5.714 -8.904 -9.445 615 2HB ALA 78 2HB ALA 78 -7.010 -9.902 -8.781 616 3HB ALA 78 3HB ALA 78 -5.390 -10.009 -8.082 617 H LEU 79 H LEU 79 -3.911 -11.932 -8.369 618 HA LEU 79 HA LEU 79 -1.464 -10.975 -9.455 619 1HB LEU 79 1HB LEU 79 -2.322 -12.587 -7.194 620 2HB LEU 79 2HB LEU 79 -0.996 -13.414 -7.977 621 HG LEU 79 HG LEU 79 -0.909 -10.465 -7.267 622 1HD1 LEU 79 1HD1 LEU 79 0.389 -11.092 -5.278 623 2HD1 LEU 79 2HD1 LEU 79 -1.270 -11.688 -5.230 624 3HD1 LEU 79 3HD1 LEU 79 0.051 -12.813 -5.611 625 1HD2 LEU 79 1HD2 LEU 79 1.538 -10.736 -7.479 626 2HD2 LEU 79 2HD2 LEU 79 1.340 -12.471 -7.806 627 3HD2 LEU 79 3HD2 LEU 79 0.770 -11.288 -8.977 628 H SER 80 H SER 80 -3.327 -13.946 -9.994 629 HA SER 80 HA SER 80 -1.275 -15.350 -11.453 630 1HB SER 80 1HB SER 80 -4.304 -15.621 -11.361 631 2HB SER 80 2HB SER 80 -3.242 -16.745 -12.177 632 HG SER 80 HG SER 80 -3.398 -16.073 -9.453 633 H MET 81 H MET 81 -3.931 -13.138 -12.403 634 HA MET 81 HA MET 81 -3.390 -13.388 -15.220 635 1HB MET 81 1HB MET 81 -5.574 -12.739 -14.218 636 2HB MET 81 2HB MET 81 -4.876 -11.215 -13.681 637 1HG MET 81 1HG MET 81 -6.164 -10.910 -15.715 638 2HG MET 81 2HG MET 81 -4.466 -10.571 -16.038 639 1HE MET 81 1HE MET 81 -5.264 -10.609 -18.640 640 2HE MET 81 2HE MET 81 -6.038 -12.024 -19.395 641 3HE MET 81 3HE MET 81 -6.899 -11.106 -18.145 642 H LEU 82 H LEU 82 -2.076 -11.396 -12.634 643 HA LEU 82 HA LEU 82 -0.644 -9.523 -14.347 644 1HB LEU 82 1HB LEU 82 -0.889 -8.658 -12.280 645 2HB LEU 82 2HB LEU 82 -0.776 -10.206 -11.461 646 HG LEU 82 HG LEU 82 1.668 -10.166 -11.593 647 1HD1 LEU 82 1HD1 LEU 82 2.843 -8.059 -12.187 648 2HD1 LEU 82 2HD1 LEU 82 2.126 -8.822 -13.591 649 3HD1 LEU 82 3HD1 LEU 82 1.336 -7.404 -12.857 650 1HD2 LEU 82 1HD2 LEU 82 0.522 -7.584 -10.466 651 2HD2 LEU 82 2HD2 LEU 82 0.388 -9.169 -9.686 652 3HD2 LEU 82 3HD2 LEU 82 1.978 -8.459 -9.924 653 H LYS 83 H LYS 83 0.392 -12.369 -12.432 654 HA LYS 83 HA LYS 83 3.054 -12.428 -13.436 655 1HB LYS 83 1HB LYS 83 2.074 -13.391 -11.261 656 2HB LYS 83 2HB LYS 83 1.369 -14.669 -12.243 657 1HG LYS 83 1HG LYS 83 3.211 -15.770 -11.601 658 2HG LYS 83 2HG LYS 83 3.937 -15.004 -12.998 659 1HD LYS 83 1HD LYS 83 4.134 -14.045 -10.108 660 2HD LYS 83 2HD LYS 83 5.364 -14.930 -11.016 661 1HE LYS 83 1HE LYS 83 5.349 -13.004 -12.696 662 2HE LYS 83 2HE LYS 83 4.410 -12.088 -11.499 663 1HZ LYS 83 1HZ LYS 83 6.757 -11.646 -11.234 664 2HZ LYS 83 2HZ LYS 83 6.285 -12.507 -9.927 665 3HZ LYS 83 3HZ LYS 83 7.107 -13.245 -11.126 666 H GLY 84 H GLY 84 0.046 -13.918 -14.623 667 1HA GLY 84 1HA GLY 84 -0.385 -14.799 -16.670 668 2HA GLY 84 2HA GLY 84 1.323 -14.712 -17.130 669 H SER 85 H SER 85 0.785 -16.245 -14.034 670 HA SER 85 HA SER 85 0.365 -18.902 -15.123 671 1HB SER 85 1HB SER 85 2.874 -18.206 -13.557 672 2HB SER 85 2HB SER 85 2.377 -19.839 -14.020 673 HG SER 85 HG SER 85 2.347 -18.282 -16.200 674 H THR 86 H THR 86 0.282 -20.476 -13.051 675 HA THR 86 HA THR 86 -1.564 -19.277 -11.183 676 HB THR 86 HB THR 86 -0.773 -21.573 -9.941 677 HG1 THR 86 1HG THR 86 -0.728 -22.421 -12.597 678 1HG2 THR 86 1HG2 THR 86 -2.679 -22.658 -11.029 679 2HG2 THR 86 2HG2 THR 86 -3.046 -20.991 -10.589 680 3HG2 THR 86 3HG2 THR 86 -2.707 -21.382 -12.281 681 H VAL 87 H VAL 87 -0.977 -17.872 -9.634 682 HA VAL 87 HA VAL 87 1.791 -17.915 -8.548 683 HB VAL 87 HB VAL 87 -0.598 -16.058 -8.108 684 1HG1 VAL 87 1HG1 VAL 87 0.704 -16.105 -6.034 685 2HG1 VAL 87 2HG1 VAL 87 2.218 -15.979 -6.945 686 3HG1 VAL 87 3HG1 VAL 87 1.076 -14.615 -6.896 687 1HG2 VAL 87 1HG2 VAL 87 2.108 -15.642 -9.464 688 2HG2 VAL 87 2HG2 VAL 87 0.565 -15.844 -10.310 689 3HG2 VAL 87 3HG2 VAL 87 0.827 -14.422 -9.296 690 H GLU 88 H GLU 88 2.262 -18.667 -6.457 691 HA GLU 88 HA GLU 88 0.129 -20.187 -5.055 692 1HB GLU 88 1HB GLU 88 3.123 -19.886 -4.647 693 2HB GLU 88 2HB GLU 88 2.098 -20.883 -3.634 694 1HG GLU 88 1HG GLU 88 2.566 -21.292 -6.636 695 2HG GLU 88 2HG GLU 88 3.490 -22.079 -5.363 696 H LEU 89 H LEU 89 -1.074 -18.295 -4.500 697 HA LEU 89 HA LEU 89 0.333 -16.028 -3.270 698 1HB LEU 89 1HB LEU 89 -1.259 -15.433 -4.878 699 2HB LEU 89 2HB LEU 89 -2.515 -16.446 -4.156 700 HG LEU 89 HG LEU 89 -2.774 -15.000 -2.269 701 1HD1 LEU 89 1HD1 LEU 89 -1.636 -13.066 -1.732 702 2HD1 LEU 89 2HD1 LEU 89 -0.360 -14.238 -1.928 703 3HD1 LEU 89 3HD1 LEU 89 -0.655 -13.056 -3.220 704 1HD2 LEU 89 1HD2 LEU 89 -2.570 -13.583 -4.942 705 2HD2 LEU 89 2HD2 LEU 89 -3.986 -14.201 -4.047 706 3HD2 LEU 89 3HD2 LEU 89 -3.125 -12.753 -3.494 707 H THR 90 H THR 90 0.879 -16.269 -1.147 708 HA THR 90 HA THR 90 -1.033 -17.673 0.665 709 HB THR 90 HB THR 90 1.824 -16.895 1.216 710 HG1 THR 90 1HG THR 90 1.611 -18.387 -0.584 711 1HG2 THR 90 1HG2 THR 90 0.502 -17.448 3.215 712 2HG2 THR 90 2HG2 THR 90 0.052 -19.011 2.489 713 3HG2 THR 90 3HG2 THR 90 1.743 -18.660 2.918 714 H ILE 91 H ILE 91 -1.454 -16.484 2.638 715 HA ILE 91 HA ILE 91 -0.881 -13.571 2.571 716 HB ILE 91 HB ILE 91 -3.399 -14.735 3.789 717 1HG1 ILE 91 1HG1 ILE 91 -3.520 -15.026 1.286 718 2HG1 ILE 91 2HG1 ILE 91 -4.799 -14.140 2.086 719 1HG2 ILE 91 1HG2 ILE 91 -2.658 -12.670 4.787 720 2HG2 ILE 91 2HG2 ILE 91 -2.381 -11.924 3.201 721 3HG2 ILE 91 3HG2 ILE 91 -4.029 -12.270 3.736 722 1HD1 ILE 91 1HD1 ILE 91 -4.176 -13.137 -0.069 723 2HD1 ILE 91 2HD1 ILE 91 -3.958 -12.009 1.271 724 3HD1 ILE 91 3HD1 ILE 91 -2.541 -12.822 0.555 725 H VAL 92 H VAL 92 0.630 -13.389 4.204 726 HA VAL 92 HA VAL 92 0.586 -15.417 6.410 727 HB VAL 92 HB VAL 92 2.920 -15.163 6.678 728 1HG1 VAL 92 1HG1 VAL 92 3.834 -16.025 4.574 729 2HG1 VAL 92 2HG1 VAL 92 2.240 -16.734 4.872 730 3HG1 VAL 92 3HG1 VAL 92 2.438 -15.433 3.670 731 1HG2 VAL 92 1HG2 VAL 92 4.378 -13.806 5.243 732 2HG2 VAL 92 2HG2 VAL 92 2.961 -13.110 4.428 733 3HG2 VAL 92 3HG2 VAL 92 3.266 -12.799 6.164 734 H GLU 93 H GLU 93 0.928 -14.481 8.561 735 HA GLU 93 HA GLU 93 -0.316 -11.804 8.702 736 1HB GLU 93 1HB GLU 93 -0.654 -12.223 10.991 737 2HB GLU 93 2HB GLU 93 -0.916 -13.787 10.218 738 1HG GLU 93 1HG GLU 93 1.605 -14.235 10.787 739 2HG GLU 93 2HG GLU 93 1.450 -12.855 11.883 740 H ASP 94 H ASP 94 0.816 -9.948 9.184 741 HA ASP 94 HA ASP 94 3.481 -10.200 10.357 742 1HB ASP 94 1HB ASP 94 3.995 -9.997 7.979 743 2HB ASP 94 2HB ASP 94 3.063 -8.487 7.896 744 H ASP 95 H ASP 95 2.796 -9.405 12.236 745 HA ASP 95 HA ASP 95 1.230 -6.979 12.596 746 1HB ASP 95 1HB ASP 95 1.765 -7.444 14.950 747 2HB ASP 95 2HB ASP 95 1.236 -8.926 14.162 748 H ASN 96 H ASN 96 4.579 -7.665 11.857 749 HA ASN 96 HA ASN 96 5.731 -5.575 13.487 750 1HB ASN 96 1HB ASN 96 6.701 -7.814 12.934 751 2HB ASN 96 2HB ASN 96 6.955 -7.251 11.275 752 1HD2 ASN 96 1HD2 ASN 96 8.986 -8.225 13.015 753 2HD2 ASN 96 2HD2 ASN 96 10.115 -6.897 13.172 754 HA PRO 97 HA PRO 97 5.443 -2.486 10.104 755 1HB PRO 97 1HB PRO 97 6.818 -0.446 11.305 756 2HB PRO 97 2HB PRO 97 5.140 -0.896 11.726 757 1HG PRO 97 1HG PRO 97 7.708 -1.716 13.108 758 2HG PRO 97 2HG PRO 97 6.219 -1.038 13.850 759 1HD PRO 97 1HD PRO 97 6.683 -3.697 13.807 760 2HD PRO 97 2HD PRO 97 5.036 -3.059 13.546 761 H ALA 98 H ALA 98 7.737 -4.555 10.383 762 HA ALA 98 HA ALA 98 10.228 -3.309 9.871 763 1HB ALA 98 1HB ALA 98 10.113 -5.583 10.739 764 2HB ALA 98 2HB ALA 98 9.310 -6.141 9.248 765 3HB ALA 98 3HB ALA 98 10.991 -5.578 9.209 766 H VAL 99 H VAL 99 7.630 -3.656 7.791 767 HA VAL 99 HA VAL 99 9.163 -2.657 5.494 768 HB VAL 99 HB VAL 99 7.224 -4.986 5.195 769 1HG1 VAL 99 1HG1 VAL 99 8.156 -5.113 2.862 770 2HG1 VAL 99 2HG1 VAL 99 7.228 -3.671 3.166 771 3HG1 VAL 99 3HG1 VAL 99 9.013 -3.590 3.160 772 1HG2 VAL 99 1HG2 VAL 99 9.162 -5.982 6.184 773 2HG2 VAL 99 2HG2 VAL 99 9.278 -6.311 4.462 774 3HG2 VAL 99 3HG2 VAL 99 10.257 -5.017 5.177 775 H ARG 100 H ARG 100 7.486 -1.658 3.885 776 HA ARG 100 HA ARG 100 5.129 -0.626 5.387 777 1HB ARG 100 1HB ARG 100 6.423 0.382 2.814 778 2HB ARG 100 2HB ARG 100 5.046 1.072 3.615 779 1HG ARG 100 1HG ARG 100 6.676 2.539 4.187 780 2HG ARG 100 2HG ARG 100 6.678 1.512 5.622 781 1HD ARG 100 1HD ARG 100 8.736 0.445 4.933 782 2HD ARG 100 2HD ARG 100 8.548 1.018 3.266 783 HE ARG 100 HE ARG 100 8.824 3.121 5.293 784 1HH1 ARG 100 2HH2 ARG 100 10.799 0.944 3.235 785 2HH1 ARG 100 1HH2 ARG 100 12.019 2.141 3.005 786 1HH2 ARG 100 2HH1 ARG 100 10.390 4.732 4.744 787 2HH2 ARG 100 1HH1 ARG 100 11.901 4.208 4.113 788 H THR 101 H THR 101 3.070 -1.106 4.550 789 HA THR 101 HA THR 101 2.798 -2.985 2.313 790 HB THR 101 HB THR 101 0.461 -2.926 2.955 791 HG1 THR 101 1HG THR 101 -0.412 -1.311 3.853 792 1HG2 THR 101 1HG2 THR 101 2.018 -2.781 5.562 793 2HG2 THR 101 2HG2 THR 101 0.461 -3.561 5.294 794 3HG2 THR 101 3HG2 THR 101 1.921 -4.209 4.522 795 HA PRO 102 HA PRO 102 2.257 0.325 -0.594 796 1HB PRO 102 1HB PRO 102 -0.027 0.033 -2.057 797 2HB PRO 102 2HB PRO 102 1.431 -0.998 -2.211 798 1HG PRO 102 1HG PRO 102 -1.090 -1.593 -0.774 799 2HG PRO 102 2HG PRO 102 -0.110 -2.677 -1.770 800 1HD PRO 102 1HD PRO 102 -0.022 -2.598 0.999 801 2HD PRO 102 2HD PRO 102 1.378 -3.099 0.013 802 H LEU 103 H LEU 103 -0.423 -0.092 1.676 803 HA LEU 103 HA LEU 103 -1.501 2.598 1.399 804 1HB LEU 103 1HB LEU 103 -2.612 0.542 2.418 805 2HB LEU 103 2HB LEU 103 -1.642 0.794 3.860 806 HG LEU 103 HG LEU 103 -3.700 2.711 2.665 807 1HD1 LEU 103 1HD1 LEU 103 -4.741 0.723 3.673 808 2HD1 LEU 103 2HD1 LEU 103 -3.794 0.947 5.152 809 3HD1 LEU 103 3HD1 LEU 103 -5.037 2.129 4.684 810 1HD2 LEU 103 1HD2 LEU 103 -2.124 4.099 3.871 811 2HD2 LEU 103 2HD2 LEU 103 -3.530 3.888 4.893 812 3HD2 LEU 103 3HD2 LEU 103 -2.055 2.948 5.219 813 H GLU 104 H GLU 104 0.780 0.934 3.683 814 HA GLU 104 HA GLU 104 1.459 3.296 5.134 815 1HB GLU 104 1HB GLU 104 2.670 0.567 4.763 816 2HB GLU 104 2HB GLU 104 3.558 1.807 5.623 817 1HG GLU 104 1HG GLU 104 1.544 2.100 7.137 818 2HG GLU 104 2HG GLU 104 0.798 0.713 6.332 819 H TRP 105 H TRP 105 2.687 1.957 2.062 820 HA TRP 105 HA TRP 105 4.899 3.768 1.800 821 1HB TRP 105 1HB TRP 105 3.311 2.078 -0.139 822 2HB TRP 105 2HB TRP 105 4.398 3.303 -0.744 823 HD1 TRP 105 HD TRP 105 4.515 -0.234 -0.019 824 HE1 TRP 105 1HE TRP 105 6.881 -1.073 0.156 825 HE3 TRP 105 3HE TRP 105 6.857 4.275 0.367 826 HZ2 TRP 105 2HZ TRP 105 9.554 0.101 0.615 827 HZ3 TRP 105 3HZ TRP 105 9.313 4.413 0.582 828 HH2 TRP 105 HH TRP 105 10.667 2.340 0.786 829 H ARG 106 H ARG 106 1.487 3.896 0.606 830 HA ARG 106 HA ARG 106 1.631 6.463 -0.584 831 1HB ARG 106 1HB ARG 106 -0.250 4.780 -0.675 832 2HB ARG 106 2HB ARG 106 -0.716 5.273 0.952 833 1HG ARG 106 1HG ARG 106 -1.114 7.586 0.140 834 2HG ARG 106 2HG ARG 106 -0.668 7.075 -1.502 835 1HD ARG 106 1HD ARG 106 -2.453 5.368 -1.473 836 2HD ARG 106 2HD ARG 106 -2.914 5.827 0.162 837 HE ARG 106 HE ARG 106 -3.731 7.051 -2.288 838 1HH1 ARG 106 2HH2 ARG 106 -3.022 7.819 1.084 839 2HH1 ARG 106 1HH2 ARG 106 -3.982 9.247 1.158 840 1HH2 ARG 106 2HH1 ARG 106 -5.219 8.716 -2.180 841 2HH2 ARG 106 1HH1 ARG 106 -5.445 9.675 -0.740 842 H GLN 107 H GLN 107 1.141 5.541 2.807 843 HA GLN 107 HA GLN 107 0.908 8.285 3.717 844 1HB GLN 107 1HB GLN 107 -0.018 6.378 5.006 845 2HB GLN 107 2HB GLN 107 1.610 5.757 5.272 846 1HG GLN 107 1HG GLN 107 0.783 6.916 7.252 847 2HG GLN 107 2HG GLN 107 2.198 7.731 6.597 848 1HE2 GLN 107 1HE2 GLN 107 1.342 9.524 8.039 849 2HE2 GLN 107 2HE2 GLN 107 0.182 10.627 7.346 850 H ALA 108 H ALA 108 3.661 6.018 3.286 851 HA ALA 108 HA ALA 108 5.528 7.610 4.699 852 1HB ALA 108 1HB ALA 108 7.253 6.235 3.576 853 2HB ALA 108 2HB ALA 108 5.943 5.194 4.144 854 3HB ALA 108 3HB ALA 108 6.059 5.623 2.426 855 H ILE 109 H ILE 109 4.661 7.498 1.208 856 HA ILE 109 HA ILE 109 6.726 9.435 0.527 857 HB ILE 109 HB ILE 109 4.405 8.313 -1.053 858 1HG1 ILE 109 1HG1 ILE 109 6.448 7.734 -2.603 859 2HG1 ILE 109 2HG1 ILE 109 7.465 8.144 -1.228 860 1HG2 ILE 109 1HG2 ILE 109 5.237 9.495 -3.018 861 2HG2 ILE 109 2HG2 ILE 109 4.674 10.629 -1.807 862 3HG2 ILE 109 3HG2 ILE 109 6.420 10.377 -2.016 863 1HD1 ILE 109 1HD1 ILE 109 6.980 5.719 -1.548 864 2HD1 ILE 109 2HD1 ILE 109 6.470 6.346 0.048 865 3HD1 ILE 109 3HD1 ILE 109 5.271 6.042 -1.230 866 H TYR 110 H TYR 110 3.440 9.709 1.782 867 HA TYR 110 HA TYR 110 3.184 12.549 1.208 868 1HB TYR 110 1HB TYR 110 1.190 11.215 1.615 869 2HB TYR 110 2HB TYR 110 1.799 10.678 3.166 870 HD1 TYR 110 HD1 TYR 110 0.225 11.452 4.724 871 HD2 TYR 110 HD2 TYR 110 1.866 14.212 1.836 872 HE1 TYR 110 HE1 TYR 110 -1.051 13.305 5.762 873 HE2 TYR 110 HE2 TYR 110 0.625 16.059 2.873 874 HH TYR 110 HH TYR 110 -1.839 15.611 5.367 875 H GLU 111 H GLU 111 4.004 10.591 4.094 876 HA GLU 111 HA GLU 111 4.676 12.754 5.764 877 1HB GLU 111 1HB GLU 111 4.108 10.496 6.554 878 2HB GLU 111 2HB GLU 111 5.568 9.836 5.821 879 1HG GLU 111 1HG GLU 111 6.983 10.854 7.306 880 2HG GLU 111 2HG GLU 111 5.887 12.182 7.670 881 H GLU 112 H GLU 112 6.581 11.076 3.299 882 HA GLU 112 HA GLU 112 9.161 11.988 3.894 883 1HB GLU 112 1HB GLU 112 7.648 11.051 1.529 884 2HB GLU 112 2HB GLU 112 8.913 12.145 1.084 885 1HG GLU 112 1HG GLU 112 9.264 9.612 2.726 886 2HG GLU 112 2HG GLU 112 9.622 9.790 1.008 887 H LYS 113 H LYS 113 6.439 13.798 2.497 888 HA LYS 113 HA LYS 113 8.170 16.039 1.713 889 1HB LYS 113 1HB LYS 113 5.148 15.595 1.622 890 2HB LYS 113 2HB LYS 113 5.991 17.018 0.986 891 1HG LYS 113 1HG LYS 113 7.354 15.616 -0.485 892 2HG LYS 113 2HG LYS 113 6.626 14.142 0.142 893 1HD LYS 113 1HD LYS 113 4.470 14.728 -0.830 894 2HD LYS 113 2HD LYS 113 5.160 16.250 -1.463 895 1HE LYS 113 1HE LYS 113 6.921 14.938 -2.645 896 2HE LYS 113 2HE LYS 113 6.201 13.428 -2.069 897 1HZ LYS 113 1HZ LYS 113 4.644 15.343 -3.696 898 2HZ LYS 113 2HZ LYS 113 5.579 14.172 -4.395 899 3HZ LYS 113 3HZ LYS 113 4.358 13.754 -3.480 900 H LEU 114 H LEU 114 6.153 15.086 4.373 901 HA LEU 114 HA LEU 114 6.114 17.685 5.734 902 1HB LEU 114 1HB LEU 114 5.564 14.873 6.790 903 2HB LEU 114 2HB LEU 114 5.205 16.370 7.629 904 HG LEU 114 HG LEU 114 3.930 15.515 4.984 905 1HD1 LEU 114 1HD1 LEU 114 3.245 14.066 6.856 906 2HD1 LEU 114 2HD1 LEU 114 2.739 15.495 7.783 907 3HD1 LEU 114 3HD1 LEU 114 1.915 15.056 6.263 908 1HD2 LEU 114 1HD2 LEU 114 2.315 17.322 5.395 909 2HD2 LEU 114 2HD2 LEU 114 3.195 17.798 6.869 910 3HD2 LEU 114 3HD2 LEU 114 3.944 17.978 5.266 911 H ALA 115 H ALA 115 8.021 14.678 5.756 912 HA ALA 115 HA ALA 115 9.854 15.364 7.816 913 1HB ALA 115 1HB ALA 115 11.236 13.582 6.838 914 2HB ALA 115 2HB ALA 115 9.546 13.052 6.984 915 3HB ALA 115 3HB ALA 115 10.205 13.527 5.403 916 H GLN 116 H GLN 116 9.791 15.966 4.255 917 HA GLN 116 HA GLN 116 12.407 17.153 4.214 918 1HB GLN 116 1HB GLN 116 10.091 17.090 2.336 919 2HB GLN 116 2HB GLN 116 11.207 18.429 2.123 920 1HG GLN 116 1HG GLN 116 12.153 15.542 2.317 921 2HG GLN 116 2HG GLN 116 11.720 16.332 0.798 922 1HE2 GLN 116 1HE2 GLN 116 13.957 15.862 0.077 923 2HE2 GLN 116 2HE2 GLN 116 15.243 16.909 0.649 924 H ALA 117 H ALA 117 9.394 18.401 5.388 925 HA ALA 117 HA ALA 117 10.420 21.165 5.544 926 1HB ALA 117 1HB ALA 117 7.972 19.912 6.900 927 2HB ALA 117 2HB ALA 117 8.356 21.627 6.768 928 3HB ALA 117 3HB ALA 117 7.966 20.707 5.309 929 H ARG 118 H ARG 118 10.132 18.285 7.605 930 HA ARG 118 HA ARG 118 11.093 19.457 10.038 931 1HB ARG 118 1HB ARG 118 9.886 17.254 9.820 932 2HB ARG 118 2HB ARG 118 11.367 16.551 9.149 933 1HG ARG 118 1HG ARG 118 12.610 17.095 11.217 934 2HG ARG 118 2HG ARG 118 11.169 17.842 11.883 935 1HD ARG 118 1HD ARG 118 11.753 14.940 11.311 936 2HD ARG 118 2HD ARG 118 11.359 15.669 12.862 937 HE ARG 118 HE ARG 118 9.599 14.515 11.021 938 1HH1 ARG 118 2HH2 ARG 118 9.707 17.349 13.177 939 2HH1 ARG 118 1HH2 ARG 118 8.000 17.662 13.113 940 1HH2 ARG 118 2HH1 ARG 118 7.308 14.742 11.157 941 2HH2 ARG 118 1HH1 ARG 118 6.586 16.087 11.984 942 H GLU 119 H GLU 119 12.781 18.270 7.133 943 HA GLU 119 HA GLU 119 15.306 17.877 8.278 944 1HB GLU 119 1HB GLU 119 14.556 18.913 5.518 945 2HB GLU 119 2HB GLU 119 16.196 18.481 5.967 946 1HG GLU 119 1HG GLU 119 13.845 16.557 5.944 947 2HG GLU 119 2HG GLU 119 15.041 16.728 4.686 948 H SER 120 H SER 120 13.694 20.912 7.460 949 HA SER 120 HA SER 120 15.944 22.590 7.913 950 1HB SER 120 1HB SER 120 13.824 23.222 6.738 951 2HB SER 120 2HB SER 120 12.996 23.240 8.303 952 HG SER 120 HG SER 120 15.302 24.784 7.645 953 H ILE 121 H ILE 121 13.670 21.008 10.120 954 HA ILE 121 HA ILE 121 14.332 22.639 12.438 955 HB ILE 121 HB ILE 121 12.951 19.925 12.373 956 1HG1 ILE 121 1HG1 ILE 121 11.654 22.695 12.250 957 2HG1 ILE 121 2HG1 ILE 121 11.748 21.571 10.897 958 1HG2 ILE 121 1HG2 ILE 121 12.976 22.193 14.416 959 2HG2 ILE 121 2HG2 ILE 121 12.020 20.702 14.547 960 3HG2 ILE 121 3HG2 ILE 121 13.774 20.620 14.577 961 1HD1 ILE 121 1HD1 ILE 121 10.121 21.204 13.419 962 2HD1 ILE 121 2HD1 ILE 121 9.592 21.311 11.733 963 3HD1 ILE 121 3HD1 ILE 121 10.463 19.883 12.287 964 H ILE 122 H ILE 122 15.306 19.464 11.030 965 HA ILE 122 HA ILE 122 17.149 18.764 13.114 966 HB ILE 122 HB ILE 122 17.453 18.115 10.156 967 1HG1 ILE 122 1HG1 ILE 122 15.254 17.362 10.630 968 2HG1 ILE 122 2HG1 ILE 122 16.300 15.968 10.627 969 1HG2 ILE 122 1HG2 ILE 122 19.434 17.574 11.468 970 2HG2 ILE 122 2HG2 ILE 122 18.454 16.696 12.658 971 3HG2 ILE 122 3HG2 ILE 122 18.601 16.094 10.991 972 1HD1 ILE 122 1HD1 ILE 122 16.264 15.924 13.117 973 2HD1 ILE 122 2HD1 ILE 122 15.199 17.352 13.119 974 3HD1 ILE 122 3HD1 ILE 122 14.642 15.830 12.411 975 H ALA 123 H ALA 123 17.505 20.657 10.098 976 HA ALA 123 HA ALA 123 20.221 21.369 10.420 977 1HB ALA 123 1HB ALA 123 18.911 21.444 8.303 978 2HB ALA 123 2HB ALA 123 17.977 22.816 8.950 979 3HB ALA 123 3HB ALA 123 19.702 22.982 8.650 980 H ASP 124 H ASP 124 17.418 22.535 12.119 981 HA ASP 124 HA ASP 124 18.507 25.129 12.830 982 1HB ASP 124 1HB ASP 124 16.000 24.101 12.890 983 2HB ASP 124 2HB ASP 124 16.454 23.765 14.561 984 H ASN 125 H ASN 125 18.720 21.900 13.933 985 HA ASN 125 HA ASN 125 19.510 20.815 15.734 986 1HB ASN 125 1HB ASN 125 21.320 21.584 13.859 987 2HB ASN 125 2HB ASN 125 22.129 22.172 15.299 988 1HD2 ASN 125 1HD2 ASN 125 20.678 19.364 13.718 989 2HD2 ASN 125 2HD2 ASN 125 21.693 18.166 14.526 990 H ASN 126 H ASN 126 18.135 22.813 16.969 991 HA ASN 126 HA ASN 126 19.824 24.051 19.026 992 1HB ASN 126 1HB ASN 126 16.855 24.029 18.463 993 2HB ASN 126 2HB ASN 126 17.441 24.403 20.084 994 1HD2 ASN 126 1HD2 ASN 126 18.942 25.381 16.895 995 2HD2 ASN 126 2HD2 ASN 126 18.837 27.067 17.277 996 H ILE 127 H ILE 127 20.881 22.124 19.645 997 HA ILE 127 HA ILE 127 19.483 20.699 21.847 998 HB ILE 127 HB ILE 127 21.357 19.350 19.847 999 1HG1 ILE 127 1HG1 ILE 127 19.216 17.715 19.867 1000 2HG1 ILE 127 2HG1 ILE 127 18.362 19.187 20.288 1001 1HG2 ILE 127 1HG2 ILE 127 20.957 17.296 21.190 1002 2HG2 ILE 127 2HG2 ILE 127 21.809 18.528 22.109 1003 3HG2 ILE 127 3HG2 ILE 127 20.075 18.266 22.391 1004 1HD1 ILE 127 1HD1 ILE 127 19.155 20.209 18.161 1005 2HD1 ILE 127 2HD1 ILE 127 20.114 18.755 17.817 1006 3HD1 ILE 127 3HD1 ILE 127 18.340 18.678 17.865 1007 H GLN 128 H GLN 128 22.387 22.142 20.408 1008 HA GLN 128 HA GLN 128 23.540 22.678 22.993 1009 1HB GLN 128 1HB GLN 128 25.069 21.380 20.672 1010 2HB GLN 128 2HB GLN 128 25.819 22.229 22.026 1011 1HG GLN 128 1HG GLN 128 24.823 20.582 23.609 1012 2HG GLN 128 2HG GLN 128 24.195 19.672 22.225 1013 1HE2 GLN 128 1HE2 GLN 128 25.518 17.929 21.730 1014 2HE2 GLN 128 2HE2 GLN 128 27.274 17.926 21.910 Start of MODEL 12 1 1H MET 1 H MET 1 -29.392 13.164 -2.844 2 HA MET 1 HA MET 1 -28.648 15.018 -0.686 3 1HB MET 1 1HB MET 1 -27.627 12.272 -1.474 4 2HB MET 1 2HB MET 1 -26.528 13.457 -0.774 5 1HG MET 1 1HG MET 1 -27.431 12.035 0.970 6 2HG MET 1 2HG MET 1 -27.924 13.706 1.202 7 1HE MET 1 1HE MET 1 -30.872 11.686 2.768 8 2HE MET 1 2HE MET 1 -29.140 11.286 2.795 9 3HE MET 1 3HE MET 1 -29.668 12.969 3.022 10 H LYS 2 H LYS 2 -26.418 15.943 -1.183 11 HA LYS 2 HA LYS 2 -25.351 15.148 -3.713 12 1HB LYS 2 1HB LYS 2 -24.472 17.262 -4.419 13 2HB LYS 2 2HB LYS 2 -26.218 17.276 -4.517 14 1HG LYS 2 1HG LYS 2 -26.466 18.880 -2.864 15 2HG LYS 2 2HG LYS 2 -24.968 18.487 -2.033 16 1HD LYS 2 1HD LYS 2 -24.993 19.756 -4.789 17 2HD LYS 2 2HD LYS 2 -24.999 20.699 -3.288 18 1HE LYS 2 1HE LYS 2 -22.867 19.772 -2.579 19 2HE LYS 2 2HE LYS 2 -22.891 18.591 -3.888 20 1HZ LYS 2 1HZ LYS 2 -22.685 20.353 -5.474 21 2HZ LYS 2 2HZ LYS 2 -22.615 21.503 -4.289 22 3HZ LYS 2 3HZ LYS 2 -21.427 20.390 -4.452 23 H ALA 3 H ALA 3 -23.158 14.831 -3.482 24 HA ALA 3 HA ALA 3 -22.099 14.992 -0.736 25 1HB ALA 3 1HB ALA 3 -20.841 14.081 -3.351 26 2HB ALA 3 2HB ALA 3 -20.210 13.824 -1.703 27 3HB ALA 3 3HB ALA 3 -21.693 13.022 -2.192 28 H LEU 4 H LEU 4 -20.420 16.443 -0.169 29 HA LEU 4 HA LEU 4 -20.676 18.998 -1.437 30 1HB LEU 4 1HB LEU 4 -20.496 18.548 0.987 31 2HB LEU 4 2HB LEU 4 -18.808 18.107 0.791 32 HG LEU 4 HG LEU 4 -19.352 20.388 1.728 33 1HD1 LEU 4 1HD1 LEU 4 -17.530 21.538 0.710 34 2HD1 LEU 4 2HD1 LEU 4 -17.115 19.819 0.787 35 3HD1 LEU 4 3HD1 LEU 4 -17.631 20.541 -0.752 36 1HD2 LEU 4 1HD2 LEU 4 -20.023 21.182 -1.126 37 2HD2 LEU 4 2HD2 LEU 4 -21.209 20.967 0.191 38 3HD2 LEU 4 3HD2 LEU 4 -19.965 22.222 0.307 39 H GLU 5 H GLU 5 -18.008 16.625 -1.382 40 HA GLU 5 HA GLU 5 -15.860 16.746 -2.086 41 1HB GLU 5 1HB GLU 5 -17.756 16.833 -4.356 42 2HB GLU 5 2HB GLU 5 -16.039 16.856 -4.728 43 1HG GLU 5 1HG GLU 5 -16.614 14.606 -4.829 44 2HG GLU 5 2HG GLU 5 -15.683 14.818 -3.347 45 H HIS 6 H HIS 6 -15.253 18.554 -1.077 46 HA HIS 6 HA HIS 6 -14.260 20.635 -2.972 47 1HB HIS 6 1HB HIS 6 -15.935 21.714 -1.547 48 2HB HIS 6 2HB HIS 6 -14.969 21.319 -0.110 49 HD1 HIS 6 HD1 HIS 6 -14.421 23.949 0.440 50 HD2 HIS 6 HD2 HIS 6 -13.406 22.606 -3.468 51 HE1 HIS 6 HE1 HIS 6 -13.064 25.798 -0.673 52 HE2 HIS 6 HE2 HIS 6 -12.458 25.019 -3.006 53 H GLU 7 H GLU 7 -13.419 19.580 0.462 54 HA GLU 7 HA GLU 7 -10.652 19.991 -0.328 55 1HB GLU 7 1HB GLU 7 -10.069 19.702 1.858 56 2HB GLU 7 2HB GLU 7 -11.591 20.542 1.938 57 1HG GLU 7 1HG GLU 7 -11.382 17.513 2.319 58 2HG GLU 7 2HG GLU 7 -11.066 18.652 3.614 59 H LYS 8 H LYS 8 -12.832 17.247 -0.235 60 HA LYS 8 HA LYS 8 -11.240 15.094 0.240 61 1HB LYS 8 1HB LYS 8 -13.597 15.550 -1.578 62 2HB LYS 8 2HB LYS 8 -12.752 14.025 -1.754 63 1HG LYS 8 1HG LYS 8 -13.464 14.848 1.053 64 2HG LYS 8 2HG LYS 8 -14.784 14.406 -0.027 65 1HD LYS 8 1HD LYS 8 -14.045 12.483 1.268 66 2HD LYS 8 2HD LYS 8 -13.833 12.218 -0.461 67 1HE LYS 8 1HE LYS 8 -11.443 12.524 -0.316 68 2HE LYS 8 2HE LYS 8 -11.551 13.122 1.351 69 1HZ LYS 8 1HZ LYS 8 -10.867 10.744 1.103 70 2HZ LYS 8 2HZ LYS 8 -12.168 11.001 2.102 71 3HZ LYS 8 3HZ LYS 8 -12.391 10.392 0.605 72 H THR 9 H THR 9 -11.557 16.531 -3.001 73 HA THR 9 HA THR 9 -10.499 16.049 -4.927 74 HB THR 9 HB THR 9 -8.225 17.096 -4.858 75 HG1 THR 9 1HG THR 9 -9.010 17.528 -2.151 76 1HG2 THR 9 1HG2 THR 9 -10.234 18.299 -5.488 77 2HG2 THR 9 2HG2 THR 9 -10.661 18.553 -3.786 78 3HG2 THR 9 3HG2 THR 9 -9.226 19.344 -4.471 79 HA PRO 10 HA PRO 10 -8.539 11.977 -4.239 80 1HB PRO 10 1HB PRO 10 -9.688 10.733 -6.418 81 2HB PRO 10 2HB PRO 10 -10.422 10.814 -4.786 82 1HG PRO 10 1HG PRO 10 -10.948 12.612 -7.145 83 2HG PRO 10 2HG PRO 10 -12.144 11.814 -6.069 84 1HD PRO 10 1HD PRO 10 -11.434 14.389 -5.685 85 2HD PRO 10 2HD PRO 10 -11.663 13.309 -4.280 86 H GLU 11 H GLU 11 -8.505 14.451 -6.707 87 HA GLU 11 HA GLU 11 -6.560 13.323 -8.472 88 1HB GLU 11 1HB GLU 11 -6.661 16.258 -7.658 89 2HB GLU 11 2HB GLU 11 -6.051 15.552 -9.148 90 1HG GLU 11 1HG GLU 11 -8.038 16.290 -9.945 91 2HG GLU 11 2HG GLU 11 -8.606 14.721 -9.371 92 H LEU 12 H LEU 12 -6.225 15.052 -5.344 93 HA LEU 12 HA LEU 12 -3.300 14.918 -5.470 94 1HB LEU 12 1HB LEU 12 -4.512 16.653 -4.053 95 2HB LEU 12 2HB LEU 12 -5.033 15.329 -3.005 96 HG LEU 12 HG LEU 12 -2.385 14.739 -3.000 97 1HD1 LEU 12 1HD1 LEU 12 -2.428 17.703 -3.594 98 2HD1 LEU 12 2HD1 LEU 12 -1.006 16.758 -3.083 99 3HD1 LEU 12 3HD1 LEU 12 -1.764 16.435 -4.650 100 1HD2 LEU 12 1HD2 LEU 12 -2.072 15.922 -0.986 101 2HD2 LEU 12 2HD2 LEU 12 -3.438 17.005 -1.328 102 3HD2 LEU 12 3HD2 LEU 12 -3.716 15.270 -1.022 103 H ALA 13 H ALA 13 -5.988 13.107 -3.874 104 HA ALA 13 HA ALA 13 -4.214 11.488 -2.369 105 1HB ALA 13 1HB ALA 13 -6.689 11.734 -1.902 106 2HB ALA 13 2HB ALA 13 -7.023 10.807 -3.386 107 3HB ALA 13 3HB ALA 13 -6.241 10.020 -2.032 108 H ALA 14 H ALA 14 -5.367 11.137 -5.686 109 HA ALA 14 HA ALA 14 -4.043 8.530 -5.974 110 1HB ALA 14 1HB ALA 14 -4.810 8.649 -8.270 111 2HB ALA 14 2HB ALA 14 -6.133 8.968 -7.131 112 3HB ALA 14 3HB ALA 14 -5.374 10.324 -8.005 113 H LYS 15 H LYS 15 -3.041 11.939 -6.273 114 HA LYS 15 HA LYS 15 -0.772 11.233 -8.040 115 1HB LYS 15 1HB LYS 15 -1.685 13.728 -6.590 116 2HB LYS 15 2HB LYS 15 0.001 13.577 -7.112 117 1HG LYS 15 1HG LYS 15 -0.575 13.273 -9.393 118 2HG LYS 15 2HG LYS 15 -2.291 13.026 -9.024 119 1HD LYS 15 1HD LYS 15 -2.596 15.339 -8.430 120 2HD LYS 15 2HD LYS 15 -0.854 15.640 -8.447 121 1HE LYS 15 1HE LYS 15 -2.108 16.501 -10.468 122 2HE LYS 15 2HE LYS 15 -0.700 15.495 -10.799 123 1HZ LYS 15 1HZ LYS 15 -3.488 14.456 -10.876 124 2HZ LYS 15 2HZ LYS 15 -2.593 14.887 -12.189 125 3HZ LYS 15 3HZ LYS 15 -2.134 13.643 -11.265 126 H LEU 16 H LEU 16 -1.494 11.729 -4.563 127 HA LEU 16 HA LEU 16 1.085 11.192 -3.589 128 1HB LEU 16 1HB LEU 16 -0.781 12.145 -2.307 129 2HB LEU 16 2HB LEU 16 -1.704 10.651 -2.471 130 HG LEU 16 HG LEU 16 -0.111 9.444 -1.093 131 1HD1 LEU 16 1HD1 LEU 16 1.411 12.079 -0.849 132 2HD1 LEU 16 2HD1 LEU 16 1.724 10.590 0.068 133 3HD1 LEU 16 3HD1 LEU 16 1.977 10.606 -1.665 134 1HD2 LEU 16 1HD2 LEU 16 -0.563 10.663 1.040 135 2HD2 LEU 16 2HD2 LEU 16 -1.002 12.104 0.111 136 3HD2 LEU 16 3HD2 LEU 16 -1.980 10.631 -0.015 137 H ALA 17 H ALA 17 -1.583 9.021 -4.614 138 HA ALA 17 HA ALA 17 -0.284 6.602 -3.965 139 1HB ALA 17 1HB ALA 17 -2.743 6.846 -4.556 140 2HB ALA 17 2HB ALA 17 -2.248 6.999 -6.253 141 3HB ALA 17 3HB ALA 17 -1.898 5.514 -5.373 142 H ALA 18 H ALA 18 -0.314 8.563 -7.002 143 HA ALA 18 HA ALA 18 1.272 6.860 -8.567 144 1HB ALA 18 1HB ALA 18 1.650 8.799 -9.972 145 2HB ALA 18 2HB ALA 18 -0.014 8.846 -9.375 146 3HB ALA 18 3HB ALA 18 1.224 9.904 -8.664 147 H GLU 19 H GLU 19 2.268 9.328 -6.172 148 HA GLU 19 HA GLU 19 5.098 9.053 -6.707 149 1HB GLU 19 1HB GLU 19 3.516 10.262 -4.407 150 2HB GLU 19 2HB GLU 19 5.300 10.281 -4.508 151 1HG GLU 19 1HG GLU 19 5.142 11.370 -6.721 152 2HG GLU 19 2HG GLU 19 3.392 11.462 -6.563 153 H ALA 20 H ALA 20 2.851 7.451 -4.423 154 HA ALA 20 HA ALA 20 4.891 5.896 -3.106 155 1HB ALA 20 1HB ALA 20 2.592 6.253 -2.217 156 2HB ALA 20 2HB ALA 20 1.927 5.249 -3.519 157 3HB ALA 20 3HB ALA 20 3.011 4.527 -2.320 158 H ILE 21 H ILE 21 2.788 5.221 -5.881 159 HA ILE 21 HA ILE 21 3.666 2.632 -6.580 160 HB ILE 21 HB ILE 21 2.487 5.031 -8.005 161 1HG1 ILE 21 1HG1 ILE 21 1.345 2.241 -7.603 162 2HG1 ILE 21 2HG1 ILE 21 1.176 3.516 -6.409 163 1HG2 ILE 21 1HG2 ILE 21 2.104 3.713 -10.060 164 2HG2 ILE 21 2HG2 ILE 21 3.800 4.068 -9.778 165 3HG2 ILE 21 3HG2 ILE 21 3.175 2.452 -9.420 166 1HD1 ILE 21 1HD1 ILE 21 0.020 3.509 -9.218 167 2HD1 ILE 21 2HD1 ILE 21 -0.835 3.478 -7.667 168 3HD1 ILE 21 3HD1 ILE 21 0.032 4.939 -8.157 169 H GLU 22 H GLU 22 5.130 5.830 -7.248 170 HA GLU 22 HA GLU 22 7.098 4.777 -9.039 171 1HB GLU 22 1HB GLU 22 6.303 7.136 -8.977 172 2HB GLU 22 2HB GLU 22 7.012 7.327 -7.383 173 1HG GLU 22 1HG GLU 22 8.498 8.380 -8.829 174 2HG GLU 22 2HG GLU 22 9.301 6.867 -8.455 175 H ARG 23 H ARG 23 6.783 4.439 -5.599 176 HA ARG 23 HA ARG 23 9.665 3.739 -5.307 177 1HB ARG 23 1HB ARG 23 8.473 5.820 -4.005 178 2HB ARG 23 2HB ARG 23 7.921 4.518 -2.964 179 1HG ARG 23 1HG ARG 23 10.282 3.818 -2.573 180 2HG ARG 23 2HG ARG 23 10.800 5.009 -3.776 181 1HD ARG 23 1HD ARG 23 9.490 6.702 -2.210 182 2HD ARG 23 2HD ARG 23 9.754 5.445 -1.006 183 HE ARG 23 HE ARG 23 12.137 6.204 -2.516 184 1HH1 ARG 23 2HH2 ARG 23 10.252 6.936 0.388 185 2HH1 ARG 23 1HH2 ARG 23 11.331 8.171 0.967 186 1HH2 ARG 23 2HH1 ARG 23 13.590 7.863 -1.741 187 2HH2 ARG 23 1HH1 ARG 23 13.412 8.495 -0.150 188 H ASP 24 H ASP 24 6.741 2.285 -5.775 189 HA ASP 24 HA ASP 24 7.392 0.032 -3.963 190 1HB ASP 24 1HB ASP 24 5.794 1.469 -2.800 191 2HB ASP 24 2HB ASP 24 4.689 1.359 -4.141 192 HA PRO 25 HA PRO 25 6.498 -1.722 -8.081 193 1HB PRO 25 1HB PRO 25 7.312 -4.305 -7.522 194 2HB PRO 25 2HB PRO 25 8.423 -2.981 -7.970 195 1HG PRO 25 1HG PRO 25 7.714 -4.005 -5.214 196 2HG PRO 25 2HG PRO 25 9.341 -3.630 -5.865 197 1HD PRO 25 1HD PRO 25 7.988 -1.898 -4.293 198 2HD PRO 25 2HD PRO 25 8.974 -1.298 -5.664 199 H TRP 26 H TRP 26 5.330 -2.824 -4.894 200 HA TRP 26 HA TRP 26 3.311 -4.615 -6.075 201 1HB TRP 26 1HB TRP 26 4.322 -5.236 -3.945 202 2HB TRP 26 2HB TRP 26 3.860 -3.696 -3.235 203 HD1 TRP 26 HD TRP 26 2.092 -4.012 -1.596 204 HE1 TRP 26 1HE TRP 26 -0.139 -5.268 -1.370 205 HE3 TRP 26 3HE TRP 26 2.269 -6.673 -5.931 206 HZ2 TRP 26 2HZ TRP 26 -1.568 -7.320 -2.850 207 HZ3 TRP 26 3HZ TRP 26 0.564 -8.388 -6.437 208 HH2 TRP 26 HH TRP 26 -1.380 -8.705 -4.901 209 H ALA 27 H ALA 27 3.483 -1.292 -4.505 210 HA ALA 27 HA ALA 27 0.663 -0.866 -4.715 211 1HB ALA 27 1HB ALA 27 1.121 1.514 -4.709 212 2HB ALA 27 2HB ALA 27 2.234 0.733 -3.567 213 3HB ALA 27 3HB ALA 27 2.802 1.240 -5.172 214 H ALA 28 H ALA 28 3.311 -0.537 -7.086 215 HA ALA 28 HA ALA 28 1.840 0.608 -9.239 216 1HB ALA 28 1HB ALA 28 3.720 -0.111 -10.622 217 2HB ALA 28 2HB ALA 28 4.354 0.499 -9.080 218 3HB ALA 28 3HB ALA 28 4.269 -1.243 -9.381 219 H GLN 29 H GLN 29 2.485 -2.782 -8.309 220 HA GLN 29 HA GLN 29 1.066 -3.972 -10.502 221 1HB GLN 29 1HB GLN 29 1.902 -4.939 -7.755 222 2HB GLN 29 2HB GLN 29 0.911 -5.949 -8.793 223 1HG GLN 29 1HG GLN 29 2.579 -5.743 -10.624 224 2HG GLN 29 2HG GLN 29 3.570 -4.734 -9.604 225 1HE2 GLN 29 1HE2 GLN 29 3.882 -7.589 -10.847 226 2HE2 GLN 29 2HE2 GLN 29 4.287 -8.638 -9.514 227 H VAL 30 H VAL 30 -0.044 -3.176 -7.135 228 HA VAL 30 HA VAL 30 -2.635 -4.278 -7.581 229 HB VAL 30 HB VAL 30 -1.674 -2.161 -5.596 230 1HG1 VAL 30 1HG1 VAL 30 -4.124 -1.947 -5.755 231 2HG1 VAL 30 2HG1 VAL 30 -4.313 -3.702 -5.588 232 3HG1 VAL 30 3HG1 VAL 30 -3.686 -2.733 -4.236 233 1HG2 VAL 30 1HG2 VAL 30 -2.258 -5.140 -5.253 234 2HG2 VAL 30 2HG2 VAL 30 -0.646 -4.433 -5.378 235 3HG2 VAL 30 3HG2 VAL 30 -1.659 -4.024 -3.998 236 H SER 31 H SER 31 -1.371 -0.967 -8.175 237 HA SER 31 HA SER 31 -4.010 -0.044 -8.901 238 1HB SER 31 1HB SER 31 -1.306 1.125 -8.680 239 2HB SER 31 2HB SER 31 -2.204 1.726 -10.083 240 HG SER 31 HG SER 31 -3.336 2.836 -8.840 241 H GLN 32 H GLN 32 -1.596 -1.853 -10.635 242 HA GLN 32 HA GLN 32 -2.696 -1.148 -13.250 243 1HB GLN 32 1HB GLN 32 -0.399 -1.964 -13.021 244 2HB GLN 32 2HB GLN 32 -0.961 -3.509 -12.371 245 1HG GLN 32 1HG GLN 32 -2.043 -4.108 -14.408 246 2HG GLN 32 2HG GLN 32 -1.874 -2.472 -15.068 247 1HE2 GLN 32 1HE2 GLN 32 -0.611 -5.526 -15.465 248 2HE2 GLN 32 2HE2 GLN 32 1.019 -5.070 -15.934 249 H LEU 33 H LEU 33 -2.962 -3.778 -10.864 250 HA LEU 33 HA LEU 33 -4.775 -5.486 -12.194 251 1HB LEU 33 1HB LEU 33 -4.487 -4.944 -9.197 252 2HB LEU 33 2HB LEU 33 -5.427 -6.255 -9.899 253 HG LEU 33 HG LEU 33 -2.419 -5.960 -10.127 254 1HD1 LEU 33 1HD1 LEU 33 -3.167 -6.561 -7.850 255 2HD1 LEU 33 2HD1 LEU 33 -4.050 -7.949 -8.520 256 3HD1 LEU 33 3HD1 LEU 33 -2.283 -7.865 -8.648 257 1HD2 LEU 33 1HD2 LEU 33 -2.725 -8.370 -10.966 258 2HD2 LEU 33 2HD2 LEU 33 -4.421 -7.935 -11.251 259 3HD2 LEU 33 3HD2 LEU 33 -3.138 -7.046 -12.080 260 H SER 34 H SER 34 -5.394 -2.921 -9.908 261 HA SER 34 HA SER 34 -7.203 -1.610 -9.402 262 1HB SER 34 1HB SER 34 -8.338 -2.364 -12.113 263 2HB SER 34 2HB SER 34 -8.754 -0.956 -11.115 264 HG SER 34 HG SER 34 -6.199 -1.571 -12.217 265 H LEU 35 H LEU 35 -7.575 -3.054 -7.745 266 HA LEU 35 HA LEU 35 -9.239 -5.451 -7.939 267 1HB LEU 35 1HB LEU 35 -7.712 -3.943 -5.821 268 2HB LEU 35 2HB LEU 35 -9.028 -4.939 -5.260 269 HG LEU 35 HG LEU 35 -8.086 -6.933 -6.326 270 1HD1 LEU 35 1HD1 LEU 35 -6.935 -6.007 -8.246 271 2HD1 LEU 35 2HD1 LEU 35 -5.812 -5.107 -7.191 272 3HD1 LEU 35 3HD1 LEU 35 -5.780 -6.889 -7.245 273 1HD2 LEU 35 1HD2 LEU 35 -7.392 -6.386 -4.041 274 2HD2 LEU 35 2HD2 LEU 35 -6.080 -7.171 -4.917 275 3HD2 LEU 35 3HD2 LEU 35 -6.040 -5.414 -4.662 276 HA PRO 36 HA PRO 36 -13.163 -3.532 -6.922 277 1HB PRO 36 1HB PRO 36 -14.334 -5.143 -5.025 278 2HB PRO 36 2HB PRO 36 -14.081 -5.639 -6.715 279 1HG PRO 36 1HG PRO 36 -12.317 -6.255 -4.332 280 2HG PRO 36 2HG PRO 36 -12.971 -7.399 -5.551 281 1HD PRO 36 1HD PRO 36 -10.473 -6.410 -5.779 282 2HD PRO 36 2HD PRO 36 -11.494 -6.607 -7.221 283 H LYS 37 H LYS 37 -13.429 -4.219 -3.498 284 HA LYS 37 HA LYS 37 -11.471 -2.121 -2.865 285 1HB LYS 37 1HB LYS 37 -13.844 -1.171 -3.342 286 2HB LYS 37 2HB LYS 37 -14.202 -1.679 -1.703 287 1HG LYS 37 1HG LYS 37 -12.572 -0.226 -0.751 288 2HG LYS 37 2HG LYS 37 -11.623 -0.181 -2.231 289 1HD LYS 37 1HD LYS 37 -13.604 1.100 -3.296 290 2HD LYS 37 2HD LYS 37 -14.157 1.336 -1.631 291 1HE LYS 37 1HE LYS 37 -12.850 3.255 -2.311 292 2HE LYS 37 2HE LYS 37 -11.948 2.371 -1.077 293 1HZ LYS 37 1HZ LYS 37 -10.602 3.087 -2.973 294 2HZ LYS 37 2HZ LYS 37 -10.537 1.459 -2.819 295 3HZ LYS 37 3HZ LYS 37 -11.445 2.128 -3.997 296 H LEU 38 H LEU 38 -13.807 -4.386 -1.530 297 HA LEU 38 HA LEU 38 -12.713 -4.510 1.088 298 1HB LEU 38 1HB LEU 38 -14.850 -5.585 0.267 299 2HB LEU 38 2HB LEU 38 -13.904 -6.816 -0.547 300 HG LEU 38 HG LEU 38 -14.882 -7.578 1.540 301 1HD1 LEU 38 1HD1 LEU 38 -11.889 -7.504 2.031 302 2HD1 LEU 38 2HD1 LEU 38 -13.060 -8.731 2.499 303 3HD1 LEU 38 3HD1 LEU 38 -12.653 -8.514 0.786 304 1HD2 LEU 38 1HD2 LEU 38 -13.132 -5.545 2.973 305 2HD2 LEU 38 2HD2 LEU 38 -14.882 -5.425 2.769 306 3HD2 LEU 38 3HD2 LEU 38 -14.189 -6.745 3.733 307 H VAL 39 H VAL 39 -11.979 -6.495 -1.778 308 HA VAL 39 HA VAL 39 -9.690 -7.761 -0.598 309 HB VAL 39 HB VAL 39 -10.454 -7.557 -3.540 310 1HG1 VAL 39 1HG1 VAL 39 -8.789 -9.618 -2.029 311 2HG1 VAL 39 2HG1 VAL 39 -9.285 -9.737 -3.730 312 3HG1 VAL 39 3HG1 VAL 39 -8.193 -8.451 -3.222 313 1HG2 VAL 39 1HG2 VAL 39 -11.373 -9.456 -1.337 314 2HG2 VAL 39 2HG2 VAL 39 -12.391 -8.424 -2.363 315 3HG2 VAL 39 3HG2 VAL 39 -11.569 -9.805 -3.057 316 H GLU 40 H GLU 40 -10.112 -4.728 -2.416 317 HA GLU 40 HA GLU 40 -7.339 -4.262 -3.000 318 1HB GLU 40 1HB GLU 40 -9.244 -2.914 -3.961 319 2HB GLU 40 2HB GLU 40 -9.517 -2.272 -2.335 320 1HG GLU 40 1HG GLU 40 -7.228 -1.318 -2.327 321 2HG GLU 40 2HG GLU 40 -7.053 -1.805 -4.015 322 H GLN 41 H GLN 41 -9.424 -3.594 -0.085 323 HA GLN 41 HA GLN 41 -7.433 -2.315 1.407 324 1HB GLN 41 1HB GLN 41 -9.947 -2.623 2.009 325 2HB GLN 41 2HB GLN 41 -9.479 -4.172 2.697 326 1HG GLN 41 1HG GLN 41 -7.940 -3.103 4.238 327 2HG GLN 41 2HG GLN 41 -8.159 -1.528 3.459 328 1HE2 GLN 41 1HE2 GLN 41 -10.726 -0.937 3.353 329 2HE2 GLN 41 2HE2 GLN 41 -11.562 -1.158 4.880 330 H VAL 42 H VAL 42 -8.067 -5.821 1.012 331 HA VAL 42 HA VAL 42 -6.092 -6.733 2.889 332 HB VAL 42 HB VAL 42 -7.377 -8.008 0.439 333 1HG1 VAL 42 1HG1 VAL 42 -6.484 -10.173 1.127 334 2HG1 VAL 42 2HG1 VAL 42 -5.162 -9.098 0.679 335 3HG1 VAL 42 3HG1 VAL 42 -5.499 -9.397 2.390 336 1HG2 VAL 42 1HG2 VAL 42 -8.547 -9.294 2.161 337 2HG2 VAL 42 2HG2 VAL 42 -7.575 -8.497 3.418 338 3HG2 VAL 42 3HG2 VAL 42 -8.750 -7.557 2.459 339 H ALA 43 H ALA 43 -5.886 -6.331 -0.684 340 HA ALA 43 HA ALA 43 -3.160 -7.019 -0.922 341 1HB ALA 43 1HB ALA 43 -3.301 -5.793 -3.078 342 2HB ALA 43 2HB ALA 43 -4.739 -6.804 -2.817 343 3HB ALA 43 3HB ALA 43 -4.818 -5.045 -2.559 344 H LEU 44 H LEU 44 -4.699 -3.993 -0.001 345 HA LEU 44 HA LEU 44 -2.268 -2.469 -0.232 346 1HB LEU 44 1HB LEU 44 -5.065 -1.800 0.721 347 2HB LEU 44 2HB LEU 44 -3.754 -0.663 0.876 348 HG LEU 44 HG LEU 44 -4.804 -1.750 -1.761 349 1HD1 LEU 44 1HD1 LEU 44 -5.575 0.574 -2.064 350 2HD1 LEU 44 2HD1 LEU 44 -6.251 -0.117 -0.586 351 3HD1 LEU 44 3HD1 LEU 44 -4.904 1.019 -0.468 352 1HD2 LEU 44 1HD2 LEU 44 -3.329 -0.042 -2.817 353 2HD2 LEU 44 2HD2 LEU 44 -2.528 0.208 -1.233 354 3HD2 LEU 44 3HD2 LEU 44 -2.442 -1.355 -2.078 355 H ASN 45 H ASN 45 -3.901 -4.279 2.323 356 HA ASN 45 HA ASN 45 -2.330 -2.835 4.381 357 1HB ASN 45 1HB ASN 45 -4.795 -4.586 4.460 358 2HB ASN 45 2HB ASN 45 -3.804 -4.440 5.879 359 1HD2 ASN 45 1HD2 ASN 45 -5.750 -2.561 3.627 360 2HD2 ASN 45 2HD2 ASN 45 -5.774 -1.083 4.620 361 H ALA 46 H ALA 46 -1.361 -5.002 2.327 362 HA ALA 46 HA ALA 46 0.272 -6.375 4.358 363 1HB ALA 46 1HB ALA 46 0.270 -8.340 2.776 364 2HB ALA 46 2HB ALA 46 -1.340 -8.025 3.455 365 3HB ALA 46 3HB ALA 46 -0.978 -7.507 1.815 366 H TRP 47 H TRP 47 2.329 -6.993 3.548 367 HA TRP 47 HA TRP 47 3.317 -5.295 1.302 368 1HB TRP 47 1HB TRP 47 5.525 -5.430 2.224 369 2HB TRP 47 2HB TRP 47 4.431 -4.658 3.344 370 HD1 TRP 47 HD TRP 47 3.954 -5.920 5.638 371 HE1 TRP 47 1HE TRP 47 5.404 -7.565 6.982 372 HE3 TRP 47 3HE TRP 47 6.989 -7.644 1.875 373 HZ2 TRP 47 2HZ TRP 47 7.550 -9.377 6.509 374 HZ3 TRP 47 3HZ TRP 47 8.706 -9.398 2.382 375 HH2 TRP 47 HH TRP 47 8.969 -10.276 4.634 376 H LYS 48 H LYS 48 4.125 -6.329 -0.392 377 HA LYS 48 HA LYS 48 3.430 -9.179 -0.545 378 1HB LYS 48 1HB LYS 48 2.572 -7.606 -2.202 379 2HB LYS 48 2HB LYS 48 4.133 -7.027 -2.578 380 1HG LYS 48 1HG LYS 48 4.076 -9.885 -3.038 381 2HG LYS 48 2HG LYS 48 2.663 -9.137 -3.807 382 1HD LYS 48 1HD LYS 48 4.231 -7.471 -4.897 383 2HD LYS 48 2HD LYS 48 5.594 -8.374 -4.215 384 1HE LYS 48 1HE LYS 48 4.859 -10.393 -5.466 385 2HE LYS 48 2HE LYS 48 3.492 -9.491 -6.133 386 1HZ LYS 48 1HZ LYS 48 5.528 -9.653 -7.584 387 2HZ LYS 48 2HZ LYS 48 4.918 -8.135 -7.346 388 3HZ LYS 48 3HZ LYS 48 6.281 -8.614 -6.581 389 H GLU 49 H GLU 49 4.867 -10.683 -0.127 390 HA GLU 49 HA GLU 49 7.729 -10.245 -0.787 391 1HB GLU 49 1HB GLU 49 7.274 -10.880 1.508 392 2HB GLU 49 2HB GLU 49 6.314 -12.265 1.005 393 1HG GLU 49 1HG GLU 49 8.146 -13.474 0.230 394 2HG GLU 49 2HG GLU 49 9.122 -12.029 -0.044 395 H GLU 50 H GLU 50 7.995 -10.879 -2.898 396 HA GLU 50 HA GLU 50 6.356 -13.089 -4.016 397 1HB GLU 50 1HB GLU 50 6.637 -11.151 -5.357 398 2HB GLU 50 2HB GLU 50 8.390 -11.243 -5.274 399 1HG GLU 50 1HG GLU 50 8.466 -13.111 -6.737 400 2HG GLU 50 2HG GLU 50 6.813 -13.585 -6.329 401 H SER 51 H SER 51 7.058 -15.019 -3.561 402 HA SER 51 HA SER 51 9.638 -15.450 -2.189 403 1HB SER 51 1HB SER 51 7.451 -15.867 -1.022 404 2HB SER 51 2HB SER 51 7.021 -17.017 -2.283 405 HG SER 51 HG SER 51 8.083 -17.571 -0.078 406 H ASP 52 H ASP 52 10.316 -17.851 -2.774 407 HA ASP 52 HA ASP 52 11.539 -18.039 -5.098 408 1HB ASP 52 1HB ASP 52 11.670 -19.675 -3.266 409 2HB ASP 52 2HB ASP 52 10.136 -20.383 -3.767 410 H ASN 53 H ASN 53 8.239 -19.459 -4.769 411 HA ASN 53 HA ASN 53 7.496 -18.438 -7.330 412 1HB ASN 53 1HB ASN 53 8.476 -20.555 -8.121 413 2HB ASN 53 2HB ASN 53 7.328 -21.449 -7.100 414 1HD2 ASN 53 1HD2 ASN 53 6.481 -22.337 -9.195 415 2HD2 ASN 53 2HD2 ASN 53 5.376 -21.365 -10.168 416 H ALA 54 H ALA 54 6.682 -17.545 -4.978 417 HA ALA 54 HA ALA 54 3.850 -18.185 -5.067 418 1HB ALA 54 1HB ALA 54 5.485 -18.448 -2.468 419 2HB ALA 54 2HB ALA 54 3.723 -18.408 -2.546 420 3HB ALA 54 3HB ALA 54 4.611 -19.750 -3.280 421 H VAL 55 H VAL 55 2.756 -16.414 -3.641 422 HA VAL 55 HA VAL 55 4.509 -14.030 -3.326 423 HB VAL 55 HB VAL 55 1.839 -13.920 -4.780 424 1HG1 VAL 55 1HG1 VAL 55 2.224 -11.912 -3.360 425 2HG1 VAL 55 2HG1 VAL 55 3.868 -11.777 -4.028 426 3HG1 VAL 55 3HG1 VAL 55 2.455 -11.503 -5.068 427 1HG2 VAL 55 1HG2 VAL 55 3.170 -13.117 -6.697 428 2HG2 VAL 55 2HG2 VAL 55 4.661 -13.238 -5.754 429 3HG2 VAL 55 3HG2 VAL 55 3.793 -14.700 -6.216 430 H CYS 56 H CYS 56 4.578 -13.969 -1.208 431 HA CYS 56 HA CYS 56 2.229 -14.757 0.400 432 1HB CYS 56 1HB CYS 56 5.122 -14.162 1.181 433 2HB CYS 56 2HB CYS 56 3.878 -14.863 2.233 434 HG CYS 56 HG CYS 56 5.770 -16.639 1.323 435 H LEU 57 H LEU 57 0.858 -13.015 0.626 436 HA LEU 57 HA LEU 57 1.932 -10.290 0.920 437 1HB LEU 57 1HB LEU 57 -0.811 -11.535 0.707 438 2HB LEU 57 2HB LEU 57 -0.674 -9.949 1.445 439 HG LEU 57 HG LEU 57 0.577 -10.603 -1.250 440 1HD1 LEU 57 1HD1 LEU 57 -2.029 -9.118 -0.815 441 2HD1 LEU 57 2HD1 LEU 57 -1.274 -9.629 -2.350 442 3HD1 LEU 57 3HD1 LEU 57 -1.927 -10.842 -1.224 443 1HD2 LEU 57 1HD2 LEU 57 -0.255 -7.858 -0.196 444 2HD2 LEU 57 2HD2 LEU 57 1.382 -8.485 0.004 445 3HD2 LEU 57 3HD2 LEU 57 0.695 -8.276 -1.608 446 H HIS 58 H HIS 58 2.944 -9.938 2.714 447 HA HIS 58 HA HIS 58 2.214 -11.240 5.287 448 1HB HIS 58 1HB HIS 58 4.276 -9.208 4.442 449 2HB HIS 58 2HB HIS 58 4.027 -9.643 6.123 450 HD1 HIS 58 HD1 HIS 58 6.007 -11.291 6.855 451 HD2 HIS 58 HD2 HIS 58 4.897 -11.495 2.793 452 HE1 HIS 58 HE1 HIS 58 7.573 -12.890 5.754 453 HE2 HIS 58 HE2 HIS 58 6.994 -13.060 3.351 454 H LEU 59 H LEU 59 0.256 -10.587 5.898 455 HA LEU 59 HA LEU 59 -0.728 -7.824 5.559 456 1HB LEU 59 1HB LEU 59 -2.019 -9.925 4.931 457 2HB LEU 59 2HB LEU 59 -1.965 -10.397 6.619 458 HG LEU 59 HG LEU 59 -3.169 -7.893 6.812 459 1HD1 LEU 59 1HD1 LEU 59 -5.023 -7.925 5.141 460 2HD1 LEU 59 2HD1 LEU 59 -3.469 -7.695 4.326 461 3HD1 LEU 59 3HD1 LEU 59 -4.257 -9.284 4.309 462 1HD2 LEU 59 1HD2 LEU 59 -3.863 -9.965 7.926 463 2HD2 LEU 59 2HD2 LEU 59 -5.258 -9.282 7.054 464 3HD2 LEU 59 3HD2 LEU 59 -4.357 -10.655 6.371 465 H ARG 60 H ARG 60 -0.932 -6.428 7.276 466 HA ARG 60 HA ARG 60 0.360 -6.965 9.763 467 1HB ARG 60 1HB ARG 60 -1.812 -4.958 9.056 468 2HB ARG 60 2HB ARG 60 -1.028 -4.999 10.633 469 1HG ARG 60 1HG ARG 60 0.489 -4.625 8.022 470 2HG ARG 60 2HG ARG 60 -0.124 -3.306 9.030 471 1HD ARG 60 1HD ARG 60 1.270 -3.982 10.903 472 2HD ARG 60 2HD ARG 60 1.846 -5.390 10.036 473 HE ARG 60 HE ARG 60 3.251 -4.135 8.769 474 1HH1 ARG 60 2HH2 ARG 60 1.186 -1.778 10.454 475 2HH1 ARG 60 1HH2 ARG 60 1.761 -0.433 9.499 476 1HH2 ARG 60 2HH1 ARG 60 4.142 -2.423 7.782 477 2HH2 ARG 60 1HH1 ARG 60 3.566 -0.767 8.073 478 H SER 61 H SER 61 -0.280 -7.958 11.632 479 HA SER 61 HA SER 61 -2.618 -9.522 11.758 480 1HB SER 61 1HB SER 61 -1.944 -9.777 14.121 481 2HB SER 61 2HB SER 61 -0.579 -9.902 13.014 482 HG SER 61 HG SER 61 0.113 -8.559 14.564 483 H SER 62 H SER 62 -2.040 -6.100 12.560 484 HA SER 62 HA SER 62 -4.277 -5.363 14.008 485 1HB SER 62 1HB SER 62 -3.090 -3.793 11.685 486 2HB SER 62 2HB SER 62 -3.789 -3.151 13.166 487 HG SER 62 HG SER 62 -1.548 -3.071 13.212 488 H GLN 63 H GLN 63 -3.947 -6.333 10.709 489 HA GLN 63 HA GLN 63 -6.726 -5.584 9.979 490 1HB GLN 63 1HB GLN 63 -4.353 -5.966 8.142 491 2HB GLN 63 2HB GLN 63 -5.927 -5.278 7.736 492 1HG GLN 63 1HG GLN 63 -3.894 -4.005 9.643 493 2HG GLN 63 2HG GLN 63 -4.095 -3.627 7.975 494 1HE2 GLN 63 1HE2 GLN 63 -4.887 -1.600 7.935 495 2HE2 GLN 63 2HE2 GLN 63 -6.215 -0.988 8.918 496 H ARG 64 H ARG 64 -5.190 -8.295 11.051 497 HA ARG 64 HA ARG 64 -5.797 -10.224 9.069 498 1HB ARG 64 1HB ARG 64 -5.672 -11.902 10.745 499 2HB ARG 64 2HB ARG 64 -4.459 -10.684 11.076 500 1HG ARG 64 1HG ARG 64 -5.248 -10.947 13.199 501 2HG ARG 64 2HG ARG 64 -6.372 -9.713 12.670 502 1HD ARG 64 1HD ARG 64 -7.731 -11.993 11.929 503 2HD ARG 64 2HD ARG 64 -6.825 -12.562 13.336 504 HE ARG 64 HE ARG 64 -7.853 -10.203 14.220 505 1HH1 ARG 64 2HH2 ARG 64 -9.136 -13.366 13.344 506 2HH1 ARG 64 1HH2 ARG 64 -10.750 -13.018 13.897 507 1HH2 ARG 64 2HH1 ARG 64 -10.088 -9.659 14.753 508 2HH2 ARG 64 1HH1 ARG 64 -11.291 -10.904 14.637 509 H HIS 65 H HIS 65 -7.990 -8.328 10.999 510 HA HIS 65 HA HIS 65 -10.267 -10.030 10.790 511 1HB HIS 65 1HB HIS 65 -11.600 -8.051 11.201 512 2HB HIS 65 2HB HIS 65 -10.307 -8.246 12.352 513 HD1 HIS 65 HD1 HIS 65 -8.290 -6.294 12.256 514 HD2 HIS 65 HD2 HIS 65 -11.725 -5.791 9.799 515 HE1 HIS 65 HE1 HIS 65 -8.294 -3.878 11.464 516 HE2 HIS 65 HE2 HIS 65 -10.296 -3.588 9.890 517 H LEU 66 H LEU 66 -8.621 -8.201 8.253 518 HA LEU 66 HA LEU 66 -10.920 -8.478 6.406 519 1HB LEU 66 1HB LEU 66 -8.221 -7.095 6.336 520 2HB LEU 66 2HB LEU 66 -8.945 -7.589 4.836 521 HG LEU 66 HG LEU 66 -9.358 -5.245 5.296 522 1HD1 LEU 66 1HD1 LEU 66 -11.708 -5.198 4.757 523 2HD1 LEU 66 2HD1 LEU 66 -10.881 -6.475 3.850 524 3HD1 LEU 66 3HD1 LEU 66 -11.912 -6.894 5.239 525 1HD2 LEU 66 1HD2 LEU 66 -9.565 -5.382 7.761 526 2HD2 LEU 66 2HD2 LEU 66 -10.952 -4.568 7.016 527 3HD2 LEU 66 3HD2 LEU 66 -11.129 -6.237 7.573 528 H ASN 67 H ASN 67 -8.359 -10.468 7.510 529 HA ASN 67 HA ASN 67 -7.508 -11.577 4.974 530 1HB ASN 67 1HB ASN 67 -6.187 -11.493 7.168 531 2HB ASN 67 2HB ASN 67 -7.195 -12.757 7.791 532 1HD2 ASN 67 1HD2 ASN 67 -7.394 -14.654 5.893 533 2HD2 ASN 67 2HD2 ASN 67 -5.812 -15.204 5.344 534 H ASN 68 H ASN 68 -9.353 -12.437 3.828 535 HA ASN 68 HA ASN 68 -10.393 -14.900 5.134 536 1HB ASN 68 1HB ASN 68 -12.599 -14.572 4.654 537 2HB ASN 68 2HB ASN 68 -12.095 -12.997 5.201 538 1HD2 ASN 68 1HD2 ASN 68 -13.382 -14.847 2.613 539 2HD2 ASN 68 2HD2 ASN 68 -13.705 -13.541 1.498 540 H ARG 69 H ARG 69 -11.005 -16.637 3.730 541 HA ARG 69 HA ARG 69 -8.938 -16.951 1.724 542 1HB ARG 69 1HB ARG 69 -11.269 -18.745 2.537 543 2HB ARG 69 2HB ARG 69 -10.198 -19.113 1.190 544 1HG ARG 69 1HG ARG 69 -9.181 -20.300 2.867 545 2HG ARG 69 2HG ARG 69 -8.230 -18.820 2.828 546 1HD ARG 69 1HD ARG 69 -10.108 -18.170 4.721 547 2HD ARG 69 2HD ARG 69 -10.066 -19.912 4.938 548 HE ARG 69 HE ARG 69 -8.171 -17.971 5.789 549 1HH1 ARG 69 2HH2 ARG 69 -8.316 -21.397 4.784 550 2HH1 ARG 69 1HH2 ARG 69 -6.870 -21.806 5.642 551 1HH2 ARG 69 2HH1 ARG 69 -6.118 -18.494 6.654 552 2HH2 ARG 69 1HH1 ARG 69 -5.440 -20.064 6.390 553 H GLY 70 H GLY 70 -12.410 -16.193 1.485 554 1HA GLY 70 1HA GLY 70 -12.520 -16.368 -1.370 555 2HA GLY 70 2HA GLY 70 -13.573 -15.384 -0.357 556 H ALA 71 H ALA 71 -11.369 -13.701 0.826 557 HA ALA 71 HA ALA 71 -11.049 -11.786 -1.299 558 1HB ALA 71 1HB ALA 71 -9.454 -10.653 0.253 559 2HB ALA 71 2HB ALA 71 -11.023 -10.950 0.992 560 3HB ALA 71 3HB ALA 71 -9.632 -11.976 1.407 561 H GLN 72 H GLN 72 -8.894 -14.271 0.180 562 HA GLN 72 HA GLN 72 -6.570 -13.683 -1.283 563 1HB GLN 72 1HB GLN 72 -6.642 -15.360 0.593 564 2HB GLN 72 2HB GLN 72 -7.678 -16.380 -0.376 565 1HG GLN 72 1HG GLN 72 -5.737 -16.487 -2.103 566 2HG GLN 72 2HG GLN 72 -4.758 -15.780 -0.818 567 1HE2 GLN 72 1HE2 GLN 72 -3.493 -17.642 -0.578 568 2HE2 GLN 72 2HE2 GLN 72 -4.059 -19.119 0.201 569 H GLN 73 H GLN 73 -9.243 -15.974 -2.151 570 HA GLN 73 HA GLN 73 -7.972 -16.685 -4.574 571 1HB GLN 73 1HB GLN 73 -9.862 -17.873 -3.332 572 2HB GLN 73 2HB GLN 73 -10.983 -16.797 -4.174 573 1HG GLN 73 1HG GLN 73 -10.225 -17.605 -6.348 574 2HG GLN 73 2HG GLN 73 -8.863 -18.458 -5.609 575 1HE2 GLN 73 1HE2 GLN 73 -9.704 -20.403 -6.820 576 2HE2 GLN 73 2HE2 GLN 73 -11.125 -21.223 -6.189 577 H LYS 74 H LYS 74 -10.308 -14.117 -3.903 578 HA LYS 74 HA LYS 74 -10.632 -13.262 -6.641 579 1HB LYS 74 1HB LYS 74 -12.135 -12.556 -4.790 580 2HB LYS 74 2HB LYS 74 -10.814 -11.671 -4.052 581 1HG LYS 74 1HG LYS 74 -12.321 -10.162 -5.179 582 2HG LYS 74 2HG LYS 74 -10.760 -10.096 -5.979 583 1HD LYS 74 1HD LYS 74 -12.915 -11.937 -7.057 584 2HD LYS 74 2HD LYS 74 -13.059 -10.189 -7.285 585 1HE LYS 74 1HE LYS 74 -10.905 -10.102 -8.430 586 2HE LYS 74 2HE LYS 74 -10.661 -11.828 -8.194 587 1HZ LYS 74 1HZ LYS 74 -12.251 -12.353 -9.708 588 2HZ LYS 74 2HZ LYS 74 -13.036 -10.905 -9.663 589 3HZ LYS 74 3HZ LYS 74 -11.545 -11.065 -10.392 590 H LEU 75 H LEU 75 -8.290 -12.358 -4.079 591 HA LEU 75 HA LEU 75 -6.863 -10.399 -5.621 592 1HB LEU 75 1HB LEU 75 -6.718 -11.409 -3.004 593 2HB LEU 75 2HB LEU 75 -5.342 -12.084 -3.683 594 HG LEU 75 HG LEU 75 -6.072 -9.143 -3.513 595 1HD1 LEU 75 1HD1 LEU 75 -4.239 -9.100 -1.841 596 2HD1 LEU 75 2HD1 LEU 75 -5.539 -10.219 -1.405 597 3HD1 LEU 75 3HD1 LEU 75 -4.033 -10.857 -2.065 598 1HD2 LEU 75 1HD2 LEU 75 -3.408 -10.164 -4.560 599 2HD2 LEU 75 2HD2 LEU 75 -4.685 -9.437 -5.549 600 3HD2 LEU 75 3HD2 LEU 75 -3.888 -8.491 -4.290 601 H ALA 76 H ALA 76 -6.634 -13.928 -5.276 602 HA ALA 76 HA ALA 76 -4.199 -14.288 -6.678 603 1HB ALA 76 1HB ALA 76 -4.737 -16.636 -6.682 604 2HB ALA 76 2HB ALA 76 -5.204 -15.973 -5.107 605 3HB ALA 76 3HB ALA 76 -6.442 -16.323 -6.337 606 H GLU 77 H GLU 77 -7.611 -14.505 -7.769 607 HA GLU 77 HA GLU 77 -7.111 -15.197 -10.438 608 1HB GLU 77 1HB GLU 77 -9.292 -15.120 -9.195 609 2HB GLU 77 2HB GLU 77 -9.250 -13.358 -9.242 610 1HG GLU 77 1HG GLU 77 -9.397 -13.388 -11.689 611 2HG GLU 77 2HG GLU 77 -9.319 -15.144 -11.710 612 H ALA 78 H ALA 78 -6.887 -12.063 -8.835 613 HA ALA 78 HA ALA 78 -6.417 -10.500 -11.253 614 1HB ALA 78 1HB ALA 78 -7.284 -9.584 -9.045 615 2HB ALA 78 2HB ALA 78 -5.643 -9.756 -8.402 616 3HB ALA 78 3HB ALA 78 -5.957 -8.685 -9.781 617 H LEU 79 H LEU 79 -4.190 -11.649 -8.613 618 HA LEU 79 HA LEU 79 -1.858 -10.797 -9.953 619 1HB LEU 79 1HB LEU 79 -2.541 -12.133 -7.517 620 2HB LEU 79 2HB LEU 79 -1.307 -13.120 -8.284 621 HG LEU 79 HG LEU 79 -1.057 -10.104 -7.865 622 1HD1 LEU 79 1HD1 LEU 79 -1.286 -11.206 -5.720 623 2HD1 LEU 79 2HD1 LEU 79 -0.048 -12.404 -6.155 624 3HD1 LEU 79 3HD1 LEU 79 0.388 -10.692 -5.942 625 1HD2 LEU 79 1HD2 LEU 79 1.357 -10.481 -8.233 626 2HD2 LEU 79 2HD2 LEU 79 1.075 -12.214 -8.487 627 3HD2 LEU 79 3HD2 LEU 79 0.447 -11.033 -9.641 628 H SER 80 H SER 80 -3.640 -13.812 -10.247 629 HA SER 80 HA SER 80 -1.781 -15.393 -11.743 630 1HB SER 80 1HB SER 80 -4.826 -15.335 -11.641 631 2HB SER 80 2HB SER 80 -3.883 -16.626 -12.373 632 HG SER 80 HG SER 80 -4.070 -15.796 -9.703 633 H MET 81 H MET 81 -4.173 -12.848 -12.633 634 HA MET 81 HA MET 81 -4.001 -13.256 -15.483 635 1HB MET 81 1HB MET 81 -5.902 -12.125 -14.166 636 2HB MET 81 2HB MET 81 -4.834 -10.723 -13.993 637 1HG MET 81 1HG MET 81 -6.183 -10.290 -15.886 638 2HG MET 81 2HG MET 81 -4.594 -10.708 -16.503 639 1HE MET 81 1HE MET 81 -6.413 -10.669 -18.633 640 2HE MET 81 2HE MET 81 -4.879 -11.561 -18.783 641 3HE MET 81 3HE MET 81 -6.386 -12.274 -19.387 642 H LEU 82 H LEU 82 -2.540 -11.033 -13.132 643 HA LEU 82 HA LEU 82 -0.978 -9.488 -14.942 644 1HB LEU 82 1HB LEU 82 -1.602 -8.670 -12.829 645 2HB LEU 82 2HB LEU 82 -0.938 -10.065 -11.973 646 HG LEU 82 HG LEU 82 1.362 -9.296 -12.556 647 1HD1 LEU 82 1HD1 LEU 82 -0.108 -6.825 -13.587 648 2HD1 LEU 82 2HD1 LEU 82 1.640 -6.923 -13.307 649 3HD1 LEU 82 3HD1 LEU 82 0.898 -7.928 -14.556 650 1HD2 LEU 82 1HD2 LEU 82 -0.338 -7.224 -11.102 651 2HD2 LEU 82 2HD2 LEU 82 0.191 -8.771 -10.401 652 3HD2 LEU 82 3HD2 LEU 82 1.388 -7.575 -10.875 653 H LYS 83 H LYS 83 -0.051 -12.258 -12.832 654 HA LYS 83 HA LYS 83 2.669 -12.349 -13.856 655 1HB LYS 83 1HB LYS 83 1.809 -13.180 -11.580 656 2HB LYS 83 2HB LYS 83 1.097 -14.541 -12.435 657 1HG LYS 83 1HG LYS 83 3.025 -15.648 -12.375 658 2HG LYS 83 2HG LYS 83 3.880 -14.353 -13.226 659 1HD LYS 83 1HD LYS 83 4.317 -13.232 -11.041 660 2HD LYS 83 2HD LYS 83 3.440 -14.530 -10.209 661 1HE LYS 83 1HE LYS 83 5.075 -16.168 -11.301 662 2HE LYS 83 2HE LYS 83 6.003 -14.768 -11.840 663 1HZ LYS 83 1HZ LYS 83 5.426 -15.519 -9.046 664 2HZ LYS 83 2HZ LYS 83 6.863 -15.643 -9.793 665 3HZ LYS 83 3HZ LYS 83 6.216 -14.139 -9.457 666 H GLY 84 H GLY 84 -0.421 -13.897 -14.845 667 1HA GLY 84 1HA GLY 84 -0.916 -14.968 -16.801 668 2HA GLY 84 2HA GLY 84 0.711 -14.634 -17.405 669 H SER 85 H SER 85 0.856 -16.117 -14.318 670 HA SER 85 HA SER 85 0.805 -18.869 -15.228 671 1HB SER 85 1HB SER 85 3.125 -19.143 -14.091 672 2HB SER 85 2HB SER 85 3.025 -18.547 -15.749 673 HG SER 85 HG SER 85 4.442 -17.300 -14.682 674 H THR 86 H THR 86 1.451 -20.238 -13.049 675 HA THR 86 HA THR 86 -0.711 -19.606 -11.318 676 HB THR 86 HB THR 86 1.474 -21.595 -10.695 677 HG1 THR 86 1HG THR 86 -0.529 -21.913 -12.708 678 1HG2 THR 86 1HG2 THR 86 -0.445 -22.990 -9.989 679 2HG2 THR 86 2HG2 THR 86 -0.431 -21.437 -9.141 680 3HG2 THR 86 3HG2 THR 86 -1.571 -21.707 -10.480 681 H VAL 87 H VAL 87 -0.690 -18.258 -9.579 682 HA VAL 87 HA VAL 87 1.916 -17.675 -8.197 683 HB VAL 87 HB VAL 87 -0.651 -16.030 -8.118 684 1HG1 VAL 87 1HG1 VAL 87 1.074 -15.662 -6.354 685 2HG1 VAL 87 2HG1 VAL 87 2.257 -15.329 -7.646 686 3HG1 VAL 87 3HG1 VAL 87 0.862 -14.252 -7.401 687 1HG2 VAL 87 1HG2 VAL 87 -0.105 -15.991 -10.451 688 2HG2 VAL 87 2HG2 VAL 87 0.508 -14.484 -9.770 689 3HG2 VAL 87 3HG2 VAL 87 1.622 -15.836 -10.119 690 H GLU 88 H GLU 88 2.104 -18.664 -6.198 691 HA GLU 88 HA GLU 88 -0.369 -19.672 -4.893 692 1HB GLU 88 1HB GLU 88 2.587 -20.087 -4.460 693 2HB GLU 88 2HB GLU 88 1.495 -20.286 -3.084 694 1HG GLU 88 1HG GLU 88 1.115 -21.730 -5.729 695 2HG GLU 88 2HG GLU 88 2.030 -22.384 -4.370 696 H LEU 89 H LEU 89 -1.354 -17.712 -4.649 697 HA LEU 89 HA LEU 89 0.030 -15.508 -3.366 698 1HB LEU 89 1HB LEU 89 -1.508 -15.089 -5.145 699 2HB LEU 89 2HB LEU 89 -2.829 -15.881 -4.271 700 HG LEU 89 HG LEU 89 -2.871 -14.141 -2.566 701 1HD1 LEU 89 1HD1 LEU 89 -0.369 -13.054 -3.888 702 2HD1 LEU 89 2HD1 LEU 89 -1.474 -12.023 -2.980 703 3HD1 LEU 89 3HD1 LEU 89 -0.694 -13.363 -2.151 704 1HD2 LEU 89 1HD2 LEU 89 -3.307 -12.203 -4.100 705 2HD2 LEU 89 2HD2 LEU 89 -2.680 -13.166 -5.436 706 3HD2 LEU 89 3HD2 LEU 89 -4.085 -13.739 -4.486 707 H THR 90 H THR 90 0.485 -15.876 -1.250 708 HA THR 90 HA THR 90 -1.561 -17.220 0.480 709 HB THR 90 HB THR 90 1.291 -16.554 1.210 710 HG1 THR 90 1HG THR 90 0.883 -17.933 -0.824 711 1HG2 THR 90 1HG2 THR 90 -0.606 -18.734 2.132 712 2HG2 THR 90 2HG2 THR 90 1.091 -18.583 2.636 713 3HG2 THR 90 3HG2 THR 90 -0.072 -17.326 3.071 714 H ILE 91 H ILE 91 -2.018 -16.106 2.549 715 HA ILE 91 HA ILE 91 -1.151 -13.292 2.714 716 HB ILE 91 HB ILE 91 -3.895 -14.195 3.611 717 1HG1 ILE 91 1HG1 ILE 91 -3.326 -12.671 1.025 718 2HG1 ILE 91 2HG1 ILE 91 -3.751 -14.388 1.084 719 1HG2 ILE 91 1HG2 ILE 91 -2.710 -11.429 3.045 720 2HG2 ILE 91 2HG2 ILE 91 -4.257 -11.786 3.853 721 3HG2 ILE 91 3HG2 ILE 91 -2.748 -12.195 4.647 722 1HD1 ILE 91 1HD1 ILE 91 -5.514 -12.146 2.101 723 2HD1 ILE 91 2HD1 ILE 91 -5.720 -13.094 0.628 724 3HD1 ILE 91 3HD1 ILE 91 -5.858 -13.887 2.218 725 H VAL 92 H VAL 92 0.210 -13.346 4.413 726 HA VAL 92 HA VAL 92 -0.169 -15.410 6.539 727 HB VAL 92 HB VAL 92 2.194 -15.300 6.940 728 1HG1 VAL 92 1HG1 VAL 92 1.390 -16.925 5.233 729 2HG1 VAL 92 2HG1 VAL 92 1.751 -15.738 3.951 730 3HG1 VAL 92 3HG1 VAL 92 3.056 -16.408 4.938 731 1HG2 VAL 92 1HG2 VAL 92 3.808 -14.196 5.439 732 2HG2 VAL 92 2HG2 VAL 92 2.470 -13.385 4.598 733 3HG2 VAL 92 3HG2 VAL 92 2.809 -13.047 6.322 734 H GLU 93 H GLU 93 0.084 -14.600 8.709 735 HA GLU 93 HA GLU 93 -0.561 -11.695 8.905 736 1HB GLU 93 1HB GLU 93 -0.777 -12.148 11.372 737 2HB GLU 93 2HB GLU 93 -2.063 -12.684 10.335 738 1HG GLU 93 1HG GLU 93 0.129 -14.555 11.310 739 2HG GLU 93 2HG GLU 93 -1.324 -14.216 12.242 740 H ASP 94 H ASP 94 0.937 -10.260 9.535 741 HA ASP 94 HA ASP 94 3.456 -11.212 10.719 742 1HB ASP 94 1HB ASP 94 3.687 -11.189 8.230 743 2HB ASP 94 2HB ASP 94 3.306 -9.460 8.253 744 H ASP 95 H ASP 95 4.053 -10.011 12.381 745 HA ASP 95 HA ASP 95 2.518 -7.573 12.938 746 1HB ASP 95 1HB ASP 95 3.729 -9.723 14.482 747 2HB ASP 95 2HB ASP 95 4.353 -8.187 15.061 748 H ASN 96 H ASN 96 6.033 -8.442 12.840 749 HA ASN 96 HA ASN 96 6.852 -5.816 13.614 750 1HB ASN 96 1HB ASN 96 8.320 -7.658 14.044 751 2HB ASN 96 2HB ASN 96 8.399 -8.072 12.322 752 1HD2 ASN 96 1HD2 ASN 96 10.329 -7.344 11.353 753 2HD2 ASN 96 2HD2 ASN 96 11.130 -5.853 11.760 754 HA PRO 97 HA PRO 97 6.359 -4.089 9.466 755 1HB PRO 97 1HB PRO 97 6.596 -1.454 9.972 756 2HB PRO 97 2HB PRO 97 5.214 -2.422 10.571 757 1HG PRO 97 1HG PRO 97 7.746 -1.712 12.099 758 2HG PRO 97 2HG PRO 97 6.051 -1.451 12.608 759 1HD PRO 97 1HD PRO 97 7.485 -3.648 13.361 760 2HD PRO 97 2HD PRO 97 5.733 -3.745 13.023 761 H ALA 98 H ALA 98 8.491 -5.387 9.321 762 HA ALA 98 HA ALA 98 10.978 -3.923 9.088 763 1HB ALA 98 1HB ALA 98 10.067 -6.549 7.847 764 2HB ALA 98 2HB ALA 98 11.734 -5.955 7.825 765 3HB ALA 98 3HB ALA 98 10.981 -6.380 9.364 766 H VAL 99 H VAL 99 8.355 -4.508 7.074 767 HA VAL 99 HA VAL 99 9.534 -3.041 4.764 768 HB VAL 99 HB VAL 99 7.754 -5.470 4.630 769 1HG1 VAL 99 1HG1 VAL 99 7.337 -3.983 2.726 770 2HG1 VAL 99 2HG1 VAL 99 9.075 -3.897 2.378 771 3HG1 VAL 99 3HG1 VAL 99 8.192 -5.421 2.186 772 1HG2 VAL 99 1HG2 VAL 99 10.721 -5.191 3.989 773 2HG2 VAL 99 2HG2 VAL 99 10.000 -6.201 5.262 774 3HG2 VAL 99 3HG2 VAL 99 9.727 -6.606 3.570 775 H ARG 100 H ARG 100 8.035 -1.665 3.711 776 HA ARG 100 HA ARG 100 5.753 -0.771 5.386 777 1HB ARG 100 1HB ARG 100 6.742 0.251 2.707 778 2HB ARG 100 2HB ARG 100 5.630 1.060 3.787 779 1HG ARG 100 1HG ARG 100 8.638 0.713 4.091 780 2HG ARG 100 2HG ARG 100 7.728 2.183 3.872 781 1HD ARG 100 1HD ARG 100 6.617 1.394 6.196 782 2HD ARG 100 2HD ARG 100 8.149 0.536 6.362 783 HE ARG 100 HE ARG 100 7.590 3.353 6.560 784 1HH1 ARG 100 2HH2 ARG 100 10.313 1.161 5.829 785 2HH1 ARG 100 1HH2 ARG 100 11.506 2.273 6.379 786 1HH2 ARG 100 2HH1 ARG 100 9.175 4.897 7.072 787 2HH2 ARG 100 1HH1 ARG 100 10.842 4.397 7.165 788 H THR 101 H THR 101 3.540 -0.760 4.606 789 HA THR 101 HA THR 101 2.904 -2.773 2.551 790 HB THR 101 HB THR 101 0.568 -2.215 3.296 791 HG1 THR 101 1HG THR 101 0.350 -0.796 5.106 792 1HG2 THR 101 1HG2 THR 101 2.376 -2.754 5.695 793 2HG2 THR 101 2HG2 THR 101 0.661 -3.166 5.530 794 3HG2 THR 101 3HG2 THR 101 1.867 -3.979 4.520 795 HA PRO 102 HA PRO 102 2.526 0.533 -0.450 796 1HB PRO 102 1HB PRO 102 0.334 0.015 -1.978 797 2HB PRO 102 2HB PRO 102 1.787 -1.033 -2.025 798 1HG PRO 102 1HG PRO 102 -0.666 -1.358 -0.388 799 2HG PRO 102 2HG PRO 102 0.069 -2.598 -1.453 800 1HD PRO 102 1HD PRO 102 0.534 -2.594 1.217 801 2HD PRO 102 2HD PRO 102 1.902 -2.901 0.113 802 H LEU 103 H LEU 103 -0.195 -0.095 1.714 803 HA LEU 103 HA LEU 103 -1.554 2.433 1.361 804 1HB LEU 103 1HB LEU 103 -2.562 0.394 2.294 805 2HB LEU 103 2HB LEU 103 -1.528 0.468 3.704 806 HG LEU 103 HG LEU 103 -3.437 2.729 2.944 807 1HD1 LEU 103 1HD1 LEU 103 -4.719 0.622 3.104 808 2HD1 LEU 103 2HD1 LEU 103 -4.000 0.320 4.709 809 3HD1 LEU 103 3HD1 LEU 103 -5.086 1.699 4.461 810 1HD2 LEU 103 1HD2 LEU 103 -3.444 3.025 5.484 811 2HD2 LEU 103 2HD2 LEU 103 -2.078 1.908 5.556 812 3HD2 LEU 103 3HD2 LEU 103 -1.932 3.460 4.697 813 H GLU 104 H GLU 104 0.785 1.142 3.867 814 HA GLU 104 HA GLU 104 1.059 3.742 5.046 815 1HB GLU 104 1HB GLU 104 2.669 1.185 5.329 816 2HB GLU 104 2HB GLU 104 3.203 2.699 6.047 817 1HG GLU 104 1HG GLU 104 0.950 2.980 7.127 818 2HG GLU 104 2HG GLU 104 0.513 1.371 6.562 819 H TRP 105 H TRP 105 2.653 2.220 2.230 820 HA TRP 105 HA TRP 105 4.710 4.217 2.078 821 1HB TRP 105 1HB TRP 105 3.495 2.296 0.130 822 2HB TRP 105 2HB TRP 105 4.244 3.724 -0.545 823 HD1 TRP 105 HD TRP 105 5.201 0.377 -0.002 824 HE1 TRP 105 1HE TRP 105 7.737 0.096 0.234 825 HE3 TRP 105 3HE TRP 105 6.459 5.246 0.916 826 HZ2 TRP 105 2HZ TRP 105 10.018 1.778 0.787 827 HZ3 TRP 105 3HZ TRP 105 8.800 5.888 1.314 828 HH2 TRP 105 HH TRP 105 10.599 4.155 1.344 829 H ARG 106 H ARG 106 1.393 4.114 0.675 830 HA ARG 106 HA ARG 106 1.511 6.688 -0.515 831 1HB ARG 106 1HB ARG 106 -0.212 4.793 -0.738 832 2HB ARG 106 2HB ARG 106 -0.986 5.445 0.704 833 1HG ARG 106 1HG ARG 106 -1.357 7.571 -0.395 834 2HG ARG 106 2HG ARG 106 -0.421 7.086 -1.806 835 1HD ARG 106 1HD ARG 106 -2.095 5.706 -2.640 836 2HD ARG 106 2HD ARG 106 -2.733 5.329 -1.045 837 HE ARG 106 HE ARG 106 -3.324 7.793 -2.643 838 1HH1 ARG 106 2HH2 ARG 106 -4.389 5.756 0.070 839 2HH1 ARG 106 1HH2 ARG 106 -4.989 7.045 1.017 840 1HH2 ARG 106 2HH1 ARG 106 -4.108 9.545 -1.378 841 2HH2 ARG 106 1HH1 ARG 106 -4.781 9.250 0.209 842 H GLN 107 H GLN 107 0.802 5.816 2.818 843 HA GLN 107 HA GLN 107 0.252 8.637 3.565 844 1HB GLN 107 1HB GLN 107 -0.803 6.604 4.589 845 2HB GLN 107 2HB GLN 107 0.757 6.134 5.261 846 1HG GLN 107 1HG GLN 107 0.741 7.935 6.815 847 2HG GLN 107 2HG GLN 107 -0.520 8.809 5.918 848 1HE2 GLN 107 1HE2 GLN 107 -2.135 8.871 7.583 849 2HE2 GLN 107 2HE2 GLN 107 -2.977 7.421 8.082 850 H ALA 108 H ALA 108 3.114 6.485 3.677 851 HA ALA 108 HA ALA 108 4.681 8.286 5.270 852 1HB ALA 108 1HB ALA 108 5.419 5.974 3.438 853 2HB ALA 108 2HB ALA 108 6.571 6.834 4.456 854 3HB ALA 108 3HB ALA 108 5.235 5.972 5.225 855 H ILE 109 H ILE 109 4.231 7.864 1.739 856 HA ILE 109 HA ILE 109 6.360 9.518 0.850 857 HB ILE 109 HB ILE 109 3.655 8.769 -0.274 858 1HG1 ILE 109 1HG1 ILE 109 5.613 7.081 0.066 859 2HG1 ILE 109 2HG1 ILE 109 4.690 7.091 -1.411 860 1HG2 ILE 109 1HG2 ILE 109 4.368 9.513 -2.475 861 2HG2 ILE 109 2HG2 ILE 109 4.196 10.878 -1.372 862 3HG2 ILE 109 3HG2 ILE 109 5.809 10.304 -1.777 863 1HD1 ILE 109 1HD1 ILE 109 7.109 6.747 -1.759 864 2HD1 ILE 109 2HD1 ILE 109 6.546 8.200 -2.589 865 3HD1 ILE 109 3HD1 ILE 109 7.440 8.347 -1.052 866 H TYR 110 H TYR 110 3.047 10.337 1.954 867 HA TYR 110 HA TYR 110 3.306 13.150 1.351 868 1HB TYR 110 1HB TYR 110 1.146 11.812 2.016 869 2HB TYR 110 2HB TYR 110 1.729 11.828 3.659 870 HD1 TYR 110 HD1 TYR 110 1.622 13.922 5.017 871 HD2 TYR 110 HD2 TYR 110 0.698 13.925 0.802 872 HE1 TYR 110 HE1 TYR 110 0.771 16.247 5.196 873 HE2 TYR 110 HE2 TYR 110 -0.211 16.213 0.982 874 HH TYR 110 HH TYR 110 -0.249 18.082 2.294 875 H GLU 111 H GLU 111 4.112 11.124 4.062 876 HA GLU 111 HA GLU 111 4.964 13.240 5.820 877 1HB GLU 111 1HB GLU 111 4.076 10.729 6.184 878 2HB GLU 111 2HB GLU 111 5.790 10.336 6.075 879 1HG GLU 111 1HG GLU 111 6.282 11.868 7.900 880 2HG GLU 111 2HG GLU 111 4.612 12.418 7.944 881 H GLU 112 H GLU 112 6.635 11.511 3.057 882 HA GLU 112 HA GLU 112 9.242 11.862 3.971 883 1HB GLU 112 1HB GLU 112 7.959 11.844 1.210 884 2HB GLU 112 2HB GLU 112 9.645 11.973 1.487 885 1HG GLU 112 1HG GLU 112 7.988 9.587 2.307 886 2HG GLU 112 2HG GLU 112 8.991 9.700 0.880 887 H LYS 113 H LYS 113 6.861 14.089 2.487 888 HA LYS 113 HA LYS 113 8.769 16.166 1.865 889 1HB LYS 113 1HB LYS 113 6.282 15.728 1.142 890 2HB LYS 113 2HB LYS 113 5.845 16.673 2.556 891 1HG LYS 113 1HG LYS 113 7.724 17.672 0.359 892 2HG LYS 113 2HG LYS 113 5.969 17.791 0.241 893 1HD LYS 113 1HD LYS 113 5.927 19.118 2.357 894 2HD LYS 113 2HD LYS 113 7.695 19.144 2.344 895 1HE LYS 113 1HE LYS 113 5.930 20.182 0.087 896 2HE LYS 113 2HE LYS 113 6.592 21.188 1.382 897 1HZ LYS 113 1HZ LYS 113 8.000 21.375 -0.481 898 2HZ LYS 113 2HZ LYS 113 8.824 20.480 0.617 899 3HZ LYS 113 3HZ LYS 113 8.154 19.767 -0.694 900 H LEU 114 H LEU 114 7.268 15.108 4.767 901 HA LEU 114 HA LEU 114 7.873 17.522 6.392 902 1HB LEU 114 1HB LEU 114 6.513 14.864 7.113 903 2HB LEU 114 2HB LEU 114 6.549 16.280 8.105 904 HG LEU 114 HG LEU 114 5.053 15.951 5.480 905 1HD1 LEU 114 1HD1 LEU 114 3.070 16.186 6.878 906 2HD1 LEU 114 2HD1 LEU 114 4.072 14.852 7.471 907 3HD1 LEU 114 3HD1 LEU 114 4.081 16.416 8.323 908 1HD2 LEU 114 1HD2 LEU 114 4.098 18.209 5.940 909 2HD2 LEU 114 2HD2 LEU 114 5.266 18.419 7.262 910 3HD2 LEU 114 3HD2 LEU 114 5.821 18.281 5.582 911 H ALA 115 H ALA 115 8.751 14.118 6.009 912 HA ALA 115 HA ALA 115 10.426 13.955 8.333 913 1HB ALA 115 1HB ALA 115 10.190 12.145 5.886 914 2HB ALA 115 2HB ALA 115 10.966 11.715 7.406 915 3HB ALA 115 3HB ALA 115 9.223 12.006 7.373 916 H GLN 116 H GLN 116 10.971 14.581 4.856 917 HA GLN 116 HA GLN 116 13.771 14.345 4.884 918 1HB GLN 116 1HB GLN 116 13.831 15.475 2.838 919 2HB GLN 116 2HB GLN 116 12.389 14.494 2.860 920 1HG GLN 116 1HG GLN 116 11.282 16.315 2.168 921 2HG GLN 116 2HG GLN 116 11.425 16.960 3.790 922 1HE2 GLN 116 1HE2 GLN 116 14.169 17.821 3.929 923 2HE2 GLN 116 2HE2 GLN 116 14.437 18.958 2.633 924 H ALA 117 H ALA 117 11.714 16.725 6.336 925 HA ALA 117 HA ALA 117 13.616 18.914 6.410 926 1HB ALA 117 1HB ALA 117 11.870 20.041 7.627 927 2HB ALA 117 2HB ALA 117 11.049 19.080 6.374 928 3HB ALA 117 3HB ALA 117 11.079 18.531 8.060 929 H ARG 118 H ARG 118 13.170 16.059 8.350 930 HA ARG 118 HA ARG 118 14.837 17.250 10.464 931 1HB ARG 118 1HB ARG 118 12.546 16.166 11.026 932 2HB ARG 118 2HB ARG 118 13.356 14.618 10.789 933 1HG ARG 118 1HG ARG 118 14.436 16.802 12.635 934 2HG ARG 118 2HG ARG 118 13.210 15.661 13.175 935 1HD ARG 118 1HD ARG 118 14.641 13.803 13.043 936 2HD ARG 118 2HD ARG 118 15.824 14.637 12.030 937 HE ARG 118 HE ARG 118 15.732 16.122 14.376 938 1HH1 ARG 118 2HH2 ARG 118 16.718 12.823 13.450 939 2HH1 ARG 118 1HH2 ARG 118 17.646 12.591 14.900 940 1HH2 ARG 118 2HH1 ARG 118 17.185 15.935 16.019 941 2HH2 ARG 118 1HH1 ARG 118 18.173 14.476 16.203 942 H GLU 119 H GLU 119 14.434 14.578 8.180 943 HA GLU 119 HA GLU 119 16.743 13.055 8.527 944 1HB GLU 119 1HB GLU 119 14.890 12.607 6.893 945 2HB GLU 119 2HB GLU 119 15.372 14.076 6.048 946 1HG GLU 119 1HG GLU 119 17.683 12.843 5.711 947 2HG GLU 119 2HG GLU 119 16.750 11.398 6.090 948 H SER 120 H SER 120 16.277 16.250 6.881 949 HA SER 120 HA SER 120 18.665 16.487 5.587 950 1HB SER 120 1HB SER 120 18.353 19.004 6.040 951 2HB SER 120 2HB SER 120 17.086 18.134 5.175 952 HG SER 120 HG SER 120 17.026 18.638 7.972 953 H ILE 121 H ILE 121 18.276 16.646 9.094 954 HA ILE 121 HA ILE 121 20.781 18.021 9.634 955 HB ILE 121 HB ILE 121 19.049 16.187 11.361 956 1HG1 ILE 121 1HG1 ILE 121 19.138 19.245 11.371 957 2HG1 ILE 121 2HG1 ILE 121 17.916 18.325 10.501 958 1HG2 ILE 121 1HG2 ILE 121 21.376 16.386 12.218 959 2HG2 ILE 121 2HG2 ILE 121 21.238 18.153 12.189 960 3HG2 ILE 121 3HG2 ILE 121 20.235 17.184 13.292 961 1HD1 ILE 121 1HD1 ILE 121 16.959 19.001 12.563 962 2HD1 ILE 121 2HD1 ILE 121 17.191 17.245 12.614 963 3HD1 ILE 121 3HD1 ILE 121 18.294 18.323 13.507 964 H ILE 122 H ILE 122 19.675 14.598 9.553 965 HA ILE 122 HA ILE 122 22.302 13.515 10.081 966 HB ILE 122 HB ILE 122 19.900 12.130 8.825 967 1HG1 ILE 122 1HG1 ILE 122 19.046 13.063 10.868 968 2HG1 ILE 122 2HG1 ILE 122 19.294 11.349 11.093 969 1HG2 ILE 122 1HG2 ILE 122 21.950 10.837 8.632 970 2HG2 ILE 122 2HG2 ILE 122 22.312 11.050 10.350 971 3HG2 ILE 122 3HG2 ILE 122 20.910 10.085 9.835 972 1HD1 ILE 122 1HD1 ILE 122 21.106 13.555 12.166 973 2HD1 ILE 122 2HD1 ILE 122 19.969 12.562 13.090 974 3HD1 ILE 122 3HD1 ILE 122 21.398 11.811 12.360 975 H ALA 123 H ALA 123 20.401 14.307 7.150 976 HA ALA 123 HA ALA 123 22.063 13.083 5.258 977 1HB ALA 123 1HB ALA 123 20.993 14.515 3.629 978 2HB ALA 123 2HB ALA 123 19.778 14.035 4.829 979 3HB ALA 123 3HB ALA 123 20.512 15.664 4.876 980 H ASP 124 H ASP 124 22.840 15.835 7.227 981 HA ASP 124 HA ASP 124 25.015 16.647 5.356 982 1HB ASP 124 1HB ASP 124 23.328 18.061 7.354 983 2HB ASP 124 2HB ASP 124 25.032 18.500 7.366 984 H ASN 125 H ASN 125 24.471 14.811 8.098 985 HA ASN 125 HA ASN 125 27.393 14.574 8.619 986 1HB ASN 125 1HB ASN 125 26.105 16.082 10.338 987 2HB ASN 125 2HB ASN 125 25.467 14.563 10.965 988 1HD2 ASN 125 1HD2 ASN 125 27.572 12.821 10.911 989 2HD2 ASN 125 2HD2 ASN 125 29.108 13.527 11.373 990 H ASN 126 H ASN 126 26.075 13.050 6.941 991 HA ASN 126 HA ASN 126 24.464 10.995 7.489 992 1HB ASN 126 1HB ASN 126 26.829 10.771 5.581 993 2HB ASN 126 2HB ASN 126 25.394 9.762 5.605 994 1HD2 ASN 126 1HD2 ASN 126 26.616 13.076 4.815 995 2HD2 ASN 126 2HD2 ASN 126 25.092 13.590 4.152 996 H ILE 127 H ILE 127 27.949 10.372 7.427 997 HA ILE 127 HA ILE 127 27.676 8.257 9.518 998 HB ILE 127 HB ILE 127 28.844 8.004 6.718 999 1HG1 ILE 127 1HG1 ILE 127 26.420 7.636 6.773 1000 2HG1 ILE 127 2HG1 ILE 127 27.287 6.187 6.367 1001 1HG2 ILE 127 1HG2 ILE 127 29.163 6.036 9.002 1002 2HG2 ILE 127 2HG2 ILE 127 29.389 5.615 7.289 1003 3HG2 ILE 127 3HG2 ILE 127 30.424 6.825 8.032 1004 1HD1 ILE 127 1HD1 ILE 127 26.085 6.776 9.111 1005 2HD1 ILE 127 2HD1 ILE 127 25.423 5.696 7.879 1006 3HD1 ILE 127 3HD1 ILE 127 26.960 5.301 8.666 1007 H GLN 128 H GLN 128 29.352 10.969 8.247 1008 HA GLN 128 HA GLN 128 31.466 10.784 10.256 1009 1HB GLN 128 1HB GLN 128 31.904 11.442 7.312 1010 2HB GLN 128 2HB GLN 128 33.119 11.581 8.578 1011 1HG GLN 128 1HG GLN 128 33.162 9.148 8.856 1012 2HG GLN 128 2HG GLN 128 31.845 8.948 7.692 1013 1HE2 GLN 128 1HE2 GLN 128 32.505 10.616 5.610 1014 2HE2 GLN 128 2HE2 GLN 128 34.034 10.210 4.897 Start of MODEL 13 1 1H MET 1 H MET 1 -14.843 2.954 -4.040 2 HA MET 1 HA MET 1 -16.702 1.660 -5.878 3 1HB MET 1 1HB MET 1 -14.274 0.947 -5.929 4 2HB MET 1 2HB MET 1 -14.462 0.380 -4.274 5 1HG MET 1 1HG MET 1 -16.012 -0.556 -6.725 6 2HG MET 1 2HG MET 1 -14.683 -1.410 -5.963 7 1HE MET 1 1HE MET 1 -17.453 -2.711 -6.765 8 2HE MET 1 2HE MET 1 -16.121 -3.617 -6.032 9 3HE MET 1 3HE MET 1 -17.758 -3.747 -5.352 10 H LYS 2 H LYS 2 -18.610 1.543 -4.946 11 HA LYS 2 HA LYS 2 -20.271 1.807 -3.577 12 1HB LYS 2 1HB LYS 2 -19.683 -0.347 -2.570 13 2HB LYS 2 2HB LYS 2 -18.709 0.462 -1.349 14 1HG LYS 2 1HG LYS 2 -20.547 1.356 -0.250 15 2HG LYS 2 2HG LYS 2 -21.511 1.481 -1.718 16 1HD LYS 2 1HD LYS 2 -22.515 -0.161 -0.311 17 2HD LYS 2 2HD LYS 2 -21.885 -0.931 -1.755 18 1HE LYS 2 1HE LYS 2 -21.392 -2.369 0.080 19 2HE LYS 2 2HE LYS 2 -19.856 -1.649 -0.422 20 1HZ LYS 2 1HZ LYS 2 -21.515 -0.750 1.866 21 2HZ LYS 2 2HZ LYS 2 -20.150 -1.648 1.983 22 3HZ LYS 2 3HZ LYS 2 -20.064 -0.102 1.450 23 H ALA 3 H ALA 3 -17.384 2.532 -1.577 24 HA ALA 3 HA ALA 3 -18.432 5.280 -1.116 25 1HB ALA 3 1HB ALA 3 -17.101 5.311 0.927 26 2HB ALA 3 2HB ALA 3 -18.251 3.965 1.012 27 3HB ALA 3 3HB ALA 3 -16.533 3.657 0.646 28 H LEU 4 H LEU 4 -16.941 6.891 -1.585 29 HA LEU 4 HA LEU 4 -14.249 6.842 -2.234 30 1HB LEU 4 1HB LEU 4 -14.945 5.366 -4.141 31 2HB LEU 4 2HB LEU 4 -16.117 6.565 -4.654 32 HG LEU 4 HG LEU 4 -14.163 6.459 -6.048 33 1HD1 LEU 4 1HD1 LEU 4 -13.671 8.704 -6.354 34 2HD1 LEU 4 2HD1 LEU 4 -15.324 8.656 -5.711 35 3HD1 LEU 4 3HD1 LEU 4 -13.961 9.120 -4.665 36 1HD2 LEU 4 1HD2 LEU 4 -12.496 5.716 -4.427 37 2HD2 LEU 4 2HD2 LEU 4 -11.927 7.133 -5.319 38 3HD2 LEU 4 3HD2 LEU 4 -12.499 7.310 -3.647 39 H GLU 5 H GLU 5 -14.054 8.944 -1.694 40 HA GLU 5 HA GLU 5 -14.269 11.171 -1.598 41 1HB GLU 5 1HB GLU 5 -15.601 10.764 -4.025 42 2HB GLU 5 2HB GLU 5 -16.813 11.574 -3.057 43 1HG GLU 5 1HG GLU 5 -14.070 12.581 -3.900 44 2HG GLU 5 2HG GLU 5 -15.640 13.158 -4.416 45 H HIS 6 H HIS 6 -15.425 12.611 -0.375 46 HA HIS 6 HA HIS 6 -16.871 13.617 0.959 47 1HB HIS 6 1HB HIS 6 -18.775 12.578 -0.310 48 2HB HIS 6 2HB HIS 6 -18.732 11.220 0.820 49 HD1 HIS 6 HD1 HIS 6 -20.598 11.541 2.574 50 HD2 HIS 6 HD2 HIS 6 -18.756 15.132 1.305 51 HE1 HIS 6 HE1 HIS 6 -21.695 13.465 3.912 52 HE2 HIS 6 HE2 HIS 6 -20.552 15.658 3.094 53 H GLU 7 H GLU 7 -15.505 10.642 1.384 54 HA GLU 7 HA GLU 7 -15.798 10.631 4.358 55 1HB GLU 7 1HB GLU 7 -14.373 8.608 4.347 56 2HB GLU 7 2HB GLU 7 -15.968 8.483 3.633 57 1HG GLU 7 1HG GLU 7 -15.048 8.423 1.372 58 2HG GLU 7 2HG GLU 7 -13.408 8.661 1.994 59 H LYS 8 H LYS 8 -12.854 10.282 2.278 60 HA LYS 8 HA LYS 8 -11.690 12.627 3.537 61 1HB LYS 8 1HB LYS 8 -10.172 9.984 3.360 62 2HB LYS 8 2HB LYS 8 -9.542 11.547 3.867 63 1HG LYS 8 1HG LYS 8 -9.937 10.807 5.945 64 2HG LYS 8 2HG LYS 8 -11.588 11.322 5.654 65 1HD LYS 8 1HD LYS 8 -11.997 8.902 4.782 66 2HD LYS 8 2HD LYS 8 -10.388 8.537 5.432 67 1HE LYS 8 1HE LYS 8 -11.211 9.493 7.662 68 2HE LYS 8 2HE LYS 8 -12.825 9.558 6.953 69 1HZ LYS 8 1HZ LYS 8 -11.198 7.179 7.568 70 2HZ LYS 8 2HZ LYS 8 -12.682 7.564 8.111 71 3HZ LYS 8 3HZ LYS 8 -12.497 7.071 6.551 72 H THR 9 H THR 9 -10.176 13.564 2.077 73 HA THR 9 HA THR 9 -10.918 13.699 -0.501 74 HB THR 9 HB THR 9 -8.677 14.705 -0.956 75 HG1 THR 9 1HG THR 9 -7.645 13.247 0.648 76 1HG2 THR 9 1HG2 THR 9 -10.503 16.053 0.066 77 2HG2 THR 9 2HG2 THR 9 -9.962 15.573 1.689 78 3HG2 THR 9 3HG2 THR 9 -8.914 16.555 0.660 79 HA PRO 10 HA PRO 10 -9.187 9.746 -1.990 80 1HB PRO 10 1HB PRO 10 -10.677 9.413 -4.243 81 2HB PRO 10 2HB PRO 10 -11.380 9.148 -2.616 82 1HG PRO 10 1HG PRO 10 -11.581 11.625 -4.347 83 2HG PRO 10 2HG PRO 10 -12.877 10.754 -3.480 84 1HD PRO 10 1HD PRO 10 -11.625 12.990 -2.468 85 2HD PRO 10 2HD PRO 10 -12.246 11.692 -1.412 86 H GLU 11 H GLU 11 -9.629 12.808 -3.642 87 HA GLU 11 HA GLU 11 -8.172 12.434 -6.022 88 1HB GLU 11 1HB GLU 11 -8.717 14.821 -4.183 89 2HB GLU 11 2HB GLU 11 -7.862 15.010 -5.700 90 1HG GLU 11 1HG GLU 11 -10.692 13.957 -5.344 91 2HG GLU 11 2HG GLU 11 -10.251 15.558 -5.938 92 H LEU 12 H LEU 12 -7.162 13.730 -2.890 93 HA LEU 12 HA LEU 12 -4.425 14.069 -3.690 94 1HB LEU 12 1HB LEU 12 -5.702 15.286 -1.798 95 2HB LEU 12 2HB LEU 12 -5.400 13.863 -0.813 96 HG LEU 12 HG LEU 12 -3.817 15.658 -0.383 97 1HD1 LEU 12 1HD1 LEU 12 -2.111 13.618 -1.810 98 2HD1 LEU 12 2HD1 LEU 12 -1.820 14.473 -0.303 99 3HD1 LEU 12 3HD1 LEU 12 -3.027 13.180 -0.340 100 1HD2 LEU 12 1HD2 LEU 12 -2.725 15.373 -3.212 101 2HD2 LEU 12 2HD2 LEU 12 -3.826 16.661 -2.690 102 3HD2 LEU 12 3HD2 LEU 12 -2.227 16.513 -1.954 103 H ALA 13 H ALA 13 -6.240 11.468 -2.038 104 HA ALA 13 HA ALA 13 -3.872 9.983 -1.294 105 1HB ALA 13 1HB ALA 13 -6.031 9.651 -0.137 106 2HB ALA 13 2HB ALA 13 -6.767 9.061 -1.647 107 3HB ALA 13 3HB ALA 13 -5.473 8.131 -0.862 108 H ALA 14 H ALA 14 -5.913 10.115 -4.194 109 HA ALA 14 HA ALA 14 -4.662 7.766 -5.413 110 1HB ALA 14 1HB ALA 14 -6.942 8.432 -6.028 111 2HB ALA 14 2HB ALA 14 -6.342 9.997 -6.630 112 3HB ALA 14 3HB ALA 14 -5.858 8.486 -7.432 113 H LYS 15 H LYS 15 -4.236 11.311 -5.530 114 HA LYS 15 HA LYS 15 -2.191 11.333 -7.590 115 1HB LYS 15 1HB LYS 15 -3.105 13.191 -5.364 116 2HB LYS 15 2HB LYS 15 -1.659 13.581 -6.232 117 1HG LYS 15 1HG LYS 15 -4.420 13.176 -7.493 118 2HG LYS 15 2HG LYS 15 -3.660 14.719 -7.131 119 1HD LYS 15 1HD LYS 15 -1.702 13.751 -8.674 120 2HD LYS 15 2HD LYS 15 -3.006 12.740 -9.307 121 1HE LYS 15 1HE LYS 15 -2.845 15.784 -9.224 122 2HE LYS 15 2HE LYS 15 -2.746 14.763 -10.655 123 1HZ LYS 15 1HZ LYS 15 -5.173 15.049 -8.974 124 2HZ LYS 15 2HZ LYS 15 -4.899 15.834 -10.366 125 3HZ LYS 15 3HZ LYS 15 -5.073 14.193 -10.369 126 H LEU 16 H LEU 16 -2.111 11.153 -4.067 127 HA LEU 16 HA LEU 16 0.698 11.159 -3.736 128 1HB LEU 16 1HB LEU 16 -1.003 11.675 -2.029 129 2HB LEU 16 2HB LEU 16 -1.582 10.006 -2.066 130 HG LEU 16 HG LEU 16 0.552 9.234 -1.102 131 1HD1 LEU 16 1HD1 LEU 16 2.097 10.857 -2.018 132 2HD1 LEU 16 2HD1 LEU 16 1.264 12.203 -1.251 133 3HD1 LEU 16 3HD1 LEU 16 2.141 11.007 -0.256 134 1HD2 LEU 16 1HD2 LEU 16 -1.365 9.908 0.337 135 2HD2 LEU 16 2HD2 LEU 16 0.167 10.268 1.123 136 3HD2 LEU 16 3HD2 LEU 16 -0.775 11.573 0.370 137 H ALA 17 H ALA 17 -1.633 8.540 -4.361 138 HA ALA 17 HA ALA 17 0.025 6.328 -3.886 139 1HB ALA 17 1HB ALA 17 -1.486 5.074 -5.202 140 2HB ALA 17 2HB ALA 17 -2.489 6.398 -4.545 141 3HB ALA 17 3HB ALA 17 -1.906 6.456 -6.212 142 H ALA 18 H ALA 18 -0.170 8.513 -6.735 143 HA ALA 18 HA ALA 18 1.224 6.901 -8.569 144 1HB ALA 18 1HB ALA 18 -0.065 9.024 -9.041 145 2HB ALA 18 2HB ALA 18 1.310 9.942 -8.397 146 3HB ALA 18 3HB ALA 18 1.525 8.922 -9.831 147 H GLU 19 H GLU 19 2.431 9.274 -6.203 148 HA GLU 19 HA GLU 19 5.218 8.997 -6.854 149 1HB GLU 19 1HB GLU 19 3.842 9.875 -4.278 150 2HB GLU 19 2HB GLU 19 5.536 10.144 -4.678 151 1HG GLU 19 1HG GLU 19 3.069 11.346 -6.018 152 2HG GLU 19 2HG GLU 19 4.236 12.184 -5.004 153 H ALA 20 H ALA 20 3.098 7.452 -4.407 154 HA ALA 20 HA ALA 20 5.165 5.917 -3.194 155 1HB ALA 20 1HB ALA 20 2.164 5.366 -3.294 156 2HB ALA 20 2HB ALA 20 3.317 4.713 -2.114 157 3HB ALA 20 3HB ALA 20 2.971 6.459 -2.144 158 H ILE 21 H ILE 21 3.217 5.303 -6.022 159 HA ILE 21 HA ILE 21 3.824 2.502 -6.300 160 HB ILE 21 HB ILE 21 2.785 4.791 -8.012 161 1HG1 ILE 21 1HG1 ILE 21 1.512 2.105 -7.431 162 2HG1 ILE 21 2HG1 ILE 21 1.406 3.447 -6.315 163 1HG2 ILE 21 1HG2 ILE 21 4.087 3.663 -9.678 164 2HG2 ILE 21 2HG2 ILE 21 3.412 2.099 -9.207 165 3HG2 ILE 21 3HG2 ILE 21 2.383 3.336 -9.955 166 1HD1 ILE 21 1HD1 ILE 21 -0.591 3.537 -7.566 167 2HD1 ILE 21 2HD1 ILE 21 0.404 4.834 -8.220 168 3HD1 ILE 21 3HD1 ILE 21 0.245 3.306 -9.115 169 H GLU 22 H GLU 22 5.559 5.495 -7.262 170 HA GLU 22 HA GLU 22 7.545 4.060 -8.822 171 1HB GLU 22 1HB GLU 22 6.985 6.420 -9.173 172 2HB GLU 22 2HB GLU 22 7.514 6.823 -7.548 173 1HG GLU 22 1HG GLU 22 9.654 5.475 -9.058 174 2HG GLU 22 2HG GLU 22 9.013 6.856 -9.919 175 H ARG 23 H ARG 23 6.966 4.576 -5.424 176 HA ARG 23 HA ARG 23 9.677 3.695 -4.609 177 1HB ARG 23 1HB ARG 23 8.445 5.588 -3.505 178 2HB ARG 23 2HB ARG 23 7.220 4.442 -2.975 179 1HG ARG 23 1HG ARG 23 8.664 4.933 -1.152 180 2HG ARG 23 2HG ARG 23 8.932 3.260 -1.603 181 1HD ARG 23 1HD ARG 23 11.039 3.688 -2.465 182 2HD ARG 23 2HD ARG 23 10.716 5.396 -2.785 183 HE ARG 23 HE ARG 23 11.602 4.138 -0.292 184 1HH1 ARG 23 2HH2 ARG 23 10.683 7.227 -1.914 185 2HH1 ARG 23 1HH2 ARG 23 11.100 8.150 -0.481 186 1HH2 ARG 23 2HH1 ARG 23 12.113 5.596 1.584 187 2HH2 ARG 23 1HH1 ARG 23 11.992 7.303 1.264 188 H ASP 24 H ASP 24 6.477 2.309 -5.156 189 HA ASP 24 HA ASP 24 7.435 -0.223 -3.960 190 1HB ASP 24 1HB ASP 24 5.845 1.118 -2.507 191 2HB ASP 24 2HB ASP 24 4.610 0.795 -3.661 192 HA PRO 25 HA PRO 25 5.884 -1.379 -8.061 193 1HB PRO 25 1HB PRO 25 7.012 -3.854 -8.226 194 2HB PRO 25 2HB PRO 25 7.874 -2.340 -8.603 195 1HG PRO 25 1HG PRO 25 7.913 -3.922 -6.024 196 2HG PRO 25 2HG PRO 25 9.297 -3.214 -6.907 197 1HD PRO 25 1HD PRO 25 8.170 -1.960 -4.776 198 2HD PRO 25 2HD PRO 25 8.804 -1.033 -6.163 199 H TRP 26 H TRP 26 5.489 -3.011 -4.865 200 HA TRP 26 HA TRP 26 3.359 -4.711 -5.875 201 1HB TRP 26 1HB TRP 26 4.390 -5.284 -3.757 202 2HB TRP 26 2HB TRP 26 3.941 -3.734 -3.058 203 HD1 TRP 26 HD TRP 26 2.065 -4.060 -1.441 204 HE1 TRP 26 1HE TRP 26 -0.221 -5.182 -1.372 205 HE3 TRP 26 3HE TRP 26 2.467 -6.771 -5.741 206 HZ2 TRP 26 2HZ TRP 26 -1.664 -7.212 -3.038 207 HZ3 TRP 26 3HZ TRP 26 0.771 -8.441 -6.337 208 HH2 TRP 26 HH TRP 26 -1.313 -8.643 -4.993 209 H ALA 27 H ALA 27 3.371 -1.408 -4.296 210 HA ALA 27 HA ALA 27 0.585 -1.016 -4.587 211 1HB ALA 27 1HB ALA 27 1.048 1.370 -4.472 212 2HB ALA 27 2HB ALA 27 2.131 0.522 -3.345 213 3HB ALA 27 3HB ALA 27 2.742 1.111 -4.906 214 H ALA 28 H ALA 28 3.231 -0.684 -6.966 215 HA ALA 28 HA ALA 28 1.710 0.434 -9.100 216 1HB ALA 28 1HB ALA 28 3.995 -1.533 -9.537 217 2HB ALA 28 2HB ALA 28 3.511 -0.157 -10.522 218 3HB ALA 28 3HB ALA 28 4.296 0.112 -8.950 219 H GLN 29 H GLN 29 2.392 -2.936 -8.156 220 HA GLN 29 HA GLN 29 0.978 -4.246 -10.250 221 1HB GLN 29 1HB GLN 29 1.839 -5.079 -7.459 222 2HB GLN 29 2HB GLN 29 0.807 -6.113 -8.417 223 1HG GLN 29 1HG GLN 29 2.501 -6.015 -10.278 224 2HG GLN 29 2HG GLN 29 3.547 -5.093 -9.217 225 1HE2 GLN 29 1HE2 GLN 29 5.157 -6.762 -9.353 226 2HE2 GLN 29 2HE2 GLN 29 4.967 -8.315 -8.546 227 H VAL 30 H VAL 30 -0.121 -3.320 -6.914 228 HA VAL 30 HA VAL 30 -2.730 -4.376 -7.217 229 HB VAL 30 HB VAL 30 -1.766 -1.936 -5.629 230 1HG1 VAL 30 1HG1 VAL 30 -3.787 -2.272 -4.187 231 2HG1 VAL 30 2HG1 VAL 30 -4.195 -1.720 -5.811 232 3HG1 VAL 30 3HG1 VAL 30 -4.413 -3.427 -5.386 233 1HG2 VAL 30 1HG2 VAL 30 -0.714 -4.075 -4.984 234 2HG2 VAL 30 2HG2 VAL 30 -1.792 -3.498 -3.719 235 3HG2 VAL 30 3HG2 VAL 30 -2.302 -4.816 -4.820 236 H SER 31 H SER 31 -1.459 -1.226 -8.135 237 HA SER 31 HA SER 31 -3.895 -0.078 -9.057 238 1HB SER 31 1HB SER 31 -0.999 0.455 -9.872 239 2HB SER 31 2HB SER 31 -2.354 1.582 -10.021 240 HG SER 31 HG SER 31 -0.978 0.670 -7.722 241 H GLN 32 H GLN 32 -1.610 -2.297 -10.510 242 HA GLN 32 HA GLN 32 -2.541 -1.966 -13.276 243 1HB GLN 32 1HB GLN 32 -0.199 -2.245 -12.663 244 2HB GLN 32 2HB GLN 32 -0.539 -3.776 -11.867 245 1HG GLN 32 1HG GLN 32 -1.060 -4.819 -14.005 246 2HG GLN 32 2HG GLN 32 -0.765 -3.275 -14.834 247 1HE2 GLN 32 1HE2 GLN 32 0.777 -5.334 -15.703 248 2HE2 GLN 32 2HE2 GLN 32 2.430 -5.129 -15.150 249 H LEU 33 H LEU 33 -3.043 -4.083 -10.499 250 HA LEU 33 HA LEU 33 -4.461 -6.190 -11.933 251 1HB LEU 33 1HB LEU 33 -4.378 -5.431 -8.977 252 2HB LEU 33 2HB LEU 33 -5.210 -6.841 -9.629 253 HG LEU 33 HG LEU 33 -2.223 -6.364 -9.476 254 1HD1 LEU 33 1HD1 LEU 33 -2.213 -8.365 -8.133 255 2HD1 LEU 33 2HD1 LEU 33 -3.294 -7.158 -7.436 256 3HD1 LEU 33 3HD1 LEU 33 -3.970 -8.544 -8.320 257 1HD2 LEU 33 1HD2 LEU 33 -3.732 -8.448 -11.063 258 2HD2 LEU 33 2HD2 LEU 33 -2.494 -7.305 -11.618 259 3HD2 LEU 33 3HD2 LEU 33 -2.041 -8.634 -10.537 260 H SER 34 H SER 34 -5.364 -3.470 -9.926 261 HA SER 34 HA SER 34 -7.231 -2.156 -9.733 262 1HB SER 34 1HB SER 34 -7.367 -2.238 -12.244 263 2HB SER 34 2HB SER 34 -8.461 -3.620 -12.095 264 HG SER 34 HG SER 34 -9.659 -1.845 -12.305 265 H LEU 35 H LEU 35 -7.934 -2.812 -7.751 266 HA LEU 35 HA LEU 35 -9.390 -5.416 -7.521 267 1HB LEU 35 1HB LEU 35 -7.626 -3.821 -5.657 268 2HB LEU 35 2HB LEU 35 -8.880 -4.857 -4.990 269 HG LEU 35 HG LEU 35 -7.958 -6.846 -5.967 270 1HD1 LEU 35 1HD1 LEU 35 -7.066 -6.110 -8.103 271 2HD1 LEU 35 2HD1 LEU 35 -5.884 -5.052 -7.289 272 3HD1 LEU 35 3HD1 LEU 35 -5.766 -6.828 -7.168 273 1HD2 LEU 35 1HD2 LEU 35 -5.769 -5.126 -4.719 274 2HD2 LEU 35 2HD2 LEU 35 -6.963 -6.099 -3.854 275 3HD2 LEU 35 3HD2 LEU 35 -5.741 -6.893 -4.840 276 HA PRO 36 HA PRO 36 -13.099 -3.194 -6.659 277 1HB PRO 36 1HB PRO 36 -14.490 -4.815 -4.987 278 2HB PRO 36 2HB PRO 36 -14.142 -5.213 -6.685 279 1HG PRO 36 1HG PRO 36 -12.553 -6.086 -4.251 280 2HG PRO 36 2HG PRO 36 -13.212 -7.120 -5.564 281 1HD PRO 36 1HD PRO 36 -10.651 -6.285 -5.674 282 2HD PRO 36 2HD PRO 36 -11.655 -6.266 -7.139 283 H LYS 37 H LYS 37 -13.349 -4.246 -3.264 284 HA LYS 37 HA LYS 37 -11.778 -1.896 -2.468 285 1HB LYS 37 1HB LYS 37 -14.225 -1.234 -2.761 286 2HB LYS 37 2HB LYS 37 -14.593 -2.228 -1.380 287 1HG LYS 37 1HG LYS 37 -14.264 0.193 -0.827 288 2HG LYS 37 2HG LYS 37 -13.206 -0.886 0.086 289 1HD LYS 37 1HD LYS 37 -11.295 -0.267 -1.257 290 2HD LYS 37 2HD LYS 37 -12.325 0.619 -2.395 291 1HE LYS 37 1HE LYS 37 -12.879 2.233 -0.559 292 2HE LYS 37 2HE LYS 37 -11.855 1.293 0.540 293 1HZ LYS 37 1HZ LYS 37 -10.488 3.023 -0.257 294 2HZ LYS 37 2HZ LYS 37 -10.044 1.727 -1.200 295 3HZ LYS 37 3HZ LYS 37 -11.019 2.886 -1.789 296 H LEU 38 H LEU 38 -13.780 -4.543 -1.186 297 HA LEU 38 HA LEU 38 -12.408 -4.755 1.310 298 1HB LEU 38 1HB LEU 38 -14.475 -5.958 0.964 299 2HB LEU 38 2HB LEU 38 -13.821 -6.824 -0.428 300 HG LEU 38 HG LEU 38 -12.300 -8.111 0.996 301 1HD1 LEU 38 1HD1 LEU 38 -11.863 -6.446 2.787 302 2HD1 LEU 38 2HD1 LEU 38 -13.547 -6.607 3.333 303 3HD1 LEU 38 3HD1 LEU 38 -12.412 -7.973 3.443 304 1HD2 LEU 38 1HD2 LEU 38 -14.047 -9.385 2.253 305 2HD2 LEU 38 2HD2 LEU 38 -15.198 -8.078 1.933 306 3HD2 LEU 38 3HD2 LEU 38 -14.509 -9.022 0.593 307 H VAL 39 H VAL 39 -11.867 -6.483 -1.784 308 HA VAL 39 HA VAL 39 -9.506 -7.823 -0.931 309 HB VAL 39 HB VAL 39 -10.188 -7.076 -3.791 310 1HG1 VAL 39 1HG1 VAL 39 -8.799 -9.517 -2.615 311 2HG1 VAL 39 2HG1 VAL 39 -9.123 -9.237 -4.338 312 3HG1 VAL 39 3HG1 VAL 39 -8.011 -8.182 -3.461 313 1HG2 VAL 39 1HG2 VAL 39 -11.429 -9.271 -2.099 314 2HG2 VAL 39 2HG2 VAL 39 -12.273 -7.992 -2.968 315 3HG2 VAL 39 3HG2 VAL 39 -11.474 -9.269 -3.874 316 H GLU 40 H GLU 40 -10.072 -4.617 -2.364 317 HA GLU 40 HA GLU 40 -7.316 -3.952 -2.901 318 1HB GLU 40 1HB GLU 40 -9.237 -2.646 -3.829 319 2HB GLU 40 2HB GLU 40 -9.650 -2.137 -2.192 320 1HG GLU 40 1HG GLU 40 -7.330 -1.114 -2.015 321 2HG GLU 40 2HG GLU 40 -7.152 -1.414 -3.743 322 H GLN 41 H GLN 41 -9.476 -3.478 -0.042 323 HA GLN 41 HA GLN 41 -7.586 -2.209 1.579 324 1HB GLN 41 1HB GLN 41 -10.106 -2.394 1.870 325 2HB GLN 41 2HB GLN 41 -9.849 -3.993 2.567 326 1HG GLN 41 1HG GLN 41 -8.686 -3.097 4.428 327 2HG GLN 41 2HG GLN 41 -8.372 -1.555 3.622 328 1HE2 GLN 41 1HE2 GLN 41 -10.238 -0.092 3.242 329 2HE2 GLN 41 2HE2 GLN 41 -11.566 -0.197 4.398 330 H VAL 42 H VAL 42 -8.043 -5.682 0.932 331 HA VAL 42 HA VAL 42 -6.212 -6.566 3.002 332 HB VAL 42 HB VAL 42 -7.399 -7.812 0.502 333 1HG1 VAL 42 1HG1 VAL 42 -6.413 -9.951 1.038 334 2HG1 VAL 42 2HG1 VAL 42 -5.128 -8.803 0.704 335 3HG1 VAL 42 3HG1 VAL 42 -5.495 -9.251 2.384 336 1HG2 VAL 42 1HG2 VAL 42 -7.639 -8.383 3.483 337 2HG2 VAL 42 2HG2 VAL 42 -8.831 -7.521 2.489 338 3HG2 VAL 42 3HG2 VAL 42 -8.509 -9.235 2.184 339 H ALA 43 H ALA 43 -5.839 -5.990 -0.556 340 HA ALA 43 HA ALA 43 -3.056 -6.498 -0.599 341 1HB ALA 43 1HB ALA 43 -3.113 -5.352 -2.763 342 2HB ALA 43 2HB ALA 43 -4.498 -6.448 -2.603 343 3HB ALA 43 3HB ALA 43 -4.717 -4.689 -2.403 344 H LEU 44 H LEU 44 -4.828 -3.585 0.235 345 HA LEU 44 HA LEU 44 -2.574 -1.772 0.347 346 1HB LEU 44 1HB LEU 44 -5.383 -1.748 1.517 347 2HB LEU 44 2HB LEU 44 -4.253 -0.459 1.826 348 HG LEU 44 HG LEU 44 -5.228 -1.209 -0.956 349 1HD1 LEU 44 1HD1 LEU 44 -7.036 -0.289 0.446 350 2HD1 LEU 44 2HD1 LEU 44 -6.005 1.091 0.888 351 3HD1 LEU 44 3HD1 LEU 44 -6.548 0.875 -0.786 352 1HD2 LEU 44 1HD2 LEU 44 -3.137 -0.187 -1.237 353 2HD2 LEU 44 2HD2 LEU 44 -4.313 1.082 -1.517 354 3HD2 LEU 44 3HD2 LEU 44 -3.439 1.034 0.034 355 H ASN 45 H ASN 45 -4.190 -3.954 2.735 356 HA ASN 45 HA ASN 45 -2.607 -2.824 4.946 357 1HB ASN 45 1HB ASN 45 -4.820 -4.880 4.735 358 2HB ASN 45 2HB ASN 45 -3.826 -4.796 6.173 359 1HD2 ASN 45 1HD2 ASN 45 -6.528 -3.401 4.719 360 2HD2 ASN 45 2HD2 ASN 45 -6.784 -2.184 5.990 361 H ALA 46 H ALA 46 -1.523 -4.699 2.502 362 HA ALA 46 HA ALA 46 0.257 -6.191 4.287 363 1HB ALA 46 1HB ALA 46 -1.271 -7.287 1.871 364 2HB ALA 46 2HB ALA 46 0.077 -8.128 2.676 365 3HB ALA 46 3HB ALA 46 -1.440 -7.843 3.535 366 H TRP 47 H TRP 47 2.244 -6.716 3.349 367 HA TRP 47 HA TRP 47 2.950 -5.172 0.887 368 1HB TRP 47 1HB TRP 47 5.262 -5.231 1.662 369 2HB TRP 47 2HB TRP 47 4.234 -4.328 2.750 370 HD1 TRP 47 HD TRP 47 3.789 -5.309 5.192 371 HE1 TRP 47 1HE TRP 47 5.200 -6.751 6.653 372 HE3 TRP 47 3HE TRP 47 6.570 -7.628 1.535 373 HZ2 TRP 47 2HZ TRP 47 7.351 -8.685 6.321 374 HZ3 TRP 47 3HZ TRP 47 8.222 -9.392 2.187 375 HH2 TRP 47 HH TRP 47 8.636 -9.897 4.559 376 H LYS 48 H LYS 48 4.058 -6.360 -0.689 377 HA LYS 48 HA LYS 48 3.335 -9.214 -0.586 378 1HB LYS 48 1HB LYS 48 2.465 -7.876 -2.350 379 2HB LYS 48 2HB LYS 48 4.013 -7.276 -2.822 380 1HG LYS 48 1HG LYS 48 3.556 -10.209 -2.843 381 2HG LYS 48 2HG LYS 48 2.715 -9.277 -4.078 382 1HD LYS 48 1HD LYS 48 5.743 -9.240 -3.703 383 2HD LYS 48 2HD LYS 48 4.894 -10.237 -4.874 384 1HE LYS 48 1HE LYS 48 4.209 -8.445 -6.196 385 2HE LYS 48 2HE LYS 48 4.498 -7.256 -4.913 386 1HZ LYS 48 1HZ LYS 48 6.828 -7.550 -5.154 387 2HZ LYS 48 2HZ LYS 48 6.676 -8.771 -6.243 388 3HZ LYS 48 3HZ LYS 48 6.251 -7.269 -6.659 389 H GLU 49 H GLU 49 4.742 -10.725 -0.025 390 HA GLU 49 HA GLU 49 7.652 -10.289 -0.423 391 1HB GLU 49 1HB GLU 49 6.958 -11.335 1.714 392 2HB GLU 49 2HB GLU 49 6.011 -12.539 0.828 393 1HG GLU 49 1HG GLU 49 8.075 -13.443 -0.204 394 2HG GLU 49 2HG GLU 49 9.029 -12.231 0.663 395 H GLU 50 H GLU 50 8.663 -11.671 -2.035 396 HA GLU 50 HA GLU 50 6.894 -13.190 -3.858 397 1HB GLU 50 1HB GLU 50 6.926 -11.210 -5.028 398 2HB GLU 50 2HB GLU 50 8.430 -10.682 -4.306 399 1HG GLU 50 1HG GLU 50 9.671 -12.296 -5.784 400 2HG GLU 50 2HG GLU 50 8.129 -12.658 -6.579 401 H SER 51 H SER 51 7.859 -15.071 -4.401 402 HA SER 51 HA SER 51 10.671 -15.571 -3.660 403 1HB SER 51 1HB SER 51 8.177 -17.185 -2.946 404 2HB SER 51 2HB SER 51 9.842 -17.737 -2.708 405 HG SER 51 HG SER 51 9.003 -16.857 -0.822 406 H ASP 52 H ASP 52 11.103 -17.881 -4.532 407 HA ASP 52 HA ASP 52 11.654 -17.961 -7.056 408 1HB ASP 52 1HB ASP 52 12.260 -19.739 -5.592 409 2HB ASP 52 2HB ASP 52 10.591 -20.257 -5.400 410 H ASN 53 H ASN 53 8.527 -19.367 -6.035 411 HA ASN 53 HA ASN 53 7.264 -18.509 -8.585 412 1HB ASN 53 1HB ASN 53 7.704 -21.346 -7.662 413 2HB ASN 53 2HB ASN 53 6.172 -20.970 -8.424 414 1HD2 ASN 53 1HD2 ASN 53 9.612 -21.422 -9.015 415 2HD2 ASN 53 2HD2 ASN 53 9.487 -21.192 -10.769 416 H ALA 54 H ALA 54 7.019 -17.599 -5.587 417 HA ALA 54 HA ALA 54 4.126 -18.081 -5.336 418 1HB ALA 54 1HB ALA 54 4.342 -18.711 -2.963 419 2HB ALA 54 2HB ALA 54 5.103 -19.918 -4.014 420 3HB ALA 54 3HB ALA 54 6.111 -18.752 -3.118 421 H VAL 55 H VAL 55 3.154 -16.582 -3.808 422 HA VAL 55 HA VAL 55 4.805 -14.167 -3.267 423 HB VAL 55 HB VAL 55 2.286 -14.259 -4.987 424 1HG1 VAL 55 1HG1 VAL 55 2.632 -11.778 -5.193 425 2HG1 VAL 55 2HG1 VAL 55 2.196 -12.263 -3.541 426 3HG1 VAL 55 3HG1 VAL 55 3.895 -11.941 -3.958 427 1HG2 VAL 55 1HG2 VAL 55 5.137 -13.275 -5.573 428 2HG2 VAL 55 2HG2 VAL 55 4.413 -14.732 -6.256 429 3HG2 VAL 55 3HG2 VAL 55 3.762 -13.155 -6.685 430 H CYS 56 H CYS 56 4.581 -13.860 -1.110 431 HA CYS 56 HA CYS 56 1.996 -14.663 0.185 432 1HB CYS 56 1HB CYS 56 4.810 -14.455 1.308 433 2HB CYS 56 2HB CYS 56 3.369 -14.717 2.289 434 HG CYS 56 HG CYS 56 4.901 -16.894 1.782 435 H LEU 57 H LEU 57 0.684 -12.942 0.545 436 HA LEU 57 HA LEU 57 1.796 -10.242 0.861 437 1HB LEU 57 1HB LEU 57 -0.967 -11.439 0.710 438 2HB LEU 57 2HB LEU 57 -0.792 -9.855 1.454 439 HG LEU 57 HG LEU 57 0.332 -10.518 -1.292 440 1HD1 LEU 57 1HD1 LEU 57 -2.201 -10.649 -1.128 441 2HD1 LEU 57 2HD1 LEU 57 -2.194 -8.922 -0.746 442 3HD1 LEU 57 3HD1 LEU 57 -1.538 -9.494 -2.304 443 1HD2 LEU 57 1HD2 LEU 57 1.287 -8.467 -0.086 444 2HD2 LEU 57 2HD2 LEU 57 0.490 -8.172 -1.616 445 3HD2 LEU 57 3HD2 LEU 57 -0.333 -7.774 -0.111 446 H HIS 58 H HIS 58 2.793 -9.773 2.675 447 HA HIS 58 HA HIS 58 2.159 -11.021 5.274 448 1HB HIS 58 1HB HIS 58 4.102 -8.924 4.283 449 2HB HIS 58 2HB HIS 58 3.878 -9.208 5.999 450 HD1 HIS 58 HD1 HIS 58 5.929 -10.650 6.826 451 HD2 HIS 58 HD2 HIS 58 4.589 -11.504 2.901 452 HE1 HIS 58 HE1 HIS 58 7.360 -12.597 5.905 453 HE2 HIS 58 HE2 HIS 58 6.514 -13.148 3.596 454 H LEU 59 H LEU 59 0.099 -10.434 5.780 455 HA LEU 59 HA LEU 59 -0.721 -7.594 5.605 456 1HB LEU 59 1HB LEU 59 -2.149 -9.668 4.950 457 2HB LEU 59 2HB LEU 59 -2.172 -10.029 6.655 458 HG LEU 59 HG LEU 59 -3.124 -7.369 6.591 459 1HD1 LEU 59 1HD1 LEU 59 -4.343 -8.978 4.281 460 2HD1 LEU 59 2HD1 LEU 59 -5.037 -7.495 4.962 461 3HD1 LEU 59 3HD1 LEU 59 -3.488 -7.428 4.134 462 1HD2 LEU 59 1HD2 LEU 59 -5.331 -8.501 7.017 463 2HD2 LEU 59 2HD2 LEU 59 -4.575 -10.030 6.511 464 3HD2 LEU 59 3HD2 LEU 59 -3.984 -9.173 7.966 465 H ARG 60 H ARG 60 -1.011 -6.322 7.387 466 HA ARG 60 HA ARG 60 0.447 -6.933 9.765 467 1HB ARG 60 1HB ARG 60 -1.768 -4.886 9.316 468 2HB ARG 60 2HB ARG 60 -0.636 -4.847 10.651 469 1HG ARG 60 1HG ARG 60 0.236 -4.640 7.724 470 2HG ARG 60 2HG ARG 60 -0.205 -3.260 8.701 471 1HD ARG 60 1HD ARG 60 1.774 -4.901 10.122 472 2HD ARG 60 2HD ARG 60 2.337 -4.511 8.508 473 HE ARG 60 HE ARG 60 2.322 -2.209 8.982 474 1HH1 ARG 60 2HH2 ARG 60 1.140 -4.028 11.848 475 2HH1 ARG 60 1HH2 ARG 60 0.855 -2.592 12.751 476 1HH2 ARG 60 2HH1 ARG 60 2.063 -0.385 10.250 477 2HH2 ARG 60 1HH1 ARG 60 1.566 -0.499 11.903 478 H SER 61 H SER 61 -0.200 -8.174 11.598 479 HA SER 61 HA SER 61 -2.621 -9.522 11.761 480 1HB SER 61 1HB SER 61 -0.824 -8.592 14.027 481 2HB SER 61 2HB SER 61 -2.063 -9.839 14.135 482 HG SER 61 HG SER 61 -1.009 -11.084 12.699 483 H SER 62 H SER 62 -1.768 -6.247 12.793 484 HA SER 62 HA SER 62 -3.972 -5.846 14.580 485 1HB SER 62 1HB SER 62 -2.339 -3.783 13.065 486 2HB SER 62 2HB SER 62 -3.326 -3.523 14.522 487 HG SER 62 HG SER 62 -0.916 -4.973 14.179 488 H GLN 63 H GLN 63 -3.834 -5.918 11.150 489 HA GLN 63 HA GLN 63 -6.614 -4.864 10.928 490 1HB GLN 63 1HB GLN 63 -4.271 -4.564 9.011 491 2HB GLN 63 2HB GLN 63 -5.951 -4.262 8.578 492 1HG GLN 63 1HG GLN 63 -5.055 -2.133 9.112 493 2HG GLN 63 2HG GLN 63 -6.130 -2.579 10.416 494 1HE2 GLN 63 1HE2 GLN 63 -5.172 -1.226 11.971 495 2HE2 GLN 63 2HE2 GLN 63 -3.590 -1.497 12.649 496 H ARG 64 H ARG 64 -5.286 -7.678 11.368 497 HA ARG 64 HA ARG 64 -5.823 -9.245 9.095 498 1HB ARG 64 1HB ARG 64 -4.580 -9.915 11.220 499 2HB ARG 64 2HB ARG 64 -6.141 -10.177 11.980 500 1HG ARG 64 1HG ARG 64 -5.095 -12.259 11.226 501 2HG ARG 64 2HG ARG 64 -6.606 -11.999 10.334 502 1HD ARG 64 1HD ARG 64 -5.376 -11.204 8.399 503 2HD ARG 64 2HD ARG 64 -3.855 -11.176 9.319 504 HE ARG 64 HE ARG 64 -4.949 -13.829 9.257 505 1HH1 ARG 64 2HH2 ARG 64 -3.360 -11.450 7.177 506 2HH1 ARG 64 1HH2 ARG 64 -2.306 -12.578 6.423 507 1HH2 ARG 64 2HH1 ARG 64 -3.437 -15.290 8.278 508 2HH2 ARG 64 1HH1 ARG 64 -2.724 -14.926 6.749 509 H HIS 65 H HIS 65 -8.013 -7.826 11.291 510 HA HIS 65 HA HIS 65 -10.364 -9.173 11.178 511 1HB HIS 65 1HB HIS 65 -9.933 -7.021 12.266 512 2HB HIS 65 2HB HIS 65 -9.821 -6.206 10.707 513 HD1 HIS 65 HD1 HIS 65 -12.593 -8.439 12.330 514 HD2 HIS 65 HD2 HIS 65 -11.896 -4.664 10.517 515 HE1 HIS 65 HE1 HIS 65 -14.803 -7.151 12.424 516 HE2 HIS 65 HE2 HIS 65 -14.369 -4.843 11.330 517 H LEU 66 H LEU 66 -8.939 -7.423 8.355 518 HA LEU 66 HA LEU 66 -11.451 -7.776 6.846 519 1HB LEU 66 1HB LEU 66 -8.752 -6.513 6.168 520 2HB LEU 66 2HB LEU 66 -9.979 -6.801 4.956 521 HG LEU 66 HG LEU 66 -10.144 -4.543 5.523 522 1HD1 LEU 66 1HD1 LEU 66 -12.427 -4.293 6.183 523 2HD1 LEU 66 2HD1 LEU 66 -12.305 -5.779 5.242 524 3HD1 LEU 66 3HD1 LEU 66 -12.457 -5.855 7.013 525 1HD2 LEU 66 1HD2 LEU 66 -9.030 -4.607 7.751 526 2HD2 LEU 66 2HD2 LEU 66 -10.535 -3.670 7.760 527 3HD2 LEU 66 3HD2 LEU 66 -10.515 -5.288 8.461 528 H ASN 67 H ASN 67 -8.581 -9.650 7.345 529 HA ASN 67 HA ASN 67 -8.274 -10.627 4.672 530 1HB ASN 67 1HB ASN 67 -6.512 -10.739 6.412 531 2HB ASN 67 2HB ASN 67 -7.401 -12.029 7.234 532 1HD2 ASN 67 1HD2 ASN 67 -6.756 -14.178 6.506 533 2HD2 ASN 67 2HD2 ASN 67 -5.917 -14.430 5.009 534 H ASN 68 H ASN 68 -9.610 -11.799 3.648 535 HA ASN 68 HA ASN 68 -10.845 -14.157 4.976 536 1HB ASN 68 1HB ASN 68 -12.976 -13.874 3.957 537 2HB ASN 68 2HB ASN 68 -12.591 -12.424 4.874 538 1HD2 ASN 68 1HD2 ASN 68 -13.820 -13.493 1.933 539 2HD2 ASN 68 2HD2 ASN 68 -13.585 -11.995 1.040 540 H ARG 69 H ARG 69 -11.152 -15.986 3.569 541 HA ARG 69 HA ARG 69 -9.111 -16.073 1.519 542 1HB ARG 69 1HB ARG 69 -11.236 -18.093 2.325 543 2HB ARG 69 2HB ARG 69 -10.071 -18.344 1.009 544 1HG ARG 69 1HG ARG 69 -8.213 -17.790 2.655 545 2HG ARG 69 2HG ARG 69 -9.433 -17.842 3.941 546 1HD ARG 69 1HD ARG 69 -9.914 -20.195 3.372 547 2HD ARG 69 2HD ARG 69 -8.705 -20.137 2.071 548 HE ARG 69 HE ARG 69 -7.411 -19.256 4.371 549 1HH1 ARG 69 2HH2 ARG 69 -8.944 -22.302 3.338 550 2HH1 ARG 69 1HH2 ARG 69 -8.476 -23.173 4.753 551 1HH2 ARG 69 2HH1 ARG 69 -6.255 -20.588 5.855 552 2HH2 ARG 69 1HH1 ARG 69 -6.760 -22.199 6.169 553 H GLY 70 H GLY 70 -12.620 -15.519 1.373 554 1HA GLY 70 1HA GLY 70 -12.949 -15.746 -1.403 555 2HA GLY 70 2HA GLY 70 -13.824 -14.590 -0.383 556 H ALA 71 H ALA 71 -11.406 -13.026 0.482 557 HA ALA 71 HA ALA 71 -11.135 -11.387 -1.882 558 1HB ALA 71 1HB ALA 71 -11.126 -10.283 0.262 559 2HB ALA 71 2HB ALA 71 -9.820 -11.308 0.866 560 3HB ALA 71 3HB ALA 71 -9.490 -10.134 -0.410 561 H GLN 72 H GLN 72 -9.019 -13.712 -0.148 562 HA GLN 72 HA GLN 72 -6.694 -13.333 -1.648 563 1HB GLN 72 1HB GLN 72 -6.717 -14.595 0.407 564 2HB GLN 72 2HB GLN 72 -7.765 -15.824 -0.259 565 1HG GLN 72 1HG GLN 72 -4.984 -15.282 -1.372 566 2HG GLN 72 2HG GLN 72 -5.284 -16.394 -0.036 567 1HE2 GLN 72 1HE2 GLN 72 -4.229 -17.011 -2.783 568 2HE2 GLN 72 2HE2 GLN 72 -5.375 -18.106 -3.540 569 H GLN 73 H GLN 73 -9.495 -15.517 -2.374 570 HA GLN 73 HA GLN 73 -8.314 -16.803 -4.585 571 1HB GLN 73 1HB GLN 73 -11.201 -16.173 -3.838 572 2HB GLN 73 2HB GLN 73 -10.750 -17.231 -5.159 573 1HG GLN 73 1HG GLN 73 -9.846 -17.771 -2.307 574 2HG GLN 73 2HG GLN 73 -11.392 -18.311 -2.924 575 1HE2 GLN 73 1HE2 GLN 73 -7.953 -18.863 -2.932 576 2HE2 GLN 73 2HE2 GLN 73 -8.027 -20.426 -3.754 577 H LYS 74 H LYS 74 -10.362 -13.863 -4.429 578 HA LYS 74 HA LYS 74 -10.326 -13.417 -7.265 579 1HB LYS 74 1HB LYS 74 -11.808 -12.382 -5.300 580 2HB LYS 74 2HB LYS 74 -10.569 -11.148 -5.247 581 1HG LYS 74 1HG LYS 74 -12.459 -11.836 -7.532 582 2HG LYS 74 2HG LYS 74 -12.455 -10.399 -6.525 583 1HD LYS 74 1HD LYS 74 -11.491 -9.500 -8.387 584 2HD LYS 74 2HD LYS 74 -10.020 -10.046 -7.580 585 1HE LYS 74 1HE LYS 74 -10.448 -12.286 -8.926 586 2HE LYS 74 2HE LYS 74 -11.578 -11.319 -9.875 587 1HZ LYS 74 1HZ LYS 74 -9.405 -11.384 -10.902 588 2HZ LYS 74 2HZ LYS 74 -9.708 -9.855 -10.422 589 3HZ LYS 74 3HZ LYS 74 -8.698 -10.822 -9.533 590 H LEU 75 H LEU 75 -8.274 -12.218 -4.601 591 HA LEU 75 HA LEU 75 -6.601 -10.521 -6.146 592 1HB LEU 75 1HB LEU 75 -6.753 -11.268 -3.447 593 2HB LEU 75 2HB LEU 75 -5.339 -12.047 -3.915 594 HG LEU 75 HG LEU 75 -5.991 -9.095 -4.135 595 1HD1 LEU 75 1HD1 LEU 75 -4.256 -8.857 -2.360 596 2HD1 LEU 75 2HD1 LEU 75 -5.640 -9.839 -1.863 597 3HD1 LEU 75 3HD1 LEU 75 -4.125 -10.631 -2.312 598 1HD2 LEU 75 1HD2 LEU 75 -4.456 -9.611 -5.991 599 2HD2 LEU 75 2HD2 LEU 75 -3.730 -8.568 -4.770 600 3HD2 LEU 75 3HD2 LEU 75 -3.290 -10.279 -4.839 601 H ALA 76 H ALA 76 -6.507 -14.049 -5.513 602 HA ALA 76 HA ALA 76 -3.957 -14.501 -6.684 603 1HB ALA 76 1HB ALA 76 -4.567 -16.871 -6.541 604 2HB ALA 76 2HB ALA 76 -4.986 -16.017 -5.045 605 3HB ALA 76 3HB ALA 76 -6.258 -16.442 -6.212 606 H GLU 77 H GLU 77 -7.289 -14.839 -8.021 607 HA GLU 77 HA GLU 77 -6.363 -15.727 -10.570 608 1HB GLU 77 1HB GLU 77 -8.763 -15.702 -9.598 609 2HB GLU 77 2HB GLU 77 -8.860 -14.023 -10.101 610 1HG GLU 77 1HG GLU 77 -8.833 -14.534 -12.383 611 2HG GLU 77 2HG GLU 77 -7.871 -15.988 -12.165 612 H ALA 78 H ALA 78 -6.515 -12.541 -9.118 613 HA ALA 78 HA ALA 78 -6.010 -11.056 -11.585 614 1HB ALA 78 1HB ALA 78 -7.063 -9.988 -9.593 615 2HB ALA 78 2HB ALA 78 -5.544 -10.162 -8.708 616 3HB ALA 78 3HB ALA 78 -5.633 -9.143 -10.154 617 H LEU 79 H LEU 79 -3.882 -11.958 -8.774 618 HA LEU 79 HA LEU 79 -1.504 -11.060 -9.982 619 1HB LEU 79 1HB LEU 79 -2.315 -12.291 -7.543 620 2HB LEU 79 2HB LEU 79 -1.030 -13.305 -8.176 621 HG LEU 79 HG LEU 79 -0.823 -10.266 -7.871 622 1HD1 LEU 79 1HD1 LEU 79 0.505 -10.771 -5.848 623 2HD1 LEU 79 2HD1 LEU 79 -1.188 -11.253 -5.710 624 3HD1 LEU 79 3HD1 LEU 79 0.062 -12.490 -6.008 625 1HD2 LEU 79 1HD2 LEU 79 0.806 -11.322 -9.502 626 2HD2 LEU 79 2HD2 LEU 79 1.608 -10.657 -8.076 627 3HD2 LEU 79 3HD2 LEU 79 1.349 -12.410 -8.216 628 H SER 80 H SER 80 -3.111 -14.244 -10.145 629 HA SER 80 HA SER 80 -1.100 -15.676 -11.533 630 1HB SER 80 1HB SER 80 -4.141 -15.849 -11.713 631 2HB SER 80 2HB SER 80 -3.037 -17.024 -12.421 632 HG SER 80 HG SER 80 -3.409 -16.372 -9.694 633 H MET 81 H MET 81 -3.726 -13.469 -12.691 634 HA MET 81 HA MET 81 -3.187 -14.005 -15.453 635 1HB MET 81 1HB MET 81 -5.361 -13.095 -14.485 636 2HB MET 81 2HB MET 81 -4.550 -11.532 -14.297 637 1HG MET 81 1HG MET 81 -5.807 -11.560 -16.348 638 2HG MET 81 2HG MET 81 -4.101 -11.522 -16.762 639 1HE MET 81 1HE MET 81 -3.319 -12.797 -18.729 640 2HE MET 81 2HE MET 81 -2.750 -13.977 -17.526 641 3HE MET 81 3HE MET 81 -3.603 -14.534 -18.970 642 H LEU 82 H LEU 82 -2.142 -11.520 -13.133 643 HA LEU 82 HA LEU 82 -0.663 -9.852 -14.903 644 1HB LEU 82 1HB LEU 82 -1.236 -9.116 -12.713 645 2HB LEU 82 2HB LEU 82 -0.475 -10.508 -11.952 646 HG LEU 82 HG LEU 82 1.762 -9.689 -12.634 647 1HD1 LEU 82 1HD1 LEU 82 1.188 -8.341 -14.615 648 2HD1 LEU 82 2HD1 LEU 82 0.208 -7.245 -13.613 649 3HD1 LEU 82 3HD1 LEU 82 1.968 -7.326 -13.400 650 1HD2 LEU 82 1HD2 LEU 82 1.891 -8.001 -10.965 651 2HD2 LEU 82 2HD2 LEU 82 0.166 -7.591 -11.100 652 3HD2 LEU 82 3HD2 LEU 82 0.687 -9.150 -10.420 653 H LYS 83 H LYS 83 0.416 -12.634 -12.883 654 HA LYS 83 HA LYS 83 3.084 -12.613 -13.946 655 1HB LYS 83 1HB LYS 83 2.187 -13.497 -11.716 656 2HB LYS 83 2HB LYS 83 1.673 -14.945 -12.568 657 1HG LYS 83 1HG LYS 83 4.527 -13.986 -12.847 658 2HG LYS 83 2HG LYS 83 4.045 -14.675 -11.307 659 1HD LYS 83 1HD LYS 83 3.605 -16.821 -12.213 660 2HD LYS 83 2HD LYS 83 3.579 -16.220 -13.871 661 1HE LYS 83 1HE LYS 83 6.012 -15.460 -13.499 662 2HE LYS 83 2HE LYS 83 5.975 -16.415 -12.014 663 1HZ LYS 83 1HZ LYS 83 5.564 -18.365 -13.317 664 2HZ LYS 83 2HZ LYS 83 5.507 -17.481 -14.727 665 3HZ LYS 83 3HZ LYS 83 6.906 -17.601 -13.895 666 H GLY 84 H GLY 84 0.113 -13.889 -15.208 667 1HA GLY 84 1HA GLY 84 -0.328 -14.780 -17.277 668 2HA GLY 84 2HA GLY 84 1.400 -14.909 -17.623 669 H SER 85 H SER 85 0.956 -16.258 -14.572 670 HA SER 85 HA SER 85 0.012 -18.838 -15.369 671 1HB SER 85 1HB SER 85 2.936 -18.335 -14.784 672 2HB SER 85 2HB SER 85 2.190 -19.776 -14.089 673 HG SER 85 HG SER 85 2.076 -19.083 -16.863 674 H THR 86 H THR 86 -0.150 -20.230 -13.391 675 HA THR 86 HA THR 86 -1.365 -18.935 -11.243 676 HB THR 86 HB THR 86 0.045 -21.642 -11.469 677 HG1 THR 86 1HG THR 86 -2.604 -20.790 -12.013 678 1HG2 THR 86 1HG2 THR 86 -1.714 -22.395 -9.880 679 2HG2 THR 86 2HG2 THR 86 -0.521 -21.315 -9.146 680 3HG2 THR 86 3HG2 THR 86 -2.135 -20.695 -9.573 681 H VAL 87 H VAL 87 -0.704 -18.509 -9.127 682 HA VAL 87 HA VAL 87 2.151 -18.706 -8.393 683 HB VAL 87 HB VAL 87 0.338 -16.231 -8.293 684 1HG1 VAL 87 1HG1 VAL 87 3.147 -16.575 -7.174 685 2HG1 VAL 87 2HG1 VAL 87 2.230 -15.051 -7.281 686 3HG1 VAL 87 3HG1 VAL 87 1.655 -16.337 -6.226 687 1HG2 VAL 87 1HG2 VAL 87 2.139 -15.118 -9.609 688 2HG2 VAL 87 2HG2 VAL 87 2.967 -16.687 -9.764 689 3HG2 VAL 87 3HG2 VAL 87 1.369 -16.429 -10.494 690 H GLU 88 H GLU 88 2.297 -19.081 -6.060 691 HA GLU 88 HA GLU 88 -0.283 -19.825 -4.784 692 1HB GLU 88 1HB GLU 88 2.612 -20.340 -4.132 693 2HB GLU 88 2HB GLU 88 1.458 -20.212 -2.804 694 1HG GLU 88 1HG GLU 88 1.826 -22.540 -3.518 695 2HG GLU 88 2HG GLU 88 0.147 -22.023 -3.582 696 H LEU 89 H LEU 89 -1.136 -17.764 -4.898 697 HA LEU 89 HA LEU 89 0.185 -15.564 -3.487 698 1HB LEU 89 1HB LEU 89 -1.136 -14.835 -5.284 699 2HB LEU 89 2HB LEU 89 -2.525 -15.808 -4.763 700 HG LEU 89 HG LEU 89 -2.831 -14.415 -2.753 701 1HD1 LEU 89 1HD1 LEU 89 -1.730 -12.318 -2.398 702 2HD1 LEU 89 2HD1 LEU 89 -0.552 -13.602 -2.248 703 3HD1 LEU 89 3HD1 LEU 89 -0.599 -12.603 -3.727 704 1HD2 LEU 89 1HD2 LEU 89 -4.038 -13.727 -4.513 705 2HD2 LEU 89 2HD2 LEU 89 -3.260 -12.235 -3.979 706 3HD2 LEU 89 3HD2 LEU 89 -2.658 -13.051 -5.429 707 H THR 90 H THR 90 0.310 -15.811 -1.323 708 HA THR 90 HA THR 90 -2.013 -17.015 0.150 709 HB THR 90 HB THR 90 0.921 -16.956 0.889 710 HG1 THR 90 1HG THR 90 1.087 -18.903 -0.021 711 1HG2 THR 90 1HG2 THR 90 -0.476 -17.314 2.875 712 2HG2 THR 90 2HG2 THR 90 -1.319 -18.652 2.040 713 3HG2 THR 90 3HG2 THR 90 0.400 -18.777 2.441 714 H ILE 91 H ILE 91 -2.231 -16.051 2.368 715 HA ILE 91 HA ILE 91 -1.241 -13.245 2.523 716 HB ILE 91 HB ILE 91 -3.898 -13.850 3.759 717 1HG1 ILE 91 1HG1 ILE 91 -4.216 -14.577 1.346 718 2HG1 ILE 91 2HG1 ILE 91 -5.286 -13.395 2.028 719 1HG2 ILE 91 1HG2 ILE 91 -2.592 -11.374 2.576 720 2HG2 ILE 91 2HG2 ILE 91 -4.176 -11.409 3.353 721 3HG2 ILE 91 3HG2 ILE 91 -2.720 -11.806 4.286 722 1HD1 ILE 91 1HD1 ILE 91 -4.231 -11.577 0.811 723 2HD1 ILE 91 2HD1 ILE 91 -3.002 -12.701 0.164 724 3HD1 ILE 91 3HD1 ILE 91 -4.715 -12.868 -0.285 725 H VAL 92 H VAL 92 0.189 -13.307 4.136 726 HA VAL 92 HA VAL 92 -0.140 -15.323 6.323 727 HB VAL 92 HB VAL 92 2.243 -15.224 6.603 728 1HG1 VAL 92 1HG1 VAL 92 1.660 -15.574 3.639 729 2HG1 VAL 92 2HG1 VAL 92 3.046 -16.213 4.537 730 3HG1 VAL 92 3HG1 VAL 92 1.422 -16.802 4.909 731 1HG2 VAL 92 1HG2 VAL 92 3.760 -14.014 5.103 732 2HG2 VAL 92 2HG2 VAL 92 2.380 -13.189 4.349 733 3HG2 VAL 92 3HG2 VAL 92 2.782 -12.927 6.075 734 H GLU 93 H GLU 93 0.856 -14.336 8.480 735 HA GLU 93 HA GLU 93 -0.297 -11.595 8.741 736 1HB GLU 93 1HB GLU 93 -0.838 -12.348 11.079 737 2HB GLU 93 2HB GLU 93 -1.901 -12.867 9.793 738 1HG GLU 93 1HG GLU 93 0.309 -14.727 10.711 739 2HG GLU 93 2HG GLU 93 -1.123 -14.499 11.702 740 H ASP 94 H ASP 94 1.355 -10.250 8.980 741 HA ASP 94 HA ASP 94 3.508 -10.898 10.902 742 1HB ASP 94 1HB ASP 94 4.383 -11.644 8.761 743 2HB ASP 94 2HB ASP 94 3.913 -10.121 8.004 744 H ASP 95 H ASP 95 3.012 -9.319 12.307 745 HA ASP 95 HA ASP 95 1.808 -6.786 11.385 746 1HB ASP 95 1HB ASP 95 1.149 -8.145 13.477 747 2HB ASP 95 2HB ASP 95 2.598 -7.495 14.230 748 H ASN 96 H ASN 96 5.000 -7.858 11.761 749 HA ASN 96 HA ASN 96 6.137 -5.750 13.245 750 1HB ASN 96 1HB ASN 96 7.214 -7.979 12.685 751 2HB ASN 96 2HB ASN 96 7.542 -7.323 11.075 752 1HD2 ASN 96 1HD2 ASN 96 8.331 -7.114 14.511 753 2HD2 ASN 96 2HD2 ASN 96 9.651 -5.976 14.379 754 HA PRO 97 HA PRO 97 5.762 -2.542 10.164 755 1HB PRO 97 1HB PRO 97 7.079 -0.494 11.397 756 2HB PRO 97 2HB PRO 97 5.550 -1.178 12.028 757 1HG PRO 97 1HG PRO 97 8.389 -1.910 12.847 758 2HG PRO 97 2HG PRO 97 7.040 -1.384 13.915 759 1HD PRO 97 1HD PRO 97 7.591 -3.993 13.522 760 2HD PRO 97 2HD PRO 97 5.898 -3.425 13.597 761 H ALA 98 H ALA 98 8.438 -4.400 10.222 762 HA ALA 98 HA ALA 98 10.542 -2.693 9.415 763 1HB ALA 98 1HB ALA 98 10.116 -5.667 8.879 764 2HB ALA 98 2HB ALA 98 11.643 -4.796 8.644 765 3HB ALA 98 3HB ALA 98 10.972 -4.949 10.266 766 H VAL 99 H VAL 99 7.848 -3.616 7.649 767 HA VAL 99 HA VAL 99 9.064 -2.597 5.118 768 HB VAL 99 HB VAL 99 7.168 -4.950 5.204 769 1HG1 VAL 99 1HG1 VAL 99 7.087 -3.732 3.058 770 2HG1 VAL 99 2HG1 VAL 99 8.865 -3.823 2.936 771 3HG1 VAL 99 3HG1 VAL 99 7.875 -5.282 2.839 772 1HG2 VAL 99 1HG2 VAL 99 9.270 -5.743 6.150 773 2HG2 VAL 99 2HG2 VAL 99 9.068 -6.372 4.523 774 3HG2 VAL 99 3HG2 VAL 99 10.186 -5.012 4.807 775 H ARG 100 H ARG 100 7.510 -1.601 3.694 776 HA ARG 100 HA ARG 100 5.197 -0.430 5.159 777 1HB ARG 100 1HB ARG 100 6.634 0.435 2.643 778 2HB ARG 100 2HB ARG 100 5.329 1.324 3.406 779 1HG ARG 100 1HG ARG 100 8.069 0.809 4.646 780 2HG ARG 100 2HG ARG 100 7.636 2.257 3.740 781 1HD ARG 100 1HD ARG 100 5.950 2.880 5.346 782 2HD ARG 100 2HD ARG 100 6.163 1.359 6.240 783 HE ARG 100 HE ARG 100 8.663 2.248 6.304 784 1HH1 ARG 100 2HH2 ARG 100 5.776 4.288 6.794 785 2HH1 ARG 100 1HH2 ARG 100 6.649 5.394 7.813 786 1HH2 ARG 100 2HH1 ARG 100 9.557 3.419 7.984 787 2HH2 ARG 100 1HH1 ARG 100 8.841 4.938 8.470 788 H THR 101 H THR 101 3.172 -1.051 4.526 789 HA THR 101 HA THR 101 2.754 -2.783 2.208 790 HB THR 101 HB THR 101 0.455 -2.726 3.013 791 HG1 THR 101 1HG THR 101 -0.188 -1.319 4.566 792 1HG2 THR 101 1HG2 THR 101 0.639 -3.547 5.290 793 2HG2 THR 101 2HG2 THR 101 2.055 -4.112 4.391 794 3HG2 THR 101 3HG2 THR 101 2.201 -2.759 5.524 795 HA PRO 102 HA PRO 102 1.769 0.617 -0.591 796 1HB PRO 102 1HB PRO 102 -1.060 -0.382 -0.825 797 2HB PRO 102 2HB PRO 102 0.053 0.126 -2.132 798 1HG PRO 102 1HG PRO 102 -0.338 -2.495 -1.667 799 2HG PRO 102 2HG PRO 102 1.338 -1.889 -1.883 800 1HD PRO 102 1HD PRO 102 -0.125 -2.459 0.721 801 2HD PRO 102 2HD PRO 102 1.528 -2.944 0.242 802 H LEU 103 H LEU 103 -0.567 -0.048 2.014 803 HA LEU 103 HA LEU 103 -1.793 2.564 2.118 804 1HB LEU 103 1HB LEU 103 -2.790 0.570 3.048 805 2HB LEU 103 2HB LEU 103 -1.474 0.331 4.175 806 HG LEU 103 HG LEU 103 -3.191 2.833 4.283 807 1HD1 LEU 103 1HD1 LEU 103 -3.745 0.128 5.587 808 2HD1 LEU 103 2HD1 LEU 103 -4.628 1.628 5.914 809 3HD1 LEU 103 3HD1 LEU 103 -4.714 0.891 4.309 810 1HD2 LEU 103 1HD2 LEU 103 -1.552 1.287 6.359 811 2HD2 LEU 103 2HD2 LEU 103 -1.215 2.924 5.749 812 3HD2 LEU 103 3HD2 LEU 103 -2.624 2.629 6.750 813 H GLU 104 H GLU 104 0.863 0.977 4.016 814 HA GLU 104 HA GLU 104 1.383 3.427 5.446 815 1HB GLU 104 1HB GLU 104 2.937 0.807 5.300 816 2HB GLU 104 2HB GLU 104 3.303 2.158 6.392 817 1HG GLU 104 1HG GLU 104 0.854 2.016 7.164 818 2HG GLU 104 2HG GLU 104 0.764 0.468 6.337 819 H TRP 105 H TRP 105 2.734 2.055 2.456 820 HA TRP 105 HA TRP 105 4.935 3.897 2.271 821 1HB TRP 105 1HB TRP 105 3.412 2.163 0.302 822 2HB TRP 105 2HB TRP 105 4.325 3.503 -0.337 823 HD1 TRP 105 HD TRP 105 4.768 0.089 -0.134 824 HE1 TRP 105 1HE TRP 105 7.217 -0.588 -0.232 825 HE3 TRP 105 3HE TRP 105 6.908 4.582 1.156 826 HZ2 TRP 105 2HZ TRP 105 9.802 0.591 0.489 827 HZ3 TRP 105 3HZ TRP 105 9.311 4.705 1.646 828 HH2 TRP 105 HH TRP 105 10.771 2.707 1.346 829 H ARG 106 H ARG 106 1.552 3.992 1.003 830 HA ARG 106 HA ARG 106 1.798 6.463 -0.335 831 1HB ARG 106 1HB ARG 106 -0.093 4.817 -0.440 832 2HB ARG 106 2HB ARG 106 -0.637 5.393 1.142 833 1HG ARG 106 1HG ARG 106 -0.826 7.690 0.079 834 2HG ARG 106 2HG ARG 106 -0.526 6.948 -1.490 835 1HD ARG 106 1HD ARG 106 -2.695 5.733 0.242 836 2HD ARG 106 2HD ARG 106 -2.984 7.342 -0.390 837 HE ARG 106 HE ARG 106 -3.234 6.605 -2.482 838 1HH1 ARG 106 2HH2 ARG 106 -1.764 3.816 -0.743 839 2HH1 ARG 106 1HH2 ARG 106 -2.256 2.691 -1.970 840 1HH2 ARG 106 2HH1 ARG 106 -3.973 4.979 -3.997 841 2HH2 ARG 106 1HH1 ARG 106 -3.640 3.323 -3.694 842 H GLN 107 H GLN 107 1.013 5.814 3.084 843 HA GLN 107 HA GLN 107 0.795 8.617 3.733 844 1HB GLN 107 1HB GLN 107 -0.081 6.568 5.095 845 2HB GLN 107 2HB GLN 107 1.563 6.456 5.722 846 1HG GLN 107 1HG GLN 107 0.886 9.214 5.961 847 2HG GLN 107 2HG GLN 107 -0.607 8.378 6.335 848 1HE2 GLN 107 1HE2 GLN 107 1.816 9.817 7.879 849 2HE2 GLN 107 2HE2 GLN 107 1.984 8.788 9.283 850 H ALA 108 H ALA 108 3.569 6.260 3.968 851 HA ALA 108 HA ALA 108 5.362 8.003 5.299 852 1HB ALA 108 1HB ALA 108 5.746 5.576 5.005 853 2HB ALA 108 2HB ALA 108 5.921 5.798 3.252 854 3HB ALA 108 3HB ALA 108 7.107 6.510 4.350 855 H ILE 109 H ILE 109 4.672 7.529 1.859 856 HA ILE 109 HA ILE 109 6.617 9.229 0.745 857 HB ILE 109 HB ILE 109 4.007 8.030 -0.132 858 1HG1 ILE 109 1HG1 ILE 109 6.346 6.835 0.173 859 2HG1 ILE 109 2HG1 ILE 109 5.336 6.463 -1.192 860 1HG2 ILE 109 1HG2 ILE 109 5.657 9.864 -1.899 861 2HG2 ILE 109 2HG2 ILE 109 4.357 8.752 -2.423 862 3HG2 ILE 109 3HG2 ILE 109 4.010 10.104 -1.349 863 1HD1 ILE 109 1HD1 ILE 109 7.806 6.831 -1.676 864 2HD1 ILE 109 2HD1 ILE 109 6.708 7.771 -2.688 865 3HD1 ILE 109 3HD1 ILE 109 7.565 8.539 -1.327 866 H TYR 110 H TYR 110 3.483 9.982 2.274 867 HA TYR 110 HA TYR 110 3.380 12.639 1.191 868 1HB TYR 110 1HB TYR 110 1.531 11.382 2.513 869 2HB TYR 110 2HB TYR 110 2.357 11.933 3.969 870 HD1 TYR 110 HD1 TYR 110 2.179 14.354 4.615 871 HD2 TYR 110 HD2 TYR 110 0.948 12.983 0.736 872 HE1 TYR 110 HE1 TYR 110 1.378 16.638 4.047 873 HE2 TYR 110 HE2 TYR 110 0.191 15.235 0.128 874 HH TYR 110 HH TYR 110 0.394 17.443 0.727 875 H GLU 111 H GLU 111 4.922 11.199 4.087 876 HA GLU 111 HA GLU 111 5.961 13.751 4.941 877 1HB GLU 111 1HB GLU 111 5.545 11.542 6.348 878 2HB GLU 111 2HB GLU 111 7.195 11.157 5.837 879 1HG GLU 111 1HG GLU 111 7.850 13.501 6.644 880 2HG GLU 111 2HG GLU 111 6.218 13.673 7.280 881 H GLU 112 H GLU 112 7.187 11.139 2.667 882 HA GLU 112 HA GLU 112 9.824 12.045 2.518 883 1HB GLU 112 1HB GLU 112 7.903 10.883 0.441 884 2HB GLU 112 2HB GLU 112 9.573 11.145 0.208 885 1HG GLU 112 1HG GLU 112 8.518 9.223 2.273 886 2HG GLU 112 2HG GLU 112 9.014 8.786 0.646 887 H LYS 113 H LYS 113 6.740 13.300 1.183 888 HA LYS 113 HA LYS 113 8.124 15.149 -0.589 889 1HB LYS 113 1HB LYS 113 5.633 14.002 -0.634 890 2HB LYS 113 2HB LYS 113 5.225 15.536 0.118 891 1HG LYS 113 1HG LYS 113 4.918 15.597 -2.291 892 2HG LYS 113 2HG LYS 113 6.190 16.737 -1.839 893 1HD LYS 113 1HD LYS 113 7.922 15.170 -2.636 894 2HD LYS 113 2HD LYS 113 6.701 13.899 -2.858 895 1HE LYS 113 1HE LYS 113 5.641 15.205 -4.629 896 2HE LYS 113 2HE LYS 113 6.758 16.555 -4.353 897 1HZ LYS 113 1HZ LYS 113 7.332 15.056 -6.229 898 2HZ LYS 113 2HZ LYS 113 8.550 15.243 -5.147 899 3HZ LYS 113 3HZ LYS 113 7.646 13.855 -5.160 900 H LEU 114 H LEU 114 7.199 15.168 2.711 901 HA LEU 114 HA LEU 114 7.287 18.115 2.983 902 1HB LEU 114 1HB LEU 114 7.153 15.901 5.074 903 2HB LEU 114 2HB LEU 114 7.125 17.623 5.422 904 HG LEU 114 HG LEU 114 5.017 16.187 3.738 905 1HD1 LEU 114 1HD1 LEU 114 4.824 17.179 6.599 906 2HD1 LEU 114 2HD1 LEU 114 3.546 16.375 5.662 907 3HD1 LEU 114 3HD1 LEU 114 4.994 15.476 6.128 908 1HD2 LEU 114 1HD2 LEU 114 3.679 18.236 4.107 909 2HD2 LEU 114 2HD2 LEU 114 5.075 18.989 4.907 910 3HD2 LEU 114 3HD2 LEU 114 5.138 18.572 3.177 911 H ALA 115 H ALA 115 9.296 15.219 3.559 912 HA ALA 115 HA ALA 115 11.583 16.626 4.582 913 1HB ALA 115 1HB ALA 115 11.195 14.216 4.993 914 2HB ALA 115 2HB ALA 115 11.302 13.885 3.248 915 3HB ALA 115 3HB ALA 115 12.726 14.459 4.128 916 H GLN 116 H GLN 116 10.642 15.522 1.298 917 HA GLN 116 HA GLN 116 13.088 16.299 0.050 918 1HB GLN 116 1HB GLN 116 10.284 15.867 -0.981 919 2HB GLN 116 2HB GLN 116 11.507 16.544 -2.043 920 1HG GLN 116 1HG GLN 116 11.794 13.880 -0.601 921 2HG GLN 116 2HG GLN 116 11.235 14.108 -2.269 922 1HE2 GLN 116 1HE2 GLN 116 13.644 12.602 -1.206 923 2HE2 GLN 116 2HE2 GLN 116 14.954 13.318 -2.146 924 H ALA 117 H ALA 117 10.458 18.236 1.244 925 HA ALA 117 HA ALA 117 11.067 20.569 -0.374 926 1HB ALA 117 1HB ALA 117 9.738 20.410 2.346 927 2HB ALA 117 2HB ALA 117 9.817 21.841 1.302 928 3HB ALA 117 3HB ALA 117 8.938 20.400 0.760 929 H ARG 118 H ARG 118 12.786 19.065 2.340 930 HA ARG 118 HA ARG 118 14.379 21.481 2.822 931 1HB ARG 118 1HB ARG 118 13.968 19.004 4.279 932 2HB ARG 118 2HB ARG 118 15.621 18.989 3.745 933 1HG ARG 118 1HG ARG 118 16.059 20.163 5.591 934 2HG ARG 118 2HG ARG 118 15.534 21.561 4.673 935 1HD ARG 118 1HD ARG 118 13.856 19.856 6.559 936 2HD ARG 118 2HD ARG 118 14.450 21.485 6.877 937 HE ARG 118 HE ARG 118 12.946 22.396 5.335 938 1HH1 ARG 118 2HH2 ARG 118 12.337 18.870 5.803 939 2HH1 ARG 118 1HH2 ARG 118 10.791 18.941 5.039 940 1HH2 ARG 118 2HH1 ARG 118 10.894 22.362 4.251 941 2HH2 ARG 118 1HH1 ARG 118 9.887 20.962 4.360 942 H GLU 119 H GLU 119 14.735 18.180 1.534 943 HA GLU 119 HA GLU 119 17.357 18.318 0.653 944 1HB GLU 119 1HB GLU 119 15.136 16.766 -0.722 945 2HB GLU 119 2HB GLU 119 16.849 16.373 -0.714 946 1HG GLU 119 1HG GLU 119 14.972 16.259 1.685 947 2HG GLU 119 2HG GLU 119 15.560 14.898 0.757 948 H SER 120 H SER 120 14.438 19.434 -0.957 949 HA SER 120 HA SER 120 15.339 19.945 -3.520 950 1HB SER 120 1HB SER 120 13.010 20.092 -2.773 951 2HB SER 120 2HB SER 120 13.381 21.496 -1.760 952 HG SER 120 HG SER 120 13.932 21.534 -4.517 953 H ILE 121 H ILE 121 15.917 21.872 -0.559 954 HA ILE 121 HA ILE 121 16.941 24.185 -1.968 955 HB ILE 121 HB ILE 121 17.328 23.343 0.938 956 1HG1 ILE 121 1HG1 ILE 121 15.176 25.198 -0.181 957 2HG1 ILE 121 2HG1 ILE 121 14.885 23.521 0.269 958 1HG2 ILE 121 1HG2 ILE 121 17.786 25.729 1.348 959 2HG2 ILE 121 2HG2 ILE 121 18.903 25.106 0.143 960 3HG2 ILE 121 3HG2 ILE 121 17.523 26.091 -0.375 961 1HD1 ILE 121 1HD1 ILE 121 15.588 24.000 2.603 962 2HD1 ILE 121 2HD1 ILE 121 15.696 25.729 2.180 963 3HD1 ILE 121 3HD1 ILE 121 14.145 24.886 2.072 964 H ILE 122 H ILE 122 18.361 21.285 -0.377 965 HA ILE 122 HA ILE 122 21.084 22.085 -0.960 966 HB ILE 122 HB ILE 122 19.916 19.423 -0.042 967 1HG1 ILE 122 1HG1 ILE 122 21.243 20.155 2.104 968 2HG1 ILE 122 2HG1 ILE 122 21.118 21.784 1.455 969 1HG2 ILE 122 1HG2 ILE 122 22.060 19.022 -1.129 970 2HG2 ILE 122 2HG2 ILE 122 22.816 20.351 -0.226 971 3HG2 ILE 122 3HG2 ILE 122 22.268 18.883 0.610 972 1HD1 ILE 122 1HD1 ILE 122 18.676 21.670 1.650 973 2HD1 ILE 122 2HD1 ILE 122 18.751 19.932 2.029 974 3HD1 ILE 122 3HD1 ILE 122 19.391 21.131 3.167 975 H ALA 123 H ALA 123 18.594 20.252 -2.712 976 HA ALA 123 HA ALA 123 20.260 19.155 -4.726 977 1HB ALA 123 1HB ALA 123 18.163 19.011 -6.045 978 2HB ALA 123 2HB ALA 123 17.968 18.375 -4.398 979 3HB ALA 123 3HB ALA 123 17.330 19.979 -4.825 980 H ASP 124 H ASP 124 18.331 22.221 -4.631 981 HA ASP 124 HA ASP 124 19.361 23.323 -7.062 982 1HB ASP 124 1HB ASP 124 18.094 24.515 -4.577 983 2HB ASP 124 2HB ASP 124 18.787 25.550 -5.823 984 H ASN 125 H ASN 125 20.463 23.380 -3.751 985 HA ASN 125 HA ASN 125 22.280 23.655 -2.634 986 1HB ASN 125 1HB ASN 125 23.133 22.137 -4.634 987 2HB ASN 125 2HB ASN 125 24.153 23.515 -4.975 988 1HD2 ASN 125 1HD2 ASN 125 24.676 24.431 -2.234 989 2HD2 ASN 125 2HD2 ASN 125 25.606 23.130 -1.493 990 H ASN 126 H ASN 126 22.662 25.564 -5.585 991 HA ASN 126 HA ASN 126 23.091 27.995 -3.980 992 1HB ASN 126 1HB ASN 126 25.386 27.046 -4.478 993 2HB ASN 126 2HB ASN 126 25.021 27.182 -6.201 994 1HD2 ASN 126 1HD2 ASN 126 24.460 29.483 -3.407 995 2HD2 ASN 126 2HD2 ASN 126 25.345 30.771 -4.212 996 H ILE 127 H ILE 127 21.584 26.406 -6.524 997 HA ILE 127 HA ILE 127 20.448 26.836 -8.256 998 HB ILE 127 HB ILE 127 18.985 27.908 -6.740 999 1HG1 ILE 127 1HG1 ILE 127 17.527 29.047 -8.206 1000 2HG1 ILE 127 2HG1 ILE 127 18.817 29.531 -9.295 1001 1HG2 ILE 127 1HG2 ILE 127 20.326 30.540 -7.420 1002 2HG2 ILE 127 2HG2 ILE 127 18.735 30.403 -6.635 1003 3HG2 ILE 127 3HG2 ILE 127 20.164 29.776 -5.821 1004 1HD1 ILE 127 1HD1 ILE 127 17.989 26.640 -8.809 1005 2HD1 ILE 127 2HD1 ILE 127 17.399 27.653 -10.148 1006 3HD1 ILE 127 3HD1 ILE 127 19.108 27.224 -10.056 1007 H GLN 128 H GLN 128 23.138 27.203 -8.277 1008 HA GLN 128 HA GLN 128 23.556 28.644 -10.826 1009 1HB GLN 128 1HB GLN 128 24.620 29.940 -8.982 1010 2HB GLN 128 2HB GLN 128 25.465 28.481 -8.439 1011 1HG GLN 128 1HG GLN 128 26.782 28.398 -10.472 1012 2HG GLN 128 2HG GLN 128 25.819 29.684 -11.205 1013 1HE2 GLN 128 1HE2 GLN 128 26.801 29.973 -7.741 1014 2HE2 GLN 128 2HE2 GLN 128 27.999 31.212 -8.096 Start of MODEL 14 1 1H MET 1 H MET 1 -20.767 3.232 -3.303 2 HA MET 1 HA MET 1 -21.693 1.010 -2.845 3 1HB MET 1 1HB MET 1 -19.705 -0.251 -3.649 4 2HB MET 1 2HB MET 1 -18.787 0.358 -2.269 5 1HG MET 1 1HG MET 1 -19.638 -1.882 -1.777 6 2HG MET 1 2HG MET 1 -20.424 -0.714 -0.726 7 1HE MET 1 1HE MET 1 -22.278 -3.284 -4.067 8 2HE MET 1 2HE MET 1 -20.946 -2.168 -4.433 9 3HE MET 1 3HE MET 1 -20.708 -3.495 -3.272 10 H LYS 2 H LYS 2 -18.840 2.431 -0.994 11 HA LYS 2 HA LYS 2 -20.786 3.510 0.866 12 1HB LYS 2 1HB LYS 2 -20.445 1.163 1.694 13 2HB LYS 2 2HB LYS 2 -18.731 1.500 1.888 14 1HG LYS 2 1HG LYS 2 -19.683 1.755 4.040 15 2HG LYS 2 2HG LYS 2 -19.399 3.400 3.485 16 1HD LYS 2 1HD LYS 2 -21.828 3.533 2.803 17 2HD LYS 2 2HD LYS 2 -22.051 1.904 3.483 18 1HE LYS 2 1HE LYS 2 -21.246 2.768 5.689 19 2HE LYS 2 2HE LYS 2 -21.129 4.392 4.994 20 1HZ LYS 2 1HZ LYS 2 -23.546 4.293 4.581 21 2HZ LYS 2 2HZ LYS 2 -23.584 2.771 5.266 22 3HZ LYS 2 3HZ LYS 2 -23.208 4.045 6.174 23 H ALA 3 H ALA 3 -19.861 5.454 -0.105 24 HA ALA 3 HA ALA 3 -17.698 6.437 1.531 25 1HB ALA 3 1HB ALA 3 -16.284 5.432 -0.196 26 2HB ALA 3 2HB ALA 3 -17.267 6.152 -1.475 27 3HB ALA 3 3HB ALA 3 -16.295 7.188 -0.420 28 H LEU 4 H LEU 4 -17.417 8.691 1.287 29 HA LEU 4 HA LEU 4 -18.929 10.302 -0.487 30 1HB LEU 4 1HB LEU 4 -20.677 9.658 1.311 31 2HB LEU 4 2HB LEU 4 -19.745 10.598 2.449 32 HG LEU 4 HG LEU 4 -21.605 11.863 1.626 33 1HD1 LEU 4 1HD1 LEU 4 -19.163 13.054 0.255 34 2HD1 LEU 4 2HD1 LEU 4 -20.607 13.902 0.794 35 3HD1 LEU 4 3HD1 LEU 4 -19.530 13.177 1.997 36 1HD2 LEU 4 1HD2 LEU 4 -22.022 12.435 -0.684 37 2HD2 LEU 4 2HD2 LEU 4 -20.559 11.604 -1.217 38 3HD2 LEU 4 3HD2 LEU 4 -21.912 10.671 -0.543 39 H GLU 5 H GLU 5 -17.869 10.950 2.928 40 HA GLU 5 HA GLU 5 -15.334 12.118 1.848 41 1HB GLU 5 1HB GLU 5 -17.293 13.354 3.774 42 2HB GLU 5 2HB GLU 5 -15.570 13.726 3.824 43 1HG GLU 5 1HG GLU 5 -15.674 14.351 1.378 44 2HG GLU 5 2HG GLU 5 -17.438 14.251 1.491 45 H HIS 6 H HIS 6 -13.888 10.798 2.485 46 HA HIS 6 HA HIS 6 -13.327 10.489 5.292 47 1HB HIS 6 1HB HIS 6 -14.868 8.464 4.851 48 2HB HIS 6 2HB HIS 6 -13.561 7.833 3.838 49 HD1 HIS 6 HD1 HIS 6 -14.537 8.376 7.468 50 HD2 HIS 6 HD2 HIS 6 -11.094 7.368 5.203 51 HE1 HIS 6 HE1 HIS 6 -12.765 7.505 9.124 52 HE2 HIS 6 HE2 HIS 6 -10.694 6.928 7.772 53 H GLU 7 H GLU 7 -12.569 9.698 1.871 54 HA GLU 7 HA GLU 7 -9.971 8.760 2.234 55 1HB GLU 7 1HB GLU 7 -11.461 8.797 0.138 56 2HB GLU 7 2HB GLU 7 -10.966 10.469 -0.072 57 1HG GLU 7 1HG GLU 7 -9.606 9.125 -1.509 58 2HG GLU 7 2HG GLU 7 -8.560 9.683 -0.213 59 H LYS 8 H LYS 8 -11.160 12.079 2.519 60 HA LYS 8 HA LYS 8 -10.368 14.028 2.824 61 1HB LYS 8 1HB LYS 8 -8.303 12.426 4.338 62 2HB LYS 8 2HB LYS 8 -8.376 14.185 4.307 63 1HG LYS 8 1HG LYS 8 -10.839 12.610 5.055 64 2HG LYS 8 2HG LYS 8 -9.592 12.958 6.249 65 1HD LYS 8 1HD LYS 8 -9.877 15.319 6.048 66 2HD LYS 8 2HD LYS 8 -10.843 15.163 4.580 67 1HE LYS 8 1HE LYS 8 -12.518 13.823 6.070 68 2HE LYS 8 2HE LYS 8 -11.630 14.528 7.433 69 1HZ LYS 8 1HZ LYS 8 -13.103 15.978 5.309 70 2HZ LYS 8 2HZ LYS 8 -13.471 15.952 6.893 71 3HZ LYS 8 3HZ LYS 8 -12.130 16.739 6.375 72 H THR 9 H THR 9 -10.055 15.052 1.070 73 HA THR 9 HA THR 9 -9.450 15.541 -0.960 74 HB THR 9 HB THR 9 -7.281 16.316 -1.317 75 HG1 THR 9 1HG THR 9 -6.379 14.730 0.351 76 1HG2 THR 9 1HG2 THR 9 -8.380 17.144 1.434 77 2HG2 THR 9 2HG2 THR 9 -7.376 18.159 0.396 78 3HG2 THR 9 3HG2 THR 9 -9.006 17.728 -0.119 79 HA PRO 10 HA PRO 10 -8.583 11.172 -1.924 80 1HB PRO 10 1HB PRO 10 -10.297 10.954 -4.104 81 2HB PRO 10 2HB PRO 10 -10.818 10.758 -2.409 82 1HG PRO 10 1HG PRO 10 -10.992 13.244 -4.114 83 2HG PRO 10 2HG PRO 10 -12.253 12.516 -3.067 84 1HD PRO 10 1HD PRO 10 -10.778 14.579 -2.211 85 2HD PRO 10 2HD PRO 10 -11.169 13.236 -1.089 86 H GLU 11 H GLU 11 -8.242 14.117 -3.797 87 HA GLU 11 HA GLU 11 -6.925 12.583 -5.982 88 1HB GLU 11 1HB GLU 11 -7.514 15.540 -5.757 89 2HB GLU 11 2HB GLU 11 -6.660 14.703 -7.065 90 1HG GLU 11 1HG GLU 11 -8.826 13.157 -7.056 91 2HG GLU 11 2HG GLU 11 -9.572 14.617 -6.403 92 H LEU 12 H LEU 12 -6.131 14.431 -3.079 93 HA LEU 12 HA LEU 12 -3.314 14.797 -3.770 94 1HB LEU 12 1HB LEU 12 -4.602 16.002 -1.888 95 2HB LEU 12 2HB LEU 12 -4.551 14.496 -1.001 96 HG LEU 12 HG LEU 12 -2.888 15.867 -0.104 97 1HD1 LEU 12 1HD1 LEU 12 -0.845 14.685 -0.283 98 2HD1 LEU 12 2HD1 LEU 12 -2.124 13.486 -0.515 99 3HD1 LEU 12 3HD1 LEU 12 -1.200 14.115 -1.909 100 1HD2 LEU 12 1HD2 LEU 12 -1.048 16.924 -1.309 101 2HD2 LEU 12 2HD2 LEU 12 -1.694 16.345 -2.860 102 3HD2 LEU 12 3HD2 LEU 12 -2.602 17.520 -1.882 103 H ALA 13 H ALA 13 -5.411 12.410 -2.155 104 HA ALA 13 HA ALA 13 -3.273 10.695 -1.286 105 1HB ALA 13 1HB ALA 13 -5.072 9.114 -0.699 106 2HB ALA 13 2HB ALA 13 -5.522 10.752 -0.188 107 3HB ALA 13 3HB ALA 13 -6.242 10.047 -1.654 108 H ALA 14 H ALA 14 -5.348 10.743 -4.204 109 HA ALA 14 HA ALA 14 -4.217 8.338 -5.313 110 1HB ALA 14 1HB ALA 14 -5.278 9.073 -7.382 111 2HB ALA 14 2HB ALA 14 -6.391 9.286 -6.014 112 3HB ALA 14 3HB ALA 14 -5.551 10.696 -6.702 113 H LYS 15 H LYS 15 -3.369 11.864 -5.595 114 HA LYS 15 HA LYS 15 -1.325 11.468 -7.593 115 1HB LYS 15 1HB LYS 15 -2.088 13.614 -5.597 116 2HB LYS 15 2HB LYS 15 -0.499 13.699 -6.267 117 1HG LYS 15 1HG LYS 15 -3.051 13.564 -7.968 118 2HG LYS 15 2HG LYS 15 -2.201 15.047 -7.504 119 1HD LYS 15 1HD LYS 15 -0.127 14.052 -8.539 120 2HD LYS 15 2HD LYS 15 -1.162 12.834 -9.293 121 1HE LYS 15 1HE LYS 15 -2.293 14.462 -10.612 122 2HE LYS 15 2HE LYS 15 -1.652 15.813 -9.655 123 1HZ LYS 15 1HZ LYS 15 0.473 15.484 -10.534 124 2HZ LYS 15 2HZ LYS 15 0.126 14.013 -11.174 125 3HZ LYS 15 3HZ LYS 15 -0.488 15.408 -11.840 126 H LEU 16 H LEU 16 -1.326 11.501 -4.072 127 HA LEU 16 HA LEU 16 1.431 11.126 -3.618 128 1HB LEU 16 1HB LEU 16 -0.269 11.934 -2.012 129 2HB LEU 16 2HB LEU 16 -1.093 10.374 -2.080 130 HG LEU 16 HG LEU 16 0.895 9.307 -1.054 131 1HD1 LEU 16 1HD1 LEU 16 2.625 10.679 -0.099 132 2HD1 LEU 16 2HD1 LEU 16 2.596 10.964 -1.820 133 3HD1 LEU 16 3HD1 LEU 16 1.897 12.180 -0.726 134 1HD2 LEU 16 1HD2 LEU 16 0.391 10.181 1.185 135 2HD2 LEU 16 2HD2 LEU 16 -0.236 11.696 0.491 136 3HD2 LEU 16 3HD2 LEU 16 -1.095 10.167 0.237 137 H ALA 17 H ALA 17 -1.283 8.807 -4.102 138 HA ALA 17 HA ALA 17 0.173 6.450 -3.696 139 1HB ALA 17 1HB ALA 17 -2.010 6.703 -5.777 140 2HB ALA 17 2HB ALA 17 -1.562 5.296 -4.811 141 3HB ALA 17 3HB ALA 17 -2.353 6.693 -4.047 142 H ALA 18 H ALA 18 -0.044 8.576 -6.605 143 HA ALA 18 HA ALA 18 1.105 6.738 -8.441 144 1HB ALA 18 1HB ALA 18 -0.125 8.821 -9.074 145 2HB ALA 18 2HB ALA 18 1.281 9.775 -8.537 146 3HB ALA 18 3HB ALA 18 1.444 8.652 -9.882 147 H GLU 19 H GLU 19 2.650 9.269 -6.393 148 HA GLU 19 HA GLU 19 5.330 8.692 -7.298 149 1HB GLU 19 1HB GLU 19 4.086 10.168 -4.962 150 2HB GLU 19 2HB GLU 19 5.828 9.868 -4.978 151 1HG GLU 19 1HG GLU 19 4.427 11.159 -7.352 152 2HG GLU 19 2HG GLU 19 5.001 12.092 -5.967 153 H ALA 20 H ALA 20 3.291 7.357 -4.718 154 HA ALA 20 HA ALA 20 5.328 5.708 -3.549 155 1HB ALA 20 1HB ALA 20 3.476 4.523 -2.501 156 2HB ALA 20 2HB ALA 20 3.137 6.268 -2.470 157 3HB ALA 20 3HB ALA 20 2.313 5.213 -3.635 158 H ILE 21 H ILE 21 2.971 5.132 -6.166 159 HA ILE 21 HA ILE 21 3.549 2.389 -6.597 160 HB ILE 21 HB ILE 21 2.310 4.716 -8.120 161 1HG1 ILE 21 1HG1 ILE 21 1.082 2.028 -7.500 162 2HG1 ILE 21 2HG1 ILE 21 1.133 3.333 -6.322 163 1HG2 ILE 21 1HG2 ILE 21 1.643 3.363 -10.060 164 2HG2 ILE 21 2HG2 ILE 21 3.374 3.638 -9.987 165 3HG2 ILE 21 3HG2 ILE 21 2.716 2.071 -9.503 166 1HD1 ILE 21 1HD1 ILE 21 -0.338 3.331 -8.982 167 2HD1 ILE 21 2HD1 ILE 21 -1.007 3.427 -7.347 168 3HD1 ILE 21 3HD1 ILE 21 -0.098 4.795 -7.998 169 H GLU 22 H GLU 22 5.107 5.329 -7.887 170 HA GLU 22 HA GLU 22 6.742 3.911 -9.769 171 1HB GLU 22 1HB GLU 22 6.247 6.293 -9.893 172 2HB GLU 22 2HB GLU 22 7.119 6.599 -8.387 173 1HG GLU 22 1HG GLU 22 9.241 5.967 -9.406 174 2HG GLU 22 2HG GLU 22 8.417 5.421 -10.878 175 H ARG 23 H ARG 23 6.865 4.146 -6.295 176 HA ARG 23 HA ARG 23 9.688 3.252 -6.210 177 1HB ARG 23 1HB ARG 23 8.552 5.148 -4.695 178 2HB ARG 23 2HB ARG 23 8.035 3.777 -3.723 179 1HG ARG 23 1HG ARG 23 10.350 3.056 -3.427 180 2HG ARG 23 2HG ARG 23 10.897 4.194 -4.664 181 1HD ARG 23 1HD ARG 23 9.897 6.045 -3.073 182 2HD ARG 23 2HD ARG 23 10.008 4.788 -1.840 183 HE ARG 23 HE ARG 23 12.316 4.801 -1.983 184 1HH1 ARG 23 2HH2 ARG 23 10.988 7.099 -4.397 185 2HH1 ARG 23 1HH2 ARG 23 12.546 7.627 -4.935 186 1HH2 ARG 23 2HH1 ARG 23 14.309 5.315 -2.845 187 2HH2 ARG 23 1HH1 ARG 23 14.511 6.475 -4.127 188 H ASP 24 H ASP 24 6.414 2.267 -5.161 189 HA ASP 24 HA ASP 24 7.393 -0.305 -4.147 190 1HB ASP 24 1HB ASP 24 5.792 1.216 -2.852 191 2HB ASP 24 2HB ASP 24 4.592 0.868 -4.021 192 HA PRO 25 HA PRO 25 5.835 -1.656 -8.219 193 1HB PRO 25 1HB PRO 25 6.818 -4.208 -8.227 194 2HB PRO 25 2HB PRO 25 7.749 -2.752 -8.686 195 1HG PRO 25 1HG PRO 25 7.766 -4.191 -6.030 196 2HG PRO 25 2HG PRO 25 9.164 -3.597 -6.976 197 1HD PRO 25 1HD PRO 25 8.116 -2.173 -4.898 198 2HD PRO 25 2HD PRO 25 8.760 -1.361 -6.360 199 H TRP 26 H TRP 26 5.370 -3.139 -4.964 200 HA TRP 26 HA TRP 26 3.168 -4.753 -5.834 201 1HB TRP 26 1HB TRP 26 4.246 -5.094 -3.636 202 2HB TRP 26 2HB TRP 26 3.682 -3.526 -3.108 203 HD1 TRP 26 HD TRP 26 1.959 -3.972 -1.393 204 HE1 TRP 26 1HE TRP 26 -0.262 -5.220 -1.190 205 HE3 TRP 26 3HE TRP 26 2.218 -6.639 -5.738 206 HZ2 TRP 26 2HZ TRP 26 -1.701 -7.270 -2.773 207 HZ3 TRP 26 3HZ TRP 26 0.539 -8.324 -6.289 208 HH2 TRP 26 HH TRP 26 -1.436 -8.644 -4.825 209 H ALA 27 H ALA 27 3.304 -1.351 -4.563 210 HA ALA 27 HA ALA 27 0.500 -0.921 -4.677 211 1HB ALA 27 1HB ALA 27 2.696 1.106 -5.224 212 2HB ALA 27 2HB ALA 27 1.028 1.465 -4.750 213 3HB ALA 27 3HB ALA 27 2.136 0.668 -3.614 214 H ALA 28 H ALA 28 3.016 -0.695 -7.211 215 HA ALA 28 HA ALA 28 1.326 0.302 -9.298 216 1HB ALA 28 1HB ALA 28 3.752 -1.550 -9.599 217 2HB ALA 28 2HB ALA 28 3.086 -0.427 -10.790 218 3HB ALA 28 3HB ALA 28 3.886 0.190 -9.332 219 H GLN 29 H GLN 29 2.304 -3.006 -8.370 220 HA GLN 29 HA GLN 29 0.842 -4.420 -10.361 221 1HB GLN 29 1HB GLN 29 1.871 -5.171 -7.611 222 2HB GLN 29 2HB GLN 29 0.961 -6.309 -8.585 223 1HG GLN 29 1HG GLN 29 2.620 -6.142 -10.409 224 2HG GLN 29 2HG GLN 29 3.540 -4.962 -9.514 225 1HE2 GLN 29 1HE2 GLN 29 5.391 -6.594 -9.763 226 2HE2 GLN 29 2HE2 GLN 29 5.422 -7.975 -8.695 227 H VAL 30 H VAL 30 -0.122 -3.510 -7.023 228 HA VAL 30 HA VAL 30 -2.721 -4.580 -7.064 229 HB VAL 30 HB VAL 30 -1.368 -2.245 -5.631 230 1HG1 VAL 30 1HG1 VAL 30 -3.245 -2.138 -4.007 231 2HG1 VAL 30 2HG1 VAL 30 -3.675 -1.511 -5.599 232 3HG1 VAL 30 3HG1 VAL 30 -4.224 -3.126 -5.112 233 1HG2 VAL 30 1HG2 VAL 30 -2.408 -4.940 -4.718 234 2HG2 VAL 30 2HG2 VAL 30 -0.729 -4.556 -5.090 235 3HG2 VAL 30 3HG2 VAL 30 -1.503 -3.756 -3.716 236 H SER 31 H SER 31 -1.544 -1.445 -8.192 237 HA SER 31 HA SER 31 -4.165 -0.458 -8.824 238 1HB SER 31 1HB SER 31 -1.367 0.326 -9.730 239 2HB SER 31 2HB SER 31 -2.832 1.307 -9.953 240 HG SER 31 HG SER 31 -1.411 0.624 -7.631 241 H GLN 32 H GLN 32 -1.858 -2.577 -10.494 242 HA GLN 32 HA GLN 32 -3.284 -2.382 -13.047 243 1HB GLN 32 1HB GLN 32 -0.916 -2.783 -13.062 244 2HB GLN 32 2HB GLN 32 -1.064 -4.234 -12.071 245 1HG GLN 32 1HG GLN 32 -2.013 -5.498 -13.786 246 2HG GLN 32 2HG GLN 32 -2.603 -4.084 -14.649 247 1HE2 GLN 32 1HE2 GLN 32 0.888 -4.379 -13.568 248 2HE2 GLN 32 2HE2 GLN 32 1.443 -4.521 -15.221 249 H LEU 33 H LEU 33 -3.280 -4.489 -10.159 250 HA LEU 33 HA LEU 33 -5.133 -6.430 -11.217 251 1HB LEU 33 1HB LEU 33 -4.769 -5.581 -8.313 252 2HB LEU 33 2HB LEU 33 -5.585 -7.017 -8.903 253 HG LEU 33 HG LEU 33 -2.635 -6.455 -8.758 254 1HD1 LEU 33 1HD1 LEU 33 -4.294 -8.808 -7.838 255 2HD1 LEU 33 2HD1 LEU 33 -2.553 -8.571 -7.602 256 3HD1 LEU 33 3HD1 LEU 33 -3.693 -7.477 -6.825 257 1HD2 LEU 33 1HD2 LEU 33 -2.297 -8.616 -10.004 258 2HD2 LEU 33 2HD2 LEU 33 -3.991 -8.498 -10.537 259 3HD2 LEU 33 3HD2 LEU 33 -2.822 -7.245 -10.990 260 H SER 34 H SER 34 -5.458 -3.291 -9.763 261 HA SER 34 HA SER 34 -7.220 -1.904 -9.279 262 1HB SER 34 1HB SER 34 -8.258 -3.239 -11.800 263 2HB SER 34 2HB SER 34 -9.044 -1.855 -11.024 264 HG SER 34 HG SER 34 -6.298 -1.793 -11.754 265 H LEU 35 H LEU 35 -7.174 -3.854 -7.493 266 HA LEU 35 HA LEU 35 -9.354 -5.584 -7.287 267 1HB LEU 35 1HB LEU 35 -7.955 -4.087 -5.020 268 2HB LEU 35 2HB LEU 35 -9.103 -5.373 -4.799 269 HG LEU 35 HG LEU 35 -7.229 -6.529 -4.446 270 1HD1 LEU 35 1HD1 LEU 35 -7.384 -6.828 -7.468 271 2HD1 LEU 35 2HD1 LEU 35 -6.624 -7.954 -6.329 272 3HD1 LEU 35 3HD1 LEU 35 -8.374 -7.697 -6.276 273 1HD2 LEU 35 1HD2 LEU 35 -5.783 -4.840 -6.500 274 2HD2 LEU 35 2HD2 LEU 35 -5.691 -4.750 -4.731 275 3HD2 LEU 35 3HD2 LEU 35 -5.062 -6.172 -5.558 276 HA PRO 36 HA PRO 36 -12.816 -2.994 -6.850 277 1HB PRO 36 1HB PRO 36 -14.624 -4.524 -5.443 278 2HB PRO 36 2HB PRO 36 -14.131 -4.818 -7.123 279 1HG PRO 36 1HG PRO 36 -13.007 -6.145 -4.634 280 2HG PRO 36 2HG PRO 36 -13.566 -6.924 -6.146 281 1HD PRO 36 1HD PRO 36 -10.951 -6.417 -5.726 282 2HD PRO 36 2HD PRO 36 -11.664 -6.153 -7.339 283 H LYS 37 H LYS 37 -13.186 -4.444 -3.555 284 HA LYS 37 HA LYS 37 -12.142 -1.956 -2.362 285 1HB LYS 37 1HB LYS 37 -14.875 -2.215 -2.978 286 2HB LYS 37 2HB LYS 37 -14.816 -2.641 -1.279 287 1HG LYS 37 1HG LYS 37 -13.429 -0.191 -2.429 288 2HG LYS 37 2HG LYS 37 -15.091 -0.174 -1.828 289 1HD LYS 37 1HD LYS 37 -14.354 -0.857 0.403 290 2HD LYS 37 2HD LYS 37 -12.671 -0.991 -0.157 291 1HE LYS 37 1HE LYS 37 -12.574 1.379 -0.670 292 2HE LYS 37 2HE LYS 37 -14.290 1.579 -0.245 293 1HZ LYS 37 1HZ LYS 37 -12.740 2.199 1.538 294 2HZ LYS 37 2HZ LYS 37 -13.802 1.024 1.989 295 3HZ LYS 37 3HZ LYS 37 -12.205 0.668 1.618 296 H LEU 38 H LEU 38 -14.045 -4.811 -1.518 297 HA LEU 38 HA LEU 38 -13.005 -5.246 1.081 298 1HB LEU 38 1HB LEU 38 -15.011 -6.322 0.008 299 2HB LEU 38 2HB LEU 38 -13.951 -7.320 -0.964 300 HG LEU 38 HG LEU 38 -14.953 -8.495 0.917 301 1HD1 LEU 38 1HD1 LEU 38 -12.689 -9.171 0.046 302 2HD1 LEU 38 2HD1 LEU 38 -11.976 -8.359 1.469 303 3HD1 LEU 38 3HD1 LEU 38 -13.095 -9.705 1.679 304 1HD2 LEU 38 1HD2 LEU 38 -14.392 -8.054 3.232 305 2HD2 LEU 38 2HD2 LEU 38 -13.344 -6.702 2.772 306 3HD2 LEU 38 3HD2 LEU 38 -15.101 -6.606 2.509 307 H VAL 39 H VAL 39 -12.013 -6.690 -2.009 308 HA VAL 39 HA VAL 39 -9.638 -7.914 -0.930 309 HB VAL 39 HB VAL 39 -10.080 -7.324 -3.876 310 1HG1 VAL 39 1HG1 VAL 39 -8.880 -9.729 -2.436 311 2HG1 VAL 39 2HG1 VAL 39 -8.977 -9.507 -4.193 312 3HG1 VAL 39 3HG1 VAL 39 -7.960 -8.439 -3.221 313 1HG2 VAL 39 1HG2 VAL 39 -11.367 -9.472 -4.040 314 2HG2 VAL 39 2HG2 VAL 39 -11.491 -9.490 -2.270 315 3HG2 VAL 39 3HG2 VAL 39 -12.250 -8.198 -3.221 316 H GLU 40 H GLU 40 -10.302 -4.681 -2.113 317 HA GLU 40 HA GLU 40 -7.554 -3.923 -2.728 318 1HB GLU 40 1HB GLU 40 -9.478 -2.657 -3.646 319 2HB GLU 40 2HB GLU 40 -10.023 -2.294 -2.025 320 1HG GLU 40 1HG GLU 40 -7.390 -1.324 -2.028 321 2HG GLU 40 2HG GLU 40 -7.965 -0.977 -3.639 322 H GLN 41 H GLN 41 -9.773 -3.667 0.097 323 HA GLN 41 HA GLN 41 -8.053 -2.311 1.807 324 1HB GLN 41 1HB GLN 41 -10.559 -2.966 1.974 325 2HB GLN 41 2HB GLN 41 -10.013 -4.458 2.731 326 1HG GLN 41 1HG GLN 41 -9.066 -3.270 4.597 327 2HG GLN 41 2HG GLN 41 -9.142 -1.722 3.747 328 1HE2 GLN 41 1HE2 GLN 41 -11.521 -1.225 2.890 329 2HE2 GLN 41 2HE2 GLN 41 -12.758 -1.418 4.165 330 H VAL 42 H VAL 42 -8.276 -5.803 1.123 331 HA VAL 42 HA VAL 42 -6.312 -6.637 3.047 332 HB VAL 42 HB VAL 42 -7.461 -7.841 0.501 333 1HG1 VAL 42 1HG1 VAL 42 -5.216 -8.783 0.622 334 2HG1 VAL 42 2HG1 VAL 42 -5.400 -9.083 2.351 335 3HG1 VAL 42 3HG1 VAL 42 -6.387 -9.990 1.179 336 1HG2 VAL 42 1HG2 VAL 42 -7.694 -8.437 3.477 337 2HG2 VAL 42 2HG2 VAL 42 -8.923 -7.642 2.467 338 3HG2 VAL 42 3HG2 VAL 42 -8.509 -9.341 2.186 339 H ALA 43 H ALA 43 -6.013 -5.980 -0.508 340 HA ALA 43 HA ALA 43 -3.231 -6.431 -0.594 341 1HB ALA 43 1HB ALA 43 -3.318 -5.204 -2.710 342 2HB ALA 43 2HB ALA 43 -4.697 -6.316 -2.584 343 3HB ALA 43 3HB ALA 43 -4.925 -4.568 -2.312 344 H LEU 44 H LEU 44 -5.024 -3.546 0.318 345 HA LEU 44 HA LEU 44 -2.771 -1.735 0.435 346 1HB LEU 44 1HB LEU 44 -5.621 -1.662 1.458 347 2HB LEU 44 2HB LEU 44 -4.483 -0.400 1.867 348 HG LEU 44 HG LEU 44 -5.278 -1.129 -0.977 349 1HD1 LEU 44 1HD1 LEU 44 -6.056 1.242 0.789 350 2HD1 LEU 44 2HD1 LEU 44 -6.531 0.993 -0.903 351 3HD1 LEU 44 3HD1 LEU 44 -7.112 -0.118 0.342 352 1HD2 LEU 44 1HD2 LEU 44 -3.048 -0.141 -1.025 353 2HD2 LEU 44 2HD2 LEU 44 -4.206 1.041 -1.587 354 3HD2 LEU 44 3HD2 LEU 44 -3.556 1.171 0.060 355 H ASN 45 H ASN 45 -4.232 -4.043 2.766 356 HA ASN 45 HA ASN 45 -2.580 -2.767 4.898 357 1HB ASN 45 1HB ASN 45 -4.943 -4.648 5.003 358 2HB ASN 45 2HB ASN 45 -3.894 -4.353 6.388 359 1HD2 ASN 45 1HD2 ASN 45 -6.345 -2.941 4.383 360 2HD2 ASN 45 2HD2 ASN 45 -6.543 -1.443 5.296 361 H ALA 46 H ALA 46 -1.704 -4.778 2.537 362 HA ALA 46 HA ALA 46 0.012 -6.293 4.388 363 1HB ALA 46 1HB ALA 46 -1.601 -7.908 3.420 364 2HB ALA 46 2HB ALA 46 -1.308 -7.256 1.808 365 3HB ALA 46 3HB ALA 46 -0.015 -8.128 2.671 366 H TRP 47 H TRP 47 2.034 -6.773 3.590 367 HA TRP 47 HA TRP 47 2.990 -5.040 1.346 368 1HB TRP 47 1HB TRP 47 5.202 -5.128 2.304 369 2HB TRP 47 2HB TRP 47 4.075 -4.336 3.381 370 HD1 TRP 47 HD TRP 47 3.541 -5.473 5.688 371 HE1 TRP 47 1HE TRP 47 4.895 -7.101 7.142 372 HE3 TRP 47 3HE TRP 47 6.614 -7.482 2.095 373 HZ2 TRP 47 2HZ TRP 47 7.260 -8.786 6.851 374 HZ3 TRP 47 3HZ TRP 47 8.347 -9.152 2.746 375 HH2 TRP 47 HH TRP 47 8.697 -9.745 5.084 376 H LYS 48 H LYS 48 4.160 -6.131 -0.233 377 HA LYS 48 HA LYS 48 3.507 -9.013 -0.284 378 1HB LYS 48 1HB LYS 48 2.525 -7.609 -1.976 379 2HB LYS 48 2HB LYS 48 4.042 -6.954 -2.443 380 1HG LYS 48 1HG LYS 48 3.802 -9.908 -2.539 381 2HG LYS 48 2HG LYS 48 2.788 -9.035 -3.685 382 1HD LYS 48 1HD LYS 48 5.818 -8.659 -3.510 383 2HD LYS 48 2HD LYS 48 5.003 -9.759 -4.629 384 1HE LYS 48 1HE LYS 48 3.801 -7.969 -5.686 385 2HE LYS 48 2HE LYS 48 4.418 -6.788 -4.521 386 1HZ LYS 48 1HZ LYS 48 6.049 -8.276 -6.477 387 2HZ LYS 48 2HZ LYS 48 5.627 -6.725 -6.620 388 3HZ LYS 48 3HZ LYS 48 6.647 -7.179 -5.414 389 H GLU 49 H GLU 49 4.951 -10.478 0.042 390 HA GLU 49 HA GLU 49 7.821 -9.923 -0.404 391 1HB GLU 49 1HB GLU 49 7.118 -10.889 1.812 392 2HB GLU 49 2HB GLU 49 6.339 -12.226 0.970 393 1HG GLU 49 1HG GLU 49 8.493 -12.898 1.836 394 2HG GLU 49 2HG GLU 49 8.486 -13.001 0.087 395 H GLU 50 H GLU 50 8.855 -11.458 -1.960 396 HA GLU 50 HA GLU 50 7.038 -13.198 -3.524 397 1HB GLU 50 1HB GLU 50 6.743 -11.168 -4.690 398 2HB GLU 50 2HB GLU 50 8.429 -10.739 -4.599 399 1HG GLU 50 1HG GLU 50 8.157 -13.285 -6.028 400 2HG GLU 50 2HG GLU 50 7.041 -12.104 -6.694 401 H SER 51 H SER 51 8.060 -15.023 -4.103 402 HA SER 51 HA SER 51 11.007 -15.212 -3.864 403 1HB SER 51 1HB SER 51 8.920 -17.322 -3.152 404 2HB SER 51 2HB SER 51 10.679 -17.525 -3.071 405 HG SER 51 HG SER 51 9.441 -15.429 -1.664 406 H ASP 52 H ASP 52 11.592 -17.294 -5.152 407 HA ASP 52 HA ASP 52 11.580 -16.938 -7.751 408 1HB ASP 52 1HB ASP 52 11.429 -19.616 -6.328 409 2HB ASP 52 2HB ASP 52 11.986 -19.393 -7.980 410 H ASN 53 H ASN 53 9.056 -18.812 -6.118 411 HA ASN 53 HA ASN 53 7.425 -18.942 -8.604 412 1HB ASN 53 1HB ASN 53 6.766 -21.156 -7.890 413 2HB ASN 53 2HB ASN 53 8.518 -21.045 -8.051 414 1HD2 ASN 53 1HD2 ASN 53 7.689 -23.197 -6.630 415 2HD2 ASN 53 2HD2 ASN 53 7.951 -22.931 -4.916 416 H ALA 54 H ALA 54 7.308 -17.437 -5.536 417 HA ALA 54 HA ALA 54 4.357 -17.753 -5.436 418 1HB ALA 54 1HB ALA 54 5.425 -19.435 -3.869 419 2HB ALA 54 2HB ALA 54 6.243 -18.088 -3.043 420 3HB ALA 54 3HB ALA 54 4.482 -18.204 -3.001 421 H VAL 55 H VAL 55 3.376 -16.227 -3.912 422 HA VAL 55 HA VAL 55 4.940 -13.783 -3.371 423 HB VAL 55 HB VAL 55 2.341 -13.893 -4.969 424 1HG1 VAL 55 1HG1 VAL 55 2.541 -11.384 -4.978 425 2HG1 VAL 55 2HG1 VAL 55 2.195 -12.033 -3.359 426 3HG1 VAL 55 3HG1 VAL 55 3.856 -11.567 -3.801 427 1HG2 VAL 55 1HG2 VAL 55 3.681 -12.622 -6.647 428 2HG2 VAL 55 2HG2 VAL 55 5.088 -12.675 -5.571 429 3HG2 VAL 55 3HG2 VAL 55 4.482 -14.157 -6.295 430 H CYS 56 H CYS 56 4.651 -13.320 -1.290 431 HA CYS 56 HA CYS 56 2.282 -14.502 0.117 432 1HB CYS 56 1HB CYS 56 5.148 -14.382 1.081 433 2HB CYS 56 2HB CYS 56 3.758 -14.917 2.045 434 HG CYS 56 HG CYS 56 5.235 -16.950 1.027 435 H LEU 57 H LEU 57 0.955 -12.996 0.723 436 HA LEU 57 HA LEU 57 1.876 -10.220 1.074 437 1HB LEU 57 1HB LEU 57 -0.818 -11.571 0.791 438 2HB LEU 57 2HB LEU 57 -0.740 -9.970 1.518 439 HG LEU 57 HG LEU 57 0.491 -10.636 -1.186 440 1HD1 LEU 57 1HD1 LEU 57 -2.063 -9.055 -0.727 441 2HD1 LEU 57 2HD1 LEU 57 -1.353 -9.629 -2.259 442 3HD1 LEU 57 3HD1 LEU 57 -2.050 -10.785 -1.107 443 1HD2 LEU 57 1HD2 LEU 57 1.395 -8.552 -0.011 444 2HD2 LEU 57 2HD2 LEU 57 0.584 -8.284 -1.543 445 3HD2 LEU 57 3HD2 LEU 57 -0.238 -7.896 -0.034 446 H HIS 58 H HIS 58 2.802 -9.819 2.899 447 HA HIS 58 HA HIS 58 2.068 -11.108 5.457 448 1HB HIS 58 1HB HIS 58 4.033 -9.003 4.524 449 2HB HIS 58 2HB HIS 58 3.765 -9.315 6.220 450 HD1 HIS 58 HD1 HIS 58 5.641 -10.811 7.218 451 HD2 HIS 58 HD2 HIS 58 4.917 -11.375 3.079 452 HE1 HIS 58 HE1 HIS 58 7.390 -12.458 6.356 453 HE2 HIS 58 HE2 HIS 58 7.002 -12.834 3.944 454 H LEU 59 H LEU 59 -0.028 -10.494 5.952 455 HA LEU 59 HA LEU 59 -0.958 -7.731 5.504 456 1HB LEU 59 1HB LEU 59 -2.384 -9.736 4.934 457 2HB LEU 59 2HB LEU 59 -2.420 -10.133 6.645 458 HG LEU 59 HG LEU 59 -3.200 -7.374 6.538 459 1HD1 LEU 59 1HD1 LEU 59 -4.676 -8.991 4.437 460 2HD1 LEU 59 2HD1 LEU 59 -5.135 -7.385 5.035 461 3HD1 LEU 59 3HD1 LEU 59 -3.644 -7.577 4.115 462 1HD2 LEU 59 1HD2 LEU 59 -5.405 -8.276 7.224 463 2HD2 LEU 59 2HD2 LEU 59 -4.845 -9.890 6.730 464 3HD2 LEU 59 3HD2 LEU 59 -4.061 -9.063 8.090 465 H ARG 60 H ARG 60 -1.064 -6.262 7.016 466 HA ARG 60 HA ARG 60 0.030 -6.511 9.627 467 1HB ARG 60 1HB ARG 60 -1.922 -4.515 8.407 468 2HB ARG 60 2HB ARG 60 -1.159 -4.312 9.979 469 1HG ARG 60 1HG ARG 60 0.444 -4.611 7.398 470 2HG ARG 60 2HG ARG 60 -0.090 -3.058 8.042 471 1HD ARG 60 1HD ARG 60 1.117 -3.508 10.163 472 2HD ARG 60 2HD ARG 60 1.662 -5.056 9.539 473 HE ARG 60 HE ARG 60 3.164 -4.017 8.119 474 1HH1 ARG 60 2HH2 ARG 60 1.221 -1.519 9.830 475 2HH1 ARG 60 1HH2 ARG 60 2.454 -0.311 9.621 476 1HH2 ARG 60 2HH1 ARG 60 4.635 -2.178 7.625 477 2HH2 ARG 60 1HH1 ARG 60 4.184 -0.639 8.319 478 H SER 61 H SER 61 -0.805 -7.797 11.247 479 HA SER 61 HA SER 61 -3.312 -8.717 11.500 480 1HB SER 61 1HB SER 61 -1.357 -7.942 13.689 481 2HB SER 61 2HB SER 61 -2.696 -9.101 13.850 482 HG SER 61 HG SER 61 -0.780 -10.158 13.402 483 H SER 62 H SER 62 -2.258 -5.543 11.951 484 HA SER 62 HA SER 62 -4.105 -4.385 13.739 485 1HB SER 62 1HB SER 62 -3.249 -2.927 11.260 486 2HB SER 62 2HB SER 62 -3.336 -2.348 12.924 487 HG SER 62 HG SER 62 -1.211 -2.667 12.724 488 H GLN 63 H GLN 63 -4.528 -5.642 10.551 489 HA GLN 63 HA GLN 63 -7.426 -4.974 10.618 490 1HB GLN 63 1HB GLN 63 -5.578 -4.640 8.220 491 2HB GLN 63 2HB GLN 63 -7.332 -4.678 8.093 492 1HG GLN 63 1HG GLN 63 -5.721 -2.591 9.595 493 2HG GLN 63 2HG GLN 63 -6.564 -2.387 8.063 494 1HE2 GLN 63 1HE2 GLN 63 -6.850 -1.776 11.286 495 2HE2 GLN 63 2HE2 GLN 63 -8.565 -1.692 11.466 496 H ARG 64 H ARG 64 -5.808 -7.466 11.351 497 HA ARG 64 HA ARG 64 -6.034 -9.394 9.294 498 1HB ARG 64 1HB ARG 64 -6.040 -11.107 11.021 499 2HB ARG 64 2HB ARG 64 -4.785 -9.951 11.235 500 1HG ARG 64 1HG ARG 64 -5.451 -9.979 13.418 501 2HG ARG 64 2HG ARG 64 -6.723 -8.875 12.889 502 1HD ARG 64 1HD ARG 64 -8.125 -10.985 12.384 503 2HD ARG 64 2HD ARG 64 -6.874 -11.891 13.254 504 HE ARG 64 HE ARG 64 -7.449 -9.880 14.981 505 1HH1 ARG 64 2HH2 ARG 64 -9.417 -12.403 13.384 506 2HH1 ARG 64 1HH2 ARG 64 -10.557 -12.504 14.676 507 1HH2 ARG 64 2HH1 ARG 64 -9.173 -9.789 16.500 508 2HH2 ARG 64 1HH1 ARG 64 -10.365 -11.051 16.559 509 H HIS 65 H HIS 65 -8.617 -8.030 11.214 510 HA HIS 65 HA HIS 65 -10.562 -10.065 10.947 511 1HB HIS 65 1HB HIS 65 -10.870 -8.039 12.299 512 2HB HIS 65 2HB HIS 65 -10.833 -7.028 10.844 513 HD1 HIS 65 HD1 HIS 65 -13.248 -6.425 9.995 514 HD2 HIS 65 HD2 HIS 65 -12.971 -10.024 12.222 515 HE1 HIS 65 HE1 HIS 65 -15.595 -7.410 10.103 516 HE2 HIS 65 HE2 HIS 65 -15.418 -9.604 11.477 517 H LEU 66 H LEU 66 -9.137 -7.985 8.435 518 HA LEU 66 HA LEU 66 -11.330 -8.529 6.557 519 1HB LEU 66 1HB LEU 66 -8.740 -6.928 6.389 520 2HB LEU 66 2HB LEU 66 -9.648 -7.346 4.957 521 HG LEU 66 HG LEU 66 -10.222 -5.127 5.570 522 1HD1 LEU 66 1HD1 LEU 66 -12.579 -5.253 5.472 523 2HD1 LEU 66 2HD1 LEU 66 -11.986 -6.706 4.667 524 3HD1 LEU 66 3HD1 LEU 66 -12.642 -6.807 6.315 525 1HD2 LEU 66 1HD2 LEU 66 -11.262 -6.129 8.251 526 2HD2 LEU 66 2HD2 LEU 66 -9.693 -5.320 8.019 527 3HD2 LEU 66 3HD2 LEU 66 -11.195 -4.466 7.664 528 H ASN 67 H ASN 67 -8.589 -10.266 7.644 529 HA ASN 67 HA ASN 67 -7.895 -11.335 5.067 530 1HB ASN 67 1HB ASN 67 -6.261 -11.339 6.966 531 2HB ASN 67 2HB ASN 67 -7.250 -12.500 7.813 532 1HD2 ASN 67 1HD2 ASN 67 -4.760 -13.533 7.508 533 2HD2 ASN 67 2HD2 ASN 67 -4.748 -14.644 6.187 534 H ASN 68 H ASN 68 -9.251 -12.490 3.911 535 HA ASN 68 HA ASN 68 -10.639 -14.723 5.160 536 1HB ASN 68 1HB ASN 68 -12.746 -14.308 4.194 537 2HB ASN 68 2HB ASN 68 -12.304 -12.841 5.050 538 1HD2 ASN 68 1HD2 ASN 68 -13.615 -13.904 2.263 539 2HD2 ASN 68 2HD2 ASN 68 -13.410 -12.452 1.301 540 H ARG 69 H ARG 69 -10.975 -16.475 3.718 541 HA ARG 69 HA ARG 69 -9.017 -16.675 1.673 542 1HB ARG 69 1HB ARG 69 -10.248 -18.487 3.042 543 2HB ARG 69 2HB ARG 69 -11.496 -18.437 1.801 544 1HG ARG 69 1HG ARG 69 -9.945 -19.085 0.059 545 2HG ARG 69 2HG ARG 69 -8.539 -18.808 1.100 546 1HD ARG 69 1HD ARG 69 -10.635 -20.960 1.517 547 2HD ARG 69 2HD ARG 69 -9.013 -21.205 0.847 548 HE ARG 69 HE ARG 69 -8.809 -19.879 3.368 549 1HH1 ARG 69 2HH2 ARG 69 -9.514 -23.105 2.121 550 2HH1 ARG 69 1HH2 ARG 69 -9.169 -23.907 3.632 551 1HH2 ARG 69 2HH1 ARG 69 -8.421 -20.821 5.259 552 2HH2 ARG 69 1HH1 ARG 69 -8.581 -22.534 5.536 553 H GLY 70 H GLY 70 -12.436 -15.758 1.490 554 1HA GLY 70 1HA GLY 70 -12.831 -15.824 -1.294 555 2HA GLY 70 2HA GLY 70 -13.571 -14.659 -0.182 556 H ALA 71 H ALA 71 -11.225 -13.240 0.719 557 HA ALA 71 HA ALA 71 -10.763 -11.507 -1.536 558 1HB ALA 71 1HB ALA 71 -9.005 -10.482 -0.067 559 2HB ALA 71 2HB ALA 71 -10.593 -10.565 0.704 560 3HB ALA 71 3HB ALA 71 -9.323 -11.725 1.154 561 H GLN 72 H GLN 72 -8.834 -14.066 0.112 562 HA GLN 72 HA GLN 72 -6.504 -13.763 -1.392 563 1HB GLN 72 1HB GLN 72 -6.816 -15.263 0.665 564 2HB GLN 72 2HB GLN 72 -7.606 -16.438 -0.385 565 1HG GLN 72 1HG GLN 72 -5.568 -16.594 -1.789 566 2HG GLN 72 2HG GLN 72 -4.763 -15.413 -0.755 567 1HE2 GLN 72 1HE2 GLN 72 -3.345 -17.605 -1.032 568 2HE2 GLN 72 2HE2 GLN 72 -3.463 -18.706 0.291 569 H GLN 73 H GLN 73 -9.461 -15.660 -2.235 570 HA GLN 73 HA GLN 73 -8.250 -16.984 -4.438 571 1HB GLN 73 1HB GLN 73 -10.472 -17.641 -3.407 572 2HB GLN 73 2HB GLN 73 -11.200 -16.239 -4.221 573 1HG GLN 73 1HG GLN 73 -10.183 -17.205 -6.414 574 2HG GLN 73 2HG GLN 73 -9.809 -18.645 -5.483 575 1HE2 GLN 73 1HE2 GLN 73 -11.086 -19.603 -7.234 576 2HE2 GLN 73 2HE2 GLN 73 -12.841 -19.686 -7.085 577 H LYS 74 H LYS 74 -10.233 -13.972 -4.314 578 HA LYS 74 HA LYS 74 -9.920 -13.533 -7.154 579 1HB LYS 74 1HB LYS 74 -11.762 -12.493 -6.009 580 2HB LYS 74 2HB LYS 74 -10.678 -11.533 -4.976 581 1HG LYS 74 1HG LYS 74 -10.074 -10.103 -6.735 582 2HG LYS 74 2HG LYS 74 -10.264 -11.365 -7.938 583 1HD LYS 74 1HD LYS 74 -12.852 -11.115 -7.428 584 2HD LYS 74 2HD LYS 74 -12.345 -9.493 -6.870 585 1HE LYS 74 1HE LYS 74 -11.090 -9.240 -9.053 586 2HE LYS 74 2HE LYS 74 -11.672 -10.832 -9.531 587 1HZ LYS 74 1HZ LYS 74 -13.314 -8.406 -9.183 588 2HZ LYS 74 2HZ LYS 74 -13.006 -9.262 -10.554 589 3HZ LYS 74 3HZ LYS 74 -13.960 -9.918 -9.408 590 H LEU 75 H LEU 75 -8.046 -12.462 -4.302 591 HA LEU 75 HA LEU 75 -6.317 -10.721 -5.736 592 1HB LEU 75 1HB LEU 75 -6.583 -11.563 -3.068 593 2HB LEU 75 2HB LEU 75 -5.137 -12.272 -3.483 594 HG LEU 75 HG LEU 75 -5.862 -9.334 -3.754 595 1HD1 LEU 75 1HD1 LEU 75 -4.248 -10.825 -1.665 596 2HD1 LEU 75 2HD1 LEU 75 -4.399 -9.050 -1.752 597 3HD1 LEU 75 3HD1 LEU 75 -5.826 -10.056 -1.455 598 1HD2 LEU 75 1HD2 LEU 75 -3.033 -10.377 -3.967 599 2HD2 LEU 75 2HD2 LEU 75 -4.041 -9.936 -5.360 600 3HD2 LEU 75 3HD2 LEU 75 -3.626 -8.721 -4.148 601 H ALA 76 H ALA 76 -6.242 -14.273 -5.225 602 HA ALA 76 HA ALA 76 -3.641 -14.685 -6.337 603 1HB ALA 76 1HB ALA 76 -5.955 -16.646 -5.957 604 2HB ALA 76 2HB ALA 76 -4.261 -17.067 -6.264 605 3HB ALA 76 3HB ALA 76 -4.712 -16.268 -4.746 606 H GLU 77 H GLU 77 -6.932 -15.072 -7.639 607 HA GLU 77 HA GLU 77 -6.205 -15.935 -10.258 608 1HB GLU 77 1HB GLU 77 -8.496 -15.830 -8.928 609 2HB GLU 77 2HB GLU 77 -8.582 -14.171 -9.486 610 1HG GLU 77 1HG GLU 77 -9.665 -15.023 -11.269 611 2HG GLU 77 2HG GLU 77 -8.073 -15.517 -11.857 612 H ALA 78 H ALA 78 -6.561 -12.682 -8.786 613 HA ALA 78 HA ALA 78 -6.199 -11.230 -11.243 614 1HB ALA 78 1HB ALA 78 -5.875 -10.368 -8.340 615 2HB ALA 78 2HB ALA 78 -5.963 -9.287 -9.754 616 3HB ALA 78 3HB ALA 78 -7.359 -10.274 -9.311 617 H LEU 79 H LEU 79 -3.952 -12.110 -8.527 618 HA LEU 79 HA LEU 79 -1.637 -10.984 -9.725 619 1HB LEU 79 1HB LEU 79 -2.227 -12.655 -7.414 620 2HB LEU 79 2HB LEU 79 -0.831 -13.308 -8.241 621 HG LEU 79 HG LEU 79 -1.075 -10.349 -7.610 622 1HD1 LEU 79 1HD1 LEU 79 -1.273 -11.445 -5.498 623 2HD1 LEU 79 2HD1 LEU 79 0.113 -12.514 -5.851 624 3HD1 LEU 79 3HD1 LEU 79 0.346 -10.763 -5.624 625 1HD2 LEU 79 1HD2 LEU 79 0.676 -11.113 -9.297 626 2HD2 LEU 79 2HD2 LEU 79 1.375 -10.361 -7.855 627 3HD2 LEU 79 3HD2 LEU 79 1.386 -12.127 -8.036 628 H SER 80 H SER 80 -3.144 -14.176 -10.111 629 HA SER 80 HA SER 80 -1.092 -15.317 -11.758 630 1HB SER 80 1HB SER 80 -4.078 -15.900 -11.541 631 2HB SER 80 2HB SER 80 -2.912 -16.934 -12.353 632 HG SER 80 HG SER 80 -3.097 -16.255 -9.619 633 H MET 81 H MET 81 -4.036 -13.392 -12.514 634 HA MET 81 HA MET 81 -3.756 -13.570 -15.369 635 1HB MET 81 1HB MET 81 -5.868 -13.087 -14.204 636 2HB MET 81 2HB MET 81 -5.210 -11.575 -13.568 637 1HG MET 81 1HG MET 81 -5.094 -10.638 -15.818 638 2HG MET 81 2HG MET 81 -5.592 -12.187 -16.518 639 1HE MET 81 1HE MET 81 -7.087 -9.352 -17.156 640 2HE MET 81 2HE MET 81 -7.448 -10.930 -17.896 641 3HE MET 81 3HE MET 81 -8.751 -9.963 -17.172 642 H LEU 82 H LEU 82 -2.572 -11.325 -12.887 643 HA LEU 82 HA LEU 82 -1.355 -9.373 -14.632 644 1HB LEU 82 1HB LEU 82 -1.709 -8.735 -12.414 645 2HB LEU 82 2HB LEU 82 -1.037 -10.220 -11.763 646 HG LEU 82 HG LEU 82 1.247 -9.510 -12.419 647 1HD1 LEU 82 1HD1 LEU 82 -0.113 -6.888 -13.186 648 2HD1 LEU 82 2HD1 LEU 82 1.641 -7.144 -13.049 649 3HD1 LEU 82 3HD1 LEU 82 0.730 -7.986 -14.301 650 1HD2 LEU 82 1HD2 LEU 82 0.169 -9.038 -10.171 651 2HD2 LEU 82 2HD2 LEU 82 1.527 -8.026 -10.614 652 3HD2 LEU 82 3HD2 LEU 82 -0.133 -7.385 -10.743 653 H LYS 83 H LYS 83 0.110 -12.085 -12.794 654 HA LYS 83 HA LYS 83 2.642 -11.798 -13.911 655 1HB LYS 83 1HB LYS 83 1.899 -13.145 -11.845 656 2HB LYS 83 2HB LYS 83 1.401 -14.407 -12.952 657 1HG LYS 83 1HG LYS 83 3.484 -15.081 -12.243 658 2HG LYS 83 2HG LYS 83 3.860 -14.400 -13.820 659 1HD LYS 83 1HD LYS 83 4.094 -12.799 -11.233 660 2HD LYS 83 2HD LYS 83 5.373 -13.885 -11.766 661 1HE LYS 83 1HE LYS 83 5.523 -12.584 -13.923 662 2HE LYS 83 2HE LYS 83 4.378 -11.417 -13.243 663 1HZ LYS 83 1HZ LYS 83 6.619 -10.688 -12.879 664 2HZ LYS 83 2HZ LYS 83 5.981 -11.103 -11.399 665 3HZ LYS 83 3HZ LYS 83 7.045 -12.078 -12.186 666 H GLY 84 H GLY 84 0.019 -14.004 -14.865 667 1HA GLY 84 1HA GLY 84 -0.475 -14.186 -17.227 668 2HA GLY 84 2HA GLY 84 1.248 -14.447 -17.541 669 H SER 85 H SER 85 1.253 -16.019 -14.835 670 HA SER 85 HA SER 85 -0.279 -18.425 -15.493 671 1HB SER 85 1HB SER 85 2.729 -18.373 -14.984 672 2HB SER 85 2HB SER 85 1.718 -19.834 -15.035 673 HG SER 85 HG SER 85 2.508 -19.722 -16.988 674 H THR 86 H THR 86 -0.016 -19.954 -13.496 675 HA THR 86 HA THR 86 -1.096 -18.586 -11.343 676 HB THR 86 HB THR 86 -0.011 -21.137 -10.476 677 HG1 THR 86 1HG THR 86 0.245 -21.678 -12.617 678 1HG2 THR 86 1HG2 THR 86 -2.817 -20.293 -11.320 679 2HG2 THR 86 2HG2 THR 86 -2.404 -21.751 -10.396 680 3HG2 THR 86 3HG2 THR 86 -2.123 -20.150 -9.692 681 H VAL 87 H VAL 87 -0.406 -17.938 -9.382 682 HA VAL 87 HA VAL 87 2.491 -18.081 -8.637 683 HB VAL 87 HB VAL 87 0.436 -15.832 -8.283 684 1HG1 VAL 87 1HG1 VAL 87 3.349 -15.988 -7.409 685 2HG1 VAL 87 2HG1 VAL 87 2.302 -14.546 -7.344 686 3HG1 VAL 87 3HG1 VAL 87 1.922 -15.948 -6.344 687 1HG2 VAL 87 1HG2 VAL 87 1.261 -15.799 -10.571 688 2HG2 VAL 87 2HG2 VAL 87 2.027 -14.487 -9.682 689 3HG2 VAL 87 3HG2 VAL 87 2.935 -15.986 -10.023 690 H GLU 88 H GLU 88 2.766 -18.614 -6.360 691 HA GLU 88 HA GLU 88 0.317 -19.776 -5.134 692 1HB GLU 88 1HB GLU 88 3.205 -19.803 -4.193 693 2HB GLU 88 2HB GLU 88 1.826 -20.569 -3.409 694 1HG GLU 88 1HG GLU 88 1.641 -21.624 -5.943 695 2HG GLU 88 2HG GLU 88 3.391 -21.395 -5.809 696 H LEU 89 H LEU 89 -0.759 -17.776 -4.982 697 HA LEU 89 HA LEU 89 0.465 -15.612 -3.476 698 1HB LEU 89 1HB LEU 89 -1.032 -14.900 -5.129 699 2HB LEU 89 2HB LEU 89 -2.314 -15.975 -4.530 700 HG LEU 89 HG LEU 89 -2.504 -14.705 -2.437 701 1HD1 LEU 89 1HD1 LEU 89 -0.560 -12.623 -3.479 702 2HD1 LEU 89 2HD1 LEU 89 -1.492 -12.639 -1.977 703 3HD1 LEU 89 3HD1 LEU 89 -0.177 -13.771 -2.163 704 1HD2 LEU 89 1HD2 LEU 89 -3.098 -12.465 -3.510 705 2HD2 LEU 89 2HD2 LEU 89 -2.606 -13.189 -5.041 706 3HD2 LEU 89 3HD2 LEU 89 -3.882 -13.958 -4.048 707 H THR 90 H THR 90 0.684 -15.783 -1.315 708 HA THR 90 HA THR 90 -1.350 -17.332 0.241 709 HB THR 90 HB THR 90 1.514 -16.896 1.076 710 HG1 THR 90 1HG THR 90 1.636 -17.962 -0.897 711 1HG2 THR 90 1HG2 THR 90 -0.518 -19.045 1.787 712 2HG2 THR 90 2HG2 THR 90 1.144 -18.953 2.396 713 3HG2 THR 90 3HG2 THR 90 0.002 -17.692 2.820 714 H ILE 91 H ILE 91 -1.769 -16.312 2.415 715 HA ILE 91 HA ILE 91 -0.831 -13.535 2.648 716 HB ILE 91 HB ILE 91 -3.468 -14.382 3.838 717 1HG1 ILE 91 1HG1 ILE 91 -3.083 -13.620 0.928 718 2HG1 ILE 91 2HG1 ILE 91 -3.946 -15.020 1.625 719 1HG2 ILE 91 1HG2 ILE 91 -2.480 -11.701 2.774 720 2HG2 ILE 91 2HG2 ILE 91 -3.821 -12.013 3.908 721 3HG2 ILE 91 3HG2 ILE 91 -2.178 -12.273 4.425 722 1HD1 ILE 91 1HD1 ILE 91 -5.665 -13.558 2.450 723 2HD1 ILE 91 2HD1 ILE 91 -4.808 -12.155 1.696 724 3HD1 ILE 91 3HD1 ILE 91 -5.448 -13.442 0.686 725 H VAL 92 H VAL 92 0.190 -13.244 4.568 726 HA VAL 92 HA VAL 92 -0.090 -15.299 6.706 727 HB VAL 92 HB VAL 92 2.253 -15.169 7.208 728 1HG1 VAL 92 1HG1 VAL 92 3.169 -16.394 5.361 729 2HG1 VAL 92 2HG1 VAL 92 1.440 -16.794 5.451 730 3HG1 VAL 92 3HG1 VAL 92 2.034 -15.674 4.208 731 1HG2 VAL 92 1HG2 VAL 92 2.857 -12.907 6.546 732 2HG2 VAL 92 2HG2 VAL 92 3.896 -14.058 5.708 733 3HG2 VAL 92 3HG2 VAL 92 2.567 -13.288 4.825 734 H GLU 93 H GLU 93 0.241 -14.289 8.947 735 HA GLU 93 HA GLU 93 -0.758 -11.504 8.893 736 1HB GLU 93 1HB GLU 93 -0.061 -13.085 11.382 737 2HB GLU 93 2HB GLU 93 -1.147 -11.722 11.195 738 1HG GLU 93 1HG GLU 93 -1.611 -14.557 10.274 739 2HG GLU 93 2HG GLU 93 -2.301 -13.765 11.688 740 H ASP 94 H ASP 94 0.641 -9.781 9.333 741 HA ASP 94 HA ASP 94 3.106 -10.347 10.814 742 1HB ASP 94 1HB ASP 94 3.563 -10.505 8.294 743 2HB ASP 94 2HB ASP 94 3.391 -8.739 8.290 744 H ASP 95 H ASP 95 2.236 -9.274 12.482 745 HA ASP 95 HA ASP 95 0.642 -7.046 12.498 746 1HB ASP 95 1HB ASP 95 0.953 -6.905 14.792 747 2HB ASP 95 2HB ASP 95 1.274 -8.598 14.443 748 H ASN 96 H ASN 96 4.192 -6.787 13.036 749 HA ASN 96 HA ASN 96 4.421 -4.515 11.277 750 1HB ASN 96 1HB ASN 96 3.654 -3.312 13.279 751 2HB ASN 96 2HB ASN 96 4.946 -4.038 14.242 752 1HD2 ASN 96 1HD2 ASN 96 7.125 -3.191 14.016 753 2HD2 ASN 96 2HD2 ASN 96 7.517 -1.889 12.949 754 HA PRO 97 HA PRO 97 8.365 -6.701 11.760 755 1HB PRO 97 1HB PRO 97 8.979 -7.120 9.147 756 2HB PRO 97 2HB PRO 97 7.780 -8.115 10.009 757 1HG PRO 97 1HG PRO 97 7.262 -5.879 8.054 758 2HG PRO 97 2HG PRO 97 6.379 -7.405 8.325 759 1HD PRO 97 1HD PRO 97 5.675 -4.879 9.372 760 2HD PRO 97 2HD PRO 97 5.027 -6.463 9.894 761 H ALA 98 H ALA 98 8.793 -5.090 8.754 762 HA ALA 98 HA ALA 98 9.653 -2.483 9.719 763 1HB ALA 98 1HB ALA 98 11.720 -4.501 8.725 764 2HB ALA 98 2HB ALA 98 12.019 -2.783 9.090 765 3HB ALA 98 3HB ALA 98 11.582 -3.897 10.392 766 H VAL 99 H VAL 99 7.804 -3.760 7.655 767 HA VAL 99 HA VAL 99 8.963 -2.596 5.173 768 HB VAL 99 HB VAL 99 7.128 -5.007 5.292 769 1HG1 VAL 99 1HG1 VAL 99 7.072 -3.785 3.140 770 2HG1 VAL 99 2HG1 VAL 99 8.851 -3.820 3.062 771 3HG1 VAL 99 3HG1 VAL 99 7.915 -5.312 2.930 772 1HG2 VAL 99 1HG2 VAL 99 9.160 -6.354 4.628 773 2HG2 VAL 99 2HG2 VAL 99 10.145 -4.935 5.038 774 3HG2 VAL 99 3HG2 VAL 99 9.202 -5.782 6.291 775 H ARG 100 H ARG 100 7.320 -1.603 3.795 776 HA ARG 100 HA ARG 100 4.964 -0.651 5.337 777 1HB ARG 100 1HB ARG 100 6.223 0.523 2.835 778 2HB ARG 100 2HB ARG 100 4.967 1.217 3.828 779 1HG ARG 100 1HG ARG 100 6.961 0.981 5.702 780 2HG ARG 100 2HG ARG 100 7.936 1.087 4.230 781 1HD ARG 100 1HD ARG 100 7.705 3.338 4.908 782 2HD ARG 100 2HD ARG 100 6.511 3.161 3.633 783 HE ARG 100 HE ARG 100 4.850 3.569 5.145 784 1HH1 ARG 100 2HH2 ARG 100 7.892 3.087 6.974 785 2HH1 ARG 100 1HH2 ARG 100 7.146 3.501 8.485 786 1HH2 ARG 100 2HH1 ARG 100 3.866 3.861 7.315 787 2HH2 ARG 100 1HH1 ARG 100 5.005 4.016 8.631 788 H THR 101 H THR 101 2.917 -0.833 4.376 789 HA THR 101 HA THR 101 2.561 -2.813 2.239 790 HB THR 101 HB THR 101 0.245 -2.660 2.910 791 HG1 THR 101 1HG THR 101 -0.600 -1.018 3.797 792 1HG2 THR 101 1HG2 THR 101 1.742 -2.342 5.541 793 2HG2 THR 101 2HG2 THR 101 0.209 -3.166 5.254 794 3HG2 THR 101 3HG2 THR 101 1.707 -3.840 4.587 795 HA PRO 102 HA PRO 102 2.171 0.418 -0.776 796 1HB PRO 102 1HB PRO 102 -0.150 0.128 -2.209 797 2HB PRO 102 2HB PRO 102 1.270 -0.954 -2.331 798 1HG PRO 102 1HG PRO 102 -1.271 -1.427 -0.887 799 2HG PRO 102 2HG PRO 102 -0.275 -2.580 -1.795 800 1HD PRO 102 1HD PRO 102 -0.279 -2.281 0.973 801 2HD PRO 102 2HD PRO 102 1.090 -2.968 0.074 802 H LEU 103 H LEU 103 -0.474 0.156 1.488 803 HA LEU 103 HA LEU 103 -1.557 2.840 1.170 804 1HB LEU 103 1HB LEU 103 -2.605 0.715 2.251 805 2HB LEU 103 2HB LEU 103 -1.662 1.117 3.675 806 HG LEU 103 HG LEU 103 -3.936 2.634 2.366 807 1HD1 LEU 103 1HD1 LEU 103 -4.943 2.356 4.594 808 2HD1 LEU 103 2HD1 LEU 103 -4.461 0.788 3.933 809 3HD1 LEU 103 3HD1 LEU 103 -3.472 1.568 5.189 810 1HD2 LEU 103 1HD2 LEU 103 -2.453 4.447 2.958 811 2HD2 LEU 103 2HD2 LEU 103 -3.715 4.367 4.175 812 3HD2 LEU 103 3HD2 LEU 103 -2.103 3.719 4.545 813 H GLU 104 H GLU 104 0.675 1.167 3.493 814 HA GLU 104 HA GLU 104 1.364 3.576 4.884 815 1HB GLU 104 1HB GLU 104 2.561 0.803 4.717 816 2HB GLU 104 2HB GLU 104 3.316 2.060 5.676 817 1HG GLU 104 1HG GLU 104 0.469 1.049 6.040 818 2HG GLU 104 2HG GLU 104 1.858 0.587 7.019 819 H TRP 105 H TRP 105 2.623 2.130 1.888 820 HA TRP 105 HA TRP 105 4.959 3.807 1.750 821 1HB TRP 105 1HB TRP 105 3.415 2.133 -0.234 822 2HB TRP 105 2HB TRP 105 4.508 3.365 -0.835 823 HD1 TRP 105 HD TRP 105 4.618 -0.150 0.075 824 HE1 TRP 105 1HE TRP 105 7.000 -0.968 0.371 825 HE3 TRP 105 3HE TRP 105 6.976 4.389 0.173 826 HZ2 TRP 105 2HZ TRP 105 9.636 0.242 0.876 827 HZ3 TRP 105 3HZ TRP 105 9.422 4.533 0.520 828 HH2 TRP 105 HH TRP 105 10.736 2.470 0.999 829 H ARG 106 H ARG 106 1.649 4.127 0.338 830 HA ARG 106 HA ARG 106 1.941 6.718 -0.801 831 1HB ARG 106 1HB ARG 106 -0.043 5.374 -1.148 832 2HB ARG 106 2HB ARG 106 -0.394 5.330 0.569 833 1HG ARG 106 1HG ARG 106 -0.694 7.861 0.468 834 2HG ARG 106 2HG ARG 106 -0.728 7.695 -1.295 835 1HD ARG 106 1HD ARG 106 -2.547 6.064 0.539 836 2HD ARG 106 2HD ARG 106 -2.923 7.726 0.118 837 HE ARG 106 HE ARG 106 -3.424 7.194 -2.034 838 1HH1 ARG 106 2HH2 ARG 106 -1.774 4.300 -0.810 839 2HH1 ARG 106 1HH2 ARG 106 -2.487 3.267 -2.000 840 1HH2 ARG 106 2HH1 ARG 106 -4.808 5.759 -3.016 841 2HH2 ARG 106 1HH1 ARG 106 -4.332 4.116 -3.346 842 H GLN 107 H GLN 107 1.017 5.816 2.507 843 HA GLN 107 HA GLN 107 0.833 8.509 3.442 844 1HB GLN 107 1HB GLN 107 -0.072 6.249 4.440 845 2HB GLN 107 2HB GLN 107 1.518 6.089 5.174 846 1HG GLN 107 1HG GLN 107 0.792 7.358 6.883 847 2HG GLN 107 2HG GLN 107 0.667 8.731 5.800 848 1HE2 GLN 107 1HE2 GLN 107 -1.365 9.529 5.300 849 2HE2 GLN 107 2HE2 GLN 107 -2.854 8.812 5.917 850 H ALA 108 H ALA 108 3.600 6.207 3.369 851 HA ALA 108 HA ALA 108 5.348 7.895 4.914 852 1HB ALA 108 1HB ALA 108 5.836 5.583 4.749 853 2HB ALA 108 2HB ALA 108 5.930 5.626 2.963 854 3HB ALA 108 3HB ALA 108 7.153 6.444 3.959 855 H ILE 109 H ILE 109 4.769 7.605 1.367 856 HA ILE 109 HA ILE 109 6.934 9.260 0.553 857 HB ILE 109 HB ILE 109 4.231 8.608 -0.634 858 1HG1 ILE 109 1HG1 ILE 109 6.166 6.856 -0.317 859 2HG1 ILE 109 2HG1 ILE 109 5.220 6.916 -1.778 860 1HG2 ILE 109 1HG2 ILE 109 4.985 9.422 -2.810 861 2HG2 ILE 109 2HG2 ILE 109 4.836 10.741 -1.652 862 3HG2 ILE 109 3HG2 ILE 109 6.440 10.134 -2.061 863 1HD1 ILE 109 1HD1 ILE 109 7.988 8.136 -1.486 864 2HD1 ILE 109 2HD1 ILE 109 7.626 6.535 -2.171 865 3HD1 ILE 109 3HD1 ILE 109 7.042 7.984 -2.993 866 H TYR 110 H TYR 110 3.750 10.058 1.910 867 HA TYR 110 HA TYR 110 3.939 12.887 1.314 868 1HB TYR 110 1HB TYR 110 1.775 11.744 1.956 869 2HB TYR 110 2HB TYR 110 2.397 11.526 3.571 870 HD1 TYR 110 HD1 TYR 110 2.799 13.445 5.082 871 HD2 TYR 110 HD2 TYR 110 1.102 14.019 1.143 872 HE1 TYR 110 HE1 TYR 110 2.320 15.794 5.625 873 HE2 TYR 110 HE2 TYR 110 0.575 16.367 1.711 874 HH TYR 110 HH TYR 110 0.732 18.079 3.395 875 H GLU 111 H GLU 111 4.562 10.944 4.237 876 HA GLU 111 HA GLU 111 5.579 13.189 5.720 877 1HB GLU 111 1HB GLU 111 4.495 11.082 6.591 878 2HB GLU 111 2HB GLU 111 6.027 10.247 6.332 879 1HG GLU 111 1HG GLU 111 7.159 11.830 7.874 880 2HG GLU 111 2HG GLU 111 5.681 12.790 8.004 881 H GLU 112 H GLU 112 7.087 11.031 3.362 882 HA GLU 112 HA GLU 112 9.757 11.354 4.149 883 1HB GLU 112 1HB GLU 112 8.261 10.699 1.646 884 2HB GLU 112 2HB GLU 112 9.846 11.375 1.394 885 1HG GLU 112 1HG GLU 112 9.228 8.953 3.127 886 2HG GLU 112 2HG GLU 112 9.886 8.904 1.497 887 H LYS 113 H LYS 113 7.516 13.619 2.468 888 HA LYS 113 HA LYS 113 9.716 15.446 1.912 889 1HB LYS 113 1HB LYS 113 6.715 15.678 1.647 890 2HB LYS 113 2HB LYS 113 7.813 17.037 1.392 891 1HG LYS 113 1HG LYS 113 9.157 15.476 -0.179 892 2HG LYS 113 2HG LYS 113 7.754 14.405 -0.125 893 1HD LYS 113 1HD LYS 113 6.363 16.290 -1.039 894 2HD LYS 113 2HD LYS 113 7.830 17.306 -1.074 895 1HE LYS 113 1HE LYS 113 8.898 15.422 -2.480 896 2HE LYS 113 2HE LYS 113 7.268 14.749 -2.634 897 1HZ LYS 113 1HZ LYS 113 6.630 16.923 -3.622 898 2HZ LYS 113 2HZ LYS 113 8.222 17.378 -3.567 899 3HZ LYS 113 3HZ LYS 113 7.784 16.111 -4.488 900 H LEU 114 H LEU 114 8.028 14.665 4.724 901 HA LEU 114 HA LEU 114 8.547 17.246 6.111 902 1HB LEU 114 1HB LEU 114 7.133 14.669 6.937 903 2HB LEU 114 2HB LEU 114 7.553 15.929 8.056 904 HG LEU 114 HG LEU 114 6.090 17.521 6.997 905 1HD1 LEU 114 1HD1 LEU 114 6.136 16.959 4.634 906 2HD1 LEU 114 2HD1 LEU 114 5.447 15.351 4.959 907 3HD1 LEU 114 3HD1 LEU 114 4.485 16.817 5.198 908 1HD2 LEU 114 1HD2 LEU 114 3.950 16.417 7.520 909 2HD2 LEU 114 2HD2 LEU 114 4.688 14.817 7.330 910 3HD2 LEU 114 3HD2 LEU 114 5.181 15.877 8.662 911 H ALA 115 H ALA 115 9.495 13.820 5.918 912 HA ALA 115 HA ALA 115 11.308 13.775 8.092 913 1HB ALA 115 1HB ALA 115 11.997 11.629 7.150 914 2HB ALA 115 2HB ALA 115 10.231 11.749 7.072 915 3HB ALA 115 3HB ALA 115 11.223 11.995 5.610 916 H GLN 116 H GLN 116 11.727 14.206 4.542 917 HA GLN 116 HA GLN 116 14.551 14.392 4.631 918 1HB GLN 116 1HB GLN 116 14.471 15.006 2.357 919 2HB GLN 116 2HB GLN 116 13.206 13.816 2.637 920 1HG GLN 116 1HG GLN 116 11.627 15.881 2.861 921 2HG GLN 116 2HG GLN 116 12.958 16.804 2.185 922 1HE2 GLN 116 1HE2 GLN 116 12.444 17.236 0.034 923 2HE2 GLN 116 2HE2 GLN 116 11.751 16.072 -1.074 924 H ALA 117 H ALA 117 12.180 16.678 5.586 925 HA ALA 117 HA ALA 117 13.885 19.064 5.225 926 1HB ALA 117 1HB ALA 117 11.319 18.683 6.816 927 2HB ALA 117 2HB ALA 117 12.151 20.218 6.532 928 3HB ALA 117 3HB ALA 117 11.448 19.332 5.167 929 H ARG 118 H ARG 118 12.892 16.886 7.892 930 HA ARG 118 HA ARG 118 14.658 18.079 9.871 931 1HB ARG 118 1HB ARG 118 12.604 16.882 10.459 932 2HB ARG 118 2HB ARG 118 13.142 15.427 9.625 933 1HG ARG 118 1HG ARG 118 14.854 15.014 11.305 934 2HG ARG 118 2HG ARG 118 14.471 16.551 12.117 935 1HD ARG 118 1HD ARG 118 12.180 15.785 12.561 936 2HD ARG 118 2HD ARG 118 12.498 14.260 11.712 937 HE ARG 118 HE ARG 118 14.341 13.920 13.447 938 1HH1 ARG 118 2HH2 ARG 118 11.120 15.284 14.197 939 2HH1 ARG 118 1HH2 ARG 118 11.274 14.995 15.888 940 1HH2 ARG 118 2HH1 ARG 118 14.520 13.546 15.665 941 2HH2 ARG 118 1HH1 ARG 118 13.178 13.763 16.719 942 H GLU 119 H GLU 119 14.883 15.253 7.752 943 HA GLU 119 HA GLU 119 17.479 14.423 8.495 944 1HB GLU 119 1HB GLU 119 15.564 13.254 7.193 945 2HB GLU 119 2HB GLU 119 16.255 13.995 5.764 946 1HG GLU 119 1HG GLU 119 17.897 12.286 7.684 947 2HG GLU 119 2HG GLU 119 16.868 11.572 6.448 948 H SER 120 H SER 120 16.382 17.107 6.537 949 HA SER 120 HA SER 120 18.615 17.560 4.920 950 1HB SER 120 1HB SER 120 16.431 18.944 5.159 951 2HB SER 120 2HB SER 120 17.265 19.805 6.463 952 HG SER 120 HG SER 120 18.748 20.556 5.012 953 H ILE 121 H ILE 121 18.159 18.239 8.452 954 HA ILE 121 HA ILE 121 20.751 19.488 8.745 955 HB ILE 121 HB ILE 121 19.041 18.143 10.874 956 1HG1 ILE 121 1HG1 ILE 121 17.578 19.710 9.782 957 2HG1 ILE 121 2HG1 ILE 121 18.048 20.351 11.342 958 1HG2 ILE 121 1HG2 ILE 121 21.172 20.309 11.068 959 2HG2 ILE 121 2HG2 ILE 121 20.119 19.795 12.408 960 3HG2 ILE 121 3HG2 ILE 121 21.270 18.661 11.693 961 1HD1 ILE 121 1HD1 ILE 121 18.008 22.118 9.654 962 2HD1 ILE 121 2HD1 ILE 121 19.667 21.891 10.229 963 3HD1 ILE 121 3HD1 ILE 121 19.172 21.246 8.646 964 H ILE 122 H ILE 122 19.567 16.140 8.940 965 HA ILE 122 HA ILE 122 21.937 15.003 10.116 966 HB ILE 122 HB ILE 122 19.768 13.764 8.376 967 1HG1 ILE 122 1HG1 ILE 122 18.750 14.705 10.364 968 2HG1 ILE 122 2HG1 ILE 122 18.735 12.956 10.439 969 1HG2 ILE 122 1HG2 ILE 122 21.652 12.295 8.332 970 2HG2 ILE 122 2HG2 ILE 122 21.800 12.327 10.099 971 3HG2 ILE 122 3HG2 ILE 122 20.384 11.593 9.329 972 1HD1 ILE 122 1HD1 ILE 122 20.663 14.776 11.955 973 2HD1 ILE 122 2HD1 ILE 122 19.251 13.946 12.619 974 3HD1 ILE 122 3HD1 ILE 122 20.629 12.995 12.046 975 H ALA 123 H ALA 123 20.800 15.399 6.737 976 HA ALA 123 HA ALA 123 23.133 14.373 5.504 977 1HB ALA 123 1HB ALA 123 20.979 16.247 4.439 978 2HB ALA 123 2HB ALA 123 22.135 15.310 3.459 979 3HB ALA 123 3HB ALA 123 20.914 14.475 4.436 980 H ASP 124 H ASP 124 22.591 17.457 7.040 981 HA ASP 124 HA ASP 124 24.743 18.853 5.565 982 1HB ASP 124 1HB ASP 124 23.211 19.591 8.108 983 2HB ASP 124 2HB ASP 124 24.549 20.520 7.449 984 H ASN 125 H ASN 125 24.146 17.894 8.966 985 HA ASN 125 HA ASN 125 26.155 16.009 9.241 986 1HB ASN 125 1HB ASN 125 27.876 17.737 9.185 987 2HB ASN 125 2HB ASN 125 26.983 18.702 10.388 988 1HD2 ASN 125 1HD2 ASN 125 28.591 18.551 12.109 989 2HD2 ASN 125 2HD2 ASN 125 28.952 16.983 12.838 990 H ASN 126 H ASN 126 25.039 14.828 10.598 991 HA ASN 126 HA ASN 126 23.055 15.724 12.463 992 1HB ASN 126 1HB ASN 126 23.190 13.380 13.338 993 2HB ASN 126 2HB ASN 126 22.972 13.460 11.598 994 1HD2 ASN 126 1HD2 ASN 126 24.885 11.961 14.028 995 2HD2 ASN 126 2HD2 ASN 126 26.263 11.540 13.021 996 H ILE 127 H ILE 127 26.412 14.568 12.940 997 HA ILE 127 HA ILE 127 26.948 16.153 15.254 998 HB ILE 127 HB ILE 127 26.845 13.114 15.696 999 1HG1 ILE 127 1HG1 ILE 127 24.968 15.155 16.940 1000 2HG1 ILE 127 2HG1 ILE 127 24.534 13.930 15.738 1001 1HG2 ILE 127 1HG2 ILE 127 28.671 14.415 16.846 1002 2HG2 ILE 127 2HG2 ILE 127 27.420 15.380 17.654 1003 3HG2 ILE 127 3HG2 ILE 127 27.566 13.633 17.964 1004 1HD1 ILE 127 1HD1 ILE 127 25.190 12.132 17.315 1005 2HD1 ILE 127 2HD1 ILE 127 25.410 13.372 18.578 1006 3HD1 ILE 127 3HD1 ILE 127 23.820 13.124 17.845 1007 H GLN 128 H GLN 128 27.714 12.933 13.871 1008 HA GLN 128 HA GLN 128 29.853 13.683 12.220 1009 1HB GLN 128 1HB GLN 128 30.931 13.595 14.567 1010 2HB GLN 128 2HB GLN 128 30.523 11.884 14.625 1011 1HG GLN 128 1HG GLN 128 32.061 12.842 12.215 1012 2HG GLN 128 2HG GLN 128 32.889 12.930 13.761 1013 1HE2 GLN 128 1HE2 GLN 128 30.980 10.596 11.807 1014 2HE2 GLN 128 2HE2 GLN 128 31.974 9.192 12.204 Start of MODEL 15 1 1H MET 1 H MET 1 -3.892 15.119 2.501 2 HA MET 1 HA MET 1 -5.809 14.260 3.425 3 1HB MET 1 1HB MET 1 -5.580 11.912 2.919 4 2HB MET 1 2HB MET 1 -4.623 12.846 1.775 5 1HG MET 1 1HG MET 1 -2.555 12.243 2.907 6 2HG MET 1 2HG MET 1 -3.443 11.505 4.245 7 1HE MET 1 1HE MET 1 -1.985 8.247 2.979 8 2HE MET 1 2HE MET 1 -1.216 9.816 3.309 9 3HE MET 1 3HE MET 1 -2.488 9.201 4.389 10 H LYS 2 H LYS 2 -4.290 15.220 5.880 11 HA LYS 2 HA LYS 2 -4.315 12.972 7.742 12 1HB LYS 2 1HB LYS 2 -3.754 15.957 7.946 13 2HB LYS 2 2HB LYS 2 -4.084 15.015 9.392 14 1HG LYS 2 1HG LYS 2 -2.292 13.338 8.482 15 2HG LYS 2 2HG LYS 2 -1.764 14.692 7.488 16 1HD LYS 2 1HD LYS 2 -2.000 14.685 10.524 17 2HD LYS 2 2HD LYS 2 -0.510 14.440 9.602 18 1HE LYS 2 1HE LYS 2 -0.593 16.688 8.701 19 2HE LYS 2 2HE LYS 2 -2.198 16.970 9.402 20 1HZ LYS 2 1HZ LYS 2 -1.305 16.941 11.551 21 2HZ LYS 2 2HZ LYS 2 0.170 16.398 11.077 22 3HZ LYS 2 3HZ LYS 2 -0.353 17.927 10.684 23 H ALA 3 H ALA 3 -5.465 13.416 9.808 24 HA ALA 3 HA ALA 3 -7.263 13.393 11.084 25 1HB ALA 3 1HB ALA 3 -7.880 15.663 10.234 26 2HB ALA 3 2HB ALA 3 -8.874 14.884 8.977 27 3HB ALA 3 3HB ALA 3 -9.260 14.653 10.688 28 H LEU 4 H LEU 4 -9.539 12.338 11.097 29 HA LEU 4 HA LEU 4 -9.133 9.770 9.764 30 1HB LEU 4 1HB LEU 4 -11.215 10.833 11.723 31 2HB LEU 4 2HB LEU 4 -11.353 9.257 10.971 32 HG LEU 4 HG LEU 4 -10.467 9.178 13.254 33 1HD1 LEU 4 1HD1 LEU 4 -9.993 7.362 11.716 34 2HD1 LEU 4 2HD1 LEU 4 -8.514 8.166 11.149 35 3HD1 LEU 4 3HD1 LEU 4 -8.639 7.611 12.826 36 1HD2 LEU 4 1HD2 LEU 4 -7.890 10.389 12.197 37 2HD2 LEU 4 2HD2 LEU 4 -9.076 11.253 13.193 38 3HD2 LEU 4 3HD2 LEU 4 -8.238 9.839 13.846 39 H GLU 5 H GLU 5 -12.199 11.617 10.040 40 HA GLU 5 HA GLU 5 -12.634 11.783 7.215 41 1HB GLU 5 1HB GLU 5 -14.669 10.386 7.305 42 2HB GLU 5 2HB GLU 5 -13.227 9.436 7.614 43 1HG GLU 5 1HG GLU 5 -13.681 9.380 10.009 44 2HG GLU 5 2HG GLU 5 -14.986 10.551 9.841 45 H HIS 6 H HIS 6 -15.007 12.518 7.122 46 HA HIS 6 HA HIS 6 -16.716 13.913 8.448 47 1HB HIS 6 1HB HIS 6 -15.271 15.088 9.957 48 2HB HIS 6 2HB HIS 6 -14.198 15.595 8.646 49 HD1 HIS 6 HD1 HIS 6 -14.458 18.111 8.404 50 HD2 HIS 6 HD2 HIS 6 -18.101 16.085 9.122 51 HE1 HIS 6 HE1 HIS 6 -16.326 19.899 8.433 52 HE2 HIS 6 HE2 HIS 6 -18.520 18.657 8.939 53 H GLU 7 H GLU 7 -14.037 14.611 6.228 54 HA GLU 7 HA GLU 7 -16.005 14.967 4.043 55 1HB GLU 7 1HB GLU 7 -15.297 17.191 4.883 56 2HB GLU 7 2HB GLU 7 -13.614 16.757 4.573 57 1HG GLU 7 1HG GLU 7 -14.190 16.485 2.134 58 2HG GLU 7 2HG GLU 7 -15.831 17.019 2.484 59 H LYS 8 H LYS 8 -12.615 14.470 4.938 60 HA LYS 8 HA LYS 8 -10.915 13.360 4.261 61 1HB LYS 8 1HB LYS 8 -12.805 11.572 4.544 62 2HB LYS 8 2HB LYS 8 -12.650 11.373 2.795 63 1HG LYS 8 1HG LYS 8 -10.303 10.739 3.055 64 2HG LYS 8 2HG LYS 8 -10.327 11.160 4.781 65 1HD LYS 8 1HD LYS 8 -11.888 9.364 5.284 66 2HD LYS 8 2HD LYS 8 -12.177 9.088 3.568 67 1HE LYS 8 1HE LYS 8 -10.747 7.330 4.272 68 2HE LYS 8 2HE LYS 8 -9.762 8.427 3.304 69 1HZ LYS 8 1HZ LYS 8 -9.771 8.180 6.252 70 2HZ LYS 8 2HZ LYS 8 -8.583 7.770 5.218 71 3HZ LYS 8 3HZ LYS 8 -8.929 9.362 5.453 72 H THR 9 H THR 9 -9.470 12.689 2.399 73 HA THR 9 HA THR 9 -10.177 14.165 -0.065 74 HB THR 9 HB THR 9 -7.865 14.853 -0.146 75 HG1 THR 9 1HG THR 9 -7.072 13.179 1.152 76 1HG2 THR 9 1HG2 THR 9 -9.224 15.615 2.502 77 2HG2 THR 9 2HG2 THR 9 -7.894 16.501 1.741 78 3HG2 THR 9 3HG2 THR 9 -9.459 16.392 0.913 79 HA PRO 10 HA PRO 10 -8.654 9.966 -1.305 80 1HB PRO 10 1HB PRO 10 -10.561 9.344 -3.182 81 2HB PRO 10 2HB PRO 10 -10.728 9.008 -1.433 82 1HG PRO 10 1HG PRO 10 -11.796 11.374 -2.975 83 2HG PRO 10 2HG PRO 10 -12.667 10.334 -1.810 84 1HD PRO 10 1HD PRO 10 -11.632 12.729 -1.071 85 2HD PRO 10 2HD PRO 10 -11.578 11.323 0.036 86 H GLU 11 H GLU 11 -9.102 13.079 -2.833 87 HA GLU 11 HA GLU 11 -7.962 12.162 -5.413 88 1HB GLU 11 1HB GLU 11 -8.908 14.791 -4.365 89 2HB GLU 11 2HB GLU 11 -7.646 14.827 -5.571 90 1HG GLU 11 1HG GLU 11 -9.956 13.000 -6.180 91 2HG GLU 11 2HG GLU 11 -10.287 14.732 -6.183 92 H LEU 12 H LEU 12 -6.819 14.189 -2.643 93 HA LEU 12 HA LEU 12 -4.158 14.248 -3.742 94 1HB LEU 12 1HB LEU 12 -4.826 15.908 -2.127 95 2HB LEU 12 2HB LEU 12 -4.948 14.693 -0.844 96 HG LEU 12 HG LEU 12 -2.347 14.617 -2.315 97 1HD1 LEU 12 1HD1 LEU 12 -2.913 17.132 -0.758 98 2HD1 LEU 12 2HD1 LEU 12 -1.374 16.592 -1.524 99 3HD1 LEU 12 3HD1 LEU 12 -2.757 16.980 -2.528 100 1HD2 LEU 12 1HD2 LEU 12 -1.387 14.547 -0.085 101 2HD2 LEU 12 2HD2 LEU 12 -2.939 15.013 0.643 102 3HD2 LEU 12 3HD2 LEU 12 -2.751 13.428 -0.153 103 H ALA 13 H ALA 13 -5.921 11.973 -1.660 104 HA ALA 13 HA ALA 13 -3.560 10.526 -0.859 105 1HB ALA 13 1HB ALA 13 -6.445 9.531 -1.157 106 2HB ALA 13 2HB ALA 13 -5.151 8.760 -0.223 107 3HB ALA 13 3HB ALA 13 -5.802 10.328 0.302 108 H ALA 14 H ALA 14 -5.589 10.504 -3.746 109 HA ALA 14 HA ALA 14 -4.281 8.103 -4.805 110 1HB ALA 14 1HB ALA 14 -5.543 8.523 -6.803 111 2HB ALA 14 2HB ALA 14 -6.594 8.627 -5.377 112 3HB ALA 14 3HB ALA 14 -6.060 10.119 -6.192 113 H LYS 15 H LYS 15 -3.912 11.646 -5.136 114 HA LYS 15 HA LYS 15 -1.908 11.541 -7.249 115 1HB LYS 15 1HB LYS 15 -2.790 13.627 -5.248 116 2HB LYS 15 2HB LYS 15 -1.220 13.826 -5.966 117 1HG LYS 15 1HG LYS 15 -2.542 15.049 -7.379 118 2HG LYS 15 2HG LYS 15 -2.365 13.536 -8.255 119 1HD LYS 15 1HD LYS 15 -4.698 12.904 -7.427 120 2HD LYS 15 2HD LYS 15 -4.794 14.537 -6.710 121 1HE LYS 15 1HE LYS 15 -4.037 15.335 -9.111 122 2HE LYS 15 2HE LYS 15 -4.529 13.732 -9.637 123 1HZ LYS 15 1HZ LYS 15 -6.234 15.832 -8.446 124 2HZ LYS 15 2HZ LYS 15 -6.275 15.240 -9.962 125 3HZ LYS 15 3HZ LYS 15 -6.782 14.295 -8.713 126 H LEU 16 H LEU 16 -1.765 11.473 -3.713 127 HA LEU 16 HA LEU 16 1.068 11.355 -3.410 128 1HB LEU 16 1HB LEU 16 -0.540 12.029 -1.686 129 2HB LEU 16 2HB LEU 16 -1.358 10.467 -1.809 130 HG LEU 16 HG LEU 16 0.672 9.344 -0.905 131 1HD1 LEU 16 1HD1 LEU 16 1.642 12.200 -0.406 132 2HD1 LEU 16 2HD1 LEU 16 2.410 10.687 0.140 133 3HD1 LEU 16 3HD1 LEU 16 2.344 11.066 -1.575 134 1HD2 LEU 16 1HD2 LEU 16 -0.564 11.588 0.757 135 2HD2 LEU 16 2HD2 LEU 16 -1.329 10.031 0.401 136 3HD2 LEU 16 3HD2 LEU 16 0.135 10.072 1.378 137 H ALA 17 H ALA 17 -1.539 8.868 -3.642 138 HA ALA 17 HA ALA 17 0.081 6.611 -3.352 139 1HB ALA 17 1HB ALA 17 -1.816 5.452 -4.509 140 2HB ALA 17 2HB ALA 17 -2.414 6.626 -3.356 141 3HB ALA 17 3HB ALA 17 -2.413 6.989 -5.075 142 H ALA 18 H ALA 18 -0.517 8.625 -6.257 143 HA ALA 18 HA ALA 18 0.732 6.870 -8.129 144 1HB ALA 18 1HB ALA 18 0.546 9.889 -8.274 145 2HB ALA 18 2HB ALA 18 0.766 8.748 -9.613 146 3HB ALA 18 3HB ALA 18 -0.767 8.782 -8.721 147 H GLU 19 H GLU 19 2.071 9.343 -5.900 148 HA GLU 19 HA GLU 19 4.767 9.230 -6.971 149 1HB GLU 19 1HB GLU 19 3.725 9.944 -4.190 150 2HB GLU 19 2HB GLU 19 5.380 10.153 -4.706 151 1HG GLU 19 1HG GLU 19 3.230 11.506 -6.344 152 2HG GLU 19 2HG GLU 19 3.574 12.127 -4.733 153 H ALA 20 H ALA 20 2.958 7.529 -4.382 154 HA ALA 20 HA ALA 20 5.183 5.970 -3.489 155 1HB ALA 20 1HB ALA 20 3.189 6.431 -2.120 156 2HB ALA 20 2HB ALA 20 2.200 5.448 -3.224 157 3HB ALA 20 3HB ALA 20 3.490 4.686 -2.267 158 H ILE 21 H ILE 21 2.793 5.401 -6.015 159 HA ILE 21 HA ILE 21 3.443 2.721 -6.580 160 HB ILE 21 HB ILE 21 2.254 5.120 -7.992 161 1HG1 ILE 21 1HG1 ILE 21 1.204 2.303 -7.765 162 2HG1 ILE 21 2HG1 ILE 21 1.072 3.492 -6.499 163 1HG2 ILE 21 1HG2 ILE 21 2.766 2.689 -9.700 164 2HG2 ILE 21 2HG2 ILE 21 1.881 4.157 -10.134 165 3HG2 ILE 21 3HG2 ILE 21 3.607 4.241 -9.858 166 1HD1 ILE 21 1HD1 ILE 21 -0.185 3.695 -9.264 167 2HD1 ILE 21 2HD1 ILE 21 -1.010 3.442 -7.722 168 3HD1 ILE 21 3HD1 ILE 21 -0.227 4.983 -8.039 169 H GLU 22 H GLU 22 5.243 5.673 -7.423 170 HA GLU 22 HA GLU 22 6.953 4.286 -9.313 171 1HB GLU 22 1HB GLU 22 6.563 6.682 -9.382 172 2HB GLU 22 2HB GLU 22 7.286 6.899 -7.787 173 1HG GLU 22 1HG GLU 22 9.463 6.277 -8.550 174 2HG GLU 22 2HG GLU 22 8.850 5.692 -10.090 175 H ARG 23 H ARG 23 6.760 4.436 -5.817 176 HA ARG 23 HA ARG 23 9.574 3.561 -5.527 177 1HB ARG 23 1HB ARG 23 8.527 5.504 -4.240 178 2HB ARG 23 2HB ARG 23 7.633 4.301 -3.299 179 1HG ARG 23 1HG ARG 23 9.641 3.413 -2.349 180 2HG ARG 23 2HG ARG 23 10.633 4.085 -3.649 181 1HD ARG 23 1HD ARG 23 9.991 6.420 -2.803 182 2HD ARG 23 2HD ARG 23 9.303 5.620 -1.390 183 HE ARG 23 HE ARG 23 11.361 5.536 -0.524 184 1HH1 ARG 23 2HH2 ARG 23 11.796 6.019 -4.010 185 2HH1 ARG 23 1HH2 ARG 23 13.503 5.838 -4.016 186 1HH2 ARG 23 2HH1 ARG 23 13.670 5.512 -0.436 187 2HH2 ARG 23 1HH1 ARG 23 14.595 5.724 -1.877 188 H ASP 24 H ASP 24 6.244 2.372 -5.102 189 HA ASP 24 HA ASP 24 7.269 -0.164 -3.975 190 1HB ASP 24 1HB ASP 24 5.442 1.225 -2.811 191 2HB ASP 24 2HB ASP 24 4.404 0.747 -4.086 192 HA PRO 25 HA PRO 25 6.324 -1.662 -8.188 193 1HB PRO 25 1HB PRO 25 6.912 -4.343 -7.766 194 2HB PRO 25 2HB PRO 25 8.156 -3.100 -8.078 195 1HG PRO 25 1HG PRO 25 7.282 -4.197 -5.406 196 2HG PRO 25 2HG PRO 25 8.947 -3.929 -6.015 197 1HD PRO 25 1HD PRO 25 7.726 -2.147 -4.391 198 2HD PRO 25 2HD PRO 25 8.766 -1.583 -5.736 199 H TRP 26 H TRP 26 5.160 -3.066 -5.111 200 HA TRP 26 HA TRP 26 3.076 -4.638 -6.380 201 1HB TRP 26 1HB TRP 26 4.031 -5.244 -4.197 202 2HB TRP 26 2HB TRP 26 3.492 -3.714 -3.512 203 HD1 TRP 26 HD TRP 26 1.608 -4.072 -1.967 204 HE1 TRP 26 1HE TRP 26 -0.494 -5.441 -1.833 205 HE3 TRP 26 3HE TRP 26 2.158 -6.707 -6.321 206 HZ2 TRP 26 2HZ TRP 26 -1.703 -7.661 -3.341 207 HZ3 TRP 26 3HZ TRP 26 0.710 -8.679 -6.762 208 HH2 TRP 26 HH TRP 26 -1.253 -9.131 -5.302 209 H ALA 27 H ALA 27 3.308 -1.349 -4.916 210 HA ALA 27 HA ALA 27 0.507 -0.817 -4.992 211 1HB ALA 27 1HB ALA 27 1.112 1.556 -5.036 212 2HB ALA 27 2HB ALA 27 2.125 0.700 -3.871 213 3HB ALA 27 3HB ALA 27 2.776 1.141 -5.457 214 H ALA 28 H ALA 28 3.058 -0.354 -7.504 215 HA ALA 28 HA ALA 28 1.383 0.825 -9.507 216 1HB ALA 28 1HB ALA 28 3.872 -0.947 -9.784 217 2HB ALA 28 2HB ALA 28 3.203 0.099 -11.041 218 3HB ALA 28 3HB ALA 28 3.895 0.803 -9.563 219 H GLN 29 H GLN 29 2.279 -2.544 -8.810 220 HA GLN 29 HA GLN 29 0.875 -3.749 -10.965 221 1HB GLN 29 1HB GLN 29 1.792 -4.751 -8.244 222 2HB GLN 29 2HB GLN 29 1.016 -5.795 -9.427 223 1HG GLN 29 1HG GLN 29 2.741 -5.264 -11.099 224 2HG GLN 29 2HG GLN 29 3.531 -4.154 -10.013 225 1HE2 GLN 29 1HE2 GLN 29 4.178 -6.859 -11.311 226 2HE2 GLN 29 2HE2 GLN 29 4.952 -7.790 -10.046 227 H VAL 30 H VAL 30 -0.198 -3.101 -7.559 228 HA VAL 30 HA VAL 30 -2.726 -4.354 -7.958 229 HB VAL 30 HB VAL 30 -1.799 -2.142 -6.032 230 1HG1 VAL 30 1HG1 VAL 30 -4.245 -1.950 -6.082 231 2HG1 VAL 30 2HG1 VAL 30 -4.417 -3.707 -5.876 232 3HG1 VAL 30 3HG1 VAL 30 -3.744 -2.707 -4.571 233 1HG2 VAL 30 1HG2 VAL 30 -1.573 -3.863 -4.402 234 2HG2 VAL 30 2HG2 VAL 30 -2.400 -5.050 -5.447 235 3HG2 VAL 30 3HG2 VAL 30 -0.786 -4.481 -5.859 236 H SER 31 H SER 31 -1.676 -0.999 -8.574 237 HA SER 31 HA SER 31 -4.330 -0.087 -9.248 238 1HB SER 31 1HB SER 31 -1.491 0.863 -9.562 239 2HB SER 31 2HB SER 31 -2.739 1.614 -10.571 240 HG SER 31 HG SER 31 -3.968 1.866 -8.549 241 H GLN 32 H GLN 32 -1.810 -1.876 -11.034 242 HA GLN 32 HA GLN 32 -3.074 -1.454 -13.614 243 1HB GLN 32 1HB GLN 32 -0.689 -1.943 -13.371 244 2HB GLN 32 2HB GLN 32 -1.040 -3.523 -12.661 245 1HG GLN 32 1HG GLN 32 -2.128 -4.258 -14.724 246 2HG GLN 32 2HG GLN 32 -1.823 -2.679 -15.460 247 1HE2 GLN 32 1HE2 GLN 32 0.997 -2.486 -14.267 248 2HE2 GLN 32 2HE2 GLN 32 1.933 -3.665 -15.138 249 H LEU 33 H LEU 33 -3.260 -3.883 -11.028 250 HA LEU 33 HA LEU 33 -5.074 -5.672 -12.413 251 1HB LEU 33 1HB LEU 33 -4.582 -5.233 -9.427 252 2HB LEU 33 2HB LEU 33 -5.463 -6.594 -10.134 253 HG LEU 33 HG LEU 33 -2.520 -5.999 -10.545 254 1HD1 LEU 33 1HD1 LEU 33 -2.792 -6.703 -8.338 255 2HD1 LEU 33 2HD1 LEU 33 -3.877 -8.041 -8.796 256 3HD1 LEU 33 3HD1 LEU 33 -2.162 -8.080 -9.256 257 1HD2 LEU 33 1HD2 LEU 33 -4.349 -8.200 -11.554 258 2HD2 LEU 33 2HD2 LEU 33 -3.423 -7.024 -12.520 259 3HD2 LEU 33 3HD2 LEU 33 -2.575 -8.270 -11.630 260 H SER 34 H SER 34 -5.435 -2.970 -10.375 261 HA SER 34 HA SER 34 -7.187 -1.693 -9.563 262 1HB SER 34 1HB SER 34 -8.370 -2.460 -12.250 263 2HB SER 34 2HB SER 34 -9.122 -1.312 -11.125 264 HG SER 34 HG SER 34 -6.442 -1.038 -12.035 265 H LEU 35 H LEU 35 -7.220 -3.395 -7.932 266 HA LEU 35 HA LEU 35 -9.251 -5.452 -7.906 267 1HB LEU 35 1HB LEU 35 -7.416 -4.160 -5.873 268 2HB LEU 35 2HB LEU 35 -8.787 -5.119 -5.315 269 HG LEU 35 HG LEU 35 -8.057 -7.069 -6.489 270 1HD1 LEU 35 1HD1 LEU 35 -5.824 -7.211 -7.546 271 2HD1 LEU 35 2HD1 LEU 35 -6.900 -6.133 -8.431 272 3HD1 LEU 35 3HD1 LEU 35 -5.635 -5.447 -7.371 273 1HD2 LEU 35 1HD2 LEU 35 -6.029 -7.561 -5.187 274 2HD2 LEU 35 2HD2 LEU 35 -5.784 -5.828 -4.897 275 3HD2 LEU 35 3HD2 LEU 35 -7.196 -6.666 -4.222 276 HA PRO 36 HA PRO 36 -12.814 -3.111 -7.188 277 1HB PRO 36 1HB PRO 36 -14.397 -4.577 -5.480 278 2HB PRO 36 2HB PRO 36 -14.037 -5.013 -7.164 279 1HG PRO 36 1HG PRO 36 -12.618 -6.015 -4.680 280 2HG PRO 36 2HG PRO 36 -13.267 -6.973 -6.050 281 1HD PRO 36 1HD PRO 36 -10.648 -6.300 -5.942 282 2HD PRO 36 2HD PRO 36 -11.523 -6.245 -7.492 283 H LYS 37 H LYS 37 -13.011 -4.125 -3.734 284 HA LYS 37 HA LYS 37 -11.653 -1.650 -2.905 285 1HB LYS 37 1HB LYS 37 -14.039 -1.000 -3.264 286 2HB LYS 37 2HB LYS 37 -14.527 -2.130 -2.003 287 1HG LYS 37 1HG LYS 37 -13.341 -0.917 -0.305 288 2HG LYS 37 2HG LYS 37 -12.360 -0.047 -1.483 289 1HD LYS 37 1HD LYS 37 -13.972 1.456 -0.490 290 2HD LYS 37 2HD LYS 37 -14.273 1.256 -2.219 291 1HE LYS 37 1HE LYS 37 -16.043 -0.462 -1.631 292 2HE LYS 37 2HE LYS 37 -15.785 -0.077 0.081 293 1HZ LYS 37 1HZ LYS 37 -16.563 2.152 -0.354 294 2HZ LYS 37 2HZ LYS 37 -16.646 1.856 -1.984 295 3HZ LYS 37 3HZ LYS 37 -17.656 1.099 -0.940 296 H LEU 38 H LEU 38 -13.709 -4.277 -1.607 297 HA LEU 38 HA LEU 38 -12.340 -4.450 0.908 298 1HB LEU 38 1HB LEU 38 -14.570 -5.370 0.483 299 2HB LEU 38 2HB LEU 38 -13.910 -6.554 -0.631 300 HG LEU 38 HG LEU 38 -14.582 -7.387 1.615 301 1HD1 LEU 38 1HD1 LEU 38 -12.865 -8.974 1.891 302 2HD1 LEU 38 2HD1 LEU 38 -12.994 -8.644 0.155 303 3HD1 LEU 38 3HD1 LEU 38 -11.651 -7.968 1.116 304 1HD2 LEU 38 1HD2 LEU 38 -13.196 -7.076 3.556 305 2HD2 LEU 38 2HD2 LEU 38 -12.064 -6.040 2.663 306 3HD2 LEU 38 3HD2 LEU 38 -13.727 -5.490 2.975 307 H VAL 39 H VAL 39 -11.981 -6.426 -2.063 308 HA VAL 39 HA VAL 39 -9.709 -7.854 -1.081 309 HB VAL 39 HB VAL 39 -10.323 -7.360 -4.017 310 1HG1 VAL 39 1HG1 VAL 39 -8.232 -8.607 -3.503 311 2HG1 VAL 39 2HG1 VAL 39 -9.160 -9.777 -2.556 312 3HG1 VAL 39 3HG1 VAL 39 -9.414 -9.633 -4.308 313 1HG2 VAL 39 1HG2 VAL 39 -11.765 -9.432 -3.885 314 2HG2 VAL 39 2HG2 VAL 39 -11.716 -9.287 -2.114 315 3HG2 VAL 39 3HG2 VAL 39 -12.470 -8.022 -3.106 316 H GLU 40 H GLU 40 -10.063 -4.727 -2.743 317 HA GLU 40 HA GLU 40 -7.273 -4.366 -3.368 318 1HB GLU 40 1HB GLU 40 -9.060 -2.996 -4.425 319 2HB GLU 40 2HB GLU 40 -9.445 -2.283 -2.864 320 1HG GLU 40 1HG GLU 40 -7.255 -1.272 -2.696 321 2HG GLU 40 2HG GLU 40 -6.700 -2.108 -4.151 322 H GLN 41 H GLN 41 -9.311 -3.548 -0.517 323 HA GLN 41 HA GLN 41 -7.358 -2.224 0.967 324 1HB GLN 41 1HB GLN 41 -9.897 -2.510 1.373 325 2HB GLN 41 2HB GLN 41 -9.487 -4.011 2.204 326 1HG GLN 41 1HG GLN 41 -8.097 -2.781 3.802 327 2HG GLN 41 2HG GLN 41 -8.338 -1.272 2.902 328 1HE2 GLN 41 1HE2 GLN 41 -10.814 -0.638 2.589 329 2HE2 GLN 41 2HE2 GLN 41 -11.778 -0.925 4.033 330 H VAL 42 H VAL 42 -7.938 -5.730 0.603 331 HA VAL 42 HA VAL 42 -6.038 -6.586 2.589 332 HB VAL 42 HB VAL 42 -7.273 -7.923 0.145 333 1HG1 VAL 42 1HG1 VAL 42 -5.543 -9.308 2.221 334 2HG1 VAL 42 2HG1 VAL 42 -6.478 -10.072 0.921 335 3HG1 VAL 42 3HG1 VAL 42 -5.095 -9.049 0.524 336 1HG2 VAL 42 1HG2 VAL 42 -8.748 -7.377 2.029 337 2HG2 VAL 42 2HG2 VAL 42 -8.505 -9.124 1.917 338 3HG2 VAL 42 3HG2 VAL 42 -7.622 -8.184 3.143 339 H ALA 43 H ALA 43 -5.750 -6.247 -1.005 340 HA ALA 43 HA ALA 43 -2.987 -6.848 -1.086 341 1HB ALA 43 1HB ALA 43 -4.643 -5.027 -2.885 342 2HB ALA 43 2HB ALA 43 -3.031 -5.651 -3.260 343 3HB ALA 43 3HB ALA 43 -4.388 -6.780 -3.093 344 H LEU 44 H LEU 44 -4.673 -3.818 -0.378 345 HA LEU 44 HA LEU 44 -2.300 -2.204 -0.478 346 1HB LEU 44 1HB LEU 44 -5.100 -1.677 0.577 347 2HB LEU 44 2HB LEU 44 -3.811 -0.484 0.677 348 HG LEU 44 HG LEU 44 -4.927 -1.628 -1.926 349 1HD1 LEU 44 1HD1 LEU 44 -5.139 1.144 -0.655 350 2HD1 LEU 44 2HD1 LEU 44 -5.797 0.654 -2.230 351 3HD1 LEU 44 3HD1 LEU 44 -6.451 -0.068 -0.763 352 1HD2 LEU 44 1HD2 LEU 44 -2.623 -1.140 -2.330 353 2HD2 LEU 44 2HD2 LEU 44 -3.566 0.204 -2.964 354 3HD2 LEU 44 3HD2 LEU 44 -2.727 0.370 -1.389 355 H ASN 45 H ASN 45 -3.982 -3.966 2.148 356 HA ASN 45 HA ASN 45 -2.251 -2.588 4.134 357 1HB ASN 45 1HB ASN 45 -4.682 -4.380 4.424 358 2HB ASN 45 2HB ASN 45 -3.617 -4.002 5.774 359 1HD2 ASN 45 1HD2 ASN 45 -5.601 -2.424 3.291 360 2HD2 ASN 45 2HD2 ASN 45 -5.831 -0.895 4.171 361 H ALA 46 H ALA 46 -1.310 -4.614 1.983 362 HA ALA 46 HA ALA 46 0.291 -6.161 3.883 363 1HB ALA 46 1HB ALA 46 -1.438 -7.725 2.987 364 2HB ALA 46 2HB ALA 46 -1.073 -7.192 1.347 365 3HB ALA 46 3HB ALA 46 0.140 -8.105 2.274 366 H TRP 47 H TRP 47 2.302 -6.807 3.066 367 HA TRP 47 HA TRP 47 3.294 -5.203 0.743 368 1HB TRP 47 1HB TRP 47 5.523 -5.423 1.649 369 2HB TRP 47 2HB TRP 47 4.484 -4.515 2.712 370 HD1 TRP 47 HD TRP 47 3.926 -5.524 5.088 371 HE1 TRP 47 1HE TRP 47 5.265 -7.157 6.569 372 HE3 TRP 47 3HE TRP 47 6.773 -7.799 1.486 373 HZ2 TRP 47 2HZ TRP 47 7.504 -8.991 6.262 374 HZ3 TRP 47 3HZ TRP 47 8.456 -9.506 2.126 375 HH2 TRP 47 HH TRP 47 8.846 -10.067 4.493 376 H LYS 48 H LYS 48 4.163 -6.362 -0.917 377 HA LYS 48 HA LYS 48 3.344 -9.179 -0.903 378 1HB LYS 48 1HB LYS 48 2.549 -7.624 -2.627 379 2HB LYS 48 2HB LYS 48 4.170 -7.266 -3.139 380 1HG LYS 48 1HG LYS 48 3.508 -10.124 -3.083 381 2HG LYS 48 2HG LYS 48 2.506 -9.215 -4.198 382 1HD LYS 48 1HD LYS 48 5.566 -9.206 -4.302 383 2HD LYS 48 2HD LYS 48 4.531 -10.249 -5.276 384 1HE LYS 48 1HE LYS 48 3.386 -8.271 -6.200 385 2HE LYS 48 2HE LYS 48 4.538 -7.232 -5.349 386 1HZ LYS 48 1HZ LYS 48 6.301 -8.307 -6.687 387 2HZ LYS 48 2HZ LYS 48 5.142 -9.196 -7.470 388 3HZ LYS 48 3HZ LYS 48 5.151 -7.569 -7.606 389 H GLU 49 H GLU 49 4.816 -10.662 -0.192 390 HA GLU 49 HA GLU 49 7.672 -10.281 -0.862 391 1HB GLU 49 1HB GLU 49 7.126 -11.203 1.386 392 2HB GLU 49 2HB GLU 49 6.251 -12.537 0.626 393 1HG GLU 49 1HG GLU 49 8.412 -13.106 -0.645 394 2HG GLU 49 2HG GLU 49 9.222 -11.882 0.330 395 H GLU 50 H GLU 50 8.045 -10.815 -3.000 396 HA GLU 50 HA GLU 50 6.395 -12.933 -4.294 397 1HB GLU 50 1HB GLU 50 6.698 -10.974 -5.624 398 2HB GLU 50 2HB GLU 50 8.433 -10.948 -5.341 399 1HG GLU 50 1HG GLU 50 8.817 -12.754 -6.813 400 2HG GLU 50 2HG GLU 50 7.172 -13.378 -6.625 401 H SER 51 H SER 51 7.267 -14.990 -4.310 402 HA SER 51 HA SER 51 9.869 -15.376 -2.985 403 1HB SER 51 1HB SER 51 7.845 -15.794 -1.562 404 2HB SER 51 2HB SER 51 7.310 -16.981 -2.751 405 HG SER 51 HG SER 51 9.681 -17.017 -1.181 406 H ASP 52 H ASP 52 10.382 -17.848 -3.479 407 HA ASP 52 HA ASP 52 11.511 -17.912 -5.944 408 1HB ASP 52 1HB ASP 52 11.955 -19.443 -4.020 409 2HB ASP 52 2HB ASP 52 10.510 -20.370 -4.447 410 H ASN 53 H ASN 53 8.388 -19.420 -5.172 411 HA ASN 53 HA ASN 53 7.506 -19.095 -7.960 412 1HB ASN 53 1HB ASN 53 8.549 -21.341 -7.869 413 2HB ASN 53 2HB ASN 53 7.485 -21.769 -6.519 414 1HD2 ASN 53 1HD2 ASN 53 6.514 -23.482 -7.602 415 2HD2 ASN 53 2HD2 ASN 53 5.465 -23.270 -8.993 416 H ALA 54 H ALA 54 6.794 -17.601 -5.520 417 HA ALA 54 HA ALA 54 3.968 -18.268 -5.326 418 1HB ALA 54 1HB ALA 54 5.887 -18.460 -2.920 419 2HB ALA 54 2HB ALA 54 4.132 -18.461 -2.798 420 3HB ALA 54 3HB ALA 54 4.973 -19.789 -3.617 421 H VAL 55 H VAL 55 2.944 -16.569 -3.792 422 HA VAL 55 HA VAL 55 4.622 -14.180 -3.467 423 HB VAL 55 HB VAL 55 1.993 -14.058 -4.990 424 1HG1 VAL 55 1HG1 VAL 55 2.252 -12.132 -3.540 425 2HG1 VAL 55 2HG1 VAL 55 3.952 -11.976 -4.055 426 3HG1 VAL 55 3HG1 VAL 55 2.622 -11.633 -5.196 427 1HG2 VAL 55 1HG2 VAL 55 3.854 -14.728 -6.532 428 2HG2 VAL 55 2HG2 VAL 55 3.390 -13.055 -6.834 429 3HG2 VAL 55 3HG2 VAL 55 4.845 -13.402 -5.905 430 H CYS 56 H CYS 56 4.491 -13.977 -1.301 431 HA CYS 56 HA CYS 56 1.955 -14.783 0.049 432 1HB CYS 56 1HB CYS 56 4.764 -14.548 1.180 433 2HB CYS 56 2HB CYS 56 3.317 -14.968 2.097 434 HG CYS 56 HG CYS 56 4.949 -17.046 1.466 435 H LEU 57 H LEU 57 0.695 -13.095 0.479 436 HA LEU 57 HA LEU 57 1.817 -10.362 0.574 437 1HB LEU 57 1HB LEU 57 -0.941 -11.571 0.365 438 2HB LEU 57 2HB LEU 57 -0.798 -9.940 1.027 439 HG LEU 57 HG LEU 57 0.648 -10.695 -1.538 440 1HD1 LEU 57 1HD1 LEU 57 -1.122 -9.910 -2.887 441 2HD1 LEU 57 2HD1 LEU 57 -1.798 -11.145 -1.840 442 3HD1 LEU 57 3HD1 LEU 57 -2.108 -9.433 -1.479 443 1HD2 LEU 57 1HD2 LEU 57 -0.460 -8.002 -0.631 444 2HD2 LEU 57 2HD2 LEU 57 1.193 -8.520 -0.279 445 3HD2 LEU 57 3HD2 LEU 57 0.657 -8.353 -1.950 446 H HIS 58 H HIS 58 2.773 -9.808 2.368 447 HA HIS 58 HA HIS 58 1.997 -10.984 4.993 448 1HB HIS 58 1HB HIS 58 4.081 -8.967 4.145 449 2HB HIS 58 2HB HIS 58 3.780 -9.385 5.833 450 HD1 HIS 58 HD1 HIS 58 5.733 -10.998 6.644 451 HD2 HIS 58 HD2 HIS 58 4.647 -11.390 2.565 452 HE1 HIS 58 HE1 HIS 58 7.210 -12.771 5.658 453 HE2 HIS 58 HE2 HIS 58 6.608 -13.010 3.205 454 H LEU 59 H LEU 59 0.024 -10.226 5.551 455 HA LEU 59 HA LEU 59 -0.762 -7.428 5.083 456 1HB LEU 59 1HB LEU 59 -2.205 -9.482 4.652 457 2HB LEU 59 2HB LEU 59 -2.162 -9.790 6.373 458 HG LEU 59 HG LEU 59 -3.137 -7.124 6.217 459 1HD1 LEU 59 1HD1 LEU 59 -4.436 -8.856 4.068 460 2HD1 LEU 59 2HD1 LEU 59 -5.052 -7.298 4.652 461 3HD1 LEU 59 3HD1 LEU 59 -3.519 -7.365 3.777 462 1HD2 LEU 59 1HD2 LEU 59 -4.571 -9.779 6.352 463 2HD2 LEU 59 2HD2 LEU 59 -3.937 -8.860 7.732 464 3HD2 LEU 59 3HD2 LEU 59 -5.311 -8.227 6.792 465 H ARG 60 H ARG 60 -1.360 -6.016 6.852 466 HA ARG 60 HA ARG 60 0.222 -6.368 9.241 467 1HB ARG 60 1HB ARG 60 -2.176 -4.557 8.759 468 2HB ARG 60 2HB ARG 60 -1.172 -4.491 10.196 469 1HG ARG 60 1HG ARG 60 -0.010 -4.124 7.405 470 2HG ARG 60 2HG ARG 60 -0.606 -2.782 8.382 471 1HD ARG 60 1HD ARG 60 1.060 -3.022 10.021 472 2HD ARG 60 2HD ARG 60 1.352 -4.698 9.635 473 HE ARG 60 HE ARG 60 2.206 -2.381 7.973 474 1HH1 ARG 60 2HH2 ARG 60 2.835 -5.675 9.192 475 2HH1 ARG 60 1HH2 ARG 60 4.309 -5.861 8.334 476 1HH2 ARG 60 2HH1 ARG 60 4.143 -2.578 6.956 477 2HH2 ARG 60 1HH1 ARG 60 5.150 -3.963 6.914 478 H SER 61 H SER 61 -0.166 -7.632 11.011 479 HA SER 61 HA SER 61 -2.433 -9.324 11.204 480 1HB SER 61 1HB SER 61 -1.561 -9.518 13.612 481 2HB SER 61 2HB SER 61 -0.445 -9.958 12.311 482 HG SER 61 HG SER 61 0.595 -8.659 13.776 483 H SER 62 H SER 62 -1.854 -5.979 12.211 484 HA SER 62 HA SER 62 -3.918 -5.553 14.063 485 1HB SER 62 1HB SER 62 -2.933 -3.634 11.903 486 2HB SER 62 2HB SER 62 -3.568 -3.218 13.498 487 HG SER 62 HG SER 62 -1.705 -4.390 14.358 488 H GLN 63 H GLN 63 -3.978 -6.031 10.608 489 HA GLN 63 HA GLN 63 -6.837 -5.228 10.435 490 1HB GLN 63 1HB GLN 63 -4.814 -5.146 8.173 491 2HB GLN 63 2HB GLN 63 -6.452 -4.499 8.205 492 1HG GLN 63 1HG GLN 63 -4.000 -3.409 9.568 493 2HG GLN 63 2HG GLN 63 -5.010 -2.640 8.352 494 1HE2 GLN 63 1HE2 GLN 63 -4.157 -1.717 11.037 495 2HE2 GLN 63 2HE2 GLN 63 -5.623 -1.536 12.042 496 H ARG 64 H ARG 64 -5.376 -7.975 11.016 497 HA ARG 64 HA ARG 64 -5.782 -9.574 8.735 498 1HB ARG 64 1HB ARG 64 -4.488 -10.290 10.722 499 2HB ARG 64 2HB ARG 64 -5.999 -10.526 11.617 500 1HG ARG 64 1HG ARG 64 -6.700 -12.288 10.101 501 2HG ARG 64 2HG ARG 64 -5.418 -11.868 8.948 502 1HD ARG 64 1HD ARG 64 -3.730 -12.656 10.555 503 2HD ARG 64 2HD ARG 64 -5.027 -13.163 11.660 504 HE ARG 64 HE ARG 64 -5.702 -14.369 9.266 505 1HH1 ARG 64 2HH2 ARG 64 -2.905 -14.548 11.438 506 2HH1 ARG 64 1HH2 ARG 64 -2.329 -16.057 10.829 507 1HH2 ARG 64 2HH1 ARG 64 -4.931 -16.374 8.382 508 2HH2 ARG 64 1HH1 ARG 64 -3.562 -17.142 9.107 509 H HIS 65 H HIS 65 -8.237 -8.118 10.642 510 HA HIS 65 HA HIS 65 -10.364 -9.935 10.145 511 1HB HIS 65 1HB HIS 65 -10.599 -6.922 10.220 512 2HB HIS 65 2HB HIS 65 -11.819 -8.116 10.644 513 HD1 HIS 65 HD1 HIS 65 -9.859 -9.935 12.649 514 HD2 HIS 65 HD2 HIS 65 -10.213 -5.699 12.483 515 HE1 HIS 65 HE1 HIS 65 -8.935 -9.020 14.843 516 HE2 HIS 65 HE2 HIS 65 -9.171 -6.446 14.759 517 H LEU 66 H LEU 66 -8.715 -7.756 7.850 518 HA LEU 66 HA LEU 66 -10.845 -8.186 5.844 519 1HB LEU 66 1HB LEU 66 -8.089 -6.954 5.459 520 2HB LEU 66 2HB LEU 66 -9.385 -7.068 4.288 521 HG LEU 66 HG LEU 66 -9.554 -4.911 4.843 522 1HD1 LEU 66 1HD1 LEU 66 -11.464 -6.119 6.900 523 2HD1 LEU 66 2HD1 LEU 66 -11.584 -4.524 6.116 524 3HD1 LEU 66 3HD1 LEU 66 -11.763 -5.989 5.158 525 1HD2 LEU 66 1HD2 LEU 66 -9.298 -3.924 7.066 526 2HD2 LEU 66 2HD2 LEU 66 -9.080 -5.541 7.791 527 3HD2 LEU 66 3HD2 LEU 66 -7.906 -4.902 6.623 528 H ASN 67 H ASN 67 -8.142 -9.995 7.026 529 HA ASN 67 HA ASN 67 -7.492 -11.345 4.513 530 1HB ASN 67 1HB ASN 67 -5.932 -11.296 6.533 531 2HB ASN 67 2HB ASN 67 -7.046 -12.385 7.344 532 1HD2 ASN 67 1HD2 ASN 67 -4.499 -13.327 7.066 533 2HD2 ASN 67 2HD2 ASN 67 -4.426 -14.506 5.789 534 H ASN 68 H ASN 68 -9.364 -12.089 3.613 535 HA ASN 68 HA ASN 68 -10.803 -14.168 5.157 536 1HB ASN 68 1HB ASN 68 -12.876 -13.358 4.719 537 2HB ASN 68 2HB ASN 68 -12.021 -11.842 4.888 538 1HD2 ASN 68 1HD2 ASN 68 -13.844 -13.871 2.888 539 2HD2 ASN 68 2HD2 ASN 68 -14.009 -12.775 1.504 540 H ARG 69 H ARG 69 -11.668 -15.884 3.862 541 HA ARG 69 HA ARG 69 -9.798 -16.706 1.841 542 1HB ARG 69 1HB ARG 69 -12.269 -17.850 3.094 543 2HB ARG 69 2HB ARG 69 -11.873 -18.417 1.474 544 1HG ARG 69 1HG ARG 69 -10.894 -19.882 3.142 545 2HG ARG 69 2HG ARG 69 -9.649 -19.108 2.157 546 1HD ARG 69 1HD ARG 69 -9.207 -17.510 4.019 547 2HD ARG 69 2HD ARG 69 -10.468 -18.316 4.980 548 HE ARG 69 HE ARG 69 -8.379 -20.080 3.929 549 1HH1 ARG 69 2HH2 ARG 69 -9.037 -17.913 6.656 550 2HH1 ARG 69 1HH2 ARG 69 -8.314 -18.954 7.836 551 1HH2 ARG 69 2HH1 ARG 69 -7.223 -21.264 5.350 552 2HH2 ARG 69 1HH1 ARG 69 -7.064 -20.850 7.036 553 H GLY 70 H GLY 70 -12.969 -15.140 1.620 554 1HA GLY 70 1HA GLY 70 -13.307 -15.506 -1.192 555 2HA GLY 70 2HA GLY 70 -14.054 -14.236 -0.207 556 H ALA 71 H ALA 71 -11.636 -12.861 0.699 557 HA ALA 71 HA ALA 71 -11.021 -11.315 -1.626 558 1HB ALA 71 1HB ALA 71 -10.735 -10.245 0.523 559 2HB ALA 71 2HB ALA 71 -9.605 -11.504 1.075 560 3HB ALA 71 3HB ALA 71 -9.141 -10.383 -0.218 561 H GLN 72 H GLN 72 -9.195 -13.774 0.199 562 HA GLN 72 HA GLN 72 -6.894 -13.969 -1.362 563 1HB GLN 72 1HB GLN 72 -7.104 -15.091 0.791 564 2HB GLN 72 2HB GLN 72 -8.581 -15.843 0.326 565 1HG GLN 72 1HG GLN 72 -7.013 -17.536 0.530 566 2HG GLN 72 2HG GLN 72 -7.415 -17.367 -1.168 567 1HE2 GLN 72 1HE2 GLN 72 -5.709 -17.223 -2.621 568 2HE2 GLN 72 2HE2 GLN 72 -4.046 -17.200 -2.029 569 H GLN 73 H GLN 73 -10.043 -15.570 -1.925 570 HA GLN 73 HA GLN 73 -9.167 -17.123 -4.138 571 1HB GLN 73 1HB GLN 73 -11.339 -17.361 -2.776 572 2HB GLN 73 2HB GLN 73 -11.978 -15.987 -3.670 573 1HG GLN 73 1HG GLN 73 -12.775 -18.052 -4.655 574 2HG GLN 73 2HG GLN 73 -11.687 -17.253 -5.800 575 1HE2 GLN 73 1HE2 GLN 73 -10.770 -19.031 -6.915 576 2HE2 GLN 73 2HE2 GLN 73 -9.939 -20.349 -6.088 577 H LYS 74 H LYS 74 -10.798 -13.927 -4.032 578 HA LYS 74 HA LYS 74 -10.688 -13.699 -6.904 579 1HB LYS 74 1HB LYS 74 -12.382 -12.587 -5.367 580 2HB LYS 74 2HB LYS 74 -11.099 -11.528 -4.799 581 1HG LYS 74 1HG LYS 74 -12.412 -10.288 -6.302 582 2HG LYS 74 2HG LYS 74 -10.909 -10.596 -7.147 583 1HD LYS 74 1HD LYS 74 -13.428 -12.258 -7.582 584 2HD LYS 74 2HD LYS 74 -13.080 -10.764 -8.461 585 1HE LYS 74 1HE LYS 74 -10.952 -11.710 -9.294 586 2HE LYS 74 2HE LYS 74 -11.325 -13.252 -8.519 587 1HZ LYS 74 1HZ LYS 74 -13.153 -13.564 -9.946 588 2HZ LYS 74 2HZ LYS 74 -13.063 -12.025 -10.550 589 3HZ LYS 74 3HZ LYS 74 -11.881 -13.077 -10.888 590 H LEU 75 H LEU 75 -8.487 -12.756 -4.303 591 HA LEU 75 HA LEU 75 -6.793 -11.049 -5.860 592 1HB LEU 75 1HB LEU 75 -7.017 -11.715 -3.180 593 2HB LEU 75 2HB LEU 75 -5.662 -12.649 -3.602 594 HG LEU 75 HG LEU 75 -6.037 -9.639 -3.957 595 1HD1 LEU 75 1HD1 LEU 75 -5.947 -10.377 -1.618 596 2HD1 LEU 75 2HD1 LEU 75 -4.409 -11.210 -1.916 597 3HD1 LEU 75 3HD1 LEU 75 -4.515 -9.434 -2.039 598 1HD2 LEU 75 1HD2 LEU 75 -3.493 -11.247 -4.374 599 2HD2 LEU 75 2HD2 LEU 75 -4.406 -10.370 -5.618 600 3HD2 LEU 75 3HD2 LEU 75 -3.604 -9.483 -4.320 601 H ALA 76 H ALA 76 -7.002 -14.608 -5.300 602 HA ALA 76 HA ALA 76 -4.469 -15.283 -6.316 603 1HB ALA 76 1HB ALA 76 -5.907 -16.864 -5.056 604 2HB ALA 76 2HB ALA 76 -7.022 -16.948 -6.442 605 3HB ALA 76 3HB ALA 76 -5.365 -17.538 -6.603 606 H GLU 77 H GLU 77 -7.599 -14.918 -8.049 607 HA GLU 77 HA GLU 77 -6.701 -15.619 -10.647 608 1HB GLU 77 1HB GLU 77 -9.128 -15.044 -9.883 609 2HB GLU 77 2HB GLU 77 -8.659 -13.374 -9.850 610 1HG GLU 77 1HG GLU 77 -7.898 -14.357 -12.459 611 2HG GLU 77 2HG GLU 77 -9.521 -14.937 -12.123 612 H ALA 78 H ALA 78 -6.652 -12.493 -8.957 613 HA ALA 78 HA ALA 78 -5.741 -10.943 -11.168 614 1HB ALA 78 1HB ALA 78 -5.341 -10.262 -8.216 615 2HB ALA 78 2HB ALA 78 -5.570 -9.163 -9.603 616 3HB ALA 78 3HB ALA 78 -6.914 -10.146 -9.026 617 H LEU 79 H LEU 79 -3.971 -12.313 -8.326 618 HA LEU 79 HA LEU 79 -1.413 -11.468 -9.274 619 1HB LEU 79 1HB LEU 79 -2.487 -13.020 -7.040 620 2HB LEU 79 2HB LEU 79 -1.063 -13.824 -7.685 621 HG LEU 79 HG LEU 79 -1.154 -10.859 -7.016 622 1HD1 LEU 79 1HD1 LEU 79 0.078 -11.431 -4.959 623 2HD1 LEU 79 2HD1 LEU 79 -1.555 -12.100 -5.001 624 3HD1 LEU 79 3HD1 LEU 79 -0.171 -13.163 -5.315 625 1HD2 LEU 79 1HD2 LEU 79 1.212 -12.763 -7.401 626 2HD2 LEU 79 2HD2 LEU 79 0.666 -11.624 -8.622 627 3HD2 LEU 79 3HD2 LEU 79 1.315 -11.018 -7.092 628 H SER 80 H SER 80 -3.316 -14.433 -9.836 629 HA SER 80 HA SER 80 -1.221 -15.863 -11.156 630 1HB SER 80 1HB SER 80 -4.255 -16.055 -11.174 631 2HB SER 80 2HB SER 80 -3.256 -17.189 -12.041 632 HG SER 80 HG SER 80 -3.568 -16.739 -9.326 633 H MET 81 H MET 81 -3.511 -13.376 -12.312 634 HA MET 81 HA MET 81 -2.695 -13.765 -15.077 635 1HB MET 81 1HB MET 81 -4.911 -12.809 -14.400 636 2HB MET 81 2HB MET 81 -4.072 -11.382 -13.784 637 1HG MET 81 1HG MET 81 -4.946 -10.931 -15.971 638 2HG MET 81 2HG MET 81 -3.197 -10.911 -16.058 639 1HE MET 81 1HE MET 81 -1.871 -12.058 -17.712 640 2HE MET 81 2HE MET 81 -1.960 -13.706 -17.051 641 3HE MET 81 3HE MET 81 -2.346 -13.416 -18.752 642 H LEU 82 H LEU 82 -1.886 -11.556 -12.383 643 HA LEU 82 HA LEU 82 -0.188 -9.766 -13.685 644 1HB LEU 82 1HB LEU 82 -1.029 -9.698 -11.259 645 2HB LEU 82 2HB LEU 82 0.184 -10.902 -10.883 646 HG LEU 82 HG LEU 82 1.967 -9.281 -11.678 647 1HD1 LEU 82 1HD1 LEU 82 0.489 -7.782 -13.040 648 2HD1 LEU 82 2HD1 LEU 82 -0.331 -7.265 -11.552 649 3HD1 LEU 82 3HD1 LEU 82 1.389 -6.908 -11.812 650 1HD2 LEU 82 1HD2 LEU 82 1.527 -9.663 -9.324 651 2HD2 LEU 82 2HD2 LEU 82 1.824 -7.955 -9.573 652 3HD2 LEU 82 3HD2 LEU 82 0.162 -8.520 -9.340 653 H LYS 83 H LYS 83 0.555 -12.928 -12.213 654 HA LYS 83 HA LYS 83 3.348 -12.750 -13.135 655 1HB LYS 83 1HB LYS 83 2.475 -13.811 -10.919 656 2HB LYS 83 2HB LYS 83 2.067 -15.222 -11.905 657 1HG LYS 83 1HG LYS 83 4.337 -15.571 -12.537 658 2HG LYS 83 2HG LYS 83 4.803 -13.926 -12.081 659 1HD LYS 83 1HD LYS 83 4.342 -14.573 -9.647 660 2HD LYS 83 2HD LYS 83 4.193 -16.246 -10.227 661 1HE LYS 83 1HE LYS 83 6.456 -15.898 -9.426 662 2HE LYS 83 2HE LYS 83 6.481 -16.113 -11.178 663 1HZ LYS 83 1HZ LYS 83 6.674 -13.496 -9.789 664 2HZ LYS 83 2HZ LYS 83 7.898 -14.306 -10.568 665 3HZ LYS 83 3HZ LYS 83 6.667 -13.727 -11.422 666 H GLY 84 H GLY 84 0.359 -14.398 -14.149 667 1HA GLY 84 1HA GLY 84 -0.085 -15.033 -16.362 668 2HA GLY 84 2HA GLY 84 1.641 -15.225 -16.690 669 H SER 85 H SER 85 1.872 -16.572 -13.930 670 HA SER 85 HA SER 85 0.942 -19.304 -14.659 671 1HB SER 85 1HB SER 85 3.220 -18.236 -12.924 672 2HB SER 85 2HB SER 85 2.694 -19.923 -12.905 673 HG SER 85 HG SER 85 3.686 -18.478 -15.163 674 H THR 86 H THR 86 0.003 -20.528 -12.943 675 HA THR 86 HA THR 86 -1.662 -19.280 -11.050 676 HB THR 86 HB THR 86 -0.382 -22.048 -11.063 677 HG1 THR 86 1HG THR 86 -2.352 -22.650 -11.986 678 1HG2 THR 86 1HG2 THR 86 -2.310 -22.757 -9.666 679 2HG2 THR 86 2HG2 THR 86 -1.267 -21.601 -8.846 680 3HG2 THR 86 3HG2 THR 86 -2.810 -21.052 -9.518 681 H VAL 87 H VAL 87 -1.053 -18.091 -9.352 682 HA VAL 87 HA VAL 87 1.712 -18.282 -8.277 683 HB VAL 87 HB VAL 87 -0.630 -16.349 -7.934 684 1HG1 VAL 87 1HG1 VAL 87 0.525 -16.395 -5.771 685 2HG1 VAL 87 2HG1 VAL 87 2.096 -16.234 -6.581 686 3HG1 VAL 87 3HG1 VAL 87 0.896 -14.918 -6.642 687 1HG2 VAL 87 1HG2 VAL 87 0.969 -14.742 -8.975 688 2HG2 VAL 87 2HG2 VAL 87 2.165 -16.045 -9.120 689 3HG2 VAL 87 3HG2 VAL 87 0.651 -16.112 -10.032 690 H GLU 88 H GLU 88 2.225 -18.919 -6.231 691 HA GLU 88 HA GLU 88 0.160 -20.335 -4.695 692 1HB GLU 88 1HB GLU 88 3.142 -20.251 -4.748 693 2HB GLU 88 2HB GLU 88 2.396 -20.530 -3.173 694 1HG GLU 88 1HG GLU 88 1.736 -22.147 -5.678 695 2HG GLU 88 2HG GLU 88 2.987 -22.609 -4.501 696 H LEU 89 H LEU 89 -1.170 -18.684 -4.170 697 HA LEU 89 HA LEU 89 -0.012 -16.256 -2.953 698 1HB LEU 89 1HB LEU 89 -1.473 -15.770 -4.745 699 2HB LEU 89 2HB LEU 89 -2.731 -16.839 -4.117 700 HG LEU 89 HG LEU 89 -3.160 -15.370 -2.235 701 1HD1 LEU 89 1HD1 LEU 89 -2.214 -13.270 -1.818 702 2HD1 LEU 89 2HD1 LEU 89 -0.909 -14.435 -1.756 703 3HD1 LEU 89 3HD1 LEU 89 -1.075 -13.407 -3.179 704 1HD2 LEU 89 1HD2 LEU 89 -4.385 -14.764 -4.127 705 2HD2 LEU 89 2HD2 LEU 89 -3.700 -13.246 -3.531 706 3HD2 LEU 89 3HD2 LEU 89 -2.982 -14.017 -4.944 707 H THR 90 H THR 90 0.168 -16.213 -0.879 708 HA THR 90 HA THR 90 -1.952 -17.405 0.839 709 HB THR 90 HB THR 90 0.996 -17.216 1.489 710 HG1 THR 90 1HG THR 90 0.986 -18.968 0.210 711 1HG2 THR 90 1HG2 THR 90 0.508 -18.691 3.382 712 2HG2 THR 90 2HG2 THR 90 -0.328 -17.148 3.511 713 3HG2 THR 90 3HG2 THR 90 -1.230 -18.598 3.008 714 H ILE 91 H ILE 91 -2.204 -16.117 2.741 715 HA ILE 91 HA ILE 91 -1.245 -13.299 2.545 716 HB ILE 91 HB ILE 91 -4.009 -14.125 3.479 717 1HG1 ILE 91 1HG1 ILE 91 -3.378 -12.441 1.008 718 2HG1 ILE 91 2HG1 ILE 91 -3.630 -14.182 0.917 719 1HG2 ILE 91 1HG2 ILE 91 -4.391 -11.674 3.661 720 2HG2 ILE 91 2HG2 ILE 91 -3.009 -12.143 4.657 721 3HG2 ILE 91 3HG2 ILE 91 -2.738 -11.364 3.089 722 1HD1 ILE 91 1HD1 ILE 91 -5.696 -13.185 0.388 723 2HD1 ILE 91 2HD1 ILE 91 -5.848 -13.911 2.005 724 3HD1 ILE 91 3HD1 ILE 91 -5.680 -12.155 1.831 725 H VAL 92 H VAL 92 0.199 -13.228 4.124 726 HA VAL 92 HA VAL 92 -0.092 -14.950 6.547 727 HB VAL 92 HB VAL 92 2.304 -14.926 6.745 728 1HG1 VAL 92 1HG1 VAL 92 1.291 -16.700 5.330 729 2HG1 VAL 92 2HG1 VAL 92 1.627 -15.713 3.882 730 3HG1 VAL 92 3HG1 VAL 92 2.959 -16.324 4.876 731 1HG2 VAL 92 1HG2 VAL 92 2.422 -13.286 4.182 732 2HG2 VAL 92 2HG2 VAL 92 2.936 -12.791 5.821 733 3HG2 VAL 92 3HG2 VAL 92 3.806 -14.067 4.976 734 H GLU 93 H GLU 93 1.179 -13.640 8.498 735 HA GLU 93 HA GLU 93 0.201 -10.852 8.275 736 1HB GLU 93 1HB GLU 93 -0.740 -11.068 10.481 737 2HB GLU 93 2HB GLU 93 -1.557 -12.078 9.303 738 1HG GLU 93 1HG GLU 93 -0.890 -14.045 10.289 739 2HG GLU 93 2HG GLU 93 0.629 -13.429 10.877 740 H ASP 94 H ASP 94 1.469 -9.283 9.100 741 HA ASP 94 HA ASP 94 3.311 -9.995 11.252 742 1HB ASP 94 1HB ASP 94 4.589 -10.230 9.025 743 2HB ASP 94 2HB ASP 94 4.546 -8.453 8.982 744 H ASP 95 H ASP 95 3.458 -8.447 12.746 745 HA ASP 95 HA ASP 95 1.610 -6.251 12.700 746 1HB ASP 95 1HB ASP 95 2.322 -7.350 14.757 747 2HB ASP 95 2HB ASP 95 3.994 -6.872 14.485 748 H ASN 96 H ASN 96 5.193 -6.290 12.585 749 HA ASN 96 HA ASN 96 5.330 -4.191 10.631 750 1HB ASN 96 1HB ASN 96 4.773 -2.797 12.589 751 2HB ASN 96 2HB ASN 96 6.185 -3.392 13.447 752 1HD2 ASN 96 1HD2 ASN 96 8.385 -3.036 12.263 753 2HD2 ASN 96 2HD2 ASN 96 8.544 -1.526 11.394 754 HA PRO 97 HA PRO 97 9.137 -6.757 11.069 755 1HB PRO 97 1HB PRO 97 9.522 -7.406 8.438 756 2HB PRO 97 2HB PRO 97 8.378 -8.262 9.504 757 1HG PRO 97 1HG PRO 97 7.756 -6.246 7.369 758 2HG PRO 97 2HG PRO 97 6.815 -7.665 7.924 759 1HD PRO 97 1HD PRO 97 6.418 -4.962 8.703 760 2HD PRO 97 2HD PRO 97 5.700 -6.415 9.468 761 H ALA 98 H ALA 98 9.274 -5.240 7.906 762 HA ALA 98 HA ALA 98 10.419 -2.758 8.862 763 1HB ALA 98 1HB ALA 98 12.474 -2.949 7.580 764 2HB ALA 98 2HB ALA 98 12.407 -4.223 8.795 765 3HB ALA 98 3HB ALA 98 12.063 -4.611 7.092 766 H VAL 99 H VAL 99 9.915 -4.784 6.222 767 HA VAL 99 HA VAL 99 9.442 -3.018 4.125 768 HB VAL 99 HB VAL 99 7.743 -5.469 4.328 769 1HG1 VAL 99 1HG1 VAL 99 9.178 -4.143 1.988 770 2HG1 VAL 99 2HG1 VAL 99 8.145 -5.575 1.882 771 3HG1 VAL 99 3HG1 VAL 99 7.447 -4.020 2.352 772 1HG2 VAL 99 1HG2 VAL 99 9.623 -6.790 3.312 773 2HG2 VAL 99 2HG2 VAL 99 10.709 -5.445 3.709 774 3HG2 VAL 99 3HG2 VAL 99 9.881 -6.362 4.998 775 H ARG 100 H ARG 100 7.998 -1.591 3.716 776 HA ARG 100 HA ARG 100 5.591 -1.255 5.417 777 1HB ARG 100 1HB ARG 100 6.754 0.498 3.197 778 2HB ARG 100 2HB ARG 100 5.380 0.918 4.210 779 1HG ARG 100 1HG ARG 100 8.290 0.614 5.073 780 2HG ARG 100 2HG ARG 100 7.292 2.074 5.053 781 1HD ARG 100 1HD ARG 100 5.745 0.839 6.703 782 2HD ARG 100 2HD ARG 100 7.045 -0.341 6.897 783 HE ARG 100 HE ARG 100 7.094 2.558 7.559 784 1HH1 ARG 100 2HH2 ARG 100 8.795 -0.528 7.942 785 2HH1 ARG 100 1HH2 ARG 100 9.419 -0.123 9.520 786 1HH2 ARG 100 2HH1 ARG 100 8.069 3.135 9.514 787 2HH2 ARG 100 1HH1 ARG 100 8.884 1.963 10.497 788 H THR 101 H THR 101 3.464 -1.160 4.624 789 HA THR 101 HA THR 101 2.906 -2.827 2.273 790 HB THR 101 HB THR 101 0.570 -2.433 2.982 791 HG1 THR 101 1HG THR 101 0.239 -1.160 4.887 792 1HG2 THR 101 1HG2 THR 101 0.582 -3.480 5.152 793 2HG2 THR 101 2HG2 THR 101 1.934 -4.160 4.229 794 3HG2 THR 101 3HG2 THR 101 2.230 -2.942 5.479 795 HA PRO 102 HA PRO 102 2.648 0.773 -0.355 796 1HB PRO 102 1HB PRO 102 0.512 0.453 -1.985 797 2HB PRO 102 2HB PRO 102 1.960 -0.591 -2.078 798 1HG PRO 102 1HG PRO 102 -0.593 -1.120 -0.600 799 2HG PRO 102 2HG PRO 102 0.212 -2.202 -1.783 800 1HD PRO 102 1HD PRO 102 0.583 -2.493 0.887 801 2HD PRO 102 2HD PRO 102 1.967 -2.697 -0.228 802 H LEU 103 H LEU 103 -0.147 -0.042 1.720 803 HA LEU 103 HA LEU 103 -1.430 2.522 1.588 804 1HB LEU 103 1HB LEU 103 -2.405 0.383 2.606 805 2HB LEU 103 2HB LEU 103 -1.327 0.645 3.976 806 HG LEU 103 HG LEU 103 -2.452 3.043 4.081 807 1HD1 LEU 103 1HD1 LEU 103 -3.654 2.875 1.901 808 2HD1 LEU 103 2HD1 LEU 103 -4.537 1.456 2.504 809 3HD1 LEU 103 3HD1 LEU 103 -4.790 3.050 3.246 810 1HD2 LEU 103 1HD2 LEU 103 -4.265 2.164 5.484 811 2HD2 LEU 103 2HD2 LEU 103 -4.027 0.544 4.784 812 3HD2 LEU 103 3HD2 LEU 103 -2.757 1.285 5.770 813 H GLU 104 H GLU 104 1.113 1.121 3.774 814 HA GLU 104 HA GLU 104 1.434 3.635 5.165 815 1HB GLU 104 1HB GLU 104 2.860 0.990 5.211 816 2HB GLU 104 2HB GLU 104 3.715 2.418 5.779 817 1HG GLU 104 1HG GLU 104 2.765 1.618 7.727 818 2HG GLU 104 2HG GLU 104 1.721 2.949 7.280 819 H TRP 105 H TRP 105 3.171 2.153 2.339 820 HA TRP 105 HA TRP 105 5.180 4.157 2.210 821 1HB TRP 105 1HB TRP 105 3.807 2.567 0.014 822 2HB TRP 105 2HB TRP 105 4.991 3.792 -0.359 823 HD1 TRP 105 HD TRP 105 4.793 0.213 0.400 824 HE1 TRP 105 1HE TRP 105 7.108 -0.805 0.463 825 HE3 TRP 105 3HE TRP 105 7.542 4.528 0.723 826 HZ2 TRP 105 2HZ TRP 105 9.851 0.124 0.382 827 HZ3 TRP 105 3HZ TRP 105 10.014 4.415 0.692 828 HH2 TRP 105 HH TRP 105 11.186 2.229 0.475 829 H ARG 106 H ARG 106 1.874 4.234 0.852 830 HA ARG 106 HA ARG 106 1.979 6.814 -0.364 831 1HB ARG 106 1HB ARG 106 0.110 5.317 -0.673 832 2HB ARG 106 2HB ARG 106 -0.243 5.299 1.048 833 1HG ARG 106 1HG ARG 106 -0.732 7.802 0.838 834 2HG ARG 106 2HG ARG 106 -0.778 7.546 -0.912 835 1HD ARG 106 1HD ARG 106 -2.470 5.948 1.080 836 2HD ARG 106 2HD ARG 106 -2.972 7.507 0.447 837 HE ARG 106 HE ARG 106 -3.516 6.627 -1.554 838 1HH1 ARG 106 2HH2 ARG 106 -1.478 4.138 0.029 839 2HH1 ARG 106 1HH2 ARG 106 -1.842 2.970 -1.199 840 1HH2 ARG 106 2HH1 ARG 106 -4.253 4.934 -2.816 841 2HH2 ARG 106 1HH1 ARG 106 -3.442 3.410 -2.875 842 H GLN 107 H GLN 107 1.128 5.892 2.974 843 HA GLN 107 HA GLN 107 0.758 8.604 3.855 844 1HB GLN 107 1HB GLN 107 -0.036 6.383 4.985 845 2HB GLN 107 2HB GLN 107 1.615 6.257 5.604 846 1HG GLN 107 1HG GLN 107 1.091 8.791 6.397 847 2HG GLN 107 2HG GLN 107 -0.570 8.214 6.305 848 1HE2 GLN 107 1HE2 GLN 107 -0.321 5.505 7.295 849 2HE2 GLN 107 2HE2 GLN 107 0.269 5.667 8.948 850 H ALA 108 H ALA 108 3.656 6.450 3.856 851 HA ALA 108 HA ALA 108 5.300 8.111 5.441 852 1HB ALA 108 1HB ALA 108 5.759 5.725 4.898 853 2HB ALA 108 2HB ALA 108 6.102 6.183 3.214 854 3HB ALA 108 3HB ALA 108 7.125 6.801 4.525 855 H ILE 109 H ILE 109 4.761 7.970 1.901 856 HA ILE 109 HA ILE 109 6.760 9.931 1.290 857 HB ILE 109 HB ILE 109 4.491 8.550 -0.152 858 1HG1 ILE 109 1HG1 ILE 109 7.524 8.607 -0.550 859 2HG1 ILE 109 2HG1 ILE 109 6.727 7.474 0.528 860 1HG2 ILE 109 1HG2 ILE 109 6.332 10.510 -1.565 861 2HG2 ILE 109 2HG2 ILE 109 5.096 9.452 -2.287 862 3HG2 ILE 109 3HG2 ILE 109 4.602 10.779 -1.248 863 1HD1 ILE 109 1HD1 ILE 109 6.375 7.588 -2.475 864 2HD1 ILE 109 2HD1 ILE 109 7.205 6.351 -1.520 865 3HD1 ILE 109 3HD1 ILE 109 5.456 6.538 -1.352 866 H TYR 110 H TYR 110 3.588 10.283 2.580 867 HA TYR 110 HA TYR 110 3.358 13.160 1.897 868 1HB TYR 110 1HB TYR 110 1.345 11.758 2.040 869 2HB TYR 110 2HB TYR 110 1.764 11.213 3.622 870 HD1 TYR 110 HD1 TYR 110 -0.320 11.679 4.554 871 HD2 TYR 110 HD2 TYR 110 2.014 14.866 2.804 872 HE1 TYR 110 HE1 TYR 110 -1.845 13.323 5.549 873 HE2 TYR 110 HE2 TYR 110 0.478 16.525 3.766 874 HH TYR 110 HH TYR 110 -1.247 16.710 5.598 875 H GLU 111 H GLU 111 3.845 11.004 4.689 876 HA GLU 111 HA GLU 111 4.172 13.004 6.652 877 1HB GLU 111 1HB GLU 111 3.530 10.670 7.097 878 2HB GLU 111 2HB GLU 111 5.132 10.109 6.586 879 1HG GLU 111 1HG GLU 111 6.201 11.257 8.422 880 2HG GLU 111 2HG GLU 111 4.714 12.127 8.831 881 H GLU 112 H GLU 112 6.521 11.505 4.383 882 HA GLU 112 HA GLU 112 8.933 12.306 5.424 883 1HB GLU 112 1HB GLU 112 7.724 11.900 2.720 884 2HB GLU 112 2HB GLU 112 9.178 12.857 2.736 885 1HG GLU 112 1HG GLU 112 8.974 10.115 4.044 886 2HG GLU 112 2HG GLU 112 9.479 10.356 2.383 887 H LYS 113 H LYS 113 6.459 14.369 3.788 888 HA LYS 113 HA LYS 113 8.330 16.609 3.784 889 1HB LYS 113 1HB LYS 113 6.266 16.063 2.202 890 2HB LYS 113 2HB LYS 113 5.386 17.076 3.359 891 1HG LYS 113 1HG LYS 113 6.966 18.933 2.965 892 2HG LYS 113 2HG LYS 113 8.033 17.876 2.050 893 1HD LYS 113 1HD LYS 113 5.756 17.560 0.581 894 2HD LYS 113 2HD LYS 113 5.489 19.185 1.211 895 1HE LYS 113 1HE LYS 113 6.636 19.520 -0.832 896 2HE LYS 113 2HE LYS 113 7.921 19.660 0.384 897 1HZ LYS 113 1HZ LYS 113 7.300 17.256 -1.238 898 2HZ LYS 113 2HZ LYS 113 8.653 18.223 -1.354 899 3HZ LYS 113 3HZ LYS 113 8.395 17.286 -0.036 900 H LEU 114 H LEU 114 6.307 15.260 6.144 901 HA LEU 114 HA LEU 114 6.023 17.748 7.779 902 1HB LEU 114 1HB LEU 114 4.959 14.892 7.994 903 2HB LEU 114 2HB LEU 114 5.021 15.944 9.379 904 HG LEU 114 HG LEU 114 3.536 17.559 8.328 905 1HD1 LEU 114 1HD1 LEU 114 2.277 16.937 6.241 906 2HD1 LEU 114 2HD1 LEU 114 3.972 17.303 5.942 907 3HD1 LEU 114 3HD1 LEU 114 3.428 15.611 5.978 908 1HD2 LEU 114 1HD2 LEU 114 1.500 16.155 8.380 909 2HD2 LEU 114 2HD2 LEU 114 2.499 14.691 8.249 910 3HD2 LEU 114 3HD2 LEU 114 2.619 15.730 9.686 911 H ALA 115 H ALA 115 7.641 14.614 7.500 912 HA ALA 115 HA ALA 115 8.896 14.528 10.008 913 1HB ALA 115 1HB ALA 115 10.112 12.648 8.996 914 2HB ALA 115 2HB ALA 115 8.401 12.542 8.574 915 3HB ALA 115 3HB ALA 115 9.592 13.127 7.381 916 H GLN 116 H GLN 116 9.979 15.628 6.755 917 HA GLN 116 HA GLN 116 12.653 16.143 7.599 918 1HB GLN 116 1HB GLN 116 12.952 17.496 5.625 919 2HB GLN 116 2HB GLN 116 12.132 15.982 5.286 920 1HG GLN 116 1HG GLN 116 11.088 17.565 3.922 921 2HG GLN 116 2HG GLN 116 9.949 17.237 5.220 922 1HE2 GLN 116 1HE2 GLN 116 8.826 19.113 5.563 923 2HE2 GLN 116 2HE2 GLN 116 9.537 20.715 5.617 924 H ALA 117 H ALA 117 9.754 17.888 8.257 925 HA ALA 117 HA ALA 117 11.054 20.372 9.034 926 1HB ALA 117 1HB ALA 117 8.946 21.042 9.928 927 2HB ALA 117 2HB ALA 117 8.604 20.200 8.407 928 3HB ALA 117 3HB ALA 117 8.332 19.398 9.974 929 H ARG 118 H ARG 118 9.979 17.393 10.784 930 HA ARG 118 HA ARG 118 10.952 18.298 13.365 931 1HB ARG 118 1HB ARG 118 9.226 16.496 13.104 932 2HB ARG 118 2HB ARG 118 10.445 15.464 12.347 933 1HG ARG 118 1HG ARG 118 11.826 15.758 14.539 934 2HG ARG 118 2HG ARG 118 10.385 16.502 15.215 935 1HD ARG 118 1HD ARG 118 10.412 14.222 15.884 936 2HD ARG 118 2HD ARG 118 9.162 14.330 14.628 937 HE ARG 118 HE ARG 118 11.277 13.654 13.110 938 1HH1 ARG 118 2HH2 ARG 118 10.103 12.158 16.105 939 2HH1 ARG 118 1HH2 ARG 118 10.894 10.649 15.794 940 1HH2 ARG 118 2HH1 ARG 118 12.069 11.769 12.599 941 2HH2 ARG 118 1HH1 ARG 118 11.956 10.323 13.569 942 H GLU 119 H GLU 119 12.258 16.168 10.796 943 HA GLU 119 HA GLU 119 14.613 15.465 12.130 944 1HB GLU 119 1HB GLU 119 13.679 15.262 9.306 945 2HB GLU 119 2HB GLU 119 15.404 15.141 9.616 946 1HG GLU 119 1HG GLU 119 14.915 12.966 9.818 947 2HG GLU 119 2HG GLU 119 14.718 13.414 11.493 948 H SER 120 H SER 120 13.816 18.472 10.650 949 HA SER 120 HA SER 120 16.356 19.529 10.135 950 1HB SER 120 1HB SER 120 13.958 20.494 9.800 951 2HB SER 120 2HB SER 120 14.058 21.016 11.488 952 HG SER 120 HG SER 120 15.678 21.703 9.271 953 H ILE 121 H ILE 121 14.561 19.124 13.218 954 HA ILE 121 HA ILE 121 16.645 20.380 14.827 955 HB ILE 121 HB ILE 121 14.129 18.953 15.759 956 1HG1 ILE 121 1HG1 ILE 121 13.545 21.585 16.080 957 2HG1 ILE 121 2HG1 ILE 121 14.541 21.728 14.643 958 1HG2 ILE 121 1HG2 ILE 121 14.392 20.418 17.764 959 2HG2 ILE 121 2HG2 ILE 121 15.735 19.322 17.572 960 3HG2 ILE 121 3HG2 ILE 121 15.929 21.022 17.107 961 1HD1 ILE 121 1HD1 ILE 121 12.160 21.528 14.072 962 2HD1 ILE 121 2HD1 ILE 121 13.008 20.095 13.503 963 3HD1 ILE 121 3HD1 ILE 121 12.035 20.008 14.982 964 H ILE 122 H ILE 122 15.982 17.213 13.552 965 HA ILE 122 HA ILE 122 17.505 15.796 15.640 966 HB ILE 122 HB ILE 122 16.710 14.897 12.841 967 1HG1 ILE 122 1HG1 ILE 122 14.701 15.263 14.210 968 2HG1 ILE 122 2HG1 ILE 122 14.962 13.556 13.884 969 1HG2 ILE 122 1HG2 ILE 122 18.619 13.623 13.548 970 2HG2 ILE 122 2HG2 ILE 122 17.911 13.327 15.146 971 3HG2 ILE 122 3HG2 ILE 122 17.186 12.604 13.693 972 1HD1 ILE 122 1HD1 ILE 122 15.489 15.030 16.490 973 2HD1 ILE 122 2HD1 ILE 122 14.195 13.868 16.143 974 3HD1 ILE 122 3HD1 ILE 122 15.871 13.310 16.213 975 H ALA 123 H ALA 123 17.991 17.042 12.313 976 HA ALA 123 HA ALA 123 20.758 16.489 12.061 977 1HB ALA 123 1HB ALA 123 19.199 16.915 10.146 978 2HB ALA 123 2HB ALA 123 18.974 18.575 10.703 979 3HB ALA 123 3HB ALA 123 20.561 18.040 10.125 980 H ASP 124 H ASP 124 19.013 19.111 13.611 981 HA ASP 124 HA ASP 124 20.909 21.189 13.684 982 1HB ASP 124 1HB ASP 124 18.636 21.418 14.481 983 2HB ASP 124 2HB ASP 124 18.893 20.188 15.715 984 H ASN 125 H ASN 125 20.664 18.211 15.560 985 HA ASN 125 HA ASN 125 23.409 18.519 16.602 986 1HB ASN 125 1HB ASN 125 22.689 17.304 18.646 987 2HB ASN 125 2HB ASN 125 21.967 18.881 18.469 988 1HD2 ASN 125 1HD2 ASN 125 20.544 15.988 16.665 989 2HD2 ASN 125 2HD2 ASN 125 19.243 15.835 17.793 990 H ASN 126 H ASN 126 23.212 15.702 17.598 991 HA ASN 126 HA ASN 126 22.306 14.013 15.525 992 1HB ASN 126 1HB ASN 126 24.563 14.886 14.525 993 2HB ASN 126 2HB ASN 126 25.345 13.929 15.783 994 1HD2 ASN 126 1HD2 ASN 126 24.709 11.405 15.788 995 2HD2 ASN 126 2HD2 ASN 126 24.220 10.786 14.233 996 H ILE 127 H ILE 127 21.791 12.151 16.705 997 HA ILE 127 HA ILE 127 23.554 11.376 18.915 998 HB ILE 127 HB ILE 127 21.715 10.678 20.266 999 1HG1 ILE 127 1HG1 ILE 127 19.756 10.335 18.993 1000 2HG1 ILE 127 2HG1 ILE 127 19.438 11.621 20.111 1001 1HG2 ILE 127 1HG2 ILE 127 21.131 12.848 21.194 1002 2HG2 ILE 127 2HG2 ILE 127 22.809 12.846 20.631 1003 3HG2 ILE 127 3HG2 ILE 127 21.557 13.657 19.674 1004 1HD1 ILE 127 1HD1 ILE 127 19.859 11.917 17.115 1005 2HD1 ILE 127 2HD1 ILE 127 18.392 12.199 18.053 1006 3HD1 ILE 127 3HD1 ILE 127 19.774 13.294 18.237 1007 H GLN 128 H GLN 128 20.592 10.089 17.374 1008 HA GLN 128 HA GLN 128 21.747 8.568 15.381 1009 1HB GLN 128 1HB GLN 128 22.563 7.164 17.356 1010 2HB GLN 128 2HB GLN 128 20.869 6.893 17.788 1011 1HG GLN 128 1HG GLN 128 20.483 5.713 15.692 1012 2HG GLN 128 2HG GLN 128 22.036 6.253 15.047 1013 1HE2 GLN 128 1HE2 GLN 128 20.926 4.540 18.072 1014 2HE2 GLN 128 2HE2 GLN 128 21.986 3.169 17.822 Start of MODEL 16 1 1H MET 1 H MET 1 -5.683 2.230 12.383 2 HA MET 1 HA MET 1 -5.873 4.074 13.924 3 1HB MET 1 1HB MET 1 -5.525 5.915 12.231 4 2HB MET 1 2HB MET 1 -4.441 4.543 12.187 5 1HG MET 1 1HG MET 1 -5.388 3.637 10.245 6 2HG MET 1 2HG MET 1 -6.806 4.683 10.300 7 1HE MET 1 1HE MET 1 -7.058 6.628 8.863 8 2HE MET 1 2HE MET 1 -6.397 7.479 10.289 9 3HE MET 1 3HE MET 1 -5.817 7.873 8.660 10 H LYS 2 H LYS 2 -7.667 5.945 11.567 11 HA LYS 2 HA LYS 2 -10.202 5.620 12.937 12 1HB LYS 2 1HB LYS 2 -8.853 7.281 14.341 13 2HB LYS 2 2HB LYS 2 -8.702 8.292 12.913 14 1HG LYS 2 1HG LYS 2 -10.455 9.169 14.241 15 2HG LYS 2 2HG LYS 2 -11.241 8.458 12.833 16 1HD LYS 2 1HD LYS 2 -11.955 6.516 14.157 17 2HD LYS 2 2HD LYS 2 -10.892 7.017 15.486 18 1HE LYS 2 1HE LYS 2 -12.269 9.232 15.461 19 2HE LYS 2 2HE LYS 2 -13.479 8.306 14.564 20 1HZ LYS 2 1HZ LYS 2 -13.597 6.786 16.449 21 2HZ LYS 2 2HZ LYS 2 -12.386 7.606 17.232 22 3HZ LYS 2 3HZ LYS 2 -13.838 8.319 16.963 23 H ALA 3 H ALA 3 -11.728 5.899 11.338 24 HA ALA 3 HA ALA 3 -12.641 6.276 9.293 25 1HB ALA 3 1HB ALA 3 -10.896 8.773 9.149 26 2HB ALA 3 2HB ALA 3 -12.399 8.452 8.274 27 3HB ALA 3 3HB ALA 3 -12.442 8.676 10.022 28 H LEU 4 H LEU 4 -11.316 7.360 6.954 29 HA LEU 4 HA LEU 4 -8.908 5.741 6.485 30 1HB LEU 4 1HB LEU 4 -11.369 5.464 4.708 31 2HB LEU 4 2HB LEU 4 -9.727 4.988 4.292 32 HG LEU 4 HG LEU 4 -9.944 3.598 6.605 33 1HD1 LEU 4 1HD1 LEU 4 -12.187 2.627 6.807 34 2HD1 LEU 4 2HD1 LEU 4 -12.332 4.377 6.967 35 3HD1 LEU 4 3HD1 LEU 4 -12.767 3.596 5.442 36 1HD2 LEU 4 1HD2 LEU 4 -10.488 1.622 5.280 37 2HD2 LEU 4 2HD2 LEU 4 -11.036 2.654 3.939 38 3HD2 LEU 4 3HD2 LEU 4 -9.327 2.655 4.435 39 H GLU 5 H GLU 5 -8.421 8.108 6.967 40 HA GLU 5 HA GLU 5 -8.346 9.791 4.605 41 1HB GLU 5 1HB GLU 5 -10.561 10.316 5.549 42 2HB GLU 5 2HB GLU 5 -9.878 10.462 7.169 43 1HG GLU 5 1HG GLU 5 -10.352 12.640 6.270 44 2HG GLU 5 2HG GLU 5 -8.608 12.474 6.447 45 H HIS 6 H HIS 6 -6.700 11.204 4.824 46 HA HIS 6 HA HIS 6 -5.332 11.754 7.350 47 1HB HIS 6 1HB HIS 6 -4.283 9.673 5.581 48 2HB HIS 6 2HB HIS 6 -3.172 11.023 5.589 49 HD1 HIS 6 HD1 HIS 6 -3.890 8.012 7.513 50 HD2 HIS 6 HD2 HIS 6 -2.453 11.929 8.236 51 HE1 HIS 6 HE1 HIS 6 -2.592 7.926 9.748 52 HE2 HIS 6 HE2 HIS 6 -1.734 10.352 10.173 53 H GLU 7 H GLU 7 -5.042 11.832 3.777 54 HA GLU 7 HA GLU 7 -3.537 14.243 3.676 55 1HB GLU 7 1HB GLU 7 -5.192 12.926 1.488 56 2HB GLU 7 2HB GLU 7 -3.880 14.070 1.283 57 1HG GLU 7 1HG GLU 7 -2.931 12.032 0.745 58 2HG GLU 7 2HG GLU 7 -2.315 12.384 2.358 59 H LYS 8 H LYS 8 -6.923 13.769 4.228 60 HA LYS 8 HA LYS 8 -8.716 14.979 4.258 61 1HB LYS 8 1HB LYS 8 -7.459 16.307 5.715 62 2HB LYS 8 2HB LYS 8 -6.614 17.139 4.403 63 1HG LYS 8 1HG LYS 8 -8.619 18.208 3.678 64 2HG LYS 8 2HG LYS 8 -9.588 17.365 4.937 65 1HD LYS 8 1HD LYS 8 -8.074 18.387 6.638 66 2HD LYS 8 2HD LYS 8 -7.206 19.214 5.342 67 1HE LYS 8 1HE LYS 8 -10.165 19.555 6.076 68 2HE LYS 8 2HE LYS 8 -8.896 20.742 6.396 69 1HZ LYS 8 1HZ LYS 8 -9.966 19.931 3.766 70 2HZ LYS 8 2HZ LYS 8 -10.051 21.411 4.452 71 3HZ LYS 8 3HZ LYS 8 -8.607 20.866 3.934 72 H THR 9 H THR 9 -6.700 15.317 1.518 73 HA THR 9 HA THR 9 -8.931 16.283 -0.145 74 HB THR 9 HB THR 9 -7.101 17.420 -1.398 75 HG1 THR 9 1HG THR 9 -5.563 16.763 0.924 76 1HG2 THR 9 1HG2 THR 9 -7.268 18.277 1.529 77 2HG2 THR 9 2HG2 THR 9 -7.049 19.300 0.108 78 3HG2 THR 9 3HG2 THR 9 -8.599 18.490 0.371 79 HA PRO 10 HA PRO 10 -7.872 12.095 -1.415 80 1HB PRO 10 1HB PRO 10 -10.061 11.484 -2.915 81 2HB PRO 10 2HB PRO 10 -10.065 11.498 -1.125 82 1HG PRO 10 1HG PRO 10 -10.974 13.681 -3.006 83 2HG PRO 10 2HG PRO 10 -11.824 13.031 -1.565 84 1HD PRO 10 1HD PRO 10 -10.332 15.318 -1.464 85 2HD PRO 10 2HD PRO 10 -10.356 14.191 -0.090 86 H GLU 11 H GLU 11 -8.197 14.915 -3.470 87 HA GLU 11 HA GLU 11 -7.408 13.398 -5.873 88 1HB GLU 11 1HB GLU 11 -7.291 16.405 -5.438 89 2HB GLU 11 2HB GLU 11 -7.083 15.540 -6.957 90 1HG GLU 11 1HG GLU 11 -9.620 15.834 -5.330 91 2HG GLU 11 2HG GLU 11 -9.273 16.493 -6.921 92 H LEU 12 H LEU 12 -5.937 15.253 -3.249 93 HA LEU 12 HA LEU 12 -3.240 15.115 -4.294 94 1HB LEU 12 1HB LEU 12 -4.010 16.740 -2.475 95 2HB LEU 12 2HB LEU 12 -4.105 15.351 -1.392 96 HG LEU 12 HG LEU 12 -1.558 14.995 -2.411 97 1HD1 LEU 12 1HD1 LEU 12 -1.940 18.000 -2.247 98 2HD1 LEU 12 2HD1 LEU 12 -0.425 17.127 -2.529 99 3HD1 LEU 12 3HD1 LEU 12 -1.703 17.061 -3.746 100 1HD2 LEU 12 1HD2 LEU 12 -0.729 15.929 -0.335 101 2HD2 LEU 12 2HD2 LEU 12 -2.315 16.685 -0.020 102 3HD2 LEU 12 3HD2 LEU 12 -2.145 14.908 -0.069 103 H ALA 13 H ALA 13 -5.315 13.157 -2.118 104 HA ALA 13 HA ALA 13 -3.276 11.375 -1.287 105 1HB ALA 13 1HB ALA 13 -5.611 11.598 -0.258 106 2HB ALA 13 2HB ALA 13 -6.215 10.641 -1.628 107 3HB ALA 13 3HB ALA 13 -5.051 9.935 -0.492 108 H ALA 14 H ALA 14 -5.255 11.394 -4.206 109 HA ALA 14 HA ALA 14 -4.235 8.795 -5.107 110 1HB ALA 14 1HB ALA 14 -6.431 9.589 -5.845 111 2HB ALA 14 2HB ALA 14 -5.675 11.003 -6.616 112 3HB ALA 14 3HB ALA 14 -5.340 9.364 -7.226 113 H LYS 15 H LYS 15 -3.243 12.212 -5.443 114 HA LYS 15 HA LYS 15 -1.257 11.601 -7.547 115 1HB LYS 15 1HB LYS 15 -2.015 13.983 -5.869 116 2HB LYS 15 2HB LYS 15 -0.389 13.938 -6.519 117 1HG LYS 15 1HG LYS 15 -2.207 15.124 -7.868 118 2HG LYS 15 2HG LYS 15 -1.061 14.081 -8.709 119 1HD LYS 15 1HD LYS 15 -2.781 12.327 -8.936 120 2HD LYS 15 2HD LYS 15 -3.904 13.287 -7.976 121 1HE LYS 15 1HE LYS 15 -4.382 13.433 -10.383 122 2HE LYS 15 2HE LYS 15 -3.994 15.013 -9.692 123 1HZ LYS 15 1HZ LYS 15 -1.964 13.360 -11.050 124 2HZ LYS 15 2HZ LYS 15 -2.903 14.416 -11.869 125 3HZ LYS 15 3HZ LYS 15 -1.904 14.988 -10.689 126 H LEU 16 H LEU 16 -1.232 11.985 -4.048 127 HA LEU 16 HA LEU 16 1.477 11.537 -3.467 128 1HB LEU 16 1HB LEU 16 -0.319 12.456 -1.977 129 2HB LEU 16 2HB LEU 16 -1.128 10.889 -2.024 130 HG LEU 16 HG LEU 16 0.942 9.899 -0.917 131 1HD1 LEU 16 1HD1 LEU 16 2.447 11.841 -1.513 132 2HD1 LEU 16 2HD1 LEU 16 1.541 12.853 -0.378 133 3HD1 LEU 16 3HD1 LEU 16 2.436 11.432 0.204 134 1HD2 LEU 16 1HD2 LEU 16 -0.468 12.095 0.667 135 2HD2 LEU 16 2HD2 LEU 16 -1.259 10.575 0.197 136 3HD2 LEU 16 3HD2 LEU 16 0.128 10.527 1.254 137 H ALA 17 H ALA 17 -1.321 9.267 -3.852 138 HA ALA 17 HA ALA 17 0.101 6.898 -3.384 139 1HB ALA 17 1HB ALA 17 -2.120 7.180 -5.460 140 2HB ALA 17 2HB ALA 17 -1.677 5.750 -4.524 141 3HB ALA 17 3HB ALA 17 -2.428 7.147 -3.725 142 H ALA 18 H ALA 18 -0.303 8.796 -6.404 143 HA ALA 18 HA ALA 18 0.898 6.891 -8.137 144 1HB ALA 18 1HB ALA 18 1.003 8.702 -9.754 145 2HB ALA 18 2HB ALA 18 -0.573 8.679 -8.945 146 3HB ALA 18 3HB ALA 18 0.645 9.898 -8.504 147 H GLU 19 H GLU 19 2.260 9.575 -6.237 148 HA GLU 19 HA GLU 19 4.944 9.433 -7.230 149 1HB GLU 19 1HB GLU 19 3.802 10.265 -4.523 150 2HB GLU 19 2HB GLU 19 5.495 10.460 -4.962 151 1HG GLU 19 1HG GLU 19 3.142 11.775 -6.392 152 2HG GLU 19 2HG GLU 19 4.190 12.545 -5.206 153 H ALA 20 H ALA 20 3.350 7.837 -4.410 154 HA ALA 20 HA ALA 20 5.643 6.324 -3.644 155 1HB ALA 20 1HB ALA 20 2.648 5.782 -3.228 156 2HB ALA 20 2HB ALA 20 3.983 5.100 -2.296 157 3HB ALA 20 3HB ALA 20 3.650 6.837 -2.206 158 H ILE 21 H ILE 21 2.969 5.605 -5.844 159 HA ILE 21 HA ILE 21 3.500 2.867 -6.394 160 HB ILE 21 HB ILE 21 2.032 5.162 -7.675 161 1HG1 ILE 21 1HG1 ILE 21 1.103 2.376 -6.907 162 2HG1 ILE 21 2HG1 ILE 21 1.164 3.717 -5.772 163 1HG2 ILE 21 1HG2 ILE 21 1.189 3.755 -9.542 164 2HG2 ILE 21 2HG2 ILE 21 2.884 4.195 -9.688 165 3HG2 ILE 21 3HG2 ILE 21 2.450 2.576 -9.151 166 1HD1 ILE 21 1HD1 ILE 21 -0.608 3.492 -8.225 167 2HD1 ILE 21 2HD1 ILE 21 -1.078 3.552 -6.522 168 3HD1 ILE 21 3HD1 ILE 21 -0.404 4.998 -7.294 169 H GLU 22 H GLU 22 4.978 5.860 -7.752 170 HA GLU 22 HA GLU 22 6.288 4.476 -9.875 171 1HB GLU 22 1HB GLU 22 6.016 6.929 -9.797 172 2HB GLU 22 2HB GLU 22 7.084 7.006 -8.398 173 1HG GLU 22 1HG GLU 22 8.313 7.667 -10.328 174 2HG GLU 22 2HG GLU 22 8.970 6.147 -9.759 175 H ARG 23 H ARG 23 6.963 4.707 -6.441 176 HA ARG 23 HA ARG 23 9.649 3.537 -6.759 177 1HB ARG 23 1HB ARG 23 8.949 5.453 -5.094 178 2HB ARG 23 2HB ARG 23 8.238 4.169 -4.139 179 1HG ARG 23 1HG ARG 23 10.459 2.969 -4.213 180 2HG ARG 23 2HG ARG 23 11.150 4.357 -5.065 181 1HD ARG 23 1HD ARG 23 10.811 5.785 -3.145 182 2HD ARG 23 2HD ARG 23 9.837 4.559 -2.330 183 HE ARG 23 HE ARG 23 11.731 3.183 -2.015 184 1HH1 ARG 23 2HH2 ARG 23 12.679 6.369 -3.352 185 2HH1 ARG 23 1HH2 ARG 23 14.345 6.165 -2.983 186 1HH2 ARG 23 2HH1 ARG 23 13.923 2.846 -1.757 187 2HH2 ARG 23 1HH1 ARG 23 15.088 4.075 -2.146 188 H ASP 24 H ASP 24 6.436 2.625 -5.388 189 HA ASP 24 HA ASP 24 7.492 0.020 -4.506 190 1HB ASP 24 1HB ASP 24 5.977 1.253 -3.000 191 2HB ASP 24 2HB ASP 24 4.716 1.168 -4.187 192 HA PRO 25 HA PRO 25 5.942 -1.518 -8.512 193 1HB PRO 25 1HB PRO 25 6.750 -4.141 -8.249 194 2HB PRO 25 2HB PRO 25 7.809 -2.816 -8.809 195 1HG PRO 25 1HG PRO 25 7.553 -3.967 -6.020 196 2HG PRO 25 2HG PRO 25 9.057 -3.600 -6.917 197 1HD PRO 25 1HD PRO 25 8.046 -1.920 -5.048 198 2HD PRO 25 2HD PRO 25 8.808 -1.281 -6.535 199 H TRP 26 H TRP 26 5.422 -2.934 -5.203 200 HA TRP 26 HA TRP 26 3.253 -4.610 -6.145 201 1HB TRP 26 1HB TRP 26 4.431 -5.208 -4.115 202 2HB TRP 26 2HB TRP 26 3.989 -3.676 -3.360 203 HD1 TRP 26 HD TRP 26 2.176 -3.919 -1.731 204 HE1 TRP 26 1HE TRP 26 -0.006 -5.241 -1.428 205 HE3 TRP 26 3HE TRP 26 2.550 -6.908 -5.844 206 HZ2 TRP 26 2HZ TRP 26 -1.390 -7.378 -2.846 207 HZ3 TRP 26 3HZ TRP 26 0.886 -8.718 -6.246 208 HH2 TRP 26 HH TRP 26 -1.110 -8.919 -4.787 209 H ALA 27 H ALA 27 3.405 -1.319 -4.603 210 HA ALA 27 HA ALA 27 0.609 -0.890 -4.586 211 1HB ALA 27 1HB ALA 27 1.123 1.487 -4.515 212 2HB ALA 27 2HB ALA 27 2.323 0.641 -3.530 213 3HB ALA 27 3HB ALA 27 2.744 1.201 -5.163 214 H ALA 28 H ALA 28 2.999 -0.363 -7.186 215 HA ALA 28 HA ALA 28 1.220 0.806 -9.072 216 1HB ALA 28 1HB ALA 28 3.697 -0.899 -9.655 217 2HB ALA 28 2HB ALA 28 2.982 0.355 -10.689 218 3HB ALA 28 3HB ALA 28 3.777 0.790 -9.161 219 H GLN 29 H GLN 29 2.245 -2.543 -8.517 220 HA GLN 29 HA GLN 29 0.876 -3.798 -10.658 221 1HB GLN 29 1HB GLN 29 1.876 -4.749 -7.949 222 2HB GLN 29 2HB GLN 29 1.062 -5.830 -9.063 223 1HG GLN 29 1HG GLN 29 2.743 -5.502 -10.772 224 2HG GLN 29 2HG GLN 29 3.528 -4.231 -9.886 225 1HE2 GLN 29 1HE2 GLN 29 4.615 -6.777 -10.899 226 2HE2 GLN 29 2HE2 GLN 29 5.370 -7.499 -9.485 227 H VAL 30 H VAL 30 -0.155 -3.231 -7.211 228 HA VAL 30 HA VAL 30 -2.691 -4.533 -7.566 229 HB VAL 30 HB VAL 30 -1.798 -2.243 -5.710 230 1HG1 VAL 30 1HG1 VAL 30 -4.386 -3.848 -5.571 231 2HG1 VAL 30 2HG1 VAL 30 -3.756 -2.823 -4.258 232 3HG1 VAL 30 3HG1 VAL 30 -4.229 -2.094 -5.792 233 1HG2 VAL 30 1HG2 VAL 30 -0.680 -4.454 -5.368 234 2HG2 VAL 30 2HG2 VAL 30 -1.642 -3.935 -3.991 235 3HG2 VAL 30 3HG2 VAL 30 -2.271 -5.185 -5.110 236 H SER 31 H SER 31 -1.645 -1.166 -8.237 237 HA SER 31 HA SER 31 -4.287 -0.314 -8.962 238 1HB SER 31 1HB SER 31 -1.477 0.784 -9.321 239 2HB SER 31 2HB SER 31 -2.941 1.654 -9.849 240 HG SER 31 HG SER 31 -3.679 1.129 -7.582 241 H GLN 32 H GLN 32 -1.861 -2.131 -10.665 242 HA GLN 32 HA GLN 32 -3.007 -1.610 -13.307 243 1HB GLN 32 1HB GLN 32 -0.632 -2.122 -12.977 244 2HB GLN 32 2HB GLN 32 -1.015 -3.699 -12.292 245 1HG GLN 32 1HG GLN 32 -1.969 -4.456 -14.366 246 2HG GLN 32 2HG GLN 32 -1.718 -2.873 -15.111 247 1HE2 GLN 32 1HE2 GLN 32 1.029 -2.324 -14.282 248 2HE2 GLN 32 2HE2 GLN 32 1.999 -3.554 -15.081 249 H LEU 33 H LEU 33 -3.581 -3.768 -10.599 250 HA LEU 33 HA LEU 33 -5.326 -5.561 -12.187 251 1HB LEU 33 1HB LEU 33 -4.651 -5.519 -9.218 252 2HB LEU 33 2HB LEU 33 -5.513 -6.802 -10.075 253 HG LEU 33 HG LEU 33 -2.613 -6.029 -10.250 254 1HD1 LEU 33 1HD1 LEU 33 -2.127 -8.175 -9.453 255 2HD1 LEU 33 2HD1 LEU 33 -3.394 -7.533 -8.418 256 3HD1 LEU 33 3HD1 LEU 33 -3.788 -8.729 -9.677 257 1HD2 LEU 33 1HD2 LEU 33 -4.224 -7.862 -12.095 258 2HD2 LEU 33 2HD2 LEU 33 -3.309 -6.409 -12.569 259 3HD2 LEU 33 3HD2 LEU 33 -2.453 -7.834 -12.047 260 H SER 34 H SER 34 -5.570 -2.841 -10.166 261 HA SER 34 HA SER 34 -7.225 -1.809 -8.969 262 1HB SER 34 1HB SER 34 -8.640 -2.311 -11.598 263 2HB SER 34 2HB SER 34 -9.177 -1.159 -10.356 264 HG SER 34 HG SER 34 -7.791 -0.368 -12.118 265 H LEU 35 H LEU 35 -7.200 -3.646 -7.524 266 HA LEU 35 HA LEU 35 -9.248 -5.664 -7.460 267 1HB LEU 35 1HB LEU 35 -7.409 -4.381 -5.428 268 2HB LEU 35 2HB LEU 35 -8.707 -5.435 -4.890 269 HG LEU 35 HG LEU 35 -7.846 -7.351 -5.967 270 1HD1 LEU 35 1HD1 LEU 35 -5.777 -7.353 -7.347 271 2HD1 LEU 35 2HD1 LEU 35 -7.090 -6.475 -8.125 272 3HD1 LEU 35 3HD1 LEU 35 -5.780 -5.573 -7.314 273 1HD2 LEU 35 1HD2 LEU 35 -5.568 -7.522 -4.996 274 2HD2 LEU 35 2HD2 LEU 35 -5.501 -5.764 -4.820 275 3HD2 LEU 35 3HD2 LEU 35 -6.672 -6.701 -3.886 276 HA PRO 36 HA PRO 36 -12.742 -3.242 -6.512 277 1HB PRO 36 1HB PRO 36 -14.373 -4.845 -4.986 278 2HB PRO 36 2HB PRO 36 -14.006 -5.122 -6.701 279 1HG PRO 36 1HG PRO 36 -12.575 -6.354 -4.316 280 2HG PRO 36 2HG PRO 36 -13.279 -7.204 -5.728 281 1HD PRO 36 1HD PRO 36 -10.660 -6.621 -5.696 282 2HD PRO 36 2HD PRO 36 -11.600 -6.342 -7.183 283 H LYS 37 H LYS 37 -13.215 -4.561 -3.222 284 HA LYS 37 HA LYS 37 -11.881 -2.142 -2.095 285 1HB LYS 37 1HB LYS 37 -14.790 -2.915 -1.694 286 2HB LYS 37 2HB LYS 37 -13.896 -1.889 -0.573 287 1HG LYS 37 1HG LYS 37 -14.294 -1.215 -3.504 288 2HG LYS 37 2HG LYS 37 -15.279 -0.628 -2.161 289 1HD LYS 37 1HD LYS 37 -13.238 0.365 -1.108 290 2HD LYS 37 2HD LYS 37 -12.286 -0.096 -2.519 291 1HE LYS 37 1HE LYS 37 -14.706 1.737 -2.617 292 2HE LYS 37 2HE LYS 37 -13.031 2.285 -2.456 293 1HZ LYS 37 1HZ LYS 37 -13.695 2.373 -4.733 294 2HZ LYS 37 2HZ LYS 37 -12.558 1.214 -4.579 295 3HZ LYS 37 3HZ LYS 37 -14.153 0.798 -4.747 296 H LEU 38 H LEU 38 -13.690 -5.107 -1.166 297 HA LEU 38 HA LEU 38 -12.358 -5.413 1.351 298 1HB LEU 38 1HB LEU 38 -14.394 -6.631 0.756 299 2HB LEU 38 2HB LEU 38 -13.558 -7.462 -0.556 300 HG LEU 38 HG LEU 38 -12.153 -8.674 1.032 301 1HD1 LEU 38 1HD1 LEU 38 -11.948 -7.108 2.877 302 2HD1 LEU 38 2HD1 LEU 38 -13.702 -7.177 3.196 303 3HD1 LEU 38 3HD1 LEU 38 -12.665 -8.598 3.463 304 1HD2 LEU 38 1HD2 LEU 38 -13.965 -10.048 1.999 305 2HD2 LEU 38 2HD2 LEU 38 -15.138 -8.765 1.665 306 3HD2 LEU 38 3HD2 LEU 38 -14.314 -9.604 0.328 307 H VAL 39 H VAL 39 -11.752 -7.008 -1.795 308 HA VAL 39 HA VAL 39 -9.352 -8.284 -1.002 309 HB VAL 39 HB VAL 39 -9.978 -7.460 -3.857 310 1HG1 VAL 39 1HG1 VAL 39 -7.871 -8.652 -3.436 311 2HG1 VAL 39 2HG1 VAL 39 -8.753 -9.983 -2.674 312 3HG1 VAL 39 3HG1 VAL 39 -8.970 -9.641 -4.407 313 1HG2 VAL 39 1HG2 VAL 39 -11.341 -9.698 -2.317 314 2HG2 VAL 39 2HG2 VAL 39 -12.119 -8.322 -3.115 315 3HG2 VAL 39 3HG2 VAL 39 -11.340 -9.557 -4.088 316 H GLU 40 H GLU 40 -10.013 -5.093 -2.393 317 HA GLU 40 HA GLU 40 -7.317 -4.300 -2.960 318 1HB GLU 40 1HB GLU 40 -9.336 -3.070 -3.778 319 2HB GLU 40 2HB GLU 40 -9.715 -2.647 -2.115 320 1HG GLU 40 1HG GLU 40 -7.250 -1.614 -2.160 321 2HG GLU 40 2HG GLU 40 -7.510 -1.615 -3.891 322 H GLN 41 H GLN 41 -9.396 -3.953 0.006 323 HA GLN 41 HA GLN 41 -7.453 -2.614 1.491 324 1HB GLN 41 1HB GLN 41 -10.003 -3.042 1.916 325 2HB GLN 41 2HB GLN 41 -9.443 -4.402 2.875 326 1HG GLN 41 1HG GLN 41 -8.189 -2.970 4.339 327 2HG GLN 41 2HG GLN 41 -8.282 -1.594 3.229 328 1HE2 GLN 41 1HE2 GLN 41 -10.863 -1.257 2.586 329 2HE2 GLN 41 2HE2 GLN 41 -11.890 -1.146 4.006 330 H VAL 42 H VAL 42 -7.888 -6.083 0.952 331 HA VAL 42 HA VAL 42 -6.012 -6.973 2.956 332 HB VAL 42 HB VAL 42 -7.227 -8.182 0.450 333 1HG1 VAL 42 1HG1 VAL 42 -6.276 -10.307 0.884 334 2HG1 VAL 42 2HG1 VAL 42 -4.931 -9.192 0.716 335 3HG1 VAL 42 3HG1 VAL 42 -5.425 -9.733 2.332 336 1HG2 VAL 42 1HG2 VAL 42 -7.473 -8.738 3.432 337 2HG2 VAL 42 2HG2 VAL 42 -8.653 -7.873 2.430 338 3HG2 VAL 42 3HG2 VAL 42 -8.357 -9.591 2.139 339 H ALA 43 H ALA 43 -5.663 -6.436 -0.617 340 HA ALA 43 HA ALA 43 -2.866 -6.887 -0.666 341 1HB ALA 43 1HB ALA 43 -4.248 -6.850 -2.692 342 2HB ALA 43 2HB ALA 43 -4.615 -5.124 -2.437 343 3HB ALA 43 3HB ALA 43 -2.963 -5.632 -2.811 344 H LEU 44 H LEU 44 -4.745 -4.077 0.188 345 HA LEU 44 HA LEU 44 -2.637 -2.144 0.233 346 1HB LEU 44 1HB LEU 44 -5.451 -2.247 1.252 347 2HB LEU 44 2HB LEU 44 -4.436 -0.925 1.711 348 HG LEU 44 HG LEU 44 -5.121 -1.647 -1.166 349 1HD1 LEU 44 1HD1 LEU 44 -6.484 0.432 -1.027 350 2HD1 LEU 44 2HD1 LEU 44 -7.042 -0.781 0.126 351 3HD1 LEU 44 3HD1 LEU 44 -6.066 0.589 0.690 352 1HD2 LEU 44 1HD2 LEU 44 -3.587 0.760 -0.094 353 2HD2 LEU 44 2HD2 LEU 44 -2.934 -0.537 -1.121 354 3HD2 LEU 44 3HD2 LEU 44 -4.161 0.523 -1.756 355 H ASN 45 H ASN 45 -4.041 -4.286 2.765 356 HA ASN 45 HA ASN 45 -2.300 -2.843 4.727 357 1HB ASN 45 1HB ASN 45 -4.713 -4.623 5.142 358 2HB ASN 45 2HB ASN 45 -3.635 -4.086 6.433 359 1HD2 ASN 45 1HD2 ASN 45 -5.899 -2.906 3.978 360 2HD2 ASN 45 2HD2 ASN 45 -6.177 -1.338 4.757 361 H ALA 46 H ALA 46 -1.440 -4.893 2.610 362 HA ALA 46 HA ALA 46 0.166 -6.479 4.486 363 1HB ALA 46 1HB ALA 46 0.093 -8.327 2.756 364 2HB ALA 46 2HB ALA 46 -1.495 -8.044 3.482 365 3HB ALA 46 3HB ALA 46 -1.151 -7.395 1.885 366 H TRP 47 H TRP 47 2.178 -7.123 3.572 367 HA TRP 47 HA TRP 47 3.129 -5.396 1.334 368 1HB TRP 47 1HB TRP 47 5.321 -5.458 2.255 369 2HB TRP 47 2HB TRP 47 4.216 -4.686 3.368 370 HD1 TRP 47 HD TRP 47 3.776 -5.926 5.718 371 HE1 TRP 47 1HE TRP 47 5.313 -7.463 7.088 372 HE3 TRP 47 3HE TRP 47 6.792 -7.700 1.951 373 HZ2 TRP 47 2HZ TRP 47 7.499 -9.224 6.639 374 HZ3 TRP 47 3HZ TRP 47 8.523 -9.409 2.475 375 HH2 TRP 47 HH TRP 47 8.848 -10.216 4.779 376 H LYS 48 H LYS 48 4.135 -6.492 -0.297 377 HA LYS 48 HA LYS 48 3.358 -9.331 -0.401 378 1HB LYS 48 1HB LYS 48 2.684 -7.733 -2.146 379 2HB LYS 48 2HB LYS 48 4.327 -7.340 -2.520 380 1HG LYS 48 1HG LYS 48 3.338 -10.177 -2.655 381 2HG LYS 48 2HG LYS 48 2.929 -9.078 -3.954 382 1HD LYS 48 1HD LYS 48 5.779 -9.798 -3.165 383 2HD LYS 48 2HD LYS 48 4.874 -10.478 -4.514 384 1HE LYS 48 1HE LYS 48 4.712 -8.266 -5.590 385 2HE LYS 48 2HE LYS 48 5.585 -7.541 -4.232 386 1HZ LYS 48 1HZ LYS 48 7.471 -8.914 -4.743 387 2HZ LYS 48 2HZ LYS 48 6.707 -9.593 -6.040 388 3HZ LYS 48 3HZ LYS 48 7.074 -8.001 -6.040 389 H GLU 49 H GLU 49 4.784 -10.979 -0.329 390 HA GLU 49 HA GLU 49 7.661 -10.404 -0.636 391 1HB GLU 49 1HB GLU 49 7.032 -10.973 1.737 392 2HB GLU 49 2HB GLU 49 6.336 -12.483 1.169 393 1HG GLU 49 1HG GLU 49 8.620 -12.738 2.118 394 2HG GLU 49 2HG GLU 49 8.483 -13.315 0.456 395 H GLU 50 H GLU 50 8.654 -12.000 -2.005 396 HA GLU 50 HA GLU 50 6.716 -13.722 -3.497 397 1HB GLU 50 1HB GLU 50 6.776 -11.882 -4.862 398 2HB GLU 50 2HB GLU 50 8.436 -11.479 -4.479 399 1HG GLU 50 1HG GLU 50 9.302 -13.255 -5.868 400 2HG GLU 50 2HG GLU 50 7.680 -13.938 -6.051 401 H SER 51 H SER 51 7.354 -15.704 -3.773 402 HA SER 51 HA SER 51 10.131 -16.520 -3.168 403 1HB SER 51 1HB SER 51 7.742 -18.330 -3.566 404 2HB SER 51 2HB SER 51 9.206 -18.635 -2.636 405 HG SER 51 HG SER 51 8.383 -16.882 -1.200 406 H ASP 52 H ASP 52 10.646 -18.414 -4.734 407 HA ASP 52 HA ASP 52 11.032 -17.749 -7.308 408 1HB ASP 52 1HB ASP 52 11.905 -19.748 -6.215 409 2HB ASP 52 2HB ASP 52 10.309 -20.485 -6.189 410 H ASN 53 H ASN 53 8.138 -19.564 -6.258 411 HA ASN 53 HA ASN 53 6.572 -18.623 -8.585 412 1HB ASN 53 1HB ASN 53 5.695 -20.908 -8.770 413 2HB ASN 53 2HB ASN 53 7.404 -20.805 -9.161 414 1HD2 ASN 53 1HD2 ASN 53 8.936 -21.821 -7.781 415 2HD2 ASN 53 2HD2 ASN 53 8.471 -22.963 -6.560 416 H ALA 54 H ALA 54 6.608 -17.953 -5.468 417 HA ALA 54 HA ALA 54 3.724 -18.407 -5.106 418 1HB ALA 54 1HB ALA 54 5.739 -18.824 -2.860 419 2HB ALA 54 2HB ALA 54 3.985 -18.964 -2.769 420 3HB ALA 54 3HB ALA 54 4.912 -20.143 -3.712 421 H VAL 55 H VAL 55 2.855 -16.779 -3.634 422 HA VAL 55 HA VAL 55 4.643 -14.472 -3.125 423 HB VAL 55 HB VAL 55 2.052 -14.260 -4.710 424 1HG1 VAL 55 1HG1 VAL 55 2.101 -12.419 -3.114 425 2HG1 VAL 55 2HG1 VAL 55 3.822 -12.151 -3.460 426 3HG1 VAL 55 3HG1 VAL 55 2.601 -11.782 -4.693 427 1HG2 VAL 55 1HG2 VAL 55 4.919 -13.382 -5.356 428 2HG2 VAL 55 2HG2 VAL 55 4.092 -14.743 -6.111 429 3HG2 VAL 55 3HG2 VAL 55 3.502 -13.107 -6.385 430 H CYS 56 H CYS 56 4.481 -14.065 -1.032 431 HA CYS 56 HA CYS 56 2.016 -14.930 0.432 432 1HB CYS 56 1HB CYS 56 4.857 -14.547 1.421 433 2HB CYS 56 2HB CYS 56 3.466 -14.932 2.446 434 HG CYS 56 HG CYS 56 4.658 -16.656 -0.126 435 H LEU 57 H LEU 57 0.721 -13.207 0.806 436 HA LEU 57 HA LEU 57 1.867 -10.484 0.989 437 1HB LEU 57 1HB LEU 57 -0.884 -11.661 0.653 438 2HB LEU 57 2HB LEU 57 -0.772 -10.097 1.457 439 HG LEU 57 HG LEU 57 0.667 -10.630 -1.168 440 1HD1 LEU 57 1HD1 LEU 57 -2.061 -9.308 -0.933 441 2HD1 LEU 57 2HD1 LEU 57 -1.117 -9.671 -2.404 442 3HD1 LEU 57 3HD1 LEU 57 -1.803 -10.983 -1.463 443 1HD2 LEU 57 1HD2 LEU 57 -0.383 -7.991 -0.054 444 2HD2 LEU 57 2HD2 LEU 57 1.246 -8.575 0.295 445 3HD2 LEU 57 3HD2 LEU 57 0.754 -8.263 -1.368 446 H HIS 58 H HIS 58 2.795 -10.042 2.836 447 HA HIS 58 HA HIS 58 2.092 -11.338 5.392 448 1HB HIS 58 1HB HIS 58 4.086 -9.215 4.555 449 2HB HIS 58 2HB HIS 58 3.865 -9.709 6.226 450 HD1 HIS 58 HD1 HIS 58 5.964 -11.224 6.858 451 HD2 HIS 58 HD2 HIS 58 4.568 -11.645 2.884 452 HE1 HIS 58 HE1 HIS 58 7.402 -12.980 5.760 453 HE2 HIS 58 HE2 HIS 58 6.501 -13.346 3.377 454 H LEU 59 H LEU 59 0.064 -10.711 5.899 455 HA LEU 59 HA LEU 59 -0.870 -7.947 5.534 456 1HB LEU 59 1HB LEU 59 -2.175 -10.050 4.899 457 2HB LEU 59 2HB LEU 59 -2.217 -10.453 6.604 458 HG LEU 59 HG LEU 59 -3.261 -7.819 6.551 459 1HD1 LEU 59 1HD1 LEU 59 -4.395 -9.440 4.237 460 2HD1 LEU 59 2HD1 LEU 59 -5.117 -7.961 4.912 461 3HD1 LEU 59 3HD1 LEU 59 -3.557 -7.879 4.108 462 1HD2 LEU 59 1HD2 LEU 59 -5.451 -9.103 6.865 463 2HD2 LEU 59 2HD2 LEU 59 -4.496 -10.590 6.629 464 3HD2 LEU 59 3HD2 LEU 59 -4.102 -9.509 7.970 465 H ARG 60 H ARG 60 -1.149 -6.523 7.120 466 HA ARG 60 HA ARG 60 0.145 -6.914 9.620 467 1HB ARG 60 1HB ARG 60 -1.822 -4.816 8.674 468 2HB ARG 60 2HB ARG 60 -1.023 -4.733 10.229 469 1HG ARG 60 1HG ARG 60 0.444 -4.799 7.557 470 2HG ARG 60 2HG ARG 60 0.082 -3.354 8.503 471 1HD ARG 60 1HD ARG 60 1.455 -4.264 10.401 472 2HD ARG 60 2HD ARG 60 1.831 -5.684 9.425 473 HE ARG 60 HE ARG 60 3.402 -4.580 8.337 474 1HH1 ARG 60 2HH2 ARG 60 1.535 -2.145 10.131 475 2HH1 ARG 60 1HH2 ARG 60 2.045 -0.815 9.134 476 1HH2 ARG 60 2HH1 ARG 60 4.414 -2.635 7.230 477 2HH2 ARG 60 1HH1 ARG 60 3.753 -1.081 7.639 478 H SER 61 H SER 61 -0.524 -7.655 11.520 479 HA SER 61 HA SER 61 -2.882 -9.099 11.855 480 1HB SER 61 1HB SER 61 -2.272 -9.045 14.228 481 2HB SER 61 2HB SER 61 -0.911 -9.466 13.177 482 HG SER 61 HG SER 61 -0.301 -7.998 14.769 483 H SER 62 H SER 62 -2.252 -5.666 12.295 484 HA SER 62 HA SER 62 -4.517 -5.032 13.958 485 1HB SER 62 1HB SER 62 -2.890 -3.302 12.046 486 2HB SER 62 2HB SER 62 -4.080 -2.698 13.210 487 HG SER 62 HG SER 62 -1.615 -4.003 13.652 488 H GLN 63 H GLN 63 -4.305 -5.847 10.609 489 HA GLN 63 HA GLN 63 -7.161 -5.044 10.249 490 1HB GLN 63 1HB GLN 63 -4.924 -4.864 8.196 491 2HB GLN 63 2HB GLN 63 -6.639 -4.677 7.854 492 1HG GLN 63 1HG GLN 63 -6.065 -2.481 8.079 493 2HG GLN 63 2HG GLN 63 -6.658 -2.847 9.682 494 1HE2 GLN 63 1HE2 GLN 63 -5.293 -0.693 10.009 495 2HE2 GLN 63 2HE2 GLN 63 -3.603 -0.973 10.404 496 H ARG 64 H ARG 64 -5.542 -7.680 11.018 497 HA ARG 64 HA ARG 64 -6.028 -9.380 8.834 498 1HB ARG 64 1HB ARG 64 -4.494 -9.952 10.609 499 2HB ARG 64 2HB ARG 64 -5.847 -10.237 11.719 500 1HG ARG 64 1HG ARG 64 -6.670 -12.048 10.341 501 2HG ARG 64 2HG ARG 64 -5.556 -11.636 9.027 502 1HD ARG 64 1HD ARG 64 -3.641 -12.257 10.425 503 2HD ARG 64 2HD ARG 64 -4.722 -12.733 11.742 504 HE ARG 64 HE ARG 64 -4.090 -14.188 9.314 505 1HH1 ARG 64 2HH2 ARG 64 -6.529 -13.906 11.864 506 2HH1 ARG 64 1HH2 ARG 64 -7.581 -15.121 11.224 507 1HH2 ARG 64 2HH1 ARG 64 -5.214 -16.117 8.724 508 2HH2 ARG 64 1HH1 ARG 64 -6.736 -16.473 9.447 509 H HIS 65 H HIS 65 -8.418 -8.110 10.988 510 HA HIS 65 HA HIS 65 -10.463 -10.007 10.488 511 1HB HIS 65 1HB HIS 65 -10.891 -7.001 10.659 512 2HB HIS 65 2HB HIS 65 -12.035 -8.270 11.066 513 HD1 HIS 65 HD1 HIS 65 -10.188 -5.869 12.896 514 HD2 HIS 65 HD2 HIS 65 -10.497 -10.090 13.088 515 HE1 HIS 65 HE1 HIS 65 -9.373 -6.587 15.238 516 HE2 HIS 65 HE2 HIS 65 -9.518 -9.164 15.321 517 H LEU 66 H LEU 66 -8.944 -7.814 8.177 518 HA LEU 66 HA LEU 66 -11.207 -7.892 6.311 519 1HB LEU 66 1HB LEU 66 -8.334 -6.885 6.114 520 2HB LEU 66 2HB LEU 66 -9.347 -7.050 4.705 521 HG LEU 66 HG LEU 66 -9.269 -4.751 5.498 522 1HD1 LEU 66 1HD1 LEU 66 -11.183 -5.439 4.208 523 2HD1 LEU 66 2HD1 LEU 66 -12.031 -6.002 5.658 524 3HD1 LEU 66 3HD1 LEU 66 -11.680 -4.278 5.440 525 1HD2 LEU 66 1HD2 LEU 66 -10.342 -3.998 7.516 526 2HD2 LEU 66 2HD2 LEU 66 -10.802 -5.653 7.956 527 3HD2 LEU 66 3HD2 LEU 66 -9.087 -5.173 7.936 528 H ASN 67 H ASN 67 -8.392 -9.928 7.075 529 HA ASN 67 HA ASN 67 -8.246 -11.043 4.384 530 1HB ASN 67 1HB ASN 67 -6.231 -11.102 5.567 531 2HB ASN 67 2HB ASN 67 -6.954 -11.920 6.984 532 1HD2 ASN 67 1HD2 ASN 67 -5.390 -13.830 6.772 533 2HD2 ASN 67 2HD2 ASN 67 -5.641 -14.898 5.413 534 H ASN 68 H ASN 68 -9.679 -12.237 3.616 535 HA ASN 68 HA ASN 68 -10.852 -14.488 5.131 536 1HB ASN 68 1HB ASN 68 -13.020 -14.224 4.074 537 2HB ASN 68 2HB ASN 68 -12.648 -12.794 5.026 538 1HD2 ASN 68 1HD2 ASN 68 -14.067 -13.647 2.115 539 2HD2 ASN 68 2HD2 ASN 68 -13.670 -12.173 1.286 540 H ARG 69 H ARG 69 -11.068 -16.351 3.867 541 HA ARG 69 HA ARG 69 -9.165 -16.477 1.735 542 1HB ARG 69 1HB ARG 69 -11.175 -18.481 2.798 543 2HB ARG 69 2HB ARG 69 -10.169 -18.810 1.385 544 1HG ARG 69 1HG ARG 69 -8.129 -18.156 2.842 545 2HG ARG 69 2HG ARG 69 -9.242 -18.145 4.218 546 1HD ARG 69 1HD ARG 69 -8.118 -20.284 4.145 547 2HD ARG 69 2HD ARG 69 -9.826 -20.502 3.732 548 HE ARG 69 HE ARG 69 -7.745 -20.189 1.613 549 1HH1 ARG 69 2HH2 ARG 69 -10.023 -22.389 3.207 550 2HH1 ARG 69 1HH2 ARG 69 -10.300 -23.395 1.844 551 1HH2 ARG 69 2HH1 ARG 69 -7.929 -21.597 -0.189 552 2HH2 ARG 69 1HH1 ARG 69 -8.956 -23.002 -0.100 553 H GLY 70 H GLY 70 -12.616 -15.874 1.613 554 1HA GLY 70 1HA GLY 70 -12.998 -16.293 -1.176 555 2HA GLY 70 2HA GLY 70 -13.915 -15.153 -0.178 556 H ALA 71 H ALA 71 -11.586 -13.478 0.612 557 HA ALA 71 HA ALA 71 -11.357 -11.843 -1.773 558 1HB ALA 71 1HB ALA 71 -11.424 -10.747 0.387 559 2HB ALA 71 2HB ALA 71 -10.000 -11.648 0.953 560 3HB ALA 71 3HB ALA 71 -9.839 -10.466 -0.352 561 H GLN 72 H GLN 72 -9.101 -13.876 0.170 562 HA GLN 72 HA GLN 72 -6.811 -13.662 -1.379 563 1HB GLN 72 1HB GLN 72 -6.900 -14.894 0.722 564 2HB GLN 72 2HB GLN 72 -7.908 -16.139 0.018 565 1HG GLN 72 1HG GLN 72 -5.120 -15.562 -1.046 566 2HG GLN 72 2HG GLN 72 -5.399 -16.615 0.341 567 1HE2 GLN 72 1HE2 GLN 72 -4.081 -17.771 -1.855 568 2HE2 GLN 72 2HE2 GLN 72 -5.206 -18.852 -2.631 569 H GLN 73 H GLN 73 -9.674 -15.675 -2.037 570 HA GLN 73 HA GLN 73 -8.578 -17.182 -4.142 571 1HB GLN 73 1HB GLN 73 -10.743 -17.552 -2.847 572 2HB GLN 73 2HB GLN 73 -11.489 -16.288 -3.820 573 1HG GLN 73 1HG GLN 73 -11.191 -17.614 -5.844 574 2HG GLN 73 2HG GLN 73 -10.188 -18.781 -4.949 575 1HE2 GLN 73 1HE2 GLN 73 -11.515 -20.635 -5.142 576 2HE2 GLN 73 2HE2 GLN 73 -13.140 -20.693 -4.433 577 H LYS 74 H LYS 74 -10.365 -14.095 -4.214 578 HA LYS 74 HA LYS 74 -10.156 -13.944 -7.123 579 1HB LYS 74 1HB LYS 74 -12.034 -12.895 -5.681 580 2HB LYS 74 2HB LYS 74 -10.846 -11.688 -5.198 581 1HG LYS 74 1HG LYS 74 -12.023 -10.655 -6.911 582 2HG LYS 74 2HG LYS 74 -10.562 -11.173 -7.726 583 1HD LYS 74 1HD LYS 74 -13.212 -12.690 -7.772 584 2HD LYS 74 2HD LYS 74 -12.741 -11.483 -8.971 585 1HE LYS 74 1HE LYS 74 -10.717 -12.932 -9.507 586 2HE LYS 74 2HE LYS 74 -11.439 -14.188 -8.472 587 1HZ LYS 74 1HZ LYS 74 -12.688 -13.062 -10.883 588 2HZ LYS 74 2HZ LYS 74 -11.966 -14.513 -10.774 589 3HZ LYS 74 3HZ LYS 74 -13.337 -14.241 -9.909 590 H LEU 75 H LEU 75 -8.365 -12.626 -4.352 591 HA LEU 75 HA LEU 75 -6.602 -10.946 -5.816 592 1HB LEU 75 1HB LEU 75 -6.895 -11.567 -3.125 593 2HB LEU 75 2HB LEU 75 -5.550 -12.478 -3.472 594 HG LEU 75 HG LEU 75 -5.913 -9.487 -3.872 595 1HD1 LEU 75 1HD1 LEU 75 -4.242 -11.013 -1.836 596 2HD1 LEU 75 2HD1 LEU 75 -4.364 -9.247 -1.971 597 3HD1 LEU 75 3HD1 LEU 75 -5.788 -10.197 -1.535 598 1HD2 LEU 75 1HD2 LEU 75 -4.290 -10.165 -5.559 599 2HD2 LEU 75 2HD2 LEU 75 -3.536 -9.206 -4.288 600 3HD2 LEU 75 3HD2 LEU 75 -3.301 -10.958 -4.319 601 H ALA 76 H ALA 76 -6.557 -14.500 -5.178 602 HA ALA 76 HA ALA 76 -3.946 -14.969 -6.161 603 1HB ALA 76 1HB ALA 76 -5.182 -16.576 -4.739 604 2HB ALA 76 2HB ALA 76 -6.338 -16.865 -6.058 605 3HB ALA 76 3HB ALA 76 -4.639 -17.329 -6.248 606 H GLU 77 H GLU 77 -7.120 -15.090 -7.778 607 HA GLU 77 HA GLU 77 -6.135 -15.821 -10.366 608 1HB GLU 77 1HB GLU 77 -8.498 -15.917 -9.655 609 2HB GLU 77 2HB GLU 77 -8.579 -14.162 -9.557 610 1HG GLU 77 1HG GLU 77 -8.558 -13.861 -11.859 611 2HG GLU 77 2HG GLU 77 -7.614 -15.326 -12.165 612 H ALA 78 H ALA 78 -6.619 -12.663 -8.753 613 HA ALA 78 HA ALA 78 -5.937 -11.046 -10.993 614 1HB ALA 78 1HB ALA 78 -5.875 -9.238 -9.439 615 2HB ALA 78 2HB ALA 78 -7.123 -10.327 -8.855 616 3HB ALA 78 3HB ALA 78 -5.528 -10.310 -8.066 617 H LEU 79 H LEU 79 -3.894 -12.349 -8.303 618 HA LEU 79 HA LEU 79 -1.458 -11.290 -9.339 619 1HB LEU 79 1HB LEU 79 -2.287 -13.003 -7.124 620 2HB LEU 79 2HB LEU 79 -0.865 -13.688 -7.891 621 HG LEU 79 HG LEU 79 -1.043 -10.752 -7.097 622 1HD1 LEU 79 1HD1 LEU 79 0.289 -11.342 -5.111 623 2HD1 LEU 79 2HD1 LEU 79 -1.345 -11.993 -5.101 624 3HD1 LEU 79 3HD1 LEU 79 0.023 -13.071 -5.468 625 1HD2 LEU 79 1HD2 LEU 79 1.395 -12.548 -7.572 626 2HD2 LEU 79 2HD2 LEU 79 0.735 -11.459 -8.788 627 3HD2 LEU 79 3HD2 LEU 79 1.401 -10.800 -7.285 628 H SER 80 H SER 80 -3.250 -14.259 -10.083 629 HA SER 80 HA SER 80 -1.126 -15.530 -11.572 630 1HB SER 80 1HB SER 80 -4.145 -15.862 -11.824 631 2HB SER 80 2HB SER 80 -2.913 -16.947 -12.474 632 HG SER 80 HG SER 80 -3.381 -16.307 -9.734 633 H MET 81 H MET 81 -3.759 -13.232 -12.400 634 HA MET 81 HA MET 81 -3.242 -13.084 -15.219 635 1HB MET 81 1HB MET 81 -5.354 -12.303 -14.147 636 2HB MET 81 2HB MET 81 -4.468 -11.027 -13.321 637 1HG MET 81 1HG MET 81 -5.585 -10.143 -15.284 638 2HG MET 81 2HG MET 81 -3.837 -10.015 -15.448 639 1HE MET 81 1HE MET 81 -4.584 -10.513 -19.170 640 2HE MET 81 2HE MET 81 -5.347 -9.440 -17.976 641 3HE MET 81 3HE MET 81 -3.584 -9.699 -17.956 642 H LEU 82 H LEU 82 -2.101 -11.288 -12.365 643 HA LEU 82 HA LEU 82 -0.660 -9.254 -13.671 644 1HB LEU 82 1HB LEU 82 -1.255 -9.347 -11.191 645 2HB LEU 82 2HB LEU 82 -0.034 -10.568 -10.993 646 HG LEU 82 HG LEU 82 1.680 -8.904 -11.913 647 1HD1 LEU 82 1HD1 LEU 82 -0.030 -7.294 -12.892 648 2HD1 LEU 82 2HD1 LEU 82 -0.451 -6.837 -11.225 649 3HD1 LEU 82 3HD1 LEU 82 1.179 -6.559 -11.860 650 1HD2 LEU 82 1HD2 LEU 82 1.536 -9.535 -9.572 651 2HD2 LEU 82 2HD2 LEU 82 1.911 -7.836 -9.720 652 3HD2 LEU 82 3HD2 LEU 82 0.260 -8.324 -9.283 653 H LYS 83 H LYS 83 0.532 -12.270 -12.197 654 HA LYS 83 HA LYS 83 3.230 -11.826 -13.053 655 1HB LYS 83 1HB LYS 83 2.310 -13.265 -11.085 656 2HB LYS 83 2HB LYS 83 2.031 -14.524 -12.287 657 1HG LYS 83 1HG LYS 83 4.120 -14.999 -11.233 658 2HG LYS 83 2HG LYS 83 4.528 -14.397 -12.841 659 1HD LYS 83 1HD LYS 83 4.955 -12.121 -11.825 660 2HD LYS 83 2HD LYS 83 4.580 -12.804 -10.227 661 1HE LYS 83 1HE LYS 83 6.439 -14.414 -10.494 662 2HE LYS 83 2HE LYS 83 6.796 -13.757 -12.098 663 1HZ LYS 83 1HZ LYS 83 7.283 -11.632 -11.031 664 2HZ LYS 83 2HZ LYS 83 7.008 -12.297 -9.527 665 3HZ LYS 83 3HZ LYS 83 8.234 -12.837 -10.465 666 H GLY 84 H GLY 84 0.513 -13.366 -14.646 667 1HA GLY 84 1HA GLY 84 0.377 -13.923 -16.900 668 2HA GLY 84 2HA GLY 84 2.124 -13.849 -17.057 669 H SER 85 H SER 85 1.632 -15.626 -14.297 670 HA SER 85 HA SER 85 1.358 -18.265 -15.547 671 1HB SER 85 1HB SER 85 3.727 -17.354 -13.847 672 2HB SER 85 2HB SER 85 3.373 -19.034 -14.286 673 HG SER 85 HG SER 85 4.023 -16.883 -16.059 674 H THR 86 H THR 86 1.423 -19.906 -13.514 675 HA THR 86 HA THR 86 -0.640 -19.275 -11.683 676 HB THR 86 HB THR 86 1.608 -21.336 -11.616 677 HG1 THR 86 1HG THR 86 -1.013 -21.574 -12.635 678 1HG2 THR 86 1HG2 THR 86 0.015 -22.789 -10.370 679 2HG2 THR 86 2HG2 THR 86 0.520 -21.370 -9.451 680 3HG2 THR 86 3HG2 THR 86 -1.088 -21.405 -10.201 681 H VAL 87 H VAL 87 -0.531 -18.592 -9.513 682 HA VAL 87 HA VAL 87 2.145 -18.147 -8.296 683 HB VAL 87 HB VAL 87 -0.208 -16.193 -8.267 684 1HG1 VAL 87 1HG1 VAL 87 2.515 -16.110 -6.917 685 2HG1 VAL 87 2HG1 VAL 87 1.399 -14.730 -7.013 686 3HG1 VAL 87 3HG1 VAL 87 0.932 -16.166 -6.112 687 1HG2 VAL 87 1HG2 VAL 87 0.997 -16.003 -10.393 688 2HG2 VAL 87 2HG2 VAL 87 1.364 -14.616 -9.372 689 3HG2 VAL 87 3HG2 VAL 87 2.551 -15.932 -9.537 690 H GLU 88 H GLU 88 2.233 -19.006 -6.220 691 HA GLU 88 HA GLU 88 -0.270 -20.111 -5.045 692 1HB GLU 88 1HB GLU 88 2.694 -20.413 -4.544 693 2HB GLU 88 2HB GLU 88 1.569 -20.729 -3.225 694 1HG GLU 88 1HG GLU 88 1.398 -22.036 -5.969 695 2HG GLU 88 2HG GLU 88 2.257 -22.717 -4.594 696 H LEU 89 H LEU 89 -1.285 -18.112 -4.746 697 HA LEU 89 HA LEU 89 0.050 -16.000 -3.249 698 1HB LEU 89 1HB LEU 89 -1.476 -15.230 -4.842 699 2HB LEU 89 2HB LEU 89 -2.755 -16.321 -4.274 700 HG LEU 89 HG LEU 89 -3.006 -15.098 -2.190 701 1HD1 LEU 89 1HD1 LEU 89 -1.044 -12.967 -3.079 702 2HD1 LEU 89 2HD1 LEU 89 -1.981 -13.104 -1.580 703 3HD1 LEU 89 3HD1 LEU 89 -0.642 -14.192 -1.864 704 1HD2 LEU 89 1HD2 LEU 89 -3.550 -12.823 -3.189 705 2HD2 LEU 89 2HD2 LEU 89 -2.982 -13.466 -4.735 706 3HD2 LEU 89 3HD2 LEU 89 -4.318 -14.273 -3.864 707 H THR 90 H THR 90 0.262 -16.045 -1.091 708 HA THR 90 HA THR 90 -1.768 -17.498 0.567 709 HB THR 90 HB THR 90 1.087 -16.973 1.375 710 HG1 THR 90 1HG THR 90 0.859 -18.226 -0.679 711 1HG2 THR 90 1HG2 THR 90 -0.867 -19.156 2.181 712 2HG2 THR 90 2HG2 THR 90 0.793 -18.964 2.790 713 3HG2 THR 90 3HG2 THR 90 -0.418 -17.733 3.155 714 H ILE 91 H ILE 91 -2.245 -16.368 2.586 715 HA ILE 91 HA ILE 91 -1.359 -13.501 2.688 716 HB ILE 91 HB ILE 91 -3.972 -14.468 3.859 717 1HG1 ILE 91 1HG1 ILE 91 -4.149 -14.943 1.421 718 2HG1 ILE 91 2HG1 ILE 91 -5.315 -13.842 2.098 719 1HG2 ILE 91 1HG2 ILE 91 -4.527 -12.029 3.682 720 2HG2 ILE 91 2HG2 ILE 91 -3.119 -12.367 4.706 721 3HG2 ILE 91 3HG2 ILE 91 -2.889 -11.732 3.066 722 1HD1 ILE 91 1HD1 ILE 91 -4.527 -13.156 -0.144 723 2HD1 ILE 91 2HD1 ILE 91 -4.230 -11.919 1.082 724 3HD1 ILE 91 3HD1 ILE 91 -2.887 -12.945 0.520 725 H VAL 92 H VAL 92 0.168 -13.534 4.318 726 HA VAL 92 HA VAL 92 -0.145 -15.537 6.522 727 HB VAL 92 HB VAL 92 2.224 -15.508 6.824 728 1HG1 VAL 92 1HG1 VAL 92 1.296 -17.081 5.128 729 2HG1 VAL 92 2HG1 VAL 92 1.679 -15.915 3.847 730 3HG1 VAL 92 3HG1 VAL 92 2.978 -16.642 4.809 731 1HG2 VAL 92 1HG2 VAL 92 2.435 -13.545 4.501 732 2HG2 VAL 92 2HG2 VAL 92 2.859 -13.247 6.207 733 3HG2 VAL 92 3HG2 VAL 92 3.796 -14.399 5.258 734 H GLU 93 H GLU 93 0.422 -14.632 8.739 735 HA GLU 93 HA GLU 93 -0.499 -11.810 8.835 736 1HB GLU 93 1HB GLU 93 -1.750 -13.498 10.115 737 2HB GLU 93 2HB GLU 93 -0.272 -13.957 10.974 738 1HG GLU 93 1HG GLU 93 -0.113 -11.716 11.983 739 2HG GLU 93 2HG GLU 93 -1.517 -11.177 11.047 740 H ASP 94 H ASP 94 0.879 -10.225 9.510 741 HA ASP 94 HA ASP 94 3.293 -10.834 11.031 742 1HB ASP 94 1HB ASP 94 4.139 -10.886 8.714 743 2HB ASP 94 2HB ASP 94 3.342 -9.340 8.391 744 H ASP 95 H ASP 95 4.105 -8.578 11.833 745 HA ASP 95 HA ASP 95 2.047 -6.484 11.767 746 1HB ASP 95 1HB ASP 95 1.812 -6.342 14.015 747 2HB ASP 95 2HB ASP 95 1.802 -8.083 13.803 748 H ASN 96 H ASN 96 5.423 -7.402 11.703 749 HA ASN 96 HA ASN 96 6.338 -5.085 13.132 750 1HB ASN 96 1HB ASN 96 7.646 -7.275 12.706 751 2HB ASN 96 2HB ASN 96 8.015 -6.605 11.108 752 1HD2 ASN 96 1HD2 ASN 96 8.206 -5.988 14.613 753 2HD2 ASN 96 2HD2 ASN 96 9.432 -4.734 14.551 754 HA PRO 97 HA PRO 97 5.868 -2.230 9.667 755 1HB PRO 97 1HB PRO 97 7.307 -0.072 10.572 756 2HB PRO 97 2HB PRO 97 5.701 -0.560 11.191 757 1HG PRO 97 1HG PRO 97 8.412 -1.185 12.375 758 2HG PRO 97 2HG PRO 97 6.952 -0.530 13.192 759 1HD PRO 97 1HD PRO 97 7.560 -3.170 13.252 760 2HD PRO 97 2HD PRO 97 5.867 -2.617 13.145 761 H ALA 98 H ALA 98 8.175 -4.251 9.788 762 HA ALA 98 HA ALA 98 10.600 -3.201 8.848 763 1HB ALA 98 1HB ALA 98 10.985 -5.558 8.055 764 2HB ALA 98 2HB ALA 98 10.363 -5.513 9.713 765 3HB ALA 98 3HB ALA 98 9.278 -5.910 8.364 766 H VAL 99 H VAL 99 7.735 -3.833 7.208 767 HA VAL 99 HA VAL 99 8.836 -2.672 4.735 768 HB VAL 99 HB VAL 99 7.111 -5.135 4.629 769 1HG1 VAL 99 1HG1 VAL 99 6.902 -3.686 2.627 770 2HG1 VAL 99 2HG1 VAL 99 8.672 -3.663 2.449 771 3HG1 VAL 99 3HG1 VAL 99 7.764 -5.166 2.219 772 1HG2 VAL 99 1HG2 VAL 99 9.269 -5.878 5.450 773 2HG2 VAL 99 2HG2 VAL 99 9.132 -6.326 3.749 774 3HG2 VAL 99 3HG2 VAL 99 10.119 -4.929 4.203 775 H ARG 100 H ARG 100 7.475 -1.464 3.600 776 HA ARG 100 HA ARG 100 5.183 -0.373 5.107 777 1HB ARG 100 1HB ARG 100 6.440 0.657 2.542 778 2HB ARG 100 2HB ARG 100 5.353 1.503 3.608 779 1HG ARG 100 1HG ARG 100 7.425 2.492 3.975 780 2HG ARG 100 2HG ARG 100 7.260 1.417 5.366 781 1HD ARG 100 1HD ARG 100 8.882 -0.134 4.444 782 2HD ARG 100 2HD ARG 100 8.789 0.624 2.846 783 HE ARG 100 HE ARG 100 9.680 2.449 4.905 784 1HH1 ARG 100 2HH2 ARG 100 10.995 -0.319 3.058 785 2HH1 ARG 100 1HH2 ARG 100 12.563 0.421 2.906 786 1HH2 ARG 100 2HH1 ARG 100 11.808 3.212 4.864 787 2HH2 ARG 100 1HH1 ARG 100 13.067 2.293 4.154 788 H THR 101 H THR 101 3.112 -0.868 4.390 789 HA THR 101 HA THR 101 2.692 -2.811 2.263 790 HB THR 101 HB THR 101 0.361 -2.530 3.027 791 HG1 THR 101 1HG THR 101 0.089 -1.056 4.885 792 1HG2 THR 101 1HG2 THR 101 0.539 -3.365 5.256 793 2HG2 THR 101 2HG2 THR 101 1.965 -3.954 4.391 794 3HG2 THR 101 3HG2 THR 101 2.112 -2.594 5.513 795 HA PRO 102 HA PRO 102 2.149 0.329 -0.824 796 1HB PRO 102 1HB PRO 102 -0.073 -0.212 -2.313 797 2HB PRO 102 2HB PRO 102 1.419 -1.202 -2.352 798 1HG PRO 102 1HG PRO 102 -1.086 -1.699 -0.854 799 2HG PRO 102 2HG PRO 102 -0.145 -2.867 -1.792 800 1HD PRO 102 1HD PRO 102 0.007 -2.629 0.954 801 2HD PRO 102 2HD PRO 102 1.418 -3.125 -0.003 802 H LEU 103 H LEU 103 -0.511 -0.176 1.417 803 HA LEU 103 HA LEU 103 -1.881 2.344 1.004 804 1HB LEU 103 1HB LEU 103 -2.874 0.422 2.125 805 2HB LEU 103 2HB LEU 103 -1.676 0.448 3.405 806 HG LEU 103 HG LEU 103 -3.475 2.848 2.939 807 1HD1 LEU 103 1HD1 LEU 103 -4.150 0.315 4.495 808 2HD1 LEU 103 2HD1 LEU 103 -5.068 1.836 4.583 809 3HD1 LEU 103 3HD1 LEU 103 -4.998 0.948 3.062 810 1HD2 LEU 103 1HD2 LEU 103 -1.670 3.155 4.618 811 2HD2 LEU 103 2HD2 LEU 103 -3.232 3.066 5.426 812 3HD2 LEU 103 3HD2 LEU 103 -2.151 1.660 5.433 813 H GLU 104 H GLU 104 0.659 1.094 3.276 814 HA GLU 104 HA GLU 104 1.034 3.666 4.498 815 1HB GLU 104 1HB GLU 104 2.595 1.069 4.533 816 2HB GLU 104 2HB GLU 104 3.151 2.539 5.343 817 1HG GLU 104 1HG GLU 104 1.102 2.698 6.650 818 2HG GLU 104 2HG GLU 104 0.412 1.312 5.815 819 H TRP 105 H TRP 105 2.608 2.094 1.682 820 HA TRP 105 HA TRP 105 4.779 3.885 1.558 821 1HB TRP 105 1HB TRP 105 3.367 2.190 -0.454 822 2HB TRP 105 2HB TRP 105 4.381 3.476 -1.063 823 HD1 TRP 105 HD TRP 105 4.697 0.026 -0.132 824 HE1 TRP 105 1HE TRP 105 7.154 -0.674 0.050 825 HE3 TRP 105 3HE TRP 105 6.779 4.665 0.013 826 HZ2 TRP 105 2HZ TRP 105 9.727 0.676 0.445 827 HZ3 TRP 105 3HZ TRP 105 9.235 4.952 0.189 828 HH2 TRP 105 HH TRP 105 10.714 2.963 0.481 829 H ARG 106 H ARG 106 1.428 4.444 0.474 830 HA ARG 106 HA ARG 106 1.831 7.041 -0.693 831 1HB ARG 106 1HB ARG 106 -0.275 5.792 -0.910 832 2HB ARG 106 2HB ARG 106 -0.526 5.850 0.835 833 1HG ARG 106 1HG ARG 106 -0.628 8.358 0.669 834 2HG ARG 106 2HG ARG 106 -0.702 8.188 -1.089 835 1HD ARG 106 1HD ARG 106 -2.671 6.913 0.879 836 2HD ARG 106 2HD ARG 106 -2.877 8.513 0.194 837 HE ARG 106 HE ARG 106 -3.501 7.704 -1.802 838 1HH1 ARG 106 2HH2 ARG 106 -2.218 4.924 0.015 839 2HH1 ARG 106 1HH2 ARG 106 -2.780 3.756 -1.146 840 1HH2 ARG 106 2HH1 ARG 106 -4.575 6.113 -3.074 841 2HH2 ARG 106 1HH1 ARG 106 -4.293 4.425 -2.779 842 H GLN 107 H GLN 107 1.136 6.038 2.630 843 HA GLN 107 HA GLN 107 1.064 8.645 3.827 844 1HB GLN 107 1HB GLN 107 -0.014 6.666 4.793 845 2HB GLN 107 2HB GLN 107 1.545 5.858 4.971 846 1HG GLN 107 1HG GLN 107 2.262 7.528 6.610 847 2HG GLN 107 2HG GLN 107 0.723 8.388 6.423 848 1HE2 GLN 107 1HE2 GLN 107 0.099 8.078 8.615 849 2HE2 GLN 107 2HE2 GLN 107 -0.372 6.504 9.259 850 H ALA 108 H ALA 108 3.660 6.259 3.293 851 HA ALA 108 HA ALA 108 5.610 7.509 4.883 852 1HB ALA 108 1HB ALA 108 5.783 5.151 4.159 853 2HB ALA 108 2HB ALA 108 5.906 5.661 2.457 854 3HB ALA 108 3HB ALA 108 7.197 6.066 3.586 855 H ILE 109 H ILE 109 4.922 7.714 1.361 856 HA ILE 109 HA ILE 109 6.987 9.669 0.818 857 HB ILE 109 HB ILE 109 4.531 8.677 -0.640 858 1HG1 ILE 109 1HG1 ILE 109 6.252 8.518 -2.530 859 2HG1 ILE 109 2HG1 ILE 109 7.484 9.034 -1.383 860 1HG2 ILE 109 1HG2 ILE 109 4.780 10.239 -2.450 861 2HG2 ILE 109 2HG2 ILE 109 4.455 11.148 -0.980 862 3HG2 ILE 109 3HG2 ILE 109 6.109 11.086 -1.613 863 1HD1 ILE 109 1HD1 ILE 109 5.798 6.514 -1.212 864 2HD1 ILE 109 2HD1 ILE 109 7.469 6.608 -1.773 865 3HD1 ILE 109 3HD1 ILE 109 7.088 6.978 -0.071 866 H TYR 110 H TYR 110 3.628 9.908 2.091 867 HA TYR 110 HA TYR 110 3.519 12.709 1.852 868 1HB TYR 110 1HB TYR 110 1.667 10.987 2.575 869 2HB TYR 110 2HB TYR 110 2.243 11.255 4.191 870 HD1 TYR 110 HD1 TYR 110 0.055 11.952 4.888 871 HD2 TYR 110 HD2 TYR 110 2.186 14.203 1.871 872 HE1 TYR 110 HE1 TYR 110 -1.629 13.773 5.030 873 HE2 TYR 110 HE2 TYR 110 0.515 15.955 1.962 874 HH TYR 110 HH TYR 110 -1.485 16.631 2.842 875 H GLU 111 H GLU 111 4.585 10.675 4.633 876 HA GLU 111 HA GLU 111 5.182 13.014 6.165 877 1HB GLU 111 1HB GLU 111 4.760 10.496 6.917 878 2HB GLU 111 2HB GLU 111 6.528 10.424 6.831 879 1HG GLU 111 1HG GLU 111 6.696 12.442 8.264 880 2HG GLU 111 2HG GLU 111 4.951 12.549 8.339 881 H GLU 112 H GLU 112 7.019 11.250 3.715 882 HA GLU 112 HA GLU 112 9.563 12.426 4.333 883 1HB GLU 112 1HB GLU 112 10.279 11.065 2.783 884 2HB GLU 112 2HB GLU 112 8.672 10.460 2.592 885 1HG GLU 112 1HG GLU 112 9.522 10.843 0.437 886 2HG GLU 112 2HG GLU 112 8.311 12.077 0.688 887 H LYS 113 H LYS 113 6.877 13.354 2.113 888 HA LYS 113 HA LYS 113 8.280 15.703 1.245 889 1HB LYS 113 1HB LYS 113 6.460 14.511 -0.045 890 2HB LYS 113 2HB LYS 113 5.272 15.233 1.062 891 1HG LYS 113 1HG LYS 113 6.116 17.500 0.426 892 2HG LYS 113 2HG LYS 113 7.281 16.754 -0.680 893 1HD LYS 113 1HD LYS 113 5.410 15.920 -2.044 894 2HD LYS 113 2HD LYS 113 4.253 16.590 -0.868 895 1HE LYS 113 1HE LYS 113 5.407 18.861 -1.243 896 2HE LYS 113 2HE LYS 113 6.246 18.121 -2.614 897 1HZ LYS 113 1HZ LYS 113 4.272 19.277 -3.312 898 2HZ LYS 113 2HZ LYS 113 4.039 17.689 -3.592 899 3HZ LYS 113 3HZ LYS 113 3.308 18.390 -2.306 900 H LEU 114 H LEU 114 6.228 15.034 3.953 901 HA LEU 114 HA LEU 114 5.713 17.838 4.701 902 1HB LEU 114 1HB LEU 114 5.359 15.197 6.161 903 2HB LEU 114 2HB LEU 114 5.052 16.747 6.926 904 HG LEU 114 HG LEU 114 3.635 15.957 4.348 905 1HD1 LEU 114 1HD1 LEU 114 2.692 15.487 7.212 906 2HD1 LEU 114 2HD1 LEU 114 1.719 15.266 5.734 907 3HD1 LEU 114 3HD1 LEU 114 3.124 14.236 6.022 908 1HD2 LEU 114 1HD2 LEU 114 1.978 17.614 5.077 909 2HD2 LEU 114 2HD2 LEU 114 2.919 17.944 6.547 910 3HD2 LEU 114 3HD2 LEU 114 3.568 18.364 4.946 911 H ALA 115 H ALA 115 8.097 15.248 5.415 912 HA ALA 115 HA ALA 115 9.497 16.817 7.423 913 1HB ALA 115 1HB ALA 115 10.447 14.502 5.674 914 2HB ALA 115 2HB ALA 115 11.355 15.229 6.998 915 3HB ALA 115 3HB ALA 115 9.821 14.406 7.339 916 H GLN 116 H GLN 116 9.731 16.378 3.872 917 HA GLN 116 HA GLN 116 11.988 18.119 3.560 918 1HB GLN 116 1HB GLN 116 9.820 17.222 1.635 919 2HB GLN 116 2HB GLN 116 11.117 18.306 1.143 920 1HG GLN 116 1HG GLN 116 11.586 15.528 2.318 921 2HG GLN 116 2HG GLN 116 11.546 15.910 0.599 922 1HE2 GLN 116 1HE2 GLN 116 13.621 15.746 3.366 923 2HE2 GLN 116 2HE2 GLN 116 15.008 16.478 2.603 924 H ALA 117 H ALA 117 8.561 18.784 3.796 925 HA ALA 117 HA ALA 117 8.726 21.577 3.107 926 1HB ALA 117 1HB ALA 117 6.740 20.276 5.023 927 2HB ALA 117 2HB ALA 117 6.585 21.845 4.217 928 3HB ALA 117 3HB ALA 117 6.565 20.359 3.256 929 H ARG 118 H ARG 118 9.165 19.805 6.206 930 HA ARG 118 HA ARG 118 9.661 22.191 7.758 931 1HB ARG 118 1HB ARG 118 9.060 20.251 8.954 932 2HB ARG 118 2HB ARG 118 10.279 19.251 8.183 933 1HG ARG 118 1HG ARG 118 12.087 20.392 9.347 934 2HG ARG 118 2HG ARG 118 10.961 21.602 9.985 935 1HD ARG 118 1HD ARG 118 9.765 19.754 11.217 936 2HD ARG 118 2HD ARG 118 10.968 18.611 10.600 937 HE ARG 118 HE ARG 118 12.469 19.320 12.147 938 1HH1 ARG 118 2HH2 ARG 118 9.921 21.824 11.932 939 2HH1 ARG 118 1HH2 ARG 118 10.495 22.708 13.299 940 1HH2 ARG 118 2HH1 ARG 118 13.199 20.528 14.021 941 2HH2 ARG 118 1HH1 ARG 118 12.322 21.907 14.539 942 H GLU 119 H GLU 119 11.852 19.987 5.922 943 HA GLU 119 HA GLU 119 14.229 21.421 6.650 944 1HB GLU 119 1HB GLU 119 13.688 20.041 3.981 945 2HB GLU 119 2HB GLU 119 15.262 20.485 4.626 946 1HG GLU 119 1HG GLU 119 13.427 18.312 5.688 947 2HG GLU 119 2HG GLU 119 14.888 18.095 4.754 948 H SER 120 H SER 120 11.833 21.920 4.059 949 HA SER 120 HA SER 120 13.019 24.070 2.722 950 1HB SER 120 1HB SER 120 10.763 22.709 2.294 951 2HB SER 120 2HB SER 120 10.032 24.041 3.195 952 HG SER 120 HG SER 120 10.895 25.487 1.731 953 H ILE 121 H ILE 121 10.561 24.252 5.378 954 HA ILE 121 HA ILE 121 10.545 26.972 5.817 955 HB ILE 121 HB ILE 121 10.309 24.638 7.739 956 1HG1 ILE 121 1HG1 ILE 121 8.179 26.537 6.662 957 2HG1 ILE 121 2HG1 ILE 121 8.612 25.038 5.854 958 1HG2 ILE 121 1HG2 ILE 121 9.291 26.130 9.403 959 2HG2 ILE 121 2HG2 ILE 121 10.956 26.595 9.116 960 3HG2 ILE 121 3HG2 ILE 121 9.655 27.545 8.377 961 1HD1 ILE 121 1HD1 ILE 121 8.058 23.785 7.978 962 2HD1 ILE 121 2HD1 ILE 121 7.357 25.302 8.597 963 3HD1 ILE 121 3HD1 ILE 121 6.703 24.548 7.135 964 H ILE 122 H ILE 122 12.925 24.619 7.146 965 HA ILE 122 HA ILE 122 14.152 26.572 8.803 966 HB ILE 122 HB ILE 122 14.815 23.809 7.887 967 1HG1 ILE 122 1HG1 ILE 122 14.070 24.997 10.632 968 2HG1 ILE 122 2HG1 ILE 122 12.841 24.495 9.481 969 1HG2 ILE 122 1HG2 ILE 122 16.561 23.643 9.659 970 2HG2 ILE 122 2HG2 ILE 122 17.011 24.787 8.413 971 3HG2 ILE 122 3HG2 ILE 122 16.408 25.392 9.964 972 1HD1 ILE 122 1HD1 ILE 122 14.887 22.721 10.750 973 2HD1 ILE 122 2HD1 ILE 122 13.130 22.765 11.035 974 3HD1 ILE 122 3HD1 ILE 122 13.764 22.224 9.454 975 H ALA 123 H ALA 123 14.512 26.153 5.392 976 HA ALA 123 HA ALA 123 16.838 27.836 5.438 977 1HB ALA 123 1HB ALA 123 17.464 26.983 3.256 978 2HB ALA 123 2HB ALA 123 17.261 25.641 4.386 979 3HB ALA 123 3HB ALA 123 15.980 26.009 3.193 980 H ASP 124 H ASP 124 13.561 27.604 4.504 981 HA ASP 124 HA ASP 124 13.389 29.769 2.598 982 1HB ASP 124 1HB ASP 124 11.302 28.412 4.362 983 2HB ASP 124 2HB ASP 124 10.940 29.669 3.194 984 H ASN 125 H ASN 125 12.778 29.329 6.160 985 HA ASN 125 HA ASN 125 12.560 32.251 6.608 986 1HB ASN 125 1HB ASN 125 12.343 29.796 8.420 987 2HB ASN 125 2HB ASN 125 12.487 31.429 9.042 988 1HD2 ASN 125 1HD2 ASN 125 10.874 33.045 8.441 989 2HD2 ASN 125 2HD2 ASN 125 9.229 32.517 8.126 990 H ASN 126 H ASN 126 14.625 32.157 5.402 991 HA ASN 126 HA ASN 126 16.974 30.947 6.227 992 1HB ASN 126 1HB ASN 126 16.337 32.306 4.059 993 2HB ASN 126 2HB ASN 126 17.039 33.681 4.923 994 1HD2 ASN 126 1HD2 ASN 126 17.657 30.319 3.870 995 2HD2 ASN 126 2HD2 ASN 126 19.411 30.533 3.714 996 H ILE 127 H ILE 127 15.706 34.037 7.385 997 HA ILE 127 HA ILE 127 17.742 34.073 9.522 998 HB ILE 127 HB ILE 127 18.057 36.497 9.204 999 1HG1 ILE 127 1HG1 ILE 127 16.707 36.178 6.484 1000 2HG1 ILE 127 2HG1 ILE 127 15.961 36.939 7.890 1001 1HG2 ILE 127 1HG2 ILE 127 18.910 34.962 6.713 1002 2HG2 ILE 127 2HG2 ILE 127 19.733 36.338 7.473 1003 3HG2 ILE 127 3HG2 ILE 127 19.664 34.782 8.304 1004 1HD1 ILE 127 1HD1 ILE 127 17.791 38.635 7.937 1005 2HD1 ILE 127 2HD1 ILE 127 18.431 37.936 6.429 1006 3HD1 ILE 127 3HD1 ILE 127 16.819 38.663 6.451 1007 H GLN 128 H GLN 128 14.397 34.425 8.561 1008 HA GLN 128 HA GLN 128 13.533 34.852 11.178 1009 1HB GLN 128 1HB GLN 128 14.073 37.301 10.079 1010 2HB GLN 128 2HB GLN 128 12.582 36.954 9.215 1011 1HG GLN 128 1HG GLN 128 11.864 38.156 11.074 1012 2HG GLN 128 2HG GLN 128 11.533 36.497 11.549 1013 1HE2 GLN 128 1HE2 GLN 128 14.789 36.383 11.997 1014 2HE2 GLN 128 2HE2 GLN 128 14.857 37.090 13.602 Start of MODEL 17 1 1H MET 1 H MET 1 -6.962 21.412 -8.174 2 HA MET 1 HA MET 1 -9.141 21.011 -8.994 3 1HB MET 1 1HB MET 1 -7.194 20.395 -10.440 4 2HB MET 1 2HB MET 1 -7.212 18.765 -9.757 5 1HG MET 1 1HG MET 1 -8.386 18.632 -11.808 6 2HG MET 1 2HG MET 1 -9.610 18.536 -10.554 7 1HE MET 1 1HE MET 1 -8.385 19.917 -13.676 8 2HE MET 1 2HE MET 1 -9.008 21.557 -13.874 9 3HE MET 1 3HE MET 1 -7.651 21.260 -12.768 10 H LYS 2 H LYS 2 -10.919 20.303 -8.033 11 HA LYS 2 HA LYS 2 -12.567 18.806 -7.369 12 1HB LYS 2 1HB LYS 2 -10.429 16.905 -6.355 13 2HB LYS 2 2HB LYS 2 -12.149 16.679 -6.266 14 1HG LYS 2 1HG LYS 2 -12.376 15.899 -8.313 15 2HG LYS 2 2HG LYS 2 -11.339 17.097 -9.061 16 1HD LYS 2 1HD LYS 2 -9.421 15.847 -8.852 17 2HD LYS 2 2HD LYS 2 -9.957 14.977 -7.419 18 1HE LYS 2 1HE LYS 2 -11.045 14.522 -10.226 19 2HE LYS 2 2HE LYS 2 -9.754 13.570 -9.472 20 1HZ LYS 2 1HZ LYS 2 -11.888 12.489 -9.182 21 2HZ LYS 2 2HZ LYS 2 -11.333 12.996 -7.703 22 3HZ LYS 2 3HZ LYS 2 -12.514 13.820 -8.472 23 H ALA 3 H ALA 3 -12.731 17.834 -4.758 24 HA ALA 3 HA ALA 3 -11.445 19.604 -2.904 25 1HB ALA 3 1HB ALA 3 -14.454 19.909 -3.438 26 2HB ALA 3 2HB ALA 3 -13.576 20.659 -2.095 27 3HB ALA 3 3HB ALA 3 -13.213 21.146 -3.756 28 H LEU 4 H LEU 4 -12.370 19.165 -0.742 29 HA LEU 4 HA LEU 4 -13.811 18.063 0.749 30 1HB LEU 4 1HB LEU 4 -13.542 15.596 -0.904 31 2HB LEU 4 2HB LEU 4 -13.664 15.477 0.827 32 HG LEU 4 HG LEU 4 -15.649 16.953 0.885 33 1HD1 LEU 4 1HD1 LEU 4 -17.014 17.194 -1.146 34 2HD1 LEU 4 2HD1 LEU 4 -15.507 18.096 -1.288 35 3HD1 LEU 4 3HD1 LEU 4 -15.692 16.540 -2.133 36 1HD2 LEU 4 1HD2 LEU 4 -17.175 15.193 0.209 37 2HD2 LEU 4 2HD2 LEU 4 -15.862 14.390 -0.704 38 3HD2 LEU 4 3HD2 LEU 4 -15.770 14.546 1.072 39 H GLU 5 H GLU 5 -11.641 19.337 1.144 40 HA GLU 5 HA GLU 5 -9.445 17.905 2.318 41 1HB GLU 5 1HB GLU 5 -10.482 20.749 2.390 42 2HB GLU 5 2HB GLU 5 -9.215 20.229 3.500 43 1HG GLU 5 1HG GLU 5 -7.835 19.450 1.651 44 2HG GLU 5 2HG GLU 5 -9.032 20.002 0.472 45 H HIS 6 H HIS 6 -10.005 16.526 3.724 46 HA HIS 6 HA HIS 6 -11.467 17.283 6.211 47 1HB HIS 6 1HB HIS 6 -12.844 15.848 4.538 48 2HB HIS 6 2HB HIS 6 -11.769 14.527 4.936 49 HD1 HIS 6 HD1 HIS 6 -12.432 13.175 7.077 50 HD2 HIS 6 HD2 HIS 6 -14.249 16.996 6.730 51 HE1 HIS 6 HE1 HIS 6 -14.259 13.316 8.903 52 HE2 HIS 6 HE2 HIS 6 -15.324 15.654 8.706 53 H GLU 7 H GLU 7 -9.650 14.458 4.886 54 HA GLU 7 HA GLU 7 -7.777 14.569 7.218 55 1HB GLU 7 1HB GLU 7 -8.233 12.442 5.097 56 2HB GLU 7 2HB GLU 7 -7.076 12.351 6.416 57 1HG GLU 7 1HG GLU 7 -8.629 11.224 7.559 58 2HG GLU 7 2HG GLU 7 -9.458 12.766 7.792 59 H LYS 8 H LYS 8 -7.426 16.716 5.823 60 HA LYS 8 HA LYS 8 -6.198 17.976 4.598 61 1HB LYS 8 1HB LYS 8 -4.416 16.330 5.602 62 2HB LYS 8 2HB LYS 8 -4.223 15.793 3.929 63 1HG LYS 8 1HG LYS 8 -3.475 17.932 3.233 64 2HG LYS 8 2HG LYS 8 -4.188 18.756 4.642 65 1HD LYS 8 1HD LYS 8 -2.554 17.835 6.141 66 2HD LYS 8 2HD LYS 8 -1.931 16.767 4.862 67 1HE LYS 8 1HE LYS 8 -1.343 18.799 3.525 68 2HE LYS 8 2HE LYS 8 -1.891 19.826 4.846 69 1HZ LYS 8 1HZ LYS 8 0.309 17.854 5.136 70 2HZ LYS 8 2HZ LYS 8 0.514 19.483 4.829 71 3HZ LYS 8 3HZ LYS 8 -0.160 18.979 6.222 72 H THR 9 H THR 9 -5.095 17.954 2.238 73 HA THR 9 HA THR 9 -7.195 17.905 0.372 74 HB THR 9 HB THR 9 -5.167 17.974 -1.278 75 HG1 THR 9 1HG THR 9 -3.765 17.089 0.399 76 1HG2 THR 9 1HG2 THR 9 -5.381 20.103 0.882 77 2HG2 THR 9 2HG2 THR 9 -4.724 20.299 -0.759 78 3HG2 THR 9 3HG2 THR 9 -6.444 19.972 -0.543 79 HA PRO 10 HA PRO 10 -6.963 13.425 -0.452 80 1HB PRO 10 1HB PRO 10 -9.322 13.100 -1.776 81 2HB PRO 10 2HB PRO 10 -9.230 13.232 0.011 82 1HG PRO 10 1HG PRO 10 -9.822 15.411 -1.993 83 2HG PRO 10 2HG PRO 10 -10.755 15.000 -0.529 84 1HD PRO 10 1HD PRO 10 -8.920 17.014 -0.550 85 2HD PRO 10 2HD PRO 10 -9.118 15.969 0.863 86 H GLU 11 H GLU 11 -7.263 16.260 -2.472 87 HA GLU 11 HA GLU 11 -6.809 15.150 -5.062 88 1HB GLU 11 1HB GLU 11 -5.966 17.845 -3.858 89 2HB GLU 11 2HB GLU 11 -5.930 17.414 -5.553 90 1HG GLU 11 1HG GLU 11 -7.893 18.708 -5.244 91 2HG GLU 11 2HG GLU 11 -8.399 17.019 -5.467 92 H LEU 12 H LEU 12 -4.642 16.501 -2.583 93 HA LEU 12 HA LEU 12 -2.195 15.959 -3.967 94 1HB LEU 12 1HB LEU 12 -2.591 17.586 -2.000 95 2HB LEU 12 2HB LEU 12 -2.532 16.176 -0.949 96 HG LEU 12 HG LEU 12 -0.448 17.378 -0.949 97 1HD1 LEU 12 1HD1 LEU 12 0.170 14.884 -2.522 98 2HD1 LEU 12 2HD1 LEU 12 1.144 15.624 -1.293 99 3HD1 LEU 12 3HD1 LEU 12 -0.366 14.824 -0.814 100 1HD2 LEU 12 1HD2 LEU 12 -0.129 16.766 -3.917 101 2HD2 LEU 12 2HD2 LEU 12 -0.602 18.337 -3.245 102 3HD2 LEU 12 3HD2 LEU 12 0.989 17.653 -2.876 103 H ALA 13 H ALA 13 -4.108 14.217 -1.499 104 HA ALA 13 HA ALA 13 -2.258 12.090 -1.080 105 1HB ALA 13 1HB ALA 13 -5.283 12.024 -0.795 106 2HB ALA 13 2HB ALA 13 -4.130 10.890 -0.074 107 3HB ALA 13 3HB ALA 13 -4.141 12.586 0.451 108 H ALA 14 H ALA 14 -4.795 12.590 -3.537 109 HA ALA 14 HA ALA 14 -4.530 9.972 -4.729 110 1HB ALA 14 1HB ALA 14 -5.759 11.052 -6.619 111 2HB ALA 14 2HB ALA 14 -6.555 11.228 -5.054 112 3HB ALA 14 3HB ALA 14 -5.680 12.596 -5.747 113 H LYS 15 H LYS 15 -2.752 13.028 -5.110 114 HA LYS 15 HA LYS 15 -1.372 12.067 -7.566 115 1HB LYS 15 1HB LYS 15 -1.118 14.504 -5.777 116 2HB LYS 15 2HB LYS 15 0.286 14.006 -6.702 117 1HG LYS 15 1HG LYS 15 -2.415 14.725 -7.895 118 2HG LYS 15 2HG LYS 15 -0.961 15.722 -7.856 119 1HD LYS 15 1HD LYS 15 0.104 13.511 -9.009 120 2HD LYS 15 2HD LYS 15 -1.577 13.330 -9.546 121 1HE LYS 15 1HE LYS 15 -1.442 15.721 -10.414 122 2HE LYS 15 2HE LYS 15 0.270 15.731 -9.965 123 1HZ LYS 15 1HZ LYS 15 -1.048 14.075 -12.002 124 2HZ LYS 15 2HZ LYS 15 0.133 15.184 -12.231 125 3HZ LYS 15 3HZ LYS 15 0.505 13.767 -11.483 126 H LEU 16 H LEU 16 -0.739 12.422 -4.139 127 HA LEU 16 HA LEU 16 1.927 11.626 -4.002 128 1HB LEU 16 1HB LEU 16 0.471 12.789 -2.290 129 2HB LEU 16 2HB LEU 16 -0.381 11.291 -2.043 130 HG LEU 16 HG LEU 16 0.954 11.580 -0.187 131 1HD1 LEU 16 1HD1 LEU 16 2.466 9.770 -0.020 132 2HD1 LEU 16 2HD1 LEU 16 1.159 9.234 -1.077 133 3HD1 LEU 16 3HD1 LEU 16 2.738 9.705 -1.757 134 1HD2 LEU 16 1HD2 LEU 16 3.166 12.247 -2.157 135 2HD2 LEU 16 2HD2 LEU 16 2.336 13.351 -1.043 136 3HD2 LEU 16 3HD2 LEU 16 3.407 12.106 -0.414 137 H ALA 17 H ALA 17 -1.144 9.746 -3.998 138 HA ALA 17 HA ALA 17 -0.084 7.197 -3.581 139 1HB ALA 17 1HB ALA 17 -2.534 7.740 -3.721 140 2HB ALA 17 2HB ALA 17 -2.363 7.941 -5.478 141 3HB ALA 17 3HB ALA 17 -2.076 6.357 -4.731 142 H ALA 18 H ALA 18 -0.153 9.080 -6.655 143 HA ALA 18 HA ALA 18 0.938 6.964 -8.268 144 1HB ALA 18 1HB ALA 18 -0.228 8.985 -9.179 145 2HB ALA 18 2HB ALA 18 1.188 9.960 -8.720 146 3HB ALA 18 3HB ALA 18 1.372 8.666 -9.901 147 H GLU 19 H GLU 19 2.340 9.664 -6.389 148 HA GLU 19 HA GLU 19 5.045 9.272 -7.155 149 1HB GLU 19 1HB GLU 19 3.957 10.425 -4.539 150 2HB GLU 19 2HB GLU 19 5.600 10.595 -5.139 151 1HG GLU 19 1HG GLU 19 4.603 11.682 -7.228 152 2HG GLU 19 2HG GLU 19 3.067 11.736 -6.369 153 H ALA 20 H ALA 20 3.198 7.829 -4.411 154 HA ALA 20 HA ALA 20 5.281 6.188 -3.420 155 1HB ALA 20 1HB ALA 20 3.202 6.810 -2.172 156 2HB ALA 20 2HB ALA 20 2.225 5.888 -3.331 157 3HB ALA 20 3HB ALA 20 3.381 5.044 -2.286 158 H ILE 21 H ILE 21 2.611 5.558 -5.719 159 HA ILE 21 HA ILE 21 3.063 2.820 -6.185 160 HB ILE 21 HB ILE 21 1.732 5.109 -7.602 161 1HG1 ILE 21 1HG1 ILE 21 0.762 2.335 -6.873 162 2HG1 ILE 21 2HG1 ILE 21 0.704 3.712 -5.778 163 1HG2 ILE 21 1HG2 ILE 21 1.004 3.689 -9.535 164 2HG2 ILE 21 2HG2 ILE 21 2.681 4.201 -9.554 165 3HG2 ILE 21 3HG2 ILE 21 2.285 2.553 -9.078 166 1HD1 ILE 21 1HD1 ILE 21 -0.842 3.386 -8.375 167 2HD1 ILE 21 2HD1 ILE 21 -1.457 3.463 -6.724 168 3HD1 ILE 21 3HD1 ILE 21 -0.736 4.912 -7.448 169 H GLU 22 H GLU 22 4.584 5.645 -7.805 170 HA GLU 22 HA GLU 22 5.769 3.980 -9.761 171 1HB GLU 22 1HB GLU 22 5.458 6.468 -9.901 172 2HB GLU 22 2HB GLU 22 6.683 6.676 -8.664 173 1HG GLU 22 1HG GLU 22 7.704 7.051 -10.834 174 2HG GLU 22 2HG GLU 22 8.383 5.562 -10.151 175 H ARG 23 H ARG 23 6.725 4.781 -6.461 176 HA ARG 23 HA ARG 23 9.378 3.588 -6.615 177 1HB ARG 23 1HB ARG 23 8.557 5.465 -4.966 178 2HB ARG 23 2HB ARG 23 7.817 4.158 -4.055 179 1HG ARG 23 1HG ARG 23 10.026 3.075 -3.773 180 2HG ARG 23 2HG ARG 23 10.769 4.309 -4.823 181 1HD ARG 23 1HD ARG 23 9.955 6.059 -3.222 182 2HD ARG 23 2HD ARG 23 9.417 4.770 -2.137 183 HE ARG 23 HE ARG 23 12.109 4.249 -2.742 184 1HH1 ARG 23 2HH2 ARG 23 10.365 6.995 -1.287 185 2HH1 ARG 23 1HH2 ARG 23 11.491 7.171 0.030 186 1HH2 ARG 23 2HH1 ARG 23 13.878 4.940 -1.321 187 2HH2 ARG 23 1HH1 ARG 23 13.585 6.219 -0.204 188 H ASP 24 H ASP 24 6.128 2.594 -5.425 189 HA ASP 24 HA ASP 24 7.236 0.058 -4.422 190 1HB ASP 24 1HB ASP 24 5.743 1.267 -2.916 191 2HB ASP 24 2HB ASP 24 4.466 1.210 -4.095 192 HA PRO 25 HA PRO 25 5.685 -1.557 -8.394 193 1HB PRO 25 1HB PRO 25 6.677 -4.114 -8.185 194 2HB PRO 25 2HB PRO 25 7.641 -2.706 -8.716 195 1HG PRO 25 1HG PRO 25 7.486 -3.916 -5.940 196 2HG PRO 25 2HG PRO 25 8.949 -3.434 -6.856 197 1HD PRO 25 1HD PRO 25 7.868 -1.842 -4.978 198 2HD PRO 25 2HD PRO 25 8.572 -1.151 -6.477 199 H TRP 26 H TRP 26 5.116 -2.734 -5.050 200 HA TRP 26 HA TRP 26 3.020 -4.565 -5.950 201 1HB TRP 26 1HB TRP 26 4.113 -5.002 -3.824 202 2HB TRP 26 2HB TRP 26 3.598 -3.437 -3.195 203 HD1 TRP 26 HD TRP 26 1.578 -3.546 -1.794 204 HE1 TRP 26 1HE TRP 26 -0.502 -5.018 -1.461 205 HE3 TRP 26 3HE TRP 26 2.444 -6.761 -5.573 206 HZ2 TRP 26 2HZ TRP 26 -1.580 -7.502 -2.776 207 HZ3 TRP 26 3HZ TRP 26 1.052 -8.798 -5.894 208 HH2 TRP 26 HH TRP 26 -1.018 -9.091 -4.580 209 H ALA 27 H ALA 27 3.042 -1.233 -4.424 210 HA ALA 27 HA ALA 27 0.280 -0.825 -4.633 211 1HB ALA 27 1HB ALA 27 0.794 1.558 -4.581 212 2HB ALA 27 2HB ALA 27 1.920 0.726 -3.494 213 3HB ALA 27 3HB ALA 27 2.470 1.226 -5.084 214 H ALA 28 H ALA 28 2.835 -0.320 -7.113 215 HA ALA 28 HA ALA 28 1.157 0.753 -9.138 216 1HB ALA 28 1HB ALA 28 3.683 0.727 -9.228 217 2HB ALA 28 2HB ALA 28 3.636 -1.022 -9.474 218 3HB ALA 28 3HB ALA 28 2.940 0.060 -10.693 219 H GLN 29 H GLN 29 2.131 -2.594 -8.359 220 HA GLN 29 HA GLN 29 0.687 -3.854 -10.459 221 1HB GLN 29 1HB GLN 29 1.752 -4.803 -7.802 222 2HB GLN 29 2HB GLN 29 0.729 -5.824 -8.787 223 1HG GLN 29 1HG GLN 29 2.249 -5.835 -10.630 224 2HG GLN 29 2HG GLN 29 3.273 -4.608 -9.891 225 1HE2 GLN 29 1HE2 GLN 29 4.895 -6.521 -10.398 226 2HE2 GLN 29 2HE2 GLN 29 5.088 -7.707 -9.129 227 H VAL 30 H VAL 30 -0.373 -2.951 -7.095 228 HA VAL 30 HA VAL 30 -2.884 -4.274 -7.383 229 HB VAL 30 HB VAL 30 -2.087 -1.875 -5.648 230 1HG1 VAL 30 1HG1 VAL 30 -4.525 -1.774 -5.878 231 2HG1 VAL 30 2HG1 VAL 30 -4.663 -3.505 -5.501 232 3HG1 VAL 30 3HG1 VAL 30 -4.112 -2.346 -4.267 233 1HG2 VAL 30 1HG2 VAL 30 -2.520 -4.809 -4.925 234 2HG2 VAL 30 2HG2 VAL 30 -0.956 -3.981 -5.002 235 3HG2 VAL 30 3HG2 VAL 30 -2.119 -3.505 -3.784 236 H SER 31 H SER 31 -1.827 -1.045 -8.380 237 HA SER 31 HA SER 31 -4.367 -0.145 -9.273 238 1HB SER 31 1HB SER 31 -1.944 1.005 -8.996 239 2HB SER 31 2HB SER 31 -1.790 0.579 -10.701 240 HG SER 31 HG SER 31 -3.191 2.021 -11.207 241 H GLN 32 H GLN 32 -1.883 -2.181 -10.718 242 HA GLN 32 HA GLN 32 -2.992 -2.166 -13.407 243 1HB GLN 32 1HB GLN 32 -0.605 -2.277 -12.896 244 2HB GLN 32 2HB GLN 32 -0.816 -3.790 -12.023 245 1HG GLN 32 1HG GLN 32 -1.226 -5.032 -14.001 246 2HG GLN 32 2HG GLN 32 -1.458 -3.553 -14.958 247 1HE2 GLN 32 1HE2 GLN 32 1.096 -5.484 -13.204 248 2HE2 GLN 32 2HE2 GLN 32 2.418 -4.640 -14.001 249 H LEU 33 H LEU 33 -3.282 -4.159 -10.540 250 HA LEU 33 HA LEU 33 -4.730 -6.372 -11.834 251 1HB LEU 33 1HB LEU 33 -4.461 -5.530 -8.915 252 2HB LEU 33 2HB LEU 33 -5.290 -6.981 -9.497 253 HG LEU 33 HG LEU 33 -2.317 -6.434 -9.465 254 1HD1 LEU 33 1HD1 LEU 33 -2.268 -8.510 -8.172 255 2HD1 LEU 33 2HD1 LEU 33 -3.298 -7.297 -7.406 256 3HD1 LEU 33 3HD1 LEU 33 -4.026 -8.653 -8.292 257 1HD2 LEU 33 1HD2 LEU 33 -2.668 -7.367 -11.625 258 2HD2 LEU 33 2HD2 LEU 33 -2.126 -8.683 -10.568 259 3HD2 LEU 33 3HD2 LEU 33 -3.846 -8.545 -11.013 260 H SER 34 H SER 34 -5.371 -3.407 -10.242 261 HA SER 34 HA SER 34 -7.197 -2.168 -9.688 262 1HB SER 34 1HB SER 34 -8.516 -3.374 -12.129 263 2HB SER 34 2HB SER 34 -8.862 -1.816 -11.373 264 HG SER 34 HG SER 34 -6.301 -1.703 -11.935 265 H LEU 35 H LEU 35 -7.089 -3.945 -7.950 266 HA LEU 35 HA LEU 35 -9.112 -5.915 -7.668 267 1HB LEU 35 1HB LEU 35 -7.377 -4.347 -5.772 268 2HB LEU 35 2HB LEU 35 -8.770 -5.155 -5.084 269 HG LEU 35 HG LEU 35 -8.031 -7.317 -5.672 270 1HD1 LEU 35 1HD1 LEU 35 -5.768 -6.046 -7.230 271 2HD1 LEU 35 2HD1 LEU 35 -5.946 -7.786 -6.904 272 3HD1 LEU 35 3HD1 LEU 35 -7.124 -6.970 -7.932 273 1HD2 LEU 35 1HD2 LEU 35 -6.891 -6.242 -3.731 274 2HD2 LEU 35 2HD2 LEU 35 -5.868 -7.448 -4.520 275 3HD2 LEU 35 3HD2 LEU 35 -5.578 -5.722 -4.798 276 HA PRO 36 HA PRO 36 -12.793 -3.682 -7.243 277 1HB PRO 36 1HB PRO 36 -14.358 -5.227 -5.582 278 2HB PRO 36 2HB PRO 36 -13.883 -5.673 -7.243 279 1HG PRO 36 1HG PRO 36 -12.550 -6.528 -4.654 280 2HG PRO 36 2HG PRO 36 -13.041 -7.554 -6.041 281 1HD PRO 36 1HD PRO 36 -10.497 -6.700 -5.778 282 2HD PRO 36 2HD PRO 36 -11.278 -6.763 -7.384 283 H LYS 37 H LYS 37 -13.139 -4.668 -3.855 284 HA LYS 37 HA LYS 37 -11.946 -2.158 -2.913 285 1HB LYS 37 1HB LYS 37 -14.398 -1.639 -3.611 286 2HB LYS 37 2HB LYS 37 -14.850 -2.576 -2.204 287 1HG LYS 37 1HG LYS 37 -14.610 -0.759 -0.963 288 2HG LYS 37 2HG LYS 37 -12.872 -0.863 -1.184 289 1HD LYS 37 1HD LYS 37 -14.733 0.754 -2.971 290 2HD LYS 37 2HD LYS 37 -13.875 1.349 -1.569 291 1HE LYS 37 1HE LYS 37 -12.479 2.066 -3.211 292 2HE LYS 37 2HE LYS 37 -11.687 0.568 -2.724 293 1HZ LYS 37 1HZ LYS 37 -12.617 -0.491 -4.679 294 2HZ LYS 37 2HZ LYS 37 -13.487 0.850 -5.067 295 3HZ LYS 37 3HZ LYS 37 -11.835 0.829 -5.133 296 H LEU 38 H LEU 38 -14.014 -4.943 -2.027 297 HA LEU 38 HA LEU 38 -13.294 -5.241 0.682 298 1HB LEU 38 1HB LEU 38 -15.056 -6.588 -0.222 299 2HB LEU 38 2HB LEU 38 -14.043 -7.203 -1.520 300 HG LEU 38 HG LEU 38 -12.745 -8.576 0.032 301 1HD1 LEU 38 1HD1 LEU 38 -13.429 -8.866 2.392 302 2HD1 LEU 38 2HD1 LEU 38 -12.822 -7.243 2.082 303 3HD1 LEU 38 3HD1 LEU 38 -14.564 -7.510 2.229 304 1HD2 LEU 38 1HD2 LEU 38 -14.551 -10.166 0.641 305 2HD2 LEU 38 2HD2 LEU 38 -15.761 -8.899 0.283 306 3HD2 LEU 38 3HD2 LEU 38 -14.720 -9.529 -0.997 307 H VAL 39 H VAL 39 -11.891 -6.788 -2.172 308 HA VAL 39 HA VAL 39 -9.639 -7.829 -0.699 309 HB VAL 39 HB VAL 39 -9.989 -7.693 -3.721 310 1HG1 VAL 39 1HG1 VAL 39 -8.455 -9.656 -1.950 311 2HG1 VAL 39 2HG1 VAL 39 -8.635 -9.767 -3.710 312 3HG1 VAL 39 3HG1 VAL 39 -7.730 -8.431 -2.998 313 1HG2 VAL 39 1HG2 VAL 39 -12.004 -8.706 -2.944 314 2HG2 VAL 39 2HG2 VAL 39 -10.949 -10.072 -3.256 315 3HG2 VAL 39 3HG2 VAL 39 -11.169 -9.525 -1.605 316 H GLU 40 H GLU 40 -10.176 -4.816 -2.474 317 HA GLU 40 HA GLU 40 -7.421 -4.095 -2.768 318 1HB GLU 40 1HB GLU 40 -9.236 -2.932 -3.944 319 2HB GLU 40 2HB GLU 40 -9.881 -2.347 -2.398 320 1HG GLU 40 1HG GLU 40 -7.949 -1.011 -1.980 321 2HG GLU 40 2HG GLU 40 -7.052 -1.760 -3.313 322 H GLN 41 H GLN 41 -9.795 -3.648 -0.058 323 HA GLN 41 HA GLN 41 -8.059 -2.252 1.666 324 1HB GLN 41 1HB GLN 41 -10.603 -2.794 1.759 325 2HB GLN 41 2HB GLN 41 -10.132 -4.239 2.639 326 1HG GLN 41 1HG GLN 41 -9.145 -2.857 4.416 327 2HG GLN 41 2HG GLN 41 -9.365 -1.396 3.457 328 1HE2 GLN 41 1HE2 GLN 41 -11.866 -3.943 3.702 329 2HE2 GLN 41 2HE2 GLN 41 -13.015 -2.998 4.610 330 H VAL 42 H VAL 42 -7.995 -5.600 0.753 331 HA VAL 42 HA VAL 42 -6.361 -6.508 3.022 332 HB VAL 42 HB VAL 42 -7.497 -7.814 0.523 333 1HG1 VAL 42 1HG1 VAL 42 -5.734 -9.243 2.519 334 2HG1 VAL 42 2HG1 VAL 42 -6.605 -9.949 1.154 335 3HG1 VAL 42 3HG1 VAL 42 -5.261 -8.843 0.855 336 1HG2 VAL 42 1HG2 VAL 42 -8.652 -9.147 2.250 337 2HG2 VAL 42 2HG2 VAL 42 -7.841 -8.185 3.508 338 3HG2 VAL 42 3HG2 VAL 42 -8.994 -7.413 2.391 339 H ALA 43 H ALA 43 -5.913 -6.203 -0.569 340 HA ALA 43 HA ALA 43 -3.106 -6.537 -0.443 341 1HB ALA 43 1HB ALA 43 -3.104 -5.569 -2.704 342 2HB ALA 43 2HB ALA 43 -4.417 -6.745 -2.513 343 3HB ALA 43 3HB ALA 43 -4.768 -4.993 -2.477 344 H LEU 44 H LEU 44 -5.053 -3.718 0.238 345 HA LEU 44 HA LEU 44 -2.957 -1.775 0.146 346 1HB LEU 44 1HB LEU 44 -5.739 -1.779 1.304 347 2HB LEU 44 2HB LEU 44 -4.628 -0.480 1.662 348 HG LEU 44 HG LEU 44 -5.513 -1.219 -1.153 349 1HD1 LEU 44 1HD1 LEU 44 -6.246 1.131 0.656 350 2HD1 LEU 44 2HD1 LEU 44 -6.790 0.881 -1.018 351 3HD1 LEU 44 3HD1 LEU 44 -7.304 -0.238 0.250 352 1HD2 LEU 44 1HD2 LEU 44 -4.483 0.986 -1.757 353 2HD2 LEU 44 2HD2 LEU 44 -3.727 1.037 -0.149 354 3HD2 LEU 44 3HD2 LEU 44 -3.317 -0.239 -1.320 355 H ASN 45 H ASN 45 -4.200 -3.962 2.708 356 HA ASN 45 HA ASN 45 -2.471 -2.492 4.663 357 1HB ASN 45 1HB ASN 45 -4.859 -4.318 5.009 358 2HB ASN 45 2HB ASN 45 -3.732 -3.994 6.327 359 1HD2 ASN 45 1HD2 ASN 45 -6.322 -2.597 4.451 360 2HD2 ASN 45 2HD2 ASN 45 -6.390 -1.153 5.480 361 H ALA 46 H ALA 46 -1.573 -4.444 2.443 362 HA ALA 46 HA ALA 46 0.069 -6.063 4.261 363 1HB ALA 46 1HB ALA 46 -1.730 -7.550 3.366 364 2HB ALA 46 2HB ALA 46 -1.390 -6.959 1.746 365 3HB ALA 46 3HB ALA 46 -0.186 -7.956 2.620 366 H TRP 47 H TRP 47 2.047 -6.688 3.377 367 HA TRP 47 HA TRP 47 2.943 -5.070 1.028 368 1HB TRP 47 1HB TRP 47 5.186 -5.163 1.880 369 2HB TRP 47 2HB TRP 47 4.130 -4.347 3.004 370 HD1 TRP 47 HD TRP 47 3.721 -5.481 5.372 371 HE1 TRP 47 1HE TRP 47 5.222 -7.060 6.756 372 HE3 TRP 47 3HE TRP 47 6.660 -7.362 1.609 373 HZ2 TRP 47 2HZ TRP 47 7.536 -8.703 6.326 374 HZ3 TRP 47 3HZ TRP 47 8.524 -8.925 2.158 375 HH2 TRP 47 HH TRP 47 8.962 -9.586 4.489 376 H LYS 48 H LYS 48 4.342 -6.177 -0.422 377 HA LYS 48 HA LYS 48 3.555 -9.032 -0.565 378 1HB LYS 48 1HB LYS 48 2.685 -7.479 -2.264 379 2HB LYS 48 2HB LYS 48 4.329 -7.092 -2.785 380 1HG LYS 48 1HG LYS 48 4.086 -9.945 -2.748 381 2HG LYS 48 2HG LYS 48 2.602 -9.338 -3.448 382 1HD LYS 48 1HD LYS 48 3.965 -9.799 -5.267 383 2HD LYS 48 2HD LYS 48 4.026 -8.060 -5.136 384 1HE LYS 48 1HE LYS 48 6.141 -9.835 -3.890 385 2HE LYS 48 2HE LYS 48 6.182 -9.393 -5.600 386 1HZ LYS 48 1HZ LYS 48 6.102 -7.041 -4.867 387 2HZ LYS 48 2HZ LYS 48 6.445 -7.559 -3.320 388 3HZ LYS 48 3HZ LYS 48 7.486 -7.838 -4.569 389 H GLU 49 H GLU 49 5.038 -10.461 -0.116 390 HA GLU 49 HA GLU 49 7.916 -9.949 -0.608 391 1HB GLU 49 1HB GLU 49 7.019 -10.701 1.664 392 2HB GLU 49 2HB GLU 49 6.438 -12.146 0.870 393 1HG GLU 49 1HG GLU 49 9.176 -11.968 0.151 394 2HG GLU 49 2HG GLU 49 9.107 -11.472 1.844 395 H GLU 50 H GLU 50 8.919 -11.493 -2.156 396 HA GLU 50 HA GLU 50 7.018 -13.284 -3.610 397 1HB GLU 50 1HB GLU 50 7.078 -11.442 -4.964 398 2HB GLU 50 2HB GLU 50 8.762 -11.065 -4.635 399 1HG GLU 50 1HG GLU 50 9.487 -12.976 -6.009 400 2HG GLU 50 2HG GLU 50 7.801 -13.441 -6.263 401 H SER 51 H SER 51 7.912 -15.144 -4.587 402 HA SER 51 HA SER 51 10.672 -15.864 -3.997 403 1HB SER 51 1HB SER 51 8.285 -16.943 -2.676 404 2HB SER 51 2HB SER 51 8.956 -18.159 -3.763 405 HG SER 51 HG SER 51 9.976 -17.115 -1.402 406 H ASP 52 H ASP 52 11.002 -17.902 -5.364 407 HA ASP 52 HA ASP 52 11.256 -17.485 -7.934 408 1HB ASP 52 1HB ASP 52 12.117 -19.405 -6.817 409 2HB ASP 52 2HB ASP 52 10.509 -20.031 -6.484 410 H ASN 53 H ASN 53 8.346 -19.284 -6.843 411 HA ASN 53 HA ASN 53 6.814 -18.100 -9.133 412 1HB ASN 53 1HB ASN 53 7.322 -20.979 -8.518 413 2HB ASN 53 2HB ASN 53 5.653 -20.594 -8.852 414 1HD2 ASN 53 1HD2 ASN 53 5.215 -19.283 -10.945 415 2HD2 ASN 53 2HD2 ASN 53 6.140 -19.833 -12.324 416 H ALA 54 H ALA 54 7.010 -17.498 -6.052 417 HA ALA 54 HA ALA 54 4.139 -17.954 -5.444 418 1HB ALA 54 1HB ALA 54 5.467 -19.705 -4.281 419 2HB ALA 54 2HB ALA 54 6.469 -18.444 -3.533 420 3HB ALA 54 3HB ALA 54 4.745 -18.560 -3.136 421 H VAL 55 H VAL 55 3.425 -16.524 -3.695 422 HA VAL 55 HA VAL 55 5.064 -14.119 -3.267 423 HB VAL 55 HB VAL 55 2.251 -14.009 -4.454 424 1HG1 VAL 55 1HG1 VAL 55 4.240 -11.813 -3.825 425 2HG1 VAL 55 2HG1 VAL 55 2.591 -11.592 -4.445 426 3HG1 VAL 55 3HG1 VAL 55 2.848 -12.184 -2.793 427 1HG2 VAL 55 1HG2 VAL 55 3.953 -14.457 -6.247 428 2HG2 VAL 55 2HG2 VAL 55 3.343 -12.810 -6.361 429 3HG2 VAL 55 3HG2 VAL 55 4.936 -13.127 -5.651 430 H CYS 56 H CYS 56 4.934 -13.624 -1.189 431 HA CYS 56 HA CYS 56 2.701 -14.757 0.459 432 1HB CYS 56 1HB CYS 56 5.479 -13.917 1.340 433 2HB CYS 56 2HB CYS 56 4.196 -14.518 2.402 434 HG CYS 56 HG CYS 56 6.088 -16.356 1.881 435 H LEU 57 H LEU 57 1.180 -13.319 0.846 436 HA LEU 57 HA LEU 57 1.745 -10.412 0.766 437 1HB LEU 57 1HB LEU 57 -0.513 -12.174 0.157 438 2HB LEU 57 2HB LEU 57 -1.006 -10.941 1.280 439 HG LEU 57 HG LEU 57 -1.360 -10.395 -1.129 440 1HD1 LEU 57 1HD1 LEU 57 -0.441 -8.054 -0.942 441 2HD1 LEU 57 2HD1 LEU 57 -1.376 -8.637 0.431 442 3HD1 LEU 57 3HD1 LEU 57 0.414 -8.552 0.508 443 1HD2 LEU 57 1HD2 LEU 57 1.611 -9.873 -1.337 444 2HD2 LEU 57 2HD2 LEU 57 0.866 -11.376 -1.913 445 3HD2 LEU 57 3HD2 LEU 57 0.380 -9.828 -2.598 446 H HIS 58 H HIS 58 2.627 -9.747 2.598 447 HA HIS 58 HA HIS 58 1.915 -10.971 5.216 448 1HB HIS 58 1HB HIS 58 3.880 -8.806 4.401 449 2HB HIS 58 2HB HIS 58 3.634 -9.328 6.061 450 HD1 HIS 58 HD1 HIS 58 5.706 -10.810 6.765 451 HD2 HIS 58 HD2 HIS 58 4.550 -11.204 2.718 452 HE1 HIS 58 HE1 HIS 58 7.417 -12.303 5.636 453 HE2 HIS 58 HE2 HIS 58 6.696 -12.672 3.263 454 H LEU 59 H LEU 59 -0.147 -10.308 5.746 455 HA LEU 59 HA LEU 59 -0.932 -7.472 5.374 456 1HB LEU 59 1HB LEU 59 -2.490 -9.410 4.794 457 2HB LEU 59 2HB LEU 59 -2.495 -9.834 6.490 458 HG LEU 59 HG LEU 59 -3.194 -7.056 6.436 459 1HD1 LEU 59 1HD1 LEU 59 -3.707 -7.178 4.054 460 2HD1 LEU 59 2HD1 LEU 59 -4.723 -8.599 4.320 461 3HD1 LEU 59 3HD1 LEU 59 -5.192 -7.017 4.986 462 1HD2 LEU 59 1HD2 LEU 59 -4.137 -8.965 7.881 463 2HD2 LEU 59 2HD2 LEU 59 -5.261 -7.711 7.311 464 3HD2 LEU 59 3HD2 LEU 59 -5.224 -9.271 6.509 465 H ARG 60 H ARG 60 -1.373 -6.104 7.063 466 HA ARG 60 HA ARG 60 -0.029 -6.518 9.581 467 1HB ARG 60 1HB ARG 60 -2.317 -4.653 8.801 468 2HB ARG 60 2HB ARG 60 -1.521 -4.597 10.350 469 1HG ARG 60 1HG ARG 60 -0.035 -4.109 7.731 470 2HG ARG 60 2HG ARG 60 -0.811 -2.849 8.701 471 1HD ARG 60 1HD ARG 60 0.581 -3.758 10.692 472 2HD ARG 60 2HD ARG 60 1.547 -4.606 9.500 473 HE ARG 60 HE ARG 60 2.103 -2.409 8.484 474 1HH1 ARG 60 2HH2 ARG 60 0.176 -2.008 11.426 475 2HH1 ARG 60 1HH2 ARG 60 0.651 -0.332 11.551 476 1HH2 ARG 60 2HH1 ARG 60 2.807 -0.391 8.862 477 2HH2 ARG 60 1HH1 ARG 60 2.402 0.536 10.291 478 H SER 61 H SER 61 -0.669 -8.021 10.978 479 HA SER 61 HA SER 61 -3.132 -9.357 11.127 480 1HB SER 61 1HB SER 61 -2.371 -9.886 13.503 481 2HB SER 61 2HB SER 61 -1.274 -10.341 12.191 482 HG SER 61 HG SER 61 -0.006 -8.566 12.599 483 H SER 62 H SER 62 -2.222 -6.145 12.235 484 HA SER 62 HA SER 62 -4.178 -5.601 14.176 485 1HB SER 62 1HB SER 62 -3.160 -3.560 12.217 486 2HB SER 62 2HB SER 62 -3.346 -3.419 13.965 487 HG SER 62 HG SER 62 -1.398 -4.461 14.221 488 H GLN 63 H GLN 63 -4.304 -5.766 10.637 489 HA GLN 63 HA GLN 63 -7.150 -4.902 10.573 490 1HB GLN 63 1HB GLN 63 -4.900 -4.630 8.539 491 2HB GLN 63 2HB GLN 63 -6.600 -4.458 8.128 492 1HG GLN 63 1HG GLN 63 -5.830 -2.273 8.427 493 2HG GLN 63 2HG GLN 63 -6.854 -2.644 9.805 494 1HE2 GLN 63 1HE2 GLN 63 -6.005 -1.673 11.646 495 2HE2 GLN 63 2HE2 GLN 63 -4.294 -1.589 12.020 496 H ARG 64 H ARG 64 -5.697 -7.753 10.943 497 HA ARG 64 HA ARG 64 -6.427 -9.172 8.604 498 1HB ARG 64 1HB ARG 64 -5.974 -11.149 9.602 499 2HB ARG 64 2HB ARG 64 -4.834 -10.017 10.253 500 1HG ARG 64 1HG ARG 64 -5.361 -11.143 12.173 501 2HG ARG 64 2HG ARG 64 -6.607 -9.902 12.262 502 1HD ARG 64 1HD ARG 64 -8.219 -11.523 11.172 503 2HD ARG 64 2HD ARG 64 -6.938 -12.727 11.123 504 HE ARG 64 HE ARG 64 -8.482 -11.739 13.399 505 1HH1 ARG 64 2HH2 ARG 64 -5.559 -13.603 12.481 506 2HH1 ARG 64 1HH2 ARG 64 -5.345 -14.235 14.065 507 1HH2 ARG 64 2HH1 ARG 64 -8.323 -12.802 15.397 508 2HH2 ARG 64 1HH1 ARG 64 -7.106 -14.003 15.700 509 H HIS 65 H HIS 65 -8.619 -7.768 10.721 510 HA HIS 65 HA HIS 65 -10.806 -9.522 10.595 511 1HB HIS 65 1HB HIS 65 -10.728 -6.479 10.243 512 2HB HIS 65 2HB HIS 65 -12.196 -7.409 10.500 513 HD1 HIS 65 HD1 HIS 65 -10.026 -5.383 12.557 514 HD2 HIS 65 HD2 HIS 65 -11.687 -9.277 12.841 515 HE1 HIS 65 HE1 HIS 65 -10.021 -6.023 15.026 516 HE2 HIS 65 HE2 HIS 65 -10.907 -8.431 15.171 517 H LEU 66 H LEU 66 -9.187 -7.992 7.897 518 HA LEU 66 HA LEU 66 -11.419 -8.791 6.086 519 1HB LEU 66 1HB LEU 66 -9.059 -6.917 5.677 520 2HB LEU 66 2HB LEU 66 -10.132 -7.446 4.398 521 HG LEU 66 HG LEU 66 -10.709 -5.265 4.998 522 1HD1 LEU 66 1HD1 LEU 66 -12.876 -7.127 6.049 523 2HD1 LEU 66 2HD1 LEU 66 -13.106 -5.495 5.409 524 3HD1 LEU 66 3HD1 LEU 66 -12.543 -6.792 4.338 525 1HD2 LEU 66 1HD2 LEU 66 -11.482 -6.086 7.813 526 2HD2 LEU 66 2HD2 LEU 66 -9.943 -5.283 7.397 527 3HD2 LEU 66 3HD2 LEU 66 -11.488 -4.474 7.084 528 H ASN 67 H ASN 67 -8.444 -10.110 7.208 529 HA ASN 67 HA ASN 67 -7.552 -11.216 4.638 530 1HB ASN 67 1HB ASN 67 -5.809 -11.192 6.347 531 2HB ASN 67 2HB ASN 67 -6.854 -12.063 7.483 532 1HD2 ASN 67 1HD2 ASN 67 -5.459 -13.909 7.631 533 2HD2 ASN 67 2HD2 ASN 67 -5.057 -14.941 6.277 534 H ASN 68 H ASN 68 -9.098 -12.316 3.705 535 HA ASN 68 HA ASN 68 -10.262 -14.628 5.189 536 1HB ASN 68 1HB ASN 68 -12.460 -14.262 4.513 537 2HB ASN 68 2HB ASN 68 -11.925 -12.758 5.228 538 1HD2 ASN 68 1HD2 ASN 68 -11.406 -10.931 3.707 539 2HD2 ASN 68 2HD2 ASN 68 -12.219 -10.925 2.156 540 H ARG 69 H ARG 69 -11.059 -16.367 3.838 541 HA ARG 69 HA ARG 69 -9.133 -16.979 1.852 542 1HB ARG 69 1HB ARG 69 -10.315 -18.956 1.443 543 2HB ARG 69 2HB ARG 69 -10.324 -18.635 3.190 544 1HG ARG 69 1HG ARG 69 -12.699 -18.117 3.101 545 2HG ARG 69 2HG ARG 69 -12.705 -18.271 1.326 546 1HD ARG 69 1HD ARG 69 -11.974 -20.617 1.508 547 2HD ARG 69 2HD ARG 69 -12.011 -20.505 3.267 548 HE ARG 69 HE ARG 69 -14.304 -20.429 1.372 549 1HH1 ARG 69 2HH2 ARG 69 -13.195 -20.760 4.773 550 2HH1 ARG 69 1HH2 ARG 69 -14.781 -21.098 5.365 551 1HH2 ARG 69 2HH1 ARG 69 -16.423 -20.844 2.245 552 2HH2 ARG 69 1HH1 ARG 69 -16.614 -21.039 3.955 553 H GLY 70 H GLY 70 -12.419 -15.960 1.541 554 1HA GLY 70 1HA GLY 70 -12.763 -16.009 -1.277 555 2HA GLY 70 2HA GLY 70 -13.562 -14.841 -0.218 556 H ALA 71 H ALA 71 -11.317 -13.391 0.768 557 HA ALA 71 HA ALA 71 -10.737 -11.704 -1.497 558 1HB ALA 71 1HB ALA 71 -10.867 -10.651 0.655 559 2HB ALA 71 2HB ALA 71 -9.627 -11.734 1.337 560 3HB ALA 71 3HB ALA 71 -9.188 -10.536 0.115 561 H GLN 72 H GLN 72 -8.848 -14.167 0.304 562 HA GLN 72 HA GLN 72 -6.384 -13.775 -0.975 563 1HB GLN 72 1HB GLN 72 -6.489 -15.153 0.977 564 2HB GLN 72 2HB GLN 72 -7.734 -16.161 0.342 565 1HG GLN 72 1HG GLN 72 -5.232 -16.290 -1.272 566 2HG GLN 72 2HG GLN 72 -5.043 -16.765 0.401 567 1HE2 GLN 72 1HE2 GLN 72 -4.624 -18.983 -0.204 568 2HE2 GLN 72 2HE2 GLN 72 -5.912 -20.055 -0.681 569 H GLN 73 H GLN 73 -9.057 -16.013 -1.920 570 HA GLN 73 HA GLN 73 -7.654 -16.970 -4.177 571 1HB GLN 73 1HB GLN 73 -9.660 -17.977 -3.018 572 2HB GLN 73 2HB GLN 73 -10.682 -16.846 -3.906 573 1HG GLN 73 1HG GLN 73 -9.897 -17.771 -6.048 574 2HG GLN 73 2HG GLN 73 -8.694 -18.767 -5.224 575 1HE2 GLN 73 1HE2 GLN 73 -9.323 -20.884 -5.220 576 2HE2 GLN 73 2HE2 GLN 73 -10.967 -21.473 -5.065 577 H LYS 74 H LYS 74 -9.917 -14.251 -3.867 578 HA LYS 74 HA LYS 74 -10.019 -13.566 -6.670 579 1HB LYS 74 1HB LYS 74 -11.568 -12.568 -5.006 580 2HB LYS 74 2HB LYS 74 -10.205 -11.843 -4.177 581 1HG LYS 74 1HG LYS 74 -11.255 -10.092 -5.446 582 2HG LYS 74 2HG LYS 74 -9.727 -10.439 -6.221 583 1HD LYS 74 1HD LYS 74 -11.306 -10.163 -7.939 584 2HD LYS 74 2HD LYS 74 -11.060 -11.912 -7.880 585 1HE LYS 74 1HE LYS 74 -13.130 -12.195 -6.590 586 2HE LYS 74 2HE LYS 74 -13.284 -10.443 -6.385 587 1HZ LYS 74 1HZ LYS 74 -14.738 -11.222 -8.073 588 2HZ LYS 74 2HZ LYS 74 -13.592 -10.247 -8.766 589 3HZ LYS 74 3HZ LYS 74 -13.501 -11.879 -8.948 590 H LEU 75 H LEU 75 -7.806 -12.607 -4.011 591 HA LEU 75 HA LEU 75 -6.191 -10.831 -5.542 592 1HB LEU 75 1HB LEU 75 -6.272 -11.738 -2.868 593 2HB LEU 75 2HB LEU 75 -4.839 -12.441 -3.423 594 HG LEU 75 HG LEU 75 -5.576 -9.512 -3.422 595 1HD1 LEU 75 1HD1 LEU 75 -5.178 -10.450 -1.229 596 2HD1 LEU 75 2HD1 LEU 75 -3.605 -11.077 -1.745 597 3HD1 LEU 75 3HD1 LEU 75 -3.886 -9.318 -1.650 598 1HD2 LEU 75 1HD2 LEU 75 -3.379 -8.870 -4.100 599 2HD2 LEU 75 2HD2 LEU 75 -2.855 -10.555 -4.229 600 3HD2 LEU 75 3HD2 LEU 75 -4.064 -9.908 -5.349 601 H ALA 76 H ALA 76 -6.027 -14.327 -4.914 602 HA ALA 76 HA ALA 76 -3.557 -14.860 -6.161 603 1HB ALA 76 1HB ALA 76 -4.244 -17.187 -6.070 604 2HB ALA 76 2HB ALA 76 -4.732 -16.376 -4.564 605 3HB ALA 76 3HB ALA 76 -5.934 -16.743 -5.821 606 H GLU 77 H GLU 77 -6.877 -15.095 -7.420 607 HA GLU 77 HA GLU 77 -6.249 -16.005 -10.010 608 1HB GLU 77 1HB GLU 77 -8.514 -15.889 -8.865 609 2HB GLU 77 2HB GLU 77 -8.456 -14.129 -8.987 610 1HG GLU 77 1HG GLU 77 -8.241 -14.558 -11.566 611 2HG GLU 77 2HG GLU 77 -8.834 -16.178 -11.165 612 H ALA 78 H ALA 78 -6.407 -12.680 -8.674 613 HA ALA 78 HA ALA 78 -5.951 -11.382 -11.205 614 1HB ALA 78 1HB ALA 78 -7.076 -10.299 -9.298 615 2HB ALA 78 2HB ALA 78 -5.573 -10.369 -8.355 616 3HB ALA 78 3HB ALA 78 -5.669 -9.377 -9.833 617 H LEU 79 H LEU 79 -3.733 -12.157 -8.424 618 HA LEU 79 HA LEU 79 -1.381 -11.203 -9.680 619 1HB LEU 79 1HB LEU 79 -2.096 -12.553 -7.255 620 2HB LEU 79 2HB LEU 79 -0.829 -13.516 -7.987 621 HG LEU 79 HG LEU 79 -0.627 -10.500 -7.604 622 1HD1 LEU 79 1HD1 LEU 79 0.726 -11.025 -5.600 623 2HD1 LEU 79 2HD1 LEU 79 -0.961 -11.512 -5.442 624 3HD1 LEU 79 3HD1 LEU 79 0.286 -12.742 -5.768 625 1HD2 LEU 79 1HD2 LEU 79 1.765 -10.817 -7.891 626 2HD2 LEU 79 2HD2 LEU 79 1.585 -12.580 -7.960 627 3HD2 LEU 79 3HD2 LEU 79 0.958 -11.572 -9.269 628 H SER 80 H SER 80 -3.036 -14.342 -9.894 629 HA SER 80 HA SER 80 -1.004 -15.699 -11.378 630 1HB SER 80 1HB SER 80 -4.004 -16.149 -11.112 631 2HB SER 80 2HB SER 80 -2.919 -17.288 -11.884 632 HG SER 80 HG SER 80 -3.073 -16.455 -9.217 633 H MET 81 H MET 81 -3.783 -13.654 -12.342 634 HA MET 81 HA MET 81 -3.463 -14.088 -15.176 635 1HB MET 81 1HB MET 81 -5.562 -13.267 -14.306 636 2HB MET 81 2HB MET 81 -4.780 -11.887 -13.526 637 1HG MET 81 1HG MET 81 -4.151 -10.959 -15.696 638 2HG MET 81 2HG MET 81 -4.882 -12.340 -16.527 639 1HE MET 81 1HE MET 81 -5.289 -8.963 -16.610 640 2HE MET 81 2HE MET 81 -5.799 -10.104 -17.876 641 3HE MET 81 3HE MET 81 -6.971 -8.965 -17.170 642 H LEU 82 H LEU 82 -2.156 -11.733 -12.813 643 HA LEU 82 HA LEU 82 -0.728 -10.122 -14.704 644 1HB LEU 82 1HB LEU 82 -1.173 -9.292 -12.530 645 2HB LEU 82 2HB LEU 82 -0.436 -10.683 -11.750 646 HG LEU 82 HG LEU 82 1.818 -9.933 -12.627 647 1HD1 LEU 82 1HD1 LEU 82 2.029 -7.568 -13.317 648 2HD1 LEU 82 2HD1 LEU 82 1.049 -8.468 -14.480 649 3HD1 LEU 82 3HD1 LEU 82 0.246 -7.404 -13.312 650 1HD2 LEU 82 1HD2 LEU 82 0.997 -9.557 -10.329 651 2HD2 LEU 82 2HD2 LEU 82 2.068 -8.275 -10.870 652 3HD2 LEU 82 3HD2 LEU 82 0.300 -8.015 -10.817 653 H LYS 83 H LYS 83 0.282 -13.021 -12.825 654 HA LYS 83 HA LYS 83 2.960 -12.942 -13.966 655 1HB LYS 83 1HB LYS 83 2.034 -13.937 -11.648 656 2HB LYS 83 2HB LYS 83 1.779 -15.376 -12.621 657 1HG LYS 83 1HG LYS 83 3.887 -15.824 -11.865 658 2HG LYS 83 2HG LYS 83 4.350 -14.932 -13.310 659 1HD LYS 83 1HD LYS 83 4.199 -13.883 -10.445 660 2HD LYS 83 2HD LYS 83 5.657 -14.209 -11.387 661 1HE LYS 83 1HE LYS 83 5.026 -12.421 -12.990 662 2HE LYS 83 2HE LYS 83 3.576 -12.074 -12.034 663 1HZ LYS 83 1HZ LYS 83 6.365 -11.768 -11.112 664 2HZ LYS 83 2HZ LYS 83 5.300 -10.544 -11.481 665 3HZ LYS 83 3HZ LYS 83 5.070 -11.523 -10.169 666 H GLY 84 H GLY 84 -0.080 -14.400 -14.963 667 1HA GLY 84 1HA GLY 84 -0.586 -15.455 -16.943 668 2HA GLY 84 2HA GLY 84 1.118 -15.422 -17.423 669 H SER 85 H SER 85 0.780 -16.648 -14.238 670 HA SER 85 HA SER 85 0.320 -19.427 -14.920 671 1HB SER 85 1HB SER 85 2.933 -18.397 -13.694 672 2HB SER 85 2HB SER 85 2.391 -20.076 -13.618 673 HG SER 85 HG SER 85 3.064 -18.589 -15.965 674 H THR 86 H THR 86 -0.179 -20.619 -12.852 675 HA THR 86 HA THR 86 -1.569 -18.990 -11.011 676 HB THR 86 HB THR 86 -0.681 -21.882 -10.708 677 HG1 THR 86 1HG THR 86 -2.884 -22.154 -11.578 678 1HG2 THR 86 1HG2 THR 86 -2.672 -22.067 -9.256 679 2HG2 THR 86 2HG2 THR 86 -1.560 -20.868 -8.603 680 3HG2 THR 86 3HG2 THR 86 -3.018 -20.330 -9.471 681 H VAL 87 H VAL 87 -0.729 -17.690 -9.547 682 HA VAL 87 HA VAL 87 2.011 -17.981 -8.480 683 HB VAL 87 HB VAL 87 -0.257 -15.986 -8.049 684 1HG1 VAL 87 1HG1 VAL 87 2.551 -16.040 -6.879 685 2HG1 VAL 87 2HG1 VAL 87 1.473 -14.621 -6.854 686 3HG1 VAL 87 3HG1 VAL 87 1.027 -16.078 -5.973 687 1HG2 VAL 87 1HG2 VAL 87 2.468 -15.736 -9.421 688 2HG2 VAL 87 2HG2 VAL 87 0.916 -15.878 -10.259 689 3HG2 VAL 87 3HG2 VAL 87 1.244 -14.455 -9.276 690 H GLU 88 H GLU 88 2.483 -18.597 -6.319 691 HA GLU 88 HA GLU 88 0.274 -20.017 -4.920 692 1HB GLU 88 1HB GLU 88 3.277 -20.236 -4.992 693 2HB GLU 88 2HB GLU 88 2.441 -20.606 -3.473 694 1HG GLU 88 1HG GLU 88 1.578 -21.852 -6.119 695 2HG GLU 88 2HG GLU 88 2.848 -22.557 -5.120 696 H LEU 89 H LEU 89 -0.793 -18.158 -4.381 697 HA LEU 89 HA LEU 89 0.637 -15.940 -3.117 698 1HB LEU 89 1HB LEU 89 -0.907 -15.374 -4.801 699 2HB LEU 89 2HB LEU 89 -2.206 -16.288 -4.037 700 HG LEU 89 HG LEU 89 -2.391 -14.729 -2.214 701 1HD1 LEU 89 1HD1 LEU 89 -0.096 -13.095 -3.349 702 2HD1 LEU 89 2HD1 LEU 89 -1.191 -12.654 -2.025 703 3HD1 LEU 89 3HD1 LEU 89 -0.068 -13.989 -1.797 704 1HD2 LEU 89 1HD2 LEU 89 -2.718 -12.579 -3.598 705 2HD2 LEU 89 2HD2 LEU 89 -2.102 -13.481 -4.981 706 3HD2 LEU 89 3HD2 LEU 89 -3.536 -14.059 -4.092 707 H THR 90 H THR 90 1.090 -16.251 -0.997 708 HA THR 90 HA THR 90 -0.777 -17.782 0.769 709 HB THR 90 HB THR 90 1.931 -16.646 1.512 710 HG1 THR 90 1HG THR 90 2.052 -18.099 -0.385 711 1HG2 THR 90 1HG2 THR 90 0.555 -17.514 3.365 712 2HG2 THR 90 2HG2 THR 90 0.387 -19.063 2.515 713 3HG2 THR 90 3HG2 THR 90 1.966 -18.531 3.121 714 H ILE 91 H ILE 91 -1.437 -16.628 2.759 715 HA ILE 91 HA ILE 91 -0.950 -13.709 2.754 716 HB ILE 91 HB ILE 91 -3.483 -14.943 3.864 717 1HG1 ILE 91 1HG1 ILE 91 -3.611 -15.303 1.427 718 2HG1 ILE 91 2HG1 ILE 91 -4.824 -14.221 2.089 719 1HG2 ILE 91 1HG2 ILE 91 -4.159 -12.452 3.687 720 2HG2 ILE 91 2HG2 ILE 91 -2.923 -12.870 4.884 721 3HG2 ILE 91 3HG2 ILE 91 -2.451 -12.134 3.347 722 1HD1 ILE 91 1HD1 ILE 91 -3.659 -12.271 1.156 723 2HD1 ILE 91 2HD1 ILE 91 -2.380 -13.345 0.525 724 3HD1 ILE 91 3HD1 ILE 91 -4.036 -13.462 -0.094 725 H VAL 92 H VAL 92 0.113 -13.197 4.615 726 HA VAL 92 HA VAL 92 -0.099 -15.075 6.913 727 HB VAL 92 HB VAL 92 2.191 -14.751 7.499 728 1HG1 VAL 92 1HG1 VAL 92 2.133 -15.518 4.545 729 2HG1 VAL 92 2HG1 VAL 92 3.314 -16.020 5.767 730 3HG1 VAL 92 3HG1 VAL 92 1.635 -16.585 5.877 731 1HG2 VAL 92 1HG2 VAL 92 2.548 -13.090 4.969 732 2HG2 VAL 92 2HG2 VAL 92 2.658 -12.502 6.658 733 3HG2 VAL 92 3HG2 VAL 92 3.847 -13.650 6.039 734 H GLU 93 H GLU 93 -0.049 -13.958 8.983 735 HA GLU 93 HA GLU 93 -0.985 -11.135 8.756 736 1HB GLU 93 1HB GLU 93 -1.812 -13.321 10.685 737 2HB GLU 93 2HB GLU 93 -2.336 -11.637 10.759 738 1HG GLU 93 1HG GLU 93 -3.524 -11.836 8.649 739 2HG GLU 93 2HG GLU 93 -2.931 -13.489 8.420 740 H ASP 94 H ASP 94 0.813 -9.981 9.367 741 HA ASP 94 HA ASP 94 2.428 -10.965 11.675 742 1HB ASP 94 1HB ASP 94 3.506 -11.266 9.439 743 2HB ASP 94 2HB ASP 94 3.364 -9.528 9.167 744 H ASP 95 H ASP 95 3.635 -9.080 12.647 745 HA ASP 95 HA ASP 95 2.024 -6.550 12.626 746 1HB ASP 95 1HB ASP 95 1.911 -6.529 14.970 747 2HB ASP 95 2HB ASP 95 1.467 -8.169 14.534 748 H ASN 96 H ASN 96 5.112 -8.031 12.589 749 HA ASN 96 HA ASN 96 6.718 -5.845 13.581 750 1HB ASN 96 1HB ASN 96 7.516 -8.132 13.591 751 2HB ASN 96 2HB ASN 96 7.227 -8.272 11.846 752 1HD2 ASN 96 1HD2 ASN 96 9.336 -8.699 11.174 753 2HD2 ASN 96 2HD2 ASN 96 10.655 -7.579 11.369 754 HA PRO 97 HA PRO 97 5.811 -3.654 9.705 755 1HB PRO 97 1HB PRO 97 6.740 -1.203 10.282 756 2HB PRO 97 2HB PRO 97 5.380 -1.938 11.183 757 1HG PRO 97 1HG PRO 97 8.321 -1.934 11.993 758 2HG PRO 97 2HG PRO 97 6.926 -1.363 12.965 759 1HD PRO 97 1HD PRO 97 7.916 -3.884 13.202 760 2HD PRO 97 2HD PRO 97 6.165 -3.550 13.340 761 H ALA 98 H ALA 98 7.765 -5.403 9.335 762 HA ALA 98 HA ALA 98 10.395 -4.533 8.860 763 1HB ALA 98 1HB ALA 98 10.666 -6.623 7.560 764 2HB ALA 98 2HB ALA 98 9.747 -6.921 9.042 765 3HB ALA 98 3HB ALA 98 8.904 -6.810 7.481 766 H VAL 99 H VAL 99 7.705 -4.198 6.876 767 HA VAL 99 HA VAL 99 9.165 -2.731 4.759 768 HB VAL 99 HB VAL 99 7.357 -5.098 4.210 769 1HG1 VAL 99 1HG1 VAL 99 7.995 -4.824 1.794 770 2HG1 VAL 99 2HG1 VAL 99 6.959 -3.557 2.401 771 3HG1 VAL 99 3HG1 VAL 99 8.707 -3.252 2.207 772 1HG2 VAL 99 1HG2 VAL 99 9.543 -5.952 4.812 773 2HG2 VAL 99 2HG2 VAL 99 9.372 -6.106 3.076 774 3HG2 VAL 99 3HG2 VAL 99 10.339 -4.776 3.735 775 H ARG 100 H ARG 100 7.341 -1.670 3.277 776 HA ARG 100 HA ARG 100 5.125 -0.765 5.057 777 1HB ARG 100 1HB ARG 100 6.455 0.531 2.636 778 2HB ARG 100 2HB ARG 100 5.033 1.178 3.438 779 1HG ARG 100 1HG ARG 100 7.751 0.763 4.765 780 2HG ARG 100 2HG ARG 100 7.200 2.289 4.080 781 1HD ARG 100 1HD ARG 100 5.564 2.627 5.717 782 2HD ARG 100 2HD ARG 100 5.507 0.935 6.208 783 HE ARG 100 HE ARG 100 7.301 2.998 7.134 784 1HH1 ARG 100 2HH2 ARG 100 6.755 -0.577 6.975 785 2HH1 ARG 100 1HH2 ARG 100 7.967 -0.918 8.142 786 1HH2 ARG 100 2HH1 ARG 100 9.168 2.362 8.494 787 2HH2 ARG 100 1HH1 ARG 100 9.219 0.753 9.095 788 H THR 101 H THR 101 3.053 -1.035 4.415 789 HA THR 101 HA THR 101 2.459 -2.828 2.195 790 HB THR 101 HB THR 101 0.174 -2.552 3.036 791 HG1 THR 101 1HG THR 101 0.308 -1.013 5.085 792 1HG2 THR 101 1HG2 THR 101 0.374 -3.249 5.354 793 2HG2 THR 101 2HG2 THR 101 1.683 -4.001 4.426 794 3HG2 THR 101 3HG2 THR 101 2.016 -2.625 5.469 795 HA PRO 102 HA PRO 102 2.106 0.480 -0.725 796 1HB PRO 102 1HB PRO 102 -0.174 0.250 -2.176 797 2HB PRO 102 2HB PRO 102 1.139 -0.977 -2.242 798 1HG PRO 102 1HG PRO 102 -1.325 -1.006 -0.584 799 2HG PRO 102 2HG PRO 102 -0.731 -2.322 -1.651 800 1HD PRO 102 1HD PRO 102 -0.273 -2.312 1.035 801 2HD PRO 102 2HD PRO 102 1.002 -2.863 -0.065 802 H LEU 103 H LEU 103 -0.596 0.170 1.550 803 HA LEU 103 HA LEU 103 -1.596 2.881 1.274 804 1HB LEU 103 1HB LEU 103 -2.841 0.883 2.165 805 2HB LEU 103 2HB LEU 103 -1.839 0.924 3.611 806 HG LEU 103 HG LEU 103 -3.679 3.176 2.661 807 1HD1 LEU 103 1HD1 LEU 103 -4.106 1.053 4.812 808 2HD1 LEU 103 2HD1 LEU 103 -5.193 2.419 4.473 809 3HD1 LEU 103 3HD1 LEU 103 -4.960 1.163 3.258 810 1HD2 LEU 103 1HD2 LEU 103 -3.494 3.910 5.094 811 2HD2 LEU 103 2HD2 LEU 103 -2.125 2.787 5.252 812 3HD2 LEU 103 3HD2 LEU 103 -2.052 4.166 4.129 813 H GLU 104 H GLU 104 0.614 1.122 3.568 814 HA GLU 104 HA GLU 104 1.328 3.475 5.026 815 1HB GLU 104 1HB GLU 104 2.591 0.753 4.719 816 2HB GLU 104 2HB GLU 104 3.316 1.997 5.726 817 1HG GLU 104 1HG GLU 104 1.698 1.914 7.339 818 2HG GLU 104 2HG GLU 104 0.400 1.569 6.198 819 H TRP 105 H TRP 105 2.560 2.139 1.978 820 HA TRP 105 HA TRP 105 4.852 3.894 1.818 821 1HB TRP 105 1HB TRP 105 3.246 2.331 -0.217 822 2HB TRP 105 2HB TRP 105 4.373 3.556 -0.746 823 HD1 TRP 105 HD TRP 105 4.323 -0.018 -0.124 824 HE1 TRP 105 1HE TRP 105 6.694 -0.963 -0.223 825 HE3 TRP 105 3HE TRP 105 6.969 4.324 0.344 826 HZ2 TRP 105 2HZ TRP 105 9.394 0.026 -0.176 827 HZ3 TRP 105 3HZ TRP 105 9.443 4.322 0.157 828 HH2 TRP 105 HH TRP 105 10.668 2.164 -0.064 829 H ARG 106 H ARG 106 1.425 4.142 0.700 830 HA ARG 106 HA ARG 106 1.662 6.770 -0.389 831 1HB ARG 106 1HB ARG 106 -0.218 4.930 -0.527 832 2HB ARG 106 2HB ARG 106 -0.889 5.722 0.886 833 1HG ARG 106 1HG ARG 106 -0.104 7.437 -1.480 834 2HG ARG 106 2HG ARG 106 -1.442 6.341 -1.701 835 1HD ARG 106 1HD ARG 106 -2.023 7.622 0.753 836 2HD ARG 106 2HD ARG 106 -1.300 8.892 -0.236 837 HE ARG 106 HE ARG 106 -3.136 8.903 -1.604 838 1HH1 ARG 106 2HH2 ARG 106 -3.446 5.954 0.417 839 2HH1 ARG 106 1HH2 ARG 106 -4.370 5.124 -0.821 840 1HH2 ARG 106 2HH1 ARG 106 -5.005 8.133 -2.572 841 2HH2 ARG 106 1HH1 ARG 106 -5.458 6.475 -2.506 842 H GLN 107 H GLN 107 1.303 5.653 2.869 843 HA GLN 107 HA GLN 107 0.821 8.319 4.003 844 1HB GLN 107 1HB GLN 107 0.202 6.117 5.152 845 2HB GLN 107 2HB GLN 107 1.913 5.773 5.310 846 1HG GLN 107 1HG GLN 107 1.352 6.572 7.395 847 2HG GLN 107 2HG GLN 107 2.115 7.970 6.650 848 1HE2 GLN 107 1HE2 GLN 107 0.384 8.143 8.894 849 2HE2 GLN 107 2HE2 GLN 107 -1.105 8.940 8.429 850 H ALA 108 H ALA 108 3.673 6.161 3.489 851 HA ALA 108 HA ALA 108 5.528 7.701 4.947 852 1HB ALA 108 1HB ALA 108 7.219 6.321 3.804 853 2HB ALA 108 2HB ALA 108 5.901 5.325 4.438 854 3HB ALA 108 3HB ALA 108 5.987 5.693 2.697 855 H ILE 109 H ILE 109 4.870 7.544 1.417 856 HA ILE 109 HA ILE 109 6.967 9.422 0.800 857 HB ILE 109 HB ILE 109 4.548 8.473 -0.756 858 1HG1 ILE 109 1HG1 ILE 109 6.540 7.899 -2.397 859 2HG1 ILE 109 2HG1 ILE 109 7.572 8.154 -0.993 860 1HG2 ILE 109 1HG2 ILE 109 5.227 9.644 -2.749 861 2HG2 ILE 109 2HG2 ILE 109 4.839 10.810 -1.506 862 3HG2 ILE 109 3HG2 ILE 109 6.540 10.473 -1.874 863 1HD1 ILE 109 1HD1 ILE 109 6.399 6.362 0.163 864 2HD1 ILE 109 2HD1 ILE 109 5.225 6.229 -1.159 865 3HD1 ILE 109 3HD1 ILE 109 6.909 5.795 -1.462 866 H TYR 110 H TYR 110 3.796 9.996 2.124 867 HA TYR 110 HA TYR 110 3.793 12.878 1.528 868 1HB TYR 110 1HB TYR 110 1.783 11.207 2.027 869 2HB TYR 110 2HB TYR 110 2.114 11.563 3.695 870 HD1 TYR 110 HD1 TYR 110 2.907 14.688 3.006 871 HD2 TYR 110 HD2 TYR 110 -0.389 12.037 2.277 872 HE1 TYR 110 HE1 TYR 110 1.447 16.628 2.640 873 HE2 TYR 110 HE2 TYR 110 -1.898 13.991 1.875 874 HH TYR 110 HH TYR 110 -0.668 17.372 1.899 875 H GLU 111 H GLU 111 4.118 10.801 4.390 876 HA GLU 111 HA GLU 111 4.838 12.849 6.230 877 1HB GLU 111 1HB GLU 111 3.758 10.423 6.430 878 2HB GLU 111 2HB GLU 111 5.436 9.867 6.445 879 1HG GLU 111 1HG GLU 111 5.735 11.586 8.325 880 2HG GLU 111 2HG GLU 111 3.996 11.730 8.374 881 H GLU 112 H GLU 112 6.782 11.094 3.863 882 HA GLU 112 HA GLU 112 9.355 11.503 5.025 883 1HB GLU 112 1HB GLU 112 8.207 10.824 2.293 884 2HB GLU 112 2HB GLU 112 9.874 11.297 2.439 885 1HG GLU 112 1HG GLU 112 8.638 8.931 3.887 886 2HG GLU 112 2HG GLU 112 9.650 8.859 2.454 887 H LYS 113 H LYS 113 7.192 13.409 2.896 888 HA LYS 113 HA LYS 113 9.254 15.342 2.286 889 1HB LYS 113 1HB LYS 113 6.986 14.850 1.051 890 2HB LYS 113 2HB LYS 113 6.299 15.990 2.229 891 1HG LYS 113 1HG LYS 113 8.123 17.631 1.519 892 2HG LYS 113 2HG LYS 113 8.614 16.474 0.286 893 1HD LYS 113 1HD LYS 113 6.486 16.653 -0.833 894 2HD LYS 113 2HD LYS 113 5.793 17.620 0.471 895 1HE LYS 113 1HE LYS 113 8.312 18.549 -0.948 896 2HE LYS 113 2HE LYS 113 6.737 18.797 -1.713 897 1HZ LYS 113 1HZ LYS 113 7.316 19.737 1.022 898 2HZ LYS 113 2HZ LYS 113 7.522 20.661 -0.319 899 3HZ LYS 113 3HZ LYS 113 6.016 20.098 0.060 900 H LEU 114 H LEU 114 7.336 14.703 5.007 901 HA LEU 114 HA LEU 114 7.689 17.346 6.315 902 1HB LEU 114 1HB LEU 114 6.154 14.804 6.983 903 2HB LEU 114 2HB LEU 114 6.584 15.976 8.217 904 HG LEU 114 HG LEU 114 5.397 17.744 7.027 905 1HD1 LEU 114 1HD1 LEU 114 4.489 15.556 5.137 906 2HD1 LEU 114 2HD1 LEU 114 3.720 17.148 5.278 907 3HD1 LEU 114 3HD1 LEU 114 5.388 17.032 4.719 908 1HD2 LEU 114 1HD2 LEU 114 4.340 16.502 8.838 909 2HD2 LEU 114 2HD2 LEU 114 3.144 16.974 7.628 910 3HD2 LEU 114 3HD2 LEU 114 3.730 15.295 7.685 911 H ALA 115 H ALA 115 8.697 13.889 6.561 912 HA ALA 115 HA ALA 115 10.253 14.296 8.926 913 1HB ALA 115 1HB ALA 115 10.460 12.079 6.843 914 2HB ALA 115 2HB ALA 115 11.188 12.065 8.455 915 3HB ALA 115 3HB ALA 115 9.429 12.070 8.305 916 H GLN 116 H GLN 116 11.037 14.422 5.453 917 HA GLN 116 HA GLN 116 13.863 14.627 5.803 918 1HB GLN 116 1HB GLN 116 14.012 15.099 3.514 919 2HB GLN 116 2HB GLN 116 12.678 13.968 3.705 920 1HG GLN 116 1HG GLN 116 11.099 15.975 3.575 921 2HG GLN 116 2HG GLN 116 12.499 16.969 3.186 922 1HE2 GLN 116 1HE2 GLN 116 11.679 17.508 1.053 923 2HE2 GLN 116 2HE2 GLN 116 11.639 16.258 -0.211 924 H ALA 117 H ALA 117 11.256 16.933 6.018 925 HA ALA 117 HA ALA 117 12.870 19.337 5.886 926 1HB ALA 117 1HB ALA 117 10.141 18.885 7.195 927 2HB ALA 117 2HB ALA 117 10.902 20.429 6.882 928 3HB ALA 117 3HB ALA 117 10.421 19.406 5.518 929 H ARG 118 H ARG 118 11.574 17.256 8.529 930 HA ARG 118 HA ARG 118 12.971 18.615 10.622 931 1HB ARG 118 1HB ARG 118 11.190 16.476 10.601 932 2HB ARG 118 2HB ARG 118 12.705 15.640 10.875 933 1HG ARG 118 1HG ARG 118 12.244 16.100 13.057 934 2HG ARG 118 2HG ARG 118 13.059 17.617 12.697 935 1HD ARG 118 1HD ARG 118 10.107 17.008 12.849 936 2HD ARG 118 2HD ARG 118 11.004 18.166 13.839 937 HE ARG 118 HE ARG 118 11.279 19.529 11.763 938 1HH1 ARG 118 2HH2 ARG 118 8.319 17.585 12.228 939 2HH1 ARG 118 1HH2 ARG 118 7.569 18.216 10.774 940 1HH2 ARG 118 2HH1 ARG 118 10.209 20.274 9.804 941 2HH2 ARG 118 1HH1 ARG 118 8.588 19.686 9.484 942 H GLU 119 H GLU 119 13.936 15.975 8.457 943 HA GLU 119 HA GLU 119 16.306 15.213 9.712 944 1HB GLU 119 1HB GLU 119 15.027 14.031 7.889 945 2HB GLU 119 2HB GLU 119 15.740 15.166 6.729 946 1HG GLU 119 1HG GLU 119 17.957 14.347 7.200 947 2HG GLU 119 2HG GLU 119 17.362 13.358 8.546 948 H SER 120 H SER 120 15.691 17.938 7.490 949 HA SER 120 HA SER 120 18.378 18.700 7.038 950 1HB SER 120 1HB SER 120 15.947 20.512 7.374 951 2HB SER 120 2HB SER 120 17.460 20.920 6.557 952 HG SER 120 HG SER 120 17.037 19.206 5.097 953 H ILE 121 H ILE 121 16.149 19.542 9.748 954 HA ILE 121 HA ILE 121 18.070 21.263 11.057 955 HB ILE 121 HB ILE 121 15.472 19.930 11.930 956 1HG1 ILE 121 1HG1 ILE 121 14.826 22.380 12.233 957 2HG1 ILE 121 2HG1 ILE 121 16.336 22.818 11.439 958 1HG2 ILE 121 1HG2 ILE 121 17.230 21.710 13.652 959 2HG2 ILE 121 2HG2 ILE 121 15.568 21.209 14.039 960 3HG2 ILE 121 3HG2 ILE 121 16.844 20.003 13.959 961 1HD1 ILE 121 1HD1 ILE 121 14.292 22.887 9.990 962 2HD1 ILE 121 2HD1 ILE 121 15.546 21.828 9.346 963 3HD1 ILE 121 3HD1 ILE 121 14.132 21.131 10.186 964 H ILE 122 H ILE 122 17.374 17.752 11.165 965 HA ILE 122 HA ILE 122 19.369 17.353 13.262 966 HB ILE 122 HB ILE 122 18.324 15.161 11.480 967 1HG1 ILE 122 1HG1 ILE 122 16.281 16.198 12.234 968 2HG1 ILE 122 2HG1 ILE 122 16.520 14.714 13.094 969 1HG2 ILE 122 1HG2 ILE 122 20.153 14.588 13.048 970 2HG2 ILE 122 2HG2 ILE 122 19.228 15.216 14.406 971 3HG2 ILE 122 3HG2 ILE 122 18.661 13.791 13.508 972 1HD1 ILE 122 1HD1 ILE 122 15.630 16.506 14.537 973 2HD1 ILE 122 2HD1 ILE 122 17.194 15.936 15.127 974 3HD1 ILE 122 3HD1 ILE 122 17.080 17.482 14.253 975 H ALA 123 H ALA 123 19.555 17.849 9.797 976 HA ALA 123 HA ALA 123 22.086 16.600 9.441 977 1HB ALA 123 1HB ALA 123 22.128 17.650 7.271 978 2HB ALA 123 2HB ALA 123 20.494 17.041 7.539 979 3HB ALA 123 3HB ALA 123 20.853 18.775 7.706 980 H ASP 124 H ASP 124 20.905 19.922 9.996 981 HA ASP 124 HA ASP 124 23.426 21.219 10.361 982 1HB ASP 124 1HB ASP 124 20.825 21.845 11.821 983 2HB ASP 124 2HB ASP 124 22.171 22.944 11.541 984 H ASN 125 H ASN 125 21.488 19.187 12.235 985 HA ASN 125 HA ASN 125 21.520 17.953 14.008 986 1HB ASN 125 1HB ASN 125 23.644 17.171 12.814 987 2HB ASN 125 2HB ASN 125 24.545 18.009 14.069 988 1HD2 ASN 125 1HD2 ASN 125 22.197 15.472 13.397 989 2HD2 ASN 125 2HD2 ASN 125 22.321 14.615 14.936 990 H ASN 126 H ASN 126 24.252 20.077 14.819 991 HA ASN 126 HA ASN 126 22.949 20.600 17.473 992 1HB ASN 126 1HB ASN 126 24.693 18.803 17.579 993 2HB ASN 126 2HB ASN 126 25.885 19.972 17.025 994 1HD2 ASN 126 1HD2 ASN 126 26.929 21.091 18.604 995 2HD2 ASN 126 2HD2 ASN 126 26.403 21.279 20.274 996 H ILE 127 H ILE 127 24.697 21.828 14.746 997 HA ILE 127 HA ILE 127 25.289 23.710 13.979 998 HB ILE 127 HB ILE 127 22.890 24.130 14.141 999 1HG1 ILE 127 1HG1 ILE 127 22.882 26.500 13.644 1000 2HG1 ILE 127 2HG1 ILE 127 24.489 26.708 14.324 1001 1HG2 ILE 127 1HG2 ILE 127 22.420 24.340 16.477 1002 2HG2 ILE 127 2HG2 ILE 127 23.538 25.710 16.646 1003 3HG2 ILE 127 3HG2 ILE 127 22.031 25.878 15.720 1004 1HD1 ILE 127 1HD1 ILE 127 25.459 25.337 12.529 1005 2HD1 ILE 127 2HD1 ILE 127 23.830 24.922 11.934 1006 3HD1 ILE 127 3HD1 ILE 127 24.428 26.591 11.827 1007 H GLN 128 H GLN 128 26.524 22.616 16.242 1008 HA GLN 128 HA GLN 128 28.588 24.530 16.825 1009 1HB GLN 128 1HB GLN 128 27.088 25.213 18.586 1010 2HB GLN 128 2HB GLN 128 26.621 23.566 18.969 1011 1HG GLN 128 1HG GLN 128 29.507 24.410 19.344 1012 2HG GLN 128 2HG GLN 128 28.283 24.920 20.500 1013 1HE2 GLN 128 1HE2 GLN 128 29.878 22.063 19.160 1014 2HE2 GLN 128 2HE2 GLN 128 29.439 20.984 20.480 Start of MODEL 18 1 1H MET 1 H MET 1 -29.141 19.562 -1.751 2 HA MET 1 HA MET 1 -26.720 19.635 -1.428 3 1HB MET 1 1HB MET 1 -28.435 21.888 -0.300 4 2HB MET 1 2HB MET 1 -26.681 22.004 -0.492 5 1HG MET 1 1HG MET 1 -27.732 23.014 -2.402 6 2HG MET 1 2HG MET 1 -26.867 21.560 -2.898 7 1HE MET 1 1HE MET 1 -28.956 23.142 -4.725 8 2HE MET 1 2HE MET 1 -28.079 21.686 -5.251 9 3HE MET 1 3HE MET 1 -29.843 21.785 -5.452 10 H LYS 2 H LYS 2 -25.054 19.457 -0.028 11 HA LYS 2 HA LYS 2 -25.419 19.391 2.884 12 1HB LYS 2 1HB LYS 2 -25.879 17.090 1.939 13 2HB LYS 2 2HB LYS 2 -24.282 17.101 1.185 14 1HG LYS 2 1HG LYS 2 -23.211 17.120 3.377 15 2HG LYS 2 2HG LYS 2 -24.789 17.298 4.184 16 1HD LYS 2 1HD LYS 2 -25.510 15.118 3.312 17 2HD LYS 2 2HD LYS 2 -23.974 14.909 2.464 18 1HE LYS 2 1HE LYS 2 -24.217 15.233 5.495 19 2HE LYS 2 2HE LYS 2 -24.216 13.666 4.665 20 1HZ LYS 2 1HZ LYS 2 -22.015 14.149 5.391 21 2HZ LYS 2 2HZ LYS 2 -22.055 14.215 3.756 22 3HZ LYS 2 3HZ LYS 2 -22.000 15.614 4.639 23 H ALA 3 H ALA 3 -23.130 19.620 3.864 24 HA ALA 3 HA ALA 3 -21.476 21.379 2.293 25 1HB ALA 3 1HB ALA 3 -20.742 19.815 4.807 26 2HB ALA 3 2HB ALA 3 -19.862 21.187 4.108 27 3HB ALA 3 3HB ALA 3 -21.487 21.430 4.771 28 H LEU 4 H LEU 4 -19.860 20.901 0.928 29 HA LEU 4 HA LEU 4 -19.905 18.396 -0.406 30 1HB LEU 4 1HB LEU 4 -18.071 20.804 -0.623 31 2HB LEU 4 2HB LEU 4 -17.935 19.417 -1.672 32 HG LEU 4 HG LEU 4 -19.042 21.062 -2.848 33 1HD1 LEU 4 1HD1 LEU 4 -19.860 18.723 -3.129 34 2HD1 LEU 4 2HD1 LEU 4 -21.226 19.101 -2.057 35 3HD1 LEU 4 3HD1 LEU 4 -21.039 19.960 -3.600 36 1HD2 LEU 4 1HD2 LEU 4 -21.273 21.271 -0.797 37 2HD2 LEU 4 2HD2 LEU 4 -19.953 22.447 -1.010 38 3HD2 LEU 4 3HD2 LEU 4 -21.104 22.168 -2.316 39 H GLU 5 H GLU 5 -18.102 19.221 2.323 40 HA GLU 5 HA GLU 5 -15.821 18.236 2.770 41 1HB GLU 5 1HB GLU 5 -18.226 16.865 4.020 42 2HB GLU 5 2HB GLU 5 -16.591 16.885 4.693 43 1HG GLU 5 1HG GLU 5 -18.475 19.242 4.338 44 2HG GLU 5 2HG GLU 5 -17.984 18.499 5.858 45 H HIS 6 H HIS 6 -14.688 17.075 1.367 46 HA HIS 6 HA HIS 6 -15.267 14.175 1.033 47 1HB HIS 6 1HB HIS 6 -14.858 14.342 -1.377 48 2HB HIS 6 2HB HIS 6 -16.269 15.260 -0.902 49 HD1 HIS 6 HD1 HIS 6 -16.116 17.906 -1.155 50 HD2 HIS 6 HD2 HIS 6 -12.729 15.713 -2.345 51 HE1 HIS 6 HE1 HIS 6 -14.570 19.571 -2.427 52 HE2 HIS 6 HE2 HIS 6 -12.473 18.184 -3.133 53 H GLU 7 H GLU 7 -13.333 15.434 2.771 54 HA GLU 7 HA GLU 7 -11.328 14.794 3.501 55 1HB GLU 7 1HB GLU 7 -10.558 13.621 0.825 56 2HB GLU 7 2HB GLU 7 -9.778 13.380 2.370 57 1HG GLU 7 1HG GLU 7 -11.512 12.055 3.246 58 2HG GLU 7 2HG GLU 7 -12.680 12.555 2.029 59 H LYS 8 H LYS 8 -11.943 17.386 1.741 60 HA LYS 8 HA LYS 8 -11.045 19.207 1.229 61 1HB LYS 8 1HB LYS 8 -8.373 18.269 2.301 62 2HB LYS 8 2HB LYS 8 -8.888 19.855 1.734 63 1HG LYS 8 1HG LYS 8 -10.385 20.200 3.523 64 2HG LYS 8 2HG LYS 8 -10.248 18.522 4.083 65 1HD LYS 8 1HD LYS 8 -7.912 18.843 4.674 66 2HD LYS 8 2HD LYS 8 -7.903 20.467 3.955 67 1HE LYS 8 1HE LYS 8 -9.463 21.293 5.612 68 2HE LYS 8 2HE LYS 8 -9.684 19.674 6.297 69 1HZ LYS 8 1HZ LYS 8 -7.098 21.098 6.230 70 2HZ LYS 8 2HZ LYS 8 -8.082 21.123 7.520 71 3HZ LYS 8 3HZ LYS 8 -7.407 19.703 7.027 72 H THR 9 H THR 9 -8.099 17.323 0.471 73 HA THR 9 HA THR 9 -8.891 17.399 -2.399 74 HB THR 9 HB THR 9 -6.594 17.917 -2.939 75 HG1 THR 9 1HG THR 9 -5.731 17.106 -0.877 76 1HG2 THR 9 1HG2 THR 9 -6.601 20.274 -2.180 77 2HG2 THR 9 2HG2 THR 9 -8.258 19.767 -2.590 78 3HG2 THR 9 3HG2 THR 9 -7.736 19.899 -0.894 79 HA PRO 10 HA PRO 10 -7.751 13.046 -1.305 80 1HB PRO 10 1HB PRO 10 -9.612 11.821 -2.917 81 2HB PRO 10 2HB PRO 10 -9.910 12.297 -1.218 82 1HG PRO 10 1HG PRO 10 -10.659 13.782 -3.741 83 2HG PRO 10 2HG PRO 10 -11.628 13.492 -2.259 84 1HD PRO 10 1HD PRO 10 -10.343 15.852 -2.724 85 2HD PRO 10 2HD PRO 10 -10.511 15.193 -1.076 86 H GLU 11 H GLU 11 -8.057 15.061 -4.164 87 HA GLU 11 HA GLU 11 -6.762 13.279 -5.998 88 1HB GLU 11 1HB GLU 11 -6.655 16.323 -6.001 89 2HB GLU 11 2HB GLU 11 -6.373 15.208 -7.336 90 1HG GLU 11 1HG GLU 11 -8.519 15.638 -7.877 91 2HG GLU 11 2HG GLU 11 -8.926 14.459 -6.637 92 H LEU 12 H LEU 12 -5.548 15.663 -3.567 93 HA LEU 12 HA LEU 12 -2.825 15.507 -4.468 94 1HB LEU 12 1HB LEU 12 -3.631 17.280 -2.873 95 2HB LEU 12 2HB LEU 12 -3.805 16.028 -1.638 96 HG LEU 12 HG LEU 12 -1.268 15.490 -2.093 97 1HD1 LEU 12 1HD1 LEU 12 -1.021 16.794 -4.182 98 2HD1 LEU 12 2HD1 LEU 12 -1.394 18.287 -3.281 99 3HD1 LEU 12 3HD1 LEU 12 0.070 17.347 -2.916 100 1HD2 LEU 12 1HD2 LEU 12 -2.080 16.437 -0.063 101 2HD2 LEU 12 2HD2 LEU 12 -0.542 17.170 -0.550 102 3HD2 LEU 12 3HD2 LEU 12 -2.070 18.071 -0.785 103 H ALA 13 H ALA 13 -4.725 13.657 -2.061 104 HA ALA 13 HA ALA 13 -2.593 11.976 -1.195 105 1HB ALA 13 1HB ALA 13 -4.402 10.433 -0.483 106 2HB ALA 13 2HB ALA 13 -4.704 12.105 0.004 107 3HB ALA 13 3HB ALA 13 -5.573 11.412 -1.379 108 H ALA 14 H ALA 14 -4.683 11.852 -4.087 109 HA ALA 14 HA ALA 14 -3.629 9.297 -4.974 110 1HB ALA 14 1HB ALA 14 -5.159 11.390 -6.543 111 2HB ALA 14 2HB ALA 14 -4.880 9.693 -6.983 112 3HB ALA 14 3HB ALA 14 -5.890 10.083 -5.580 113 H LYS 15 H LYS 15 -2.399 12.647 -5.173 114 HA LYS 15 HA LYS 15 -0.598 11.920 -7.447 115 1HB LYS 15 1HB LYS 15 -1.077 14.451 -5.847 116 2HB LYS 15 2HB LYS 15 0.480 14.186 -6.625 117 1HG LYS 15 1HG LYS 15 -0.764 15.395 -8.196 118 2HG LYS 15 2HG LYS 15 -0.703 13.750 -8.806 119 1HD LYS 15 1HD LYS 15 -2.985 13.311 -8.095 120 2HD LYS 15 2HD LYS 15 -3.071 14.880 -7.260 121 1HE LYS 15 1HE LYS 15 -2.408 14.751 -10.201 122 2HE LYS 15 2HE LYS 15 -4.093 14.634 -9.665 123 1HZ LYS 15 1HZ LYS 15 -4.144 16.725 -8.996 124 2HZ LYS 15 2HZ LYS 15 -2.561 16.810 -8.526 125 3HZ LYS 15 3HZ LYS 15 -2.966 16.925 -10.132 126 H LEU 16 H LEU 16 -0.547 12.486 -3.958 127 HA LEU 16 HA LEU 16 2.150 11.883 -3.386 128 1HB LEU 16 1HB LEU 16 0.630 12.864 -1.764 129 2HB LEU 16 2HB LEU 16 -0.512 11.537 -1.953 130 HG LEU 16 HG LEU 16 1.084 9.971 -0.898 131 1HD1 LEU 16 1HD1 LEU 16 3.179 11.179 -1.477 132 2HD1 LEU 16 2HD1 LEU 16 2.743 12.478 -0.349 133 3HD1 LEU 16 3HD1 LEU 16 3.045 10.820 0.234 134 1HD2 LEU 16 1HD2 LEU 16 -0.716 11.146 0.351 135 2HD2 LEU 16 2HD2 LEU 16 0.684 10.815 1.366 136 3HD2 LEU 16 3HD2 LEU 16 0.408 12.456 0.735 137 H ALA 17 H ALA 17 -0.771 9.768 -3.674 138 HA ALA 17 HA ALA 17 0.600 7.334 -3.376 139 1HB ALA 17 1HB ALA 17 -1.357 6.313 -4.477 140 2HB ALA 17 2HB ALA 17 -1.824 7.456 -3.226 141 3HB ALA 17 3HB ALA 17 -1.927 7.918 -4.947 142 H ALA 18 H ALA 18 0.571 9.512 -6.197 143 HA ALA 18 HA ALA 18 1.252 7.425 -8.108 144 1HB ALA 18 1HB ALA 18 1.780 10.410 -8.369 145 2HB ALA 18 2HB ALA 18 1.750 9.185 -9.635 146 3HB ALA 18 3HB ALA 18 0.242 9.620 -8.806 147 H GLU 19 H GLU 19 3.021 9.897 -6.178 148 HA GLU 19 HA GLU 19 5.663 9.144 -6.913 149 1HB GLU 19 1HB GLU 19 4.663 10.127 -4.212 150 2HB GLU 19 2HB GLU 19 6.334 10.180 -4.762 151 1HG GLU 19 1HG GLU 19 4.019 11.719 -6.023 152 2HG GLU 19 2HG GLU 19 5.095 12.346 -4.793 153 H ALA 20 H ALA 20 3.456 7.867 -4.445 154 HA ALA 20 HA ALA 20 5.271 5.955 -3.316 155 1HB ALA 20 1HB ALA 20 3.279 5.031 -2.274 156 2HB ALA 20 2HB ALA 20 3.124 6.797 -2.248 157 3HB ALA 20 3HB ALA 20 2.218 5.826 -3.431 158 H ILE 21 H ILE 21 2.729 5.673 -5.816 159 HA ILE 21 HA ILE 21 3.103 2.932 -6.437 160 HB ILE 21 HB ILE 21 1.832 5.366 -7.689 161 1HG1 ILE 21 1HG1 ILE 21 0.752 2.587 -7.131 162 2HG1 ILE 21 2HG1 ILE 21 0.780 3.868 -5.936 163 1HG2 ILE 21 1HG2 ILE 21 2.740 4.526 -9.684 164 2HG2 ILE 21 2HG2 ILE 21 2.179 2.883 -9.321 165 3HG2 ILE 21 3HG2 ILE 21 1.023 4.184 -9.677 166 1HD1 ILE 21 1HD1 ILE 21 -1.442 3.731 -6.877 167 2HD1 ILE 21 2HD1 ILE 21 -0.702 5.252 -7.413 168 3HD1 ILE 21 3HD1 ILE 21 -0.830 3.862 -8.523 169 H GLU 22 H GLU 22 4.921 5.809 -7.521 170 HA GLU 22 HA GLU 22 6.132 4.217 -9.628 171 1HB GLU 22 1HB GLU 22 5.716 6.668 -9.788 172 2HB GLU 22 2HB GLU 22 6.879 6.922 -8.488 173 1HG GLU 22 1HG GLU 22 7.952 7.351 -10.627 174 2HG GLU 22 2HG GLU 22 8.690 5.928 -9.898 175 H ARG 23 H ARG 23 6.787 4.774 -6.232 176 HA ARG 23 HA ARG 23 9.461 3.536 -6.453 177 1HB ARG 23 1HB ARG 23 8.644 5.440 -4.741 178 2HB ARG 23 2HB ARG 23 8.115 4.049 -3.795 179 1HG ARG 23 1HG ARG 23 10.398 3.083 -3.951 180 2HG ARG 23 2HG ARG 23 10.916 4.440 -4.962 181 1HD ARG 23 1HD ARG 23 10.474 6.006 -3.087 182 2HD ARG 23 2HD ARG 23 10.037 4.640 -2.049 183 HE ARG 23 HE ARG 23 12.686 5.503 -2.926 184 1HH1 ARG 23 2HH2 ARG 23 10.878 2.641 -1.835 185 2HH1 ARG 23 1HH2 ARG 23 12.291 1.743 -1.374 186 1HH2 ARG 23 2HH1 ARG 23 14.562 4.350 -2.159 187 2HH2 ARG 23 1HH1 ARG 23 14.412 2.717 -1.614 188 H ASP 24 H ASP 24 6.137 2.663 -5.634 189 HA ASP 24 HA ASP 24 7.009 -0.023 -4.744 190 1HB ASP 24 1HB ASP 24 5.684 1.301 -3.126 191 2HB ASP 24 2HB ASP 24 4.365 1.375 -4.259 192 HA PRO 25 HA PRO 25 5.122 -0.916 -8.802 193 1HB PRO 25 1HB PRO 25 6.256 -3.415 -9.169 194 2HB PRO 25 2HB PRO 25 6.959 -1.858 -9.703 195 1HG PRO 25 1HG PRO 25 7.594 -3.454 -7.229 196 2HG PRO 25 2HG PRO 25 8.697 -2.559 -8.331 197 1HD PRO 25 1HD PRO 25 7.844 -1.586 -5.905 198 2HD PRO 25 2HD PRO 25 8.224 -0.518 -7.296 199 H TRP 26 H TRP 26 4.978 -2.515 -5.608 200 HA TRP 26 HA TRP 26 2.883 -4.370 -6.491 201 1HB TRP 26 1HB TRP 26 4.192 -4.928 -4.501 202 2HB TRP 26 2HB TRP 26 3.713 -3.423 -3.720 203 HD1 TRP 26 HD TRP 26 1.928 -3.688 -2.057 204 HE1 TRP 26 1HE TRP 26 -0.152 -5.131 -1.668 205 HE3 TRP 26 3HE TRP 26 2.432 -6.735 -6.084 206 HZ2 TRP 26 2HZ TRP 26 -1.424 -7.418 -3.026 207 HZ3 TRP 26 3HZ TRP 26 1.033 -8.755 -6.322 208 HH2 TRP 26 HH TRP 26 -1.002 -9.030 -4.892 209 H ALA 27 H ALA 27 3.022 -1.103 -4.854 210 HA ALA 27 HA ALA 27 0.210 -0.714 -4.814 211 1HB ALA 27 1HB ALA 27 2.353 1.383 -5.314 212 2HB ALA 27 2HB ALA 27 0.714 1.666 -4.708 213 3HB ALA 27 3HB ALA 27 1.907 0.811 -3.715 214 H ALA 28 H ALA 28 2.619 -0.152 -7.398 215 HA ALA 28 HA ALA 28 0.897 1.084 -9.298 216 1HB ALA 28 1HB ALA 28 3.446 0.922 -9.432 217 2HB ALA 28 2HB ALA 28 3.248 -0.766 -9.926 218 3HB ALA 28 3HB ALA 28 2.599 0.519 -10.938 219 H GLN 29 H GLN 29 1.793 -2.313 -8.750 220 HA GLN 29 HA GLN 29 0.285 -3.435 -10.883 221 1HB GLN 29 1HB GLN 29 1.522 -4.495 -8.336 222 2HB GLN 29 2HB GLN 29 0.485 -5.538 -9.284 223 1HG GLN 29 1HG GLN 29 1.835 -5.261 -11.276 224 2HG GLN 29 2HG GLN 29 2.846 -4.040 -10.506 225 1HE2 GLN 29 1HE2 GLN 29 4.215 -6.036 -11.582 226 2HE2 GLN 29 2HE2 GLN 29 4.768 -7.213 -10.408 227 H VAL 30 H VAL 30 -0.579 -2.957 -7.374 228 HA VAL 30 HA VAL 30 -3.080 -4.241 -7.619 229 HB VAL 30 HB VAL 30 -2.112 -2.016 -5.773 230 1HG1 VAL 30 1HG1 VAL 30 -3.994 -2.594 -4.252 231 2HG1 VAL 30 2HG1 VAL 30 -4.565 -1.880 -5.757 232 3HG1 VAL 30 3HG1 VAL 30 -4.691 -3.632 -5.520 233 1HG2 VAL 30 1HG2 VAL 30 -2.603 -4.982 -5.221 234 2HG2 VAL 30 2HG2 VAL 30 -1.020 -4.311 -5.601 235 3HG2 VAL 30 3HG2 VAL 30 -1.842 -3.784 -4.138 236 H SER 31 H SER 31 -2.137 -0.966 -8.539 237 HA SER 31 HA SER 31 -4.817 -0.097 -9.060 238 1HB SER 31 1HB SER 31 -2.789 1.376 -8.668 239 2HB SER 31 2HB SER 31 -2.196 0.922 -10.270 240 HG SER 31 HG SER 31 -4.740 2.115 -9.815 241 H GLN 32 H GLN 32 -2.495 -1.965 -10.925 242 HA GLN 32 HA GLN 32 -3.985 -1.772 -13.456 243 1HB GLN 32 1HB GLN 32 -1.580 -2.004 -13.523 244 2HB GLN 32 2HB GLN 32 -1.621 -3.464 -12.532 245 1HG GLN 32 1HG GLN 32 -2.741 -4.719 -14.264 246 2HG GLN 32 2HG GLN 32 -2.945 -3.265 -15.250 247 1HE2 GLN 32 1HE2 GLN 32 -1.059 -6.008 -15.001 248 2HE2 GLN 32 2HE2 GLN 32 0.480 -5.396 -15.617 249 H LEU 33 H LEU 33 -3.642 -3.945 -10.704 250 HA LEU 33 HA LEU 33 -5.062 -6.169 -11.928 251 1HB LEU 33 1HB LEU 33 -4.351 -5.618 -9.013 252 2HB LEU 33 2HB LEU 33 -5.029 -7.109 -9.633 253 HG LEU 33 HG LEU 33 -2.246 -6.034 -9.921 254 1HD1 LEU 33 1HD1 LEU 33 -3.218 -8.831 -9.359 255 2HD1 LEU 33 2HD1 LEU 33 -1.567 -8.211 -9.236 256 3HD1 LEU 33 3HD1 LEU 33 -2.807 -7.618 -8.123 257 1HD2 LEU 33 1HD2 LEU 33 -2.885 -6.447 -12.259 258 2HD2 LEU 33 2HD2 LEU 33 -1.685 -7.562 -11.673 259 3HD2 LEU 33 3HD2 LEU 33 -3.386 -8.101 -11.819 260 H SER 34 H SER 34 -6.001 -3.355 -10.351 261 HA SER 34 HA SER 34 -7.923 -2.529 -9.418 262 1HB SER 34 1HB SER 34 -8.966 -3.806 -11.967 263 2HB SER 34 2HB SER 34 -9.897 -2.719 -10.923 264 HG SER 34 HG SER 34 -7.656 -2.144 -12.535 265 H LEU 35 H LEU 35 -7.588 -4.034 -7.630 266 HA LEU 35 HA LEU 35 -9.345 -6.357 -7.338 267 1HB LEU 35 1HB LEU 35 -7.600 -4.699 -5.507 268 2HB LEU 35 2HB LEU 35 -8.786 -5.819 -4.839 269 HG LEU 35 HG LEU 35 -7.742 -7.734 -5.708 270 1HD1 LEU 35 1HD1 LEU 35 -5.742 -7.710 -7.192 271 2HD1 LEU 35 2HD1 LEU 35 -7.183 -7.096 -7.999 272 3HD1 LEU 35 3HD1 LEU 35 -5.952 -5.956 -7.402 273 1HD2 LEU 35 1HD2 LEU 35 -5.515 -5.800 -4.908 274 2HD2 LEU 35 2HD2 LEU 35 -6.546 -6.709 -3.791 275 3HD2 LEU 35 3HD2 LEU 35 -5.423 -7.567 -4.851 276 HA PRO 36 HA PRO 36 -13.093 -4.149 -7.079 277 1HB PRO 36 1HB PRO 36 -14.471 -5.379 -4.929 278 2HB PRO 36 2HB PRO 36 -14.409 -5.918 -6.626 279 1HG PRO 36 1HG PRO 36 -12.671 -6.809 -4.330 280 2HG PRO 36 2HG PRO 36 -13.449 -7.809 -5.599 281 1HD PRO 36 1HD PRO 36 -10.849 -7.195 -5.813 282 2HD PRO 36 2HD PRO 36 -11.895 -7.064 -7.254 283 H LYS 37 H LYS 37 -12.679 -4.686 -3.573 284 HA LYS 37 HA LYS 37 -11.469 -2.216 -3.046 285 1HB LYS 37 1HB LYS 37 -13.939 -1.434 -3.482 286 2HB LYS 37 2HB LYS 37 -14.249 -2.081 -1.867 287 1HG LYS 37 1HG LYS 37 -12.511 -0.654 -0.896 288 2HG LYS 37 2HG LYS 37 -11.929 -0.207 -2.500 289 1HD LYS 37 1HD LYS 37 -13.076 1.664 -1.735 290 2HD LYS 37 2HD LYS 37 -14.133 0.920 -2.944 291 1HE LYS 37 1HE LYS 37 -15.400 -0.170 -1.045 292 2HE LYS 37 2HE LYS 37 -14.360 0.701 0.095 293 1HZ LYS 37 1HZ LYS 37 -16.410 1.880 -0.245 294 2HZ LYS 37 2HZ LYS 37 -15.186 2.781 -0.915 295 3HZ LYS 37 3HZ LYS 37 -16.189 1.932 -1.875 296 H LEU 38 H LEU 38 -13.720 -4.642 -1.714 297 HA LEU 38 HA LEU 38 -12.663 -4.887 0.872 298 1HB LEU 38 1HB LEU 38 -14.717 -5.952 0.065 299 2HB LEU 38 2HB LEU 38 -13.826 -7.016 -1.001 300 HG LEU 38 HG LEU 38 -14.741 -8.008 1.120 301 1HD1 LEU 38 1HD1 LEU 38 -12.975 -9.516 1.554 302 2HD1 LEU 38 2HD1 LEU 38 -12.950 -9.137 -0.171 303 3HD1 LEU 38 3HD1 LEU 38 -11.745 -8.415 0.933 304 1HD2 LEU 38 1HD2 LEU 38 -14.160 -6.122 2.630 305 2HD2 LEU 38 2HD2 LEU 38 -13.569 -7.693 3.229 306 3HD2 LEU 38 3HD2 LEU 38 -12.446 -6.551 2.481 307 H VAL 39 H VAL 39 -11.808 -6.685 -2.032 308 HA VAL 39 HA VAL 39 -9.545 -8.004 -0.837 309 HB VAL 39 HB VAL 39 -10.097 -7.600 -3.800 310 1HG1 VAL 39 1HG1 VAL 39 -8.938 -9.760 -4.070 311 2HG1 VAL 39 2HG1 VAL 39 -7.881 -8.594 -3.274 312 3HG1 VAL 39 3HG1 VAL 39 -8.671 -9.853 -2.317 313 1HG2 VAL 39 1HG2 VAL 39 -11.216 -9.718 -1.919 314 2HG2 VAL 39 2HG2 VAL 39 -12.155 -8.479 -2.757 315 3HG2 VAL 39 3HG2 VAL 39 -11.383 -9.738 -3.682 316 H GLU 40 H GLU 40 -9.952 -4.865 -2.460 317 HA GLU 40 HA GLU 40 -7.130 -4.421 -2.928 318 1HB GLU 40 1HB GLU 40 -8.882 -3.156 -4.138 319 2HB GLU 40 2HB GLU 40 -9.414 -2.439 -2.612 320 1HG GLU 40 1HG GLU 40 -7.282 -1.337 -2.295 321 2HG GLU 40 2HG GLU 40 -6.623 -2.108 -3.744 322 H GLN 41 H GLN 41 -9.430 -3.829 -0.204 323 HA GLN 41 HA GLN 41 -7.722 -2.441 1.495 324 1HB GLN 41 1HB GLN 41 -10.287 -3.193 1.661 325 2HB GLN 41 2HB GLN 41 -9.617 -4.491 2.634 326 1HG GLN 41 1HG GLN 41 -8.561 -2.818 4.122 327 2HG GLN 41 2HG GLN 41 -9.202 -1.509 3.122 328 1HE2 GLN 41 1HE2 GLN 41 -11.922 -2.779 2.705 329 2HE2 GLN 41 2HE2 GLN 41 -12.700 -2.762 4.258 330 H VAL 42 H VAL 42 -7.790 -5.899 0.734 331 HA VAL 42 HA VAL 42 -5.981 -6.687 2.873 332 HB VAL 42 HB VAL 42 -6.973 -8.059 0.342 333 1HG1 VAL 42 1HG1 VAL 42 -5.187 -9.345 2.437 334 2HG1 VAL 42 2HG1 VAL 42 -5.975 -10.132 1.068 335 3HG1 VAL 42 3HG1 VAL 42 -4.688 -8.952 0.789 336 1HG2 VAL 42 1HG2 VAL 42 -7.378 -8.523 3.304 337 2HG2 VAL 42 2HG2 VAL 42 -8.550 -7.732 2.228 338 3HG2 VAL 42 3HG2 VAL 42 -8.153 -9.443 1.995 339 H ALA 43 H ALA 43 -5.601 -6.202 -0.697 340 HA ALA 43 HA ALA 43 -2.792 -6.543 -0.665 341 1HB ALA 43 1HB ALA 43 -2.846 -5.445 -2.856 342 2HB ALA 43 2HB ALA 43 -4.150 -6.634 -2.710 343 3HB ALA 43 3HB ALA 43 -4.507 -4.890 -2.566 344 H LEU 44 H LEU 44 -4.760 -3.737 0.028 345 HA LEU 44 HA LEU 44 -2.774 -1.696 0.150 346 1HB LEU 44 1HB LEU 44 -5.567 -2.045 1.183 347 2HB LEU 44 2HB LEU 44 -4.632 -0.706 1.749 348 HG LEU 44 HG LEU 44 -5.247 -1.248 -1.182 349 1HD1 LEU 44 1HD1 LEU 44 -6.769 0.692 -0.942 350 2HD1 LEU 44 2HD1 LEU 44 -7.225 -0.604 0.158 351 3HD1 LEU 44 3HD1 LEU 44 -6.362 0.820 0.779 352 1HD2 LEU 44 1HD2 LEU 44 -3.135 0.001 -1.029 353 2HD2 LEU 44 2HD2 LEU 44 -4.420 1.034 -1.603 354 3HD2 LEU 44 3HD2 LEU 44 -3.885 1.173 0.081 355 H ASN 45 H ASN 45 -3.967 -4.061 2.570 356 HA ASN 45 HA ASN 45 -2.218 -2.695 4.569 357 1HB ASN 45 1HB ASN 45 -4.719 -4.352 4.958 358 2HB ASN 45 2HB ASN 45 -3.650 -3.811 6.259 359 1HD2 ASN 45 1HD2 ASN 45 -6.199 -2.813 4.179 360 2HD2 ASN 45 2HD2 ASN 45 -6.279 -1.145 4.753 361 H ALA 46 H ALA 46 -1.480 -4.729 2.409 362 HA ALA 46 HA ALA 46 0.136 -6.325 4.243 363 1HB ALA 46 1HB ALA 46 -1.273 -7.289 1.705 364 2HB ALA 46 2HB ALA 46 -0.059 -8.231 2.605 365 3HB ALA 46 3HB ALA 46 -1.625 -7.844 3.337 366 H TRP 47 H TRP 47 2.155 -6.961 3.297 367 HA TRP 47 HA TRP 47 2.989 -5.333 0.933 368 1HB TRP 47 1HB TRP 47 5.245 -5.340 1.842 369 2HB TRP 47 2HB TRP 47 4.117 -4.442 2.827 370 HD1 TRP 47 HD TRP 47 3.566 -5.369 5.269 371 HE1 TRP 47 1HE TRP 47 4.889 -6.836 6.858 372 HE3 TRP 47 3HE TRP 47 6.647 -7.649 1.874 373 HZ2 TRP 47 2HZ TRP 47 7.103 -8.708 6.704 374 HZ3 TRP 47 3HZ TRP 47 8.355 -9.290 2.639 375 HH2 TRP 47 HH TRP 47 8.558 -9.846 5.032 376 H LYS 48 H LYS 48 3.995 -6.482 -0.689 377 HA LYS 48 HA LYS 48 3.277 -9.333 -0.636 378 1HB LYS 48 1HB LYS 48 2.641 -7.852 -2.567 379 2HB LYS 48 2HB LYS 48 4.312 -7.455 -2.828 380 1HG LYS 48 1HG LYS 48 4.491 -10.178 -3.000 381 2HG LYS 48 2HG LYS 48 2.791 -9.941 -3.405 382 1HD LYS 48 1HD LYS 48 4.205 -10.170 -5.383 383 2HD LYS 48 2HD LYS 48 3.443 -8.591 -5.338 384 1HE LYS 48 1HE LYS 48 5.471 -7.507 -4.631 385 2HE LYS 48 2HE LYS 48 6.242 -9.065 -4.334 386 1HZ LYS 48 1HZ LYS 48 6.446 -9.426 -6.668 387 2HZ LYS 48 2HZ LYS 48 5.373 -8.229 -7.013 388 3HZ LYS 48 3HZ LYS 48 6.855 -7.853 -6.430 389 H GLU 49 H GLU 49 4.716 -10.822 0.057 390 HA GLU 49 HA GLU 49 7.601 -10.309 -0.423 391 1HB GLU 49 1HB GLU 49 6.882 -10.916 1.899 392 2HB GLU 49 2HB GLU 49 6.329 -12.482 1.284 393 1HG GLU 49 1HG GLU 49 8.635 -12.902 0.391 394 2HG GLU 49 2HG GLU 49 9.143 -11.325 1.013 395 H GLU 50 H GLU 50 7.829 -10.881 -2.517 396 HA GLU 50 HA GLU 50 6.282 -13.152 -3.686 397 1HB GLU 50 1HB GLU 50 6.302 -11.230 -5.054 398 2HB GLU 50 2HB GLU 50 8.036 -11.008 -4.854 399 1HG GLU 50 1HG GLU 50 8.204 -13.363 -6.031 400 2HG GLU 50 2HG GLU 50 6.544 -13.048 -6.528 401 H SER 51 H SER 51 7.138 -15.048 -3.394 402 HA SER 51 HA SER 51 9.791 -15.401 -2.185 403 1HB SER 51 1HB SER 51 7.576 -17.387 -2.771 404 2HB SER 51 2HB SER 51 8.945 -17.632 -1.691 405 HG SER 51 HG SER 51 8.069 -16.063 -0.293 406 H ASP 52 H ASP 52 10.834 -17.518 -3.117 407 HA ASP 52 HA ASP 52 11.971 -17.241 -5.494 408 1HB ASP 52 1HB ASP 52 12.381 -19.061 -3.797 409 2HB ASP 52 2HB ASP 52 11.033 -19.959 -4.494 410 H ASN 53 H ASN 53 8.846 -18.902 -5.080 411 HA ASN 53 HA ASN 53 7.964 -17.996 -7.619 412 1HB ASN 53 1HB ASN 53 9.337 -20.382 -7.901 413 2HB ASN 53 2HB ASN 53 7.681 -20.949 -7.799 414 1HD2 ASN 53 1HD2 ASN 53 10.030 -19.622 -9.810 415 2HD2 ASN 53 2HD2 ASN 53 8.984 -19.008 -11.101 416 H ALA 54 H ALA 54 6.990 -17.284 -5.265 417 HA ALA 54 HA ALA 54 4.295 -18.267 -5.439 418 1HB ALA 54 1HB ALA 54 5.902 -18.616 -2.850 419 2HB ALA 54 2HB ALA 54 4.159 -18.787 -2.968 420 3HB ALA 54 3HB ALA 54 5.211 -19.931 -3.807 421 H VAL 55 H VAL 55 3.052 -16.841 -3.693 422 HA VAL 55 HA VAL 55 4.550 -14.351 -3.123 423 HB VAL 55 HB VAL 55 1.853 -14.367 -4.548 424 1HG1 VAL 55 1HG1 VAL 55 2.324 -11.849 -4.537 425 2HG1 VAL 55 2HG1 VAL 55 1.931 -12.529 -2.949 426 3HG1 VAL 55 3HG1 VAL 55 3.622 -12.188 -3.380 427 1HG2 VAL 55 1HG2 VAL 55 3.073 -13.128 -6.331 428 2HG2 VAL 55 2HG2 VAL 55 4.586 -13.318 -5.433 429 3HG2 VAL 55 3HG2 VAL 55 3.782 -14.730 -6.123 430 H CYS 56 H CYS 56 4.432 -14.004 -1.055 431 HA CYS 56 HA CYS 56 2.026 -14.940 0.438 432 1HB CYS 56 1HB CYS 56 4.824 -14.350 1.529 433 2HB CYS 56 2HB CYS 56 3.489 -15.125 2.385 434 HG CYS 56 HG CYS 56 5.440 -16.155 -0.068 435 H LEU 57 H LEU 57 0.672 -13.191 0.656 436 HA LEU 57 HA LEU 57 1.812 -10.470 0.827 437 1HB LEU 57 1HB LEU 57 -0.932 -11.629 0.504 438 2HB LEU 57 2HB LEU 57 -0.822 -10.063 1.306 439 HG LEU 57 HG LEU 57 0.646 -10.591 -1.300 440 1HD1 LEU 57 1HD1 LEU 57 -1.146 -9.697 -2.559 441 2HD1 LEU 57 2HD1 LEU 57 -1.823 -10.993 -1.578 442 3HD1 LEU 57 3HD1 LEU 57 -2.098 -9.306 -1.101 443 1HD2 LEU 57 1HD2 LEU 57 -0.438 -7.948 -0.225 444 2HD2 LEU 57 2HD2 LEU 57 1.182 -8.521 0.167 445 3HD2 LEU 57 3HD2 LEU 57 0.735 -8.215 -1.510 446 H HIS 58 H HIS 58 2.714 -9.887 2.639 447 HA HIS 58 HA HIS 58 2.046 -11.088 5.247 448 1HB HIS 58 1HB HIS 58 3.980 -8.989 4.223 449 2HB HIS 58 2HB HIS 58 3.753 -9.250 5.933 450 HD1 HIS 58 HD1 HIS 58 5.671 -10.765 6.879 451 HD2 HIS 58 HD2 HIS 58 4.582 -11.574 2.872 452 HE1 HIS 58 HE1 HIS 58 7.158 -12.650 6.099 453 HE2 HIS 58 HE2 HIS 58 6.471 -13.247 3.716 454 H LEU 59 H LEU 59 -0.082 -10.501 5.705 455 HA LEU 59 HA LEU 59 -0.935 -7.678 5.442 456 1HB LEU 59 1HB LEU 59 -2.408 -9.619 4.737 457 2HB LEU 59 2HB LEU 59 -2.534 -10.081 6.425 458 HG LEU 59 HG LEU 59 -3.089 -7.214 6.138 459 1HD1 LEU 59 1HD1 LEU 59 -3.786 -7.804 3.843 460 2HD1 LEU 59 2HD1 LEU 59 -4.943 -8.969 4.533 461 3HD1 LEU 59 3HD1 LEU 59 -5.107 -7.228 4.867 462 1HD2 LEU 59 1HD2 LEU 59 -5.190 -9.268 6.825 463 2HD2 LEU 59 2HD2 LEU 59 -3.890 -8.851 7.958 464 3HD2 LEU 59 3HD2 LEU 59 -5.004 -7.608 7.346 465 H ARG 60 H ARG 60 -1.311 -6.350 7.143 466 HA ARG 60 HA ARG 60 0.058 -6.864 9.564 467 1HB ARG 60 1HB ARG 60 -2.021 -4.783 8.792 468 2HB ARG 60 2HB ARG 60 -1.227 -4.774 10.369 469 1HG ARG 60 1HG ARG 60 0.384 -4.872 7.789 470 2HG ARG 60 2HG ARG 60 -0.124 -3.354 8.487 471 1HD ARG 60 1HD ARG 60 1.266 -3.555 10.365 472 2HD ARG 60 2HD ARG 60 1.239 -5.311 10.335 473 HE ARG 60 HE ARG 60 3.040 -5.373 8.987 474 1HH1 ARG 60 2HH2 ARG 60 1.712 -2.084 8.768 475 2HH1 ARG 60 1HH2 ARG 60 3.087 -1.438 8.026 476 1HH2 ARG 60 2HH1 ARG 60 4.755 -4.604 7.900 477 2HH2 ARG 60 1HH1 ARG 60 4.719 -3.088 7.050 478 H SER 61 H SER 61 -0.427 -7.963 11.370 479 HA SER 61 HA SER 61 -2.758 -9.387 11.756 480 1HB SER 61 1HB SER 61 -0.966 -8.306 13.949 481 2HB SER 61 2HB SER 61 -1.925 -9.801 13.949 482 HG SER 61 HG SER 61 0.289 -10.161 13.492 483 H SER 62 H SER 62 -2.104 -5.999 12.319 484 HA SER 62 HA SER 62 -4.023 -5.180 14.179 485 1HB SER 62 1HB SER 62 -3.350 -3.688 11.614 486 2HB SER 62 2HB SER 62 -3.632 -3.007 13.212 487 HG SER 62 HG SER 62 -1.615 -4.108 13.841 488 H GLN 63 H GLN 63 -4.312 -6.138 10.837 489 HA GLN 63 HA GLN 63 -7.251 -5.682 10.841 490 1HB GLN 63 1HB GLN 63 -5.169 -4.963 8.753 491 2HB GLN 63 2HB GLN 63 -6.886 -5.142 8.347 492 1HG GLN 63 1HG GLN 63 -7.555 -3.442 9.908 493 2HG GLN 63 2HG GLN 63 -5.923 -3.305 10.567 494 1HE2 GLN 63 1HE2 GLN 63 -4.561 -1.792 9.671 495 2HE2 GLN 63 2HE2 GLN 63 -4.864 -0.961 8.181 496 H ARG 64 H ARG 64 -5.616 -8.134 11.495 497 HA ARG 64 HA ARG 64 -5.440 -9.828 9.291 498 1HB ARG 64 1HB ARG 64 -4.723 -10.141 11.762 499 2HB ARG 64 2HB ARG 64 -6.289 -10.875 12.026 500 1HG ARG 64 1HG ARG 64 -4.511 -11.828 9.743 501 2HG ARG 64 2HG ARG 64 -4.111 -12.251 11.398 502 1HD ARG 64 1HD ARG 64 -6.401 -13.237 11.676 503 2HD ARG 64 2HD ARG 64 -6.653 -13.023 9.934 504 HE ARG 64 HE ARG 64 -4.479 -14.632 11.215 505 1HH1 ARG 64 2HH2 ARG 64 -6.743 -14.464 8.468 506 2HH1 ARG 64 1HH2 ARG 64 -5.716 -15.474 7.478 507 1HH2 ARG 64 2HH1 ARG 64 -3.276 -15.884 10.002 508 2HH2 ARG 64 1HH1 ARG 64 -3.724 -16.401 8.384 509 H HIS 65 H HIS 65 -8.332 -8.916 10.981 510 HA HIS 65 HA HIS 65 -10.150 -10.884 10.054 511 1HB HIS 65 1HB HIS 65 -11.730 -8.704 10.218 512 2HB HIS 65 2HB HIS 65 -11.182 -9.613 11.607 513 HD1 HIS 65 HD1 HIS 65 -9.301 -8.501 13.205 514 HD2 HIS 65 HD2 HIS 65 -10.881 -6.129 10.072 515 HE1 HIS 65 HE1 HIS 65 -8.574 -6.071 13.673 516 HE2 HIS 65 HE2 HIS 65 -9.638 -4.633 11.825 517 H LEU 66 H LEU 66 -8.633 -8.189 8.239 518 HA LEU 66 HA LEU 66 -10.508 -8.450 6.016 519 1HB LEU 66 1HB LEU 66 -7.966 -6.870 6.456 520 2HB LEU 66 2HB LEU 66 -8.459 -7.242 4.828 521 HG LEU 66 HG LEU 66 -9.238 -5.061 5.331 522 1HD1 LEU 66 1HD1 LEU 66 -10.657 -6.511 3.911 523 2HD1 LEU 66 2HD1 LEU 66 -11.687 -6.862 5.320 524 3HD1 LEU 66 3HD1 LEU 66 -11.539 -5.211 4.728 525 1HD2 LEU 66 1HD2 LEU 66 -10.870 -6.251 7.625 526 2HD2 LEU 66 2HD2 LEU 66 -9.381 -5.284 7.814 527 3HD2 LEU 66 3HD2 LEU 66 -10.830 -4.554 7.112 528 H ASN 67 H ASN 67 -7.486 -9.998 7.039 529 HA ASN 67 HA ASN 67 -7.059 -11.298 4.435 530 1HB ASN 67 1HB ASN 67 -5.074 -11.087 5.794 531 2HB ASN 67 2HB ASN 67 -5.869 -11.833 7.190 532 1HD2 ASN 67 1HD2 ASN 67 -3.641 -13.103 6.851 533 2HD2 ASN 67 2HD2 ASN 67 -3.801 -14.521 5.839 534 H ASN 68 H ASN 68 -8.972 -12.241 3.910 535 HA ASN 68 HA ASN 68 -9.623 -14.714 5.436 536 1HB ASN 68 1HB ASN 68 -11.924 -14.495 5.010 537 2HB ASN 68 2HB ASN 68 -11.417 -12.969 5.718 538 1HD2 ASN 68 1HD2 ASN 68 -13.357 -14.266 3.382 539 2HD2 ASN 68 2HD2 ASN 68 -13.566 -12.794 2.452 540 H ARG 69 H ARG 69 -9.741 -16.561 4.137 541 HA ARG 69 HA ARG 69 -8.484 -16.408 1.626 542 1HB ARG 69 1HB ARG 69 -9.835 -18.605 3.134 543 2HB ARG 69 2HB ARG 69 -9.573 -18.834 1.402 544 1HG ARG 69 1HG ARG 69 -7.192 -18.278 1.630 545 2HG ARG 69 2HG ARG 69 -7.402 -17.964 3.354 546 1HD ARG 69 1HD ARG 69 -7.854 -20.659 2.004 547 2HD ARG 69 2HD ARG 69 -6.344 -20.182 2.783 548 HE ARG 69 HE ARG 69 -8.794 -21.074 4.041 549 1HH1 ARG 69 2HH2 ARG 69 -5.940 -19.007 4.685 550 2HH1 ARG 69 1HH2 ARG 69 -5.912 -19.390 6.370 551 1HH2 ARG 69 2HH1 ARG 69 -8.709 -21.576 6.257 552 2HH2 ARG 69 1HH1 ARG 69 -7.571 -20.782 7.292 553 H GLY 70 H GLY 70 -11.772 -15.822 2.285 554 1HA GLY 70 1HA GLY 70 -12.913 -16.292 -0.291 555 2HA GLY 70 2HA GLY 70 -13.450 -15.069 0.884 556 H ALA 71 H ALA 71 -11.357 -13.309 1.117 557 HA ALA 71 HA ALA 71 -11.330 -11.820 -1.304 558 1HB ALA 71 1HB ALA 71 -10.976 -10.810 0.938 559 2HB ALA 71 2HB ALA 71 -9.452 -11.696 1.115 560 3HB ALA 71 3HB ALA 71 -9.613 -10.452 -0.134 561 H GLN 72 H GLN 72 -9.001 -14.082 0.167 562 HA GLN 72 HA GLN 72 -6.845 -13.691 -1.551 563 1HB GLN 72 1HB GLN 72 -7.033 -15.151 0.561 564 2HB GLN 72 2HB GLN 72 -7.601 -16.439 -0.510 565 1HG GLN 72 1HG GLN 72 -5.482 -16.310 -1.789 566 2HG GLN 72 2HG GLN 72 -4.942 -14.972 -0.786 567 1HE2 GLN 72 1HE2 GLN 72 -5.224 -18.413 -1.018 568 2HE2 GLN 72 2HE2 GLN 72 -4.434 -18.807 0.509 569 H GLN 73 H GLN 73 -9.847 -15.482 -2.220 570 HA GLN 73 HA GLN 73 -8.926 -16.946 -4.456 571 1HB GLN 73 1HB GLN 73 -11.165 -17.073 -3.088 572 2HB GLN 73 2HB GLN 73 -11.745 -15.801 -4.149 573 1HG GLN 73 1HG GLN 73 -12.507 -17.914 -5.015 574 2HG GLN 73 2HG GLN 73 -11.295 -17.289 -6.124 575 1HE2 GLN 73 1HE2 GLN 73 -11.401 -19.300 -3.090 576 2HE2 GLN 73 2HE2 GLN 73 -10.282 -20.515 -3.683 577 H LYS 74 H LYS 74 -10.359 -13.680 -4.266 578 HA LYS 74 HA LYS 74 -10.289 -13.212 -7.150 579 1HB LYS 74 1HB LYS 74 -11.836 -12.011 -5.666 580 2HB LYS 74 2HB LYS 74 -10.488 -11.377 -4.746 581 1HG LYS 74 1HG LYS 74 -11.410 -9.654 -6.101 582 2HG LYS 74 2HG LYS 74 -9.805 -9.994 -6.715 583 1HD LYS 74 1HD LYS 74 -12.187 -11.377 -7.996 584 2HD LYS 74 2HD LYS 74 -11.947 -9.652 -8.275 585 1HE LYS 74 1HE LYS 74 -9.592 -10.123 -9.018 586 2HE LYS 74 2HE LYS 74 -9.943 -11.853 -8.922 587 1HZ LYS 74 1HZ LYS 74 -10.201 -11.007 -11.123 588 2HZ LYS 74 2HZ LYS 74 -11.665 -11.515 -10.595 589 3HZ LYS 74 3HZ LYS 74 -11.307 -9.891 -10.680 590 H LEU 75 H LEU 75 -8.201 -12.468 -4.342 591 HA LEU 75 HA LEU 75 -6.281 -10.926 -5.748 592 1HB LEU 75 1HB LEU 75 -6.633 -11.845 -3.095 593 2HB LEU 75 2HB LEU 75 -5.157 -12.574 -3.559 594 HG LEU 75 HG LEU 75 -5.812 -9.624 -3.839 595 1HD1 LEU 75 1HD1 LEU 75 -4.237 -11.017 -1.657 596 2HD1 LEU 75 2HD1 LEU 75 -4.437 -9.255 -1.838 597 3HD1 LEU 75 3HD1 LEU 75 -5.843 -10.273 -1.504 598 1HD2 LEU 75 1HD2 LEU 75 -3.960 -10.352 -5.368 599 2HD2 LEU 75 2HD2 LEU 75 -3.511 -9.123 -4.181 600 3HD2 LEU 75 3HD2 LEU 75 -3.023 -10.797 -3.926 601 H ALA 76 H ALA 76 -6.556 -14.478 -5.270 602 HA ALA 76 HA ALA 76 -4.055 -15.175 -6.397 603 1HB ALA 76 1HB ALA 76 -5.028 -17.439 -6.554 604 2HB ALA 76 2HB ALA 76 -5.383 -16.705 -4.980 605 3HB ALA 76 3HB ALA 76 -6.644 -16.786 -6.230 606 H GLU 77 H GLU 77 -7.271 -14.861 -7.832 607 HA GLU 77 HA GLU 77 -6.695 -15.653 -10.498 608 1HB GLU 77 1HB GLU 77 -8.876 -14.847 -9.053 609 2HB GLU 77 2HB GLU 77 -8.546 -13.330 -9.815 610 1HG GLU 77 1HG GLU 77 -8.765 -14.374 -12.047 611 2HG GLU 77 2HG GLU 77 -9.084 -15.937 -11.274 612 H ALA 78 H ALA 78 -6.544 -12.460 -8.883 613 HA ALA 78 HA ALA 78 -5.807 -11.008 -11.210 614 1HB ALA 78 1HB ALA 78 -5.332 -10.269 -8.287 615 2HB ALA 78 2HB ALA 78 -5.452 -9.185 -9.694 616 3HB ALA 78 3HB ALA 78 -6.879 -10.068 -9.154 617 H LEU 79 H LEU 79 -3.803 -12.330 -8.510 618 HA LEU 79 HA LEU 79 -1.339 -11.447 -9.702 619 1HB LEU 79 1HB LEU 79 -2.168 -12.880 -7.320 620 2HB LEU 79 2HB LEU 79 -0.822 -13.731 -8.054 621 HG LEU 79 HG LEU 79 -0.782 -10.714 -7.558 622 1HD1 LEU 79 1HD1 LEU 79 0.246 -12.907 -5.751 623 2HD1 LEU 79 2HD1 LEU 79 0.461 -11.146 -5.536 624 3HD1 LEU 79 3HD1 LEU 79 -1.155 -11.846 -5.449 625 1HD2 LEU 79 1HD2 LEU 79 0.888 -11.651 -9.212 626 2HD2 LEU 79 2HD2 LEU 79 1.655 -10.980 -7.764 627 3HD2 LEU 79 3HD2 LEU 79 1.482 -12.739 -7.960 628 H SER 80 H SER 80 -3.302 -14.377 -10.101 629 HA SER 80 HA SER 80 -1.378 -15.926 -11.587 630 1HB SER 80 1HB SER 80 -4.431 -15.859 -11.628 631 2HB SER 80 2HB SER 80 -3.475 -17.042 -12.482 632 HG SER 80 HG SER 80 -3.578 -16.531 -9.705 633 H MET 81 H MET 81 -3.848 -13.462 -12.487 634 HA MET 81 HA MET 81 -3.488 -13.590 -15.300 635 1HB MET 81 1HB MET 81 -5.422 -12.582 -13.923 636 2HB MET 81 2HB MET 81 -4.382 -11.200 -13.610 637 1HG MET 81 1HG MET 81 -5.883 -10.721 -15.440 638 2HG MET 81 2HG MET 81 -4.218 -10.740 -15.997 639 1HE MET 81 1HE MET 81 -7.704 -12.534 -16.035 640 2HE MET 81 2HE MET 81 -7.339 -14.045 -16.899 641 3HE MET 81 3HE MET 81 -6.693 -13.782 -15.272 642 H LEU 82 H LEU 82 -1.977 -11.729 -12.723 643 HA LEU 82 HA LEU 82 -0.431 -9.939 -14.336 644 1HB LEU 82 1HB LEU 82 -0.977 -9.544 -11.973 645 2HB LEU 82 2HB LEU 82 -0.039 -10.943 -11.494 646 HG LEU 82 HG LEU 82 2.045 -9.915 -12.210 647 1HD1 LEU 82 1HD1 LEU 82 0.365 -7.468 -12.950 648 2HD1 LEU 82 2HD1 LEU 82 2.138 -7.510 -12.834 649 3HD1 LEU 82 3HD1 LEU 82 1.321 -8.467 -14.065 650 1HD2 LEU 82 1HD2 LEU 82 2.229 -8.418 -10.410 651 2HD2 LEU 82 2HD2 LEU 82 0.520 -7.921 -10.493 652 3HD2 LEU 82 3HD2 LEU 82 0.974 -9.531 -9.912 653 H LYS 83 H LYS 83 0.531 -12.971 -12.605 654 HA LYS 83 HA LYS 83 3.178 -12.991 -13.810 655 1HB LYS 83 1HB LYS 83 2.481 -14.197 -11.665 656 2HB LYS 83 2HB LYS 83 1.630 -15.363 -12.677 657 1HG LYS 83 1HG LYS 83 3.779 -15.938 -13.816 658 2HG LYS 83 2HG LYS 83 4.624 -14.744 -12.814 659 1HD LYS 83 1HD LYS 83 4.161 -16.044 -10.802 660 2HD LYS 83 2HD LYS 83 3.070 -17.105 -11.707 661 1HE LYS 83 1HE LYS 83 5.060 -18.338 -11.409 662 2HE LYS 83 2HE LYS 83 5.037 -17.842 -13.107 663 1HZ LYS 83 1HZ LYS 83 6.607 -16.078 -12.525 664 2HZ LYS 83 2HZ LYS 83 6.571 -16.548 -10.941 665 3HZ LYS 83 3HZ LYS 83 7.208 -17.539 -12.070 666 H GLY 84 H GLY 84 -0.010 -14.191 -14.776 667 1HA GLY 84 1HA GLY 84 -0.761 -15.017 -16.764 668 2HA GLY 84 2HA GLY 84 0.848 -14.763 -17.477 669 H SER 85 H SER 85 0.697 -16.503 -14.442 670 HA SER 85 HA SER 85 0.524 -19.127 -15.516 671 1HB SER 85 1HB SER 85 3.167 -18.226 -14.294 672 2HB SER 85 2HB SER 85 2.727 -19.900 -14.696 673 HG SER 85 HG SER 85 2.247 -18.213 -16.760 674 H THR 86 H THR 86 0.947 -20.680 -13.397 675 HA THR 86 HA THR 86 -0.907 -19.837 -11.435 676 HB THR 86 HB THR 86 1.234 -21.938 -10.991 677 HG1 THR 86 1HG THR 86 -0.982 -22.069 -12.746 678 1HG2 THR 86 1HG2 THR 86 -0.530 -23.167 -9.841 679 2HG2 THR 86 2HG2 THR 86 -0.385 -21.551 -9.148 680 3HG2 THR 86 3HG2 THR 86 -1.720 -21.923 -10.266 681 H VAL 87 H VAL 87 -0.639 -18.893 -9.424 682 HA VAL 87 HA VAL 87 2.119 -18.286 -8.447 683 HB VAL 87 HB VAL 87 -0.411 -16.566 -8.260 684 1HG1 VAL 87 1HG1 VAL 87 1.114 -14.922 -7.141 685 2HG1 VAL 87 2HG1 VAL 87 0.921 -16.394 -6.193 686 3HG1 VAL 87 3HG1 VAL 87 2.397 -16.154 -7.149 687 1HG2 VAL 87 1HG2 VAL 87 0.681 -16.368 -10.479 688 2HG2 VAL 87 2HG2 VAL 87 0.907 -14.893 -9.531 689 3HG2 VAL 87 3HG2 VAL 87 2.232 -16.055 -9.671 690 H GLU 88 H GLU 88 2.465 -19.018 -6.337 691 HA GLU 88 HA GLU 88 0.154 -20.331 -5.021 692 1HB GLU 88 1HB GLU 88 3.156 -20.511 -4.819 693 2HB GLU 88 2HB GLU 88 2.220 -20.790 -3.346 694 1HG GLU 88 1HG GLU 88 1.752 -22.241 -5.991 695 2HG GLU 88 2HG GLU 88 2.668 -22.891 -4.619 696 H LEU 89 H LEU 89 -1.018 -18.485 -4.700 697 HA LEU 89 HA LEU 89 0.246 -16.279 -3.256 698 1HB LEU 89 1HB LEU 89 -1.105 -15.637 -5.083 699 2HB LEU 89 2HB LEU 89 -2.480 -16.578 -4.482 700 HG LEU 89 HG LEU 89 -2.742 -15.102 -2.548 701 1HD1 LEU 89 1HD1 LEU 89 -0.566 -13.274 -3.621 702 2HD1 LEU 89 2HD1 LEU 89 -1.620 -13.043 -2.214 703 3HD1 LEU 89 3HD1 LEU 89 -0.391 -14.283 -2.173 704 1HD2 LEU 89 1HD2 LEU 89 -3.110 -12.929 -3.915 705 2HD2 LEU 89 2HD2 LEU 89 -2.559 -13.859 -5.297 706 3HD2 LEU 89 3HD2 LEU 89 -3.960 -14.417 -4.329 707 H THR 90 H THR 90 0.138 -16.059 -1.083 708 HA THR 90 HA THR 90 -2.196 -17.174 0.342 709 HB THR 90 HB THR 90 -0.261 -18.670 0.624 710 HG1 THR 90 1HG THR 90 -0.273 -18.685 2.873 711 1HG2 THR 90 1HG2 THR 90 1.064 -16.282 1.969 712 2HG2 THR 90 2HG2 THR 90 1.679 -17.927 2.021 713 3HG2 THR 90 3HG2 THR 90 1.603 -17.091 0.476 714 H ILE 91 H ILE 91 -2.094 -16.196 2.510 715 HA ILE 91 HA ILE 91 -1.036 -13.437 2.559 716 HB ILE 91 HB ILE 91 -3.861 -14.010 3.411 717 1HG1 ILE 91 1HG1 ILE 91 -3.266 -12.283 0.985 718 2HG1 ILE 91 2HG1 ILE 91 -3.508 -14.015 0.803 719 1HG2 ILE 91 1HG2 ILE 91 -3.993 -11.526 3.624 720 2HG2 ILE 91 2HG2 ILE 91 -2.602 -12.119 4.546 721 3HG2 ILE 91 3HG2 ILE 91 -2.357 -11.373 2.967 722 1HD1 ILE 91 1HD1 ILE 91 -5.612 -12.858 0.474 723 2HD1 ILE 91 2HD1 ILE 91 -5.677 -13.914 1.905 724 3HD1 ILE 91 3HD1 ILE 91 -5.521 -12.163 2.109 725 H VAL 92 H VAL 92 0.195 -13.383 4.318 726 HA VAL 92 HA VAL 92 -0.263 -15.324 6.536 727 HB VAL 92 HB VAL 92 2.117 -15.079 7.025 728 1HG1 VAL 92 1HG1 VAL 92 2.978 -16.466 5.191 729 2HG1 VAL 92 2HG1 VAL 92 1.333 -16.956 5.624 730 3HG1 VAL 92 3HG1 VAL 92 1.620 -15.989 4.159 731 1HG2 VAL 92 1HG2 VAL 92 2.716 -12.941 6.104 732 2HG2 VAL 92 2HG2 VAL 92 3.704 -14.183 5.344 733 3HG2 VAL 92 3HG2 VAL 92 2.348 -13.482 4.441 734 H GLU 93 H GLU 93 -0.087 -14.384 8.665 735 HA GLU 93 HA GLU 93 -0.795 -11.501 8.658 736 1HB GLU 93 1HB GLU 93 -1.597 -11.763 10.880 737 2HB GLU 93 2HB GLU 93 -2.317 -12.999 9.851 738 1HG GLU 93 1HG GLU 93 -0.555 -14.617 10.771 739 2HG GLU 93 2HG GLU 93 -0.162 -13.369 11.967 740 H ASP 94 H ASP 94 0.795 -10.089 9.155 741 HA ASP 94 HA ASP 94 3.150 -10.877 10.737 742 1HB ASP 94 1HB ASP 94 3.751 -11.268 8.354 743 2HB ASP 94 2HB ASP 94 3.316 -9.598 7.996 744 H ASP 95 H ASP 95 3.071 -9.343 12.335 745 HA ASP 95 HA ASP 95 1.654 -6.812 11.948 746 1HB ASP 95 1HB ASP 95 1.442 -8.027 14.016 747 2HB ASP 95 2HB ASP 95 3.191 -8.024 14.260 748 H ASN 96 H ASN 96 4.988 -7.710 11.493 749 HA ASN 96 HA ASN 96 6.315 -5.517 12.612 750 1HB ASN 96 1HB ASN 96 7.319 -7.657 11.920 751 2HB ASN 96 2HB ASN 96 7.240 -7.148 10.229 752 1HD2 ASN 96 1HD2 ASN 96 9.826 -7.684 10.918 753 2HD2 ASN 96 2HD2 ASN 96 10.645 -6.194 11.352 754 HA PRO 97 HA PRO 97 5.234 -2.358 9.482 755 1HB PRO 97 1HB PRO 97 6.244 -0.158 10.748 756 2HB PRO 97 2HB PRO 97 4.685 -0.940 11.136 757 1HG PRO 97 1HG PRO 97 7.333 -1.281 12.521 758 2HG PRO 97 2HG PRO 97 5.724 -1.014 13.254 759 1HD PRO 97 1HD PRO 97 6.797 -3.507 13.051 760 2HD PRO 97 2HD PRO 97 5.049 -3.217 12.849 761 H ALA 98 H ALA 98 8.122 -3.850 9.857 762 HA ALA 98 HA ALA 98 10.073 -1.978 8.968 763 1HB ALA 98 1HB ALA 98 10.551 -4.131 10.144 764 2HB ALA 98 2HB ALA 98 10.047 -5.014 8.688 765 3HB ALA 98 3HB ALA 98 11.476 -3.949 8.653 766 H VAL 99 H VAL 99 7.512 -3.207 7.244 767 HA VAL 99 HA VAL 99 8.772 -2.426 4.678 768 HB VAL 99 HB VAL 99 6.907 -4.788 4.842 769 1HG1 VAL 99 1HG1 VAL 99 6.960 -3.617 2.666 770 2HG1 VAL 99 2HG1 VAL 99 8.729 -3.767 2.616 771 3HG1 VAL 99 3HG1 VAL 99 7.707 -5.207 2.526 772 1HG2 VAL 99 1HG2 VAL 99 9.945 -4.852 4.689 773 2HG2 VAL 99 2HG2 VAL 99 8.919 -5.583 5.943 774 3HG2 VAL 99 3HG2 VAL 99 8.903 -6.238 4.310 775 H ARG 100 H ARG 100 7.301 -1.148 3.436 776 HA ARG 100 HA ARG 100 4.940 -0.258 5.008 777 1HB ARG 100 1HB ARG 100 6.206 0.882 2.494 778 2HB ARG 100 2HB ARG 100 4.795 1.532 3.313 779 1HG ARG 100 1HG ARG 100 6.245 2.842 4.434 780 2HG ARG 100 2HG ARG 100 6.583 1.408 5.402 781 1HD ARG 100 1HD ARG 100 8.348 0.963 3.419 782 2HD ARG 100 2HD ARG 100 8.194 2.695 3.196 783 HE ARG 100 HE ARG 100 9.027 3.083 5.389 784 1HH1 ARG 100 2HH2 ARG 100 9.450 -0.301 4.347 785 2HH1 ARG 100 1HH2 ARG 100 10.398 -0.745 5.735 786 1HH2 ARG 100 2HH1 ARG 100 10.520 2.538 7.066 787 2HH2 ARG 100 1HH1 ARG 100 11.055 0.897 7.253 788 H THR 101 H THR 101 2.862 -0.854 4.449 789 HA THR 101 HA THR 101 2.477 -2.706 2.199 790 HB THR 101 HB THR 101 0.233 -2.883 3.022 791 HG1 THR 101 1HG THR 101 -0.602 -1.127 3.594 792 1HG2 THR 101 1HG2 THR 101 0.496 -3.553 5.359 793 2HG2 THR 101 2HG2 THR 101 1.930 -4.030 4.438 794 3HG2 THR 101 3HG2 THR 101 1.982 -2.619 5.510 795 HA PRO 102 HA PRO 102 1.873 0.566 -0.595 796 1HB PRO 102 1HB PRO 102 -0.443 0.172 -2.089 797 2HB PRO 102 2HB PRO 102 1.149 -0.609 -2.324 798 1HG PRO 102 1HG PRO 102 -1.246 -1.719 -1.041 799 2HG PRO 102 2HG PRO 102 -0.034 -2.537 -2.009 800 1HD PRO 102 1HD PRO 102 -0.119 -2.631 0.776 801 2HD PRO 102 2HD PRO 102 1.395 -2.837 -0.150 802 H LEU 103 H LEU 103 -1.004 0.071 1.444 803 HA LEU 103 HA LEU 103 -2.128 2.702 1.183 804 1HB LEU 103 1HB LEU 103 -3.261 0.798 2.224 805 2HB LEU 103 2HB LEU 103 -2.125 0.763 3.558 806 HG LEU 103 HG LEU 103 -3.658 3.310 3.025 807 1HD1 LEU 103 1HD1 LEU 103 -5.544 2.479 4.402 808 2HD1 LEU 103 2HD1 LEU 103 -5.397 1.614 2.869 809 3HD1 LEU 103 3HD1 LEU 103 -4.832 0.853 4.373 810 1HD2 LEU 103 1HD2 LEU 103 -2.740 1.903 5.576 811 2HD2 LEU 103 2HD2 LEU 103 -2.039 3.370 4.878 812 3HD2 LEU 103 3HD2 LEU 103 -3.670 3.412 5.524 813 H GLU 104 H GLU 104 0.290 1.281 3.464 814 HA GLU 104 HA GLU 104 0.693 3.834 4.766 815 1HB GLU 104 1HB GLU 104 1.988 1.103 4.962 816 2HB GLU 104 2HB GLU 104 2.738 2.508 5.728 817 1HG GLU 104 1HG GLU 104 -0.118 1.583 6.227 818 2HG GLU 104 2HG GLU 104 1.257 1.231 7.266 819 H TRP 105 H TRP 105 2.194 2.231 1.948 820 HA TRP 105 HA TRP 105 4.464 3.933 1.852 821 1HB TRP 105 1HB TRP 105 2.939 2.371 -0.218 822 2HB TRP 105 2HB TRP 105 3.994 3.643 -0.770 823 HD1 TRP 105 HD TRP 105 4.171 0.097 -0.221 824 HE1 TRP 105 1HE TRP 105 6.598 -0.713 -0.175 825 HE3 TRP 105 3HE TRP 105 6.516 4.588 0.397 826 HZ2 TRP 105 2HZ TRP 105 9.226 0.440 0.066 827 HZ3 TRP 105 3HZ TRP 105 8.991 4.719 0.509 828 HH2 TRP 105 HH TRP 105 10.350 2.652 0.443 829 H ARG 106 H ARG 106 1.088 4.544 0.709 830 HA ARG 106 HA ARG 106 1.651 7.090 -0.480 831 1HB ARG 106 1HB ARG 106 -0.589 5.969 -0.671 832 2HB ARG 106 2HB ARG 106 -0.848 6.213 1.055 833 1HG ARG 106 1HG ARG 106 -0.577 8.720 0.618 834 2HG ARG 106 2HG ARG 106 -0.704 8.365 -1.100 835 1HD ARG 106 1HD ARG 106 -2.822 7.399 0.849 836 2HD ARG 106 2HD ARG 106 -2.741 9.106 0.421 837 HE ARG 106 HE ARG 106 -2.793 8.094 -2.015 838 1HH1 ARG 106 2HH2 ARG 106 -4.988 7.930 0.746 839 2HH1 ARG 106 1HH2 ARG 106 -6.337 7.331 -0.158 840 1HH2 ARG 106 2HH1 ARG 106 -4.675 7.386 -3.292 841 2HH2 ARG 106 1HH1 ARG 106 -6.191 7.347 -2.470 842 H GLN 107 H GLN 107 0.786 6.245 2.882 843 HA GLN 107 HA GLN 107 0.947 8.919 3.862 844 1HB GLN 107 1HB GLN 107 -0.136 6.752 4.858 845 2HB GLN 107 2HB GLN 107 1.441 6.393 5.538 846 1HG GLN 107 1HG GLN 107 0.226 9.117 6.010 847 2HG GLN 107 2HG GLN 107 -0.478 7.724 6.837 848 1HE2 GLN 107 1HE2 GLN 107 2.746 9.345 6.328 849 2HE2 GLN 107 2HE2 GLN 107 3.278 9.003 7.955 850 H ALA 108 H ALA 108 3.367 6.274 3.751 851 HA ALA 108 HA ALA 108 5.338 7.553 5.312 852 1HB ALA 108 1HB ALA 108 6.810 5.800 4.436 853 2HB ALA 108 2HB ALA 108 5.249 5.113 4.909 854 3HB ALA 108 3HB ALA 108 5.627 5.382 3.187 855 H ILE 109 H ILE 109 4.724 7.537 1.749 856 HA ILE 109 HA ILE 109 7.152 8.902 1.075 857 HB ILE 109 HB ILE 109 4.450 8.614 -0.272 858 1HG1 ILE 109 1HG1 ILE 109 6.227 6.667 0.168 859 2HG1 ILE 109 2HG1 ILE 109 5.212 6.728 -1.246 860 1HG2 ILE 109 1HG2 ILE 109 5.360 10.613 -1.258 861 2HG2 ILE 109 2HG2 ILE 109 6.938 9.850 -1.499 862 3HG2 ILE 109 3HG2 ILE 109 5.511 9.278 -2.397 863 1HD1 ILE 109 1HD1 ILE 109 7.057 7.514 -2.611 864 2HD1 ILE 109 2HD1 ILE 109 8.082 7.683 -1.162 865 3HD1 ILE 109 3HD1 ILE 109 7.552 6.076 -1.708 866 H TYR 110 H TYR 110 4.103 10.084 2.417 867 HA TYR 110 HA TYR 110 4.746 12.883 1.822 868 1HB TYR 110 1HB TYR 110 2.385 11.909 2.271 869 2HB TYR 110 2HB TYR 110 2.839 11.758 3.942 870 HD1 TYR 110 HD1 TYR 110 3.231 13.762 5.377 871 HD2 TYR 110 HD2 TYR 110 1.976 14.112 1.258 872 HE1 TYR 110 HE1 TYR 110 2.525 16.095 5.787 873 HE2 TYR 110 HE2 TYR 110 1.242 16.438 1.672 874 HH TYR 110 HH TYR 110 0.889 18.055 3.267 875 H GLU 111 H GLU 111 4.824 10.723 4.636 876 HA GLU 111 HA GLU 111 5.901 12.653 6.446 877 1HB GLU 111 1HB GLU 111 4.556 10.544 6.898 878 2HB GLU 111 2HB GLU 111 6.044 9.617 6.631 879 1HG GLU 111 1HG GLU 111 7.110 11.012 8.457 880 2HG GLU 111 2HG GLU 111 5.547 11.782 8.733 881 H GLU 112 H GLU 112 7.488 10.422 4.079 882 HA GLU 112 HA GLU 112 10.019 10.540 5.155 883 1HB GLU 112 1HB GLU 112 10.682 9.554 3.253 884 2HB GLU 112 2HB GLU 112 9.021 9.202 3.160 885 1HG GLU 112 1HG GLU 112 9.162 9.892 1.040 886 2HG GLU 112 2HG GLU 112 9.061 11.522 1.681 887 H LYS 113 H LYS 113 8.226 13.086 3.433 888 HA LYS 113 HA LYS 113 10.617 14.718 2.982 889 1HB LYS 113 1HB LYS 113 7.632 15.260 2.727 890 2HB LYS 113 2HB LYS 113 8.873 16.490 2.505 891 1HG LYS 113 1HG LYS 113 9.997 14.953 0.839 892 2HG LYS 113 2HG LYS 113 8.564 13.926 0.882 893 1HD LYS 113 1HD LYS 113 7.187 15.605 -0.079 894 2HD LYS 113 2HD LYS 113 8.314 16.905 0.329 895 1HE LYS 113 1HE LYS 113 8.881 14.729 -1.724 896 2HE LYS 113 2HE LYS 113 8.285 16.358 -2.101 897 1HZ LYS 113 1HZ LYS 113 10.871 15.719 -0.819 898 2HZ LYS 113 2HZ LYS 113 10.654 16.306 -2.334 899 3HZ LYS 113 3HZ LYS 113 10.276 17.254 -1.066 900 H LEU 114 H LEU 114 8.596 14.028 5.646 901 HA LEU 114 HA LEU 114 9.304 16.519 7.112 902 1HB LEU 114 1HB LEU 114 7.444 14.157 7.630 903 2HB LEU 114 2HB LEU 114 8.021 15.136 8.945 904 HG LEU 114 HG LEU 114 6.985 17.144 8.013 905 1HD1 LEU 114 1HD1 LEU 114 5.396 16.978 6.089 906 2HD1 LEU 114 2HD1 LEU 114 7.077 16.781 5.605 907 3HD1 LEU 114 3HD1 LEU 114 6.022 15.351 5.739 908 1HD2 LEU 114 1HD2 LEU 114 5.076 14.762 8.079 909 2HD2 LEU 114 2HD2 LEU 114 5.672 15.660 9.493 910 3HD2 LEU 114 3HD2 LEU 114 4.638 16.468 8.307 911 H ALA 115 H ALA 115 9.804 12.971 7.106 912 HA ALA 115 HA ALA 115 11.480 12.966 9.440 913 1HB ALA 115 1HB ALA 115 11.256 10.923 7.170 914 2HB ALA 115 2HB ALA 115 11.986 10.647 8.764 915 3HB ALA 115 3HB ALA 115 10.244 10.956 8.634 916 H GLN 116 H GLN 116 12.187 13.098 5.926 917 HA GLN 116 HA GLN 116 14.954 12.736 6.174 918 1HB GLN 116 1HB GLN 116 15.237 13.595 3.967 919 2HB GLN 116 2HB GLN 116 13.848 12.535 4.061 920 1HG GLN 116 1HG GLN 116 13.085 14.238 2.686 921 2HG GLN 116 2HG GLN 116 12.420 14.682 4.257 922 1HE2 GLN 116 1HE2 GLN 116 15.487 15.348 2.412 923 2HE2 GLN 116 2HE2 GLN 116 15.486 17.056 2.818 924 H ALA 117 H ALA 117 13.007 15.509 6.892 925 HA ALA 117 HA ALA 117 15.114 17.458 6.751 926 1HB ALA 117 1HB ALA 117 12.535 17.582 8.410 927 2HB ALA 117 2HB ALA 117 13.491 18.952 7.834 928 3HB ALA 117 3HB ALA 117 12.618 17.935 6.673 929 H ARG 118 H ARG 118 14.268 15.108 9.256 930 HA ARG 118 HA ARG 118 16.204 16.361 11.088 931 1HB ARG 118 1HB ARG 118 13.973 15.795 11.968 932 2HB ARG 118 2HB ARG 118 14.202 14.101 11.511 933 1HG ARG 118 1HG ARG 118 15.997 13.865 13.147 934 2HG ARG 118 2HG ARG 118 15.990 15.609 13.474 935 1HD ARG 118 1HD ARG 118 13.623 15.442 14.252 936 2HD ARG 118 2HD ARG 118 13.661 13.697 13.996 937 HE ARG 118 HE ARG 118 14.670 15.194 16.232 938 1HH1 ARG 118 2HH2 ARG 118 15.186 12.133 14.444 939 2HH1 ARG 118 1HH2 ARG 118 15.978 11.369 15.782 940 1HH2 ARG 118 2HH1 ARG 118 15.549 14.141 17.960 941 2HH2 ARG 118 1HH1 ARG 118 16.231 12.548 17.856 942 H GLU 119 H GLU 119 15.479 13.475 9.169 943 HA GLU 119 HA GLU 119 17.580 11.810 9.881 944 1HB GLU 119 1HB GLU 119 15.542 11.505 8.228 945 2HB GLU 119 2HB GLU 119 16.687 12.168 7.037 946 1HG GLU 119 1HG GLU 119 18.272 10.272 7.995 947 2HG GLU 119 2HG GLU 119 16.748 9.552 8.512 948 H SER 120 H SER 120 17.551 14.696 7.729 949 HA SER 120 HA SER 120 20.032 14.297 6.475 950 1HB SER 120 1HB SER 120 18.759 16.904 7.406 951 2HB SER 120 2HB SER 120 20.095 16.771 6.250 952 HG SER 120 HG SER 120 17.447 15.722 5.939 953 H ILE 121 H ILE 121 19.520 15.058 9.874 954 HA ILE 121 HA ILE 121 22.385 15.774 10.201 955 HB ILE 121 HB ILE 121 20.166 15.642 12.300 956 1HG1 ILE 121 1HG1 ILE 121 20.601 18.279 12.162 957 2HG1 ILE 121 2HG1 ILE 121 21.055 17.922 10.503 958 1HG2 ILE 121 1HG2 ILE 121 22.955 16.881 12.344 959 2HG2 ILE 121 2HG2 ILE 121 21.757 17.003 13.650 960 3HG2 ILE 121 3HG2 ILE 121 22.442 15.432 13.226 961 1HD1 ILE 121 1HD1 ILE 121 18.697 18.644 10.752 962 2HD1 ILE 121 2HD1 ILE 121 18.753 17.006 10.113 963 3HD1 ILE 121 3HD1 ILE 121 18.373 17.275 11.830 964 H ILE 122 H ILE 122 20.020 13.185 10.855 965 HA ILE 122 HA ILE 122 21.679 11.486 12.437 966 HB ILE 122 HB ILE 122 19.406 10.786 10.585 967 1HG1 ILE 122 1HG1 ILE 122 19.687 11.441 13.563 968 2HG1 ILE 122 2HG1 ILE 122 18.756 12.334 12.353 969 1HG2 ILE 122 1HG2 ILE 122 20.843 8.807 10.998 970 2HG2 ILE 122 2HG2 ILE 122 20.757 9.103 12.747 971 3HG2 ILE 122 3HG2 ILE 122 19.309 8.651 11.812 972 1HD1 ILE 122 1HD1 ILE 122 17.303 10.310 12.083 973 2HD1 ILE 122 2HD1 ILE 122 18.146 9.618 13.506 974 3HD1 ILE 122 3HD1 ILE 122 17.239 11.128 13.670 975 H ALA 123 H ALA 123 21.328 11.973 8.930 976 HA ALA 123 HA ALA 123 22.554 9.822 7.852 977 1HB ALA 123 1HB ALA 123 22.803 12.707 6.906 978 2HB ALA 123 2HB ALA 123 23.030 11.255 5.911 979 3HB ALA 123 3HB ALA 123 21.431 11.617 6.591 980 H ASP 124 H ASP 124 24.308 12.521 9.420 981 HA ASP 124 HA ASP 124 26.866 11.941 8.304 982 1HB ASP 124 1HB ASP 124 26.115 13.993 9.672 983 2HB ASP 124 2HB ASP 124 26.452 13.017 11.113 984 H ASN 125 H ASN 125 25.033 10.457 10.893 985 HA ASN 125 HA ASN 125 26.970 8.252 11.069 986 1HB ASN 125 1HB ASN 125 27.359 9.731 13.074 987 2HB ASN 125 2HB ASN 125 25.663 9.504 13.519 988 1HD2 ASN 125 1HD2 ASN 125 28.617 7.553 12.666 989 2HD2 ASN 125 2HD2 ASN 125 28.310 6.370 13.943 990 H ASN 126 H ASN 126 25.229 7.984 9.337 991 HA ASN 126 HA ASN 126 22.552 7.623 10.006 992 1HB ASN 126 1HB ASN 126 23.670 7.635 7.658 993 2HB ASN 126 2HB ASN 126 23.841 5.890 7.893 994 1HD2 ASN 126 1HD2 ASN 126 22.017 4.605 7.245 995 2HD2 ASN 126 2HD2 ASN 126 20.445 5.321 7.028 996 H ILE 127 H ILE 127 25.124 5.165 9.980 997 HA ILE 127 HA ILE 127 25.461 3.259 10.945 998 HB ILE 127 HB ILE 127 25.473 4.817 12.833 999 1HG1 ILE 127 1HG1 ILE 127 24.742 2.079 13.862 1000 2HG1 ILE 127 2HG1 ILE 127 26.143 2.290 12.807 1001 1HG2 ILE 127 1HG2 ILE 127 23.110 5.316 13.151 1002 2HG2 ILE 127 2HG2 ILE 127 22.770 3.631 13.577 1003 3HG2 ILE 127 3HG2 ILE 127 23.790 4.660 14.619 1004 1HD1 ILE 127 1HD1 ILE 127 25.722 3.738 15.451 1005 2HD1 ILE 127 2HD1 ILE 127 26.829 2.387 15.138 1006 3HD1 ILE 127 3HD1 ILE 127 27.100 3.954 14.350 1007 H GLN 128 H GLN 128 23.489 3.484 9.142 1008 HA GLN 128 HA GLN 128 22.047 0.955 9.404 1009 1HB GLN 128 1HB GLN 128 20.666 3.328 9.945 1010 2HB GLN 128 2HB GLN 128 20.375 3.142 8.225 1011 1HG GLN 128 1HG GLN 128 19.844 0.987 10.292 1012 2HG GLN 128 2HG GLN 128 18.653 2.174 9.805 1013 1HE2 GLN 128 1HE2 GLN 128 18.998 -0.886 9.484 1014 2HE2 GLN 128 2HE2 GLN 128 18.513 -1.154 7.809 Start of MODEL 19 1 1H MET 1 H MET 1 -28.873 18.417 -8.005 2 HA MET 1 HA MET 1 -27.804 18.768 -5.960 3 1HB MET 1 1HB MET 1 -27.188 16.835 -7.558 4 2HB MET 1 2HB MET 1 -25.715 17.729 -7.919 5 1HG MET 1 1HG MET 1 -25.572 15.917 -6.123 6 2HG MET 1 2HG MET 1 -24.918 17.478 -5.684 7 1HE MET 1 1HE MET 1 -25.433 18.581 -3.433 8 2HE MET 1 2HE MET 1 -26.218 17.568 -2.214 9 3HE MET 1 3HE MET 1 -24.855 16.924 -3.156 10 H LYS 2 H LYS 2 -25.199 19.185 -5.236 11 HA LYS 2 HA LYS 2 -24.037 21.402 -6.670 12 1HB LYS 2 1HB LYS 2 -25.332 21.684 -3.974 13 2HB LYS 2 2HB LYS 2 -23.685 22.200 -4.021 14 1HG LYS 2 1HG LYS 2 -25.840 23.249 -5.892 15 2HG LYS 2 2HG LYS 2 -25.323 24.038 -4.402 16 1HD LYS 2 1HD LYS 2 -23.538 23.504 -6.810 17 2HD LYS 2 2HD LYS 2 -24.287 25.044 -6.419 18 1HE LYS 2 1HE LYS 2 -22.975 25.354 -4.458 19 2HE LYS 2 2HE LYS 2 -22.461 23.670 -4.408 20 1HZ LYS 2 1HZ LYS 2 -21.636 25.569 -6.496 21 2HZ LYS 2 2HZ LYS 2 -20.740 25.121 -5.197 22 3HZ LYS 2 3HZ LYS 2 -21.136 24.004 -6.351 23 H ALA 3 H ALA 3 -21.776 21.701 -5.932 24 HA ALA 3 HA ALA 3 -20.709 19.669 -4.126 25 1HB ALA 3 1HB ALA 3 -20.457 18.597 -6.306 26 2HB ALA 3 2HB ALA 3 -19.770 20.082 -6.997 27 3HB ALA 3 3HB ALA 3 -18.876 19.191 -5.753 28 H LEU 4 H LEU 4 -19.019 20.453 -2.998 29 HA LEU 4 HA LEU 4 -17.334 22.625 -3.775 30 1HB LEU 4 1HB LEU 4 -19.300 23.902 -2.882 31 2HB LEU 4 2HB LEU 4 -19.168 23.035 -1.369 32 HG LEU 4 HG LEU 4 -18.245 25.349 -1.366 33 1HD1 LEU 4 1HD1 LEU 4 -16.000 23.402 -0.775 34 2HD1 LEU 4 2HD1 LEU 4 -16.291 24.992 -0.069 35 3HD1 LEU 4 3HD1 LEU 4 -17.409 23.667 0.285 36 1HD2 LEU 4 1HD2 LEU 4 -15.959 24.302 -3.066 37 2HD2 LEU 4 2HD2 LEU 4 -17.292 25.307 -3.682 38 3HD2 LEU 4 3HD2 LEU 4 -16.189 25.941 -2.443 39 H GLU 5 H GLU 5 -15.655 21.341 -3.416 40 HA GLU 5 HA GLU 5 -14.057 20.164 -2.428 41 1HB GLU 5 1HB GLU 5 -14.754 21.486 -0.287 42 2HB GLU 5 2HB GLU 5 -15.546 19.979 0.191 43 1HG GLU 5 1HG GLU 5 -13.234 18.873 -0.294 44 2HG GLU 5 2HG GLU 5 -12.601 20.518 -0.263 45 H HIS 6 H HIS 6 -13.611 17.990 -2.188 46 HA HIS 6 HA HIS 6 -15.831 16.038 -1.902 47 1HB HIS 6 1HB HIS 6 -13.585 15.882 -3.968 48 2HB HIS 6 2HB HIS 6 -14.807 14.652 -3.659 49 HD1 HIS 6 HD1 HIS 6 -14.393 18.084 -5.344 50 HD2 HIS 6 HD2 HIS 6 -17.337 15.141 -4.540 51 HE1 HIS 6 HE1 HIS 6 -16.424 18.669 -6.783 52 HE2 HIS 6 HE2 HIS 6 -18.226 16.855 -6.282 53 H GLU 7 H GLU 7 -12.250 16.483 -2.062 54 HA GLU 7 HA GLU 7 -11.984 14.839 0.408 55 1HB GLU 7 1HB GLU 7 -10.266 14.317 -2.033 56 2HB GLU 7 2HB GLU 7 -10.375 13.387 -0.543 57 1HG GLU 7 1HG GLU 7 -12.769 12.797 -1.216 58 2HG GLU 7 2HG GLU 7 -12.452 13.571 -2.771 59 H LYS 8 H LYS 8 -11.842 17.658 0.052 60 HA LYS 8 HA LYS 8 -10.644 19.493 0.359 61 1HB LYS 8 1HB LYS 8 -9.655 17.852 2.193 62 2HB LYS 8 2HB LYS 8 -8.169 18.008 1.263 63 1HG LYS 8 1HG LYS 8 -9.863 20.279 2.336 64 2HG LYS 8 2HG LYS 8 -8.430 19.625 3.128 65 1HD LYS 8 1HD LYS 8 -7.089 20.325 1.117 66 2HD LYS 8 2HD LYS 8 -8.531 21.121 0.465 67 1HE LYS 8 1HE LYS 8 -7.440 21.689 3.254 68 2HE LYS 8 2HE LYS 8 -6.906 22.572 1.821 69 1HZ LYS 8 1HZ LYS 8 -8.717 23.684 3.041 70 2HZ LYS 8 2HZ LYS 8 -9.139 23.375 1.489 71 3HZ LYS 8 3HZ LYS 8 -9.726 22.459 2.735 72 H THR 9 H THR 9 -7.616 17.830 -0.523 73 HA THR 9 HA THR 9 -7.902 18.699 -3.322 74 HB THR 9 HB THR 9 -5.393 18.615 -3.184 75 HG1 THR 9 1HG THR 9 -4.713 19.115 -0.884 76 1HG2 THR 9 1HG2 THR 9 -6.831 20.605 -1.353 77 2HG2 THR 9 2HG2 THR 9 -5.263 20.861 -2.147 78 3HG2 THR 9 3HG2 THR 9 -6.741 20.710 -3.130 79 HA PRO 10 HA PRO 10 -7.879 14.067 -3.334 80 1HB PRO 10 1HB PRO 10 -9.247 13.888 -5.777 81 2HB PRO 10 2HB PRO 10 -9.983 13.744 -4.162 82 1HG PRO 10 1HG PRO 10 -9.841 16.132 -5.977 83 2HG PRO 10 2HG PRO 10 -11.203 15.613 -4.936 84 1HD PRO 10 1HD PRO 10 -9.552 17.650 -4.202 85 2HD PRO 10 2HD PRO 10 -10.181 16.497 -2.999 86 H GLU 11 H GLU 11 -7.074 16.714 -5.514 87 HA GLU 11 HA GLU 11 -5.472 15.117 -7.320 88 1HB GLU 11 1HB GLU 11 -5.313 18.115 -6.722 89 2HB GLU 11 2HB GLU 11 -4.674 17.261 -8.110 90 1HG GLU 11 1HG GLU 11 -6.564 17.912 -9.152 91 2HG GLU 11 2HG GLU 11 -7.334 16.562 -8.304 92 H LEU 12 H LEU 12 -4.984 16.193 -4.172 93 HA LEU 12 HA LEU 12 -2.002 16.022 -4.324 94 1HB LEU 12 1HB LEU 12 -3.179 17.837 -2.921 95 2HB LEU 12 2HB LEU 12 -3.688 16.545 -1.852 96 HG LEU 12 HG LEU 12 -1.814 17.581 -0.877 97 1HD1 LEU 12 1HD1 LEU 12 -0.161 15.892 -0.574 98 2HD1 LEU 12 2HD1 LEU 12 -1.713 15.049 -0.785 99 3HD1 LEU 12 3HD1 LEU 12 -0.513 15.129 -2.110 100 1HD2 LEU 12 1HD2 LEU 12 -0.210 17.140 -3.418 101 2HD2 LEU 12 2HD2 LEU 12 -0.952 18.678 -2.918 102 3HD2 LEU 12 3HD2 LEU 12 0.330 17.951 -1.938 103 H ALA 13 H ALA 13 -4.902 14.594 -2.729 104 HA ALA 13 HA ALA 13 -3.449 12.564 -1.365 105 1HB ALA 13 1HB ALA 13 -5.725 11.605 -0.962 106 2HB ALA 13 2HB ALA 13 -5.721 13.347 -0.686 107 3HB ALA 13 3HB ALA 13 -6.402 12.678 -2.190 108 H ALA 14 H ALA 14 -4.971 12.581 -4.607 109 HA ALA 14 HA ALA 14 -4.219 9.749 -4.952 110 1HB ALA 14 1HB ALA 14 -5.167 9.912 -7.111 111 2HB ALA 14 2HB ALA 14 -6.288 10.605 -5.925 112 3HB ALA 14 3HB ALA 14 -5.328 11.690 -6.974 113 H LYS 15 H LYS 15 -2.785 12.983 -5.662 114 HA LYS 15 HA LYS 15 -0.775 11.920 -7.446 115 1HB LYS 15 1HB LYS 15 -1.075 14.426 -5.790 116 2HB LYS 15 2HB LYS 15 0.536 13.997 -6.268 117 1HG LYS 15 1HG LYS 15 -1.802 14.352 -8.210 118 2HG LYS 15 2HG LYS 15 -0.544 15.555 -7.830 119 1HD LYS 15 1HD LYS 15 1.104 13.650 -8.545 120 2HD LYS 15 2HD LYS 15 -0.300 12.957 -9.366 121 1HE LYS 15 1HE LYS 15 -0.629 15.015 -10.652 122 2HE LYS 15 2HE LYS 15 0.637 15.842 -9.737 123 1HZ LYS 15 1HZ LYS 15 1.346 15.079 -11.922 124 2HZ LYS 15 2HZ LYS 15 2.265 14.445 -10.745 125 3HZ LYS 15 3HZ LYS 15 1.138 13.512 -11.494 126 H LEU 16 H LEU 16 -1.072 12.230 -3.907 127 HA LEU 16 HA LEU 16 1.532 11.352 -3.302 128 1HB LEU 16 1HB LEU 16 -0.065 12.369 -1.690 129 2HB LEU 16 2HB LEU 16 -1.096 10.937 -1.807 130 HG LEU 16 HG LEU 16 0.760 9.548 -0.884 131 1HD1 LEU 16 1HD1 LEU 16 2.145 12.243 -0.487 132 2HD1 LEU 16 2HD1 LEU 16 2.669 10.672 0.177 133 3HD1 LEU 16 3HD1 LEU 16 2.677 10.927 -1.551 134 1HD2 LEU 16 1HD2 LEU 16 -0.072 11.928 0.827 135 2HD2 LEU 16 2HD2 LEU 16 -1.022 10.450 0.572 136 3HD2 LEU 16 3HD2 LEU 16 0.524 10.369 1.431 137 H ALA 17 H ALA 17 -1.463 9.506 -4.059 138 HA ALA 17 HA ALA 17 -0.340 6.942 -3.708 139 1HB ALA 17 1HB ALA 17 -2.814 7.440 -3.908 140 2HB ALA 17 2HB ALA 17 -2.564 7.677 -5.649 141 3HB ALA 17 3HB ALA 17 -2.224 6.104 -4.922 142 H ALA 18 H ALA 18 -0.539 9.114 -6.569 143 HA ALA 18 HA ALA 18 0.583 7.329 -8.451 144 1HB ALA 18 1HB ALA 18 0.795 10.368 -8.457 145 2HB ALA 18 2HB ALA 18 0.883 9.268 -9.843 146 3HB ALA 18 3HB ALA 18 -0.648 9.456 -8.960 147 H GLU 19 H GLU 19 2.180 9.832 -6.426 148 HA GLU 19 HA GLU 19 4.860 9.425 -7.273 149 1HB GLU 19 1HB GLU 19 3.656 10.299 -4.610 150 2HB GLU 19 2HB GLU 19 5.385 10.352 -4.948 151 1HG GLU 19 1HG GLU 19 3.367 11.864 -6.649 152 2HG GLU 19 2HG GLU 19 4.052 12.522 -5.166 153 H ALA 20 H ALA 20 2.876 7.804 -4.747 154 HA ALA 20 HA ALA 20 4.976 6.101 -3.830 155 1HB ALA 20 1HB ALA 20 1.957 5.627 -3.710 156 2HB ALA 20 2HB ALA 20 3.201 4.877 -2.691 157 3HB ALA 20 3HB ALA 20 2.877 6.624 -2.568 158 H ILE 21 H ILE 21 2.393 5.603 -6.213 159 HA ILE 21 HA ILE 21 3.079 2.913 -6.853 160 HB ILE 21 HB ILE 21 1.590 5.237 -8.151 161 1HG1 ILE 21 1HG1 ILE 21 0.544 2.474 -7.464 162 2HG1 ILE 21 2HG1 ILE 21 0.656 3.771 -6.282 163 1HG2 ILE 21 1HG2 ILE 21 2.058 2.671 -9.664 164 2HG2 ILE 21 2HG2 ILE 21 0.787 3.847 -10.052 165 3HG2 ILE 21 3HG2 ILE 21 2.478 4.306 -10.145 166 1HD1 ILE 21 1HD1 ILE 21 -0.782 5.200 -7.810 167 2HD1 ILE 21 2HD1 ILE 21 -1.073 3.731 -8.773 168 3HD1 ILE 21 3HD1 ILE 21 -1.570 3.797 -7.073 169 H GLU 22 H GLU 22 4.419 6.021 -7.954 170 HA GLU 22 HA GLU 22 5.871 4.955 -10.167 171 1HB GLU 22 1HB GLU 22 5.308 7.353 -9.765 172 2HB GLU 22 2HB GLU 22 6.391 7.372 -8.384 173 1HG GLU 22 1HG GLU 22 7.552 8.399 -10.183 174 2HG GLU 22 2HG GLU 22 8.324 6.858 -9.888 175 H ARG 23 H ARG 23 6.359 4.721 -6.712 176 HA ARG 23 HA ARG 23 9.221 3.947 -7.055 177 1HB ARG 23 1HB ARG 23 8.228 5.983 -5.579 178 2HB ARG 23 2HB ARG 23 7.934 4.679 -4.432 179 1HG ARG 23 1HG ARG 23 10.417 4.075 -4.742 180 2HG ARG 23 2HG ARG 23 10.583 5.606 -5.613 181 1HD ARG 23 1HD ARG 23 9.568 6.739 -3.578 182 2HD ARG 23 2HD ARG 23 9.676 5.189 -2.728 183 HE ARG 23 HE ARG 23 11.701 7.139 -3.127 184 1HH1 ARG 23 2HH2 ARG 23 11.512 3.518 -3.109 185 2HH1 ARG 23 1HH2 ARG 23 12.973 3.375 -2.225 186 1HH2 ARG 23 2HH1 ARG 23 13.823 6.816 -2.307 187 2HH2 ARG 23 1HH1 ARG 23 14.438 5.215 -2.136 188 H ASP 24 H ASP 24 6.083 2.861 -5.799 189 HA ASP 24 HA ASP 24 7.235 0.514 -4.449 190 1HB ASP 24 1HB ASP 24 5.551 1.864 -3.221 191 2HB ASP 24 2HB ASP 24 4.417 1.622 -4.495 192 HA PRO 25 HA PRO 25 5.941 -1.497 -8.280 193 1HB PRO 25 1HB PRO 25 6.731 -4.118 -7.570 194 2HB PRO 25 2HB PRO 25 7.741 -2.919 -8.401 195 1HG PRO 25 1HG PRO 25 7.674 -3.608 -5.468 196 2HG PRO 25 2HG PRO 25 9.089 -3.210 -6.483 197 1HD PRO 25 1HD PRO 25 7.925 -1.431 -4.767 198 2HD PRO 25 2HD PRO 25 8.664 -0.899 -6.306 199 H TRP 26 H TRP 26 5.099 -2.547 -4.936 200 HA TRP 26 HA TRP 26 3.018 -4.340 -5.978 201 1HB TRP 26 1HB TRP 26 4.094 -4.902 -3.862 202 2HB TRP 26 2HB TRP 26 3.582 -3.372 -3.167 203 HD1 TRP 26 HD TRP 26 1.759 -3.672 -1.637 204 HE1 TRP 26 1HE TRP 26 -0.369 -5.115 -1.309 205 HE3 TRP 26 3HE TRP 26 2.224 -6.591 -5.750 206 HZ2 TRP 26 2HZ TRP 26 -1.600 -7.386 -2.687 207 HZ3 TRP 26 3HZ TRP 26 0.772 -8.585 -6.083 208 HH2 TRP 26 HH TRP 26 -1.210 -8.916 -4.615 209 H ALA 27 H ALA 27 3.070 -0.977 -4.461 210 HA ALA 27 HA ALA 27 0.287 -0.640 -4.631 211 1HB ALA 27 1HB ALA 27 2.376 1.511 -5.150 212 2HB ALA 27 2HB ALA 27 0.671 1.770 -4.774 213 3HB ALA 27 3HB ALA 27 1.734 1.062 -3.548 214 H ALA 28 H ALA 28 2.797 -0.142 -7.180 215 HA ALA 28 HA ALA 28 1.009 0.904 -9.146 216 1HB ALA 28 1HB ALA 28 3.511 -0.826 -9.573 217 2HB ALA 28 2HB ALA 28 2.805 0.332 -10.715 218 3HB ALA 28 3HB ALA 28 3.569 0.900 -9.222 219 H GLN 29 H GLN 29 2.015 -2.418 -8.331 220 HA GLN 29 HA GLN 29 0.547 -3.722 -10.394 221 1HB GLN 29 1HB GLN 29 1.578 -4.607 -7.679 222 2HB GLN 29 2HB GLN 29 0.698 -5.694 -8.740 223 1HG GLN 29 1HG GLN 29 2.305 -5.404 -10.521 224 2HG GLN 29 2HG GLN 29 3.160 -4.165 -9.662 225 1HE2 GLN 29 1HE2 GLN 29 4.337 -6.669 -10.707 226 2HE2 GLN 29 2HE2 GLN 29 4.852 -7.573 -9.286 227 H VAL 30 H VAL 30 -0.424 -2.919 -6.979 228 HA VAL 30 HA VAL 30 -2.974 -4.184 -7.276 229 HB VAL 30 HB VAL 30 -2.062 -1.924 -5.409 230 1HG1 VAL 30 1HG1 VAL 30 -3.970 -2.538 -3.925 231 2HG1 VAL 30 2HG1 VAL 30 -4.523 -1.863 -5.455 232 3HG1 VAL 30 3HG1 VAL 30 -4.595 -3.618 -5.191 233 1HG2 VAL 30 1HG2 VAL 30 -0.884 -4.103 -5.095 234 2HG2 VAL 30 2HG2 VAL 30 -1.873 -3.665 -3.710 235 3HG2 VAL 30 3HG2 VAL 30 -2.446 -4.890 -4.868 236 H SER 31 H SER 31 -1.955 -0.831 -7.970 237 HA SER 31 HA SER 31 -4.633 0.032 -8.675 238 1HB SER 31 1HB SER 31 -1.815 1.104 -8.904 239 2HB SER 31 2HB SER 31 -3.157 1.947 -9.689 240 HG SER 31 HG SER 31 -4.023 2.446 -7.784 241 H GLN 32 H GLN 32 -2.123 -1.744 -10.396 242 HA GLN 32 HA GLN 32 -3.201 -1.195 -13.040 243 1HB GLN 32 1HB GLN 32 -0.822 -1.639 -12.613 244 2HB GLN 32 2HB GLN 32 -1.207 -3.210 -11.925 245 1HG GLN 32 1HG GLN 32 -2.093 -3.920 -14.166 246 2HG GLN 32 2HG GLN 32 -1.418 -2.418 -14.828 247 1HE2 GLN 32 1HE2 GLN 32 1.002 -2.194 -13.377 248 2HE2 GLN 32 2HE2 GLN 32 1.965 -3.628 -13.466 249 H LEU 33 H LEU 33 -3.467 -3.703 -10.523 250 HA LEU 33 HA LEU 33 -5.065 -5.500 -12.183 251 1HB LEU 33 1HB LEU 33 -4.658 -5.500 -9.177 252 2HB LEU 33 2HB LEU 33 -5.322 -6.810 -10.158 253 HG LEU 33 HG LEU 33 -2.498 -5.938 -9.747 254 1HD1 LEU 33 1HD1 LEU 33 -2.072 -8.181 -9.280 255 2HD1 LEU 33 2HD1 LEU 33 -3.596 -7.810 -8.493 256 3HD1 LEU 33 3HD1 LEU 33 -3.582 -8.713 -10.032 257 1HD2 LEU 33 1HD2 LEU 33 -3.430 -7.480 -12.214 258 2HD2 LEU 33 2HD2 LEU 33 -2.681 -5.871 -12.225 259 3HD2 LEU 33 3HD2 LEU 33 -1.736 -7.244 -11.714 260 H SER 34 H SER 34 -5.734 -2.702 -10.414 261 HA SER 34 HA SER 34 -7.641 -1.638 -9.706 262 1HB SER 34 1HB SER 34 -8.553 -2.998 -12.250 263 2HB SER 34 2HB SER 34 -9.392 -1.654 -11.460 264 HG SER 34 HG SER 34 -7.230 -1.605 -13.040 265 H LEU 35 H LEU 35 -7.438 -3.442 -7.929 266 HA LEU 35 HA LEU 35 -9.368 -5.546 -7.871 267 1HB LEU 35 1HB LEU 35 -7.589 -4.251 -5.807 268 2HB LEU 35 2HB LEU 35 -8.952 -5.212 -5.242 269 HG LEU 35 HG LEU 35 -8.206 -7.185 -6.419 270 1HD1 LEU 35 1HD1 LEU 35 -7.048 -6.209 -8.346 271 2HD1 LEU 35 2HD1 LEU 35 -5.813 -5.510 -7.264 272 3HD1 LEU 35 3HD1 LEU 35 -5.970 -7.284 -7.465 273 1HD2 LEU 35 1HD2 LEU 35 -5.979 -5.911 -4.772 274 2HD2 LEU 35 2HD2 LEU 35 -7.395 -6.766 -4.136 275 3HD2 LEU 35 3HD2 LEU 35 -6.197 -7.646 -5.078 276 HA PRO 36 HA PRO 36 -13.077 -3.496 -7.057 277 1HB PRO 36 1HB PRO 36 -14.506 -5.287 -5.509 278 2HB PRO 36 2HB PRO 36 -14.195 -5.450 -7.254 279 1HG PRO 36 1HG PRO 36 -12.655 -6.728 -4.976 280 2HG PRO 36 2HG PRO 36 -13.231 -7.484 -6.497 281 1HD PRO 36 1HD PRO 36 -10.683 -6.649 -6.206 282 2HD PRO 36 2HD PRO 36 -11.543 -6.414 -7.756 283 H LYS 37 H LYS 37 -13.120 -5.001 -3.751 284 HA LYS 37 HA LYS 37 -12.234 -2.431 -2.642 285 1HB LYS 37 1HB LYS 37 -14.889 -2.570 -3.192 286 2HB LYS 37 2HB LYS 37 -14.956 -3.330 -1.624 287 1HG LYS 37 1HG LYS 37 -13.560 -0.684 -2.172 288 2HG LYS 37 2HG LYS 37 -15.260 -0.793 -1.729 289 1HD LYS 37 1HD LYS 37 -14.598 -1.936 0.408 290 2HD LYS 37 2HD LYS 37 -12.901 -1.631 0.005 291 1HE LYS 37 1HE LYS 37 -15.082 0.478 0.358 292 2HE LYS 37 2HE LYS 37 -13.827 0.075 1.538 293 1HZ LYS 37 1HZ LYS 37 -13.326 1.259 -1.134 294 2HZ LYS 37 2HZ LYS 37 -13.235 2.025 0.307 295 3HZ LYS 37 3HZ LYS 37 -12.174 0.836 -0.021 296 H LEU 38 H LEU 38 -14.029 -5.326 -1.426 297 HA LEU 38 HA LEU 38 -12.677 -5.356 1.089 298 1HB LEU 38 1HB LEU 38 -14.755 -6.479 0.800 299 2HB LEU 38 2HB LEU 38 -14.173 -7.432 -0.542 300 HG LEU 38 HG LEU 38 -14.564 -8.644 1.583 301 1HD1 LEU 38 1HD1 LEU 38 -13.028 -9.489 -0.265 302 2HD1 LEU 38 2HD1 LEU 38 -11.675 -9.003 0.782 303 3HD1 LEU 38 3HD1 LEU 38 -12.847 -10.191 1.343 304 1HD2 LEU 38 1HD2 LEU 38 -13.595 -6.915 3.122 305 2HD2 LEU 38 2HD2 LEU 38 -13.027 -8.563 3.407 306 3HD2 LEU 38 3HD2 LEU 38 -11.972 -7.416 2.584 307 H VAL 39 H VAL 39 -12.039 -7.092 -1.978 308 HA VAL 39 HA VAL 39 -9.712 -8.432 -0.989 309 HB VAL 39 HB VAL 39 -10.368 -7.784 -3.903 310 1HG1 VAL 39 1HG1 VAL 39 -8.148 -8.855 -3.472 311 2HG1 VAL 39 2HG1 VAL 39 -8.962 -10.187 -2.646 312 3HG1 VAL 39 3HG1 VAL 39 -9.230 -9.904 -4.383 313 1HG2 VAL 39 1HG2 VAL 39 -11.603 -9.994 -3.879 314 2HG2 VAL 39 2HG2 VAL 39 -11.505 -9.967 -2.110 315 3HG2 VAL 39 3HG2 VAL 39 -12.411 -8.721 -2.993 316 H GLU 40 H GLU 40 -10.225 -5.231 -2.525 317 HA GLU 40 HA GLU 40 -7.419 -4.740 -2.976 318 1HB GLU 40 1HB GLU 40 -9.182 -3.271 -4.050 319 2HB GLU 40 2HB GLU 40 -9.604 -2.665 -2.452 320 1HG GLU 40 1HG GLU 40 -7.400 -1.825 -2.046 321 2HG GLU 40 2HG GLU 40 -6.739 -2.596 -3.487 322 H GLN 41 H GLN 41 -9.656 -4.153 -0.199 323 HA GLN 41 HA GLN 41 -7.814 -2.744 1.362 324 1HB GLN 41 1HB GLN 41 -10.391 -3.232 1.623 325 2HB GLN 41 2HB GLN 41 -9.858 -4.554 2.660 326 1HG GLN 41 1HG GLN 41 -8.724 -3.004 4.149 327 2HG GLN 41 2HG GLN 41 -8.911 -1.666 3.009 328 1HE2 GLN 41 1HE2 GLN 41 -11.369 -1.310 2.327 329 2HE2 GLN 41 2HE2 GLN 41 -12.573 -1.455 3.599 330 H VAL 42 H VAL 42 -8.085 -6.214 0.827 331 HA VAL 42 HA VAL 42 -6.245 -6.991 2.931 332 HB VAL 42 HB VAL 42 -7.365 -8.359 0.454 333 1HG1 VAL 42 1HG1 VAL 42 -5.119 -9.333 0.823 334 2HG1 VAL 42 2HG1 VAL 42 -5.546 -9.664 2.511 335 3HG1 VAL 42 3HG1 VAL 42 -6.419 -10.469 1.192 336 1HG2 VAL 42 1HG2 VAL 42 -7.761 -8.655 3.456 337 2HG2 VAL 42 2HG2 VAL 42 -8.919 -7.975 2.297 338 3HG2 VAL 42 3HG2 VAL 42 -8.516 -9.693 2.235 339 H ALA 43 H ALA 43 -5.900 -6.541 -0.659 340 HA ALA 43 HA ALA 43 -3.098 -6.903 -0.721 341 1HB ALA 43 1HB ALA 43 -3.215 -5.675 -2.853 342 2HB ALA 43 2HB ALA 43 -4.527 -6.860 -2.733 343 3HB ALA 43 3HB ALA 43 -4.855 -5.128 -2.473 344 H LEU 44 H LEU 44 -5.008 -4.099 0.183 345 HA LEU 44 HA LEU 44 -2.851 -2.204 0.228 346 1HB LEU 44 1HB LEU 44 -5.656 -2.188 1.350 347 2HB LEU 44 2HB LEU 44 -4.551 -0.865 1.628 348 HG LEU 44 HG LEU 44 -5.415 -1.780 -1.131 349 1HD1 LEU 44 1HD1 LEU 44 -6.297 0.612 0.560 350 2HD1 LEU 44 2HD1 LEU 44 -6.850 0.230 -1.097 351 3HD1 LEU 44 3HD1 LEU 44 -7.267 -0.832 0.238 352 1HD2 LEU 44 1HD2 LEU 44 -3.298 -0.687 -1.352 353 2HD2 LEU 44 2HD2 LEU 44 -4.530 0.426 -1.884 354 3HD2 LEU 44 3HD2 LEU 44 -3.790 0.648 -0.283 355 H ASN 45 H ASN 45 -4.210 -4.398 2.731 356 HA ASN 45 HA ASN 45 -2.591 -2.921 4.769 357 1HB ASN 45 1HB ASN 45 -4.846 -4.920 4.995 358 2HB ASN 45 2HB ASN 45 -3.796 -4.528 6.357 359 1HD2 ASN 45 1HD2 ASN 45 -6.255 -3.220 4.186 360 2HD2 ASN 45 2HD2 ASN 45 -6.545 -1.760 5.158 361 H ALA 46 H ALA 46 -1.651 -4.955 2.510 362 HA ALA 46 HA ALA 46 0.054 -6.526 4.303 363 1HB ALA 46 1HB ALA 46 -1.385 -7.390 1.776 364 2HB ALA 46 2HB ALA 46 -0.080 -8.329 2.550 365 3HB ALA 46 3HB ALA 46 -1.612 -8.060 3.390 366 H TRP 47 H TRP 47 2.039 -7.080 3.476 367 HA TRP 47 HA TRP 47 3.054 -5.379 1.251 368 1HB TRP 47 1HB TRP 47 5.268 -5.546 2.221 369 2HB TRP 47 2HB TRP 47 4.154 -4.666 3.240 370 HD1 TRP 47 HD TRP 47 3.619 -5.612 5.605 371 HE1 TRP 47 1HE TRP 47 4.966 -7.128 7.175 372 HE3 TRP 47 3HE TRP 47 6.540 -7.935 2.110 373 HZ2 TRP 47 2HZ TRP 47 7.095 -9.074 6.916 374 HZ3 TRP 47 3HZ TRP 47 8.228 -9.614 2.808 375 HH2 TRP 47 HH TRP 47 8.520 -10.177 5.198 376 H LYS 48 H LYS 48 4.174 -6.538 -0.350 377 HA LYS 48 HA LYS 48 3.340 -9.366 -0.404 378 1HB LYS 48 1HB LYS 48 2.470 -7.723 -2.072 379 2HB LYS 48 2HB LYS 48 4.078 -7.360 -2.583 380 1HG LYS 48 1HG LYS 48 3.854 -10.174 -2.825 381 2HG LYS 48 2HG LYS 48 2.307 -9.533 -3.370 382 1HD LYS 48 1HD LYS 48 3.676 -9.667 -5.330 383 2HD LYS 48 2HD LYS 48 3.654 -7.951 -4.898 384 1HE LYS 48 1HE LYS 48 5.795 -8.194 -3.726 385 2HE LYS 48 2HE LYS 48 5.839 -9.897 -4.184 386 1HZ LYS 48 1HZ LYS 48 5.925 -7.539 -5.965 387 2HZ LYS 48 2HZ LYS 48 7.162 -8.539 -5.642 388 3HZ LYS 48 3HZ LYS 48 5.893 -9.087 -6.554 389 H GLU 49 H GLU 49 4.861 -10.751 0.287 390 HA GLU 49 HA GLU 49 7.734 -10.382 -0.283 391 1HB GLU 49 1HB GLU 49 6.983 -11.547 1.797 392 2HB GLU 49 2HB GLU 49 5.997 -12.626 0.819 393 1HG GLU 49 1HG GLU 49 8.262 -13.393 -0.261 394 2HG GLU 49 2HG GLU 49 8.970 -12.662 1.180 395 H GLU 50 H GLU 50 8.703 -11.544 -2.067 396 HA GLU 50 HA GLU 50 6.923 -13.277 -3.698 397 1HB GLU 50 1HB GLU 50 6.965 -11.235 -4.910 398 2HB GLU 50 2HB GLU 50 8.706 -11.035 -4.691 399 1HG GLU 50 1HG GLU 50 9.044 -13.122 -6.054 400 2HG GLU 50 2HG GLU 50 7.297 -13.205 -6.309 401 H SER 51 H SER 51 7.821 -15.137 -4.279 402 HA SER 51 HA SER 51 10.663 -15.686 -3.711 403 1HB SER 51 1HB SER 51 9.053 -16.821 -2.164 404 2HB SER 51 2HB SER 51 8.217 -17.504 -3.568 405 HG SER 51 HG SER 51 9.560 -19.057 -3.404 406 H ASP 52 H ASP 52 11.086 -17.714 -5.140 407 HA ASP 52 HA ASP 52 11.486 -17.036 -7.776 408 1HB ASP 52 1HB ASP 52 11.116 -19.719 -6.395 409 2HB ASP 52 2HB ASP 52 11.545 -19.622 -8.089 410 H ASN 53 H ASN 53 8.677 -18.816 -6.451 411 HA ASN 53 HA ASN 53 7.058 -18.348 -8.859 412 1HB ASN 53 1HB ASN 53 6.538 -20.823 -8.787 413 2HB ASN 53 2HB ASN 53 8.143 -20.398 -9.358 414 1HD2 ASN 53 1HD2 ASN 53 9.408 -22.164 -8.751 415 2HD2 ASN 53 2HD2 ASN 53 9.642 -22.616 -7.078 416 H ALA 54 H ALA 54 7.001 -17.488 -5.783 417 HA ALA 54 HA ALA 54 4.199 -18.156 -5.409 418 1HB ALA 54 1HB ALA 54 5.358 -20.003 -4.204 419 2HB ALA 54 2HB ALA 54 6.262 -18.797 -3.262 420 3HB ALA 54 3HB ALA 54 4.499 -18.914 -3.097 421 H VAL 55 H VAL 55 3.289 -16.692 -3.691 422 HA VAL 55 HA VAL 55 4.946 -14.293 -3.207 423 HB VAL 55 HB VAL 55 2.303 -14.261 -4.736 424 1HG1 VAL 55 1HG1 VAL 55 2.677 -11.851 -4.963 425 2HG1 VAL 55 2HG1 VAL 55 2.619 -12.275 -3.245 426 3HG1 VAL 55 3HG1 VAL 55 4.183 -11.979 -4.046 427 1HG2 VAL 55 1HG2 VAL 55 4.173 -14.895 -6.264 428 2HG2 VAL 55 2HG2 VAL 55 3.665 -13.245 -6.595 429 3HG2 VAL 55 3HG2 VAL 55 5.135 -13.549 -5.655 430 H CYS 56 H CYS 56 4.648 -13.765 -1.136 431 HA CYS 56 HA CYS 56 2.242 -14.850 0.279 432 1HB CYS 56 1HB CYS 56 4.948 -14.303 1.534 433 2HB CYS 56 2HB CYS 56 3.547 -15.056 2.287 434 HG CYS 56 HG CYS 56 5.941 -16.208 0.679 435 H LEU 57 H LEU 57 0.803 -13.277 0.577 436 HA LEU 57 HA LEU 57 1.706 -10.509 0.991 437 1HB LEU 57 1HB LEU 57 -0.962 -11.856 0.620 438 2HB LEU 57 2HB LEU 57 -0.930 -10.279 1.410 439 HG LEU 57 HG LEU 57 0.507 -10.793 -1.228 440 1HD1 LEU 57 1HD1 LEU 57 -2.228 -9.505 -0.905 441 2HD1 LEU 57 2HD1 LEU 57 -1.317 -9.790 -2.410 442 3HD1 LEU 57 3HD1 LEU 57 -1.958 -11.153 -1.502 443 1HD2 LEU 57 1HD2 LEU 57 -0.543 -8.184 -0.056 444 2HD2 LEU 57 2HD2 LEU 57 1.116 -8.729 0.195 445 3HD2 LEU 57 3HD2 LEU 57 0.532 -8.419 -1.433 446 H HIS 58 H HIS 58 2.643 -10.106 2.813 447 HA HIS 58 HA HIS 58 1.867 -11.368 5.385 448 1HB HIS 58 1HB HIS 58 3.867 -9.245 4.561 449 2HB HIS 58 2HB HIS 58 3.550 -9.617 6.244 450 HD1 HIS 58 HD1 HIS 58 5.406 -11.143 7.214 451 HD2 HIS 58 HD2 HIS 58 4.738 -11.602 3.060 452 HE1 HIS 58 HE1 HIS 58 7.100 -12.864 6.373 453 HE2 HIS 58 HE2 HIS 58 6.707 -13.158 3.870 454 H LEU 59 H LEU 59 -0.244 -10.686 5.853 455 HA LEU 59 HA LEU 59 -0.949 -7.811 5.570 456 1HB LEU 59 1HB LEU 59 -2.539 -9.686 4.851 457 2HB LEU 59 2HB LEU 59 -2.653 -10.142 6.541 458 HG LEU 59 HG LEU 59 -3.118 -7.282 6.435 459 1HD1 LEU 59 1HD1 LEU 59 -5.130 -7.202 5.000 460 2HD1 LEU 59 2HD1 LEU 59 -3.654 -7.504 4.077 461 3HD1 LEU 59 3HD1 LEU 59 -4.773 -8.840 4.420 462 1HD2 LEU 59 1HD2 LEU 59 -5.306 -7.859 7.289 463 2HD2 LEU 59 2HD2 LEU 59 -5.091 -9.536 6.746 464 3HD2 LEU 59 3HD2 LEU 59 -4.079 -8.894 8.063 465 H ARG 60 H ARG 60 -1.105 -6.441 7.339 466 HA ARG 60 HA ARG 60 0.268 -7.263 9.689 467 1HB ARG 60 1HB ARG 60 -1.580 -4.856 9.400 468 2HB ARG 60 2HB ARG 60 -0.498 -5.196 10.757 469 1HG ARG 60 1HG ARG 60 1.297 -5.392 8.757 470 2HG ARG 60 2HG ARG 60 0.137 -4.257 8.003 471 1HD ARG 60 1HD ARG 60 0.428 -3.099 10.421 472 2HD ARG 60 2HD ARG 60 1.955 -3.962 10.375 473 HE ARG 60 HE ARG 60 1.358 -1.536 9.060 474 1HH1 ARG 60 2HH2 ARG 60 2.660 -4.576 7.673 475 2HH1 ARG 60 1HH2 ARG 60 4.091 -3.782 7.076 476 1HH2 ARG 60 2HH1 ARG 60 3.380 -0.637 8.353 477 2HH2 ARG 60 1HH1 ARG 60 4.426 -1.605 7.339 478 H SER 61 H SER 61 -0.366 -8.450 11.412 479 HA SER 61 HA SER 61 -2.970 -9.376 11.767 480 1HB SER 61 1HB SER 61 -0.926 -9.018 13.961 481 2HB SER 61 2HB SER 61 -2.195 -10.225 13.835 482 HG SER 61 HG SER 61 -0.807 -11.417 12.897 483 H SER 62 H SER 62 -1.622 -6.249 12.484 484 HA SER 62 HA SER 62 -3.440 -5.435 14.525 485 1HB SER 62 1HB SER 62 -2.398 -3.481 12.495 486 2HB SER 62 2HB SER 62 -2.532 -3.336 14.244 487 HG SER 62 HG SER 62 -0.712 -5.131 14.070 488 H GLN 63 H GLN 63 -3.863 -5.946 11.096 489 HA GLN 63 HA GLN 63 -6.474 -4.516 11.039 490 1HB GLN 63 1HB GLN 63 -4.362 -4.620 8.850 491 2HB GLN 63 2HB GLN 63 -5.946 -3.855 8.727 492 1HG GLN 63 1HG GLN 63 -3.639 -2.990 10.519 493 2HG GLN 63 2HG GLN 63 -4.260 -2.146 9.113 494 1HE2 GLN 63 1HE2 GLN 63 -4.086 -1.294 12.107 495 2HE2 GLN 63 2HE2 GLN 63 -5.756 -0.883 12.469 496 H ARG 64 H ARG 64 -5.432 -7.426 11.332 497 HA ARG 64 HA ARG 64 -6.234 -8.869 9.015 498 1HB ARG 64 1HB ARG 64 -6.010 -10.871 10.397 499 2HB ARG 64 2HB ARG 64 -4.650 -9.772 10.502 500 1HG ARG 64 1HG ARG 64 -4.865 -10.235 12.709 501 2HG ARG 64 2HG ARG 64 -5.981 -8.858 12.658 502 1HD ARG 64 1HD ARG 64 -7.891 -10.386 12.545 503 2HD ARG 64 2HD ARG 64 -6.756 -11.750 12.499 504 HE ARG 64 HE ARG 64 -6.369 -9.961 14.768 505 1HH1 ARG 64 2HH2 ARG 64 -7.825 -13.022 13.646 506 2HH1 ARG 64 1HH2 ARG 64 -8.320 -13.482 15.247 507 1HH2 ARG 64 2HH1 ARG 64 -6.721 -10.746 16.857 508 2HH2 ARG 64 1HH1 ARG 64 -7.648 -12.176 17.116 509 H HIS 65 H HIS 65 -8.421 -7.214 10.960 510 HA HIS 65 HA HIS 65 -10.536 -9.141 11.064 511 1HB HIS 65 1HB HIS 65 -10.545 -6.867 12.161 512 2HB HIS 65 2HB HIS 65 -10.784 -6.153 10.566 513 HD1 HIS 65 HD1 HIS 65 -13.347 -5.617 10.192 514 HD2 HIS 65 HD2 HIS 65 -12.574 -8.984 12.664 515 HE1 HIS 65 HE1 HIS 65 -15.607 -6.580 10.869 516 HE2 HIS 65 HE2 HIS 65 -15.164 -8.590 12.377 517 H LEU 66 H LEU 66 -9.008 -7.616 8.321 518 HA LEU 66 HA LEU 66 -11.284 -8.169 6.508 519 1HB LEU 66 1HB LEU 66 -8.646 -6.687 6.247 520 2HB LEU 66 2HB LEU 66 -9.579 -7.135 4.838 521 HG LEU 66 HG LEU 66 -9.909 -4.803 5.523 522 1HD1 LEU 66 1HD1 LEU 66 -11.593 -5.823 4.173 523 2HD1 LEU 66 2HD1 LEU 66 -12.426 -6.505 5.589 524 3HD1 LEU 66 3HD1 LEU 66 -12.367 -4.748 5.339 525 1HD2 LEU 66 1HD2 LEU 66 -9.859 -5.143 8.012 526 2HD2 LEU 66 2HD2 LEU 66 -11.210 -4.153 7.439 527 3HD2 LEU 66 3HD2 LEU 66 -11.501 -5.833 7.905 528 H ASN 67 H ASN 67 -8.734 -10.000 7.774 529 HA ASN 67 HA ASN 67 -7.805 -11.186 5.264 530 1HB ASN 67 1HB ASN 67 -6.342 -11.067 7.325 531 2HB ASN 67 2HB ASN 67 -7.422 -12.172 8.138 532 1HD2 ASN 67 1HD2 ASN 67 -5.343 -13.507 8.306 533 2HD2 ASN 67 2HD2 ASN 67 -4.899 -14.488 6.909 534 H ASN 68 H ASN 68 -9.371 -12.277 4.116 535 HA ASN 68 HA ASN 68 -10.437 -14.653 5.462 536 1HB ASN 68 1HB ASN 68 -12.597 -14.466 4.530 537 2HB ASN 68 2HB ASN 68 -12.278 -12.973 5.405 538 1HD2 ASN 68 1HD2 ASN 68 -13.654 -14.102 2.693 539 2HD2 ASN 68 2HD2 ASN 68 -13.494 -12.704 1.629 540 H ARG 69 H ARG 69 -10.542 -16.473 4.200 541 HA ARG 69 HA ARG 69 -8.798 -16.620 1.946 542 1HB ARG 69 1HB ARG 69 -10.834 -18.473 3.196 543 2HB ARG 69 2HB ARG 69 -10.021 -18.922 1.691 544 1HG ARG 69 1HG ARG 69 -7.854 -18.839 2.673 545 2HG ARG 69 2HG ARG 69 -8.421 -17.951 4.092 546 1HD ARG 69 1HD ARG 69 -9.564 -19.805 4.978 547 2HD ARG 69 2HD ARG 69 -9.366 -20.760 3.491 548 HE ARG 69 HE ARG 69 -6.796 -20.038 4.401 549 1HH1 ARG 69 2HH2 ARG 69 -9.476 -22.060 5.622 550 2HH1 ARG 69 1HH2 ARG 69 -8.374 -23.120 6.484 551 1HH2 ARG 69 2HH1 ARG 69 -5.477 -21.431 5.461 552 2HH2 ARG 69 1HH1 ARG 69 -6.072 -22.880 6.245 553 H GLY 70 H GLY 70 -12.211 -15.813 2.080 554 1HA GLY 70 1HA GLY 70 -12.817 -16.195 -0.661 555 2HA GLY 70 2HA GLY 70 -13.593 -15.018 0.404 556 H ALA 71 H ALA 71 -11.032 -13.576 1.047 557 HA ALA 71 HA ALA 71 -10.857 -11.847 -1.267 558 1HB ALA 71 1HB ALA 71 -10.456 -10.973 1.054 559 2HB ALA 71 2HB ALA 71 -9.023 -12.000 1.189 560 3HB ALA 71 3HB ALA 71 -9.070 -10.707 -0.010 561 H GLN 72 H GLN 72 -8.766 -14.315 0.281 562 HA GLN 72 HA GLN 72 -6.511 -14.096 -1.314 563 1HB GLN 72 1HB GLN 72 -6.738 -15.603 0.713 564 2HB GLN 72 2HB GLN 72 -7.744 -16.677 -0.255 565 1HG GLN 72 1HG GLN 72 -5.716 -16.861 -1.872 566 2HG GLN 72 2HG GLN 72 -4.786 -16.119 -0.599 567 1HE2 GLN 72 1HE2 GLN 72 -3.545 -18.230 -0.823 568 2HE2 GLN 72 2HE2 GLN 72 -4.152 -19.629 0.025 569 H GLN 73 H GLN 73 -9.450 -16.006 -1.990 570 HA GLN 73 HA GLN 73 -8.452 -17.348 -4.259 571 1HB GLN 73 1HB GLN 73 -10.776 -17.437 -2.848 572 2HB GLN 73 2HB GLN 73 -11.349 -16.504 -4.202 573 1HG GLN 73 1HG GLN 73 -11.835 -18.719 -4.709 574 2HG GLN 73 2HG GLN 73 -10.448 -18.332 -5.738 575 1HE2 GLN 73 1HE2 GLN 73 -10.976 -20.882 -5.548 576 2HE2 GLN 73 2HE2 GLN 73 -9.944 -21.760 -4.429 577 H LYS 74 H LYS 74 -10.216 -14.295 -4.047 578 HA LYS 74 HA LYS 74 -10.223 -13.871 -6.925 579 1HB LYS 74 1HB LYS 74 -11.892 -12.915 -5.198 580 2HB LYS 74 2HB LYS 74 -10.600 -11.856 -4.666 581 1HG LYS 74 1HG LYS 74 -11.719 -10.439 -6.066 582 2HG LYS 74 2HG LYS 74 -10.554 -11.068 -7.203 583 1HD LYS 74 1HD LYS 74 -13.361 -12.177 -6.821 584 2HD LYS 74 2HD LYS 74 -13.016 -10.882 -7.925 585 1HE LYS 74 1HE LYS 74 -11.563 -13.517 -8.228 586 2HE LYS 74 2HE LYS 74 -13.210 -13.312 -8.815 587 1HZ LYS 74 1HZ LYS 74 -12.534 -11.562 -10.214 588 2HZ LYS 74 2HZ LYS 74 -10.964 -11.600 -9.656 589 3HZ LYS 74 3HZ LYS 74 -11.563 -12.878 -10.486 590 H LEU 75 H LEU 75 -8.175 -12.843 -4.187 591 HA LEU 75 HA LEU 75 -6.527 -11.029 -5.651 592 1HB LEU 75 1HB LEU 75 -6.821 -11.748 -2.985 593 2HB LEU 75 2HB LEU 75 -5.438 -12.588 -3.345 594 HG LEU 75 HG LEU 75 -5.920 -9.599 -3.674 595 1HD1 LEU 75 1HD1 LEU 75 -4.481 -9.372 -1.682 596 2HD1 LEU 75 2HD1 LEU 75 -5.905 -10.362 -1.353 597 3HD1 LEU 75 3HD1 LEU 75 -4.335 -11.143 -1.583 598 1HD2 LEU 75 1HD2 LEU 75 -3.234 -10.986 -3.985 599 2HD2 LEU 75 2HD2 LEU 75 -4.178 -10.229 -5.284 600 3HD2 LEU 75 3HD2 LEU 75 -3.540 -9.242 -3.977 601 H ALA 76 H ALA 76 -6.467 -14.603 -5.194 602 HA ALA 76 HA ALA 76 -3.827 -15.001 -6.182 603 1HB ALA 76 1HB ALA 76 -6.190 -16.921 -6.002 604 2HB ALA 76 2HB ALA 76 -4.497 -17.379 -6.266 605 3HB ALA 76 3HB ALA 76 -4.987 -16.635 -4.732 606 H GLU 77 H GLU 77 -7.042 -15.165 -7.708 607 HA GLU 77 HA GLU 77 -6.168 -15.842 -10.347 608 1HB GLU 77 1HB GLU 77 -8.509 -15.901 -9.376 609 2HB GLU 77 2HB GLU 77 -8.540 -14.146 -9.364 610 1HG GLU 77 1HG GLU 77 -8.537 -14.018 -11.762 611 2HG GLU 77 2HG GLU 77 -8.130 -15.738 -11.919 612 H ALA 78 H ALA 78 -6.406 -12.746 -8.596 613 HA ALA 78 HA ALA 78 -5.752 -11.056 -10.839 614 1HB ALA 78 1HB ALA 78 -6.823 -10.352 -8.588 615 2HB ALA 78 2HB ALA 78 -5.174 -10.369 -7.933 616 3HB ALA 78 3HB ALA 78 -5.599 -9.298 -9.279 617 H LEU 79 H LEU 79 -3.773 -12.465 -8.170 618 HA LEU 79 HA LEU 79 -1.329 -11.409 -9.120 619 1HB LEU 79 1HB LEU 79 -2.202 -13.066 -6.920 620 2HB LEU 79 2HB LEU 79 -0.788 -13.815 -7.641 621 HG LEU 79 HG LEU 79 -0.897 -10.848 -6.936 622 1HD1 LEU 79 1HD1 LEU 79 -1.298 -12.000 -4.929 623 2HD1 LEU 79 2HD1 LEU 79 0.056 -13.131 -5.204 624 3HD1 LEU 79 3HD1 LEU 79 0.353 -11.393 -4.903 625 1HD2 LEU 79 1HD2 LEU 79 0.912 -11.639 -8.559 626 2HD2 LEU 79 2HD2 LEU 79 1.563 -11.002 -7.041 627 3HD2 LEU 79 3HD2 LEU 79 1.472 -12.755 -7.317 628 H SER 80 H SER 80 -3.057 -14.382 -9.918 629 HA SER 80 HA SER 80 -0.925 -15.629 -11.374 630 1HB SER 80 1HB SER 80 -3.961 -15.923 -11.475 631 2HB SER 80 2HB SER 80 -2.853 -16.994 -12.324 632 HG SER 80 HG SER 80 -3.202 -16.581 -9.562 633 H MET 81 H MET 81 -3.516 -13.304 -12.286 634 HA MET 81 HA MET 81 -2.768 -13.250 -15.086 635 1HB MET 81 1HB MET 81 -4.984 -12.471 -14.255 636 2HB MET 81 2HB MET 81 -4.197 -11.151 -13.380 637 1HG MET 81 1HG MET 81 -5.107 -10.337 -15.486 638 2HG MET 81 2HG MET 81 -3.354 -10.214 -15.494 639 1HE MET 81 1HE MET 81 -2.692 -10.149 -17.953 640 2HE MET 81 2HE MET 81 -3.627 -10.947 -19.235 641 3HE MET 81 3HE MET 81 -4.401 -9.733 -18.196 642 H LEU 82 H LEU 82 -1.852 -11.399 -12.180 643 HA LEU 82 HA LEU 82 -0.378 -9.347 -13.419 644 1HB LEU 82 1HB LEU 82 -1.103 -9.212 -11.102 645 2HB LEU 82 2HB LEU 82 -0.190 -10.646 -10.688 646 HG LEU 82 HG LEU 82 1.926 -9.566 -10.971 647 1HD1 LEU 82 1HD1 LEU 82 0.516 -6.929 -11.573 648 2HD1 LEU 82 2HD1 LEU 82 2.256 -7.300 -11.555 649 3HD1 LEU 82 3HD1 LEU 82 1.256 -7.943 -12.828 650 1HD2 LEU 82 1HD2 LEU 82 0.610 -9.380 -8.825 651 2HD2 LEU 82 2HD2 LEU 82 1.838 -8.144 -9.057 652 3HD2 LEU 82 3HD2 LEU 82 0.123 -7.760 -9.329 653 H LYS 83 H LYS 83 0.765 -12.398 -11.907 654 HA LYS 83 HA LYS 83 3.494 -11.819 -12.744 655 1HB LYS 83 1HB LYS 83 2.528 -13.282 -10.706 656 2HB LYS 83 2HB LYS 83 2.634 -14.584 -11.878 657 1HG LYS 83 1HG LYS 83 4.635 -14.497 -10.475 658 2HG LYS 83 2HG LYS 83 5.089 -14.130 -12.143 659 1HD LYS 83 1HD LYS 83 5.482 -11.855 -11.673 660 2HD LYS 83 2HD LYS 83 4.391 -11.849 -10.292 661 1HE LYS 83 1HE LYS 83 6.557 -11.571 -9.441 662 2HE LYS 83 2HE LYS 83 6.021 -13.188 -8.971 663 1HZ LYS 83 1HZ LYS 83 7.520 -14.133 -10.495 664 2HZ LYS 83 2HZ LYS 83 7.782 -12.719 -11.312 665 3HZ LYS 83 3HZ LYS 83 8.344 -12.906 -9.786 666 H GLY 84 H GLY 84 0.820 -13.036 -14.448 667 1HA GLY 84 1HA GLY 84 0.689 -13.717 -16.636 668 2HA GLY 84 2HA GLY 84 2.453 -13.791 -16.737 669 H SER 85 H SER 85 1.755 -15.465 -13.955 670 HA SER 85 HA SER 85 1.406 -18.119 -15.239 671 1HB SER 85 1HB SER 85 3.359 -18.833 -13.806 672 2HB SER 85 2HB SER 85 3.827 -17.696 -15.087 673 HG SER 85 HG SER 85 3.114 -16.852 -12.476 674 H THR 86 H THR 86 0.629 -19.718 -13.679 675 HA THR 86 HA THR 86 -1.019 -18.766 -11.558 676 HB THR 86 HB THR 86 0.176 -21.521 -12.104 677 HG1 THR 86 1HG THR 86 -2.390 -20.529 -12.803 678 1HG2 THR 86 1HG2 THR 86 -1.809 -22.390 -10.915 679 2HG2 THR 86 2HG2 THR 86 -0.796 -21.423 -9.840 680 3HG2 THR 86 3HG2 THR 86 -2.289 -20.725 -10.490 681 H VAL 87 H VAL 87 -0.455 -18.131 -9.555 682 HA VAL 87 HA VAL 87 2.286 -18.678 -8.502 683 HB VAL 87 HB VAL 87 0.489 -16.250 -8.674 684 1HG1 VAL 87 1HG1 VAL 87 0.806 -16.316 -6.272 685 2HG1 VAL 87 2HG1 VAL 87 2.559 -16.569 -6.475 686 3HG1 VAL 87 3HG1 VAL 87 1.789 -15.049 -6.983 687 1HG2 VAL 87 1HG2 VAL 87 2.385 -16.580 -10.243 688 2HG2 VAL 87 2HG2 VAL 87 2.596 -15.146 -9.228 689 3HG2 VAL 87 3HG2 VAL 87 3.512 -16.627 -8.873 690 H GLU 88 H GLU 88 2.430 -18.978 -6.156 691 HA GLU 88 HA GLU 88 -0.088 -20.028 -4.997 692 1HB GLU 88 1HB GLU 88 2.821 -20.581 -4.426 693 2HB GLU 88 2HB GLU 88 1.579 -20.880 -3.200 694 1HG GLU 88 1HG GLU 88 1.427 -22.051 -6.010 695 2HG GLU 88 2HG GLU 88 2.218 -22.863 -4.663 696 H LEU 89 H LEU 89 -1.026 -18.113 -4.747 697 HA LEU 89 HA LEU 89 0.242 -15.949 -3.295 698 1HB LEU 89 1HB LEU 89 -1.378 -15.255 -4.834 699 2HB LEU 89 2HB LEU 89 -2.576 -16.419 -4.238 700 HG LEU 89 HG LEU 89 -2.851 -15.237 -2.148 701 1HD1 LEU 89 1HD1 LEU 89 -1.839 -13.313 -1.421 702 2HD1 LEU 89 2HD1 LEU 89 -0.447 -14.262 -1.916 703 3HD1 LEU 89 3HD1 LEU 89 -1.041 -12.959 -2.954 704 1HD2 LEU 89 1HD2 LEU 89 -2.905 -13.519 -4.631 705 2HD2 LEU 89 2HD2 LEU 89 -4.209 -14.399 -3.788 706 3HD2 LEU 89 3HD2 LEU 89 -3.469 -12.959 -3.051 707 H THR 90 H THR 90 0.693 -16.208 -1.257 708 HA THR 90 HA THR 90 -1.035 -17.858 0.534 709 HB THR 90 HB THR 90 1.744 -16.791 1.050 710 HG1 THR 90 1HG THR 90 1.781 -18.074 -0.874 711 1HG2 THR 90 1HG2 THR 90 1.988 -18.722 2.537 712 2HG2 THR 90 2HG2 THR 90 0.635 -17.693 3.010 713 3HG2 THR 90 3HG2 THR 90 0.327 -19.226 2.150 714 H ILE 91 H ILE 91 -1.514 -16.769 2.587 715 HA ILE 91 HA ILE 91 -1.203 -13.796 2.628 716 HB ILE 91 HB ILE 91 -3.693 -15.122 3.758 717 1HG1 ILE 91 1HG1 ILE 91 -3.760 -15.449 1.270 718 2HG1 ILE 91 2HG1 ILE 91 -5.097 -14.608 2.028 719 1HG2 ILE 91 1HG2 ILE 91 -4.521 -12.755 3.707 720 2HG2 ILE 91 2HG2 ILE 91 -3.091 -12.981 4.726 721 3HG2 ILE 91 3HG2 ILE 91 -2.926 -12.237 3.126 722 1HD1 ILE 91 1HD1 ILE 91 -4.389 -13.621 -0.153 723 2HD1 ILE 91 2HD1 ILE 91 -4.391 -12.471 1.191 724 3HD1 ILE 91 3HD1 ILE 91 -2.852 -13.154 0.615 725 H VAL 92 H VAL 92 0.159 -13.572 4.420 726 HA VAL 92 HA VAL 92 -0.174 -15.561 6.618 727 HB VAL 92 HB VAL 92 2.044 -15.308 7.302 728 1HG1 VAL 92 1HG1 VAL 92 2.034 -15.989 4.320 729 2HG1 VAL 92 2HG1 VAL 92 3.163 -16.590 5.547 730 3HG1 VAL 92 3HG1 VAL 92 1.457 -17.068 5.607 731 1HG2 VAL 92 1HG2 VAL 92 2.555 -13.558 4.853 732 2HG2 VAL 92 2HG2 VAL 92 2.669 -13.073 6.566 733 3HG2 VAL 92 3HG2 VAL 92 3.810 -14.244 5.905 734 H GLU 93 H GLU 93 -0.440 -14.771 8.587 735 HA GLU 93 HA GLU 93 -1.365 -11.956 8.710 736 1HB GLU 93 1HB GLU 93 -2.651 -14.149 9.427 737 2HB GLU 93 2HB GLU 93 -1.714 -14.032 10.913 738 1HG GLU 93 1HG GLU 93 -2.738 -11.884 11.423 739 2HG GLU 93 2HG GLU 93 -3.365 -11.729 9.780 740 H ASP 94 H ASP 94 0.385 -10.662 9.046 741 HA ASP 94 HA ASP 94 2.373 -11.323 11.131 742 1HB ASP 94 1HB ASP 94 3.348 -12.224 9.099 743 2HB ASP 94 2HB ASP 94 3.046 -10.714 8.237 744 H ASP 95 H ASP 95 1.701 -9.756 12.360 745 HA ASP 95 HA ASP 95 0.903 -7.100 12.027 746 1HB ASP 95 1HB ASP 95 1.126 -8.789 14.080 747 2HB ASP 95 2HB ASP 95 2.720 -8.111 14.248 748 H ASN 96 H ASN 96 4.072 -8.336 11.403 749 HA ASN 96 HA ASN 96 5.703 -6.412 12.431 750 1HB ASN 96 1HB ASN 96 6.551 -8.464 11.527 751 2HB ASN 96 2HB ASN 96 6.112 -7.956 9.878 752 1HD2 ASN 96 1HD2 ASN 96 7.802 -6.531 12.754 753 2HD2 ASN 96 2HD2 ASN 96 9.139 -5.860 11.853 754 HA PRO 97 HA PRO 97 4.438 -3.001 9.869 755 1HB PRO 97 1HB PRO 97 5.146 -0.926 11.439 756 2HB PRO 97 2HB PRO 97 3.855 -2.069 11.931 757 1HG PRO 97 1HG PRO 97 6.789 -2.122 12.722 758 2HG PRO 97 2HG PRO 97 5.364 -2.196 13.800 759 1HD PRO 97 1HD PRO 97 6.724 -4.407 12.899 760 2HD PRO 97 2HD PRO 97 4.976 -4.442 13.237 761 H ALA 98 H ALA 98 7.689 -3.922 10.558 762 HA ALA 98 HA ALA 98 9.072 -1.631 9.750 763 1HB ALA 98 1HB ALA 98 11.022 -3.120 9.601 764 2HB ALA 98 2HB ALA 98 10.072 -3.460 11.055 765 3HB ALA 98 3HB ALA 98 9.945 -4.536 9.639 766 H VAL 99 H VAL 99 7.456 -3.860 7.835 767 HA VAL 99 HA VAL 99 8.720 -2.839 5.332 768 HB VAL 99 HB VAL 99 6.784 -5.143 5.461 769 1HG1 VAL 99 1HG1 VAL 99 8.943 -4.306 3.475 770 2HG1 VAL 99 2HG1 VAL 99 7.959 -5.765 3.332 771 3HG1 VAL 99 3HG1 VAL 99 7.185 -4.178 3.244 772 1HG2 VAL 99 1HG2 VAL 99 8.511 -5.932 6.936 773 2HG2 VAL 99 2HG2 VAL 99 8.747 -6.702 5.369 774 3HG2 VAL 99 3HG2 VAL 99 9.784 -5.355 5.845 775 H ARG 100 H ARG 100 7.454 -1.621 3.960 776 HA ARG 100 HA ARG 100 4.970 -0.522 5.106 777 1HB ARG 100 1HB ARG 100 6.464 0.182 2.544 778 2HB ARG 100 2HB ARG 100 5.127 1.096 3.226 779 1HG ARG 100 1HG ARG 100 7.848 0.694 4.531 780 2HG ARG 100 2HG ARG 100 7.375 2.113 3.605 781 1HD ARG 100 1HD ARG 100 5.799 2.821 5.247 782 2HD ARG 100 2HD ARG 100 5.850 1.261 6.096 783 HE ARG 100 HE ARG 100 8.447 2.074 6.126 784 1HH1 ARG 100 2HH2 ARG 100 5.547 3.861 7.232 785 2HH1 ARG 100 1HH2 ARG 100 6.317 4.380 8.702 786 1HH2 ARG 100 2HH1 ARG 100 9.339 2.658 8.050 787 2HH2 ARG 100 1HH1 ARG 100 8.666 3.902 9.041 788 H THR 101 H THR 101 2.931 -0.880 4.299 789 HA THR 101 HA THR 101 2.496 -2.967 2.291 790 HB THR 101 HB THR 101 0.147 -2.586 2.989 791 HG1 THR 101 1HG THR 101 -0.146 -1.038 4.768 792 1HG2 THR 101 1HG2 THR 101 1.883 -2.575 5.473 793 2HG2 THR 101 2HG2 THR 101 0.264 -3.253 5.288 794 3HG2 THR 101 3HG2 THR 101 1.639 -3.986 4.431 795 HA PRO 102 HA PRO 102 2.173 0.170 -0.885 796 1HB PRO 102 1HB PRO 102 -0.137 -0.063 -2.294 797 2HB PRO 102 2HB PRO 102 1.149 -1.311 -2.345 798 1HG PRO 102 1HG PRO 102 -1.327 -1.248 -0.672 799 2HG PRO 102 2HG PRO 102 -0.731 -2.618 -1.653 800 1HD PRO 102 1HD PRO 102 -0.333 -2.389 1.046 801 2HD PRO 102 2HD PRO 102 0.895 -3.146 0.030 802 H LEU 103 H LEU 103 -0.565 -0.061 1.274 803 HA LEU 103 HA LEU 103 -1.650 2.593 1.021 804 1HB LEU 103 1HB LEU 103 -2.827 0.604 1.813 805 2HB LEU 103 2HB LEU 103 -1.744 0.438 3.184 806 HG LEU 103 HG LEU 103 -3.427 2.944 2.836 807 1HD1 LEU 103 1HD1 LEU 103 -4.233 0.251 4.029 808 2HD1 LEU 103 2HD1 LEU 103 -5.100 1.767 4.315 809 3HD1 LEU 103 3HD1 LEU 103 -5.010 1.120 2.680 810 1HD2 LEU 103 1HD2 LEU 103 -3.300 2.883 5.360 811 2HD2 LEU 103 2HD2 LEU 103 -2.217 1.470 5.219 812 3HD2 LEU 103 3HD2 LEU 103 -1.720 3.040 4.609 813 H GLU 104 H GLU 104 0.648 0.981 3.349 814 HA GLU 104 HA GLU 104 1.209 3.470 4.689 815 1HB GLU 104 1HB GLU 104 2.466 0.730 4.705 816 2HB GLU 104 2HB GLU 104 3.323 2.055 5.447 817 1HG GLU 104 1HG GLU 104 0.434 1.473 6.170 818 2HG GLU 104 2HG GLU 104 1.785 0.628 6.928 819 H TRP 105 H TRP 105 2.628 1.889 1.796 820 HA TRP 105 HA TRP 105 4.901 3.586 1.604 821 1HB TRP 105 1HB TRP 105 3.326 1.903 -0.313 822 2HB TRP 105 2HB TRP 105 4.253 3.207 -1.004 823 HD1 TRP 105 HD TRP 105 4.654 -0.287 -0.151 824 HE1 TRP 105 1HE TRP 105 7.097 -0.983 -0.318 825 HE3 TRP 105 3HE TRP 105 6.786 4.345 -0.320 826 HZ2 TRP 105 2HZ TRP 105 9.687 0.313 -0.461 827 HZ3 TRP 105 3HZ TRP 105 9.243 4.600 -0.586 828 HH2 TRP 105 HH TRP 105 10.711 2.576 -0.625 829 H ARG 106 H ARG 106 1.492 4.019 0.526 830 HA ARG 106 HA ARG 106 1.876 6.522 -0.748 831 1HB ARG 106 1HB ARG 106 -0.214 5.116 -0.773 832 2HB ARG 106 2HB ARG 106 -0.566 5.679 0.859 833 1HG ARG 106 1HG ARG 106 -0.677 7.986 0.098 834 2HG ARG 106 2HG ARG 106 -0.225 7.514 -1.547 835 1HD ARG 106 1HD ARG 106 -2.276 6.434 -1.959 836 2HD ARG 106 2HD ARG 106 -2.595 6.178 -0.255 837 HE ARG 106 HE ARG 106 -3.488 8.406 -1.814 838 1HH1 ARG 106 2HH2 ARG 106 -2.309 7.580 1.432 839 2HH1 ARG 106 1HH2 ARG 106 -3.397 8.606 2.274 840 1HH2 ARG 106 2HH1 ARG 106 -5.094 9.643 -0.638 841 2HH2 ARG 106 1HH1 ARG 106 -4.745 10.067 1.024 842 H GLN 107 H GLN 107 1.238 5.825 2.693 843 HA GLN 107 HA GLN 107 1.333 8.643 3.407 844 1HB GLN 107 1HB GLN 107 0.365 6.511 4.701 845 2HB GLN 107 2HB GLN 107 1.970 6.475 5.417 846 1HG GLN 107 1HG GLN 107 -0.045 8.763 5.462 847 2HG GLN 107 2HG GLN 107 0.386 7.733 6.816 848 1HE2 GLN 107 1HE2 GLN 107 2.807 7.788 7.428 849 2HE2 GLN 107 2HE2 GLN 107 3.630 9.325 7.319 850 H ALA 108 H ALA 108 3.779 5.995 3.384 851 HA ALA 108 HA ALA 108 5.857 7.444 4.664 852 1HB ALA 108 1HB ALA 108 6.078 5.168 2.646 853 2HB ALA 108 2HB ALA 108 7.349 5.732 3.740 854 3HB ALA 108 3HB ALA 108 5.898 4.976 4.410 855 H ILE 109 H ILE 109 4.820 7.330 1.242 856 HA ILE 109 HA ILE 109 7.088 8.720 0.202 857 HB ILE 109 HB ILE 109 4.248 8.262 -0.697 858 1HG1 ILE 109 1HG1 ILE 109 6.249 6.502 -0.525 859 2HG1 ILE 109 2HG1 ILE 109 5.071 6.452 -1.784 860 1HG2 ILE 109 1HG2 ILE 109 4.816 10.369 -1.752 861 2HG2 ILE 109 2HG2 ILE 109 6.352 9.722 -2.329 862 3HG2 ILE 109 3HG2 ILE 109 4.807 9.060 -2.933 863 1HD1 ILE 109 1HD1 ILE 109 7.873 7.609 -1.991 864 2HD1 ILE 109 2HD1 ILE 109 7.314 6.045 -2.617 865 3HD1 ILE 109 3HD1 ILE 109 6.706 7.538 -3.338 866 H TYR 110 H TYR 110 4.296 9.848 2.051 867 HA TYR 110 HA TYR 110 4.781 12.650 1.335 868 1HB TYR 110 1HB TYR 110 2.543 11.657 2.203 869 2HB TYR 110 2HB TYR 110 3.279 11.707 3.789 870 HD1 TYR 110 HD1 TYR 110 4.424 14.084 4.432 871 HD2 TYR 110 HD2 TYR 110 1.437 13.539 1.371 872 HE1 TYR 110 HE1 TYR 110 3.897 16.505 4.507 873 HE2 TYR 110 HE2 TYR 110 0.852 15.940 1.506 874 HH TYR 110 HH TYR 110 1.088 17.714 3.534 875 H GLU 111 H GLU 111 5.344 10.427 4.075 876 HA GLU 111 HA GLU 111 6.849 12.312 5.572 877 1HB GLU 111 1HB GLU 111 5.599 10.137 6.362 878 2HB GLU 111 2HB GLU 111 7.175 9.373 6.049 879 1HG GLU 111 1HG GLU 111 8.213 11.261 7.455 880 2HG GLU 111 2HG GLU 111 6.587 11.808 7.815 881 H GLU 112 H GLU 112 7.810 10.288 2.889 882 HA GLU 112 HA GLU 112 10.580 10.149 3.263 883 1HB GLU 112 1HB GLU 112 8.653 10.189 0.971 884 2HB GLU 112 2HB GLU 112 10.288 10.562 0.569 885 1HG GLU 112 1HG GLU 112 9.500 8.051 2.098 886 2HG GLU 112 2HG GLU 112 9.557 8.135 0.338 887 H LYS 113 H LYS 113 8.480 12.881 2.323 888 HA LYS 113 HA LYS 113 10.826 14.539 1.624 889 1HB LYS 113 1HB LYS 113 8.725 14.890 0.461 890 2HB LYS 113 2HB LYS 113 7.910 15.347 1.967 891 1HG LYS 113 1HG LYS 113 9.133 17.355 2.172 892 2HG LYS 113 2HG LYS 113 10.416 16.812 1.102 893 1HD LYS 113 1HD LYS 113 7.586 17.465 0.191 894 2HD LYS 113 2HD LYS 113 8.937 18.599 0.132 895 1HE LYS 113 1HE LYS 113 8.813 15.927 -1.334 896 2HE LYS 113 2HE LYS 113 8.499 17.504 -2.063 897 1HZ LYS 113 1HZ LYS 113 10.756 16.653 -2.432 898 2HZ LYS 113 2HZ LYS 113 10.778 18.117 -1.663 899 3HZ LYS 113 3HZ LYS 113 11.083 16.728 -0.845 900 H LEU 114 H LEU 114 8.986 13.773 4.481 901 HA LEU 114 HA LEU 114 9.958 16.052 6.078 902 1HB LEU 114 1HB LEU 114 8.581 13.436 6.806 903 2HB LEU 114 2HB LEU 114 9.267 14.493 8.008 904 HG LEU 114 HG LEU 114 6.862 14.756 7.826 905 1HD1 LEU 114 1HD1 LEU 114 6.762 17.152 7.831 906 2HD1 LEU 114 2HD1 LEU 114 8.329 16.691 8.488 907 3HD1 LEU 114 3HD1 LEU 114 8.219 17.274 6.817 908 1HD2 LEU 114 1HD2 LEU 114 5.742 15.770 5.960 909 2HD2 LEU 114 2HD2 LEU 114 7.265 15.959 5.062 910 3HD2 LEU 114 3HD2 LEU 114 6.594 14.350 5.362 911 H ALA 115 H ALA 115 10.696 12.579 5.636 912 HA ALA 115 HA ALA 115 12.907 12.482 7.445 913 1HB ALA 115 1HB ALA 115 11.708 10.470 6.704 914 2HB ALA 115 2HB ALA 115 12.231 10.752 5.020 915 3HB ALA 115 3HB ALA 115 13.428 10.375 6.273 916 H GLN 116 H GLN 116 12.632 13.181 3.933 917 HA GLN 116 HA GLN 116 15.397 13.187 3.464 918 1HB GLN 116 1HB GLN 116 13.026 14.259 1.998 919 2HB GLN 116 2HB GLN 116 14.604 14.810 1.503 920 1HG GLN 116 1HG GLN 116 13.932 11.855 1.756 921 2HG GLN 116 2HG GLN 116 13.786 12.783 0.263 922 1HE2 GLN 116 1HE2 GLN 116 15.728 10.492 1.302 923 2HE2 GLN 116 2HE2 GLN 116 17.291 11.094 0.792 924 H ALA 117 H ALA 117 13.361 15.620 4.896 925 HA ALA 117 HA ALA 117 15.231 17.808 4.648 926 1HB ALA 117 1HB ALA 117 12.802 18.035 5.295 927 2HB ALA 117 2HB ALA 117 13.220 17.397 6.902 928 3HB ALA 117 3HB ALA 117 13.927 18.919 6.341 929 H ARG 118 H ARG 118 15.289 14.895 6.582 930 HA ARG 118 HA ARG 118 17.402 15.956 8.329 931 1HB ARG 118 1HB ARG 118 15.432 14.561 9.277 932 2HB ARG 118 2HB ARG 118 16.152 13.185 8.429 933 1HG ARG 118 1HG ARG 118 18.319 13.704 9.689 934 2HG ARG 118 2HG ARG 118 17.411 14.880 10.635 935 1HD ARG 118 1HD ARG 118 16.779 11.898 10.409 936 2HD ARG 118 2HD ARG 118 17.679 12.631 11.730 937 HE ARG 118 HE ARG 118 14.819 12.595 11.354 938 1HH1 ARG 118 2HH2 ARG 118 17.425 14.432 12.942 939 2HH1 ARG 118 1HH2 ARG 118 16.425 14.933 14.266 940 1HH2 ARG 118 2HH1 ARG 118 13.505 13.357 12.928 941 2HH2 ARG 118 1HH1 ARG 118 14.065 14.390 14.213 942 H GLU 119 H GLU 119 16.703 13.635 5.686 943 HA GLU 119 HA GLU 119 19.188 12.329 5.603 944 1HB GLU 119 1HB GLU 119 17.376 13.068 3.321 945 2HB GLU 119 2HB GLU 119 18.757 12.029 3.190 946 1HG GLU 119 1HG GLU 119 16.714 11.292 5.286 947 2HG GLU 119 2HG GLU 119 16.301 11.021 3.605 948 H SER 120 H SER 120 18.186 15.496 4.195 949 HA SER 120 HA SER 120 20.572 16.092 2.853 950 1HB SER 120 1HB SER 120 18.629 17.883 4.373 951 2HB SER 120 2HB SER 120 19.926 18.504 3.335 952 HG SER 120 HG SER 120 18.984 17.775 1.604 953 H ILE 121 H ILE 121 19.897 16.280 6.338 954 HA ILE 121 HA ILE 121 22.347 17.692 7.028 955 HB ILE 121 HB ILE 121 20.503 16.066 8.835 956 1HG1 ILE 121 1HG1 ILE 121 20.284 19.059 8.263 957 2HG1 ILE 121 2HG1 ILE 121 19.213 17.850 7.559 958 1HG2 ILE 121 1HG2 ILE 121 21.407 17.450 10.638 959 2HG2 ILE 121 2HG2 ILE 121 22.720 16.661 9.782 960 3HG2 ILE 121 3HG2 ILE 121 22.373 18.376 9.472 961 1HD1 ILE 121 1HD1 ILE 121 19.428 18.494 10.499 962 2HD1 ILE 121 2HD1 ILE 121 18.070 18.805 9.411 963 3HD1 ILE 121 3HD1 ILE 121 18.502 17.138 9.844 964 H ILE 122 H ILE 122 21.127 14.340 6.921 965 HA ILE 122 HA ILE 122 23.384 13.034 7.987 966 HB ILE 122 HB ILE 122 20.870 12.366 6.726 967 1HG1 ILE 122 1HG1 ILE 122 20.979 10.390 8.190 968 2HG1 ILE 122 2HG1 ILE 122 22.624 10.820 8.640 969 1HG2 ILE 122 1HG2 ILE 122 22.048 11.345 4.877 970 2HG2 ILE 122 2HG2 ILE 122 23.082 10.441 6.003 971 3HG2 ILE 122 3HG2 ILE 122 21.342 10.114 5.912 972 1HD1 ILE 122 1HD1 ILE 122 21.753 12.990 9.585 973 2HD1 ILE 122 2HD1 ILE 122 20.120 12.512 9.072 974 3HD1 ILE 122 3HD1 ILE 122 20.973 11.584 10.314 975 H ALA 123 H ALA 123 22.573 13.716 4.601 976 HA ALA 123 HA ALA 123 24.837 12.646 3.377 977 1HB ALA 123 1HB ALA 123 22.794 13.364 2.200 978 2HB ALA 123 2HB ALA 123 23.179 15.064 2.552 979 3HB ALA 123 3HB ALA 123 24.236 14.107 1.493 980 H ASP 124 H ASP 124 24.464 15.686 5.126 981 HA ASP 124 HA ASP 124 27.060 16.717 4.180 982 1HB ASP 124 1HB ASP 124 24.834 17.876 5.887 983 2HB ASP 124 2HB ASP 124 26.421 18.639 5.759 984 H ASN 125 H ASN 125 25.612 16.275 7.473 985 HA ASN 125 HA ASN 125 28.282 15.393 8.432 986 1HB ASN 125 1HB ASN 125 27.992 16.997 10.393 987 2HB ASN 125 2HB ASN 125 28.492 17.649 8.843 988 1HD2 ASN 125 1HD2 ASN 125 25.262 17.006 10.404 989 2HD2 ASN 125 2HD2 ASN 125 24.626 18.603 9.986 990 H ASN 126 H ASN 126 27.374 13.226 8.642 991 HA ASN 126 HA ASN 126 26.336 12.904 11.327 992 1HB ASN 126 1HB ASN 126 24.285 13.167 9.837 993 2HB ASN 126 2HB ASN 126 24.715 11.600 9.124 994 1HD2 ASN 126 1HD2 ASN 126 24.917 9.676 10.881 995 2HD2 ASN 126 2HD2 ASN 126 23.828 9.871 12.234 996 H ILE 127 H ILE 127 27.603 11.392 12.105 997 HA ILE 127 HA ILE 127 28.647 9.200 10.365 998 HB ILE 127 HB ILE 127 30.287 10.896 10.446 999 1HG1 ILE 127 1HG1 ILE 127 30.921 8.423 10.674 1000 2HG1 ILE 127 2HG1 ILE 127 32.143 9.671 10.854 1001 1HG2 ILE 127 1HG2 ILE 127 31.412 11.684 12.504 1002 2HG2 ILE 127 2HG2 ILE 127 29.729 12.198 12.401 1003 3HG2 ILE 127 3HG2 ILE 127 30.175 10.863 13.482 1004 1HD1 ILE 127 1HD1 ILE 127 32.206 9.397 13.268 1005 2HD1 ILE 127 2HD1 ILE 127 30.864 8.237 13.223 1006 3HD1 ILE 127 3HD1 ILE 127 32.414 7.830 12.477 1007 H GLN 128 H GLN 128 27.529 10.209 13.569 1008 HA GLN 128 HA GLN 128 27.470 7.378 14.413 1009 1HB GLN 128 1HB GLN 128 29.333 8.395 15.601 1010 2HB GLN 128 2HB GLN 128 28.357 9.808 16.014 1011 1HG GLN 128 1HG GLN 128 28.637 8.406 17.956 1012 2HG GLN 128 2HG GLN 128 26.943 8.436 17.503 1013 1HE2 GLN 128 1HE2 GLN 128 26.149 6.509 16.210 1014 2HE2 GLN 128 2HE2 GLN 128 26.875 4.933 16.580 Start of MODEL 20 1 1H MET 1 H MET 1 4.084 15.739 14.368 2 HA MET 1 HA MET 1 4.867 16.969 12.534 3 1HB MET 1 1HB MET 1 7.165 16.111 12.561 4 2HB MET 1 2HB MET 1 6.610 14.545 11.948 5 1HG MET 1 1HG MET 1 7.568 16.079 10.200 6 2HG MET 1 2HG MET 1 5.945 15.476 9.892 7 1HE MET 1 1HE MET 1 6.964 19.886 10.963 8 2HE MET 1 2HE MET 1 7.654 18.485 11.815 9 3HE MET 1 3HE MET 1 8.102 18.829 10.121 10 H LYS 2 H LYS 2 2.609 16.666 12.556 11 HA LYS 2 HA LYS 2 1.715 14.842 10.453 12 1HB LYS 2 1HB LYS 2 -0.046 13.797 11.645 13 2HB LYS 2 2HB LYS 2 1.417 13.567 12.597 14 1HG LYS 2 1HG LYS 2 0.654 15.556 14.030 15 2HG LYS 2 2HG LYS 2 -0.875 15.501 13.135 16 1HD LYS 2 1HD LYS 2 -1.191 13.141 13.878 17 2HD LYS 2 2HD LYS 2 0.262 13.289 14.883 18 1HE LYS 2 1HE LYS 2 -0.780 15.235 16.058 19 2HE LYS 2 2HE LYS 2 -2.232 15.054 15.053 20 1HZ LYS 2 1HZ LYS 2 -2.476 12.804 16.046 21 2HZ LYS 2 2HZ LYS 2 -1.232 13.157 17.084 22 3HZ LYS 2 3HZ LYS 2 -2.608 14.025 17.130 23 H ALA 3 H ALA 3 0.792 17.432 12.723 24 HA ALA 3 HA ALA 3 -0.968 18.878 12.687 25 1HB ALA 3 1HB ALA 3 0.429 19.676 10.110 26 2HB ALA 3 2HB ALA 3 -0.571 20.698 11.162 27 3HB ALA 3 3HB ALA 3 0.974 20.080 11.755 28 H LEU 4 H LEU 4 -2.538 17.184 12.438 29 HA LEU 4 HA LEU 4 -3.496 15.931 10.218 30 1HB LEU 4 1HB LEU 4 -4.078 15.542 12.578 31 2HB LEU 4 2HB LEU 4 -5.118 16.956 12.591 32 HG LEU 4 HG LEU 4 -6.235 14.727 12.484 33 1HD1 LEU 4 1HD1 LEU 4 -8.013 15.305 11.021 34 2HD1 LEU 4 2HD1 LEU 4 -7.412 16.793 11.769 35 3HD1 LEU 4 3HD1 LEU 4 -6.994 16.413 10.088 36 1HD2 LEU 4 1HD2 LEU 4 -4.633 13.647 10.908 37 2HD2 LEU 4 2HD2 LEU 4 -6.334 13.432 10.480 38 3HD2 LEU 4 3HD2 LEU 4 -5.342 14.609 9.591 39 H GLU 5 H GLU 5 -4.435 19.180 11.311 40 HA GLU 5 HA GLU 5 -5.636 19.696 8.631 41 1HB GLU 5 1HB GLU 5 -6.418 20.676 11.397 42 2HB GLU 5 2HB GLU 5 -6.802 21.609 9.959 43 1HG GLU 5 1HG GLU 5 -7.649 18.718 10.402 44 2HG GLU 5 2HG GLU 5 -8.671 20.114 10.699 45 H HIS 6 H HIS 6 -4.243 20.753 7.520 46 HA HIS 6 HA HIS 6 -3.255 23.258 8.312 47 1HB HIS 6 1HB HIS 6 -1.437 21.520 9.268 48 2HB HIS 6 2HB HIS 6 -0.827 21.602 7.615 49 HD1 HIS 6 HD1 HIS 6 0.411 23.972 6.909 50 HD2 HIS 6 HD2 HIS 6 -1.708 23.911 10.607 51 HE1 HIS 6 HE1 HIS 6 0.807 26.186 8.007 52 HE2 HIS 6 HE2 HIS 6 -0.451 26.196 10.252 53 H GLU 7 H GLU 7 -2.133 20.617 6.115 54 HA GLU 7 HA GLU 7 -3.586 21.865 3.892 55 1HB GLU 7 1HB GLU 7 -0.574 21.417 3.711 56 2HB GLU 7 2HB GLU 7 -1.673 21.720 2.352 57 1HG GLU 7 1HG GLU 7 -2.386 23.822 3.785 58 2HG GLU 7 2HG GLU 7 -0.809 23.609 4.543 59 H LYS 8 H LYS 8 -4.879 19.987 4.480 60 HA LYS 8 HA LYS 8 -3.969 17.309 3.958 61 1HB LYS 8 1HB LYS 8 -6.666 18.691 4.005 62 2HB LYS 8 2HB LYS 8 -6.522 17.038 3.393 63 1HG LYS 8 1HG LYS 8 -5.633 16.219 5.466 64 2HG LYS 8 2HG LYS 8 -5.542 17.863 6.156 65 1HD LYS 8 1HD LYS 8 -7.936 18.105 6.091 66 2HD LYS 8 2HD LYS 8 -8.126 16.627 5.135 67 1HE LYS 8 1HE LYS 8 -7.342 15.251 7.008 68 2HE LYS 8 2HE LYS 8 -7.067 16.714 7.986 69 1HZ LYS 8 1HZ LYS 8 -9.383 17.203 7.859 70 2HZ LYS 8 2HZ LYS 8 -9.678 15.910 6.867 71 3HZ LYS 8 3HZ LYS 8 -9.272 15.653 8.422 72 H THR 9 H THR 9 -5.837 19.555 1.875 73 HA THR 9 HA THR 9 -6.497 19.384 -0.241 74 HB THR 9 HB THR 9 -4.586 19.593 -1.790 75 HG1 THR 9 1HG THR 9 -3.167 18.462 -0.008 76 1HG2 THR 9 1HG2 THR 9 -4.567 21.383 0.682 77 2HG2 THR 9 2HG2 THR 9 -3.895 21.808 -0.898 78 3HG2 THR 9 3HG2 THR 9 -5.630 21.547 -0.736 79 HA PRO 10 HA PRO 10 -6.424 14.790 -0.287 80 1HB PRO 10 1HB PRO 10 -9.015 14.368 -1.157 81 2HB PRO 10 2HB PRO 10 -8.492 14.593 0.535 82 1HG PRO 10 1HG PRO 10 -9.573 16.688 -1.366 83 2HG PRO 10 2HG PRO 10 -10.055 16.380 0.332 84 1HD PRO 10 1HD PRO 10 -8.326 18.345 -0.289 85 2HD PRO 10 2HD PRO 10 -8.036 17.331 1.159 86 H GLU 11 H GLU 11 -6.662 17.049 -2.759 87 HA GLU 11 HA GLU 11 -6.767 15.331 -5.110 88 1HB GLU 11 1HB GLU 11 -6.068 18.275 -4.746 89 2HB GLU 11 2HB GLU 11 -6.437 17.443 -6.280 90 1HG GLU 11 1HG GLU 11 -8.710 16.921 -5.387 91 2HG GLU 11 2HG GLU 11 -8.355 17.858 -3.930 92 H LEU 12 H LEU 12 -4.276 17.502 -3.603 93 HA LEU 12 HA LEU 12 -2.028 16.414 -5.010 94 1HB LEU 12 1HB LEU 12 -1.754 18.519 -3.942 95 2HB LEU 12 2HB LEU 12 -2.382 17.909 -2.410 96 HG LEU 12 HG LEU 12 -0.332 16.500 -2.115 97 1HD1 LEU 12 1HD1 LEU 12 1.692 17.091 -3.442 98 2HD1 LEU 12 2HD1 LEU 12 0.505 16.224 -4.389 99 3HD1 LEU 12 3HD1 LEU 12 0.666 17.984 -4.592 100 1HD2 LEU 12 1HD2 LEU 12 0.184 19.425 -2.545 101 2HD2 LEU 12 2HD2 LEU 12 -0.581 18.671 -1.106 102 3HD2 LEU 12 3HD2 LEU 12 1.104 18.290 -1.509 103 H ALA 13 H ALA 13 -3.700 15.540 -1.979 104 HA ALA 13 HA ALA 13 -1.823 13.627 -1.088 105 1HB ALA 13 1HB ALA 13 -3.945 12.661 0.079 106 2HB ALA 13 2HB ALA 13 -3.838 14.437 0.227 107 3HB ALA 13 3HB ALA 13 -4.884 13.651 -0.982 108 H ALA 14 H ALA 14 -4.097 13.484 -3.742 109 HA ALA 14 HA ALA 14 -3.707 10.584 -4.128 110 1HB ALA 14 1HB ALA 14 -5.224 12.600 -5.822 111 2HB ALA 14 2HB ALA 14 -5.197 10.845 -6.025 112 3HB ALA 14 3HB ALA 14 -5.926 11.549 -4.566 113 H LYS 15 H LYS 15 -2.212 13.739 -5.233 114 HA LYS 15 HA LYS 15 -0.959 12.500 -7.538 115 1HB LYS 15 1HB LYS 15 -0.421 14.963 -5.837 116 2HB LYS 15 2HB LYS 15 0.631 14.510 -7.154 117 1HG LYS 15 1HG LYS 15 -2.368 14.918 -7.557 118 2HG LYS 15 2HG LYS 15 -1.210 16.254 -7.614 119 1HD LYS 15 1HD LYS 15 0.085 15.196 -9.308 120 2HD LYS 15 2HD LYS 15 -0.910 13.747 -9.319 121 1HE LYS 15 1HE LYS 15 -2.152 16.450 -9.873 122 2HE LYS 15 2HE LYS 15 -1.262 15.601 -11.144 123 1HZ LYS 15 1HZ LYS 15 -2.711 13.675 -10.770 124 2HZ LYS 15 2HZ LYS 15 -3.574 14.504 -9.666 125 3HZ LYS 15 3HZ LYS 15 -3.562 14.985 -11.249 126 H LEU 16 H LEU 16 -0.149 13.166 -4.130 127 HA LEU 16 HA LEU 16 2.448 12.051 -4.122 128 1HB LEU 16 1HB LEU 16 1.419 13.578 -2.442 129 2HB LEU 16 2HB LEU 16 0.339 12.301 -1.948 130 HG LEU 16 HG LEU 16 2.132 12.634 -0.375 131 1HD1 LEU 16 1HD1 LEU 16 2.689 9.931 -1.600 132 2HD1 LEU 16 2HD1 LEU 16 2.792 10.431 0.061 133 3HD1 LEU 16 3HD1 LEU 16 1.193 10.324 -0.695 134 1HD2 LEU 16 1HD2 LEU 16 4.439 12.291 -0.820 135 2HD2 LEU 16 2HD2 LEU 16 4.114 11.765 -2.492 136 3HD2 LEU 16 3HD2 LEU 16 3.807 13.438 -1.988 137 H ALA 17 H ALA 17 -0.807 10.531 -3.671 138 HA ALA 17 HA ALA 17 0.071 7.915 -3.146 139 1HB ALA 17 1HB ALA 17 -2.404 8.584 -4.775 140 2HB ALA 17 2HB ALA 17 -2.128 7.193 -3.730 141 3HB ALA 17 3HB ALA 17 -2.328 8.805 -3.017 142 H ALA 18 H ALA 18 -0.280 9.567 -6.302 143 HA ALA 18 HA ALA 18 0.266 7.192 -7.862 144 1HB ALA 18 1HB ALA 18 0.457 8.718 -9.709 145 2HB ALA 18 2HB ALA 18 -0.964 9.169 -8.744 146 3HB ALA 18 3HB ALA 18 0.535 10.125 -8.638 147 H GLU 19 H GLU 19 2.223 9.940 -6.617 148 HA GLU 19 HA GLU 19 4.701 9.053 -7.745 149 1HB GLU 19 1HB GLU 19 3.941 10.914 -5.479 150 2HB GLU 19 2HB GLU 19 5.639 10.573 -5.863 151 1HG GLU 19 1HG GLU 19 5.512 11.514 -8.004 152 2HG GLU 19 2HG GLU 19 3.770 11.323 -8.123 153 H ALA 20 H ALA 20 2.978 8.105 -4.776 154 HA ALA 20 HA ALA 20 5.127 6.481 -3.791 155 1HB ALA 20 1HB ALA 20 2.127 6.192 -3.286 156 2HB ALA 20 2HB ALA 20 3.433 5.466 -2.333 157 3HB ALA 20 3HB ALA 20 3.248 7.239 -2.382 158 H ILE 21 H ILE 21 2.376 5.800 -5.988 159 HA ILE 21 HA ILE 21 2.933 3.017 -6.383 160 HB ILE 21 HB ILE 21 1.409 5.259 -7.731 161 1HG1 ILE 21 1HG1 ILE 21 0.637 2.450 -6.984 162 2HG1 ILE 21 2HG1 ILE 21 0.533 3.832 -5.903 163 1HG2 ILE 21 1HG2 ILE 21 2.019 2.721 -9.250 164 2HG2 ILE 21 2HG2 ILE 21 0.732 3.873 -9.667 165 3HG2 ILE 21 3HG2 ILE 21 2.411 4.380 -9.724 166 1HD1 ILE 21 1HD1 ILE 21 -1.075 3.414 -8.450 167 2HD1 ILE 21 2HD1 ILE 21 -1.656 3.422 -6.781 168 3HD1 ILE 21 3HD1 ILE 21 -1.060 4.927 -7.508 169 H GLU 22 H GLU 22 4.310 5.999 -7.836 170 HA GLU 22 HA GLU 22 5.901 4.626 -9.740 171 1HB GLU 22 1HB GLU 22 5.407 6.968 -9.901 172 2HB GLU 22 2HB GLU 22 6.311 7.329 -8.430 173 1HG GLU 22 1HG GLU 22 8.400 6.844 -9.439 174 2HG GLU 22 2HG GLU 22 7.644 5.992 -10.791 175 H ARG 23 H ARG 23 6.267 4.724 -6.272 176 HA ARG 23 HA ARG 23 9.068 3.733 -6.523 177 1HB ARG 23 1HB ARG 23 8.566 5.556 -4.803 178 2HB ARG 23 2HB ARG 23 7.596 4.372 -3.931 179 1HG ARG 23 1HG ARG 23 9.515 2.907 -3.642 180 2HG ARG 23 2HG ARG 23 10.487 3.865 -4.774 181 1HD ARG 23 1HD ARG 23 10.446 5.776 -3.228 182 2HD ARG 23 2HD ARG 23 9.477 4.834 -2.081 183 HE ARG 23 HE ARG 23 11.295 3.274 -1.815 184 1HH1 ARG 23 2HH2 ARG 23 12.361 6.226 -3.581 185 2HH1 ARG 23 1HH2 ARG 23 14.010 5.975 -3.165 186 1HH2 ARG 23 2HH1 ARG 23 13.391 2.843 -1.579 187 2HH2 ARG 23 1HH1 ARG 23 14.649 3.933 -2.117 188 H ASP 24 H ASP 24 5.972 2.852 -4.880 189 HA ASP 24 HA ASP 24 6.988 0.291 -4.065 190 1HB ASP 24 1HB ASP 24 5.237 1.512 -2.802 191 2HB ASP 24 2HB ASP 24 4.141 1.315 -4.128 192 HA PRO 25 HA PRO 25 5.973 -1.405 -8.129 193 1HB PRO 25 1HB PRO 25 6.785 -4.024 -7.719 194 2HB PRO 25 2HB PRO 25 7.904 -2.684 -8.115 195 1HG PRO 25 1HG PRO 25 7.245 -3.833 -5.389 196 2HG PRO 25 2HG PRO 25 8.856 -3.434 -6.065 197 1HD PRO 25 1HD PRO 25 7.539 -1.752 -4.388 198 2HD PRO 25 2HD PRO 25 8.520 -1.129 -5.735 199 H TRP 26 H TRP 26 4.980 -2.675 -4.933 200 HA TRP 26 HA TRP 26 2.973 -4.441 -6.055 201 1HB TRP 26 1HB TRP 26 3.966 -4.923 -3.901 202 2HB TRP 26 2HB TRP 26 3.460 -3.364 -3.264 203 HD1 TRP 26 HD TRP 26 1.718 -3.709 -1.612 204 HE1 TRP 26 1HE TRP 26 -0.466 -5.041 -1.320 205 HE3 TRP 26 3HE TRP 26 1.874 -6.363 -5.977 206 HZ2 TRP 26 2HZ TRP 26 -1.787 -7.238 -2.742 207 HZ3 TRP 26 3HZ TRP 26 0.321 -8.228 -6.366 208 HH2 TRP 26 HH TRP 26 -1.565 -8.631 -4.808 209 H ALA 27 H ALA 27 2.870 -1.153 -4.517 210 HA ALA 27 HA ALA 27 0.120 -0.758 -4.768 211 1HB ALA 27 1HB ALA 27 1.728 0.859 -3.656 212 2HB ALA 27 2HB ALA 27 2.235 1.369 -5.267 213 3HB ALA 27 3HB ALA 27 0.560 1.629 -4.733 214 H ALA 28 H ALA 28 2.698 -0.264 -7.222 215 HA ALA 28 HA ALA 28 0.981 0.818 -9.221 216 1HB ALA 28 1HB ALA 28 2.829 0.359 -10.758 217 2HB ALA 28 2HB ALA 28 3.513 0.924 -9.224 218 3HB ALA 28 3HB ALA 28 3.557 -0.797 -9.626 219 H GLN 29 H GLN 29 2.087 -2.509 -8.490 220 HA GLN 29 HA GLN 29 0.859 -3.836 -10.679 221 1HB GLN 29 1HB GLN 29 1.692 -4.709 -7.893 222 2HB GLN 29 2HB GLN 29 0.923 -5.834 -9.001 223 1HG GLN 29 1HG GLN 29 2.659 -5.564 -10.646 224 2HG GLN 29 2HG GLN 29 3.390 -4.240 -9.785 225 1HE2 GLN 29 1HE2 GLN 29 4.429 -6.926 -10.652 226 2HE2 GLN 29 2HE2 GLN 29 5.045 -7.693 -9.187 227 H VAL 30 H VAL 30 -0.400 -3.201 -7.352 228 HA VAL 30 HA VAL 30 -2.816 -4.631 -7.854 229 HB VAL 30 HB VAL 30 -2.114 -2.375 -5.887 230 1HG1 VAL 30 1HG1 VAL 30 -4.644 -4.069 -5.862 231 2HG1 VAL 30 2HG1 VAL 30 -4.077 -3.084 -4.494 232 3HG1 VAL 30 3HG1 VAL 30 -4.548 -2.305 -6.007 233 1HG2 VAL 30 1HG2 VAL 30 -1.858 -4.087 -4.251 234 2HG2 VAL 30 2HG2 VAL 30 -2.507 -5.336 -5.359 235 3HG2 VAL 30 3HG2 VAL 30 -0.937 -4.585 -5.666 236 H SER 31 H SER 31 -1.977 -1.245 -8.435 237 HA SER 31 HA SER 31 -4.634 -0.427 -9.189 238 1HB SER 31 1HB SER 31 -1.790 0.554 -9.585 239 2HB SER 31 2HB SER 31 -3.150 1.354 -10.388 240 HG SER 31 HG SER 31 -2.948 0.885 -7.566 241 H GLN 32 H GLN 32 -1.965 -2.081 -10.899 242 HA GLN 32 HA GLN 32 -3.116 -1.725 -13.534 243 1HB GLN 32 1HB GLN 32 -0.705 -2.118 -13.135 244 2HB GLN 32 2HB GLN 32 -1.053 -3.700 -12.452 245 1HG GLN 32 1HG GLN 32 -1.921 -4.509 -14.585 246 2HG GLN 32 2HG GLN 32 -1.700 -2.897 -15.298 247 1HE2 GLN 32 1HE2 GLN 32 0.199 -5.397 -13.493 248 2HE2 GLN 32 2HE2 GLN 32 1.725 -5.018 -14.269 249 H LEU 33 H LEU 33 -3.298 -4.153 -10.973 250 HA LEU 33 HA LEU 33 -4.906 -6.088 -12.472 251 1HB LEU 33 1HB LEU 33 -4.543 -5.624 -9.473 252 2HB LEU 33 2HB LEU 33 -5.351 -7.021 -10.199 253 HG LEU 33 HG LEU 33 -2.407 -6.329 -10.377 254 1HD1 LEU 33 1HD1 LEU 33 -3.792 -8.667 -9.047 255 2HD1 LEU 33 2HD1 LEU 33 -2.051 -8.393 -9.155 256 3HD1 LEU 33 3HD1 LEU 33 -3.056 -7.274 -8.224 257 1HD2 LEU 33 1HD2 LEU 33 -2.328 -8.563 -11.607 258 2HD2 LEU 33 2HD2 LEU 33 -4.087 -8.466 -11.743 259 3HD2 LEU 33 3HD2 LEU 33 -3.048 -7.239 -12.502 260 H SER 34 H SER 34 -5.459 -3.352 -10.505 261 HA SER 34 HA SER 34 -7.272 -2.172 -9.765 262 1HB SER 34 1HB SER 34 -8.428 -3.206 -12.378 263 2HB SER 34 2HB SER 34 -9.252 -2.038 -11.336 264 HG SER 34 HG SER 34 -6.556 -1.560 -12.110 265 H LEU 35 H LEU 35 -7.028 -3.910 -8.111 266 HA LEU 35 HA LEU 35 -8.963 -6.037 -7.945 267 1HB LEU 35 1HB LEU 35 -7.171 -4.624 -5.970 268 2HB LEU 35 2HB LEU 35 -8.536 -5.544 -5.350 269 HG LEU 35 HG LEU 35 -7.793 -7.603 -6.258 270 1HD1 LEU 35 1HD1 LEU 35 -5.540 -6.057 -7.577 271 2HD1 LEU 35 2HD1 LEU 35 -5.658 -7.833 -7.501 272 3HD1 LEU 35 3HD1 LEU 35 -6.862 -6.923 -8.412 273 1HD2 LEU 35 1HD2 LEU 35 -5.382 -6.129 -5.103 274 2HD2 LEU 35 2HD2 LEU 35 -6.700 -6.832 -4.153 275 3HD2 LEU 35 3HD2 LEU 35 -5.643 -7.881 -5.107 276 HA PRO 36 HA PRO 36 -12.589 -3.788 -7.346 277 1HB PRO 36 1HB PRO 36 -14.216 -5.454 -5.913 278 2HB PRO 36 2HB PRO 36 -13.639 -5.812 -7.554 279 1HG PRO 36 1HG PRO 36 -12.359 -6.753 -4.958 280 2HG PRO 36 2HG PRO 36 -12.889 -7.759 -6.338 281 1HD PRO 36 1HD PRO 36 -10.327 -6.953 -6.185 282 2HD PRO 36 2HD PRO 36 -11.173 -6.849 -7.749 283 H LYS 37 H LYS 37 -13.131 -5.085 -4.060 284 HA LYS 37 HA LYS 37 -12.314 -2.443 -2.961 285 1HB LYS 37 1HB LYS 37 -14.829 -2.728 -3.789 286 2HB LYS 37 2HB LYS 37 -15.019 -3.610 -2.286 287 1HG LYS 37 1HG LYS 37 -15.501 -1.558 -1.477 288 2HG LYS 37 2HG LYS 37 -13.754 -1.400 -1.319 289 1HD LYS 37 1HD LYS 37 -15.552 -0.340 -3.544 290 2HD LYS 37 2HD LYS 37 -14.700 0.584 -2.314 291 1HE LYS 37 1HE LYS 37 -12.526 -0.389 -3.393 292 2HE LYS 37 2HE LYS 37 -13.581 -0.831 -4.745 293 1HZ LYS 37 1HZ LYS 37 -12.608 1.280 -5.172 294 2HZ LYS 37 2HZ LYS 37 -14.194 1.589 -4.824 295 3HZ LYS 37 3HZ LYS 37 -13.031 1.860 -3.702 296 H LEU 38 H LEU 38 -13.904 -5.490 -1.896 297 HA LEU 38 HA LEU 38 -12.677 -5.521 0.704 298 1HB LEU 38 1HB LEU 38 -14.702 -6.705 0.277 299 2HB LEU 38 2HB LEU 38 -14.038 -7.576 -1.083 300 HG LEU 38 HG LEU 38 -14.479 -8.821 1.040 301 1HD1 LEU 38 1HD1 LEU 38 -12.790 -10.405 0.726 302 2HD1 LEU 38 2HD1 LEU 38 -13.080 -9.683 -0.854 303 3HD1 LEU 38 3HD1 LEU 38 -11.638 -9.220 0.091 304 1HD2 LEU 38 1HD2 LEU 38 -13.413 -7.189 2.619 305 2HD2 LEU 38 2HD2 LEU 38 -12.922 -8.876 2.844 306 3HD2 LEU 38 3HD2 LEU 38 -11.829 -7.748 2.036 307 H VAL 39 H VAL 39 -11.957 -7.292 -2.317 308 HA VAL 39 HA VAL 39 -9.576 -8.504 -1.336 309 HB VAL 39 HB VAL 39 -10.310 -7.874 -4.223 310 1HG1 VAL 39 1HG1 VAL 39 -9.062 -9.927 -4.769 311 2HG1 VAL 39 2HG1 VAL 39 -8.028 -8.763 -3.937 312 3HG1 VAL 39 3HG1 VAL 39 -8.670 -10.158 -3.048 313 1HG2 VAL 39 1HG2 VAL 39 -12.243 -9.011 -3.178 314 2HG2 VAL 39 2HG2 VAL 39 -11.415 -10.075 -4.299 315 3HG2 VAL 39 3HG2 VAL 39 -11.157 -10.273 -2.552 316 H GLU 40 H GLU 40 -10.217 -5.401 -2.980 317 HA GLU 40 HA GLU 40 -7.482 -4.625 -3.336 318 1HB GLU 40 1HB GLU 40 -9.377 -3.459 -4.454 319 2HB GLU 40 2HB GLU 40 -9.944 -2.882 -2.892 320 1HG GLU 40 1HG GLU 40 -7.800 -1.675 -2.556 321 2HG GLU 40 2HG GLU 40 -7.243 -2.234 -4.135 322 H GLN 41 H GLN 41 -9.793 -4.236 -0.538 323 HA GLN 41 HA GLN 41 -7.998 -2.620 0.921 324 1HB GLN 41 1HB GLN 41 -10.586 -3.188 1.344 325 2HB GLN 41 2HB GLN 41 -9.898 -4.422 2.406 326 1HG GLN 41 1HG GLN 41 -8.432 -2.512 3.348 327 2HG GLN 41 2HG GLN 41 -9.471 -1.404 2.466 328 1HE2 GLN 41 1HE2 GLN 41 -12.114 -2.526 3.057 329 2HE2 GLN 41 2HE2 GLN 41 -12.282 -2.492 4.799 330 H VAL 42 H VAL 42 -8.227 -6.147 0.612 331 HA VAL 42 HA VAL 42 -6.366 -6.811 2.711 332 HB VAL 42 HB VAL 42 -7.291 -8.256 0.188 333 1HG1 VAL 42 1HG1 VAL 42 -6.303 -10.317 1.074 334 2HG1 VAL 42 2HG1 VAL 42 -5.031 -9.141 0.707 335 3HG1 VAL 42 3HG1 VAL 42 -5.534 -9.415 2.387 336 1HG2 VAL 42 1HG2 VAL 42 -8.469 -9.631 1.869 337 2HG2 VAL 42 2HG2 VAL 42 -7.744 -8.673 3.149 338 3HG2 VAL 42 3HG2 VAL 42 -8.925 -7.929 2.035 339 H ALA 43 H ALA 43 -5.945 -6.355 -0.852 340 HA ALA 43 HA ALA 43 -3.130 -6.611 -0.831 341 1HB ALA 43 1HB ALA 43 -3.265 -5.393 -2.996 342 2HB ALA 43 2HB ALA 43 -4.439 -6.715 -2.873 343 3HB ALA 43 3HB ALA 43 -4.964 -5.021 -2.676 344 H LEU 44 H LEU 44 -5.175 -3.817 -0.121 345 HA LEU 44 HA LEU 44 -3.029 -1.917 0.022 346 1HB LEU 44 1HB LEU 44 -5.855 -1.854 1.091 347 2HB LEU 44 2HB LEU 44 -4.742 -0.510 1.273 348 HG LEU 44 HG LEU 44 -5.582 -1.629 -1.436 349 1HD1 LEU 44 1HD1 LEU 44 -7.494 -0.647 -0.229 350 2HD1 LEU 44 2HD1 LEU 44 -6.553 0.835 0.060 351 3HD1 LEU 44 3HD1 LEU 44 -7.007 0.364 -1.589 352 1HD2 LEU 44 1HD2 LEU 44 -3.988 0.841 -0.669 353 2HD2 LEU 44 2HD2 LEU 44 -3.497 -0.522 -1.715 354 3HD2 LEU 44 3HD2 LEU 44 -4.736 0.590 -2.259 355 H ASN 45 H ASN 45 -4.358 -4.214 2.357 356 HA ASN 45 HA ASN 45 -2.894 -2.813 4.534 357 1HB ASN 45 1HB ASN 45 -5.241 -4.710 4.536 358 2HB ASN 45 2HB ASN 45 -4.248 -4.501 5.979 359 1HD2 ASN 45 1HD2 ASN 45 -6.379 -2.871 3.759 360 2HD2 ASN 45 2HD2 ASN 45 -6.592 -1.381 4.672 361 H ALA 46 H ALA 46 -2.003 -4.987 2.324 362 HA ALA 46 HA ALA 46 -0.148 -6.245 4.216 363 1HB ALA 46 1HB ALA 46 -1.631 -8.069 3.525 364 2HB ALA 46 2HB ALA 46 -1.639 -7.493 1.859 365 3HB ALA 46 3HB ALA 46 -0.168 -8.213 2.555 366 H TRP 47 H TRP 47 1.860 -6.760 3.288 367 HA TRP 47 HA TRP 47 2.560 -5.109 0.896 368 1HB TRP 47 1HB TRP 47 4.823 -5.035 1.694 369 2HB TRP 47 2HB TRP 47 3.747 -4.313 2.874 370 HD1 TRP 47 HD TRP 47 3.548 -5.386 5.230 371 HE1 TRP 47 1HE TRP 47 4.996 -7.036 6.493 372 HE3 TRP 47 3HE TRP 47 6.181 -7.339 1.276 373 HZ2 TRP 47 2HZ TRP 47 7.254 -8.832 5.886 374 HZ3 TRP 47 3HZ TRP 47 7.975 -9.014 1.690 375 HH2 TRP 47 HH TRP 47 8.476 -9.767 3.972 376 H LYS 48 H LYS 48 3.746 -6.204 -0.668 377 HA LYS 48 HA LYS 48 3.102 -9.075 -0.678 378 1HB LYS 48 1HB LYS 48 2.239 -7.513 -2.406 379 2HB LYS 48 2HB LYS 48 3.863 -6.970 -2.758 380 1HG LYS 48 1HG LYS 48 4.093 -9.656 -3.295 381 2HG LYS 48 2HG LYS 48 2.390 -9.365 -3.654 382 1HD LYS 48 1HD LYS 48 3.104 -8.734 -5.693 383 2HD LYS 48 2HD LYS 48 3.599 -7.221 -4.948 384 1HE LYS 48 1HE LYS 48 5.367 -9.642 -5.375 385 2HE LYS 48 2HE LYS 48 5.318 -8.198 -6.385 386 1HZ LYS 48 1HZ LYS 48 6.180 -8.255 -3.547 387 2HZ LYS 48 2HZ LYS 48 7.132 -8.055 -4.875 388 3HZ LYS 48 3HZ LYS 48 6.062 -6.901 -4.456 389 H GLU 49 H GLU 49 4.680 -10.507 -0.224 390 HA GLU 49 HA GLU 49 7.514 -9.823 -0.728 391 1HB GLU 49 1HB GLU 49 6.802 -10.947 1.451 392 2HB GLU 49 2HB GLU 49 6.224 -12.312 0.518 393 1HG GLU 49 1HG GLU 49 8.479 -12.637 1.565 394 2HG GLU 49 2HG GLU 49 8.452 -12.900 -0.177 395 H GLU 50 H GLU 50 8.672 -11.417 -2.222 396 HA GLU 50 HA GLU 50 6.872 -12.976 -4.004 397 1HB GLU 50 1HB GLU 50 7.022 -10.847 -5.132 398 2HB GLU 50 2HB GLU 50 8.760 -10.759 -4.853 399 1HG GLU 50 1HG GLU 50 9.048 -12.790 -6.315 400 2HG GLU 50 2HG GLU 50 7.314 -12.764 -6.651 401 H SER 51 H SER 51 7.797 -14.906 -4.578 402 HA SER 51 HA SER 51 10.644 -15.386 -4.134 403 1HB SER 51 1HB SER 51 8.383 -17.147 -3.113 404 2HB SER 51 2HB SER 51 10.122 -17.416 -2.923 405 HG SER 51 HG SER 51 10.064 -15.263 -1.802 406 H ASP 52 H ASP 52 10.942 -17.738 -5.105 407 HA ASP 52 HA ASP 52 11.096 -17.750 -7.664 408 1HB ASP 52 1HB ASP 52 10.222 -20.156 -6.047 409 2HB ASP 52 2HB ASP 52 10.756 -20.268 -7.726 410 H ASN 53 H ASN 53 8.082 -19.262 -6.358 411 HA ASN 53 HA ASN 53 6.561 -18.259 -8.691 412 1HB ASN 53 1HB ASN 53 6.687 -21.111 -7.628 413 2HB ASN 53 2HB ASN 53 5.395 -20.521 -8.649 414 1HD2 ASN 53 1HD2 ASN 53 5.727 -20.495 -10.942 415 2HD2 ASN 53 2HD2 ASN 53 7.308 -20.803 -11.634 416 H ALA 54 H ALA 54 6.819 -17.422 -5.682 417 HA ALA 54 HA ALA 54 4.005 -17.924 -4.913 418 1HB ALA 54 1HB ALA 54 4.696 -18.135 -2.568 419 2HB ALA 54 2HB ALA 54 5.416 -19.445 -3.523 420 3HB ALA 54 3HB ALA 54 6.402 -18.049 -3.034 421 H VAL 55 H VAL 55 3.094 -16.133 -3.949 422 HA VAL 55 HA VAL 55 4.823 -13.746 -3.572 423 HB VAL 55 HB VAL 55 2.259 -13.715 -5.211 424 1HG1 VAL 55 1HG1 VAL 55 2.711 -11.337 -5.539 425 2HG1 VAL 55 2HG1 VAL 55 2.567 -11.692 -3.817 426 3HG1 VAL 55 3HG1 VAL 55 4.173 -11.464 -4.563 427 1HG2 VAL 55 1HG2 VAL 55 3.692 -12.952 -7.091 428 2HG2 VAL 55 2HG2 VAL 55 5.132 -13.158 -6.081 429 3HG2 VAL 55 3HG2 VAL 55 4.179 -14.561 -6.577 430 H CYS 56 H CYS 56 4.618 -13.758 -1.393 431 HA CYS 56 HA CYS 56 2.024 -14.581 -0.226 432 1HB CYS 56 1HB CYS 56 4.733 -14.136 1.071 433 2HB CYS 56 2HB CYS 56 3.275 -14.750 1.883 434 HG CYS 56 HG CYS 56 4.643 -16.849 1.524 435 H LEU 57 H LEU 57 0.721 -13.192 0.821 436 HA LEU 57 HA LEU 57 1.522 -10.331 0.834 437 1HB LEU 57 1HB LEU 57 -1.070 -11.739 0.397 438 2HB LEU 57 2HB LEU 57 -1.162 -10.202 1.260 439 HG LEU 57 HG LEU 57 0.433 -10.498 -1.320 440 1HD1 LEU 57 1HD1 LEU 57 -1.393 -9.549 -2.554 441 2HD1 LEU 57 2HD1 LEU 57 -1.977 -10.999 -1.781 442 3HD1 LEU 57 3HD1 LEU 57 -2.404 -9.426 -1.087 443 1HD2 LEU 57 1HD2 LEU 57 -0.868 -8.023 -0.115 444 2HD2 LEU 57 2HD2 LEU 57 0.776 -8.496 0.298 445 3HD2 LEU 57 3HD2 LEU 57 0.374 -8.128 -1.373 446 H HIS 58 H HIS 58 2.361 -9.681 2.572 447 HA HIS 58 HA HIS 58 1.736 -10.988 5.185 448 1HB HIS 58 1HB HIS 58 3.753 -8.904 4.329 449 2HB HIS 58 2HB HIS 58 3.615 -9.501 5.981 450 HD1 HIS 58 HD1 HIS 58 5.901 -10.927 6.291 451 HD2 HIS 58 HD2 HIS 58 3.976 -11.426 2.543 452 HE1 HIS 58 HE1 HIS 58 7.196 -12.646 5.008 453 HE2 HIS 58 HE2 HIS 58 6.026 -13.099 2.834 454 H LEU 59 H LEU 59 -0.246 -10.272 5.894 455 HA LEU 59 HA LEU 59 -1.055 -7.439 5.634 456 1HB LEU 59 1HB LEU 59 -2.537 -9.563 5.133 457 2HB LEU 59 2HB LEU 59 -2.618 -9.726 6.871 458 HG LEU 59 HG LEU 59 -3.309 -7.006 6.413 459 1HD1 LEU 59 1HD1 LEU 59 -3.646 -7.402 4.009 460 2HD1 LEU 59 2HD1 LEU 59 -4.678 -8.799 4.365 461 3HD1 LEU 59 3HD1 LEU 59 -5.201 -7.160 4.798 462 1HD2 LEU 59 1HD2 LEU 59 -5.294 -9.272 6.687 463 2HD2 LEU 59 2HD2 LEU 59 -4.359 -8.591 8.033 464 3HD2 LEU 59 3HD2 LEU 59 -5.516 -7.592 7.122 465 H ARG 60 H ARG 60 -1.843 -6.259 7.616 466 HA ARG 60 HA ARG 60 -0.097 -6.708 9.863 467 1HB ARG 60 1HB ARG 60 -2.443 -4.859 9.296 468 2HB ARG 60 2HB ARG 60 -1.920 -5.063 10.952 469 1HG ARG 60 1HG ARG 60 -0.871 -3.121 9.996 470 2HG ARG 60 2HG ARG 60 0.270 -4.337 10.509 471 1HD ARG 60 1HD ARG 60 1.173 -3.604 8.499 472 2HD ARG 60 2HD ARG 60 0.408 -5.097 8.044 473 HE ARG 60 HE ARG 60 -1.230 -3.932 6.834 474 1HH1 ARG 60 2HH2 ARG 60 0.917 -1.736 8.602 475 2HH1 ARG 60 1HH2 ARG 60 0.105 -0.299 8.076 476 1HH2 ARG 60 2HH1 ARG 60 -2.468 -1.851 6.326 477 2HH2 ARG 60 1HH1 ARG 60 -1.483 -0.424 6.370 478 H SER 61 H SER 61 -0.411 -7.837 11.739 479 HA SER 61 HA SER 61 -2.562 -9.587 12.131 480 1HB SER 61 1HB SER 61 -1.009 -8.284 14.393 481 2HB SER 61 2HB SER 61 -1.573 -9.957 14.267 482 HG SER 61 HG SER 61 0.713 -9.585 13.937 483 H SER 62 H SER 62 -2.246 -6.117 12.817 484 HA SER 62 HA SER 62 -4.400 -5.927 14.687 485 1HB SER 62 1HB SER 62 -3.199 -3.816 12.840 486 2HB SER 62 2HB SER 62 -4.168 -3.517 14.299 487 HG SER 62 HG SER 62 -1.506 -4.143 14.024 488 H GLN 63 H GLN 63 -4.176 -5.581 11.142 489 HA GLN 63 HA GLN 63 -7.049 -4.863 10.932 490 1HB GLN 63 1HB GLN 63 -4.626 -4.482 9.157 491 2HB GLN 63 2HB GLN 63 -6.241 -4.435 8.476 492 1HG GLN 63 1HG GLN 63 -5.403 -2.186 8.986 493 2HG GLN 63 2HG GLN 63 -6.908 -2.571 9.807 494 1HE2 GLN 63 1HE2 GLN 63 -3.555 -1.534 10.296 495 2HE2 GLN 63 2HE2 GLN 63 -3.654 -1.543 12.042 496 H ARG 64 H ARG 64 -5.774 -7.617 11.496 497 HA ARG 64 HA ARG 64 -5.940 -9.285 9.295 498 1HB ARG 64 1HB ARG 64 -6.137 -11.129 10.820 499 2HB ARG 64 2HB ARG 64 -5.003 -9.949 11.475 500 1HG ARG 64 1HG ARG 64 -6.733 -9.116 13.032 501 2HG ARG 64 2HG ARG 64 -7.942 -10.183 12.307 502 1HD ARG 64 1HD ARG 64 -7.292 -11.206 14.299 503 2HD ARG 64 2HD ARG 64 -6.600 -12.149 13.014 504 HE ARG 64 HE ARG 64 -5.031 -10.047 14.465 505 1HH1 ARG 64 2HH2 ARG 64 -5.146 -13.326 13.146 506 2HH1 ARG 64 1HH2 ARG 64 -3.794 -13.917 14.043 507 1HH2 ARG 64 2HH1 ARG 64 -3.364 -10.847 15.832 508 2HH2 ARG 64 1HH1 ARG 64 -2.707 -12.447 15.548 509 H HIS 65 H HIS 65 -8.681 -7.867 10.947 510 HA HIS 65 HA HIS 65 -10.788 -9.517 10.328 511 1HB HIS 65 1HB HIS 65 -10.950 -7.298 11.432 512 2HB HIS 65 2HB HIS 65 -10.669 -6.496 9.884 513 HD1 HIS 65 HD1 HIS 65 -12.925 -6.251 8.264 514 HD2 HIS 65 HD2 HIS 65 -13.300 -8.666 11.748 515 HE1 HIS 65 HE1 HIS 65 -15.341 -6.912 8.441 516 HE2 HIS 65 HE2 HIS 65 -15.600 -8.362 10.570 517 H LEU 66 H LEU 66 -8.778 -7.829 7.918 518 HA LEU 66 HA LEU 66 -10.781 -8.367 5.814 519 1HB LEU 66 1HB LEU 66 -8.160 -6.854 5.950 520 2HB LEU 66 2HB LEU 66 -8.838 -7.319 4.408 521 HG LEU 66 HG LEU 66 -9.394 -5.028 4.968 522 1HD1 LEU 66 1HD1 LEU 66 -10.848 -6.303 3.471 523 2HD1 LEU 66 2HD1 LEU 66 -11.863 -6.810 4.837 524 3HD1 LEU 66 3HD1 LEU 66 -11.765 -5.109 4.394 525 1HD2 LEU 66 1HD2 LEU 66 -9.633 -5.319 7.457 526 2HD2 LEU 66 2HD2 LEU 66 -10.956 -4.418 6.698 527 3HD2 LEU 66 3HD2 LEU 66 -11.202 -6.108 7.163 528 H ASN 67 H ASN 67 -8.006 -10.031 7.143 529 HA ASN 67 HA ASN 67 -7.365 -11.443 4.654 530 1HB ASN 67 1HB ASN 67 -5.529 -11.226 6.142 531 2HB ASN 67 2HB ASN 67 -6.455 -11.863 7.516 532 1HD2 ASN 67 1HD2 ASN 67 -4.746 -13.418 7.845 533 2HD2 ASN 67 2HD2 ASN 67 -4.435 -14.737 6.774 534 H ASN 68 H ASN 68 -9.126 -12.467 3.917 535 HA ASN 68 HA ASN 68 -9.964 -14.838 5.492 536 1HB ASN 68 1HB ASN 68 -12.246 -14.634 5.097 537 2HB ASN 68 2HB ASN 68 -11.729 -13.078 5.689 538 1HD2 ASN 68 1HD2 ASN 68 -12.611 -11.388 4.564 539 2HD2 ASN 68 2HD2 ASN 68 -13.304 -11.502 2.955 540 H ARG 69 H ARG 69 -10.945 -16.548 4.208 541 HA ARG 69 HA ARG 69 -9.176 -17.375 2.167 542 1HB ARG 69 1HB ARG 69 -11.898 -18.319 3.164 543 2HB ARG 69 2HB ARG 69 -11.183 -19.093 1.767 544 1HG ARG 69 1HG ARG 69 -9.768 -18.930 4.470 545 2HG ARG 69 2HG ARG 69 -10.803 -20.267 3.944 546 1HD ARG 69 1HD ARG 69 -9.286 -20.272 1.820 547 2HD ARG 69 2HD ARG 69 -8.125 -19.414 2.827 548 HE ARG 69 HE ARG 69 -8.720 -21.544 4.396 549 1HH1 ARG 69 2HH2 ARG 69 -7.891 -21.411 0.949 550 2HH1 ARG 69 1HH2 ARG 69 -7.266 -23.019 0.861 551 1HH2 ARG 69 2HH1 ARG 69 -7.621 -23.574 4.373 552 2HH2 ARG 69 1HH1 ARG 69 -6.967 -24.194 2.896 553 H GLY 70 H GLY 70 -12.505 -16.013 1.845 554 1HA GLY 70 1HA GLY 70 -12.690 -16.434 -0.967 555 2HA GLY 70 2HA GLY 70 -13.643 -15.295 0.007 556 H ALA 71 H ALA 71 -11.342 -13.744 1.051 557 HA ALA 71 HA ALA 71 -10.911 -12.011 -1.190 558 1HB ALA 71 1HB ALA 71 -10.821 -11.319 1.271 559 2HB ALA 71 2HB ALA 71 -9.262 -12.135 1.374 560 3HB ALA 71 3HB ALA 71 -9.464 -10.772 0.260 561 H GLN 72 H GLN 72 -8.836 -14.412 0.494 562 HA GLN 72 HA GLN 72 -6.498 -14.043 -0.986 563 1HB GLN 72 1HB GLN 72 -6.680 -15.436 1.101 564 2HB GLN 72 2HB GLN 72 -7.645 -16.607 0.226 565 1HG GLN 72 1HG GLN 72 -5.736 -17.112 -1.284 566 2HG GLN 72 2HG GLN 72 -4.739 -15.962 -0.395 567 1HE2 GLN 72 1HE2 GLN 72 -3.306 -17.899 -0.059 568 2HE2 GLN 72 2HE2 GLN 72 -3.720 -19.045 1.201 569 H GLN 73 H GLN 73 -9.244 -16.272 -1.700 570 HA GLN 73 HA GLN 73 -8.041 -17.544 -3.929 571 1HB GLN 73 1HB GLN 73 -10.920 -17.002 -3.073 572 2HB GLN 73 2HB GLN 73 -10.505 -17.949 -4.495 573 1HG GLN 73 1HG GLN 73 -9.435 -18.669 -1.761 574 2HG GLN 73 2HG GLN 73 -11.001 -19.232 -2.348 575 1HE2 GLN 73 1HE2 GLN 73 -11.038 -20.516 -4.389 576 2HE2 GLN 73 2HE2 GLN 73 -9.619 -21.439 -4.856 577 H LYS 74 H LYS 74 -10.269 -14.695 -3.749 578 HA LYS 74 HA LYS 74 -10.205 -14.381 -6.595 579 1HB LYS 74 1HB LYS 74 -12.016 -13.575 -5.001 580 2HB LYS 74 2HB LYS 74 -10.917 -12.295 -4.490 581 1HG LYS 74 1HG LYS 74 -12.547 -11.488 -6.136 582 2HG LYS 74 2HG LYS 74 -10.917 -11.378 -6.803 583 1HD LYS 74 1HD LYS 74 -11.282 -13.395 -8.154 584 2HD LYS 74 2HD LYS 74 -12.845 -13.685 -7.354 585 1HE LYS 74 1HE LYS 74 -13.759 -11.658 -8.297 586 2HE LYS 74 2HE LYS 74 -12.170 -11.208 -8.954 587 1HZ LYS 74 1HZ LYS 74 -13.601 -12.157 -10.644 588 2HZ LYS 74 2HZ LYS 74 -12.273 -13.099 -10.417 589 3HZ LYS 74 3HZ LYS 74 -13.729 -13.579 -9.836 590 H LEU 75 H LEU 75 -8.170 -13.090 -3.974 591 HA LEU 75 HA LEU 75 -6.742 -11.187 -5.566 592 1HB LEU 75 1HB LEU 75 -6.830 -11.839 -2.900 593 2HB LEU 75 2HB LEU 75 -5.421 -12.667 -3.308 594 HG LEU 75 HG LEU 75 -6.011 -9.716 -3.713 595 1HD1 LEU 75 1HD1 LEU 75 -5.930 -10.373 -1.380 596 2HD1 LEU 75 2HD1 LEU 75 -4.327 -11.086 -1.604 597 3HD1 LEU 75 3HD1 LEU 75 -4.572 -9.326 -1.788 598 1HD2 LEU 75 1HD2 LEU 75 -4.308 -10.369 -5.356 599 2HD2 LEU 75 2HD2 LEU 75 -3.694 -9.261 -4.126 600 3HD2 LEU 75 3HD2 LEU 75 -3.290 -10.978 -4.036 601 H ALA 76 H ALA 76 -6.344 -14.695 -4.915 602 HA ALA 76 HA ALA 76 -3.785 -15.014 -6.027 603 1HB ALA 76 1HB ALA 76 -4.284 -17.403 -6.042 604 2HB ALA 76 2HB ALA 76 -4.886 -16.679 -4.541 605 3HB ALA 76 3HB ALA 76 -6.014 -17.089 -5.851 606 H GLU 77 H GLU 77 -6.980 -15.356 -7.529 607 HA GLU 77 HA GLU 77 -6.196 -16.120 -10.154 608 1HB GLU 77 1HB GLU 77 -8.510 -16.120 -9.251 609 2HB GLU 77 2HB GLU 77 -8.437 -14.388 -8.995 610 1HG GLU 77 1HG GLU 77 -8.243 -14.122 -11.540 611 2HG GLU 77 2HG GLU 77 -8.698 -15.832 -11.637 612 H ALA 78 H ALA 78 -6.451 -12.876 -8.639 613 HA ALA 78 HA ALA 78 -5.806 -11.464 -11.084 614 1HB ALA 78 1HB ALA 78 -7.072 -10.476 -9.142 615 2HB ALA 78 2HB ALA 78 -5.550 -10.440 -8.223 616 3HB ALA 78 3HB ALA 78 -5.731 -9.495 -9.724 617 H LEU 79 H LEU 79 -3.842 -12.395 -8.173 618 HA LEU 79 HA LEU 79 -1.413 -11.358 -9.211 619 1HB LEU 79 1HB LEU 79 -2.292 -12.909 -6.902 620 2HB LEU 79 2HB LEU 79 -0.812 -13.612 -7.538 621 HG LEU 79 HG LEU 79 -1.136 -10.631 -7.002 622 1HD1 LEU 79 1HD1 LEU 79 -1.408 -11.780 -4.896 623 2HD1 LEU 79 2HD1 LEU 79 0.035 -12.770 -5.189 624 3HD1 LEU 79 3HD1 LEU 79 0.179 -11.012 -4.939 625 1HD2 LEU 79 1HD2 LEU 79 1.379 -12.330 -7.298 626 2HD2 LEU 79 2HD2 LEU 79 0.688 -11.368 -8.597 627 3HD2 LEU 79 3HD2 LEU 79 1.285 -10.561 -7.146 628 H SER 80 H SER 80 -3.008 -14.460 -9.720 629 HA SER 80 HA SER 80 -0.858 -15.757 -11.117 630 1HB SER 80 1HB SER 80 -3.880 -16.106 -11.190 631 2HB SER 80 2HB SER 80 -2.751 -17.210 -11.943 632 HG SER 80 HG SER 80 -2.929 -16.495 -9.206 633 H MET 81 H MET 81 -3.508 -13.550 -12.128 634 HA MET 81 HA MET 81 -2.945 -13.670 -14.935 635 1HB MET 81 1HB MET 81 -5.012 -12.800 -13.595 636 2HB MET 81 2HB MET 81 -4.127 -11.278 -13.483 637 1HG MET 81 1HG MET 81 -4.047 -11.123 -15.916 638 2HG MET 81 2HG MET 81 -4.803 -12.715 -16.077 639 1HE MET 81 1HE MET 81 -8.497 -12.150 -15.045 640 2HE MET 81 2HE MET 81 -7.288 -13.263 -15.717 641 3HE MET 81 3HE MET 81 -7.225 -12.804 -13.997 642 H LEU 82 H LEU 82 -1.727 -11.722 -12.237 643 HA LEU 82 HA LEU 82 -0.142 -9.882 -13.684 644 1HB LEU 82 1HB LEU 82 -0.800 -9.933 -11.153 645 2HB LEU 82 2HB LEU 82 0.571 -10.994 -10.954 646 HG LEU 82 HG LEU 82 2.112 -9.269 -11.773 647 1HD1 LEU 82 1HD1 LEU 82 0.553 -7.900 -13.168 648 2HD1 LEU 82 2HD1 LEU 82 -0.295 -7.389 -11.688 649 3HD1 LEU 82 3HD1 LEU 82 1.403 -6.941 -11.961 650 1HD2 LEU 82 1HD2 LEU 82 0.266 -8.603 -9.426 651 2HD2 LEU 82 2HD2 LEU 82 1.753 -9.572 -9.401 652 3HD2 LEU 82 3HD2 LEU 82 1.847 -7.854 -9.700 653 H LYS 83 H LYS 83 0.686 -13.127 -12.391 654 HA LYS 83 HA LYS 83 3.433 -12.944 -13.477 655 1HB LYS 83 1HB LYS 83 2.884 -14.096 -11.333 656 2HB LYS 83 2HB LYS 83 2.019 -15.338 -12.238 657 1HG LYS 83 1HG LYS 83 4.011 -16.171 -13.215 658 2HG LYS 83 2HG LYS 83 4.904 -14.679 -12.892 659 1HD LYS 83 1HD LYS 83 4.787 -15.204 -10.421 660 2HD LYS 83 2HD LYS 83 4.006 -16.735 -10.844 661 1HE LYS 83 1HE LYS 83 6.313 -17.211 -10.450 662 2HE LYS 83 2HE LYS 83 6.024 -17.369 -12.180 663 1HZ LYS 83 1HZ LYS 83 7.039 -15.187 -12.476 664 2HZ LYS 83 2HZ LYS 83 7.275 -15.027 -10.853 665 3HZ LYS 83 3HZ LYS 83 8.065 -16.196 -11.696 666 H GLY 84 H GLY 84 0.315 -14.058 -14.580 667 1HA GLY 84 1HA GLY 84 -0.263 -14.531 -16.793 668 2HA GLY 84 2HA GLY 84 1.419 -14.916 -17.186 669 H SER 85 H SER 85 1.282 -16.471 -14.383 670 HA SER 85 HA SER 85 -0.336 -18.775 -15.084 671 1HB SER 85 1HB SER 85 2.685 -18.996 -14.698 672 2HB SER 85 2HB SER 85 1.548 -20.360 -14.799 673 HG SER 85 HG SER 85 2.539 -18.689 -16.756 674 H THR 86 H THR 86 0.370 -20.466 -13.124 675 HA THR 86 HA THR 86 -0.967 -19.617 -10.938 676 HB THR 86 HB THR 86 1.308 -21.648 -11.004 677 HG1 THR 86 1HG THR 86 -1.356 -21.952 -11.970 678 1HG2 THR 86 1HG2 THR 86 0.233 -21.502 -8.806 679 2HG2 THR 86 2HG2 THR 86 -1.371 -21.691 -9.543 680 3HG2 THR 86 3HG2 THR 86 -0.193 -23.020 -9.601 681 H VAL 87 H VAL 87 -0.517 -18.751 -8.956 682 HA VAL 87 HA VAL 87 2.256 -18.139 -8.159 683 HB VAL 87 HB VAL 87 -0.203 -16.317 -8.169 684 1HG1 VAL 87 1HG1 VAL 87 2.411 -15.989 -6.651 685 2HG1 VAL 87 2HG1 VAL 87 1.250 -14.674 -6.956 686 3HG1 VAL 87 3HG1 VAL 87 0.774 -16.052 -5.966 687 1HG2 VAL 87 1HG2 VAL 87 1.319 -14.744 -9.313 688 2HG2 VAL 87 2HG2 VAL 87 2.624 -15.944 -9.222 689 3HG2 VAL 87 3HG2 VAL 87 1.183 -16.260 -10.217 690 H GLU 88 H GLU 88 2.576 -18.801 -6.102 691 HA GLU 88 HA GLU 88 0.349 -20.054 -4.587 692 1HB GLU 88 1HB GLU 88 3.352 -20.090 -4.484 693 2HB GLU 88 2HB GLU 88 2.485 -20.301 -2.960 694 1HG GLU 88 1HG GLU 88 1.560 -21.928 -5.332 695 2HG GLU 88 2HG GLU 88 3.091 -22.349 -4.581 696 H LEU 89 H LEU 89 -0.907 -18.328 -4.086 697 HA LEU 89 HA LEU 89 0.347 -15.948 -2.849 698 1HB LEU 89 1HB LEU 89 -1.158 -15.332 -4.539 699 2HB LEU 89 2HB LEU 89 -2.401 -16.460 -3.978 700 HG LEU 89 HG LEU 89 -2.833 -15.148 -1.986 701 1HD1 LEU 89 1HD1 LEU 89 -1.895 -13.062 -1.448 702 2HD1 LEU 89 2HD1 LEU 89 -0.557 -14.185 -1.509 703 3HD1 LEU 89 3HD1 LEU 89 -0.818 -13.057 -2.860 704 1HD2 LEU 89 1HD2 LEU 89 -3.384 -12.927 -3.113 705 2HD2 LEU 89 2HD2 LEU 89 -2.703 -13.615 -4.591 706 3HD2 LEU 89 3HD2 LEU 89 -4.068 -14.421 -3.766 707 H THR 90 H THR 90 0.786 -16.280 -0.768 708 HA THR 90 HA THR 90 -1.205 -17.734 0.913 709 HB THR 90 HB THR 90 1.652 -17.033 1.604 710 HG1 THR 90 1HG THR 90 2.204 -19.117 0.927 711 1HG2 THR 90 1HG2 THR 90 -0.205 -19.164 2.711 712 2HG2 THR 90 2HG2 THR 90 1.459 -18.846 3.234 713 3HG2 THR 90 3HG2 THR 90 0.214 -17.632 3.521 714 H ILE 91 H ILE 91 -1.663 -16.537 2.920 715 HA ILE 91 HA ILE 91 -1.091 -13.606 2.776 716 HB ILE 91 HB ILE 91 -3.577 -14.696 4.109 717 1HG1 ILE 91 1HG1 ILE 91 -3.825 -15.367 1.746 718 2HG1 ILE 91 2HG1 ILE 91 -4.990 -14.194 2.275 719 1HG2 ILE 91 1HG2 ILE 91 -4.309 -12.297 3.747 720 2HG2 ILE 91 2HG2 ILE 91 -2.878 -12.475 4.784 721 3HG2 ILE 91 3HG2 ILE 91 -2.698 -11.949 3.103 722 1HD1 ILE 91 1HD1 ILE 91 -3.826 -12.385 1.087 723 2HD1 ILE 91 2HD1 ILE 91 -2.527 -13.521 0.642 724 3HD1 ILE 91 3HD1 ILE 91 -4.164 -13.725 -0.014 725 H VAL 92 H VAL 92 -0.028 -13.056 4.675 726 HA VAL 92 HA VAL 92 -0.111 -14.953 6.975 727 HB VAL 92 HB VAL 92 2.275 -14.673 7.369 728 1HG1 VAL 92 1HG1 VAL 92 1.772 -15.695 4.536 729 2HG1 VAL 92 2HG1 VAL 92 3.125 -16.105 5.602 730 3HG1 VAL 92 3HG1 VAL 92 1.490 -16.611 6.037 731 1HG2 VAL 92 1HG2 VAL 92 3.772 -13.783 5.605 732 2HG2 VAL 92 2HG2 VAL 92 2.365 -13.183 4.712 733 3HG2 VAL 92 3HG2 VAL 92 2.760 -12.543 6.339 734 H GLU 93 H GLU 93 0.707 -13.757 9.050 735 HA GLU 93 HA GLU 93 -0.335 -10.993 8.920 736 1HB GLU 93 1HB GLU 93 -1.416 -11.395 11.078 737 2HB GLU 93 2HB GLU 93 -2.158 -12.165 9.691 738 1HG GLU 93 1HG GLU 93 -0.253 -13.936 11.144 739 2HG GLU 93 2HG GLU 93 -1.582 -13.347 12.132 740 H ASP 94 H ASP 94 1.273 -9.643 9.353 741 HA ASP 94 HA ASP 94 2.689 -9.927 11.870 742 1HB ASP 94 1HB ASP 94 4.293 -10.929 10.215 743 2HB ASP 94 2HB ASP 94 4.348 -9.364 9.397 744 H ASP 95 H ASP 95 2.251 -8.113 12.833 745 HA ASP 95 HA ASP 95 0.887 -5.970 11.606 746 1HB ASP 95 1HB ASP 95 0.668 -6.642 13.943 747 2HB ASP 95 2HB ASP 95 2.313 -6.075 14.267 748 H ASN 96 H ASN 96 4.367 -6.427 12.249 749 HA ASN 96 HA ASN 96 4.983 -4.418 10.322 750 1HB ASN 96 1HB ASN 96 4.600 -2.910 12.228 751 2HB ASN 96 2HB ASN 96 5.873 -3.726 13.141 752 1HD2 ASN 96 1HD2 ASN 96 8.056 -3.052 12.721 753 2HD2 ASN 96 2HD2 ASN 96 8.468 -1.972 11.398 754 HA PRO 97 HA PRO 97 8.276 -7.556 10.927 755 1HB PRO 97 1HB PRO 97 8.620 -8.295 8.334 756 2HB PRO 97 2HB PRO 97 7.392 -9.014 9.415 757 1HG PRO 97 1HG PRO 97 7.028 -6.895 7.312 758 2HG PRO 97 2HG PRO 97 5.947 -8.272 7.729 759 1HD PRO 97 1HD PRO 97 5.566 -5.649 8.564 760 2HD PRO 97 2HD PRO 97 4.960 -7.075 9.456 761 H ALA 98 H ALA 98 8.540 -5.881 7.726 762 HA ALA 98 HA ALA 98 10.207 -3.750 8.737 763 1HB ALA 98 1HB ALA 98 12.298 -4.466 7.677 764 2HB ALA 98 2HB ALA 98 11.806 -5.674 8.841 765 3HB ALA 98 3HB ALA 98 11.526 -5.965 7.107 766 H VAL 99 H VAL 99 7.770 -4.144 6.881 767 HA VAL 99 HA VAL 99 8.807 -2.765 4.509 768 HB VAL 99 HB VAL 99 7.059 -5.211 4.325 769 1HG1 VAL 99 1HG1 VAL 99 8.410 -3.567 2.149 770 2HG1 VAL 99 2HG1 VAL 99 7.603 -5.116 1.868 771 3HG1 VAL 99 3HG1 VAL 99 6.670 -3.745 2.441 772 1HG2 VAL 99 1HG2 VAL 99 10.038 -5.103 3.768 773 2HG2 VAL 99 2HG2 VAL 99 9.185 -6.133 4.942 774 3HG2 VAL 99 3HG2 VAL 99 8.971 -6.401 3.222 775 H ARG 100 H ARG 100 7.053 -1.684 3.362 776 HA ARG 100 HA ARG 100 4.795 -0.962 5.173 777 1HB ARG 100 1HB ARG 100 6.185 0.530 2.886 778 2HB ARG 100 2HB ARG 100 4.618 0.992 3.519 779 1HG ARG 100 1HG ARG 100 6.128 2.415 4.586 780 2HG ARG 100 2HG ARG 100 5.661 1.237 5.812 781 1HD ARG 100 1HD ARG 100 7.829 0.016 5.370 782 2HD ARG 100 2HD ARG 100 8.274 1.277 4.217 783 HE ARG 100 HE ARG 100 8.269 1.336 7.145 784 1HH1 ARG 100 2HH2 ARG 100 8.835 3.262 4.215 785 2HH1 ARG 100 1HH2 ARG 100 9.475 4.611 5.096 786 1HH2 ARG 100 2HH1 ARG 100 8.795 3.172 8.274 787 2HH2 ARG 100 1HH1 ARG 100 9.488 4.556 7.496 788 H THR 101 H THR 101 2.666 -0.992 4.269 789 HA THR 101 HA THR 101 2.268 -2.809 1.992 790 HB THR 101 HB THR 101 -0.024 -2.768 2.696 791 HG1 THR 101 1HG THR 101 -0.887 -1.120 3.569 792 1HG2 THR 101 1HG2 THR 101 0.065 -3.537 4.920 793 2HG2 THR 101 2HG2 THR 101 1.634 -3.957 4.234 794 3HG2 THR 101 3HG2 THR 101 1.484 -2.567 5.324 795 HA PRO 102 HA PRO 102 1.939 0.481 -0.863 796 1HB PRO 102 1HB PRO 102 -0.352 0.411 -2.310 797 2HB PRO 102 2HB PRO 102 0.889 -0.889 -2.388 798 1HG PRO 102 1HG PRO 102 -1.578 -0.789 -0.723 799 2HG PRO 102 2HG PRO 102 -1.062 -2.133 -1.806 800 1HD PRO 102 1HD PRO 102 -0.623 -2.158 0.872 801 2HD PRO 102 2HD PRO 102 0.608 -2.807 -0.223 802 H LEU 103 H LEU 103 -0.894 0.342 1.257 803 HA LEU 103 HA LEU 103 -1.731 3.092 1.079 804 1HB LEU 103 1HB LEU 103 -3.019 1.094 1.978 805 2HB LEU 103 2HB LEU 103 -2.017 1.140 3.421 806 HG LEU 103 HG LEU 103 -3.875 3.354 2.449 807 1HD1 LEU 103 1HD1 LEU 103 -4.173 1.344 4.716 808 2HD1 LEU 103 2HD1 LEU 103 -5.318 2.645 4.323 809 3HD1 LEU 103 3HD1 LEU 103 -5.063 1.327 3.179 810 1HD2 LEU 103 1HD2 LEU 103 -3.659 4.280 4.766 811 2HD2 LEU 103 2HD2 LEU 103 -2.271 3.203 5.020 812 3HD2 LEU 103 3HD2 LEU 103 -2.226 4.472 3.773 813 H GLU 104 H GLU 104 0.290 1.267 3.491 814 HA GLU 104 HA GLU 104 1.145 3.713 4.708 815 1HB GLU 104 1HB GLU 104 1.752 0.824 5.169 816 2HB GLU 104 2HB GLU 104 2.960 1.994 5.664 817 1HG GLU 104 1HG GLU 104 1.745 1.893 7.558 818 2HG GLU 104 2HG GLU 104 1.012 3.293 6.812 819 H TRP 105 H TRP 105 2.271 2.141 1.840 820 HA TRP 105 HA TRP 105 4.875 3.422 1.862 821 1HB TRP 105 1HB TRP 105 3.210 2.063 -0.249 822 2HB TRP 105 2HB TRP 105 4.357 3.252 -0.797 823 HD1 TRP 105 HD TRP 105 4.298 -0.319 -0.024 824 HE1 TRP 105 1HE TRP 105 6.631 -1.265 0.117 825 HE3 TRP 105 3HE TRP 105 6.859 4.090 0.113 826 HZ2 TRP 105 2HZ TRP 105 9.345 -0.191 0.540 827 HZ3 TRP 105 3HZ TRP 105 9.325 4.121 0.266 828 HH2 TRP 105 HH TRP 105 10.584 1.982 0.563 829 H ARG 106 H ARG 106 1.678 4.262 0.449 830 HA ARG 106 HA ARG 106 2.426 6.852 -0.492 831 1HB ARG 106 1HB ARG 106 0.195 5.871 -1.000 832 2HB ARG 106 2HB ARG 106 -0.227 5.923 0.713 833 1HG ARG 106 1HG ARG 106 0.198 8.450 0.633 834 2HG ARG 106 2HG ARG 106 0.285 8.294 -1.108 835 1HD ARG 106 1HD ARG 106 -2.031 7.582 -1.188 836 2HD ARG 106 2HD ARG 106 -2.104 7.400 0.566 837 HE ARG 106 HE ARG 106 -2.299 9.872 -0.976 838 1HH1 ARG 106 2HH2 ARG 106 -1.878 8.515 2.303 839 2HH1 ARG 106 1HH2 ARG 106 -1.621 10.028 3.069 840 1HH2 ARG 106 2HH1 ARG 106 -2.121 11.858 0.058 841 2HH2 ARG 106 1HH1 ARG 106 -2.133 12.020 1.785 842 H GLN 107 H GLN 107 1.190 5.811 2.692 843 HA GLN 107 HA GLN 107 1.354 8.482 3.669 844 1HB GLN 107 1HB GLN 107 -0.123 6.624 4.575 845 2HB GLN 107 2HB GLN 107 1.307 5.977 5.394 846 1HG GLN 107 1HG GLN 107 -0.074 7.439 6.861 847 2HG GLN 107 2HG GLN 107 1.565 8.046 6.662 848 1HE2 GLN 107 1HE2 GLN 107 1.396 10.241 6.757 849 2HE2 GLN 107 2HE2 GLN 107 0.197 11.226 5.887 850 H ALA 108 H ALA 108 3.770 5.854 3.638 851 HA ALA 108 HA ALA 108 5.635 7.097 5.417 852 1HB ALA 108 1HB ALA 108 5.987 4.776 4.745 853 2HB ALA 108 2HB ALA 108 6.102 5.240 3.031 854 3HB ALA 108 3HB ALA 108 7.345 5.754 4.181 855 H ILE 109 H ILE 109 5.173 7.275 1.864 856 HA ILE 109 HA ILE 109 7.380 9.053 1.431 857 HB ILE 109 HB ILE 109 4.995 8.066 -0.188 858 1HG1 ILE 109 1HG1 ILE 109 7.999 7.685 -0.531 859 2HG1 ILE 109 2HG1 ILE 109 7.004 6.589 0.424 860 1HG2 ILE 109 1HG2 ILE 109 5.503 10.334 -1.072 861 2HG2 ILE 109 2HG2 ILE 109 7.184 9.842 -1.340 862 3HG2 ILE 109 3HG2 ILE 109 5.855 9.072 -2.228 863 1HD1 ILE 109 1HD1 ILE 109 5.650 6.083 -1.604 864 2HD1 ILE 109 2HD1 ILE 109 6.803 7.056 -2.565 865 3HD1 ILE 109 3HD1 ILE 109 7.348 5.601 -1.729 866 H TYR 110 H TYR 110 3.940 9.566 2.133 867 HA TYR 110 HA TYR 110 3.879 12.396 1.697 868 1HB TYR 110 1HB TYR 110 1.928 10.746 2.135 869 2HB TYR 110 2HB TYR 110 2.333 10.843 3.827 870 HD1 TYR 110 HD1 TYR 110 2.283 13.252 4.945 871 HD2 TYR 110 HD2 TYR 110 0.601 12.323 1.088 872 HE1 TYR 110 HE1 TYR 110 0.729 15.177 5.155 873 HE2 TYR 110 HE2 TYR 110 -0.906 14.280 1.262 874 HH TYR 110 HH TYR 110 -1.218 16.210 4.231 875 H GLU 111 H GLU 111 4.443 10.370 4.609 876 HA GLU 111 HA GLU 111 4.985 12.533 6.352 877 1HB GLU 111 1HB GLU 111 4.257 10.089 6.834 878 2HB GLU 111 2HB GLU 111 5.985 9.688 6.717 879 1HG GLU 111 1HG GLU 111 6.363 11.506 8.446 880 2HG GLU 111 2HG GLU 111 4.624 11.689 8.583 881 H GLU 112 H GLU 112 7.086 10.795 4.040 882 HA GLU 112 HA GLU 112 9.591 11.679 5.032 883 1HB GLU 112 1HB GLU 112 8.452 10.766 2.384 884 2HB GLU 112 2HB GLU 112 10.086 11.334 2.497 885 1HG GLU 112 1HG GLU 112 9.248 9.238 4.452 886 2HG GLU 112 2HG GLU 112 9.350 8.746 2.783 887 H LYS 113 H LYS 113 7.133 13.118 2.753 888 HA LYS 113 HA LYS 113 8.794 15.389 2.153 889 1HB LYS 113 1HB LYS 113 6.077 14.492 1.535 890 2HB LYS 113 2HB LYS 113 6.053 16.185 1.976 891 1HG LYS 113 1HG LYS 113 7.791 14.949 -0.207 892 2HG LYS 113 2HG LYS 113 6.280 15.821 -0.426 893 1HD LYS 113 1HD LYS 113 7.579 17.588 -0.823 894 2HD LYS 113 2HD LYS 113 7.632 17.736 0.934 895 1HE LYS 113 1HE LYS 113 9.796 16.408 0.905 896 2HE LYS 113 2HE LYS 113 9.691 16.352 -0.856 897 1HZ LYS 113 1HZ LYS 113 11.137 18.148 -0.077 898 2HZ LYS 113 2HZ LYS 113 9.844 18.741 -0.901 899 3HZ LYS 113 3HZ LYS 113 9.895 18.813 0.758 900 H LEU 114 H LEU 114 6.773 14.549 4.819 901 HA LEU 114 HA LEU 114 6.717 17.249 6.005 902 1HB LEU 114 1HB LEU 114 6.100 14.626 7.413 903 2HB LEU 114 2HB LEU 114 5.711 16.257 7.918 904 HG LEU 114 HG LEU 114 4.425 14.782 5.618 905 1HD1 LEU 114 1HD1 LEU 114 2.444 14.814 7.053 906 2HD1 LEU 114 2HD1 LEU 114 3.793 14.007 7.875 907 3HD1 LEU 114 3HD1 LEU 114 3.346 15.670 8.323 908 1HD2 LEU 114 1HD2 LEU 114 4.520 17.169 5.096 909 2HD2 LEU 114 2HD2 LEU 114 2.873 16.690 5.490 910 3HD2 LEU 114 3HD2 LEU 114 3.849 17.572 6.694 911 H ALA 115 H ALA 115 8.590 14.220 6.278 912 HA ALA 115 HA ALA 115 10.246 15.008 8.467 913 1HB ALA 115 1HB ALA 115 9.963 12.643 7.622 914 2HB ALA 115 2HB ALA 115 10.926 13.089 6.195 915 3HB ALA 115 3HB ALA 115 11.645 13.143 7.800 916 H GLN 116 H GLN 116 10.418 15.430 4.940 917 HA GLN 116 HA GLN 116 12.983 16.714 4.837 918 1HB GLN 116 1HB GLN 116 10.585 16.769 2.997 919 2HB GLN 116 2HB GLN 116 12.042 17.691 2.663 920 1HG GLN 116 1HG GLN 116 12.009 14.669 3.038 921 2HG GLN 116 2HG GLN 116 11.904 15.491 1.488 922 1HE2 GLN 116 1HE2 GLN 116 13.781 16.880 0.827 923 2HE2 GLN 116 2HE2 GLN 116 15.337 16.153 1.175 924 H ALA 117 H ALA 117 9.860 17.828 5.909 925 HA ALA 117 HA ALA 117 10.686 20.657 5.839 926 1HB ALA 117 1HB ALA 117 8.270 19.455 7.281 927 2HB ALA 117 2HB ALA 117 8.566 21.144 6.869 928 3HB ALA 117 3HB ALA 117 8.255 19.960 5.580 929 H ARG 118 H ARG 118 10.144 18.051 8.277 930 HA ARG 118 HA ARG 118 10.793 19.633 10.537 931 1HB ARG 118 1HB ARG 118 9.640 17.395 10.582 932 2HB ARG 118 2HB ARG 118 11.162 16.619 10.214 933 1HG ARG 118 1HG ARG 118 11.061 18.509 12.585 934 2HG ARG 118 2HG ARG 118 10.202 16.986 12.726 935 1HD ARG 118 1HD ARG 118 13.177 17.220 12.107 936 2HD ARG 118 2HD ARG 118 12.461 16.853 13.685 937 HE ARG 118 HE ARG 118 11.572 15.122 11.514 938 1HH1 ARG 118 2HH2 ARG 118 14.069 15.343 14.101 939 2HH1 ARG 118 1HH2 ARG 118 14.418 13.641 13.934 940 1HH2 ARG 118 2HH1 ARG 118 11.964 13.057 11.482 941 2HH2 ARG 118 1HH1 ARG 118 12.986 12.233 12.624 942 H GLU 119 H GLU 119 12.834 17.633 8.437 943 HA GLU 119 HA GLU 119 15.170 17.804 10.046 944 1HB GLU 119 1HB GLU 119 16.409 17.075 8.140 945 2HB GLU 119 2HB GLU 119 14.918 16.160 8.376 946 1HG GLU 119 1HG GLU 119 14.579 16.356 6.222 947 2HG GLU 119 2HG GLU 119 14.140 18.043 6.524 948 H SER 120 H SER 120 14.062 19.871 7.392 949 HA SER 120 HA SER 120 16.207 21.682 7.427 950 1HB SER 120 1HB SER 120 14.873 23.250 6.279 951 2HB SER 120 2HB SER 120 14.321 21.653 5.763 952 HG SER 120 HG SER 120 12.611 21.917 7.406 953 H ILE 121 H ILE 121 13.732 21.328 9.913 954 HA ILE 121 HA ILE 121 14.048 23.944 11.050 955 HB ILE 121 HB ILE 121 12.947 21.481 12.438 956 1HG1 ILE 121 1HG1 ILE 121 11.482 23.498 10.658 957 2HG1 ILE 121 2HG1 ILE 121 11.766 21.807 10.291 958 1HG2 ILE 121 1HG2 ILE 121 13.419 23.505 13.866 959 2HG2 ILE 121 2HG2 ILE 121 12.279 24.418 12.875 960 3HG2 ILE 121 3HG2 ILE 121 11.743 23.020 13.838 961 1HD1 ILE 121 1HD1 ILE 121 10.380 21.165 12.287 962 2HD1 ILE 121 2HD1 ILE 121 9.922 22.881 12.423 963 3HD1 ILE 121 3HD1 ILE 121 9.510 21.971 10.966 964 H ILE 122 H ILE 122 15.796 20.875 11.316 965 HA ILE 122 HA ILE 122 17.233 21.485 13.748 966 HB ILE 122 HB ILE 122 17.730 19.546 11.479 967 1HG1 ILE 122 1HG1 ILE 122 17.502 17.847 13.276 968 2HG1 ILE 122 2HG1 ILE 122 17.134 19.117 14.441 969 1HG2 ILE 122 1HG2 ILE 122 19.613 18.611 12.790 970 2HG2 ILE 122 2HG2 ILE 122 19.931 20.220 12.154 971 3HG2 ILE 122 3HG2 ILE 122 19.520 20.023 13.867 972 1HD1 ILE 122 1HD1 ILE 122 15.011 19.556 13.378 973 2HD1 ILE 122 2HD1 ILE 122 15.487 18.628 11.941 974 3HD1 ILE 122 3HD1 ILE 122 15.175 17.793 13.459 975 H ALA 123 H ALA 123 17.981 21.839 10.245 976 HA ALA 123 HA ALA 123 20.381 23.303 10.598 977 1HB ALA 123 1HB ALA 123 20.081 23.932 8.241 978 2HB ALA 123 2HB ALA 123 19.727 22.215 8.473 979 3HB ALA 123 3HB ALA 123 18.396 23.374 8.278 980 H ASP 124 H ASP 124 16.976 24.319 10.586 981 HA ASP 124 HA ASP 124 17.410 27.145 10.438 982 1HB ASP 124 1HB ASP 124 15.242 26.001 10.034 983 2HB ASP 124 2HB ASP 124 15.156 25.600 11.743 984 H ASN 125 H ASN 125 17.378 24.830 13.143 985 HA ASN 125 HA ASN 125 17.960 26.991 15.068 986 1HB ASN 125 1HB ASN 125 17.570 25.614 16.812 987 2HB ASN 125 2HB ASN 125 16.360 25.133 15.647 988 1HD2 ASN 125 1HD2 ASN 125 19.540 24.208 16.989 989 2HD2 ASN 125 2HD2 ASN 125 19.336 22.478 16.749 990 H ASN 126 H ASN 126 19.695 25.897 12.780 991 HA ASN 126 HA ASN 126 21.762 26.275 12.210 992 1HB ASN 126 1HB ASN 126 22.643 26.508 15.104 993 2HB ASN 126 2HB ASN 126 23.565 26.907 13.665 994 1HD2 ASN 126 1HD2 ASN 126 21.870 28.385 16.102 995 2HD2 ASN 126 2HD2 ASN 126 21.321 29.797 15.218 996 H ILE 127 H ILE 127 21.510 23.960 14.963 997 HA ILE 127 HA ILE 127 23.032 22.050 13.326 998 HB ILE 127 HB ILE 127 24.823 23.351 14.235 999 1HG1 ILE 127 1HG1 ILE 127 26.130 21.702 15.515 1000 2HG1 ILE 127 2HG1 ILE 127 24.692 20.710 15.742 1001 1HG2 ILE 127 1HG2 ILE 127 25.307 23.686 16.571 1002 2HG2 ILE 127 2HG2 ILE 127 23.706 24.341 16.240 1003 3HG2 ILE 127 3HG2 ILE 127 23.883 22.770 17.064 1004 1HD1 ILE 127 1HD1 ILE 127 24.559 20.295 13.331 1005 2HD1 ILE 127 2HD1 ILE 127 25.879 21.451 13.028 1006 3HD1 ILE 127 3HD1 ILE 127 26.194 19.936 13.902 1007 H GLN 128 H GLN 128 21.763 22.575 16.603 1008 HA GLN 128 HA GLN 128 20.686 21.353 18.082 1009 1HB GLN 128 1HB GLN 128 19.017 20.879 16.080 1010 2HB GLN 128 2HB GLN 128 19.708 19.265 16.117 1011 1HG GLN 128 1HG GLN 128 19.194 19.065 18.528 1012 2HG GLN 128 2HG GLN 128 18.581 20.719 18.562 1013 1HE2 GLN 128 1HE2 GLN 128 16.810 21.029 16.566 1014 2HE2 GLN 128 2HE2 GLN 128 15.558 19.816 16.657
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