NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
617888 | 5lqv | 34036 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H ALA 1 H ALA 1 1.807 -0.001 0.855 2 HA ALA 1 HA ALA 1 1.505 0.502 -1.996 3 HB1 ALA 1 HB1 ALA 1 3.317 1.723 -1.567 4 HB2 ALA 1 HB2 ALA 1 3.572 0.933 -0.010 5 HB3 ALA 1 HB3 ALA 1 4.208 0.203 -1.484 6 H ILE 2 H ILE 2 3.408 -0.735 -3.278 7 HA ILE 2 HA ILE 2 3.589 -3.531 -2.543 8 HB ILE 2 HB ILE 2 2.684 -4.274 -4.772 9 HG12 ILE 2 HG12 ILE 2 1.436 -1.518 -4.783 10 HG13 ILE 2 HG13 ILE 2 2.768 -2.011 -5.824 11 HG21 ILE 2 HG21 ILE 2 1.477 -4.172 -2.447 12 HG22 ILE 2 HG22 ILE 2 0.471 -2.974 -3.260 13 HG23 ILE 2 HG23 ILE 2 0.586 -4.611 -3.905 14 HD11 ILE 2 HD11 ILE 2 1.434 -3.243 -7.174 15 HD12 ILE 2 HD12 ILE 2 0.323 -3.674 -5.873 16 HD13 ILE 2 HD13 ILE 2 0.240 -2.073 -6.610 17 H SER 3 H SER 3 4.575 -4.720 -4.645 18 HA SER 3 HA SER 3 6.962 -3.151 -5.291 19 HB2 SER 3 HB2 SER 3 6.497 -6.117 -5.670 20 HB3 SER 3 HB3 SER 3 8.036 -5.264 -5.793 21 HG SER 3 HG SER 3 7.689 -6.330 -3.753 22 H CYS 4 H CYS 4 6.786 -2.034 -7.123 23 HA CYS 4 HA CYS 4 5.023 -2.427 -9.202 24 HB2 CYS 4 HB2 CYS 4 6.739 -0.497 -8.694 25 HB3 CYS 4 HB3 CYS 4 7.766 -1.395 -9.808 26 H GLY 5 H GLY 5 8.295 -3.736 -8.830 27 HA2 GLY 5 HA2 GLY 5 8.587 -4.921 -11.332 28 HA3 GLY 5 HA3 GLY 5 9.338 -5.505 -9.854 29 H ALA 6 H ALA 6 6.664 -5.933 -8.611 30 HA ALA 6 HA ALA 6 6.249 -8.599 -9.672 31 HB1 ALA 6 HB1 ALA 6 6.371 -8.024 -7.204 32 HB2 ALA 6 HB2 ALA 6 4.755 -7.341 -7.387 33 HB3 ALA 6 HB3 ALA 6 5.030 -9.053 -7.709 34 H VAL 7 H VAL 7 4.788 -5.498 -9.899 35 HA VAL 7 HA VAL 7 2.131 -6.307 -10.490 36 HB VAL 7 HB VAL 7 3.528 -3.770 -11.350 37 HG11 VAL 7 HG11 VAL 7 0.689 -3.632 -10.755 38 HG12 VAL 7 HG12 VAL 7 1.577 -3.064 -12.171 39 HG13 VAL 7 HG13 VAL 7 1.046 -4.744 -12.076 40 HG21 VAL 7 HG21 VAL 7 3.599 -4.252 -8.885 41 HG22 VAL 7 HG22 VAL 7 2.774 -2.759 -9.331 42 HG23 VAL 7 HG23 VAL 7 1.837 -4.187 -8.892 43 H THR 8 H THR 8 4.829 -5.282 -12.580 44 HA THR 8 HA THR 8 3.419 -5.913 -14.991 45 HB THR 8 HB THR 8 5.518 -5.437 -16.143 46 HG1 THR 8 HG1 THR 8 6.596 -5.393 -13.506 47 HG21 THR 8 HG21 THR 8 4.073 -3.646 -14.555 48 HG22 THR 8 HG22 THR 8 5.132 -3.252 -15.909 49 HG23 THR 8 HG23 THR 8 5.769 -3.260 -14.264 50 H SER 9 H SER 9 5.816 -7.529 -12.983 51 HA SER 9 HA SER 9 6.519 -9.599 -14.726 52 HB2 SER 9 HB2 SER 9 6.559 -9.262 -11.752 53 HB3 SER 9 HB3 SER 9 6.873 -10.857 -12.435 54 HG SER 9 HG SER 9 8.610 -8.980 -12.139 55 H ASP 10 H ASP 10 3.886 -9.356 -12.375 56 HA ASP 10 HA ASP 10 2.919 -11.967 -12.557 57 HB2 ASP 10 HB2 ASP 10 1.567 -9.348 -11.930 58 HB3 ASP 10 HB3 ASP 10 0.687 -10.874 -11.915 59 H LEU 11 H LEU 11 2.743 -9.355 -14.795 60 HA LEU 11 HA LEU 11 0.666 -10.710 -16.360 61 HB2 LEU 11 HB2 LEU 11 1.831 -7.945 -16.447 62 HB3 LEU 11 HB3 LEU 11 0.845 -8.581 -17.762 63 HG LEU 11 HG LEU 11 -0.010 -8.055 -14.920 64 HD11 LEU 11 HD11 LEU 11 -0.841 -6.883 -17.570 65 HD12 LEU 11 HD12 LEU 11 0.071 -6.074 -16.296 66 HD13 LEU 11 HD13 LEU 11 -1.609 -6.535 -16.021 67 HD21 LEU 11 HD21 LEU 11 -1.150 -9.806 -16.994 68 HD22 LEU 11 HD22 LEU 11 -2.286 -8.699 -16.222 69 HD23 LEU 11 HD23 LEU 11 -1.354 -9.833 -15.243 70 H SER 12 H SER 12 3.637 -11.393 -16.060 71 HA SER 12 HA SER 12 5.030 -10.883 -18.407 72 HB2 SER 12 HB2 SER 12 6.457 -11.931 -16.989 73 HB3 SER 12 HB3 SER 12 5.173 -12.888 -16.249 74 HG SER 12 HG SER 12 6.953 -13.779 -17.874 75 HA PRO 13 HA PRO 13 3.232 -14.947 -20.295 76 HB2 PRO 13 HB2 PRO 13 1.202 -16.157 -18.959 77 HB3 PRO 13 HB3 PRO 13 2.904 -16.527 -18.659 78 HG2 PRO 13 HG2 PRO 13 1.054 -14.743 -17.124 79 HG3 PRO 13 HG3 PRO 13 2.238 -15.915 -16.517 80 HD2 PRO 13 HD2 PRO 13 2.731 -13.253 -16.597 81 HD3 PRO 13 HD3 PRO 13 4.008 -14.468 -16.811 82 H CYS 14 H CYS 14 1.358 -12.463 -18.861 83 HA CYS 14 HA CYS 14 -0.941 -12.873 -20.589 84 HB2 CYS 14 HB2 CYS 14 -0.323 -10.674 -18.605 85 HB3 CYS 14 HB3 CYS 14 -1.848 -10.866 -19.465 86 H LEU 15 H LEU 15 1.943 -10.945 -20.448 87 HA LEU 15 HA LEU 15 1.413 -8.764 -21.987 88 HB2 LEU 15 HB2 LEU 15 3.634 -9.640 -20.983 89 HB3 LEU 15 HB3 LEU 15 3.852 -10.405 -22.556 90 HG LEU 15 HG LEU 15 3.825 -8.233 -23.643 91 HD11 LEU 15 HD11 LEU 15 2.893 -7.362 -20.994 92 HD12 LEU 15 HD12 LEU 15 2.564 -6.696 -22.593 93 HD13 LEU 15 HD13 LEU 15 4.073 -6.305 -21.769 94 HD21 LEU 15 HD21 LEU 15 5.740 -8.864 -21.480 95 HD22 LEU 15 HD22 LEU 15 5.819 -7.240 -22.162 96 HD23 LEU 15 HD23 LEU 15 6.008 -8.647 -23.209 97 H THR 16 H THR 16 1.957 -12.066 -23.127 98 HA THR 16 HA THR 16 2.042 -11.602 -25.865 99 HB THR 16 HB THR 16 0.877 -13.980 -24.406 100 HG1 THR 16 HG1 THR 16 3.460 -13.241 -25.260 101 HG21 THR 16 HG21 THR 16 1.938 -14.696 -26.928 102 HG22 THR 16 HG22 THR 16 0.854 -13.329 -27.189 103 HG23 THR 16 HG23 THR 16 0.261 -14.784 -26.389 104 H TYR 17 H TYR 17 -0.825 -12.781 -24.095 105 HA TYR 17 HA TYR 17 -2.641 -12.298 -26.169 106 HB2 TYR 17 HB2 TYR 17 -3.293 -13.778 -24.421 107 HB3 TYR 17 HB3 TYR 17 -3.018 -12.555 -23.186 108 HD1 TYR 17 HD1 TYR 17 -4.826 -11.356 -22.371 109 HD2 TYR 17 HD2 TYR 17 -5.132 -13.194 -26.196 110 HE1 TYR 17 HE1 TYR 17 -7.193 -10.697 -22.492 111 HE2 TYR 17 HE2 TYR 17 -7.499 -12.539 -26.328 112 HH TYR 17 HH TYR 17 -9.028 -10.961 -25.390 113 H LEU 18 H LEU 18 -1.391 -10.216 -23.659 114 HA LEU 18 HA LEU 18 -3.327 -8.144 -23.979 115 HB2 LEU 18 HB2 LEU 18 -0.589 -8.206 -22.733 116 HB3 LEU 18 HB3 LEU 18 -1.609 -6.768 -22.745 117 HG LEU 18 HG LEU 18 -2.203 -9.389 -21.373 118 HD11 LEU 18 HD11 LEU 18 -1.567 -6.642 -20.306 119 HD12 LEU 18 HD12 LEU 18 -0.539 -8.072 -20.211 120 HD13 LEU 18 HD13 LEU 18 -2.067 -8.025 -19.332 121 HD21 LEU 18 HD21 LEU 18 -3.971 -7.387 -20.527 122 HD22 LEU 18 HD22 LEU 18 -4.349 -8.828 -21.472 123 HD23 LEU 18 HD23 LEU 18 -3.963 -7.313 -22.289 124 H THR 19 H THR 19 -0.421 -9.038 -25.619 125 HA THR 19 HA THR 19 -0.214 -6.448 -26.954 126 HB THR 19 HB THR 19 1.802 -7.457 -28.052 127 HG1 THR 19 HG1 THR 19 1.699 -9.523 -26.143 128 HG21 THR 19 HG21 THR 19 2.655 -7.909 -25.379 129 HG22 THR 19 HG22 THR 19 1.450 -6.620 -25.356 130 HG23 THR 19 HG23 THR 19 2.882 -6.471 -26.374 131 H GLY 20 H GLY 20 -2.461 -8.370 -27.390 132 HA2 GLY 20 HA2 GLY 20 -3.782 -8.581 -29.323 133 HA3 GLY 20 HA3 GLY 20 -2.351 -8.305 -30.304 134 H GLY 21 H GLY 21 -1.270 -10.463 -28.180 135 HA2 GLY 21 HA2 GLY 21 -1.336 -12.618 -30.035 136 HA3 GLY 21 HA3 GLY 21 -0.711 -12.684 -28.394 137 HA PRO 22 HA PRO 22 -4.707 -15.145 -28.818 138 HB2 PRO 22 HB2 PRO 22 -3.641 -17.573 -28.240 139 HB3 PRO 22 HB3 PRO 22 -3.739 -16.935 -29.885 140 HG2 PRO 22 HG2 PRO 22 -1.413 -16.967 -28.001 141 HG3 PRO 22 HG3 PRO 22 -1.452 -17.325 -29.738 142 HD2 PRO 22 HD2 PRO 22 -0.614 -14.943 -28.760 143 HD3 PRO 22 HD3 PRO 22 -1.437 -15.097 -30.326 144 H GLY 23 H GLY 23 -5.935 -15.846 -27.081 145 HA2 GLY 23 HA2 GLY 23 -5.420 -16.870 -24.697 146 HA3 GLY 23 HA3 GLY 23 -4.803 -15.242 -24.456 147 HA PRO 24 HA PRO 24 -5.229 -14.630 -22.611 148 HB2 PRO 24 HB2 PRO 24 -6.474 -15.018 -20.231 149 HB3 PRO 24 HB3 PRO 24 -6.488 -13.468 -21.080 150 HG2 PRO 24 HG2 PRO 24 -8.588 -15.600 -20.994 151 HG3 PRO 24 HG3 PRO 24 -8.775 -13.840 -20.879 152 HD2 PRO 24 HD2 PRO 24 -9.248 -15.208 -23.167 153 HD3 PRO 24 HD3 PRO 24 -8.620 -13.548 -23.160 154 H SER 25 H SER 25 -3.840 -16.256 -22.378 155 HA SER 25 HA SER 25 -4.575 -18.972 -22.501 156 HB2 SER 25 HB2 SER 25 -2.086 -19.146 -21.512 157 HB3 SER 25 HB3 SER 25 -2.409 -18.743 -23.198 158 HG SER 25 HG SER 25 -1.625 -17.072 -21.081 159 HA PRO 26 HA PRO 26 -5.373 -20.197 -18.367 160 HB2 PRO 26 HB2 PRO 26 -4.019 -22.539 -18.137 161 HB3 PRO 26 HB3 PRO 26 -5.484 -22.368 -19.111 162 HG2 PRO 26 HG2 PRO 26 -2.619 -22.354 -19.979 163 HG3 PRO 26 HG3 PRO 26 -4.011 -23.157 -20.728 164 HD2 PRO 26 HD2 PRO 26 -3.006 -20.820 -21.654 165 HD3 PRO 26 HD3 PRO 26 -4.732 -21.225 -21.758 166 H GLN 27 H GLN 27 -1.986 -20.122 -19.311 167 HA GLN 27 HA GLN 27 -0.984 -20.216 -16.626 168 HB2 GLN 27 HB2 GLN 27 0.415 -19.341 -19.159 169 HB3 GLN 27 HB3 GLN 27 1.189 -19.748 -17.633 170 HG2 GLN 27 HG2 GLN 27 0.457 -22.044 -17.836 171 HG3 GLN 27 HG3 GLN 27 -0.413 -21.657 -19.319 172 HE21 GLN 27 HE21 GLN 27 0.902 -20.821 -21.116 173 HE22 GLN 27 HE22 GLN 27 2.496 -21.453 -21.327 174 H CYS 28 H CYS 28 -1.978 -17.731 -18.847 175 HA CYS 28 HA CYS 28 -0.705 -15.559 -17.502 176 HB2 CYS 28 HB2 CYS 28 -1.202 -14.978 -19.674 177 HB3 CYS 28 HB3 CYS 28 -2.736 -15.843 -19.667 178 H CYS 29 H CYS 29 -4.059 -16.751 -17.587 179 HA CYS 29 HA CYS 29 -5.245 -14.931 -15.896 180 HB2 CYS 29 HB2 CYS 29 -5.757 -17.853 -16.382 181 HB3 CYS 29 HB3 CYS 29 -6.726 -16.950 -15.223 182 H GLY 30 H GLY 30 -3.199 -17.667 -15.091 183 HA2 GLY 30 HA2 GLY 30 -3.705 -17.913 -12.371 184 HA3 GLY 30 HA3 GLY 30 -2.156 -18.250 -13.131 185 H GLY 31 H GLY 31 -1.492 -15.682 -14.021 186 HA2 GLY 31 HA2 GLY 31 -0.507 -14.563 -11.570 187 HA3 GLY 31 HA3 GLY 31 -0.225 -13.940 -13.189 188 H VAL 32 H VAL 32 -2.875 -13.539 -14.000 189 HA VAL 32 HA VAL 32 -3.400 -10.977 -13.138 190 HB VAL 32 HB VAL 32 -5.426 -12.978 -14.149 191 HG11 VAL 32 HG11 VAL 32 -6.737 -11.048 -14.822 192 HG12 VAL 32 HG12 VAL 32 -6.447 -11.013 -13.082 193 HG13 VAL 32 HG13 VAL 32 -5.519 -9.963 -14.154 194 HG21 VAL 32 HG21 VAL 32 -3.277 -12.391 -15.510 195 HG22 VAL 32 HG22 VAL 32 -4.849 -12.420 -16.310 196 HG23 VAL 32 HG23 VAL 32 -4.130 -10.882 -15.834 197 H LYS 33 H LYS 33 -4.798 -14.008 -11.936 198 HA LYS 33 HA LYS 33 -6.557 -12.825 -10.072 199 HB2 LYS 33 HB2 LYS 33 -5.289 -15.570 -10.040 200 HB3 LYS 33 HB3 LYS 33 -6.655 -15.071 -9.051 201 HG2 LYS 33 HG2 LYS 33 -8.124 -15.186 -10.770 202 HG3 LYS 33 HG3 LYS 33 -6.922 -14.720 -11.976 203 HD2 LYS 33 HD2 LYS 33 -5.971 -16.915 -11.975 204 HD3 LYS 33 HD3 LYS 33 -6.955 -17.398 -10.592 205 HE2 LYS 33 HE2 LYS 33 -8.592 -16.407 -12.758 206 HE3 LYS 33 HE3 LYS 33 -7.562 -17.734 -13.291 207 HZ1 LYS 33 HZ1 LYS 33 -8.514 -18.594 -10.901 208 HZ2 LYS 33 HZ2 LYS 33 -9.117 -19.043 -12.416 209 HZ3 LYS 33 HZ3 LYS 33 -9.845 -17.781 -11.557 210 H LYS 34 H LYS 34 -3.252 -14.066 -9.768 211 HA LYS 34 HA LYS 34 -2.999 -13.680 -6.990 212 HB2 LYS 34 HB2 LYS 34 -1.441 -15.094 -8.170 213 HB3 LYS 34 HB3 LYS 34 -0.920 -13.753 -9.182 214 HG2 LYS 34 HG2 LYS 34 0.377 -12.836 -7.544 215 HG3 LYS 34 HG3 LYS 34 -0.612 -13.494 -6.238 216 HD2 LYS 34 HD2 LYS 34 0.264 -15.743 -6.746 217 HD3 LYS 34 HD3 LYS 34 1.293 -15.041 -7.998 218 HE2 LYS 34 HE2 LYS 34 2.530 -13.796 -6.385 219 HE3 LYS 34 HE3 LYS 34 1.387 -14.203 -5.106 220 HZ1 LYS 34 HZ1 LYS 34 3.162 -15.633 -4.756 221 HZ2 LYS 34 HZ2 LYS 34 3.391 -15.938 -6.404 222 HZ3 LYS 34 HZ3 LYS 34 2.061 -16.602 -5.599 223 H LEU 35 H LEU 35 -2.387 -11.564 -9.744 224 HA LEU 35 HA LEU 35 -1.142 -9.478 -8.298 225 HB2 LEU 35 HB2 LEU 35 -0.816 -9.444 -10.608 226 HB3 LEU 35 HB3 LEU 35 -2.534 -9.645 -10.945 227 HG LEU 35 HG LEU 35 -2.969 -7.355 -10.314 228 HD11 LEU 35 HD11 LEU 35 -0.465 -7.601 -8.968 229 HD12 LEU 35 HD12 LEU 35 -1.658 -6.307 -8.869 230 HD13 LEU 35 HD13 LEU 35 -0.389 -6.244 -10.091 231 HD21 LEU 35 HD21 LEU 35 -0.987 -8.036 -12.382 232 HD22 LEU 35 HD22 LEU 35 -1.092 -6.326 -11.959 233 HD23 LEU 35 HD23 LEU 35 -2.528 -7.187 -12.516 234 H LEU 36 H LEU 36 -4.489 -9.825 -9.477 235 HA LEU 36 HA LEU 36 -5.452 -7.478 -8.241 236 HB2 LEU 36 HB2 LEU 36 -6.843 -9.970 -9.195 237 HB3 LEU 36 HB3 LEU 36 -7.703 -8.568 -8.563 238 HG LEU 36 HG LEU 36 -5.886 -8.463 -10.964 239 HD11 LEU 36 HD11 LEU 36 -8.883 -8.516 -11.059 240 HD12 LEU 36 HD12 LEU 36 -7.924 -9.991 -11.168 241 HD13 LEU 36 HD13 LEU 36 -7.729 -8.722 -12.377 242 HD21 LEU 36 HD21 LEU 36 -6.328 -6.352 -9.712 243 HD22 LEU 36 HD22 LEU 36 -8.045 -6.569 -10.052 244 HD23 LEU 36 HD23 LEU 36 -6.905 -6.339 -11.378 245 H ALA 37 H ALA 37 -5.162 -10.803 -7.153 246 HA ALA 37 HA ALA 37 -6.766 -10.594 -4.841 247 HB1 ALA 37 HB1 ALA 37 -4.423 -12.422 -5.358 248 HB2 ALA 37 HB2 ALA 37 -5.641 -12.628 -4.099 249 HB3 ALA 37 HB3 ALA 37 -6.101 -12.742 -5.797 250 H ALA 38 H ALA 38 -3.561 -9.522 -5.561 251 HA ALA 38 HA ALA 38 -2.771 -9.241 -2.793 252 HB1 ALA 38 HB1 ALA 38 -0.755 -8.147 -3.751 253 HB2 ALA 38 HB2 ALA 38 -1.051 -9.769 -4.379 254 HB3 ALA 38 HB3 ALA 38 -1.455 -8.357 -5.356 255 H ALA 39 H ALA 39 -3.912 -7.173 -5.411 256 HA ALA 39 HA ALA 39 -3.567 -4.733 -3.949 257 HB1 ALA 39 HB1 ALA 39 -4.695 -3.671 -5.792 258 HB2 ALA 39 HB2 ALA 39 -3.543 -4.849 -6.422 259 HB3 ALA 39 HB3 ALA 39 -5.265 -5.229 -6.390 260 H ASN 40 H ASN 40 -4.690 -5.597 -1.991 261 HA ASN 40 HA ASN 40 -7.613 -5.529 -2.204 262 HB2 ASN 40 HB2 ASN 40 -6.689 -7.460 -1.037 263 HB3 ASN 40 HB3 ASN 40 -5.818 -6.403 0.070 264 HD21 ASN 40 HD21 ASN 40 -6.731 -6.195 1.969 265 HD22 ASN 40 HD22 ASN 40 -8.423 -6.286 2.307 266 H THR 41 H THR 41 -4.984 -3.589 -1.327 267 HA THR 41 HA THR 41 -6.618 -1.901 0.433 268 HB THR 41 HB THR 41 -4.166 -0.705 0.412 269 HG1 THR 41 HG1 THR 41 -2.783 -2.698 0.761 270 HG21 THR 41 HG21 THR 41 -3.888 -2.498 2.457 271 HG22 THR 41 HG22 THR 41 -5.628 -2.536 2.173 272 HG23 THR 41 HG23 THR 41 -4.827 -1.009 2.540 273 H THR 42 H THR 42 -6.277 0.499 0.155 274 HA THR 42 HA THR 42 -7.067 1.258 -2.457 275 HB THR 42 HB THR 42 -6.384 2.791 0.031 276 HG1 THR 42 HG1 THR 42 -8.508 2.920 0.150 277 HG21 THR 42 HG21 THR 42 -7.317 4.768 -1.485 278 HG22 THR 42 HG22 THR 42 -6.527 3.827 -2.750 279 HG23 THR 42 HG23 THR 42 -5.594 4.411 -1.373 280 HA PRO 43 HA PRO 43 -2.675 3.293 -2.700 281 HB2 PRO 43 HB2 PRO 43 -0.839 2.448 -0.888 282 HB3 PRO 43 HB3 PRO 43 -1.906 3.828 -0.603 283 HG2 PRO 43 HG2 PRO 43 -2.165 1.004 0.356 284 HG3 PRO 43 HG3 PRO 43 -2.438 2.516 1.242 285 HD2 PRO 43 HD2 PRO 43 -4.465 1.040 0.219 286 HD3 PRO 43 HD3 PRO 43 -4.540 2.809 0.343 287 H ASP 44 H ASP 44 -3.420 0.020 -2.199 288 HA ASP 44 HA ASP 44 -0.981 -1.010 -3.388 289 HB2 ASP 44 HB2 ASP 44 -3.388 -2.178 -2.098 290 HB3 ASP 44 HB3 ASP 44 -2.572 -3.169 -3.304 291 H ARG 45 H ARG 45 -4.355 -0.499 -4.265 292 HA ARG 45 HA ARG 45 -4.125 -1.777 -6.818 293 HB2 ARG 45 HB2 ARG 45 -6.242 0.202 -5.983 294 HB3 ARG 45 HB3 ARG 45 -6.364 -1.054 -7.207 295 HG2 ARG 45 HG2 ARG 45 -5.701 -2.312 -4.763 296 HG3 ARG 45 HG3 ARG 45 -7.021 -1.184 -4.449 297 HD2 ARG 45 HD2 ARG 45 -7.931 -2.277 -6.709 298 HD3 ARG 45 HD3 ARG 45 -6.956 -3.626 -6.125 299 HE ARG 45 HE ARG 45 -8.488 -2.791 -3.984 300 HH11 ARG 45 HH11 ARG 45 -9.038 -4.057 -7.181 301 HH12 ARG 45 HH12 ARG 45 -10.530 -4.829 -6.760 302 HH21 ARG 45 HH21 ARG 45 -10.452 -3.804 -3.418 303 HH22 ARG 45 HH22 ARG 45 -11.334 -4.684 -4.619 304 H GLN 46 H GLN 46 -4.081 1.565 -5.660 305 HA GLN 46 HA GLN 46 -4.080 2.895 -8.095 306 HB2 GLN 46 HB2 GLN 46 -2.605 3.647 -5.566 307 HB3 GLN 46 HB3 GLN 46 -2.945 4.735 -6.905 308 HG2 GLN 46 HG2 GLN 46 -5.244 4.738 -6.467 309 HG3 GLN 46 HG3 GLN 46 -5.134 3.316 -5.431 310 HE21 GLN 46 HE21 GLN 46 -6.314 5.870 -4.823 311 HE22 GLN 46 HE22 GLN 46 -5.463 6.502 -3.459 312 H ALA 47 H ALA 47 -1.287 1.749 -6.210 313 HA ALA 47 HA ALA 47 0.668 2.566 -8.076 314 HB1 ALA 47 HB1 ALA 47 0.618 0.756 -5.719 315 HB2 ALA 47 HB2 ALA 47 1.989 0.654 -6.824 316 HB3 ALA 47 HB3 ALA 47 1.608 2.182 -6.031 317 H ALA 48 H ALA 48 -0.920 -0.565 -7.528 318 HA ALA 48 HA ALA 48 0.440 -2.126 -9.346 319 HB1 ALA 48 HB1 ALA 48 -1.201 -3.042 -7.816 320 HB2 ALA 48 HB2 ALA 48 -2.500 -2.218 -8.680 321 HB3 ALA 48 HB3 ALA 48 -1.591 -3.505 -9.473 322 H CYS 49 H CYS 49 -2.560 -0.298 -9.977 323 HA CYS 49 HA CYS 49 -2.666 -0.835 -12.728 324 HB2 CYS 49 HB2 CYS 49 -4.576 0.030 -11.429 325 HB3 CYS 49 HB3 CYS 49 -3.744 1.571 -11.244 326 H ASN 50 H ASN 50 -1.631 2.173 -11.108 327 HA ASN 50 HA ASN 50 -0.736 3.580 -13.279 328 HB2 ASN 50 HB2 ASN 50 0.451 3.466 -10.500 329 HB3 ASN 50 HB3 ASN 50 0.880 4.678 -11.704 330 HD21 ASN 50 HD21 ASN 50 -0.326 5.036 -9.095 331 HD22 ASN 50 HD22 ASN 50 -1.834 5.836 -9.361 332 H CYS 51 H CYS 51 1.006 1.092 -11.465 333 HA CYS 51 HA CYS 51 3.501 1.325 -12.671 334 HB2 CYS 51 HB2 CYS 51 2.027 -0.854 -11.283 335 HB3 CYS 51 HB3 CYS 51 3.445 -1.312 -12.221 336 H LEU 52 H LEU 52 0.744 -0.709 -13.628 337 HA LEU 52 HA LEU 52 2.032 -1.725 -15.959 338 HB2 LEU 52 HB2 LEU 52 -0.907 -1.629 -15.299 339 HB3 LEU 52 HB3 LEU 52 -0.149 -2.632 -16.533 340 HG LEU 52 HG LEU 52 0.158 -2.894 -13.544 341 HD11 LEU 52 HD11 LEU 52 -1.466 -4.239 -15.611 342 HD12 LEU 52 HD12 LEU 52 -1.788 -3.986 -13.896 343 HD13 LEU 52 HD13 LEU 52 -0.702 -5.278 -14.408 344 HD21 LEU 52 HD21 LEU 52 2.152 -3.784 -13.992 345 HD22 LEU 52 HD22 LEU 52 1.852 -3.789 -15.730 346 HD23 LEU 52 HD23 LEU 52 1.269 -5.121 -14.730 347 H LYS 53 H LYS 53 0.084 1.069 -15.252 348 HA LYS 53 HA LYS 53 -0.710 1.719 -17.879 349 HB2 LYS 53 HB2 LYS 53 -0.213 3.563 -15.534 350 HB3 LYS 53 HB3 LYS 53 -1.105 3.979 -16.991 351 HG2 LYS 53 HG2 LYS 53 -2.182 1.592 -15.809 352 HG3 LYS 53 HG3 LYS 53 -2.116 2.899 -14.625 353 HD2 LYS 53 HD2 LYS 53 -4.238 2.954 -15.786 354 HD3 LYS 53 HD3 LYS 53 -3.281 4.370 -16.230 355 HE2 LYS 53 HE2 LYS 53 -4.215 3.565 -18.242 356 HE3 LYS 53 HE3 LYS 53 -2.528 3.055 -18.257 357 HZ1 LYS 53 HZ1 LYS 53 -3.887 1.005 -17.039 358 HZ2 LYS 53 HZ2 LYS 53 -3.283 1.015 -18.619 359 HZ3 LYS 53 HZ3 LYS 53 -4.887 1.466 -18.324 360 H SER 54 H SER 54 2.171 2.502 -15.999 361 HA SER 54 HA SER 54 3.259 4.276 -17.963 362 HB2 SER 54 HB2 SER 54 4.106 4.730 -15.852 363 HB3 SER 54 HB3 SER 54 4.263 3.024 -15.434 364 HG SER 54 HG SER 54 6.045 4.698 -16.664 365 H ALA 55 H ALA 55 3.841 0.900 -17.053 366 HA ALA 55 HA ALA 55 5.922 0.450 -18.923 367 HB1 ALA 55 HB1 ALA 55 4.067 -1.516 -17.585 368 HB2 ALA 55 HB2 ALA 55 5.539 -1.934 -18.463 369 HB3 ALA 55 HB3 ALA 55 5.635 -0.979 -16.983 370 H ALA 56 H ALA 56 2.569 0.802 -19.297 371 HA ALA 56 HA ALA 56 2.393 -0.822 -21.698 372 HB1 ALA 56 HB1 ALA 56 0.048 0.499 -21.643 373 HB2 ALA 56 HB2 ALA 56 0.356 -0.988 -20.745 374 HB3 ALA 56 HB3 ALA 56 0.487 0.574 -19.937 375 H GLY 57 H GLY 57 2.956 2.472 -20.806 376 HA2 GLY 57 HA2 GLY 57 2.171 3.692 -23.252 377 HA3 GLY 57 HA3 GLY 57 3.229 4.395 -22.038 378 H SER 58 H SER 58 5.005 1.962 -22.275 379 HA SER 58 HA SER 58 6.589 2.998 -24.486 380 HB2 SER 58 HB2 SER 58 7.423 2.353 -22.078 381 HB3 SER 58 HB3 SER 58 7.477 0.723 -22.748 382 HG SER 58 HG SER 58 9.370 1.361 -23.424 383 H ILE 59 H ILE 59 4.149 0.932 -24.371 384 HA ILE 59 HA ILE 59 5.363 -1.058 -26.163 385 HB ILE 59 HB ILE 59 2.607 -1.271 -24.982 386 HG12 ILE 59 HG12 ILE 59 5.210 -2.199 -23.749 387 HG13 ILE 59 HG13 ILE 59 4.144 -0.953 -23.109 388 HG21 ILE 59 HG21 ILE 59 4.037 -3.729 -25.275 389 HG22 ILE 59 HG22 ILE 59 2.554 -3.203 -26.070 390 HG23 ILE 59 HG23 ILE 59 4.120 -2.817 -26.782 391 HD11 ILE 59 HD11 ILE 59 3.987 -3.854 -22.890 392 HD12 ILE 59 HD12 ILE 59 3.305 -2.594 -21.861 393 HD13 ILE 59 HD13 ILE 59 2.461 -3.087 -23.328 394 H THR 60 H THR 60 4.725 -1.256 -28.239 395 HA THR 60 HA THR 60 2.809 0.732 -29.232 396 HB THR 60 HB THR 60 5.173 0.585 -30.182 397 HG1 THR 60 HG1 THR 60 3.078 0.243 -32.079 398 HG21 THR 60 HG21 THR 60 4.059 -1.737 -31.739 399 HG22 THR 60 HG22 THR 60 5.069 -1.957 -30.309 400 HG23 THR 60 HG23 THR 60 5.711 -1.121 -31.723 401 H LYS 61 H LYS 61 3.387 -2.690 -28.984 402 HA LYS 61 HA LYS 61 1.143 -3.320 -30.739 403 HB2 LYS 61 HB2 LYS 61 3.307 -4.924 -29.425 404 HB3 LYS 61 HB3 LYS 61 1.847 -5.728 -29.985 405 HG2 LYS 61 HG2 LYS 61 2.253 -5.092 -32.233 406 HG3 LYS 61 HG3 LYS 61 3.544 -3.988 -31.754 407 HD2 LYS 61 HD2 LYS 61 4.930 -5.833 -31.059 408 HD3 LYS 61 HD3 LYS 61 3.618 -6.978 -31.351 409 HE2 LYS 61 HE2 LYS 61 3.672 -6.125 -33.767 410 HE3 LYS 61 HE3 LYS 61 5.231 -5.416 -33.346 411 HZ1 LYS 61 HZ1 LYS 61 5.966 -7.414 -34.039 412 HZ2 LYS 61 HZ2 LYS 61 4.503 -8.205 -33.727 413 HZ3 LYS 61 HZ3 LYS 61 5.581 -7.889 -32.461 414 H LEU 62 H LEU 62 1.111 -2.103 -27.882 415 HA LEU 62 HA LEU 62 -0.158 -3.972 -26.191 416 HB2 LEU 62 HB2 LEU 62 0.822 -1.998 -25.264 417 HB3 LEU 62 HB3 LEU 62 -0.205 -0.962 -26.253 418 HG LEU 62 HG LEU 62 -2.158 -2.018 -24.936 419 HD11 LEU 62 HD11 LEU 62 -0.831 -2.340 -22.513 420 HD12 LEU 62 HD12 LEU 62 0.118 -3.264 -23.676 421 HD13 LEU 62 HD13 LEU 62 -1.602 -3.597 -23.479 422 HD21 LEU 62 HD21 LEU 62 -0.204 -0.142 -23.607 423 HD22 LEU 62 HD22 LEU 62 -1.893 -0.358 -23.148 424 HD23 LEU 62 HD23 LEU 62 -1.486 0.309 -24.730 425 H ASN 63 H ASN 63 -2.132 -4.805 -26.275 426 HA ASN 63 HA ASN 63 -4.129 -3.507 -27.997 427 HB2 ASN 63 HB2 ASN 63 -3.801 -6.366 -27.084 428 HB3 ASN 63 HB3 ASN 63 -5.266 -5.783 -27.869 429 HD21 ASN 63 HD21 ASN 63 -5.350 -6.060 -29.969 430 HD22 ASN 63 HD22 ASN 63 -3.999 -6.204 -31.035 431 H THR 64 H THR 64 -4.992 -2.026 -26.564 432 HA THR 64 HA THR 64 -5.642 -2.388 -23.905 433 HB THR 64 HB THR 64 -7.146 -0.532 -24.090 434 HG1 THR 64 HG1 THR 64 -7.219 -1.258 -26.827 435 HG21 THR 64 HG21 THR 64 -5.518 0.936 -24.545 436 HG22 THR 64 HG22 THR 64 -5.415 0.417 -26.227 437 HG23 THR 64 HG23 THR 64 -4.529 -0.457 -24.978 438 H ASN 65 H ASN 65 -7.261 -3.579 -26.737 439 HA ASN 65 HA ASN 65 -9.793 -4.102 -25.611 440 HB2 ASN 65 HB2 ASN 65 -8.297 -5.013 -28.016 441 HB3 ASN 65 HB3 ASN 65 -9.665 -5.995 -27.500 442 HD21 ASN 65 HD21 ASN 65 -8.671 -3.242 -29.167 443 HD22 ASN 65 HD22 ASN 65 -10.228 -2.550 -29.456 444 H ASN 66 H ASN 66 -6.855 -6.063 -25.862 445 HA ASN 66 HA ASN 66 -8.035 -8.356 -24.614 446 HB2 ASN 66 HB2 ASN 66 -5.181 -7.616 -25.268 447 HB3 ASN 66 HB3 ASN 66 -5.621 -9.133 -24.490 448 HD21 ASN 66 HD21 ASN 66 -4.618 -8.117 -27.264 449 HD22 ASN 66 HD22 ASN 66 -5.546 -9.072 -28.364 450 H ALA 67 H ALA 67 -6.567 -5.455 -23.509 451 HA ALA 67 HA ALA 67 -5.730 -6.425 -20.948 452 HB1 ALA 67 HB1 ALA 67 -5.035 -4.270 -22.325 453 HB2 ALA 67 HB2 ALA 67 -6.313 -3.544 -21.350 454 HB3 ALA 67 HB3 ALA 67 -4.941 -4.325 -20.565 455 H ALA 68 H ALA 68 -8.623 -4.899 -22.238 456 HA ALA 68 HA ALA 68 -9.850 -4.493 -19.680 457 HB1 ALA 68 HB1 ALA 68 -11.700 -4.615 -21.910 458 HB2 ALA 68 HB2 ALA 68 -11.319 -3.275 -20.828 459 HB3 ALA 68 HB3 ALA 68 -10.315 -3.575 -22.246 460 H ALA 69 H ALA 69 -10.063 -6.937 -22.221 461 HA ALA 69 HA ALA 69 -12.089 -8.427 -20.777 462 HB1 ALA 69 HB1 ALA 69 -12.350 -8.443 -23.127 463 HB2 ALA 69 HB2 ALA 69 -10.665 -8.899 -23.384 464 HB3 ALA 69 HB3 ALA 69 -11.795 -10.057 -22.682 465 H LEU 70 H LEU 70 -8.763 -8.152 -20.647 466 HA LEU 70 HA LEU 70 -7.831 -10.751 -20.352 467 HB2 LEU 70 HB2 LEU 70 -6.119 -9.252 -20.373 468 HB3 LEU 70 HB3 LEU 70 -6.985 -8.084 -19.377 469 HG LEU 70 HG LEU 70 -6.495 -9.436 -17.386 470 HD11 LEU 70 HD11 LEU 70 -6.032 -11.590 -17.671 471 HD12 LEU 70 HD12 LEU 70 -4.425 -11.094 -18.200 472 HD13 LEU 70 HD13 LEU 70 -5.700 -11.363 -19.389 473 HD21 LEU 70 HD21 LEU 70 -4.473 -8.476 -17.095 474 HD22 LEU 70 HD22 LEU 70 -4.859 -7.708 -18.635 475 HD23 LEU 70 HD23 LEU 70 -3.822 -9.135 -18.596 476 HA PRO 71 HA PRO 71 -8.795 -10.481 -15.626 477 HB2 PRO 71 HB2 PRO 71 -10.326 -8.404 -14.782 478 HB3 PRO 71 HB3 PRO 71 -8.563 -8.324 -14.869 479 HG2 PRO 71 HG2 PRO 71 -10.604 -7.288 -16.799 480 HG3 PRO 71 HG3 PRO 71 -9.118 -6.513 -16.219 481 HD2 PRO 71 HD2 PRO 71 -9.278 -7.735 -18.630 482 HD3 PRO 71 HD3 PRO 71 -7.781 -7.698 -17.675 483 H GLY 72 H GLY 72 -11.201 -9.444 -17.953 484 HA2 GLY 72 HA2 GLY 72 -13.462 -10.443 -16.513 485 HA3 GLY 72 HA3 GLY 72 -13.431 -9.974 -18.206 486 H LYS 73 H LYS 73 -11.776 -11.636 -19.421 487 HA LYS 73 HA LYS 73 -13.216 -14.021 -19.659 488 HB2 LYS 73 HB2 LYS 73 -10.604 -13.015 -20.668 489 HB3 LYS 73 HB3 LYS 73 -10.892 -14.747 -20.763 490 HG2 LYS 73 HG2 LYS 73 -12.671 -14.500 -22.234 491 HG3 LYS 73 HG3 LYS 73 -12.912 -12.803 -21.810 492 HD2 LYS 73 HD2 LYS 73 -10.490 -12.535 -22.773 493 HD3 LYS 73 HD3 LYS 73 -10.871 -14.046 -23.602 494 HE2 LYS 73 HE2 LYS 73 -12.648 -11.617 -23.699 495 HE3 LYS 73 HE3 LYS 73 -11.374 -11.926 -24.878 496 HZ1 LYS 73 HZ1 LYS 73 -12.461 -14.035 -25.412 497 HZ2 LYS 73 HZ2 LYS 73 -13.482 -12.718 -25.697 498 HZ3 LYS 73 HZ3 LYS 73 -13.706 -13.679 -24.323 499 H CYS 74 H CYS 74 -10.749 -13.105 -17.453 500 HA CYS 74 HA CYS 74 -10.086 -15.850 -16.748 501 HB2 CYS 74 HB2 CYS 74 -9.104 -13.178 -15.743 502 HB3 CYS 74 HB3 CYS 74 -8.603 -14.711 -15.037 503 H GLY 75 H GLY 75 -12.734 -14.248 -16.247 504 HA2 GLY 75 HA2 GLY 75 -14.381 -14.248 -14.648 505 HA3 GLY 75 HA3 GLY 75 -13.575 -15.667 -13.997 506 H VAL 76 H VAL 76 -13.328 -12.119 -14.046 507 HA VAL 76 HA VAL 76 -12.618 -12.225 -11.195 508 HB VAL 76 HB VAL 76 -11.317 -10.324 -13.145 509 HG11 VAL 76 HG11 VAL 76 -9.785 -10.636 -10.827 510 HG12 VAL 76 HG12 VAL 76 -10.748 -9.233 -11.293 511 HG13 VAL 76 HG13 VAL 76 -11.452 -10.489 -10.275 512 HG21 VAL 76 HG21 VAL 76 -10.145 -12.814 -11.910 513 HG22 VAL 76 HG22 VAL 76 -10.633 -12.646 -13.596 514 HG23 VAL 76 HG23 VAL 76 -9.307 -11.672 -12.961 515 H ASN 77 H ASN 77 -13.329 -10.491 -9.946 516 HA ASN 77 HA ASN 77 -15.665 -9.160 -10.945 517 HB2 ASN 77 HB2 ASN 77 -14.231 -8.835 -8.299 518 HB3 ASN 77 HB3 ASN 77 -15.842 -8.231 -8.678 519 HD21 ASN 77 HD21 ASN 77 -17.445 -9.878 -9.324 520 HD22 ASN 77 HD22 ASN 77 -17.391 -11.414 -8.534 521 H ILE 78 H ILE 78 -15.507 -7.443 -12.225 522 HA ILE 78 HA ILE 78 -13.965 -5.152 -11.364 523 HB ILE 78 HB ILE 78 -13.020 -4.952 -13.776 524 HG12 ILE 78 HG12 ILE 78 -12.758 -7.900 -13.728 525 HG13 ILE 78 HG13 ILE 78 -14.343 -7.279 -14.175 526 HG21 ILE 78 HG21 ILE 78 -11.787 -6.959 -11.896 527 HG22 ILE 78 HG22 ILE 78 -10.953 -5.948 -13.076 528 HG23 ILE 78 HG23 ILE 78 -11.722 -5.211 -11.670 529 HD11 ILE 78 HD11 ILE 78 -13.463 -6.122 -16.034 530 HD12 ILE 78 HD12 ILE 78 -11.803 -6.377 -15.495 531 HD13 ILE 78 HD13 ILE 78 -12.763 -7.740 -16.069 532 HA PRO 79 HA PRO 79 -17.972 -4.007 -13.273 533 HB2 PRO 79 HB2 PRO 79 -18.422 -1.938 -11.573 534 HB3 PRO 79 HB3 PRO 79 -18.834 -3.611 -11.180 535 HG2 PRO 79 HG2 PRO 79 -16.446 -2.005 -10.356 536 HG3 PRO 79 HG3 PRO 79 -17.444 -3.104 -9.386 537 HD2 PRO 79 HD2 PRO 79 -15.045 -3.835 -10.409 538 HD3 PRO 79 HD3 PRO 79 -16.381 -4.984 -10.193 539 H TYR 80 H TYR 80 -14.924 -2.601 -13.007 540 HA TYR 80 HA TYR 80 -15.522 -0.009 -14.058 541 HB2 TYR 80 HB2 TYR 80 -12.901 -1.518 -13.965 542 HB3 TYR 80 HB3 TYR 80 -13.081 0.191 -14.347 543 HD1 TYR 80 HD1 TYR 80 -13.200 1.806 -12.635 544 HD2 TYR 80 HD2 TYR 80 -13.550 -2.320 -11.659 545 HE1 TYR 80 HE1 TYR 80 -13.027 2.363 -10.245 546 HE2 TYR 80 HE2 TYR 80 -13.379 -1.775 -9.267 547 HH TYR 80 HH TYR 80 -12.625 -0.067 -7.818 548 H LYS 81 H LYS 81 -15.234 0.768 -16.141 549 HA LYS 81 HA LYS 81 -15.690 -1.156 -18.236 550 HB2 LYS 81 HB2 LYS 81 -15.486 1.853 -18.203 551 HB3 LYS 81 HB3 LYS 81 -15.715 0.935 -19.686 552 HG2 LYS 81 HG2 LYS 81 -17.851 0.263 -19.094 553 HG3 LYS 81 HG3 LYS 81 -17.578 0.568 -17.377 554 HD2 LYS 81 HD2 LYS 81 -18.904 2.363 -17.958 555 HD3 LYS 81 HD3 LYS 81 -17.288 3.044 -18.156 556 HE2 LYS 81 HE2 LYS 81 -18.495 1.702 -20.507 557 HE3 LYS 81 HE3 LYS 81 -19.184 3.251 -20.023 558 HZ1 LYS 81 HZ1 LYS 81 -16.278 2.862 -20.438 559 HZ2 LYS 81 HZ2 LYS 81 -17.126 4.320 -20.320 560 HZ3 LYS 81 HZ3 LYS 81 -17.318 3.338 -21.685 561 H ILE 82 H ILE 82 -12.959 -0.160 -16.736 562 HA ILE 82 HA ILE 82 -10.738 -0.254 -17.222 563 HB ILE 82 HB ILE 82 -11.851 -1.955 -19.433 564 HG12 ILE 82 HG12 ILE 82 -11.776 -2.741 -17.032 565 HG13 ILE 82 HG13 ILE 82 -10.929 -3.770 -18.183 566 HG21 ILE 82 HG21 ILE 82 -9.998 -1.337 -20.590 567 HG22 ILE 82 HG22 ILE 82 -9.108 -0.882 -19.139 568 HG23 ILE 82 HG23 ILE 82 -9.267 -2.582 -19.578 569 HD11 ILE 82 HD11 ILE 82 -9.183 -1.762 -17.056 570 HD12 ILE 82 HD12 ILE 82 -9.931 -2.767 -15.814 571 HD13 ILE 82 HD13 ILE 82 -9.005 -3.516 -17.114 572 H SER 83 H SER 83 -10.127 1.806 -17.617 573 HA SER 83 HA SER 83 -10.022 2.634 -20.432 574 HB2 SER 83 HB2 SER 83 -11.407 3.993 -18.217 575 HB3 SER 83 HB3 SER 83 -10.345 5.036 -19.163 576 HG SER 83 HG SER 83 -11.918 5.076 -20.545 577 H THR 84 H THR 84 -7.947 2.808 -20.927 578 HA THR 84 HA THR 84 -5.841 2.979 -19.094 579 HB THR 84 HB THR 84 -4.400 3.508 -21.015 580 HG1 THR 84 HG1 THR 84 -5.732 3.478 -23.112 581 HG21 THR 84 HG21 THR 84 -6.069 1.229 -20.724 582 HG22 THR 84 HG22 THR 84 -4.470 1.328 -21.463 583 HG23 THR 84 HG23 THR 84 -5.913 1.565 -22.448 584 H THR 85 H THR 85 -7.931 5.401 -20.295 585 HA THR 85 HA THR 85 -6.093 7.586 -19.745 586 HB THR 85 HB THR 85 -7.659 7.715 -21.672 587 HG1 THR 85 HG1 THR 85 -6.892 9.593 -20.242 588 HG21 THR 85 HG21 THR 85 -9.547 6.841 -19.813 589 HG22 THR 85 HG22 THR 85 -9.853 7.358 -21.471 590 HG23 THR 85 HG23 THR 85 -9.981 8.516 -20.148 591 H THR 86 H THR 86 -8.085 5.647 -17.944 592 HA THR 86 HA THR 86 -9.203 7.607 -16.174 593 HB THR 86 HB THR 86 -8.889 4.616 -15.854 594 HG1 THR 86 HG1 THR 86 -11.276 6.074 -16.333 595 HG21 THR 86 HG21 THR 86 -10.462 6.593 -14.196 596 HG22 THR 86 HG22 THR 86 -9.047 5.680 -13.671 597 HG23 THR 86 HG23 THR 86 -10.550 4.838 -14.047 598 H ASN 87 H ASN 87 -8.536 8.178 -14.122 599 HA ASN 87 HA ASN 87 -5.695 7.870 -13.618 600 HB2 ASN 87 HB2 ASN 87 -7.211 10.020 -13.352 601 HB3 ASN 87 HB3 ASN 87 -7.508 9.343 -11.753 602 HD21 ASN 87 HD21 ASN 87 -6.384 11.673 -11.672 603 HD22 ASN 87 HD22 ASN 87 -4.691 11.591 -11.339 604 H CYS 88 H CYS 88 -5.258 5.880 -12.814 605 HA CYS 88 HA CYS 88 -6.914 4.512 -10.955 606 HB2 CYS 88 HB2 CYS 88 -3.975 4.016 -11.447 607 HB3 CYS 88 HB3 CYS 88 -5.172 2.869 -10.855 608 H ASN 89 H ASN 89 -4.913 7.150 -10.574 609 HA ASN 89 HA ASN 89 -3.872 6.552 -7.967 610 HB2 ASN 89 HB2 ASN 89 -3.603 8.663 -9.922 611 HB3 ASN 89 HB3 ASN 89 -3.865 9.338 -8.317 612 HD21 ASN 89 HD21 ASN 89 -1.535 8.636 -10.376 613 HD22 ASN 89 HD22 ASN 89 -0.258 8.196 -9.299 614 H THR 90 H THR 90 -6.813 7.823 -9.229 615 HA THR 90 HA THR 90 -7.619 8.822 -6.590 616 HB THR 90 HB THR 90 -9.420 9.976 -7.662 617 HG1 THR 90 HG1 THR 90 -9.847 9.689 -9.884 618 HG21 THR 90 HG21 THR 90 -7.287 10.420 -9.691 619 HG22 THR 90 HG22 THR 90 -6.895 10.703 -7.995 620 HG23 THR 90 HG23 THR 90 -8.216 11.590 -8.755 621 H VAL 91 H VAL 91 -7.392 6.012 -7.018 622 HA VAL 91 HA VAL 91 -10.220 5.182 -6.964 623 HB VAL 91 HB VAL 91 -9.599 3.016 -7.691 624 HG11 VAL 91 HG11 VAL 91 -9.635 4.807 -9.422 625 HG12 VAL 91 HG12 VAL 91 -7.878 4.911 -9.283 626 HG13 VAL 91 HG13 VAL 91 -8.633 3.420 -9.846 627 HG21 VAL 91 HG21 VAL 91 -6.979 3.783 -6.655 628 HG22 VAL 91 HG22 VAL 91 -7.717 2.188 -6.803 629 HG23 VAL 91 HG23 VAL 91 -6.906 2.916 -8.189 630 H LYS 92 H LYS 92 -10.936 3.815 -5.327 631 HA LYS 92 HA LYS 92 -9.302 3.886 -2.901 632 HB2 LYS 92 HB2 LYS 92 -11.291 3.630 -1.669 633 HB3 LYS 92 HB3 LYS 92 -11.718 4.715 -2.986 634 HG2 LYS 92 HG2 LYS 92 -12.439 2.499 -4.176 635 HG3 LYS 92 HG3 LYS 92 -12.517 1.884 -2.523 636 HD2 LYS 92 HD2 LYS 92 -13.934 4.357 -3.515 637 HD3 LYS 92 HD3 LYS 92 -14.683 2.769 -3.334 638 HE2 LYS 92 HE2 LYS 92 -13.813 2.927 -0.892 639 HE3 LYS 92 HE3 LYS 92 -13.698 4.654 -1.227 640 HZ1 LYS 92 HZ1 LYS 92 -16.113 2.949 -1.211 641 HZ2 LYS 92 HZ2 LYS 92 -16.099 4.457 -1.977 642 HZ3 LYS 92 HZ3 LYS 92 -15.809 4.351 -0.314 643 H PHE 93 H PHE 93 -10.373 1.800 -1.474 644 HA PHE 93 HA PHE 93 -9.104 -0.468 -2.788 645 HB2 PHE 93 HB2 PHE 93 -8.987 -1.482 -0.639 646 HB3 PHE 93 HB3 PHE 93 -8.591 0.217 -0.400 647 HD1 PHE 93 HD1 PHE 93 -10.873 -2.466 0.387 648 HD2 PHE 93 HD2 PHE 93 -10.277 1.744 0.591 649 HE1 PHE 93 HE1 PHE 93 -12.643 -2.301 2.088 650 HE2 PHE 93 HE2 PHE 93 -12.044 1.915 2.293 651 HZ PHE 93 HZ PHE 93 -13.230 -0.108 3.045 652 HC11 PGM 101 H11 PPG 103 9.385 -2.590 -20.865 653 HC12 PGM 101 H12 PPG 103 8.877 -1.168 -21.503 654 HO1 PGM 101 H1 PPG 103 11.334 -2.444 -21.944 655 HC2 PGM 101 H2A PPG 103 11.200 -1.131 -19.737 656 HO2 PGM 101 H2 PPG 103 10.318 0.647 -21.177 657 HC31 PGM 101 H31 PPG 103 8.338 -1.093 -19.077 658 HC32 PGM 101 H32 PPG 103 9.459 -0.512 -18.030 659 HC71 PGM 101 H91 PPG 103 7.729 -5.287 -17.883 660 HC72 PGM 101 H92 PPG 103 8.310 -4.306 -19.041 661 HC8 PGM 101 H10A PPG 103 6.830 -5.894 -20.010 662 HO8 PGM 101 H10 PPG 103 5.129 -4.208 -20.727 663 HC91 PGM 101 H111 PPG 103 5.003 -4.724 -18.046 664 HC92 PGM 101 H112 PPG 103 5.274 -6.315 -18.260 665 HCB1 PGM 101 H151 PPG 103 1.139 -5.530 -19.797 666 HCB2 PGM 101 H152 PPG 103 1.961 -5.005 -21.104 667 HCC1 PGM 101 H161 PPG 103 0.484 -3.309 -21.026 668 HCC2 PGM 101 H162 PPG 103 1.490 -2.717 -19.887 669 HCD1 PGM 101 H171 PPG 103 0.263 -3.848 -18.188 670 HCD2 PGM 101 H172 PPG 103 -0.719 -4.485 -19.317 671 HCE1 PGM 101 H181 PPG 103 -0.571 -1.649 -19.099 672 HCE2 PGM 101 H182 PPG 103 -1.474 -2.456 -18.012 673 HCF1 PGM 101 H191 PPG 103 -2.515 -3.431 -20.099 674 HCF2 PGM 101 H192 PPG 103 -1.959 -2.051 -20.763 675 HCG1 PGM 101 H201 PPG 103 -4.110 -1.561 -20.294 676 HCG2 PGM 101 H202 PPG 103 -3.294 -0.881 -19.061 677 HCH1 PGM 101 H211 PPG 103 -3.815 -3.101 -17.903 678 HCH2 PGM 101 H212 PPG 103 -5.053 -3.122 -18.969 679 HCI1 PGM 101 H221 PPG 103 -5.386 -0.710 -18.251 680 HCI2 PGM 101 H222 PPG 103 -4.533 -1.155 -16.927 681 HCJ1 PGM 101 H231 PPG 103 -6.996 -2.387 -17.770 682 HCJ2 PGM 101 H232 PPG 103 -6.873 -1.329 -16.527 683 HCK1 PGM 101 H241 PPG 103 -5.199 -3.568 -16.248 684 HCK2 PGM 101 H242 PPG 103 -6.788 -3.944 -16.219 685 HCL1 PGM 101 H251 PPG 103 -7.169 -2.680 -14.329 686 HCL2 PGM 101 H252 PPG 103 -5.815 -1.789 -14.548 687 HCM1 PGM 101 H261 PPG 103 -4.469 -3.430 -13.703 688 HCM2 PGM 101 H262 PPG 103 -5.417 -4.626 -14.277 689 HCN1 PGM 101 H271 PPG 103 -6.847 -4.501 -12.524 690 HCN2 PGM 101 H272 PPG 103 -6.551 -2.920 -12.270 691 HCO1 PGM 101 H281 PPG 103 -5.546 -4.269 -10.567 692 HCO2 PGM 101 H282 PPG 103 -4.424 -3.411 -11.396 693 HCP1 PGM 101 H291 PPG 103 -3.597 -5.545 -10.880 694 HCP2 PGM 101 H292 PPG 103 -4.850 -6.233 -11.670 695 HCP3 PGM 101 H293 PPG 103 -3.739 -5.381 -12.503 Start of MODEL 2 1 H ALA 1 H ALA 1 1.702 0.214 -1.459 2 HA ALA 1 HA ALA 1 3.978 0.155 -1.448 3 HB1 ALA 1 HB1 ALA 1 4.993 -0.294 0.569 4 HB2 ALA 1 HB2 ALA 1 3.322 -0.029 1.070 5 HB3 ALA 1 HB3 ALA 1 3.945 -1.671 0.913 6 H ILE 2 H ILE 2 2.697 -1.743 -3.097 7 HA ILE 2 HA ILE 2 3.982 -4.296 -2.792 8 HB ILE 2 HB ILE 2 2.948 -4.906 -4.880 9 HG12 ILE 2 HG12 ILE 2 2.218 -1.981 -5.141 10 HG13 ILE 2 HG13 ILE 2 3.396 -2.841 -6.126 11 HG21 ILE 2 HG21 ILE 2 0.687 -3.353 -3.911 12 HG22 ILE 2 HG22 ILE 2 0.931 -5.099 -3.946 13 HG23 ILE 2 HG23 ILE 2 1.583 -4.144 -2.614 14 HD11 ILE 2 HD11 ILE 2 1.664 -4.209 -7.078 15 HD12 ILE 2 HD12 ILE 2 0.461 -3.485 -6.010 16 HD13 ILE 2 HD13 ILE 2 1.238 -2.507 -7.255 17 H SER 3 H SER 3 4.924 -5.092 -5.121 18 HA SER 3 HA SER 3 7.181 -3.276 -5.639 19 HB2 SER 3 HB2 SER 3 7.040 -6.273 -6.051 20 HB3 SER 3 HB3 SER 3 8.464 -5.256 -6.273 21 HG SER 3 HG SER 3 7.880 -6.470 -4.116 22 H CYS 4 H CYS 4 6.942 -2.171 -7.460 23 HA CYS 4 HA CYS 4 5.156 -2.653 -9.506 24 HB2 CYS 4 HB2 CYS 4 6.531 -0.554 -9.077 25 HB3 CYS 4 HB3 CYS 4 7.846 -1.353 -9.934 26 H GLY 5 H GLY 5 8.320 -4.027 -8.979 27 HA2 GLY 5 HA2 GLY 5 8.777 -5.023 -11.585 28 HA3 GLY 5 HA3 GLY 5 9.512 -5.632 -10.109 29 H ALA 6 H ALA 6 6.933 -6.265 -8.877 30 HA ALA 6 HA ALA 6 6.577 -8.863 -10.104 31 HB1 ALA 6 HB1 ALA 6 5.078 -7.813 -7.721 32 HB2 ALA 6 HB2 ALA 6 5.429 -9.488 -8.150 33 HB3 ALA 6 HB3 ALA 6 6.727 -8.427 -7.604 34 H VAL 7 H VAL 7 5.110 -5.816 -10.307 35 HA VAL 7 HA VAL 7 2.423 -6.642 -10.802 36 HB VAL 7 HB VAL 7 3.790 -4.074 -11.621 37 HG11 VAL 7 HG11 VAL 7 1.288 -5.074 -12.336 38 HG12 VAL 7 HG12 VAL 7 0.967 -3.902 -11.056 39 HG13 VAL 7 HG13 VAL 7 1.857 -3.413 -12.499 40 HG21 VAL 7 HG21 VAL 7 2.026 -4.451 -9.223 41 HG22 VAL 7 HG22 VAL 7 3.768 -4.713 -9.138 42 HG23 VAL 7 HG23 VAL 7 3.135 -3.128 -9.583 43 H THR 8 H THR 8 5.093 -5.614 -12.920 44 HA THR 8 HA THR 8 3.633 -6.166 -15.321 45 HB THR 8 HB THR 8 5.754 -5.745 -16.487 46 HG1 THR 8 HG1 THR 8 7.615 -5.795 -15.451 47 HG21 THR 8 HG21 THR 8 4.335 -3.928 -14.859 48 HG22 THR 8 HG22 THR 8 5.300 -3.573 -16.292 49 HG23 THR 8 HG23 THR 8 6.045 -3.532 -14.694 50 H SER 9 H SER 9 6.229 -7.798 -13.537 51 HA SER 9 HA SER 9 6.769 -9.868 -15.290 52 HB2 SER 9 HB2 SER 9 7.797 -9.230 -12.944 53 HB3 SER 9 HB3 SER 9 6.666 -10.449 -12.356 54 HG SER 9 HG SER 9 7.631 -11.923 -13.828 55 H ASP 10 H ASP 10 4.233 -9.641 -12.833 56 HA ASP 10 HA ASP 10 3.231 -12.235 -13.006 57 HB2 ASP 10 HB2 ASP 10 1.984 -9.599 -12.280 58 HB3 ASP 10 HB3 ASP 10 1.010 -11.065 -12.339 59 H LEU 11 H LEU 11 2.991 -9.598 -15.216 60 HA LEU 11 HA LEU 11 0.880 -10.955 -16.736 61 HB2 LEU 11 HB2 LEU 11 1.994 -8.168 -16.807 62 HB3 LEU 11 HB3 LEU 11 0.981 -8.797 -18.105 63 HG LEU 11 HG LEU 11 0.201 -8.339 -15.230 64 HD11 LEU 11 HD11 LEU 11 0.243 -6.351 -16.659 65 HD12 LEU 11 HD12 LEU 11 -1.401 -6.783 -16.189 66 HD13 LEU 11 HD13 LEU 11 -0.820 -7.160 -17.811 67 HD21 LEU 11 HD21 LEU 11 -1.033 -10.217 -15.622 68 HD22 LEU 11 HD22 LEU 11 -1.052 -9.977 -17.370 69 HD23 LEU 11 HD23 LEU 11 -2.106 -9.012 -16.335 70 H SER 12 H SER 12 3.865 -11.599 -16.539 71 HA SER 12 HA SER 12 5.180 -11.021 -18.915 72 HB2 SER 12 HB2 SER 12 6.659 -12.070 -17.550 73 HB3 SER 12 HB3 SER 12 5.413 -13.076 -16.810 74 HG SER 12 HG SER 12 6.794 -13.486 -19.242 75 HA PRO 13 HA PRO 13 3.389 -15.074 -20.832 76 HB2 PRO 13 HB2 PRO 13 1.421 -16.345 -19.460 77 HB3 PRO 13 HB3 PRO 13 3.138 -16.692 -19.220 78 HG2 PRO 13 HG2 PRO 13 1.307 -14.971 -17.592 79 HG3 PRO 13 HG3 PRO 13 2.528 -16.135 -17.046 80 HD2 PRO 13 HD2 PRO 13 2.975 -13.464 -17.085 81 HD3 PRO 13 HD3 PRO 13 4.264 -14.653 -17.364 82 H CYS 14 H CYS 14 1.615 -12.565 -19.398 83 HA CYS 14 HA CYS 14 -0.762 -13.005 -21.031 84 HB2 CYS 14 HB2 CYS 14 -0.121 -10.837 -19.019 85 HB3 CYS 14 HB3 CYS 14 -1.664 -11.032 -19.844 86 H LEU 15 H LEU 15 2.057 -10.952 -20.850 87 HA LEU 15 HA LEU 15 1.434 -8.796 -22.386 88 HB2 LEU 15 HB2 LEU 15 3.689 -9.586 -21.360 89 HB3 LEU 15 HB3 LEU 15 3.963 -10.287 -22.954 90 HG LEU 15 HG LEU 15 3.844 -8.096 -23.977 91 HD11 LEU 15 HD11 LEU 15 2.511 -6.619 -22.956 92 HD12 LEU 15 HD12 LEU 15 3.932 -6.233 -21.986 93 HD13 LEU 15 HD13 LEU 15 2.729 -7.367 -21.374 94 HD21 LEU 15 HD21 LEU 15 5.840 -8.973 -22.200 95 HD22 LEU 15 HD22 LEU 15 5.658 -7.239 -21.933 96 HD23 LEU 15 HD23 LEU 15 6.008 -7.851 -23.551 97 H THR 16 H THR 16 2.145 -12.061 -23.532 98 HA THR 16 HA THR 16 2.263 -11.593 -26.264 99 HB THR 16 HB THR 16 1.147 -14.006 -24.823 100 HG1 THR 16 HG1 THR 16 3.237 -14.053 -24.342 101 HG21 THR 16 HG21 THR 16 1.145 -13.356 -27.611 102 HG22 THR 16 HG22 THR 16 0.566 -14.819 -26.814 103 HG23 THR 16 HG23 THR 16 2.249 -14.701 -27.328 104 H TYR 17 H TYR 17 -0.606 -12.761 -24.486 105 HA TYR 17 HA TYR 17 -2.395 -12.357 -26.622 106 HB2 TYR 17 HB2 TYR 17 -3.070 -13.860 -24.920 107 HB3 TYR 17 HB3 TYR 17 -2.796 -12.672 -23.651 108 HD1 TYR 17 HD1 TYR 17 -4.910 -13.225 -26.679 109 HD2 TYR 17 HD2 TYR 17 -4.606 -11.503 -22.800 110 HE1 TYR 17 HE1 TYR 17 -7.279 -12.572 -26.790 111 HE2 TYR 17 HE2 TYR 17 -6.975 -10.846 -22.900 112 HH TYR 17 HH TYR 17 -8.831 -11.102 -25.819 113 H LEU 18 H LEU 18 -1.316 -10.278 -24.014 114 HA LEU 18 HA LEU 18 -3.275 -8.254 -24.365 115 HB2 LEU 18 HB2 LEU 18 -0.530 -8.200 -23.129 116 HB3 LEU 18 HB3 LEU 18 -1.646 -6.836 -23.095 117 HG LEU 18 HG LEU 18 -2.004 -9.516 -21.761 118 HD11 LEU 18 HD11 LEU 18 -2.136 -8.012 -19.733 119 HD12 LEU 18 HD12 LEU 18 -1.511 -6.724 -20.762 120 HD13 LEU 18 HD13 LEU 18 -0.547 -8.174 -20.481 121 HD21 LEU 18 HD21 LEU 18 -4.195 -9.181 -21.954 122 HD22 LEU 18 HD22 LEU 18 -3.963 -7.568 -22.630 123 HD23 LEU 18 HD23 LEU 18 -3.992 -7.795 -20.881 124 H THR 19 H THR 19 -0.352 -9.056 -26.013 125 HA THR 19 HA THR 19 -0.214 -6.449 -27.325 126 HB THR 19 HB THR 19 1.835 -7.382 -28.423 127 HG1 THR 19 HG1 THR 19 1.424 -9.588 -28.293 128 HG21 THR 19 HG21 THR 19 1.450 -6.604 -25.712 129 HG22 THR 19 HG22 THR 19 2.879 -6.393 -26.723 130 HG23 THR 19 HG23 THR 19 2.691 -7.854 -25.756 131 H GLY 20 H GLY 20 -2.382 -8.488 -27.769 132 HA2 GLY 20 HA2 GLY 20 -3.696 -8.673 -29.726 133 HA3 GLY 20 HA3 GLY 20 -2.252 -8.407 -30.692 134 H GLY 21 H GLY 21 -1.028 -10.499 -28.688 135 HA2 GLY 21 HA2 GLY 21 -1.134 -12.684 -30.463 136 HA3 GLY 21 HA3 GLY 21 -0.516 -12.733 -28.819 137 HA PRO 22 HA PRO 22 -4.503 -15.214 -29.253 138 HB2 PRO 22 HB2 PRO 22 -3.428 -17.645 -28.704 139 HB3 PRO 22 HB3 PRO 22 -3.538 -16.992 -30.343 140 HG2 PRO 22 HG2 PRO 22 -1.199 -17.036 -28.475 141 HG3 PRO 22 HG3 PRO 22 -1.249 -17.378 -30.214 142 HD2 PRO 22 HD2 PRO 22 -0.410 -15.003 -29.220 143 HD3 PRO 22 HD3 PRO 22 -1.243 -15.145 -30.782 144 H GLY 23 H GLY 23 -5.724 -15.895 -27.513 145 HA2 GLY 23 HA2 GLY 23 -5.202 -16.954 -25.144 146 HA3 GLY 23 HA3 GLY 23 -4.568 -15.334 -24.891 147 HA PRO 24 HA PRO 24 -4.976 -14.744 -23.033 148 HB2 PRO 24 HB2 PRO 24 -6.211 -15.151 -20.650 149 HB3 PRO 24 HB3 PRO 24 -6.214 -13.590 -21.480 150 HG2 PRO 24 HG2 PRO 24 -8.336 -15.701 -21.409 151 HG3 PRO 24 HG3 PRO 24 -8.503 -13.941 -21.269 152 HD2 PRO 24 HD2 PRO 24 -9.004 -15.274 -23.572 153 HD3 PRO 24 HD3 PRO 24 -8.359 -13.621 -23.547 154 H SER 25 H SER 25 -3.599 -16.380 -22.799 155 HA SER 25 HA SER 25 -4.357 -19.089 -22.970 156 HB2 SER 25 HB2 SER 25 -1.872 -19.299 -21.975 157 HB3 SER 25 HB3 SER 25 -2.186 -18.867 -23.656 158 HG SER 25 HG SER 25 -0.914 -17.449 -21.821 159 HA PRO 26 HA PRO 26 -5.180 -20.367 -18.856 160 HB2 PRO 26 HB2 PRO 26 -3.850 -22.725 -18.657 161 HB3 PRO 26 HB3 PRO 26 -5.310 -22.525 -19.633 162 HG2 PRO 26 HG2 PRO 26 -2.442 -22.526 -20.493 163 HG3 PRO 26 HG3 PRO 26 -3.840 -23.305 -21.257 164 HD2 PRO 26 HD2 PRO 26 -2.810 -20.964 -22.146 165 HD3 PRO 26 HD3 PRO 26 -4.539 -21.351 -22.260 166 H GLN 27 H GLN 27 -1.788 -20.321 -19.788 167 HA GLN 27 HA GLN 27 -0.798 -20.457 -17.100 168 HB2 GLN 27 HB2 GLN 27 0.624 -19.573 -19.617 169 HB3 GLN 27 HB3 GLN 27 1.385 -20.009 -18.093 170 HG2 GLN 27 HG2 GLN 27 0.689 -22.288 -18.326 171 HG3 GLN 27 HG3 GLN 27 -0.268 -21.894 -19.753 172 HE21 GLN 27 HE21 GLN 27 0.657 -22.686 -21.492 173 HE22 GLN 27 HE22 GLN 27 2.347 -22.669 -21.848 174 H CYS 28 H CYS 28 -1.746 -17.935 -19.301 175 HA CYS 28 HA CYS 28 -0.450 -15.794 -17.932 176 HB2 CYS 28 HB2 CYS 28 -0.942 -15.168 -20.088 177 HB3 CYS 28 HB3 CYS 28 -2.472 -16.038 -20.105 178 H CYS 29 H CYS 29 -3.822 -16.933 -18.029 179 HA CYS 29 HA CYS 29 -4.979 -15.119 -16.315 180 HB2 CYS 29 HB2 CYS 29 -5.534 -18.028 -16.832 181 HB3 CYS 29 HB3 CYS 29 -6.490 -17.122 -15.663 182 H GLY 30 H GLY 30 -2.988 -17.906 -15.540 183 HA2 GLY 30 HA2 GLY 30 -3.491 -18.167 -12.823 184 HA3 GLY 30 HA3 GLY 30 -1.950 -18.525 -13.589 185 H GLY 31 H GLY 31 -1.220 -15.974 -14.449 186 HA2 GLY 31 HA2 GLY 31 -0.222 -14.893 -11.988 187 HA3 GLY 31 HA3 GLY 31 0.078 -14.263 -13.601 188 H VAL 32 H VAL 32 -2.606 -13.846 -14.382 189 HA VAL 32 HA VAL 32 -3.069 -11.262 -13.533 190 HB VAL 32 HB VAL 32 -5.136 -13.238 -14.509 191 HG11 VAL 32 HG11 VAL 32 -6.131 -11.273 -13.432 192 HG12 VAL 32 HG12 VAL 32 -5.195 -10.222 -14.497 193 HG13 VAL 32 HG13 VAL 32 -6.430 -11.287 -15.170 194 HG21 VAL 32 HG21 VAL 32 -3.751 -11.158 -16.166 195 HG22 VAL 32 HG22 VAL 32 -3.046 -12.758 -15.931 196 HG23 VAL 32 HG23 VAL 32 -4.628 -12.595 -16.693 197 H LYS 33 H LYS 33 -4.490 -14.265 -12.289 198 HA LYS 33 HA LYS 33 -6.209 -13.046 -10.411 199 HB2 LYS 33 HB2 LYS 33 -4.974 -15.807 -10.400 200 HB3 LYS 33 HB3 LYS 33 -6.295 -15.290 -9.359 201 HG2 LYS 33 HG2 LYS 33 -7.830 -15.418 -11.009 202 HG3 LYS 33 HG3 LYS 33 -6.691 -14.913 -12.259 203 HD2 LYS 33 HD2 LYS 33 -5.722 -17.095 -12.358 204 HD3 LYS 33 HD3 LYS 33 -6.623 -17.619 -10.933 205 HE2 LYS 33 HE2 LYS 33 -8.264 -16.597 -13.149 206 HE3 LYS 33 HE3 LYS 33 -7.383 -18.085 -13.496 207 HZ1 LYS 33 HZ1 LYS 33 -8.369 -19.084 -11.528 208 HZ2 LYS 33 HZ2 LYS 33 -9.571 -18.548 -12.591 209 HZ3 LYS 33 HZ3 LYS 33 -9.216 -17.657 -11.198 210 H LYS 34 H LYS 34 -2.899 -14.272 -10.169 211 HA LYS 34 HA LYS 34 -2.596 -13.904 -7.392 212 HB2 LYS 34 HB2 LYS 34 -1.048 -15.298 -8.603 213 HB3 LYS 34 HB3 LYS 34 -0.563 -13.953 -9.627 214 HG2 LYS 34 HG2 LYS 34 0.736 -12.999 -7.998 215 HG3 LYS 34 HG3 LYS 34 -0.186 -13.729 -6.682 216 HD2 LYS 34 HD2 LYS 34 0.806 -15.863 -7.070 217 HD3 LYS 34 HD3 LYS 34 1.545 -15.310 -8.575 218 HE2 LYS 34 HE2 LYS 34 3.289 -15.295 -7.005 219 HE3 LYS 34 HE3 LYS 34 2.791 -13.609 -7.144 220 HZ1 LYS 34 HZ1 LYS 34 1.291 -14.890 -5.125 221 HZ2 LYS 34 HZ2 LYS 34 2.335 -13.566 -4.992 222 HZ3 LYS 34 HZ3 LYS 34 2.940 -15.139 -4.839 223 H LEU 35 H LEU 35 -2.037 -11.769 -10.145 224 HA LEU 35 HA LEU 35 -0.792 -9.681 -8.702 225 HB2 LEU 35 HB2 LEU 35 -0.497 -9.651 -11.022 226 HB3 LEU 35 HB3 LEU 35 -2.223 -9.831 -11.332 227 HG LEU 35 HG LEU 35 -2.625 -7.543 -10.694 228 HD11 LEU 35 HD11 LEU 35 -0.092 -7.822 -9.382 229 HD12 LEU 35 HD12 LEU 35 -1.307 -6.556 -9.211 230 HD13 LEU 35 HD13 LEU 35 -0.066 -6.424 -10.457 231 HD21 LEU 35 HD21 LEU 35 -1.295 -6.383 -12.424 232 HD22 LEU 35 HD22 LEU 35 -1.994 -7.898 -12.996 233 HD23 LEU 35 HD23 LEU 35 -0.283 -7.820 -12.573 234 H LEU 36 H LEU 36 -4.150 -10.063 -9.835 235 HA LEU 36 HA LEU 36 -5.121 -7.723 -8.591 236 HB2 LEU 36 HB2 LEU 36 -6.491 -10.231 -9.530 237 HB3 LEU 36 HB3 LEU 36 -7.365 -8.850 -8.872 238 HG LEU 36 HG LEU 36 -5.613 -8.741 -11.324 239 HD11 LEU 36 HD11 LEU 36 -7.628 -10.212 -11.557 240 HD12 LEU 36 HD12 LEU 36 -7.588 -8.825 -12.645 241 HD13 LEU 36 HD13 LEU 36 -8.621 -8.795 -11.216 242 HD21 LEU 36 HD21 LEU 36 -6.586 -6.584 -11.687 243 HD22 LEU 36 HD22 LEU 36 -5.933 -6.625 -10.049 244 HD23 LEU 36 HD23 LEU 36 -7.670 -6.786 -10.310 245 H ALA 37 H ALA 37 -4.798 -11.048 -7.505 246 HA ALA 37 HA ALA 37 -6.362 -10.842 -5.167 247 HB1 ALA 37 HB1 ALA 37 -5.766 -12.998 -6.060 248 HB2 ALA 37 HB2 ALA 37 -4.052 -12.670 -5.809 249 HB3 ALA 37 HB3 ALA 37 -5.126 -12.853 -4.423 250 H ALA 38 H ALA 38 -3.151 -9.796 -5.934 251 HA ALA 38 HA ALA 38 -2.317 -9.504 -3.185 252 HB1 ALA 38 HB1 ALA 38 -1.020 -8.409 -5.677 253 HB2 ALA 38 HB2 ALA 38 -0.285 -8.571 -4.082 254 HB3 ALA 38 HB3 ALA 38 -0.716 -10.011 -5.004 255 H ALA 39 H ALA 39 -3.549 -7.436 -5.758 256 HA ALA 39 HA ALA 39 -3.175 -4.993 -4.313 257 HB1 ALA 39 HB1 ALA 39 -5.120 -5.311 -6.566 258 HB2 ALA 39 HB2 ALA 39 -4.126 -3.918 -6.138 259 HB3 ALA 39 HB3 ALA 39 -3.382 -5.344 -6.862 260 H ASN 40 H ASN 40 -4.197 -5.838 -2.302 261 HA ASN 40 HA ASN 40 -7.127 -5.821 -2.384 262 HB2 ASN 40 HB2 ASN 40 -6.150 -7.723 -1.235 263 HB3 ASN 40 HB3 ASN 40 -5.204 -6.654 -0.203 264 HD21 ASN 40 HD21 ASN 40 -6.232 -5.506 1.438 265 HD22 ASN 40 HD22 ASN 40 -7.804 -5.939 2.009 266 H THR 41 H THR 41 -4.454 -3.880 -1.542 267 HA THR 41 HA THR 41 -6.054 -2.179 0.228 268 HB THR 41 HB THR 41 -3.618 -0.956 0.108 269 HG1 THR 41 HG1 THR 41 -2.168 -2.875 0.384 270 HG21 THR 41 HG21 THR 41 -4.998 -2.784 1.934 271 HG22 THR 41 HG22 THR 41 -4.185 -1.254 2.263 272 HG23 THR 41 HG23 THR 41 -3.249 -2.744 2.149 273 H THR 42 H THR 42 -5.734 0.226 -0.077 274 HA THR 42 HA THR 42 -6.642 0.963 -2.656 275 HB THR 42 HB THR 42 -5.881 2.495 -0.197 276 HG1 THR 42 HG1 THR 42 -7.976 2.370 -0.001 277 HG21 THR 42 HG21 THR 42 -5.054 4.071 -1.654 278 HG22 THR 42 HG22 THR 42 -6.761 4.517 -1.638 279 HG23 THR 42 HG23 THR 42 -6.111 3.564 -2.972 280 HA PRO 43 HA PRO 43 -2.277 3.012 -3.121 281 HB2 PRO 43 HB2 PRO 43 -0.356 2.200 -1.383 282 HB3 PRO 43 HB3 PRO 43 -1.417 3.579 -1.067 283 HG2 PRO 43 HG2 PRO 43 -1.616 0.766 -0.062 284 HG3 PRO 43 HG3 PRO 43 -1.859 2.288 0.816 285 HD2 PRO 43 HD2 PRO 43 -3.920 0.787 -0.097 286 HD3 PRO 43 HD3 PRO 43 -4.001 2.558 0.008 287 H ASP 44 H ASP 44 -2.985 -0.256 -2.553 288 HA ASP 44 HA ASP 44 -0.593 -1.288 -3.837 289 HB2 ASP 44 HB2 ASP 44 -2.935 -2.456 -2.428 290 HB3 ASP 44 HB3 ASP 44 -2.159 -3.457 -3.652 291 H ARG 45 H ARG 45 -4.011 -0.819 -4.561 292 HA ARG 45 HA ARG 45 -3.881 -2.121 -7.111 293 HB2 ARG 45 HB2 ARG 45 -5.980 -0.179 -6.139 294 HB3 ARG 45 HB3 ARG 45 -6.147 -1.377 -7.416 295 HG2 ARG 45 HG2 ARG 45 -5.371 -2.779 -5.107 296 HG3 ARG 45 HG3 ARG 45 -6.631 -1.644 -4.616 297 HD2 ARG 45 HD2 ARG 45 -7.673 -2.601 -6.926 298 HD3 ARG 45 HD3 ARG 45 -6.780 -4.011 -6.358 299 HE ARG 45 HE ARG 45 -8.325 -4.271 -4.692 300 HH11 ARG 45 HH11 ARG 45 -8.611 -1.064 -6.016 301 HH12 ARG 45 HH12 ARG 45 -10.049 -0.684 -5.128 302 HH21 ARG 45 HH21 ARG 45 -10.218 -3.782 -3.517 303 HH22 ARG 45 HH22 ARG 45 -10.961 -2.230 -3.705 304 H GLN 46 H GLN 46 -3.827 1.232 -5.984 305 HA GLN 46 HA GLN 46 -3.926 2.501 -8.471 306 HB2 GLN 46 HB2 GLN 46 -2.461 3.421 -5.992 307 HB3 GLN 46 HB3 GLN 46 -2.950 4.436 -7.341 308 HG2 GLN 46 HG2 GLN 46 -5.197 4.323 -6.781 309 HG3 GLN 46 HG3 GLN 46 -4.979 2.872 -5.802 310 HE21 GLN 46 HE21 GLN 46 -6.291 5.303 -5.044 311 HE22 GLN 46 HE22 GLN 46 -5.430 5.943 -3.690 312 H ALA 47 H ALA 47 -1.111 1.484 -6.550 313 HA ALA 47 HA ALA 47 0.844 2.374 -8.374 314 HB1 ALA 47 HB1 ALA 47 0.800 0.545 -6.039 315 HB2 ALA 47 HB2 ALA 47 2.179 0.445 -7.134 316 HB3 ALA 47 HB3 ALA 47 1.790 1.973 -6.343 317 H ALA 48 H ALA 48 -0.364 -0.932 -7.778 318 HA ALA 48 HA ALA 48 0.997 -2.264 -9.762 319 HB1 ALA 48 HB1 ALA 48 -1.474 -2.722 -8.253 320 HB2 ALA 48 HB2 ALA 48 -1.389 -3.567 -9.800 321 HB3 ALA 48 HB3 ALA 48 -0.128 -3.812 -8.591 322 H CYS 49 H CYS 49 -2.065 -0.499 -10.032 323 HA CYS 49 HA CYS 49 -2.573 -1.152 -12.732 324 HB2 CYS 49 HB2 CYS 49 -4.240 -0.217 -11.095 325 HB3 CYS 49 HB3 CYS 49 -3.456 1.348 -11.282 326 H ASN 50 H ASN 50 -1.477 1.970 -11.391 327 HA ASN 50 HA ASN 50 -0.835 3.235 -13.739 328 HB2 ASN 50 HB2 ASN 50 0.629 3.426 -11.097 329 HB3 ASN 50 HB3 ASN 50 0.765 4.587 -12.414 330 HD21 ASN 50 HD21 ASN 50 -0.232 4.786 -9.609 331 HD22 ASN 50 HD22 ASN 50 -1.804 5.491 -9.750 332 H CYS 51 H CYS 51 1.205 1.048 -11.839 333 HA CYS 51 HA CYS 51 3.590 1.273 -13.198 334 HB2 CYS 51 HB2 CYS 51 2.261 -0.921 -11.686 335 HB3 CYS 51 HB3 CYS 51 3.672 -1.339 -12.654 336 H LEU 52 H LEU 52 0.884 -0.911 -13.955 337 HA LEU 52 HA LEU 52 2.091 -1.990 -16.286 338 HB2 LEU 52 HB2 LEU 52 -0.792 -1.889 -15.417 339 HB3 LEU 52 HB3 LEU 52 -0.196 -2.818 -16.790 340 HG LEU 52 HG LEU 52 0.470 -3.268 -13.883 341 HD11 LEU 52 HD11 LEU 52 -1.584 -4.236 -14.109 342 HD12 LEU 52 HD12 LEU 52 -0.563 -5.565 -14.659 343 HD13 LEU 52 HD13 LEU 52 -1.379 -4.535 -15.835 344 HD21 LEU 52 HD21 LEU 52 1.749 -5.191 -14.644 345 HD22 LEU 52 HD22 LEU 52 2.406 -3.701 -15.322 346 HD23 LEU 52 HD23 LEU 52 1.418 -4.766 -16.324 347 H LYS 53 H LYS 53 -0.126 0.685 -15.700 348 HA LYS 53 HA LYS 53 -0.818 1.239 -18.359 349 HB2 LYS 53 HB2 LYS 53 -0.496 3.300 -16.178 350 HB3 LYS 53 HB3 LYS 53 -1.559 3.376 -17.577 351 HG2 LYS 53 HG2 LYS 53 -2.163 1.025 -16.078 352 HG3 LYS 53 HG3 LYS 53 -2.141 2.419 -14.995 353 HD2 LYS 53 HD2 LYS 53 -4.367 2.129 -15.884 354 HD3 LYS 53 HD3 LYS 53 -3.659 3.602 -16.552 355 HE2 LYS 53 HE2 LYS 53 -4.885 2.184 -18.209 356 HE3 LYS 53 HE3 LYS 53 -3.209 2.531 -18.633 357 HZ1 LYS 53 HZ1 LYS 53 -3.947 0.046 -17.217 358 HZ2 LYS 53 HZ2 LYS 53 -2.555 0.374 -18.120 359 HZ3 LYS 53 HZ3 LYS 53 -4.037 0.152 -18.903 360 H SER 54 H SER 54 1.936 2.255 -16.406 361 HA SER 54 HA SER 54 2.965 4.100 -18.316 362 HB2 SER 54 HB2 SER 54 3.708 4.471 -16.119 363 HB3 SER 54 HB3 SER 54 4.097 2.769 -15.866 364 HG SER 54 HG SER 54 5.647 4.757 -16.853 365 H ALA 55 H ALA 55 3.765 0.744 -17.478 366 HA ALA 55 HA ALA 55 5.874 0.438 -19.317 367 HB1 ALA 55 HB1 ALA 55 4.068 -1.519 -17.933 368 HB2 ALA 55 HB2 ALA 55 5.316 -2.042 -19.065 369 HB3 ALA 55 HB3 ALA 55 5.763 -1.157 -17.607 370 H ALA 56 H ALA 56 2.453 0.473 -19.722 371 HA ALA 56 HA ALA 56 2.430 -0.966 -22.216 372 HB1 ALA 56 HB1 ALA 56 0.494 -0.032 -20.354 373 HB2 ALA 56 HB2 ALA 56 0.088 0.602 -21.950 374 HB3 ALA 56 HB3 ALA 56 0.278 -1.135 -21.713 375 H GLY 57 H GLY 57 2.623 2.379 -21.190 376 HA2 GLY 57 HA2 GLY 57 1.985 3.623 -23.629 377 HA3 GLY 57 HA3 GLY 57 2.977 4.322 -22.358 378 H SER 58 H SER 58 4.841 1.953 -22.613 379 HA SER 58 HA SER 58 6.472 3.122 -24.717 380 HB2 SER 58 HB2 SER 58 7.299 0.806 -22.984 381 HB3 SER 58 HB3 SER 58 8.310 2.044 -23.730 382 HG SER 58 HG SER 58 7.892 3.373 -22.127 383 H ILE 59 H ILE 59 4.091 0.967 -24.762 384 HA ILE 59 HA ILE 59 5.418 -0.884 -26.622 385 HB ILE 59 HB ILE 59 2.645 -1.261 -25.527 386 HG12 ILE 59 HG12 ILE 59 5.249 -2.136 -24.257 387 HG13 ILE 59 HG13 ILE 59 4.113 -0.965 -23.596 388 HG21 ILE 59 HG21 ILE 59 4.278 -2.662 -27.344 389 HG22 ILE 59 HG22 ILE 59 4.184 -3.642 -25.883 390 HG23 ILE 59 HG23 ILE 59 2.706 -3.141 -26.705 391 HD11 ILE 59 HD11 ILE 59 2.506 -3.118 -23.924 392 HD12 ILE 59 HD12 ILE 59 4.048 -3.890 -23.554 393 HD13 ILE 59 HD13 ILE 59 3.358 -2.716 -22.433 394 H THR 60 H THR 60 4.641 -1.206 -28.685 395 HA THR 60 HA THR 60 2.762 0.845 -29.647 396 HB THR 60 HB THR 60 5.121 0.771 -30.597 397 HG1 THR 60 HG1 THR 60 3.254 1.735 -31.662 398 HG21 THR 60 HG21 THR 60 5.073 -1.780 -30.752 399 HG22 THR 60 HG22 THR 60 5.730 -0.905 -32.136 400 HG23 THR 60 HG23 THR 60 4.092 -1.556 -32.201 401 H LYS 61 H LYS 61 3.407 -2.580 -29.522 402 HA LYS 61 HA LYS 61 1.145 -3.180 -31.267 403 HB2 LYS 61 HB2 LYS 61 3.299 -4.862 -30.003 404 HB3 LYS 61 HB3 LYS 61 1.888 -5.589 -30.761 405 HG2 LYS 61 HG2 LYS 61 3.494 -3.604 -32.294 406 HG3 LYS 61 HG3 LYS 61 4.101 -5.250 -32.103 407 HD2 LYS 61 HD2 LYS 61 2.157 -6.165 -33.146 408 HD3 LYS 61 HD3 LYS 61 1.343 -4.599 -33.130 409 HE2 LYS 61 HE2 LYS 61 2.092 -4.838 -35.332 410 HE3 LYS 61 HE3 LYS 61 3.288 -3.783 -34.580 411 HZ1 LYS 61 HZ1 LYS 61 3.734 -6.193 -35.881 412 HZ2 LYS 61 HZ2 LYS 61 4.054 -6.475 -34.245 413 HZ3 LYS 61 HZ3 LYS 61 4.866 -5.237 -35.064 414 H LEU 62 H LEU 62 1.147 -2.097 -28.357 415 HA LEU 62 HA LEU 62 -0.047 -4.073 -26.731 416 HB2 LEU 62 HB2 LEU 62 0.921 -2.118 -25.742 417 HB3 LEU 62 HB3 LEU 62 -0.169 -1.065 -26.642 418 HG LEU 62 HG LEU 62 -2.055 -2.174 -25.328 419 HD11 LEU 62 HD11 LEU 62 0.330 -3.375 -24.051 420 HD12 LEU 62 HD12 LEU 62 -1.294 -4.027 -24.267 421 HD13 LEU 62 HD13 LEU 62 -0.978 -2.852 -22.990 422 HD21 LEU 62 HD21 LEU 62 0.009 -0.360 -24.118 423 HD22 LEU 62 HD22 LEU 62 -1.477 -0.780 -23.265 424 HD23 LEU 62 HD23 LEU 62 -1.556 0.057 -24.817 425 H ASN 63 H ASN 63 -2.032 -4.897 -26.734 426 HA ASN 63 HA ASN 63 -4.071 -3.603 -28.408 427 HB2 ASN 63 HB2 ASN 63 -3.730 -6.465 -27.505 428 HB3 ASN 63 HB3 ASN 63 -5.192 -5.876 -28.291 429 HD21 ASN 63 HD21 ASN 63 -5.264 -6.302 -30.362 430 HD22 ASN 63 HD22 ASN 63 -3.916 -6.391 -31.438 431 H THR 64 H THR 64 -4.872 -2.124 -26.921 432 HA THR 64 HA THR 64 -5.478 -2.518 -24.261 433 HB THR 64 HB THR 64 -7.036 -0.674 -24.420 434 HG1 THR 64 HG1 THR 64 -8.251 -0.975 -26.194 435 HG21 THR 64 HG21 THR 64 -5.604 1.000 -25.307 436 HG22 THR 64 HG22 THR 64 -4.853 -0.138 -26.426 437 HG23 THR 64 HG23 THR 64 -4.553 -0.276 -24.694 438 H ASN 65 H ASN 65 -7.152 -3.681 -27.070 439 HA ASN 65 HA ASN 65 -9.666 -4.203 -25.909 440 HB2 ASN 65 HB2 ASN 65 -8.208 -5.110 -28.338 441 HB3 ASN 65 HB3 ASN 65 -9.570 -6.091 -27.805 442 HD21 ASN 65 HD21 ASN 65 -9.956 -5.116 -30.149 443 HD22 ASN 65 HD22 ASN 65 -10.989 -3.732 -30.154 444 H ASN 66 H ASN 66 -6.743 -6.180 -26.220 445 HA ASN 66 HA ASN 66 -7.912 -8.469 -24.955 446 HB2 ASN 66 HB2 ASN 66 -5.059 -7.746 -25.635 447 HB3 ASN 66 HB3 ASN 66 -5.514 -9.272 -24.885 448 HD21 ASN 66 HD21 ASN 66 -4.500 -8.238 -27.637 449 HD22 ASN 66 HD22 ASN 66 -5.456 -9.148 -28.753 450 H ALA 67 H ALA 67 -6.395 -5.582 -23.870 451 HA ALA 67 HA ALA 67 -5.530 -6.565 -21.324 452 HB1 ALA 67 HB1 ALA 67 -5.707 -3.896 -20.948 453 HB2 ALA 67 HB2 ALA 67 -4.335 -4.698 -21.713 454 HB3 ALA 67 HB3 ALA 67 -5.597 -3.970 -22.707 455 H ALA 68 H ALA 68 -8.433 -5.025 -22.569 456 HA ALA 68 HA ALA 68 -9.614 -4.595 -19.994 457 HB1 ALA 68 HB1 ALA 68 -11.274 -3.529 -21.099 458 HB2 ALA 68 HB2 ALA 68 -10.085 -3.523 -22.402 459 HB3 ALA 68 HB3 ALA 68 -11.357 -4.744 -22.374 460 H ALA 69 H ALA 69 -9.913 -7.043 -22.528 461 HA ALA 69 HA ALA 69 -11.901 -8.520 -21.018 462 HB1 ALA 69 HB1 ALA 69 -12.232 -8.522 -23.364 463 HB2 ALA 69 HB2 ALA 69 -10.565 -9.013 -23.668 464 HB3 ALA 69 HB3 ALA 69 -11.697 -10.146 -22.931 465 H LEU 70 H LEU 70 -8.590 -8.247 -20.938 466 HA LEU 70 HA LEU 70 -7.641 -10.848 -20.708 467 HB2 LEU 70 HB2 LEU 70 -5.934 -9.344 -20.731 468 HB3 LEU 70 HB3 LEU 70 -6.790 -8.194 -19.706 469 HG LEU 70 HG LEU 70 -6.263 -9.565 -17.741 470 HD11 LEU 70 HD11 LEU 70 -4.207 -11.216 -18.624 471 HD12 LEU 70 HD12 LEU 70 -5.521 -11.478 -19.770 472 HD13 LEU 70 HD13 LEU 70 -5.796 -11.715 -18.044 473 HD21 LEU 70 HD21 LEU 70 -3.638 -9.203 -19.084 474 HD22 LEU 70 HD22 LEU 70 -4.169 -8.700 -17.479 475 HD23 LEU 70 HD23 LEU 70 -4.680 -7.792 -18.903 476 HA PRO 71 HA PRO 71 -8.526 -10.662 -15.963 477 HB2 PRO 71 HB2 PRO 71 -10.049 -8.605 -15.058 478 HB3 PRO 71 HB3 PRO 71 -8.287 -8.518 -15.174 479 HG2 PRO 71 HG2 PRO 71 -10.364 -7.456 -17.051 480 HG3 PRO 71 HG3 PRO 71 -8.871 -6.686 -16.482 481 HD2 PRO 71 HD2 PRO 71 -9.067 -7.867 -18.911 482 HD3 PRO 71 HD3 PRO 71 -7.555 -7.842 -17.981 483 H GLY 72 H GLY 72 -10.974 -9.594 -18.233 484 HA2 GLY 72 HA2 GLY 72 -13.206 -10.626 -16.771 485 HA3 GLY 72 HA3 GLY 72 -13.207 -10.125 -18.455 486 H LYS 73 H LYS 73 -11.551 -11.761 -19.719 487 HA LYS 73 HA LYS 73 -12.994 -14.145 -19.981 488 HB2 LYS 73 HB2 LYS 73 -10.333 -13.194 -20.970 489 HB3 LYS 73 HB3 LYS 73 -10.788 -14.877 -21.203 490 HG2 LYS 73 HG2 LYS 73 -12.657 -14.283 -22.529 491 HG3 LYS 73 HG3 LYS 73 -12.509 -12.579 -22.092 492 HD2 LYS 73 HD2 LYS 73 -10.189 -12.702 -23.180 493 HD3 LYS 73 HD3 LYS 73 -10.747 -14.220 -23.888 494 HE2 LYS 73 HE2 LYS 73 -12.437 -11.772 -24.136 495 HE3 LYS 73 HE3 LYS 73 -11.031 -11.962 -25.182 496 HZ1 LYS 73 HZ1 LYS 73 -13.217 -13.955 -24.925 497 HZ2 LYS 73 HZ2 LYS 73 -11.916 -14.019 -26.004 498 HZ3 LYS 73 HZ3 LYS 73 -13.096 -12.819 -26.172 499 H CYS 74 H CYS 74 -10.505 -13.258 -17.793 500 HA CYS 74 HA CYS 74 -9.802 -16.010 -17.160 501 HB2 CYS 74 HB2 CYS 74 -8.840 -13.346 -16.116 502 HB3 CYS 74 HB3 CYS 74 -8.322 -14.882 -15.429 503 H GLY 75 H GLY 75 -12.468 -14.468 -16.596 504 HA2 GLY 75 HA2 GLY 75 -14.094 -14.518 -14.976 505 HA3 GLY 75 HA3 GLY 75 -13.268 -15.948 -14.374 506 H VAL 76 H VAL 76 -13.052 -12.398 -14.327 507 HA VAL 76 HA VAL 76 -12.261 -12.585 -11.498 508 HB VAL 76 HB VAL 76 -11.129 -10.548 -13.415 509 HG11 VAL 76 HG11 VAL 76 -11.151 -10.818 -10.557 510 HG12 VAL 76 HG12 VAL 76 -9.496 -10.897 -11.164 511 HG13 VAL 76 HG13 VAL 76 -10.514 -9.509 -11.551 512 HG21 VAL 76 HG21 VAL 76 -9.055 -11.806 -13.368 513 HG22 VAL 76 HG22 VAL 76 -9.794 -13.030 -12.335 514 HG23 VAL 76 HG23 VAL 76 -10.360 -12.815 -13.992 515 H ASN 77 H ASN 77 -13.009 -10.948 -10.149 516 HA ASN 77 HA ASN 77 -15.403 -9.625 -11.070 517 HB2 ASN 77 HB2 ASN 77 -14.150 -9.273 -8.354 518 HB3 ASN 77 HB3 ASN 77 -15.849 -9.156 -8.801 519 HD21 ASN 77 HD21 ASN 77 -14.562 -10.765 -6.742 520 HD22 ASN 77 HD22 ASN 77 -14.980 -12.406 -7.086 521 H ILE 78 H ILE 78 -15.074 -7.876 -12.312 522 HA ILE 78 HA ILE 78 -13.703 -5.606 -11.119 523 HB ILE 78 HB ILE 78 -12.952 -6.619 -13.864 524 HG12 ILE 78 HG12 ILE 78 -11.348 -6.445 -11.304 525 HG13 ILE 78 HG13 ILE 78 -11.911 -7.925 -12.073 526 HG21 ILE 78 HG21 ILE 78 -11.240 -4.565 -12.885 527 HG22 ILE 78 HG22 ILE 78 -12.254 -4.566 -14.327 528 HG23 ILE 78 HG23 ILE 78 -12.910 -4.006 -12.789 529 HD11 ILE 78 HD11 ILE 78 -9.933 -7.992 -13.069 530 HD12 ILE 78 HD12 ILE 78 -10.497 -6.651 -14.067 531 HD13 ILE 78 HD13 ILE 78 -9.558 -6.331 -12.609 532 HA PRO 79 HA PRO 79 -17.635 -4.489 -13.261 533 HB2 PRO 79 HB2 PRO 79 -18.460 -2.786 -11.314 534 HB3 PRO 79 HB3 PRO 79 -18.764 -4.527 -11.260 535 HG2 PRO 79 HG2 PRO 79 -16.640 -2.931 -9.881 536 HG3 PRO 79 HG3 PRO 79 -17.641 -4.248 -9.243 537 HD2 PRO 79 HD2 PRO 79 -15.085 -4.623 -10.055 538 HD3 PRO 79 HD3 PRO 79 -16.329 -5.880 -10.206 539 H TYR 80 H TYR 80 -14.784 -2.932 -12.344 540 HA TYR 80 HA TYR 80 -15.492 -0.252 -13.046 541 HB2 TYR 80 HB2 TYR 80 -12.911 -1.682 -12.499 542 HB3 TYR 80 HB3 TYR 80 -12.894 -0.058 -13.176 543 HD1 TYR 80 HD1 TYR 80 -14.184 -2.036 -10.301 544 HD2 TYR 80 HD2 TYR 80 -13.102 1.805 -11.778 545 HE1 TYR 80 HE1 TYR 80 -14.446 -1.100 -8.042 546 HE2 TYR 80 HE2 TYR 80 -13.359 2.751 -9.522 547 HH TYR 80 HH TYR 80 -14.155 2.363 -7.443 548 H LYS 81 H LYS 81 -15.662 0.613 -15.000 549 HA LYS 81 HA LYS 81 -15.363 -0.905 -17.359 550 HB2 LYS 81 HB2 LYS 81 -15.552 2.098 -17.063 551 HB3 LYS 81 HB3 LYS 81 -15.830 1.189 -18.542 552 HG2 LYS 81 HG2 LYS 81 -17.713 0.030 -17.386 553 HG3 LYS 81 HG3 LYS 81 -17.485 1.137 -16.030 554 HD2 LYS 81 HD2 LYS 81 -19.190 2.116 -17.305 555 HD3 LYS 81 HD3 LYS 81 -17.736 3.011 -17.755 556 HE2 LYS 81 HE2 LYS 81 -18.920 2.528 -19.762 557 HE3 LYS 81 HE3 LYS 81 -17.510 1.471 -19.720 558 HZ1 LYS 81 HZ1 LYS 81 -18.807 -0.373 -19.243 559 HZ2 LYS 81 HZ2 LYS 81 -19.758 0.469 -20.359 560 HZ3 LYS 81 HZ3 LYS 81 -20.124 0.546 -18.709 561 H ILE 82 H ILE 82 -13.407 -1.635 -17.944 562 HA ILE 82 HA ILE 82 -10.934 -0.545 -17.407 563 HB ILE 82 HB ILE 82 -11.901 -2.327 -19.612 564 HG12 ILE 82 HG12 ILE 82 -11.498 -3.072 -17.202 565 HG13 ILE 82 HG13 ILE 82 -10.704 -4.012 -18.460 566 HG21 ILE 82 HG21 ILE 82 -9.216 -1.019 -19.392 567 HG22 ILE 82 HG22 ILE 82 -9.390 -2.612 -20.127 568 HG23 ILE 82 HG23 ILE 82 -10.241 -1.227 -20.812 569 HD11 ILE 82 HD11 ILE 82 -9.256 -3.579 -16.527 570 HD12 ILE 82 HD12 ILE 82 -8.612 -2.896 -18.021 571 HD13 ILE 82 HD13 ILE 82 -9.390 -1.848 -16.835 572 H SER 83 H SER 83 -9.635 0.974 -18.300 573 HA SER 83 HA SER 83 -10.045 2.091 -20.885 574 HB2 SER 83 HB2 SER 83 -11.431 3.317 -18.630 575 HB3 SER 83 HB3 SER 83 -10.353 4.448 -19.449 576 HG SER 83 HG SER 83 -12.515 4.325 -20.334 577 H THR 84 H THR 84 -8.052 2.503 -21.537 578 HA THR 84 HA THR 84 -5.822 2.626 -19.834 579 HB THR 84 HB THR 84 -4.543 3.333 -21.815 580 HG1 THR 84 HG1 THR 84 -7.138 3.806 -22.808 581 HG21 THR 84 HG21 THR 84 -6.087 0.965 -21.546 582 HG22 THR 84 HG22 THR 84 -4.547 1.179 -22.379 583 HG23 THR 84 HG23 THR 84 -6.062 1.403 -23.254 584 H THR 85 H THR 85 -8.109 5.001 -20.667 585 HA THR 85 HA THR 85 -6.308 7.224 -20.077 586 HB THR 85 HB THR 85 -8.090 8.693 -20.762 587 HG1 THR 85 HG1 THR 85 -9.688 6.333 -20.884 588 HG21 THR 85 HG21 THR 85 -8.455 6.607 -22.823 589 HG22 THR 85 HG22 THR 85 -6.788 7.040 -22.445 590 HG23 THR 85 HG23 THR 85 -7.921 8.280 -22.984 591 H THR 86 H THR 86 -8.200 5.110 -18.376 592 HA THR 86 HA THR 86 -9.380 6.907 -16.482 593 HB THR 86 HB THR 86 -8.939 3.920 -16.409 594 HG1 THR 86 HG1 THR 86 -11.239 5.555 -16.823 595 HG21 THR 86 HG21 THR 86 -10.768 4.202 -14.539 596 HG22 THR 86 HG22 THR 86 -10.033 5.795 -14.362 597 HG23 THR 86 HG23 THR 86 -9.055 4.344 -14.150 598 H ASN 87 H ASN 87 -8.588 7.648 -14.594 599 HA ASN 87 HA ASN 87 -5.771 7.244 -14.061 600 HB2 ASN 87 HB2 ASN 87 -7.226 9.453 -13.887 601 HB3 ASN 87 HB3 ASN 87 -7.515 8.859 -12.254 602 HD21 ASN 87 HD21 ASN 87 -6.397 10.585 -11.352 603 HD22 ASN 87 HD22 ASN 87 -4.673 10.690 -11.408 604 H CYS 88 H CYS 88 -5.249 5.416 -13.035 605 HA CYS 88 HA CYS 88 -6.952 4.009 -11.275 606 HB2 CYS 88 HB2 CYS 88 -3.943 3.787 -11.354 607 HB3 CYS 88 HB3 CYS 88 -5.105 2.548 -10.891 608 H ASN 89 H ASN 89 -5.123 6.805 -10.828 609 HA ASN 89 HA ASN 89 -4.486 6.433 -8.054 610 HB2 ASN 89 HB2 ASN 89 -4.528 8.936 -9.754 611 HB3 ASN 89 HB3 ASN 89 -3.879 8.836 -8.120 612 HD21 ASN 89 HD21 ASN 89 -3.367 8.140 -11.448 613 HD22 ASN 89 HD22 ASN 89 -1.742 7.573 -11.304 614 H THR 90 H THR 90 -7.291 7.228 -9.766 615 HA THR 90 HA THR 90 -8.479 8.791 -7.620 616 HB THR 90 HB THR 90 -10.434 8.985 -9.053 617 HG1 THR 90 HG1 THR 90 -10.674 7.167 -10.189 618 HG21 THR 90 HG21 THR 90 -9.271 9.944 -11.129 619 HG22 THR 90 HG22 THR 90 -7.764 9.465 -10.347 620 HG23 THR 90 HG23 THR 90 -8.835 10.626 -9.563 621 H VAL 91 H VAL 91 -8.141 5.536 -8.458 622 HA VAL 91 HA VAL 91 -10.620 4.493 -7.579 623 HB VAL 91 HB VAL 91 -9.636 2.358 -7.660 624 HG11 VAL 91 HG11 VAL 91 -9.216 2.381 -9.849 625 HG12 VAL 91 HG12 VAL 91 -9.320 4.140 -9.753 626 HG13 VAL 91 HG13 VAL 91 -7.752 3.340 -9.635 627 HG21 VAL 91 HG21 VAL 91 -7.095 3.805 -7.048 628 HG22 VAL 91 HG22 VAL 91 -7.799 2.392 -6.261 629 HG23 VAL 91 HG23 VAL 91 -7.040 2.232 -7.845 630 H LYS 92 H LYS 92 -10.842 3.051 -5.652 631 HA LYS 92 HA LYS 92 -9.172 3.627 -3.370 632 HB2 LYS 92 HB2 LYS 92 -10.442 5.532 -3.015 633 HB3 LYS 92 HB3 LYS 92 -11.899 4.813 -3.688 634 HG2 LYS 92 HG2 LYS 92 -12.272 3.531 -1.720 635 HG3 LYS 92 HG3 LYS 92 -10.690 3.965 -1.068 636 HD2 LYS 92 HD2 LYS 92 -11.359 6.080 -0.486 637 HD3 LYS 92 HD3 LYS 92 -12.596 6.151 -1.744 638 HE2 LYS 92 HE2 LYS 92 -14.058 4.751 -0.494 639 HE3 LYS 92 HE3 LYS 92 -12.790 4.353 0.664 640 HZ1 LYS 92 HZ1 LYS 92 -14.645 6.333 0.930 641 HZ2 LYS 92 HZ2 LYS 92 -13.246 7.169 0.477 642 HZ3 LYS 92 HZ3 LYS 92 -13.229 6.170 1.842 643 H PHE 93 H PHE 93 -9.377 2.119 -1.744 644 HA PHE 93 HA PHE 93 -11.020 -0.207 -2.416 645 HB2 PHE 93 HB2 PHE 93 -8.767 -0.832 -2.081 646 HB3 PHE 93 HB3 PHE 93 -8.612 0.182 -0.650 647 HD1 PHE 93 HD1 PHE 93 -8.169 -1.145 1.169 648 HD2 PHE 93 HD2 PHE 93 -11.104 -2.409 -1.643 649 HE1 PHE 93 HE1 PHE 93 -8.699 -3.078 2.596 650 HE2 PHE 93 HE2 PHE 93 -11.639 -4.344 -0.220 651 HZ PHE 93 HZ PHE 93 -10.436 -4.680 1.902 652 HC11 PGM 101 H11 PPG 103 10.021 -5.213 -15.419 653 HC12 PGM 101 H12 PPG 103 9.078 -5.373 -14.089 654 HO1 PGM 101 H1 PPG 103 11.736 -4.486 -14.186 655 HC2 PGM 101 H2A PPG 103 11.463 -7.042 -14.290 656 HO2 PGM 101 H2 PPG 103 9.982 -6.678 -12.369 657 HC31 PGM 101 H31 PPG 103 8.784 -7.449 -15.423 658 HC32 PGM 101 H32 PPG 103 9.798 -8.712 -15.165 659 HC71 PGM 101 H91 PPG 103 9.487 -6.262 -19.605 660 HC72 PGM 101 H92 PPG 103 9.654 -5.816 -18.051 661 HC8 PGM 101 H10A PPG 103 8.585 -4.077 -19.268 662 HO8 PGM 101 H10 PPG 103 6.419 -4.233 -18.029 663 HC91 PGM 101 H111 PPG 103 6.709 -6.247 -19.853 664 HC92 PGM 101 H112 PPG 103 7.390 -5.258 -20.953 665 HCB1 PGM 101 H151 PPG 103 3.433 -3.541 -20.523 666 HCB2 PGM 101 H152 PPG 103 3.296 -3.724 -18.908 667 HCC1 PGM 101 H161 PPG 103 2.229 -5.973 -19.589 668 HCC2 PGM 101 H162 PPG 103 1.906 -5.155 -20.963 669 HCD1 PGM 101 H171 PPG 103 1.353 -3.872 -18.464 670 HCD2 PGM 101 H172 PPG 103 0.282 -4.962 -19.019 671 HCE1 PGM 101 H181 PPG 103 -0.006 -3.671 -20.992 672 HCE2 PGM 101 H182 PPG 103 1.070 -2.584 -20.437 673 HCF1 PGM 101 H191 PPG 103 -1.016 -1.695 -20.128 674 HCF2 PGM 101 H192 PPG 103 -0.426 -2.084 -18.660 675 HCG1 PGM 101 H201 PPG 103 -1.841 -4.191 -19.093 676 HCG2 PGM 101 H202 PPG 103 -2.697 -3.109 -19.955 677 HCH1 PGM 101 H211 PPG 103 -2.634 -1.765 -17.793 678 HCH2 PGM 101 H212 PPG 103 -2.388 -3.234 -17.119 679 HCI1 PGM 101 H221 PPG 103 -4.351 -4.089 -18.090 680 HCI2 PGM 101 H222 PPG 103 -4.543 -2.741 -18.998 681 HCJ1 PGM 101 H231 PPG 103 -5.859 -1.987 -17.439 682 HCJ2 PGM 101 H232 PPG 103 -4.534 -1.830 -16.490 683 HCK1 PGM 101 H241 PPG 103 -4.919 -4.100 -15.713 684 HCK2 PGM 101 H242 PPG 103 -6.338 -4.086 -16.520 685 HCL1 PGM 101 H251 PPG 103 -7.286 -2.592 -15.077 686 HCL2 PGM 101 H252 PPG 103 -5.843 -1.955 -14.642 687 HCM1 PGM 101 H261 PPG 103 -6.221 -4.752 -14.070 688 HCM2 PGM 101 H262 PPG 103 -6.992 -3.709 -13.083 689 HCN1 PGM 101 H271 PPG 103 -4.906 -2.526 -12.760 690 HCN2 PGM 101 H272 PPG 103 -4.146 -3.643 -13.669 691 HCO1 PGM 101 H281 PPG 103 -5.738 -4.636 -11.544 692 HCO2 PGM 101 H282 PPG 103 -4.353 -3.887 -11.091 693 HCP1 PGM 101 H291 PPG 103 -4.061 -6.214 -11.075 694 HCP2 PGM 101 H292 PPG 103 -4.474 -6.288 -12.653 695 HCP3 PGM 101 H293 PPG 103 -3.096 -5.541 -12.213 Start of MODEL 3 1 H ALA 1 H ALA 1 0.604 0.609 -1.872 2 HA ALA 1 HA ALA 1 2.881 0.726 -1.989 3 HB1 ALA 1 HB1 ALA 1 3.028 -0.635 0.665 4 HB2 ALA 1 HB2 ALA 1 3.939 0.749 0.060 5 HB3 ALA 1 HB3 ALA 1 2.250 0.942 0.529 6 H ILE 2 H ILE 2 1.806 -1.567 -3.240 7 HA ILE 2 HA ILE 2 3.308 -3.892 -2.505 8 HB ILE 2 HB ILE 2 2.423 -4.915 -4.505 9 HG12 ILE 2 HG12 ILE 2 1.424 -2.151 -5.228 10 HG13 ILE 2 HG13 ILE 2 2.723 -3.020 -6.039 11 HG21 ILE 2 HG21 ILE 2 0.069 -3.329 -3.675 12 HG22 ILE 2 HG22 ILE 2 0.288 -5.076 -3.762 13 HG23 ILE 2 HG23 ILE 2 0.954 -4.171 -2.403 14 HD11 ILE 2 HD11 ILE 2 0.732 -3.184 -7.350 15 HD12 ILE 2 HD12 ILE 2 1.085 -4.770 -6.663 16 HD13 ILE 2 HD13 ILE 2 -0.188 -3.769 -5.964 17 H SER 3 H SER 3 4.468 -4.995 -4.549 18 HA SER 3 HA SER 3 6.676 -3.191 -5.175 19 HB2 SER 3 HB2 SER 3 6.375 -6.192 -5.371 20 HB3 SER 3 HB3 SER 3 7.799 -5.324 -5.945 21 HG SER 3 HG SER 3 8.466 -5.214 -3.965 22 H CYS 4 H CYS 4 6.602 -2.111 -7.022 23 HA CYS 4 HA CYS 4 4.838 -2.509 -9.114 24 HB2 CYS 4 HB2 CYS 4 6.375 -0.500 -8.612 25 HB3 CYS 4 HB3 CYS 4 7.588 -1.366 -9.549 26 H GLY 5 H GLY 5 7.929 -4.015 -8.500 27 HA2 GLY 5 HA2 GLY 5 8.383 -5.060 -11.090 28 HA3 GLY 5 HA3 GLY 5 9.082 -5.671 -9.598 29 H ALA 6 H ALA 6 6.385 -6.129 -8.441 30 HA ALA 6 HA ALA 6 5.993 -8.767 -9.573 31 HB1 ALA 6 HB1 ALA 6 6.031 -8.150 -7.071 32 HB2 ALA 6 HB2 ALA 6 4.368 -7.622 -7.333 33 HB3 ALA 6 HB3 ALA 6 4.819 -9.300 -7.639 34 H VAL 7 H VAL 7 4.548 -5.661 -9.779 35 HA VAL 7 HA VAL 7 1.902 -6.442 -10.445 36 HB VAL 7 HB VAL 7 3.353 -3.906 -11.215 37 HG11 VAL 7 HG11 VAL 7 0.864 -4.865 -12.031 38 HG12 VAL 7 HG12 VAL 7 0.513 -3.676 -10.775 39 HG13 VAL 7 HG13 VAL 7 1.473 -3.216 -12.182 40 HG21 VAL 7 HG21 VAL 7 1.504 -4.295 -8.875 41 HG22 VAL 7 HG22 VAL 7 3.254 -4.476 -8.744 42 HG23 VAL 7 HG23 VAL 7 2.561 -2.926 -9.219 43 H THR 8 H THR 8 4.615 -5.343 -12.481 44 HA THR 8 HA THR 8 3.263 -5.974 -14.919 45 HB THR 8 HB THR 8 5.349 -5.437 -16.037 46 HG1 THR 8 HG1 THR 8 6.567 -5.133 -13.489 47 HG21 THR 8 HG21 THR 8 5.135 -3.228 -15.672 48 HG22 THR 8 HG22 THR 8 5.516 -3.381 -13.956 49 HG23 THR 8 HG23 THR 8 3.877 -3.692 -14.527 50 H SER 9 H SER 9 5.657 -7.587 -12.900 51 HA SER 9 HA SER 9 6.403 -9.631 -14.654 52 HB2 SER 9 HB2 SER 9 6.356 -9.380 -11.663 53 HB3 SER 9 HB3 SER 9 6.781 -10.919 -12.411 54 HG SER 9 HG SER 9 8.052 -8.422 -12.871 55 H ASP 10 H ASP 10 3.714 -9.424 -12.368 56 HA ASP 10 HA ASP 10 2.778 -12.043 -12.569 57 HB2 ASP 10 HB2 ASP 10 1.420 -9.429 -11.962 58 HB3 ASP 10 HB3 ASP 10 0.504 -10.932 -12.032 59 H LEU 11 H LEU 11 2.628 -9.435 -14.818 60 HA LEU 11 HA LEU 11 0.645 -10.854 -16.452 61 HB2 LEU 11 HB2 LEU 11 1.678 -8.034 -16.481 62 HB3 LEU 11 HB3 LEU 11 0.746 -8.703 -17.819 63 HG LEU 11 HG LEU 11 -0.180 -8.234 -14.990 64 HD11 LEU 11 HD11 LEU 11 -0.092 -6.312 -16.603 65 HD12 LEU 11 HD12 LEU 11 -1.688 -6.671 -15.947 66 HD13 LEU 11 HD13 LEU 11 -1.275 -7.175 -17.585 67 HD21 LEU 11 HD21 LEU 11 -1.178 -10.062 -17.060 68 HD22 LEU 11 HD22 LEU 11 -2.395 -8.995 -16.358 69 HD23 LEU 11 HD23 LEU 11 -1.448 -10.060 -15.317 70 H SER 12 H SER 12 3.644 -11.378 -16.068 71 HA SER 12 HA SER 12 5.072 -10.772 -18.369 72 HB2 SER 12 HB2 SER 12 6.497 -11.747 -16.891 73 HB3 SER 12 HB3 SER 12 5.254 -12.818 -16.244 74 HG SER 12 HG SER 12 6.460 -14.209 -17.335 75 HA PRO 13 HA PRO 13 3.544 -14.907 -20.341 76 HB2 PRO 13 HB2 PRO 13 1.533 -16.225 -19.080 77 HB3 PRO 13 HB3 PRO 13 3.241 -16.514 -18.727 78 HG2 PRO 13 HG2 PRO 13 1.257 -14.835 -17.242 79 HG3 PRO 13 HG3 PRO 13 2.477 -15.952 -16.604 80 HD2 PRO 13 HD2 PRO 13 2.841 -13.269 -16.651 81 HD3 PRO 13 HD3 PRO 13 4.182 -14.418 -16.831 82 H CYS 14 H CYS 14 1.531 -12.504 -18.980 83 HA CYS 14 HA CYS 14 -0.697 -13.020 -20.777 84 HB2 CYS 14 HB2 CYS 14 -0.242 -10.842 -18.728 85 HB3 CYS 14 HB3 CYS 14 -1.714 -11.033 -19.676 86 H LEU 15 H LEU 15 2.064 -10.919 -20.494 87 HA LEU 15 HA LEU 15 1.474 -8.772 -22.054 88 HB2 LEU 15 HB2 LEU 15 3.696 -9.513 -20.950 89 HB3 LEU 15 HB3 LEU 15 4.033 -10.257 -22.511 90 HG LEU 15 HG LEU 15 3.899 -8.075 -23.593 91 HD11 LEU 15 HD11 LEU 15 2.488 -6.669 -22.521 92 HD12 LEU 15 HD12 LEU 15 3.986 -6.134 -21.759 93 HD13 LEU 15 HD13 LEU 15 2.926 -7.267 -20.921 94 HD21 LEU 15 HD21 LEU 15 5.795 -8.642 -21.397 95 HD22 LEU 15 HD22 LEU 15 5.802 -7.001 -22.044 96 HD23 LEU 15 HD23 LEU 15 6.091 -8.372 -23.115 97 H THR 16 H THR 16 2.245 -12.033 -23.169 98 HA THR 16 HA THR 16 2.462 -11.576 -25.894 99 HB THR 16 HB THR 16 1.278 -13.983 -24.498 100 HG1 THR 16 HG1 THR 16 3.430 -13.655 -23.924 101 HG21 THR 16 HG21 THR 16 0.799 -14.805 -26.512 102 HG22 THR 16 HG22 THR 16 2.504 -14.678 -26.948 103 HG23 THR 16 HG23 THR 16 1.406 -13.338 -27.280 104 H TYR 17 H TYR 17 -0.474 -12.792 -24.267 105 HA TYR 17 HA TYR 17 -2.171 -12.350 -26.465 106 HB2 TYR 17 HB2 TYR 17 -2.894 -13.889 -24.806 107 HB3 TYR 17 HB3 TYR 17 -2.713 -12.702 -23.519 108 HD1 TYR 17 HD1 TYR 17 -4.654 -11.794 -22.680 109 HD2 TYR 17 HD2 TYR 17 -4.582 -13.057 -26.742 110 HE1 TYR 17 HE1 TYR 17 -7.025 -11.180 -22.907 111 HE2 TYR 17 HE2 TYR 17 -6.952 -12.446 -26.981 112 HH TYR 17 HH TYR 17 -8.688 -10.784 -24.420 113 H LEU 18 H LEU 18 -1.178 -10.299 -23.810 114 HA LEU 18 HA LEU 18 -3.146 -8.280 -24.211 115 HB2 LEU 18 HB2 LEU 18 -0.475 -8.253 -22.822 116 HB3 LEU 18 HB3 LEU 18 -1.581 -6.881 -22.835 117 HG LEU 18 HG LEU 18 -2.053 -9.578 -21.571 118 HD11 LEU 18 HD11 LEU 18 -2.094 -8.317 -19.493 119 HD12 LEU 18 HD12 LEU 18 -1.775 -6.824 -20.375 120 HD13 LEU 18 HD13 LEU 18 -0.555 -8.096 -20.326 121 HD21 LEU 18 HD21 LEU 18 -4.226 -9.189 -21.814 122 HD22 LEU 18 HD22 LEU 18 -3.922 -7.603 -22.524 123 HD23 LEU 18 HD23 LEU 18 -4.032 -7.779 -20.772 124 H THR 19 H THR 19 -0.234 -9.106 -25.807 125 HA THR 19 HA THR 19 -0.021 -6.457 -27.050 126 HB THR 19 HB THR 19 2.109 -7.351 -28.029 127 HG1 THR 19 HG1 THR 19 2.889 -9.310 -27.238 128 HG21 THR 19 HG21 THR 19 2.839 -7.781 -25.325 129 HG22 THR 19 HG22 THR 19 1.547 -6.580 -25.341 130 HG23 THR 19 HG23 THR 19 3.014 -6.310 -26.282 131 H GLY 20 H GLY 20 -2.132 -8.494 -27.636 132 HA2 GLY 20 HA2 GLY 20 -3.322 -8.760 -29.643 133 HA3 GLY 20 HA3 GLY 20 -1.856 -8.384 -30.537 134 H GLY 21 H GLY 21 -0.738 -10.496 -28.403 135 HA2 GLY 21 HA2 GLY 21 -0.585 -12.626 -30.277 136 HA3 GLY 21 HA3 GLY 21 -0.041 -12.677 -28.607 137 HA PRO 22 HA PRO 22 -3.844 -15.378 -29.262 138 HB2 PRO 22 HB2 PRO 22 -2.658 -17.740 -28.644 139 HB3 PRO 22 HB3 PRO 22 -2.709 -17.091 -30.288 140 HG2 PRO 22 HG2 PRO 22 -0.489 -16.996 -28.281 141 HG3 PRO 22 HG3 PRO 22 -0.412 -17.338 -30.019 142 HD2 PRO 22 HD2 PRO 22 0.218 -14.918 -28.980 143 HD3 PRO 22 HD3 PRO 22 -0.508 -15.106 -30.589 144 H GLY 23 H GLY 23 -5.110 -16.200 -27.599 145 HA2 GLY 23 HA2 GLY 23 -4.715 -17.217 -25.215 146 HA3 GLY 23 HA3 GLY 23 -4.128 -15.589 -24.907 147 HA PRO 24 HA PRO 24 -4.631 -14.939 -23.116 148 HB2 PRO 24 HB2 PRO 24 -5.960 -15.322 -20.779 149 HB3 PRO 24 HB3 PRO 24 -5.968 -13.782 -21.648 150 HG2 PRO 24 HG2 PRO 24 -8.032 -15.950 -21.615 151 HG3 PRO 24 HG3 PRO 24 -8.254 -14.193 -21.529 152 HD2 PRO 24 HD2 PRO 24 -8.616 -15.596 -23.816 153 HD3 PRO 24 HD3 PRO 24 -8.018 -13.924 -23.806 154 H SER 25 H SER 25 -3.221 -16.467 -22.518 155 HA SER 25 HA SER 25 -3.853 -19.223 -22.768 156 HB2 SER 25 HB2 SER 25 -1.596 -19.595 -22.577 157 HB3 SER 25 HB3 SER 25 -1.557 -17.878 -22.981 158 HG SER 25 HG SER 25 -0.359 -17.928 -21.201 159 HA PRO 26 HA PRO 26 -5.036 -20.440 -18.724 160 HB2 PRO 26 HB2 PRO 26 -3.686 -22.769 -18.368 161 HB3 PRO 26 HB3 PRO 26 -5.056 -22.612 -19.473 162 HG2 PRO 26 HG2 PRO 26 -2.124 -22.570 -20.073 163 HG3 PRO 26 HG3 PRO 26 -3.433 -23.388 -20.947 164 HD2 PRO 26 HD2 PRO 26 -2.370 -21.040 -21.779 165 HD3 PRO 26 HD3 PRO 26 -4.074 -21.463 -22.041 166 H GLN 27 H GLN 27 -1.566 -20.389 -19.342 167 HA GLN 27 HA GLN 27 -0.837 -20.433 -16.569 168 HB2 GLN 27 HB2 GLN 27 0.815 -19.629 -18.969 169 HB3 GLN 27 HB3 GLN 27 1.430 -20.004 -17.365 170 HG2 GLN 27 HG2 GLN 27 0.721 -22.297 -17.582 171 HG3 GLN 27 HG3 GLN 27 -0.030 -21.947 -19.138 172 HE21 GLN 27 HE21 GLN 27 1.566 -20.862 -20.716 173 HE22 GLN 27 HE22 GLN 27 3.114 -21.618 -20.837 174 H CYS 28 H CYS 28 -1.601 -17.992 -18.920 175 HA CYS 28 HA CYS 28 -0.427 -15.795 -17.535 176 HB2 CYS 28 HB2 CYS 28 -0.770 -15.206 -19.719 177 HB3 CYS 28 HB3 CYS 28 -2.252 -16.148 -19.852 178 H CYS 29 H CYS 29 -3.784 -16.944 -17.844 179 HA CYS 29 HA CYS 29 -5.049 -15.083 -16.252 180 HB2 CYS 29 HB2 CYS 29 -5.589 -17.915 -16.979 181 HB3 CYS 29 HB3 CYS 29 -6.506 -17.246 -15.634 182 H GLY 30 H GLY 30 -3.161 -17.887 -15.290 183 HA2 GLY 30 HA2 GLY 30 -3.865 -18.099 -12.615 184 HA3 GLY 30 HA3 GLY 30 -2.275 -18.483 -13.258 185 H GLY 31 H GLY 31 -1.489 -15.929 -14.108 186 HA2 GLY 31 HA2 GLY 31 -0.643 -14.831 -11.596 187 HA3 GLY 31 HA3 GLY 31 -0.236 -14.219 -13.192 188 H VAL 32 H VAL 32 -2.868 -13.806 -14.145 189 HA VAL 32 HA VAL 32 -3.373 -11.210 -13.363 190 HB VAL 32 HB VAL 32 -5.378 -13.201 -14.435 191 HG11 VAL 32 HG11 VAL 32 -5.452 -10.185 -14.446 192 HG12 VAL 32 HG12 VAL 32 -6.640 -11.258 -15.188 193 HG13 VAL 32 HG13 VAL 32 -6.445 -11.233 -13.435 194 HG21 VAL 32 HG21 VAL 32 -3.931 -11.125 -16.037 195 HG22 VAL 32 HG22 VAL 32 -3.201 -12.700 -15.729 196 HG23 VAL 32 HG23 VAL 32 -4.738 -12.593 -16.587 197 H LYS 33 H LYS 33 -4.993 -14.167 -12.229 198 HA LYS 33 HA LYS 33 -6.774 -12.921 -10.456 199 HB2 LYS 33 HB2 LYS 33 -5.563 -15.689 -10.359 200 HB3 LYS 33 HB3 LYS 33 -6.913 -15.157 -9.365 201 HG2 LYS 33 HG2 LYS 33 -8.390 -15.378 -11.032 202 HG3 LYS 33 HG3 LYS 33 -7.281 -14.724 -12.238 203 HD2 LYS 33 HD2 LYS 33 -6.095 -16.875 -12.294 204 HD3 LYS 33 HD3 LYS 33 -7.231 -17.524 -11.109 205 HE2 LYS 33 HE2 LYS 33 -8.664 -16.349 -13.299 206 HE3 LYS 33 HE3 LYS 33 -7.477 -17.500 -13.911 207 HZ1 LYS 33 HZ1 LYS 33 -8.501 -19.243 -12.894 208 HZ2 LYS 33 HZ2 LYS 33 -9.854 -18.268 -13.176 209 HZ3 LYS 33 HZ3 LYS 33 -9.143 -18.304 -11.641 210 H LYS 34 H LYS 34 -3.488 -14.139 -9.993 211 HA LYS 34 HA LYS 34 -3.355 -13.757 -7.206 212 HB2 LYS 34 HB2 LYS 34 -1.721 -15.137 -8.306 213 HB3 LYS 34 HB3 LYS 34 -1.196 -13.798 -9.318 214 HG2 LYS 34 HG2 LYS 34 -0.009 -12.802 -7.626 215 HG3 LYS 34 HG3 LYS 34 -0.984 -13.547 -6.357 216 HD2 LYS 34 HD2 LYS 34 0.027 -15.730 -6.902 217 HD3 LYS 34 HD3 LYS 34 1.041 -14.939 -8.111 218 HE2 LYS 34 HE2 LYS 34 2.124 -13.623 -6.409 219 HE3 LYS 34 HE3 LYS 34 1.025 -14.242 -5.177 220 HZ1 LYS 34 HZ1 LYS 34 3.259 -15.600 -6.521 221 HZ2 LYS 34 HZ2 LYS 34 1.968 -16.520 -5.931 222 HZ3 LYS 34 HZ3 LYS 34 2.868 -15.551 -4.875 223 H LEU 35 H LEU 35 -2.629 -11.625 -9.925 224 HA LEU 35 HA LEU 35 -1.520 -9.519 -8.392 225 HB2 LEU 35 HB2 LEU 35 -1.036 -9.528 -10.691 226 HB3 LEU 35 HB3 LEU 35 -2.737 -9.670 -11.131 227 HG LEU 35 HG LEU 35 -3.130 -7.369 -10.487 228 HD11 LEU 35 HD11 LEU 35 -1.837 -6.349 -9.008 229 HD12 LEU 35 HD12 LEU 35 -0.499 -6.380 -10.156 230 HD13 LEU 35 HD13 LEU 35 -0.719 -7.713 -9.022 231 HD21 LEU 35 HD21 LEU 35 -1.972 -6.294 -12.253 232 HD22 LEU 35 HD22 LEU 35 -2.231 -7.962 -12.764 233 HD23 LEU 35 HD23 LEU 35 -0.645 -7.454 -12.183 234 H LEU 36 H LEU 36 -4.770 -9.974 -9.777 235 HA LEU 36 HA LEU 36 -5.882 -7.625 -8.695 236 HB2 LEU 36 HB2 LEU 36 -7.089 -10.205 -9.646 237 HB3 LEU 36 HB3 LEU 36 -8.075 -8.878 -9.038 238 HG LEU 36 HG LEU 36 -6.221 -8.690 -11.411 239 HD11 LEU 36 HD11 LEU 36 -7.971 -9.112 -12.821 240 HD12 LEU 36 HD12 LEU 36 -9.188 -8.633 -11.637 241 HD13 LEU 36 HD13 LEU 36 -8.377 -10.192 -11.486 242 HD21 LEU 36 HD21 LEU 36 -6.630 -6.576 -10.205 243 HD22 LEU 36 HD22 LEU 36 -8.364 -6.809 -10.427 244 HD23 LEU 36 HD23 LEU 36 -7.318 -6.578 -11.829 245 H ALA 37 H ALA 37 -5.726 -10.944 -7.489 246 HA ALA 37 HA ALA 37 -7.362 -10.568 -5.223 247 HB1 ALA 37 HB1 ALA 37 -5.213 -12.572 -5.860 248 HB2 ALA 37 HB2 ALA 37 -6.139 -12.611 -4.358 249 HB3 ALA 37 HB3 ALA 37 -6.963 -12.789 -5.907 250 H ALA 38 H ALA 38 -4.139 -9.610 -5.916 251 HA ALA 38 HA ALA 38 -3.349 -9.350 -3.141 252 HB1 ALA 38 HB1 ALA 38 -1.491 -9.844 -4.378 253 HB2 ALA 38 HB2 ALA 38 -2.033 -8.908 -5.772 254 HB3 ALA 38 HB3 ALA 38 -1.384 -8.083 -4.355 255 H ALA 39 H ALA 39 -4.553 -7.320 -5.731 256 HA ALA 39 HA ALA 39 -4.067 -4.851 -4.336 257 HB1 ALA 39 HB1 ALA 39 -4.088 -4.970 -6.792 258 HB2 ALA 39 HB2 ALA 39 -5.804 -5.374 -6.745 259 HB3 ALA 39 HB3 ALA 39 -5.253 -3.801 -6.170 260 H ASN 40 H ASN 40 -5.203 -5.846 -2.369 261 HA ASN 40 HA ASN 40 -8.114 -5.548 -2.520 262 HB2 ASN 40 HB2 ASN 40 -6.927 -7.578 -1.442 263 HB3 ASN 40 HB3 ASN 40 -6.595 -6.488 -0.099 264 HD21 ASN 40 HD21 ASN 40 -7.901 -8.253 0.942 265 HD22 ASN 40 HD22 ASN 40 -9.612 -8.023 1.004 266 H THR 41 H THR 41 -5.455 -3.709 -1.833 267 HA THR 41 HA THR 41 -6.902 -2.063 0.136 268 HB THR 41 HB THR 41 -4.371 -1.041 0.140 269 HG1 THR 41 HG1 THR 41 -3.928 -3.826 0.150 270 HG21 THR 41 HG21 THR 41 -4.205 -2.936 2.103 271 HG22 THR 41 HG22 THR 41 -5.946 -2.842 1.835 272 HG23 THR 41 HG23 THR 41 -5.038 -1.390 2.259 273 H THR 42 H THR 42 -6.324 0.326 -0.029 274 HA THR 42 HA THR 42 -7.102 1.260 -2.598 275 HB THR 42 HB THR 42 -6.338 2.595 -0.029 276 HG1 THR 42 HG1 THR 42 -8.487 3.493 -0.438 277 HG21 THR 42 HG21 THR 42 -5.321 4.171 -1.367 278 HG22 THR 42 HG22 THR 42 -6.985 4.758 -1.378 279 HG23 THR 42 HG23 THR 42 -6.367 3.832 -2.745 280 HA PRO 43 HA PRO 43 -2.581 2.992 -2.783 281 HB2 PRO 43 HB2 PRO 43 -0.801 1.947 -1.020 282 HB3 PRO 43 HB3 PRO 43 -1.769 3.384 -0.670 283 HG2 PRO 43 HG2 PRO 43 -2.218 0.546 0.171 284 HG3 PRO 43 HG3 PRO 43 -2.384 2.034 1.121 285 HD2 PRO 43 HD2 PRO 43 -4.511 0.745 0.050 286 HD3 PRO 43 HD3 PRO 43 -4.465 2.508 0.249 287 H ASP 44 H ASP 44 -3.555 -0.236 -2.427 288 HA ASP 44 HA ASP 44 -1.194 -1.380 -3.671 289 HB2 ASP 44 HB2 ASP 44 -3.680 -2.440 -2.431 290 HB3 ASP 44 HB3 ASP 44 -2.913 -3.432 -3.668 291 H ARG 45 H ARG 45 -4.531 -0.612 -4.502 292 HA ARG 45 HA ARG 45 -4.387 -1.783 -7.114 293 HB2 ARG 45 HB2 ARG 45 -6.382 0.267 -6.154 294 HB3 ARG 45 HB3 ARG 45 -6.580 -0.896 -7.458 295 HG2 ARG 45 HG2 ARG 45 -5.983 -2.323 -5.075 296 HG3 ARG 45 HG3 ARG 45 -7.274 -1.169 -4.733 297 HD2 ARG 45 HD2 ARG 45 -8.124 -2.140 -7.095 298 HD3 ARG 45 HD3 ARG 45 -7.260 -3.549 -6.480 299 HE ARG 45 HE ARG 45 -8.985 -3.880 -5.035 300 HH11 ARG 45 HH11 ARG 45 -8.966 -0.526 -5.970 301 HH12 ARG 45 HH12 ARG 45 -10.412 -0.140 -5.097 302 HH21 ARG 45 HH21 ARG 45 -10.889 -3.383 -3.882 303 HH22 ARG 45 HH22 ARG 45 -11.505 -1.765 -3.909 304 H GLN 46 H GLN 46 -4.110 1.482 -5.789 305 HA GLN 46 HA GLN 46 -4.031 2.904 -8.190 306 HB2 GLN 46 HB2 GLN 46 -2.583 3.525 -5.609 307 HB3 GLN 46 HB3 GLN 46 -2.890 4.665 -6.912 308 HG2 GLN 46 HG2 GLN 46 -5.176 4.736 -6.477 309 HG3 GLN 46 HG3 GLN 46 -5.138 3.242 -5.543 310 HE21 GLN 46 HE21 GLN 46 -6.242 5.777 -4.766 311 HE22 GLN 46 HE22 GLN 46 -5.391 6.284 -3.350 312 H ALA 47 H ALA 47 -1.320 1.659 -6.241 313 HA ALA 47 HA ALA 47 0.705 2.431 -8.042 314 HB1 ALA 47 HB1 ALA 47 0.557 0.506 -5.763 315 HB2 ALA 47 HB2 ALA 47 1.985 0.534 -6.798 316 HB3 ALA 47 HB3 ALA 47 1.501 1.987 -5.923 317 H ALA 48 H ALA 48 -0.947 -0.683 -7.569 318 HA ALA 48 HA ALA 48 0.414 -2.221 -9.410 319 HB1 ALA 48 HB1 ALA 48 -1.289 -3.082 -7.853 320 HB2 ALA 48 HB2 ALA 48 -2.546 -2.342 -8.845 321 HB3 ALA 48 HB3 ALA 48 -1.548 -3.636 -9.508 322 H CYS 49 H CYS 49 -2.501 -0.255 -9.991 323 HA CYS 49 HA CYS 49 -2.638 -0.777 -12.761 324 HB2 CYS 49 HB2 CYS 49 -4.527 0.095 -11.400 325 HB3 CYS 49 HB3 CYS 49 -3.686 1.636 -11.267 326 H ASN 50 H ASN 50 -1.514 2.139 -11.039 327 HA ASN 50 HA ASN 50 -0.610 3.586 -13.203 328 HB2 ASN 50 HB2 ASN 50 0.581 3.447 -10.424 329 HB3 ASN 50 HB3 ASN 50 0.942 4.699 -11.609 330 HD21 ASN 50 HD21 ASN 50 -0.198 5.012 -8.990 331 HD22 ASN 50 HD22 ASN 50 -1.750 5.740 -9.203 332 H CYS 51 H CYS 51 0.840 0.827 -11.653 333 HA CYS 51 HA CYS 51 3.445 1.129 -12.756 334 HB2 CYS 51 HB2 CYS 51 1.950 -1.066 -11.387 335 HB3 CYS 51 HB3 CYS 51 3.428 -1.469 -12.255 336 H LEU 52 H LEU 52 0.593 -0.754 -13.705 337 HA LEU 52 HA LEU 52 1.862 -1.857 -16.026 338 HB2 LEU 52 HB2 LEU 52 -1.000 -1.764 -15.102 339 HB3 LEU 52 HB3 LEU 52 -0.499 -2.542 -16.602 340 HG LEU 52 HG LEU 52 0.375 -3.339 -13.825 341 HD11 LEU 52 HD11 LEU 52 -1.917 -3.927 -14.137 342 HD12 LEU 52 HD12 LEU 52 -0.952 -5.388 -14.340 343 HD13 LEU 52 HD13 LEU 52 -1.594 -4.552 -15.754 344 HD21 LEU 52 HD21 LEU 52 1.375 -5.273 -14.940 345 HD22 LEU 52 HD22 LEU 52 2.103 -3.763 -15.490 346 HD23 LEU 52 HD23 LEU 52 0.931 -4.600 -16.509 347 H LYS 53 H LYS 53 -0.726 0.548 -15.552 348 HA LYS 53 HA LYS 53 -1.191 1.282 -18.150 349 HB2 LYS 53 HB2 LYS 53 -1.683 2.394 -15.563 350 HB3 LYS 53 HB3 LYS 53 -1.147 3.684 -16.630 351 HG2 LYS 53 HG2 LYS 53 -2.894 3.014 -18.249 352 HG3 LYS 53 HG3 LYS 53 -3.467 1.820 -17.082 353 HD2 LYS 53 HD2 LYS 53 -4.862 3.559 -16.575 354 HD3 LYS 53 HD3 LYS 53 -3.521 3.926 -15.486 355 HE2 LYS 53 HE2 LYS 53 -3.479 5.044 -18.248 356 HE3 LYS 53 HE3 LYS 53 -4.557 5.772 -17.057 357 HZ1 LYS 53 HZ1 LYS 53 -2.747 6.970 -16.554 358 HZ2 LYS 53 HZ2 LYS 53 -1.669 5.857 -17.231 359 HZ3 LYS 53 HZ3 LYS 53 -2.277 5.605 -15.673 360 H SER 54 H SER 54 1.166 2.851 -15.977 361 HA SER 54 HA SER 54 2.288 4.569 -17.856 362 HB2 SER 54 HB2 SER 54 2.642 4.419 -15.281 363 HB3 SER 54 HB3 SER 54 3.959 3.321 -15.691 364 HG SER 54 HG SER 54 4.870 5.308 -15.655 365 H ALA 55 H ALA 55 3.216 1.263 -16.976 366 HA ALA 55 HA ALA 55 5.481 1.097 -18.644 367 HB1 ALA 55 HB1 ALA 55 3.677 -1.038 -17.523 368 HB2 ALA 55 HB2 ALA 55 5.165 -1.377 -18.408 369 HB3 ALA 55 HB3 ALA 55 5.227 -0.489 -16.885 370 H ALA 56 H ALA 56 2.093 0.874 -19.294 371 HA ALA 56 HA ALA 56 2.289 -0.561 -21.755 372 HB1 ALA 56 HB1 ALA 56 0.068 -0.602 -21.631 373 HB2 ALA 56 HB2 ALA 56 0.225 0.235 -20.086 374 HB3 ALA 56 HB3 ALA 56 -0.033 1.158 -21.566 375 H GLY 57 H GLY 57 2.366 2.830 -20.839 376 HA2 GLY 57 HA2 GLY 57 1.959 4.005 -23.341 377 HA3 GLY 57 HA3 GLY 57 2.893 4.717 -22.034 378 H SER 58 H SER 58 4.701 2.289 -22.115 379 HA SER 58 HA SER 58 6.477 3.350 -24.163 380 HB2 SER 58 HB2 SER 58 7.164 1.099 -22.291 381 HB3 SER 58 HB3 SER 58 8.235 2.290 -23.028 382 HG SER 58 HG SER 58 8.011 3.113 -21.067 383 H ILE 59 H ILE 59 4.073 1.187 -24.195 384 HA ILE 59 HA ILE 59 5.464 -0.727 -25.940 385 HB ILE 59 HB ILE 59 2.659 -1.080 -24.926 386 HG12 ILE 59 HG12 ILE 59 5.219 -1.871 -23.518 387 HG13 ILE 59 HG13 ILE 59 4.050 -0.681 -22.956 388 HG21 ILE 59 HG21 ILE 59 2.783 -3.002 -26.027 389 HG22 ILE 59 HG22 ILE 59 4.385 -2.548 -26.605 390 HG23 ILE 59 HG23 ILE 59 4.216 -3.464 -25.108 391 HD11 ILE 59 HD11 ILE 59 3.182 -2.347 -21.771 392 HD12 ILE 59 HD12 ILE 59 2.517 -2.928 -23.299 393 HD13 ILE 59 HD13 ILE 59 4.045 -3.572 -22.700 394 H THR 60 H THR 60 4.883 -0.999 -28.039 395 HA THR 60 HA THR 60 2.954 0.937 -29.118 396 HB THR 60 HB THR 60 5.354 0.926 -29.957 397 HG1 THR 60 HG1 THR 60 3.442 0.422 -31.998 398 HG21 THR 60 HG21 THR 60 4.527 -1.412 -31.639 399 HG22 THR 60 HG22 THR 60 5.302 -1.667 -30.076 400 HG23 THR 60 HG23 THR 60 6.141 -0.768 -31.340 401 H LYS 61 H LYS 61 3.698 -2.462 -28.896 402 HA LYS 61 HA LYS 61 1.556 -3.171 -30.744 403 HB2 LYS 61 HB2 LYS 61 3.689 -4.739 -29.316 404 HB3 LYS 61 HB3 LYS 61 2.332 -5.547 -30.090 405 HG2 LYS 61 HG2 LYS 61 4.116 -3.628 -31.556 406 HG3 LYS 61 HG3 LYS 61 4.461 -5.355 -31.438 407 HD2 LYS 61 HD2 LYS 61 1.753 -4.511 -32.340 408 HD3 LYS 61 HD3 LYS 61 3.100 -4.351 -33.469 409 HE2 LYS 61 HE2 LYS 61 2.786 -6.917 -31.998 410 HE3 LYS 61 HE3 LYS 61 1.665 -6.568 -33.313 411 HZ1 LYS 61 HZ1 LYS 61 4.569 -6.999 -33.413 412 HZ2 LYS 61 HZ2 LYS 61 3.846 -6.018 -34.586 413 HZ3 LYS 61 HZ3 LYS 61 3.356 -7.628 -34.411 414 H LEU 62 H LEU 62 1.345 -2.003 -27.878 415 HA LEU 62 HA LEU 62 0.102 -3.966 -26.270 416 HB2 LEU 62 HB2 LEU 62 0.963 -1.960 -25.280 417 HB3 LEU 62 HB3 LEU 62 -0.096 -0.961 -26.273 418 HG LEU 62 HG LEU 62 -2.028 -2.097 -25.041 419 HD11 LEU 62 HD11 LEU 62 0.295 -3.248 -23.665 420 HD12 LEU 62 HD12 LEU 62 -1.360 -3.842 -23.798 421 HD13 LEU 62 HD13 LEU 62 -0.960 -2.606 -22.605 422 HD21 LEU 62 HD21 LEU 62 -1.518 0.198 -24.639 423 HD22 LEU 62 HD22 LEU 62 -0.114 -0.225 -23.659 424 HD23 LEU 62 HD23 LEU 62 -1.740 -0.580 -23.072 425 H ASN 63 H ASN 63 -1.850 -4.851 -26.392 426 HA ASN 63 HA ASN 63 -3.816 -3.643 -28.211 427 HB2 ASN 63 HB2 ASN 63 -3.451 -6.478 -27.235 428 HB3 ASN 63 HB3 ASN 63 -4.883 -5.946 -28.112 429 HD21 ASN 63 HD21 ASN 63 -4.805 -6.549 -30.141 430 HD22 ASN 63 HD22 ASN 63 -3.404 -6.562 -31.152 431 H THR 64 H THR 64 -4.713 -2.151 -26.780 432 HA THR 64 HA THR 64 -5.485 -2.523 -24.164 433 HB THR 64 HB THR 64 -7.091 -0.725 -24.460 434 HG1 THR 64 HG1 THR 64 -6.749 -1.310 -27.221 435 HG21 THR 64 HG21 THR 64 -5.616 0.970 -25.149 436 HG22 THR 64 HG22 THR 64 -4.801 -0.087 -26.301 437 HG23 THR 64 HG23 THR 64 -4.564 -0.320 -24.569 438 H ASN 65 H ASN 65 -6.996 -3.709 -27.067 439 HA ASN 65 HA ASN 65 -9.545 -4.296 -26.019 440 HB2 ASN 65 HB2 ASN 65 -7.968 -5.146 -28.395 441 HB3 ASN 65 HB3 ASN 65 -9.334 -6.157 -27.932 442 HD21 ASN 65 HD21 ASN 65 -10.492 -5.636 -29.770 443 HD22 ASN 65 HD22 ASN 65 -11.217 -4.085 -30.000 444 H ASN 66 H ASN 66 -6.571 -6.210 -26.229 445 HA ASN 66 HA ASN 66 -7.749 -8.534 -25.035 446 HB2 ASN 66 HB2 ASN 66 -4.878 -7.765 -25.586 447 HB3 ASN 66 HB3 ASN 66 -5.355 -9.316 -24.901 448 HD21 ASN 66 HD21 ASN 66 -4.191 -8.258 -27.558 449 HD22 ASN 66 HD22 ASN 66 -5.104 -9.116 -28.748 450 H ALA 67 H ALA 67 -6.454 -5.610 -23.853 451 HA ALA 67 HA ALA 67 -5.574 -6.586 -21.304 452 HB1 ALA 67 HB1 ALA 67 -5.675 -4.076 -20.742 453 HB2 ALA 67 HB2 ALA 67 -4.515 -4.619 -21.956 454 HB3 ALA 67 HB3 ALA 67 -6.025 -3.857 -22.457 455 H ALA 68 H ALA 68 -8.512 -5.077 -22.557 456 HA ALA 68 HA ALA 68 -9.778 -4.891 -19.993 457 HB1 ALA 68 HB1 ALA 68 -10.410 -4.164 -22.742 458 HB2 ALA 68 HB2 ALA 68 -11.807 -4.755 -21.840 459 HB3 ALA 68 HB3 ALA 68 -10.875 -3.388 -21.227 460 H ALA 69 H ALA 69 -9.808 -7.184 -22.662 461 HA ALA 69 HA ALA 69 -11.879 -8.799 -21.432 462 HB1 ALA 69 HB1 ALA 69 -10.259 -9.116 -23.948 463 HB2 ALA 69 HB2 ALA 69 -11.414 -10.325 -23.384 464 HB3 ALA 69 HB3 ALA 69 -11.967 -8.702 -23.798 465 H LEU 70 H LEU 70 -8.543 -8.471 -21.145 466 HA LEU 70 HA LEU 70 -7.618 -11.077 -20.854 467 HB2 LEU 70 HB2 LEU 70 -5.897 -9.594 -20.803 468 HB3 LEU 70 HB3 LEU 70 -6.798 -8.416 -19.850 469 HG LEU 70 HG LEU 70 -6.381 -9.731 -17.829 470 HD11 LEU 70 HD11 LEU 70 -5.934 -11.895 -18.029 471 HD12 LEU 70 HD12 LEU 70 -4.320 -11.451 -18.582 472 HD13 LEU 70 HD13 LEU 70 -5.607 -11.729 -19.755 473 HD21 LEU 70 HD21 LEU 70 -4.724 -8.012 -18.912 474 HD22 LEU 70 HD22 LEU 70 -3.703 -9.437 -19.104 475 HD23 LEU 70 HD23 LEU 70 -4.248 -8.953 -17.498 476 HA PRO 71 HA PRO 71 -8.710 -10.855 -16.155 477 HB2 PRO 71 HB2 PRO 71 -10.238 -8.771 -15.324 478 HB3 PRO 71 HB3 PRO 71 -8.472 -8.711 -15.365 479 HG2 PRO 71 HG2 PRO 71 -10.451 -7.626 -17.332 480 HG3 PRO 71 HG3 PRO 71 -8.972 -6.877 -16.704 481 HD2 PRO 71 HD2 PRO 71 -9.084 -8.065 -19.134 482 HD3 PRO 71 HD3 PRO 71 -7.612 -8.059 -18.142 483 H GLY 72 H GLY 72 -11.050 -9.746 -18.520 484 HA2 GLY 72 HA2 GLY 72 -13.350 -10.758 -17.149 485 HA3 GLY 72 HA3 GLY 72 -13.283 -10.238 -18.826 486 H LYS 73 H LYS 73 -11.316 -11.971 -19.786 487 HA LYS 73 HA LYS 73 -12.867 -14.304 -20.253 488 HB2 LYS 73 HB2 LYS 73 -10.193 -13.305 -21.089 489 HB3 LYS 73 HB3 LYS 73 -10.490 -15.033 -21.234 490 HG2 LYS 73 HG2 LYS 73 -12.288 -14.694 -22.731 491 HG3 LYS 73 HG3 LYS 73 -12.329 -12.961 -22.397 492 HD2 LYS 73 HD2 LYS 73 -9.896 -12.981 -23.288 493 HD3 LYS 73 HD3 LYS 73 -10.343 -14.535 -23.996 494 HE2 LYS 73 HE2 LYS 73 -12.453 -13.035 -24.751 495 HE3 LYS 73 HE3 LYS 73 -11.193 -11.802 -24.712 496 HZ1 LYS 73 HZ1 LYS 73 -11.636 -13.267 -26.837 497 HZ2 LYS 73 HZ2 LYS 73 -10.577 -14.326 -26.051 498 HZ3 LYS 73 HZ3 LYS 73 -10.077 -12.754 -26.425 499 H CYS 74 H CYS 74 -10.676 -13.439 -17.803 500 HA CYS 74 HA CYS 74 -9.854 -16.143 -17.175 501 HB2 CYS 74 HB2 CYS 74 -9.396 -13.477 -15.838 502 HB3 CYS 74 HB3 CYS 74 -8.848 -14.995 -15.135 503 H GLY 75 H GLY 75 -12.495 -14.113 -16.483 504 HA2 GLY 75 HA2 GLY 75 -14.458 -14.985 -15.440 505 HA3 GLY 75 HA3 GLY 75 -13.438 -16.047 -14.482 506 H VAL 76 H VAL 76 -11.675 -13.504 -14.141 507 HA VAL 76 HA VAL 76 -12.921 -12.717 -11.648 508 HB VAL 76 HB VAL 76 -10.541 -13.098 -11.607 509 HG11 VAL 76 HG11 VAL 76 -9.044 -11.475 -12.868 510 HG12 VAL 76 HG12 VAL 76 -9.850 -12.719 -13.825 511 HG13 VAL 76 HG13 VAL 76 -10.470 -11.067 -13.821 512 HG21 VAL 76 HG21 VAL 76 -10.771 -10.118 -11.445 513 HG22 VAL 76 HG22 VAL 76 -11.663 -11.146 -10.325 514 HG23 VAL 76 HG23 VAL 76 -9.903 -11.229 -10.387 515 H ASN 77 H ASN 77 -13.749 -10.736 -11.146 516 HA ASN 77 HA ASN 77 -14.498 -9.050 -13.378 517 HB2 ASN 77 HB2 ASN 77 -15.227 -9.062 -10.451 518 HB3 ASN 77 HB3 ASN 77 -15.748 -7.784 -11.544 519 HD21 ASN 77 HD21 ASN 77 -16.597 -10.656 -10.188 520 HD22 ASN 77 HD22 ASN 77 -17.810 -11.157 -11.311 521 H ILE 78 H ILE 78 -14.415 -6.616 -13.010 522 HA ILE 78 HA ILE 78 -11.955 -5.802 -11.633 523 HB ILE 78 HB ILE 78 -12.630 -4.801 -14.393 524 HG12 ILE 78 HG12 ILE 78 -10.427 -6.290 -14.809 525 HG13 ILE 78 HG13 ILE 78 -11.174 -7.240 -13.529 526 HG21 ILE 78 HG21 ILE 78 -11.258 -3.301 -13.109 527 HG22 ILE 78 HG22 ILE 78 -10.167 -4.613 -12.667 528 HG23 ILE 78 HG23 ILE 78 -10.261 -4.070 -14.343 529 HD11 ILE 78 HD11 ILE 78 -12.175 -8.241 -15.275 530 HD12 ILE 78 HD12 ILE 78 -13.295 -6.887 -15.124 531 HD13 ILE 78 HD13 ILE 78 -12.003 -6.833 -16.323 532 HA PRO 79 HA PRO 79 -14.660 -2.629 -10.145 533 HB2 PRO 79 HB2 PRO 79 -12.759 -1.097 -8.958 534 HB3 PRO 79 HB3 PRO 79 -13.341 -2.615 -8.264 535 HG2 PRO 79 HG2 PRO 79 -10.857 -2.086 -9.849 536 HG3 PRO 79 HG3 PRO 79 -11.065 -3.073 -8.391 537 HD2 PRO 79 HD2 PRO 79 -10.924 -4.149 -10.872 538 HD3 PRO 79 HD3 PRO 79 -11.898 -4.868 -9.573 539 H TYR 80 H TYR 80 -11.693 -1.832 -11.909 540 HA TYR 80 HA TYR 80 -12.783 0.764 -12.673 541 HB2 TYR 80 HB2 TYR 80 -10.138 -0.354 -13.574 542 HB3 TYR 80 HB3 TYR 80 -10.620 1.331 -13.413 543 HD1 TYR 80 HD1 TYR 80 -8.526 -0.985 -12.063 544 HD2 TYR 80 HD2 TYR 80 -11.521 1.768 -10.817 545 HE1 TYR 80 HE1 TYR 80 -7.524 -0.921 -9.818 546 HE2 TYR 80 HE2 TYR 80 -10.527 1.841 -8.569 547 HH TYR 80 HH TYR 80 -7.572 0.972 -7.836 548 H LYS 81 H LYS 81 -12.876 -2.372 -13.788 549 HA LYS 81 HA LYS 81 -13.527 -3.346 -15.738 550 HB2 LYS 81 HB2 LYS 81 -14.629 -0.586 -15.943 551 HB3 LYS 81 HB3 LYS 81 -14.645 -1.583 -17.392 552 HG2 LYS 81 HG2 LYS 81 -15.833 -2.411 -14.753 553 HG3 LYS 81 HG3 LYS 81 -16.743 -1.672 -16.072 554 HD2 LYS 81 HD2 LYS 81 -15.702 -3.614 -17.482 555 HD3 LYS 81 HD3 LYS 81 -15.494 -4.381 -15.906 556 HE2 LYS 81 HE2 LYS 81 -18.129 -3.235 -16.780 557 HE3 LYS 81 HE3 LYS 81 -17.646 -4.878 -17.200 558 HZ1 LYS 81 HZ1 LYS 81 -19.017 -4.499 -15.083 559 HZ2 LYS 81 HZ2 LYS 81 -17.566 -3.964 -14.398 560 HZ3 LYS 81 HZ3 LYS 81 -17.687 -5.541 -15.000 561 H ILE 82 H ILE 82 -10.856 -1.967 -15.466 562 HA ILE 82 HA ILE 82 -8.988 -1.642 -16.724 563 HB ILE 82 HB ILE 82 -10.620 -3.185 -18.736 564 HG12 ILE 82 HG12 ILE 82 -9.927 -4.335 -16.623 565 HG13 ILE 82 HG13 ILE 82 -9.262 -5.065 -18.081 566 HG21 ILE 82 HG21 ILE 82 -9.165 -2.305 -20.222 567 HG22 ILE 82 HG22 ILE 82 -7.985 -1.885 -18.982 568 HG23 ILE 82 HG23 ILE 82 -8.092 -3.543 -19.571 569 HD11 ILE 82 HD11 ILE 82 -7.888 -4.205 -15.797 570 HD12 ILE 82 HD12 ILE 82 -7.210 -4.821 -17.304 571 HD13 ILE 82 HD13 ILE 82 -7.453 -3.088 -17.090 572 H SER 83 H SER 83 -8.872 0.538 -16.952 573 HA SER 83 HA SER 83 -9.724 1.620 -19.525 574 HB2 SER 83 HB2 SER 83 -11.581 2.250 -18.143 575 HB3 SER 83 HB3 SER 83 -10.510 2.789 -16.849 576 HG SER 83 HG SER 83 -10.233 3.975 -19.362 577 H THR 84 H THR 84 -7.794 2.150 -20.334 578 HA THR 84 HA THR 84 -5.586 3.002 -18.756 579 HB THR 84 HB THR 84 -4.774 3.758 -21.172 580 HG1 THR 84 HG1 THR 84 -6.280 3.356 -22.601 581 HG21 THR 84 HG21 THR 84 -5.115 0.907 -20.240 582 HG22 THR 84 HG22 THR 84 -3.737 1.968 -19.947 583 HG23 THR 84 HG23 THR 84 -4.078 1.396 -21.580 584 H THR 85 H THR 85 -8.338 4.611 -19.759 585 HA THR 85 HA THR 85 -7.040 7.222 -19.964 586 HB THR 85 HB THR 85 -9.146 8.097 -20.695 587 HG1 THR 85 HG1 THR 85 -10.881 7.234 -19.857 588 HG21 THR 85 HG21 THR 85 -9.461 5.605 -22.167 589 HG22 THR 85 HG22 THR 85 -7.777 6.119 -22.056 590 HG23 THR 85 HG23 THR 85 -8.987 7.203 -22.741 591 H THR 86 H THR 86 -8.885 5.289 -17.765 592 HA THR 86 HA THR 86 -9.745 7.441 -16.081 593 HB THR 86 HB THR 86 -9.572 4.476 -15.511 594 HG1 THR 86 HG1 THR 86 -11.719 4.459 -16.095 595 HG21 THR 86 HG21 THR 86 -11.485 5.380 -13.854 596 HG22 THR 86 HG22 THR 86 -10.429 6.793 -13.884 597 HG23 THR 86 HG23 THR 86 -9.793 5.227 -13.381 598 H ASN 87 H ASN 87 -8.920 8.083 -14.096 599 HA ASN 87 HA ASN 87 -6.066 7.714 -13.790 600 HB2 ASN 87 HB2 ASN 87 -7.106 9.949 -13.531 601 HB3 ASN 87 HB3 ASN 87 -7.990 9.356 -12.128 602 HD21 ASN 87 HD21 ASN 87 -6.734 11.358 -11.372 603 HD22 ASN 87 HD22 ASN 87 -5.205 11.040 -10.633 604 H CYS 88 H CYS 88 -5.455 5.853 -12.871 605 HA CYS 88 HA CYS 88 -7.004 4.444 -10.949 606 HB2 CYS 88 HB2 CYS 88 -4.049 4.082 -11.438 607 HB3 CYS 88 HB3 CYS 88 -5.206 2.885 -10.866 608 H ASN 89 H ASN 89 -5.061 7.167 -10.696 609 HA ASN 89 HA ASN 89 -4.091 6.673 -8.020 610 HB2 ASN 89 HB2 ASN 89 -4.123 9.266 -9.580 611 HB3 ASN 89 HB3 ASN 89 -3.168 8.915 -8.142 612 HD21 ASN 89 HD21 ASN 89 -1.130 8.535 -8.564 613 HD22 ASN 89 HD22 ASN 89 -0.500 7.778 -9.983 614 H THR 90 H THR 90 -6.967 7.793 -9.432 615 HA THR 90 HA THR 90 -7.771 9.253 -7.020 616 HB THR 90 HB THR 90 -9.826 9.820 -8.392 617 HG1 THR 90 HG1 THR 90 -9.886 9.241 -10.480 618 HG21 THR 90 HG21 THR 90 -8.389 11.605 -8.291 619 HG22 THR 90 HG22 THR 90 -8.354 11.289 -10.025 620 HG23 THR 90 HG23 THR 90 -7.047 10.705 -8.995 621 H VAL 91 H VAL 91 -7.594 6.196 -7.617 622 HA VAL 91 HA VAL 91 -10.340 5.371 -7.177 623 HB VAL 91 HB VAL 91 -9.585 3.131 -7.372 624 HG11 VAL 91 HG11 VAL 91 -9.644 4.348 -9.475 625 HG12 VAL 91 HG12 VAL 91 -7.968 4.852 -9.250 626 HG13 VAL 91 HG13 VAL 91 -8.353 3.148 -9.494 627 HG21 VAL 91 HG21 VAL 91 -6.833 3.166 -7.710 628 HG22 VAL 91 HG22 VAL 91 -7.113 4.223 -6.327 629 HG23 VAL 91 HG23 VAL 91 -7.711 2.565 -6.304 630 H LYS 92 H LYS 92 -10.857 3.865 -5.390 631 HA LYS 92 HA LYS 92 -9.226 4.181 -2.990 632 HB2 LYS 92 HB2 LYS 92 -10.975 5.056 -1.643 633 HB3 LYS 92 HB3 LYS 92 -10.924 6.056 -3.089 634 HG2 LYS 92 HG2 LYS 92 -13.096 5.699 -3.319 635 HG3 LYS 92 HG3 LYS 92 -12.725 4.012 -3.684 636 HD2 LYS 92 HD2 LYS 92 -14.192 3.771 -1.929 637 HD3 LYS 92 HD3 LYS 92 -12.648 3.783 -1.075 638 HE2 LYS 92 HE2 LYS 92 -12.972 6.264 -0.768 639 HE3 LYS 92 HE3 LYS 92 -14.611 6.046 -1.379 640 HZ1 LYS 92 HZ1 LYS 92 -13.852 4.247 0.757 641 HZ2 LYS 92 HZ2 LYS 92 -15.285 5.116 0.530 642 HZ3 LYS 92 HZ3 LYS 92 -13.933 5.878 1.202 643 H PHE 93 H PHE 93 -10.485 2.963 -1.107 644 HA PHE 93 HA PHE 93 -11.801 0.565 -2.134 645 HB2 PHE 93 HB2 PHE 93 -9.562 -0.205 -2.101 646 HB3 PHE 93 HB3 PHE 93 -9.225 0.599 -0.572 647 HD1 PHE 93 HD1 PHE 93 -11.667 -1.904 -1.885 648 HD2 PHE 93 HD2 PHE 93 -9.006 -0.777 1.240 649 HE1 PHE 93 HE1 PHE 93 -12.207 -3.980 -0.680 650 HE2 PHE 93 HE2 PHE 93 -9.541 -2.852 2.449 651 HZ PHE 93 HZ PHE 93 -11.143 -4.457 1.489 652 HC11 PGM 101 H11 PPG 103 8.412 -9.814 -20.370 653 HC12 PGM 101 H12 PPG 103 7.742 -10.359 -21.762 654 HO1 PGM 101 H1 PPG 103 9.463 -11.759 -20.048 655 HC2 PGM 101 H2A PPG 103 10.648 -10.120 -21.637 656 HO2 PGM 101 H2 PPG 103 9.252 -11.204 -23.338 657 HC31 PGM 101 H31 PPG 103 8.619 -8.083 -22.238 658 HC32 PGM 101 H32 PPG 103 10.167 -7.917 -22.752 659 HC71 PGM 101 H91 PPG 103 8.463 -5.942 -18.392 660 HC72 PGM 101 H92 PPG 103 8.387 -7.400 -19.106 661 HC8 PGM 101 H10A PPG 103 6.509 -7.113 -17.676 662 HO8 PGM 101 H10 PPG 103 4.817 -7.150 -19.516 663 HC91 PGM 101 H111 PPG 103 6.136 -4.761 -19.378 664 HC92 PGM 101 H112 PPG 103 6.133 -4.765 -17.750 665 HCB1 PGM 101 H151 PPG 103 1.908 -5.563 -19.075 666 HCB2 PGM 101 H152 PPG 103 1.920 -4.842 -20.539 667 HCC1 PGM 101 H161 PPG 103 1.894 -2.687 -19.485 668 HCC2 PGM 101 H162 PPG 103 1.932 -3.397 -18.018 669 HCD1 PGM 101 H171 PPG 103 -0.190 -4.103 -18.156 670 HCD2 PGM 101 H172 PPG 103 -0.101 -4.309 -19.767 671 HCE1 PGM 101 H181 PPG 103 -0.308 -1.951 -20.062 672 HCE2 PGM 101 H182 PPG 103 -0.435 -1.772 -18.449 673 HCF1 PGM 101 H191 PPG 103 -2.335 -3.411 -19.754 674 HCF2 PGM 101 H192 PPG 103 -2.479 -1.798 -19.933 675 HCG1 PGM 101 H201 PPG 103 -2.485 -2.975 -17.327 676 HCG2 PGM 101 H202 PPG 103 -3.857 -2.837 -18.190 677 HCH1 PGM 101 H211 PPG 103 -3.723 -0.489 -18.130 678 HCH2 PGM 101 H212 PPG 103 -2.254 -0.561 -17.417 679 HCI1 PGM 101 H221 PPG 103 -3.644 -0.346 -15.597 680 HCI2 PGM 101 H222 PPG 103 -3.418 -1.966 -15.671 681 HCJ1 PGM 101 H231 PPG 103 -5.477 -2.118 -16.933 682 HCJ2 PGM 101 H232 PPG 103 -5.725 -0.529 -16.625 683 HCK1 PGM 101 H241 PPG 103 -6.978 -1.573 -15.028 684 HCK2 PGM 101 H242 PPG 103 -5.620 -1.163 -14.220 685 HCL1 PGM 101 H251 PPG 103 -5.499 -3.716 -15.469 686 HCL2 PGM 101 H252 PPG 103 -6.538 -3.629 -14.208 687 HCM1 PGM 101 H261 PPG 103 -3.999 -2.350 -13.802 688 HCM2 PGM 101 H262 PPG 103 -3.968 -3.979 -13.779 689 HCN1 PGM 101 H271 PPG 103 -5.997 -2.576 -12.293 690 HCN2 PGM 101 H272 PPG 103 -4.546 -2.835 -11.602 691 HCO1 PGM 101 H281 PPG 103 -6.220 -4.907 -12.715 692 HCO2 PGM 101 H282 PPG 103 -6.073 -4.621 -11.108 693 HCP1 PGM 101 H291 PPG 103 -4.918 -6.577 -11.693 694 HCP2 PGM 101 H292 PPG 103 -4.013 -5.736 -12.761 695 HCP3 PGM 101 H293 PPG 103 -3.861 -5.444 -11.167 Start of MODEL 4 1 H ALA 1 H ALA 1 4.228 -0.711 0.754 2 HA ALA 1 HA ALA 1 2.140 -0.833 -1.287 3 HB1 ALA 1 HB1 ALA 1 4.551 0.691 -0.930 4 HB2 ALA 1 HB2 ALA 1 4.565 -0.128 -2.492 5 HB3 ALA 1 HB3 ALA 1 3.226 0.939 -2.068 6 H ILE 2 H ILE 2 2.443 -2.017 -3.250 7 HA ILE 2 HA ILE 2 3.609 -4.610 -2.803 8 HB ILE 2 HB ILE 2 2.662 -5.245 -4.922 9 HG12 ILE 2 HG12 ILE 2 2.053 -2.306 -5.311 10 HG13 ILE 2 HG13 ILE 2 3.260 -3.232 -6.196 11 HG21 ILE 2 HG21 ILE 2 0.473 -3.502 -4.005 12 HG22 ILE 2 HG22 ILE 2 0.524 -5.252 -4.209 13 HG23 ILE 2 HG23 ILE 2 1.218 -4.513 -2.766 14 HD11 ILE 2 HD11 ILE 2 1.401 -3.057 -7.616 15 HD12 ILE 2 HD12 ILE 2 1.357 -4.700 -6.977 16 HD13 ILE 2 HD13 ILE 2 0.274 -3.470 -6.324 17 H SER 3 H SER 3 4.586 -5.460 -5.143 18 HA SER 3 HA SER 3 6.975 -3.782 -5.522 19 HB2 SER 3 HB2 SER 3 6.894 -6.671 -6.310 20 HB3 SER 3 HB3 SER 3 8.263 -5.696 -5.774 21 HG SER 3 HG SER 3 7.641 -7.115 -4.135 22 H CYS 4 H CYS 4 6.913 -2.646 -7.338 23 HA CYS 4 HA CYS 4 5.189 -2.991 -9.472 24 HB2 CYS 4 HB2 CYS 4 6.751 -1.008 -8.883 25 HB3 CYS 4 HB3 CYS 4 7.945 -1.855 -9.861 26 H GLY 5 H GLY 5 8.214 -4.575 -8.797 27 HA2 GLY 5 HA2 GLY 5 8.729 -5.549 -11.415 28 HA3 GLY 5 HA3 GLY 5 9.400 -6.191 -9.923 29 H ALA 6 H ALA 6 6.723 -6.693 -8.791 30 HA ALA 6 HA ALA 6 6.316 -9.286 -10.018 31 HB1 ALA 6 HB1 ALA 6 5.114 -9.873 -8.104 32 HB2 ALA 6 HB2 ALA 6 6.378 -8.799 -7.504 33 HB3 ALA 6 HB3 ALA 6 4.735 -8.195 -7.715 34 H VAL 7 H VAL 7 4.996 -6.183 -10.302 35 HA VAL 7 HA VAL 7 2.296 -6.905 -10.901 36 HB VAL 7 HB VAL 7 3.797 -4.387 -11.634 37 HG11 VAL 7 HG11 VAL 7 0.973 -4.068 -11.230 38 HG12 VAL 7 HG12 VAL 7 1.950 -3.678 -12.646 39 HG13 VAL 7 HG13 VAL 7 1.276 -5.297 -12.457 40 HG21 VAL 7 HG21 VAL 7 1.886 -4.703 -9.343 41 HG22 VAL 7 HG22 VAL 7 3.607 -5.044 -9.160 42 HG23 VAL 7 HG23 VAL 7 3.072 -3.430 -9.628 43 H THR 8 H THR 8 5.100 -5.992 -12.891 44 HA THR 8 HA THR 8 3.726 -6.458 -15.360 45 HB THR 8 HB THR 8 5.937 -6.165 -16.418 46 HG1 THR 8 HG1 THR 8 7.041 -5.625 -13.878 47 HG21 THR 8 HG21 THR 8 4.480 -4.265 -14.948 48 HG22 THR 8 HG22 THR 8 5.603 -3.965 -16.275 49 HG23 THR 8 HG23 THR 8 6.180 -3.942 -14.609 50 H SER 9 H SER 9 6.156 -8.229 -13.476 51 HA SER 9 HA SER 9 6.639 -10.323 -15.230 52 HB2 SER 9 HB2 SER 9 7.623 -9.717 -12.835 53 HB3 SER 9 HB3 SER 9 6.460 -10.935 -12.314 54 HG SER 9 HG SER 9 7.724 -12.417 -13.086 55 H ASP 10 H ASP 10 4.064 -9.947 -12.836 56 HA ASP 10 HA ASP 10 2.942 -12.498 -13.028 57 HB2 ASP 10 HB2 ASP 10 1.854 -9.808 -12.266 58 HB3 ASP 10 HB3 ASP 10 0.771 -11.191 -12.395 59 H LEU 11 H LEU 11 2.953 -9.905 -15.265 60 HA LEU 11 HA LEU 11 0.759 -11.110 -16.803 61 HB2 LEU 11 HB2 LEU 11 2.035 -8.391 -16.868 62 HB3 LEU 11 HB3 LEU 11 0.979 -8.964 -18.158 63 HG LEU 11 HG LEU 11 0.244 -8.445 -15.282 64 HD11 LEU 11 HD11 LEU 11 -1.343 -6.859 -16.326 65 HD12 LEU 11 HD12 LEU 11 -0.606 -7.201 -17.891 66 HD13 LEU 11 HD13 LEU 11 0.347 -6.447 -16.614 67 HD21 LEU 11 HD21 LEU 11 -1.003 -10.165 -17.298 68 HD22 LEU 11 HD22 LEU 11 -2.093 -8.981 -16.575 69 HD23 LEU 11 HD23 LEU 11 -1.221 -10.120 -15.548 70 H SER 12 H SER 12 3.752 -11.840 -16.554 71 HA SER 12 HA SER 12 5.081 -11.353 -18.942 72 HB2 SER 12 HB2 SER 12 6.528 -12.391 -17.529 73 HB3 SER 12 HB3 SER 12 5.262 -13.374 -16.793 74 HG SER 12 HG SER 12 6.898 -13.912 -18.961 75 HA PRO 13 HA PRO 13 3.199 -15.416 -20.749 76 HB2 PRO 13 HB2 PRO 13 1.191 -16.593 -19.352 77 HB3 PRO 13 HB3 PRO 13 2.896 -16.978 -19.092 78 HG2 PRO 13 HG2 PRO 13 1.104 -15.162 -17.527 79 HG3 PRO 13 HG3 PRO 13 2.291 -16.341 -16.939 80 HD2 PRO 13 HD2 PRO 13 2.809 -13.686 -17.055 81 HD3 PRO 13 HD3 PRO 13 4.068 -14.915 -17.290 82 H CYS 14 H CYS 14 1.398 -12.892 -19.301 83 HA CYS 14 HA CYS 14 -0.955 -13.295 -20.958 84 HB2 CYS 14 HB2 CYS 14 -0.258 -11.073 -19.026 85 HB3 CYS 14 HB3 CYS 14 -1.810 -11.269 -19.834 86 H LEU 15 H LEU 15 1.948 -11.382 -20.906 87 HA LEU 15 HA LEU 15 1.399 -9.224 -22.468 88 HB2 LEU 15 HB2 LEU 15 3.635 -10.096 -21.499 89 HB3 LEU 15 HB3 LEU 15 3.815 -10.891 -23.061 90 HG LEU 15 HG LEU 15 3.799 -8.752 -24.193 91 HD11 LEU 15 HD11 LEU 15 4.063 -6.815 -22.269 92 HD12 LEU 15 HD12 LEU 15 2.775 -7.832 -21.625 93 HD13 LEU 15 HD13 LEU 15 2.617 -7.122 -23.231 94 HD21 LEU 15 HD21 LEU 15 5.960 -8.263 -23.736 95 HD22 LEU 15 HD22 LEU 15 5.849 -9.745 -22.786 96 HD23 LEU 15 HD23 LEU 15 5.689 -8.176 -21.995 97 H THR 16 H THR 16 1.947 -12.538 -23.587 98 HA THR 16 HA THR 16 1.962 -12.119 -26.324 99 HB THR 16 HB THR 16 0.811 -14.465 -24.803 100 HG1 THR 16 HG1 THR 16 2.929 -14.518 -24.389 101 HG21 THR 16 HG21 THR 16 0.730 -13.857 -27.599 102 HG22 THR 16 HG22 THR 16 0.128 -15.285 -26.758 103 HG23 THR 16 HG23 THR 16 1.793 -15.238 -27.335 104 H TYR 17 H TYR 17 -0.879 -13.184 -24.441 105 HA TYR 17 HA TYR 17 -2.737 -12.752 -26.495 106 HB2 TYR 17 HB2 TYR 17 -3.355 -14.169 -24.677 107 HB3 TYR 17 HB3 TYR 17 -3.058 -12.897 -23.497 108 HD1 TYR 17 HD1 TYR 17 -5.252 -13.763 -26.381 109 HD2 TYR 17 HD2 TYR 17 -4.815 -11.545 -22.776 110 HE1 TYR 17 HE1 TYR 17 -7.619 -13.106 -26.504 111 HE2 TYR 17 HE2 TYR 17 -7.181 -10.884 -22.889 112 HH TYR 17 HH TYR 17 -9.083 -11.034 -24.015 113 H LEU 18 H LEU 18 -1.426 -10.619 -24.051 114 HA LEU 18 HA LEU 18 -3.329 -8.529 -24.389 115 HB2 LEU 18 HB2 LEU 18 -0.548 -8.582 -23.241 116 HB3 LEU 18 HB3 LEU 18 -1.559 -7.138 -23.255 117 HG LEU 18 HG LEU 18 -2.099 -9.713 -21.780 118 HD11 LEU 18 HD11 LEU 18 -0.406 -8.310 -20.741 119 HD12 LEU 18 HD12 LEU 18 -1.893 -8.302 -19.793 120 HD13 LEU 18 HD13 LEU 18 -1.491 -6.922 -20.815 121 HD21 LEU 18 HD21 LEU 18 -3.901 -7.656 -22.694 122 HD22 LEU 18 HD22 LEU 18 -3.870 -7.733 -20.932 123 HD23 LEU 18 HD23 LEU 18 -4.253 -9.176 -21.871 124 H THR 19 H THR 19 -0.473 -9.497 -26.083 125 HA THR 19 HA THR 19 -0.305 -6.958 -27.518 126 HB THR 19 HB THR 19 1.700 -7.938 -28.598 127 HG1 THR 19 HG1 THR 19 1.485 -10.089 -26.766 128 HG21 THR 19 HG21 THR 19 2.564 -8.490 -25.941 129 HG22 THR 19 HG22 THR 19 1.383 -7.182 -25.880 130 HG23 THR 19 HG23 THR 19 2.815 -7.031 -26.898 131 H GLY 20 H GLY 20 -2.617 -8.697 -27.868 132 HA2 GLY 20 HA2 GLY 20 -3.971 -9.068 -29.726 133 HA3 GLY 20 HA3 GLY 20 -2.579 -8.788 -30.762 134 H GLY 21 H GLY 21 -1.538 -10.922 -28.511 135 HA2 GLY 21 HA2 GLY 21 -1.561 -13.104 -30.363 136 HA3 GLY 21 HA3 GLY 21 -0.917 -13.133 -28.728 137 HA PRO 22 HA PRO 22 -4.908 -15.621 -29.065 138 HB2 PRO 22 HB2 PRO 22 -3.822 -18.041 -28.488 139 HB3 PRO 22 HB3 PRO 22 -3.954 -17.416 -30.136 140 HG2 PRO 22 HG2 PRO 22 -1.592 -17.425 -28.297 141 HG3 PRO 22 HG3 PRO 22 -1.663 -17.798 -30.030 142 HD2 PRO 22 HD2 PRO 22 -0.815 -15.405 -29.088 143 HD3 PRO 22 HD3 PRO 22 -1.667 -15.574 -30.636 144 H GLY 23 H GLY 23 -6.088 -16.369 -27.300 145 HA2 GLY 23 HA2 GLY 23 -5.556 -17.356 -24.927 146 HA3 GLY 23 HA3 GLY 23 -4.895 -15.744 -24.699 147 HA PRO 24 HA PRO 24 -5.254 -15.069 -22.876 148 HB2 PRO 24 HB2 PRO 24 -6.436 -15.381 -20.452 149 HB3 PRO 24 HB3 PRO 24 -6.446 -13.851 -21.335 150 HG2 PRO 24 HG2 PRO 24 -8.581 -15.940 -21.141 151 HG3 PRO 24 HG3 PRO 24 -8.732 -14.175 -21.059 152 HD2 PRO 24 HD2 PRO 24 -9.297 -15.583 -23.302 153 HD3 PRO 24 HD3 PRO 24 -8.639 -13.935 -23.350 154 H SER 25 H SER 25 -3.880 -16.700 -22.589 155 HA SER 25 HA SER 25 -4.660 -19.410 -22.660 156 HB2 SER 25 HB2 SER 25 -2.159 -19.604 -21.703 157 HB3 SER 25 HB3 SER 25 -2.500 -19.226 -23.392 158 HG SER 25 HG SER 25 -0.977 -17.799 -22.268 159 HA PRO 26 HA PRO 26 -5.418 -20.539 -18.491 160 HB2 PRO 26 HB2 PRO 26 -4.101 -22.899 -18.235 161 HB3 PRO 26 HB3 PRO 26 -5.577 -22.721 -19.191 162 HG2 PRO 26 HG2 PRO 26 -2.726 -22.774 -20.101 163 HG3 PRO 26 HG3 PRO 26 -4.142 -23.568 -20.813 164 HD2 PRO 26 HD2 PRO 26 -3.112 -21.266 -21.799 165 HD3 PRO 26 HD3 PRO 26 -4.845 -21.644 -21.870 166 H GLN 27 H GLN 27 -2.046 -20.532 -19.488 167 HA GLN 27 HA GLN 27 -1.004 -20.596 -16.817 168 HB2 GLN 27 HB2 GLN 27 0.371 -19.787 -19.384 169 HB3 GLN 27 HB3 GLN 27 1.160 -20.184 -17.863 170 HG2 GLN 27 HG2 GLN 27 0.422 -22.468 -18.021 171 HG3 GLN 27 HG3 GLN 27 -0.518 -22.099 -19.466 172 HE21 GLN 27 HE21 GLN 27 0.412 -22.466 -21.349 173 HE22 GLN 27 HE22 GLN 27 2.106 -22.664 -21.624 174 H CYS 28 H CYS 28 -1.980 -18.134 -19.075 175 HA CYS 28 HA CYS 28 -0.657 -15.960 -17.785 176 HB2 CYS 28 HB2 CYS 28 -1.174 -15.403 -19.955 177 HB3 CYS 28 HB3 CYS 28 -2.715 -16.253 -19.920 178 H CYS 29 H CYS 29 -4.033 -17.089 -17.806 179 HA CYS 29 HA CYS 29 -5.162 -15.221 -16.129 180 HB2 CYS 29 HB2 CYS 29 -5.735 -18.147 -16.537 181 HB3 CYS 29 HB3 CYS 29 -6.683 -17.183 -15.410 182 H GLY 30 H GLY 30 -3.149 -17.974 -15.307 183 HA2 GLY 30 HA2 GLY 30 -3.622 -18.177 -12.579 184 HA3 GLY 30 HA3 GLY 30 -2.086 -18.539 -13.352 185 H GLY 31 H GLY 31 -1.392 -16.000 -14.280 186 HA2 GLY 31 HA2 GLY 31 -0.381 -14.853 -11.853 187 HA3 GLY 31 HA3 GLY 31 -0.098 -14.261 -13.483 188 H VAL 32 H VAL 32 -2.740 -13.832 -14.294 189 HA VAL 32 HA VAL 32 -3.226 -11.250 -13.457 190 HB VAL 32 HB VAL 32 -5.274 -13.230 -14.467 191 HG11 VAL 32 HG11 VAL 32 -6.559 -11.289 -15.154 192 HG12 VAL 32 HG12 VAL 32 -6.274 -11.245 -13.413 193 HG13 VAL 32 HG13 VAL 32 -5.330 -10.214 -14.489 194 HG21 VAL 32 HG21 VAL 32 -3.199 -12.825 -15.874 195 HG22 VAL 32 HG22 VAL 32 -4.752 -12.524 -16.655 196 HG23 VAL 32 HG23 VAL 32 -3.781 -11.172 -16.072 197 H LYS 33 H LYS 33 -4.678 -14.251 -12.241 198 HA LYS 33 HA LYS 33 -6.429 -13.028 -10.396 199 HB2 LYS 33 HB2 LYS 33 -5.200 -15.790 -10.328 200 HB3 LYS 33 HB3 LYS 33 -6.571 -15.263 -9.361 201 HG2 LYS 33 HG2 LYS 33 -8.018 -15.351 -11.108 202 HG3 LYS 33 HG3 LYS 33 -6.778 -14.957 -12.301 203 HD2 LYS 33 HD2 LYS 33 -5.929 -17.170 -12.282 204 HD3 LYS 33 HD3 LYS 33 -6.861 -17.589 -10.842 205 HE2 LYS 33 HE2 LYS 33 -8.857 -16.855 -12.485 206 HE3 LYS 33 HE3 LYS 33 -7.693 -17.438 -13.674 207 HZ1 LYS 33 HZ1 LYS 33 -9.337 -19.104 -12.715 208 HZ2 LYS 33 HZ2 LYS 33 -8.409 -19.048 -11.302 209 HZ3 LYS 33 HZ3 LYS 33 -7.708 -19.562 -12.753 210 H LYS 34 H LYS 34 -3.141 -14.304 -10.069 211 HA LYS 34 HA LYS 34 -2.896 -13.907 -7.291 212 HB2 LYS 34 HB2 LYS 34 -1.340 -15.341 -8.427 213 HB3 LYS 34 HB3 LYS 34 -0.824 -14.034 -9.485 214 HG2 LYS 34 HG2 LYS 34 0.448 -13.030 -7.853 215 HG3 LYS 34 HG3 LYS 34 -0.479 -13.754 -6.536 216 HD2 LYS 34 HD2 LYS 34 1.121 -15.481 -8.385 217 HD3 LYS 34 HD3 LYS 34 1.910 -14.633 -7.053 218 HE2 LYS 34 HE2 LYS 34 -0.555 -16.225 -6.516 219 HE3 LYS 34 HE3 LYS 34 0.979 -17.066 -6.737 220 HZ1 LYS 34 HZ1 LYS 34 1.045 -16.703 -4.510 221 HZ2 LYS 34 HZ2 LYS 34 0.130 -15.283 -4.580 222 HZ3 LYS 34 HZ3 LYS 34 1.764 -15.258 -5.017 223 H LEU 35 H LEU 35 -2.228 -11.813 -10.052 224 HA LEU 35 HA LEU 35 -0.989 -9.730 -8.594 225 HB2 LEU 35 HB2 LEU 35 -0.627 -9.756 -10.913 226 HB3 LEU 35 HB3 LEU 35 -2.351 -9.868 -11.264 227 HG LEU 35 HG LEU 35 -2.667 -7.555 -10.618 228 HD11 LEU 35 HD11 LEU 35 -1.282 -6.563 -9.204 229 HD12 LEU 35 HD12 LEU 35 -0.014 -6.603 -10.428 230 HD13 LEU 35 HD13 LEU 35 -0.179 -7.937 -9.286 231 HD21 LEU 35 HD21 LEU 35 -0.785 -6.616 -12.289 232 HD22 LEU 35 HD22 LEU 35 -2.243 -7.447 -12.833 233 HD23 LEU 35 HD23 LEU 35 -0.722 -8.331 -12.697 234 H LEU 36 H LEU 36 -4.316 -10.074 -9.826 235 HA LEU 36 HA LEU 36 -5.287 -7.700 -8.651 236 HB2 LEU 36 HB2 LEU 36 -6.664 -10.204 -9.592 237 HB3 LEU 36 HB3 LEU 36 -7.540 -8.804 -8.976 238 HG LEU 36 HG LEU 36 -5.714 -8.736 -11.375 239 HD11 LEU 36 HD11 LEU 36 -7.640 -8.842 -12.759 240 HD12 LEU 36 HD12 LEU 36 -8.723 -8.782 -11.369 241 HD13 LEU 36 HD13 LEU 36 -7.726 -10.209 -11.649 242 HD21 LEU 36 HD21 LEU 36 -6.664 -6.583 -11.794 243 HD22 LEU 36 HD22 LEU 36 -6.079 -6.605 -10.129 244 HD23 LEU 36 HD23 LEU 36 -7.805 -6.768 -10.461 245 H ALA 37 H ALA 37 -5.103 -11.026 -7.514 246 HA ALA 37 HA ALA 37 -6.706 -10.724 -5.214 247 HB1 ALA 37 HB1 ALA 37 -4.457 -12.653 -5.772 248 HB2 ALA 37 HB2 ALA 37 -5.584 -12.777 -4.420 249 HB3 ALA 37 HB3 ALA 37 -6.175 -12.915 -6.075 250 H ALA 38 H ALA 38 -3.441 -9.817 -5.922 251 HA ALA 38 HA ALA 38 -2.646 -9.533 -3.164 252 HB1 ALA 38 HB1 ALA 38 -0.598 -8.523 -4.111 253 HB2 ALA 38 HB2 ALA 38 -0.963 -10.109 -4.791 254 HB3 ALA 38 HB3 ALA 38 -1.312 -8.650 -5.719 255 H ALA 39 H ALA 39 -3.825 -7.459 -5.745 256 HA ALA 39 HA ALA 39 -3.369 -5.014 -4.315 257 HB1 ALA 39 HB1 ALA 39 -3.424 -5.149 -6.788 258 HB2 ALA 39 HB2 ALA 39 -5.154 -5.484 -6.698 259 HB3 ALA 39 HB3 ALA 39 -4.524 -3.938 -6.130 260 H ASN 40 H ASN 40 -4.455 -5.879 -2.322 261 HA ASN 40 HA ASN 40 -7.379 -5.715 -2.448 262 HB2 ASN 40 HB2 ASN 40 -5.655 -6.566 -0.113 263 HB3 ASN 40 HB3 ASN 40 -7.397 -6.767 -0.274 264 HD21 ASN 40 HD21 ASN 40 -4.926 -8.586 -0.050 265 HD22 ASN 40 HD22 ASN 40 -5.213 -9.786 -1.259 266 H THR 41 H THR 41 -4.680 -3.851 -1.671 267 HA THR 41 HA THR 41 -6.201 -2.139 0.169 268 HB THR 41 HB THR 41 -3.712 -1.025 0.094 269 HG1 THR 41 HG1 THR 41 -3.181 -3.799 0.165 270 HG21 THR 41 HG21 THR 41 -3.450 -2.862 2.111 271 HG22 THR 41 HG22 THR 41 -5.197 -2.808 1.877 272 HG23 THR 41 HG23 THR 41 -4.309 -1.328 2.238 273 H THR 42 H THR 42 -5.785 0.252 -0.095 274 HA THR 42 HA THR 42 -6.619 1.065 -2.677 275 HB THR 42 HB THR 42 -5.851 2.522 -0.177 276 HG1 THR 42 HG1 THR 42 -8.049 3.353 -0.642 277 HG21 THR 42 HG21 THR 42 -4.927 4.092 -1.582 278 HG22 THR 42 HG22 THR 42 -6.615 4.604 -1.602 279 HG23 THR 42 HG23 THR 42 -5.966 3.649 -2.935 280 HA PRO 43 HA PRO 43 -2.169 2.948 -3.027 281 HB2 PRO 43 HB2 PRO 43 -0.313 2.024 -1.273 282 HB3 PRO 43 HB3 PRO 43 -1.323 3.438 -0.947 283 HG2 PRO 43 HG2 PRO 43 -1.653 0.616 -0.004 284 HG3 PRO 43 HG3 PRO 43 -1.850 2.128 0.901 285 HD2 PRO 43 HD2 PRO 43 -3.953 0.731 -0.077 286 HD3 PRO 43 HD3 PRO 43 -3.964 2.501 0.063 287 H ASP 44 H ASP 44 -3.016 -0.299 -2.537 288 HA ASP 44 HA ASP 44 -0.647 -1.399 -3.807 289 HB2 ASP 44 HB2 ASP 44 -3.051 -2.503 -2.452 290 HB3 ASP 44 HB3 ASP 44 -2.294 -3.510 -3.683 291 H ARG 45 H ARG 45 -4.027 -0.769 -4.569 292 HA ARG 45 HA ARG 45 -3.922 -2.036 -7.138 293 HB2 ARG 45 HB2 ARG 45 -5.949 -0.003 -6.211 294 HB3 ARG 45 HB3 ARG 45 -6.149 -1.235 -7.449 295 HG2 ARG 45 HG2 ARG 45 -5.448 -2.560 -5.055 296 HG3 ARG 45 HG3 ARG 45 -6.709 -1.388 -4.667 297 HD2 ARG 45 HD2 ARG 45 -7.735 -2.408 -6.921 298 HD3 ARG 45 HD3 ARG 45 -6.812 -3.805 -6.370 299 HE ARG 45 HE ARG 45 -8.417 -2.673 -4.295 300 HH11 ARG 45 HH11 ARG 45 -8.470 -4.776 -7.069 301 HH12 ARG 45 HH12 ARG 45 -9.834 -5.689 -6.514 302 HH21 ARG 45 HH21 ARG 45 -10.213 -3.868 -3.553 303 HH22 ARG 45 HH22 ARG 45 -10.825 -5.171 -4.514 304 H GLN 46 H GLN 46 -3.748 1.296 -5.959 305 HA GLN 46 HA GLN 46 -3.759 2.616 -8.413 306 HB2 GLN 46 HB2 GLN 46 -2.257 3.398 -5.909 307 HB3 GLN 46 HB3 GLN 46 -2.669 4.470 -7.242 308 HG2 GLN 46 HG2 GLN 46 -4.933 4.461 -6.712 309 HG3 GLN 46 HG3 GLN 46 -4.794 3.002 -5.733 310 HE21 GLN 46 HE21 GLN 46 -5.954 5.558 -5.028 311 HE22 GLN 46 HE22 GLN 46 -5.081 6.131 -3.652 312 H ALA 47 H ALA 47 -0.970 1.516 -6.490 313 HA ALA 47 HA ALA 47 0.998 2.294 -8.346 314 HB1 ALA 47 HB1 ALA 47 1.971 1.899 -6.337 315 HB2 ALA 47 HB2 ALA 47 0.905 0.545 -5.960 316 HB3 ALA 47 HB3 ALA 47 2.257 0.320 -7.070 317 H ALA 48 H ALA 48 -0.583 -0.843 -7.794 318 HA ALA 48 HA ALA 48 0.777 -2.397 -9.618 319 HB1 ALA 48 HB1 ALA 48 -1.134 -3.852 -9.653 320 HB2 ALA 48 HB2 ALA 48 -0.943 -3.207 -8.022 321 HB3 ALA 48 HB3 ALA 48 -2.186 -2.553 -9.088 322 H CYS 49 H CYS 49 -2.245 -0.601 -10.242 323 HA CYS 49 HA CYS 49 -2.339 -1.133 -12.996 324 HB2 CYS 49 HB2 CYS 49 -4.271 -0.314 -11.705 325 HB3 CYS 49 HB3 CYS 49 -3.469 1.239 -11.495 326 H ASN 50 H ASN 50 -1.387 1.901 -11.373 327 HA ASN 50 HA ASN 50 -0.510 3.329 -13.532 328 HB2 ASN 50 HB2 ASN 50 0.730 3.235 -10.773 329 HB3 ASN 50 HB3 ASN 50 1.039 4.490 -11.969 330 HD21 ASN 50 HD21 ASN 50 -0.046 4.830 -9.350 331 HD22 ASN 50 HD22 ASN 50 -1.628 5.500 -9.535 332 H CYS 51 H CYS 51 1.269 0.857 -11.737 333 HA CYS 51 HA CYS 51 3.763 1.154 -12.947 334 HB2 CYS 51 HB2 CYS 51 2.348 -1.047 -11.535 335 HB3 CYS 51 HB3 CYS 51 3.766 -1.484 -12.482 336 H LEU 52 H LEU 52 0.996 -0.846 -13.915 337 HA LEU 52 HA LEU 52 2.305 -1.899 -16.228 338 HB2 LEU 52 HB2 LEU 52 -0.617 -1.816 -15.493 339 HB3 LEU 52 HB3 LEU 52 0.070 -2.747 -16.822 340 HG LEU 52 HG LEU 52 0.478 -3.193 -13.870 341 HD11 LEU 52 HD11 LEU 52 -1.071 -4.519 -16.032 342 HD12 LEU 52 HD12 LEU 52 -1.487 -4.252 -14.339 343 HD13 LEU 52 HD13 LEU 52 -0.349 -5.526 -14.776 344 HD21 LEU 52 HD21 LEU 52 1.923 -5.051 -14.487 345 HD22 LEU 52 HD22 LEU 52 2.588 -3.525 -15.070 346 HD23 LEU 52 HD23 LEU 52 1.776 -4.619 -16.190 347 H LYS 53 H LYS 53 0.244 0.846 -15.560 348 HA LYS 53 HA LYS 53 -0.476 1.489 -18.203 349 HB2 LYS 53 HB2 LYS 53 -0.062 3.425 -15.920 350 HB3 LYS 53 HB3 LYS 53 -1.061 3.671 -17.347 351 HG2 LYS 53 HG2 LYS 53 -1.975 1.305 -16.139 352 HG3 LYS 53 HG3 LYS 53 -1.746 2.479 -14.842 353 HD2 LYS 53 HD2 LYS 53 -3.836 3.106 -15.444 354 HD3 LYS 53 HD3 LYS 53 -2.958 4.046 -16.653 355 HE2 LYS 53 HE2 LYS 53 -4.036 1.266 -17.102 356 HE3 LYS 53 HE3 LYS 53 -4.872 2.745 -17.571 357 HZ1 LYS 53 HZ1 LYS 53 -2.345 1.651 -18.643 358 HZ2 LYS 53 HZ2 LYS 53 -2.767 3.273 -18.862 359 HZ3 LYS 53 HZ3 LYS 53 -3.759 2.051 -19.482 360 H SER 54 H SER 54 2.342 2.309 -16.253 361 HA SER 54 HA SER 54 3.431 4.138 -18.167 362 HB2 SER 54 HB2 SER 54 3.926 4.156 -15.689 363 HB3 SER 54 HB3 SER 54 4.918 2.721 -15.948 364 HG SER 54 HG SER 54 6.174 4.618 -16.028 365 H ALA 55 H ALA 55 4.048 0.760 -17.297 366 HA ALA 55 HA ALA 55 6.179 0.392 -19.143 367 HB1 ALA 55 HB1 ALA 55 5.534 -1.006 -17.059 368 HB2 ALA 55 HB2 ALA 55 4.467 -1.861 -18.174 369 HB3 ALA 55 HB3 ALA 55 6.205 -1.823 -18.471 370 H ALA 56 H ALA 56 2.828 0.653 -19.542 371 HA ALA 56 HA ALA 56 2.634 -1.035 -21.878 372 HB1 ALA 56 HB1 ALA 56 0.374 0.462 -21.932 373 HB2 ALA 56 HB2 ALA 56 0.562 -1.031 -21.012 374 HB3 ALA 56 HB3 ALA 56 0.785 0.528 -20.218 375 H GLY 57 H GLY 57 3.232 2.322 -21.164 376 HA2 GLY 57 HA2 GLY 57 2.597 3.433 -23.675 377 HA3 GLY 57 HA3 GLY 57 3.713 4.121 -22.506 378 H SER 58 H SER 58 5.301 1.547 -22.628 379 HA SER 58 HA SER 58 6.961 2.363 -24.868 380 HB2 SER 58 HB2 SER 58 7.342 0.608 -22.472 381 HB3 SER 58 HB3 SER 58 8.417 0.414 -23.857 382 HG SER 58 HG SER 58 9.437 1.966 -22.813 383 H ILE 59 H ILE 59 4.395 0.358 -24.518 384 HA ILE 59 HA ILE 59 5.409 -1.644 -26.417 385 HB ILE 59 HB ILE 59 2.748 -1.842 -25.051 386 HG12 ILE 59 HG12 ILE 59 5.417 -2.690 -23.905 387 HG13 ILE 59 HG13 ILE 59 4.366 -1.432 -23.264 388 HG21 ILE 59 HG21 ILE 59 4.219 -3.429 -26.857 389 HG22 ILE 59 HG22 ILE 59 4.197 -4.287 -25.318 390 HG23 ILE 59 HG23 ILE 59 2.681 -3.806 -26.080 391 HD11 ILE 59 HD11 ILE 59 2.739 -3.660 -23.377 392 HD12 ILE 59 HD12 ILE 59 4.301 -4.289 -22.850 393 HD13 ILE 59 HD13 ILE 59 3.520 -2.994 -21.942 394 H THR 60 H THR 60 4.954 -1.314 -28.481 395 HA THR 60 HA THR 60 2.784 0.472 -29.236 396 HB THR 60 HB THR 60 5.110 0.551 -30.283 397 HG1 THR 60 HG1 THR 60 2.737 0.354 -31.842 398 HG21 THR 60 HG21 THR 60 5.787 -1.033 -31.822 399 HG22 THR 60 HG22 THR 60 4.146 -1.613 -32.105 400 HG23 THR 60 HG23 THR 60 4.990 -2.043 -30.618 401 H LYS 61 H LYS 61 3.582 -2.915 -29.279 402 HA LYS 61 HA LYS 61 1.382 -3.589 -31.049 403 HB2 LYS 61 HB2 LYS 61 3.321 -5.340 -29.527 404 HB3 LYS 61 HB3 LYS 61 2.118 -5.928 -30.667 405 HG2 LYS 61 HG2 LYS 61 3.241 -4.435 -32.388 406 HG3 LYS 61 HG3 LYS 61 4.557 -4.271 -31.222 407 HD2 LYS 61 HD2 LYS 61 3.584 -7.004 -31.898 408 HD3 LYS 61 HD3 LYS 61 4.589 -6.152 -33.073 409 HE2 LYS 61 HE2 LYS 61 6.111 -7.368 -31.777 410 HE3 LYS 61 HE3 LYS 61 6.190 -5.732 -31.124 411 HZ1 LYS 61 HZ1 LYS 61 4.193 -7.172 -29.767 412 HZ2 LYS 61 HZ2 LYS 61 5.622 -6.511 -29.148 413 HZ3 LYS 61 HZ3 LYS 61 5.616 -8.088 -29.760 414 H LEU 62 H LEU 62 1.358 -2.531 -28.060 415 HA LEU 62 HA LEU 62 -0.014 -4.496 -26.565 416 HB2 LEU 62 HB2 LEU 62 1.048 -2.654 -25.457 417 HB3 LEU 62 HB3 LEU 62 0.053 -1.494 -26.336 418 HG LEU 62 HG LEU 62 -1.939 -2.463 -25.131 419 HD11 LEU 62 HD11 LEU 62 -1.332 -4.527 -24.318 420 HD12 LEU 62 HD12 LEU 62 -1.163 -3.522 -22.879 421 HD13 LEU 62 HD13 LEU 62 0.265 -3.978 -23.808 422 HD21 LEU 62 HD21 LEU 62 -1.737 -0.766 -23.699 423 HD22 LEU 62 HD22 LEU 62 -0.138 -0.507 -24.397 424 HD23 LEU 62 HD23 LEU 62 -0.316 -1.475 -22.933 425 H ASN 63 H ASN 63 -2.043 -5.192 -26.679 426 HA ASN 63 HA ASN 63 -3.939 -3.684 -28.343 427 HB2 ASN 63 HB2 ASN 63 -3.856 -6.603 -27.563 428 HB3 ASN 63 HB3 ASN 63 -5.199 -5.862 -28.428 429 HD21 ASN 63 HD21 ASN 63 -5.129 -5.942 -30.551 430 HD22 ASN 63 HD22 ASN 63 -3.717 -6.201 -31.513 431 H THR 64 H THR 64 -4.818 -2.256 -26.896 432 HA THR 64 HA THR 64 -5.480 -2.676 -24.249 433 HB THR 64 HB THR 64 -6.997 -0.806 -24.410 434 HG1 THR 64 HG1 THR 64 -7.432 0.033 -26.595 435 HG21 THR 64 HG21 THR 64 -4.892 -0.150 -26.439 436 HG22 THR 64 HG22 THR 64 -4.440 -0.545 -24.781 437 HG23 THR 64 HG23 THR 64 -5.498 0.829 -25.104 438 H ASN 65 H ASN 65 -7.097 -3.791 -27.107 439 HA ASN 65 HA ASN 65 -9.648 -4.287 -26.020 440 HB2 ASN 65 HB2 ASN 65 -8.133 -5.203 -28.411 441 HB3 ASN 65 HB3 ASN 65 -9.523 -6.167 -27.923 442 HD21 ASN 65 HD21 ASN 65 -9.307 -4.735 -30.336 443 HD22 ASN 65 HD22 ASN 65 -10.523 -3.506 -30.338 444 H ASN 66 H ASN 66 -6.750 -6.312 -26.274 445 HA ASN 66 HA ASN 66 -7.985 -8.584 -25.044 446 HB2 ASN 66 HB2 ASN 66 -5.032 -8.022 -25.379 447 HB3 ASN 66 HB3 ASN 66 -5.787 -9.590 -25.110 448 HD21 ASN 66 HD21 ASN 66 -5.942 -10.788 -26.848 449 HD22 ASN 66 HD22 ASN 66 -6.115 -10.220 -28.471 450 H ALA 67 H ALA 67 -6.391 -5.743 -23.918 451 HA ALA 67 HA ALA 67 -5.619 -6.748 -21.356 452 HB1 ALA 67 HB1 ALA 67 -4.640 -4.753 -21.079 453 HB2 ALA 67 HB2 ALA 67 -5.013 -4.507 -22.785 454 HB3 ALA 67 HB3 ALA 67 -6.091 -3.866 -21.546 455 H ALA 68 H ALA 68 -8.470 -5.162 -22.658 456 HA ALA 68 HA ALA 68 -9.696 -4.707 -20.108 457 HB1 ALA 68 HB1 ALA 68 -11.770 -4.543 -21.798 458 HB2 ALA 68 HB2 ALA 68 -10.608 -3.237 -21.563 459 HB3 ALA 68 HB3 ALA 68 -10.443 -4.327 -22.939 460 H ALA 69 H ALA 69 -9.991 -7.157 -22.644 461 HA ALA 69 HA ALA 69 -12.023 -8.602 -21.163 462 HB1 ALA 69 HB1 ALA 69 -10.646 -9.118 -23.788 463 HB2 ALA 69 HB2 ALA 69 -11.802 -10.238 -23.068 464 HB3 ALA 69 HB3 ALA 69 -12.312 -8.610 -23.514 465 H LEU 70 H LEU 70 -8.705 -8.381 -21.039 466 HA LEU 70 HA LEU 70 -7.821 -11.008 -20.767 467 HB2 LEU 70 HB2 LEU 70 -6.073 -9.556 -20.820 468 HB3 LEU 70 HB3 LEU 70 -6.898 -8.356 -19.828 469 HG LEU 70 HG LEU 70 -6.419 -9.707 -17.828 470 HD11 LEU 70 HD11 LEU 70 -5.964 -11.864 -18.080 471 HD12 LEU 70 HD12 LEU 70 -4.377 -11.397 -18.690 472 HD13 LEU 70 HD13 LEU 70 -5.708 -11.668 -19.814 473 HD21 LEU 70 HD21 LEU 70 -4.279 -8.918 -17.573 474 HD22 LEU 70 HD22 LEU 70 -4.823 -7.956 -18.947 475 HD23 LEU 70 HD23 LEU 70 -3.799 -9.369 -19.209 476 HA PRO 71 HA PRO 71 -8.699 -10.694 -16.027 477 HB2 PRO 71 HB2 PRO 71 -10.158 -8.573 -15.166 478 HB3 PRO 71 HB3 PRO 71 -8.394 -8.542 -15.284 479 HG2 PRO 71 HG2 PRO 71 -10.439 -7.457 -17.182 480 HG3 PRO 71 HG3 PRO 71 -8.923 -6.721 -16.631 481 HD2 PRO 71 HD2 PRO 71 -9.158 -7.947 -19.034 482 HD3 PRO 71 HD3 PRO 71 -7.645 -7.948 -18.106 483 H GLY 72 H GLY 72 -11.117 -9.598 -18.316 484 HA2 GLY 72 HA2 GLY 72 -13.370 -10.554 -16.825 485 HA3 GLY 72 HA3 GLY 72 -13.372 -10.050 -18.509 486 H LYS 73 H LYS 73 -11.541 -11.798 -19.604 487 HA LYS 73 HA LYS 73 -13.127 -14.133 -19.913 488 HB2 LYS 73 HB2 LYS 73 -10.476 -13.214 -20.949 489 HB3 LYS 73 HB3 LYS 73 -10.930 -14.902 -21.144 490 HG2 LYS 73 HG2 LYS 73 -12.869 -14.301 -22.413 491 HG3 LYS 73 HG3 LYS 73 -12.607 -12.586 -22.083 492 HD2 LYS 73 HD2 LYS 73 -10.380 -12.831 -23.255 493 HD3 LYS 73 HD3 LYS 73 -10.927 -14.427 -23.774 494 HE2 LYS 73 HE2 LYS 73 -13.053 -12.898 -24.475 495 HE3 LYS 73 HE3 LYS 73 -11.732 -11.752 -24.696 496 HZ1 LYS 73 HZ1 LYS 73 -12.289 -13.102 -26.693 497 HZ2 LYS 73 HZ2 LYS 73 -11.749 -14.476 -25.869 498 HZ3 LYS 73 HZ3 LYS 73 -10.672 -13.218 -26.212 499 H CYS 74 H CYS 74 -10.696 -13.254 -17.693 500 HA CYS 74 HA CYS 74 -9.994 -16.017 -17.067 501 HB2 CYS 74 HB2 CYS 74 -8.969 -13.348 -16.113 502 HB3 CYS 74 HB3 CYS 74 -8.514 -14.855 -15.325 503 H GLY 75 H GLY 75 -12.679 -14.654 -16.559 504 HA2 GLY 75 HA2 GLY 75 -14.285 -14.607 -14.916 505 HA3 GLY 75 HA3 GLY 75 -13.449 -16.021 -14.292 506 H VAL 76 H VAL 76 -13.086 -12.475 -14.361 507 HA VAL 76 HA VAL 76 -12.317 -12.611 -11.519 508 HB VAL 76 HB VAL 76 -11.276 -10.563 -13.474 509 HG11 VAL 76 HG11 VAL 76 -11.218 -10.822 -10.621 510 HG12 VAL 76 HG12 VAL 76 -9.576 -10.901 -11.262 511 HG13 VAL 76 HG13 VAL 76 -10.604 -9.516 -11.635 512 HG21 VAL 76 HG21 VAL 76 -9.179 -11.784 -13.491 513 HG22 VAL 76 HG22 VAL 76 -9.865 -13.023 -12.440 514 HG23 VAL 76 HG23 VAL 76 -10.483 -12.815 -14.078 515 H ASN 77 H ASN 77 -13.064 -10.972 -10.171 516 HA ASN 77 HA ASN 77 -15.476 -9.660 -11.101 517 HB2 ASN 77 HB2 ASN 77 -14.286 -9.453 -8.338 518 HB3 ASN 77 HB3 ASN 77 -15.968 -9.249 -8.818 519 HD21 ASN 77 HD21 ASN 77 -13.784 -11.312 -7.452 520 HD22 ASN 77 HD22 ASN 77 -14.644 -12.798 -7.642 521 H ILE 78 H ILE 78 -14.990 -7.920 -12.342 522 HA ILE 78 HA ILE 78 -13.714 -5.671 -10.994 523 HB ILE 78 HB ILE 78 -12.856 -6.496 -13.768 524 HG12 ILE 78 HG12 ILE 78 -11.341 -6.722 -11.158 525 HG13 ILE 78 HG13 ILE 78 -12.023 -8.072 -12.058 526 HG21 ILE 78 HG21 ILE 78 -12.638 -4.066 -12.273 527 HG22 ILE 78 HG22 ILE 78 -11.031 -4.731 -12.561 528 HG23 ILE 78 HG23 ILE 78 -12.109 -4.412 -13.919 529 HD11 ILE 78 HD11 ILE 78 -10.427 -6.694 -13.883 530 HD12 ILE 78 HD12 ILE 78 -9.502 -6.751 -12.383 531 HD13 ILE 78 HD13 ILE 78 -10.090 -8.244 -13.112 532 HA PRO 79 HA PRO 79 -17.530 -4.445 -13.256 533 HB2 PRO 79 HB2 PRO 79 -18.363 -2.716 -11.335 534 HB3 PRO 79 HB3 PRO 79 -18.710 -4.449 -11.284 535 HG2 PRO 79 HG2 PRO 79 -16.583 -2.899 -9.857 536 HG3 PRO 79 HG3 PRO 79 -17.630 -4.191 -9.241 537 HD2 PRO 79 HD2 PRO 79 -15.065 -4.628 -9.988 538 HD3 PRO 79 HD3 PRO 79 -16.334 -5.856 -10.166 539 H TYR 80 H TYR 80 -14.670 -2.947 -12.265 540 HA TYR 80 HA TYR 80 -15.301 -0.256 -13.004 541 HB2 TYR 80 HB2 TYR 80 -12.811 -1.743 -12.282 542 HB3 TYR 80 HB3 TYR 80 -12.661 -0.183 -13.082 543 HD1 TYR 80 HD1 TYR 80 -12.900 1.815 -11.868 544 HD2 TYR 80 HD2 TYR 80 -14.124 -1.861 -10.111 545 HE1 TYR 80 HE1 TYR 80 -13.206 2.956 -9.711 546 HE2 TYR 80 HE2 TYR 80 -14.434 -0.731 -7.949 547 HH TYR 80 HH TYR 80 -13.472 1.383 -6.823 548 H LYS 81 H LYS 81 -15.374 0.604 -14.967 549 HA LYS 81 HA LYS 81 -15.025 -0.941 -17.305 550 HB2 LYS 81 HB2 LYS 81 -15.357 2.021 -16.851 551 HB3 LYS 81 HB3 LYS 81 -15.214 1.326 -18.460 552 HG2 LYS 81 HG2 LYS 81 -17.292 0.370 -16.524 553 HG3 LYS 81 HG3 LYS 81 -17.556 1.783 -17.549 554 HD2 LYS 81 HD2 LYS 81 -16.542 -0.635 -18.906 555 HD3 LYS 81 HD3 LYS 81 -18.189 -0.731 -18.279 556 HE2 LYS 81 HE2 LYS 81 -18.645 0.148 -20.326 557 HE3 LYS 81 HE3 LYS 81 -18.359 1.648 -19.446 558 HZ1 LYS 81 HZ1 LYS 81 -16.625 2.101 -20.727 559 HZ2 LYS 81 HZ2 LYS 81 -17.057 0.794 -21.710 560 HZ3 LYS 81 HZ3 LYS 81 -15.931 0.580 -20.465 561 H ILE 82 H ILE 82 -13.120 -1.643 -18.010 562 HA ILE 82 HA ILE 82 -10.621 -0.617 -17.332 563 HB ILE 82 HB ILE 82 -11.537 -2.369 -19.590 564 HG12 ILE 82 HG12 ILE 82 -11.350 -3.178 -17.193 565 HG13 ILE 82 HG13 ILE 82 -10.439 -4.102 -18.383 566 HG21 ILE 82 HG21 ILE 82 -8.937 -2.723 -19.820 567 HG22 ILE 82 HG22 ILE 82 -9.769 -1.454 -20.716 568 HG23 ILE 82 HG23 ILE 82 -8.889 -1.059 -19.240 569 HD11 ILE 82 HD11 ILE 82 -8.394 -3.178 -17.676 570 HD12 ILE 82 HD12 ILE 82 -9.200 -1.925 -16.733 571 HD13 ILE 82 HD13 ILE 82 -9.272 -3.607 -16.208 572 H SER 83 H SER 83 -9.552 1.138 -17.945 573 HA SER 83 HA SER 83 -9.774 2.172 -20.635 574 HB2 SER 83 HB2 SER 83 -10.142 4.460 -18.975 575 HB3 SER 83 HB3 SER 83 -11.217 3.833 -20.224 576 HG SER 83 HG SER 83 -12.461 3.654 -18.493 577 H THR 84 H THR 84 -7.720 2.440 -21.174 578 HA THR 84 HA THR 84 -5.583 2.652 -19.375 579 HB THR 84 HB THR 84 -4.234 3.358 -21.366 580 HG1 THR 84 HG1 THR 84 -5.221 3.726 -23.269 581 HG21 THR 84 HG21 THR 84 -5.578 0.897 -20.887 582 HG22 THR 84 HG22 THR 84 -4.022 1.163 -21.675 583 HG23 THR 84 HG23 THR 84 -5.504 1.153 -22.630 584 H THR 85 H THR 85 -7.789 5.005 -20.481 585 HA THR 85 HA THR 85 -6.014 7.251 -19.960 586 HB THR 85 HB THR 85 -7.833 8.673 -20.681 587 HG1 THR 85 HG1 THR 85 -9.461 6.385 -21.066 588 HG21 THR 85 HG21 THR 85 -6.484 7.012 -22.304 589 HG22 THR 85 HG22 THR 85 -7.671 8.177 -22.891 590 HG23 THR 85 HG23 THR 85 -8.131 6.491 -22.657 591 H THR 86 H THR 86 -7.998 5.242 -18.174 592 HA THR 86 HA THR 86 -9.108 7.136 -16.348 593 HB THR 86 HB THR 86 -8.689 4.154 -16.084 594 HG1 THR 86 HG1 THR 86 -11.074 5.644 -16.545 595 HG21 THR 86 HG21 THR 86 -8.826 4.954 -13.865 596 HG22 THR 86 HG22 THR 86 -10.456 4.414 -14.269 597 HG23 THR 86 HG23 THR 86 -10.068 6.134 -14.285 598 H ASN 87 H ASN 87 -8.413 7.735 -14.319 599 HA ASN 87 HA ASN 87 -5.556 7.478 -13.857 600 HB2 ASN 87 HB2 ASN 87 -7.041 9.629 -13.623 601 HB3 ASN 87 HB3 ASN 87 -7.400 8.974 -12.029 602 HD21 ASN 87 HD21 ASN 87 -6.214 11.344 -12.099 603 HD22 ASN 87 HD22 ASN 87 -4.552 11.232 -11.641 604 H CYS 88 H CYS 88 -5.135 5.469 -13.061 605 HA CYS 88 HA CYS 88 -6.746 4.175 -11.104 606 HB2 CYS 88 HB2 CYS 88 -3.887 3.619 -11.924 607 HB3 CYS 88 HB3 CYS 88 -4.912 2.539 -10.985 608 H ASN 89 H ASN 89 -4.711 6.777 -10.858 609 HA ASN 89 HA ASN 89 -3.602 6.152 -8.258 610 HB2 ASN 89 HB2 ASN 89 -2.083 7.559 -9.162 611 HB3 ASN 89 HB3 ASN 89 -3.255 8.255 -10.278 612 HD21 ASN 89 HD21 ASN 89 -4.570 9.974 -9.567 613 HD22 ASN 89 HD22 ASN 89 -4.099 10.962 -8.230 614 H THR 90 H THR 90 -6.472 7.498 -9.506 615 HA THR 90 HA THR 90 -7.097 8.821 -6.959 616 HB THR 90 HB THR 90 -8.882 9.967 -8.087 617 HG1 THR 90 HG1 THR 90 -8.317 8.134 -10.170 618 HG21 THR 90 HG21 THR 90 -6.573 10.008 -10.020 619 HG22 THR 90 HG22 THR 90 -6.485 10.738 -8.417 620 HG23 THR 90 HG23 THR 90 -7.660 11.327 -9.591 621 H VAL 91 H VAL 91 -7.124 5.873 -7.533 622 HA VAL 91 HA VAL 91 -9.962 5.232 -7.288 623 HB VAL 91 HB VAL 91 -9.363 2.941 -7.577 624 HG11 VAL 91 HG11 VAL 91 -8.080 3.016 -9.708 625 HG12 VAL 91 HG12 VAL 91 -9.404 4.181 -9.632 626 HG13 VAL 91 HG13 VAL 91 -7.740 4.717 -9.393 627 HG21 VAL 91 HG21 VAL 91 -7.505 2.180 -6.619 628 HG22 VAL 91 HG22 VAL 91 -6.600 2.872 -7.965 629 HG23 VAL 91 HG23 VAL 91 -6.837 3.807 -6.490 630 H LYS 92 H LYS 92 -10.526 3.516 -5.634 631 HA LYS 92 HA LYS 92 -8.968 3.689 -3.172 632 HB2 LYS 92 HB2 LYS 92 -10.395 5.477 -2.709 633 HB3 LYS 92 HB3 LYS 92 -11.758 4.730 -3.532 634 HG2 LYS 92 HG2 LYS 92 -12.116 3.212 -1.744 635 HG3 LYS 92 HG3 LYS 92 -10.591 3.659 -0.976 636 HD2 LYS 92 HD2 LYS 92 -12.517 5.850 -1.461 637 HD3 LYS 92 HD3 LYS 92 -12.967 4.665 -0.232 638 HE2 LYS 92 HE2 LYS 92 -11.792 6.153 1.049 639 HE3 LYS 92 HE3 LYS 92 -10.494 5.057 0.576 640 HZ1 LYS 92 HZ1 LYS 92 -9.525 6.615 -0.697 641 HZ2 LYS 92 HZ2 LYS 92 -10.374 7.699 0.286 642 HZ3 LYS 92 HZ3 LYS 92 -10.990 7.272 -1.231 643 H PHE 93 H PHE 93 -8.921 1.803 -2.118 644 HA PHE 93 HA PHE 93 -9.890 -0.553 -3.179 645 HB2 PHE 93 HB2 PHE 93 -9.097 -1.618 -1.263 646 HB3 PHE 93 HB3 PHE 93 -8.145 -0.137 -1.296 647 HD1 PHE 93 HD1 PHE 93 -9.506 -2.228 0.907 648 HD2 PHE 93 HD2 PHE 93 -9.813 1.877 -0.174 649 HE1 PHE 93 HE1 PHE 93 -10.274 -1.690 3.182 650 HE2 PHE 93 HE2 PHE 93 -10.581 2.422 2.099 651 HZ PHE 93 HZ PHE 93 -10.812 0.638 3.781 652 HC11 PGM 101 H11 PPG 103 8.511 -2.436 -17.097 653 HC12 PGM 101 H12 PPG 103 7.705 -2.066 -15.719 654 HO1 PGM 101 H1 PPG 103 9.835 -0.652 -16.868 655 HC2 PGM 101 H2A PPG 103 10.541 -2.724 -15.518 656 HO2 PGM 101 H2 PPG 103 9.044 -1.778 -13.821 657 HC31 PGM 101 H31 PPG 103 8.204 -4.499 -15.621 658 HC32 PGM 101 H32 PPG 103 9.619 -4.996 -14.959 659 HC71 PGM 101 H91 PPG 103 8.382 -5.826 -19.817 660 HC72 PGM 101 H92 PPG 103 8.380 -4.534 -18.830 661 HC8 PGM 101 H10A PPG 103 6.728 -4.253 -20.516 662 HO8 PGM 101 H10 PPG 103 4.787 -4.302 -18.940 663 HC91 PGM 101 H111 PPG 103 5.801 -6.797 -19.405 664 HC92 PGM 101 H112 PPG 103 6.053 -6.487 -20.983 665 HCB1 PGM 101 H151 PPG 103 1.443 -6.950 -19.232 666 HCB2 PGM 101 H152 PPG 103 1.724 -6.249 -20.678 667 HCC1 PGM 101 H161 PPG 103 2.218 -4.181 -19.237 668 HCC2 PGM 101 H162 PPG 103 1.273 -4.955 -18.156 669 HCD1 PGM 101 H171 PPG 103 -0.163 -5.296 -20.300 670 HCD2 PGM 101 H172 PPG 103 0.533 -3.873 -20.666 671 HCE1 PGM 101 H181 PPG 103 -0.603 -2.767 -19.103 672 HCE2 PGM 101 H182 PPG 103 -0.683 -4.058 -18.115 673 HCF1 PGM 101 H191 PPG 103 -2.609 -4.686 -18.885 674 HCF2 PGM 101 H192 PPG 103 -2.211 -4.319 -20.422 675 HCG1 PGM 101 H201 PPG 103 -4.009 -3.001 -19.950 676 HCG2 PGM 101 H202 PPG 103 -2.725 -2.004 -19.893 677 HCH1 PGM 101 H211 PPG 103 -4.065 -1.483 -18.046 678 HCH2 PGM 101 H212 PPG 103 -2.749 -2.255 -17.458 679 HCI1 PGM 101 H221 PPG 103 -3.902 -4.116 -16.968 680 HCI2 PGM 101 H222 PPG 103 -4.860 -3.968 -18.287 681 HCJ1 PGM 101 H231 PPG 103 -6.366 -3.556 -16.698 682 HCJ2 PGM 101 H232 PPG 103 -5.841 -2.030 -16.968 683 HCK1 PGM 101 H241 PPG 103 -4.833 -1.889 -14.988 684 HCK2 PGM 101 H242 PPG 103 -4.455 -3.477 -14.955 685 HCL1 PGM 101 H251 PPG 103 -6.528 -4.073 -14.153 686 HCL2 PGM 101 H252 PPG 103 -7.226 -2.691 -14.680 687 HCM1 PGM 101 H261 PPG 103 -6.786 -1.804 -12.655 688 HCM2 PGM 101 H262 PPG 103 -5.201 -1.885 -13.024 689 HCN1 PGM 101 H271 PPG 103 -6.522 -4.293 -12.193 690 HCN2 PGM 101 H272 PPG 103 -6.046 -3.253 -11.034 691 HCO1 PGM 101 H281 PPG 103 -3.912 -3.679 -11.359 692 HCO2 PGM 101 H282 PPG 103 -4.082 -3.692 -12.988 693 HCP1 PGM 101 H291 PPG 103 -3.176 -5.726 -12.250 694 HCP2 PGM 101 H292 PPG 103 -4.475 -5.967 -11.289 695 HCP3 PGM 101 H293 PPG 103 -4.653 -5.982 -12.908 Start of MODEL 5 1 H ALA 1 H ALA 1 3.509 0.056 0.360 2 HA ALA 1 HA ALA 1 2.398 0.256 -2.363 3 HB1 ALA 1 HB1 ALA 1 4.218 1.512 -3.047 4 HB2 ALA 1 HB2 ALA 1 3.930 2.115 -1.414 5 HB3 ALA 1 HB3 ALA 1 5.230 0.961 -1.711 6 H ILE 2 H ILE 2 2.599 -1.491 -3.589 7 HA ILE 2 HA ILE 2 4.171 -3.736 -2.711 8 HB ILE 2 HB ILE 2 3.246 -4.935 -4.579 9 HG12 ILE 2 HG12 ILE 2 2.189 -2.260 -5.523 10 HG13 ILE 2 HG13 ILE 2 3.479 -3.185 -6.284 11 HG21 ILE 2 HG21 ILE 2 1.816 -4.121 -2.521 12 HG22 ILE 2 HG22 ILE 2 0.916 -3.271 -3.776 13 HG23 ILE 2 HG23 ILE 2 1.082 -5.025 -3.845 14 HD11 ILE 2 HD11 ILE 2 0.625 -4.095 -6.006 15 HD12 ILE 2 HD12 ILE 2 1.346 -3.404 -7.460 16 HD13 ILE 2 HD13 ILE 2 1.923 -4.950 -6.839 17 H SER 3 H SER 3 5.165 -4.913 -4.902 18 HA SER 3 HA SER 3 7.377 -3.138 -5.615 19 HB2 SER 3 HB2 SER 3 7.264 -6.067 -6.282 20 HB3 SER 3 HB3 SER 3 8.675 -5.051 -5.986 21 HG SER 3 HG SER 3 8.415 -5.270 -3.878 22 H CYS 4 H CYS 4 7.174 -2.042 -7.444 23 HA CYS 4 HA CYS 4 5.324 -2.457 -9.454 24 HB2 CYS 4 HB2 CYS 4 6.910 -0.448 -9.005 25 HB3 CYS 4 HB3 CYS 4 8.029 -1.300 -10.065 26 H GLY 5 H GLY 5 8.503 -3.876 -9.035 27 HA2 GLY 5 HA2 GLY 5 8.833 -4.931 -11.626 28 HA3 GLY 5 HA3 GLY 5 9.598 -5.545 -10.168 29 H ALA 6 H ALA 6 6.949 -6.027 -8.906 30 HA ALA 6 HA ALA 6 6.534 -8.664 -10.035 31 HB1 ALA 6 HB1 ALA 6 5.048 -7.491 -7.704 32 HB2 ALA 6 HB2 ALA 6 5.365 -9.188 -8.067 33 HB3 ALA 6 HB3 ALA 6 6.682 -8.136 -7.549 34 H VAL 7 H VAL 7 5.056 -5.568 -10.164 35 HA VAL 7 HA VAL 7 2.395 -6.378 -10.740 36 HB VAL 7 HB VAL 7 3.766 -3.808 -11.539 37 HG11 VAL 7 HG11 VAL 7 1.807 -3.095 -12.330 38 HG12 VAL 7 HG12 VAL 7 1.281 -4.778 -12.269 39 HG13 VAL 7 HG13 VAL 7 0.934 -3.696 -10.920 40 HG21 VAL 7 HG21 VAL 7 2.088 -4.294 -9.088 41 HG22 VAL 7 HG22 VAL 7 3.850 -4.378 -9.084 42 HG23 VAL 7 HG23 VAL 7 3.040 -2.863 -9.486 43 H THR 8 H THR 8 5.072 -5.300 -12.827 44 HA THR 8 HA THR 8 3.634 -5.851 -15.242 45 HB THR 8 HB THR 8 5.730 -5.359 -16.399 46 HG1 THR 8 HG1 THR 8 7.529 -4.706 -14.916 47 HG21 THR 8 HG21 THR 8 4.355 -3.604 -14.638 48 HG22 THR 8 HG22 THR 8 5.217 -3.210 -16.126 49 HG23 THR 8 HG23 THR 8 6.069 -3.194 -14.582 50 H SER 9 H SER 9 6.051 -7.534 -13.311 51 HA SER 9 HA SER 9 6.721 -9.558 -15.120 52 HB2 SER 9 HB2 SER 9 6.831 -9.263 -12.152 53 HB3 SER 9 HB3 SER 9 7.054 -10.875 -12.834 54 HG SER 9 HG SER 9 8.997 -9.517 -12.549 55 H ASP 10 H ASP 10 4.117 -9.371 -12.731 56 HA ASP 10 HA ASP 10 3.136 -11.973 -12.985 57 HB2 ASP 10 HB2 ASP 10 1.799 -9.373 -12.250 58 HB3 ASP 10 HB3 ASP 10 0.925 -10.903 -12.258 59 H LEU 11 H LEU 11 2.967 -9.302 -15.141 60 HA LEU 11 HA LEU 11 0.881 -10.626 -16.733 61 HB2 LEU 11 HB2 LEU 11 1.920 -7.809 -16.672 62 HB3 LEU 11 HB3 LEU 11 0.941 -8.412 -18.008 63 HG LEU 11 HG LEU 11 0.112 -8.087 -15.129 64 HD11 LEU 11 HD11 LEU 11 -0.827 -6.816 -17.696 65 HD12 LEU 11 HD12 LEU 11 0.080 -6.034 -16.402 66 HD13 LEU 11 HD13 LEU 11 -1.571 -6.583 -16.114 67 HD21 LEU 11 HD21 LEU 11 -2.160 -8.778 -16.325 68 HD22 LEU 11 HD22 LEU 11 -1.086 -9.964 -15.582 69 HD23 LEU 11 HD23 LEU 11 -1.043 -9.706 -17.327 70 H SER 12 H SER 12 3.915 -11.131 -16.500 71 HA SER 12 HA SER 12 5.215 -10.440 -18.852 72 HB2 SER 12 HB2 SER 12 6.718 -11.428 -17.456 73 HB3 SER 12 HB3 SER 12 5.529 -12.557 -16.807 74 HG SER 12 HG SER 12 6.636 -12.766 -19.408 75 HA PRO 13 HA PRO 13 3.640 -14.544 -20.854 76 HB2 PRO 13 HB2 PRO 13 1.702 -15.913 -19.534 77 HB3 PRO 13 HB3 PRO 13 3.427 -16.192 -19.267 78 HG2 PRO 13 HG2 PRO 13 1.500 -14.570 -17.651 79 HG3 PRO 13 HG3 PRO 13 2.758 -15.690 -17.098 80 HD2 PRO 13 HD2 PRO 13 3.096 -13.003 -17.095 81 HD3 PRO 13 HD3 PRO 13 4.438 -14.134 -17.366 82 H CYS 14 H CYS 14 1.631 -12.238 -19.297 83 HA CYS 14 HA CYS 14 -0.658 -12.719 -21.018 84 HB2 CYS 14 HB2 CYS 14 -0.160 -10.536 -18.981 85 HB3 CYS 14 HB3 CYS 14 -1.686 -10.842 -19.804 86 H LEU 15 H LEU 15 2.094 -10.600 -20.817 87 HA LEU 15 HA LEU 15 1.401 -8.415 -22.285 88 HB2 LEU 15 HB2 LEU 15 3.682 -9.159 -21.306 89 HB3 LEU 15 HB3 LEU 15 3.955 -9.850 -22.904 90 HG LEU 15 HG LEU 15 3.752 -7.644 -23.912 91 HD11 LEU 15 HD11 LEU 15 2.380 -6.266 -22.772 92 HD12 LEU 15 HD12 LEU 15 3.882 -5.764 -21.998 93 HD13 LEU 15 HD13 LEU 15 2.830 -6.935 -21.203 94 HD21 LEU 15 HD21 LEU 15 5.963 -8.213 -23.351 95 HD22 LEU 15 HD22 LEU 15 5.688 -7.936 -21.632 96 HD23 LEU 15 HD23 LEU 15 5.741 -6.571 -22.748 97 H THR 16 H THR 16 2.192 -11.628 -23.531 98 HA THR 16 HA THR 16 2.264 -11.097 -26.246 99 HB THR 16 HB THR 16 1.182 -13.560 -24.865 100 HG1 THR 16 HG1 THR 16 3.228 -13.921 -24.513 101 HG21 THR 16 HG21 THR 16 0.630 -14.337 -26.878 102 HG22 THR 16 HG22 THR 16 2.309 -14.164 -27.387 103 HG23 THR 16 HG23 THR 16 1.173 -12.838 -27.630 104 H TYR 17 H TYR 17 -0.575 -12.390 -24.507 105 HA TYR 17 HA TYR 17 -2.382 -11.938 -26.611 106 HB2 TYR 17 HB2 TYR 17 -2.985 -13.508 -24.921 107 HB3 TYR 17 HB3 TYR 17 -2.792 -12.312 -23.644 108 HD1 TYR 17 HD1 TYR 17 -4.731 -11.467 -22.738 109 HD2 TYR 17 HD2 TYR 17 -4.758 -12.719 -26.804 110 HE1 TYR 17 HE1 TYR 17 -7.125 -10.920 -22.884 111 HE2 TYR 17 HE2 TYR 17 -7.151 -12.175 -26.962 112 HH TYR 17 HH TYR 17 -8.959 -11.003 -24.143 113 H LEU 18 H LEU 18 -1.316 -9.918 -23.952 114 HA LEU 18 HA LEU 18 -3.314 -7.917 -24.236 115 HB2 LEU 18 HB2 LEU 18 -0.576 -7.877 -22.986 116 HB3 LEU 18 HB3 LEU 18 -1.691 -6.513 -22.928 117 HG LEU 18 HG LEU 18 -2.076 -9.227 -21.670 118 HD11 LEU 18 HD11 LEU 18 -0.555 -7.832 -20.430 119 HD12 LEU 18 HD12 LEU 18 -2.099 -7.905 -19.582 120 HD13 LEU 18 HD13 LEU 18 -1.674 -6.471 -20.516 121 HD21 LEU 18 HD21 LEU 18 -4.263 -8.855 -21.824 122 HD22 LEU 18 HD22 LEU 18 -4.007 -7.245 -22.497 123 HD23 LEU 18 HD23 LEU 18 -4.034 -7.476 -20.748 124 H THR 19 H THR 19 -0.452 -8.666 -25.971 125 HA THR 19 HA THR 19 -0.353 -6.004 -27.195 126 HB THR 19 HB THR 19 1.744 -6.823 -28.276 127 HG1 THR 19 HG1 THR 19 2.099 -8.899 -28.207 128 HG21 THR 19 HG21 THR 19 1.295 -6.164 -25.542 129 HG22 THR 19 HG22 THR 19 2.723 -5.852 -26.528 130 HG23 THR 19 HG23 THR 19 2.590 -7.357 -25.621 131 H GLY 20 H GLY 20 -2.470 -8.037 -27.708 132 HA2 GLY 20 HA2 GLY 20 -3.750 -8.316 -29.651 133 HA3 GLY 20 HA3 GLY 20 -2.343 -7.888 -30.613 134 H GLY 21 H GLY 21 -1.046 -10.005 -28.600 135 HA2 GLY 21 HA2 GLY 21 -0.944 -12.097 -30.514 136 HA3 GLY 21 HA3 GLY 21 -0.320 -12.168 -28.872 137 HA PRO 22 HA PRO 22 -4.084 -14.949 -29.401 138 HB2 PRO 22 HB2 PRO 22 -2.814 -17.291 -28.882 139 HB3 PRO 22 HB3 PRO 22 -2.955 -16.615 -30.509 140 HG2 PRO 22 HG2 PRO 22 -0.649 -16.500 -28.604 141 HG3 PRO 22 HG3 PRO 22 -0.643 -16.809 -30.350 142 HD2 PRO 22 HD2 PRO 22 -0.025 -14.392 -29.296 143 HD3 PRO 22 HD3 PRO 22 -0.819 -14.571 -30.874 144 H GLY 23 H GLY 23 -5.253 -15.825 -27.698 145 HA2 GLY 23 HA2 GLY 23 -4.731 -16.876 -25.355 146 HA3 GLY 23 HA3 GLY 23 -4.159 -15.243 -25.042 147 HA PRO 24 HA PRO 24 -4.596 -14.671 -23.200 148 HB2 PRO 24 HB2 PRO 24 -5.819 -15.151 -20.824 149 HB3 PRO 24 HB3 PRO 24 -5.886 -13.584 -21.639 150 HG2 PRO 24 HG2 PRO 24 -7.916 -15.784 -21.593 151 HG3 PRO 24 HG3 PRO 24 -8.158 -14.034 -21.438 152 HD2 PRO 24 HD2 PRO 24 -8.597 -15.366 -23.755 153 HD3 PRO 24 HD3 PRO 24 -8.022 -13.687 -23.713 154 H SER 25 H SER 25 -3.140 -16.202 -22.743 155 HA SER 25 HA SER 25 -3.760 -18.958 -23.035 156 HB2 SER 25 HB2 SER 25 -1.303 -19.058 -21.960 157 HB3 SER 25 HB3 SER 25 -1.581 -18.621 -23.645 158 HG SER 25 HG SER 25 -0.365 -17.183 -21.856 159 HA PRO 26 HA PRO 26 -4.662 -20.309 -18.961 160 HB2 PRO 26 HB2 PRO 26 -3.235 -22.608 -18.739 161 HB3 PRO 26 HB3 PRO 26 -4.671 -22.463 -19.761 162 HG2 PRO 26 HG2 PRO 26 -1.780 -22.329 -20.526 163 HG3 PRO 26 HG3 PRO 26 -3.116 -23.161 -21.343 164 HD2 PRO 26 HD2 PRO 26 -2.163 -20.767 -22.176 165 HD3 PRO 26 HD3 PRO 26 -3.868 -21.229 -22.351 166 H GLN 27 H GLN 27 -1.242 -20.125 -19.778 167 HA GLN 27 HA GLN 27 -0.339 -20.236 -17.061 168 HB2 GLN 27 HB2 GLN 27 1.126 -19.275 -19.524 169 HB3 GLN 27 HB3 GLN 27 1.855 -19.687 -17.977 170 HG2 GLN 27 HG2 GLN 27 1.226 -21.996 -18.246 171 HG3 GLN 27 HG3 GLN 27 0.359 -21.618 -19.733 172 HE21 GLN 27 HE21 GLN 27 1.606 -20.861 -21.548 173 HE22 GLN 27 HE22 GLN 27 3.246 -21.371 -21.731 174 H CYS 28 H CYS 28 -1.331 -17.740 -19.268 175 HA CYS 28 HA CYS 28 -0.166 -15.555 -17.850 176 HB2 CYS 28 HB2 CYS 28 -0.625 -14.903 -19.996 177 HB3 CYS 28 HB3 CYS 28 -2.086 -15.880 -20.095 178 H CYS 29 H CYS 29 -3.484 -16.832 -18.052 179 HA CYS 29 HA CYS 29 -4.759 -15.084 -16.351 180 HB2 CYS 29 HB2 CYS 29 -5.189 -18.014 -16.889 181 HB3 CYS 29 HB3 CYS 29 -6.227 -17.126 -15.777 182 H GLY 30 H GLY 30 -2.679 -17.797 -15.554 183 HA2 GLY 30 HA2 GLY 30 -3.250 -18.116 -12.855 184 HA3 GLY 30 HA3 GLY 30 -1.675 -18.404 -13.581 185 H GLY 31 H GLY 31 -1.051 -15.797 -14.397 186 HA2 GLY 31 HA2 GLY 31 -0.146 -14.718 -11.897 187 HA3 GLY 31 HA3 GLY 31 0.159 -14.049 -13.493 188 H VAL 32 H VAL 32 -2.484 -13.690 -14.354 189 HA VAL 32 HA VAL 32 -3.087 -11.161 -13.457 190 HB VAL 32 HB VAL 32 -5.037 -13.203 -14.535 191 HG11 VAL 32 HG11 VAL 32 -6.158 -11.324 -13.431 192 HG12 VAL 32 HG12 VAL 32 -5.248 -10.195 -14.437 193 HG13 VAL 32 HG13 VAL 32 -6.409 -11.297 -15.177 194 HG21 VAL 32 HG21 VAL 32 -3.683 -11.012 -16.078 195 HG22 VAL 32 HG22 VAL 32 -2.956 -12.609 -15.900 196 HG23 VAL 32 HG23 VAL 32 -4.523 -12.436 -16.690 197 H LYS 33 H LYS 33 -4.389 -14.247 -12.295 198 HA LYS 33 HA LYS 33 -6.224 -13.150 -10.453 199 HB2 LYS 33 HB2 LYS 33 -4.838 -15.837 -10.441 200 HB3 LYS 33 HB3 LYS 33 -6.210 -15.408 -9.428 201 HG2 LYS 33 HG2 LYS 33 -7.696 -15.570 -11.129 202 HG3 LYS 33 HG3 LYS 33 -6.534 -15.033 -12.344 203 HD2 LYS 33 HD2 LYS 33 -5.474 -17.187 -12.367 204 HD3 LYS 33 HD3 LYS 33 -6.450 -17.732 -11.000 205 HE2 LYS 33 HE2 LYS 33 -8.400 -17.019 -12.709 206 HE3 LYS 33 HE3 LYS 33 -7.147 -17.482 -13.860 207 HZ1 LYS 33 HZ1 LYS 33 -8.863 -19.182 -12.633 208 HZ2 LYS 33 HZ2 LYS 33 -7.459 -19.356 -11.707 209 HZ3 LYS 33 HZ3 LYS 33 -7.410 -19.627 -13.376 210 H LYS 34 H LYS 34 -2.881 -14.277 -10.090 211 HA LYS 34 HA LYS 34 -2.679 -13.886 -7.314 212 HB2 LYS 34 HB2 LYS 34 -1.039 -15.213 -8.487 213 HB3 LYS 34 HB3 LYS 34 -0.568 -13.837 -9.476 214 HG2 LYS 34 HG2 LYS 34 0.648 -12.869 -7.800 215 HG3 LYS 34 HG3 LYS 34 -0.314 -13.614 -6.521 216 HD2 LYS 34 HD2 LYS 34 1.360 -15.326 -8.312 217 HD3 LYS 34 HD3 LYS 34 2.116 -14.446 -6.981 218 HE2 LYS 34 HE2 LYS 34 0.246 -15.485 -5.536 219 HE3 LYS 34 HE3 LYS 34 0.037 -16.604 -6.882 220 HZ1 LYS 34 HZ1 LYS 34 1.744 -17.769 -6.133 221 HZ2 LYS 34 HZ2 LYS 34 1.939 -16.700 -4.837 222 HZ3 LYS 34 HZ3 LYS 34 2.768 -16.431 -6.287 223 H LEU 35 H LEU 35 -2.065 -11.725 -10.042 224 HA LEU 35 HA LEU 35 -0.995 -9.593 -8.518 225 HB2 LEU 35 HB2 LEU 35 -0.552 -9.609 -10.835 226 HB3 LEU 35 HB3 LEU 35 -2.262 -9.749 -11.237 227 HG LEU 35 HG LEU 35 -2.659 -7.467 -10.662 228 HD11 LEU 35 HD11 LEU 35 -0.334 -6.208 -10.092 229 HD12 LEU 35 HD12 LEU 35 -0.093 -7.744 -9.260 230 HD13 LEU 35 HD13 LEU 35 -1.497 -6.747 -8.879 231 HD21 LEU 35 HD21 LEU 35 -1.409 -6.360 -12.333 232 HD22 LEU 35 HD22 LEU 35 -1.572 -8.031 -12.872 233 HD23 LEU 35 HD23 LEU 35 -0.054 -7.476 -12.165 234 H LEU 36 H LEU 36 -4.244 -10.109 -9.886 235 HA LEU 36 HA LEU 36 -5.396 -7.803 -8.744 236 HB2 LEU 36 HB2 LEU 36 -6.572 -10.377 -9.757 237 HB3 LEU 36 HB3 LEU 36 -7.568 -9.061 -9.139 238 HG LEU 36 HG LEU 36 -5.689 -8.818 -11.486 239 HD11 LEU 36 HD11 LEU 36 -7.520 -9.078 -12.928 240 HD12 LEU 36 HD12 LEU 36 -8.685 -8.969 -11.609 241 HD13 LEU 36 HD13 LEU 36 -7.664 -10.398 -11.767 242 HD21 LEU 36 HD21 LEU 36 -6.149 -6.727 -10.277 243 HD22 LEU 36 HD22 LEU 36 -7.879 -6.997 -10.491 244 HD23 LEU 36 HD23 LEU 36 -6.847 -6.729 -11.897 245 H ALA 37 H ALA 37 -4.760 -10.979 -7.496 246 HA ALA 37 HA ALA 37 -6.581 -10.983 -5.342 247 HB1 ALA 37 HB1 ALA 37 -3.987 -12.423 -5.818 248 HB2 ALA 37 HB2 ALA 37 -4.941 -12.654 -4.352 249 HB3 ALA 37 HB3 ALA 37 -5.631 -13.053 -5.925 250 H ALA 38 H ALA 38 -3.463 -9.498 -5.796 251 HA ALA 38 HA ALA 38 -3.127 -8.892 -2.983 252 HB1 ALA 38 HB1 ALA 38 -1.218 -7.423 -4.119 253 HB2 ALA 38 HB2 ALA 38 -1.045 -9.158 -3.850 254 HB3 ALA 38 HB3 ALA 38 -1.508 -8.554 -5.441 255 H ALA 39 H ALA 39 -4.022 -7.206 -5.952 256 HA ALA 39 HA ALA 39 -4.301 -4.673 -4.562 257 HB1 ALA 39 HB1 ALA 39 -3.505 -4.286 -6.683 258 HB2 ALA 39 HB2 ALA 39 -4.497 -5.554 -7.405 259 HB3 ALA 39 HB3 ALA 39 -5.234 -4.028 -6.918 260 H ASN 40 H ASN 40 -5.943 -5.408 -3.059 261 HA ASN 40 HA ASN 40 -8.622 -5.208 -4.233 262 HB2 ASN 40 HB2 ASN 40 -7.899 -7.629 -3.660 263 HB3 ASN 40 HB3 ASN 40 -8.091 -7.131 -1.982 264 HD21 ASN 40 HD21 ASN 40 -9.822 -7.030 -5.074 265 HD22 ASN 40 HD22 ASN 40 -11.382 -7.356 -4.406 266 H THR 41 H THR 41 -6.513 -3.751 -2.375 267 HA THR 41 HA THR 41 -8.399 -3.050 -0.229 268 HB THR 41 HB THR 41 -6.104 -1.810 0.510 269 HG1 THR 41 HG1 THR 41 -5.221 -4.280 -0.577 270 HG21 THR 41 HG21 THR 41 -5.949 -4.538 1.390 271 HG22 THR 41 HG22 THR 41 -7.635 -4.023 1.340 272 HG23 THR 41 HG23 THR 41 -6.461 -3.108 2.286 273 H THR 42 H THR 42 -5.731 -1.247 -1.728 274 HA THR 42 HA THR 42 -7.248 0.604 -3.157 275 HB THR 42 HB THR 42 -6.949 1.229 -0.266 276 HG1 THR 42 HG1 THR 42 -8.987 1.979 -0.577 277 HG21 THR 42 HG21 THR 42 -7.171 3.708 -0.947 278 HG22 THR 42 HG22 THR 42 -6.468 3.196 -2.481 279 HG23 THR 42 HG23 THR 42 -5.568 2.973 -0.981 280 HA PRO 43 HA PRO 43 -2.824 2.409 -2.402 281 HB2 PRO 43 HB2 PRO 43 -1.232 1.086 -0.645 282 HB3 PRO 43 HB3 PRO 43 -2.310 2.401 -0.162 283 HG2 PRO 43 HG2 PRO 43 -2.716 -0.557 0.053 284 HG3 PRO 43 HG3 PRO 43 -3.079 0.711 1.238 285 HD2 PRO 43 HD2 PRO 43 -4.981 -0.398 -0.338 286 HD3 PRO 43 HD3 PRO 43 -5.052 1.293 0.198 287 H ASP 44 H ASP 44 -3.464 -1.000 -2.480 288 HA ASP 44 HA ASP 44 -0.977 -1.655 -3.812 289 HB2 ASP 44 HB2 ASP 44 -3.293 -3.164 -2.738 290 HB3 ASP 44 HB3 ASP 44 -2.451 -3.891 -4.104 291 H ARG 45 H ARG 45 -4.329 -1.068 -4.640 292 HA ARG 45 HA ARG 45 -4.176 -2.030 -7.312 293 HB2 ARG 45 HB2 ARG 45 -6.092 0.014 -6.178 294 HB3 ARG 45 HB3 ARG 45 -6.316 -0.941 -7.637 295 HG2 ARG 45 HG2 ARG 45 -5.849 -2.756 -5.530 296 HG3 ARG 45 HG3 ARG 45 -7.025 -1.572 -4.953 297 HD2 ARG 45 HD2 ARG 45 -7.214 -3.227 -7.467 298 HD3 ARG 45 HD3 ARG 45 -8.167 -3.433 -5.998 299 HE ARG 45 HE ARG 45 -8.601 -1.515 -8.088 300 HH11 ARG 45 HH11 ARG 45 -9.084 -2.211 -4.711 301 HH12 ARG 45 HH12 ARG 45 -10.461 -1.171 -4.559 302 HH21 ARG 45 HH21 ARG 45 -10.413 -0.142 -7.901 303 HH22 ARG 45 HH22 ARG 45 -11.217 0.005 -6.374 304 H GLN 46 H GLN 46 -3.830 1.168 -5.835 305 HA GLN 46 HA GLN 46 -3.649 2.695 -8.157 306 HB2 GLN 46 HB2 GLN 46 -2.236 3.120 -5.519 307 HB3 GLN 46 HB3 GLN 46 -2.427 4.336 -6.775 308 HG2 GLN 46 HG2 GLN 46 -4.684 4.586 -6.379 309 HG3 GLN 46 HG3 GLN 46 -4.833 3.000 -5.624 310 HE21 GLN 46 HE21 GLN 46 -5.821 5.419 -4.555 311 HE22 GLN 46 HE22 GLN 46 -4.988 5.725 -3.073 312 H ALA 47 H ALA 47 -0.878 1.677 -6.152 313 HA ALA 47 HA ALA 47 1.124 2.320 -7.948 314 HB1 ALA 47 HB1 ALA 47 2.418 0.450 -6.744 315 HB2 ALA 47 HB2 ALA 47 1.832 1.813 -5.789 316 HB3 ALA 47 HB3 ALA 47 0.963 0.278 -5.761 317 H ALA 48 H ALA 48 -0.384 -0.880 -7.482 318 HA ALA 48 HA ALA 48 0.949 -2.281 -9.447 319 HB1 ALA 48 HB1 ALA 48 -0.629 -3.245 -7.787 320 HB2 ALA 48 HB2 ALA 48 -1.965 -2.626 -8.760 321 HB3 ALA 48 HB3 ALA 48 -0.875 -3.840 -9.429 322 H CYS 49 H CYS 49 -2.274 -0.792 -9.842 323 HA CYS 49 HA CYS 49 -2.511 -1.171 -12.578 324 HB2 CYS 49 HB2 CYS 49 -4.344 -0.420 -11.077 325 HB3 CYS 49 HB3 CYS 49 -3.586 1.166 -10.986 326 H ASN 50 H ASN 50 -1.557 1.871 -10.971 327 HA ASN 50 HA ASN 50 -0.870 3.356 -13.158 328 HB2 ASN 50 HB2 ASN 50 0.588 3.277 -10.507 329 HB3 ASN 50 HB3 ASN 50 0.703 4.575 -11.692 330 HD21 ASN 50 HD21 ASN 50 -0.198 4.665 -8.933 331 HD22 ASN 50 HD22 ASN 50 -1.812 5.278 -8.971 332 H CYS 51 H CYS 51 1.213 1.055 -11.432 333 HA CYS 51 HA CYS 51 3.570 1.419 -12.820 334 HB2 CYS 51 HB2 CYS 51 2.333 -0.868 -11.373 335 HB3 CYS 51 HB3 CYS 51 3.720 -1.218 -12.401 336 H LEU 52 H LEU 52 0.776 -0.564 -13.697 337 HA LEU 52 HA LEU 52 2.003 -1.574 -16.089 338 HB2 LEU 52 HB2 LEU 52 -0.891 -1.589 -15.243 339 HB3 LEU 52 HB3 LEU 52 -0.193 -2.527 -16.562 340 HG LEU 52 HG LEU 52 0.299 -2.881 -13.609 341 HD11 LEU 52 HD11 LEU 52 -1.597 -4.068 -13.916 342 HD12 LEU 52 HD12 LEU 52 -0.470 -5.275 -14.535 343 HD13 LEU 52 HD13 LEU 52 -1.346 -4.231 -15.655 344 HD21 LEU 52 HD21 LEU 52 1.933 -3.603 -15.903 345 HD22 LEU 52 HD22 LEU 52 1.473 -4.998 -14.926 346 HD23 LEU 52 HD23 LEU 52 2.317 -3.639 -14.182 347 H LYS 53 H LYS 53 -0.345 0.946 -15.302 348 HA LYS 53 HA LYS 53 -1.139 1.650 -17.872 349 HB2 LYS 53 HB2 LYS 53 -0.720 3.575 -15.583 350 HB3 LYS 53 HB3 LYS 53 -1.817 3.768 -16.944 351 HG2 LYS 53 HG2 LYS 53 -2.593 1.370 -15.812 352 HG3 LYS 53 HG3 LYS 53 -2.205 2.392 -14.426 353 HD2 LYS 53 HD2 LYS 53 -4.336 3.092 -14.705 354 HD3 LYS 53 HD3 LYS 53 -3.601 4.144 -15.917 355 HE2 LYS 53 HE2 LYS 53 -5.207 3.245 -17.233 356 HE3 LYS 53 HE3 LYS 53 -4.010 1.964 -17.419 357 HZ1 LYS 53 HZ1 LYS 53 -5.119 0.625 -15.859 358 HZ2 LYS 53 HZ2 LYS 53 -6.339 1.242 -16.854 359 HZ3 LYS 53 HZ3 LYS 53 -6.093 1.897 -15.314 360 H SER 54 H SER 54 1.722 2.586 -16.043 361 HA SER 54 HA SER 54 2.614 4.513 -17.962 362 HB2 SER 54 HB2 SER 54 3.256 4.603 -15.564 363 HB3 SER 54 HB3 SER 54 4.194 3.126 -15.783 364 HG SER 54 HG SER 54 5.744 4.294 -16.562 365 H ALA 55 H ALA 55 3.448 1.154 -17.212 366 HA ALA 55 HA ALA 55 5.505 0.942 -19.162 367 HB1 ALA 55 HB1 ALA 55 5.120 -0.534 -17.115 368 HB2 ALA 55 HB2 ALA 55 3.925 -1.379 -18.100 369 HB3 ALA 55 HB3 ALA 55 5.613 -1.331 -18.609 370 H ALA 56 H ALA 56 2.134 1.054 -19.408 371 HA ALA 56 HA ALA 56 1.980 -0.539 -21.834 372 HB1 ALA 56 HB1 ALA 56 0.069 0.609 -19.934 373 HB2 ALA 56 HB2 ALA 56 -0.449 0.673 -21.619 374 HB3 ALA 56 HB3 ALA 56 -0.024 -0.873 -20.885 375 H GLY 57 H GLY 57 2.404 2.753 -20.903 376 HA2 GLY 57 HA2 GLY 57 1.425 3.950 -23.307 377 HA3 GLY 57 HA3 GLY 57 2.437 4.724 -22.097 378 H SER 58 H SER 58 4.409 2.449 -22.407 379 HA SER 58 HA SER 58 5.860 3.657 -24.625 380 HB2 SER 58 HB2 SER 58 6.597 1.959 -22.280 381 HB3 SER 58 HB3 SER 58 7.648 1.934 -23.695 382 HG SER 58 HG SER 58 8.161 3.998 -23.379 383 H ILE 59 H ILE 59 3.589 1.455 -24.584 384 HA ILE 59 HA ILE 59 4.958 -0.464 -26.342 385 HB ILE 59 HB ILE 59 2.190 -0.805 -25.212 386 HG12 ILE 59 HG12 ILE 59 4.821 -1.666 -23.988 387 HG13 ILE 59 HG13 ILE 59 3.702 -0.481 -23.323 388 HG21 ILE 59 HG21 ILE 59 2.206 -2.720 -26.333 389 HG22 ILE 59 HG22 ILE 59 3.748 -2.253 -27.047 390 HG23 ILE 59 HG23 ILE 59 3.717 -3.202 -25.561 391 HD11 ILE 59 HD11 ILE 59 2.073 -2.614 -23.548 392 HD12 ILE 59 HD12 ILE 59 3.618 -3.412 -23.251 393 HD13 ILE 59 HD13 ILE 59 3.004 -2.223 -22.102 394 H THR 60 H THR 60 4.466 -0.596 -28.447 395 HA THR 60 HA THR 60 2.444 1.254 -29.486 396 HB THR 60 HB THR 60 4.833 1.295 -30.352 397 HG1 THR 60 HG1 THR 60 4.090 1.667 -32.474 398 HG21 THR 60 HG21 THR 60 5.647 -0.380 -31.738 399 HG22 THR 60 HG22 THR 60 4.043 -1.045 -32.046 400 HG23 THR 60 HG23 THR 60 4.820 -1.303 -30.484 401 H LYS 61 H LYS 61 3.258 -2.133 -29.302 402 HA LYS 61 HA LYS 61 1.094 -2.864 -31.119 403 HB2 LYS 61 HB2 LYS 61 3.358 -4.343 -29.831 404 HB3 LYS 61 HB3 LYS 61 1.965 -5.239 -30.424 405 HG2 LYS 61 HG2 LYS 61 3.394 -3.292 -32.190 406 HG3 LYS 61 HG3 LYS 61 4.002 -4.934 -31.966 407 HD2 LYS 61 HD2 LYS 61 1.127 -4.541 -32.653 408 HD3 LYS 61 HD3 LYS 61 2.340 -4.360 -33.922 409 HE2 LYS 61 HE2 LYS 61 1.917 -6.593 -34.120 410 HE3 LYS 61 HE3 LYS 61 3.207 -6.648 -32.919 411 HZ1 LYS 61 HZ1 LYS 61 1.829 -7.508 -31.426 412 HZ2 LYS 61 HZ2 LYS 61 0.699 -7.718 -32.667 413 HZ3 LYS 61 HZ3 LYS 61 0.649 -6.328 -31.704 414 H LEU 62 H LEU 62 0.836 -1.703 -28.296 415 HA LEU 62 HA LEU 62 -0.248 -3.699 -26.621 416 HB2 LEU 62 HB2 LEU 62 0.478 -1.580 -25.731 417 HB3 LEU 62 HB3 LEU 62 -0.712 -0.722 -26.709 418 HG LEU 62 HG LEU 62 -2.502 -1.866 -25.388 419 HD11 LEU 62 HD11 LEU 62 -1.786 -3.695 -24.298 420 HD12 LEU 62 HD12 LEU 62 -1.351 -2.541 -23.037 421 HD13 LEU 62 HD13 LEU 62 -0.128 -3.104 -24.177 422 HD21 LEU 62 HD21 LEU 62 -1.244 0.429 -24.897 423 HD22 LEU 62 HD22 LEU 62 -0.836 -0.422 -23.408 424 HD23 LEU 62 HD23 LEU 62 -2.526 -0.190 -23.856 425 H ASN 63 H ASN 63 -2.439 -4.123 -26.084 426 HA ASN 63 HA ASN 63 -4.424 -3.282 -28.078 427 HB2 ASN 63 HB2 ASN 63 -3.850 -6.110 -27.183 428 HB3 ASN 63 HB3 ASN 63 -5.342 -5.644 -27.994 429 HD21 ASN 63 HD21 ASN 63 -5.331 -6.100 -30.060 430 HD22 ASN 63 HD22 ASN 63 -3.962 -6.051 -31.114 431 H THR 64 H THR 64 -5.293 -1.866 -26.535 432 HA THR 64 HA THR 64 -5.935 -2.390 -23.905 433 HB THR 64 HB THR 64 -7.566 -0.613 -24.025 434 HG1 THR 64 HG1 THR 64 -8.718 -0.399 -25.778 435 HG21 THR 64 HG21 THR 64 -5.099 -0.093 -24.257 436 HG22 THR 64 HG22 THR 64 -6.203 1.156 -24.834 437 HG23 THR 64 HG23 THR 64 -5.390 0.095 -25.985 438 H ASN 65 H ASN 65 -7.499 -3.511 -26.796 439 HA ASN 65 HA ASN 65 -10.007 -4.198 -25.709 440 HB2 ASN 65 HB2 ASN 65 -8.462 -4.937 -28.142 441 HB3 ASN 65 HB3 ASN 65 -9.788 -5.999 -27.678 442 HD21 ASN 65 HD21 ASN 65 -11.899 -5.200 -27.682 443 HD22 ASN 65 HD22 ASN 65 -12.325 -3.766 -28.546 444 H ASN 66 H ASN 66 -6.990 -6.026 -26.043 445 HA ASN 66 HA ASN 66 -8.077 -8.412 -24.887 446 HB2 ASN 66 HB2 ASN 66 -5.228 -7.562 -25.447 447 HB3 ASN 66 HB3 ASN 66 -5.683 -9.156 -24.851 448 HD21 ASN 66 HD21 ASN 66 -4.567 -7.904 -27.454 449 HD22 ASN 66 HD22 ASN 66 -5.474 -8.711 -28.684 450 H ALA 67 H ALA 67 -6.713 -5.506 -23.669 451 HA ALA 67 HA ALA 67 -5.820 -6.547 -21.156 452 HB1 ALA 67 HB1 ALA 67 -6.385 -3.727 -22.058 453 HB2 ALA 67 HB2 ALA 67 -5.668 -4.156 -20.505 454 HB3 ALA 67 HB3 ALA 67 -4.817 -4.535 -22.003 455 H ALA 68 H ALA 68 -8.778 -5.063 -22.355 456 HA ALA 68 HA ALA 68 -10.001 -4.829 -19.776 457 HB1 ALA 68 HB1 ALA 68 -11.375 -3.508 -20.906 458 HB2 ALA 68 HB2 ALA 68 -10.572 -3.963 -22.409 459 HB3 ALA 68 HB3 ALA 68 -11.962 -4.886 -21.837 460 H ALA 69 H ALA 69 -10.146 -7.160 -22.428 461 HA ALA 69 HA ALA 69 -12.101 -8.793 -21.041 462 HB1 ALA 69 HB1 ALA 69 -12.251 -8.598 -23.455 463 HB2 ALA 69 HB2 ALA 69 -10.626 -9.263 -23.629 464 HB3 ALA 69 HB3 ALA 69 -11.927 -10.270 -22.995 465 H LEU 70 H LEU 70 -8.786 -8.396 -20.915 466 HA LEU 70 HA LEU 70 -7.753 -10.966 -20.740 467 HB2 LEU 70 HB2 LEU 70 -6.098 -9.406 -20.699 468 HB3 LEU 70 HB3 LEU 70 -7.005 -8.314 -19.654 469 HG LEU 70 HG LEU 70 -6.468 -9.774 -17.729 470 HD11 LEU 70 HD11 LEU 70 -5.582 -11.524 -19.823 471 HD12 LEU 70 HD12 LEU 70 -5.788 -11.850 -18.102 472 HD13 LEU 70 HD13 LEU 70 -4.262 -11.199 -18.699 473 HD21 LEU 70 HD21 LEU 70 -4.563 -8.644 -17.350 474 HD22 LEU 70 HD22 LEU 70 -4.934 -7.866 -18.889 475 HD23 LEU 70 HD23 LEU 70 -3.803 -9.219 -18.834 476 HA PRO 71 HA PRO 71 -8.693 -10.950 -16.003 477 HB2 PRO 71 HB2 PRO 71 -10.287 -8.968 -15.053 478 HB3 PRO 71 HB3 PRO 71 -8.528 -8.824 -15.148 479 HG2 PRO 71 HG2 PRO 71 -10.618 -7.770 -17.014 480 HG3 PRO 71 HG3 PRO 71 -9.155 -6.972 -16.407 481 HD2 PRO 71 HD2 PRO 71 -9.292 -8.085 -18.872 482 HD3 PRO 71 HD3 PRO 71 -7.790 -8.042 -17.926 483 H GLY 72 H GLY 72 -11.163 -9.865 -18.247 484 HA2 GLY 72 HA2 GLY 72 -13.375 -11.006 -16.849 485 HA3 GLY 72 HA3 GLY 72 -13.368 -10.472 -18.523 486 H LYS 73 H LYS 73 -11.437 -12.088 -19.625 487 HA LYS 73 HA LYS 73 -12.879 -14.538 -19.915 488 HB2 LYS 73 HB2 LYS 73 -10.435 -13.333 -21.124 489 HB3 LYS 73 HB3 LYS 73 -10.652 -15.072 -21.266 490 HG2 LYS 73 HG2 LYS 73 -12.838 -14.702 -22.316 491 HG3 LYS 73 HG3 LYS 73 -12.583 -12.959 -22.203 492 HD2 LYS 73 HD2 LYS 73 -10.362 -14.370 -23.464 493 HD3 LYS 73 HD3 LYS 73 -11.887 -14.554 -24.333 494 HE2 LYS 73 HE2 LYS 73 -10.815 -11.890 -23.428 495 HE3 LYS 73 HE3 LYS 73 -10.457 -12.585 -25.008 496 HZ1 LYS 73 HZ1 LYS 73 -13.234 -12.208 -24.061 497 HZ2 LYS 73 HZ2 LYS 73 -12.690 -12.456 -25.643 498 HZ3 LYS 73 HZ3 LYS 73 -12.392 -10.982 -24.868 499 H CYS 74 H CYS 74 -10.414 -13.473 -17.826 500 HA CYS 74 HA CYS 74 -9.403 -16.158 -17.307 501 HB2 CYS 74 HB2 CYS 74 -8.616 -13.413 -16.353 502 HB3 CYS 74 HB3 CYS 74 -7.987 -14.867 -15.585 503 H GLY 75 H GLY 75 -12.176 -14.964 -16.597 504 HA2 GLY 75 HA2 GLY 75 -13.710 -15.250 -14.915 505 HA3 GLY 75 HA3 GLY 75 -12.633 -16.494 -14.297 506 H VAL 76 H VAL 76 -12.877 -12.941 -14.451 507 HA VAL 76 HA VAL 76 -12.264 -12.839 -11.592 508 HB VAL 76 HB VAL 76 -10.841 -11.065 -13.577 509 HG11 VAL 76 HG11 VAL 76 -10.525 -9.811 -11.760 510 HG12 VAL 76 HG12 VAL 76 -11.149 -11.068 -10.689 511 HG13 VAL 76 HG13 VAL 76 -9.456 -11.091 -11.187 512 HG21 VAL 76 HG21 VAL 76 -8.839 -12.353 -13.137 513 HG22 VAL 76 HG22 VAL 76 -9.728 -13.416 -12.047 514 HG23 VAL 76 HG23 VAL 76 -10.100 -13.410 -13.771 515 H ASN 77 H ASN 77 -13.060 -11.014 -10.524 516 HA ASN 77 HA ASN 77 -15.358 -9.819 -11.743 517 HB2 ASN 77 HB2 ASN 77 -14.096 -9.037 -9.112 518 HB3 ASN 77 HB3 ASN 77 -15.772 -8.820 -9.609 519 HD21 ASN 77 HD21 ASN 77 -16.833 -10.972 -10.279 520 HD22 ASN 77 HD22 ASN 77 -16.587 -12.286 -9.185 521 H ILE 78 H ILE 78 -15.449 -7.999 -12.875 522 HA ILE 78 HA ILE 78 -13.482 -5.888 -12.382 523 HB ILE 78 HB ILE 78 -14.103 -6.958 -15.138 524 HG12 ILE 78 HG12 ILE 78 -12.555 -8.379 -13.824 525 HG13 ILE 78 HG13 ILE 78 -11.766 -7.630 -15.208 526 HG21 ILE 78 HG21 ILE 78 -13.580 -4.912 -15.836 527 HG22 ILE 78 HG22 ILE 78 -13.097 -4.412 -14.216 528 HG23 ILE 78 HG23 ILE 78 -11.938 -5.222 -15.270 529 HD11 ILE 78 HD11 ILE 78 -10.962 -7.577 -12.527 530 HD12 ILE 78 HD12 ILE 78 -10.246 -6.717 -13.891 531 HD13 ILE 78 HD13 ILE 78 -11.495 -5.942 -12.916 532 HA PRO 79 HA PRO 79 -17.772 -4.223 -12.698 533 HB2 PRO 79 HB2 PRO 79 -17.454 -2.437 -10.679 534 HB3 PRO 79 HB3 PRO 79 -17.923 -4.119 -10.408 535 HG2 PRO 79 HG2 PRO 79 -15.228 -2.840 -10.157 536 HG3 PRO 79 HG3 PRO 79 -16.014 -4.012 -9.083 537 HD2 PRO 79 HD2 PRO 79 -14.128 -4.728 -10.890 538 HD3 PRO 79 HD3 PRO 79 -15.464 -5.802 -10.428 539 H TYR 80 H TYR 80 -14.622 -3.053 -13.127 540 HA TYR 80 HA TYR 80 -15.449 -0.353 -13.834 541 HB2 TYR 80 HB2 TYR 80 -12.736 -1.688 -13.861 542 HB3 TYR 80 HB3 TYR 80 -13.022 -0.003 -14.281 543 HD1 TYR 80 HD1 TYR 80 -13.503 -2.434 -11.495 544 HD2 TYR 80 HD2 TYR 80 -12.930 1.628 -12.626 545 HE1 TYR 80 HE1 TYR 80 -13.280 -1.812 -9.126 546 HE2 TYR 80 HE2 TYR 80 -12.704 2.261 -10.260 547 HH TYR 80 HH TYR 80 -12.154 1.265 -8.132 548 H LYS 81 H LYS 81 -15.010 0.563 -15.917 549 HA LYS 81 HA LYS 81 -15.625 -1.272 -18.063 550 HB2 LYS 81 HB2 LYS 81 -15.364 1.722 -17.882 551 HB3 LYS 81 HB3 LYS 81 -15.563 0.906 -19.427 552 HG2 LYS 81 HG2 LYS 81 -17.727 0.309 -18.994 553 HG3 LYS 81 HG3 LYS 81 -17.492 0.305 -17.245 554 HD2 LYS 81 HD2 LYS 81 -17.300 2.867 -18.778 555 HD3 LYS 81 HD3 LYS 81 -18.881 2.204 -18.357 556 HE2 LYS 81 HE2 LYS 81 -18.202 2.154 -15.991 557 HE3 LYS 81 HE3 LYS 81 -16.654 2.871 -16.434 558 HZ1 LYS 81 HZ1 LYS 81 -18.059 4.730 -17.428 559 HZ2 LYS 81 HZ2 LYS 81 -17.947 4.658 -15.742 560 HZ3 LYS 81 HZ3 LYS 81 -19.340 4.098 -16.521 561 H ILE 82 H ILE 82 -12.829 -0.484 -16.598 562 HA ILE 82 HA ILE 82 -10.624 -0.615 -17.147 563 HB ILE 82 HB ILE 82 -11.834 -2.167 -19.421 564 HG12 ILE 82 HG12 ILE 82 -11.841 -3.078 -17.073 565 HG13 ILE 82 HG13 ILE 82 -11.004 -4.086 -18.249 566 HG21 ILE 82 HG21 ILE 82 -9.271 -2.923 -19.545 567 HG22 ILE 82 HG22 ILE 82 -9.942 -1.634 -20.542 568 HG23 ILE 82 HG23 ILE 82 -9.051 -1.238 -19.073 569 HD11 ILE 82 HD11 ILE 82 -9.178 -2.234 -17.032 570 HD12 ILE 82 HD12 ILE 82 -10.036 -3.168 -15.807 571 HD13 ILE 82 HD13 ILE 82 -9.134 -3.996 -17.076 572 H SER 83 H SER 83 -10.052 1.491 -17.452 573 HA SER 83 HA SER 83 -9.965 2.411 -20.245 574 HB2 SER 83 HB2 SER 83 -11.668 3.783 -19.437 575 HB3 SER 83 HB3 SER 83 -10.960 3.882 -17.825 576 HG SER 83 HG SER 83 -10.342 5.763 -18.600 577 H THR 84 H THR 84 -7.917 2.592 -20.832 578 HA THR 84 HA THR 84 -5.745 2.626 -19.029 579 HB THR 84 HB THR 84 -4.344 3.115 -21.018 580 HG1 THR 84 HG1 THR 84 -6.830 3.160 -22.416 581 HG21 THR 84 HG21 THR 84 -6.029 0.850 -20.585 582 HG22 THR 84 HG22 THR 84 -4.419 0.908 -21.304 583 HG23 THR 84 HG23 THR 84 -5.847 1.101 -22.320 584 H THR 85 H THR 85 -7.819 5.090 -20.046 585 HA THR 85 HA THR 85 -5.867 7.224 -19.680 586 HB THR 85 HB THR 85 -7.582 8.750 -20.385 587 HG1 THR 85 HG1 THR 85 -9.541 8.242 -19.759 588 HG21 THR 85 HG21 THR 85 -7.560 8.156 -22.565 589 HG22 THR 85 HG22 THR 85 -8.261 6.569 -22.246 590 HG23 THR 85 HG23 THR 85 -6.537 6.839 -21.993 591 H THR 86 H THR 86 -8.075 5.444 -17.830 592 HA THR 86 HA THR 86 -8.811 7.481 -15.961 593 HB THR 86 HB THR 86 -8.936 4.467 -15.773 594 HG1 THR 86 HG1 THR 86 -11.140 6.223 -15.921 595 HG21 THR 86 HG21 THR 86 -9.935 6.588 -13.874 596 HG22 THR 86 HG22 THR 86 -8.805 5.278 -13.529 597 HG23 THR 86 HG23 THR 86 -10.499 4.918 -13.858 598 H ASN 87 H ASN 87 -7.848 8.090 -14.101 599 HA ASN 87 HA ASN 87 -5.134 7.195 -13.640 600 HB2 ASN 87 HB2 ASN 87 -6.168 9.628 -13.460 601 HB3 ASN 87 HB3 ASN 87 -6.509 9.114 -11.811 602 HD21 ASN 87 HD21 ASN 87 -5.013 11.005 -11.499 603 HD22 ASN 87 HD22 ASN 87 -3.325 10.654 -11.399 604 H CYS 88 H CYS 88 -5.037 5.234 -12.691 605 HA CYS 88 HA CYS 88 -6.878 4.296 -10.752 606 HB2 CYS 88 HB2 CYS 88 -4.121 3.355 -11.548 607 HB3 CYS 88 HB3 CYS 88 -5.121 2.514 -10.368 608 H ASN 89 H ASN 89 -4.429 6.560 -10.531 609 HA ASN 89 HA ASN 89 -3.559 5.969 -7.852 610 HB2 ASN 89 HB2 ASN 89 -1.865 7.189 -8.698 611 HB3 ASN 89 HB3 ASN 89 -2.888 7.900 -9.944 612 HD21 ASN 89 HD21 ASN 89 -4.035 9.797 -9.484 613 HD22 ASN 89 HD22 ASN 89 -3.580 10.831 -8.177 614 H THR 90 H THR 90 -6.218 7.564 -9.268 615 HA THR 90 HA THR 90 -6.776 9.101 -6.835 616 HB THR 90 HB THR 90 -8.602 10.144 -8.137 617 HG1 THR 90 HG1 THR 90 -9.047 8.475 -9.604 618 HG21 THR 90 HG21 THR 90 -7.203 11.462 -9.614 619 HG22 THR 90 HG22 THR 90 -5.953 10.217 -9.586 620 HG23 THR 90 HG23 THR 90 -6.329 11.123 -8.121 621 H VAL 91 H VAL 91 -7.056 6.097 -7.275 622 HA VAL 91 HA VAL 91 -9.921 5.700 -6.977 623 HB VAL 91 HB VAL 91 -9.472 3.345 -7.011 624 HG11 VAL 91 HG11 VAL 91 -8.534 5.131 -9.053 625 HG12 VAL 91 HG12 VAL 91 -7.583 3.644 -9.062 626 HG13 VAL 91 HG13 VAL 91 -9.339 3.570 -9.217 627 HG21 VAL 91 HG21 VAL 91 -7.025 2.605 -7.243 628 HG22 VAL 91 HG22 VAL 91 -6.626 4.179 -6.555 629 HG23 VAL 91 HG23 VAL 91 -7.608 3.038 -5.636 630 H LYS 92 H LYS 92 -10.914 4.845 -5.142 631 HA LYS 92 HA LYS 92 -9.364 4.436 -2.727 632 HB2 LYS 92 HB2 LYS 92 -9.600 6.697 -2.316 633 HB3 LYS 92 HB3 LYS 92 -11.138 6.799 -3.162 634 HG2 LYS 92 HG2 LYS 92 -11.381 7.118 -0.748 635 HG3 LYS 92 HG3 LYS 92 -12.263 5.702 -1.323 636 HD2 LYS 92 HD2 LYS 92 -10.904 4.242 -0.227 637 HD3 LYS 92 HD3 LYS 92 -9.482 5.274 -0.392 638 HE2 LYS 92 HE2 LYS 92 -9.950 5.343 1.889 639 HE3 LYS 92 HE3 LYS 92 -10.672 6.828 1.273 640 HZ1 LYS 92 HZ1 LYS 92 -12.795 5.994 1.504 641 HZ2 LYS 92 HZ2 LYS 92 -12.023 5.344 2.861 642 HZ3 LYS 92 HZ3 LYS 92 -12.293 4.379 1.498 643 H PHE 93 H PHE 93 -10.125 2.544 -2.058 644 HA PHE 93 HA PHE 93 -12.669 1.518 -2.724 645 HB2 PHE 93 HB2 PHE 93 -10.991 -0.078 -2.272 646 HB3 PHE 93 HB3 PHE 93 -10.562 0.682 -0.743 647 HD1 PHE 93 HD1 PHE 93 -11.213 -0.406 1.160 648 HD2 PHE 93 HD2 PHE 93 -13.572 -0.826 -2.358 649 HE1 PHE 93 HE1 PHE 93 -12.707 -1.956 2.351 650 HE2 PHE 93 HE2 PHE 93 -15.070 -2.377 -1.172 651 HZ PHE 93 HZ PHE 93 -14.639 -2.943 1.185 652 HC11 PGM 101 H11 PPG 103 9.450 -6.131 -22.423 653 HC12 PGM 101 H12 PPG 103 8.847 -6.114 -23.946 654 HO1 PGM 101 H1 PPG 103 11.077 -7.539 -23.021 655 HC2 PGM 101 H2A PPG 103 11.534 -5.058 -23.521 656 HO2 PGM 101 H2 PPG 103 10.381 -5.562 -25.626 657 HC31 PGM 101 H31 PPG 103 8.926 -3.749 -23.187 658 HC32 PGM 101 H32 PPG 103 10.289 -2.874 -23.446 659 HC71 PGM 101 H91 PPG 103 8.496 -3.912 -18.807 660 HC72 PGM 101 H92 PPG 103 8.805 -4.781 -20.145 661 HC8 PGM 101 H10A PPG 103 7.082 -5.833 -18.891 662 HO8 PGM 101 H10 PPG 103 5.311 -5.510 -20.626 663 HC91 PGM 101 H111 PPG 103 5.834 -3.210 -19.247 664 HC92 PGM 101 H112 PPG 103 5.993 -4.001 -17.833 665 HCB1 PGM 101 H151 PPG 103 2.042 -5.246 -19.263 666 HCB2 PGM 101 H152 PPG 103 1.895 -4.445 -20.676 667 HCC1 PGM 101 H161 PPG 103 1.352 -2.437 -19.262 668 HCC2 PGM 101 H162 PPG 103 1.113 -3.510 -18.057 669 HCD1 PGM 101 H171 PPG 103 -0.252 -4.722 -19.860 670 HCD2 PGM 101 H172 PPG 103 -0.384 -3.217 -20.463 671 HCE1 PGM 101 H181 PPG 103 -1.251 -2.561 -18.260 672 HCE2 PGM 101 H182 PPG 103 -1.369 -4.151 -17.933 673 HCF1 PGM 101 H191 PPG 103 -3.394 -3.953 -18.653 674 HCF2 PGM 101 H192 PPG 103 -2.712 -4.022 -20.131 675 HCG1 PGM 101 H201 PPG 103 -4.310 -2.298 -20.054 676 HCG2 PGM 101 H202 PPG 103 -2.827 -1.685 -20.322 677 HCH1 PGM 101 H211 PPG 103 -3.680 -0.256 -18.751 678 HCH2 PGM 101 H212 PPG 103 -2.785 -1.277 -17.841 679 HCI1 PGM 101 H221 PPG 103 -5.406 -2.214 -18.392 680 HCI2 PGM 101 H222 PPG 103 -5.361 -0.903 -17.413 681 HCJ1 PGM 101 H231 PPG 103 -3.522 -2.512 -16.373 682 HCJ2 PGM 101 H232 PPG 103 -4.725 -3.539 -16.795 683 HCK1 PGM 101 H241 PPG 103 -6.254 -2.219 -15.482 684 HCK2 PGM 101 H242 PPG 103 -4.999 -1.301 -14.986 685 HCL1 PGM 101 H251 PPG 103 -3.970 -3.308 -14.044 686 HCL2 PGM 101 H252 PPG 103 -5.327 -4.138 -14.422 687 HCM1 PGM 101 H261 PPG 103 -6.443 -2.108 -13.205 688 HCM2 PGM 101 H262 PPG 103 -5.021 -2.104 -12.409 689 HCN1 PGM 101 H271 PPG 103 -6.401 -4.599 -12.789 690 HCN2 PGM 101 H272 PPG 103 -6.830 -3.655 -11.534 691 HCO1 PGM 101 H281 PPG 103 -5.178 -4.695 -10.495 692 HCO2 PGM 101 H282 PPG 103 -4.255 -3.576 -11.255 693 HCP1 PGM 101 H291 PPG 103 -3.224 -5.680 -11.353 694 HCP2 PGM 101 H292 PPG 103 -4.538 -6.301 -12.098 695 HCP3 PGM 101 H293 PPG 103 -3.627 -5.188 -12.861 Start of MODEL 6 1 H ALA 1 H ALA 1 3.583 -0.469 0.940 2 HA ALA 1 HA ALA 1 2.346 -0.413 -1.589 3 HB1 ALA 1 HB1 ALA 1 3.963 1.279 -0.414 4 HB2 ALA 1 HB2 ALA 1 5.205 0.370 -1.276 5 HB3 ALA 1 HB3 ALA 1 3.910 1.162 -2.173 6 H ILE 2 H ILE 2 2.498 -1.736 -3.276 7 HA ILE 2 HA ILE 2 4.268 -4.010 -3.173 8 HB ILE 2 HB ILE 2 3.140 -4.812 -5.126 9 HG12 ILE 2 HG12 ILE 2 1.927 -2.046 -5.316 10 HG13 ILE 2 HG13 ILE 2 3.090 -2.754 -6.431 11 HG21 ILE 2 HG21 ILE 2 1.911 -4.377 -2.750 12 HG22 ILE 2 HG22 ILE 2 0.785 -3.597 -3.860 13 HG23 ILE 2 HG23 ILE 2 1.208 -5.294 -4.082 14 HD11 ILE 2 HD11 ILE 2 1.376 -3.435 -7.648 15 HD12 ILE 2 HD12 ILE 2 0.969 -4.556 -6.348 16 HD13 ILE 2 HD13 ILE 2 0.228 -2.957 -6.398 17 H SER 3 H SER 3 5.271 -4.630 -5.424 18 HA SER 3 HA SER 3 6.763 -2.285 -6.405 19 HB2 SER 3 HB2 SER 3 7.834 -5.108 -6.229 20 HB3 SER 3 HB3 SER 3 8.736 -3.644 -6.621 21 HG SER 3 HG SER 3 7.974 -2.951 -4.418 22 H CYS 4 H CYS 4 6.791 -1.948 -8.542 23 HA CYS 4 HA CYS 4 5.034 -3.160 -10.286 24 HB2 CYS 4 HB2 CYS 4 7.654 -1.855 -11.048 25 HB3 CYS 4 HB3 CYS 4 6.247 -2.060 -12.086 26 H GLY 5 H GLY 5 8.254 -4.143 -9.385 27 HA2 GLY 5 HA2 GLY 5 8.984 -5.802 -11.468 28 HA3 GLY 5 HA3 GLY 5 9.396 -6.096 -9.785 29 H ALA 6 H ALA 6 6.879 -6.581 -8.719 30 HA ALA 6 HA ALA 6 6.416 -9.258 -9.727 31 HB1 ALA 6 HB1 ALA 6 6.595 -8.904 -7.324 32 HB2 ALA 6 HB2 ALA 6 5.203 -7.821 -7.369 33 HB3 ALA 6 HB3 ALA 6 5.002 -9.532 -7.750 34 H VAL 7 H VAL 7 5.029 -6.157 -10.069 35 HA VAL 7 HA VAL 7 2.338 -6.966 -10.585 36 HB VAL 7 HB VAL 7 3.743 -4.424 -11.419 37 HG11 VAL 7 HG11 VAL 7 1.252 -5.409 -12.177 38 HG12 VAL 7 HG12 VAL 7 0.908 -4.227 -10.913 39 HG13 VAL 7 HG13 VAL 7 1.832 -3.752 -12.338 40 HG21 VAL 7 HG21 VAL 7 3.058 -3.440 -9.411 41 HG22 VAL 7 HG22 VAL 7 1.927 -4.745 -9.050 42 HG23 VAL 7 HG23 VAL 7 3.664 -5.024 -8.927 43 H THR 8 H THR 8 5.097 -6.099 -12.646 44 HA THR 8 HA THR 8 3.672 -6.600 -15.082 45 HB THR 8 HB THR 8 5.743 -6.192 -16.223 46 HG1 THR 8 HG1 THR 8 6.920 -6.572 -13.660 47 HG21 THR 8 HG21 THR 8 5.539 -4.018 -15.788 48 HG22 THR 8 HG22 THR 8 6.409 -4.221 -14.268 49 HG23 THR 8 HG23 THR 8 4.657 -4.409 -14.313 50 H SER 9 H SER 9 6.140 -8.340 -13.217 51 HA SER 9 HA SER 9 6.593 -10.468 -14.925 52 HB2 SER 9 HB2 SER 9 7.640 -9.853 -12.594 53 HB3 SER 9 HB3 SER 9 6.415 -10.960 -11.974 54 HG SER 9 HG SER 9 8.100 -12.257 -12.392 55 H ASP 10 H ASP 10 4.047 -10.072 -12.498 56 HA ASP 10 HA ASP 10 2.906 -12.607 -12.651 57 HB2 ASP 10 HB2 ASP 10 1.756 -9.901 -12.007 58 HB3 ASP 10 HB3 ASP 10 0.754 -11.350 -11.995 59 H LEU 11 H LEU 11 2.865 -10.016 -14.915 60 HA LEU 11 HA LEU 11 0.708 -11.295 -16.447 61 HB2 LEU 11 HB2 LEU 11 1.895 -8.538 -16.504 62 HB3 LEU 11 HB3 LEU 11 0.885 -9.142 -17.816 63 HG LEU 11 HG LEU 11 0.078 -8.653 -14.954 64 HD11 LEU 11 HD11 LEU 11 -1.525 -7.107 -16.003 65 HD12 LEU 11 HD12 LEU 11 -0.800 -7.448 -17.573 66 HD13 LEU 11 HD13 LEU 11 0.152 -6.659 -16.317 67 HD21 LEU 11 HD21 LEU 11 -1.285 -10.415 -15.271 68 HD22 LEU 11 HD22 LEU 11 -1.101 -10.379 -17.025 69 HD23 LEU 11 HD23 LEU 11 -2.221 -9.270 -16.232 70 H SER 12 H SER 12 3.672 -12.017 -16.207 71 HA SER 12 HA SER 12 5.034 -11.476 -18.566 72 HB2 SER 12 HB2 SER 12 6.463 -12.556 -17.167 73 HB3 SER 12 HB3 SER 12 5.183 -13.541 -16.459 74 HG SER 12 HG SER 12 6.941 -14.183 -18.388 75 HA PRO 13 HA PRO 13 3.166 -15.488 -20.496 76 HB2 PRO 13 HB2 PRO 13 1.142 -16.699 -19.152 77 HB3 PRO 13 HB3 PRO 13 2.844 -17.092 -18.883 78 HG2 PRO 13 HG2 PRO 13 1.037 -15.315 -17.291 79 HG3 PRO 13 HG3 PRO 13 2.217 -16.510 -16.721 80 HD2 PRO 13 HD2 PRO 13 2.737 -13.853 -16.763 81 HD3 PRO 13 HD3 PRO 13 3.998 -15.077 -17.016 82 H CYS 14 H CYS 14 1.355 -12.996 -19.008 83 HA CYS 14 HA CYS 14 -0.971 -13.354 -20.718 84 HB2 CYS 14 HB2 CYS 14 -0.328 -11.222 -18.669 85 HB3 CYS 14 HB3 CYS 14 -1.857 -11.372 -19.529 86 H LEU 15 H LEU 15 1.940 -11.482 -20.564 87 HA LEU 15 HA LEU 15 1.400 -9.243 -22.034 88 HB2 LEU 15 HB2 LEU 15 3.618 -10.128 -21.043 89 HB3 LEU 15 HB3 LEU 15 3.843 -10.872 -22.625 90 HG LEU 15 HG LEU 15 3.822 -8.688 -23.685 91 HD11 LEU 15 HD11 LEU 15 2.641 -7.089 -22.676 92 HD12 LEU 15 HD12 LEU 15 4.067 -6.834 -21.671 93 HD13 LEU 15 HD13 LEU 15 2.761 -7.873 -21.101 94 HD21 LEU 15 HD21 LEU 15 5.972 -9.445 -23.010 95 HD22 LEU 15 HD22 LEU 15 5.686 -8.968 -21.336 96 HD23 LEU 15 HD23 LEU 15 5.870 -7.736 -22.586 97 H THR 16 H THR 16 2.057 -12.496 -23.281 98 HA THR 16 HA THR 16 2.108 -11.962 -25.995 99 HB THR 16 HB THR 16 0.974 -14.398 -24.608 100 HG1 THR 16 HG1 THR 16 3.220 -13.916 -24.213 101 HG21 THR 16 HG21 THR 16 0.382 -15.155 -26.617 102 HG22 THR 16 HG22 THR 16 2.060 -15.025 -27.142 103 HG23 THR 16 HG23 THR 16 0.957 -13.669 -27.371 104 H TYR 17 H TYR 17 -0.745 -13.186 -24.230 105 HA TYR 17 HA TYR 17 -2.572 -12.716 -26.296 106 HB2 TYR 17 HB2 TYR 17 -3.202 -14.201 -24.542 107 HB3 TYR 17 HB3 TYR 17 -2.939 -12.970 -23.312 108 HD1 TYR 17 HD1 TYR 17 -4.717 -11.645 -22.579 109 HD2 TYR 17 HD2 TYR 17 -5.091 -13.785 -26.238 110 HE1 TYR 17 HE1 TYR 17 -7.090 -11.011 -22.700 111 HE2 TYR 17 HE2 TYR 17 -7.465 -13.156 -26.369 112 HH TYR 17 HH TYR 17 -9.135 -12.058 -25.413 113 H LEU 18 H LEU 18 -1.373 -10.637 -23.746 114 HA LEU 18 HA LEU 18 -3.310 -8.577 -24.074 115 HB2 LEU 18 HB2 LEU 18 -0.581 -8.654 -22.816 116 HB3 LEU 18 HB3 LEU 18 -1.559 -7.189 -22.863 117 HG LEU 18 HG LEU 18 -2.252 -9.769 -21.460 118 HD11 LEU 18 HD11 LEU 18 -1.529 -7.036 -20.414 119 HD12 LEU 18 HD12 LEU 18 -0.542 -8.494 -20.309 120 HD13 LEU 18 HD13 LEU 18 -2.069 -8.399 -19.433 121 HD21 LEU 18 HD21 LEU 18 -3.941 -7.671 -20.660 122 HD22 LEU 18 HD22 LEU 18 -4.374 -9.127 -21.557 123 HD23 LEU 18 HD23 LEU 18 -3.930 -7.656 -22.424 124 H THR 19 H THR 19 -0.400 -9.440 -25.725 125 HA THR 19 HA THR 19 -0.223 -6.845 -27.056 126 HB THR 19 HB THR 19 1.814 -7.771 -28.128 127 HG1 THR 19 HG1 THR 19 1.075 -10.019 -27.944 128 HG21 THR 19 HG21 THR 19 1.429 -7.111 -25.393 129 HG22 THR 19 HG22 THR 19 2.881 -6.911 -26.374 130 HG23 THR 19 HG23 THR 19 2.624 -8.405 -25.473 131 H GLY 20 H GLY 20 -2.475 -8.720 -27.501 132 HA2 GLY 20 HA2 GLY 20 -3.793 -8.981 -29.417 133 HA3 GLY 20 HA3 GLY 20 -2.378 -8.657 -30.407 134 H GLY 21 H GLY 21 -1.398 -10.860 -28.186 135 HA2 GLY 21 HA2 GLY 21 -1.349 -12.980 -30.112 136 HA3 GLY 21 HA3 GLY 21 -0.744 -13.056 -28.464 137 HA PRO 22 HA PRO 22 -4.701 -15.566 -28.971 138 HB2 PRO 22 HB2 PRO 22 -3.608 -17.990 -28.423 139 HB3 PRO 22 HB3 PRO 22 -3.699 -17.325 -30.058 140 HG2 PRO 22 HG2 PRO 22 -1.390 -17.358 -28.154 141 HG3 PRO 22 HG3 PRO 22 -1.408 -17.688 -29.896 142 HD2 PRO 22 HD2 PRO 22 -0.611 -15.311 -28.871 143 HD3 PRO 22 HD3 PRO 22 -1.418 -15.449 -30.447 144 H GLY 23 H GLY 23 -5.927 -16.350 -27.258 145 HA2 GLY 23 HA2 GLY 23 -5.456 -17.399 -24.897 146 HA3 GLY 23 HA3 GLY 23 -4.810 -15.790 -24.610 147 HA PRO 24 HA PRO 24 -5.218 -15.144 -22.791 148 HB2 PRO 24 HB2 PRO 24 -6.459 -15.507 -20.404 149 HB3 PRO 24 HB3 PRO 24 -6.457 -13.960 -21.260 150 HG2 PRO 24 HG2 PRO 24 -8.583 -16.066 -21.157 151 HG3 PRO 24 HG3 PRO 24 -8.747 -14.303 -21.048 152 HD2 PRO 24 HD2 PRO 24 -9.246 -15.675 -23.329 153 HD3 PRO 24 HD3 PRO 24 -8.598 -14.023 -23.331 154 H SER 25 H SER 25 -3.843 -16.773 -22.505 155 HA SER 25 HA SER 25 -4.602 -19.485 -22.641 156 HB2 SER 25 HB2 SER 25 -2.125 -19.681 -21.625 157 HB3 SER 25 HB3 SER 25 -2.426 -19.275 -23.315 158 HG SER 25 HG SER 25 -0.948 -17.872 -22.012 159 HA PRO 26 HA PRO 26 -5.456 -20.694 -18.513 160 HB2 PRO 26 HB2 PRO 26 -4.129 -23.049 -18.265 161 HB3 PRO 26 HB3 PRO 26 -5.582 -22.864 -19.255 162 HG2 PRO 26 HG2 PRO 26 -2.708 -22.882 -20.093 163 HG3 PRO 26 HG3 PRO 26 -4.100 -23.672 -20.855 164 HD2 PRO 26 HD2 PRO 26 -3.062 -21.346 -21.774 165 HD3 PRO 26 HD3 PRO 26 -4.790 -21.734 -21.895 166 H GLN 27 H GLN 27 -2.058 -20.660 -19.422 167 HA GLN 27 HA GLN 27 -1.087 -20.755 -16.725 168 HB2 GLN 27 HB2 GLN 27 0.353 -19.910 -19.245 169 HB3 GLN 27 HB3 GLN 27 1.103 -20.323 -17.708 170 HG2 GLN 27 HG2 GLN 27 0.366 -22.608 -17.911 171 HG3 GLN 27 HG3 GLN 27 -0.519 -22.222 -19.386 172 HE21 GLN 27 HE21 GLN 27 0.848 -21.265 -21.152 173 HE22 GLN 27 HE22 GLN 27 2.409 -21.964 -21.398 174 H CYS 28 H CYS 28 -2.012 -18.267 -18.976 175 HA CYS 28 HA CYS 28 -0.728 -16.105 -17.630 176 HB2 CYS 28 HB2 CYS 28 -1.203 -15.517 -19.801 177 HB3 CYS 28 HB3 CYS 28 -2.736 -16.382 -19.814 178 H CYS 29 H CYS 29 -4.099 -17.246 -17.735 179 HA CYS 29 HA CYS 29 -5.272 -15.404 -16.061 180 HB2 CYS 29 HB2 CYS 29 -5.816 -18.318 -16.550 181 HB3 CYS 29 HB3 CYS 29 -6.771 -17.417 -15.377 182 H GLY 30 H GLY 30 -3.291 -18.182 -15.218 183 HA2 GLY 30 HA2 GLY 30 -3.811 -18.381 -12.498 184 HA3 GLY 30 HA3 GLY 30 -2.269 -18.766 -13.248 185 H GLY 31 H GLY 31 -1.551 -16.217 -14.169 186 HA2 GLY 31 HA2 GLY 31 -0.530 -15.100 -11.733 187 HA3 GLY 31 HA3 GLY 31 -0.247 -14.493 -13.358 188 H VAL 32 H VAL 32 -2.924 -14.075 -14.131 189 HA VAL 32 HA VAL 32 -3.387 -11.487 -13.304 190 HB VAL 32 HB VAL 32 -5.458 -13.475 -14.248 191 HG11 VAL 32 HG11 VAL 32 -6.747 -11.520 -14.934 192 HG12 VAL 32 HG12 VAL 32 -6.461 -11.508 -13.193 193 HG13 VAL 32 HG13 VAL 32 -5.517 -10.458 -14.250 194 HG21 VAL 32 HG21 VAL 32 -4.098 -11.410 -15.941 195 HG22 VAL 32 HG22 VAL 32 -3.369 -12.995 -15.682 196 HG23 VAL 32 HG23 VAL 32 -4.957 -12.867 -16.440 197 H LYS 33 H LYS 33 -4.847 -14.469 -12.044 198 HA LYS 33 HA LYS 33 -6.535 -13.225 -10.160 199 HB2 LYS 33 HB2 LYS 33 -5.324 -15.996 -10.131 200 HB3 LYS 33 HB3 LYS 33 -6.641 -15.459 -9.096 201 HG2 LYS 33 HG2 LYS 33 -8.175 -15.624 -10.733 202 HG3 LYS 33 HG3 LYS 33 -7.057 -15.077 -11.985 203 HD2 LYS 33 HD2 LYS 33 -6.005 -17.260 -12.041 204 HD3 LYS 33 HD3 LYS 33 -7.027 -17.815 -10.713 205 HE2 LYS 33 HE2 LYS 33 -8.852 -16.886 -12.545 206 HE3 LYS 33 HE3 LYS 33 -7.604 -17.597 -13.567 207 HZ1 LYS 33 HZ1 LYS 33 -9.475 -18.880 -11.773 208 HZ2 LYS 33 HZ2 LYS 33 -7.895 -19.478 -11.685 209 HZ3 LYS 33 HZ3 LYS 33 -8.720 -19.482 -13.162 210 H LYS 34 H LYS 34 -3.229 -14.459 -9.935 211 HA LYS 34 HA LYS 34 -2.907 -14.091 -7.160 212 HB2 LYS 34 HB2 LYS 34 -1.371 -15.489 -8.382 213 HB3 LYS 34 HB3 LYS 34 -0.888 -14.144 -9.407 214 HG2 LYS 34 HG2 LYS 34 0.476 -13.245 -7.828 215 HG3 LYS 34 HG3 LYS 34 -0.501 -13.841 -6.484 216 HD2 LYS 34 HD2 LYS 34 0.469 -15.942 -6.541 217 HD3 LYS 34 HD3 LYS 34 0.977 -15.774 -8.223 218 HE2 LYS 34 HE2 LYS 34 2.541 -13.942 -7.395 219 HE3 LYS 34 HE3 LYS 34 2.190 -14.529 -5.770 220 HZ1 LYS 34 HZ1 LYS 34 3.734 -16.066 -6.064 221 HZ2 LYS 34 HZ2 LYS 34 4.001 -15.565 -7.658 222 HZ3 LYS 34 HZ3 LYS 34 2.832 -16.742 -7.325 223 H LEU 35 H LEU 35 -2.351 -11.961 -9.919 224 HA LEU 35 HA LEU 35 -1.103 -9.873 -8.477 225 HB2 LEU 35 HB2 LEU 35 -0.804 -9.857 -10.800 226 HB3 LEU 35 HB3 LEU 35 -2.531 -10.019 -11.110 227 HG LEU 35 HG LEU 35 -2.914 -7.729 -10.485 228 HD11 LEU 35 HD11 LEU 35 -1.604 -6.790 -8.961 229 HD12 LEU 35 HD12 LEU 35 -0.380 -6.599 -10.216 230 HD13 LEU 35 HD13 LEU 35 -0.364 -8.025 -9.179 231 HD21 LEU 35 HD21 LEU 35 -1.071 -6.683 -12.108 232 HD22 LEU 35 HD22 LEU 35 -2.439 -7.626 -12.700 233 HD23 LEU 35 HD23 LEU 35 -0.859 -8.387 -12.511 234 H LEU 36 H LEU 36 -4.459 -10.257 -9.611 235 HA LEU 36 HA LEU 36 -5.430 -7.910 -8.382 236 HB2 LEU 36 HB2 LEU 36 -6.832 -10.425 -9.261 237 HB3 LEU 36 HB3 LEU 36 -7.671 -8.987 -8.685 238 HG LEU 36 HG LEU 36 -5.874 -9.032 -11.105 239 HD11 LEU 36 HD11 LEU 36 -7.765 -9.246 -12.476 240 HD12 LEU 36 HD12 LEU 36 -8.876 -8.986 -11.132 241 HD13 LEU 36 HD13 LEU 36 -7.956 -10.487 -11.237 242 HD21 LEU 36 HD21 LEU 36 -6.780 -6.884 -11.587 243 HD22 LEU 36 HD22 LEU 36 -6.230 -6.857 -9.911 244 HD23 LEU 36 HD23 LEU 36 -7.949 -7.014 -10.273 245 H ALA 37 H ALA 37 -5.068 -11.215 -7.267 246 HA ALA 37 HA ALA 37 -6.653 -11.024 -4.942 247 HB1 ALA 37 HB1 ALA 37 -5.452 -13.015 -4.184 248 HB2 ALA 37 HB2 ALA 37 -5.951 -13.165 -5.870 249 HB3 ALA 37 HB3 ALA 37 -4.272 -12.796 -5.477 250 H ALA 38 H ALA 38 -3.449 -9.929 -5.690 251 HA ALA 38 HA ALA 38 -2.661 -9.579 -2.934 252 HB1 ALA 38 HB1 ALA 38 -0.976 -10.104 -4.604 253 HB2 ALA 38 HB2 ALA 38 -1.361 -8.623 -5.482 254 HB3 ALA 38 HB3 ALA 38 -0.650 -8.534 -3.870 255 H ALA 39 H ALA 39 -3.844 -7.564 -5.577 256 HA ALA 39 HA ALA 39 -3.548 -5.102 -4.139 257 HB1 ALA 39 HB1 ALA 39 -5.246 -5.631 -6.571 258 HB2 ALA 39 HB2 ALA 39 -4.650 -4.072 -6.000 259 HB3 ALA 39 HB3 ALA 39 -3.519 -5.274 -6.622 260 H ASN 40 H ASN 40 -4.686 -6.119 -2.202 261 HA ASN 40 HA ASN 40 -7.602 -6.014 -2.431 262 HB2 ASN 40 HB2 ASN 40 -6.387 -7.941 -1.279 263 HB3 ASN 40 HB3 ASN 40 -6.018 -6.802 0.013 264 HD21 ASN 40 HD21 ASN 40 -8.476 -8.659 -1.558 265 HD22 ASN 40 HD22 ASN 40 -9.713 -8.407 -0.379 266 H THR 41 H THR 41 -5.040 -4.027 -1.624 267 HA THR 41 HA THR 41 -6.681 -2.403 0.201 268 HB THR 41 HB THR 41 -4.216 -1.230 0.275 269 HG1 THR 41 HG1 THR 41 -3.588 -3.970 0.417 270 HG21 THR 41 HG21 THR 41 -4.949 -1.559 2.377 271 HG22 THR 41 HG22 THR 41 -4.025 -3.059 2.299 272 HG23 THR 41 HG23 THR 41 -5.755 -3.070 1.959 273 H THR 42 H THR 42 -6.386 -0.015 -0.024 274 HA THR 42 HA THR 42 -7.065 0.808 -2.638 275 HB THR 42 HB THR 42 -6.452 2.281 -0.098 276 HG1 THR 42 HG1 THR 42 -8.555 1.286 -0.636 277 HG21 THR 42 HG21 THR 42 -5.591 3.917 -1.445 278 HG22 THR 42 HG22 THR 42 -7.306 4.306 -1.588 279 HG23 THR 42 HG23 THR 42 -6.502 3.385 -2.858 280 HA PRO 43 HA PRO 43 -2.655 2.817 -2.710 281 HB2 PRO 43 HB2 PRO 43 -0.876 1.912 -0.870 282 HB3 PRO 43 HB3 PRO 43 -1.939 3.294 -0.579 283 HG2 PRO 43 HG2 PRO 43 -2.246 0.449 0.301 284 HG3 PRO 43 HG3 PRO 43 -2.533 1.941 1.216 285 HD2 PRO 43 HD2 PRO 43 -4.541 0.507 0.102 286 HD3 PRO 43 HD3 PRO 43 -4.607 2.273 0.268 287 H ASP 44 H ASP 44 -3.413 -0.472 -2.271 288 HA ASP 44 HA ASP 44 -0.959 -1.472 -3.459 289 HB2 ASP 44 HB2 ASP 44 -3.376 -2.681 -2.213 290 HB3 ASP 44 HB3 ASP 44 -2.512 -3.649 -3.405 291 H ARG 45 H ARG 45 -4.319 -0.932 -4.350 292 HA ARG 45 HA ARG 45 -4.101 -2.205 -6.905 293 HB2 ARG 45 HB2 ARG 45 -6.174 -0.192 -6.026 294 HB3 ARG 45 HB3 ARG 45 -6.318 -1.374 -7.320 295 HG2 ARG 45 HG2 ARG 45 -5.711 -2.785 -4.945 296 HG3 ARG 45 HG3 ARG 45 -7.003 -1.639 -4.578 297 HD2 ARG 45 HD2 ARG 45 -6.975 -3.739 -6.739 298 HD3 ARG 45 HD3 ARG 45 -7.993 -3.700 -5.300 299 HE ARG 45 HE ARG 45 -8.586 -1.384 -6.613 300 HH11 ARG 45 HH11 ARG 45 -8.599 -4.761 -7.457 301 HH12 ARG 45 HH12 ARG 45 -9.894 -4.605 -8.598 302 HH21 ARG 45 HH21 ARG 45 -10.291 -1.165 -8.113 303 HH22 ARG 45 HH22 ARG 45 -10.854 -2.559 -8.971 304 H GLN 46 H GLN 46 -3.975 1.132 -5.741 305 HA GLN 46 HA GLN 46 -3.925 2.457 -8.184 306 HB2 GLN 46 HB2 GLN 46 -2.510 3.176 -5.612 307 HB3 GLN 46 HB3 GLN 46 -2.738 4.269 -6.970 308 HG2 GLN 46 HG2 GLN 46 -5.075 4.324 -6.662 309 HG3 GLN 46 HG3 GLN 46 -5.032 2.960 -5.546 310 HE21 GLN 46 HE21 GLN 46 -5.809 5.959 -5.481 311 HE22 GLN 46 HE22 GLN 46 -5.132 6.496 -3.986 312 H ALA 47 H ALA 47 -1.163 1.335 -6.232 313 HA ALA 47 HA ALA 47 0.828 2.090 -8.072 314 HB1 ALA 47 HB1 ALA 47 1.582 1.693 -5.904 315 HB2 ALA 47 HB2 ALA 47 0.760 0.136 -5.800 316 HB3 ALA 47 HB3 ALA 47 2.191 0.312 -6.815 317 H ALA 48 H ALA 48 -0.747 -1.052 -7.510 318 HA ALA 48 HA ALA 48 0.600 -2.621 -9.313 319 HB1 ALA 48 HB1 ALA 48 -1.194 -3.361 -7.739 320 HB2 ALA 48 HB2 ALA 48 -2.380 -2.744 -8.890 321 HB3 ALA 48 HB3 ALA 48 -1.302 -4.061 -9.354 322 H CYS 49 H CYS 49 -2.392 -0.801 -10.012 323 HA CYS 49 HA CYS 49 -2.415 -1.332 -12.769 324 HB2 CYS 49 HB2 CYS 49 -4.372 -0.503 -11.504 325 HB3 CYS 49 HB3 CYS 49 -3.574 1.056 -11.318 326 H ASN 50 H ASN 50 -1.497 1.696 -11.116 327 HA ASN 50 HA ASN 50 -0.561 3.123 -13.253 328 HB2 ASN 50 HB2 ASN 50 0.605 3.033 -10.461 329 HB3 ASN 50 HB3 ASN 50 0.938 4.289 -11.650 330 HD21 ASN 50 HD21 ASN 50 -0.202 4.646 -9.067 331 HD22 ASN 50 HD22 ASN 50 -1.786 5.302 -9.288 332 H CYS 51 H CYS 51 1.089 0.565 -11.485 333 HA CYS 51 HA CYS 51 3.647 0.882 -12.593 334 HB2 CYS 51 HB2 CYS 51 2.176 -1.385 -11.309 335 HB3 CYS 51 HB3 CYS 51 3.709 -1.711 -12.111 336 H LEU 52 H LEU 52 0.888 -1.083 -13.649 337 HA LEU 52 HA LEU 52 2.259 -2.127 -15.936 338 HB2 LEU 52 HB2 LEU 52 -0.688 -2.061 -15.304 339 HB3 LEU 52 HB3 LEU 52 0.072 -3.019 -16.573 340 HG LEU 52 HG LEU 52 0.362 -3.381 -13.594 341 HD11 LEU 52 HD11 LEU 52 -1.163 -4.721 -15.750 342 HD12 LEU 52 HD12 LEU 52 -1.572 -4.474 -14.053 343 HD13 LEU 52 HD13 LEU 52 -0.437 -5.744 -14.510 344 HD21 LEU 52 HD21 LEU 52 1.978 -4.382 -15.873 345 HD22 LEU 52 HD22 LEU 52 1.605 -5.512 -14.571 346 HD23 LEU 52 HD23 LEU 52 2.459 -4.010 -14.217 347 H LYS 53 H LYS 53 0.155 0.594 -15.293 348 HA LYS 53 HA LYS 53 -0.550 1.260 -17.920 349 HB2 LYS 53 HB2 LYS 53 -0.070 3.178 -15.634 350 HB3 LYS 53 HB3 LYS 53 -1.056 3.471 -17.060 351 HG2 LYS 53 HG2 LYS 53 -2.032 1.117 -15.850 352 HG3 LYS 53 HG3 LYS 53 -1.803 2.311 -14.571 353 HD2 LYS 53 HD2 LYS 53 -3.900 2.903 -15.236 354 HD3 LYS 53 HD3 LYS 53 -2.969 3.887 -16.367 355 HE2 LYS 53 HE2 LYS 53 -3.931 2.839 -18.071 356 HE3 LYS 53 HE3 LYS 53 -3.276 1.305 -17.502 357 HZ1 LYS 53 HZ1 LYS 53 -5.424 1.822 -15.873 358 HZ2 LYS 53 HZ2 LYS 53 -5.362 0.697 -17.133 359 HZ3 LYS 53 HZ3 LYS 53 -5.955 2.255 -17.420 360 H SER 54 H SER 54 2.303 2.056 -16.006 361 HA SER 54 HA SER 54 3.404 3.851 -17.939 362 HB2 SER 54 HB2 SER 54 4.362 2.585 -15.407 363 HB3 SER 54 HB3 SER 54 5.558 3.275 -16.504 364 HG SER 54 HG SER 54 4.299 4.602 -14.749 365 H ALA 55 H ALA 55 4.033 0.472 -17.052 366 HA ALA 55 HA ALA 55 6.104 0.054 -18.932 367 HB1 ALA 55 HB1 ALA 55 5.622 -2.372 -18.538 368 HB2 ALA 55 HB2 ALA 55 5.928 -1.431 -17.078 369 HB3 ALA 55 HB3 ALA 55 4.277 -1.873 -17.512 370 H ALA 56 H ALA 56 2.746 0.378 -19.302 371 HA ALA 56 HA ALA 56 2.548 -1.242 -21.694 372 HB1 ALA 56 HB1 ALA 56 0.496 0.708 -20.680 373 HB2 ALA 56 HB2 ALA 56 0.251 -0.702 -21.711 374 HB3 ALA 56 HB3 ALA 56 0.682 -0.915 -20.014 375 H GLY 57 H GLY 57 3.078 2.095 -20.843 376 HA2 GLY 57 HA2 GLY 57 2.395 3.283 -23.311 377 HA3 GLY 57 HA3 GLY 57 3.483 3.965 -22.111 378 H SER 58 H SER 58 5.170 1.467 -22.318 379 HA SER 58 HA SER 58 6.784 2.414 -24.546 380 HB2 SER 58 HB2 SER 58 7.498 0.178 -22.652 381 HB3 SER 58 HB3 SER 58 8.584 1.202 -23.592 382 HG SER 58 HG SER 58 7.676 2.976 -22.268 383 H ILE 59 H ILE 59 4.274 0.414 -24.368 384 HA ILE 59 HA ILE 59 5.403 -1.617 -26.169 385 HB ILE 59 HB ILE 59 2.662 -1.760 -24.949 386 HG12 ILE 59 HG12 ILE 59 5.257 -2.716 -23.721 387 HG13 ILE 59 HG13 ILE 59 4.224 -1.436 -23.095 388 HG21 ILE 59 HG21 ILE 59 2.569 -3.704 -26.012 389 HG22 ILE 59 HG22 ILE 59 4.141 -3.361 -26.732 390 HG23 ILE 59 HG23 ILE 59 4.042 -4.247 -25.210 391 HD11 ILE 59 HD11 ILE 59 3.983 -4.341 -22.859 392 HD12 ILE 59 HD12 ILE 59 3.400 -3.057 -21.799 393 HD13 ILE 59 HD13 ILE 59 2.477 -3.503 -23.234 394 H THR 60 H THR 60 4.839 -1.679 -28.252 395 HA THR 60 HA THR 60 2.887 0.288 -29.204 396 HB THR 60 HB THR 60 5.250 0.152 -30.165 397 HG1 THR 60 HG1 THR 60 4.197 1.253 -31.626 398 HG21 THR 60 HG21 THR 60 5.778 -1.530 -31.733 399 HG22 THR 60 HG22 THR 60 4.123 -2.139 -31.758 400 HG23 THR 60 HG23 THR 60 5.134 -2.388 -30.335 401 H LYS 61 H LYS 61 3.467 -3.138 -29.007 402 HA LYS 61 HA LYS 61 1.232 -3.752 -30.774 403 HB2 LYS 61 HB2 LYS 61 3.209 -5.499 -29.304 404 HB3 LYS 61 HB3 LYS 61 1.876 -6.137 -30.257 405 HG2 LYS 61 HG2 LYS 61 2.788 -5.364 -32.265 406 HG3 LYS 61 HG3 LYS 61 3.890 -4.259 -31.441 407 HD2 LYS 61 HD2 LYS 61 5.201 -6.097 -30.614 408 HD3 LYS 61 HD3 LYS 61 4.034 -7.265 -31.238 409 HE2 LYS 61 HE2 LYS 61 4.533 -6.184 -33.531 410 HE3 LYS 61 HE3 LYS 61 5.969 -5.538 -32.739 411 HZ1 LYS 61 HZ1 LYS 61 6.957 -7.526 -32.751 412 HZ2 LYS 61 HZ2 LYS 61 5.815 -7.951 -33.924 413 HZ3 LYS 61 HZ3 LYS 61 5.552 -8.356 -32.303 414 H LEU 62 H LEU 62 1.188 -2.548 -27.904 415 HA LEU 62 HA LEU 62 -0.129 -4.418 -26.247 416 HB2 LEU 62 HB2 LEU 62 0.883 -2.473 -25.288 417 HB3 LEU 62 HB3 LEU 62 -0.122 -1.407 -26.268 418 HG LEU 62 HG LEU 62 -2.100 -2.439 -24.979 419 HD11 LEU 62 HD11 LEU 62 -0.782 -2.842 -22.556 420 HD12 LEU 62 HD12 LEU 62 0.130 -3.777 -23.741 421 HD13 LEU 62 HD13 LEU 62 -1.600 -4.055 -23.542 422 HD21 LEU 62 HD21 LEU 62 -1.470 -0.147 -24.690 423 HD22 LEU 62 HD22 LEU 62 -0.091 -0.600 -23.689 424 HD23 LEU 62 HD23 LEU 62 -1.733 -0.851 -23.094 425 H ASN 63 H ASN 63 -2.127 -5.194 -26.332 426 HA ASN 63 HA ASN 63 -4.076 -3.851 -28.075 427 HB2 ASN 63 HB2 ASN 63 -3.840 -6.716 -27.150 428 HB3 ASN 63 HB3 ASN 63 -5.268 -6.092 -27.971 429 HD21 ASN 63 HD21 ASN 63 -5.307 -6.479 -30.052 430 HD22 ASN 63 HD22 ASN 63 -3.936 -6.628 -31.093 431 H THR 64 H THR 64 -4.906 -2.346 -26.644 432 HA THR 64 HA THR 64 -5.588 -2.679 -23.995 433 HB THR 64 HB THR 64 -7.166 -0.838 -24.257 434 HG1 THR 64 HG1 THR 64 -8.113 -0.472 -26.116 435 HG21 THR 64 HG21 THR 64 -5.655 0.822 -25.015 436 HG22 THR 64 HG22 THR 64 -4.840 -0.309 -26.096 437 HG23 THR 64 HG23 THR 64 -4.657 -0.470 -24.350 438 H ASN 65 H ASN 65 -7.248 -3.817 -26.837 439 HA ASN 65 HA ASN 65 -9.771 -4.320 -25.685 440 HB2 ASN 65 HB2 ASN 65 -8.326 -5.207 -28.128 441 HB3 ASN 65 HB3 ASN 65 -9.700 -6.180 -27.611 442 HD21 ASN 65 HD21 ASN 65 -11.609 -5.591 -28.334 443 HD22 ASN 65 HD22 ASN 65 -12.030 -4.028 -28.938 444 H ASN 66 H ASN 66 -6.858 -6.305 -25.990 445 HA ASN 66 HA ASN 66 -8.052 -8.618 -24.796 446 HB2 ASN 66 HB2 ASN 66 -5.126 -7.956 -25.200 447 HB3 ASN 66 HB3 ASN 66 -5.784 -9.543 -24.816 448 HD21 ASN 66 HD21 ASN 66 -5.703 -10.808 -26.514 449 HD22 ASN 66 HD22 ASN 66 -6.059 -10.356 -28.143 450 H ALA 67 H ALA 67 -6.592 -5.746 -23.616 451 HA ALA 67 HA ALA 67 -5.737 -6.758 -21.085 452 HB1 ALA 67 HB1 ALA 67 -5.687 -4.240 -22.479 453 HB2 ALA 67 HB2 ALA 67 -6.195 -4.018 -20.804 454 HB3 ALA 67 HB3 ALA 67 -4.663 -4.815 -21.162 455 H ALA 68 H ALA 68 -8.673 -5.238 -22.303 456 HA ALA 68 HA ALA 68 -9.896 -4.995 -19.720 457 HB1 ALA 68 HB1 ALA 68 -11.810 -4.992 -21.856 458 HB2 ALA 68 HB2 ALA 68 -11.296 -3.665 -20.813 459 HB3 ALA 68 HB3 ALA 68 -10.409 -4.016 -22.296 460 H ALA 69 H ALA 69 -10.002 -7.321 -22.362 461 HA ALA 69 HA ALA 69 -12.058 -8.902 -21.066 462 HB1 ALA 69 HB1 ALA 69 -12.451 -9.547 -23.149 463 HB2 ALA 69 HB2 ALA 69 -11.033 -8.659 -23.709 464 HB3 ALA 69 HB3 ALA 69 -10.876 -10.339 -23.197 465 H LEU 70 H LEU 70 -8.704 -8.613 -20.886 466 HA LEU 70 HA LEU 70 -7.803 -11.222 -20.579 467 HB2 LEU 70 HB2 LEU 70 -6.072 -9.746 -20.599 468 HB3 LEU 70 HB3 LEU 70 -6.929 -8.560 -19.616 469 HG LEU 70 HG LEU 70 -6.464 -9.901 -17.612 470 HD11 LEU 70 HD11 LEU 70 -5.664 -11.850 -19.601 471 HD12 LEU 70 HD12 LEU 70 -6.053 -12.068 -17.895 472 HD13 LEU 70 HD13 LEU 70 -4.421 -11.600 -18.375 473 HD21 LEU 70 HD21 LEU 70 -3.837 -9.545 -18.988 474 HD22 LEU 70 HD22 LEU 70 -4.305 -9.140 -17.336 475 HD23 LEU 70 HD23 LEU 70 -4.864 -8.144 -18.681 476 HA PRO 71 HA PRO 71 -8.779 -10.921 -15.857 477 HB2 PRO 71 HB2 PRO 71 -10.290 -8.824 -15.027 478 HB3 PRO 71 HB3 PRO 71 -8.525 -8.764 -15.109 479 HG2 PRO 71 HG2 PRO 71 -10.548 -7.714 -17.050 480 HG3 PRO 71 HG3 PRO 71 -9.056 -6.953 -16.468 481 HD2 PRO 71 HD2 PRO 71 -9.221 -8.183 -18.874 482 HD3 PRO 71 HD3 PRO 71 -7.728 -8.159 -17.915 483 H GLY 72 H GLY 72 -11.165 -9.869 -18.198 484 HA2 GLY 72 HA2 GLY 72 -13.445 -10.825 -16.765 485 HA3 GLY 72 HA3 GLY 72 -13.396 -10.383 -18.465 486 H LYS 73 H LYS 73 -11.717 -12.091 -19.616 487 HA LYS 73 HA LYS 73 -13.197 -14.462 -19.832 488 HB2 LYS 73 HB2 LYS 73 -10.561 -13.512 -20.841 489 HB3 LYS 73 HB3 LYS 73 -10.898 -15.235 -20.931 490 HG2 LYS 73 HG2 LYS 73 -11.792 -14.716 -22.915 491 HG3 LYS 73 HG3 LYS 73 -13.187 -14.217 -21.955 492 HD2 LYS 73 HD2 LYS 73 -12.404 -11.925 -21.949 493 HD3 LYS 73 HD3 LYS 73 -10.934 -12.397 -22.804 494 HE2 LYS 73 HE2 LYS 73 -12.698 -11.365 -24.247 495 HE3 LYS 73 HE3 LYS 73 -12.167 -12.964 -24.764 496 HZ1 LYS 73 HZ1 LYS 73 -14.617 -12.603 -24.807 497 HZ2 LYS 73 HZ2 LYS 73 -14.591 -12.505 -23.119 498 HZ3 LYS 73 HZ3 LYS 73 -14.126 -13.937 -23.890 499 H CYS 74 H CYS 74 -10.763 -13.525 -17.611 500 HA CYS 74 HA CYS 74 -10.114 -16.267 -16.867 501 HB2 CYS 74 HB2 CYS 74 -9.111 -13.589 -15.896 502 HB3 CYS 74 HB3 CYS 74 -8.620 -15.119 -15.176 503 H GLY 75 H GLY 75 -12.780 -14.764 -16.436 504 HA2 GLY 75 HA2 GLY 75 -14.432 -14.715 -14.843 505 HA3 GLY 75 HA3 GLY 75 -13.596 -16.086 -14.128 506 H VAL 76 H VAL 76 -13.396 -12.538 -14.338 507 HA VAL 76 HA VAL 76 -12.750 -12.499 -11.472 508 HB VAL 76 HB VAL 76 -11.400 -10.682 -13.466 509 HG11 VAL 76 HG11 VAL 76 -9.942 -10.984 -11.070 510 HG12 VAL 76 HG12 VAL 76 -10.784 -9.549 -11.658 511 HG13 VAL 76 HG13 VAL 76 -11.623 -10.702 -10.619 512 HG21 VAL 76 HG21 VAL 76 -9.396 -12.034 -13.186 513 HG22 VAL 76 HG22 VAL 76 -10.277 -13.154 -12.147 514 HG23 VAL 76 HG23 VAL 76 -10.709 -13.005 -13.851 515 H ASN 77 H ASN 77 -13.505 -10.717 -10.329 516 HA ASN 77 HA ASN 77 -15.695 -9.302 -11.618 517 HB2 ASN 77 HB2 ASN 77 -14.795 -9.385 -8.729 518 HB3 ASN 77 HB3 ASN 77 -16.222 -8.533 -9.311 519 HD21 ASN 77 HD21 ASN 77 -18.075 -9.608 -9.459 520 HD22 ASN 77 HD22 ASN 77 -18.254 -11.317 -9.275 521 H ILE 78 H ILE 78 -15.305 -7.440 -12.604 522 HA ILE 78 HA ILE 78 -13.737 -5.398 -11.254 523 HB ILE 78 HB ILE 78 -13.057 -6.286 -14.060 524 HG12 ILE 78 HG12 ILE 78 -11.479 -6.448 -11.483 525 HG13 ILE 78 HG13 ILE 78 -12.158 -7.807 -12.372 526 HG21 ILE 78 HG21 ILE 78 -11.297 -4.580 -13.940 527 HG22 ILE 78 HG22 ILE 78 -12.907 -3.875 -13.808 528 HG23 ILE 78 HG23 ILE 78 -11.910 -4.070 -12.367 529 HD11 ILE 78 HD11 ILE 78 -10.670 -6.804 -14.312 530 HD12 ILE 78 HD12 ILE 78 -9.757 -6.174 -12.940 531 HD13 ILE 78 HD13 ILE 78 -10.017 -7.911 -13.104 532 HA PRO 79 HA PRO 79 -17.518 -3.741 -13.294 533 HB2 PRO 79 HB2 PRO 79 -18.119 -2.039 -11.266 534 HB3 PRO 79 HB3 PRO 79 -18.616 -3.735 -11.275 535 HG2 PRO 79 HG2 PRO 79 -16.306 -2.446 -9.874 536 HG3 PRO 79 HG3 PRO 79 -17.439 -3.668 -9.270 537 HD2 PRO 79 HD2 PRO 79 -14.953 -4.292 -10.144 538 HD3 PRO 79 HD3 PRO 79 -16.333 -5.395 -10.322 539 H TYR 80 H TYR 80 -14.497 -2.552 -12.373 540 HA TYR 80 HA TYR 80 -14.908 0.218 -12.951 541 HB2 TYR 80 HB2 TYR 80 -12.519 -1.522 -12.470 542 HB3 TYR 80 HB3 TYR 80 -12.291 0.085 -13.151 543 HD1 TYR 80 HD1 TYR 80 -13.461 -1.788 -10.203 544 HD2 TYR 80 HD2 TYR 80 -12.573 2.050 -11.809 545 HE1 TYR 80 HE1 TYR 80 -13.567 -0.825 -7.942 546 HE2 TYR 80 HE2 TYR 80 -12.674 3.024 -9.553 547 HH TYR 80 HH TYR 80 -13.876 2.367 -7.318 548 H LYS 81 H LYS 81 -14.853 1.248 -14.846 549 HA LYS 81 HA LYS 81 -14.890 -0.170 -17.284 550 HB2 LYS 81 HB2 LYS 81 -14.848 2.718 -16.516 551 HB3 LYS 81 HB3 LYS 81 -14.549 2.285 -18.194 552 HG2 LYS 81 HG2 LYS 81 -16.721 0.930 -18.023 553 HG3 LYS 81 HG3 LYS 81 -17.022 1.868 -16.558 554 HD2 LYS 81 HD2 LYS 81 -16.529 3.920 -18.054 555 HD3 LYS 81 HD3 LYS 81 -16.811 2.809 -19.397 556 HE2 LYS 81 HE2 LYS 81 -19.037 2.515 -18.857 557 HE3 LYS 81 HE3 LYS 81 -18.796 2.970 -17.171 558 HZ1 LYS 81 HZ1 LYS 81 -19.991 4.656 -18.499 559 HZ2 LYS 81 HZ2 LYS 81 -18.607 4.864 -19.448 560 HZ3 LYS 81 HZ3 LYS 81 -18.568 5.248 -17.801 561 H ILE 82 H ILE 82 -13.069 -1.307 -17.753 562 HA ILE 82 HA ILE 82 -10.439 -0.624 -17.289 563 HB ILE 82 HB ILE 82 -11.702 -2.304 -19.432 564 HG12 ILE 82 HG12 ILE 82 -11.565 -3.052 -17.024 565 HG13 ILE 82 HG13 ILE 82 -10.808 -4.137 -18.185 566 HG21 ILE 82 HG21 ILE 82 -9.166 -3.055 -19.681 567 HG22 ILE 82 HG22 ILE 82 -9.870 -1.778 -20.671 568 HG23 ILE 82 HG23 ILE 82 -8.896 -1.363 -19.261 569 HD11 ILE 82 HD11 ILE 82 -9.461 -3.874 -16.175 570 HD12 ILE 82 HD12 ILE 82 -8.621 -3.255 -17.597 571 HD13 ILE 82 HD13 ILE 82 -9.370 -2.136 -16.458 572 H SER 83 H SER 83 -9.658 1.351 -17.748 573 HA SER 83 HA SER 83 -9.582 2.139 -20.570 574 HB2 SER 83 HB2 SER 83 -10.918 3.582 -18.397 575 HB3 SER 83 HB3 SER 83 -9.764 4.574 -19.289 576 HG SER 83 HG SER 83 -12.210 3.793 -20.024 577 H THR 84 H THR 84 -7.518 2.267 -21.114 578 HA THR 84 HA THR 84 -5.381 2.353 -19.295 579 HB THR 84 HB THR 84 -3.942 2.784 -21.254 580 HG1 THR 84 HG1 THR 84 -4.765 3.500 -23.088 581 HG21 THR 84 HG21 THR 84 -5.692 0.571 -20.865 582 HG22 THR 84 HG22 THR 84 -4.081 0.587 -21.582 583 HG23 THR 84 HG23 THR 84 -5.502 0.831 -22.598 584 H THR 85 H THR 85 -7.395 4.829 -20.467 585 HA THR 85 HA THR 85 -5.438 6.939 -19.983 586 HB THR 85 HB THR 85 -6.896 7.158 -21.948 587 HG1 THR 85 HG1 THR 85 -7.528 9.310 -21.501 588 HG21 THR 85 HG21 THR 85 -8.930 6.428 -20.059 589 HG22 THR 85 HG22 THR 85 -9.039 6.563 -21.814 590 HG23 THR 85 HG23 THR 85 -9.333 7.976 -20.801 591 H THR 86 H THR 86 -7.631 5.165 -18.213 592 HA THR 86 HA THR 86 -8.642 7.231 -16.503 593 HB THR 86 HB THR 86 -8.588 4.227 -16.192 594 HG1 THR 86 HG1 THR 86 -10.469 6.127 -17.103 595 HG21 THR 86 HG21 THR 86 -10.320 4.681 -14.400 596 HG22 THR 86 HG22 THR 86 -9.777 6.359 -14.426 597 HG23 THR 86 HG23 THR 86 -8.655 5.075 -13.977 598 H ASN 87 H ASN 87 -7.965 7.830 -14.476 599 HA ASN 87 HA ASN 87 -5.184 7.278 -13.865 600 HB2 ASN 87 HB2 ASN 87 -6.362 9.578 -13.742 601 HB3 ASN 87 HB3 ASN 87 -7.012 9.002 -12.210 602 HD21 ASN 87 HD21 ASN 87 -5.689 11.073 -11.744 603 HD22 ASN 87 HD22 ASN 87 -4.067 10.799 -11.214 604 H CYS 88 H CYS 88 -5.039 5.227 -13.056 605 HA CYS 88 HA CYS 88 -6.838 4.103 -11.186 606 HB2 CYS 88 HB2 CYS 88 -3.984 3.369 -11.865 607 HB3 CYS 88 HB3 CYS 88 -5.046 2.393 -10.855 608 H ASN 89 H ASN 89 -4.528 6.502 -10.827 609 HA ASN 89 HA ASN 89 -3.714 5.870 -8.138 610 HB2 ASN 89 HB2 ASN 89 -2.047 7.182 -8.901 611 HB3 ASN 89 HB3 ASN 89 -3.063 7.892 -10.152 612 HD21 ASN 89 HD21 ASN 89 -4.305 9.722 -9.661 613 HD22 ASN 89 HD22 ASN 89 -3.929 10.730 -8.309 614 H THR 90 H THR 90 -6.391 7.388 -9.604 615 HA THR 90 HA THR 90 -7.077 8.942 -7.235 616 HB THR 90 HB THR 90 -8.983 9.760 -8.523 617 HG1 THR 90 HG1 THR 90 -8.048 8.149 -10.675 618 HG21 THR 90 HG21 THR 90 -7.141 11.107 -8.934 619 HG22 THR 90 HG22 THR 90 -7.618 10.633 -10.565 620 HG23 THR 90 HG23 THR 90 -6.264 9.827 -9.772 621 H VAL 91 H VAL 91 -7.317 5.800 -8.066 622 HA VAL 91 HA VAL 91 -10.041 5.281 -7.286 623 HB VAL 91 HB VAL 91 -9.626 3.021 -7.695 624 HG11 VAL 91 HG11 VAL 91 -9.455 4.351 -9.729 625 HG12 VAL 91 HG12 VAL 91 -7.717 4.530 -9.479 626 HG13 VAL 91 HG13 VAL 91 -8.401 2.939 -9.813 627 HG21 VAL 91 HG21 VAL 91 -6.925 3.668 -6.733 628 HG22 VAL 91 HG22 VAL 91 -7.887 2.205 -6.520 629 HG23 VAL 91 HG23 VAL 91 -6.994 2.463 -8.019 630 H LYS 92 H LYS 92 -10.488 3.685 -5.507 631 HA LYS 92 HA LYS 92 -8.636 3.601 -3.304 632 HB2 LYS 92 HB2 LYS 92 -10.957 5.473 -3.326 633 HB3 LYS 92 HB3 LYS 92 -10.584 4.639 -1.824 634 HG2 LYS 92 HG2 LYS 92 -8.142 5.624 -2.787 635 HG3 LYS 92 HG3 LYS 92 -9.319 6.924 -2.994 636 HD2 LYS 92 HD2 LYS 92 -10.005 6.237 -0.545 637 HD3 LYS 92 HD3 LYS 92 -8.360 5.599 -0.502 638 HE2 LYS 92 HE2 LYS 92 -8.352 7.852 0.344 639 HE3 LYS 92 HE3 LYS 92 -7.528 7.820 -1.214 640 HZ1 LYS 92 HZ1 LYS 92 -10.207 8.323 -1.730 641 HZ2 LYS 92 HZ2 LYS 92 -8.907 9.393 -1.891 642 HZ3 LYS 92 HZ3 LYS 92 -9.778 9.333 -0.442 643 H PHE 93 H PHE 93 -8.840 1.409 -3.234 644 HA PHE 93 HA PHE 93 -11.091 -0.133 -3.580 645 HB2 PHE 93 HB2 PHE 93 -8.977 -1.219 -3.435 646 HB3 PHE 93 HB3 PHE 93 -8.676 -0.571 -1.826 647 HD1 PHE 93 HD1 PHE 93 -10.397 -3.131 -3.767 648 HD2 PHE 93 HD2 PHE 93 -9.761 -1.528 0.125 649 HE1 PHE 93 HE1 PHE 93 -11.347 -5.172 -2.774 650 HE2 PHE 93 HE2 PHE 93 -10.710 -3.566 1.123 651 HZ PHE 93 HZ PHE 93 -11.504 -5.392 -0.327 652 HC11 PGM 101 H11 PPG 103 9.891 -2.146 -21.654 653 HC12 PGM 101 H12 PPG 103 9.213 -0.675 -21.904 654 HO1 PGM 101 H1 PPG 103 11.575 -1.668 -23.040 655 HC2 PGM 101 H2A PPG 103 11.841 -0.779 -20.641 656 HO2 PGM 101 H2 PPG 103 10.621 1.155 -21.525 657 HC31 PGM 101 H31 PPG 103 9.172 -1.070 -19.450 658 HC32 PGM 101 H32 PPG 103 10.459 -0.603 -18.547 659 HC71 PGM 101 H91 PPG 103 8.973 -5.443 -18.972 660 HC72 PGM 101 H92 PPG 103 9.271 -4.232 -20.014 661 HC8 PGM 101 H10A PPG 103 7.686 -5.728 -20.963 662 HO8 PGM 101 H10 PPG 103 5.814 -4.073 -21.010 663 HC91 PGM 101 H111 PPG 103 6.251 -5.062 -18.500 664 HC92 PGM 101 H112 PPG 103 6.532 -6.566 -19.057 665 HCB1 PGM 101 H151 PPG 103 2.168 -5.858 -19.648 666 HCB2 PGM 101 H152 PPG 103 2.665 -4.959 -20.915 667 HCC1 PGM 101 H161 PPG 103 2.239 -2.964 -19.496 668 HCC2 PGM 101 H162 PPG 103 1.472 -3.971 -18.468 669 HCD1 PGM 101 H171 PPG 103 0.327 -4.749 -20.634 670 HCD2 PGM 101 H172 PPG 103 0.694 -3.236 -21.106 671 HCE1 PGM 101 H181 PPG 103 -0.784 -2.305 -19.721 672 HCE2 PGM 101 H182 PPG 103 -0.648 -3.499 -18.623 673 HCF1 PGM 101 H191 PPG 103 -1.864 -4.836 -20.366 674 HCF2 PGM 101 H192 PPG 103 -2.334 -3.367 -20.892 675 HCG1 PGM 101 H201 PPG 103 -2.872 -4.032 -18.185 676 HCG2 PGM 101 H202 PPG 103 -3.821 -4.675 -19.340 677 HCH1 PGM 101 H211 PPG 103 -4.257 -2.353 -20.079 678 HCH2 PGM 101 H212 PPG 103 -3.586 -1.887 -18.663 679 HCI1 PGM 101 H221 PPG 103 -5.722 -3.847 -18.761 680 HCI2 PGM 101 H222 PPG 103 -6.032 -2.254 -18.545 681 HCJ1 PGM 101 H231 PPG 103 -4.363 -2.541 -16.638 682 HCJ2 PGM 101 H232 PPG 103 -4.874 -4.094 -16.712 683 HCK1 PGM 101 H241 PPG 103 -6.979 -3.556 -16.046 684 HCK2 PGM 101 H242 PPG 103 -6.808 -1.987 -16.460 685 HCL1 PGM 101 H251 PPG 103 -6.608 -1.930 -14.153 686 HCL2 PGM 101 H252 PPG 103 -5.047 -1.918 -14.641 687 HCM1 PGM 101 H261 PPG 103 -5.264 -4.458 -14.624 688 HCM2 PGM 101 H262 PPG 103 -6.554 -4.202 -13.660 689 HCN1 PGM 101 H271 PPG 103 -4.949 -2.634 -12.436 690 HCN2 PGM 101 H272 PPG 103 -3.802 -3.572 -13.111 691 HCO1 PGM 101 H281 PPG 103 -5.992 -4.891 -11.861 692 HCO2 PGM 101 H282 PPG 103 -4.880 -4.219 -10.863 693 HCP1 PGM 101 H291 PPG 103 -4.503 -6.526 -11.064 694 HCP2 PGM 101 H292 PPG 103 -4.350 -6.371 -12.682 695 HCP3 PGM 101 H293 PPG 103 -3.241 -5.699 -11.698 Start of MODEL 7 1 H ALA 1 H ALA 1 3.155 -0.841 1.882 2 HA ALA 1 HA ALA 1 2.896 -0.231 -0.895 3 HB1 ALA 1 HB1 ALA 1 4.428 1.034 0.469 4 HB2 ALA 1 HB2 ALA 1 5.336 -0.426 0.865 5 HB3 ALA 1 HB3 ALA 1 5.331 0.188 -0.788 6 H ILE 2 H ILE 2 2.776 -1.719 -2.435 7 HA ILE 2 HA ILE 2 3.845 -4.379 -2.031 8 HB ILE 2 HB ILE 2 2.790 -4.970 -4.109 9 HG12 ILE 2 HG12 ILE 2 2.272 -2.008 -4.450 10 HG13 ILE 2 HG13 ILE 2 3.372 -2.987 -5.414 11 HG21 ILE 2 HG21 ILE 2 0.624 -3.250 -3.201 12 HG22 ILE 2 HG22 ILE 2 0.751 -5.009 -3.201 13 HG23 ILE 2 HG23 ILE 2 1.452 -4.074 -1.880 14 HD11 ILE 2 HD11 ILE 2 0.609 -2.495 -5.813 15 HD12 ILE 2 HD12 ILE 2 1.724 -3.430 -6.812 16 HD13 ILE 2 HD13 ILE 2 0.832 -4.218 -5.511 17 H SER 3 H SER 3 4.698 -5.219 -4.425 18 HA SER 3 HA SER 3 7.096 -3.578 -4.901 19 HB2 SER 3 HB2 SER 3 7.743 -6.008 -5.939 20 HB3 SER 3 HB3 SER 3 8.091 -5.521 -4.280 21 HG SER 3 HG SER 3 6.274 -6.600 -3.596 22 H CYS 4 H CYS 4 6.893 -2.413 -6.694 23 HA CYS 4 HA CYS 4 5.097 -2.772 -8.756 24 HB2 CYS 4 HB2 CYS 4 6.521 -0.736 -8.307 25 HB3 CYS 4 HB3 CYS 4 7.851 -1.578 -9.095 26 H GLY 5 H GLY 5 8.405 -4.009 -8.477 27 HA2 GLY 5 HA2 GLY 5 8.702 -5.078 -11.029 28 HA3 GLY 5 HA3 GLY 5 9.477 -5.710 -9.584 29 H ALA 6 H ALA 6 6.840 -6.265 -8.331 30 HA ALA 6 HA ALA 6 6.470 -8.885 -9.510 31 HB1 ALA 6 HB1 ALA 6 4.916 -7.807 -7.183 32 HB2 ALA 6 HB2 ALA 6 5.346 -9.477 -7.553 33 HB3 ALA 6 HB3 ALA 6 6.585 -8.349 -7.004 34 H VAL 7 H VAL 7 4.964 -5.812 -9.636 35 HA VAL 7 HA VAL 7 2.307 -6.638 -10.211 36 HB VAL 7 HB VAL 7 3.667 -4.065 -11.021 37 HG11 VAL 7 HG11 VAL 7 1.221 -5.026 -11.802 38 HG12 VAL 7 HG12 VAL 7 0.815 -4.025 -10.407 39 HG13 VAL 7 HG13 VAL 7 1.693 -3.328 -11.769 40 HG21 VAL 7 HG21 VAL 7 3.737 -4.642 -8.559 41 HG22 VAL 7 HG22 VAL 7 2.957 -3.115 -8.973 42 HG23 VAL 7 HG23 VAL 7 1.977 -4.526 -8.574 43 H THR 8 H THR 8 4.895 -5.412 -12.340 44 HA THR 8 HA THR 8 3.479 -6.064 -14.729 45 HB THR 8 HB THR 8 5.482 -5.430 -15.921 46 HG1 THR 8 HG1 THR 8 6.813 -5.262 -13.410 47 HG21 THR 8 HG21 THR 8 4.060 -3.759 -14.315 48 HG22 THR 8 HG22 THR 8 5.302 -3.232 -15.451 49 HG23 THR 8 HG23 THR 8 5.703 -3.461 -13.750 50 H SER 9 H SER 9 6.054 -7.608 -12.870 51 HA SER 9 HA SER 9 6.766 -9.612 -14.666 52 HB2 SER 9 HB2 SER 9 6.808 -9.449 -11.663 53 HB3 SER 9 HB3 SER 9 7.313 -10.920 -12.493 54 HG SER 9 HG SER 9 9.075 -9.952 -13.152 55 H ASP 10 H ASP 10 4.153 -9.508 -12.292 56 HA ASP 10 HA ASP 10 3.293 -12.153 -12.469 57 HB2 ASP 10 HB2 ASP 10 1.921 -9.575 -11.784 58 HB3 ASP 10 HB3 ASP 10 0.984 -11.061 -11.912 59 H LEU 11 H LEU 11 2.945 -9.523 -14.690 60 HA LEU 11 HA LEU 11 0.955 -10.986 -16.262 61 HB2 LEU 11 HB2 LEU 11 2.005 -8.175 -16.367 62 HB3 LEU 11 HB3 LEU 11 1.035 -8.858 -17.670 63 HG LEU 11 HG LEU 11 0.179 -8.365 -14.822 64 HD11 LEU 11 HD11 LEU 11 0.294 -6.474 -16.545 65 HD12 LEU 11 HD12 LEU 11 -1.222 -6.707 -15.676 66 HD13 LEU 11 HD13 LEU 11 -1.058 -7.289 -17.333 67 HD21 LEU 11 HD21 LEU 11 -1.102 -10.187 -15.153 68 HD22 LEU 11 HD22 LEU 11 -0.912 -10.137 -16.906 69 HD23 LEU 11 HD23 LEU 11 -2.079 -9.076 -16.114 70 H SER 12 H SER 12 3.945 -11.554 -15.963 71 HA SER 12 HA SER 12 5.320 -10.990 -18.309 72 HB2 SER 12 HB2 SER 12 5.537 -12.998 -16.158 73 HB3 SER 12 HB3 SER 12 6.277 -13.465 -17.689 74 HG SER 12 HG SER 12 7.857 -12.344 -16.760 75 HA PRO 13 HA PRO 13 3.682 -15.122 -20.195 76 HB2 PRO 13 HB2 PRO 13 1.697 -16.407 -18.861 77 HB3 PRO 13 HB3 PRO 13 3.411 -16.711 -18.558 78 HG2 PRO 13 HG2 PRO 13 1.492 -14.997 -17.028 79 HG3 PRO 13 HG3 PRO 13 2.719 -16.122 -16.417 80 HD2 PRO 13 HD2 PRO 13 3.111 -13.444 -16.500 81 HD3 PRO 13 HD3 PRO 13 4.433 -14.610 -16.710 82 H CYS 14 H CYS 14 1.788 -12.641 -18.849 83 HA CYS 14 HA CYS 14 -0.516 -13.161 -20.560 84 HB2 CYS 14 HB2 CYS 14 0.009 -10.952 -18.560 85 HB3 CYS 14 HB3 CYS 14 -1.498 -11.182 -19.440 86 H LEU 15 H LEU 15 2.269 -11.076 -20.350 87 HA LEU 15 HA LEU 15 1.653 -8.942 -21.923 88 HB2 LEU 15 HB2 LEU 15 3.891 -9.679 -20.840 89 HB3 LEU 15 HB3 LEU 15 4.208 -10.425 -22.405 90 HG LEU 15 HG LEU 15 4.066 -8.251 -23.490 91 HD11 LEU 15 HD11 LEU 15 2.629 -6.868 -22.409 92 HD12 LEU 15 HD12 LEU 15 4.134 -6.287 -21.699 93 HD13 LEU 15 HD13 LEU 15 3.120 -7.422 -20.808 94 HD21 LEU 15 HD21 LEU 15 6.214 -7.853 -23.049 95 HD22 LEU 15 HD22 LEU 15 6.100 -9.149 -21.858 96 HD23 LEU 15 HD23 LEU 15 5.882 -7.470 -21.360 97 H THR 16 H THR 16 2.387 -12.222 -23.003 98 HA THR 16 HA THR 16 2.574 -11.793 -25.739 99 HB THR 16 HB THR 16 1.425 -14.186 -24.290 100 HG1 THR 16 HG1 THR 16 3.496 -14.959 -24.386 101 HG21 THR 16 HG21 THR 16 2.594 -14.910 -26.760 102 HG22 THR 16 HG22 THR 16 1.485 -13.577 -27.084 103 HG23 THR 16 HG23 THR 16 0.902 -15.035 -26.281 104 H TYR 17 H TYR 17 -0.334 -12.986 -24.044 105 HA TYR 17 HA TYR 17 -2.068 -12.591 -26.219 106 HB2 TYR 17 HB2 TYR 17 -2.774 -14.090 -24.524 107 HB3 TYR 17 HB3 TYR 17 -2.549 -12.887 -23.258 108 HD1 TYR 17 HD1 TYR 17 -4.417 -11.803 -22.438 109 HD2 TYR 17 HD2 TYR 17 -4.546 -13.416 -26.373 110 HE1 TYR 17 HE1 TYR 17 -6.787 -11.170 -22.614 111 HE2 TYR 17 HE2 TYR 17 -6.916 -12.786 -26.560 112 HH TYR 17 HH TYR 17 -8.832 -12.345 -24.995 113 H LEU 18 H LEU 18 -1.055 -10.488 -23.606 114 HA LEU 18 HA LEU 18 -3.021 -8.477 -24.025 115 HB2 LEU 18 HB2 LEU 18 -0.323 -8.413 -22.690 116 HB3 LEU 18 HB3 LEU 18 -1.435 -7.046 -22.708 117 HG LEU 18 HG LEU 18 -1.859 -9.718 -21.374 118 HD11 LEU 18 HD11 LEU 18 -0.354 -8.132 -20.224 119 HD12 LEU 18 HD12 LEU 18 -1.838 -8.450 -19.326 120 HD13 LEU 18 HD13 LEU 18 -1.655 -6.941 -20.220 121 HD21 LEU 18 HD21 LEU 18 -4.039 -9.359 -21.640 122 HD22 LEU 18 HD22 LEU 18 -3.766 -7.753 -22.316 123 HD23 LEU 18 HD23 LEU 18 -3.857 -7.971 -20.567 124 H THR 19 H THR 19 -0.074 -9.297 -25.599 125 HA THR 19 HA THR 19 0.099 -6.687 -26.915 126 HB THR 19 HB THR 19 2.201 -7.618 -27.927 127 HG1 THR 19 HG1 THR 19 2.871 -9.603 -27.386 128 HG21 THR 19 HG21 THR 19 1.701 -6.798 -25.235 129 HG22 THR 19 HG22 THR 19 3.139 -6.535 -26.222 130 HG23 THR 19 HG23 THR 19 2.998 -7.993 -25.240 131 H GLY 20 H GLY 20 -2.054 -8.674 -27.437 132 HA2 GLY 20 HA2 GLY 20 -3.278 -8.959 -29.420 133 HA3 GLY 20 HA3 GLY 20 -1.818 -8.632 -30.342 134 H GLY 21 H GLY 21 -0.685 -10.719 -28.208 135 HA2 GLY 21 HA2 GLY 21 -0.620 -12.890 -30.034 136 HA3 GLY 21 HA3 GLY 21 -0.045 -12.920 -28.374 137 HA PRO 22 HA PRO 22 -3.918 -15.550 -28.905 138 HB2 PRO 22 HB2 PRO 22 -2.769 -17.929 -28.281 139 HB3 PRO 22 HB3 PRO 22 -2.844 -17.302 -29.932 140 HG2 PRO 22 HG2 PRO 22 -0.576 -17.228 -27.979 141 HG3 PRO 22 HG3 PRO 22 -0.547 -17.595 -29.713 142 HD2 PRO 22 HD2 PRO 22 0.159 -15.176 -28.725 143 HD3 PRO 22 HD3 PRO 22 -0.608 -15.371 -30.314 144 H GLY 23 H GLY 23 -5.164 -16.307 -27.201 145 HA2 GLY 23 HA2 GLY 23 -4.719 -17.300 -24.808 146 HA3 GLY 23 HA3 GLY 23 -4.116 -15.671 -24.544 147 HA PRO 24 HA PRO 24 -4.588 -15.042 -22.723 148 HB2 PRO 24 HB2 PRO 24 -5.887 -15.422 -20.370 149 HB3 PRO 24 HB3 PRO 24 -5.891 -13.878 -21.230 150 HG2 PRO 24 HG2 PRO 24 -7.979 -16.023 -21.179 151 HG3 PRO 24 HG3 PRO 24 -8.179 -14.264 -21.080 152 HD2 PRO 24 HD2 PRO 24 -8.589 -15.650 -23.370 153 HD3 PRO 24 HD3 PRO 24 -7.972 -13.986 -23.359 154 H SER 25 H SER 25 -3.186 -16.627 -22.321 155 HA SER 25 HA SER 25 -3.887 -19.361 -22.496 156 HB2 SER 25 HB2 SER 25 -1.442 -19.503 -21.398 157 HB3 SER 25 HB3 SER 25 -1.694 -19.108 -23.098 158 HG SER 25 HG SER 25 -0.317 -17.677 -21.624 159 HA PRO 26 HA PRO 26 -4.858 -20.569 -18.394 160 HB2 PRO 26 HB2 PRO 26 -3.498 -22.899 -18.093 161 HB3 PRO 26 HB3 PRO 26 -4.920 -22.744 -19.131 162 HG2 PRO 26 HG2 PRO 26 -2.020 -22.713 -19.874 163 HG3 PRO 26 HG3 PRO 26 -3.372 -23.530 -20.678 164 HD2 PRO 26 HD2 PRO 26 -2.346 -21.190 -21.572 165 HD3 PRO 26 HD3 PRO 26 -4.062 -21.609 -21.748 166 H GLN 27 H GLN 27 -1.430 -20.490 -19.188 167 HA GLN 27 HA GLN 27 -0.550 -20.552 -16.460 168 HB2 GLN 27 HB2 GLN 27 0.959 -19.699 -18.936 169 HB3 GLN 27 HB3 GLN 27 1.665 -20.086 -17.373 170 HG2 GLN 27 HG2 GLN 27 1.034 -22.381 -17.580 171 HG3 GLN 27 HG3 GLN 27 0.104 -22.042 -19.039 172 HE21 GLN 27 HE21 GLN 27 1.072 -22.600 -20.841 173 HE22 GLN 27 HE22 GLN 27 2.777 -22.653 -21.115 174 H CYS 28 H CYS 28 -1.428 -18.089 -18.759 175 HA CYS 28 HA CYS 28 -0.227 -15.900 -17.387 176 HB2 CYS 28 HB2 CYS 28 -0.649 -15.315 -19.564 177 HB3 CYS 28 HB3 CYS 28 -2.152 -16.229 -19.632 178 H CYS 29 H CYS 29 -3.575 -17.096 -17.579 179 HA CYS 29 HA CYS 29 -4.822 -15.265 -15.948 180 HB2 CYS 29 HB2 CYS 29 -5.307 -18.171 -16.494 181 HB3 CYS 29 HB3 CYS 29 -6.279 -17.343 -15.282 182 H GLY 30 H GLY 30 -2.839 -18.022 -15.035 183 HA2 GLY 30 HA2 GLY 30 -3.429 -18.210 -12.330 184 HA3 GLY 30 HA3 GLY 30 -1.862 -18.581 -13.034 185 H GLY 31 H GLY 31 -1.142 -16.031 -13.946 186 HA2 GLY 31 HA2 GLY 31 -0.210 -14.888 -11.487 187 HA3 GLY 31 HA3 GLY 31 0.118 -14.289 -13.106 188 H VAL 32 H VAL 32 -2.549 -13.915 -13.957 189 HA VAL 32 HA VAL 32 -3.061 -11.323 -13.170 190 HB VAL 32 HB VAL 32 -5.085 -13.341 -14.151 191 HG11 VAL 32 HG11 VAL 32 -6.380 -11.415 -14.886 192 HG12 VAL 32 HG12 VAL 32 -6.123 -11.362 -13.141 193 HG13 VAL 32 HG13 VAL 32 -5.172 -10.326 -14.205 194 HG21 VAL 32 HG21 VAL 32 -3.697 -11.282 -15.829 195 HG22 VAL 32 HG22 VAL 32 -2.959 -12.856 -15.530 196 HG23 VAL 32 HG23 VAL 32 -4.525 -12.755 -16.334 197 H LYS 33 H LYS 33 -4.537 -14.307 -11.931 198 HA LYS 33 HA LYS 33 -6.286 -13.066 -10.105 199 HB2 LYS 33 HB2 LYS 33 -5.049 -15.824 -10.025 200 HB3 LYS 33 HB3 LYS 33 -6.393 -15.294 -9.022 201 HG2 LYS 33 HG2 LYS 33 -7.889 -15.505 -10.682 202 HG3 LYS 33 HG3 LYS 33 -6.767 -14.919 -11.912 203 HD2 LYS 33 HD2 LYS 33 -5.659 -17.073 -11.973 204 HD3 LYS 33 HD3 LYS 33 -6.684 -17.666 -10.663 205 HE2 LYS 33 HE2 LYS 33 -8.485 -16.742 -12.547 206 HE3 LYS 33 HE3 LYS 33 -7.215 -17.487 -13.516 207 HZ1 LYS 33 HZ1 LYS 33 -8.917 -19.089 -12.942 208 HZ2 LYS 33 HZ2 LYS 33 -8.695 -18.788 -11.293 209 HZ3 LYS 33 HZ3 LYS 33 -7.457 -19.505 -12.195 210 H LYS 34 H LYS 34 -2.978 -14.270 -9.770 211 HA LYS 34 HA LYS 34 -2.741 -13.872 -6.991 212 HB2 LYS 34 HB2 LYS 34 -1.152 -15.266 -8.136 213 HB3 LYS 34 HB3 LYS 34 -0.666 -13.940 -9.185 214 HG2 LYS 34 HG2 LYS 34 0.641 -12.972 -7.594 215 HG3 LYS 34 HG3 LYS 34 -0.342 -13.577 -6.259 216 HD2 LYS 34 HD2 LYS 34 1.254 -15.458 -7.960 217 HD3 LYS 34 HD3 LYS 34 2.016 -14.576 -6.635 218 HE2 LYS 34 HE2 LYS 34 -0.483 -16.209 -6.268 219 HE3 LYS 34 HE3 LYS 34 1.131 -16.902 -6.113 220 HZ1 LYS 34 HZ1 LYS 34 0.253 -16.231 -3.969 221 HZ2 LYS 34 HZ2 LYS 34 0.058 -14.641 -4.513 222 HZ3 LYS 34 HZ3 LYS 34 1.609 -15.300 -4.366 223 H LEU 35 H LEU 35 -2.123 -11.762 -9.752 224 HA LEU 35 HA LEU 35 -0.942 -9.648 -8.287 225 HB2 LEU 35 HB2 LEU 35 -0.564 -9.668 -10.604 226 HB3 LEU 35 HB3 LEU 35 -2.282 -9.820 -10.966 227 HG LEU 35 HG LEU 35 -2.669 -7.524 -10.388 228 HD11 LEU 35 HD11 LEU 35 -1.428 -6.601 -8.795 229 HD12 LEU 35 HD12 LEU 35 -0.160 -6.391 -10.002 230 HD13 LEU 35 HD13 LEU 35 -0.170 -7.824 -8.974 231 HD21 LEU 35 HD21 LEU 35 -1.205 -6.394 -12.038 232 HD22 LEU 35 HD22 LEU 35 -1.920 -7.888 -12.645 233 HD23 LEU 35 HD23 LEU 35 -0.232 -7.863 -12.131 234 H LEU 36 H LEU 36 -4.252 -10.087 -9.532 235 HA LEU 36 HA LEU 36 -5.295 -7.733 -8.381 236 HB2 LEU 36 HB2 LEU 36 -6.627 -10.288 -9.253 237 HB3 LEU 36 HB3 LEU 36 -7.511 -8.859 -8.722 238 HG LEU 36 HG LEU 36 -5.652 -8.917 -11.096 239 HD11 LEU 36 HD11 LEU 36 -8.661 -9.083 -11.023 240 HD12 LEU 36 HD12 LEU 36 -7.566 -10.395 -11.455 241 HD13 LEU 36 HD13 LEU 36 -7.659 -8.956 -12.470 242 HD21 LEU 36 HD21 LEU 36 -6.483 -6.770 -9.666 243 HD22 LEU 36 HD22 LEU 36 -7.776 -6.902 -10.859 244 HD23 LEU 36 HD23 LEU 36 -6.101 -6.735 -11.388 245 H ALA 37 H ALA 37 -4.994 -11.033 -7.202 246 HA ALA 37 HA ALA 37 -6.618 -10.767 -4.912 247 HB1 ALA 37 HB1 ALA 37 -6.112 -12.958 -5.573 248 HB2 ALA 37 HB2 ALA 37 -4.378 -12.636 -5.623 249 HB3 ALA 37 HB3 ALA 37 -5.214 -12.723 -4.072 250 H ALA 38 H ALA 38 -3.421 -9.684 -5.631 251 HA ALA 38 HA ALA 38 -2.645 -9.345 -2.866 252 HB1 ALA 38 HB1 ALA 38 -1.303 -8.357 -5.380 253 HB2 ALA 38 HB2 ALA 38 -0.606 -8.371 -3.759 254 HB3 ALA 38 HB3 ALA 38 -0.973 -9.891 -4.574 255 H ALA 39 H ALA 39 -3.803 -7.338 -5.523 256 HA ALA 39 HA ALA 39 -3.495 -4.870 -4.096 257 HB1 ALA 39 HB1 ALA 39 -4.543 -3.834 -5.969 258 HB2 ALA 39 HB2 ALA 39 -3.464 -5.084 -6.590 259 HB3 ALA 39 HB3 ALA 39 -5.203 -5.373 -6.525 260 H ASN 40 H ASN 40 -4.653 -5.874 -2.163 261 HA ASN 40 HA ASN 40 -7.568 -5.710 -2.415 262 HB2 ASN 40 HB2 ASN 40 -6.736 -7.728 -1.342 263 HB3 ASN 40 HB3 ASN 40 -5.827 -6.769 -0.178 264 HD21 ASN 40 HD21 ASN 40 -6.739 -6.580 1.724 265 HD22 ASN 40 HD22 ASN 40 -8.434 -6.640 2.057 266 H THR 41 H THR 41 -4.972 -3.800 -1.570 267 HA THR 41 HA THR 41 -6.572 -2.188 0.302 268 HB THR 41 HB THR 41 -4.079 -1.075 0.401 269 HG1 THR 41 HG1 THR 41 -3.561 -3.852 0.428 270 HG21 THR 41 HG21 THR 41 -5.669 -2.901 2.046 271 HG22 THR 41 HG22 THR 41 -4.803 -1.433 2.498 272 HG23 THR 41 HG23 THR 41 -3.939 -2.966 2.379 273 H THR 42 H THR 42 -6.069 0.221 0.151 274 HA THR 42 HA THR 42 -6.791 1.127 -2.440 275 HB THR 42 HB THR 42 -6.142 2.482 0.147 276 HG1 THR 42 HG1 THR 42 -8.304 3.423 -0.599 277 HG21 THR 42 HG21 THR 42 -6.096 3.726 -2.568 278 HG22 THR 42 HG22 THR 42 -5.095 4.070 -1.157 279 HG23 THR 42 HG23 THR 42 -6.763 4.637 -1.215 280 HA PRO 43 HA PRO 43 -2.316 2.979 -2.520 281 HB2 PRO 43 HB2 PRO 43 -0.555 2.000 -0.700 282 HB3 PRO 43 HB3 PRO 43 -1.572 3.412 -0.389 283 HG2 PRO 43 HG2 PRO 43 -1.964 0.569 0.466 284 HG3 PRO 43 HG3 PRO 43 -2.198 2.060 1.397 285 HD2 PRO 43 HD2 PRO 43 -4.257 0.702 0.281 286 HD3 PRO 43 HD3 PRO 43 -4.266 2.468 0.465 287 H ASP 44 H ASP 44 -3.199 -0.277 -2.147 288 HA ASP 44 HA ASP 44 -0.777 -1.357 -3.329 289 HB2 ASP 44 HB2 ASP 44 -3.258 -2.489 -2.136 290 HB3 ASP 44 HB3 ASP 44 -2.410 -3.470 -3.328 291 H ARG 45 H ARG 45 -4.114 -0.690 -4.235 292 HA ARG 45 HA ARG 45 -3.897 -1.902 -6.823 293 HB2 ARG 45 HB2 ARG 45 -5.947 0.111 -5.890 294 HB3 ARG 45 HB3 ARG 45 -6.097 -1.014 -7.233 295 HG2 ARG 45 HG2 ARG 45 -5.531 -2.514 -4.893 296 HG3 ARG 45 HG3 ARG 45 -6.834 -1.382 -4.525 297 HD2 ARG 45 HD2 ARG 45 -6.743 -3.429 -6.733 298 HD3 ARG 45 HD3 ARG 45 -7.817 -3.405 -5.335 299 HE ARG 45 HE ARG 45 -8.337 -1.062 -6.631 300 HH11 ARG 45 HH11 ARG 45 -8.347 -4.425 -7.532 301 HH12 ARG 45 HH12 ARG 45 -9.594 -4.237 -8.720 302 HH21 ARG 45 HH21 ARG 45 -9.980 -0.802 -8.192 303 HH22 ARG 45 HH22 ARG 45 -10.521 -2.177 -9.095 304 H GLN 46 H GLN 46 -3.794 1.414 -5.579 305 HA GLN 46 HA GLN 46 -3.681 2.795 -7.981 306 HB2 GLN 46 HB2 GLN 46 -2.231 3.471 -5.416 307 HB3 GLN 46 HB3 GLN 46 -2.578 4.590 -6.727 308 HG2 GLN 46 HG2 GLN 46 -4.852 4.631 -6.260 309 HG3 GLN 46 HG3 GLN 46 -4.786 3.131 -5.336 310 HE21 GLN 46 HE21 GLN 46 -5.977 5.527 -4.455 311 HE22 GLN 46 HE22 GLN 46 -5.102 6.082 -3.072 312 H ALA 47 H ALA 47 -0.969 1.558 -6.033 313 HA ALA 47 HA ALA 47 1.067 2.363 -7.802 314 HB1 ALA 47 HB1 ALA 47 0.875 0.465 -5.524 315 HB2 ALA 47 HB2 ALA 47 2.277 0.350 -6.589 316 HB3 ALA 47 HB3 ALA 47 1.928 1.862 -5.750 317 H ALA 48 H ALA 48 -0.179 -0.939 -7.250 318 HA ALA 48 HA ALA 48 1.094 -2.242 -9.295 319 HB1 ALA 48 HB1 ALA 48 -1.158 -3.622 -9.345 320 HB2 ALA 48 HB2 ALA 48 -0.060 -3.693 -7.966 321 HB3 ALA 48 HB3 ALA 48 -1.494 -2.669 -7.900 322 H CYS 49 H CYS 49 -1.860 -0.314 -9.475 323 HA CYS 49 HA CYS 49 -2.512 -0.935 -12.150 324 HB2 CYS 49 HB2 CYS 49 -4.052 0.121 -10.471 325 HB3 CYS 49 HB3 CYS 49 -3.154 1.622 -10.671 326 H ASN 50 H ASN 50 -1.184 2.128 -10.888 327 HA ASN 50 HA ASN 50 -0.508 3.290 -13.286 328 HB2 ASN 50 HB2 ASN 50 0.995 3.490 -10.666 329 HB3 ASN 50 HB3 ASN 50 1.160 4.606 -12.019 330 HD21 ASN 50 HD21 ASN 50 0.129 4.771 -9.156 331 HD22 ASN 50 HD22 ASN 50 -1.379 5.600 -9.314 332 H CYS 51 H CYS 51 1.439 1.072 -11.323 333 HA CYS 51 HA CYS 51 3.816 1.130 -12.719 334 HB2 CYS 51 HB2 CYS 51 2.406 -0.962 -11.122 335 HB3 CYS 51 HB3 CYS 51 3.824 -1.437 -12.052 336 H LEU 52 H LEU 52 0.904 -0.757 -13.423 337 HA LEU 52 HA LEU 52 2.055 -2.058 -15.702 338 HB2 LEU 52 HB2 LEU 52 -0.721 -1.851 -14.588 339 HB3 LEU 52 HB3 LEU 52 -0.413 -2.620 -16.143 340 HG LEU 52 HG LEU 52 0.688 -3.500 -13.474 341 HD11 LEU 52 HD11 LEU 52 -0.736 -5.494 -13.898 342 HD12 LEU 52 HD12 LEU 52 -1.454 -4.637 -15.261 343 HD13 LEU 52 HD13 LEU 52 -1.647 -4.009 -13.625 344 HD21 LEU 52 HD21 LEU 52 2.284 -3.970 -15.213 345 HD22 LEU 52 HD22 LEU 52 1.023 -4.646 -16.244 346 HD23 LEU 52 HD23 LEU 52 1.479 -5.470 -14.752 347 H LYS 53 H LYS 53 -0.503 0.401 -15.339 348 HA LYS 53 HA LYS 53 -0.986 0.971 -17.976 349 HB2 LYS 53 HB2 LYS 53 -1.432 2.266 -15.451 350 HB3 LYS 53 HB3 LYS 53 -0.968 3.467 -16.649 351 HG2 LYS 53 HG2 LYS 53 -2.864 3.200 -17.858 352 HG3 LYS 53 HG3 LYS 53 -3.010 1.486 -17.459 353 HD2 LYS 53 HD2 LYS 53 -3.718 2.108 -15.179 354 HD3 LYS 53 HD3 LYS 53 -3.631 3.811 -15.635 355 HE2 LYS 53 HE2 LYS 53 -5.415 3.593 -17.164 356 HE3 LYS 53 HE3 LYS 53 -5.337 1.833 -17.124 357 HZ1 LYS 53 HZ1 LYS 53 -5.986 2.006 -14.727 358 HZ2 LYS 53 HZ2 LYS 53 -7.184 2.473 -15.826 359 HZ3 LYS 53 HZ3 LYS 53 -6.301 3.648 -14.989 360 H SER 54 H SER 54 1.358 2.705 -15.916 361 HA SER 54 HA SER 54 2.469 4.313 -17.881 362 HB2 SER 54 HB2 SER 54 2.874 4.400 -15.367 363 HB3 SER 54 HB3 SER 54 4.063 3.120 -15.610 364 HG SER 54 HG SER 54 4.091 5.652 -16.895 365 H ALA 55 H ALA 55 3.425 1.051 -16.869 366 HA ALA 55 HA ALA 55 5.654 0.813 -18.576 367 HB1 ALA 55 HB1 ALA 55 5.565 -1.548 -18.109 368 HB2 ALA 55 HB2 ALA 55 5.211 -0.652 -16.631 369 HB3 ALA 55 HB3 ALA 55 3.902 -1.410 -17.538 370 H ALA 56 H ALA 56 2.243 0.478 -19.121 371 HA ALA 56 HA ALA 56 2.478 -0.989 -21.578 372 HB1 ALA 56 HB1 ALA 56 0.223 -1.109 -21.548 373 HB2 ALA 56 HB2 ALA 56 0.445 -0.638 -19.862 374 HB3 ALA 56 HB3 ALA 56 0.029 0.578 -21.070 375 H GLY 57 H GLY 57 2.360 2.380 -20.646 376 HA2 GLY 57 HA2 GLY 57 1.698 3.521 -23.123 377 HA3 GLY 57 HA3 GLY 57 2.620 4.314 -21.854 378 H SER 58 H SER 58 4.642 2.072 -22.022 379 HA SER 58 HA SER 58 6.229 3.299 -24.126 380 HB2 SER 58 HB2 SER 58 7.118 1.103 -22.257 381 HB3 SER 58 HB3 SER 58 8.119 2.273 -23.116 382 HG SER 58 HG SER 58 7.945 2.985 -21.030 383 H ILE 59 H ILE 59 4.008 0.956 -24.122 384 HA ILE 59 HA ILE 59 5.481 -0.811 -25.955 385 HB ILE 59 HB ILE 59 2.752 -1.404 -24.849 386 HG12 ILE 59 HG12 ILE 59 5.416 -2.023 -23.554 387 HG13 ILE 59 HG13 ILE 59 4.186 -0.932 -22.924 388 HG21 ILE 59 HG21 ILE 59 4.482 -3.653 -25.140 389 HG22 ILE 59 HG22 ILE 59 2.984 -3.289 -25.995 390 HG23 ILE 59 HG23 ILE 59 4.523 -2.699 -26.623 391 HD11 ILE 59 HD11 ILE 59 2.793 -3.260 -23.238 392 HD12 ILE 59 HD12 ILE 59 4.389 -3.830 -22.751 393 HD13 ILE 59 HD13 ILE 59 3.513 -2.686 -21.734 394 H THR 60 H THR 60 4.928 -0.975 -28.052 395 HA THR 60 HA THR 60 2.804 0.798 -29.019 396 HB THR 60 HB THR 60 5.175 0.931 -29.943 397 HG1 THR 60 HG1 THR 60 3.000 0.457 -31.727 398 HG21 THR 60 HG21 THR 60 5.382 -1.593 -30.113 399 HG22 THR 60 HG22 THR 60 5.907 -0.675 -31.524 400 HG23 THR 60 HG23 THR 60 4.342 -1.488 -31.533 401 H LYS 61 H LYS 61 3.741 -2.553 -28.859 402 HA LYS 61 HA LYS 61 1.625 -3.381 -30.678 403 HB2 LYS 61 HB2 LYS 61 3.770 -4.873 -29.176 404 HB3 LYS 61 HB3 LYS 61 2.488 -5.703 -30.048 405 HG2 LYS 61 HG2 LYS 61 3.215 -4.801 -32.129 406 HG3 LYS 61 HG3 LYS 61 4.354 -3.718 -31.324 407 HD2 LYS 61 HD2 LYS 61 5.813 -5.445 -30.793 408 HD3 LYS 61 HD3 LYS 61 4.565 -6.682 -30.954 409 HE2 LYS 61 HE2 LYS 61 5.761 -5.086 -33.218 410 HE3 LYS 61 HE3 LYS 61 6.179 -6.748 -32.805 411 HZ1 LYS 61 HZ1 LYS 61 4.614 -7.198 -34.336 412 HZ2 LYS 61 HZ2 LYS 61 3.830 -5.710 -34.160 413 HZ3 LYS 61 HZ3 LYS 61 3.542 -6.954 -33.050 414 H LEU 62 H LEU 62 1.444 -2.233 -27.754 415 HA LEU 62 HA LEU 62 0.206 -4.235 -26.195 416 HB2 LEU 62 HB2 LEU 62 1.065 -2.287 -25.126 417 HB3 LEU 62 HB3 LEU 62 0.058 -1.231 -26.115 418 HG LEU 62 HG LEU 62 -1.926 -2.391 -24.946 419 HD11 LEU 62 HD11 LEU 62 0.380 -3.497 -23.499 420 HD12 LEU 62 HD12 LEU 62 -1.259 -4.122 -23.678 421 HD13 LEU 62 HD13 LEU 62 -0.919 -2.869 -22.484 422 HD21 LEU 62 HD21 LEU 62 -1.311 -0.913 -22.812 423 HD22 LEU 62 HD22 LEU 62 -1.796 -0.207 -24.354 424 HD23 LEU 62 HD23 LEU 62 -0.087 -0.308 -23.928 425 H ASN 63 H ASN 63 -1.765 -5.091 -26.290 426 HA ASN 63 HA ASN 63 -3.732 -3.845 -28.083 427 HB2 ASN 63 HB2 ASN 63 -3.396 -6.693 -27.136 428 HB3 ASN 63 HB3 ASN 63 -4.820 -6.134 -28.009 429 HD21 ASN 63 HD21 ASN 63 -4.758 -6.654 -30.059 430 HD22 ASN 63 HD22 ASN 63 -3.352 -6.702 -31.063 431 H THR 64 H THR 64 -4.672 -2.377 -26.682 432 HA THR 64 HA THR 64 -5.399 -2.737 -24.047 433 HB THR 64 HB THR 64 -7.004 -0.949 -24.324 434 HG1 THR 64 HG1 THR 64 -8.094 -0.859 -26.125 435 HG21 THR 64 HG21 THR 64 -5.142 0.107 -26.284 436 HG22 THR 64 HG22 THR 64 -4.318 -0.778 -25.000 437 HG23 THR 64 HG23 THR 64 -5.385 0.567 -24.599 438 H ASN 65 H ASN 65 -6.892 -4.005 -26.912 439 HA ASN 65 HA ASN 65 -9.443 -4.588 -25.866 440 HB2 ASN 65 HB2 ASN 65 -7.838 -5.490 -28.202 441 HB3 ASN 65 HB3 ASN 65 -9.193 -6.506 -27.718 442 HD21 ASN 65 HD21 ASN 65 -8.224 -3.420 -28.971 443 HD22 ASN 65 HD22 ASN 65 -9.792 -2.909 -29.489 444 H ASN 66 H ASN 66 -6.466 -6.510 -26.041 445 HA ASN 66 HA ASN 66 -7.633 -8.784 -24.747 446 HB2 ASN 66 HB2 ASN 66 -4.757 -8.055 -25.332 447 HB3 ASN 66 HB3 ASN 66 -5.262 -9.593 -24.638 448 HD21 ASN 66 HD21 ASN 66 -4.126 -8.485 -27.324 449 HD22 ASN 66 HD22 ASN 66 -5.033 -9.368 -28.500 450 H ALA 67 H ALA 67 -6.299 -5.828 -23.687 451 HA ALA 67 HA ALA 67 -5.388 -6.715 -21.120 452 HB1 ALA 67 HB1 ALA 67 -5.484 -4.187 -20.643 453 HB2 ALA 67 HB2 ALA 67 -4.339 -4.772 -21.851 454 HB3 ALA 67 HB3 ALA 67 -5.855 -4.029 -22.360 455 H ALA 68 H ALA 68 -8.346 -5.251 -22.376 456 HA ALA 68 HA ALA 68 -9.572 -4.976 -19.801 457 HB1 ALA 68 HB1 ALA 68 -10.291 -4.408 -22.585 458 HB2 ALA 68 HB2 ALA 68 -11.646 -4.869 -21.554 459 HB3 ALA 68 HB3 ALA 68 -10.630 -3.497 -21.113 460 H ALA 69 H ALA 69 -9.654 -7.357 -22.394 461 HA ALA 69 HA ALA 69 -11.693 -8.933 -21.062 462 HB1 ALA 69 HB1 ALA 69 -11.827 -10.190 -22.984 463 HB2 ALA 69 HB2 ALA 69 -11.305 -8.632 -23.625 464 HB3 ALA 69 HB3 ALA 69 -10.133 -9.931 -23.401 465 H LEU 70 H LEU 70 -8.363 -8.582 -20.839 466 HA LEU 70 HA LEU 70 -7.395 -11.163 -20.519 467 HB2 LEU 70 HB2 LEU 70 -5.707 -9.638 -20.491 468 HB3 LEU 70 HB3 LEU 70 -6.622 -8.483 -19.524 469 HG LEU 70 HG LEU 70 -6.160 -9.804 -17.513 470 HD11 LEU 70 HD11 LEU 70 -5.334 -11.761 -19.465 471 HD12 LEU 70 HD12 LEU 70 -5.671 -11.956 -17.745 472 HD13 LEU 70 HD13 LEU 70 -4.064 -11.464 -18.278 473 HD21 LEU 70 HD21 LEU 70 -4.547 -8.043 -18.628 474 HD22 LEU 70 HD22 LEU 70 -3.491 -9.447 -18.780 475 HD23 LEU 70 HD23 LEU 70 -4.066 -8.944 -17.190 476 HA PRO 71 HA PRO 71 -8.480 -10.924 -15.819 477 HB2 PRO 71 HB2 PRO 71 -10.057 -8.870 -15.005 478 HB3 PRO 71 HB3 PRO 71 -8.293 -8.768 -15.049 479 HG2 PRO 71 HG2 PRO 71 -10.300 -7.750 -17.023 480 HG3 PRO 71 HG3 PRO 71 -8.839 -6.959 -16.405 481 HD2 PRO 71 HD2 PRO 71 -8.925 -8.172 -18.823 482 HD3 PRO 71 HD3 PRO 71 -7.453 -8.121 -17.833 483 H GLY 72 H GLY 72 -10.844 -9.906 -18.199 484 HA2 GLY 72 HA2 GLY 72 -13.136 -10.908 -16.828 485 HA3 GLY 72 HA3 GLY 72 -13.047 -10.486 -18.532 486 H LYS 73 H LYS 73 -11.273 -12.179 -19.588 487 HA LYS 73 HA LYS 73 -12.704 -14.577 -19.840 488 HB2 LYS 73 HB2 LYS 73 -10.031 -13.605 -20.733 489 HB3 LYS 73 HB3 LYS 73 -10.354 -15.331 -20.828 490 HG2 LYS 73 HG2 LYS 73 -11.156 -14.830 -22.855 491 HG3 LYS 73 HG3 LYS 73 -12.597 -14.332 -21.966 492 HD2 LYS 73 HD2 LYS 73 -12.069 -12.075 -22.127 493 HD3 LYS 73 HD3 LYS 73 -10.361 -12.396 -22.434 494 HE2 LYS 73 HE2 LYS 73 -11.666 -11.600 -24.422 495 HE3 LYS 73 HE3 LYS 73 -10.813 -13.126 -24.652 496 HZ1 LYS 73 HZ1 LYS 73 -12.719 -14.237 -24.918 497 HZ2 LYS 73 HZ2 LYS 73 -13.406 -12.722 -25.224 498 HZ3 LYS 73 HZ3 LYS 73 -13.516 -13.405 -23.679 499 H CYS 74 H CYS 74 -10.314 -13.584 -17.569 500 HA CYS 74 HA CYS 74 -9.662 -16.293 -16.751 501 HB2 CYS 74 HB2 CYS 74 -8.817 -13.590 -15.695 502 HB3 CYS 74 HB3 CYS 74 -8.281 -15.119 -15.007 503 H GLY 75 H GLY 75 -12.335 -14.602 -16.392 504 HA2 GLY 75 HA2 GLY 75 -14.084 -14.658 -14.906 505 HA3 GLY 75 HA3 GLY 75 -13.291 -16.048 -14.180 506 H VAL 76 H VAL 76 -13.155 -12.499 -14.279 507 HA VAL 76 HA VAL 76 -12.570 -12.534 -11.399 508 HB VAL 76 HB VAL 76 -11.252 -10.593 -13.294 509 HG11 VAL 76 HG11 VAL 76 -11.386 -10.920 -10.401 510 HG12 VAL 76 HG12 VAL 76 -9.736 -10.797 -11.013 511 HG13 VAL 76 HG13 VAL 76 -10.904 -9.523 -11.362 512 HG21 VAL 76 HG21 VAL 76 -9.215 -11.885 -13.082 513 HG22 VAL 76 HG22 VAL 76 -10.038 -13.066 -12.063 514 HG23 VAL 76 HG23 VAL 76 -10.494 -12.895 -13.757 515 H ASN 77 H ASN 77 -13.262 -10.675 -10.244 516 HA ASN 77 HA ASN 77 -15.628 -9.463 -11.381 517 HB2 ASN 77 HB2 ASN 77 -14.384 -9.051 -8.653 518 HB3 ASN 77 HB3 ASN 77 -16.004 -8.566 -9.145 519 HD21 ASN 77 HD21 ASN 77 -14.314 -10.825 -7.504 520 HD22 ASN 77 HD22 ASN 77 -15.418 -12.150 -7.597 521 H ILE 78 H ILE 78 -15.271 -7.841 -12.771 522 HA ILE 78 HA ILE 78 -13.915 -5.469 -11.787 523 HB ILE 78 HB ILE 78 -13.066 -6.793 -14.366 524 HG12 ILE 78 HG12 ILE 78 -11.617 -6.326 -11.754 525 HG13 ILE 78 HG13 ILE 78 -12.044 -7.879 -12.463 526 HG21 ILE 78 HG21 ILE 78 -13.188 -4.351 -14.544 527 HG22 ILE 78 HG22 ILE 78 -12.142 -4.202 -13.133 528 HG23 ILE 78 HG23 ILE 78 -11.524 -4.930 -14.615 529 HD11 ILE 78 HD11 ILE 78 -10.566 -6.923 -14.453 530 HD12 ILE 78 HD12 ILE 78 -9.833 -6.035 -13.117 531 HD13 ILE 78 HD13 ILE 78 -9.876 -7.797 -13.086 532 HA PRO 79 HA PRO 79 -17.750 -4.500 -14.123 533 HB2 PRO 79 HB2 PRO 79 -18.480 -2.464 -12.481 534 HB3 PRO 79 HB3 PRO 79 -18.862 -4.156 -12.142 535 HG2 PRO 79 HG2 PRO 79 -16.655 -2.457 -11.045 536 HG3 PRO 79 HG3 PRO 79 -17.710 -3.604 -10.199 537 HD2 PRO 79 HD2 PRO 79 -15.181 -4.224 -10.941 538 HD3 PRO 79 HD3 PRO 79 -16.482 -5.431 -10.883 539 H TYR 80 H TYR 80 -14.807 -2.993 -13.541 540 HA TYR 80 HA TYR 80 -15.372 -0.403 -14.601 541 HB2 TYR 80 HB2 TYR 80 -12.845 -1.928 -14.028 542 HB3 TYR 80 HB3 TYR 80 -12.797 -0.380 -14.864 543 HD1 TYR 80 HD1 TYR 80 -14.486 -1.817 -11.846 544 HD2 TYR 80 HD2 TYR 80 -12.327 1.437 -13.535 545 HE1 TYR 80 HE1 TYR 80 -14.556 -0.653 -9.680 546 HE2 TYR 80 HE2 TYR 80 -12.389 2.609 -11.374 547 HH TYR 80 HH TYR 80 -12.679 2.153 -9.040 548 H LYS 81 H LYS 81 -14.898 0.428 -16.636 549 HA LYS 81 HA LYS 81 -15.196 -1.432 -18.804 550 HB2 LYS 81 HB2 LYS 81 -14.946 1.564 -18.640 551 HB3 LYS 81 HB3 LYS 81 -14.965 0.725 -20.186 552 HG2 LYS 81 HG2 LYS 81 -17.167 0.128 -19.995 553 HG3 LYS 81 HG3 LYS 81 -17.138 0.169 -18.231 554 HD2 LYS 81 HD2 LYS 81 -16.768 2.688 -19.805 555 HD3 LYS 81 HD3 LYS 81 -18.387 2.038 -19.535 556 HE2 LYS 81 HE2 LYS 81 -16.528 2.342 -17.221 557 HE3 LYS 81 HE3 LYS 81 -17.337 3.769 -17.866 558 HZ1 LYS 81 HZ1 LYS 81 -19.227 1.718 -17.589 559 HZ2 LYS 81 HZ2 LYS 81 -19.155 3.196 -16.770 560 HZ3 LYS 81 HZ3 LYS 81 -18.371 1.838 -16.134 561 H ILE 82 H ILE 82 -12.571 -0.465 -17.058 562 HA ILE 82 HA ILE 82 -10.319 -0.611 -17.350 563 HB ILE 82 HB ILE 82 -11.260 -2.335 -19.626 564 HG12 ILE 82 HG12 ILE 82 -11.474 -3.087 -17.231 565 HG13 ILE 82 HG13 ILE 82 -10.512 -4.149 -18.252 566 HG21 ILE 82 HG21 ILE 82 -9.268 -1.719 -20.567 567 HG22 ILE 82 HG22 ILE 82 -8.509 -1.389 -19.011 568 HG23 ILE 82 HG23 ILE 82 -8.728 -3.054 -19.549 569 HD11 ILE 82 HD11 ILE 82 -9.797 -3.028 -15.800 570 HD12 ILE 82 HD12 ILE 82 -8.773 -3.945 -16.905 571 HD13 ILE 82 HD13 ILE 82 -8.832 -2.186 -17.013 572 H SER 83 H SER 83 -9.661 1.440 -17.735 573 HA SER 83 HA SER 83 -9.351 2.213 -20.556 574 HB2 SER 83 HB2 SER 83 -10.762 3.647 -18.412 575 HB3 SER 83 HB3 SER 83 -9.597 4.635 -19.293 576 HG SER 83 HG SER 83 -10.847 4.584 -20.986 577 H THR 84 H THR 84 -7.249 2.253 -20.963 578 HA THR 84 HA THR 84 -5.215 2.347 -19.044 579 HB THR 84 HB THR 84 -3.693 2.874 -20.968 580 HG1 THR 84 HG1 THR 84 -4.695 2.875 -23.056 581 HG21 THR 84 HG21 THR 84 -5.230 0.548 -20.473 582 HG22 THR 84 HG22 THR 84 -3.646 0.664 -21.241 583 HG23 THR 84 HG23 THR 84 -5.109 0.735 -22.222 584 H THR 85 H THR 85 -7.125 4.850 -20.361 585 HA THR 85 HA THR 85 -5.190 6.942 -19.762 586 HB THR 85 HB THR 85 -6.808 8.500 -20.668 587 HG1 THR 85 HG1 THR 85 -8.532 6.322 -20.335 588 HG21 THR 85 HG21 THR 85 -6.846 7.772 -22.927 589 HG22 THR 85 HG22 THR 85 -6.840 6.073 -22.453 590 HG23 THR 85 HG23 THR 85 -5.402 7.063 -22.206 591 H THR 86 H THR 86 -7.302 5.139 -18.007 592 HA THR 86 HA THR 86 -8.502 7.164 -16.376 593 HB THR 86 HB THR 86 -8.188 4.190 -15.938 594 HG1 THR 86 HG1 THR 86 -10.286 5.853 -16.891 595 HG21 THR 86 HG21 THR 86 -9.300 6.336 -14.218 596 HG22 THR 86 HG22 THR 86 -8.542 4.807 -13.773 597 HG23 THR 86 HG23 THR 86 -10.216 4.834 -14.326 598 H ASN 87 H ASN 87 -7.925 7.856 -14.339 599 HA ASN 87 HA ASN 87 -5.112 7.540 -13.672 600 HB2 ASN 87 HB2 ASN 87 -6.589 9.743 -13.668 601 HB3 ASN 87 HB3 ASN 87 -6.962 9.213 -12.031 602 HD21 ASN 87 HD21 ASN 87 -5.902 11.179 -11.382 603 HD22 ASN 87 HD22 ASN 87 -4.179 11.220 -11.256 604 H CYS 88 H CYS 88 -4.611 5.793 -12.515 605 HA CYS 88 HA CYS 88 -6.429 4.469 -10.775 606 HB2 CYS 88 HB2 CYS 88 -3.435 4.137 -10.720 607 HB3 CYS 88 HB3 CYS 88 -4.673 2.945 -10.336 608 H ASN 89 H ASN 89 -4.628 7.264 -10.402 609 HA ASN 89 HA ASN 89 -3.971 6.992 -7.621 610 HB2 ASN 89 HB2 ASN 89 -3.695 9.063 -9.707 611 HB3 ASN 89 HB3 ASN 89 -3.889 9.674 -8.066 612 HD21 ASN 89 HD21 ASN 89 -1.667 8.902 -10.283 613 HD22 ASN 89 HD22 ASN 89 -0.342 8.471 -9.262 614 H THR 90 H THR 90 -6.778 7.793 -9.383 615 HA THR 90 HA THR 90 -7.992 9.203 -7.123 616 HB THR 90 HB THR 90 -9.823 9.749 -8.602 617 HG1 THR 90 HG1 THR 90 -10.215 8.238 -10.047 618 HG21 THR 90 HG21 THR 90 -7.956 11.234 -8.797 619 HG22 THR 90 HG22 THR 90 -8.575 10.943 -10.422 620 HG23 THR 90 HG23 THR 90 -7.114 10.122 -9.875 621 H VAL 91 H VAL 91 -7.401 6.184 -7.485 622 HA VAL 91 HA VAL 91 -10.104 5.109 -7.193 623 HB VAL 91 HB VAL 91 -9.202 2.956 -7.475 624 HG11 VAL 91 HG11 VAL 91 -7.844 3.122 -9.518 625 HG12 VAL 91 HG12 VAL 91 -9.210 4.239 -9.537 626 HG13 VAL 91 HG13 VAL 91 -7.585 4.836 -9.194 627 HG21 VAL 91 HG21 VAL 91 -6.479 3.028 -7.652 628 HG22 VAL 91 HG22 VAL 91 -6.789 4.173 -6.347 629 HG23 VAL 91 HG23 VAL 91 -7.388 2.518 -6.229 630 H LYS 92 H LYS 92 -10.431 3.460 -5.445 631 HA LYS 92 HA LYS 92 -8.872 3.930 -3.026 632 HB2 LYS 92 HB2 LYS 92 -10.744 4.535 -1.673 633 HB3 LYS 92 HB3 LYS 92 -10.748 5.602 -3.072 634 HG2 LYS 92 HG2 LYS 92 -12.430 4.037 -4.110 635 HG3 LYS 92 HG3 LYS 92 -12.544 3.255 -2.532 636 HD2 LYS 92 HD2 LYS 92 -13.357 5.241 -1.512 637 HD3 LYS 92 HD3 LYS 92 -12.969 6.209 -2.936 638 HE2 LYS 92 HE2 LYS 92 -15.358 5.778 -2.819 639 HE3 LYS 92 HE3 LYS 92 -14.652 4.979 -4.223 640 HZ1 LYS 92 HZ1 LYS 92 -14.687 2.897 -3.065 641 HZ2 LYS 92 HZ2 LYS 92 -16.236 3.573 -2.994 642 HZ3 LYS 92 HZ3 LYS 92 -15.225 3.633 -1.639 643 H PHE 93 H PHE 93 -10.372 2.614 -1.193 644 HA PHE 93 HA PHE 93 -11.024 0.004 -2.353 645 HB2 PHE 93 HB2 PHE 93 -8.776 -0.361 -1.711 646 HB3 PHE 93 HB3 PHE 93 -8.975 0.538 -0.210 647 HD1 PHE 93 HD1 PHE 93 -10.726 -2.331 -1.840 648 HD2 PHE 93 HD2 PHE 93 -8.838 -0.785 1.648 649 HE1 PHE 93 HE1 PHE 93 -11.209 -4.431 -0.652 650 HE2 PHE 93 HE2 PHE 93 -9.317 -2.883 2.841 651 HZ PHE 93 HZ PHE 93 -10.503 -4.709 1.691 652 HC11 PGM 101 H11 PPG 103 9.521 -3.943 -22.351 653 HC12 PGM 101 H12 PPG 103 9.025 -3.184 -23.715 654 HO1 PGM 101 H1 PPG 103 11.374 -4.672 -23.361 655 HC2 PGM 101 H2A PPG 103 11.491 -2.268 -22.453 656 HO2 PGM 101 H2 PPG 103 10.568 -1.695 -24.652 657 HC31 PGM 101 H31 PPG 103 8.702 -1.574 -21.849 658 HC32 PGM 101 H32 PPG 103 9.935 -0.573 -21.439 659 HC71 PGM 101 H91 PPG 103 8.010 -4.052 -18.274 660 HC72 PGM 101 H92 PPG 103 8.532 -4.056 -19.814 661 HC8 PGM 101 H10A PPG 103 6.904 -5.762 -19.520 662 HO8 PGM 101 H10 PPG 103 5.224 -4.739 -21.064 663 HC91 PGM 101 H111 PPG 103 5.308 -3.470 -18.645 664 HC92 PGM 101 H112 PPG 103 5.488 -4.867 -17.829 665 HCB1 PGM 101 H151 PPG 103 1.966 -5.437 -20.531 666 HCB2 PGM 101 H152 PPG 103 1.535 -3.890 -20.817 667 HCC1 PGM 101 H161 PPG 103 0.874 -3.901 -18.351 668 HCC2 PGM 101 H162 PPG 103 0.824 -5.518 -18.555 669 HCD1 PGM 101 H171 PPG 103 -1.242 -5.094 -19.302 670 HCD2 PGM 101 H172 PPG 103 -0.447 -4.805 -20.691 671 HCE1 PGM 101 H181 PPG 103 -0.672 -2.574 -20.503 672 HCE2 PGM 101 H182 PPG 103 -0.829 -2.636 -18.884 673 HCF1 PGM 101 H191 PPG 103 -2.864 -3.429 -20.737 674 HCF2 PGM 101 H192 PPG 103 -2.824 -1.981 -19.991 675 HCG1 PGM 101 H201 PPG 103 -3.465 -4.503 -18.808 676 HCG2 PGM 101 H202 PPG 103 -4.398 -3.172 -18.867 677 HCH1 PGM 101 H211 PPG 103 -1.980 -3.181 -17.306 678 HCH2 PGM 101 H212 PPG 103 -3.401 -3.667 -16.659 679 HCI1 PGM 101 H221 PPG 103 -3.449 -1.201 -18.107 680 HCI2 PGM 101 H222 PPG 103 -2.739 -1.156 -16.633 681 HCJ1 PGM 101 H231 PPG 103 -5.267 -2.398 -16.696 682 HCJ2 PGM 101 H232 PPG 103 -5.290 -0.785 -16.973 683 HCK1 PGM 101 H241 PPG 103 -5.070 -0.365 -14.841 684 HCK2 PGM 101 H242 PPG 103 -3.744 -1.312 -14.744 685 HCL1 PGM 101 H251 PPG 103 -5.487 -3.210 -14.790 686 HCL2 PGM 101 H252 PPG 103 -6.465 -2.046 -14.186 687 HCM1 PGM 101 H261 PPG 103 -4.903 -1.610 -12.417 688 HCM2 PGM 101 H262 PPG 103 -3.839 -2.667 -13.055 689 HCN1 PGM 101 H271 PPG 103 -6.507 -3.551 -12.433 690 HCN2 PGM 101 H272 PPG 103 -5.380 -3.557 -11.257 691 HCO1 PGM 101 H281 PPG 103 -4.547 -4.675 -13.711 692 HCO2 PGM 101 H282 PPG 103 -5.692 -5.548 -12.930 693 HCP1 PGM 101 H291 PPG 103 -3.566 -6.452 -12.527 694 HCP2 PGM 101 H292 PPG 103 -3.063 -5.025 -11.913 695 HCP3 PGM 101 H293 PPG 103 -4.202 -5.885 -11.129 Start of MODEL 8 1 H ALA 1 H ALA 1 1.307 -0.669 -0.692 2 HA ALA 1 HA ALA 1 3.562 -0.681 -1.006 3 HB1 ALA 1 HB1 ALA 1 3.906 -2.569 1.278 4 HB2 ALA 1 HB2 ALA 1 4.854 -1.148 0.839 5 HB3 ALA 1 HB3 ALA 1 3.265 -0.954 1.577 6 H ILE 2 H ILE 2 2.097 -2.560 -2.514 7 HA ILE 2 HA ILE 2 3.243 -5.145 -2.466 8 HB ILE 2 HB ILE 2 2.213 -5.511 -4.599 9 HG12 ILE 2 HG12 ILE 2 1.848 -2.510 -4.723 10 HG13 ILE 2 HG13 ILE 2 2.938 -3.463 -5.724 11 HG21 ILE 2 HG21 ILE 2 0.850 -4.658 -2.342 12 HG22 ILE 2 HG22 ILE 2 0.086 -3.783 -3.667 13 HG23 ILE 2 HG23 ILE 2 0.172 -5.544 -3.708 14 HD11 ILE 2 HD11 ILE 2 1.326 -3.753 -7.202 15 HD12 ILE 2 HD12 ILE 2 0.326 -4.539 -5.980 16 HD13 ILE 2 HD13 ILE 2 0.239 -2.792 -6.202 17 H SER 3 H SER 3 4.181 -5.849 -4.830 18 HA SER 3 HA SER 3 6.607 -4.213 -5.157 19 HB2 SER 3 HB2 SER 3 6.465 -7.063 -6.064 20 HB3 SER 3 HB3 SER 3 7.855 -6.138 -5.495 21 HG SER 3 HG SER 3 7.381 -7.417 -3.812 22 H CYS 4 H CYS 4 6.419 -2.951 -6.890 23 HA CYS 4 HA CYS 4 4.702 -3.239 -9.029 24 HB2 CYS 4 HB2 CYS 4 6.081 -1.206 -8.425 25 HB3 CYS 4 HB3 CYS 4 7.443 -1.985 -9.225 26 H GLY 5 H GLY 5 7.800 -4.744 -8.480 27 HA2 GLY 5 HA2 GLY 5 8.303 -5.581 -11.142 28 HA3 GLY 5 HA3 GLY 5 9.008 -6.279 -9.692 29 H ALA 6 H ALA 6 6.368 -6.920 -8.555 30 HA ALA 6 HA ALA 6 6.015 -9.454 -9.916 31 HB1 ALA 6 HB1 ALA 6 4.772 -10.144 -8.026 32 HB2 ALA 6 HB2 ALA 6 6.121 -9.190 -7.407 33 HB3 ALA 6 HB3 ALA 6 4.509 -8.481 -7.501 34 H VAL 7 H VAL 7 4.590 -6.379 -9.988 35 HA VAL 7 HA VAL 7 1.905 -7.129 -10.579 36 HB VAL 7 HB VAL 7 3.331 -4.560 -11.283 37 HG11 VAL 7 HG11 VAL 7 0.927 -5.399 -12.210 38 HG12 VAL 7 HG12 VAL 7 0.444 -4.564 -10.732 39 HG13 VAL 7 HG13 VAL 7 1.366 -3.708 -11.969 40 HG21 VAL 7 HG21 VAL 7 3.246 -5.333 -8.816 41 HG22 VAL 7 HG22 VAL 7 2.743 -3.689 -9.211 42 HG23 VAL 7 HG23 VAL 7 1.531 -4.936 -8.919 43 H THR 8 H THR 8 4.624 -6.054 -12.610 44 HA THR 8 HA THR 8 3.199 -6.499 -15.053 45 HB THR 8 HB THR 8 5.301 -6.008 -16.180 46 HG1 THR 8 HG1 THR 8 7.067 -6.582 -15.176 47 HG21 THR 8 HG21 THR 8 5.755 -3.928 -14.323 48 HG22 THR 8 HG22 THR 8 4.030 -4.294 -14.274 49 HG23 THR 8 HG23 THR 8 4.799 -3.872 -15.803 50 H SER 9 H SER 9 5.770 -8.215 -13.309 51 HA SER 9 HA SER 9 6.316 -10.221 -15.127 52 HB2 SER 9 HB2 SER 9 7.307 -9.685 -12.738 53 HB3 SER 9 HB3 SER 9 6.159 -10.920 -12.221 54 HG SER 9 HG SER 9 8.097 -11.916 -12.714 55 H ASP 10 H ASP 10 3.710 -10.031 -12.751 56 HA ASP 10 HA ASP 10 2.694 -12.610 -12.978 57 HB2 ASP 10 HB2 ASP 10 1.467 -9.962 -12.285 58 HB3 ASP 10 HB3 ASP 10 0.443 -11.386 -12.449 59 H LEU 11 H LEU 11 2.460 -9.905 -15.146 60 HA LEU 11 HA LEU 11 0.432 -11.245 -16.768 61 HB2 LEU 11 HB2 LEU 11 1.661 -8.507 -16.828 62 HB3 LEU 11 HB3 LEU 11 0.681 -9.115 -18.162 63 HG LEU 11 HG LEU 11 -0.207 -8.587 -15.330 64 HD11 LEU 11 HD11 LEU 11 -1.173 -6.709 -16.096 65 HD12 LEU 11 HD12 LEU 11 -1.618 -7.440 -17.638 66 HD13 LEU 11 HD13 LEU 11 0.022 -6.844 -17.386 67 HD21 LEU 11 HD21 LEU 11 -2.459 -9.167 -16.771 68 HD22 LEU 11 HD22 LEU 11 -1.652 -10.264 -15.650 69 HD23 LEU 11 HD23 LEU 11 -1.307 -10.356 -17.378 70 H SER 12 H SER 12 3.377 -12.008 -16.440 71 HA SER 12 HA SER 12 4.810 -11.521 -18.769 72 HB2 SER 12 HB2 SER 12 6.180 -12.602 -17.312 73 HB3 SER 12 HB3 SER 12 4.867 -13.566 -16.635 74 HG SER 12 HG SER 12 6.449 -14.051 -18.905 75 HA PRO 13 HA PRO 13 2.922 -15.530 -20.691 76 HB2 PRO 13 HB2 PRO 13 0.833 -16.676 -19.389 77 HB3 PRO 13 HB3 PRO 13 2.518 -17.099 -19.062 78 HG2 PRO 13 HG2 PRO 13 0.701 -15.259 -17.555 79 HG3 PRO 13 HG3 PRO 13 1.837 -16.468 -16.930 80 HD2 PRO 13 HD2 PRO 13 2.415 -13.823 -16.999 81 HD3 PRO 13 HD3 PRO 13 3.657 -15.077 -17.194 82 H CYS 14 H CYS 14 1.124 -12.973 -19.302 83 HA CYS 14 HA CYS 14 -1.158 -13.312 -21.076 84 HB2 CYS 14 HB2 CYS 14 -0.527 -11.173 -19.031 85 HB3 CYS 14 HB3 CYS 14 -2.026 -11.279 -19.949 86 H LEU 15 H LEU 15 1.784 -11.492 -20.857 87 HA LEU 15 HA LEU 15 1.325 -9.274 -22.391 88 HB2 LEU 15 HB2 LEU 15 3.497 -10.209 -21.296 89 HB3 LEU 15 HB3 LEU 15 3.776 -10.911 -22.888 90 HG LEU 15 HG LEU 15 3.818 -8.708 -23.891 91 HD11 LEU 15 HD11 LEU 15 3.958 -6.910 -21.802 92 HD12 LEU 15 HD12 LEU 15 2.601 -7.949 -21.369 93 HD13 LEU 15 HD13 LEU 15 2.609 -7.111 -22.921 94 HD21 LEU 15 HD21 LEU 15 5.964 -9.257 -23.285 95 HD22 LEU 15 HD22 LEU 15 5.587 -9.288 -21.562 96 HD23 LEU 15 HD23 LEU 15 5.747 -7.745 -22.402 97 H THR 16 H THR 16 2.057 -12.547 -23.556 98 HA THR 16 HA THR 16 2.218 -12.090 -26.264 99 HB THR 16 HB THR 16 0.947 -14.461 -24.883 100 HG1 THR 16 HG1 THR 16 3.000 -15.335 -25.007 101 HG21 THR 16 HG21 THR 16 1.095 -13.800 -27.658 102 HG22 THR 16 HG22 THR 16 0.450 -15.258 -26.902 103 HG23 THR 16 HG23 THR 16 2.156 -15.172 -27.341 104 H TYR 17 H TYR 17 -0.750 -13.114 -24.562 105 HA TYR 17 HA TYR 17 -2.463 -12.673 -26.748 106 HB2 TYR 17 HB2 TYR 17 -3.164 -14.104 -24.942 107 HB3 TYR 17 HB3 TYR 17 -3.027 -12.788 -23.781 108 HD1 TYR 17 HD1 TYR 17 -5.033 -11.933 -23.057 109 HD2 TYR 17 HD2 TYR 17 -4.754 -13.364 -27.054 110 HE1 TYR 17 HE1 TYR 17 -7.397 -11.359 -23.421 111 HE2 TYR 17 HE2 TYR 17 -7.116 -12.793 -27.430 112 HH TYR 17 HH TYR 17 -8.919 -10.884 -25.230 113 H LEU 18 H LEU 18 -1.299 -10.568 -24.209 114 HA LEU 18 HA LEU 18 -3.154 -8.449 -24.785 115 HB2 LEU 18 HB2 LEU 18 -0.661 -8.609 -23.111 116 HB3 LEU 18 HB3 LEU 18 -1.588 -7.123 -23.304 117 HG LEU 18 HG LEU 18 -2.546 -9.685 -22.033 118 HD11 LEU 18 HD11 LEU 18 -2.596 -8.396 -19.987 119 HD12 LEU 18 HD12 LEU 18 -2.027 -6.964 -20.844 120 HD13 LEU 18 HD13 LEU 18 -0.972 -8.367 -20.677 121 HD21 LEU 18 HD21 LEU 18 -3.974 -7.072 -22.506 122 HD22 LEU 18 HD22 LEU 18 -4.568 -8.378 -21.479 123 HD23 LEU 18 HD23 LEU 18 -4.373 -8.637 -23.214 124 H THR 19 H THR 19 -0.602 -9.643 -26.462 125 HA THR 19 HA THR 19 0.039 -7.011 -27.626 126 HB THR 19 HB THR 19 2.206 -8.025 -28.361 127 HG1 THR 19 HG1 THR 19 2.825 -9.959 -27.207 128 HG21 THR 19 HG21 THR 19 2.638 -8.380 -25.570 129 HG22 THR 19 HG22 THR 19 1.447 -7.098 -25.786 130 HG23 THR 19 HG23 THR 19 3.021 -6.981 -26.572 131 H GLY 20 H GLY 20 -2.180 -8.635 -28.405 132 HA2 GLY 20 HA2 GLY 20 -3.159 -9.026 -30.479 133 HA3 GLY 20 HA3 GLY 20 -1.579 -8.850 -31.228 134 H GLY 21 H GLY 21 -0.931 -10.915 -28.853 135 HA2 GLY 21 HA2 GLY 21 -0.883 -13.180 -30.610 136 HA3 GLY 21 HA3 GLY 21 -0.364 -13.151 -28.931 137 HA PRO 22 HA PRO 22 -4.419 -15.505 -29.466 138 HB2 PRO 22 HB2 PRO 22 -3.475 -17.942 -28.733 139 HB3 PRO 22 HB3 PRO 22 -3.470 -17.374 -30.406 140 HG2 PRO 22 HG2 PRO 22 -1.239 -17.407 -28.410 141 HG3 PRO 22 HG3 PRO 22 -1.209 -17.840 -30.130 142 HD2 PRO 22 HD2 PRO 22 -0.328 -15.448 -29.214 143 HD3 PRO 22 HD3 PRO 22 -1.081 -15.641 -30.810 144 H GLY 23 H GLY 23 -5.740 -16.170 -27.761 145 HA2 GLY 23 HA2 GLY 23 -5.340 -17.069 -25.306 146 HA3 GLY 23 HA3 GLY 23 -4.746 -15.426 -25.117 147 HA PRO 24 HA PRO 24 -5.310 -14.897 -23.238 148 HB2 PRO 24 HB2 PRO 24 -6.732 -15.322 -20.964 149 HB3 PRO 24 HB3 PRO 24 -6.673 -13.756 -21.781 150 HG2 PRO 24 HG2 PRO 24 -8.786 -15.873 -21.894 151 HG3 PRO 24 HG3 PRO 24 -8.970 -14.115 -21.758 152 HD2 PRO 24 HD2 PRO 24 -9.281 -15.434 -24.102 153 HD3 PRO 24 HD3 PRO 24 -8.645 -13.779 -24.014 154 H SER 25 H SER 25 -3.965 -16.567 -23.064 155 HA SER 25 HA SER 25 -4.719 -19.262 -23.242 156 HB2 SER 25 HB2 SER 25 -2.287 -19.485 -22.124 157 HB3 SER 25 HB3 SER 25 -2.516 -19.049 -23.817 158 HG SER 25 HG SER 25 -1.220 -17.669 -22.074 159 HA PRO 26 HA PRO 26 -5.747 -20.558 -19.180 160 HB2 PRO 26 HB2 PRO 26 -4.426 -22.916 -18.922 161 HB3 PRO 26 HB3 PRO 26 -5.834 -22.714 -19.971 162 HG2 PRO 26 HG2 PRO 26 -2.926 -22.710 -20.682 163 HG3 PRO 26 HG3 PRO 26 -4.282 -23.487 -21.520 164 HD2 PRO 26 HD2 PRO 26 -3.210 -21.142 -22.346 165 HD3 PRO 26 HD3 PRO 26 -4.930 -21.530 -22.551 166 H GLN 27 H GLN 27 -2.308 -20.520 -19.935 167 HA GLN 27 HA GLN 27 -1.464 -20.654 -17.198 168 HB2 GLN 27 HB2 GLN 27 0.093 -19.787 -19.639 169 HB3 GLN 27 HB3 GLN 27 0.771 -20.217 -18.074 170 HG2 GLN 27 HG2 GLN 27 0.028 -22.498 -18.335 171 HG3 GLN 27 HG3 GLN 27 -0.773 -22.091 -19.852 172 HE21 GLN 27 HE21 GLN 27 0.433 -21.826 -21.698 173 HE22 GLN 27 HE22 GLN 27 2.102 -22.260 -21.800 174 H CYS 28 H CYS 28 -2.303 -18.137 -19.442 175 HA CYS 28 HA CYS 28 -1.059 -15.993 -18.032 176 HB2 CYS 28 HB2 CYS 28 -1.469 -15.382 -20.211 177 HB3 CYS 28 HB3 CYS 28 -3.005 -16.240 -20.275 178 H CYS 29 H CYS 29 -4.429 -17.123 -18.257 179 HA CYS 29 HA CYS 29 -5.636 -15.299 -16.581 180 HB2 CYS 29 HB2 CYS 29 -6.200 -18.185 -17.183 181 HB3 CYS 29 HB3 CYS 29 -7.173 -17.325 -15.994 182 H GLY 30 H GLY 30 -3.717 -18.122 -15.747 183 HA2 GLY 30 HA2 GLY 30 -4.336 -18.360 -13.043 184 HA3 GLY 30 HA3 GLY 30 -2.789 -18.790 -13.757 185 H GLY 31 H GLY 31 -1.969 -16.243 -14.620 186 HA2 GLY 31 HA2 GLY 31 -0.956 -15.210 -12.145 187 HA3 GLY 31 HA3 GLY 31 -0.630 -14.576 -13.751 188 H VAL 32 H VAL 32 -3.226 -14.007 -14.591 189 HA VAL 32 HA VAL 32 -3.637 -11.445 -13.689 190 HB VAL 32 HB VAL 32 -5.763 -13.324 -14.730 191 HG11 VAL 32 HG11 VAL 32 -6.972 -11.330 -15.381 192 HG12 VAL 32 HG12 VAL 32 -6.660 -11.299 -13.644 193 HG13 VAL 32 HG13 VAL 32 -5.688 -10.309 -14.734 194 HG21 VAL 32 HG21 VAL 32 -3.957 -11.404 -16.198 195 HG22 VAL 32 HG22 VAL 32 -3.847 -13.164 -16.235 196 HG23 VAL 32 HG23 VAL 32 -5.256 -12.354 -16.920 197 H LYS 33 H LYS 33 -5.204 -14.414 -12.539 198 HA LYS 33 HA LYS 33 -6.904 -13.164 -10.664 199 HB2 LYS 33 HB2 LYS 33 -5.789 -15.975 -10.655 200 HB3 LYS 33 HB3 LYS 33 -7.143 -15.412 -9.684 201 HG2 LYS 33 HG2 LYS 33 -8.584 -15.425 -11.432 202 HG3 LYS 33 HG3 LYS 33 -7.333 -15.020 -12.611 203 HD2 LYS 33 HD2 LYS 33 -6.520 -17.263 -12.628 204 HD3 LYS 33 HD3 LYS 33 -7.529 -17.701 -11.248 205 HE2 LYS 33 HE2 LYS 33 -9.445 -16.875 -12.902 206 HE3 LYS 33 HE3 LYS 33 -8.249 -17.353 -14.106 207 HZ1 LYS 33 HZ1 LYS 33 -8.149 -19.489 -12.626 208 HZ2 LYS 33 HZ2 LYS 33 -9.351 -19.309 -13.803 209 HZ3 LYS 33 HZ3 LYS 33 -9.708 -19.007 -12.177 210 H LYS 34 H LYS 34 -3.648 -14.516 -10.402 211 HA LYS 34 HA LYS 34 -3.377 -14.248 -7.612 212 HB2 LYS 34 HB2 LYS 34 -1.856 -15.649 -8.858 213 HB3 LYS 34 HB3 LYS 34 -1.305 -14.277 -9.811 214 HG2 LYS 34 HG2 LYS 34 0.006 -13.454 -8.130 215 HG3 LYS 34 HG3 LYS 34 -0.987 -14.169 -6.857 216 HD2 LYS 34 HD2 LYS 34 -0.158 -16.425 -7.711 217 HD3 LYS 34 HD3 LYS 34 1.045 -15.510 -8.623 218 HE2 LYS 34 HE2 LYS 34 1.616 -14.407 -6.378 219 HE3 LYS 34 HE3 LYS 34 0.702 -15.726 -5.648 220 HZ1 LYS 34 HZ1 LYS 34 2.184 -17.308 -6.661 221 HZ2 LYS 34 HZ2 LYS 34 3.091 -16.188 -5.775 222 HZ3 LYS 34 HZ3 LYS 34 3.026 -16.078 -7.462 223 H LEU 35 H LEU 35 -2.685 -12.046 -10.283 224 HA LEU 35 HA LEU 35 -1.416 -10.046 -8.739 225 HB2 LEU 35 HB2 LEU 35 -1.063 -9.981 -11.060 226 HB3 LEU 35 HB3 LEU 35 -2.790 -10.042 -11.407 227 HG LEU 35 HG LEU 35 -3.066 -7.759 -10.697 228 HD11 LEU 35 HD11 LEU 35 -1.725 -6.902 -9.154 229 HD12 LEU 35 HD12 LEU 35 -0.446 -6.813 -10.364 230 HD13 LEU 35 HD13 LEU 35 -0.590 -8.240 -9.337 231 HD21 LEU 35 HD21 LEU 35 -2.239 -8.273 -13.010 232 HD22 LEU 35 HD22 LEU 35 -0.614 -7.885 -12.443 233 HD23 LEU 35 HD23 LEU 35 -1.872 -6.648 -12.430 234 H LEU 36 H LEU 36 -4.750 -10.289 -9.974 235 HA LEU 36 HA LEU 36 -5.685 -7.955 -8.693 236 HB2 LEU 36 HB2 LEU 36 -7.120 -10.397 -9.711 237 HB3 LEU 36 HB3 LEU 36 -7.950 -8.977 -9.077 238 HG LEU 36 HG LEU 36 -6.097 -8.912 -11.454 239 HD11 LEU 36 HD11 LEU 36 -8.106 -10.359 -11.803 240 HD12 LEU 36 HD12 LEU 36 -8.013 -8.957 -12.869 241 HD13 LEU 36 HD13 LEU 36 -9.108 -8.942 -11.487 242 HD21 LEU 36 HD21 LEU 36 -8.198 -6.936 -10.592 243 HD22 LEU 36 HD22 LEU 36 -6.970 -6.738 -11.842 244 HD23 LEU 36 HD23 LEU 36 -6.498 -6.803 -10.144 245 H ALA 37 H ALA 37 -5.453 -11.305 -7.679 246 HA ALA 37 HA ALA 37 -7.091 -11.134 -5.388 247 HB1 ALA 37 HB1 ALA 37 -5.882 -13.173 -4.649 248 HB2 ALA 37 HB2 ALA 37 -6.506 -13.280 -6.295 249 HB3 ALA 37 HB3 ALA 37 -4.791 -12.977 -6.021 250 H ALA 38 H ALA 38 -3.844 -10.111 -6.026 251 HA ALA 38 HA ALA 38 -3.104 -9.889 -3.243 252 HB1 ALA 38 HB1 ALA 38 -1.460 -10.390 -5.044 253 HB2 ALA 38 HB2 ALA 38 -1.687 -8.746 -5.645 254 HB3 ALA 38 HB3 ALA 38 -1.019 -9.013 -4.034 255 H ALA 39 H ALA 39 -4.159 -7.738 -5.834 256 HA ALA 39 HA ALA 39 -3.832 -5.347 -4.287 257 HB1 ALA 39 HB1 ALA 39 -3.703 -5.347 -6.742 258 HB2 ALA 39 HB2 ALA 39 -5.412 -5.775 -6.819 259 HB3 ALA 39 HB3 ALA 39 -4.922 -4.224 -6.138 260 H ASN 40 H ASN 40 -5.025 -6.160 -2.385 261 HA ASN 40 HA ASN 40 -7.943 -6.037 -2.710 262 HB2 ASN 40 HB2 ASN 40 -7.122 -8.070 -1.631 263 HB3 ASN 40 HB3 ASN 40 -6.277 -7.108 -0.421 264 HD21 ASN 40 HD21 ASN 40 -9.515 -7.586 -1.778 265 HD22 ASN 40 HD22 ASN 40 -10.356 -7.413 -0.279 266 H THR 41 H THR 41 -5.320 -4.194 -1.738 267 HA THR 41 HA THR 41 -6.935 -2.577 0.112 268 HB THR 41 HB THR 41 -4.441 -1.460 0.203 269 HG1 THR 41 HG1 THR 41 -3.940 -4.244 0.193 270 HG21 THR 41 HG21 THR 41 -6.033 -3.278 1.848 271 HG22 THR 41 HG22 THR 41 -5.137 -1.829 2.305 272 HG23 THR 41 HG23 THR 41 -4.301 -3.376 2.166 273 H THR 42 H THR 42 -6.307 -0.151 -0.012 274 HA THR 42 HA THR 42 -7.107 0.785 -2.580 275 HB THR 42 HB THR 42 -6.437 2.072 0.024 276 HG1 THR 42 HG1 THR 42 -8.595 1.400 -0.640 277 HG21 THR 42 HG21 THR 42 -6.862 4.304 -1.236 278 HG22 THR 42 HG22 THR 42 -6.298 3.414 -2.651 279 HG23 THR 42 HG23 THR 42 -5.244 3.605 -1.250 280 HA PRO 43 HA PRO 43 -2.616 2.583 -2.757 281 HB2 PRO 43 HB2 PRO 43 -0.830 1.608 -0.959 282 HB3 PRO 43 HB3 PRO 43 -1.831 3.030 -0.644 283 HG2 PRO 43 HG2 PRO 43 -2.228 0.199 0.245 284 HG3 PRO 43 HG3 PRO 43 -2.435 1.700 1.166 285 HD2 PRO 43 HD2 PRO 43 -4.523 0.346 0.100 286 HD3 PRO 43 HD3 PRO 43 -4.516 2.114 0.267 287 H ASP 44 H ASP 44 -3.535 -0.653 -2.367 288 HA ASP 44 HA ASP 44 -1.135 -1.779 -3.552 289 HB2 ASP 44 HB2 ASP 44 -3.631 -2.858 -2.346 290 HB3 ASP 44 HB3 ASP 44 -2.825 -3.855 -3.554 291 H ARG 45 H ARG 45 -4.477 -1.097 -4.453 292 HA ARG 45 HA ARG 45 -4.248 -2.284 -7.052 293 HB2 ARG 45 HB2 ARG 45 -6.319 -0.290 -6.130 294 HB3 ARG 45 HB3 ARG 45 -6.458 -1.444 -7.449 295 HG2 ARG 45 HG2 ARG 45 -5.869 -2.862 -5.049 296 HG3 ARG 45 HG3 ARG 45 -7.221 -1.766 -4.757 297 HD2 ARG 45 HD2 ARG 45 -7.956 -2.763 -7.136 298 HD3 ARG 45 HD3 ARG 45 -7.032 -4.132 -6.519 299 HE ARG 45 HE ARG 45 -8.869 -3.159 -4.579 300 HH11 ARG 45 HH11 ARG 45 -8.642 -5.067 -7.482 301 HH12 ARG 45 HH12 ARG 45 -10.040 -6.024 -7.118 302 HH21 ARG 45 HH21 ARG 45 -10.710 -4.413 -4.089 303 HH22 ARG 45 HH22 ARG 45 -11.216 -5.651 -5.188 304 H GLN 46 H GLN 46 -4.117 1.005 -5.757 305 HA GLN 46 HA GLN 46 -4.036 2.420 -8.150 306 HB2 GLN 46 HB2 GLN 46 -2.643 3.048 -5.542 307 HB3 GLN 46 HB3 GLN 46 -2.880 4.189 -6.859 308 HG2 GLN 46 HG2 GLN 46 -5.218 4.213 -6.550 309 HG3 GLN 46 HG3 GLN 46 -5.164 2.806 -5.490 310 HE21 GLN 46 HE21 GLN 46 -5.846 5.880 -5.384 311 HE22 GLN 46 HE22 GLN 46 -5.222 6.330 -3.837 312 H ALA 47 H ALA 47 -1.299 1.238 -6.198 313 HA ALA 47 HA ALA 47 0.725 2.057 -7.960 314 HB1 ALA 47 HB1 ALA 47 2.014 0.133 -6.784 315 HB2 ALA 47 HB2 ALA 47 1.494 1.533 -5.846 316 HB3 ALA 47 HB3 ALA 47 0.575 0.030 -5.769 317 H ALA 48 H ALA 48 -0.821 -1.131 -7.582 318 HA ALA 48 HA ALA 48 0.551 -2.531 -9.522 319 HB1 ALA 48 HB1 ALA 48 -2.333 -2.761 -8.683 320 HB2 ALA 48 HB2 ALA 48 -1.510 -3.930 -9.717 321 HB3 ALA 48 HB3 ALA 48 -0.955 -3.672 -8.063 322 H CYS 49 H CYS 49 -2.352 -0.524 -9.921 323 HA CYS 49 HA CYS 49 -2.657 -0.997 -12.691 324 HB2 CYS 49 HB2 CYS 49 -4.413 -0.075 -11.134 325 HB3 CYS 49 HB3 CYS 49 -3.551 1.459 -11.177 326 H ASN 50 H ASN 50 -1.488 1.940 -11.031 327 HA ASN 50 HA ASN 50 -0.599 3.321 -13.246 328 HB2 ASN 50 HB2 ASN 50 0.648 3.296 -10.488 329 HB3 ASN 50 HB3 ASN 50 0.897 4.538 -11.711 330 HD21 ASN 50 HD21 ASN 50 -0.327 4.503 -8.959 331 HD22 ASN 50 HD22 ASN 50 -1.857 5.279 -9.165 332 H CYS 51 H CYS 51 0.852 0.609 -11.629 333 HA CYS 51 HA CYS 51 3.459 0.906 -12.754 334 HB2 CYS 51 HB2 CYS 51 2.015 -1.180 -11.200 335 HB3 CYS 51 HB3 CYS 51 3.416 -1.696 -12.134 336 H LEU 52 H LEU 52 0.607 -1.026 -13.583 337 HA LEU 52 HA LEU 52 1.859 -2.261 -15.846 338 HB2 LEU 52 HB2 LEU 52 -0.939 -2.151 -14.785 339 HB3 LEU 52 HB3 LEU 52 -0.603 -2.844 -16.370 340 HG LEU 52 HG LEU 52 0.632 -3.822 -13.798 341 HD11 LEU 52 HD11 LEU 52 -1.744 -4.198 -13.696 342 HD12 LEU 52 HD12 LEU 52 -0.929 -5.725 -14.033 343 HD13 LEU 52 HD13 LEU 52 -1.748 -4.858 -15.332 344 HD21 LEU 52 HD21 LEU 52 0.485 -5.112 -16.519 345 HD22 LEU 52 HD22 LEU 52 1.336 -5.714 -15.096 346 HD23 LEU 52 HD23 LEU 52 1.891 -4.245 -15.899 347 H LYS 53 H LYS 53 -0.734 0.162 -15.505 348 HA LYS 53 HA LYS 53 -1.184 0.759 -18.140 349 HB2 LYS 53 HB2 LYS 53 -1.778 1.945 -15.641 350 HB3 LYS 53 HB3 LYS 53 -1.126 3.220 -16.662 351 HG2 LYS 53 HG2 LYS 53 -2.784 2.694 -18.379 352 HG3 LYS 53 HG3 LYS 53 -3.441 1.420 -17.349 353 HD2 LYS 53 HD2 LYS 53 -4.864 3.207 -16.933 354 HD3 LYS 53 HD3 LYS 53 -3.714 3.305 -15.598 355 HE2 LYS 53 HE2 LYS 53 -3.176 4.815 -18.116 356 HE3 LYS 53 HE3 LYS 53 -4.355 5.444 -16.966 357 HZ1 LYS 53 HZ1 LYS 53 -2.392 4.957 -15.303 358 HZ2 LYS 53 HZ2 LYS 53 -2.482 6.410 -16.164 359 HZ3 LYS 53 HZ3 LYS 53 -1.458 5.173 -16.697 360 H SER 54 H SER 54 1.197 2.367 -16.028 361 HA SER 54 HA SER 54 2.308 4.056 -17.938 362 HB2 SER 54 HB2 SER 54 2.792 4.287 -15.554 363 HB3 SER 54 HB3 SER 54 3.656 2.750 -15.561 364 HG SER 54 HG SER 54 4.548 5.204 -16.222 365 H ALA 55 H ALA 55 3.314 0.780 -16.994 366 HA ALA 55 HA ALA 55 5.486 0.596 -18.782 367 HB1 ALA 55 HB1 ALA 55 5.338 -1.834 -18.389 368 HB2 ALA 55 HB2 ALA 55 5.290 -0.899 -16.893 369 HB3 ALA 55 HB3 ALA 55 3.805 -1.585 -17.553 370 H ALA 56 H ALA 56 2.077 0.293 -19.232 371 HA ALA 56 HA ALA 56 2.202 -1.232 -21.659 372 HB1 ALA 56 HB1 ALA 56 -0.223 0.272 -21.453 373 HB2 ALA 56 HB2 ALA 56 0.028 -1.466 -21.281 374 HB3 ALA 56 HB3 ALA 56 0.185 -0.409 -19.878 375 H GLY 57 H GLY 57 2.174 2.169 -20.810 376 HA2 GLY 57 HA2 GLY 57 1.503 3.277 -23.287 377 HA3 GLY 57 HA3 GLY 57 2.502 4.057 -22.070 378 H SER 58 H SER 58 4.420 1.726 -22.260 379 HA SER 58 HA SER 58 5.962 2.828 -24.471 380 HB2 SER 58 HB2 SER 58 6.744 0.824 -22.340 381 HB3 SER 58 HB3 SER 58 7.839 1.545 -23.519 382 HG SER 58 HG SER 58 7.844 3.360 -22.422 383 H ILE 59 H ILE 59 3.696 0.526 -24.236 384 HA ILE 59 HA ILE 59 5.043 -1.350 -26.056 385 HB ILE 59 HB ILE 59 2.369 -1.845 -24.783 386 HG12 ILE 59 HG12 ILE 59 5.089 -2.431 -23.595 387 HG13 ILE 59 HG13 ILE 59 3.897 -1.304 -22.956 388 HG21 ILE 59 HG21 ILE 59 4.549 -3.679 -25.770 389 HG22 ILE 59 HG22 ILE 59 3.006 -4.188 -25.086 390 HG23 ILE 59 HG23 ILE 59 3.046 -3.305 -26.613 391 HD11 ILE 59 HD11 ILE 59 3.312 -3.011 -21.645 392 HD12 ILE 59 HD12 ILE 59 2.464 -3.610 -23.071 393 HD13 ILE 59 HD13 ILE 59 4.079 -4.206 -22.691 394 H THR 60 H THR 60 4.576 -1.266 -28.145 395 HA THR 60 HA THR 60 2.366 0.381 -29.065 396 HB THR 60 HB THR 60 4.685 0.450 -30.098 397 HG1 THR 60 HG1 THR 60 3.301 1.410 -31.420 398 HG21 THR 60 HG21 THR 60 3.816 -1.977 -31.635 399 HG22 THR 60 HG22 THR 60 4.772 -2.129 -30.161 400 HG23 THR 60 HG23 THR 60 5.413 -1.236 -31.539 401 H LYS 61 H LYS 61 3.255 -2.985 -28.862 402 HA LYS 61 HA LYS 61 1.174 -3.893 -30.634 403 HB2 LYS 61 HB2 LYS 61 2.854 -5.458 -28.666 404 HB3 LYS 61 HB3 LYS 61 1.855 -6.140 -29.942 405 HG2 LYS 61 HG2 LYS 61 4.145 -4.270 -30.482 406 HG3 LYS 61 HG3 LYS 61 4.322 -6.025 -30.412 407 HD2 LYS 61 HD2 LYS 61 3.116 -6.359 -32.343 408 HD3 LYS 61 HD3 LYS 61 2.210 -4.855 -32.163 409 HE2 LYS 61 HE2 LYS 61 4.443 -3.677 -32.576 410 HE3 LYS 61 HE3 LYS 61 5.028 -5.245 -33.129 411 HZ1 LYS 61 HZ1 LYS 61 2.512 -4.439 -34.289 412 HZ2 LYS 61 HZ2 LYS 61 3.889 -5.084 -35.030 413 HZ3 LYS 61 HZ3 LYS 61 3.809 -3.428 -34.690 414 H LEU 62 H LEU 62 1.275 -2.830 -27.446 415 HA LEU 62 HA LEU 62 -0.445 -4.477 -26.054 416 HB2 LEU 62 HB2 LEU 62 0.636 -2.694 -24.924 417 HB3 LEU 62 HB3 LEU 62 -0.096 -1.491 -25.984 418 HG LEU 62 HG LEU 62 -2.331 -2.389 -24.931 419 HD11 LEU 62 HD11 LEU 62 -1.953 -4.005 -23.432 420 HD12 LEU 62 HD12 LEU 62 -1.452 -2.693 -22.367 421 HD13 LEU 62 HD13 LEU 62 -0.244 -3.598 -23.278 422 HD21 LEU 62 HD21 LEU 62 -1.657 -0.112 -24.728 423 HD22 LEU 62 HD22 LEU 62 -0.371 -0.531 -23.596 424 HD23 LEU 62 HD23 LEU 62 -2.060 -0.691 -23.111 425 H ASN 63 H ASN 63 -2.467 -5.103 -26.383 426 HA ASN 63 HA ASN 63 -4.168 -3.496 -28.160 427 HB2 ASN 63 HB2 ASN 63 -5.536 -5.652 -28.267 428 HB3 ASN 63 HB3 ASN 63 -3.955 -5.682 -29.041 429 HD21 ASN 63 HD21 ASN 63 -4.184 -8.000 -28.838 430 HD22 ASN 63 HD22 ASN 63 -3.744 -8.767 -27.354 431 H THR 64 H THR 64 -5.108 -2.043 -26.790 432 HA THR 64 HA THR 64 -5.948 -2.395 -24.195 433 HB THR 64 HB THR 64 -7.439 -0.519 -24.492 434 HG1 THR 64 HG1 THR 64 -7.133 -1.055 -27.274 435 HG21 THR 64 HG21 THR 64 -4.882 -0.255 -24.679 436 HG22 THR 64 HG22 THR 64 -5.896 1.096 -25.185 437 HG23 THR 64 HG23 THR 64 -5.181 0.029 -26.393 438 H ASN 65 H ASN 65 -7.414 -3.559 -27.117 439 HA ASN 65 HA ASN 65 -10.024 -4.018 -26.152 440 HB2 ASN 65 HB2 ASN 65 -8.400 -4.978 -28.453 441 HB3 ASN 65 HB3 ASN 65 -9.822 -5.923 -28.022 442 HD21 ASN 65 HD21 ASN 65 -9.705 -4.736 -30.446 443 HD22 ASN 65 HD22 ASN 65 -10.816 -3.414 -30.523 444 H ASN 66 H ASN 66 -7.287 -6.276 -26.526 445 HA ASN 66 HA ASN 66 -8.598 -8.391 -25.141 446 HB2 ASN 66 HB2 ASN 66 -5.667 -7.996 -25.785 447 HB3 ASN 66 HB3 ASN 66 -6.382 -9.495 -25.199 448 HD21 ASN 66 HD21 ASN 66 -5.361 -10.270 -27.219 449 HD22 ASN 66 HD22 ASN 66 -6.289 -10.187 -28.674 450 H ALA 67 H ALA 67 -6.785 -5.644 -24.152 451 HA ALA 67 HA ALA 67 -5.888 -6.640 -21.636 452 HB1 ALA 67 HB1 ALA 67 -4.877 -4.700 -22.814 453 HB2 ALA 67 HB2 ALA 67 -6.324 -3.766 -22.433 454 HB3 ALA 67 HB3 ALA 67 -5.296 -4.369 -21.133 455 H ALA 68 H ALA 68 -8.767 -4.940 -22.740 456 HA ALA 68 HA ALA 68 -9.809 -4.500 -20.106 457 HB1 ALA 68 HB1 ALA 68 -10.612 -3.902 -22.848 458 HB2 ALA 68 HB2 ALA 68 -11.963 -4.291 -21.783 459 HB3 ALA 68 HB3 ALA 68 -10.860 -2.980 -21.365 460 H ALA 69 H ALA 69 -10.347 -6.875 -22.669 461 HA ALA 69 HA ALA 69 -12.348 -8.273 -21.101 462 HB1 ALA 69 HB1 ALA 69 -12.162 -9.907 -23.096 463 HB2 ALA 69 HB2 ALA 69 -12.885 -8.319 -23.356 464 HB3 ALA 69 HB3 ALA 69 -11.220 -8.621 -23.850 465 H LEU 70 H LEU 70 -9.041 -8.166 -21.117 466 HA LEU 70 HA LEU 70 -8.198 -10.810 -21.015 467 HB2 LEU 70 HB2 LEU 70 -6.435 -9.368 -21.022 468 HB3 LEU 70 HB3 LEU 70 -7.214 -8.240 -19.914 469 HG LEU 70 HG LEU 70 -6.700 -9.768 -18.045 470 HD11 LEU 70 HD11 LEU 70 -5.964 -11.518 -20.238 471 HD12 LEU 70 HD12 LEU 70 -6.308 -11.899 -18.551 472 HD13 LEU 70 HD13 LEU 70 -4.690 -11.383 -19.027 473 HD21 LEU 70 HD21 LEU 70 -4.995 -8.050 -19.397 474 HD22 LEU 70 HD22 LEU 70 -4.023 -9.496 -19.117 475 HD23 LEU 70 HD23 LEU 70 -4.786 -8.668 -17.759 476 HA PRO 71 HA PRO 71 -8.962 -10.792 -16.246 477 HB2 PRO 71 HB2 PRO 71 -10.367 -8.711 -15.215 478 HB3 PRO 71 HB3 PRO 71 -8.607 -8.697 -15.373 479 HG2 PRO 71 HG2 PRO 71 -10.678 -7.463 -17.148 480 HG3 PRO 71 HG3 PRO 71 -9.138 -6.786 -16.587 481 HD2 PRO 71 HD2 PRO 71 -9.448 -7.850 -19.057 482 HD3 PRO 71 HD3 PRO 71 -7.914 -7.932 -18.167 483 H GLY 72 H GLY 72 -11.412 -9.521 -18.405 484 HA2 GLY 72 HA2 GLY 72 -13.656 -10.506 -16.931 485 HA3 GLY 72 HA3 GLY 72 -13.669 -9.948 -18.598 486 H LYS 73 H LYS 73 -12.035 -11.639 -19.895 487 HA LYS 73 HA LYS 73 -13.615 -13.932 -20.245 488 HB2 LYS 73 HB2 LYS 73 -10.913 -13.078 -21.206 489 HB3 LYS 73 HB3 LYS 73 -11.435 -14.735 -21.480 490 HG2 LYS 73 HG2 LYS 73 -13.599 -13.484 -22.388 491 HG3 LYS 73 HG3 LYS 73 -12.410 -12.211 -22.677 492 HD2 LYS 73 HD2 LYS 73 -11.359 -14.750 -23.515 493 HD3 LYS 73 HD3 LYS 73 -12.933 -14.471 -24.264 494 HE2 LYS 73 HE2 LYS 73 -12.183 -12.334 -25.118 495 HE3 LYS 73 HE3 LYS 73 -10.640 -12.511 -24.283 496 HZ1 LYS 73 HZ1 LYS 73 -11.505 -13.625 -26.787 497 HZ2 LYS 73 HZ2 LYS 73 -10.800 -14.771 -25.762 498 HZ3 LYS 73 HZ3 LYS 73 -9.938 -13.382 -26.196 499 H CYS 74 H CYS 74 -11.032 -13.251 -18.071 500 HA CYS 74 HA CYS 74 -10.475 -16.044 -17.515 501 HB2 CYS 74 HB2 CYS 74 -9.426 -13.460 -16.359 502 HB3 CYS 74 HB3 CYS 74 -8.973 -15.040 -15.726 503 H GLY 75 H GLY 75 -13.032 -14.261 -16.847 504 HA2 GLY 75 HA2 GLY 75 -14.686 -14.348 -15.258 505 HA3 GLY 75 HA3 GLY 75 -13.950 -15.853 -14.727 506 H VAL 76 H VAL 76 -13.571 -12.327 -14.482 507 HA VAL 76 HA VAL 76 -12.760 -12.711 -11.679 508 HB VAL 76 HB VAL 76 -11.593 -10.587 -13.476 509 HG11 VAL 76 HG11 VAL 76 -9.909 -11.086 -11.326 510 HG12 VAL 76 HG12 VAL 76 -10.984 -9.701 -11.526 511 HG13 VAL 76 HG13 VAL 76 -11.530 -11.121 -10.633 512 HG21 VAL 76 HG21 VAL 76 -10.313 -13.173 -12.594 513 HG22 VAL 76 HG22 VAL 76 -10.911 -12.839 -14.219 514 HG23 VAL 76 HG23 VAL 76 -9.563 -11.908 -13.567 515 H ASN 77 H ASN 77 -13.398 -11.098 -10.227 516 HA ASN 77 HA ASN 77 -15.782 -9.672 -11.019 517 HB2 ASN 77 HB2 ASN 77 -14.492 -9.434 -8.317 518 HB3 ASN 77 HB3 ASN 77 -16.201 -9.368 -8.738 519 HD21 ASN 77 HD21 ASN 77 -13.658 -11.301 -7.661 520 HD22 ASN 77 HD22 ASN 77 -14.469 -12.825 -7.705 521 H ILE 78 H ILE 78 -15.184 -7.995 -12.346 522 HA ILE 78 HA ILE 78 -13.854 -5.761 -11.013 523 HB ILE 78 HB ILE 78 -13.072 -6.597 -13.805 524 HG12 ILE 78 HG12 ILE 78 -11.554 -6.947 -11.210 525 HG13 ILE 78 HG13 ILE 78 -12.260 -8.241 -12.172 526 HG21 ILE 78 HG21 ILE 78 -12.163 -4.580 -13.952 527 HG22 ILE 78 HG22 ILE 78 -12.787 -4.183 -12.351 528 HG23 ILE 78 HG23 ILE 78 -11.187 -4.906 -12.520 529 HD11 ILE 78 HD11 ILE 78 -9.722 -6.888 -12.458 530 HD12 ILE 78 HD12 ILE 78 -10.277 -8.415 -13.144 531 HD13 ILE 78 HD13 ILE 78 -10.645 -6.896 -13.961 532 HA PRO 79 HA PRO 79 -17.674 -4.430 -13.203 533 HB2 PRO 79 HB2 PRO 79 -18.401 -2.651 -11.286 534 HB3 PRO 79 HB3 PRO 79 -18.803 -4.370 -11.203 535 HG2 PRO 79 HG2 PRO 79 -16.591 -2.874 -9.849 536 HG3 PRO 79 HG3 PRO 79 -17.665 -4.122 -9.190 537 HD2 PRO 79 HD2 PRO 79 -15.135 -4.654 -9.994 538 HD3 PRO 79 HD3 PRO 79 -16.447 -5.842 -10.125 539 H TYR 80 H TYR 80 -14.747 -3.006 -12.284 540 HA TYR 80 HA TYR 80 -15.330 -0.317 -13.100 541 HB2 TYR 80 HB2 TYR 80 -12.861 -1.811 -12.303 542 HB3 TYR 80 HB3 TYR 80 -12.704 -0.253 -13.107 543 HD1 TYR 80 HD1 TYR 80 -14.081 -1.948 -10.120 544 HD2 TYR 80 HD2 TYR 80 -13.100 1.772 -11.938 545 HE1 TYR 80 HE1 TYR 80 -14.429 -0.810 -7.967 546 HE2 TYR 80 HE2 TYR 80 -13.444 2.919 -9.790 547 HH TYR 80 HH TYR 80 -15.059 2.073 -7.491 548 H LYS 81 H LYS 81 -15.446 0.408 -15.110 549 HA LYS 81 HA LYS 81 -14.990 -1.223 -17.366 550 HB2 LYS 81 HB2 LYS 81 -15.228 1.790 -17.256 551 HB3 LYS 81 HB3 LYS 81 -15.442 0.783 -18.682 552 HG2 LYS 81 HG2 LYS 81 -17.485 -0.014 -17.982 553 HG3 LYS 81 HG3 LYS 81 -17.150 0.318 -16.281 554 HD2 LYS 81 HD2 LYS 81 -17.473 2.652 -16.586 555 HD3 LYS 81 HD3 LYS 81 -17.484 2.488 -18.343 556 HE2 LYS 81 HE2 LYS 81 -19.733 2.671 -17.891 557 HE3 LYS 81 HE3 LYS 81 -19.524 0.921 -17.895 558 HZ1 LYS 81 HZ1 LYS 81 -19.088 2.137 -15.323 559 HZ2 LYS 81 HZ2 LYS 81 -20.020 0.787 -15.737 560 HZ3 LYS 81 HZ3 LYS 81 -20.663 2.343 -15.905 561 H ILE 82 H ILE 82 -13.002 -1.934 -17.841 562 HA ILE 82 HA ILE 82 -10.573 -0.800 -17.211 563 HB ILE 82 HB ILE 82 -11.369 -2.607 -19.476 564 HG12 ILE 82 HG12 ILE 82 -11.310 -3.400 -17.076 565 HG13 ILE 82 HG13 ILE 82 -10.296 -4.309 -18.191 566 HG21 ILE 82 HG21 ILE 82 -8.783 -1.226 -19.027 567 HG22 ILE 82 HG22 ILE 82 -8.735 -2.918 -19.518 568 HG23 ILE 82 HG23 ILE 82 -9.553 -1.729 -20.531 569 HD11 ILE 82 HD11 ILE 82 -8.852 -2.120 -16.980 570 HD12 ILE 82 HD12 ILE 82 -9.534 -3.212 -15.774 571 HD13 ILE 82 HD13 ILE 82 -8.468 -3.840 -17.031 572 H SER 83 H SER 83 -10.141 1.296 -17.592 573 HA SER 83 HA SER 83 -10.071 2.161 -20.394 574 HB2 SER 83 HB2 SER 83 -12.072 3.196 -19.640 575 HB3 SER 83 HB3 SER 83 -11.350 3.638 -18.093 576 HG SER 83 HG SER 83 -11.554 5.273 -19.929 577 H THR 84 H THR 84 -7.978 2.462 -20.773 578 HA THR 84 HA THR 84 -6.007 2.951 -18.848 579 HB THR 84 HB THR 84 -4.769 3.902 -21.015 580 HG1 THR 84 HG1 THR 84 -6.509 3.944 -22.402 581 HG21 THR 84 HG21 THR 84 -4.450 1.408 -21.667 582 HG22 THR 84 HG22 THR 84 -5.444 1.086 -20.247 583 HG23 THR 84 HG23 THR 84 -3.918 1.953 -20.077 584 H THR 85 H THR 85 -8.271 5.067 -20.275 585 HA THR 85 HA THR 85 -6.727 7.477 -19.949 586 HB THR 85 HB THR 85 -8.652 8.669 -20.684 587 HG1 THR 85 HG1 THR 85 -10.554 8.025 -20.043 588 HG21 THR 85 HG21 THR 85 -7.485 7.222 -22.371 589 HG22 THR 85 HG22 THR 85 -9.155 7.620 -22.774 590 HG23 THR 85 HG23 THR 85 -8.758 6.026 -22.133 591 H THR 86 H THR 86 -8.697 5.513 -17.956 592 HA THR 86 HA THR 86 -9.509 7.558 -16.117 593 HB THR 86 HB THR 86 -9.486 4.546 -15.861 594 HG1 THR 86 HG1 THR 86 -10.982 5.548 -17.374 595 HG21 THR 86 HG21 THR 86 -11.019 4.952 -13.923 596 HG22 THR 86 HG22 THR 86 -10.577 6.657 -14.001 597 HG23 THR 86 HG23 THR 86 -9.350 5.443 -13.642 598 H ASN 87 H ASN 87 -8.646 8.080 -14.136 599 HA ASN 87 HA ASN 87 -5.831 7.485 -13.800 600 HB2 ASN 87 HB2 ASN 87 -7.133 9.765 -13.429 601 HB3 ASN 87 HB3 ASN 87 -7.361 9.104 -11.812 602 HD21 ASN 87 HD21 ASN 87 -6.079 11.168 -11.465 603 HD22 ASN 87 HD22 ASN 87 -4.361 10.996 -11.405 604 H CYS 88 H CYS 88 -5.264 5.672 -12.800 605 HA CYS 88 HA CYS 88 -6.970 4.211 -11.071 606 HB2 CYS 88 HB2 CYS 88 -3.971 3.918 -11.247 607 HB3 CYS 88 HB3 CYS 88 -5.154 2.688 -10.811 608 H ASN 89 H ASN 89 -5.111 6.960 -10.555 609 HA ASN 89 HA ASN 89 -4.347 6.456 -7.837 610 HB2 ASN 89 HB2 ASN 89 -4.336 8.872 -9.622 611 HB3 ASN 89 HB3 ASN 89 -4.027 9.039 -7.896 612 HD21 ASN 89 HD21 ASN 89 -2.442 9.120 -10.577 613 HD22 ASN 89 HD22 ASN 89 -0.994 8.266 -10.178 614 H THR 90 H THR 90 -7.212 7.444 -9.408 615 HA THR 90 HA THR 90 -8.311 8.697 -7.008 616 HB THR 90 HB THR 90 -10.195 9.350 -8.349 617 HG1 THR 90 HG1 THR 90 -10.451 8.607 -10.465 618 HG21 THR 90 HG21 THR 90 -9.049 10.580 -10.210 619 HG22 THR 90 HG22 THR 90 -7.574 9.705 -9.799 620 HG23 THR 90 HG23 THR 90 -8.308 10.796 -8.625 621 H VAL 91 H VAL 91 -7.761 5.689 -7.627 622 HA VAL 91 HA VAL 91 -10.441 4.602 -7.239 623 HB VAL 91 HB VAL 91 -9.561 2.473 -7.690 624 HG11 VAL 91 HG11 VAL 91 -8.235 2.767 -9.757 625 HG12 VAL 91 HG12 VAL 91 -9.634 3.838 -9.679 626 HG13 VAL 91 HG13 VAL 91 -8.021 4.468 -9.346 627 HG21 VAL 91 HG21 VAL 91 -6.846 2.540 -7.954 628 HG22 VAL 91 HG22 VAL 91 -7.103 3.608 -6.574 629 HG23 VAL 91 HG23 VAL 91 -7.710 1.953 -6.533 630 H LYS 92 H LYS 92 -8.814 6.170 -5.195 631 HA LYS 92 HA LYS 92 -8.148 4.333 -3.115 632 HB2 LYS 92 HB2 LYS 92 -7.035 6.423 -3.065 633 HB3 LYS 92 HB3 LYS 92 -8.543 7.318 -3.201 634 HG2 LYS 92 HG2 LYS 92 -8.901 7.285 -0.996 635 HG3 LYS 92 HG3 LYS 92 -8.393 5.602 -0.840 636 HD2 LYS 92 HD2 LYS 92 -6.783 6.770 0.373 637 HD3 LYS 92 HD3 LYS 92 -6.010 6.514 -1.194 638 HE2 LYS 92 HE2 LYS 92 -7.593 9.000 -0.789 639 HE3 LYS 92 HE3 LYS 92 -6.016 8.881 -0.009 640 HZ1 LYS 92 HZ1 LYS 92 -5.832 9.904 -2.179 641 HZ2 LYS 92 HZ2 LYS 92 -6.547 8.559 -2.914 642 HZ3 LYS 92 HZ3 LYS 92 -5.032 8.413 -2.174 643 H PHE 93 H PHE 93 -9.428 3.388 -1.668 644 HA PHE 93 HA PHE 93 -12.183 3.377 -1.795 645 HB2 PHE 93 HB2 PHE 93 -12.162 2.061 0.130 646 HB3 PHE 93 HB3 PHE 93 -10.546 1.812 -0.522 647 HD1 PHE 93 HD1 PHE 93 -12.125 2.047 2.418 648 HD2 PHE 93 HD2 PHE 93 -8.988 4.014 0.319 649 HE1 PHE 93 HE1 PHE 93 -11.156 2.777 4.558 650 HE2 PHE 93 HE2 PHE 93 -8.013 4.747 2.456 651 HZ PHE 93 HZ PHE 93 -9.097 4.128 4.579 652 HC11 PGM 101 H11 PPG 103 9.395 -3.921 -22.815 653 HC12 PGM 101 H12 PPG 103 8.765 -3.040 -24.044 654 HO1 PGM 101 H1 PPG 103 11.177 -4.468 -24.045 655 HC2 PGM 101 H2A PPG 103 11.302 -2.173 -22.892 656 HO2 PGM 101 H2 PPG 103 10.182 -1.402 -24.933 657 HC31 PGM 101 H31 PPG 103 8.554 -1.652 -21.993 658 HC32 PGM 101 H32 PPG 103 9.788 -0.655 -21.576 659 HC71 PGM 101 H91 PPG 103 8.235 -4.521 -18.667 660 HC72 PGM 101 H92 PPG 103 8.627 -4.341 -20.235 661 HC8 PGM 101 H10A PPG 103 7.077 -6.129 -20.000 662 HO8 PGM 101 H10 PPG 103 5.246 -5.010 -21.283 663 HC91 PGM 101 H111 PPG 103 5.496 -4.004 -18.754 664 HC92 PGM 101 H112 PPG 103 5.783 -5.473 -18.114 665 HCB1 PGM 101 H151 PPG 103 1.713 -5.882 -19.578 666 HCB2 PGM 101 H152 PPG 103 2.004 -5.212 -21.037 667 HCC1 PGM 101 H161 PPG 103 0.791 -3.344 -20.547 668 HCC2 PGM 101 H162 PPG 103 1.043 -3.494 -18.943 669 HCD1 PGM 101 H171 PPG 103 -0.247 -5.654 -19.196 670 HCD2 PGM 101 H172 PPG 103 -0.800 -4.969 -20.563 671 HCE1 PGM 101 H181 PPG 103 -1.047 -3.395 -18.235 672 HCE2 PGM 101 H182 PPG 103 -2.016 -4.702 -18.295 673 HCF1 PGM 101 H191 PPG 103 -2.804 -3.857 -20.432 674 HCF2 PGM 101 H192 PPG 103 -2.019 -2.474 -20.075 675 HCG1 PGM 101 H201 PPG 103 -4.001 -3.345 -18.245 676 HCG2 PGM 101 H202 PPG 103 -4.500 -2.682 -19.645 677 HCH1 PGM 101 H211 PPG 103 -3.267 -0.677 -19.093 678 HCH2 PGM 101 H212 PPG 103 -2.901 -1.343 -17.646 679 HCI1 PGM 101 H221 PPG 103 -5.661 -1.330 -18.440 680 HCI2 PGM 101 H222 PPG 103 -5.037 0.069 -17.864 681 HCJ1 PGM 101 H231 PPG 103 -5.758 -0.790 -15.947 682 HCJ2 PGM 101 H232 PPG 103 -4.263 -1.454 -15.968 683 HCK1 PGM 101 H241 PPG 103 -5.044 -3.513 -16.413 684 HCK2 PGM 101 H242 PPG 103 -6.390 -2.953 -17.147 685 HCL1 PGM 101 H251 PPG 103 -7.259 -3.683 -15.152 686 HCL2 PGM 101 H252 PPG 103 -6.982 -2.110 -14.799 687 HCM1 PGM 101 H261 PPG 103 -5.103 -2.600 -13.582 688 HCM2 PGM 101 H262 PPG 103 -4.755 -3.916 -14.479 689 HCN1 PGM 101 H271 PPG 103 -6.580 -5.093 -13.509 690 HCN2 PGM 101 H272 PPG 103 -7.025 -3.772 -12.669 691 HCO1 PGM 101 H281 PPG 103 -5.772 -4.751 -11.101 692 HCO2 PGM 101 H282 PPG 103 -4.609 -3.875 -11.852 693 HCP1 PGM 101 H291 PPG 103 -3.796 -6.007 -11.306 694 HCP2 PGM 101 H292 PPG 103 -4.991 -6.698 -12.178 695 HCP3 PGM 101 H293 PPG 103 -3.840 -5.829 -12.933 Start of MODEL 9 1 H ALA 1 H ALA 1 3.511 0.350 0.825 2 HA ALA 1 HA ALA 1 1.656 -0.650 -0.979 3 HB1 ALA 1 HB1 ALA 1 2.515 0.848 -2.412 4 HB2 ALA 1 HB2 ALA 1 3.459 1.377 -1.018 5 HB3 ALA 1 HB3 ALA 1 4.166 0.266 -2.191 6 H ILE 2 H ILE 2 2.112 -1.826 -3.026 7 HA ILE 2 HA ILE 2 3.470 -4.305 -2.423 8 HB ILE 2 HB ILE 2 2.529 -5.157 -4.464 9 HG12 ILE 2 HG12 ILE 2 1.680 -2.308 -5.031 10 HG13 ILE 2 HG13 ILE 2 2.925 -3.204 -5.893 11 HG21 ILE 2 HG21 ILE 2 1.076 -4.385 -2.322 12 HG22 ILE 2 HG22 ILE 2 0.217 -3.549 -3.615 13 HG23 ILE 2 HG23 ILE 2 0.423 -5.299 -3.681 14 HD11 ILE 2 HD11 ILE 2 0.014 -3.958 -5.799 15 HD12 ILE 2 HD12 ILE 2 0.801 -3.088 -7.117 16 HD13 ILE 2 HD13 ILE 2 1.279 -4.744 -6.744 17 H SER 3 H SER 3 4.538 -5.260 -4.623 18 HA SER 3 HA SER 3 6.778 -3.443 -5.151 19 HB2 SER 3 HB2 SER 3 6.643 -6.402 -5.755 20 HB3 SER 3 HB3 SER 3 8.080 -5.382 -5.683 21 HG SER 3 HG SER 3 8.119 -5.602 -3.591 22 H CYS 4 H CYS 4 6.604 -2.293 -6.953 23 HA CYS 4 HA CYS 4 4.851 -2.688 -9.045 24 HB2 CYS 4 HB2 CYS 4 6.367 -0.662 -8.495 25 HB3 CYS 4 HB3 CYS 4 7.565 -1.473 -9.498 26 H GLY 5 H GLY 5 8.178 -3.858 -8.711 27 HA2 GLY 5 HA2 GLY 5 8.552 -4.910 -11.256 28 HA3 GLY 5 HA3 GLY 5 9.299 -5.541 -9.795 29 H ALA 6 H ALA 6 6.644 -6.146 -8.612 30 HA ALA 6 HA ALA 6 6.339 -8.760 -9.823 31 HB1 ALA 6 HB1 ALA 6 4.740 -7.706 -7.511 32 HB2 ALA 6 HB2 ALA 6 5.149 -9.378 -7.901 33 HB3 ALA 6 HB3 ALA 6 6.398 -8.277 -7.317 34 H VAL 7 H VAL 7 4.749 -5.710 -9.883 35 HA VAL 7 HA VAL 7 2.133 -6.563 -10.542 36 HB VAL 7 HB VAL 7 3.468 -3.971 -11.333 37 HG11 VAL 7 HG11 VAL 7 0.598 -4.042 -10.723 38 HG12 VAL 7 HG12 VAL 7 1.465 -3.220 -12.022 39 HG13 VAL 7 HG13 VAL 7 1.070 -4.933 -12.170 40 HG21 VAL 7 HG21 VAL 7 2.711 -3.033 -9.286 41 HG22 VAL 7 HG22 VAL 7 1.798 -4.485 -8.880 42 HG23 VAL 7 HG23 VAL 7 3.561 -4.523 -8.878 43 H THR 8 H THR 8 4.798 -5.389 -12.598 44 HA THR 8 HA THR 8 3.414 -6.009 -15.026 45 HB THR 8 HB THR 8 5.468 -5.398 -16.169 46 HG1 THR 8 HG1 THR 8 7.367 -5.389 -15.179 47 HG21 THR 8 HG21 THR 8 4.026 -3.729 -14.434 48 HG22 THR 8 HG22 THR 8 5.003 -3.246 -15.821 49 HG23 THR 8 HG23 THR 8 5.723 -3.305 -14.212 50 H SER 9 H SER 9 5.869 -7.587 -13.059 51 HA SER 9 HA SER 9 6.663 -9.577 -14.851 52 HB2 SER 9 HB2 SER 9 6.675 -9.300 -11.877 53 HB3 SER 9 HB3 SER 9 7.004 -10.888 -12.569 54 HG SER 9 HG SER 9 8.367 -8.507 -13.294 55 H ASP 10 H ASP 10 3.987 -9.498 -12.539 56 HA ASP 10 HA ASP 10 3.121 -12.137 -12.803 57 HB2 ASP 10 HB2 ASP 10 1.650 -9.588 -12.150 58 HB3 ASP 10 HB3 ASP 10 0.841 -11.152 -12.172 59 H LEU 11 H LEU 11 2.871 -9.470 -14.975 60 HA LEU 11 HA LEU 11 0.890 -10.875 -16.617 61 HB2 LEU 11 HB2 LEU 11 1.926 -8.057 -16.609 62 HB3 LEU 11 HB3 LEU 11 0.987 -8.702 -17.954 63 HG LEU 11 HG LEU 11 0.071 -8.303 -15.110 64 HD11 LEU 11 HD11 LEU 11 -1.312 -6.622 -15.934 65 HD12 LEU 11 HD12 LEU 11 -1.144 -7.167 -17.602 66 HD13 LEU 11 HD13 LEU 11 0.206 -6.368 -16.796 67 HD21 LEU 11 HD21 LEU 11 -0.927 -10.067 -17.224 68 HD22 LEU 11 HD22 LEU 11 -2.146 -8.990 -16.540 69 HD23 LEU 11 HD23 LEU 11 -1.241 -10.080 -15.488 70 H SER 12 H SER 12 3.905 -11.388 -16.273 71 HA SER 12 HA SER 12 5.292 -10.758 -18.592 72 HB2 SER 12 HB2 SER 12 6.745 -11.730 -17.137 73 HB3 SER 12 HB3 SER 12 5.521 -12.819 -16.484 74 HG SER 12 HG SER 12 7.421 -13.465 -18.114 75 HA PRO 13 HA PRO 13 3.763 -14.894 -20.563 76 HB2 PRO 13 HB2 PRO 13 1.779 -16.231 -19.280 77 HB3 PRO 13 HB3 PRO 13 3.494 -16.510 -18.953 78 HG2 PRO 13 HG2 PRO 13 1.521 -14.851 -17.431 79 HG3 PRO 13 HG3 PRO 13 2.757 -15.964 -16.816 80 HD2 PRO 13 HD2 PRO 13 3.103 -13.278 -16.854 81 HD3 PRO 13 HD3 PRO 13 4.449 -14.418 -17.060 82 H CYS 14 H CYS 14 1.723 -12.542 -19.127 83 HA CYS 14 HA CYS 14 -0.515 -13.053 -20.907 84 HB2 CYS 14 HB2 CYS 14 -0.069 -10.839 -18.893 85 HB3 CYS 14 HB3 CYS 14 -1.568 -11.138 -19.767 86 H LEU 15 H LEU 15 2.257 -10.976 -20.687 87 HA LEU 15 HA LEU 15 1.631 -8.801 -22.201 88 HB2 LEU 15 HB2 LEU 15 3.880 -9.577 -21.167 89 HB3 LEU 15 HB3 LEU 15 4.169 -10.287 -22.754 90 HG LEU 15 HG LEU 15 4.027 -8.089 -23.786 91 HD11 LEU 15 HD11 LEU 15 2.933 -7.372 -21.183 92 HD12 LEU 15 HD12 LEU 15 2.754 -6.579 -22.748 93 HD13 LEU 15 HD13 LEU 15 4.173 -6.254 -21.752 94 HD21 LEU 15 HD21 LEU 15 6.111 -7.295 -23.103 95 HD22 LEU 15 HD22 LEU 15 6.157 -9.010 -22.691 96 HD23 LEU 15 HD23 LEU 15 5.865 -7.808 -21.433 97 H THR 16 H THR 16 2.334 -12.058 -23.366 98 HA THR 16 HA THR 16 2.468 -11.554 -26.098 99 HB THR 16 HB THR 16 1.373 -13.998 -24.694 100 HG1 THR 16 HG1 THR 16 3.933 -13.601 -25.871 101 HG21 THR 16 HG21 THR 16 2.521 -14.636 -27.199 102 HG22 THR 16 HG22 THR 16 1.385 -13.313 -27.469 103 HG23 THR 16 HG23 THR 16 0.838 -14.803 -26.700 104 H TYR 17 H TYR 17 -0.385 -12.882 -24.412 105 HA TYR 17 HA TYR 17 -2.171 -12.439 -26.522 106 HB2 TYR 17 HB2 TYR 17 -2.796 -13.984 -24.821 107 HB3 TYR 17 HB3 TYR 17 -2.607 -12.776 -23.555 108 HD1 TYR 17 HD1 TYR 17 -4.613 -13.434 -26.635 109 HD2 TYR 17 HD2 TYR 17 -4.488 -11.686 -22.758 110 HE1 TYR 17 HE1 TYR 17 -7.004 -12.884 -26.812 111 HE2 TYR 17 HE2 TYR 17 -6.879 -11.132 -22.924 112 HH TYR 17 HH TYR 17 -8.732 -11.319 -24.135 113 H LEU 18 H LEU 18 -1.086 -10.362 -23.929 114 HA LEU 18 HA LEU 18 -3.101 -8.371 -24.252 115 HB2 LEU 18 HB2 LEU 18 -0.386 -8.335 -22.956 116 HB3 LEU 18 HB3 LEU 18 -1.470 -6.945 -22.959 117 HG LEU 18 HG LEU 18 -1.970 -9.617 -21.651 118 HD11 LEU 18 HD11 LEU 18 -0.395 -8.272 -20.418 119 HD12 LEU 18 HD12 LEU 18 -1.948 -8.270 -19.582 120 HD13 LEU 18 HD13 LEU 18 -1.455 -6.867 -20.530 121 HD21 LEU 18 HD21 LEU 18 -4.136 -9.149 -21.781 122 HD22 LEU 18 HD22 LEU 18 -3.804 -7.601 -22.558 123 HD23 LEU 18 HD23 LEU 18 -3.841 -7.715 -20.798 124 H THR 19 H THR 19 -0.129 -9.097 -25.855 125 HA THR 19 HA THR 19 -0.022 -6.473 -27.136 126 HB THR 19 HB THR 19 2.061 -7.374 -28.217 127 HG1 THR 19 HG1 THR 19 2.184 -9.493 -28.109 128 HG21 THR 19 HG21 THR 19 3.053 -6.333 -26.517 129 HG22 THR 19 HG22 THR 19 2.897 -7.791 -25.537 130 HG23 THR 19 HG23 THR 19 1.620 -6.576 -25.519 131 H GLY 20 H GLY 20 -2.151 -8.521 -27.649 132 HA2 GLY 20 HA2 GLY 20 -3.427 -8.768 -29.606 133 HA3 GLY 20 HA3 GLY 20 -2.003 -8.374 -30.558 134 H GLY 21 H GLY 21 -0.801 -10.510 -28.484 135 HA2 GLY 21 HA2 GLY 21 -0.706 -12.615 -30.392 136 HA3 GLY 21 HA3 GLY 21 -0.100 -12.685 -28.744 137 HA PRO 22 HA PRO 22 -3.910 -15.398 -29.286 138 HB2 PRO 22 HB2 PRO 22 -2.690 -17.757 -28.722 139 HB3 PRO 22 HB3 PRO 22 -2.798 -17.099 -30.358 140 HG2 PRO 22 HG2 PRO 22 -0.515 -17.002 -28.424 141 HG3 PRO 22 HG3 PRO 22 -0.492 -17.333 -30.166 142 HD2 PRO 22 HD2 PRO 22 0.157 -14.916 -29.133 143 HD3 PRO 22 HD3 PRO 22 -0.619 -15.099 -30.719 144 H GLY 23 H GLY 23 -5.111 -16.255 -27.589 145 HA2 GLY 23 HA2 GLY 23 -4.612 -17.273 -25.220 146 HA3 GLY 23 HA3 GLY 23 -4.063 -15.629 -24.927 147 HA PRO 24 HA PRO 24 -4.537 -15.032 -23.101 148 HB2 PRO 24 HB2 PRO 24 -5.795 -15.487 -20.738 149 HB3 PRO 24 HB3 PRO 24 -5.865 -13.934 -21.581 150 HG2 PRO 24 HG2 PRO 24 -7.871 -16.155 -21.532 151 HG3 PRO 24 HG3 PRO 24 -8.135 -14.406 -21.410 152 HD2 PRO 24 HD2 PRO 24 -8.520 -15.781 -23.711 153 HD3 PRO 24 HD3 PRO 24 -7.965 -14.095 -23.687 154 H SER 25 H SER 25 -3.073 -16.563 -22.707 155 HA SER 25 HA SER 25 -3.661 -19.319 -22.927 156 HB2 SER 25 HB2 SER 25 -1.218 -19.381 -21.819 157 HB3 SER 25 HB3 SER 25 -1.477 -18.965 -23.513 158 HG SER 25 HG SER 25 -0.151 -17.505 -22.064 159 HA PRO 26 HA PRO 26 -4.606 -20.629 -18.850 160 HB2 PRO 26 HB2 PRO 26 -3.162 -22.913 -18.583 161 HB3 PRO 26 HB3 PRO 26 -4.585 -22.792 -19.624 162 HG2 PRO 26 HG2 PRO 26 -1.686 -22.642 -20.354 163 HG3 PRO 26 HG3 PRO 26 -3.004 -23.495 -21.178 164 HD2 PRO 26 HD2 PRO 26 -2.061 -21.103 -22.027 165 HD3 PRO 26 HD3 PRO 26 -3.760 -21.582 -22.218 166 H GLN 27 H GLN 27 -1.180 -20.410 -19.628 167 HA GLN 27 HA GLN 27 -0.310 -20.486 -16.897 168 HB2 GLN 27 HB2 GLN 27 1.180 -19.539 -19.351 169 HB3 GLN 27 HB3 GLN 27 1.891 -19.931 -17.791 170 HG2 GLN 27 HG2 GLN 27 1.296 -22.246 -18.044 171 HG3 GLN 27 HG3 GLN 27 0.427 -21.894 -19.537 172 HE21 GLN 27 HE21 GLN 27 1.901 -20.602 -21.134 173 HE22 GLN 27 HE22 GLN 27 3.457 -21.305 -21.396 174 H CYS 28 H CYS 28 -1.282 -18.023 -19.154 175 HA CYS 28 HA CYS 28 -0.160 -15.813 -17.743 176 HB2 CYS 28 HB2 CYS 28 -0.590 -15.215 -19.917 177 HB3 CYS 28 HB3 CYS 28 -2.065 -16.173 -20.002 178 H CYS 29 H CYS 29 -3.462 -17.126 -17.977 179 HA CYS 29 HA CYS 29 -4.783 -15.366 -16.325 180 HB2 CYS 29 HB2 CYS 29 -5.164 -18.292 -16.880 181 HB3 CYS 29 HB3 CYS 29 -6.197 -17.469 -15.716 182 H GLY 30 H GLY 30 -2.696 -18.054 -15.447 183 HA2 GLY 30 HA2 GLY 30 -3.302 -18.315 -12.749 184 HA3 GLY 30 HA3 GLY 30 -1.718 -18.618 -13.449 185 H GLY 31 H GLY 31 -1.109 -16.014 -14.320 186 HA2 GLY 31 HA2 GLY 31 -0.214 -14.887 -11.838 187 HA3 GLY 31 HA3 GLY 31 0.087 -14.242 -13.445 188 H VAL 32 H VAL 32 -2.533 -13.891 -14.329 189 HA VAL 32 HA VAL 32 -3.160 -11.362 -13.435 190 HB VAL 32 HB VAL 32 -5.089 -13.395 -14.564 191 HG11 VAL 32 HG11 VAL 32 -6.430 -11.486 -15.243 192 HG12 VAL 32 HG12 VAL 32 -6.207 -11.486 -13.493 193 HG13 VAL 32 HG13 VAL 32 -5.270 -10.384 -14.502 194 HG21 VAL 32 HG21 VAL 32 -3.767 -11.222 -16.135 195 HG22 VAL 32 HG22 VAL 32 -2.920 -12.740 -15.841 196 HG23 VAL 32 HG23 VAL 32 -4.464 -12.743 -16.694 197 H LYS 33 H LYS 33 -4.525 -14.454 -12.354 198 HA LYS 33 HA LYS 33 -6.378 -13.355 -10.529 199 HB2 LYS 33 HB2 LYS 33 -5.052 -16.072 -10.454 200 HB3 LYS 33 HB3 LYS 33 -6.519 -15.613 -9.599 201 HG2 LYS 33 HG2 LYS 33 -7.808 -15.689 -11.476 202 HG3 LYS 33 HG3 LYS 33 -6.465 -15.288 -12.550 203 HD2 LYS 33 HD2 LYS 33 -5.627 -17.484 -12.495 204 HD3 LYS 33 HD3 LYS 33 -6.597 -17.908 -11.083 205 HE2 LYS 33 HE2 LYS 33 -8.578 -17.293 -12.740 206 HE3 LYS 33 HE3 LYS 33 -7.369 -17.731 -13.946 207 HZ1 LYS 33 HZ1 LYS 33 -7.163 -19.753 -12.195 208 HZ2 LYS 33 HZ2 LYS 33 -8.121 -19.793 -13.588 209 HZ3 LYS 33 HZ3 LYS 33 -8.817 -19.409 -12.094 210 H LYS 34 H LYS 34 -3.057 -14.524 -10.141 211 HA LYS 34 HA LYS 34 -2.912 -14.209 -7.344 212 HB2 LYS 34 HB2 LYS 34 -1.285 -15.555 -8.526 213 HB3 LYS 34 HB3 LYS 34 -0.744 -14.160 -9.450 214 HG2 LYS 34 HG2 LYS 34 0.481 -13.317 -7.732 215 HG3 LYS 34 HG3 LYS 34 -0.579 -13.996 -6.494 216 HD2 LYS 34 HD2 LYS 34 0.449 -16.057 -6.556 217 HD3 LYS 34 HD3 LYS 34 1.025 -15.838 -8.209 218 HE2 LYS 34 HE2 LYS 34 2.667 -14.214 -7.436 219 HE3 LYS 34 HE3 LYS 34 2.067 -14.373 -5.786 220 HZ1 LYS 34 HZ1 LYS 34 3.475 -16.417 -7.404 221 HZ2 LYS 34 HZ2 LYS 34 2.671 -16.785 -5.962 222 HZ3 LYS 34 HZ3 LYS 34 3.982 -15.716 -5.951 223 H LEU 35 H LEU 35 -2.229 -12.011 -10.019 224 HA LEU 35 HA LEU 35 -1.105 -9.935 -8.460 225 HB2 LEU 35 HB2 LEU 35 -0.663 -9.868 -10.760 226 HB3 LEU 35 HB3 LEU 35 -2.366 -10.044 -11.178 227 HG LEU 35 HG LEU 35 -2.816 -7.772 -10.529 228 HD11 LEU 35 HD11 LEU 35 -1.611 -6.825 -8.927 229 HD12 LEU 35 HD12 LEU 35 -0.295 -6.642 -10.087 230 HD13 LEU 35 HD13 LEU 35 -0.369 -8.071 -9.056 231 HD21 LEU 35 HD21 LEU 35 -1.655 -6.628 -12.240 232 HD22 LEU 35 HD22 LEU 35 -1.811 -8.298 -12.787 233 HD23 LEU 35 HD23 LEU 35 -0.275 -7.722 -12.138 234 H LEU 36 H LEU 36 -4.377 -10.349 -9.809 235 HA LEU 36 HA LEU 36 -5.464 -8.044 -8.599 236 HB2 LEU 36 HB2 LEU 36 -6.748 -10.564 -9.629 237 HB3 LEU 36 HB3 LEU 36 -7.665 -9.176 -9.046 238 HG LEU 36 HG LEU 36 -5.724 -9.031 -11.346 239 HD11 LEU 36 HD11 LEU 36 -7.697 -10.620 -11.663 240 HD12 LEU 36 HD12 LEU 36 -7.479 -9.343 -12.859 241 HD13 LEU 36 HD13 LEU 36 -8.709 -9.177 -11.606 242 HD21 LEU 36 HD21 LEU 36 -6.359 -6.945 -10.070 243 HD22 LEU 36 HD22 LEU 36 -8.007 -7.201 -10.642 244 HD23 LEU 36 HD23 LEU 36 -6.704 -6.927 -11.800 245 H ALA 37 H ALA 37 -5.168 -11.383 -7.542 246 HA ALA 37 HA ALA 37 -6.870 -11.223 -5.298 247 HB1 ALA 37 HB1 ALA 37 -6.332 -13.384 -6.007 248 HB2 ALA 37 HB2 ALA 37 -4.601 -13.045 -6.029 249 HB3 ALA 37 HB3 ALA 37 -5.451 -13.194 -4.491 250 H ALA 38 H ALA 38 -3.670 -10.073 -5.871 251 HA ALA 38 HA ALA 38 -3.000 -9.830 -3.064 252 HB1 ALA 38 HB1 ALA 38 -1.196 -10.325 -4.553 253 HB2 ALA 38 HB2 ALA 38 -1.579 -8.931 -5.564 254 HB3 ALA 38 HB3 ALA 38 -0.957 -8.691 -3.932 255 H ALA 39 H ALA 39 -4.112 -7.775 -5.692 256 HA ALA 39 HA ALA 39 -3.814 -5.324 -4.239 257 HB1 ALA 39 HB1 ALA 39 -5.508 -5.848 -6.677 258 HB2 ALA 39 HB2 ALA 39 -4.935 -4.285 -6.092 259 HB3 ALA 39 HB3 ALA 39 -3.786 -5.468 -6.718 260 H ASN 40 H ASN 40 -4.944 -6.301 -2.297 261 HA ASN 40 HA ASN 40 -7.865 -6.170 -2.525 262 HB2 ASN 40 HB2 ASN 40 -6.980 -8.187 -1.468 263 HB3 ASN 40 HB3 ASN 40 -6.114 -7.210 -0.286 264 HD21 ASN 40 HD21 ASN 40 -9.260 -8.256 -1.385 265 HD22 ASN 40 HD22 ASN 40 -10.105 -7.894 0.078 266 H THR 41 H THR 41 -5.308 -4.210 -1.767 267 HA THR 41 HA THR 41 -6.881 -2.631 0.159 268 HB THR 41 HB THR 41 -4.404 -1.484 0.214 269 HG1 THR 41 HG1 THR 41 -3.011 -3.426 0.444 270 HG21 THR 41 HG21 THR 41 -5.931 -3.345 1.881 271 HG22 THR 41 HG22 THR 41 -5.085 -1.862 2.322 272 HG23 THR 41 HG23 THR 41 -4.194 -3.377 2.181 273 H THR 42 H THR 42 -6.416 -0.216 0.000 274 HA THR 42 HA THR 42 -7.190 0.678 -2.583 275 HB THR 42 HB THR 42 -6.573 2.021 0.011 276 HG1 THR 42 HG1 THR 42 -8.705 1.201 -0.710 277 HG21 THR 42 HG21 THR 42 -6.498 3.312 -2.686 278 HG22 THR 42 HG22 THR 42 -5.487 3.610 -1.272 279 HG23 THR 42 HG23 THR 42 -7.148 4.201 -1.309 280 HA PRO 43 HA PRO 43 -2.753 2.617 -2.706 281 HB2 PRO 43 HB2 PRO 43 -0.955 1.670 -0.906 282 HB3 PRO 43 HB3 PRO 43 -1.996 3.061 -0.583 283 HG2 PRO 43 HG2 PRO 43 -2.324 0.211 0.272 284 HG3 PRO 43 HG3 PRO 43 -2.577 1.696 1.208 285 HD2 PRO 43 HD2 PRO 43 -4.621 0.299 0.111 286 HD3 PRO 43 HD3 PRO 43 -4.662 2.064 0.297 287 H ASP 44 H ASP 44 -3.588 -0.646 -2.358 288 HA ASP 44 HA ASP 44 -1.150 -1.691 -3.543 289 HB2 ASP 44 HB2 ASP 44 -3.610 -2.852 -2.345 290 HB3 ASP 44 HB3 ASP 44 -2.785 -3.815 -3.567 291 H ARG 45 H ARG 45 -4.511 -1.106 -4.445 292 HA ARG 45 HA ARG 45 -4.240 -2.262 -7.054 293 HB2 ARG 45 HB2 ARG 45 -6.376 -0.330 -6.159 294 HB3 ARG 45 HB3 ARG 45 -6.476 -1.531 -7.440 295 HG2 ARG 45 HG2 ARG 45 -5.843 -2.883 -5.031 296 HG3 ARG 45 HG3 ARG 45 -7.186 -1.785 -4.709 297 HD2 ARG 45 HD2 ARG 45 -7.985 -2.822 -7.058 298 HD3 ARG 45 HD3 ARG 45 -7.056 -4.181 -6.429 299 HE ARG 45 HE ARG 45 -8.764 -3.248 -4.412 300 HH11 ARG 45 HH11 ARG 45 -8.907 -4.858 -7.496 301 HH12 ARG 45 HH12 ARG 45 -10.371 -5.709 -7.131 302 HH21 ARG 45 HH21 ARG 45 -10.693 -4.362 -3.920 303 HH22 ARG 45 HH22 ARG 45 -11.387 -5.425 -5.097 304 H GLN 46 H GLN 46 -4.302 1.037 -5.756 305 HA GLN 46 HA GLN 46 -4.227 2.457 -8.136 306 HB2 GLN 46 HB2 GLN 46 -2.872 3.145 -5.522 307 HB3 GLN 46 HB3 GLN 46 -3.186 4.275 -6.833 308 HG2 GLN 46 HG2 GLN 46 -5.500 4.207 -6.489 309 HG3 GLN 46 HG3 GLN 46 -5.395 2.752 -5.500 310 HE21 GLN 46 HE21 GLN 46 -5.876 5.981 -5.394 311 HE22 GLN 46 HE22 GLN 46 -5.399 6.301 -3.765 312 H ALA 47 H ALA 47 -1.472 1.358 -6.162 313 HA ALA 47 HA ALA 47 0.541 2.276 -7.891 314 HB1 ALA 47 HB1 ALA 47 0.391 0.401 -5.614 315 HB2 ALA 47 HB2 ALA 47 1.777 0.226 -6.691 316 HB3 ALA 47 HB3 ALA 47 1.470 1.768 -5.892 317 H ALA 48 H ALA 48 -0.824 -0.998 -7.527 318 HA ALA 48 HA ALA 48 0.615 -2.288 -9.500 319 HB1 ALA 48 HB1 ALA 48 -2.290 -2.885 -9.071 320 HB2 ALA 48 HB2 ALA 48 -0.960 -3.998 -9.397 321 HB3 ALA 48 HB3 ALA 48 -1.095 -3.223 -7.818 322 H CYS 49 H CYS 49 -2.357 -0.388 -9.816 323 HA CYS 49 HA CYS 49 -2.774 -0.907 -12.563 324 HB2 CYS 49 HB2 CYS 49 -4.462 0.026 -10.925 325 HB3 CYS 49 HB3 CYS 49 -3.634 1.573 -11.070 326 H ASN 50 H ASN 50 -1.699 2.149 -11.065 327 HA ASN 50 HA ASN 50 -0.878 3.454 -13.333 328 HB2 ASN 50 HB2 ASN 50 0.471 3.573 -10.626 329 HB3 ASN 50 HB3 ASN 50 0.589 4.791 -11.893 330 HD21 ASN 50 HD21 ASN 50 -0.542 4.665 -9.062 331 HD22 ASN 50 HD22 ASN 50 -2.103 5.390 -9.217 332 H CYS 51 H CYS 51 0.933 1.113 -11.405 333 HA CYS 51 HA CYS 51 3.439 1.342 -12.535 334 HB2 CYS 51 HB2 CYS 51 1.922 -0.882 -11.267 335 HB3 CYS 51 HB3 CYS 51 3.391 -1.300 -12.143 336 H LEU 52 H LEU 52 0.918 -0.970 -13.556 337 HA LEU 52 HA LEU 52 2.237 -1.866 -15.853 338 HB2 LEU 52 HB2 LEU 52 -0.679 -1.759 -15.129 339 HB3 LEU 52 HB3 LEU 52 -0.094 -2.505 -16.615 340 HG LEU 52 HG LEU 52 0.709 -3.381 -13.842 341 HD11 LEU 52 HD11 LEU 52 -0.764 -5.343 -14.351 342 HD12 LEU 52 HD12 LEU 52 -1.415 -4.420 -15.704 343 HD13 LEU 52 HD13 LEU 52 -1.616 -3.828 -14.056 344 HD21 LEU 52 HD21 LEU 52 1.114 -4.605 -16.569 345 HD22 LEU 52 HD22 LEU 52 1.500 -5.390 -15.037 346 HD23 LEU 52 HD23 LEU 52 2.360 -3.928 -15.520 347 H LYS 53 H LYS 53 -0.064 0.780 -15.395 348 HA LYS 53 HA LYS 53 -0.507 1.494 -18.034 349 HB2 LYS 53 HB2 LYS 53 -0.190 3.440 -15.746 350 HB3 LYS 53 HB3 LYS 53 -1.125 3.674 -17.217 351 HG2 LYS 53 HG2 LYS 53 -2.053 1.310 -15.947 352 HG3 LYS 53 HG3 LYS 53 -1.968 2.597 -14.741 353 HD2 LYS 53 HD2 LYS 53 -4.081 2.919 -15.603 354 HD3 LYS 53 HD3 LYS 53 -3.128 4.019 -16.603 355 HE2 LYS 53 HE2 LYS 53 -3.420 1.229 -17.557 356 HE3 LYS 53 HE3 LYS 53 -4.853 2.253 -17.624 357 HZ1 LYS 53 HZ1 LYS 53 -3.858 3.694 -19.106 358 HZ2 LYS 53 HZ2 LYS 53 -3.265 2.199 -19.627 359 HZ3 LYS 53 HZ3 LYS 53 -2.286 3.220 -18.699 360 H SER 54 H SER 54 2.234 2.199 -15.953 361 HA SER 54 HA SER 54 3.453 4.086 -17.709 362 HB2 SER 54 HB2 SER 54 3.897 3.866 -15.225 363 HB3 SER 54 HB3 SER 54 4.845 2.427 -15.600 364 HG SER 54 HG SER 54 6.066 4.425 -15.460 365 H ALA 55 H ALA 55 4.069 0.652 -17.013 366 HA ALA 55 HA ALA 55 6.139 0.364 -18.926 367 HB1 ALA 55 HB1 ALA 55 4.367 -1.685 -17.604 368 HB2 ALA 55 HB2 ALA 55 5.761 -2.074 -18.613 369 HB3 ALA 55 HB3 ALA 55 5.985 -1.189 -17.105 370 H ALA 56 H ALA 56 2.767 0.617 -19.237 371 HA ALA 56 HA ALA 56 2.549 -0.922 -21.672 372 HB1 ALA 56 HB1 ALA 56 0.307 0.753 -21.411 373 HB2 ALA 56 HB2 ALA 56 0.425 -0.966 -21.031 374 HB3 ALA 56 HB3 ALA 56 0.740 0.237 -19.780 375 H GLY 57 H GLY 57 3.036 2.414 -20.751 376 HA2 GLY 57 HA2 GLY 57 2.358 3.651 -23.185 377 HA3 GLY 57 HA3 GLY 57 3.465 4.301 -21.985 378 H SER 58 H SER 58 5.129 1.790 -22.276 379 HA SER 58 HA SER 58 6.715 2.780 -24.508 380 HB2 SER 58 HB2 SER 58 7.627 2.162 -22.166 381 HB3 SER 58 HB3 SER 58 7.491 0.491 -22.713 382 HG SER 58 HG SER 58 8.742 1.346 -24.622 383 H ILE 59 H ILE 59 4.203 0.794 -24.337 384 HA ILE 59 HA ILE 59 5.305 -1.224 -26.170 385 HB ILE 59 HB ILE 59 2.574 -1.348 -24.920 386 HG12 ILE 59 HG12 ILE 59 5.176 -2.372 -23.763 387 HG13 ILE 59 HG13 ILE 59 4.166 -1.101 -23.085 388 HG21 ILE 59 HG21 ILE 59 3.984 -2.934 -26.770 389 HG22 ILE 59 HG22 ILE 59 3.908 -3.852 -25.268 390 HG23 ILE 59 HG23 ILE 59 2.423 -3.269 -26.020 391 HD11 ILE 59 HD11 ILE 59 3.812 -4.035 -23.044 392 HD12 ILE 59 HD12 ILE 59 3.476 -2.829 -21.802 393 HD13 ILE 59 HD13 ILE 59 2.359 -3.041 -23.150 394 H THR 60 H THR 60 4.841 -1.112 -28.262 395 HA THR 60 HA THR 60 2.845 0.821 -29.165 396 HB THR 60 HB THR 60 5.213 0.744 -30.111 397 HG1 THR 60 HG1 THR 60 4.330 1.735 -31.763 398 HG21 THR 60 HG21 THR 60 5.848 -0.911 -31.611 399 HG22 THR 60 HG22 THR 60 4.190 -1.449 -31.876 400 HG23 THR 60 HG23 THR 60 5.012 -1.836 -30.365 401 H LYS 61 H LYS 61 3.457 -2.603 -29.068 402 HA LYS 61 HA LYS 61 1.226 -3.175 -30.859 403 HB2 LYS 61 HB2 LYS 61 3.423 -4.797 -29.635 404 HB3 LYS 61 HB3 LYS 61 1.964 -5.610 -30.187 405 HG2 LYS 61 HG2 LYS 61 2.365 -4.366 -32.403 406 HG3 LYS 61 HG3 LYS 61 3.997 -4.103 -31.783 407 HD2 LYS 61 HD2 LYS 61 4.372 -6.467 -31.602 408 HD3 LYS 61 HD3 LYS 61 2.687 -6.811 -32.003 409 HE2 LYS 61 HE2 LYS 61 2.971 -6.161 -34.236 410 HE3 LYS 61 HE3 LYS 61 4.474 -5.308 -33.889 411 HZ1 LYS 61 HZ1 LYS 61 5.397 -7.169 -34.696 412 HZ2 LYS 61 HZ2 LYS 61 4.024 -8.117 -34.421 413 HZ3 LYS 61 HZ3 LYS 61 5.100 -7.800 -33.154 414 H LEU 62 H LEU 62 1.100 -2.049 -28.004 415 HA LEU 62 HA LEU 62 -0.096 -3.998 -26.350 416 HB2 LEU 62 HB2 LEU 62 0.774 -1.990 -25.389 417 HB3 LEU 62 HB3 LEU 62 -0.292 -0.994 -26.379 418 HG LEU 62 HG LEU 62 -2.214 -2.109 -25.108 419 HD11 LEU 62 HD11 LEU 62 -1.706 -3.707 -23.660 420 HD12 LEU 62 HD12 LEU 62 -0.835 -2.517 -22.693 421 HD13 LEU 62 HD13 LEU 62 0.019 -3.448 -23.923 422 HD21 LEU 62 HD21 LEU 62 -1.037 0.229 -24.785 423 HD22 LEU 62 HD22 LEU 62 -0.557 -0.485 -23.246 424 HD23 LEU 62 HD23 LEU 62 -2.267 -0.344 -23.658 425 H ASN 63 H ASN 63 -2.020 -4.933 -26.479 426 HA ASN 63 HA ASN 63 -4.062 -3.711 -28.203 427 HB2 ASN 63 HB2 ASN 63 -3.593 -6.565 -27.340 428 HB3 ASN 63 HB3 ASN 63 -5.079 -6.045 -28.128 429 HD21 ASN 63 HD21 ASN 63 -5.134 -6.227 -30.243 430 HD22 ASN 63 HD22 ASN 63 -3.765 -6.300 -31.295 431 H THR 64 H THR 64 -5.033 -2.308 -26.765 432 HA THR 64 HA THR 64 -5.694 -2.771 -24.116 433 HB THR 64 HB THR 64 -7.293 -0.981 -24.285 434 HG1 THR 64 HG1 THR 64 -7.050 -0.978 -27.105 435 HG21 THR 64 HG21 THR 64 -5.868 0.716 -24.926 436 HG22 THR 64 HG22 THR 64 -5.276 -0.168 -26.332 437 HG23 THR 64 HG23 THR 64 -4.733 -0.616 -24.716 438 H ASN 65 H ASN 65 -7.200 -3.961 -27.004 439 HA ASN 65 HA ASN 65 -9.735 -4.608 -25.952 440 HB2 ASN 65 HB2 ASN 65 -8.147 -5.407 -28.336 441 HB3 ASN 65 HB3 ASN 65 -9.484 -6.456 -27.874 442 HD21 ASN 65 HD21 ASN 65 -8.836 -4.314 -30.037 443 HD22 ASN 65 HD22 ASN 65 -10.310 -3.417 -30.127 444 H ASN 66 H ASN 66 -6.715 -6.445 -26.171 445 HA ASN 66 HA ASN 66 -7.828 -8.809 -25.000 446 HB2 ASN 66 HB2 ASN 66 -4.987 -7.938 -25.541 447 HB3 ASN 66 HB3 ASN 66 -5.396 -9.497 -24.831 448 HD21 ASN 66 HD21 ASN 66 -4.341 -8.342 -27.533 449 HD22 ASN 66 HD22 ASN 66 -5.193 -9.292 -28.698 450 H ALA 67 H ALA 67 -6.459 -5.885 -23.800 451 HA ALA 67 HA ALA 67 -5.673 -6.872 -21.236 452 HB1 ALA 67 HB1 ALA 67 -4.692 -4.888 -21.115 453 HB2 ALA 67 HB2 ALA 67 -5.423 -4.453 -22.660 454 HB3 ALA 67 HB3 ALA 67 -6.258 -4.078 -21.153 455 H ALA 68 H ALA 68 -8.595 -5.448 -22.574 456 HA ALA 68 HA ALA 68 -9.903 -5.132 -20.045 457 HB1 ALA 68 HB1 ALA 68 -11.137 -3.794 -21.314 458 HB2 ALA 68 HB2 ALA 68 -10.441 -4.471 -22.787 459 HB3 ALA 68 HB3 ALA 68 -11.854 -5.227 -22.051 460 H ALA 69 H ALA 69 -9.957 -7.548 -22.624 461 HA ALA 69 HA ALA 69 -11.936 -9.150 -21.233 462 HB1 ALA 69 HB1 ALA 69 -12.125 -9.103 -23.608 463 HB2 ALA 69 HB2 ALA 69 -10.435 -9.569 -23.811 464 HB3 ALA 69 HB3 ALA 69 -11.594 -10.722 -23.150 465 H LEU 70 H LEU 70 -8.630 -8.726 -21.042 466 HA LEU 70 HA LEU 70 -7.592 -11.290 -20.769 467 HB2 LEU 70 HB2 LEU 70 -5.943 -9.721 -20.760 468 HB3 LEU 70 HB3 LEU 70 -6.866 -8.600 -19.761 469 HG LEU 70 HG LEU 70 -6.346 -9.981 -17.782 470 HD11 LEU 70 HD11 LEU 70 -4.156 -11.476 -18.628 471 HD12 LEU 70 HD12 LEU 70 -5.421 -11.808 -19.812 472 HD13 LEU 70 HD13 LEU 70 -5.723 -12.088 -18.097 473 HD21 LEU 70 HD21 LEU 70 -3.668 -9.497 -18.893 474 HD22 LEU 70 HD22 LEU 70 -4.426 -8.864 -17.432 475 HD23 LEU 70 HD23 LEU 70 -4.784 -8.136 -18.999 476 HA PRO 71 HA PRO 71 -8.607 -11.107 -16.050 477 HB2 PRO 71 HB2 PRO 71 -10.216 -9.094 -15.196 478 HB3 PRO 71 HB3 PRO 71 -8.455 -8.951 -15.269 479 HG2 PRO 71 HG2 PRO 71 -10.516 -7.966 -17.203 480 HG3 PRO 71 HG3 PRO 71 -9.063 -7.146 -16.602 481 HD2 PRO 71 HD2 PRO 71 -9.162 -8.346 -19.028 482 HD3 PRO 71 HD3 PRO 71 -7.675 -8.268 -18.061 483 H GLY 72 H GLY 72 -11.036 -10.115 -18.377 484 HA2 GLY 72 HA2 GLY 72 -13.268 -11.215 -16.968 485 HA3 GLY 72 HA3 GLY 72 -13.243 -10.721 -18.654 486 H LYS 73 H LYS 73 -11.406 -12.331 -19.792 487 HA LYS 73 HA LYS 73 -12.799 -14.758 -20.105 488 HB2 LYS 73 HB2 LYS 73 -10.006 -13.957 -20.931 489 HB3 LYS 73 HB3 LYS 73 -10.777 -15.459 -21.421 490 HG2 LYS 73 HG2 LYS 73 -12.103 -12.835 -21.956 491 HG3 LYS 73 HG3 LYS 73 -10.824 -13.431 -23.016 492 HD2 LYS 73 HD2 LYS 73 -12.083 -15.451 -23.456 493 HD3 LYS 73 HD3 LYS 73 -13.330 -14.958 -22.308 494 HE2 LYS 73 HE2 LYS 73 -14.009 -13.154 -23.690 495 HE3 LYS 73 HE3 LYS 73 -12.593 -13.324 -24.725 496 HZ1 LYS 73 HZ1 LYS 73 -15.031 -14.392 -25.214 497 HZ2 LYS 73 HZ2 LYS 73 -14.188 -15.709 -24.569 498 HZ3 LYS 73 HZ3 LYS 73 -13.583 -14.901 -25.927 499 H CYS 74 H CYS 74 -10.299 -13.781 -17.931 500 HA CYS 74 HA CYS 74 -9.550 -16.494 -17.235 501 HB2 CYS 74 HB2 CYS 74 -8.723 -13.795 -16.162 502 HB3 CYS 74 HB3 CYS 74 -8.145 -15.316 -15.488 503 H GLY 75 H GLY 75 -12.237 -14.853 -16.671 504 HA2 GLY 75 HA2 GLY 75 -13.917 -15.039 -15.117 505 HA3 GLY 75 HA3 GLY 75 -13.043 -16.420 -14.471 506 H VAL 76 H VAL 76 -12.995 -12.865 -14.483 507 HA VAL 76 HA VAL 76 -12.337 -12.951 -11.623 508 HB VAL 76 HB VAL 76 -11.034 -10.993 -13.511 509 HG11 VAL 76 HG11 VAL 76 -10.569 -9.942 -11.605 510 HG12 VAL 76 HG12 VAL 76 -11.189 -11.282 -10.638 511 HG13 VAL 76 HG13 VAL 76 -9.518 -11.300 -11.204 512 HG21 VAL 76 HG21 VAL 76 -10.279 -13.267 -14.030 513 HG22 VAL 76 HG22 VAL 76 -8.992 -12.305 -13.303 514 HG23 VAL 76 HG23 VAL 76 -9.848 -13.507 -12.337 515 H ASN 77 H ASN 77 -13.085 -11.191 -10.406 516 HA ASN 77 HA ASN 77 -15.290 -9.746 -11.669 517 HB2 ASN 77 HB2 ASN 77 -14.588 -9.884 -8.731 518 HB3 ASN 77 HB3 ASN 77 -16.103 -9.328 -9.438 519 HD21 ASN 77 HD21 ASN 77 -15.862 -11.340 -7.483 520 HD22 ASN 77 HD22 ASN 77 -16.417 -12.823 -8.173 521 H ILE 78 H ILE 78 -14.416 -8.014 -12.708 522 HA ILE 78 HA ILE 78 -13.041 -6.043 -11.009 523 HB ILE 78 HB ILE 78 -12.376 -6.653 -13.892 524 HG12 ILE 78 HG12 ILE 78 -10.776 -7.050 -11.353 525 HG13 ILE 78 HG13 ILE 78 -11.492 -8.327 -12.331 526 HG21 ILE 78 HG21 ILE 78 -10.463 -4.974 -12.635 527 HG22 ILE 78 HG22 ILE 78 -11.497 -4.622 -14.019 528 HG23 ILE 78 HG23 ILE 78 -12.061 -4.271 -12.386 529 HD11 ILE 78 HD11 ILE 78 -9.952 -6.934 -14.135 530 HD12 ILE 78 HD12 ILE 78 -8.986 -6.913 -12.659 531 HD13 ILE 78 HD13 ILE 78 -9.521 -8.448 -13.341 532 HA PRO 79 HA PRO 79 -16.794 -4.113 -12.854 533 HB2 PRO 79 HB2 PRO 79 -17.378 -2.641 -10.649 534 HB3 PRO 79 HB3 PRO 79 -17.900 -4.318 -10.850 535 HG2 PRO 79 HG2 PRO 79 -15.576 -3.230 -9.308 536 HG3 PRO 79 HG3 PRO 79 -16.730 -4.495 -8.848 537 HD2 PRO 79 HD2 PRO 79 -14.251 -5.054 -9.781 538 HD3 PRO 79 HD3 PRO 79 -15.646 -6.109 -10.085 539 H TYR 80 H TYR 80 -13.756 -3.088 -11.818 540 HA TYR 80 HA TYR 80 -14.118 -0.263 -12.064 541 HB2 TYR 80 HB2 TYR 80 -11.793 -2.103 -11.746 542 HB3 TYR 80 HB3 TYR 80 -11.485 -0.477 -12.345 543 HD1 TYR 80 HD1 TYR 80 -12.330 -2.497 -9.459 544 HD2 TYR 80 HD2 TYR 80 -12.064 1.486 -10.932 545 HE1 TYR 80 HE1 TYR 80 -12.374 -1.647 -7.151 546 HE2 TYR 80 HE2 TYR 80 -12.105 2.347 -8.628 547 HH TYR 80 HH TYR 80 -12.796 1.681 -6.427 548 H LYS 81 H LYS 81 -12.791 1.005 -13.679 549 HA LYS 81 HA LYS 81 -13.489 0.085 -16.335 550 HB2 LYS 81 HB2 LYS 81 -12.149 2.668 -15.521 551 HB3 LYS 81 HB3 LYS 81 -12.915 2.320 -17.065 552 HG2 LYS 81 HG2 LYS 81 -15.040 1.924 -15.631 553 HG3 LYS 81 HG3 LYS 81 -14.169 2.853 -14.409 554 HD2 LYS 81 HD2 LYS 81 -13.819 4.612 -16.204 555 HD3 LYS 81 HD3 LYS 81 -15.000 3.723 -17.168 556 HE2 LYS 81 HE2 LYS 81 -16.731 4.161 -15.660 557 HE3 LYS 81 HE3 LYS 81 -15.616 4.588 -14.363 558 HZ1 LYS 81 HZ1 LYS 81 -16.905 6.378 -15.850 559 HZ2 LYS 81 HZ2 LYS 81 -15.474 6.244 -16.742 560 HZ3 LYS 81 HZ3 LYS 81 -15.415 6.685 -15.110 561 H ILE 82 H ILE 82 -12.125 -0.665 -17.845 562 HA ILE 82 HA ILE 82 -9.356 -1.112 -17.077 563 HB ILE 82 HB ILE 82 -11.180 -2.240 -19.134 564 HG12 ILE 82 HG12 ILE 82 -10.663 -3.303 -16.908 565 HG13 ILE 82 HG13 ILE 82 -10.352 -4.329 -18.304 566 HG21 ILE 82 HG21 ILE 82 -9.194 -3.278 -20.278 567 HG22 ILE 82 HG22 ILE 82 -9.431 -1.558 -20.584 568 HG23 ILE 82 HG23 ILE 82 -8.191 -2.088 -19.448 569 HD11 ILE 82 HD11 ILE 82 -8.612 -3.742 -16.221 570 HD12 ILE 82 HD12 ILE 82 -8.229 -4.566 -17.733 571 HD13 ILE 82 HD13 ILE 82 -8.006 -2.822 -17.597 572 H SER 83 H SER 83 -11.188 0.999 -19.072 573 HA SER 83 HA SER 83 -9.602 1.683 -21.161 574 HB2 SER 83 HB2 SER 83 -10.772 3.851 -19.431 575 HB3 SER 83 HB3 SER 83 -10.648 3.790 -21.189 576 HG SER 83 HG SER 83 -12.738 3.195 -19.855 577 H THR 84 H THR 84 -7.563 2.284 -21.410 578 HA THR 84 HA THR 84 -5.763 2.642 -19.309 579 HB THR 84 HB THR 84 -4.205 3.562 -21.038 580 HG1 THR 84 HG1 THR 84 -5.226 3.245 -23.270 581 HG21 THR 84 HG21 THR 84 -5.348 0.974 -20.860 582 HG22 THR 84 HG22 THR 84 -3.742 1.421 -21.434 583 HG23 THR 84 HG23 THR 84 -5.089 1.324 -22.568 584 H THR 85 H THR 85 -7.962 4.851 -20.734 585 HA THR 85 HA THR 85 -6.545 7.237 -19.947 586 HB THR 85 HB THR 85 -8.080 7.183 -21.917 587 HG1 THR 85 HG1 THR 85 -8.631 9.018 -19.809 588 HG21 THR 85 HG21 THR 85 -10.438 7.146 -21.655 589 HG22 THR 85 HG22 THR 85 -10.316 7.252 -19.899 590 HG23 THR 85 HG23 THR 85 -9.822 5.778 -20.730 591 H THR 86 H THR 86 -8.228 4.944 -18.268 592 HA THR 86 HA THR 86 -9.706 6.620 -16.472 593 HB THR 86 HB THR 86 -8.888 3.718 -16.259 594 HG1 THR 86 HG1 THR 86 -11.256 5.067 -17.061 595 HG21 THR 86 HG21 THR 86 -10.786 3.722 -14.520 596 HG22 THR 86 HG22 THR 86 -10.520 5.464 -14.441 597 HG23 THR 86 HG23 THR 86 -9.214 4.353 -14.030 598 H ASN 87 H ASN 87 -9.179 7.281 -14.418 599 HA ASN 87 HA ASN 87 -6.329 7.333 -13.813 600 HB2 ASN 87 HB2 ASN 87 -8.074 9.326 -13.710 601 HB3 ASN 87 HB3 ASN 87 -8.355 8.693 -12.091 602 HD21 ASN 87 HD21 ASN 87 -7.543 10.708 -11.319 603 HD22 ASN 87 HD22 ASN 87 -5.839 10.983 -11.228 604 H CYS 88 H CYS 88 -5.578 5.641 -12.713 605 HA CYS 88 HA CYS 88 -7.192 4.037 -10.997 606 HB2 CYS 88 HB2 CYS 88 -4.180 4.058 -11.013 607 HB3 CYS 88 HB3 CYS 88 -5.262 2.714 -10.660 608 H ASN 89 H ASN 89 -5.788 7.024 -10.557 609 HA ASN 89 HA ASN 89 -5.000 6.739 -7.808 610 HB2 ASN 89 HB2 ASN 89 -5.424 9.167 -9.559 611 HB3 ASN 89 HB3 ASN 89 -4.857 9.251 -7.893 612 HD21 ASN 89 HD21 ASN 89 -3.472 10.164 -10.200 613 HD22 ASN 89 HD22 ASN 89 -2.010 9.252 -10.321 614 H THR 90 H THR 90 -7.929 7.345 -9.494 615 HA THR 90 HA THR 90 -9.251 8.506 -7.173 616 HB THR 90 HB THR 90 -11.214 8.726 -8.596 617 HG1 THR 90 HG1 THR 90 -10.937 8.062 -10.862 618 HG21 THR 90 HG21 THR 90 -9.682 10.535 -8.796 619 HG22 THR 90 HG22 THR 90 -10.197 10.131 -10.433 620 HG23 THR 90 HG23 THR 90 -8.619 9.605 -9.850 621 H VAL 91 H VAL 91 -8.299 5.542 -7.746 622 HA VAL 91 HA VAL 91 -10.805 4.142 -7.237 623 HB VAL 91 HB VAL 91 -9.695 2.140 -7.690 624 HG11 VAL 91 HG11 VAL 91 -8.428 2.527 -9.759 625 HG12 VAL 91 HG12 VAL 91 -9.892 3.509 -9.687 626 HG13 VAL 91 HG13 VAL 91 -8.320 4.241 -9.361 627 HG21 VAL 91 HG21 VAL 91 -7.823 1.865 -6.470 628 HG22 VAL 91 HG22 VAL 91 -7.013 2.432 -7.931 629 HG23 VAL 91 HG23 VAL 91 -7.353 3.559 -6.617 630 H LYS 92 H LYS 92 -9.211 5.952 -5.304 631 HA LYS 92 HA LYS 92 -8.360 4.242 -3.185 632 HB2 LYS 92 HB2 LYS 92 -7.405 6.431 -3.311 633 HB3 LYS 92 HB3 LYS 92 -8.991 7.191 -3.308 634 HG2 LYS 92 HG2 LYS 92 -8.690 5.578 -0.961 635 HG3 LYS 92 HG3 LYS 92 -7.319 6.680 -1.117 636 HD2 LYS 92 HD2 LYS 92 -10.036 7.782 -1.592 637 HD3 LYS 92 HD3 LYS 92 -9.588 7.396 0.071 638 HE2 LYS 92 HE2 LYS 92 -8.921 9.606 -0.137 639 HE3 LYS 92 HE3 LYS 92 -7.430 8.721 -0.457 640 HZ1 LYS 92 HZ1 LYS 92 -7.336 9.529 -2.510 641 HZ2 LYS 92 HZ2 LYS 92 -8.551 10.618 -2.064 642 HZ3 LYS 92 HZ3 LYS 92 -8.957 9.166 -2.831 643 H PHE 93 H PHE 93 -9.678 3.036 -2.004 644 HA PHE 93 HA PHE 93 -12.490 3.554 -1.834 645 HB2 PHE 93 HB2 PHE 93 -11.868 1.267 -1.856 646 HB3 PHE 93 HB3 PHE 93 -10.678 1.499 -0.578 647 HD1 PHE 93 HD1 PHE 93 -11.273 0.364 1.318 648 HD2 PHE 93 HD2 PHE 93 -14.298 2.342 -0.930 649 HE1 PHE 93 HE1 PHE 93 -12.947 -0.296 2.996 650 HE2 PHE 93 HE2 PHE 93 -15.977 1.685 0.745 651 HZ PHE 93 HZ PHE 93 -15.302 0.365 2.711 652 HC11 PGM 101 H11 PPG 103 9.446 -1.384 -20.310 653 HC12 PGM 101 H12 PPG 103 8.751 0.085 -20.520 654 HO1 PGM 101 H1 PPG 103 11.301 -0.720 -21.362 655 HC2 PGM 101 H2A PPG 103 11.157 -0.075 -18.876 656 HO2 PGM 101 H2 PPG 103 10.004 1.905 -19.749 657 HC31 PGM 101 H31 PPG 103 8.351 -0.560 -18.153 658 HC32 PGM 101 H32 PPG 103 9.463 -0.153 -17.018 659 HC71 PGM 101 H91 PPG 103 8.271 -4.963 -18.137 660 HC72 PGM 101 H92 PPG 103 8.673 -3.644 -18.998 661 HC8 PGM 101 H10A PPG 103 7.318 -5.078 -20.324 662 HO8 PGM 101 H10 PPG 103 5.405 -3.479 -20.504 663 HC91 PGM 101 H111 PPG 103 5.495 -4.708 -18.065 664 HC92 PGM 101 H112 PPG 103 5.923 -6.138 -18.714 665 HCB1 PGM 101 H151 PPG 103 1.455 -5.195 -19.556 666 HCB2 PGM 101 H152 PPG 103 2.293 -4.970 -20.937 667 HCC1 PGM 101 H161 PPG 103 1.108 -3.068 -21.074 668 HCC2 PGM 101 H162 PPG 103 2.186 -2.499 -19.990 669 HCD1 PGM 101 H171 PPG 103 0.289 -2.180 -18.806 670 HCD2 PGM 101 H172 PPG 103 0.671 -3.685 -18.322 671 HCE1 PGM 101 H181 PPG 103 -1.141 -4.521 -19.206 672 HCE2 PGM 101 H182 PPG 103 -0.880 -3.751 -20.616 673 HCF1 PGM 101 H191 PPG 103 -2.325 -2.205 -20.175 674 HCF2 PGM 101 H192 PPG 103 -1.838 -2.076 -18.626 675 HCG1 PGM 101 H201 PPG 103 -3.212 -4.104 -18.226 676 HCG2 PGM 101 H202 PPG 103 -3.900 -3.747 -19.656 677 HCH1 PGM 101 H211 PPG 103 -4.911 -1.872 -18.836 678 HCH2 PGM 101 H212 PPG 103 -3.873 -1.765 -17.578 679 HCI1 PGM 101 H221 PPG 103 -4.803 -4.085 -17.007 680 HCI2 PGM 101 H222 PPG 103 -6.089 -3.569 -17.878 681 HCJ1 PGM 101 H231 PPG 103 -6.547 -3.071 -15.666 682 HCJ2 PGM 101 H232 PPG 103 -6.215 -1.648 -16.403 683 HCK1 PGM 101 H241 PPG 103 -4.927 -1.370 -14.611 684 HCK2 PGM 101 H242 PPG 103 -3.848 -2.183 -15.527 685 HCL1 PGM 101 H251 PPG 103 -3.801 -3.456 -13.628 686 HCL2 PGM 101 H252 PPG 103 -4.961 -4.248 -14.466 687 HCM1 PGM 101 H261 PPG 103 -6.493 -2.437 -13.421 688 HCM2 PGM 101 H262 PPG 103 -5.332 -2.396 -12.278 689 HCN1 PGM 101 H271 PPG 103 -6.374 -4.932 -13.160 690 HCN2 PGM 101 H272 PPG 103 -7.143 -4.128 -11.971 691 HCO1 PGM 101 H281 PPG 103 -5.699 -5.120 -10.634 692 HCO2 PGM 101 H282 PPG 103 -4.674 -3.946 -11.140 693 HCP1 PGM 101 H291 PPG 103 -3.576 -6.018 -11.094 694 HCP2 PGM 101 H292 PPG 103 -4.681 -6.639 -12.123 695 HCP3 PGM 101 H293 PPG 103 -3.667 -5.472 -12.634 Start of MODEL 10 1 H ALA 1 H ALA 1 3.151 -1.392 1.695 2 HA ALA 1 HA ALA 1 2.409 -0.632 -1.020 3 HB1 ALA 1 HB1 ALA 1 4.685 -0.146 0.746 4 HB2 ALA 1 HB2 ALA 1 5.138 -0.491 -0.924 5 HB3 ALA 1 HB3 ALA 1 4.035 0.837 -0.566 6 H ILE 2 H ILE 2 2.284 -2.125 -2.550 7 HA ILE 2 HA ILE 2 3.379 -4.750 -2.213 8 HB ILE 2 HB ILE 2 2.418 -5.272 -4.360 9 HG12 ILE 2 HG12 ILE 2 1.914 -2.301 -4.636 10 HG13 ILE 2 HG13 ILE 2 3.091 -3.233 -5.555 11 HG21 ILE 2 HG21 ILE 2 0.335 -5.305 -3.553 12 HG22 ILE 2 HG22 ILE 2 0.997 -4.442 -2.165 13 HG23 ILE 2 HG23 ILE 2 0.241 -3.545 -3.481 14 HD11 ILE 2 HD11 ILE 2 1.046 -2.759 -6.822 15 HD12 ILE 2 HD12 ILE 2 1.321 -4.488 -6.609 16 HD13 ILE 2 HD13 ILE 2 0.114 -3.659 -5.627 17 H SER 3 H SER 3 4.320 -5.558 -4.590 18 HA SER 3 HA SER 3 6.774 -3.964 -4.916 19 HB2 SER 3 HB2 SER 3 6.544 -6.856 -5.702 20 HB3 SER 3 HB3 SER 3 7.987 -5.934 -5.279 21 HG SER 3 HG SER 3 6.686 -5.779 -3.134 22 H CYS 4 H CYS 4 6.666 -2.753 -6.689 23 HA CYS 4 HA CYS 4 4.965 -3.038 -8.841 24 HB2 CYS 4 HB2 CYS 4 6.457 -1.055 -8.244 25 HB3 CYS 4 HB3 CYS 4 7.747 -1.899 -9.094 26 H GLY 5 H GLY 5 8.255 -4.307 -8.458 27 HA2 GLY 5 HA2 GLY 5 8.637 -5.338 -11.012 28 HA3 GLY 5 HA3 GLY 5 9.353 -6.001 -9.550 29 H ALA 6 H ALA 6 6.647 -6.541 -8.421 30 HA ALA 6 HA ALA 6 6.308 -9.143 -9.654 31 HB1 ALA 6 HB1 ALA 6 5.112 -9.763 -7.752 32 HB2 ALA 6 HB2 ALA 6 6.330 -8.646 -7.135 33 HB3 ALA 6 HB3 ALA 6 4.670 -8.098 -7.371 34 H VAL 7 H VAL 7 4.846 -6.055 -9.802 35 HA VAL 7 HA VAL 7 2.204 -6.859 -10.498 36 HB VAL 7 HB VAL 7 3.615 -4.264 -11.136 37 HG11 VAL 7 HG11 VAL 7 1.134 -5.244 -12.003 38 HG12 VAL 7 HG12 VAL 7 0.780 -4.061 -10.741 39 HG13 VAL 7 HG13 VAL 7 1.750 -3.597 -12.140 40 HG21 VAL 7 HG21 VAL 7 3.472 -4.962 -8.694 41 HG22 VAL 7 HG22 VAL 7 2.791 -3.390 -9.111 42 HG23 VAL 7 HG23 VAL 7 1.726 -4.772 -8.854 43 H THR 8 H THR 8 4.940 -5.666 -12.447 44 HA THR 8 HA THR 8 3.619 -6.186 -14.930 45 HB THR 8 HB THR 8 5.738 -5.615 -15.989 46 HG1 THR 8 HG1 THR 8 6.732 -5.832 -13.337 47 HG21 THR 8 HG21 THR 8 4.182 -3.913 -14.586 48 HG22 THR 8 HG22 THR 8 5.575 -3.402 -15.539 49 HG23 THR 8 HG23 THR 8 5.734 -3.637 -13.799 50 H SER 9 H SER 9 5.983 -7.882 -12.947 51 HA SER 9 HA SER 9 6.710 -9.859 -14.810 52 HB2 SER 9 HB2 SER 9 6.780 -9.698 -11.810 53 HB3 SER 9 HB3 SER 9 7.208 -11.199 -12.631 54 HG SER 9 HG SER 9 9.067 -9.998 -12.363 55 H ASP 10 H ASP 10 4.068 -9.664 -12.487 56 HA ASP 10 HA ASP 10 3.154 -12.307 -12.681 57 HB2 ASP 10 HB2 ASP 10 1.896 -9.707 -11.893 58 HB3 ASP 10 HB3 ASP 10 0.876 -11.129 -12.098 59 H LEU 11 H LEU 11 3.018 -9.720 -14.915 60 HA LEU 11 HA LEU 11 0.930 -11.067 -16.483 61 HB2 LEU 11 HB2 LEU 11 2.021 -8.268 -16.539 62 HB3 LEU 11 HB3 LEU 11 1.010 -8.911 -17.830 63 HG LEU 11 HG LEU 11 0.235 -8.430 -14.959 64 HD11 LEU 11 HD11 LEU 11 0.202 -6.442 -16.317 65 HD12 LEU 11 HD12 LEU 11 -1.454 -6.963 -16.010 66 HD13 LEU 11 HD13 LEU 11 -0.709 -7.274 -17.578 67 HD21 LEU 11 HD21 LEU 11 -0.857 -10.284 -16.926 68 HD22 LEU 11 HD22 LEU 11 -2.049 -9.142 -16.305 69 HD23 LEU 11 HD23 LEU 11 -1.148 -10.169 -15.190 70 H SER 12 H SER 12 3.965 -11.586 -16.193 71 HA SER 12 HA SER 12 5.291 -11.006 -18.561 72 HB2 SER 12 HB2 SER 12 6.786 -11.954 -17.137 73 HB3 SER 12 HB3 SER 12 5.576 -13.012 -16.412 74 HG SER 12 HG SER 12 6.874 -14.357 -17.533 75 HA PRO 13 HA PRO 13 3.706 -15.178 -20.407 76 HB2 PRO 13 HB2 PRO 13 1.753 -16.485 -19.046 77 HB3 PRO 13 HB3 PRO 13 3.475 -16.761 -18.757 78 HG2 PRO 13 HG2 PRO 13 1.545 -15.067 -17.219 79 HG3 PRO 13 HG3 PRO 13 2.795 -16.169 -16.614 80 HD2 PRO 13 HD2 PRO 13 3.144 -13.486 -16.716 81 HD3 PRO 13 HD3 PRO 13 4.482 -14.632 -16.932 82 H CYS 14 H CYS 14 1.724 -12.777 -18.986 83 HA CYS 14 HA CYS 14 -0.566 -13.325 -20.691 84 HB2 CYS 14 HB2 CYS 14 -0.067 -11.066 -18.740 85 HB3 CYS 14 HB3 CYS 14 -1.589 -11.388 -19.565 86 H LEU 15 H LEU 15 2.179 -11.184 -20.533 87 HA LEU 15 HA LEU 15 1.513 -9.071 -22.106 88 HB2 LEU 15 HB2 LEU 15 3.785 -9.799 -21.073 89 HB3 LEU 15 HB3 LEU 15 4.071 -10.520 -22.655 90 HG LEU 15 HG LEU 15 3.875 -8.335 -23.708 91 HD11 LEU 15 HD11 LEU 15 4.015 -6.485 -21.681 92 HD12 LEU 15 HD12 LEU 15 2.791 -7.615 -21.105 93 HD13 LEU 15 HD13 LEU 15 2.598 -6.830 -22.673 94 HD21 LEU 15 HD21 LEU 15 6.030 -7.918 -23.316 95 HD22 LEU 15 HD22 LEU 15 5.960 -9.229 -22.139 96 HD23 LEU 15 HD23 LEU 15 5.736 -7.560 -21.615 97 H THR 16 H THR 16 2.269 -12.343 -23.196 98 HA THR 16 HA THR 16 2.388 -11.926 -25.935 99 HB THR 16 HB THR 16 1.279 -14.321 -24.460 100 HG1 THR 16 HG1 THR 16 3.863 -13.678 -25.474 101 HG21 THR 16 HG21 THR 16 2.424 -15.037 -26.946 102 HG22 THR 16 HG22 THR 16 1.292 -13.720 -27.253 103 HG23 THR 16 HG23 THR 16 0.742 -15.185 -26.440 104 H TYR 17 H TYR 17 -0.477 -13.121 -24.169 105 HA TYR 17 HA TYR 17 -2.255 -12.736 -26.317 106 HB2 TYR 17 HB2 TYR 17 -2.899 -14.257 -24.606 107 HB3 TYR 17 HB3 TYR 17 -2.692 -13.044 -23.348 108 HD1 TYR 17 HD1 TYR 17 -4.603 -12.094 -22.481 109 HD2 TYR 17 HD2 TYR 17 -4.673 -13.535 -26.484 110 HE1 TYR 17 HE1 TYR 17 -6.988 -11.515 -22.641 111 HE2 TYR 17 HE2 TYR 17 -7.058 -12.959 -26.656 112 HH TYR 17 HH TYR 17 -9.017 -12.499 -24.230 113 H LEU 18 H LEU 18 -1.190 -10.639 -23.725 114 HA LEU 18 HA LEU 18 -3.189 -8.643 -24.088 115 HB2 LEU 18 HB2 LEU 18 -0.469 -8.558 -22.798 116 HB3 LEU 18 HB3 LEU 18 -1.607 -7.213 -22.776 117 HG LEU 18 HG LEU 18 -1.943 -9.908 -21.466 118 HD11 LEU 18 HD11 LEU 18 -0.501 -8.455 -20.217 119 HD12 LEU 18 HD12 LEU 18 -2.070 -8.514 -19.415 120 HD13 LEU 18 HD13 LEU 18 -1.630 -7.111 -20.389 121 HD21 LEU 18 HD21 LEU 18 -3.981 -8.243 -20.608 122 HD22 LEU 18 HD22 LEU 18 -4.136 -9.610 -21.711 123 HD23 LEU 18 HD23 LEU 18 -3.919 -7.980 -22.351 124 H THR 19 H THR 19 -0.357 -9.484 -25.798 125 HA THR 19 HA THR 19 -0.198 -6.845 -27.074 126 HB THR 19 HB THR 19 1.901 -7.745 -28.121 127 HG1 THR 19 HG1 THR 19 2.743 -9.653 -26.962 128 HG21 THR 19 HG21 THR 19 2.737 -8.101 -25.437 129 HG22 THR 19 HG22 THR 19 1.433 -6.913 -25.432 130 HG23 THR 19 HG23 THR 19 2.861 -6.653 -26.434 131 H GLY 20 H GLY 20 -2.298 -8.938 -27.548 132 HA2 GLY 20 HA2 GLY 20 -3.559 -9.217 -29.519 133 HA3 GLY 20 HA3 GLY 20 -2.118 -8.870 -30.463 134 H GLY 21 H GLY 21 -0.879 -10.919 -28.380 135 HA2 GLY 21 HA2 GLY 21 -0.838 -13.101 -30.189 136 HA3 GLY 21 HA3 GLY 21 -0.210 -13.111 -28.548 137 HA PRO 22 HA PRO 22 -4.039 -15.825 -28.936 138 HB2 PRO 22 HB2 PRO 22 -2.822 -18.168 -28.305 139 HB3 PRO 22 HB3 PRO 22 -2.951 -17.568 -29.963 140 HG2 PRO 22 HG2 PRO 22 -0.639 -17.414 -28.068 141 HG3 PRO 22 HG3 PRO 22 -0.644 -17.807 -29.797 142 HD2 PRO 22 HD2 PRO 22 0.032 -15.358 -28.862 143 HD3 PRO 22 HD3 PRO 22 -0.769 -15.594 -30.428 144 H GLY 23 H GLY 23 -5.218 -16.614 -27.191 145 HA2 GLY 23 HA2 GLY 23 -4.704 -17.552 -24.799 146 HA3 GLY 23 HA3 GLY 23 -4.116 -15.912 -24.568 147 HA PRO 24 HA PRO 24 -4.547 -15.256 -22.750 148 HB2 PRO 24 HB2 PRO 24 -5.777 -15.615 -20.356 149 HB3 PRO 24 HB3 PRO 24 -5.826 -14.086 -21.241 150 HG2 PRO 24 HG2 PRO 24 -7.881 -16.258 -21.099 151 HG3 PRO 24 HG3 PRO 24 -8.103 -14.500 -21.023 152 HD2 PRO 24 HD2 PRO 24 -8.555 -15.929 -23.278 153 HD3 PRO 24 HD3 PRO 24 -7.962 -14.257 -23.311 154 H SER 25 H SER 25 -3.110 -16.800 -22.299 155 HA SER 25 HA SER 25 -3.748 -19.548 -22.457 156 HB2 SER 25 HB2 SER 25 -1.312 -19.632 -21.338 157 HB3 SER 25 HB3 SER 25 -1.556 -19.246 -23.042 158 HG SER 25 HG SER 25 -0.187 -17.771 -21.750 159 HA PRO 26 HA PRO 26 -4.734 -20.748 -18.355 160 HB2 PRO 26 HB2 PRO 26 -3.334 -23.051 -18.031 161 HB3 PRO 26 HB3 PRO 26 -4.751 -22.928 -19.081 162 HG2 PRO 26 HG2 PRO 26 -1.846 -22.848 -19.801 163 HG3 PRO 26 HG3 PRO 26 -3.177 -23.695 -20.611 164 HD2 PRO 26 HD2 PRO 26 -2.186 -21.341 -21.510 165 HD3 PRO 26 HD3 PRO 26 -3.892 -21.792 -21.698 166 H GLN 27 H GLN 27 -1.292 -20.656 -19.114 167 HA GLN 27 HA GLN 27 -0.451 -20.656 -16.373 168 HB2 GLN 27 HB2 GLN 27 1.088 -19.860 -18.849 169 HB3 GLN 27 HB3 GLN 27 1.775 -20.200 -17.267 170 HG2 GLN 27 HG2 GLN 27 1.097 -22.508 -17.421 171 HG3 GLN 27 HG3 GLN 27 0.276 -22.194 -18.949 172 HE21 GLN 27 HE21 GLN 27 1.595 -21.538 -20.763 173 HE22 GLN 27 HE22 GLN 27 3.223 -22.104 -20.878 174 H CYS 28 H CYS 28 -1.338 -18.253 -18.721 175 HA CYS 28 HA CYS 28 -0.144 -16.025 -17.405 176 HB2 CYS 28 HB2 CYS 28 -0.578 -15.467 -19.581 177 HB3 CYS 28 HB3 CYS 28 -2.052 -16.428 -19.647 178 H CYS 29 H CYS 29 -3.498 -17.215 -17.579 179 HA CYS 29 HA CYS 29 -4.723 -15.355 -15.957 180 HB2 CYS 29 HB2 CYS 29 -5.257 -18.206 -16.626 181 HB3 CYS 29 HB3 CYS 29 -6.144 -17.513 -15.272 182 H GLY 30 H GLY 30 -2.747 -18.109 -15.047 183 HA2 GLY 30 HA2 GLY 30 -3.355 -18.328 -12.349 184 HA3 GLY 30 HA3 GLY 30 -1.779 -18.677 -13.045 185 H GLY 31 H GLY 31 -1.049 -16.131 -13.920 186 HA2 GLY 31 HA2 GLY 31 -0.170 -14.993 -11.439 187 HA3 GLY 31 HA3 GLY 31 0.192 -14.390 -13.049 188 H VAL 32 H VAL 32 -2.438 -13.999 -13.970 189 HA VAL 32 HA VAL 32 -2.974 -11.415 -13.183 190 HB VAL 32 HB VAL 32 -4.969 -13.432 -14.222 191 HG11 VAL 32 HG11 VAL 32 -5.070 -10.417 -14.245 192 HG12 VAL 32 HG12 VAL 32 -6.255 -11.503 -14.974 193 HG13 VAL 32 HG13 VAL 32 -6.046 -11.472 -13.223 194 HG21 VAL 32 HG21 VAL 32 -4.372 -12.809 -16.389 195 HG22 VAL 32 HG22 VAL 32 -3.538 -11.354 -15.844 196 HG23 VAL 32 HG23 VAL 32 -2.825 -12.941 -15.554 197 H LYS 33 H LYS 33 -4.472 -14.403 -11.983 198 HA LYS 33 HA LYS 33 -6.272 -13.176 -10.202 199 HB2 LYS 33 HB2 LYS 33 -5.009 -15.921 -10.091 200 HB3 LYS 33 HB3 LYS 33 -6.373 -15.404 -9.108 201 HG2 LYS 33 HG2 LYS 33 -7.843 -15.583 -10.809 202 HG3 LYS 33 HG3 LYS 33 -6.670 -15.066 -12.023 203 HD2 LYS 33 HD2 LYS 33 -5.625 -17.246 -11.994 204 HD3 LYS 33 HD3 LYS 33 -6.683 -17.770 -10.682 205 HE2 LYS 33 HE2 LYS 33 -8.503 -16.958 -12.517 206 HE3 LYS 33 HE3 LYS 33 -7.210 -17.534 -13.568 207 HZ1 LYS 33 HZ1 LYS 33 -7.300 -19.550 -11.899 208 HZ2 LYS 33 HZ2 LYS 33 -8.328 -19.465 -13.240 209 HZ3 LYS 33 HZ3 LYS 33 -8.898 -19.028 -11.708 210 H LYS 34 H LYS 34 -2.977 -14.394 -9.754 211 HA LYS 34 HA LYS 34 -2.808 -13.968 -6.982 212 HB2 LYS 34 HB2 LYS 34 -1.199 -15.342 -8.219 213 HB3 LYS 34 HB3 LYS 34 -0.611 -13.914 -9.060 214 HG2 LYS 34 HG2 LYS 34 0.622 -13.220 -7.305 215 HG3 LYS 34 HG3 LYS 34 -0.545 -13.801 -6.115 216 HD2 LYS 34 HD2 LYS 34 0.199 -16.117 -6.579 217 HD3 LYS 34 HD3 LYS 34 1.425 -15.474 -7.674 218 HE2 LYS 34 HE2 LYS 34 1.199 -14.988 -4.707 219 HE3 LYS 34 HE3 LYS 34 2.434 -15.935 -5.536 220 HZ1 LYS 34 HZ1 LYS 34 3.457 -13.909 -5.157 221 HZ2 LYS 34 HZ2 LYS 34 2.068 -13.008 -5.502 222 HZ3 LYS 34 HZ3 LYS 34 2.925 -13.753 -6.756 223 H LEU 35 H LEU 35 -2.118 -11.859 -9.729 224 HA LEU 35 HA LEU 35 -1.009 -9.731 -8.229 225 HB2 LEU 35 HB2 LEU 35 -0.565 -9.796 -10.549 226 HB3 LEU 35 HB3 LEU 35 -2.280 -9.884 -10.948 227 HG LEU 35 HG LEU 35 -2.597 -7.580 -10.368 228 HD11 LEU 35 HD11 LEU 35 -1.089 -7.493 -8.445 229 HD12 LEU 35 HD12 LEU 35 -0.784 -6.168 -9.568 230 HD13 LEU 35 HD13 LEU 35 0.300 -7.559 -9.531 231 HD21 LEU 35 HD21 LEU 35 -1.562 -8.234 -12.598 232 HD22 LEU 35 HD22 LEU 35 -0.031 -7.663 -11.932 233 HD23 LEU 35 HD23 LEU 35 -1.390 -6.550 -12.103 234 H LEU 36 H LEU 36 -4.269 -10.209 -9.585 235 HA LEU 36 HA LEU 36 -5.385 -7.859 -8.515 236 HB2 LEU 36 HB2 LEU 36 -6.563 -10.454 -9.453 237 HB3 LEU 36 HB3 LEU 36 -7.573 -9.166 -8.800 238 HG LEU 36 HG LEU 36 -5.775 -8.871 -11.204 239 HD11 LEU 36 HD11 LEU 36 -7.583 -9.256 -12.595 240 HD12 LEU 36 HD12 LEU 36 -8.761 -9.007 -11.306 241 HD13 LEU 36 HD13 LEU 36 -7.795 -10.482 -11.345 242 HD21 LEU 36 HD21 LEU 36 -6.250 -6.796 -9.960 243 HD22 LEU 36 HD22 LEU 36 -7.978 -7.101 -10.146 244 HD23 LEU 36 HD23 LEU 36 -6.976 -6.803 -11.567 245 H ALA 37 H ALA 37 -5.139 -11.145 -7.254 246 HA ALA 37 HA ALA 37 -6.778 -10.786 -4.988 247 HB1 ALA 37 HB1 ALA 37 -5.261 -12.732 -4.108 248 HB2 ALA 37 HB2 ALA 37 -6.393 -13.005 -5.433 249 HB3 ALA 37 HB3 ALA 37 -4.681 -12.753 -5.774 250 H ALA 38 H ALA 38 -3.601 -9.714 -5.713 251 HA ALA 38 HA ALA 38 -2.800 -9.381 -2.950 252 HB1 ALA 38 HB1 ALA 38 -1.026 -7.922 -4.474 253 HB2 ALA 38 HB2 ALA 38 -0.830 -9.602 -3.971 254 HB3 ALA 38 HB3 ALA 38 -1.516 -9.229 -5.553 255 H ALA 39 H ALA 39 -3.994 -7.389 -5.598 256 HA ALA 39 HA ALA 39 -3.671 -4.916 -4.171 257 HB1 ALA 39 HB1 ALA 39 -3.596 -5.058 -6.639 258 HB2 ALA 39 HB2 ALA 39 -5.313 -5.464 -6.640 259 HB3 ALA 39 HB3 ALA 39 -4.779 -3.891 -6.049 260 H ASN 40 H ASN 40 -4.850 -5.958 -2.256 261 HA ASN 40 HA ASN 40 -7.762 -5.771 -2.527 262 HB2 ASN 40 HB2 ASN 40 -6.805 -7.798 -1.458 263 HB3 ASN 40 HB3 ASN 40 -6.119 -6.781 -0.194 264 HD21 ASN 40 HD21 ASN 40 -9.074 -7.998 -1.602 265 HD22 ASN 40 HD22 ASN 40 -10.080 -7.696 -0.229 266 H THR 41 H THR 41 -5.231 -3.806 -1.775 267 HA THR 41 HA THR 41 -6.842 -2.207 0.106 268 HB THR 41 HB THR 41 -4.332 -1.150 0.328 269 HG1 THR 41 HG1 THR 41 -3.841 -3.920 0.425 270 HG21 THR 41 HG21 THR 41 -4.331 -3.045 2.308 271 HG22 THR 41 HG22 THR 41 -6.041 -2.941 1.890 272 HG23 THR 41 HG23 THR 41 -5.165 -1.494 2.386 273 H THR 42 H THR 42 -6.358 0.181 -0.028 274 HA THR 42 HA THR 42 -6.914 1.107 -2.639 275 HB THR 42 HB THR 42 -6.324 2.454 -0.032 276 HG1 THR 42 HG1 THR 42 -8.430 2.538 -0.075 277 HG21 THR 42 HG21 THR 42 -6.879 4.611 -1.437 278 HG22 THR 42 HG22 THR 42 -6.158 3.677 -2.748 279 HG23 THR 42 HG23 THR 42 -5.221 4.028 -1.296 280 HA PRO 43 HA PRO 43 -2.390 2.839 -2.534 281 HB2 PRO 43 HB2 PRO 43 -0.727 1.788 -0.663 282 HB3 PRO 43 HB3 PRO 43 -1.713 3.226 -0.373 283 HG2 PRO 43 HG2 PRO 43 -2.219 0.387 0.433 284 HG3 PRO 43 HG3 PRO 43 -2.443 1.874 1.373 285 HD2 PRO 43 HD2 PRO 43 -4.499 0.590 0.166 286 HD3 PRO 43 HD3 PRO 43 -4.463 2.353 0.371 287 H ASP 44 H ASP 44 -3.338 -0.418 -2.157 288 HA ASP 44 HA ASP 44 -0.921 -1.522 -3.331 289 HB2 ASP 44 HB2 ASP 44 -3.434 -2.653 -2.177 290 HB3 ASP 44 HB3 ASP 44 -2.501 -3.643 -3.297 291 H ARG 45 H ARG 45 -4.240 -0.805 -4.243 292 HA ARG 45 HA ARG 45 -4.088 -2.078 -6.799 293 HB2 ARG 45 HB2 ARG 45 -6.019 0.042 -5.840 294 HB3 ARG 45 HB3 ARG 45 -6.226 -0.994 -7.245 295 HG2 ARG 45 HG2 ARG 45 -5.763 -2.599 -4.918 296 HG3 ARG 45 HG3 ARG 45 -7.081 -1.464 -4.620 297 HD2 ARG 45 HD2 ARG 45 -6.853 -3.465 -6.861 298 HD3 ARG 45 HD3 ARG 45 -8.009 -3.475 -5.530 299 HE ARG 45 HE ARG 45 -8.324 -1.079 -6.924 300 HH11 ARG 45 HH11 ARG 45 -8.751 -4.496 -7.434 301 HH12 ARG 45 HH12 ARG 45 -10.037 -4.297 -8.578 302 HH21 ARG 45 HH21 ARG 45 -10.016 -0.804 -8.429 303 HH22 ARG 45 HH22 ARG 45 -10.755 -2.196 -9.144 304 H GLN 46 H GLN 46 -3.729 1.241 -5.631 305 HA GLN 46 HA GLN 46 -3.576 2.565 -8.068 306 HB2 GLN 46 HB2 GLN 46 -2.119 3.164 -5.489 307 HB3 GLN 46 HB3 GLN 46 -2.247 4.275 -6.846 308 HG2 GLN 46 HG2 GLN 46 -4.521 4.615 -6.517 309 HG3 GLN 46 HG3 GLN 46 -4.696 3.152 -5.549 310 HE21 GLN 46 HE21 GLN 46 -5.622 5.706 -4.805 311 HE22 GLN 46 HE22 GLN 46 -4.760 6.197 -3.391 312 H ALA 47 H ALA 47 -0.812 1.500 -6.075 313 HA ALA 47 HA ALA 47 1.187 2.027 -7.928 314 HB1 ALA 47 HB1 ALA 47 0.965 0.170 -5.605 315 HB2 ALA 47 HB2 ALA 47 2.373 0.069 -6.663 316 HB3 ALA 47 HB3 ALA 47 2.004 1.578 -5.827 317 H ALA 48 H ALA 48 -0.571 -1.019 -7.375 318 HA ALA 48 HA ALA 48 0.693 -2.632 -9.217 319 HB1 ALA 48 HB1 ALA 48 -1.025 -3.386 -7.611 320 HB2 ALA 48 HB2 ALA 48 -2.263 -2.638 -8.621 321 HB3 ALA 48 HB3 ALA 48 -1.307 -3.981 -9.248 322 H CYS 49 H CYS 49 -2.268 -0.723 -9.804 323 HA CYS 49 HA CYS 49 -2.378 -1.230 -12.568 324 HB2 CYS 49 HB2 CYS 49 -4.301 -0.406 -11.275 325 HB3 CYS 49 HB3 CYS 49 -3.477 1.130 -11.026 326 H ASN 50 H ASN 50 -1.402 1.780 -10.913 327 HA ASN 50 HA ASN 50 -0.498 3.215 -13.055 328 HB2 ASN 50 HB2 ASN 50 0.805 3.099 -10.325 329 HB3 ASN 50 HB3 ASN 50 0.989 4.400 -11.499 330 HD21 ASN 50 HD21 ASN 50 -0.052 4.437 -8.765 331 HD22 ASN 50 HD22 ASN 50 -1.646 5.095 -8.876 332 H CYS 51 H CYS 51 1.148 0.602 -11.377 333 HA CYS 51 HA CYS 51 3.689 0.915 -12.538 334 HB2 CYS 51 HB2 CYS 51 2.236 -1.279 -11.152 335 HB3 CYS 51 HB3 CYS 51 3.649 -1.727 -12.101 336 H LEU 52 H LEU 52 0.887 -1.023 -13.531 337 HA LEU 52 HA LEU 52 2.183 -2.068 -15.858 338 HB2 LEU 52 HB2 LEU 52 -0.745 -1.959 -15.146 339 HB3 LEU 52 HB3 LEU 52 -0.040 -2.913 -16.449 340 HG LEU 52 HG LEU 52 0.318 -3.319 -13.484 341 HD11 LEU 52 HD11 LEU 52 -1.730 -4.246 -14.138 342 HD12 LEU 52 HD12 LEU 52 -0.600 -5.599 -14.161 343 HD13 LEU 52 HD13 LEU 52 -1.080 -4.826 -15.672 344 HD21 LEU 52 HD21 LEU 52 1.453 -5.465 -14.821 345 HD22 LEU 52 HD22 LEU 52 2.312 -4.188 -13.959 346 HD23 LEU 52 HD23 LEU 52 2.039 -4.051 -15.697 347 H LYS 53 H LYS 53 0.078 0.653 -15.166 348 HA LYS 53 HA LYS 53 -0.635 1.347 -17.781 349 HB2 LYS 53 HB2 LYS 53 -0.154 3.234 -15.469 350 HB3 LYS 53 HB3 LYS 53 -1.133 3.554 -16.895 351 HG2 LYS 53 HG2 LYS 53 -2.221 1.235 -15.857 352 HG3 LYS 53 HG3 LYS 53 -1.826 2.198 -14.432 353 HD2 LYS 53 HD2 LYS 53 -3.802 3.192 -14.812 354 HD3 LYS 53 HD3 LYS 53 -2.936 4.069 -16.076 355 HE2 LYS 53 HE2 LYS 53 -4.427 3.237 -17.508 356 HE3 LYS 53 HE3 LYS 53 -3.636 1.677 -17.281 357 HZ1 LYS 53 HZ1 LYS 53 -6.173 1.909 -16.896 358 HZ2 LYS 53 HZ2 LYS 53 -5.719 2.530 -15.390 359 HZ3 LYS 53 HZ3 LYS 53 -5.251 0.967 -15.835 360 H SER 54 H SER 54 2.240 2.082 -15.888 361 HA SER 54 HA SER 54 3.327 3.928 -17.781 362 HB2 SER 54 HB2 SER 54 4.431 2.502 -15.371 363 HB3 SER 54 HB3 SER 54 5.478 3.456 -16.421 364 HG SER 54 HG SER 54 3.229 4.338 -14.941 365 H ALA 55 H ALA 55 4.011 0.536 -16.966 366 HA ALA 55 HA ALA 55 6.013 0.179 -18.936 367 HB1 ALA 55 HB1 ALA 55 5.989 -1.332 -17.116 368 HB2 ALA 55 HB2 ALA 55 4.306 -1.772 -17.410 369 HB3 ALA 55 HB3 ALA 55 5.559 -2.272 -18.545 370 H ALA 56 H ALA 56 2.656 0.484 -19.179 371 HA ALA 56 HA ALA 56 2.410 -1.124 -21.589 372 HB1 ALA 56 HB1 ALA 56 0.347 0.646 -20.286 373 HB2 ALA 56 HB2 ALA 56 0.067 -0.588 -21.516 374 HB3 ALA 56 HB3 ALA 56 0.595 -1.057 -19.900 375 H GLY 57 H GLY 57 2.949 2.166 -20.674 376 HA2 GLY 57 HA2 GLY 57 2.044 3.387 -23.087 377 HA3 GLY 57 HA3 GLY 57 3.098 4.118 -21.886 378 H SER 58 H SER 58 4.960 1.755 -22.182 379 HA SER 58 HA SER 58 6.468 2.878 -24.401 380 HB2 SER 58 HB2 SER 58 7.109 1.094 -22.086 381 HB3 SER 58 HB3 SER 58 8.166 1.069 -23.498 382 HG SER 58 HG SER 58 9.010 2.821 -22.730 383 H ILE 59 H ILE 59 4.094 0.739 -24.295 384 HA ILE 59 HA ILE 59 5.341 -1.184 -26.137 385 HB ILE 59 HB ILE 59 2.600 -1.494 -24.946 386 HG12 ILE 59 HG12 ILE 59 5.228 -2.367 -23.725 387 HG13 ILE 59 HG13 ILE 59 4.141 -1.145 -23.075 388 HG21 ILE 59 HG21 ILE 59 2.608 -3.398 -26.083 389 HG22 ILE 59 HG22 ILE 59 4.185 -2.978 -26.750 390 HG23 ILE 59 HG23 ILE 59 4.079 -3.909 -25.256 391 HD11 ILE 59 HD11 ILE 59 3.998 -4.070 -22.938 392 HD12 ILE 59 HD12 ILE 59 3.405 -2.844 -21.817 393 HD13 ILE 59 HD13 ILE 59 2.467 -3.252 -23.254 394 H THR 60 H THR 60 4.778 -1.249 -28.224 395 HA THR 60 HA THR 60 2.746 0.650 -29.148 396 HB THR 60 HB THR 60 5.110 0.675 -30.094 397 HG1 THR 60 HG1 THR 60 3.708 1.768 -31.332 398 HG21 THR 60 HG21 THR 60 5.762 -0.950 -31.680 399 HG22 THR 60 HG22 THR 60 4.152 -1.670 -31.720 400 HG23 THR 60 HG23 THR 60 5.170 -1.863 -30.292 401 H LYS 61 H LYS 61 3.510 -2.747 -29.048 402 HA LYS 61 HA LYS 61 1.302 -3.421 -30.830 403 HB2 LYS 61 HB2 LYS 61 3.510 -4.994 -29.537 404 HB3 LYS 61 HB3 LYS 61 2.114 -5.812 -30.225 405 HG2 LYS 61 HG2 LYS 61 3.596 -3.828 -31.881 406 HG3 LYS 61 HG3 LYS 61 4.273 -5.440 -31.642 407 HD2 LYS 61 HD2 LYS 61 2.199 -6.431 -32.492 408 HD3 LYS 61 HD3 LYS 61 1.528 -4.817 -32.734 409 HE2 LYS 61 HE2 LYS 61 2.305 -5.408 -34.847 410 HE3 LYS 61 HE3 LYS 61 3.599 -4.403 -34.199 411 HZ1 LYS 61 HZ1 LYS 61 4.010 -6.783 -35.294 412 HZ2 LYS 61 HZ2 LYS 61 3.814 -7.255 -33.681 413 HZ3 LYS 61 HZ3 LYS 61 5.013 -6.135 -34.096 414 H LEU 62 H LEU 62 1.175 -2.309 -27.945 415 HA LEU 62 HA LEU 62 0.016 -4.305 -26.320 416 HB2 LEU 62 HB2 LEU 62 0.868 -2.303 -25.328 417 HB3 LEU 62 HB3 LEU 62 -0.219 -1.304 -26.290 418 HG LEU 62 HG LEU 62 -2.109 -2.506 -25.020 419 HD11 LEU 62 HD11 LEU 62 0.211 -3.706 -23.815 420 HD12 LEU 62 HD12 LEU 62 -1.494 -4.102 -23.607 421 HD13 LEU 62 HD13 LEU 62 -0.751 -2.855 -22.606 422 HD21 LEU 62 HD21 LEU 62 -1.461 -0.143 -24.733 423 HD22 LEU 62 HD22 LEU 62 -0.285 -0.634 -23.514 424 HD23 LEU 62 HD23 LEU 62 -2.008 -0.885 -23.230 425 H ASN 63 H ASN 63 -1.929 -5.216 -26.371 426 HA ASN 63 HA ASN 63 -3.972 -4.033 -28.122 427 HB2 ASN 63 HB2 ASN 63 -3.518 -6.864 -27.177 428 HB3 ASN 63 HB3 ASN 63 -5.000 -6.358 -27.983 429 HD21 ASN 63 HD21 ASN 63 -5.024 -6.846 -30.042 430 HD22 ASN 63 HD22 ASN 63 -3.664 -6.865 -31.107 431 H THR 64 H THR 64 -4.884 -2.571 -26.686 432 HA THR 64 HA THR 64 -5.558 -2.980 -24.034 433 HB THR 64 HB THR 64 -7.133 -1.165 -24.236 434 HG1 THR 64 HG1 THR 64 -8.310 -1.165 -25.993 435 HG21 THR 64 HG21 THR 64 -5.725 0.538 -25.143 436 HG22 THR 64 HG22 THR 64 -4.903 -0.617 -26.192 437 HG23 THR 64 HG23 THR 64 -4.672 -0.692 -24.446 438 H ASN 65 H ASN 65 -7.067 -4.218 -26.892 439 HA ASN 65 HA ASN 65 -9.627 -4.777 -25.853 440 HB2 ASN 65 HB2 ASN 65 -8.025 -5.691 -28.187 441 HB3 ASN 65 HB3 ASN 65 -9.391 -6.694 -27.707 442 HD21 ASN 65 HD21 ASN 65 -9.100 -5.233 -30.139 443 HD22 ASN 65 HD22 ASN 65 -10.384 -4.079 -30.201 444 H ASN 66 H ASN 66 -6.669 -6.729 -26.032 445 HA ASN 66 HA ASN 66 -7.859 -8.991 -24.737 446 HB2 ASN 66 HB2 ASN 66 -4.965 -8.307 -25.295 447 HB3 ASN 66 HB3 ASN 66 -5.521 -9.852 -24.658 448 HD21 ASN 66 HD21 ASN 66 -4.368 -8.607 -27.312 449 HD22 ASN 66 HD22 ASN 66 -5.261 -9.460 -28.520 450 H ALA 67 H ALA 67 -6.355 -6.080 -23.696 451 HA ALA 67 HA ALA 67 -5.521 -6.993 -21.118 452 HB1 ALA 67 HB1 ALA 67 -4.361 -5.108 -21.433 453 HB2 ALA 67 HB2 ALA 67 -5.529 -4.474 -22.593 454 HB3 ALA 67 HB3 ALA 67 -5.811 -4.281 -20.863 455 H ALA 68 H ALA 68 -8.421 -5.480 -22.419 456 HA ALA 68 HA ALA 68 -9.639 -5.044 -19.863 457 HB1 ALA 68 HB1 ALA 68 -11.664 -5.085 -21.779 458 HB2 ALA 68 HB2 ALA 68 -10.819 -3.670 -21.150 459 HB3 ALA 68 HB3 ALA 68 -10.246 -4.458 -22.620 460 H ALA 69 H ALA 69 -9.895 -7.511 -22.385 461 HA ALA 69 HA ALA 69 -11.894 -8.989 -20.893 462 HB1 ALA 69 HB1 ALA 69 -12.147 -8.982 -23.267 463 HB2 ALA 69 HB2 ALA 69 -10.492 -9.548 -23.499 464 HB3 ALA 69 HB3 ALA 69 -11.697 -10.616 -22.778 465 H LEU 70 H LEU 70 -8.589 -8.691 -20.751 466 HA LEU 70 HA LEU 70 -7.620 -11.280 -20.484 467 HB2 LEU 70 HB2 LEU 70 -5.931 -9.754 -20.475 468 HB3 LEU 70 HB3 LEU 70 -6.821 -8.613 -19.468 469 HG LEU 70 HG LEU 70 -6.326 -10.003 -17.496 470 HD11 LEU 70 HD11 LEU 70 -5.671 -12.105 -17.722 471 HD12 LEU 70 HD12 LEU 70 -4.182 -11.559 -18.493 472 HD13 LEU 70 HD13 LEU 70 -5.604 -11.912 -19.474 473 HD21 LEU 70 HD21 LEU 70 -4.334 -8.994 -17.161 474 HD22 LEU 70 HD22 LEU 70 -4.729 -8.199 -18.686 475 HD23 LEU 70 HD23 LEU 70 -3.651 -9.596 -18.672 476 HA PRO 71 HA PRO 71 -8.617 -11.084 -15.761 477 HB2 PRO 71 HB2 PRO 71 -10.180 -9.038 -14.900 478 HB3 PRO 71 HB3 PRO 71 -8.417 -8.934 -14.975 479 HG2 PRO 71 HG2 PRO 71 -10.460 -7.900 -16.904 480 HG3 PRO 71 HG3 PRO 71 -8.987 -7.114 -16.304 481 HD2 PRO 71 HD2 PRO 71 -9.117 -8.305 -18.732 482 HD3 PRO 71 HD3 PRO 71 -7.627 -8.262 -17.768 483 H GLY 72 H GLY 72 -11.037 -10.017 -18.069 484 HA2 GLY 72 HA2 GLY 72 -13.280 -11.093 -16.657 485 HA3 GLY 72 HA3 GLY 72 -13.260 -10.568 -18.334 486 H LYS 73 H LYS 73 -11.174 -12.287 -19.226 487 HA LYS 73 HA LYS 73 -12.708 -14.651 -19.701 488 HB2 LYS 73 HB2 LYS 73 -9.892 -13.865 -20.454 489 HB3 LYS 73 HB3 LYS 73 -10.631 -15.386 -20.940 490 HG2 LYS 73 HG2 LYS 73 -12.088 -12.871 -21.544 491 HG3 LYS 73 HG3 LYS 73 -10.657 -13.261 -22.501 492 HD2 LYS 73 HD2 LYS 73 -11.611 -15.380 -23.147 493 HD3 LYS 73 HD3 LYS 73 -12.992 -15.125 -22.078 494 HE2 LYS 73 HE2 LYS 73 -13.758 -13.285 -23.412 495 HE3 LYS 73 HE3 LYS 73 -12.294 -13.325 -24.393 496 HZ1 LYS 73 HZ1 LYS 73 -12.954 -15.268 -25.441 497 HZ2 LYS 73 HZ2 LYS 73 -14.402 -14.404 -25.317 498 HZ3 LYS 73 HZ3 LYS 73 -14.079 -15.670 -24.243 499 H CYS 74 H CYS 74 -10.392 -13.719 -17.359 500 HA CYS 74 HA CYS 74 -9.566 -16.417 -16.713 501 HB2 CYS 74 HB2 CYS 74 -9.002 -13.725 -15.472 502 HB3 CYS 74 HB3 CYS 74 -8.432 -15.233 -14.763 503 H GLY 75 H GLY 75 -12.292 -14.629 -16.147 504 HA2 GLY 75 HA2 GLY 75 -14.138 -15.450 -14.918 505 HA3 GLY 75 HA3 GLY 75 -13.029 -16.364 -13.908 506 H VAL 76 H VAL 76 -11.942 -13.216 -14.384 507 HA VAL 76 HA VAL 76 -12.651 -12.522 -11.647 508 HB VAL 76 HB VAL 76 -11.009 -10.793 -13.470 509 HG11 VAL 76 HG11 VAL 76 -9.898 -10.807 -10.956 510 HG12 VAL 76 HG12 VAL 76 -11.012 -9.591 -11.585 511 HG13 VAL 76 HG13 VAL 76 -11.625 -10.937 -10.625 512 HG21 VAL 76 HG21 VAL 76 -10.050 -13.217 -11.952 513 HG22 VAL 76 HG22 VAL 76 -10.064 -13.010 -13.704 514 HG23 VAL 76 HG23 VAL 76 -9.004 -12.014 -12.706 515 H ASN 77 H ASN 77 -13.373 -10.302 -11.153 516 HA ASN 77 HA ASN 77 -14.999 -9.103 -13.285 517 HB2 ASN 77 HB2 ASN 77 -15.910 -10.166 -10.659 518 HB3 ASN 77 HB3 ASN 77 -16.637 -8.662 -11.217 519 HD21 ASN 77 HD21 ASN 77 -18.432 -8.916 -12.310 520 HD22 ASN 77 HD22 ASN 77 -18.855 -10.279 -13.283 521 H ILE 78 H ILE 78 -14.819 -6.954 -13.415 522 HA ILE 78 HA ILE 78 -13.821 -5.476 -11.078 523 HB ILE 78 HB ILE 78 -12.906 -4.708 -13.822 524 HG12 ILE 78 HG12 ILE 78 -10.745 -6.036 -12.927 525 HG13 ILE 78 HG13 ILE 78 -12.005 -7.036 -12.213 526 HG21 ILE 78 HG21 ILE 78 -11.098 -3.665 -12.629 527 HG22 ILE 78 HG22 ILE 78 -12.622 -3.192 -11.880 528 HG23 ILE 78 HG23 ILE 78 -11.608 -4.417 -11.117 529 HD11 ILE 78 HD11 ILE 78 -12.924 -6.789 -14.742 530 HD12 ILE 78 HD12 ILE 78 -11.180 -6.745 -15.007 531 HD13 ILE 78 HD13 ILE 78 -11.911 -8.114 -14.168 532 HA PRO 79 HA PRO 79 -17.291 -2.892 -12.014 533 HB2 PRO 79 HB2 PRO 79 -16.674 -0.869 -10.313 534 HB3 PRO 79 HB3 PRO 79 -17.334 -2.415 -9.767 535 HG2 PRO 79 HG2 PRO 79 -14.494 -1.467 -9.781 536 HG3 PRO 79 HG3 PRO 79 -15.373 -2.348 -8.518 537 HD2 PRO 79 HD2 PRO 79 -13.665 -3.570 -10.227 538 HD3 PRO 79 HD3 PRO 79 -15.103 -4.380 -9.571 539 H TYR 80 H TYR 80 -14.055 -2.240 -12.726 540 HA TYR 80 HA TYR 80 -14.579 0.405 -13.839 541 HB2 TYR 80 HB2 TYR 80 -12.130 -1.205 -13.273 542 HB3 TYR 80 HB3 TYR 80 -12.047 0.029 -14.525 543 HD1 TYR 80 HD1 TYR 80 -12.651 2.415 -13.902 544 HD2 TYR 80 HD2 TYR 80 -11.987 -0.624 -11.000 545 HE1 TYR 80 HE1 TYR 80 -12.295 4.141 -12.186 546 HE2 TYR 80 HE2 TYR 80 -11.630 1.093 -9.276 547 HH TYR 80 HH TYR 80 -12.550 3.808 -9.163 548 H LYS 81 H LYS 81 -14.256 0.913 -16.036 549 HA LYS 81 HA LYS 81 -14.957 -1.256 -17.832 550 HB2 LYS 81 HB2 LYS 81 -14.925 1.729 -18.014 551 HB3 LYS 81 HB3 LYS 81 -14.921 0.784 -19.497 552 HG2 LYS 81 HG2 LYS 81 -16.940 -0.434 -18.309 553 HG3 LYS 81 HG3 LYS 81 -17.048 1.106 -17.452 554 HD2 LYS 81 HD2 LYS 81 -18.460 1.321 -19.330 555 HD3 LYS 81 HD3 LYS 81 -16.993 2.215 -19.735 556 HE2 LYS 81 HE2 LYS 81 -16.263 0.581 -21.223 557 HE3 LYS 81 HE3 LYS 81 -17.295 -0.661 -20.516 558 HZ1 LYS 81 HZ1 LYS 81 -18.388 1.697 -21.935 559 HZ2 LYS 81 HZ2 LYS 81 -19.193 0.270 -21.515 560 HZ3 LYS 81 HZ3 LYS 81 -18.016 0.251 -22.730 561 H ILE 82 H ILE 82 -12.170 -0.637 -16.603 562 HA ILE 82 HA ILE 82 -9.984 -0.799 -17.221 563 HB ILE 82 HB ILE 82 -11.296 -2.274 -19.497 564 HG12 ILE 82 HG12 ILE 82 -11.431 -3.218 -17.182 565 HG13 ILE 82 HG13 ILE 82 -10.583 -4.254 -18.324 566 HG21 ILE 82 HG21 ILE 82 -9.332 -1.783 -20.551 567 HG22 ILE 82 HG22 ILE 82 -8.438 -1.605 -19.042 568 HG23 ILE 82 HG23 ILE 82 -8.831 -3.213 -19.650 569 HD11 ILE 82 HD11 ILE 82 -9.689 -3.561 -15.848 570 HD12 ILE 82 HD12 ILE 82 -8.681 -4.153 -17.169 571 HD13 ILE 82 HD13 ILE 82 -8.834 -2.419 -16.884 572 H SER 83 H SER 83 -9.517 1.376 -17.510 573 HA SER 83 HA SER 83 -9.397 2.251 -20.319 574 HB2 SER 83 HB2 SER 83 -10.529 3.628 -17.956 575 HB3 SER 83 HB3 SER 83 -9.529 4.622 -19.016 576 HG SER 83 HG SER 83 -10.933 3.537 -20.733 577 H THR 84 H THR 84 -7.329 2.250 -20.890 578 HA THR 84 HA THR 84 -5.158 2.347 -19.095 579 HB THR 84 HB THR 84 -3.743 2.658 -21.104 580 HG1 THR 84 HG1 THR 84 -4.756 3.752 -22.629 581 HG21 THR 84 HG21 THR 84 -3.896 0.452 -21.367 582 HG22 THR 84 HG22 THR 84 -5.413 0.634 -22.248 583 HG23 THR 84 HG23 THR 84 -5.426 0.478 -20.492 584 H THR 85 H THR 85 -7.159 4.801 -20.274 585 HA THR 85 HA THR 85 -5.137 6.890 -19.984 586 HB THR 85 HB THR 85 -6.590 7.129 -21.902 587 HG1 THR 85 HG1 THR 85 -7.271 9.243 -21.486 588 HG21 THR 85 HG21 THR 85 -8.605 6.252 -20.073 589 HG22 THR 85 HG22 THR 85 -8.711 6.456 -21.822 590 HG23 THR 85 HG23 THR 85 -9.082 7.808 -20.752 591 H THR 86 H THR 86 -7.446 5.295 -18.119 592 HA THR 86 HA THR 86 -8.246 7.476 -16.446 593 HB THR 86 HB THR 86 -8.429 4.486 -16.049 594 HG1 THR 86 HG1 THR 86 -10.401 6.452 -16.667 595 HG21 THR 86 HG21 THR 86 -8.559 5.137 -13.859 596 HG22 THR 86 HG22 THR 86 -10.238 5.396 -14.333 597 HG23 THR 86 HG23 THR 86 -9.122 6.759 -14.261 598 H ASN 87 H ASN 87 -7.511 8.040 -14.419 599 HA ASN 87 HA ASN 87 -4.770 7.273 -13.837 600 HB2 ASN 87 HB2 ASN 87 -5.479 9.662 -13.794 601 HB3 ASN 87 HB3 ASN 87 -6.528 9.292 -12.428 602 HD21 ASN 87 HD21 ASN 87 -5.612 10.320 -10.781 603 HD22 ASN 87 HD22 ASN 87 -3.971 10.131 -10.274 604 H CYS 88 H CYS 88 -4.648 5.341 -12.840 605 HA CYS 88 HA CYS 88 -6.570 4.410 -10.955 606 HB2 CYS 88 HB2 CYS 88 -3.831 3.447 -11.767 607 HB3 CYS 88 HB3 CYS 88 -4.762 2.650 -10.503 608 H ASN 89 H ASN 89 -4.183 6.705 -10.699 609 HA ASN 89 HA ASN 89 -3.245 6.131 -8.054 610 HB2 ASN 89 HB2 ASN 89 -2.702 8.076 -10.121 611 HB3 ASN 89 HB3 ASN 89 -2.873 8.869 -8.558 612 HD21 ASN 89 HD21 ASN 89 -0.656 7.752 -10.557 613 HD22 ASN 89 HD22 ASN 89 0.553 7.209 -9.448 614 H THR 90 H THR 90 -5.877 7.953 -9.442 615 HA THR 90 HA THR 90 -6.578 9.092 -6.842 616 HB THR 90 HB THR 90 -6.691 10.610 -8.748 617 HG1 THR 90 HG1 THR 90 -8.205 11.059 -7.180 618 HG21 THR 90 HG21 THR 90 -7.139 9.081 -10.550 619 HG22 THR 90 HG22 THR 90 -8.452 10.257 -10.481 620 HG23 THR 90 HG23 THR 90 -8.689 8.630 -9.842 621 H VAL 91 H VAL 91 -6.787 6.302 -7.021 622 HA VAL 91 HA VAL 91 -9.693 5.853 -7.155 623 HB VAL 91 HB VAL 91 -9.288 3.537 -7.485 624 HG11 VAL 91 HG11 VAL 91 -9.038 4.783 -9.507 625 HG12 VAL 91 HG12 VAL 91 -7.369 5.198 -9.110 626 HG13 VAL 91 HG13 VAL 91 -7.797 3.530 -9.492 627 HG21 VAL 91 HG21 VAL 91 -6.409 4.139 -6.826 628 HG22 VAL 91 HG22 VAL 91 -7.533 3.146 -5.899 629 HG23 VAL 91 HG23 VAL 91 -6.975 2.602 -7.481 630 H LYS 92 H LYS 92 -10.393 4.033 -5.586 631 HA LYS 92 HA LYS 92 -9.008 4.163 -3.021 632 HB2 LYS 92 HB2 LYS 92 -10.854 4.956 -1.784 633 HB3 LYS 92 HB3 LYS 92 -10.732 6.032 -3.170 634 HG2 LYS 92 HG2 LYS 92 -12.490 4.611 -4.282 635 HG3 LYS 92 HG3 LYS 92 -12.712 3.818 -2.721 636 HD2 LYS 92 HD2 LYS 92 -14.324 5.463 -2.628 637 HD3 LYS 92 HD3 LYS 92 -12.964 6.266 -1.840 638 HE2 LYS 92 HE2 LYS 92 -13.933 7.801 -3.396 639 HE3 LYS 92 HE3 LYS 92 -12.378 7.278 -4.042 640 HZ1 LYS 92 HZ1 LYS 92 -13.449 5.848 -5.572 641 HZ2 LYS 92 HZ2 LYS 92 -14.242 7.339 -5.679 642 HZ3 LYS 92 HZ3 LYS 92 -14.960 6.058 -4.839 643 H PHE 93 H PHE 93 -10.404 2.787 -1.371 644 HA PHE 93 HA PHE 93 -11.704 0.526 -2.653 645 HB2 PHE 93 HB2 PHE 93 -9.473 -0.279 -2.748 646 HB3 PHE 93 HB3 PHE 93 -9.113 0.311 -1.128 647 HD1 PHE 93 HD1 PHE 93 -9.851 -0.904 0.833 648 HD2 PHE 93 HD2 PHE 93 -10.677 -2.338 -3.089 649 HE1 PHE 93 HE1 PHE 93 -10.427 -3.108 1.763 650 HE2 PHE 93 HE2 PHE 93 -11.255 -4.544 -2.164 651 HZ PHE 93 HZ PHE 93 -11.131 -4.931 0.265 652 HC11 PGM 101 H11 PPG 103 8.889 -1.567 -20.620 653 HC12 PGM 101 H12 PPG 103 8.099 -0.139 -20.772 654 HO1 PGM 101 H1 PPG 103 10.598 -0.817 -21.847 655 HC2 PGM 101 H2A PPG 103 10.655 -0.152 -19.363 656 HO2 PGM 101 H2 PPG 103 9.319 1.754 -20.136 657 HC31 PGM 101 H31 PPG 103 7.960 -0.777 -18.374 658 HC32 PGM 101 H32 PPG 103 9.151 -0.298 -17.352 659 HC71 PGM 101 H91 PPG 103 8.120 -5.178 -18.322 660 HC72 PGM 101 H92 PPG 103 8.367 -3.849 -19.226 661 HC8 PGM 101 H10A PPG 103 6.973 -5.369 -20.408 662 HO8 PGM 101 H10 PPG 103 4.968 -3.876 -20.416 663 HC91 PGM 101 H111 PPG 103 5.354 -5.070 -17.988 664 HC92 PGM 101 H112 PPG 103 5.796 -6.483 -18.666 665 HCB1 PGM 101 H151 PPG 103 1.353 -6.012 -19.323 666 HCB2 PGM 101 H152 PPG 103 1.924 -5.190 -20.611 667 HCC1 PGM 101 H161 PPG 103 1.034 -3.218 -19.889 668 HCC2 PGM 101 H162 PPG 103 1.074 -3.671 -18.323 669 HCD1 PGM 101 H171 PPG 103 -0.592 -5.399 -18.923 670 HCD2 PGM 101 H172 PPG 103 -0.768 -4.603 -20.330 671 HCE1 PGM 101 H181 PPG 103 -1.365 -2.636 -18.995 672 HCE2 PGM 101 H182 PPG 103 -1.450 -3.635 -17.713 673 HCF1 PGM 101 H191 PPG 103 -3.266 -4.711 -18.547 674 HCF2 PGM 101 H192 PPG 103 -3.054 -4.060 -20.026 675 HCG1 PGM 101 H201 PPG 103 -4.782 -2.843 -19.412 676 HCG2 PGM 101 H202 PPG 103 -3.611 -1.911 -18.774 677 HCH1 PGM 101 H211 PPG 103 -4.007 -3.276 -16.682 678 HCH2 PGM 101 H212 PPG 103 -5.450 -3.601 -17.377 679 HCI1 PGM 101 H221 PPG 103 -5.547 -1.104 -17.794 680 HCI2 PGM 101 H222 PPG 103 -4.422 -1.018 -16.608 681 HCJ1 PGM 101 H231 PPG 103 -6.928 -2.348 -16.181 682 HCJ2 PGM 101 H232 PPG 103 -6.769 -0.744 -15.899 683 HCK1 PGM 101 H241 PPG 103 -6.353 -1.501 -13.838 684 HCK2 PGM 101 H242 PPG 103 -4.830 -1.538 -14.424 685 HCL1 PGM 101 H251 PPG 103 -4.839 -3.812 -14.645 686 HCL2 PGM 101 H252 PPG 103 -6.467 -3.886 -14.782 687 HCM1 PGM 101 H261 PPG 103 -6.147 -4.515 -12.557 688 HCM2 PGM 101 H262 PPG 103 -6.439 -2.919 -12.403 689 HCN1 PGM 101 H271 PPG 103 -4.422 -3.143 -11.316 690 HCN2 PGM 101 H272 PPG 103 -3.951 -2.660 -12.798 691 HCO1 PGM 101 H281 PPG 103 -2.708 -4.568 -12.236 692 HCO2 PGM 101 H282 PPG 103 -3.734 -4.960 -13.452 693 HCP1 PGM 101 H291 PPG 103 -3.555 -6.740 -11.935 694 HCP2 PGM 101 H292 PPG 103 -4.057 -5.770 -10.721 695 HCP3 PGM 101 H293 PPG 103 -5.083 -6.153 -11.925 Start of MODEL 11 1 H ALA 1 H ALA 1 3.169 -0.259 0.098 2 HA ALA 1 HA ALA 1 1.387 -0.496 -2.228 3 HB1 ALA 1 HB1 ALA 1 3.607 1.344 -1.891 4 HB2 ALA 1 HB2 ALA 1 3.789 0.322 -3.317 5 HB3 ALA 1 HB3 ALA 1 2.342 1.310 -3.119 6 H ILE 2 H ILE 2 1.917 -2.099 -3.705 7 HA ILE 2 HA ILE 2 3.510 -4.254 -2.651 8 HB ILE 2 HB ILE 2 2.752 -5.543 -4.546 9 HG12 ILE 2 HG12 ILE 2 1.590 -2.949 -5.585 10 HG13 ILE 2 HG13 ILE 2 2.969 -3.803 -6.268 11 HG21 ILE 2 HG21 ILE 2 0.329 -3.959 -3.827 12 HG22 ILE 2 HG22 ILE 2 0.535 -5.705 -3.951 13 HG23 ILE 2 HG23 ILE 2 1.201 -4.835 -2.569 14 HD11 ILE 2 HD11 ILE 2 0.158 -4.863 -6.118 15 HD12 ILE 2 HD12 ILE 2 0.930 -4.180 -7.549 16 HD13 ILE 2 HD13 ILE 2 1.542 -5.677 -6.846 17 H SER 3 H SER 3 4.689 -5.470 -4.713 18 HA SER 3 HA SER 3 6.884 -3.654 -5.343 19 HB2 SER 3 HB2 SER 3 6.609 -6.659 -5.536 20 HB3 SER 3 HB3 SER 3 8.037 -5.777 -6.075 21 HG SER 3 HG SER 3 7.987 -6.657 -3.827 22 H CYS 4 H CYS 4 6.963 -2.658 -7.233 23 HA CYS 4 HA CYS 4 5.178 -3.007 -9.326 24 HB2 CYS 4 HB2 CYS 4 6.968 -1.124 -8.783 25 HB3 CYS 4 HB3 CYS 4 7.930 -2.033 -9.943 26 H GLY 5 H GLY 5 8.310 -4.511 -8.763 27 HA2 GLY 5 HA2 GLY 5 8.682 -5.667 -11.294 28 HA3 GLY 5 HA3 GLY 5 9.365 -6.270 -9.791 29 H ALA 6 H ALA 6 6.625 -6.592 -8.646 30 HA ALA 6 HA ALA 6 6.167 -9.256 -9.689 31 HB1 ALA 6 HB1 ALA 6 4.903 -9.664 -7.771 32 HB2 ALA 6 HB2 ALA 6 6.175 -8.575 -7.216 33 HB3 ALA 6 HB3 ALA 6 4.554 -7.953 -7.523 34 H VAL 7 H VAL 7 4.809 -6.111 -10.013 35 HA VAL 7 HA VAL 7 2.158 -6.804 -10.698 36 HB VAL 7 HB VAL 7 3.726 -4.404 -11.649 37 HG11 VAL 7 HG11 VAL 7 1.637 -3.360 -12.051 38 HG12 VAL 7 HG12 VAL 7 1.552 -4.954 -12.804 39 HG13 VAL 7 HG13 VAL 7 0.754 -4.664 -11.257 40 HG21 VAL 7 HG21 VAL 7 3.678 -4.778 -9.149 41 HG22 VAL 7 HG22 VAL 7 3.018 -3.243 -9.712 42 HG23 VAL 7 HG23 VAL 7 1.932 -4.549 -9.238 43 H THR 8 H THR 8 4.972 -6.043 -12.747 44 HA THR 8 HA THR 8 3.602 -6.748 -15.163 45 HB THR 8 HB THR 8 5.737 -6.410 -16.282 46 HG1 THR 8 HG1 THR 8 7.519 -5.718 -14.764 47 HG21 THR 8 HG21 THR 8 5.981 -4.188 -14.404 48 HG22 THR 8 HG22 THR 8 4.320 -4.484 -14.919 49 HG23 THR 8 HG23 THR 8 5.574 -4.180 -16.120 50 H SER 9 H SER 9 5.845 -8.346 -12.978 51 HA SER 9 HA SER 9 6.562 -10.528 -14.558 52 HB2 SER 9 HB2 SER 9 6.493 -9.950 -11.649 53 HB3 SER 9 HB3 SER 9 6.560 -11.652 -12.105 54 HG SER 9 HG SER 9 8.313 -9.770 -13.260 55 H ASP 10 H ASP 10 3.788 -10.098 -12.395 56 HA ASP 10 HA ASP 10 2.735 -12.695 -12.684 57 HB2 ASP 10 HB2 ASP 10 1.346 -10.092 -12.016 58 HB3 ASP 10 HB3 ASP 10 0.615 -11.687 -11.855 59 H LEU 11 H LEU 11 2.745 -9.976 -14.778 60 HA LEU 11 HA LEU 11 0.627 -11.153 -16.441 61 HB2 LEU 11 HB2 LEU 11 1.805 -8.396 -16.287 62 HB3 LEU 11 HB3 LEU 11 0.836 -8.916 -17.664 63 HG LEU 11 HG LEU 11 -0.059 -8.623 -14.801 64 HD11 LEU 11 HD11 LEU 11 -0.962 -6.677 -15.411 65 HD12 LEU 11 HD12 LEU 11 -1.566 -7.331 -16.933 66 HD13 LEU 11 HD13 LEU 11 0.101 -6.766 -16.816 67 HD21 LEU 11 HD21 LEU 11 -1.330 -10.428 -15.354 68 HD22 LEU 11 HD22 LEU 11 -1.239 -10.105 -17.085 69 HD23 LEU 11 HD23 LEU 11 -2.328 -9.161 -16.068 70 H SER 12 H SER 12 3.668 -11.746 -16.145 71 HA SER 12 HA SER 12 5.006 -11.094 -18.488 72 HB2 SER 12 HB2 SER 12 5.256 -13.204 -16.428 73 HB3 SER 12 HB3 SER 12 6.019 -13.556 -17.979 74 HG SER 12 HG SER 12 7.264 -11.730 -17.768 75 HA PRO 13 HA PRO 13 3.367 -15.175 -20.485 76 HB2 PRO 13 HB2 PRO 13 1.389 -16.498 -19.178 77 HB3 PRO 13 HB3 PRO 13 3.105 -16.811 -18.893 78 HG2 PRO 13 HG2 PRO 13 1.195 -15.142 -17.304 79 HG3 PRO 13 HG3 PRO 13 2.425 -16.284 -16.733 80 HD2 PRO 13 HD2 PRO 13 2.817 -13.605 -16.740 81 HD3 PRO 13 HD3 PRO 13 4.138 -14.764 -16.991 82 H CYS 14 H CYS 14 1.485 -12.731 -19.062 83 HA CYS 14 HA CYS 14 -0.826 -13.200 -20.778 84 HB2 CYS 14 HB2 CYS 14 -0.309 -11.042 -18.721 85 HB3 CYS 14 HB3 CYS 14 -1.823 -11.283 -19.586 86 H LEU 15 H LEU 15 1.948 -11.107 -20.495 87 HA LEU 15 HA LEU 15 1.320 -8.929 -22.003 88 HB2 LEU 15 HB2 LEU 15 3.563 -9.693 -20.935 89 HB3 LEU 15 HB3 LEU 15 3.890 -10.368 -22.531 90 HG LEU 15 HG LEU 15 3.732 -8.153 -23.522 91 HD11 LEU 15 HD11 LEU 15 2.364 -6.734 -22.454 92 HD12 LEU 15 HD12 LEU 15 3.800 -6.321 -21.519 93 HD13 LEU 15 HD13 LEU 15 2.639 -7.488 -20.884 94 HD21 LEU 15 HD21 LEU 15 5.726 -9.041 -21.728 95 HD22 LEU 15 HD22 LEU 15 5.542 -7.303 -21.491 96 HD23 LEU 15 HD23 LEU 15 5.898 -7.941 -23.097 97 H THR 16 H THR 16 2.126 -12.158 -23.192 98 HA THR 16 HA THR 16 2.312 -11.650 -25.907 99 HB THR 16 HB THR 16 1.150 -14.089 -24.549 100 HG1 THR 16 HG1 THR 16 3.712 -13.938 -25.708 101 HG21 THR 16 HG21 THR 16 2.363 -14.732 -27.019 102 HG22 THR 16 HG22 THR 16 1.258 -13.390 -27.320 103 HG23 THR 16 HG23 THR 16 0.663 -14.873 -26.575 104 H TYR 17 H TYR 17 -0.608 -12.887 -24.264 105 HA TYR 17 HA TYR 17 -2.324 -12.428 -26.446 106 HB2 TYR 17 HB2 TYR 17 -3.028 -13.989 -24.799 107 HB3 TYR 17 HB3 TYR 17 -2.841 -12.816 -23.500 108 HD1 TYR 17 HD1 TYR 17 -4.759 -13.232 -26.684 109 HD2 TYR 17 HD2 TYR 17 -4.752 -11.830 -22.667 110 HE1 TYR 17 HE1 TYR 17 -7.134 -12.627 -26.897 111 HE2 TYR 17 HE2 TYR 17 -7.126 -11.223 -22.868 112 HH TYR 17 HH TYR 17 -9.147 -12.285 -24.726 113 H LEU 18 H LEU 18 -1.359 -10.421 -23.736 114 HA LEU 18 HA LEU 18 -3.320 -8.401 -24.099 115 HB2 LEU 18 HB2 LEU 18 -0.626 -8.378 -22.755 116 HB3 LEU 18 HB3 LEU 18 -1.738 -7.010 -22.733 117 HG LEU 18 HG LEU 18 -2.172 -9.724 -21.490 118 HD11 LEU 18 HD11 LEU 18 -1.968 -6.992 -20.236 119 HD12 LEU 18 HD12 LEU 18 -0.661 -8.175 -20.288 120 HD13 LEU 18 HD13 LEU 18 -2.142 -8.536 -19.400 121 HD21 LEU 18 HD21 LEU 18 -4.070 -7.739 -22.383 122 HD22 LEU 18 HD22 LEU 18 -4.160 -7.974 -20.637 123 HD23 LEU 18 HD23 LEU 18 -4.351 -9.351 -21.724 124 H THR 19 H THR 19 -0.414 -9.181 -25.739 125 HA THR 19 HA THR 19 -0.245 -6.519 -26.957 126 HB THR 19 HB THR 19 1.879 -7.367 -27.971 127 HG1 THR 19 HG1 THR 19 1.858 -9.500 -26.150 128 HG21 THR 19 HG21 THR 19 1.346 -6.670 -25.261 129 HG22 THR 19 HG22 THR 19 2.809 -6.383 -26.203 130 HG23 THR 19 HG23 THR 19 2.632 -7.876 -25.282 131 H GLY 20 H GLY 20 -2.344 -8.577 -27.535 132 HA2 GLY 20 HA2 GLY 20 -3.561 -8.805 -29.537 133 HA3 GLY 20 HA3 GLY 20 -2.099 -8.439 -30.441 134 H GLY 21 H GLY 21 -0.880 -10.537 -28.415 135 HA2 GLY 21 HA2 GLY 21 -0.804 -12.670 -30.269 136 HA3 GLY 21 HA3 GLY 21 -0.233 -12.732 -28.608 137 HA PRO 22 HA PRO 22 -4.055 -15.417 -29.210 138 HB2 PRO 22 HB2 PRO 22 -2.866 -17.784 -28.615 139 HB3 PRO 22 HB3 PRO 22 -2.939 -17.132 -30.256 140 HG2 PRO 22 HG2 PRO 22 -0.690 -17.048 -28.282 141 HG3 PRO 22 HG3 PRO 22 -0.639 -17.385 -30.022 142 HD2 PRO 22 HD2 PRO 22 0.013 -14.970 -28.987 143 HD3 PRO 22 HD3 PRO 22 -0.737 -15.153 -30.586 144 H GLY 23 H GLY 23 -5.295 -16.248 -27.531 145 HA2 GLY 23 HA2 GLY 23 -4.866 -17.268 -25.155 146 HA3 GLY 23 HA3 GLY 23 -4.275 -15.641 -24.852 147 HA PRO 24 HA PRO 24 -4.762 -15.042 -23.027 148 HB2 PRO 24 HB2 PRO 24 -6.073 -15.471 -20.689 149 HB3 PRO 24 HB3 PRO 24 -6.082 -13.913 -21.523 150 HG2 PRO 24 HG2 PRO 24 -8.155 -16.072 -21.521 151 HG3 PRO 24 HG3 PRO 24 -8.368 -14.316 -21.394 152 HD2 PRO 24 HD2 PRO 24 -8.755 -15.667 -23.709 153 HD3 PRO 24 HD3 PRO 24 -8.149 -13.999 -23.666 154 H SER 25 H SER 25 -3.351 -16.609 -22.571 155 HA SER 25 HA SER 25 -4.002 -19.347 -22.844 156 HB2 SER 25 HB2 SER 25 -1.604 -19.486 -21.650 157 HB3 SER 25 HB3 SER 25 -1.790 -19.043 -23.347 158 HG SER 25 HG SER 25 -0.588 -17.636 -21.576 159 HA PRO 26 HA PRO 26 -5.132 -20.669 -18.819 160 HB2 PRO 26 HB2 PRO 26 -3.765 -22.997 -18.527 161 HB3 PRO 26 HB3 PRO 26 -5.146 -22.824 -19.617 162 HG2 PRO 26 HG2 PRO 26 -2.219 -22.751 -20.241 163 HG3 PRO 26 HG3 PRO 26 -3.531 -23.556 -21.121 164 HD2 PRO 26 HD2 PRO 26 -2.489 -21.184 -21.909 165 HD3 PRO 26 HD3 PRO 26 -4.193 -21.611 -22.166 166 H GLN 27 H GLN 27 -1.668 -20.582 -19.465 167 HA GLN 27 HA GLN 27 -0.914 -20.685 -16.701 168 HB2 GLN 27 HB2 GLN 27 0.713 -19.810 -19.093 169 HB3 GLN 27 HB3 GLN 27 1.342 -20.226 -17.505 170 HG2 GLN 27 HG2 GLN 27 0.631 -22.517 -17.781 171 HG3 GLN 27 HG3 GLN 27 -0.115 -22.124 -19.329 172 HE21 GLN 27 HE21 GLN 27 1.201 -21.697 -21.113 173 HE22 GLN 27 HE22 GLN 27 2.861 -22.173 -21.155 174 H CYS 28 H CYS 28 -1.697 -18.192 -18.995 175 HA CYS 28 HA CYS 28 -0.533 -16.024 -17.560 176 HB2 CYS 28 HB2 CYS 28 -0.884 -15.394 -19.733 177 HB3 CYS 28 HB3 CYS 28 -2.371 -16.327 -19.876 178 H CYS 29 H CYS 29 -3.878 -17.204 -17.874 179 HA CYS 29 HA CYS 29 -5.167 -15.387 -16.258 180 HB2 CYS 29 HB2 CYS 29 -5.654 -18.291 -16.834 181 HB3 CYS 29 HB3 CYS 29 -6.675 -17.440 -15.680 182 H GLY 30 H GLY 30 -3.270 -18.202 -15.318 183 HA2 GLY 30 HA2 GLY 30 -3.941 -18.399 -12.634 184 HA3 GLY 30 HA3 GLY 30 -2.364 -18.802 -13.295 185 H GLY 31 H GLY 31 -1.580 -16.245 -14.168 186 HA2 GLY 31 HA2 GLY 31 -0.668 -15.158 -11.676 187 HA3 GLY 31 HA3 GLY 31 -0.304 -14.538 -13.279 188 H VAL 32 H VAL 32 -2.936 -14.091 -14.175 189 HA VAL 32 HA VAL 32 -3.416 -11.508 -13.298 190 HB VAL 32 HB VAL 32 -5.436 -13.422 -14.477 191 HG11 VAL 32 HG11 VAL 32 -5.425 -10.406 -14.435 192 HG12 VAL 32 HG12 VAL 32 -6.643 -11.441 -15.184 193 HG13 VAL 32 HG13 VAL 32 -6.445 -11.435 -13.431 194 HG21 VAL 32 HG21 VAL 32 -3.204 -12.919 -15.704 195 HG22 VAL 32 HG22 VAL 32 -4.723 -12.813 -16.594 196 HG23 VAL 32 HG23 VAL 32 -3.934 -11.344 -16.018 197 H LYS 33 H LYS 33 -5.211 -14.458 -12.411 198 HA LYS 33 HA LYS 33 -6.957 -13.282 -10.583 199 HB2 LYS 33 HB2 LYS 33 -5.815 -16.079 -10.460 200 HB3 LYS 33 HB3 LYS 33 -7.298 -15.524 -9.695 201 HG2 LYS 33 HG2 LYS 33 -8.488 -15.656 -11.598 202 HG3 LYS 33 HG3 LYS 33 -7.143 -15.112 -12.604 203 HD2 LYS 33 HD2 LYS 33 -6.697 -17.209 -13.189 204 HD3 LYS 33 HD3 LYS 33 -6.506 -17.667 -11.495 205 HE2 LYS 33 HE2 LYS 33 -9.284 -17.333 -12.400 206 HE3 LYS 33 HE3 LYS 33 -8.407 -18.663 -13.155 207 HZ1 LYS 33 HZ1 LYS 33 -9.088 -18.269 -10.319 208 HZ2 LYS 33 HZ2 LYS 33 -7.752 -19.218 -10.737 209 HZ3 LYS 33 HZ3 LYS 33 -9.294 -19.641 -11.287 210 H LYS 34 H LYS 34 -3.769 -14.751 -10.049 211 HA LYS 34 HA LYS 34 -3.697 -14.434 -7.262 212 HB2 LYS 34 HB2 LYS 34 -2.058 -15.861 -8.062 213 HB3 LYS 34 HB3 LYS 34 -1.631 -14.794 -9.393 214 HG2 LYS 34 HG2 LYS 34 -1.103 -13.803 -6.656 215 HG3 LYS 34 HG3 LYS 34 -0.088 -15.119 -7.252 216 HD2 LYS 34 HD2 LYS 34 -0.050 -13.490 -9.396 217 HD3 LYS 34 HD3 LYS 34 -0.245 -12.296 -8.110 218 HE2 LYS 34 HE2 LYS 34 1.747 -14.319 -7.474 219 HE3 LYS 34 HE3 LYS 34 2.131 -13.431 -8.947 220 HZ1 LYS 34 HZ1 LYS 34 1.441 -11.427 -7.362 221 HZ2 LYS 34 HZ2 LYS 34 3.026 -12.006 -7.469 222 HZ3 LYS 34 HZ3 LYS 34 2.030 -12.500 -6.194 223 H LEU 35 H LEU 35 -2.646 -12.297 -9.882 224 HA LEU 35 HA LEU 35 -1.499 -10.311 -8.234 225 HB2 LEU 35 HB2 LEU 35 -0.886 -10.292 -10.500 226 HB3 LEU 35 HB3 LEU 35 -2.564 -10.314 -11.039 227 HG LEU 35 HG LEU 35 -2.843 -8.004 -10.330 228 HD11 LEU 35 HD11 LEU 35 -0.547 -8.539 -8.772 229 HD12 LEU 35 HD12 LEU 35 -1.520 -7.069 -8.821 230 HD13 LEU 35 HD13 LEU 35 -0.135 -7.245 -9.897 231 HD21 LEU 35 HD21 LEU 35 -2.012 -8.494 -12.596 232 HD22 LEU 35 HD22 LEU 35 -0.357 -8.352 -12.003 233 HD23 LEU 35 HD23 LEU 35 -1.425 -6.948 -11.983 234 H LEU 36 H LEU 36 -4.677 -10.451 -9.843 235 HA LEU 36 HA LEU 36 -5.684 -8.069 -8.755 236 HB2 LEU 36 HB2 LEU 36 -6.990 -10.538 -9.849 237 HB3 LEU 36 HB3 LEU 36 -7.943 -9.198 -9.215 238 HG LEU 36 HG LEU 36 -5.977 -8.964 -11.491 239 HD11 LEU 36 HD11 LEU 36 -7.920 -10.434 -12.000 240 HD12 LEU 36 HD12 LEU 36 -7.851 -8.967 -12.977 241 HD13 LEU 36 HD13 LEU 36 -8.984 -9.077 -11.630 242 HD21 LEU 36 HD21 LEU 36 -6.406 -6.903 -10.186 243 HD22 LEU 36 HD22 LEU 36 -8.125 -7.072 -10.542 244 HD23 LEU 36 HD23 LEU 36 -6.974 -6.802 -11.852 245 H ALA 37 H ALA 37 -5.841 -11.412 -7.609 246 HA ALA 37 HA ALA 37 -7.555 -10.944 -5.419 247 HB1 ALA 37 HB1 ALA 37 -7.029 -13.176 -6.399 248 HB2 ALA 37 HB2 ALA 37 -5.448 -13.088 -5.622 249 HB3 ALA 37 HB3 ALA 37 -6.912 -13.112 -4.640 250 H ALA 38 H ALA 38 -4.250 -10.206 -5.938 251 HA ALA 38 HA ALA 38 -3.567 -10.077 -3.126 252 HB1 ALA 38 HB1 ALA 38 -1.543 -8.792 -4.453 253 HB2 ALA 38 HB2 ALA 38 -1.596 -10.517 -4.085 254 HB3 ALA 38 HB3 ALA 38 -2.130 -9.935 -5.662 255 H ALA 39 H ALA 39 -4.475 -7.890 -5.716 256 HA ALA 39 HA ALA 39 -3.878 -5.498 -4.256 257 HB1 ALA 39 HB1 ALA 39 -5.086 -4.360 -6.083 258 HB2 ALA 39 HB2 ALA 39 -3.841 -5.463 -6.671 259 HB3 ALA 39 HB3 ALA 39 -5.538 -5.936 -6.734 260 H ASN 40 H ASN 40 -5.087 -6.389 -2.307 261 HA ASN 40 HA ASN 40 -7.975 -5.915 -2.485 262 HB2 ASN 40 HB2 ASN 40 -6.444 -7.045 -0.138 263 HB3 ASN 40 HB3 ASN 40 -8.182 -7.106 -0.414 264 HD21 ASN 40 HD21 ASN 40 -8.283 -7.861 -3.046 265 HD22 ASN 40 HD22 ASN 40 -7.642 -9.457 -3.214 266 H THR 41 H THR 41 -5.177 -4.300 -1.696 267 HA THR 41 HA THR 41 -6.522 -2.584 0.280 268 HB THR 41 HB THR 41 -3.941 -1.692 0.242 269 HG1 THR 41 HG1 THR 41 -3.592 -4.477 0.254 270 HG21 THR 41 HG21 THR 41 -5.577 -3.420 1.948 271 HG22 THR 41 HG22 THR 41 -4.566 -2.039 2.373 272 HG23 THR 41 HG23 THR 41 -3.842 -3.634 2.170 273 H THR 42 H THR 42 -5.884 -0.228 0.136 274 HA THR 42 HA THR 42 -6.645 0.782 -2.403 275 HB THR 42 HB THR 42 -5.828 2.013 0.191 276 HG1 THR 42 HG1 THR 42 -7.894 2.664 0.151 277 HG21 THR 42 HG21 THR 42 -6.227 4.265 -1.054 278 HG22 THR 42 HG22 THR 42 -5.736 3.355 -2.483 279 HG23 THR 42 HG23 THR 42 -4.635 3.511 -1.116 280 HA PRO 43 HA PRO 43 -2.056 2.317 -2.643 281 HB2 PRO 43 HB2 PRO 43 -0.294 1.171 -0.925 282 HB3 PRO 43 HB3 PRO 43 -1.193 2.644 -0.539 283 HG2 PRO 43 HG2 PRO 43 -1.751 -0.184 0.272 284 HG3 PRO 43 HG3 PRO 43 -1.836 1.297 1.244 285 HD2 PRO 43 HD2 PRO 43 -4.034 0.116 0.192 286 HD3 PRO 43 HD3 PRO 43 -3.908 1.872 0.414 287 H ASP 44 H ASP 44 -3.183 -0.857 -2.345 288 HA ASP 44 HA ASP 44 -0.888 -2.096 -3.626 289 HB2 ASP 44 HB2 ASP 44 -3.402 -3.051 -2.364 290 HB3 ASP 44 HB3 ASP 44 -2.724 -4.054 -3.643 291 H ARG 45 H ARG 45 -4.208 -1.188 -4.404 292 HA ARG 45 HA ARG 45 -4.120 -2.296 -7.047 293 HB2 ARG 45 HB2 ARG 45 -6.052 -0.202 -6.063 294 HB3 ARG 45 HB3 ARG 45 -6.295 -1.389 -7.338 295 HG2 ARG 45 HG2 ARG 45 -5.711 -2.831 -4.991 296 HG3 ARG 45 HG3 ARG 45 -6.885 -1.587 -4.555 297 HD2 ARG 45 HD2 ARG 45 -7.970 -2.452 -6.854 298 HD3 ARG 45 HD3 ARG 45 -7.164 -3.931 -6.333 299 HE ARG 45 HE ARG 45 -8.483 -3.147 -4.113 300 HH11 ARG 45 HH11 ARG 45 -9.462 -3.615 -7.421 301 HH12 ARG 45 HH12 ARG 45 -11.086 -4.063 -7.013 302 HH21 ARG 45 HH21 ARG 45 -10.618 -3.734 -3.564 303 HH22 ARG 45 HH22 ARG 45 -11.742 -4.129 -4.820 304 H GLN 46 H GLN 46 -3.797 0.943 -5.655 305 HA GLN 46 HA GLN 46 -3.677 2.410 -8.021 306 HB2 GLN 46 HB2 GLN 46 -2.227 2.939 -5.422 307 HB3 GLN 46 HB3 GLN 46 -2.485 4.115 -6.704 308 HG2 GLN 46 HG2 GLN 46 -4.778 4.235 -6.297 309 HG3 GLN 46 HG3 GLN 46 -4.783 2.733 -5.374 310 HE21 GLN 46 HE21 GLN 46 -4.896 6.017 -5.152 311 HE22 GLN 46 HE22 GLN 46 -4.404 6.210 -3.507 312 H ALA 47 H ALA 47 -0.940 1.220 -6.064 313 HA ALA 47 HA ALA 47 1.094 1.954 -7.815 314 HB1 ALA 47 HB1 ALA 47 0.859 -0.109 -5.671 315 HB2 ALA 47 HB2 ALA 47 2.295 -0.074 -6.694 316 HB3 ALA 47 HB3 ALA 47 1.863 1.340 -5.734 317 H ALA 48 H ALA 48 -0.551 -1.195 -7.530 318 HA ALA 48 HA ALA 48 0.782 -2.549 -9.546 319 HB1 ALA 48 HB1 ALA 48 -2.153 -2.897 -8.994 320 HB2 ALA 48 HB2 ALA 48 -0.988 -4.107 -9.532 321 HB3 ALA 48 HB3 ALA 48 -0.901 -3.468 -7.891 322 H CYS 49 H CYS 49 -2.082 -0.470 -9.777 323 HA CYS 49 HA CYS 49 -2.530 -0.871 -12.539 324 HB2 CYS 49 HB2 CYS 49 -4.163 0.091 -10.857 325 HB3 CYS 49 HB3 CYS 49 -3.262 1.599 -10.964 326 H ASN 50 H ASN 50 -1.291 2.067 -10.935 327 HA ASN 50 HA ASN 50 -0.417 3.417 -13.156 328 HB2 ASN 50 HB2 ASN 50 0.964 3.356 -10.463 329 HB3 ASN 50 HB3 ASN 50 1.124 4.619 -11.680 330 HD21 ASN 50 HD21 ASN 50 -0.070 4.258 -8.828 331 HD22 ASN 50 HD22 ASN 50 -1.559 5.128 -8.934 332 H CYS 51 H CYS 51 1.302 0.930 -11.322 333 HA CYS 51 HA CYS 51 3.798 1.069 -12.487 334 HB2 CYS 51 HB2 CYS 51 2.195 -1.105 -11.245 335 HB3 CYS 51 HB3 CYS 51 3.613 -1.584 -12.172 336 H LEU 52 H LEU 52 1.032 -0.888 -13.589 337 HA LEU 52 HA LEU 52 2.366 -1.713 -15.984 338 HB2 LEU 52 HB2 LEU 52 -0.464 -1.932 -15.002 339 HB3 LEU 52 HB3 LEU 52 0.017 -2.489 -16.603 340 HG LEU 52 HG LEU 52 1.485 -3.522 -14.222 341 HD11 LEU 52 HD11 LEU 52 -1.241 -4.455 -15.107 342 HD12 LEU 52 HD12 LEU 52 -0.815 -3.764 -13.541 343 HD13 LEU 52 HD13 LEU 52 -0.173 -5.337 -14.014 344 HD21 LEU 52 HD21 LEU 52 0.613 -4.837 -16.790 345 HD22 LEU 52 HD22 LEU 52 1.764 -5.459 -15.607 346 HD23 LEU 52 HD23 LEU 52 2.164 -4.031 -16.562 347 H LYS 53 H LYS 53 0.435 0.985 -15.051 348 HA LYS 53 HA LYS 53 -0.554 1.742 -17.587 349 HB2 LYS 53 HB2 LYS 53 0.021 3.354 -15.098 350 HB3 LYS 53 HB3 LYS 53 -0.762 4.020 -16.525 351 HG2 LYS 53 HG2 LYS 53 -2.009 1.566 -15.567 352 HG3 LYS 53 HG3 LYS 53 -2.031 2.879 -14.387 353 HD2 LYS 53 HD2 LYS 53 -4.030 2.905 -15.802 354 HD3 LYS 53 HD3 LYS 53 -3.055 4.358 -16.034 355 HE2 LYS 53 HE2 LYS 53 -2.500 2.068 -17.826 356 HE3 LYS 53 HE3 LYS 53 -4.030 2.911 -18.064 357 HZ1 LYS 53 HZ1 LYS 53 -2.187 4.909 -17.805 358 HZ2 LYS 53 HZ2 LYS 53 -2.865 4.361 -19.254 359 HZ3 LYS 53 HZ3 LYS 53 -1.380 3.744 -18.729 360 H SER 54 H SER 54 2.402 2.577 -15.828 361 HA SER 54 HA SER 54 3.341 4.385 -17.839 362 HB2 SER 54 HB2 SER 54 4.283 4.903 -15.797 363 HB3 SER 54 HB3 SER 54 4.456 3.212 -15.327 364 HG SER 54 HG SER 54 6.429 3.359 -16.001 365 H ALA 55 H ALA 55 3.969 1.011 -17.004 366 HA ALA 55 HA ALA 55 6.030 0.636 -18.936 367 HB1 ALA 55 HB1 ALA 55 6.132 -0.895 -17.206 368 HB2 ALA 55 HB2 ALA 55 4.393 -1.194 -17.229 369 HB3 ALA 55 HB3 ALA 55 5.417 -1.847 -18.508 370 H ALA 56 H ALA 56 2.697 0.983 -19.214 371 HA ALA 56 HA ALA 56 2.422 -0.717 -21.557 372 HB1 ALA 56 HB1 ALA 56 0.436 -0.846 -20.478 373 HB2 ALA 56 HB2 ALA 56 0.576 0.773 -19.792 374 HB3 ALA 56 HB3 ALA 56 0.080 0.567 -21.472 375 H GLY 57 H GLY 57 3.036 2.594 -20.771 376 HA2 GLY 57 HA2 GLY 57 2.166 3.754 -23.220 377 HA3 GLY 57 HA3 GLY 57 3.265 4.486 -22.061 378 H SER 58 H SER 58 5.033 2.049 -22.289 379 HA SER 58 HA SER 58 6.545 3.024 -24.575 380 HB2 SER 58 HB2 SER 58 7.308 0.924 -22.532 381 HB3 SER 58 HB3 SER 58 8.386 1.700 -23.691 382 HG SER 58 HG SER 58 8.538 3.360 -22.412 383 H ILE 59 H ILE 59 4.108 0.956 -24.318 384 HA ILE 59 HA ILE 59 5.257 -1.073 -26.109 385 HB ILE 59 HB ILE 59 2.542 -1.261 -24.836 386 HG12 ILE 59 HG12 ILE 59 5.180 -2.150 -23.650 387 HG13 ILE 59 HG13 ILE 59 4.138 -0.879 -23.021 388 HG21 ILE 59 HG21 ILE 59 4.037 -2.859 -26.620 389 HG22 ILE 59 HG22 ILE 59 3.954 -3.724 -25.087 390 HG23 ILE 59 HG23 ILE 59 2.471 -3.212 -25.890 391 HD11 ILE 59 HD11 ILE 59 3.342 -2.479 -21.691 392 HD12 ILE 59 HD12 ILE 59 2.438 -3.004 -23.112 393 HD13 ILE 59 HD13 ILE 59 3.972 -3.773 -22.710 394 H THR 60 H THR 60 4.767 -1.036 -28.197 395 HA THR 60 HA THR 60 2.688 0.797 -29.127 396 HB THR 60 HB THR 60 5.058 0.786 -30.089 397 HG1 THR 60 HG1 THR 60 2.652 0.724 -31.545 398 HG21 THR 60 HG21 THR 60 4.063 -1.486 -31.778 399 HG22 THR 60 HG22 THR 60 4.980 -1.786 -30.302 400 HG23 THR 60 HG23 THR 60 5.703 -0.859 -31.616 401 H LYS 61 H LYS 61 3.439 -2.593 -28.944 402 HA LYS 61 HA LYS 61 1.247 -3.313 -30.726 403 HB2 LYS 61 HB2 LYS 61 3.491 -4.791 -29.418 404 HB3 LYS 61 HB3 LYS 61 2.062 -5.691 -29.910 405 HG2 LYS 61 HG2 LYS 61 2.360 -5.068 -32.189 406 HG3 LYS 61 HG3 LYS 61 3.635 -3.922 -31.767 407 HD2 LYS 61 HD2 LYS 61 4.654 -5.906 -32.657 408 HD3 LYS 61 HD3 LYS 61 4.989 -5.834 -30.926 409 HE2 LYS 61 HE2 LYS 61 3.180 -7.418 -30.505 410 HE3 LYS 61 HE3 LYS 61 2.816 -7.472 -32.229 411 HZ1 LYS 61 HZ1 LYS 61 5.427 -8.076 -32.201 412 HZ2 LYS 61 HZ2 LYS 61 4.187 -9.225 -32.204 413 HZ3 LYS 61 HZ3 LYS 61 4.924 -8.781 -30.748 414 H LEU 62 H LEU 62 1.111 -2.111 -27.865 415 HA LEU 62 HA LEU 62 -0.105 -4.044 -26.205 416 HB2 LEU 62 HB2 LEU 62 0.783 -2.022 -25.269 417 HB3 LEU 62 HB3 LEU 62 -0.304 -1.039 -26.248 418 HG LEU 62 HG LEU 62 -2.192 -2.211 -24.941 419 HD11 LEU 62 HD11 LEU 62 0.076 -3.462 -23.778 420 HD12 LEU 62 HD12 LEU 62 -1.630 -3.696 -23.399 421 HD13 LEU 62 HD13 LEU 62 -0.698 -2.465 -22.547 422 HD21 LEU 62 HD21 LEU 62 -0.651 -0.486 -23.098 423 HD22 LEU 62 HD22 LEU 62 -2.326 -0.365 -23.635 424 HD23 LEU 62 HD23 LEU 62 -1.021 0.180 -24.689 425 H ASN 63 H ASN 63 -2.045 -4.952 -26.315 426 HA ASN 63 HA ASN 63 -4.061 -3.739 -28.075 427 HB2 ASN 63 HB2 ASN 63 -3.631 -6.580 -27.152 428 HB3 ASN 63 HB3 ASN 63 -5.109 -6.060 -27.956 429 HD21 ASN 63 HD21 ASN 63 -5.131 -6.542 -30.016 430 HD22 ASN 63 HD22 ASN 63 -3.771 -6.553 -31.081 431 H THR 64 H THR 64 -4.934 -2.270 -26.604 432 HA THR 64 HA THR 64 -5.649 -2.702 -23.974 433 HB THR 64 HB THR 64 -7.217 -0.872 -24.180 434 HG1 THR 64 HG1 THR 64 -8.360 -1.001 -25.981 435 HG21 THR 64 HG21 THR 64 -5.587 0.642 -24.448 436 HG22 THR 64 HG22 THR 64 -5.317 0.174 -26.127 437 HG23 THR 64 HG23 THR 64 -4.539 -0.724 -24.824 438 H ASN 65 H ASN 65 -7.191 -3.834 -26.873 439 HA ASN 65 HA ASN 65 -9.745 -4.402 -25.823 440 HB2 ASN 65 HB2 ASN 65 -8.184 -5.242 -28.212 441 HB3 ASN 65 HB3 ASN 65 -9.553 -6.250 -27.753 442 HD21 ASN 65 HD21 ASN 65 -11.515 -5.647 -28.369 443 HD22 ASN 65 HD22 ASN 65 -11.923 -4.113 -29.052 444 H ASN 66 H ASN 66 -6.787 -6.337 -26.049 445 HA ASN 66 HA ASN 66 -7.983 -8.665 -24.880 446 HB2 ASN 66 HB2 ASN 66 -5.104 -7.910 -25.413 447 HB3 ASN 66 HB3 ASN 66 -5.597 -9.466 -24.750 448 HD21 ASN 66 HD21 ASN 66 -4.436 -8.341 -27.398 449 HD22 ASN 66 HD22 ASN 66 -5.341 -9.193 -28.599 450 H ALA 67 H ALA 67 -6.573 -5.779 -23.678 451 HA ALA 67 HA ALA 67 -5.754 -6.790 -21.131 452 HB1 ALA 67 HB1 ALA 67 -4.644 -4.846 -21.768 453 HB2 ALA 67 HB2 ALA 67 -6.135 -4.041 -22.263 454 HB3 ALA 67 HB3 ALA 67 -5.790 -4.284 -20.550 455 H ALA 68 H ALA 68 -8.660 -5.244 -22.397 456 HA ALA 68 HA ALA 68 -9.932 -4.999 -19.843 457 HB1 ALA 68 HB1 ALA 68 -10.544 -4.316 -22.603 458 HB2 ALA 68 HB2 ALA 68 -11.951 -4.895 -21.710 459 HB3 ALA 68 HB3 ALA 68 -11.027 -3.521 -21.105 460 H ALA 69 H ALA 69 -10.046 -7.321 -22.498 461 HA ALA 69 HA ALA 69 -12.090 -8.906 -21.190 462 HB1 ALA 69 HB1 ALA 69 -12.248 -8.812 -23.555 463 HB2 ALA 69 HB2 ALA 69 -10.555 -9.267 -23.754 464 HB3 ALA 69 HB3 ALA 69 -11.719 -10.444 -23.146 465 H LEU 70 H LEU 70 -8.765 -8.592 -20.953 466 HA LEU 70 HA LEU 70 -7.816 -11.191 -20.716 467 HB2 LEU 70 HB2 LEU 70 -6.117 -9.678 -20.644 468 HB3 LEU 70 HB3 LEU 70 -7.021 -8.548 -19.638 469 HG LEU 70 HG LEU 70 -6.580 -9.981 -17.679 470 HD11 LEU 70 HD11 LEU 70 -5.756 -11.828 -19.701 471 HD12 LEU 70 HD12 LEU 70 -5.964 -12.089 -17.969 472 HD13 LEU 70 HD13 LEU 70 -4.415 -11.522 -18.596 473 HD21 LEU 70 HD21 LEU 70 -3.937 -9.429 -18.961 474 HD22 LEU 70 HD22 LEU 70 -4.459 -9.151 -17.299 475 HD23 LEU 70 HD23 LEU 70 -5.035 -8.098 -18.592 476 HA PRO 71 HA PRO 71 -8.903 -11.080 -16.010 477 HB2 PRO 71 HB2 PRO 71 -10.473 -9.043 -15.141 478 HB3 PRO 71 HB3 PRO 71 -8.708 -8.946 -15.180 479 HG2 PRO 71 HG2 PRO 71 -10.708 -7.865 -17.127 480 HG3 PRO 71 HG3 PRO 71 -9.244 -7.098 -16.485 481 HD2 PRO 71 HD2 PRO 71 -9.332 -8.243 -18.937 482 HD3 PRO 71 HD3 PRO 71 -7.861 -8.225 -17.943 483 H GLY 72 H GLY 72 -11.270 -9.963 -18.348 484 HA2 GLY 72 HA2 GLY 72 -13.557 -11.020 -17.008 485 HA3 GLY 72 HA3 GLY 72 -13.479 -10.517 -18.690 486 H LYS 73 H LYS 73 -11.572 -12.200 -19.711 487 HA LYS 73 HA LYS 73 -13.058 -14.582 -20.095 488 HB2 LYS 73 HB2 LYS 73 -10.235 -13.836 -20.867 489 HB3 LYS 73 HB3 LYS 73 -11.019 -15.329 -21.365 490 HG2 LYS 73 HG2 LYS 73 -12.746 -13.161 -21.992 491 HG3 LYS 73 HG3 LYS 73 -11.129 -12.786 -22.593 492 HD2 LYS 73 HD2 LYS 73 -11.132 -15.142 -23.574 493 HD3 LYS 73 HD3 LYS 73 -12.866 -15.153 -23.243 494 HE2 LYS 73 HE2 LYS 73 -13.159 -13.179 -24.636 495 HE3 LYS 73 HE3 LYS 73 -11.422 -13.109 -24.929 496 HZ1 LYS 73 HZ1 LYS 73 -13.425 -14.898 -26.058 497 HZ2 LYS 73 HZ2 LYS 73 -11.908 -15.573 -25.732 498 HZ3 LYS 73 HZ3 LYS 73 -12.037 -14.241 -26.768 499 H CYS 74 H CYS 74 -10.626 -13.658 -17.838 500 HA CYS 74 HA CYS 74 -9.956 -16.399 -17.136 501 HB2 CYS 74 HB2 CYS 74 -9.051 -13.738 -16.024 502 HB3 CYS 74 HB3 CYS 74 -8.503 -15.293 -15.408 503 H GLY 75 H GLY 75 -12.589 -14.663 -16.621 504 HA2 GLY 75 HA2 GLY 75 -14.268 -14.693 -15.057 505 HA3 GLY 75 HA3 GLY 75 -13.542 -16.184 -14.478 506 H VAL 76 H VAL 76 -13.186 -12.654 -14.295 507 HA VAL 76 HA VAL 76 -12.433 -12.978 -11.468 508 HB VAL 76 HB VAL 76 -11.240 -10.865 -13.258 509 HG11 VAL 76 HG11 VAL 76 -9.540 -11.263 -11.165 510 HG12 VAL 76 HG12 VAL 76 -10.776 -10.006 -11.238 511 HG13 VAL 76 HG13 VAL 76 -11.110 -11.527 -10.408 512 HG21 VAL 76 HG21 VAL 76 -10.502 -13.029 -14.067 513 HG22 VAL 76 HG22 VAL 76 -9.177 -12.212 -13.238 514 HG23 VAL 76 HG23 VAL 76 -10.053 -13.514 -12.432 515 H ASN 77 H ASN 77 -12.986 -11.216 -10.091 516 HA ASN 77 HA ASN 77 -15.457 -9.950 -10.840 517 HB2 ASN 77 HB2 ASN 77 -13.903 -9.411 -8.315 518 HB3 ASN 77 HB3 ASN 77 -15.641 -9.297 -8.572 519 HD21 ASN 77 HD21 ASN 77 -16.237 -11.644 -9.771 520 HD22 ASN 77 HD22 ASN 77 -15.894 -12.964 -8.710 521 H ILE 78 H ILE 78 -15.127 -8.394 -12.367 522 HA ILE 78 HA ILE 78 -13.845 -5.953 -11.452 523 HB ILE 78 HB ILE 78 -13.024 -7.283 -14.037 524 HG12 ILE 78 HG12 ILE 78 -11.456 -6.645 -11.528 525 HG13 ILE 78 HG13 ILE 78 -11.926 -8.251 -12.074 526 HG21 ILE 78 HG21 ILE 78 -12.479 -5.271 -14.794 527 HG22 ILE 78 HG22 ILE 78 -13.117 -4.537 -13.324 528 HG23 ILE 78 HG23 ILE 78 -11.425 -5.029 -13.401 529 HD11 ILE 78 HD11 ILE 78 -10.069 -8.400 -13.256 530 HD12 ILE 78 HD12 ILE 78 -10.513 -6.960 -14.174 531 HD13 ILE 78 HD13 ILE 78 -9.586 -6.805 -12.682 532 HA PRO 79 HA PRO 79 -17.792 -5.190 -13.685 533 HB2 PRO 79 HB2 PRO 79 -18.588 -3.197 -12.023 534 HB3 PRO 79 HB3 PRO 79 -18.874 -4.907 -11.678 535 HG2 PRO 79 HG2 PRO 79 -16.733 -3.096 -10.630 536 HG3 PRO 79 HG3 PRO 79 -17.707 -4.297 -9.762 537 HD2 PRO 79 HD2 PRO 79 -15.167 -4.786 -10.563 538 HD3 PRO 79 HD3 PRO 79 -16.403 -6.058 -10.478 539 H TYR 80 H TYR 80 -14.917 -3.540 -13.176 540 HA TYR 80 HA TYR 80 -15.634 -0.977 -14.206 541 HB2 TYR 80 HB2 TYR 80 -13.038 -2.387 -13.678 542 HB3 TYR 80 HB3 TYR 80 -13.055 -0.870 -14.570 543 HD1 TYR 80 HD1 TYR 80 -12.449 0.925 -13.267 544 HD2 TYR 80 HD2 TYR 80 -14.791 -2.164 -11.515 545 HE1 TYR 80 HE1 TYR 80 -12.500 2.174 -11.149 546 HE2 TYR 80 HE2 TYR 80 -14.849 -0.924 -9.392 547 HH TYR 80 HH TYR 80 -13.229 0.903 -8.284 548 H LYS 81 H LYS 81 -15.243 -0.111 -16.250 549 HA LYS 81 HA LYS 81 -15.537 -1.969 -18.420 550 HB2 LYS 81 HB2 LYS 81 -15.492 1.016 -18.167 551 HB3 LYS 81 HB3 LYS 81 -15.333 0.277 -19.755 552 HG2 LYS 81 HG2 LYS 81 -17.602 0.667 -19.594 553 HG3 LYS 81 HG3 LYS 81 -17.466 -1.025 -19.109 554 HD2 LYS 81 HD2 LYS 81 -17.703 -0.481 -16.816 555 HD3 LYS 81 HD3 LYS 81 -17.474 1.241 -17.128 556 HE2 LYS 81 HE2 LYS 81 -19.757 1.135 -16.886 557 HE3 LYS 81 HE3 LYS 81 -19.595 0.943 -18.631 558 HZ1 LYS 81 HZ1 LYS 81 -19.581 -1.477 -16.992 559 HZ2 LYS 81 HZ2 LYS 81 -20.205 -1.227 -18.543 560 HZ3 LYS 81 HZ3 LYS 81 -21.059 -0.679 -17.190 561 H ILE 82 H ILE 82 -12.899 -0.924 -16.745 562 HA ILE 82 HA ILE 82 -10.653 -0.985 -17.104 563 HB ILE 82 HB ILE 82 -11.597 -2.722 -19.370 564 HG12 ILE 82 HG12 ILE 82 -11.751 -3.547 -17.022 565 HG13 ILE 82 HG13 ILE 82 -10.680 -4.516 -18.030 566 HG21 ILE 82 HG21 ILE 82 -8.982 -3.320 -19.250 567 HG22 ILE 82 HG22 ILE 82 -9.662 -2.161 -20.390 568 HG23 ILE 82 HG23 ILE 82 -8.912 -1.594 -18.899 569 HD11 ILE 82 HD11 ILE 82 -10.124 -3.270 -15.561 570 HD12 ILE 82 HD12 ILE 82 -9.046 -4.227 -16.577 571 HD13 ILE 82 HD13 ILE 82 -9.140 -2.479 -16.792 572 H SER 83 H SER 83 -10.099 1.101 -17.489 573 HA SER 83 HA SER 83 -9.811 1.877 -20.306 574 HB2 SER 83 HB2 SER 83 -11.732 3.112 -19.703 575 HB3 SER 83 HB3 SER 83 -11.094 3.486 -18.103 576 HG SER 83 HG SER 83 -10.765 4.815 -20.444 577 H THR 84 H THR 84 -7.690 2.013 -20.603 578 HA THR 84 HA THR 84 -5.760 2.355 -18.612 579 HB THR 84 HB THR 84 -4.164 2.798 -20.426 580 HG1 THR 84 HG1 THR 84 -5.096 2.788 -22.613 581 HG21 THR 84 HG21 THR 84 -5.518 0.751 -21.875 582 HG22 THR 84 HG22 THR 84 -5.816 0.508 -20.153 583 HG23 THR 84 HG23 THR 84 -4.162 0.597 -20.758 584 H THR 85 H THR 85 -7.772 4.650 -20.159 585 HA THR 85 HA THR 85 -6.048 6.918 -19.666 586 HB THR 85 HB THR 85 -7.841 8.285 -20.540 587 HG1 THR 85 HG1 THR 85 -9.823 7.634 -20.241 588 HG21 THR 85 HG21 THR 85 -7.726 5.758 -22.184 589 HG22 THR 85 HG22 THR 85 -6.425 6.947 -22.120 590 HG23 THR 85 HG23 THR 85 -8.005 7.401 -22.759 591 H THR 86 H THR 86 -7.983 5.028 -17.754 592 HA THR 86 HA THR 86 -9.157 7.067 -16.108 593 HB THR 86 HB THR 86 -8.824 4.096 -15.673 594 HG1 THR 86 HG1 THR 86 -11.266 4.446 -15.901 595 HG21 THR 86 HG21 THR 86 -10.703 4.630 -13.930 596 HG22 THR 86 HG22 THR 86 -9.976 6.238 -13.935 597 HG23 THR 86 HG23 THR 86 -9.007 4.833 -13.491 598 H ASN 87 H ASN 87 -8.509 7.766 -14.092 599 HA ASN 87 HA ASN 87 -5.671 7.554 -13.560 600 HB2 ASN 87 HB2 ASN 87 -7.284 9.648 -13.353 601 HB3 ASN 87 HB3 ASN 87 -7.526 9.011 -11.729 602 HD21 ASN 87 HD21 ASN 87 -6.550 10.910 -10.915 603 HD22 ASN 87 HD22 ASN 87 -4.833 11.099 -10.927 604 H CYS 88 H CYS 88 -4.983 5.798 -12.520 605 HA CYS 88 HA CYS 88 -6.615 4.275 -10.749 606 HB2 CYS 88 HB2 CYS 88 -3.612 4.100 -10.892 607 HB3 CYS 88 HB3 CYS 88 -4.768 2.823 -10.528 608 H ASN 89 H ASN 89 -5.010 7.161 -10.338 609 HA ASN 89 HA ASN 89 -4.126 6.780 -7.627 610 HB2 ASN 89 HB2 ASN 89 -4.326 9.152 -9.465 611 HB3 ASN 89 HB3 ASN 89 -3.962 9.366 -7.755 612 HD21 ASN 89 HD21 ASN 89 -2.110 10.271 -9.341 613 HD22 ASN 89 HD22 ASN 89 -0.744 9.217 -9.436 614 H THR 90 H THR 90 -7.075 7.556 -9.174 615 HA THR 90 HA THR 90 -8.213 8.794 -6.787 616 HB THR 90 HB THR 90 -10.245 9.106 -8.165 617 HG1 THR 90 HG1 THR 90 -8.691 8.098 -10.326 618 HG21 THR 90 HG21 THR 90 -8.193 10.152 -9.988 619 HG22 THR 90 HG22 THR 90 -7.913 10.511 -8.284 620 HG23 THR 90 HG23 THR 90 -9.420 11.005 -9.053 621 H VAL 91 H VAL 91 -7.502 5.791 -7.422 622 HA VAL 91 HA VAL 91 -10.095 4.569 -6.876 623 HB VAL 91 HB VAL 91 -9.154 2.500 -7.404 624 HG11 VAL 91 HG11 VAL 91 -7.920 2.838 -9.503 625 HG12 VAL 91 HG12 VAL 91 -9.307 3.921 -9.367 626 HG13 VAL 91 HG13 VAL 91 -7.678 4.532 -9.075 627 HG21 VAL 91 HG21 VAL 91 -6.468 2.595 -7.724 628 HG22 VAL 91 HG22 VAL 91 -6.679 3.717 -6.380 629 HG23 VAL 91 HG23 VAL 91 -7.271 2.061 -6.247 630 H LYS 92 H LYS 92 -8.305 6.208 -4.960 631 HA LYS 92 HA LYS 92 -7.533 4.388 -2.902 632 HB2 LYS 92 HB2 LYS 92 -7.262 6.439 -1.526 633 HB3 LYS 92 HB3 LYS 92 -6.423 6.524 -3.070 634 HG2 LYS 92 HG2 LYS 92 -8.808 7.634 -3.718 635 HG3 LYS 92 HG3 LYS 92 -8.640 8.136 -2.034 636 HD2 LYS 92 HD2 LYS 92 -6.490 8.500 -4.116 637 HD3 LYS 92 HD3 LYS 92 -7.685 9.735 -3.713 638 HE2 LYS 92 HE2 LYS 92 -6.089 10.403 -2.262 639 HE3 LYS 92 HE3 LYS 92 -6.788 9.140 -1.250 640 HZ1 LYS 92 HZ1 LYS 92 -4.637 8.435 -3.118 641 HZ2 LYS 92 HZ2 LYS 92 -5.039 7.739 -1.630 642 HZ3 LYS 92 HZ3 LYS 92 -4.237 9.227 -1.678 643 H PHE 93 H PHE 93 -8.914 3.271 -1.703 644 HA PHE 93 HA PHE 93 -11.669 3.934 -1.470 645 HB2 PHE 93 HB2 PHE 93 -11.150 1.631 -1.363 646 HB3 PHE 93 HB3 PHE 93 -9.910 1.883 -0.139 647 HD1 PHE 93 HD1 PHE 93 -13.577 2.302 -0.649 648 HD2 PHE 93 HD2 PHE 93 -10.412 1.435 2.061 649 HE1 PHE 93 HE1 PHE 93 -15.224 1.809 1.111 650 HE2 PHE 93 HE2 PHE 93 -12.053 0.939 3.825 651 HZ PHE 93 HZ PHE 93 -14.463 1.125 3.352 652 HC11 PGM 101 H11 PPG 103 9.496 -4.481 -21.682 653 HC12 PGM 101 H12 PPG 103 9.254 -3.525 -22.990 654 HO1 PGM 101 H1 PPG 103 11.354 -5.336 -22.579 655 HC2 PGM 101 H2A PPG 103 11.649 -3.076 -21.386 656 HO2 PGM 101 H2 PPG 103 11.060 -2.160 -23.583 657 HC31 PGM 101 H31 PPG 103 8.910 -2.091 -20.989 658 HC32 PGM 101 H32 PPG 103 10.197 -1.308 -20.340 659 HC71 PGM 101 H91 PPG 103 7.523 -4.818 -17.821 660 HC72 PGM 101 H92 PPG 103 8.215 -4.729 -19.289 661 HC8 PGM 101 H10A PPG 103 6.373 -6.229 -19.366 662 HO8 PGM 101 H10 PPG 103 5.016 -4.840 -20.940 663 HC91 PGM 101 H111 PPG 103 4.970 -3.853 -18.393 664 HC92 PGM 101 H112 PPG 103 4.887 -5.339 -17.734 665 HCB1 PGM 101 H151 PPG 103 1.627 -5.196 -20.759 666 HCB2 PGM 101 H152 PPG 103 1.489 -3.594 -21.027 667 HCC1 PGM 101 H161 PPG 103 0.449 -3.465 -18.759 668 HCC2 PGM 101 H162 PPG 103 0.323 -5.089 -18.842 669 HCD1 PGM 101 H171 PPG 103 -0.728 -4.718 -21.072 670 HCD2 PGM 101 H172 PPG 103 -0.894 -3.170 -20.602 671 HCE1 PGM 101 H181 PPG 103 -1.919 -4.987 -18.744 672 HCE2 PGM 101 H182 PPG 103 -2.689 -5.051 -20.176 673 HCF1 PGM 101 H191 PPG 103 -3.852 -3.628 -18.785 674 HCF2 PGM 101 H192 PPG 103 -3.183 -2.752 -19.985 675 HCG1 PGM 101 H201 PPG 103 -2.551 -1.372 -18.434 676 HCG2 PGM 101 H202 PPG 103 -1.412 -2.476 -18.076 677 HCH1 PGM 101 H211 PPG 103 -2.387 -2.056 -16.042 678 HCH2 PGM 101 H212 PPG 103 -3.117 -3.440 -16.513 679 HCI1 PGM 101 H221 PPG 103 -5.053 -2.405 -17.013 680 HCI2 PGM 101 H222 PPG 103 -4.297 -1.032 -17.483 681 HCJ1 PGM 101 H231 PPG 103 -5.015 -0.178 -15.605 682 HCJ2 PGM 101 H232 PPG 103 -3.832 -1.054 -14.889 683 HCK1 PGM 101 H241 PPG 103 -5.925 -2.741 -15.131 684 HCK2 PGM 101 H242 PPG 103 -6.560 -1.343 -14.577 685 HCL1 PGM 101 H251 PPG 103 -5.408 -1.454 -12.615 686 HCL2 PGM 101 H252 PPG 103 -4.183 -2.315 -13.274 687 HCM1 PGM 101 H261 PPG 103 -6.826 -3.508 -13.206 688 HCM2 PGM 101 H262 PPG 103 -5.899 -3.610 -11.869 689 HCN1 PGM 101 H271 PPG 103 -4.697 -4.257 -14.391 690 HCN2 PGM 101 H272 PPG 103 -5.616 -5.398 -13.682 691 HCO1 PGM 101 H281 PPG 103 -3.774 -4.096 -11.978 692 HCO2 PGM 101 H282 PPG 103 -3.091 -5.075 -13.101 693 HCP1 PGM 101 H291 PPG 103 -3.229 -6.179 -11.036 694 HCP2 PGM 101 H292 PPG 103 -4.848 -5.961 -11.016 695 HCP3 PGM 101 H293 PPG 103 -4.178 -6.935 -12.136 Start of MODEL 12 1 H ALA 1 H ALA 1 1.572 -0.182 -1.019 2 HA ALA 1 HA ALA 1 3.836 -0.182 -1.255 3 HB1 ALA 1 HB1 ALA 1 3.485 -0.407 1.320 4 HB2 ALA 1 HB2 ALA 1 4.119 -2.034 1.067 5 HB3 ALA 1 HB3 ALA 1 5.090 -0.631 0.622 6 H ILE 2 H ILE 2 2.407 -2.085 -2.769 7 HA ILE 2 HA ILE 2 3.623 -4.653 -2.653 8 HB ILE 2 HB ILE 2 2.550 -5.113 -4.751 9 HG12 ILE 2 HG12 ILE 2 2.047 -2.134 -4.919 10 HG13 ILE 2 HG13 ILE 2 3.143 -3.059 -5.939 11 HG21 ILE 2 HG21 ILE 2 0.531 -5.209 -3.813 12 HG22 ILE 2 HG22 ILE 2 1.225 -4.306 -2.468 13 HG23 ILE 2 HG23 ILE 2 0.386 -3.452 -3.762 14 HD11 ILE 2 HD11 ILE 2 1.497 -3.453 -7.354 15 HD12 ILE 2 HD12 ILE 2 0.571 -4.250 -6.082 16 HD13 ILE 2 HD13 ILE 2 0.404 -2.514 -6.337 17 H SER 3 H SER 3 4.714 -5.519 -4.744 18 HA SER 3 HA SER 3 6.992 -3.753 -5.284 19 HB2 SER 3 HB2 SER 3 6.617 -6.729 -5.294 20 HB3 SER 3 HB3 SER 3 7.926 -6.012 -6.234 21 HG SER 3 HG SER 3 8.942 -6.084 -4.390 22 H CYS 4 H CYS 4 6.812 -2.598 -7.083 23 HA CYS 4 HA CYS 4 5.054 -2.975 -9.171 24 HB2 CYS 4 HB2 CYS 4 6.586 -0.966 -8.635 25 HB3 CYS 4 HB3 CYS 4 7.786 -1.796 -9.621 26 H GLY 5 H GLY 5 8.335 -4.238 -8.802 27 HA2 GLY 5 HA2 GLY 5 8.708 -5.285 -11.357 28 HA3 GLY 5 HA3 GLY 5 9.437 -5.929 -9.894 29 H ALA 6 H ALA 6 6.786 -6.495 -8.705 30 HA ALA 6 HA ALA 6 6.421 -9.093 -9.937 31 HB1 ALA 6 HB1 ALA 6 4.892 -8.020 -7.584 32 HB2 ALA 6 HB2 ALA 6 5.222 -9.700 -8.007 33 HB3 ALA 6 HB3 ALA 6 6.527 -8.662 -7.433 34 H VAL 7 H VAL 7 4.909 -6.012 -9.982 35 HA VAL 7 HA VAL 7 2.263 -6.823 -10.614 36 HB VAL 7 HB VAL 7 3.633 -4.227 -11.330 37 HG11 VAL 7 HG11 VAL 7 0.811 -4.077 -10.763 38 HG12 VAL 7 HG12 VAL 7 1.699 -3.548 -12.194 39 HG13 VAL 7 HG13 VAL 7 1.130 -5.213 -12.073 40 HG21 VAL 7 HG21 VAL 7 1.902 -4.763 -8.928 41 HG22 VAL 7 HG22 VAL 7 3.662 -4.876 -8.884 42 HG23 VAL 7 HG23 VAL 7 2.886 -3.339 -9.266 43 H THR 8 H THR 8 4.957 -5.681 -12.645 44 HA THR 8 HA THR 8 3.550 -6.177 -15.089 45 HB THR 8 HB THR 8 5.668 -5.662 -16.206 46 HG1 THR 8 HG1 THR 8 6.781 -5.461 -13.590 47 HG21 THR 8 HG21 THR 8 4.178 -3.940 -14.606 48 HG22 THR 8 HG22 THR 8 5.302 -3.481 -15.886 49 HG23 THR 8 HG23 THR 8 5.856 -3.567 -14.214 50 H SER 9 H SER 9 5.934 -7.908 -13.163 51 HA SER 9 HA SER 9 6.605 -9.892 -15.032 52 HB2 SER 9 HB2 SER 9 6.782 -9.627 -12.068 53 HB3 SER 9 HB3 SER 9 6.978 -11.236 -12.761 54 HG SER 9 HG SER 9 8.981 -10.217 -12.637 55 H ASP 10 H ASP 10 4.018 -9.711 -12.635 56 HA ASP 10 HA ASP 10 3.047 -12.318 -12.848 57 HB2 ASP 10 HB2 ASP 10 1.754 -9.701 -12.127 58 HB3 ASP 10 HB3 ASP 10 0.805 -11.183 -12.207 59 H LEU 11 H LEU 11 2.855 -9.676 -15.047 60 HA LEU 11 HA LEU 11 0.763 -11.009 -16.612 61 HB2 LEU 11 HB2 LEU 11 1.919 -8.238 -16.667 62 HB3 LEU 11 HB3 LEU 11 0.920 -8.856 -17.980 63 HG LEU 11 HG LEU 11 0.099 -8.366 -15.123 64 HD11 LEU 11 HD11 LEU 11 -0.817 -7.197 -17.747 65 HD12 LEU 11 HD12 LEU 11 0.158 -6.384 -16.523 66 HD13 LEU 11 HD13 LEU 11 -1.509 -6.836 -16.164 67 HD21 LEU 11 HD21 LEU 11 -1.010 -10.170 -17.139 68 HD22 LEU 11 HD22 LEU 11 -2.179 -9.023 -16.483 69 HD23 LEU 11 HD23 LEU 11 -1.293 -10.097 -15.399 70 H SER 12 H SER 12 3.744 -11.678 -16.350 71 HA SER 12 HA SER 12 5.108 -11.129 -18.704 72 HB2 SER 12 HB2 SER 12 6.554 -12.189 -17.315 73 HB3 SER 12 HB3 SER 12 5.284 -13.165 -16.578 74 HG SER 12 HG SER 12 6.300 -14.661 -17.708 75 HA PRO 13 HA PRO 13 3.312 -15.174 -20.633 76 HB2 PRO 13 HB2 PRO 13 1.303 -16.415 -19.295 77 HB3 PRO 13 HB3 PRO 13 3.010 -16.780 -19.018 78 HG2 PRO 13 HG2 PRO 13 1.167 -15.029 -17.437 79 HG3 PRO 13 HG3 PRO 13 2.364 -16.203 -16.860 80 HD2 PRO 13 HD2 PRO 13 2.841 -13.538 -16.905 81 HD3 PRO 13 HD3 PRO 13 4.123 -14.742 -17.151 82 H CYS 14 H CYS 14 1.425 -12.736 -19.127 83 HA CYS 14 HA CYS 14 -0.881 -13.128 -20.850 84 HB2 CYS 14 HB2 CYS 14 -0.272 -10.966 -18.822 85 HB3 CYS 14 HB3 CYS 14 -1.801 -11.159 -19.673 86 H LEU 15 H LEU 15 2.002 -11.211 -20.712 87 HA LEU 15 HA LEU 15 1.437 -8.987 -22.188 88 HB2 LEU 15 HB2 LEU 15 3.671 -9.849 -21.221 89 HB3 LEU 15 HB3 LEU 15 3.881 -10.612 -22.796 90 HG LEU 15 HG LEU 15 3.845 -8.444 -23.884 91 HD11 LEU 15 HD11 LEU 15 4.094 -6.574 -21.869 92 HD12 LEU 15 HD12 LEU 15 2.769 -7.602 -21.324 93 HD13 LEU 15 HD13 LEU 15 2.685 -6.818 -22.902 94 HD21 LEU 15 HD21 LEU 15 5.903 -9.459 -22.532 95 HD22 LEU 15 HD22 LEU 15 5.722 -7.945 -21.645 96 HD23 LEU 15 HD23 LEU 15 5.998 -7.920 -23.388 97 H THR 16 H THR 16 2.161 -12.223 -23.459 98 HA THR 16 HA THR 16 2.153 -11.692 -26.165 99 HB THR 16 HB THR 16 1.062 -14.142 -24.766 100 HG1 THR 16 HG1 THR 16 3.601 -13.699 -25.983 101 HG21 THR 16 HG21 THR 16 1.006 -13.412 -27.530 102 HG22 THR 16 HG22 THR 16 0.453 -14.903 -26.768 103 HG23 THR 16 HG23 THR 16 2.124 -14.757 -27.313 104 H TYR 17 H TYR 17 -0.666 -12.924 -24.351 105 HA TYR 17 HA TYR 17 -2.525 -12.492 -26.398 106 HB2 TYR 17 HB2 TYR 17 -3.112 -13.965 -24.616 107 HB3 TYR 17 HB3 TYR 17 -2.855 -12.713 -23.406 108 HD1 TYR 17 HD1 TYR 17 -4.646 -11.409 -22.673 109 HD2 TYR 17 HD2 TYR 17 -5.020 -13.594 -26.304 110 HE1 TYR 17 HE1 TYR 17 -7.029 -10.810 -22.781 111 HE2 TYR 17 HE2 TYR 17 -7.403 -13.000 -26.424 112 HH TYR 17 HH TYR 17 -8.844 -10.961 -25.427 113 H LEU 18 H LEU 18 -1.308 -10.379 -23.885 114 HA LEU 18 HA LEU 18 -3.266 -8.337 -24.214 115 HB2 LEU 18 HB2 LEU 18 -0.524 -8.373 -22.979 116 HB3 LEU 18 HB3 LEU 18 -1.530 -6.926 -23.020 117 HG LEU 18 HG LEU 18 -2.153 -9.513 -21.598 118 HD11 LEU 18 HD11 LEU 18 -1.967 -8.153 -19.580 119 HD12 LEU 18 HD12 LEU 18 -1.522 -6.754 -20.558 120 HD13 LEU 18 HD13 LEU 18 -0.457 -8.158 -20.491 121 HD21 LEU 18 HD21 LEU 18 -3.887 -7.434 -22.553 122 HD22 LEU 18 HD22 LEU 18 -3.892 -7.467 -20.790 123 HD23 LEU 18 HD23 LEU 18 -4.291 -8.925 -21.701 124 H THR 19 H THR 19 -0.399 -9.217 -25.909 125 HA THR 19 HA THR 19 -0.237 -6.625 -27.253 126 HB THR 19 HB THR 19 1.805 -7.515 -28.315 127 HG1 THR 19 HG1 THR 19 1.433 -9.797 -26.651 128 HG21 THR 19 HG21 THR 19 1.425 -6.909 -25.575 129 HG22 THR 19 HG22 THR 19 2.886 -6.710 -26.543 130 HG23 THR 19 HG23 THR 19 2.606 -8.215 -25.667 131 H GLY 20 H GLY 20 -2.487 -8.492 -27.666 132 HA2 GLY 20 HA2 GLY 20 -3.817 -8.794 -29.563 133 HA3 GLY 20 HA3 GLY 20 -2.415 -8.465 -30.570 134 H GLY 21 H GLY 21 -1.342 -10.629 -28.380 135 HA2 GLY 21 HA2 GLY 21 -1.308 -12.765 -30.278 136 HA3 GLY 21 HA3 GLY 21 -0.690 -12.825 -28.634 137 HA PRO 22 HA PRO 22 -4.627 -15.377 -29.100 138 HB2 PRO 22 HB2 PRO 22 -3.506 -17.789 -28.560 139 HB3 PRO 22 HB3 PRO 22 -3.620 -17.128 -30.195 140 HG2 PRO 22 HG2 PRO 22 -1.291 -17.137 -28.315 141 HG3 PRO 22 HG3 PRO 22 -1.324 -17.469 -30.056 142 HD2 PRO 22 HD2 PRO 22 -0.539 -15.084 -29.043 143 HD3 PRO 22 HD3 PRO 22 -1.360 -15.232 -30.610 144 H GLY 23 H GLY 23 -5.824 -16.192 -27.375 145 HA2 GLY 23 HA2 GLY 23 -5.317 -17.225 -25.017 146 HA3 GLY 23 HA3 GLY 23 -4.688 -15.608 -24.739 147 HA PRO 24 HA PRO 24 -5.086 -14.968 -22.915 148 HB2 PRO 24 HB2 PRO 24 -6.300 -15.346 -20.516 149 HB3 PRO 24 HB3 PRO 24 -6.324 -13.800 -21.372 150 HG2 PRO 24 HG2 PRO 24 -8.424 -15.930 -21.248 151 HG3 PRO 24 HG3 PRO 24 -8.608 -14.170 -21.138 152 HD2 PRO 24 HD2 PRO 24 -9.113 -15.547 -23.413 153 HD3 PRO 24 HD3 PRO 24 -8.484 -13.887 -23.422 154 H SER 25 H SER 25 -3.685 -16.572 -22.606 155 HA SER 25 HA SER 25 -4.407 -19.296 -22.753 156 HB2 SER 25 HB2 SER 25 -1.927 -19.459 -21.738 157 HB3 SER 25 HB3 SER 25 -2.234 -19.055 -23.427 158 HG SER 25 HG SER 25 -0.773 -17.630 -22.154 159 HA PRO 26 HA PRO 26 -5.246 -20.522 -18.627 160 HB2 PRO 26 HB2 PRO 26 -3.889 -22.861 -18.385 161 HB3 PRO 26 HB3 PRO 26 -5.345 -22.693 -19.373 162 HG2 PRO 26 HG2 PRO 26 -2.471 -22.673 -20.213 163 HG3 PRO 26 HG3 PRO 26 -3.855 -23.479 -20.976 164 HD2 PRO 26 HD2 PRO 26 -2.846 -21.139 -21.891 165 HD3 PRO 26 HD3 PRO 26 -4.569 -21.548 -22.012 166 H GLN 27 H GLN 27 -1.849 -20.442 -19.538 167 HA GLN 27 HA GLN 27 -0.875 -20.531 -16.842 168 HB2 GLN 27 HB2 GLN 27 0.551 -19.664 -19.362 169 HB3 GLN 27 HB3 GLN 27 1.308 -20.067 -17.826 170 HG2 GLN 27 HG2 GLN 27 0.595 -22.362 -18.031 171 HG3 GLN 27 HG3 GLN 27 -0.286 -21.985 -19.511 172 HE21 GLN 27 HE21 GLN 27 0.953 -21.305 -21.361 173 HE22 GLN 27 HE22 GLN 27 2.573 -21.872 -21.562 174 H CYS 28 H CYS 28 -1.837 -18.051 -19.085 175 HA CYS 28 HA CYS 28 -0.579 -15.876 -17.735 176 HB2 CYS 28 HB2 CYS 28 -1.059 -15.282 -19.901 177 HB3 CYS 28 HB3 CYS 28 -2.576 -16.175 -19.923 178 H CYS 29 H CYS 29 -3.934 -17.061 -17.843 179 HA CYS 29 HA CYS 29 -5.130 -15.237 -16.165 180 HB2 CYS 29 HB2 CYS 29 -5.641 -18.152 -16.674 181 HB3 CYS 29 HB3 CYS 29 -6.602 -17.276 -15.487 182 H GLY 30 H GLY 30 -3.109 -17.987 -15.333 183 HA2 GLY 30 HA2 GLY 30 -3.631 -18.213 -12.615 184 HA3 GLY 30 HA3 GLY 30 -2.080 -18.564 -13.364 185 H GLY 31 H GLY 31 -1.394 -16.005 -14.263 186 HA2 GLY 31 HA2 GLY 31 -0.410 -14.881 -11.815 187 HA3 GLY 31 HA3 GLY 31 -0.124 -14.263 -13.436 188 H VAL 32 H VAL 32 -2.782 -13.865 -14.242 189 HA VAL 32 HA VAL 32 -3.296 -11.294 -13.396 190 HB VAL 32 HB VAL 32 -5.329 -13.298 -14.387 191 HG11 VAL 32 HG11 VAL 32 -5.421 -10.283 -14.397 192 HG12 VAL 32 HG12 VAL 32 -6.643 -11.368 -15.063 193 HG13 VAL 32 HG13 VAL 32 -6.347 -11.332 -13.324 194 HG21 VAL 32 HG21 VAL 32 -3.226 -12.792 -15.786 195 HG22 VAL 32 HG22 VAL 32 -4.802 -12.667 -16.568 196 HG23 VAL 32 HG23 VAL 32 -3.959 -11.209 -16.045 197 H LYS 33 H LYS 33 -4.732 -14.308 -12.185 198 HA LYS 33 HA LYS 33 -6.462 -13.101 -10.314 199 HB2 LYS 33 HB2 LYS 33 -5.228 -15.862 -10.297 200 HB3 LYS 33 HB3 LYS 33 -6.570 -15.348 -9.282 201 HG2 LYS 33 HG2 LYS 33 -8.070 -15.498 -10.954 202 HG3 LYS 33 HG3 LYS 33 -6.926 -14.944 -12.178 203 HD2 LYS 33 HD2 LYS 33 -5.861 -17.130 -12.201 204 HD3 LYS 33 HD3 LYS 33 -6.941 -17.689 -10.922 205 HE2 LYS 33 HE2 LYS 33 -8.478 -16.594 -13.078 206 HE3 LYS 33 HE3 LYS 33 -7.347 -17.792 -13.707 207 HZ1 LYS 33 HZ1 LYS 33 -9.222 -19.014 -13.139 208 HZ2 LYS 33 HZ2 LYS 33 -9.489 -18.155 -11.707 209 HZ3 LYS 33 HZ3 LYS 33 -8.201 -19.246 -11.810 210 H LYS 34 H LYS 34 -3.154 -14.325 -10.050 211 HA LYS 34 HA LYS 34 -2.878 -13.976 -7.266 212 HB2 LYS 34 HB2 LYS 34 -1.329 -15.362 -8.515 213 HB3 LYS 34 HB3 LYS 34 -0.801 -13.978 -9.463 214 HG2 LYS 34 HG2 LYS 34 0.495 -13.145 -7.786 215 HG3 LYS 34 HG3 LYS 34 -0.517 -13.829 -6.512 216 HD2 LYS 34 HD2 LYS 34 1.015 -15.654 -8.314 217 HD3 LYS 34 HD3 LYS 34 1.855 -14.825 -7.001 218 HE2 LYS 34 HE2 LYS 34 -0.600 -16.550 -6.682 219 HE3 LYS 34 HE3 LYS 34 1.054 -17.071 -6.361 220 HZ1 LYS 34 HZ1 LYS 34 0.960 -14.901 -4.856 221 HZ2 LYS 34 HZ2 LYS 34 0.500 -16.425 -4.286 222 HZ3 LYS 34 HZ3 LYS 34 -0.677 -15.325 -4.802 223 H LEU 35 H LEU 35 -2.286 -11.826 -10.001 224 HA LEU 35 HA LEU 35 -1.063 -9.746 -8.523 225 HB2 LEU 35 HB2 LEU 35 -0.728 -9.725 -10.845 226 HB3 LEU 35 HB3 LEU 35 -2.453 -9.866 -11.179 227 HG LEU 35 HG LEU 35 -2.807 -7.571 -10.491 228 HD11 LEU 35 HD11 LEU 35 -1.427 -6.614 -9.045 229 HD12 LEU 35 HD12 LEU 35 -0.206 -6.529 -10.314 230 HD13 LEU 35 HD13 LEU 35 -0.258 -7.922 -9.234 231 HD21 LEU 35 HD21 LEU 35 -2.394 -7.567 -12.745 232 HD22 LEU 35 HD22 LEU 35 -0.755 -8.192 -12.559 233 HD23 LEU 35 HD23 LEU 35 -1.104 -6.504 -12.183 234 H LEU 36 H LEU 36 -4.399 -10.137 -9.712 235 HA LEU 36 HA LEU 36 -5.397 -7.796 -8.491 236 HB2 LEU 36 HB2 LEU 36 -6.762 -10.312 -9.419 237 HB3 LEU 36 HB3 LEU 36 -7.631 -8.901 -8.819 238 HG LEU 36 HG LEU 36 -5.801 -8.840 -11.213 239 HD11 LEU 36 HD11 LEU 36 -7.582 -9.220 -12.627 240 HD12 LEU 36 HD12 LEU 36 -8.782 -8.818 -11.399 241 HD13 LEU 36 HD13 LEU 36 -7.914 -10.351 -11.315 242 HD21 LEU 36 HD21 LEU 36 -6.269 -6.709 -9.980 243 HD22 LEU 36 HD22 LEU 36 -7.973 -6.928 -10.376 244 HD23 LEU 36 HD23 LEU 36 -6.787 -6.720 -11.666 245 H ALA 37 H ALA 37 -5.083 -11.118 -7.392 246 HA ALA 37 HA ALA 37 -6.685 -10.913 -5.081 247 HB1 ALA 37 HB1 ALA 37 -6.033 -13.063 -5.998 248 HB2 ALA 37 HB2 ALA 37 -4.340 -12.728 -5.632 249 HB3 ALA 37 HB3 ALA 37 -5.503 -12.926 -4.321 250 H ALA 38 H ALA 38 -3.482 -9.828 -5.801 251 HA ALA 38 HA ALA 38 -2.696 -9.530 -3.035 252 HB1 ALA 38 HB1 ALA 38 -0.684 -8.444 -3.980 253 HB2 ALA 38 HB2 ALA 38 -0.985 -10.048 -4.650 254 HB3 ALA 38 HB3 ALA 38 -1.385 -8.611 -5.590 255 H ALA 39 H ALA 39 -3.881 -7.485 -5.648 256 HA ALA 39 HA ALA 39 -3.544 -5.033 -4.204 257 HB1 ALA 39 HB1 ALA 39 -3.563 -5.201 -6.690 258 HB2 ALA 39 HB2 ALA 39 -5.293 -5.532 -6.606 259 HB3 ALA 39 HB3 ALA 39 -4.663 -3.985 -6.041 260 H ASN 40 H ASN 40 -4.647 -6.005 -2.244 261 HA ASN 40 HA ASN 40 -7.568 -5.908 -2.420 262 HB2 ASN 40 HB2 ASN 40 -5.662 -7.357 -0.784 263 HB3 ASN 40 HB3 ASN 40 -6.851 -6.524 0.213 264 HD21 ASN 40 HD21 ASN 40 -8.944 -7.202 0.217 265 HD22 ASN 40 HD22 ASN 40 -9.485 -8.632 -0.588 266 H THR 41 H THR 41 -4.964 -3.943 -1.619 267 HA THR 41 HA THR 41 -6.581 -2.292 0.199 268 HB THR 41 HB THR 41 -4.118 -1.116 0.220 269 HG1 THR 41 HG1 THR 41 -2.726 -3.078 0.529 270 HG21 THR 41 HG21 THR 41 -3.876 -2.941 2.242 271 HG22 THR 41 HG22 THR 41 -5.614 -2.960 1.939 272 HG23 THR 41 HG23 THR 41 -4.804 -1.445 2.336 273 H THR 42 H THR 42 -6.282 0.096 -0.049 274 HA THR 42 HA THR 42 -7.015 0.899 -2.656 275 HB THR 42 HB THR 42 -6.389 2.368 -0.124 276 HG1 THR 42 HG1 THR 42 -8.497 2.327 -0.064 277 HG21 THR 42 HG21 THR 42 -7.154 4.434 -1.569 278 HG22 THR 42 HG22 THR 42 -6.428 3.505 -2.881 279 HG23 THR 42 HG23 THR 42 -5.456 3.968 -1.485 280 HA PRO 43 HA PRO 43 -2.610 2.913 -2.825 281 HB2 PRO 43 HB2 PRO 43 -0.797 2.028 -1.009 282 HB3 PRO 43 HB3 PRO 43 -1.858 3.410 -0.711 283 HG2 PRO 43 HG2 PRO 43 -2.143 0.572 0.199 284 HG3 PRO 43 HG3 PRO 43 -2.416 2.071 1.106 285 HD2 PRO 43 HD2 PRO 43 -4.441 0.624 0.040 286 HD3 PRO 43 HD3 PRO 43 -4.508 2.392 0.192 287 H ASP 44 H ASP 44 -3.377 -0.363 -2.380 288 HA ASP 44 HA ASP 44 -0.935 -1.378 -3.582 289 HB2 ASP 44 HB2 ASP 44 -3.337 -2.571 -2.299 290 HB3 ASP 44 HB3 ASP 44 -2.503 -3.547 -3.505 291 H ARG 45 H ARG 45 -4.302 -0.831 -4.439 292 HA ARG 45 HA ARG 45 -4.107 -2.108 -6.996 293 HB2 ARG 45 HB2 ARG 45 -6.185 -0.100 -6.127 294 HB3 ARG 45 HB3 ARG 45 -6.335 -1.328 -7.377 295 HG2 ARG 45 HG2 ARG 45 -5.687 -2.664 -4.978 296 HG3 ARG 45 HG3 ARG 45 -6.963 -1.502 -4.607 297 HD2 ARG 45 HD2 ARG 45 -7.979 -2.483 -6.855 298 HD3 ARG 45 HD3 ARG 45 -7.005 -3.877 -6.390 299 HE ARG 45 HE ARG 45 -8.375 -3.239 -4.126 300 HH11 ARG 45 HH11 ARG 45 -9.280 -3.944 -7.413 301 HH12 ARG 45 HH12 ARG 45 -10.813 -4.626 -6.982 302 HH21 ARG 45 HH21 ARG 45 -10.391 -4.135 -3.546 303 HH22 ARG 45 HH22 ARG 45 -11.444 -4.734 -4.783 304 H GLN 46 H GLN 46 -4.052 1.243 -5.847 305 HA GLN 46 HA GLN 46 -4.014 2.557 -8.289 306 HB2 GLN 46 HB2 GLN 46 -2.603 3.305 -5.723 307 HB3 GLN 46 HB3 GLN 46 -2.849 4.390 -7.084 308 HG2 GLN 46 HG2 GLN 46 -5.295 4.095 -6.809 309 HG3 GLN 46 HG3 GLN 46 -4.974 3.143 -5.360 310 HE21 GLN 46 HE21 GLN 46 -2.771 4.697 -4.448 311 HE22 GLN 46 HE22 GLN 46 -3.399 6.204 -3.883 312 H ALA 47 H ALA 47 -1.231 1.474 -6.345 313 HA ALA 47 HA ALA 47 0.732 2.247 -8.220 314 HB1 ALA 47 HB1 ALA 47 2.121 0.486 -6.917 315 HB2 ALA 47 HB2 ALA 47 1.565 1.939 -6.084 316 HB3 ALA 47 HB3 ALA 47 0.711 0.413 -5.859 317 H ALA 48 H ALA 48 -0.784 -0.902 -7.559 318 HA ALA 48 HA ALA 48 0.593 -2.494 -9.328 319 HB1 ALA 48 HB1 ALA 48 -2.369 -2.650 -8.783 320 HB2 ALA 48 HB2 ALA 48 -1.328 -3.957 -9.349 321 HB3 ALA 48 HB3 ALA 48 -1.109 -3.295 -7.729 322 H CYS 49 H CYS 49 -2.463 -0.788 -10.037 323 HA CYS 49 HA CYS 49 -2.521 -1.400 -12.771 324 HB2 CYS 49 HB2 CYS 49 -4.482 -0.576 -11.550 325 HB3 CYS 49 HB3 CYS 49 -3.701 0.987 -11.333 326 H ASN 50 H ASN 50 -1.576 1.671 -11.215 327 HA ASN 50 HA ASN 50 -0.723 3.062 -13.413 328 HB2 ASN 50 HB2 ASN 50 0.477 3.030 -10.636 329 HB3 ASN 50 HB3 ASN 50 0.864 4.233 -11.863 330 HD21 ASN 50 HD21 ASN 50 -0.266 4.737 -9.310 331 HD22 ASN 50 HD22 ASN 50 -1.827 5.436 -9.560 332 H CYS 51 H CYS 51 1.053 0.612 -11.593 333 HA CYS 51 HA CYS 51 3.546 0.907 -12.827 334 HB2 CYS 51 HB2 CYS 51 2.167 -1.257 -11.324 335 HB3 CYS 51 HB3 CYS 51 3.580 -1.711 -12.271 336 H LEU 52 H LEU 52 0.754 -1.083 -13.716 337 HA LEU 52 HA LEU 52 2.053 -2.227 -16.002 338 HB2 LEU 52 HB2 LEU 52 -0.872 -2.137 -15.278 339 HB3 LEU 52 HB3 LEU 52 -0.149 -3.149 -16.526 340 HG LEU 52 HG LEU 52 0.255 -3.377 -13.546 341 HD11 LEU 52 HD11 LEU 52 -1.427 -4.746 -15.545 342 HD12 LEU 52 HD12 LEU 52 -1.681 -4.503 -13.817 343 HD13 LEU 52 HD13 LEU 52 -0.603 -5.781 -14.378 344 HD21 LEU 52 HD21 LEU 52 2.228 -4.289 -14.017 345 HD22 LEU 52 HD22 LEU 52 1.916 -4.240 -15.753 346 HD23 LEU 52 HD23 LEU 52 1.344 -5.604 -14.791 347 H LYS 53 H LYS 53 0.063 0.563 -15.377 348 HA LYS 53 HA LYS 53 -0.744 1.109 -18.025 349 HB2 LYS 53 HB2 LYS 53 -0.271 3.092 -15.794 350 HB3 LYS 53 HB3 LYS 53 -1.262 3.344 -17.225 351 HG2 LYS 53 HG2 LYS 53 -2.239 1.018 -15.991 352 HG3 LYS 53 HG3 LYS 53 -1.977 2.199 -14.704 353 HD2 LYS 53 HD2 LYS 53 -4.070 2.835 -15.324 354 HD3 LYS 53 HD3 LYS 53 -3.152 3.797 -16.485 355 HE2 LYS 53 HE2 LYS 53 -4.486 1.136 -16.957 356 HE3 LYS 53 HE3 LYS 53 -4.932 2.693 -17.651 357 HZ1 LYS 53 HZ1 LYS 53 -2.660 0.951 -18.311 358 HZ2 LYS 53 HZ2 LYS 53 -2.518 2.618 -18.560 359 HZ3 LYS 53 HZ3 LYS 53 -3.737 1.747 -19.345 360 H SER 54 H SER 54 2.096 2.065 -16.152 361 HA SER 54 HA SER 54 3.154 3.800 -18.149 362 HB2 SER 54 HB2 SER 54 3.719 3.843 -15.676 363 HB3 SER 54 HB3 SER 54 4.720 2.420 -15.963 364 HG SER 54 HG SER 54 5.009 4.903 -17.308 365 H ALA 55 H ALA 55 3.840 0.451 -17.195 366 HA ALA 55 HA ALA 55 5.919 -0.005 -19.036 367 HB1 ALA 55 HB1 ALA 55 5.330 -2.436 -18.686 368 HB2 ALA 55 HB2 ALA 55 5.698 -1.513 -17.228 369 HB3 ALA 55 HB3 ALA 55 4.023 -1.878 -17.641 370 H ALA 56 H ALA 56 2.522 0.229 -19.449 371 HA ALA 56 HA ALA 56 2.403 -1.317 -21.880 372 HB1 ALA 56 HB1 ALA 56 0.148 0.361 -21.706 373 HB2 ALA 56 HB2 ALA 56 0.256 -1.359 -21.328 374 HB3 ALA 56 HB3 ALA 56 0.525 -0.159 -20.063 375 H GLY 57 H GLY 57 2.887 2.020 -20.985 376 HA2 GLY 57 HA2 GLY 57 2.276 3.224 -23.462 377 HA3 GLY 57 HA3 GLY 57 3.327 3.900 -22.226 378 H SER 58 H SER 58 5.019 1.396 -22.414 379 HA SER 58 HA SER 58 6.691 2.370 -24.590 380 HB2 SER 58 HB2 SER 58 7.695 1.943 -22.365 381 HB3 SER 58 HB3 SER 58 7.265 0.239 -22.515 382 HG SER 58 HG SER 58 8.883 -0.055 -23.840 383 H ILE 59 H ILE 59 4.181 0.398 -24.534 384 HA ILE 59 HA ILE 59 5.373 -1.658 -26.265 385 HB ILE 59 HB ILE 59 2.580 -1.737 -25.151 386 HG12 ILE 59 HG12 ILE 59 5.112 -2.801 -23.882 387 HG13 ILE 59 HG13 ILE 59 4.098 -1.508 -23.252 388 HG21 ILE 59 HG21 ILE 59 2.445 -3.653 -26.261 389 HG22 ILE 59 HG22 ILE 59 4.049 -3.357 -26.929 390 HG23 ILE 59 HG23 ILE 59 3.873 -4.267 -25.429 391 HD11 ILE 59 HD11 ILE 59 2.295 -3.510 -23.472 392 HD12 ILE 59 HD12 ILE 59 3.766 -4.412 -23.102 393 HD13 ILE 59 HD13 ILE 59 3.212 -3.141 -22.011 394 H THR 60 H THR 60 4.991 -1.631 -28.380 395 HA THR 60 HA THR 60 3.097 0.329 -29.436 396 HB THR 60 HB THR 60 5.507 0.155 -30.264 397 HG1 THR 60 HG1 THR 60 3.380 -0.050 -32.154 398 HG21 THR 60 HG21 THR 60 5.375 -2.379 -30.439 399 HG22 THR 60 HG22 THR 60 6.088 -1.534 -31.814 400 HG23 THR 60 HG23 THR 60 4.430 -2.127 -31.905 401 H LYS 61 H LYS 61 3.618 -3.107 -29.220 402 HA LYS 61 HA LYS 61 1.438 -3.666 -31.081 403 HB2 LYS 61 HB2 LYS 61 3.544 -5.327 -29.744 404 HB3 LYS 61 HB3 LYS 61 2.097 -6.102 -30.376 405 HG2 LYS 61 HG2 LYS 61 2.672 -4.829 -32.559 406 HG3 LYS 61 HG3 LYS 61 4.280 -4.691 -31.845 407 HD2 LYS 61 HD2 LYS 61 4.321 -6.645 -33.175 408 HD3 LYS 61 HD3 LYS 61 4.196 -7.199 -31.503 409 HE2 LYS 61 HE2 LYS 61 2.004 -7.871 -31.752 410 HE3 LYS 61 HE3 LYS 61 1.709 -6.772 -33.098 411 HZ1 LYS 61 HZ1 LYS 61 3.472 -8.295 -34.253 412 HZ2 LYS 61 HZ2 LYS 61 1.845 -8.753 -34.189 413 HZ3 LYS 61 HZ3 LYS 61 2.956 -9.424 -33.103 414 H LEU 62 H LEU 62 1.213 -2.469 -28.278 415 HA LEU 62 HA LEU 62 -0.054 -4.364 -26.611 416 HB2 LEU 62 HB2 LEU 62 0.813 -2.317 -25.701 417 HB3 LEU 62 HB3 LEU 62 -0.254 -1.360 -26.726 418 HG LEU 62 HG LEU 62 -2.191 -2.326 -25.466 419 HD11 LEU 62 HD11 LEU 62 -1.145 -3.058 -23.063 420 HD12 LEU 62 HD12 LEU 62 0.004 -3.783 -24.187 421 HD13 LEU 62 HD13 LEU 62 -1.710 -4.178 -24.302 422 HD21 LEU 62 HD21 LEU 62 -2.112 -0.660 -23.909 423 HD22 LEU 62 HD22 LEU 62 -0.803 -0.134 -24.967 424 HD23 LEU 62 HD23 LEU 62 -0.436 -0.993 -23.471 425 H ASN 63 H ASN 63 -2.281 -4.610 -26.114 426 HA ASN 63 HA ASN 63 -4.153 -3.632 -28.155 427 HB2 ASN 63 HB2 ASN 63 -3.867 -6.485 -27.197 428 HB3 ASN 63 HB3 ASN 63 -5.259 -5.895 -28.100 429 HD21 ASN 63 HD21 ASN 63 -5.172 -6.438 -30.143 430 HD22 ASN 63 HD22 ASN 63 -3.750 -6.524 -31.121 431 H THR 64 H THR 64 -5.022 -2.148 -26.716 432 HA THR 64 HA THR 64 -5.710 -2.512 -24.073 433 HB THR 64 HB THR 64 -7.280 -0.692 -24.304 434 HG1 THR 64 HG1 THR 64 -7.200 -1.425 -27.032 435 HG21 THR 64 HG21 THR 64 -4.800 -0.260 -24.524 436 HG22 THR 64 HG22 THR 64 -5.851 0.987 -25.196 437 HG23 THR 64 HG23 THR 64 -5.054 -0.166 -26.266 438 H ASN 65 H ASN 65 -7.323 -3.680 -26.931 439 HA ASN 65 HA ASN 65 -9.840 -4.254 -25.798 440 HB2 ASN 65 HB2 ASN 65 -8.353 -5.096 -28.233 441 HB3 ASN 65 HB3 ASN 65 -9.704 -6.106 -27.728 442 HD21 ASN 65 HD21 ASN 65 -11.787 -5.090 -27.494 443 HD22 ASN 65 HD22 ASN 65 -12.182 -3.722 -28.473 444 H ASN 66 H ASN 66 -6.877 -6.168 -26.097 445 HA ASN 66 HA ASN 66 -8.022 -8.507 -24.903 446 HB2 ASN 66 HB2 ASN 66 -5.108 -7.794 -25.303 447 HB3 ASN 66 HB3 ASN 66 -5.746 -9.395 -24.941 448 HD21 ASN 66 HD21 ASN 66 -5.676 -10.644 -26.650 449 HD22 ASN 66 HD22 ASN 66 -6.020 -10.174 -28.276 450 H ALA 67 H ALA 67 -6.598 -5.610 -23.730 451 HA ALA 67 HA ALA 67 -5.729 -6.611 -21.198 452 HB1 ALA 67 HB1 ALA 67 -5.328 -4.288 -22.594 453 HB2 ALA 67 HB2 ALA 67 -6.396 -3.771 -21.289 454 HB3 ALA 67 HB3 ALA 67 -4.868 -4.567 -20.914 455 H ALA 68 H ALA 68 -8.681 -5.121 -22.414 456 HA ALA 68 HA ALA 68 -9.904 -4.880 -19.833 457 HB1 ALA 68 HB1 ALA 68 -11.790 -4.928 -22.017 458 HB2 ALA 68 HB2 ALA 68 -11.371 -3.612 -20.919 459 HB3 ALA 68 HB3 ALA 68 -10.418 -3.881 -22.379 460 H ALA 69 H ALA 69 -9.994 -7.223 -22.462 461 HA ALA 69 HA ALA 69 -12.019 -8.824 -21.139 462 HB1 ALA 69 HB1 ALA 69 -10.991 -8.594 -23.795 463 HB2 ALA 69 HB2 ALA 69 -10.872 -10.273 -23.266 464 HB3 ALA 69 HB3 ALA 69 -12.429 -9.445 -23.228 465 H LEU 70 H LEU 70 -8.672 -8.488 -20.985 466 HA LEU 70 HA LEU 70 -7.726 -11.081 -20.686 467 HB2 LEU 70 HB2 LEU 70 -6.019 -9.578 -20.708 468 HB3 LEU 70 HB3 LEU 70 -6.893 -8.407 -19.723 469 HG LEU 70 HG LEU 70 -6.395 -9.728 -17.719 470 HD11 LEU 70 HD11 LEU 70 -4.344 -11.416 -18.496 471 HD12 LEU 70 HD12 LEU 70 -5.603 -11.687 -19.699 472 HD13 LEU 70 HD13 LEU 70 -5.963 -11.893 -17.985 473 HD21 LEU 70 HD21 LEU 70 -4.839 -7.947 -18.713 474 HD22 LEU 70 HD22 LEU 70 -3.815 -9.302 -19.190 475 HD23 LEU 70 HD23 LEU 70 -4.181 -9.029 -17.485 476 HA PRO 71 HA PRO 71 -8.684 -10.809 -15.959 477 HB2 PRO 71 HB2 PRO 71 -10.225 -8.739 -15.116 478 HB3 PRO 71 HB3 PRO 71 -8.462 -8.650 -15.206 479 HG2 PRO 71 HG2 PRO 71 -10.511 -7.627 -17.134 480 HG3 PRO 71 HG3 PRO 71 -9.029 -6.844 -16.557 481 HD2 PRO 71 HD2 PRO 71 -9.185 -8.070 -18.966 482 HD3 PRO 71 HD3 PRO 71 -7.688 -8.024 -18.014 483 H GLY 72 H GLY 72 -11.102 -9.781 -18.280 484 HA2 GLY 72 HA2 GLY 72 -13.362 -10.769 -16.844 485 HA3 GLY 72 HA3 GLY 72 -13.320 -10.340 -18.547 486 H LYS 73 H LYS 73 -11.623 -12.032 -19.690 487 HA LYS 73 HA LYS 73 -13.067 -14.426 -19.885 488 HB2 LYS 73 HB2 LYS 73 -10.445 -13.446 -20.902 489 HB3 LYS 73 HB3 LYS 73 -10.755 -15.175 -20.976 490 HG2 LYS 73 HG2 LYS 73 -11.646 -14.678 -22.970 491 HG3 LYS 73 HG3 LYS 73 -13.057 -14.218 -22.014 492 HD2 LYS 73 HD2 LYS 73 -12.349 -11.905 -22.013 493 HD3 LYS 73 HD3 LYS 73 -10.855 -12.331 -22.851 494 HE2 LYS 73 HE2 LYS 73 -12.643 -11.358 -24.310 495 HE3 LYS 73 HE3 LYS 73 -12.043 -12.933 -24.825 496 HZ1 LYS 73 HZ1 LYS 73 -13.972 -13.986 -23.985 497 HZ2 LYS 73 HZ2 LYS 73 -14.508 -12.664 -24.892 498 HZ3 LYS 73 HZ3 LYS 73 -14.500 -12.582 -23.202 499 H CYS 74 H CYS 74 -10.645 -13.438 -17.672 500 HA CYS 74 HA CYS 74 -9.968 -16.167 -16.903 501 HB2 CYS 74 HB2 CYS 74 -8.985 -13.475 -15.945 502 HB3 CYS 74 HB3 CYS 74 -8.464 -15.004 -15.244 503 H GLY 75 H GLY 75 -12.645 -14.692 -16.481 504 HA2 GLY 75 HA2 GLY 75 -14.294 -14.648 -14.885 505 HA3 GLY 75 HA3 GLY 75 -13.429 -15.986 -14.144 506 H VAL 76 H VAL 76 -13.296 -12.441 -14.433 507 HA VAL 76 HA VAL 76 -12.686 -12.317 -11.565 508 HB VAL 76 HB VAL 76 -11.267 -10.577 -13.579 509 HG11 VAL 76 HG11 VAL 76 -9.865 -10.829 -11.145 510 HG12 VAL 76 HG12 VAL 76 -10.680 -9.402 -11.788 511 HG13 VAL 76 HG13 VAL 76 -11.552 -10.519 -10.736 512 HG21 VAL 76 HG21 VAL 76 -10.591 -12.909 -13.892 513 HG22 VAL 76 HG22 VAL 76 -9.283 -11.947 -13.205 514 HG23 VAL 76 HG23 VAL 76 -10.215 -13.032 -12.174 515 H ASN 77 H ASN 77 -13.437 -10.481 -10.501 516 HA ASN 77 HA ASN 77 -15.572 -9.079 -11.897 517 HB2 ASN 77 HB2 ASN 77 -14.797 -9.382 -9.008 518 HB3 ASN 77 HB3 ASN 77 -15.942 -8.140 -9.506 519 HD21 ASN 77 HD21 ASN 77 -16.862 -9.905 -7.784 520 HD22 ASN 77 HD22 ASN 77 -17.921 -11.045 -8.535 521 H ILE 78 H ILE 78 -15.308 -7.131 -12.747 522 HA ILE 78 HA ILE 78 -13.417 -5.265 -11.511 523 HB ILE 78 HB ILE 78 -13.522 -5.613 -14.500 524 HG12 ILE 78 HG12 ILE 78 -11.073 -6.548 -13.843 525 HG13 ILE 78 HG13 ILE 78 -11.994 -7.111 -12.452 526 HG21 ILE 78 HG21 ILE 78 -11.081 -4.549 -13.484 527 HG22 ILE 78 HG22 ILE 78 -12.269 -3.784 -14.538 528 HG23 ILE 78 HG23 ILE 78 -12.430 -3.653 -12.786 529 HD11 ILE 78 HD11 ILE 78 -12.330 -8.896 -13.772 530 HD12 ILE 78 HD12 ILE 78 -13.625 -7.895 -14.429 531 HD13 ILE 78 HD13 ILE 78 -12.072 -7.984 -15.259 532 HA PRO 79 HA PRO 79 -17.427 -3.186 -12.300 533 HB2 PRO 79 HB2 PRO 79 -17.273 -1.606 -10.098 534 HB3 PRO 79 HB3 PRO 79 -17.890 -3.261 -10.051 535 HG2 PRO 79 HG2 PRO 79 -15.176 -2.230 -9.324 536 HG3 PRO 79 HG3 PRO 79 -16.184 -3.420 -8.480 537 HD2 PRO 79 HD2 PRO 79 -14.117 -4.133 -10.077 538 HD3 PRO 79 HD3 PRO 79 -15.575 -5.130 -9.900 539 H TYR 80 H TYR 80 -14.179 -2.257 -12.227 540 HA TYR 80 HA TYR 80 -14.714 0.555 -12.780 541 HB2 TYR 80 HB2 TYR 80 -12.169 -1.024 -12.419 542 HB3 TYR 80 HB3 TYR 80 -12.175 0.658 -12.937 543 HD1 TYR 80 HD1 TYR 80 -13.312 -1.576 -10.186 544 HD2 TYR 80 HD2 TYR 80 -12.252 2.375 -11.354 545 HE1 TYR 80 HE1 TYR 80 -13.410 -0.861 -7.834 546 HE2 TYR 80 HE2 TYR 80 -12.346 3.101 -9.006 547 HH TYR 80 HH TYR 80 -13.434 2.387 -6.901 548 H LYS 81 H LYS 81 -14.719 1.436 -14.753 549 HA LYS 81 HA LYS 81 -14.792 -0.180 -17.065 550 HB2 LYS 81 HB2 LYS 81 -14.787 2.763 -16.541 551 HB3 LYS 81 HB3 LYS 81 -14.535 2.193 -18.185 552 HG2 LYS 81 HG2 LYS 81 -16.657 1.236 -18.308 553 HG3 LYS 81 HG3 LYS 81 -16.866 1.254 -16.555 554 HD2 LYS 81 HD2 LYS 81 -16.499 3.840 -17.996 555 HD3 LYS 81 HD3 LYS 81 -18.066 3.031 -18.076 556 HE2 LYS 81 HE2 LYS 81 -17.760 2.865 -15.477 557 HE3 LYS 81 HE3 LYS 81 -16.648 4.209 -15.729 558 HZ1 LYS 81 HZ1 LYS 81 -19.551 4.103 -16.268 559 HZ2 LYS 81 HZ2 LYS 81 -18.564 5.265 -16.999 560 HZ3 LYS 81 HZ3 LYS 81 -18.694 5.206 -15.314 561 H ILE 82 H ILE 82 -13.102 -1.163 -17.948 562 HA ILE 82 HA ILE 82 -10.415 -0.525 -17.463 563 HB ILE 82 HB ILE 82 -11.758 -2.207 -19.556 564 HG12 ILE 82 HG12 ILE 82 -11.514 -2.930 -17.133 565 HG13 ILE 82 HG13 ILE 82 -10.861 -4.039 -18.334 566 HG21 ILE 82 HG21 ILE 82 -9.251 -2.966 -19.917 567 HG22 ILE 82 HG22 ILE 82 -9.965 -1.653 -20.852 568 HG23 ILE 82 HG23 ILE 82 -8.935 -1.290 -19.467 569 HD11 ILE 82 HD11 ILE 82 -8.812 -3.881 -17.496 570 HD12 ILE 82 HD12 ILE 82 -8.893 -2.121 -17.409 571 HD13 ILE 82 HD13 ILE 82 -9.562 -3.100 -16.104 572 H SER 83 H SER 83 -9.698 1.476 -17.943 573 HA SER 83 HA SER 83 -9.676 2.236 -20.771 574 HB2 SER 83 HB2 SER 83 -9.941 4.637 -19.264 575 HB3 SER 83 HB3 SER 83 -11.044 3.982 -20.474 576 HG SER 83 HG SER 83 -12.128 4.225 -18.517 577 H THR 84 H THR 84 -7.615 2.411 -21.317 578 HA THR 84 HA THR 84 -5.473 2.584 -19.522 579 HB THR 84 HB THR 84 -4.111 3.220 -21.555 580 HG1 THR 84 HG1 THR 84 -6.552 2.779 -22.950 581 HG21 THR 84 HG21 THR 84 -5.392 0.943 -22.675 582 HG22 THR 84 HG22 THR 84 -5.442 0.789 -20.919 583 HG23 THR 84 HG23 THR 84 -3.898 1.012 -21.741 584 H THR 85 H THR 85 -7.565 5.004 -20.714 585 HA THR 85 HA THR 85 -5.696 7.184 -20.268 586 HB THR 85 HB THR 85 -7.512 8.660 -20.960 587 HG1 THR 85 HG1 THR 85 -9.499 7.995 -20.729 588 HG21 THR 85 HG21 THR 85 -7.762 6.469 -22.944 589 HG22 THR 85 HG22 THR 85 -6.135 7.045 -22.580 590 HG23 THR 85 HG23 THR 85 -7.355 8.168 -23.179 591 H THR 86 H THR 86 -7.855 5.348 -18.439 592 HA THR 86 HA THR 86 -8.722 7.382 -16.619 593 HB THR 86 HB THR 86 -8.705 4.374 -16.310 594 HG1 THR 86 HG1 THR 86 -10.940 6.042 -16.827 595 HG21 THR 86 HG21 THR 86 -8.781 5.528 -14.142 596 HG22 THR 86 HG22 THR 86 -10.312 4.731 -14.505 597 HG23 THR 86 HG23 THR 86 -10.158 6.477 -14.700 598 H ASN 87 H ASN 87 -7.966 7.855 -14.574 599 HA ASN 87 HA ASN 87 -5.175 7.172 -14.102 600 HB2 ASN 87 HB2 ASN 87 -6.412 9.533 -13.884 601 HB3 ASN 87 HB3 ASN 87 -6.667 8.953 -12.241 602 HD21 ASN 87 HD21 ASN 87 -5.215 11.168 -12.552 603 HD22 ASN 87 HD22 ASN 87 -3.540 10.861 -12.258 604 H CYS 88 H CYS 88 -4.934 5.241 -13.143 605 HA CYS 88 HA CYS 88 -6.796 4.168 -11.268 606 HB2 CYS 88 HB2 CYS 88 -3.996 3.330 -12.036 607 HB3 CYS 88 HB3 CYS 88 -5.019 2.419 -10.931 608 H ASN 89 H ASN 89 -4.517 6.558 -10.971 609 HA ASN 89 HA ASN 89 -3.586 5.922 -8.316 610 HB2 ASN 89 HB2 ASN 89 -2.203 7.763 -8.502 611 HB3 ASN 89 HB3 ASN 89 -2.428 7.353 -10.200 612 HD21 ASN 89 HD21 ASN 89 -1.790 9.906 -8.879 613 HD22 ASN 89 HD22 ASN 89 -3.001 11.017 -9.414 614 H THR 90 H THR 90 -6.392 7.244 -9.621 615 HA THR 90 HA THR 90 -7.026 8.642 -7.107 616 HB THR 90 HB THR 90 -8.847 9.763 -8.421 617 HG1 THR 90 HG1 THR 90 -8.871 9.541 -10.623 618 HG21 THR 90 HG21 THR 90 -7.323 11.392 -8.436 619 HG22 THR 90 HG22 THR 90 -6.779 10.799 -10.006 620 HG23 THR 90 HG23 THR 90 -6.006 10.224 -8.529 621 H VAL 91 H VAL 91 -7.194 5.779 -7.457 622 HA VAL 91 HA VAL 91 -10.112 5.388 -7.308 623 HB VAL 91 HB VAL 91 -9.900 3.208 -8.105 624 HG11 VAL 91 HG11 VAL 91 -7.685 4.612 -9.584 625 HG12 VAL 91 HG12 VAL 91 -8.794 3.387 -10.203 626 HG13 VAL 91 HG13 VAL 91 -9.393 4.996 -9.797 627 HG21 VAL 91 HG21 VAL 91 -8.187 2.356 -6.693 628 HG22 VAL 91 HG22 VAL 91 -7.663 2.085 -8.355 629 HG23 VAL 91 HG23 VAL 91 -6.975 3.411 -7.419 630 H LYS 92 H LYS 92 -10.989 4.401 -5.545 631 HA LYS 92 HA LYS 92 -9.212 4.068 -3.242 632 HB2 LYS 92 HB2 LYS 92 -11.188 4.249 -1.872 633 HB3 LYS 92 HB3 LYS 92 -11.192 5.559 -3.045 634 HG2 LYS 92 HG2 LYS 92 -12.589 3.218 -4.027 635 HG3 LYS 92 HG3 LYS 92 -13.266 3.816 -2.511 636 HD2 LYS 92 HD2 LYS 92 -12.623 5.833 -4.584 637 HD3 LYS 92 HD3 LYS 92 -13.994 4.767 -4.902 638 HE2 LYS 92 HE2 LYS 92 -15.133 6.323 -3.734 639 HE3 LYS 92 HE3 LYS 92 -14.500 5.444 -2.343 640 HZ1 LYS 92 HZ1 LYS 92 -12.629 7.372 -3.262 641 HZ2 LYS 92 HZ2 LYS 92 -13.331 7.209 -1.731 642 HZ3 LYS 92 HZ3 LYS 92 -14.118 8.105 -2.931 643 H PHE 93 H PHE 93 -10.652 2.385 -1.652 644 HA PHE 93 HA PHE 93 -10.697 -0.132 -3.184 645 HB2 PHE 93 HB2 PHE 93 -8.761 -0.303 -1.867 646 HB3 PHE 93 HB3 PHE 93 -9.520 0.484 -0.488 647 HD1 PHE 93 HD1 PHE 93 -10.599 -2.398 -2.589 648 HD2 PHE 93 HD2 PHE 93 -9.489 -0.996 1.274 649 HE1 PHE 93 HE1 PHE 93 -11.141 -4.601 -1.637 650 HE2 PHE 93 HE2 PHE 93 -10.028 -3.197 2.232 651 HZ PHE 93 HZ PHE 93 -10.855 -5.003 0.776 652 HC11 PGM 101 H11 PPG 103 9.337 -3.272 -20.798 653 HC12 PGM 101 H12 PPG 103 8.859 -1.838 -21.429 654 HO1 PGM 101 H1 PPG 103 11.297 -3.152 -21.862 655 HC2 PGM 101 H2A PPG 103 11.169 -1.852 -19.646 656 HO2 PGM 101 H2 PPG 103 10.327 -0.049 -21.080 657 HC31 PGM 101 H31 PPG 103 8.302 -1.770 -19.008 658 HC32 PGM 101 H32 PPG 103 9.425 -1.216 -17.948 659 HC71 PGM 101 H91 PPG 103 7.614 -5.962 -17.848 660 HC72 PGM 101 H92 PPG 103 8.220 -4.983 -18.995 661 HC8 PGM 101 H10A PPG 103 6.721 -6.539 -19.986 662 HO8 PGM 101 H10 PPG 103 5.054 -4.819 -20.703 663 HC91 PGM 101 H111 PPG 103 4.899 -5.351 -18.027 664 HC92 PGM 101 H112 PPG 103 5.145 -6.945 -18.250 665 HCB1 PGM 101 H151 PPG 103 1.478 -6.293 -20.459 666 HCB2 PGM 101 H152 PPG 103 1.743 -4.767 -20.967 667 HCC1 PGM 101 H161 PPG 103 0.422 -5.174 -18.432 668 HCC2 PGM 101 H162 PPG 103 -0.453 -5.243 -19.806 669 HCD1 PGM 101 H171 PPG 103 0.661 -3.089 -20.403 670 HCD2 PGM 101 H172 PPG 103 1.060 -3.005 -18.829 671 HCE1 PGM 101 H181 PPG 103 -0.906 -1.748 -19.262 672 HCE2 PGM 101 H182 PPG 103 -1.214 -2.962 -18.222 673 HCF1 PGM 101 H191 PPG 103 -2.519 -4.021 -19.631 674 HCF2 PGM 101 H192 PPG 103 -1.693 -3.500 -20.936 675 HCG1 PGM 101 H201 PPG 103 -3.964 -2.709 -20.857 676 HCG2 PGM 101 H202 PPG 103 -2.860 -1.522 -20.994 677 HCH1 PGM 101 H211 PPG 103 -4.277 -0.698 -19.398 678 HCH2 PGM 101 H212 PPG 103 -3.074 -1.335 -18.494 679 HCI1 PGM 101 H221 PPG 103 -4.283 -3.396 -18.312 680 HCI2 PGM 101 H222 PPG 103 -5.484 -2.778 -19.236 681 HCJ1 PGM 101 H231 PPG 103 -6.300 -1.539 -17.579 682 HCJ2 PGM 101 H232 PPG 103 -4.838 -1.358 -16.864 683 HCK1 PGM 101 H241 PPG 103 -5.226 -3.895 -16.438 684 HCK2 PGM 101 H242 PPG 103 -6.773 -3.373 -16.413 685 HCL1 PGM 101 H251 PPG 103 -6.349 -1.924 -14.628 686 HCL2 PGM 101 H252 PPG 103 -4.730 -2.086 -14.795 687 HCM1 PGM 101 H261 PPG 103 -5.264 -4.596 -14.474 688 HCM2 PGM 101 H262 PPG 103 -6.583 -4.022 -13.707 689 HCN1 PGM 101 H271 PPG 103 -5.061 -2.551 -12.439 690 HCN2 PGM 101 H272 PPG 103 -3.824 -3.416 -13.049 691 HCO1 PGM 101 H281 PPG 103 -5.994 -4.801 -11.804 692 HCO2 PGM 101 H282 PPG 103 -4.856 -4.125 -10.838 693 HCP1 PGM 101 H291 PPG 103 -4.479 -6.431 -11.048 694 HCP2 PGM 101 H292 PPG 103 -4.372 -6.277 -12.670 695 HCP3 PGM 101 H293 PPG 103 -3.237 -5.601 -11.718 Start of MODEL 13 1 H ALA 1 H ALA 1 3.211 -0.670 1.222 2 HA ALA 1 HA ALA 1 2.066 -0.627 -1.308 3 HB1 ALA 1 HB1 ALA 1 3.783 0.739 -1.917 4 HB2 ALA 1 HB2 ALA 1 3.960 0.828 -0.164 5 HB3 ALA 1 HB3 ALA 1 5.002 -0.241 -1.103 6 H ILE 2 H ILE 2 2.245 -1.836 -3.115 7 HA ILE 2 HA ILE 2 3.471 -4.439 -2.877 8 HB ILE 2 HB ILE 2 2.458 -4.948 -5.008 9 HG12 ILE 2 HG12 ILE 2 1.715 -2.016 -5.124 10 HG13 ILE 2 HG13 ILE 2 2.913 -2.814 -6.137 11 HG21 ILE 2 HG21 ILE 2 0.457 -5.210 -4.065 12 HG22 ILE 2 HG22 ILE 2 1.076 -4.265 -2.712 13 HG23 ILE 2 HG23 ILE 2 0.176 -3.471 -4.003 14 HD11 ILE 2 HD11 ILE 2 0.806 -2.465 -7.312 15 HD12 ILE 2 HD12 ILE 2 1.175 -4.181 -7.137 16 HD13 ILE 2 HD13 ILE 2 -0.032 -3.428 -6.096 17 H SER 3 H SER 3 4.690 -5.289 -4.852 18 HA SER 3 HA SER 3 6.842 -3.389 -5.439 19 HB2 SER 3 HB2 SER 3 6.688 -6.401 -5.491 20 HB3 SER 3 HB3 SER 3 8.036 -5.523 -6.212 21 HG SER 3 HG SER 3 8.781 -5.679 -4.236 22 H CYS 4 H CYS 4 6.734 -2.356 -7.310 23 HA CYS 4 HA CYS 4 5.005 -2.852 -9.398 24 HB2 CYS 4 HB2 CYS 4 6.489 -0.798 -8.956 25 HB3 CYS 4 HB3 CYS 4 7.737 -1.665 -9.844 26 H GLY 5 H GLY 5 8.219 -4.166 -8.836 27 HA2 GLY 5 HA2 GLY 5 8.684 -5.298 -11.354 28 HA3 GLY 5 HA3 GLY 5 9.360 -5.884 -9.842 29 H ALA 6 H ALA 6 6.701 -6.403 -8.693 30 HA ALA 6 HA ALA 6 6.329 -9.031 -9.857 31 HB1 ALA 6 HB1 ALA 6 4.746 -7.915 -7.567 32 HB2 ALA 6 HB2 ALA 6 5.154 -9.595 -7.919 33 HB3 ALA 6 HB3 ALA 6 6.402 -8.484 -7.354 34 H VAL 7 H VAL 7 4.853 -5.942 -10.020 35 HA VAL 7 HA VAL 7 2.201 -6.731 -10.638 36 HB VAL 7 HB VAL 7 3.633 -4.197 -11.449 37 HG11 VAL 7 HG11 VAL 7 0.810 -3.945 -10.961 38 HG12 VAL 7 HG12 VAL 7 1.739 -3.532 -12.404 39 HG13 VAL 7 HG13 VAL 7 1.117 -5.169 -12.192 40 HG21 VAL 7 HG21 VAL 7 3.566 -4.772 -8.971 41 HG22 VAL 7 HG22 VAL 7 2.900 -3.209 -9.443 42 HG23 VAL 7 HG23 VAL 7 1.819 -4.554 -9.080 43 H THR 8 H THR 8 4.909 -5.707 -12.714 44 HA THR 8 HA THR 8 3.503 -6.318 -15.132 45 HB THR 8 HB THR 8 5.588 -5.823 -16.282 46 HG1 THR 8 HG1 THR 8 6.815 -5.520 -13.735 47 HG21 THR 8 HG21 THR 8 5.497 -3.590 -15.908 48 HG22 THR 8 HG22 THR 8 5.705 -3.766 -14.165 49 HG23 THR 8 HG23 THR 8 4.123 -4.035 -14.897 50 H SER 9 H SER 9 5.907 -7.948 -13.139 51 HA SER 9 HA SER 9 6.580 -10.019 -14.900 52 HB2 SER 9 HB2 SER 9 6.716 -9.632 -11.945 53 HB3 SER 9 HB3 SER 9 6.930 -11.265 -12.574 54 HG SER 9 HG SER 9 8.679 -9.243 -12.541 55 H ASP 10 H ASP 10 3.965 -9.733 -12.543 56 HA ASP 10 HA ASP 10 2.995 -12.350 -12.670 57 HB2 ASP 10 HB2 ASP 10 1.704 -9.710 -12.036 58 HB3 ASP 10 HB3 ASP 10 0.754 -11.192 -12.073 59 H LEU 11 H LEU 11 2.837 -9.792 -14.961 60 HA LEU 11 HA LEU 11 0.758 -11.186 -16.497 61 HB2 LEU 11 HB2 LEU 11 1.853 -8.392 -16.611 62 HB3 LEU 11 HB3 LEU 11 0.861 -9.061 -17.904 63 HG LEU 11 HG LEU 11 0.042 -8.528 -15.054 64 HD11 LEU 11 HD11 LEU 11 -0.980 -7.443 -17.674 65 HD12 LEU 11 HD12 LEU 11 0.091 -6.590 -16.563 66 HD13 LEU 11 HD13 LEU 11 -1.548 -7.006 -16.062 67 HD21 LEU 11 HD21 LEU 11 -1.232 -10.371 -15.350 68 HD22 LEU 11 HD22 LEU 11 -1.111 -10.308 -17.108 69 HD23 LEU 11 HD23 LEU 11 -2.242 -9.250 -16.264 70 H SER 12 H SER 12 3.758 -11.769 -16.206 71 HA SER 12 HA SER 12 5.118 -11.237 -18.565 72 HB2 SER 12 HB2 SER 12 5.334 -13.231 -16.401 73 HB3 SER 12 HB3 SER 12 6.059 -13.716 -17.934 74 HG SER 12 HG SER 12 7.642 -12.427 -17.489 75 HA PRO 13 HA PRO 13 3.437 -15.368 -20.414 76 HB2 PRO 13 HB2 PRO 13 1.453 -16.631 -19.058 77 HB3 PRO 13 HB3 PRO 13 3.167 -16.945 -18.766 78 HG2 PRO 13 HG2 PRO 13 1.271 -15.209 -17.232 79 HG3 PRO 13 HG3 PRO 13 2.495 -16.339 -16.624 80 HD2 PRO 13 HD2 PRO 13 2.904 -13.664 -16.725 81 HD3 PRO 13 HD3 PRO 13 4.217 -14.840 -16.938 82 H CYS 14 H CYS 14 1.508 -12.920 -19.000 83 HA CYS 14 HA CYS 14 -0.793 -13.418 -20.705 84 HB2 CYS 14 HB2 CYS 14 -0.239 -11.163 -18.764 85 HB3 CYS 14 HB3 CYS 14 -1.768 -11.453 -19.587 86 H LEU 15 H LEU 15 2.018 -11.371 -20.576 87 HA LEU 15 HA LEU 15 1.409 -9.237 -22.145 88 HB2 LEU 15 HB2 LEU 15 3.662 -10.029 -21.127 89 HB3 LEU 15 HB3 LEU 15 3.912 -10.777 -22.703 90 HG LEU 15 HG LEU 15 3.787 -8.599 -23.779 91 HD11 LEU 15 HD11 LEU 15 2.563 -7.042 -22.754 92 HD12 LEU 15 HD12 LEU 15 3.999 -6.729 -21.780 93 HD13 LEU 15 HD13 LEU 15 2.744 -7.812 -21.177 94 HD21 LEU 15 HD21 LEU 15 5.832 -9.517 -22.112 95 HD22 LEU 15 HD22 LEU 15 5.689 -7.792 -21.774 96 HD23 LEU 15 HD23 LEU 15 5.965 -8.348 -23.426 97 H THR 16 H THR 16 2.066 -12.531 -23.239 98 HA THR 16 HA THR 16 2.167 -12.118 -25.979 99 HB THR 16 HB THR 16 1.013 -14.483 -24.487 100 HG1 THR 16 HG1 THR 16 3.598 -13.885 -25.522 101 HG21 THR 16 HG21 THR 16 1.012 -13.884 -27.286 102 HG22 THR 16 HG22 THR 16 0.414 -15.324 -26.461 103 HG23 THR 16 HG23 THR 16 2.096 -15.241 -26.984 104 H TYR 17 H TYR 17 -0.711 -13.234 -24.183 105 HA TYR 17 HA TYR 17 -2.503 -12.814 -26.310 106 HB2 TYR 17 HB2 TYR 17 -3.175 -14.297 -24.581 107 HB3 TYR 17 HB3 TYR 17 -2.909 -13.084 -23.334 108 HD1 TYR 17 HD1 TYR 17 -4.735 -11.936 -22.499 109 HD2 TYR 17 HD2 TYR 17 -4.992 -13.658 -26.382 110 HE1 TYR 17 HE1 TYR 17 -7.102 -11.279 -22.628 111 HE2 TYR 17 HE2 TYR 17 -7.359 -13.004 -26.521 112 HH TYR 17 HH TYR 17 -8.797 -10.831 -24.353 113 H LEU 18 H LEU 18 -1.352 -10.723 -23.749 114 HA LEU 18 HA LEU 18 -3.294 -8.674 -24.107 115 HB2 LEU 18 HB2 LEU 18 -0.557 -8.662 -22.853 116 HB3 LEU 18 HB3 LEU 18 -1.645 -7.275 -22.839 117 HG LEU 18 HG LEU 18 -2.082 -9.939 -21.494 118 HD11 LEU 18 HD11 LEU 18 -0.520 -8.079 -20.546 119 HD12 LEU 18 HD12 LEU 18 -1.682 -8.882 -19.492 120 HD13 LEU 18 HD13 LEU 18 -2.039 -7.281 -20.140 121 HD21 LEU 18 HD21 LEU 18 -4.260 -9.532 -21.663 122 HD22 LEU 18 HD22 LEU 18 -3.974 -7.948 -22.384 123 HD23 LEU 18 HD23 LEU 18 -4.006 -8.126 -20.629 124 H THR 19 H THR 19 -0.462 -9.586 -25.807 125 HA THR 19 HA THR 19 -0.259 -6.975 -27.123 126 HB THR 19 HB THR 19 1.798 -7.932 -28.185 127 HG1 THR 19 HG1 THR 19 1.791 -9.984 -26.275 128 HG21 THR 19 HG21 THR 19 1.387 -7.113 -25.485 129 HG22 THR 19 HG22 THR 19 2.817 -6.899 -26.496 130 HG23 THR 19 HG23 THR 19 2.642 -8.351 -25.510 131 H GLY 20 H GLY 20 -2.451 -8.953 -27.563 132 HA2 GLY 20 HA2 GLY 20 -3.742 -9.223 -29.508 133 HA3 GLY 20 HA3 GLY 20 -2.307 -8.922 -30.476 134 H GLY 21 H GLY 21 -1.156 -11.017 -28.350 135 HA2 GLY 21 HA2 GLY 21 -1.176 -13.199 -30.170 136 HA3 GLY 21 HA3 GLY 21 -0.545 -13.226 -28.530 137 HA PRO 22 HA PRO 22 -4.469 -15.805 -28.908 138 HB2 PRO 22 HB2 PRO 22 -3.333 -18.193 -28.296 139 HB3 PRO 22 HB3 PRO 22 -3.452 -17.582 -29.950 140 HG2 PRO 22 HG2 PRO 22 -1.122 -17.519 -28.071 141 HG3 PRO 22 HG3 PRO 22 -1.154 -17.904 -29.802 142 HD2 PRO 22 HD2 PRO 22 -0.383 -15.485 -28.861 143 HD3 PRO 22 HD3 PRO 22 -1.204 -15.685 -30.423 144 H GLY 23 H GLY 23 -5.666 -16.550 -27.158 145 HA2 GLY 23 HA2 GLY 23 -5.166 -17.519 -24.772 146 HA3 GLY 23 HA3 GLY 23 -4.521 -15.901 -24.541 147 HA PRO 24 HA PRO 24 -4.918 -15.238 -22.716 148 HB2 PRO 24 HB2 PRO 24 -6.144 -15.564 -20.316 149 HB3 PRO 24 HB3 PRO 24 -6.146 -14.031 -21.195 150 HG2 PRO 24 HG2 PRO 24 -8.273 -16.132 -21.047 151 HG3 PRO 24 HG3 PRO 24 -8.435 -14.368 -20.963 152 HD2 PRO 24 HD2 PRO 24 -8.950 -15.773 -23.220 153 HD3 PRO 24 HD3 PRO 24 -8.300 -14.121 -23.251 154 H SER 25 H SER 25 -3.533 -16.839 -22.312 155 HA SER 25 HA SER 25 -4.283 -19.562 -22.450 156 HB2 SER 25 HB2 SER 25 -1.819 -19.735 -21.399 157 HB3 SER 25 HB3 SER 25 -2.098 -19.351 -23.097 158 HG SER 25 HG SER 25 -0.673 -17.931 -21.648 159 HA PRO 26 HA PRO 26 -5.193 -20.717 -18.318 160 HB2 PRO 26 HB2 PRO 26 -3.868 -23.068 -18.024 161 HB3 PRO 26 HB3 PRO 26 -5.308 -22.897 -19.035 162 HG2 PRO 26 HG2 PRO 26 -2.424 -22.924 -19.836 163 HG3 PRO 26 HG3 PRO 26 -3.807 -23.724 -20.606 164 HD2 PRO 26 HD2 PRO 26 -2.757 -21.409 -21.541 165 HD3 PRO 26 HD3 PRO 26 -4.483 -21.799 -21.679 166 H GLN 27 H GLN 27 -1.778 -20.722 -19.179 167 HA GLN 27 HA GLN 27 -0.850 -20.766 -16.466 168 HB2 GLN 27 HB2 GLN 27 0.633 -19.985 -18.982 169 HB3 GLN 27 HB3 GLN 27 1.358 -20.365 -17.426 170 HG2 GLN 27 HG2 GLN 27 0.653 -22.648 -17.586 171 HG3 GLN 27 HG3 GLN 27 -0.269 -22.305 -19.049 172 HE21 GLN 27 HE21 GLN 27 0.783 -22.109 -20.992 173 HE22 GLN 27 HE22 GLN 27 2.446 -22.525 -21.209 174 H CYS 28 H CYS 28 -1.726 -18.318 -18.779 175 HA CYS 28 HA CYS 28 -0.444 -16.137 -17.468 176 HB2 CYS 28 HB2 CYS 28 -0.903 -15.554 -19.634 177 HB3 CYS 28 HB3 CYS 28 -2.410 -16.463 -19.672 178 H CYS 29 H CYS 29 -3.826 -17.245 -17.576 179 HA CYS 29 HA CYS 29 -4.975 -15.362 -15.924 180 HB2 CYS 29 HB2 CYS 29 -5.583 -18.224 -16.526 181 HB3 CYS 29 HB3 CYS 29 -6.465 -17.436 -15.222 182 H GLY 30 H GLY 30 -3.027 -18.149 -15.065 183 HA2 GLY 30 HA2 GLY 30 -3.584 -18.375 -12.356 184 HA3 GLY 30 HA3 GLY 30 -2.027 -18.740 -13.085 185 H GLY 31 H GLY 31 -1.272 -16.205 -13.958 186 HA2 GLY 31 HA2 GLY 31 -0.342 -15.088 -11.485 187 HA3 GLY 31 HA3 GLY 31 0.011 -14.488 -13.099 188 H VAL 32 H VAL 32 -2.632 -14.061 -13.981 189 HA VAL 32 HA VAL 32 -3.113 -11.466 -13.190 190 HB VAL 32 HB VAL 32 -5.158 -13.451 -14.196 191 HG11 VAL 32 HG11 VAL 32 -6.422 -11.505 -14.931 192 HG12 VAL 32 HG12 VAL 32 -6.178 -11.463 -13.184 193 HG13 VAL 32 HG13 VAL 32 -5.205 -10.435 -14.236 194 HG21 VAL 32 HG21 VAL 32 -4.601 -12.794 -16.381 195 HG22 VAL 32 HG22 VAL 32 -3.665 -11.409 -15.819 196 HG23 VAL 32 HG23 VAL 32 -3.052 -13.045 -15.577 197 H LYS 33 H LYS 33 -4.600 -14.437 -11.943 198 HA LYS 33 HA LYS 33 -6.376 -13.188 -10.148 199 HB2 LYS 33 HB2 LYS 33 -5.123 -15.937 -10.044 200 HB3 LYS 33 HB3 LYS 33 -6.461 -15.409 -9.033 201 HG2 LYS 33 HG2 LYS 33 -7.971 -15.577 -10.703 202 HG3 LYS 33 HG3 LYS 33 -6.816 -15.093 -11.946 203 HD2 LYS 33 HD2 LYS 33 -5.798 -17.287 -11.907 204 HD3 LYS 33 HD3 LYS 33 -6.841 -17.779 -10.570 205 HE2 LYS 33 HE2 LYS 33 -8.686 -16.971 -12.375 206 HE3 LYS 33 HE3 LYS 33 -7.419 -17.559 -13.451 207 HZ1 LYS 33 HZ1 LYS 33 -9.223 -19.175 -12.573 208 HZ2 LYS 33 HZ2 LYS 33 -8.268 -19.217 -11.177 209 HZ3 LYS 33 HZ3 LYS 33 -7.614 -19.691 -12.664 210 H LYS 34 H LYS 34 -3.072 -14.395 -9.752 211 HA LYS 34 HA LYS 34 -2.870 -13.938 -6.979 212 HB2 LYS 34 HB2 LYS 34 -1.277 -15.368 -8.078 213 HB3 LYS 34 HB3 LYS 34 -0.763 -14.063 -9.139 214 HG2 LYS 34 HG2 LYS 34 0.487 -13.045 -7.513 215 HG3 LYS 34 HG3 LYS 34 -0.481 -13.713 -6.197 216 HD2 LYS 34 HD2 LYS 34 0.630 -15.727 -6.223 217 HD3 LYS 34 HD3 LYS 34 1.092 -15.571 -7.920 218 HE2 LYS 34 HE2 LYS 34 3.111 -15.170 -6.937 219 HE3 LYS 34 HE3 LYS 34 2.477 -13.526 -6.984 220 HZ1 LYS 34 HZ1 LYS 34 3.473 -14.456 -4.802 221 HZ2 LYS 34 HZ2 LYS 34 1.970 -15.212 -4.628 222 HZ3 LYS 34 HZ3 LYS 34 2.061 -13.526 -4.739 223 H LEU 35 H LEU 35 -2.230 -11.888 -9.775 224 HA LEU 35 HA LEU 35 -1.030 -9.755 -8.359 225 HB2 LEU 35 HB2 LEU 35 -0.663 -9.798 -10.670 226 HB3 LEU 35 HB3 LEU 35 -2.378 -9.985 -11.027 227 HG LEU 35 HG LEU 35 -2.794 -7.678 -10.462 228 HD11 LEU 35 HD11 LEU 35 -0.301 -7.922 -9.077 229 HD12 LEU 35 HD12 LEU 35 -1.505 -6.637 -8.991 230 HD13 LEU 35 HD13 LEU 35 -0.227 -6.568 -10.205 231 HD21 LEU 35 HD21 LEU 35 -1.928 -8.310 -12.737 232 HD22 LEU 35 HD22 LEU 35 -0.338 -7.765 -12.201 233 HD23 LEU 35 HD23 LEU 35 -1.683 -6.625 -12.276 234 H LEU 36 H LEU 36 -4.350 -10.180 -9.584 235 HA LEU 36 HA LEU 36 -5.364 -7.804 -8.446 236 HB2 LEU 36 HB2 LEU 36 -6.702 -10.345 -9.344 237 HB3 LEU 36 HB3 LEU 36 -7.596 -8.942 -8.762 238 HG LEU 36 HG LEU 36 -5.755 -8.892 -11.149 239 HD11 LEU 36 HD11 LEU 36 -7.825 -10.406 -11.293 240 HD12 LEU 36 HD12 LEU 36 -7.576 -9.208 -12.562 241 HD13 LEU 36 HD13 LEU 36 -8.748 -8.903 -11.280 242 HD21 LEU 36 HD21 LEU 36 -7.927 -6.962 -10.365 243 HD22 LEU 36 HD22 LEU 36 -6.693 -6.765 -11.610 244 HD23 LEU 36 HD23 LEU 36 -6.236 -6.752 -9.906 245 H ALA 37 H ALA 37 -5.108 -11.105 -7.256 246 HA ALA 37 HA ALA 37 -6.727 -10.805 -4.966 247 HB1 ALA 37 HB1 ALA 37 -4.440 -12.692 -5.509 248 HB2 ALA 37 HB2 ALA 37 -5.537 -12.814 -4.133 249 HB3 ALA 37 HB3 ALA 37 -6.157 -12.997 -5.774 250 H ALA 38 H ALA 38 -3.532 -9.748 -5.698 251 HA ALA 38 HA ALA 38 -2.745 -9.421 -2.929 252 HB1 ALA 38 HB1 ALA 38 -1.415 -8.662 -5.523 253 HB2 ALA 38 HB2 ALA 38 -0.724 -8.332 -3.933 254 HB3 ALA 38 HB3 ALA 38 -1.001 -9.997 -4.446 255 H ALA 39 H ALA 39 -3.912 -7.433 -5.587 256 HA ALA 39 HA ALA 39 -3.530 -4.947 -4.206 257 HB1 ALA 39 HB1 ALA 39 -3.537 -5.173 -6.687 258 HB2 ALA 39 HB2 ALA 39 -5.272 -5.479 -6.606 259 HB3 ALA 39 HB3 ALA 39 -4.626 -3.927 -6.074 260 H ASN 40 H ASN 40 -4.668 -5.908 -2.238 261 HA ASN 40 HA ASN 40 -7.583 -5.749 -2.431 262 HB2 ASN 40 HB2 ASN 40 -6.437 -7.670 -1.246 263 HB3 ASN 40 HB3 ASN 40 -5.940 -6.514 -0.014 264 HD21 ASN 40 HD21 ASN 40 -7.135 -7.849 1.456 265 HD22 ASN 40 HD22 ASN 40 -8.848 -7.666 1.587 266 H THR 41 H THR 41 -4.969 -3.791 -1.692 267 HA THR 41 HA THR 41 -6.556 -2.090 0.108 268 HB THR 41 HB THR 41 -4.082 -0.937 0.084 269 HG1 THR 41 HG1 THR 41 -3.507 -3.698 0.232 270 HG21 THR 41 HG21 THR 41 -4.803 -1.210 2.205 271 HG22 THR 41 HG22 THR 41 -3.824 -2.676 2.156 272 HG23 THR 41 HG23 THR 41 -5.559 -2.763 1.855 273 H THR 42 H THR 42 -6.295 0.278 -0.199 274 HA THR 42 HA THR 42 -7.003 1.024 -2.829 275 HB THR 42 HB THR 42 -6.381 2.573 -0.336 276 HG1 THR 42 HG1 THR 42 -8.558 3.032 -0.479 277 HG21 THR 42 HG21 THR 42 -5.556 4.182 -1.735 278 HG22 THR 42 HG22 THR 42 -7.277 4.544 -1.877 279 HG23 THR 42 HG23 THR 42 -6.468 3.596 -3.125 280 HA PRO 43 HA PRO 43 -2.610 3.065 -2.987 281 HB2 PRO 43 HB2 PRO 43 -0.807 2.212 -1.144 282 HB3 PRO 43 HB3 PRO 43 -1.877 3.592 -0.874 283 HG2 PRO 43 HG2 PRO 43 -2.157 0.765 0.071 284 HG3 PRO 43 HG3 PRO 43 -2.445 2.275 0.956 285 HD2 PRO 43 HD2 PRO 43 -4.454 0.804 -0.108 286 HD3 PRO 43 HD3 PRO 43 -4.530 2.573 0.020 287 H ASP 44 H ASP 44 -3.368 -0.208 -2.511 288 HA ASP 44 HA ASP 44 -0.909 -1.230 -3.672 289 HB2 ASP 44 HB2 ASP 44 -3.320 -2.410 -2.399 290 HB3 ASP 44 HB3 ASP 44 -2.487 -3.398 -3.595 291 H ARG 45 H ARG 45 -4.273 -0.718 -4.576 292 HA ARG 45 HA ARG 45 -4.032 -2.011 -7.121 293 HB2 ARG 45 HB2 ARG 45 -6.143 -0.008 -6.335 294 HB3 ARG 45 HB3 ARG 45 -6.264 -1.299 -7.524 295 HG2 ARG 45 HG2 ARG 45 -5.630 -2.531 -5.080 296 HG3 ARG 45 HG3 ARG 45 -6.889 -1.343 -4.737 297 HD2 ARG 45 HD2 ARG 45 -7.898 -2.417 -6.973 298 HD3 ARG 45 HD3 ARG 45 -6.985 -3.803 -6.378 299 HE ARG 45 HE ARG 45 -8.387 -2.946 -4.206 300 HH11 ARG 45 HH11 ARG 45 -9.234 -3.877 -7.452 301 HH12 ARG 45 HH12 ARG 45 -10.799 -4.475 -7.011 302 HH21 ARG 45 HH21 ARG 45 -10.445 -3.729 -3.613 303 HH22 ARG 45 HH22 ARG 45 -11.488 -4.389 -4.827 304 H GLN 46 H GLN 46 -3.970 1.337 -5.980 305 HA GLN 46 HA GLN 46 -3.951 2.661 -8.415 306 HB2 GLN 46 HB2 GLN 46 -2.472 3.392 -5.882 307 HB3 GLN 46 HB3 GLN 46 -2.775 4.484 -7.227 308 HG2 GLN 46 HG2 GLN 46 -5.085 4.522 -6.817 309 HG3 GLN 46 HG3 GLN 46 -5.000 3.119 -5.752 310 HE21 GLN 46 HE21 GLN 46 -6.106 5.768 -5.257 311 HE22 GLN 46 HE22 GLN 46 -5.268 6.390 -3.881 312 H ALA 47 H ALA 47 -1.161 1.506 -6.529 313 HA ALA 47 HA ALA 47 0.794 2.286 -8.410 314 HB1 ALA 47 HB1 ALA 47 1.709 1.913 -6.343 315 HB2 ALA 47 HB2 ALA 47 0.745 0.464 -6.054 316 HB3 ALA 47 HB3 ALA 47 2.123 0.402 -7.154 317 H ALA 48 H ALA 48 -0.859 -0.806 -7.851 318 HA ALA 48 HA ALA 48 0.485 -2.418 -9.636 319 HB1 ALA 48 HB1 ALA 48 -1.516 -3.784 -9.735 320 HB2 ALA 48 HB2 ALA 48 -1.251 -3.210 -8.088 321 HB3 ALA 48 HB3 ALA 48 -2.482 -2.453 -9.099 322 H CYS 49 H CYS 49 -2.432 -0.481 -10.323 323 HA CYS 49 HA CYS 49 -2.473 -1.046 -13.088 324 HB2 CYS 49 HB2 CYS 49 -4.449 -0.234 -11.889 325 HB3 CYS 49 HB3 CYS 49 -3.645 1.302 -11.581 326 H ASN 50 H ASN 50 -1.456 1.908 -11.364 327 HA ASN 50 HA ASN 50 -0.536 3.371 -13.506 328 HB2 ASN 50 HB2 ASN 50 0.589 3.234 -10.701 329 HB3 ASN 50 HB3 ASN 50 1.002 4.479 -11.876 330 HD21 ASN 50 HD21 ASN 50 -0.216 4.824 -9.303 331 HD22 ASN 50 HD22 ASN 50 -1.755 5.562 -9.570 332 H CYS 51 H CYS 51 0.938 0.630 -11.944 333 HA CYS 51 HA CYS 51 3.552 0.976 -13.014 334 HB2 CYS 51 HB2 CYS 51 2.076 -1.194 -11.612 335 HB3 CYS 51 HB3 CYS 51 3.497 -1.658 -12.542 336 H LEU 52 H LEU 52 0.943 -1.299 -13.883 337 HA LEU 52 HA LEU 52 2.192 -2.266 -16.212 338 HB2 LEU 52 HB2 LEU 52 -0.754 -2.141 -15.585 339 HB3 LEU 52 HB3 LEU 52 0.007 -3.166 -16.799 340 HG LEU 52 HG LEU 52 0.348 -3.385 -13.809 341 HD11 LEU 52 HD11 LEU 52 -1.744 -4.271 -14.252 342 HD12 LEU 52 HD12 LEU 52 -0.694 -5.682 -14.374 343 HD13 LEU 52 HD13 LEU 52 -1.264 -4.880 -15.837 344 HD21 LEU 52 HD21 LEU 52 2.057 -4.223 -15.909 345 HD22 LEU 52 HD22 LEU 52 1.283 -5.658 -15.237 346 HD23 LEU 52 HD23 LEU 52 2.186 -4.567 -14.184 347 H LYS 53 H LYS 53 -0.265 0.256 -15.748 348 HA LYS 53 HA LYS 53 -0.817 0.921 -18.354 349 HB2 LYS 53 HB2 LYS 53 -1.093 2.166 -15.782 350 HB3 LYS 53 HB3 LYS 53 -0.587 3.372 -16.958 351 HG2 LYS 53 HG2 LYS 53 -2.475 2.916 -18.345 352 HG3 LYS 53 HG3 LYS 53 -2.927 1.524 -17.357 353 HD2 LYS 53 HD2 LYS 53 -4.374 3.169 -16.600 354 HD3 LYS 53 HD3 LYS 53 -3.058 3.251 -15.427 355 HE2 LYS 53 HE2 LYS 53 -2.835 4.959 -17.838 356 HE3 LYS 53 HE3 LYS 53 -4.052 5.410 -16.644 357 HZ1 LYS 53 HZ1 LYS 53 -2.111 6.539 -16.030 358 HZ2 LYS 53 HZ2 LYS 53 -1.125 5.186 -16.272 359 HZ3 LYS 53 HZ3 LYS 53 -2.194 5.229 -14.962 360 H SER 54 H SER 54 1.691 2.477 -16.344 361 HA SER 54 HA SER 54 2.832 4.038 -18.337 362 HB2 SER 54 HB2 SER 54 3.391 4.362 -15.994 363 HB3 SER 54 HB3 SER 54 4.150 2.772 -15.923 364 HG SER 54 HG SER 54 5.827 3.496 -17.078 365 H ALA 55 H ALA 55 3.607 0.720 -17.366 366 HA ALA 55 HA ALA 55 5.800 0.358 -19.094 367 HB1 ALA 55 HB1 ALA 55 5.534 -1.168 -17.304 368 HB2 ALA 55 HB2 ALA 55 3.903 -1.600 -17.821 369 HB3 ALA 55 HB3 ALA 55 5.294 -2.094 -18.787 370 H ALA 56 H ALA 56 2.372 0.263 -19.623 371 HA ALA 56 HA ALA 56 2.466 -1.195 -22.085 372 HB1 ALA 56 HB1 ALA 56 0.304 -1.352 -21.617 373 HB2 ALA 56 HB2 ALA 56 0.446 -0.121 -20.362 374 HB3 ALA 56 HB3 ALA 56 0.123 0.353 -22.030 375 H GLY 57 H GLY 57 2.617 2.186 -21.164 376 HA2 GLY 57 HA2 GLY 57 2.095 3.375 -23.641 377 HA3 GLY 57 HA3 GLY 57 3.093 4.075 -22.375 378 H SER 58 H SER 58 4.883 1.643 -22.545 379 HA SER 58 HA SER 58 6.564 2.697 -24.675 380 HB2 SER 58 HB2 SER 58 7.413 2.189 -22.327 381 HB3 SER 58 HB3 SER 58 7.263 0.482 -22.744 382 HG SER 58 HG SER 58 9.305 0.975 -23.296 383 H ILE 59 H ILE 59 4.151 0.553 -24.603 384 HA ILE 59 HA ILE 59 5.451 -1.376 -26.400 385 HB ILE 59 HB ILE 59 2.690 -1.699 -25.261 386 HG12 ILE 59 HG12 ILE 59 5.305 -2.529 -23.982 387 HG13 ILE 59 HG13 ILE 59 4.181 -1.326 -23.360 388 HG21 ILE 59 HG21 ILE 59 4.224 -4.097 -25.534 389 HG22 ILE 59 HG22 ILE 59 2.734 -3.630 -26.352 390 HG23 ILE 59 HG23 ILE 59 4.294 -3.178 -27.038 391 HD11 ILE 59 HD11 ILE 59 2.586 -3.525 -23.614 392 HD12 ILE 59 HD12 ILE 59 4.133 -4.228 -23.142 393 HD13 ILE 59 HD13 ILE 59 3.378 -2.997 -22.130 394 H THR 60 H THR 60 4.751 -1.680 -28.466 395 HA THR 60 HA THR 60 2.823 0.294 -29.477 396 HB THR 60 HB THR 60 5.183 0.202 -30.428 397 HG1 THR 60 HG1 THR 60 3.096 -0.233 -32.317 398 HG21 THR 60 HG21 THR 60 5.172 -2.339 -30.515 399 HG22 THR 60 HG22 THR 60 5.770 -1.510 -31.952 400 HG23 THR 60 HG23 THR 60 4.142 -2.186 -31.938 401 H LYS 61 H LYS 61 3.485 -3.120 -29.238 402 HA LYS 61 HA LYS 61 1.240 -3.796 -30.974 403 HB2 LYS 61 HB2 LYS 61 3.255 -5.521 -29.524 404 HB3 LYS 61 HB3 LYS 61 1.958 -6.152 -30.531 405 HG2 LYS 61 HG2 LYS 61 2.984 -5.568 -32.463 406 HG3 LYS 61 HG3 LYS 61 3.742 -4.138 -31.759 407 HD2 LYS 61 HD2 LYS 61 5.535 -5.579 -32.146 408 HD3 LYS 61 HD3 LYS 61 5.179 -5.811 -30.433 409 HE2 LYS 61 HE2 LYS 61 5.351 -7.990 -31.123 410 HE3 LYS 61 HE3 LYS 61 3.623 -7.719 -31.346 411 HZ1 LYS 61 HZ1 LYS 61 4.704 -6.925 -33.707 412 HZ2 LYS 61 HZ2 LYS 61 3.969 -8.421 -33.416 413 HZ3 LYS 61 HZ3 LYS 61 5.650 -8.267 -33.298 414 H LEU 62 H LEU 62 1.209 -2.592 -28.110 415 HA LEU 62 HA LEU 62 -0.013 -4.499 -26.423 416 HB2 LEU 62 HB2 LEU 62 0.952 -2.518 -25.490 417 HB3 LEU 62 HB3 LEU 62 -0.110 -1.490 -26.451 418 HG LEU 62 HG LEU 62 -2.022 -2.599 -25.117 419 HD11 LEU 62 HD11 LEU 62 -0.658 -2.922 -22.717 420 HD12 LEU 62 HD12 LEU 62 0.300 -3.809 -23.902 421 HD13 LEU 62 HD13 LEU 62 -1.410 -4.186 -23.690 422 HD21 LEU 62 HD21 LEU 62 -0.137 -0.465 -24.344 423 HD22 LEU 62 HD22 LEU 62 -1.220 -1.041 -23.077 424 HD23 LEU 62 HD23 LEU 62 -1.883 -0.409 -24.584 425 H ASN 63 H ASN 63 -1.993 -5.329 -26.446 426 HA ASN 63 HA ASN 63 -4.012 -4.071 -28.172 427 HB2 ASN 63 HB2 ASN 63 -3.672 -6.913 -27.209 428 HB3 ASN 63 HB3 ASN 63 -5.136 -6.345 -28.006 429 HD21 ASN 63 HD21 ASN 63 -5.203 -6.845 -30.061 430 HD22 ASN 63 HD22 ASN 63 -3.856 -6.936 -31.139 431 H THR 64 H THR 64 -4.811 -2.555 -26.715 432 HA THR 64 HA THR 64 -5.459 -2.906 -24.057 433 HB THR 64 HB THR 64 -6.998 -1.049 -24.266 434 HG1 THR 64 HG1 THR 64 -6.713 -1.129 -27.083 435 HG21 THR 64 HG21 THR 64 -5.451 0.535 -24.833 436 HG22 THR 64 HG22 THR 64 -4.966 -0.308 -26.305 437 HG23 THR 64 HG23 THR 64 -4.389 -0.869 -24.736 438 H ASN 65 H ASN 65 -7.114 -4.075 -26.878 439 HA ASN 65 HA ASN 65 -9.645 -4.561 -25.737 440 HB2 ASN 65 HB2 ASN 65 -8.175 -5.500 -28.147 441 HB3 ASN 65 HB3 ASN 65 -9.553 -6.462 -27.621 442 HD21 ASN 65 HD21 ASN 65 -8.544 -3.220 -28.541 443 HD22 ASN 65 HD22 ASN 65 -10.089 -2.706 -29.118 444 H ASN 66 H ASN 66 -6.736 -6.563 -25.995 445 HA ASN 66 HA ASN 66 -7.944 -8.835 -24.733 446 HB2 ASN 66 HB2 ASN 66 -5.080 -8.141 -25.397 447 HB3 ASN 66 HB3 ASN 66 -5.546 -9.654 -24.624 448 HD21 ASN 66 HD21 ASN 66 -4.527 -8.647 -27.395 449 HD22 ASN 66 HD22 ASN 66 -5.474 -9.579 -28.498 450 H ALA 67 H ALA 67 -6.429 -5.952 -23.646 451 HA ALA 67 HA ALA 67 -5.582 -6.919 -21.091 452 HB1 ALA 67 HB1 ALA 67 -4.406 -5.041 -21.722 453 HB2 ALA 67 HB2 ALA 67 -5.838 -4.225 -22.351 454 HB3 ALA 67 HB3 ALA 67 -5.592 -4.358 -20.610 455 H ALA 68 H ALA 68 -8.474 -5.353 -22.347 456 HA ALA 68 HA ALA 68 -9.676 -4.963 -19.776 457 HB1 ALA 68 HB1 ALA 68 -11.696 -4.951 -21.716 458 HB2 ALA 68 HB2 ALA 68 -10.877 -3.559 -21.007 459 HB3 ALA 68 HB3 ALA 68 -10.269 -4.274 -22.500 460 H ALA 69 H ALA 69 -9.935 -7.381 -22.339 461 HA ALA 69 HA ALA 69 -11.967 -8.864 -20.897 462 HB1 ALA 69 HB1 ALA 69 -12.181 -8.813 -23.277 463 HB2 ALA 69 HB2 ALA 69 -10.533 -9.404 -23.491 464 HB3 ALA 69 HB3 ALA 69 -11.766 -10.461 -22.803 465 H LEU 70 H LEU 70 -8.637 -8.622 -20.777 466 HA LEU 70 HA LEU 70 -7.728 -11.230 -20.501 467 HB2 LEU 70 HB2 LEU 70 -5.997 -9.758 -20.509 468 HB3 LEU 70 HB3 LEU 70 -6.855 -8.577 -19.522 469 HG LEU 70 HG LEU 70 -6.388 -9.925 -17.523 470 HD11 LEU 70 HD11 LEU 70 -5.875 -12.070 -17.732 471 HD12 LEU 70 HD12 LEU 70 -4.321 -11.601 -18.420 472 HD13 LEU 70 HD13 LEU 70 -5.700 -11.899 -19.479 473 HD21 LEU 70 HD21 LEU 70 -3.784 -9.519 -18.945 474 HD22 LEU 70 HD22 LEU 70 -4.193 -9.211 -17.258 475 HD23 LEU 70 HD23 LEU 70 -4.808 -8.147 -18.524 476 HA PRO 71 HA PRO 71 -8.674 -10.993 -15.771 477 HB2 PRO 71 HB2 PRO 71 -10.171 -8.903 -14.900 478 HB3 PRO 71 HB3 PRO 71 -8.407 -8.847 -14.994 479 HG2 PRO 71 HG2 PRO 71 -10.441 -7.763 -16.905 480 HG3 PRO 71 HG3 PRO 71 -8.942 -7.015 -16.323 481 HD2 PRO 71 HD2 PRO 71 -9.129 -8.211 -18.746 482 HD3 PRO 71 HD3 PRO 71 -7.628 -8.205 -17.797 483 H GLY 72 H GLY 72 -11.079 -9.886 -18.070 484 HA2 GLY 72 HA2 GLY 72 -13.345 -10.874 -16.631 485 HA3 GLY 72 HA3 GLY 72 -13.317 -10.382 -18.319 486 H LYS 73 H LYS 73 -11.382 -12.141 -19.297 487 HA LYS 73 HA LYS 73 -12.954 -14.477 -19.679 488 HB2 LYS 73 HB2 LYS 73 -10.307 -13.497 -20.615 489 HB3 LYS 73 HB3 LYS 73 -10.607 -15.227 -20.717 490 HG2 LYS 73 HG2 LYS 73 -12.310 -14.976 -22.258 491 HG3 LYS 73 HG3 LYS 73 -12.605 -13.294 -21.809 492 HD2 LYS 73 HD2 LYS 73 -10.116 -13.016 -22.677 493 HD3 LYS 73 HD3 LYS 73 -10.541 -14.454 -23.608 494 HE2 LYS 73 HE2 LYS 73 -12.457 -12.181 -23.580 495 HE3 LYS 73 HE3 LYS 73 -10.979 -12.007 -24.525 496 HZ1 LYS 73 HZ1 LYS 73 -13.030 -14.133 -24.812 497 HZ2 LYS 73 HZ2 LYS 73 -11.556 -14.118 -25.640 498 HZ3 LYS 73 HZ3 LYS 73 -12.692 -12.894 -25.913 499 H CYS 74 H CYS 74 -10.569 -13.588 -17.384 500 HA CYS 74 HA CYS 74 -9.844 -16.307 -16.700 501 HB2 CYS 74 HB2 CYS 74 -9.143 -13.622 -15.511 502 HB3 CYS 74 HB3 CYS 74 -8.610 -15.145 -14.806 503 H GLY 75 H GLY 75 -12.530 -14.517 -16.194 504 HA2 GLY 75 HA2 GLY 75 -14.367 -15.066 -14.874 505 HA3 GLY 75 HA3 GLY 75 -13.351 -16.179 -13.970 506 H VAL 76 H VAL 76 -12.337 -12.894 -14.459 507 HA VAL 76 HA VAL 76 -12.672 -12.417 -11.582 508 HB VAL 76 HB VAL 76 -11.044 -10.683 -13.415 509 HG11 VAL 76 HG11 VAL 76 -9.785 -10.905 -10.981 510 HG12 VAL 76 HG12 VAL 76 -10.847 -9.587 -11.478 511 HG13 VAL 76 HG13 VAL 76 -11.494 -10.940 -10.549 512 HG21 VAL 76 HG21 VAL 76 -10.260 -12.938 -13.820 513 HG22 VAL 76 HG22 VAL 76 -9.077 -12.062 -12.850 514 HG23 VAL 76 HG23 VAL 76 -10.145 -13.238 -12.086 515 H ASN 77 H ASN 77 -13.247 -10.219 -10.892 516 HA ASN 77 HA ASN 77 -14.899 -8.764 -12.836 517 HB2 ASN 77 HB2 ASN 77 -15.752 -9.991 -10.264 518 HB3 ASN 77 HB3 ASN 77 -16.411 -8.406 -10.658 519 HD21 ASN 77 HD21 ASN 77 -16.622 -11.733 -11.172 520 HD22 ASN 77 HD22 ASN 77 -17.808 -11.714 -12.428 521 H ILE 78 H ILE 78 -14.491 -6.652 -12.851 522 HA ILE 78 HA ILE 78 -13.335 -5.421 -10.440 523 HB ILE 78 HB ILE 78 -12.484 -4.803 -13.271 524 HG12 ILE 78 HG12 ILE 78 -10.246 -5.723 -12.131 525 HG13 ILE 78 HG13 ILE 78 -11.414 -6.649 -11.194 526 HG21 ILE 78 HG21 ILE 78 -12.104 -3.476 -10.708 527 HG22 ILE 78 HG22 ILE 78 -10.589 -3.812 -11.544 528 HG23 ILE 78 HG23 ILE 78 -11.848 -2.873 -12.346 529 HD11 ILE 78 HD11 ILE 78 -10.697 -6.833 -14.057 530 HD12 ILE 78 HD12 ILE 78 -11.076 -8.104 -12.893 531 HD13 ILE 78 HD13 ILE 78 -12.374 -7.151 -13.613 532 HA PRO 79 HA PRO 79 -16.828 -2.727 -11.123 533 HB2 PRO 79 HB2 PRO 79 -16.394 -1.177 -8.937 534 HB3 PRO 79 HB3 PRO 79 -17.125 -2.784 -8.845 535 HG2 PRO 79 HG2 PRO 79 -14.295 -1.957 -8.325 536 HG3 PRO 79 HG3 PRO 79 -15.320 -3.076 -7.408 537 HD2 PRO 79 HD2 PRO 79 -13.438 -3.927 -9.158 538 HD3 PRO 79 HD3 PRO 79 -14.947 -4.816 -8.872 539 H TYR 80 H TYR 80 -13.513 -2.014 -11.237 540 HA TYR 80 HA TYR 80 -13.955 0.809 -11.874 541 HB2 TYR 80 HB2 TYR 80 -11.597 -0.820 -11.070 542 HB3 TYR 80 HB3 TYR 80 -11.305 0.580 -12.097 543 HD1 TYR 80 HD1 TYR 80 -12.013 -0.568 -8.762 544 HD2 TYR 80 HD2 TYR 80 -12.064 2.849 -11.296 545 HE1 TYR 80 HE1 TYR 80 -12.091 0.890 -6.783 546 HE2 TYR 80 HE2 TYR 80 -12.141 4.317 -9.324 547 HH TYR 80 HH TYR 80 -12.991 4.000 -6.826 548 H LYS 81 H LYS 81 -12.569 1.646 -13.742 549 HA LYS 81 HA LYS 81 -13.267 0.104 -16.093 550 HB2 LYS 81 HB2 LYS 81 -12.166 2.877 -15.669 551 HB3 LYS 81 HB3 LYS 81 -12.300 2.165 -17.272 552 HG2 LYS 81 HG2 LYS 81 -14.279 3.264 -17.202 553 HG3 LYS 81 HG3 LYS 81 -14.788 1.741 -16.470 554 HD2 LYS 81 HD2 LYS 81 -14.553 2.677 -14.257 555 HD3 LYS 81 HD3 LYS 81 -13.893 4.172 -14.923 556 HE2 LYS 81 HE2 LYS 81 -16.182 4.570 -14.390 557 HE3 LYS 81 HE3 LYS 81 -16.053 4.480 -16.146 558 HZ1 LYS 81 HZ1 LYS 81 -16.997 2.344 -16.162 559 HZ2 LYS 81 HZ2 LYS 81 -17.962 3.243 -15.104 560 HZ3 LYS 81 HZ3 LYS 81 -16.826 2.150 -14.490 561 H ILE 82 H ILE 82 -11.705 -0.178 -17.868 562 HA ILE 82 HA ILE 82 -9.077 -0.938 -16.797 563 HB ILE 82 HB ILE 82 -10.814 -2.045 -18.932 564 HG12 ILE 82 HG12 ILE 82 -10.468 -3.084 -16.674 565 HG13 ILE 82 HG13 ILE 82 -10.080 -4.146 -18.022 566 HG21 ILE 82 HG21 ILE 82 -8.796 -3.186 -19.934 567 HG22 ILE 82 HG22 ILE 82 -8.984 -1.476 -20.317 568 HG23 ILE 82 HG23 ILE 82 -7.812 -1.983 -19.101 569 HD11 ILE 82 HD11 ILE 82 -8.474 -3.507 -15.831 570 HD12 ILE 82 HD12 ILE 82 -8.024 -4.430 -17.264 571 HD13 ILE 82 HD13 ILE 82 -7.749 -2.689 -17.214 572 H SER 83 H SER 83 -10.671 1.089 -19.113 573 HA SER 83 HA SER 83 -8.792 1.643 -21.000 574 HB2 SER 83 HB2 SER 83 -10.363 3.808 -19.591 575 HB3 SER 83 HB3 SER 83 -9.784 3.815 -21.256 576 HG SER 83 HG SER 83 -12.052 2.737 -20.217 577 H THR 84 H THR 84 -6.801 2.461 -21.067 578 HA THR 84 HA THR 84 -5.377 3.033 -18.679 579 HB THR 84 HB THR 84 -3.603 3.882 -20.383 580 HG1 THR 84 HG1 THR 84 -5.118 2.363 -22.216 581 HG21 THR 84 HG21 THR 84 -2.764 1.856 -19.990 582 HG22 THR 84 HG22 THR 84 -3.892 1.141 -21.143 583 HG23 THR 84 HG23 THR 84 -4.355 1.320 -19.451 584 H THR 85 H THR 85 -7.463 4.909 -20.506 585 HA THR 85 HA THR 85 -6.166 7.444 -20.264 586 HB THR 85 HB THR 85 -8.306 8.412 -20.948 587 HG1 THR 85 HG1 THR 85 -10.131 7.146 -21.120 588 HG21 THR 85 HG21 THR 85 -8.268 6.068 -22.723 589 HG22 THR 85 HG22 THR 85 -6.698 6.830 -22.470 590 HG23 THR 85 HG23 THR 85 -8.047 7.777 -23.096 591 H THR 86 H THR 86 -8.184 5.514 -18.217 592 HA THR 86 HA THR 86 -9.025 7.648 -16.497 593 HB THR 86 HB THR 86 -9.014 4.665 -15.994 594 HG1 THR 86 HG1 THR 86 -11.204 6.322 -16.737 595 HG21 THR 86 HG21 THR 86 -9.345 5.435 -13.875 596 HG22 THR 86 HG22 THR 86 -11.001 5.584 -14.463 597 HG23 THR 86 HG23 THR 86 -9.949 6.999 -14.421 598 H ASN 87 H ASN 87 -8.281 8.150 -14.433 599 HA ASN 87 HA ASN 87 -5.462 7.618 -14.011 600 HB2 ASN 87 HB2 ASN 87 -6.592 9.898 -13.734 601 HB3 ASN 87 HB3 ASN 87 -7.257 9.264 -12.231 602 HD21 ASN 87 HD21 ASN 87 -6.065 11.041 -11.274 603 HD22 ASN 87 HD22 ASN 87 -4.391 10.828 -10.901 604 H CYS 88 H CYS 88 -5.048 5.670 -13.150 605 HA CYS 88 HA CYS 88 -6.777 4.380 -11.278 606 HB2 CYS 88 HB2 CYS 88 -3.920 3.749 -12.052 607 HB3 CYS 88 HB3 CYS 88 -4.982 2.692 -11.127 608 H ASN 89 H ASN 89 -4.721 6.933 -10.920 609 HA ASN 89 HA ASN 89 -3.561 6.257 -8.380 610 HB2 ASN 89 HB2 ASN 89 -2.205 7.841 -9.268 611 HB3 ASN 89 HB3 ASN 89 -3.498 8.549 -10.232 612 HD21 ASN 89 HD21 ASN 89 -4.903 10.062 -9.247 613 HD22 ASN 89 HD22 ASN 89 -4.405 10.955 -7.854 614 H THR 90 H THR 90 -6.478 7.775 -9.502 615 HA THR 90 HA THR 90 -7.166 8.614 -6.776 616 HB THR 90 HB THR 90 -7.488 10.336 -8.454 617 HG1 THR 90 HG1 THR 90 -9.218 10.859 -7.369 618 HG21 THR 90 HG21 THR 90 -9.397 8.419 -9.799 619 HG22 THR 90 HG22 THR 90 -7.795 8.848 -10.398 620 HG23 THR 90 HG23 THR 90 -9.056 10.076 -10.294 621 H VAL 91 H VAL 91 -7.128 5.867 -7.216 622 HA VAL 91 HA VAL 91 -9.998 5.189 -7.264 623 HB VAL 91 HB VAL 91 -9.478 3.006 -8.041 624 HG11 VAL 91 HG11 VAL 91 -7.675 4.870 -9.576 625 HG12 VAL 91 HG12 VAL 91 -8.491 3.429 -10.184 626 HG13 VAL 91 HG13 VAL 91 -9.432 4.847 -9.719 627 HG21 VAL 91 HG21 VAL 91 -6.773 2.842 -8.536 628 HG22 VAL 91 HG22 VAL 91 -6.848 3.609 -6.950 629 HG23 VAL 91 HG23 VAL 91 -7.634 2.052 -7.215 630 H LYS 92 H LYS 92 -10.810 3.798 -5.689 631 HA LYS 92 HA LYS 92 -9.223 3.716 -3.233 632 HB2 LYS 92 HB2 LYS 92 -11.243 3.512 -2.049 633 HB3 LYS 92 HB3 LYS 92 -11.608 4.642 -3.346 634 HG2 LYS 92 HG2 LYS 92 -12.364 2.448 -4.590 635 HG3 LYS 92 HG3 LYS 92 -12.540 1.851 -2.938 636 HD2 LYS 92 HD2 LYS 92 -14.070 3.612 -2.396 637 HD3 LYS 92 HD3 LYS 92 -13.769 4.416 -3.939 638 HE2 LYS 92 HE2 LYS 92 -15.891 3.220 -3.980 639 HE3 LYS 92 HE3 LYS 92 -14.749 2.513 -5.121 640 HZ1 LYS 92 HZ1 LYS 92 -16.065 0.923 -3.687 641 HZ2 LYS 92 HZ2 LYS 92 -15.107 1.433 -2.390 642 HZ3 LYS 92 HZ3 LYS 92 -14.390 0.685 -3.728 643 H PHE 93 H PHE 93 -10.395 1.631 -1.894 644 HA PHE 93 HA PHE 93 -9.255 -0.653 -3.316 645 HB2 PHE 93 HB2 PHE 93 -9.047 -1.720 -1.206 646 HB3 PHE 93 HB3 PHE 93 -8.578 -0.043 -0.943 647 HD1 PHE 93 HD1 PHE 93 -10.040 1.479 0.286 648 HD2 PHE 93 HD2 PHE 93 -11.015 -2.635 -0.201 649 HE1 PHE 93 HE1 PHE 93 -11.701 1.663 2.092 650 HE2 PHE 93 HE2 PHE 93 -12.679 -2.458 1.603 651 HZ PHE 93 HZ PHE 93 -13.024 -0.307 2.751 652 HC11 PGM 101 H11 PPG 103 9.490 -1.950 -21.431 653 HC12 PGM 101 H12 PPG 103 8.885 -0.518 -21.948 654 HO1 PGM 101 H1 PPG 103 11.372 -1.640 -22.593 655 HC2 PGM 101 H2A PPG 103 11.293 -0.477 -20.300 656 HO2 PGM 101 H2 PPG 103 10.255 1.342 -21.575 657 HC31 PGM 101 H31 PPG 103 8.471 -0.623 -19.499 658 HC32 PGM 101 H32 PPG 103 9.617 -0.055 -18.472 659 HC71 PGM 101 H91 PPG 103 8.120 -4.910 -18.555 660 HC72 PGM 101 H92 PPG 103 8.593 -3.830 -19.673 661 HC8 PGM 101 H10A PPG 103 7.140 -5.424 -20.670 662 HO8 PGM 101 H10 PPG 103 5.327 -3.783 -21.190 663 HC91 PGM 101 H111 PPG 103 5.365 -4.473 -18.546 664 HC92 PGM 101 H112 PPG 103 5.698 -6.032 -18.877 665 HCB1 PGM 101 H151 PPG 103 2.079 -5.253 -21.213 666 HCB2 PGM 101 H152 PPG 103 1.775 -3.680 -20.903 667 HCC1 PGM 101 H161 PPG 103 0.754 -4.411 -18.773 668 HCC2 PGM 101 H162 PPG 103 0.866 -5.940 -19.331 669 HCD1 PGM 101 H171 PPG 103 -1.129 -5.473 -20.232 670 HCD2 PGM 101 H172 PPG 103 -0.207 -4.832 -21.407 671 HCE1 PGM 101 H181 PPG 103 -1.672 -3.163 -20.985 672 HCE2 PGM 101 H182 PPG 103 -0.372 -2.714 -20.115 673 HCF1 PGM 101 H191 PPG 103 -1.414 -2.912 -18.222 674 HCF2 PGM 101 H192 PPG 103 -2.204 -4.256 -18.697 675 HCG1 PGM 101 H201 PPG 103 -3.973 -2.979 -18.491 676 HCG2 PGM 101 H202 PPG 103 -3.570 -2.514 -19.997 677 HCH1 PGM 101 H211 PPG 103 -3.936 -0.537 -18.853 678 HCH2 PGM 101 H212 PPG 103 -2.308 -0.665 -18.927 679 HCI1 PGM 101 H221 PPG 103 -2.609 -0.363 -16.678 680 HCI2 PGM 101 H222 PPG 103 -2.575 -1.997 -16.779 681 HCJ1 PGM 101 H231 PPG 103 -5.090 -1.681 -17.085 682 HCJ2 PGM 101 H232 PPG 103 -4.796 -0.306 -16.247 683 HCK1 PGM 101 H241 PPG 103 -3.962 -1.556 -14.428 684 HCK2 PGM 101 H242 PPG 103 -4.148 -2.946 -15.263 685 HCL1 PGM 101 H251 PPG 103 -6.481 -2.783 -15.185 686 HCL2 PGM 101 H252 PPG 103 -6.419 -1.232 -14.669 687 HCM1 PGM 101 H261 PPG 103 -6.659 -2.399 -12.660 688 HCM2 PGM 101 H262 PPG 103 -5.042 -2.208 -12.736 689 HCN1 PGM 101 H271 PPG 103 -4.988 -4.330 -14.014 690 HCN2 PGM 101 H272 PPG 103 -6.535 -4.554 -13.557 691 HCO1 PGM 101 H281 PPG 103 -6.002 -4.880 -11.421 692 HCO2 PGM 101 H282 PPG 103 -4.721 -3.861 -11.489 693 HCP1 PGM 101 H291 PPG 103 -4.011 -6.024 -10.922 694 HCP2 PGM 101 H292 PPG 103 -4.664 -6.611 -12.299 695 HCP3 PGM 101 H293 PPG 103 -3.390 -5.599 -12.376 Start of MODEL 14 1 H ALA 1 H ALA 1 3.203 -0.873 1.131 2 HA ALA 1 HA ALA 1 2.086 -0.143 -1.486 3 HB1 ALA 1 HB1 ALA 1 4.919 0.198 -0.514 4 HB2 ALA 1 HB2 ALA 1 4.208 0.867 -1.984 5 HB3 ALA 1 HB3 ALA 1 3.668 1.436 -0.404 6 H ILE 2 H ILE 2 2.197 -1.518 -3.135 7 HA ILE 2 HA ILE 2 3.493 -4.071 -2.794 8 HB ILE 2 HB ILE 2 2.508 -4.680 -4.920 9 HG12 ILE 2 HG12 ILE 2 1.652 -1.784 -5.106 10 HG13 ILE 2 HG13 ILE 2 2.877 -2.559 -6.104 11 HG21 ILE 2 HG21 ILE 2 0.483 -4.961 -4.017 12 HG22 ILE 2 HG22 ILE 2 1.124 -4.069 -2.638 13 HG23 ILE 2 HG23 ILE 2 0.202 -3.225 -3.883 14 HD11 ILE 2 HD11 ILE 2 -0.052 -3.245 -6.042 15 HD12 ILE 2 HD12 ILE 2 0.787 -2.343 -7.305 16 HD13 ILE 2 HD13 ILE 2 1.171 -4.042 -7.031 17 H SER 3 H SER 3 4.673 -4.955 -4.826 18 HA SER 3 HA SER 3 6.822 -3.054 -5.433 19 HB2 SER 3 HB2 SER 3 6.662 -6.029 -5.221 20 HB3 SER 3 HB3 SER 3 7.874 -5.333 -6.297 21 HG SER 3 HG SER 3 7.643 -5.154 -3.511 22 H CYS 4 H CYS 4 6.704 -2.046 -7.316 23 HA CYS 4 HA CYS 4 4.961 -2.574 -9.388 24 HB2 CYS 4 HB2 CYS 4 6.476 -0.518 -8.960 25 HB3 CYS 4 HB3 CYS 4 7.677 -1.391 -9.907 26 H GLY 5 H GLY 5 8.099 -3.973 -8.740 27 HA2 GLY 5 HA2 GLY 5 8.599 -5.095 -11.276 28 HA3 GLY 5 HA3 GLY 5 9.264 -5.669 -9.754 29 H ALA 6 H ALA 6 6.635 -6.189 -8.586 30 HA ALA 6 HA ALA 6 6.237 -8.814 -9.743 31 HB1 ALA 6 HB1 ALA 6 4.689 -7.670 -7.440 32 HB2 ALA 6 HB2 ALA 6 5.052 -9.359 -7.798 33 HB3 ALA 6 HB3 ALA 6 6.333 -8.279 -7.248 34 H VAL 7 H VAL 7 4.870 -5.734 -10.079 35 HA VAL 7 HA VAL 7 2.170 -6.490 -10.610 36 HB VAL 7 HB VAL 7 3.633 -4.002 -11.503 37 HG11 VAL 7 HG11 VAL 7 1.154 -4.922 -12.277 38 HG12 VAL 7 HG12 VAL 7 0.781 -3.805 -10.962 39 HG13 VAL 7 HG13 VAL 7 1.711 -3.250 -12.355 40 HG21 VAL 7 HG21 VAL 7 2.995 -2.955 -9.511 41 HG22 VAL 7 HG22 VAL 7 1.839 -4.224 -9.107 42 HG23 VAL 7 HG23 VAL 7 3.570 -4.541 -8.997 43 H THR 8 H THR 8 4.910 -5.611 -12.707 44 HA THR 8 HA THR 8 3.485 -6.217 -15.116 45 HB THR 8 HB THR 8 5.546 -5.789 -16.281 46 HG1 THR 8 HG1 THR 8 7.506 -5.580 -15.150 47 HG21 THR 8 HG21 THR 8 6.149 -3.718 -14.423 48 HG22 THR 8 HG22 THR 8 4.405 -3.980 -14.411 49 HG23 THR 8 HG23 THR 8 5.231 -3.614 -15.925 50 H SER 9 H SER 9 6.014 -7.843 -13.230 51 HA SER 9 HA SER 9 6.524 -9.993 -14.893 52 HB2 SER 9 HB2 SER 9 7.530 -9.288 -12.553 53 HB3 SER 9 HB3 SER 9 6.366 -10.464 -11.943 54 HG SER 9 HG SER 9 8.703 -11.033 -12.790 55 H ASP 10 H ASP 10 3.958 -9.605 -12.489 56 HA ASP 10 HA ASP 10 2.893 -12.178 -12.573 57 HB2 ASP 10 HB2 ASP 10 1.726 -9.482 -11.958 58 HB3 ASP 10 HB3 ASP 10 0.686 -10.903 -12.012 59 H LEU 11 H LEU 11 2.754 -9.629 -14.893 60 HA LEU 11 HA LEU 11 0.662 -11.031 -16.405 61 HB2 LEU 11 HB2 LEU 11 1.734 -8.229 -16.518 62 HB3 LEU 11 HB3 LEU 11 0.752 -8.903 -17.817 63 HG LEU 11 HG LEU 11 -0.080 -8.388 -14.967 64 HD11 LEU 11 HD11 LEU 11 -0.003 -6.490 -16.621 65 HD12 LEU 11 HD12 LEU 11 -1.573 -6.797 -15.880 66 HD13 LEU 11 HD13 LEU 11 -1.255 -7.337 -17.529 67 HD21 LEU 11 HD21 LEU 11 -2.357 -9.134 -16.067 68 HD22 LEU 11 HD22 LEU 11 -1.262 -10.309 -15.336 69 HD23 LEU 11 HD23 LEU 11 -1.284 -10.092 -17.087 70 H SER 12 H SER 12 3.643 -11.641 -16.145 71 HA SER 12 HA SER 12 5.004 -11.087 -18.500 72 HB2 SER 12 HB2 SER 12 5.202 -13.123 -16.369 73 HB3 SER 12 HB3 SER 12 5.930 -13.578 -17.910 74 HG SER 12 HG SER 12 7.339 -12.425 -16.426 75 HA PRO 13 HA PRO 13 3.276 -15.176 -20.400 76 HB2 PRO 13 HB2 PRO 13 1.279 -16.433 -19.058 77 HB3 PRO 13 HB3 PRO 13 2.990 -16.771 -18.771 78 HG2 PRO 13 HG2 PRO 13 1.115 -15.032 -17.214 79 HG3 PRO 13 HG3 PRO 13 2.327 -16.184 -16.621 80 HD2 PRO 13 HD2 PRO 13 2.766 -13.513 -16.688 81 HD3 PRO 13 HD3 PRO 13 4.066 -14.701 -16.918 82 H CYS 14 H CYS 14 1.360 -12.740 -18.935 83 HA CYS 14 HA CYS 14 -0.943 -13.185 -20.648 84 HB2 CYS 14 HB2 CYS 14 -0.356 -10.968 -18.674 85 HB3 CYS 14 HB3 CYS 14 -1.888 -11.214 -19.506 86 H LEU 15 H LEU 15 1.890 -11.170 -20.500 87 HA LEU 15 HA LEU 15 1.298 -9.011 -22.043 88 HB2 LEU 15 HB2 LEU 15 3.543 -9.823 -21.034 89 HB3 LEU 15 HB3 LEU 15 3.788 -10.571 -22.610 90 HG LEU 15 HG LEU 15 3.679 -8.387 -23.682 91 HD11 LEU 15 HD11 LEU 15 2.482 -6.817 -22.648 92 HD12 LEU 15 HD12 LEU 15 3.921 -6.530 -21.671 93 HD13 LEU 15 HD13 LEU 15 2.651 -7.599 -21.077 94 HD21 LEU 15 HD21 LEU 15 5.683 -7.351 -22.344 95 HD22 LEU 15 HD22 LEU 15 5.875 -8.867 -23.225 96 HD23 LEU 15 HD23 LEU 15 5.622 -8.887 -21.479 97 H THR 16 H THR 16 1.934 -12.297 -23.177 98 HA THR 16 HA THR 16 2.028 -11.844 -25.913 99 HB THR 16 HB THR 16 0.882 -14.233 -24.455 100 HG1 THR 16 HG1 THR 16 3.469 -13.577 -25.436 101 HG21 THR 16 HG21 THR 16 0.887 -13.593 -27.243 102 HG22 THR 16 HG22 THR 16 0.292 -15.047 -26.442 103 HG23 THR 16 HG23 THR 16 1.975 -14.951 -26.959 104 H TYR 17 H TYR 17 -0.839 -13.020 -24.138 105 HA TYR 17 HA TYR 17 -2.641 -12.572 -26.243 106 HB2 TYR 17 HB2 TYR 17 -3.290 -14.073 -24.513 107 HB3 TYR 17 HB3 TYR 17 -3.043 -12.855 -23.266 108 HD1 TYR 17 HD1 TYR 17 -4.907 -11.802 -22.407 109 HD2 TYR 17 HD2 TYR 17 -5.087 -13.385 -26.352 110 HE1 TYR 17 HE1 TYR 17 -7.281 -11.174 -22.543 111 HE2 TYR 17 HE2 TYR 17 -7.462 -12.761 -26.500 112 HH TYR 17 HH TYR 17 -9.218 -11.930 -25.422 113 H LEU 18 H LEU 18 -1.461 -10.493 -23.692 114 HA LEU 18 HA LEU 18 -3.419 -8.446 -24.025 115 HB2 LEU 18 HB2 LEU 18 -0.689 -8.458 -22.757 116 HB3 LEU 18 HB3 LEU 18 -1.756 -7.055 -22.750 117 HG LEU 18 HG LEU 18 -2.241 -9.713 -21.410 118 HD11 LEU 18 HD11 LEU 18 -2.201 -8.369 -19.362 119 HD12 LEU 18 HD12 LEU 18 -1.809 -6.938 -20.314 120 HD13 LEU 18 HD13 LEU 18 -0.670 -8.281 -20.234 121 HD21 LEU 18 HD21 LEU 18 -4.413 -9.276 -21.600 122 HD22 LEU 18 HD22 LEU 18 -4.100 -7.694 -22.314 123 HD23 LEU 18 HD23 LEU 18 -4.149 -7.876 -20.560 124 H THR 19 H THR 19 -0.556 -9.329 -25.704 125 HA THR 19 HA THR 19 -0.355 -6.711 -27.002 126 HB THR 19 HB THR 19 1.695 -7.677 -28.080 127 HG1 THR 19 HG1 THR 19 1.964 -9.760 -27.894 128 HG21 THR 19 HG21 THR 19 2.731 -6.657 -26.393 129 HG22 THR 19 HG22 THR 19 2.533 -8.101 -25.399 130 HG23 THR 19 HG23 THR 19 1.295 -6.845 -25.387 131 H GLY 20 H GLY 20 -2.549 -8.693 -27.463 132 HA2 GLY 20 HA2 GLY 20 -3.842 -8.917 -29.417 133 HA3 GLY 20 HA3 GLY 20 -2.400 -8.628 -30.378 134 H GLY 21 H GLY 21 -1.228 -10.738 -28.313 135 HA2 GLY 21 HA2 GLY 21 -1.283 -12.909 -30.130 136 HA3 GLY 21 HA3 GLY 21 -0.665 -12.958 -28.485 137 HA PRO 22 HA PRO 22 -4.623 -15.481 -28.923 138 HB2 PRO 22 HB2 PRO 22 -3.521 -17.897 -28.355 139 HB3 PRO 22 HB3 PRO 22 -3.630 -17.253 -29.997 140 HG2 PRO 22 HG2 PRO 22 -1.302 -17.259 -28.115 141 HG3 PRO 22 HG3 PRO 22 -1.337 -17.611 -29.853 142 HD2 PRO 22 HD2 PRO 22 -0.533 -15.221 -28.867 143 HD3 PRO 22 HD3 PRO 22 -1.354 -15.381 -30.432 144 H GLY 23 H GLY 23 -5.831 -16.249 -27.189 145 HA2 GLY 23 HA2 GLY 23 -5.312 -17.262 -24.814 146 HA3 GLY 23 HA3 GLY 23 -4.703 -15.633 -24.561 147 HA PRO 24 HA PRO 24 -5.122 -15.010 -22.725 148 HB2 PRO 24 HB2 PRO 24 -6.353 -15.400 -20.336 149 HB3 PRO 24 HB3 PRO 24 -6.382 -13.853 -21.191 150 HG2 PRO 24 HG2 PRO 24 -8.466 -16.000 -21.087 151 HG3 PRO 24 HG3 PRO 24 -8.665 -14.241 -20.976 152 HD2 PRO 24 HD2 PRO 24 -9.140 -15.621 -23.258 153 HD3 PRO 24 HD3 PRO 24 -8.524 -13.956 -23.259 154 H SER 25 H SER 25 -3.708 -16.594 -22.363 155 HA SER 25 HA SER 25 -4.407 -19.328 -22.533 156 HB2 SER 25 HB2 SER 25 -2.148 -19.742 -22.517 157 HB3 SER 25 HB3 SER 25 -2.110 -18.026 -22.921 158 HG SER 25 HG SER 25 -0.871 -17.933 -21.217 159 HA PRO 26 HA PRO 26 -5.289 -20.547 -18.414 160 HB2 PRO 26 HB2 PRO 26 -3.948 -22.895 -18.168 161 HB3 PRO 26 HB3 PRO 26 -5.397 -22.715 -19.165 162 HG2 PRO 26 HG2 PRO 26 -2.519 -22.712 -19.988 163 HG3 PRO 26 HG3 PRO 26 -3.902 -23.508 -20.760 164 HD2 PRO 26 HD2 PRO 26 -2.874 -21.172 -21.665 165 HD3 PRO 26 HD3 PRO 26 -4.599 -21.570 -21.797 166 H GLN 27 H GLN 27 -1.886 -20.490 -19.304 167 HA GLN 27 HA GLN 27 -0.929 -20.589 -16.602 168 HB2 GLN 27 HB2 GLN 27 0.514 -19.733 -19.117 169 HB3 GLN 27 HB3 GLN 27 1.264 -20.130 -17.576 170 HG2 GLN 27 HG2 GLN 27 0.559 -22.423 -17.771 171 HG3 GLN 27 HG3 GLN 27 -0.336 -22.056 -19.244 172 HE21 GLN 27 HE21 GLN 27 0.858 -21.455 -21.125 173 HE22 GLN 27 HE22 GLN 27 2.486 -21.994 -21.333 174 H CYS 28 H CYS 28 -1.883 -18.102 -18.835 175 HA CYS 28 HA CYS 28 -0.611 -15.935 -17.482 176 HB2 CYS 28 HB2 CYS 28 -1.082 -15.328 -19.644 177 HB3 CYS 28 HB3 CYS 28 -2.597 -16.223 -19.679 178 H CYS 29 H CYS 29 -3.973 -17.100 -17.603 179 HA CYS 29 HA CYS 29 -5.168 -15.276 -15.928 180 HB2 CYS 29 HB2 CYS 29 -5.680 -18.199 -16.405 181 HB3 CYS 29 HB3 CYS 29 -6.656 -17.292 -15.254 182 H GLY 30 H GLY 30 -3.174 -18.045 -15.080 183 HA2 GLY 30 HA2 GLY 30 -3.696 -18.239 -12.360 184 HA3 GLY 30 HA3 GLY 30 -2.152 -18.620 -13.107 185 H GLY 31 H GLY 31 -1.440 -16.071 -14.032 186 HA2 GLY 31 HA2 GLY 31 -0.428 -14.945 -11.596 187 HA3 GLY 31 HA3 GLY 31 -0.142 -14.341 -13.221 188 H VAL 32 H VAL 32 -2.809 -13.925 -14.009 189 HA VAL 32 HA VAL 32 -3.285 -11.339 -13.192 190 HB VAL 32 HB VAL 32 -5.345 -13.341 -14.130 191 HG11 VAL 32 HG11 VAL 32 -6.661 -11.407 -14.805 192 HG12 VAL 32 HG12 VAL 32 -6.352 -11.372 -13.068 193 HG13 VAL 32 HG13 VAL 32 -5.433 -10.325 -14.149 194 HG21 VAL 32 HG21 VAL 32 -4.870 -12.687 -16.327 195 HG22 VAL 32 HG22 VAL 32 -3.963 -11.267 -15.805 196 HG23 VAL 32 HG23 VAL 32 -3.284 -12.880 -15.579 197 H LYS 33 H LYS 33 -4.663 -14.329 -11.878 198 HA LYS 33 HA LYS 33 -6.396 -13.097 -10.022 199 HB2 LYS 33 HB2 LYS 33 -5.110 -15.833 -9.956 200 HB3 LYS 33 HB3 LYS 33 -6.428 -15.317 -8.912 201 HG2 LYS 33 HG2 LYS 33 -7.979 -15.467 -10.559 202 HG3 LYS 33 HG3 LYS 33 -6.831 -15.044 -11.832 203 HD2 LYS 33 HD2 LYS 33 -5.835 -17.264 -11.688 204 HD3 LYS 33 HD3 LYS 33 -6.940 -17.689 -10.379 205 HE2 LYS 33 HE2 LYS 33 -8.674 -16.850 -12.298 206 HE3 LYS 33 HE3 LYS 33 -7.394 -17.563 -13.279 207 HZ1 LYS 33 HZ1 LYS 33 -9.113 -19.174 -12.689 208 HZ2 LYS 33 HZ2 LYS 33 -8.795 -18.930 -11.045 209 HZ3 LYS 33 HZ3 LYS 33 -7.611 -19.611 -12.043 210 H LYS 34 H LYS 34 -3.066 -14.267 -9.758 211 HA LYS 34 HA LYS 34 -2.759 -13.816 -6.994 212 HB2 LYS 34 HB2 LYS 34 -1.187 -15.218 -8.144 213 HB3 LYS 34 HB3 LYS 34 -0.747 -13.918 -9.243 214 HG2 LYS 34 HG2 LYS 34 0.544 -12.843 -7.677 215 HG3 LYS 34 HG3 LYS 34 -0.326 -13.554 -6.315 216 HD2 LYS 34 HD2 LYS 34 0.749 -15.644 -6.602 217 HD3 LYS 34 HD3 LYS 34 1.380 -15.184 -8.184 218 HE2 LYS 34 HE2 LYS 34 3.136 -15.106 -6.505 219 HE3 LYS 34 HE3 LYS 34 2.794 -13.490 -7.119 220 HZ1 LYS 34 HZ1 LYS 34 3.006 -13.977 -4.559 221 HZ2 LYS 34 HZ2 LYS 34 1.368 -14.366 -4.722 222 HZ3 LYS 34 HZ3 LYS 34 1.917 -12.824 -5.148 223 H LEU 35 H LEU 35 -2.242 -11.749 -9.806 224 HA LEU 35 HA LEU 35 -1.022 -9.604 -8.428 225 HB2 LEU 35 HB2 LEU 35 -0.735 -9.606 -10.742 226 HB3 LEU 35 HB3 LEU 35 -2.451 -9.866 -11.047 227 HG LEU 35 HG LEU 35 -2.951 -7.581 -10.486 228 HD11 LEU 35 HD11 LEU 35 -0.414 -7.712 -9.152 229 HD12 LEU 35 HD12 LEU 35 -1.691 -6.504 -9.015 230 HD13 LEU 35 HD13 LEU 35 -0.452 -6.340 -10.260 231 HD21 LEU 35 HD21 LEU 35 -1.104 -6.519 -12.136 232 HD22 LEU 35 HD22 LEU 35 -2.494 -7.453 -12.690 233 HD23 LEU 35 HD23 LEU 35 -0.920 -8.230 -12.519 234 H LEU 36 H LEU 36 -4.382 -10.063 -9.528 235 HA LEU 36 HA LEU 36 -5.377 -7.707 -8.332 236 HB2 LEU 36 HB2 LEU 36 -6.734 -10.255 -9.185 237 HB3 LEU 36 HB3 LEU 36 -7.607 -8.845 -8.588 238 HG LEU 36 HG LEU 36 -5.822 -8.774 -11.014 239 HD11 LEU 36 HD11 LEU 36 -7.583 -9.279 -12.397 240 HD12 LEU 36 HD12 LEU 36 -8.797 -8.850 -11.193 241 HD13 LEU 36 HD13 LEU 36 -7.900 -10.361 -11.041 242 HD21 LEU 36 HD21 LEU 36 -8.049 -6.936 -10.151 243 HD22 LEU 36 HD22 LEU 36 -6.929 -6.708 -11.494 244 HD23 LEU 36 HD23 LEU 36 -6.340 -6.639 -9.833 245 H ALA 37 H ALA 37 -4.980 -10.994 -7.168 246 HA ALA 37 HA ALA 37 -6.544 -10.767 -4.831 247 HB1 ALA 37 HB1 ALA 37 -4.193 -12.559 -5.427 248 HB2 ALA 37 HB2 ALA 37 -5.277 -12.737 -4.046 249 HB3 ALA 37 HB3 ALA 37 -5.898 -12.930 -5.686 250 H ALA 38 H ALA 38 -3.388 -9.626 -5.644 251 HA ALA 38 HA ALA 38 -2.558 -9.253 -2.895 252 HB1 ALA 38 HB1 ALA 38 -0.558 -8.213 -3.878 253 HB2 ALA 38 HB2 ALA 38 -0.878 -9.813 -4.547 254 HB3 ALA 38 HB3 ALA 38 -1.279 -8.371 -5.479 255 H ALA 39 H ALA 39 -3.829 -7.317 -5.543 256 HA ALA 39 HA ALA 39 -3.495 -4.816 -4.165 257 HB1 ALA 39 HB1 ALA 39 -5.171 -5.434 -6.595 258 HB2 ALA 39 HB2 ALA 39 -4.672 -3.837 -6.035 259 HB3 ALA 39 HB3 ALA 39 -3.466 -4.981 -6.626 260 H ASN 40 H ASN 40 -4.605 -5.717 -2.189 261 HA ASN 40 HA ASN 40 -7.527 -5.667 -2.398 262 HB2 ASN 40 HB2 ASN 40 -6.464 -7.570 -1.210 263 HB3 ASN 40 HB3 ASN 40 -5.788 -6.437 -0.043 264 HD21 ASN 40 HD21 ASN 40 -6.898 -7.568 1.600 265 HD22 ASN 40 HD22 ASN 40 -8.588 -7.323 1.860 266 H THR 41 H THR 41 -4.944 -3.661 -1.613 267 HA THR 41 HA THR 41 -6.582 -1.984 0.159 268 HB THR 41 HB THR 41 -4.144 -0.760 0.117 269 HG1 THR 41 HG1 THR 41 -3.440 -3.474 0.323 270 HG21 THR 41 HG21 THR 41 -5.588 -2.575 1.905 271 HG22 THR 41 HG22 THR 41 -4.788 -1.042 2.252 272 HG23 THR 41 HG23 THR 41 -3.847 -2.532 2.182 273 H THR 42 H THR 42 -6.285 0.413 -0.151 274 HA THR 42 HA THR 42 -7.076 1.127 -2.776 275 HB THR 42 HB THR 42 -6.434 2.702 -0.304 276 HG1 THR 42 HG1 THR 42 -8.623 3.133 -0.416 277 HG21 THR 42 HG21 THR 42 -7.395 4.645 -1.843 278 HG22 THR 42 HG22 THR 42 -6.590 3.702 -3.098 279 HG23 THR 42 HG23 THR 42 -5.667 4.316 -1.728 280 HA PRO 43 HA PRO 43 -2.721 3.237 -3.019 281 HB2 PRO 43 HB2 PRO 43 -0.879 2.441 -1.191 282 HB3 PRO 43 HB3 PRO 43 -1.970 3.806 -0.924 283 HG2 PRO 43 HG2 PRO 43 -2.185 0.987 0.062 284 HG3 PRO 43 HG3 PRO 43 -2.489 2.503 0.931 285 HD2 PRO 43 HD2 PRO 43 -4.485 0.982 -0.087 286 HD3 PRO 43 HD3 PRO 43 -4.591 2.751 0.020 287 H ASP 44 H ASP 44 -3.418 -0.040 -2.499 288 HA ASP 44 HA ASP 44 -0.953 -1.040 -3.666 289 HB2 ASP 44 HB2 ASP 44 -3.345 -2.239 -2.374 290 HB3 ASP 44 HB3 ASP 44 -2.505 -3.226 -3.566 291 H ARG 45 H ARG 45 -4.331 -0.593 -4.559 292 HA ARG 45 HA ARG 45 -4.070 -1.893 -7.100 293 HB2 ARG 45 HB2 ARG 45 -6.226 0.059 -6.302 294 HB3 ARG 45 HB3 ARG 45 -6.320 -1.225 -7.500 295 HG2 ARG 45 HG2 ARG 45 -5.644 -2.429 -5.038 296 HG3 ARG 45 HG3 ARG 45 -6.972 -1.307 -4.734 297 HD2 ARG 45 HD2 ARG 45 -6.891 -3.566 -6.725 298 HD3 ARG 45 HD3 ARG 45 -7.909 -3.435 -5.292 299 HE ARG 45 HE ARG 45 -8.486 -1.246 -6.891 300 HH11 ARG 45 HH11 ARG 45 -8.704 -4.715 -7.087 301 HH12 ARG 45 HH12 ARG 45 -10.073 -4.700 -8.148 302 HH21 ARG 45 HH21 ARG 45 -10.289 -1.213 -8.288 303 HH22 ARG 45 HH22 ARG 45 -10.973 -2.707 -8.831 304 H GLN 46 H GLN 46 -4.092 1.461 -5.973 305 HA GLN 46 HA GLN 46 -4.108 2.771 -8.417 306 HB2 GLN 46 HB2 GLN 46 -2.639 3.567 -5.898 307 HB3 GLN 46 HB3 GLN 46 -3.005 4.638 -7.243 308 HG2 GLN 46 HG2 GLN 46 -5.298 4.612 -6.792 309 HG3 GLN 46 HG3 GLN 46 -5.165 3.191 -5.758 310 HE21 GLN 46 HE21 GLN 46 -6.404 5.678 -5.105 311 HE22 GLN 46 HE22 GLN 46 -5.549 6.339 -3.758 312 H ALA 47 H ALA 47 -1.297 1.679 -6.527 313 HA ALA 47 HA ALA 47 0.651 2.518 -8.385 314 HB1 ALA 47 HB1 ALA 47 1.556 2.126 -6.315 315 HB2 ALA 47 HB2 ALA 47 0.623 0.650 -6.064 316 HB3 ALA 47 HB3 ALA 47 2.010 0.642 -7.154 317 H ALA 48 H ALA 48 -0.980 -0.595 -7.908 318 HA ALA 48 HA ALA 48 0.411 -2.164 -9.700 319 HB1 ALA 48 HB1 ALA 48 -1.341 -2.994 -8.184 320 HB2 ALA 48 HB2 ALA 48 -2.564 -2.243 -9.211 321 HB3 ALA 48 HB3 ALA 48 -1.567 -3.554 -9.842 322 H CYS 49 H CYS 49 -2.503 -0.224 -10.385 323 HA CYS 49 HA CYS 49 -2.517 -0.747 -13.160 324 HB2 CYS 49 HB2 CYS 49 -4.504 0.046 -11.960 325 HB3 CYS 49 HB3 CYS 49 -3.705 1.581 -11.635 326 H ASN 50 H ASN 50 -1.543 2.196 -11.391 327 HA ASN 50 HA ASN 50 -0.595 3.682 -13.502 328 HB2 ASN 50 HB2 ASN 50 0.527 3.530 -10.696 329 HB3 ASN 50 HB3 ASN 50 0.879 4.810 -11.853 330 HD21 ASN 50 HD21 ASN 50 -0.349 5.004 -9.242 331 HD22 ASN 50 HD22 ASN 50 -1.907 5.710 -9.485 332 H CYS 51 H CYS 51 0.864 0.929 -11.951 333 HA CYS 51 HA CYS 51 3.491 1.305 -12.992 334 HB2 CYS 51 HB2 CYS 51 2.029 -0.873 -11.588 335 HB3 CYS 51 HB3 CYS 51 3.462 -1.326 -12.504 336 H LEU 52 H LEU 52 0.867 -0.940 -13.886 337 HA LEU 52 HA LEU 52 2.153 -1.930 -16.196 338 HB2 LEU 52 HB2 LEU 52 -0.729 -1.881 -15.340 339 HB3 LEU 52 HB3 LEU 52 -0.190 -2.653 -16.830 340 HG LEU 52 HG LEU 52 0.736 -3.426 -14.064 341 HD11 LEU 52 HD11 LEU 52 -1.599 -3.940 -14.264 342 HD12 LEU 52 HD12 LEU 52 -0.675 -5.433 -14.429 343 HD13 LEU 52 HD13 LEU 52 -1.351 -4.652 -15.859 344 HD21 LEU 52 HD21 LEU 52 2.328 -3.898 -15.887 345 HD22 LEU 52 HD22 LEU 52 1.073 -4.814 -16.721 346 HD23 LEU 52 HD23 LEU 52 1.677 -5.366 -15.158 347 H LYS 53 H LYS 53 -0.421 0.497 -15.803 348 HA LYS 53 HA LYS 53 -0.897 1.165 -18.414 349 HB2 LYS 53 HB2 LYS 53 -1.322 2.374 -15.855 350 HB3 LYS 53 HB3 LYS 53 -0.789 3.614 -16.983 351 HG2 LYS 53 HG2 LYS 53 -2.596 3.156 -18.463 352 HG3 LYS 53 HG3 LYS 53 -3.052 1.716 -17.550 353 HD2 LYS 53 HD2 LYS 53 -4.587 3.266 -16.789 354 HD3 LYS 53 HD3 LYS 53 -3.316 3.388 -15.569 355 HE2 LYS 53 HE2 LYS 53 -3.128 5.154 -17.949 356 HE3 LYS 53 HE3 LYS 53 -4.364 5.527 -16.749 357 HZ1 LYS 53 HZ1 LYS 53 -2.812 6.452 -15.497 358 HZ2 LYS 53 HZ2 LYS 53 -1.624 6.083 -16.642 359 HZ3 LYS 53 HZ3 LYS 53 -1.973 4.985 -15.403 360 H SER 54 H SER 54 1.518 2.750 -16.319 361 HA SER 54 HA SER 54 2.654 4.404 -18.232 362 HB2 SER 54 HB2 SER 54 3.197 4.670 -15.891 363 HB3 SER 54 HB3 SER 54 3.940 3.072 -15.838 364 HG SER 54 HG SER 54 5.640 3.803 -16.972 365 H ALA 55 H ALA 55 3.572 1.092 -17.336 366 HA ALA 55 HA ALA 55 5.737 0.874 -19.133 367 HB1 ALA 55 HB1 ALA 55 5.473 -1.578 -18.787 368 HB2 ALA 55 HB2 ALA 55 5.565 -0.648 -17.291 369 HB3 ALA 55 HB3 ALA 55 4.007 -1.243 -17.865 370 H ALA 56 H ALA 56 2.321 0.676 -19.572 371 HA ALA 56 HA ALA 56 2.375 -0.840 -22.002 372 HB1 ALA 56 HB1 ALA 56 0.380 0.269 -20.257 373 HB2 ALA 56 HB2 ALA 56 0.005 0.649 -21.938 374 HB3 ALA 56 HB3 ALA 56 0.235 -1.028 -21.443 375 H GLY 57 H GLY 57 2.484 2.564 -21.158 376 HA2 GLY 57 HA2 GLY 57 1.878 3.693 -23.641 377 HA3 GLY 57 HA3 GLY 57 2.903 4.433 -22.421 378 H SER 58 H SER 58 4.720 2.018 -22.598 379 HA SER 58 HA SER 58 6.314 3.047 -24.809 380 HB2 SER 58 HB2 SER 58 8.175 2.097 -23.768 381 HB3 SER 58 HB3 SER 58 7.159 2.533 -22.395 382 HG SER 58 HG SER 58 7.549 -0.018 -23.553 383 H ILE 59 H ILE 59 3.943 0.879 -24.612 384 HA ILE 59 HA ILE 59 5.228 -1.098 -26.370 385 HB ILE 59 HB ILE 59 2.500 -1.404 -25.145 386 HG12 ILE 59 HG12 ILE 59 5.159 -2.190 -23.935 387 HG13 ILE 59 HG13 ILE 59 4.047 -0.980 -23.304 388 HG21 ILE 59 HG21 ILE 59 2.513 -3.372 -26.171 389 HG22 ILE 59 HG22 ILE 59 4.029 -2.916 -26.947 390 HG23 ILE 59 HG23 ILE 59 4.050 -3.798 -25.420 391 HD11 ILE 59 HD11 ILE 59 2.468 -3.205 -23.462 392 HD12 ILE 59 HD12 ILE 59 4.035 -3.872 -23.004 393 HD13 ILE 59 HD13 ILE 59 3.285 -2.621 -22.013 394 H THR 60 H THR 60 4.570 -1.386 -28.431 395 HA THR 60 HA THR 60 2.562 0.493 -29.454 396 HB THR 60 HB THR 60 4.915 0.416 -30.434 397 HG1 THR 60 HG1 THR 60 3.074 1.339 -31.519 398 HG21 THR 60 HG21 THR 60 4.846 -2.162 -30.477 399 HG22 THR 60 HG22 THR 60 5.554 -1.324 -31.858 400 HG23 THR 60 HG23 THR 60 3.915 -1.966 -31.961 401 H LYS 61 H LYS 61 3.283 -2.897 -29.122 402 HA LYS 61 HA LYS 61 1.056 -3.673 -30.833 403 HB2 LYS 61 HB2 LYS 61 2.986 -5.378 -29.247 404 HB3 LYS 61 HB3 LYS 61 1.801 -5.974 -30.402 405 HG2 LYS 61 HG2 LYS 61 3.049 -4.366 -32.048 406 HG3 LYS 61 HG3 LYS 61 4.363 -4.536 -30.881 407 HD2 LYS 61 HD2 LYS 61 4.560 -6.827 -31.254 408 HD3 LYS 61 HD3 LYS 61 2.942 -6.950 -31.949 409 HE2 LYS 61 HE2 LYS 61 3.917 -5.367 -33.778 410 HE3 LYS 61 HE3 LYS 61 5.473 -5.948 -33.187 411 HZ1 LYS 61 HZ1 LYS 61 3.262 -7.665 -34.180 412 HZ2 LYS 61 HZ2 LYS 61 4.769 -8.208 -33.638 413 HZ3 LYS 61 HZ3 LYS 61 4.663 -7.272 -35.043 414 H LEU 62 H LEU 62 1.010 -2.361 -28.003 415 HA LEU 62 HA LEU 62 -0.225 -4.212 -26.264 416 HB2 LEU 62 HB2 LEU 62 0.733 -2.201 -25.389 417 HB3 LEU 62 HB3 LEU 62 -0.320 -1.205 -26.392 418 HG LEU 62 HG LEU 62 -2.241 -2.282 -25.034 419 HD11 LEU 62 HD11 LEU 62 -1.622 -3.801 -23.537 420 HD12 LEU 62 HD12 LEU 62 -0.895 -2.487 -22.612 421 HD13 LEU 62 HD13 LEU 62 0.085 -3.412 -23.750 422 HD21 LEU 62 HD21 LEU 62 -0.330 -0.301 -23.800 423 HD22 LEU 62 HD22 LEU 62 -1.999 -0.562 -23.291 424 HD23 LEU 62 HD23 LEU 62 -1.656 0.066 -24.904 425 H ASN 63 H ASN 63 -2.186 -5.075 -26.325 426 HA ASN 63 HA ASN 63 -4.208 -3.842 -28.065 427 HB2 ASN 63 HB2 ASN 63 -3.823 -6.678 -27.107 428 HB3 ASN 63 HB3 ASN 63 -5.309 -6.136 -27.881 429 HD21 ASN 63 HD21 ASN 63 -5.407 -6.554 -29.953 430 HD22 ASN 63 HD22 ASN 63 -4.071 -6.649 -31.044 431 H THR 64 H THR 64 -5.037 -2.334 -26.619 432 HA THR 64 HA THR 64 -5.693 -2.680 -23.964 433 HB THR 64 HB THR 64 -7.259 -0.849 -24.189 434 HG1 THR 64 HG1 THR 64 -7.765 -0.089 -26.341 435 HG21 THR 64 HG21 THR 64 -5.052 -0.315 -26.166 436 HG22 THR 64 HG22 THR 64 -4.759 -0.462 -24.433 437 HG23 THR 64 HG23 THR 64 -5.811 0.814 -25.045 438 H ASN 65 H ASN 65 -7.333 -3.870 -26.790 439 HA ASN 65 HA ASN 65 -9.851 -4.402 -25.639 440 HB2 ASN 65 HB2 ASN 65 -8.382 -5.297 -28.065 441 HB3 ASN 65 HB3 ASN 65 -9.741 -6.286 -27.539 442 HD21 ASN 65 HD21 ASN 65 -8.848 -2.930 -28.217 443 HD22 ASN 65 HD22 ASN 65 -10.382 -2.471 -28.866 444 H ASN 66 H ASN 66 -6.911 -6.352 -25.925 445 HA ASN 66 HA ASN 66 -8.073 -8.657 -24.682 446 HB2 ASN 66 HB2 ASN 66 -5.227 -7.901 -25.350 447 HB3 ASN 66 HB3 ASN 66 -5.655 -9.425 -24.578 448 HD21 ASN 66 HD21 ASN 66 -4.642 -8.438 -27.337 449 HD22 ASN 66 HD22 ASN 66 -5.586 -9.371 -28.443 450 H ALA 67 H ALA 67 -6.652 -5.748 -23.564 451 HA ALA 67 HA ALA 67 -5.753 -6.714 -21.025 452 HB1 ALA 67 HB1 ALA 67 -5.934 -4.125 -20.542 453 HB2 ALA 67 HB2 ALA 67 -4.648 -4.787 -21.553 454 HB3 ALA 67 HB3 ALA 67 -6.064 -4.047 -22.300 455 H ALA 68 H ALA 68 -8.701 -5.202 -22.232 456 HA ALA 68 HA ALA 68 -9.902 -4.931 -19.646 457 HB1 ALA 68 HB1 ALA 68 -10.554 -4.217 -22.369 458 HB2 ALA 68 HB2 ALA 68 -11.951 -4.883 -21.523 459 HB3 ALA 68 HB3 ALA 68 -11.095 -3.494 -20.853 460 H ALA 69 H ALA 69 -10.061 -7.287 -22.265 461 HA ALA 69 HA ALA 69 -12.078 -8.861 -20.901 462 HB1 ALA 69 HB1 ALA 69 -11.727 -10.429 -22.839 463 HB2 ALA 69 HB2 ALA 69 -12.277 -8.807 -23.263 464 HB3 ALA 69 HB3 ALA 69 -10.584 -9.250 -23.484 465 H LEU 70 H LEU 70 -8.739 -8.543 -20.755 466 HA LEU 70 HA LEU 70 -7.795 -11.140 -20.476 467 HB2 LEU 70 HB2 LEU 70 -6.085 -9.641 -20.488 468 HB3 LEU 70 HB3 LEU 70 -6.958 -8.473 -19.499 469 HG LEU 70 HG LEU 70 -6.463 -9.800 -17.500 470 HD11 LEU 70 HD11 LEU 70 -4.419 -11.494 -18.271 471 HD12 LEU 70 HD12 LEU 70 -5.669 -11.754 -19.487 472 HD13 LEU 70 HD13 LEU 70 -6.046 -11.967 -17.778 473 HD21 LEU 70 HD21 LEU 70 -4.325 -9.004 -17.236 474 HD22 LEU 70 HD22 LEU 70 -4.869 -8.048 -18.615 475 HD23 LEU 70 HD23 LEU 70 -3.836 -9.456 -18.869 476 HA PRO 71 HA PRO 71 -8.742 -10.905 -15.746 477 HB2 PRO 71 HB2 PRO 71 -10.262 -8.830 -14.878 478 HB3 PRO 71 HB3 PRO 71 -8.499 -8.755 -14.973 479 HG2 PRO 71 HG2 PRO 71 -10.546 -7.697 -16.884 480 HG3 PRO 71 HG3 PRO 71 -9.055 -6.932 -16.305 481 HD2 PRO 71 HD2 PRO 71 -9.231 -8.133 -18.725 482 HD3 PRO 71 HD3 PRO 71 -7.730 -8.109 -17.778 483 H GLY 72 H GLY 72 -11.161 -9.830 -18.045 484 HA2 GLY 72 HA2 GLY 72 -13.422 -10.818 -16.610 485 HA3 GLY 72 HA3 GLY 72 -13.386 -10.368 -18.309 486 H LYS 73 H LYS 73 -11.592 -12.087 -19.387 487 HA LYS 73 HA LYS 73 -13.094 -14.464 -19.633 488 HB2 LYS 73 HB2 LYS 73 -10.494 -13.463 -20.672 489 HB3 LYS 73 HB3 LYS 73 -10.767 -15.199 -20.731 490 HG2 LYS 73 HG2 LYS 73 -12.491 -15.016 -22.242 491 HG3 LYS 73 HG3 LYS 73 -12.857 -13.351 -21.783 492 HD2 LYS 73 HD2 LYS 73 -10.422 -12.931 -22.720 493 HD3 LYS 73 HD3 LYS 73 -10.770 -14.406 -23.626 494 HE2 LYS 73 HE2 LYS 73 -12.641 -12.051 -23.567 495 HE3 LYS 73 HE3 LYS 73 -11.351 -12.211 -24.758 496 HZ1 LYS 73 HZ1 LYS 73 -13.488 -13.038 -25.575 497 HZ2 LYS 73 HZ2 LYS 73 -13.527 -14.187 -24.334 498 HZ3 LYS 73 HZ3 LYS 73 -12.324 -14.264 -25.520 499 H CYS 74 H CYS 74 -10.681 -13.495 -17.411 500 HA CYS 74 HA CYS 74 -10.004 -16.235 -16.670 501 HB2 CYS 74 HB2 CYS 74 -8.990 -13.559 -15.694 502 HB3 CYS 74 HB3 CYS 74 -8.464 -15.104 -15.033 503 H GLY 75 H GLY 75 -12.674 -14.793 -16.227 504 HA2 GLY 75 HA2 GLY 75 -14.306 -14.733 -14.614 505 HA3 GLY 75 HA3 GLY 75 -13.431 -16.067 -13.876 506 H VAL 76 H VAL 76 -13.294 -12.523 -14.184 507 HA VAL 76 HA VAL 76 -12.696 -12.377 -11.316 508 HB VAL 76 HB VAL 76 -11.209 -10.710 -13.344 509 HG11 VAL 76 HG11 VAL 76 -10.668 -9.487 -11.571 510 HG12 VAL 76 HG12 VAL 76 -11.530 -10.590 -10.496 511 HG13 VAL 76 HG13 VAL 76 -9.840 -10.892 -10.901 512 HG21 VAL 76 HG21 VAL 76 -10.221 -13.131 -11.840 513 HG22 VAL 76 HG22 VAL 76 -10.584 -13.075 -13.565 514 HG23 VAL 76 HG23 VAL 76 -9.265 -12.106 -12.910 515 H ASN 77 H ASN 77 -13.421 -10.514 -10.284 516 HA ASN 77 HA ASN 77 -15.455 -9.035 -11.770 517 HB2 ASN 77 HB2 ASN 77 -14.893 -9.382 -8.827 518 HB3 ASN 77 HB3 ASN 77 -16.052 -8.199 -9.427 519 HD21 ASN 77 HD21 ASN 77 -17.709 -9.112 -10.957 520 HD22 ASN 77 HD22 ASN 77 -18.381 -10.650 -10.547 521 H ILE 78 H ILE 78 -14.975 -7.123 -12.601 522 HA ILE 78 HA ILE 78 -13.337 -5.251 -11.084 523 HB ILE 78 HB ILE 78 -12.681 -5.995 -13.937 524 HG12 ILE 78 HG12 ILE 78 -11.107 -6.364 -11.379 525 HG13 ILE 78 HG13 ILE 78 -11.878 -7.646 -12.306 526 HG21 ILE 78 HG21 ILE 78 -10.704 -4.355 -12.736 527 HG22 ILE 78 HG22 ILE 78 -11.727 -4.003 -14.129 528 HG23 ILE 78 HG23 ILE 78 -12.271 -3.578 -12.506 529 HD11 ILE 78 HD11 ILE 78 -9.365 -6.193 -12.801 530 HD12 ILE 78 HD12 ILE 78 -9.800 -7.868 -13.138 531 HD13 ILE 78 HD13 ILE 78 -10.339 -6.582 -14.218 532 HA PRO 79 HA PRO 79 -17.010 -3.273 -13.051 533 HB2 PRO 79 HB2 PRO 79 -17.600 -1.733 -10.895 534 HB3 PRO 79 HB3 PRO 79 -18.165 -3.398 -11.069 535 HG2 PRO 79 HG2 PRO 79 -15.847 -2.339 -9.499 536 HG3 PRO 79 HG3 PRO 79 -17.047 -3.560 -9.037 537 HD2 PRO 79 HD2 PRO 79 -14.564 -4.212 -9.899 538 HD3 PRO 79 HD3 PRO 79 -15.982 -5.234 -10.210 539 H TYR 80 H TYR 80 -13.969 -2.307 -11.960 540 HA TYR 80 HA TYR 80 -14.246 0.519 -12.287 541 HB2 TYR 80 HB2 TYR 80 -11.952 -1.366 -11.917 542 HB3 TYR 80 HB3 TYR 80 -11.630 0.278 -12.457 543 HD1 TYR 80 HD1 TYR 80 -12.973 -1.766 -9.699 544 HD2 TYR 80 HD2 TYR 80 -11.830 2.134 -10.960 545 HE1 TYR 80 HE1 TYR 80 -13.082 -0.986 -7.369 546 HE2 TYR 80 HE2 TYR 80 -11.935 2.924 -8.634 547 HH TYR 80 HH TYR 80 -13.470 1.743 -6.359 548 H LYS 81 H LYS 81 -12.929 1.736 -13.907 549 HA LYS 81 HA LYS 81 -13.524 0.720 -16.554 550 HB2 LYS 81 HB2 LYS 81 -12.301 3.358 -15.723 551 HB3 LYS 81 HB3 LYS 81 -12.899 2.954 -17.327 552 HG2 LYS 81 HG2 LYS 81 -15.159 2.600 -16.261 553 HG3 LYS 81 HG3 LYS 81 -14.483 3.332 -14.804 554 HD2 LYS 81 HD2 LYS 81 -14.048 5.384 -15.959 555 HD3 LYS 81 HD3 LYS 81 -14.473 4.659 -17.512 556 HE2 LYS 81 HE2 LYS 81 -16.774 4.394 -16.781 557 HE3 LYS 81 HE3 LYS 81 -16.364 5.036 -15.191 558 HZ1 LYS 81 HZ1 LYS 81 -16.975 6.433 -17.600 559 HZ2 LYS 81 HZ2 LYS 81 -15.496 6.939 -16.955 560 HZ3 LYS 81 HZ3 LYS 81 -16.899 7.013 -16.012 561 H ILE 82 H ILE 82 -12.108 -0.680 -17.388 562 HA ILE 82 HA ILE 82 -9.386 -0.856 -16.704 563 HB ILE 82 HB ILE 82 -11.108 -2.046 -18.805 564 HG12 ILE 82 HG12 ILE 82 -10.701 -3.050 -16.544 565 HG13 ILE 82 HG13 ILE 82 -10.284 -4.111 -17.885 566 HG21 ILE 82 HG21 ILE 82 -8.113 -1.877 -19.014 567 HG22 ILE 82 HG22 ILE 82 -9.061 -3.127 -19.818 568 HG23 ILE 82 HG23 ILE 82 -9.318 -1.430 -20.222 569 HD11 ILE 82 HD11 ILE 82 -8.684 -3.377 -15.715 570 HD12 ILE 82 HD12 ILE 82 -8.216 -4.312 -17.136 571 HD13 ILE 82 HD13 ILE 82 -8.001 -2.561 -17.121 572 H SER 83 H SER 83 -11.075 1.098 -19.013 573 HA SER 83 HA SER 83 -9.252 1.696 -20.937 574 HB2 SER 83 HB2 SER 83 -11.571 2.701 -20.602 575 HB3 SER 83 HB3 SER 83 -10.805 3.865 -19.522 576 HG SER 83 HG SER 83 -9.748 3.469 -22.090 577 H THR 84 H THR 84 -7.261 2.497 -21.020 578 HA THR 84 HA THR 84 -5.790 3.108 -18.695 579 HB THR 84 HB THR 84 -4.111 4.069 -20.432 580 HG1 THR 84 HG1 THR 84 -5.449 4.342 -22.191 581 HG21 THR 84 HG21 THR 84 -4.183 1.413 -21.322 582 HG22 THR 84 HG22 THR 84 -4.847 1.385 -19.688 583 HG23 THR 84 HG23 THR 84 -3.246 2.065 -19.979 584 H THR 85 H THR 85 -7.947 4.982 -20.498 585 HA THR 85 HA THR 85 -6.735 7.543 -20.126 586 HB THR 85 HB THR 85 -8.942 8.456 -20.774 587 HG1 THR 85 HG1 THR 85 -10.675 7.223 -20.750 588 HG21 THR 85 HG21 THR 85 -8.957 6.638 -22.901 589 HG22 THR 85 HG22 THR 85 -7.288 6.681 -22.334 590 HG23 THR 85 HG23 THR 85 -8.094 8.173 -22.817 591 H THR 86 H THR 86 -8.569 5.440 -18.135 592 HA THR 86 HA THR 86 -9.651 7.443 -16.394 593 HB THR 86 HB THR 86 -9.282 4.482 -15.898 594 HG1 THR 86 HG1 THR 86 -11.715 5.749 -16.581 595 HG21 THR 86 HG21 THR 86 -11.347 5.073 -14.371 596 HG22 THR 86 HG22 THR 86 -10.617 6.679 -14.384 597 HG23 THR 86 HG23 THR 86 -9.698 5.296 -13.788 598 H ASN 87 H ASN 87 -8.982 7.977 -14.303 599 HA ASN 87 HA ASN 87 -6.116 7.802 -13.896 600 HB2 ASN 87 HB2 ASN 87 -7.814 9.835 -13.489 601 HB3 ASN 87 HB3 ASN 87 -7.866 9.116 -11.882 602 HD21 ASN 87 HD21 ASN 87 -5.062 8.131 -12.303 603 HD22 ASN 87 HD22 ASN 87 -4.071 9.513 -12.001 604 H CYS 88 H CYS 88 -5.432 5.929 -13.053 605 HA CYS 88 HA CYS 88 -6.990 4.402 -11.193 606 HB2 CYS 88 HB2 CYS 88 -4.074 4.065 -11.921 607 HB3 CYS 88 HB3 CYS 88 -5.120 2.862 -11.175 608 H ASN 89 H ASN 89 -5.276 7.171 -10.812 609 HA ASN 89 HA ASN 89 -4.040 6.546 -8.268 610 HB2 ASN 89 HB2 ASN 89 -4.301 9.102 -9.856 611 HB3 ASN 89 HB3 ASN 89 -3.540 9.033 -8.269 612 HD21 ASN 89 HD21 ASN 89 -3.395 7.672 -11.520 613 HD22 ASN 89 HD22 ASN 89 -1.690 7.392 -11.519 614 H THR 90 H THR 90 -7.057 7.695 -9.424 615 HA THR 90 HA THR 90 -7.799 8.688 -6.759 616 HB THR 90 HB THR 90 -9.573 9.894 -7.739 617 HG1 THR 90 HG1 THR 90 -9.092 8.557 -10.209 618 HG21 THR 90 HG21 THR 90 -7.399 10.909 -8.181 619 HG22 THR 90 HG22 THR 90 -8.508 11.219 -9.517 620 HG23 THR 90 HG23 THR 90 -7.257 9.986 -9.677 621 H VAL 91 H VAL 91 -7.539 5.863 -7.356 622 HA VAL 91 HA VAL 91 -10.344 4.981 -7.228 623 HB VAL 91 HB VAL 91 -9.672 2.833 -7.954 624 HG11 VAL 91 HG11 VAL 91 -8.665 3.257 -10.096 625 HG12 VAL 91 HG12 VAL 91 -9.732 4.604 -9.694 626 HG13 VAL 91 HG13 VAL 91 -7.985 4.779 -9.521 627 HG21 VAL 91 HG21 VAL 91 -7.002 2.721 -8.428 628 HG22 VAL 91 HG22 VAL 91 -7.045 3.677 -6.946 629 HG23 VAL 91 HG23 VAL 91 -7.787 2.078 -6.985 630 H LYS 92 H LYS 92 -11.064 3.698 -5.555 631 HA LYS 92 HA LYS 92 -9.397 3.743 -3.151 632 HB2 LYS 92 HB2 LYS 92 -11.374 3.562 -1.891 633 HB3 LYS 92 HB3 LYS 92 -11.795 4.636 -3.218 634 HG2 LYS 92 HG2 LYS 92 -12.593 2.430 -4.365 635 HG3 LYS 92 HG3 LYS 92 -12.649 1.829 -2.707 636 HD2 LYS 92 HD2 LYS 92 -13.996 4.371 -3.603 637 HD3 LYS 92 HD3 LYS 92 -14.801 2.801 -3.569 638 HE2 LYS 92 HE2 LYS 92 -13.832 2.823 -1.084 639 HE3 LYS 92 HE3 LYS 92 -13.961 4.563 -1.338 640 HZ1 LYS 92 HZ1 LYS 92 -15.978 3.730 -0.368 641 HZ2 LYS 92 HZ2 LYS 92 -16.155 2.580 -1.595 642 HZ3 LYS 92 HZ3 LYS 92 -16.300 4.227 -1.954 643 H PHE 93 H PHE 93 -10.504 1.700 -1.692 644 HA PHE 93 HA PHE 93 -9.391 -0.629 -3.066 645 HB2 PHE 93 HB2 PHE 93 -9.090 -1.610 -0.918 646 HB3 PHE 93 HB3 PHE 93 -8.599 0.074 -0.763 647 HD1 PHE 93 HD1 PHE 93 -10.849 -2.496 0.368 648 HD2 PHE 93 HD2 PHE 93 -10.150 1.703 0.322 649 HE1 PHE 93 HE1 PHE 93 -12.417 -2.217 2.243 650 HE2 PHE 93 HE2 PHE 93 -11.716 1.988 2.198 651 HZ PHE 93 HZ PHE 93 -12.851 0.026 3.161 652 HC11 PGM 101 H11 PPG 103 9.218 -2.636 -21.700 653 HC12 PGM 101 H12 PPG 103 8.613 -1.336 -22.494 654 HO1 PGM 101 H1 PPG 103 11.075 -2.600 -22.939 655 HC2 PGM 101 H2A PPG 103 11.057 -0.981 -20.940 656 HO2 PGM 101 H2 PPG 103 10.006 0.543 -22.547 657 HC31 PGM 101 H31 PPG 103 8.252 -0.920 -20.070 658 HC32 PGM 101 H32 PPG 103 9.426 -0.164 -19.209 659 HC71 PGM 101 H91 PPG 103 7.888 -4.909 -18.239 660 HC72 PGM 101 H92 PPG 103 8.345 -4.093 -19.569 661 HC8 PGM 101 H10A PPG 103 6.857 -5.843 -20.180 662 HO8 PGM 101 H10 PPG 103 5.046 -4.325 -20.996 663 HC91 PGM 101 H111 PPG 103 5.138 -4.445 -18.267 664 HC92 PGM 101 H112 PPG 103 5.451 -6.043 -18.270 665 HCB1 PGM 101 H151 PPG 103 1.336 -5.788 -19.785 666 HCB2 PGM 101 H152 PPG 103 1.868 -4.933 -21.068 667 HCC1 PGM 101 H161 PPG 103 0.825 -3.005 -20.345 668 HCC2 PGM 101 H162 PPG 103 0.706 -3.551 -18.813 669 HCD1 PGM 101 H171 PPG 103 -0.805 -5.267 -19.558 670 HCD2 PGM 101 H172 PPG 103 -0.716 -4.662 -21.065 671 HCE1 PGM 101 H181 PPG 103 -2.567 -3.617 -20.469 672 HCE2 PGM 101 H182 PPG 103 -1.520 -2.546 -19.834 673 HCF1 PGM 101 H191 PPG 103 -1.738 -3.889 -17.767 674 HCF2 PGM 101 H192 PPG 103 -3.079 -4.491 -18.470 675 HCG1 PGM 101 H201 PPG 103 -3.107 -1.710 -18.348 676 HCG2 PGM 101 H202 PPG 103 -3.050 -2.409 -16.880 677 HCH1 PGM 101 H211 PPG 103 -5.086 -3.500 -17.243 678 HCH2 PGM 101 H212 PPG 103 -5.097 -3.049 -18.813 679 HCI1 PGM 101 H221 PPG 103 -6.429 -1.458 -17.745 680 HCI2 PGM 101 H222 PPG 103 -4.997 -0.706 -17.999 681 HCJ1 PGM 101 H231 PPG 103 -5.628 -0.246 -15.815 682 HCJ2 PGM 101 H232 PPG 103 -4.368 -1.288 -15.739 683 HCK1 PGM 101 H241 PPG 103 -6.028 -3.081 -15.485 684 HCK2 PGM 101 H242 PPG 103 -7.141 -1.910 -15.252 685 HCL1 PGM 101 H251 PPG 103 -6.441 -2.440 -13.095 686 HCL2 PGM 101 H252 PPG 103 -5.616 -1.069 -13.435 687 HCM1 PGM 101 H261 PPG 103 -3.683 -2.276 -14.011 688 HCM2 PGM 101 H262 PPG 103 -4.505 -3.681 -14.108 689 HCN1 PGM 101 H271 PPG 103 -4.586 -2.275 -11.615 690 HCN2 PGM 101 H272 PPG 103 -3.237 -3.129 -11.937 691 HCO1 PGM 101 H281 PPG 103 -5.729 -4.417 -12.409 692 HCO2 PGM 101 H282 PPG 103 -5.283 -4.250 -10.841 693 HCP1 PGM 101 H291 PPG 103 -4.805 -6.419 -11.596 694 HCP2 PGM 101 H292 PPG 103 -3.865 -5.810 -12.783 695 HCP3 PGM 101 H293 PPG 103 -3.414 -5.639 -11.228 Start of MODEL 15 1 H ALA 1 H ALA 1 5.068 -1.522 1.178 2 HA ALA 1 HA ALA 1 2.778 -0.955 -0.564 3 HB1 ALA 1 HB1 ALA 1 5.118 0.635 -0.437 4 HB2 ALA 1 HB2 ALA 1 5.144 -0.237 -1.970 5 HB3 ALA 1 HB3 ALA 1 3.758 0.771 -1.553 6 H ILE 2 H ILE 2 2.823 -2.074 -2.589 7 HA ILE 2 HA ILE 2 4.017 -4.685 -2.374 8 HB ILE 2 HB ILE 2 2.764 -5.286 -4.304 9 HG12 ILE 2 HG12 ILE 2 2.329 -2.322 -4.726 10 HG13 ILE 2 HG13 ILE 2 3.300 -3.389 -5.734 11 HG21 ILE 2 HG21 ILE 2 0.675 -3.516 -3.376 12 HG22 ILE 2 HG22 ILE 2 0.828 -5.264 -3.208 13 HG23 ILE 2 HG23 ILE 2 1.596 -4.195 -2.034 14 HD11 ILE 2 HD11 ILE 2 1.521 -3.773 -6.980 15 HD12 ILE 2 HD12 ILE 2 0.723 -4.513 -5.592 16 HD13 ILE 2 HD13 ILE 2 0.527 -2.789 -5.906 17 H SER 3 H SER 3 4.878 -5.588 -4.606 18 HA SER 3 HA SER 3 7.133 -3.857 -5.324 19 HB2 SER 3 HB2 SER 3 6.841 -6.795 -5.960 20 HB3 SER 3 HB3 SER 3 8.316 -5.829 -5.953 21 HG SER 3 HG SER 3 6.899 -6.940 -3.832 22 H CYS 4 H CYS 4 6.605 -2.601 -7.009 23 HA CYS 4 HA CYS 4 4.735 -3.048 -8.977 24 HB2 CYS 4 HB2 CYS 4 7.218 -1.392 -8.838 25 HB3 CYS 4 HB3 CYS 4 6.395 -1.548 -10.387 26 H GLY 5 H GLY 5 8.071 -4.154 -8.828 27 HA2 GLY 5 HA2 GLY 5 8.382 -5.020 -11.469 28 HA3 GLY 5 HA3 GLY 5 9.220 -5.696 -10.079 29 H ALA 6 H ALA 6 6.667 -6.477 -8.800 30 HA ALA 6 HA ALA 6 6.386 -9.025 -10.151 31 HB1 ALA 6 HB1 ALA 6 5.022 -9.647 -8.194 32 HB2 ALA 6 HB2 ALA 6 6.612 -9.029 -7.744 33 HB3 ALA 6 HB3 ALA 6 5.188 -8.002 -7.580 34 H VAL 7 H VAL 7 4.696 -6.040 -9.946 35 HA VAL 7 HA VAL 7 2.069 -6.931 -10.467 36 HB VAL 7 HB VAL 7 3.295 -4.286 -11.259 37 HG11 VAL 7 HG11 VAL 7 0.425 -4.737 -10.548 38 HG12 VAL 7 HG12 VAL 7 1.151 -3.454 -11.518 39 HG13 VAL 7 HG13 VAL 7 1.001 -5.082 -12.179 40 HG21 VAL 7 HG21 VAL 7 2.754 -3.436 -9.143 41 HG22 VAL 7 HG22 VAL 7 1.745 -4.827 -8.744 42 HG23 VAL 7 HG23 VAL 7 3.499 -5.000 -8.811 43 H THR 8 H THR 8 4.553 -5.623 -12.664 44 HA THR 8 HA THR 8 3.019 -6.203 -15.009 45 HB THR 8 HB THR 8 4.964 -5.499 -16.272 46 HG1 THR 8 HG1 THR 8 6.343 -5.441 -13.775 47 HG21 THR 8 HG21 THR 8 5.295 -3.509 -14.188 48 HG22 THR 8 HG22 THR 8 3.599 -3.922 -14.439 49 HG23 THR 8 HG23 THR 8 4.578 -3.351 -15.790 50 H SER 9 H SER 9 5.694 -7.756 -13.312 51 HA SER 9 HA SER 9 6.382 -9.677 -15.206 52 HB2 SER 9 HB2 SER 9 6.646 -9.435 -12.254 53 HB3 SER 9 HB3 SER 9 6.862 -11.043 -12.947 54 HG SER 9 HG SER 9 8.547 -10.292 -14.159 55 H ASP 10 H ASP 10 3.865 -9.729 -12.726 56 HA ASP 10 HA ASP 10 3.048 -12.380 -12.985 57 HB2 ASP 10 HB2 ASP 10 1.573 -9.873 -12.204 58 HB3 ASP 10 HB3 ASP 10 0.771 -11.441 -12.237 59 H LEU 11 H LEU 11 2.505 -9.641 -15.048 60 HA LEU 11 HA LEU 11 0.472 -11.052 -16.594 61 HB2 LEU 11 HB2 LEU 11 1.592 -8.267 -16.697 62 HB3 LEU 11 HB3 LEU 11 0.540 -8.901 -17.961 63 HG LEU 11 HG LEU 11 -0.169 -8.471 -15.061 64 HD11 LEU 11 HD11 LEU 11 -0.105 -6.659 -17.102 65 HD12 LEU 11 HD12 LEU 11 -1.133 -6.550 -15.673 66 HD13 LEU 11 HD13 LEU 11 -1.771 -7.235 -17.168 67 HD21 LEU 11 HD21 LEU 11 -1.397 -10.121 -17.155 68 HD22 LEU 11 HD22 LEU 11 -2.503 -9.016 -16.338 69 HD23 LEU 11 HD23 LEU 11 -1.575 -10.189 -15.401 70 H SER 12 H SER 12 3.465 -11.687 -16.433 71 HA SER 12 HA SER 12 4.747 -11.114 -18.827 72 HB2 SER 12 HB2 SER 12 5.016 -13.156 -16.718 73 HB3 SER 12 HB3 SER 12 5.669 -13.624 -18.287 74 HG SER 12 HG SER 12 6.834 -12.127 -16.514 75 HA PRO 13 HA PRO 13 2.931 -15.176 -20.705 76 HB2 PRO 13 HB2 PRO 13 0.968 -16.429 -19.310 77 HB3 PRO 13 HB3 PRO 13 2.685 -16.782 -19.080 78 HG2 PRO 13 HG2 PRO 13 0.874 -15.042 -17.450 79 HG3 PRO 13 HG3 PRO 13 2.095 -16.208 -16.905 80 HD2 PRO 13 HD2 PRO 13 2.553 -13.540 -16.966 81 HD3 PRO 13 HD3 PRO 13 3.835 -14.736 -17.246 82 H CYS 14 H CYS 14 1.169 -12.659 -19.260 83 HA CYS 14 HA CYS 14 -1.214 -13.094 -20.887 84 HB2 CYS 14 HB2 CYS 14 -0.572 -10.928 -18.874 85 HB3 CYS 14 HB3 CYS 14 -2.119 -11.134 -19.689 86 H LEU 15 H LEU 15 1.623 -11.076 -20.731 87 HA LEU 15 HA LEU 15 0.998 -8.899 -22.243 88 HB2 LEU 15 HB2 LEU 15 3.255 -9.702 -21.243 89 HB3 LEU 15 HB3 LEU 15 3.510 -10.414 -22.835 90 HG LEU 15 HG LEU 15 3.367 -8.209 -23.861 91 HD11 LEU 15 HD11 LEU 15 3.594 -6.427 -21.747 92 HD12 LEU 15 HD12 LEU 15 2.276 -7.501 -21.279 93 HD13 LEU 15 HD13 LEU 15 2.203 -6.633 -22.813 94 HD21 LEU 15 HD21 LEU 15 5.524 -9.117 -22.943 95 HD22 LEU 15 HD22 LEU 15 5.269 -8.094 -21.529 96 HD23 LEU 15 HD23 LEU 15 5.460 -7.364 -23.124 97 H THR 16 H THR 16 1.648 -12.168 -23.407 98 HA THR 16 HA THR 16 1.759 -11.693 -26.139 99 HB THR 16 HB THR 16 0.601 -14.090 -24.703 100 HG1 THR 16 HG1 THR 16 2.659 -14.913 -24.906 101 HG21 THR 16 HG21 THR 16 0.013 -14.893 -26.695 102 HG22 THR 16 HG22 THR 16 1.694 -14.786 -27.217 103 HG23 THR 16 HG23 THR 16 0.600 -13.429 -27.483 104 H TYR 17 H TYR 17 -1.122 -12.837 -24.365 105 HA TYR 17 HA TYR 17 -2.911 -12.372 -26.487 106 HB2 TYR 17 HB2 TYR 17 -3.574 -13.896 -24.783 107 HB3 TYR 17 HB3 TYR 17 -3.331 -12.697 -23.517 108 HD1 TYR 17 HD1 TYR 17 -5.378 -13.246 -26.594 109 HD2 TYR 17 HD2 TYR 17 -5.176 -11.579 -22.685 110 HE1 TYR 17 HE1 TYR 17 -7.749 -12.613 -26.749 111 HE2 TYR 17 HE2 TYR 17 -7.548 -10.942 -22.828 112 HH TYR 17 HH TYR 17 -9.288 -10.642 -24.295 113 H LEU 18 H LEU 18 -1.748 -10.337 -23.890 114 HA LEU 18 HA LEU 18 -3.693 -8.278 -24.211 115 HB2 LEU 18 HB2 LEU 18 -0.971 -8.306 -22.924 116 HB3 LEU 18 HB3 LEU 18 -2.052 -6.915 -22.892 117 HG LEU 18 HG LEU 18 -2.514 -9.605 -21.610 118 HD11 LEU 18 HD11 LEU 18 -2.538 -8.259 -19.539 119 HD12 LEU 18 HD12 LEU 18 -2.075 -6.845 -20.483 120 HD13 LEU 18 HD13 LEU 18 -0.982 -8.223 -20.367 121 HD21 LEU 18 HD21 LEU 18 -4.451 -7.817 -20.732 122 HD22 LEU 18 HD22 LEU 18 -4.690 -9.192 -21.811 123 HD23 LEU 18 HD23 LEU 18 -4.392 -7.586 -22.479 124 H THR 19 H THR 19 -0.867 -9.169 -25.918 125 HA THR 19 HA THR 19 -0.629 -6.523 -27.161 126 HB THR 19 HB THR 19 1.423 -7.494 -28.245 127 HG1 THR 19 HG1 THR 19 1.598 -9.593 -28.092 128 HG21 THR 19 HG21 THR 19 2.248 -7.917 -25.560 129 HG22 THR 19 HG22 THR 19 1.014 -6.657 -25.555 130 HG23 THR 19 HG23 THR 19 2.455 -6.477 -26.555 131 H GLY 20 H GLY 20 -2.822 -8.502 -27.662 132 HA2 GLY 20 HA2 GLY 20 -4.103 -8.682 -29.633 133 HA3 GLY 20 HA3 GLY 20 -2.647 -8.402 -30.577 134 H GLY 21 H GLY 21 -1.506 -10.539 -28.532 135 HA2 GLY 21 HA2 GLY 21 -1.592 -12.697 -30.366 136 HA3 GLY 21 HA3 GLY 21 -0.959 -12.762 -28.727 137 HA PRO 22 HA PRO 22 -4.944 -15.246 -29.146 138 HB2 PRO 22 HB2 PRO 22 -3.860 -17.675 -28.604 139 HB3 PRO 22 HB3 PRO 22 -3.978 -17.019 -30.242 140 HG2 PRO 22 HG2 PRO 22 -1.633 -17.060 -28.381 141 HG3 PRO 22 HG3 PRO 22 -1.687 -17.400 -30.121 142 HD2 PRO 22 HD2 PRO 22 -0.852 -15.024 -29.126 143 HD3 PRO 22 HD3 PRO 22 -1.689 -15.165 -30.685 144 H GLY 23 H GLY 23 -6.145 -16.005 -27.406 145 HA2 GLY 23 HA2 GLY 23 -5.624 -17.043 -25.044 146 HA3 GLY 23 HA3 GLY 23 -4.980 -15.429 -24.784 147 HA PRO 24 HA PRO 24 -5.376 -14.841 -22.925 148 HB2 PRO 24 HB2 PRO 24 -6.600 -15.250 -20.536 149 HB3 PRO 24 HB3 PRO 24 -6.600 -13.687 -21.361 150 HG2 PRO 24 HG2 PRO 24 -8.731 -15.789 -21.285 151 HG3 PRO 24 HG3 PRO 24 -8.890 -14.028 -21.139 152 HD2 PRO 24 HD2 PRO 24 -9.409 -15.352 -23.443 153 HD3 PRO 24 HD3 PRO 24 -8.757 -13.701 -23.417 154 H SER 25 H SER 25 -3.999 -16.472 -22.649 155 HA SER 25 HA SER 25 -4.766 -19.182 -22.845 156 HB2 SER 25 HB2 SER 25 -2.283 -19.402 -21.851 157 HB3 SER 25 HB3 SER 25 -2.595 -18.965 -23.530 158 HG SER 25 HG SER 25 -1.188 -17.592 -21.907 159 HA PRO 26 HA PRO 26 -5.594 -20.468 -18.735 160 HB2 PRO 26 HB2 PRO 26 -4.271 -22.830 -18.541 161 HB3 PRO 26 HB3 PRO 26 -5.730 -22.623 -19.517 162 HG2 PRO 26 HG2 PRO 26 -2.862 -22.631 -20.376 163 HG3 PRO 26 HG3 PRO 26 -4.262 -23.404 -21.143 164 HD2 PRO 26 HD2 PRO 26 -3.225 -21.063 -22.025 165 HD3 PRO 26 HD3 PRO 26 -4.955 -21.445 -22.141 166 H GLN 27 H GLN 27 -2.202 -20.422 -19.667 167 HA GLN 27 HA GLN 27 -1.211 -20.574 -16.982 168 HB2 GLN 27 HB2 GLN 27 0.207 -19.674 -19.495 169 HB3 GLN 27 HB3 GLN 27 0.971 -20.115 -17.974 170 HG2 GLN 27 HG2 GLN 27 0.231 -22.398 -18.217 171 HG3 GLN 27 HG3 GLN 27 -0.659 -21.982 -19.681 172 HE21 GLN 27 HE21 GLN 27 0.843 -20.747 -21.302 173 HE22 GLN 27 HE22 GLN 27 2.349 -21.533 -21.617 174 H CYS 28 H CYS 28 -2.165 -18.038 -19.162 175 HA CYS 28 HA CYS 28 -0.869 -15.906 -17.777 176 HB2 CYS 28 HB2 CYS 28 -1.354 -15.256 -19.925 177 HB3 CYS 28 HB3 CYS 28 -2.877 -16.138 -19.962 178 H CYS 29 H CYS 29 -4.237 -17.055 -17.886 179 HA CYS 29 HA CYS 29 -5.405 -15.251 -16.167 180 HB2 CYS 29 HB2 CYS 29 -5.947 -18.173 -16.654 181 HB3 CYS 29 HB3 CYS 29 -6.929 -17.231 -15.537 182 H GLY 30 H GLY 30 -3.403 -18.033 -15.398 183 HA2 GLY 30 HA2 GLY 30 -3.908 -18.304 -12.682 184 HA3 GLY 30 HA3 GLY 30 -2.365 -18.653 -13.446 185 H GLY 31 H GLY 31 -1.650 -16.092 -14.299 186 HA2 GLY 31 HA2 GLY 31 -0.657 -15.015 -11.834 187 HA3 GLY 31 HA3 GLY 31 -0.362 -14.377 -13.445 188 H VAL 32 H VAL 32 -3.026 -13.948 -14.240 189 HA VAL 32 HA VAL 32 -3.510 -11.381 -13.370 190 HB VAL 32 HB VAL 32 -5.564 -13.361 -14.366 191 HG11 VAL 32 HG11 VAL 32 -6.582 -11.418 -13.279 192 HG12 VAL 32 HG12 VAL 32 -5.642 -10.345 -14.318 193 HG13 VAL 32 HG13 VAL 32 -6.864 -11.406 -15.019 194 HG21 VAL 32 HG21 VAL 32 -4.115 -11.268 -15.966 195 HG22 VAL 32 HG22 VAL 32 -3.517 -12.919 -15.805 196 HG23 VAL 32 HG23 VAL 32 -5.086 -12.619 -16.552 197 H LYS 33 H LYS 33 -4.910 -14.398 -12.142 198 HA LYS 33 HA LYS 33 -6.644 -13.200 -10.264 199 HB2 LYS 33 HB2 LYS 33 -5.390 -15.952 -10.253 200 HB3 LYS 33 HB3 LYS 33 -6.726 -15.446 -9.227 201 HG2 LYS 33 HG2 LYS 33 -8.241 -15.558 -10.904 202 HG3 LYS 33 HG3 LYS 33 -7.074 -15.083 -12.141 203 HD2 LYS 33 HD2 LYS 33 -6.129 -17.276 -12.192 204 HD3 LYS 33 HD3 LYS 33 -7.056 -17.770 -10.774 205 HE2 LYS 33 HE2 LYS 33 -8.667 -16.765 -13.013 206 HE3 LYS 33 HE3 LYS 33 -7.780 -18.249 -13.353 207 HZ1 LYS 33 HZ1 LYS 33 -10.076 -17.840 -11.690 208 HZ2 LYS 33 HZ2 LYS 33 -8.847 -18.684 -10.892 209 HZ3 LYS 33 HZ3 LYS 33 -9.466 -19.272 -12.352 210 H LYS 34 H LYS 34 -3.337 -14.439 -10.003 211 HA LYS 34 HA LYS 34 -3.036 -14.080 -7.232 212 HB2 LYS 34 HB2 LYS 34 -1.478 -15.441 -8.491 213 HB3 LYS 34 HB3 LYS 34 -0.982 -14.052 -9.449 214 HG2 LYS 34 HG2 LYS 34 0.357 -13.228 -7.818 215 HG3 LYS 34 HG3 LYS 34 -0.665 -13.839 -6.516 216 HD2 LYS 34 HD2 LYS 34 0.265 -15.968 -6.618 217 HD3 LYS 34 HD3 LYS 34 0.872 -15.730 -8.258 218 HE2 LYS 34 HE2 LYS 34 2.486 -14.077 -7.378 219 HE3 LYS 34 HE3 LYS 34 1.912 -14.421 -5.747 220 HZ1 LYS 34 HZ1 LYS 34 2.770 -16.702 -7.344 221 HZ2 LYS 34 HZ2 LYS 34 2.971 -16.400 -5.692 222 HZ3 LYS 34 HZ3 LYS 34 3.986 -15.649 -6.818 223 H LEU 35 H LEU 35 -2.441 -11.915 -9.961 224 HA LEU 35 HA LEU 35 -1.266 -9.826 -8.453 225 HB2 LEU 35 HB2 LEU 35 -0.919 -9.889 -10.808 226 HB3 LEU 35 HB3 LEU 35 -2.653 -9.873 -11.124 227 HG LEU 35 HG LEU 35 -2.805 -7.570 -10.422 228 HD11 LEU 35 HD11 LEU 35 0.126 -7.828 -9.774 229 HD12 LEU 35 HD12 LEU 35 -1.192 -7.536 -8.640 230 HD13 LEU 35 HD13 LEU 35 -0.762 -6.305 -9.827 231 HD21 LEU 35 HD21 LEU 35 -1.629 -6.538 -12.207 232 HD22 LEU 35 HD22 LEU 35 -2.067 -8.157 -12.753 233 HD23 LEU 35 HD23 LEU 35 -0.415 -7.818 -12.236 234 H LEU 36 H LEU 36 -4.569 -10.245 -9.725 235 HA LEU 36 HA LEU 36 -5.618 -7.914 -8.530 236 HB2 LEU 36 HB2 LEU 36 -6.919 -10.442 -9.513 237 HB3 LEU 36 HB3 LEU 36 -7.835 -9.068 -8.897 238 HG LEU 36 HG LEU 36 -5.972 -8.915 -11.262 239 HD11 LEU 36 HD11 LEU 36 -8.023 -10.464 -11.462 240 HD12 LEU 36 HD12 LEU 36 -7.758 -9.244 -12.707 241 HD13 LEU 36 HD13 LEU 36 -8.960 -8.970 -11.445 242 HD21 LEU 36 HD21 LEU 36 -7.186 -6.830 -11.708 243 HD22 LEU 36 HD22 LEU 36 -6.362 -6.791 -10.150 244 HD23 LEU 36 HD23 LEU 36 -8.105 -7.054 -10.219 245 H ALA 37 H ALA 37 -5.019 -11.109 -7.329 246 HA ALA 37 HA ALA 37 -6.791 -11.107 -5.135 247 HB1 ALA 37 HB1 ALA 37 -5.792 -13.160 -5.890 248 HB2 ALA 37 HB2 ALA 37 -4.176 -12.552 -5.531 249 HB3 ALA 37 HB3 ALA 37 -5.309 -12.869 -4.218 250 H ALA 38 H ALA 38 -3.646 -9.687 -5.637 251 HA ALA 38 HA ALA 38 -3.251 -9.102 -2.828 252 HB1 ALA 38 HB1 ALA 38 -1.180 -9.370 -3.685 253 HB2 ALA 38 HB2 ALA 38 -1.661 -8.847 -5.299 254 HB3 ALA 38 HB3 ALA 38 -1.345 -7.651 -4.042 255 H ALA 39 H ALA 39 -4.116 -7.361 -5.780 256 HA ALA 39 HA ALA 39 -4.360 -4.849 -4.339 257 HB1 ALA 39 HB1 ALA 39 -4.559 -3.804 -6.401 258 HB2 ALA 39 HB2 ALA 39 -3.484 -5.159 -6.748 259 HB3 ALA 39 HB3 ALA 39 -5.189 -5.252 -7.187 260 H ASN 40 H ASN 40 -6.051 -5.627 -2.895 261 HA ASN 40 HA ASN 40 -8.699 -5.357 -4.137 262 HB2 ASN 40 HB2 ASN 40 -7.966 -7.786 -3.492 263 HB3 ASN 40 HB3 ASN 40 -8.313 -7.257 -1.849 264 HD21 ASN 40 HD21 ASN 40 -10.111 -8.380 -1.416 265 HD22 ASN 40 HD22 ASN 40 -11.586 -8.258 -2.309 266 H THR 41 H THR 41 -6.596 -3.972 -2.178 267 HA THR 41 HA THR 41 -8.507 -3.259 -0.069 268 HB THR 41 HB THR 41 -6.234 -1.955 0.639 269 HG1 THR 41 HG1 THR 41 -4.491 -2.960 -0.097 270 HG21 THR 41 HG21 THR 41 -5.992 -4.654 1.558 271 HG22 THR 41 HG22 THR 41 -7.699 -4.215 1.490 272 HG23 THR 41 HG23 THR 41 -6.573 -3.236 2.429 273 H THR 42 H THR 42 -5.893 -1.379 -1.565 274 HA THR 42 HA THR 42 -7.461 0.419 -3.009 275 HB THR 42 HB THR 42 -7.205 1.052 -0.118 276 HG1 THR 42 HG1 THR 42 -9.161 0.669 -1.691 277 HG21 THR 42 HG21 THR 42 -6.748 3.040 -2.322 278 HG22 THR 42 HG22 THR 42 -5.850 2.826 -0.819 279 HG23 THR 42 HG23 THR 42 -7.469 3.526 -0.788 280 HA PRO 43 HA PRO 43 -3.106 2.376 -2.250 281 HB2 PRO 43 HB2 PRO 43 -1.486 1.142 -0.454 282 HB3 PRO 43 HB3 PRO 43 -2.615 2.426 -0.006 283 HG2 PRO 43 HG2 PRO 43 -2.918 -0.540 0.261 284 HG3 PRO 43 HG3 PRO 43 -3.337 0.736 1.419 285 HD2 PRO 43 HD2 PRO 43 -5.183 -0.468 -0.154 286 HD3 PRO 43 HD3 PRO 43 -5.319 1.228 0.350 287 H ASP 44 H ASP 44 -3.681 -1.026 -2.350 288 HA ASP 44 HA ASP 44 -1.137 -1.661 -3.580 289 HB2 ASP 44 HB2 ASP 44 -3.500 -3.191 -2.636 290 HB3 ASP 44 HB3 ASP 44 -2.570 -3.903 -3.952 291 H ARG 45 H ARG 45 -4.462 -1.110 -4.549 292 HA ARG 45 HA ARG 45 -4.128 -2.010 -7.237 293 HB2 ARG 45 HB2 ARG 45 -6.226 -0.046 -6.355 294 HB3 ARG 45 HB3 ARG 45 -6.328 -1.275 -7.608 295 HG2 ARG 45 HG2 ARG 45 -5.850 -2.746 -5.333 296 HG3 ARG 45 HG3 ARG 45 -6.910 -1.452 -4.769 297 HD2 ARG 45 HD2 ARG 45 -7.457 -3.230 -7.143 298 HD3 ARG 45 HD3 ARG 45 -8.143 -3.454 -5.534 299 HE ARG 45 HE ARG 45 -8.991 -1.581 -7.521 300 HH11 ARG 45 HH11 ARG 45 -8.781 -2.161 -4.094 301 HH12 ARG 45 HH12 ARG 45 -10.109 -1.120 -3.705 302 HH21 ARG 45 HH21 ARG 45 -10.742 -0.208 -7.020 303 HH22 ARG 45 HH22 ARG 45 -11.225 -0.010 -5.370 304 H GLN 46 H GLN 46 -4.025 1.141 -5.637 305 HA GLN 46 HA GLN 46 -3.880 2.795 -7.856 306 HB2 GLN 46 HB2 GLN 46 -2.558 3.066 -5.155 307 HB3 GLN 46 HB3 GLN 46 -2.593 4.350 -6.356 308 HG2 GLN 46 HG2 GLN 46 -5.207 3.786 -6.236 309 HG3 GLN 46 HG3 GLN 46 -4.730 3.332 -4.601 310 HE21 GLN 46 HE21 GLN 46 -6.191 5.128 -4.067 311 HE22 GLN 46 HE22 GLN 46 -5.543 6.730 -4.030 312 H ALA 47 H ALA 47 -1.162 1.374 -6.038 313 HA ALA 47 HA ALA 47 0.852 2.314 -7.771 314 HB1 ALA 47 HB1 ALA 47 2.101 0.254 -6.698 315 HB2 ALA 47 HB2 ALA 47 1.727 1.696 -5.753 316 HB3 ALA 47 HB3 ALA 47 0.704 0.265 -5.621 317 H ALA 48 H ALA 48 -0.397 -1.014 -7.418 318 HA ALA 48 HA ALA 48 0.870 -2.207 -9.528 319 HB1 ALA 48 HB1 ALA 48 -1.936 -2.689 -8.541 320 HB2 ALA 48 HB2 ALA 48 -1.062 -3.763 -9.633 321 HB3 ALA 48 HB3 ALA 48 -0.462 -3.490 -7.997 322 H CYS 49 H CYS 49 -2.053 -0.227 -9.621 323 HA CYS 49 HA CYS 49 -2.666 -0.675 -12.346 324 HB2 CYS 49 HB2 CYS 49 -4.253 0.251 -10.651 325 HB3 CYS 49 HB3 CYS 49 -3.342 1.757 -10.679 326 H ASN 50 H ASN 50 -1.477 2.363 -10.906 327 HA ASN 50 HA ASN 50 -0.729 3.662 -13.185 328 HB2 ASN 50 HB2 ASN 50 0.781 3.700 -10.561 329 HB3 ASN 50 HB3 ASN 50 0.867 4.930 -11.818 330 HD21 ASN 50 HD21 ASN 50 -0.067 4.877 -8.944 331 HD22 ASN 50 HD22 ASN 50 -1.623 5.625 -8.995 332 H CYS 51 H CYS 51 1.481 1.687 -11.195 333 HA CYS 51 HA CYS 51 3.718 1.780 -12.780 334 HB2 CYS 51 HB2 CYS 51 2.622 -0.181 -10.843 335 HB3 CYS 51 HB3 CYS 51 3.902 -0.761 -11.904 336 H LEU 52 H LEU 52 0.837 -0.186 -13.204 337 HA LEU 52 HA LEU 52 1.935 -1.735 -15.358 338 HB2 LEU 52 HB2 LEU 52 -0.672 -1.506 -13.979 339 HB3 LEU 52 HB3 LEU 52 -0.703 -2.102 -15.637 340 HG LEU 52 HG LEU 52 1.024 -3.343 -13.509 341 HD11 LEU 52 HD11 LEU 52 -0.835 -5.107 -13.510 342 HD12 LEU 52 HD12 LEU 52 -1.860 -3.831 -14.166 343 HD13 LEU 52 HD13 LEU 52 -1.099 -3.626 -12.588 344 HD21 LEU 52 HD21 LEU 52 -0.103 -4.542 -16.028 345 HD22 LEU 52 HD22 LEU 52 1.176 -5.178 -14.993 346 HD23 LEU 52 HD23 LEU 52 1.464 -3.735 -15.966 347 H LYS 53 H LYS 53 -0.073 1.135 -15.051 348 HA LYS 53 HA LYS 53 -0.822 1.339 -17.770 349 HB2 LYS 53 HB2 LYS 53 -0.482 3.673 -15.894 350 HB3 LYS 53 HB3 LYS 53 -1.597 3.521 -17.246 351 HG2 LYS 53 HG2 LYS 53 -2.167 1.406 -15.472 352 HG3 LYS 53 HG3 LYS 53 -1.999 2.870 -14.501 353 HD2 LYS 53 HD2 LYS 53 -4.302 2.613 -15.200 354 HD3 LYS 53 HD3 LYS 53 -3.589 4.013 -16.005 355 HE2 LYS 53 HE2 LYS 53 -5.000 2.523 -17.463 356 HE3 LYS 53 HE3 LYS 53 -3.367 2.834 -18.050 357 HZ1 LYS 53 HZ1 LYS 53 -2.754 0.698 -17.753 358 HZ2 LYS 53 HZ2 LYS 53 -4.412 0.411 -17.926 359 HZ3 LYS 53 HZ3 LYS 53 -3.721 0.474 -16.383 360 H SER 54 H SER 54 1.992 2.399 -15.970 361 HA SER 54 HA SER 54 3.035 4.105 -17.997 362 HB2 SER 54 HB2 SER 54 4.606 2.720 -15.817 363 HB3 SER 54 HB3 SER 54 5.024 4.211 -16.660 364 HG SER 54 HG SER 54 4.143 4.762 -14.693 365 H ALA 55 H ALA 55 3.750 0.767 -17.014 366 HA ALA 55 HA ALA 55 5.752 0.299 -18.946 367 HB1 ALA 55 HB1 ALA 55 5.410 -2.079 -18.440 368 HB2 ALA 55 HB2 ALA 55 5.528 -1.101 -16.976 369 HB3 ALA 55 HB3 ALA 55 3.953 -1.667 -17.534 370 H ALA 56 H ALA 56 2.290 0.276 -19.102 371 HA ALA 56 HA ALA 56 2.179 -1.223 -21.573 372 HB1 ALA 56 HB1 ALA 56 0.288 -0.290 -19.590 373 HB2 ALA 56 HB2 ALA 56 -0.279 0.014 -21.233 374 HB3 ALA 56 HB3 ALA 56 0.155 -1.622 -20.739 375 H GLY 57 H GLY 57 2.398 2.092 -20.582 376 HA2 GLY 57 HA2 GLY 57 1.390 3.271 -22.971 377 HA3 GLY 57 HA3 GLY 57 2.377 4.071 -21.756 378 H SER 58 H SER 58 4.441 1.886 -22.110 379 HA SER 58 HA SER 58 5.852 3.202 -24.281 380 HB2 SER 58 HB2 SER 58 6.954 2.718 -22.081 381 HB3 SER 58 HB3 SER 58 6.839 0.999 -22.455 382 HG SER 58 HG SER 58 8.604 2.864 -23.369 383 H ILE 59 H ILE 59 3.629 0.925 -24.316 384 HA ILE 59 HA ILE 59 5.019 -0.842 -26.210 385 HB ILE 59 HB ILE 59 2.282 -1.350 -25.074 386 HG12 ILE 59 HG12 ILE 59 4.946 -2.149 -23.881 387 HG13 ILE 59 HG13 ILE 59 3.786 -1.031 -23.173 388 HG21 ILE 59 HG21 ILE 59 2.388 -3.196 -26.299 389 HG22 ILE 59 HG22 ILE 59 3.935 -2.656 -26.949 390 HG23 ILE 59 HG23 ILE 59 3.890 -3.668 -25.505 391 HD11 ILE 59 HD11 ILE 59 3.769 -3.978 -23.270 392 HD12 ILE 59 HD12 ILE 59 3.215 -2.874 -22.010 393 HD13 ILE 59 HD13 ILE 59 2.211 -3.167 -23.430 394 H THR 60 H THR 60 4.387 -1.004 -28.298 395 HA THR 60 HA THR 60 2.357 0.909 -29.207 396 HB THR 60 HB THR 60 4.721 0.937 -30.162 397 HG1 THR 60 HG1 THR 60 3.904 1.496 -32.176 398 HG21 THR 60 HG21 THR 60 4.757 -1.606 -30.387 399 HG22 THR 60 HG22 THR 60 5.364 -0.676 -31.757 400 HG23 THR 60 HG23 THR 60 3.749 -1.381 -31.816 401 H LYS 61 H LYS 61 3.132 -2.486 -29.120 402 HA LYS 61 HA LYS 61 0.934 -3.169 -30.907 403 HB2 LYS 61 HB2 LYS 61 3.031 -4.823 -29.501 404 HB3 LYS 61 HB3 LYS 61 1.712 -5.537 -30.420 405 HG2 LYS 61 HG2 LYS 61 2.541 -4.802 -32.441 406 HG3 LYS 61 HG3 LYS 61 3.473 -3.498 -31.703 407 HD2 LYS 61 HD2 LYS 61 5.050 -5.123 -32.380 408 HD3 LYS 61 HD3 LYS 61 4.893 -5.301 -30.631 409 HE2 LYS 61 HE2 LYS 61 3.740 -7.294 -30.806 410 HE3 LYS 61 HE3 LYS 61 3.178 -6.945 -32.439 411 HZ1 LYS 61 HZ1 LYS 61 6.056 -7.263 -32.022 412 HZ2 LYS 61 HZ2 LYS 61 5.108 -7.673 -33.361 413 HZ3 LYS 61 HZ3 LYS 61 5.098 -8.657 -31.986 414 H LEU 62 H LEU 62 0.851 -2.076 -27.979 415 HA LEU 62 HA LEU 62 -0.386 -4.068 -26.405 416 HB2 LEU 62 HB2 LEU 62 0.543 -2.140 -25.350 417 HB3 LEU 62 HB3 LEU 62 -0.482 -1.062 -26.295 418 HG LEU 62 HG LEU 62 -2.440 -2.223 -25.070 419 HD11 LEU 62 HD11 LEU 62 -1.191 -2.654 -22.641 420 HD12 LEU 62 HD12 LEU 62 -0.139 -3.454 -23.808 421 HD13 LEU 62 HD13 LEU 62 -1.846 -3.887 -23.718 422 HD21 LEU 62 HD21 LEU 62 -2.496 -0.484 -23.571 423 HD22 LEU 62 HD22 LEU 62 -1.335 0.128 -24.749 424 HD23 LEU 62 HD23 LEU 62 -0.767 -0.573 -23.233 425 H ASN 63 H ASN 63 -2.374 -4.885 -26.458 426 HA ASN 63 HA ASN 63 -4.362 -3.584 -28.188 427 HB2 ASN 63 HB2 ASN 63 -4.051 -6.447 -27.279 428 HB3 ASN 63 HB3 ASN 63 -5.493 -5.855 -28.100 429 HD21 ASN 63 HD21 ASN 63 -5.501 -6.386 -30.149 430 HD22 ASN 63 HD22 ASN 63 -4.131 -6.434 -31.201 431 H THR 64 H THR 64 -5.201 -2.103 -26.724 432 HA THR 64 HA THR 64 -5.884 -2.499 -24.082 433 HB THR 64 HB THR 64 -7.388 -0.634 -24.261 434 HG1 THR 64 HG1 THR 64 -8.542 -0.351 -26.007 435 HG21 THR 64 HG21 THR 64 -5.951 1.016 -25.169 436 HG22 THR 64 HG22 THR 64 -5.245 -0.124 -26.314 437 HG23 THR 64 HG23 THR 64 -4.898 -0.275 -24.592 438 H ASN 65 H ASN 65 -7.490 -3.636 -26.944 439 HA ASN 65 HA ASN 65 -10.034 -4.157 -25.845 440 HB2 ASN 65 HB2 ASN 65 -8.526 -5.044 -28.251 441 HB3 ASN 65 HB3 ASN 65 -9.904 -6.024 -27.760 442 HD21 ASN 65 HD21 ASN 65 -9.066 -3.717 -29.809 443 HD22 ASN 65 HD22 ASN 65 -10.545 -2.832 -29.934 444 H ASN 66 H ASN 66 -7.112 -6.141 -26.109 445 HA ASN 66 HA ASN 66 -8.320 -8.438 -24.895 446 HB2 ASN 66 HB2 ASN 66 -5.456 -7.721 -25.531 447 HB3 ASN 66 HB3 ASN 66 -5.917 -9.245 -24.777 448 HD21 ASN 66 HD21 ASN 66 -4.905 -8.179 -27.538 449 HD22 ASN 66 HD22 ASN 66 -5.836 -9.113 -28.654 450 H ALA 67 H ALA 67 -6.823 -5.569 -23.749 451 HA ALA 67 HA ALA 67 -5.995 -6.577 -21.202 452 HB1 ALA 67 HB1 ALA 67 -4.888 -4.657 -21.210 453 HB2 ALA 67 HB2 ALA 67 -5.769 -4.130 -22.645 454 HB3 ALA 67 HB3 ALA 67 -6.413 -3.788 -21.039 455 H ALA 68 H ALA 68 -8.878 -4.996 -22.459 456 HA ALA 68 HA ALA 68 -10.103 -4.644 -19.894 457 HB1 ALA 68 HB1 ALA 68 -11.974 -4.694 -22.096 458 HB2 ALA 68 HB2 ALA 68 -11.533 -3.366 -21.021 459 HB3 ALA 68 HB3 ALA 68 -10.569 -3.692 -22.462 460 H ALA 69 H ALA 69 -10.342 -7.023 -22.495 461 HA ALA 69 HA ALA 69 -12.377 -8.532 -21.083 462 HB1 ALA 69 HB1 ALA 69 -12.627 -8.476 -23.441 463 HB2 ALA 69 HB2 ALA 69 -10.954 -8.973 -23.697 464 HB3 ALA 69 HB3 ALA 69 -12.119 -10.113 -23.024 465 H LEU 70 H LEU 70 -9.061 -8.276 -20.917 466 HA LEU 70 HA LEU 70 -8.133 -10.884 -20.703 467 HB2 LEU 70 HB2 LEU 70 -6.417 -9.392 -20.655 468 HB3 LEU 70 HB3 LEU 70 -7.294 -8.252 -19.636 469 HG LEU 70 HG LEU 70 -6.838 -9.689 -17.683 470 HD11 LEU 70 HD11 LEU 70 -4.702 -11.249 -18.659 471 HD12 LEU 70 HD12 LEU 70 -6.087 -11.553 -19.707 472 HD13 LEU 70 HD13 LEU 70 -6.228 -11.799 -17.966 473 HD21 LEU 70 HD21 LEU 70 -4.784 -8.780 -17.315 474 HD22 LEU 70 HD22 LEU 70 -5.248 -7.849 -18.739 475 HD23 LEU 70 HD23 LEU 70 -4.171 -9.236 -18.905 476 HA PRO 71 HA PRO 71 -9.139 -10.775 -15.980 477 HB2 PRO 71 HB2 PRO 71 -10.670 -8.723 -15.077 478 HB3 PRO 71 HB3 PRO 71 -8.905 -8.647 -15.147 479 HG2 PRO 71 HG2 PRO 71 -10.926 -7.537 -17.056 480 HG3 PRO 71 HG3 PRO 71 -9.443 -6.788 -16.437 481 HD2 PRO 71 HD2 PRO 71 -9.586 -7.925 -18.890 482 HD3 PRO 71 HD3 PRO 71 -8.098 -7.927 -17.922 483 H GLY 72 H GLY 72 -11.523 -9.645 -18.288 484 HA2 GLY 72 HA2 GLY 72 -13.794 -10.701 -16.899 485 HA3 GLY 72 HA3 GLY 72 -13.757 -10.149 -18.567 486 H LYS 73 H LYS 73 -11.769 -11.855 -19.566 487 HA LYS 73 HA LYS 73 -13.320 -14.208 -20.018 488 HB2 LYS 73 HB2 LYS 73 -10.701 -13.152 -20.974 489 HB3 LYS 73 HB3 LYS 73 -11.015 -14.872 -21.165 490 HG2 LYS 73 HG2 LYS 73 -12.821 -14.505 -22.598 491 HG3 LYS 73 HG3 LYS 73 -12.974 -12.814 -22.116 492 HD2 LYS 73 HD2 LYS 73 -10.561 -12.612 -23.088 493 HD3 LYS 73 HD3 LYS 73 -10.987 -14.095 -23.945 494 HE2 LYS 73 HE2 LYS 73 -12.827 -11.736 -23.995 495 HE3 LYS 73 HE3 LYS 73 -11.426 -11.792 -25.064 496 HZ1 LYS 73 HZ1 LYS 73 -12.444 -14.189 -25.515 497 HZ2 LYS 73 HZ2 LYS 73 -12.903 -12.822 -26.399 498 HZ3 LYS 73 HZ3 LYS 73 -13.871 -13.369 -25.124 499 H CYS 74 H CYS 74 -10.894 -13.329 -17.761 500 HA CYS 74 HA CYS 74 -10.202 -16.095 -17.151 501 HB2 CYS 74 HB2 CYS 74 -9.193 -13.442 -16.131 502 HB3 CYS 74 HB3 CYS 74 -8.716 -14.974 -15.407 503 H GLY 75 H GLY 75 -12.879 -14.668 -16.628 504 HA2 GLY 75 HA2 GLY 75 -14.502 -14.673 -15.002 505 HA3 GLY 75 HA3 GLY 75 -13.658 -16.081 -14.373 506 H VAL 76 H VAL 76 -13.420 -12.528 -14.412 507 HA VAL 76 HA VAL 76 -12.713 -12.644 -11.559 508 HB VAL 76 HB VAL 76 -11.460 -10.703 -13.500 509 HG11 VAL 76 HG11 VAL 76 -11.589 -10.871 -10.641 510 HG12 VAL 76 HG12 VAL 76 -9.917 -11.040 -11.179 511 HG13 VAL 76 HG13 VAL 76 -10.859 -9.626 -11.654 512 HG21 VAL 76 HG21 VAL 76 -10.621 -13.420 -12.632 513 HG22 VAL 76 HG22 VAL 76 -10.405 -12.613 -14.185 514 HG23 VAL 76 HG23 VAL 76 -9.379 -12.181 -12.818 515 H ASN 77 H ASN 77 -13.456 -10.944 -10.288 516 HA ASN 77 HA ASN 77 -15.739 -9.532 -11.386 517 HB2 ASN 77 HB2 ASN 77 -14.641 -9.615 -8.567 518 HB3 ASN 77 HB3 ASN 77 -16.160 -8.864 -9.046 519 HD21 ASN 77 HD21 ASN 77 -17.608 -10.410 -10.342 520 HD22 ASN 77 HD22 ASN 77 -17.780 -11.996 -9.678 521 H ILE 78 H ILE 78 -15.378 -7.686 -12.427 522 HA ILE 78 HA ILE 78 -13.862 -5.590 -11.099 523 HB ILE 78 HB ILE 78 -13.183 -6.477 -13.906 524 HG12 ILE 78 HG12 ILE 78 -11.560 -6.526 -11.352 525 HG13 ILE 78 HG13 ILE 78 -12.203 -7.930 -12.197 526 HG21 ILE 78 HG21 ILE 78 -11.356 -4.574 -12.842 527 HG22 ILE 78 HG22 ILE 78 -12.390 -4.438 -14.263 528 HG23 ILE 78 HG23 ILE 78 -12.991 -3.932 -12.684 529 HD11 ILE 78 HD11 ILE 78 -9.772 -6.434 -12.662 530 HD12 ILE 78 HD12 ILE 78 -10.237 -8.044 -13.214 531 HD13 ILE 78 HD13 ILE 78 -10.733 -6.620 -14.129 532 HA PRO 79 HA PRO 79 -17.725 -4.090 -13.125 533 HB2 PRO 79 HB2 PRO 79 -18.427 -2.465 -11.066 534 HB3 PRO 79 HB3 PRO 79 -18.841 -4.183 -11.119 535 HG2 PRO 79 HG2 PRO 79 -16.609 -2.816 -9.665 536 HG3 PRO 79 HG3 PRO 79 -17.688 -4.105 -9.100 537 HD2 PRO 79 HD2 PRO 79 -15.167 -4.588 -9.962 538 HD3 PRO 79 HD3 PRO 79 -16.490 -5.752 -10.179 539 H TYR 80 H TYR 80 -14.773 -2.781 -12.150 540 HA TYR 80 HA TYR 80 -15.311 -0.020 -12.668 541 HB2 TYR 80 HB2 TYR 80 -12.834 -1.651 -12.230 542 HB3 TYR 80 HB3 TYR 80 -12.699 -0.003 -12.834 543 HD1 TYR 80 HD1 TYR 80 -13.963 -2.046 -10.011 544 HD2 TYR 80 HD2 TYR 80 -12.910 1.844 -11.378 545 HE1 TYR 80 HE1 TYR 80 -14.137 -1.197 -7.709 546 HE2 TYR 80 HE2 TYR 80 -13.080 2.703 -9.080 547 HH TYR 80 HH TYR 80 -12.882 1.146 -6.513 548 H LYS 81 H LYS 81 -15.278 1.061 -14.536 549 HA LYS 81 HA LYS 81 -15.235 -0.301 -17.008 550 HB2 LYS 81 HB2 LYS 81 -14.969 2.663 -16.467 551 HB3 LYS 81 HB3 LYS 81 -15.363 1.936 -18.019 552 HG2 LYS 81 HG2 LYS 81 -17.045 1.671 -15.537 553 HG3 LYS 81 HG3 LYS 81 -17.323 2.849 -16.822 554 HD2 LYS 81 HD2 LYS 81 -17.335 0.776 -18.379 555 HD3 LYS 81 HD3 LYS 81 -17.610 -0.132 -16.891 556 HE2 LYS 81 HE2 LYS 81 -19.744 0.336 -17.822 557 HE3 LYS 81 HE3 LYS 81 -19.545 1.404 -16.434 558 HZ1 LYS 81 HZ1 LYS 81 -20.355 2.247 -18.811 559 HZ2 LYS 81 HZ2 LYS 81 -18.688 2.461 -19.005 560 HZ3 LYS 81 HZ3 LYS 81 -19.497 3.229 -17.733 561 H ILE 82 H ILE 82 -13.479 -1.174 -17.885 562 HA ILE 82 HA ILE 82 -10.832 -0.472 -17.256 563 HB ILE 82 HB ILE 82 -12.049 -2.090 -19.470 564 HG12 ILE 82 HG12 ILE 82 -11.801 -2.933 -17.086 565 HG13 ILE 82 HG13 ILE 82 -11.078 -3.941 -18.336 566 HG21 ILE 82 HG21 ILE 82 -9.264 -1.064 -19.275 567 HG22 ILE 82 HG22 ILE 82 -9.516 -2.710 -19.851 568 HG23 ILE 82 HG23 ILE 82 -10.264 -1.356 -20.698 569 HD11 ILE 82 HD11 ILE 82 -8.886 -3.065 -17.806 570 HD12 ILE 82 HD12 ILE 82 -9.589 -1.984 -16.602 571 HD13 ILE 82 HD13 ILE 82 -9.651 -3.730 -16.363 572 H SER 83 H SER 83 -10.101 1.535 -17.623 573 HA SER 83 HA SER 83 -10.092 2.486 -20.392 574 HB2 SER 83 HB2 SER 83 -11.496 3.742 -18.154 575 HB3 SER 83 HB3 SER 83 -10.373 4.836 -18.962 576 HG SER 83 HG SER 83 -11.585 4.813 -20.699 577 H THR 84 H THR 84 -8.047 2.775 -20.944 578 HA THR 84 HA THR 84 -5.897 2.829 -19.138 579 HB THR 84 HB THR 84 -4.496 3.450 -21.061 580 HG1 THR 84 HG1 THR 84 -5.346 4.278 -22.841 581 HG21 THR 84 HG21 THR 84 -6.035 1.580 -22.558 582 HG22 THR 84 HG22 THR 84 -6.160 1.160 -20.849 583 HG23 THR 84 HG23 THR 84 -4.575 1.295 -21.610 584 H THR 85 H THR 85 -8.038 5.287 -20.113 585 HA THR 85 HA THR 85 -6.178 7.445 -19.480 586 HB THR 85 HB THR 85 -7.913 8.969 -20.208 587 HG1 THR 85 HG1 THR 85 -9.965 8.327 -20.564 588 HG21 THR 85 HG21 THR 85 -7.713 6.610 -22.084 589 HG22 THR 85 HG22 THR 85 -6.541 7.921 -21.949 590 HG23 THR 85 HG23 THR 85 -8.172 8.252 -22.532 591 H THR 86 H THR 86 -8.144 5.415 -17.787 592 HA THR 86 HA THR 86 -9.352 7.261 -15.961 593 HB THR 86 HB THR 86 -8.913 4.277 -15.776 594 HG1 THR 86 HG1 THR 86 -11.371 5.651 -16.089 595 HG21 THR 86 HG21 THR 86 -9.106 4.862 -13.538 596 HG22 THR 86 HG22 THR 86 -10.784 4.564 -13.993 597 HG23 THR 86 HG23 THR 86 -10.181 6.217 -13.880 598 H ASN 87 H ASN 87 -8.709 7.844 -13.916 599 HA ASN 87 HA ASN 87 -5.866 7.595 -13.379 600 HB2 ASN 87 HB2 ASN 87 -7.440 9.716 -13.134 601 HB3 ASN 87 HB3 ASN 87 -7.716 9.039 -11.532 602 HD21 ASN 87 HD21 ASN 87 -6.692 10.722 -10.491 603 HD22 ASN 87 HD22 ASN 87 -4.979 10.943 -10.540 604 H CYS 88 H CYS 88 -5.084 6.014 -12.167 605 HA CYS 88 HA CYS 88 -6.783 4.332 -10.590 606 HB2 CYS 88 HB2 CYS 88 -3.781 4.303 -10.451 607 HB3 CYS 88 HB3 CYS 88 -4.906 2.959 -10.287 608 H ASN 89 H ASN 89 -5.431 7.302 -10.011 609 HA ASN 89 HA ASN 89 -4.714 6.922 -7.247 610 HB2 ASN 89 HB2 ASN 89 -5.212 9.544 -8.664 611 HB3 ASN 89 HB3 ASN 89 -4.254 9.274 -7.211 612 HD21 ASN 89 HD21 ASN 89 -2.148 9.027 -7.445 613 HD22 ASN 89 HD22 ASN 89 -1.329 8.690 -8.929 614 H THR 90 H THR 90 -7.583 7.564 -9.006 615 HA THR 90 HA THR 90 -8.973 8.636 -6.669 616 HB THR 90 HB THR 90 -10.835 9.082 -8.125 617 HG1 THR 90 HG1 THR 90 -11.018 8.216 -10.113 618 HG21 THR 90 HG21 THR 90 -8.190 9.787 -9.395 619 HG22 THR 90 HG22 THR 90 -9.116 10.750 -8.244 620 HG23 THR 90 HG23 THR 90 -9.732 10.493 -9.876 621 H VAL 91 H VAL 91 -8.021 5.743 -7.199 622 HA VAL 91 HA VAL 91 -10.585 4.345 -6.998 623 HB VAL 91 HB VAL 91 -9.478 2.351 -7.497 624 HG11 VAL 91 HG11 VAL 91 -8.101 2.830 -9.472 625 HG12 VAL 91 HG12 VAL 91 -9.547 3.840 -9.420 626 HG13 VAL 91 HG13 VAL 91 -7.981 4.516 -8.971 627 HG21 VAL 91 HG21 VAL 91 -6.783 2.621 -7.576 628 HG22 VAL 91 HG22 VAL 91 -7.183 3.673 -6.218 629 HG23 VAL 91 HG23 VAL 91 -7.677 1.980 -6.197 630 H LYS 92 H LYS 92 -9.122 6.018 -4.869 631 HA LYS 92 HA LYS 92 -8.394 4.185 -2.808 632 HB2 LYS 92 HB2 LYS 92 -8.492 6.217 -1.342 633 HB3 LYS 92 HB3 LYS 92 -7.447 6.382 -2.747 634 HG2 LYS 92 HG2 LYS 92 -9.903 7.306 -3.628 635 HG3 LYS 92 HG3 LYS 92 -9.773 7.918 -1.977 636 HD2 LYS 92 HD2 LYS 92 -7.481 8.175 -3.890 637 HD3 LYS 92 HD3 LYS 92 -8.813 9.333 -3.919 638 HE2 LYS 92 HE2 LYS 92 -8.415 9.635 -1.434 639 HE3 LYS 92 HE3 LYS 92 -6.920 8.728 -1.658 640 HZ1 LYS 92 HZ1 LYS 92 -6.767 11.237 -1.762 641 HZ2 LYS 92 HZ2 LYS 92 -7.544 11.134 -3.261 642 HZ3 LYS 92 HZ3 LYS 92 -6.044 10.386 -3.033 643 H PHE 93 H PHE 93 -9.902 2.798 -2.095 644 HA PHE 93 HA PHE 93 -12.665 3.582 -1.807 645 HB2 PHE 93 HB2 PHE 93 -12.337 1.348 -2.535 646 HB3 PHE 93 HB3 PHE 93 -11.161 1.026 -1.266 647 HD1 PHE 93 HD1 PHE 93 -14.744 1.619 -1.933 648 HD2 PHE 93 HD2 PHE 93 -11.832 0.238 0.847 649 HE1 PHE 93 HE1 PHE 93 -16.536 0.709 -0.513 650 HE2 PHE 93 HE2 PHE 93 -13.619 -0.675 2.271 651 HZ PHE 93 HZ PHE 93 -15.974 -0.441 1.592 652 HC11 PGM 101 H11 PPG 103 9.407 -8.421 -21.170 653 HC12 PGM 101 H12 PPG 103 8.904 -8.671 -22.708 654 HO1 PGM 101 H1 PPG 103 10.707 -10.236 -21.238 655 HC2 PGM 101 H2A PPG 103 11.733 -8.111 -22.262 656 HO2 PGM 101 H2 PPG 103 10.609 -8.891 -24.297 657 HC31 PGM 101 H31 PPG 103 9.470 -6.258 -22.530 658 HC32 PGM 101 H32 PPG 103 11.006 -5.774 -22.843 659 HC71 PGM 101 H91 PPG 103 8.786 -5.205 -18.308 660 HC72 PGM 101 H92 PPG 103 8.962 -6.431 -19.361 661 HC8 PGM 101 H10A PPG 103 6.983 -6.755 -18.084 662 HO8 PGM 101 H10 PPG 103 5.423 -6.533 -20.025 663 HC91 PGM 101 H111 PPG 103 6.374 -4.112 -19.185 664 HC92 PGM 101 H112 PPG 103 6.278 -4.531 -17.615 665 HCB1 PGM 101 H151 PPG 103 2.289 -5.471 -19.436 666 HCB2 PGM 101 H152 PPG 103 2.294 -4.467 -20.720 667 HCC1 PGM 101 H161 PPG 103 1.753 -2.626 -19.379 668 HCC2 PGM 101 H162 PPG 103 2.065 -3.458 -18.012 669 HCD1 PGM 101 H171 PPG 103 0.222 -4.822 -18.298 670 HCD2 PGM 101 H172 PPG 103 0.054 -4.370 -19.851 671 HCE1 PGM 101 H181 PPG 103 -0.976 -2.445 -19.312 672 HCE2 PGM 101 H182 PPG 103 -0.296 -2.390 -17.834 673 HCF1 PGM 101 H191 PPG 103 -2.342 -2.869 -17.230 674 HCF2 PGM 101 H192 PPG 103 -1.782 -4.386 -17.437 675 HCG1 PGM 101 H201 PPG 103 -3.670 -4.638 -18.529 676 HCG2 PGM 101 H202 PPG 103 -2.793 -4.039 -19.762 677 HCH1 PGM 101 H211 PPG 103 -4.549 -2.658 -19.929 678 HCH2 PGM 101 H212 PPG 103 -3.709 -1.808 -18.814 679 HCI1 PGM 101 H221 PPG 103 -5.432 -3.946 -17.930 680 HCI2 PGM 101 H222 PPG 103 -6.089 -2.477 -18.231 681 HCJ1 PGM 101 H231 PPG 103 -4.013 -1.909 -16.679 682 HCJ2 PGM 101 H232 PPG 103 -4.604 -3.286 -16.019 683 HCK1 PGM 101 H241 PPG 103 -6.587 -1.365 -16.537 684 HCK2 PGM 101 H242 PPG 103 -5.504 -0.885 -15.414 685 HCL1 PGM 101 H251 PPG 103 -6.731 -3.493 -15.175 686 HCL2 PGM 101 H252 PPG 103 -7.484 -2.181 -14.554 687 HCM1 PGM 101 H261 PPG 103 -5.829 -1.827 -13.004 688 HCM2 PGM 101 H262 PPG 103 -4.675 -2.474 -13.956 689 HCN1 PGM 101 H271 PPG 103 -6.038 -4.609 -13.673 690 HCN2 PGM 101 H272 PPG 103 -6.592 -3.875 -12.328 691 HCO1 PGM 101 H281 PPG 103 -4.535 -3.775 -11.382 692 HCO2 PGM 101 H282 PPG 103 -3.770 -3.927 -12.823 693 HCP1 PGM 101 H291 PPG 103 -3.327 -5.790 -11.468 694 HCP2 PGM 101 H292 PPG 103 -4.926 -6.100 -11.354 695 HCP3 PGM 101 H293 PPG 103 -4.174 -6.253 -12.790 Start of MODEL 16 1 H ALA 1 H ALA 1 3.024 1.101 0.229 2 HA ALA 1 HA ALA 1 1.654 0.149 -2.045 3 HB1 ALA 1 HB1 ALA 1 3.447 1.130 -3.336 4 HB2 ALA 1 HB2 ALA 1 3.006 2.210 -2.012 5 HB3 ALA 1 HB3 ALA 1 4.466 1.227 -1.900 6 H ILE 2 H ILE 2 2.180 -1.432 -3.550 7 HA ILE 2 HA ILE 2 3.611 -3.703 -2.473 8 HB ILE 2 HB ILE 2 2.819 -4.922 -4.413 9 HG12 ILE 2 HG12 ILE 2 1.741 -2.262 -5.373 10 HG13 ILE 2 HG13 ILE 2 3.095 -3.134 -6.082 11 HG21 ILE 2 HG21 ILE 2 1.301 -4.189 -2.407 12 HG22 ILE 2 HG22 ILE 2 0.450 -3.281 -3.655 13 HG23 ILE 2 HG23 ILE 2 0.611 -5.032 -3.794 14 HD11 ILE 2 HD11 ILE 2 1.621 -4.943 -6.726 15 HD12 ILE 2 HD12 ILE 2 0.258 -4.127 -5.959 16 HD13 ILE 2 HD13 ILE 2 1.037 -3.407 -7.368 17 H SER 3 H SER 3 4.766 -4.960 -4.507 18 HA SER 3 HA SER 3 7.037 -3.233 -5.125 19 HB2 SER 3 HB2 SER 3 6.616 -6.206 -5.065 20 HB3 SER 3 HB3 SER 3 7.984 -5.524 -5.943 21 HG SER 3 HG SER 3 8.940 -5.197 -4.109 22 H CYS 4 H CYS 4 7.003 -2.176 -6.988 23 HA CYS 4 HA CYS 4 5.282 -2.596 -9.114 24 HB2 CYS 4 HB2 CYS 4 7.007 -0.654 -8.533 25 HB3 CYS 4 HB3 CYS 4 7.999 -1.518 -9.704 26 H GLY 5 H GLY 5 8.339 -4.120 -8.394 27 HA2 GLY 5 HA2 GLY 5 8.836 -5.213 -10.963 28 HA3 GLY 5 HA3 GLY 5 9.519 -5.787 -9.449 29 H ALA 6 H ALA 6 6.784 -6.202 -8.331 30 HA ALA 6 HA ALA 6 6.423 -8.879 -9.382 31 HB1 ALA 6 HB1 ALA 6 4.754 -7.643 -7.219 32 HB2 ALA 6 HB2 ALA 6 5.177 -9.338 -7.466 33 HB3 ALA 6 HB3 ALA 6 6.399 -8.197 -6.906 34 H VAL 7 H VAL 7 4.960 -5.781 -9.697 35 HA VAL 7 HA VAL 7 2.340 -6.580 -10.409 36 HB VAL 7 HB VAL 7 3.808 -4.087 -11.277 37 HG11 VAL 7 HG11 VAL 7 1.677 -4.723 -12.484 38 HG12 VAL 7 HG12 VAL 7 0.843 -4.477 -10.948 39 HG13 VAL 7 HG13 VAL 7 1.690 -3.134 -11.718 40 HG21 VAL 7 HG21 VAL 7 3.001 -3.009 -9.330 41 HG22 VAL 7 HG22 VAL 7 1.974 -4.380 -8.908 42 HG23 VAL 7 HG23 VAL 7 3.728 -4.523 -8.788 43 H THR 8 H THR 8 5.111 -5.598 -12.425 44 HA THR 8 HA THR 8 3.814 -6.294 -14.870 45 HB THR 8 HB THR 8 5.972 -5.893 -15.938 46 HG1 THR 8 HG1 THR 8 7.114 -5.361 -13.406 47 HG21 THR 8 HG21 THR 8 5.638 -3.692 -15.773 48 HG22 THR 8 HG22 THR 8 6.183 -3.676 -14.096 49 HG23 THR 8 HG23 THR 8 4.497 -4.031 -14.472 50 H SER 9 H SER 9 6.079 -7.906 -12.712 51 HA SER 9 HA SER 9 6.808 -10.039 -14.370 52 HB2 SER 9 HB2 SER 9 6.803 -9.544 -11.435 53 HB3 SER 9 HB3 SER 9 6.966 -11.216 -11.971 54 HG SER 9 HG SER 9 8.691 -10.353 -13.382 55 H ASP 10 H ASP 10 4.105 -9.690 -12.110 56 HA ASP 10 HA ASP 10 3.090 -12.290 -12.312 57 HB2 ASP 10 HB2 ASP 10 1.760 -9.653 -11.699 58 HB3 ASP 10 HB3 ASP 10 0.888 -11.183 -11.655 59 H LEU 11 H LEU 11 3.024 -9.667 -14.534 60 HA LEU 11 HA LEU 11 0.966 -11.002 -16.154 61 HB2 LEU 11 HB2 LEU 11 2.035 -8.195 -16.131 62 HB3 LEU 11 HB3 LEU 11 1.077 -8.819 -17.472 63 HG LEU 11 HG LEU 11 0.191 -8.427 -14.618 64 HD11 LEU 11 HD11 LEU 11 0.257 -6.672 -16.746 65 HD12 LEU 11 HD12 LEU 11 -0.747 -6.528 -15.303 66 HD13 LEU 11 HD13 LEU 11 -1.399 -7.281 -16.759 67 HD21 LEU 11 HD21 LEU 11 -1.006 -10.308 -15.092 68 HD22 LEU 11 HD22 LEU 11 -0.960 -10.036 -16.834 69 HD23 LEU 11 HD23 LEU 11 -2.066 -9.103 -15.824 70 H SER 12 H SER 12 3.987 -11.532 -15.826 71 HA SER 12 HA SER 12 5.357 -10.903 -18.158 72 HB2 SER 12 HB2 SER 12 6.813 -11.869 -16.697 73 HB3 SER 12 HB3 SER 12 5.598 -12.975 -16.057 74 HG SER 12 HG SER 12 6.895 -14.284 -17.187 75 HA PRO 13 HA PRO 13 3.801 -15.042 -20.103 76 HB2 PRO 13 HB2 PRO 13 1.815 -16.361 -18.805 77 HB3 PRO 13 HB3 PRO 13 3.529 -16.650 -18.484 78 HG2 PRO 13 HG2 PRO 13 1.573 -14.971 -16.961 79 HG3 PRO 13 HG3 PRO 13 2.805 -16.088 -16.346 80 HD2 PRO 13 HD2 PRO 13 3.167 -13.406 -16.399 81 HD3 PRO 13 HD3 PRO 13 4.505 -14.554 -16.605 82 H CYS 14 H CYS 14 1.774 -12.679 -18.662 83 HA CYS 14 HA CYS 14 -0.472 -13.183 -20.433 84 HB2 CYS 14 HB2 CYS 14 -0.008 -10.959 -18.434 85 HB3 CYS 14 HB3 CYS 14 -1.513 -11.263 -19.296 86 H LEU 15 H LEU 15 2.290 -11.078 -20.202 87 HA LEU 15 HA LEU 15 1.653 -8.930 -21.750 88 HB2 LEU 15 HB2 LEU 15 3.893 -9.633 -20.671 89 HB3 LEU 15 HB3 LEU 15 4.222 -10.396 -22.226 90 HG LEU 15 HG LEU 15 4.079 -8.241 -23.339 91 HD11 LEU 15 HD11 LEU 15 3.184 -7.338 -20.644 92 HD12 LEU 15 HD12 LEU 15 2.555 -6.926 -22.238 93 HD13 LEU 15 HD13 LEU 15 4.070 -6.219 -21.680 94 HD21 LEU 15 HD21 LEU 15 5.994 -8.856 -21.229 95 HD22 LEU 15 HD22 LEU 15 5.917 -7.139 -21.623 96 HD23 LEU 15 HD23 LEU 15 6.265 -8.319 -22.887 97 H THR 16 H THR 16 2.482 -12.176 -22.881 98 HA THR 16 HA THR 16 2.638 -11.710 -25.607 99 HB THR 16 HB THR 16 1.538 -14.148 -24.197 100 HG1 THR 16 HG1 THR 16 3.624 -14.070 -23.635 101 HG21 THR 16 HG21 THR 16 1.603 -13.496 -26.980 102 HG22 THR 16 HG22 THR 16 1.050 -14.980 -26.204 103 HG23 THR 16 HG23 THR 16 2.742 -14.805 -26.669 104 H TYR 17 H TYR 17 -0.239 -13.002 -23.933 105 HA TYR 17 HA TYR 17 -1.987 -12.620 -26.095 106 HB2 TYR 17 HB2 TYR 17 -2.624 -14.144 -24.376 107 HB3 TYR 17 HB3 TYR 17 -2.484 -12.907 -23.132 108 HD1 TYR 17 HD1 TYR 17 -4.430 -13.760 -26.194 109 HD2 TYR 17 HD2 TYR 17 -4.373 -11.725 -22.458 110 HE1 TYR 17 HE1 TYR 17 -6.822 -13.249 -26.444 111 HE2 TYR 17 HE2 TYR 17 -6.766 -11.209 -22.697 112 HH TYR 17 HH TYR 17 -8.570 -12.160 -25.601 113 H LEU 18 H LEU 18 -0.968 -10.497 -23.511 114 HA LEU 18 HA LEU 18 -2.990 -8.524 -23.916 115 HB2 LEU 18 HB2 LEU 18 -0.313 -8.445 -22.542 116 HB3 LEU 18 HB3 LEU 18 -1.420 -7.074 -22.584 117 HG LEU 18 HG LEU 18 -1.906 -9.744 -21.268 118 HD11 LEU 18 HD11 LEU 18 -1.971 -8.377 -19.213 119 HD12 LEU 18 HD12 LEU 18 -1.480 -6.974 -20.160 120 HD13 LEU 18 HD13 LEU 18 -0.394 -8.355 -20.004 121 HD21 LEU 18 HD21 LEU 18 -3.842 -7.886 -20.482 122 HD22 LEU 18 HD22 LEU 18 -4.076 -9.323 -21.476 123 HD23 LEU 18 HD23 LEU 18 -3.753 -7.766 -22.239 124 H THR 19 H THR 19 -0.060 -9.315 -25.508 125 HA THR 19 HA THR 19 0.096 -6.686 -26.796 126 HB THR 19 HB THR 19 2.227 -7.552 -27.781 127 HG1 THR 19 HG1 THR 19 2.177 -9.641 -25.900 128 HG21 THR 19 HG21 THR 19 2.969 -7.983 -25.073 129 HG22 THR 19 HG22 THR 19 1.681 -6.778 -25.097 130 HG23 THR 19 HG23 THR 19 3.150 -6.519 -26.038 131 H GLY 20 H GLY 20 -2.016 -8.704 -27.344 132 HA2 GLY 20 HA2 GLY 20 -3.218 -9.033 -29.328 133 HA3 GLY 20 HA3 GLY 20 -1.771 -8.638 -30.244 134 H GLY 21 H GLY 21 -0.689 -10.745 -28.031 135 HA2 GLY 21 HA2 GLY 21 -0.487 -12.880 -29.918 136 HA3 GLY 21 HA3 GLY 21 0.076 -12.907 -28.253 137 HA PRO 22 HA PRO 22 -3.706 -15.657 -28.844 138 HB2 PRO 22 HB2 PRO 22 -2.484 -18.004 -28.240 139 HB3 PRO 22 HB3 PRO 22 -2.568 -17.361 -29.884 140 HG2 PRO 22 HG2 PRO 22 -0.317 -17.236 -27.914 141 HG3 PRO 22 HG3 PRO 22 -0.265 -17.582 -29.653 142 HD2 PRO 22 HD2 PRO 22 0.356 -15.153 -28.631 143 HD3 PRO 22 HD3 PRO 22 -0.394 -15.353 -30.227 144 H GLY 23 H GLY 23 -4.928 -16.511 -27.160 145 HA2 GLY 23 HA2 GLY 23 -4.473 -17.506 -24.777 146 HA3 GLY 23 HA3 GLY 23 -3.919 -15.864 -24.486 147 HA PRO 24 HA PRO 24 -4.411 -15.228 -22.684 148 HB2 PRO 24 HB2 PRO 24 -5.698 -15.639 -20.329 149 HB3 PRO 24 HB3 PRO 24 -5.751 -14.100 -21.197 150 HG2 PRO 24 HG2 PRO 24 -7.768 -16.312 -21.136 151 HG3 PRO 24 HG3 PRO 24 -8.026 -14.560 -21.046 152 HD2 PRO 24 HD2 PRO 24 -8.390 -15.971 -23.328 153 HD3 PRO 24 HD3 PRO 24 -7.828 -14.287 -23.326 154 H SER 25 H SER 25 -2.958 -16.743 -22.183 155 HA SER 25 HA SER 25 -3.553 -19.506 -22.385 156 HB2 SER 25 HB2 SER 25 -1.285 -19.842 -22.272 157 HB3 SER 25 HB3 SER 25 -1.289 -18.128 -22.687 158 HG SER 25 HG SER 25 -0.135 -19.178 -20.638 159 HA PRO 26 HA PRO 26 -4.566 -20.728 -18.296 160 HB2 PRO 26 HB2 PRO 26 -3.156 -23.026 -17.976 161 HB3 PRO 26 HB3 PRO 26 -4.567 -22.904 -19.034 162 HG2 PRO 26 HG2 PRO 26 -1.658 -22.806 -19.736 163 HG3 PRO 26 HG3 PRO 26 -2.980 -23.654 -20.559 164 HD2 PRO 26 HD2 PRO 26 -1.996 -21.290 -21.439 165 HD3 PRO 26 HD3 PRO 26 -3.699 -21.750 -21.639 166 H GLN 27 H GLN 27 -1.133 -20.552 -19.046 167 HA GLN 27 HA GLN 27 -0.285 -20.604 -16.307 168 HB2 GLN 27 HB2 GLN 27 1.230 -19.700 -18.762 169 HB3 GLN 27 HB3 GLN 27 1.927 -20.073 -17.191 170 HG2 GLN 27 HG2 GLN 27 1.303 -22.390 -17.415 171 HG3 GLN 27 HG3 GLN 27 0.471 -22.048 -18.931 172 HE21 GLN 27 HE21 GLN 27 1.777 -21.287 -20.722 173 HE22 GLN 27 HE22 GLN 27 3.415 -21.818 -20.859 174 H CYS 28 H CYS 28 -1.233 -18.162 -18.593 175 HA CYS 28 HA CYS 28 -0.103 -15.945 -17.193 176 HB2 CYS 28 HB2 CYS 28 -0.493 -15.355 -19.374 177 HB3 CYS 28 HB3 CYS 28 -1.964 -16.316 -19.483 178 H CYS 29 H CYS 29 -3.408 -17.239 -17.460 179 HA CYS 29 HA CYS 29 -4.749 -15.452 -15.856 180 HB2 CYS 29 HB2 CYS 29 -5.128 -18.397 -16.329 181 HB3 CYS 29 HB3 CYS 29 -6.193 -17.514 -15.240 182 H GLY 30 H GLY 30 -2.677 -18.125 -14.901 183 HA2 GLY 30 HA2 GLY 30 -3.318 -18.346 -12.210 184 HA3 GLY 30 HA3 GLY 30 -1.721 -18.646 -12.880 185 H GLY 31 H GLY 31 -1.067 -16.082 -13.764 186 HA2 GLY 31 HA2 GLY 31 -0.262 -14.898 -11.278 187 HA3 GLY 31 HA3 GLY 31 0.101 -14.293 -12.888 188 H VAL 32 H VAL 32 -2.527 -13.999 -13.847 189 HA VAL 32 HA VAL 32 -3.165 -11.430 -13.095 190 HB VAL 32 HB VAL 32 -5.077 -13.532 -14.122 191 HG11 VAL 32 HG11 VAL 32 -6.240 -11.610 -13.153 192 HG12 VAL 32 HG12 VAL 32 -5.295 -10.523 -14.173 193 HG13 VAL 32 HG13 VAL 32 -6.428 -11.660 -14.905 194 HG21 VAL 32 HG21 VAL 32 -3.032 -13.111 -15.503 195 HG22 VAL 32 HG22 VAL 32 -4.555 -12.750 -16.317 196 HG23 VAL 32 HG23 VAL 32 -3.566 -11.439 -15.675 197 H LYS 33 H LYS 33 -4.491 -14.461 -11.821 198 HA LYS 33 HA LYS 33 -6.378 -13.282 -10.085 199 HB2 LYS 33 HB2 LYS 33 -4.990 -15.963 -9.922 200 HB3 LYS 33 HB3 LYS 33 -6.374 -15.491 -8.944 201 HG2 LYS 33 HG2 LYS 33 -7.839 -15.743 -10.647 202 HG3 LYS 33 HG3 LYS 33 -6.674 -15.237 -11.873 203 HD2 LYS 33 HD2 LYS 33 -5.553 -17.393 -11.720 204 HD3 LYS 33 HD3 LYS 33 -6.668 -17.899 -10.448 205 HE2 LYS 33 HE2 LYS 33 -8.408 -17.168 -12.388 206 HE3 LYS 33 HE3 LYS 33 -7.056 -17.741 -13.363 207 HZ1 LYS 33 HZ1 LYS 33 -8.167 -19.339 -11.136 208 HZ2 LYS 33 HZ2 LYS 33 -7.181 -19.858 -12.408 209 HZ3 LYS 33 HZ3 LYS 33 -8.792 -19.437 -12.705 210 H LYS 34 H LYS 34 -3.049 -14.395 -9.567 211 HA LYS 34 HA LYS 34 -2.914 -13.881 -6.815 212 HB2 LYS 34 HB2 LYS 34 -1.231 -15.223 -7.924 213 HB3 LYS 34 HB3 LYS 34 -0.741 -13.856 -8.915 214 HG2 LYS 34 HG2 LYS 34 0.415 -12.859 -7.220 215 HG3 LYS 34 HG3 LYS 34 -0.595 -13.574 -5.961 216 HD2 LYS 34 HD2 LYS 34 1.236 -15.246 -7.657 217 HD3 LYS 34 HD3 LYS 34 1.809 -14.434 -6.199 218 HE2 LYS 34 HE2 LYS 34 0.196 -15.618 -4.854 219 HE3 LYS 34 HE3 LYS 34 -0.529 -16.336 -6.291 220 HZ1 LYS 34 HZ1 LYS 34 1.578 -17.324 -4.763 221 HZ2 LYS 34 HZ2 LYS 34 2.224 -16.902 -6.268 222 HZ3 LYS 34 HZ3 LYS 34 0.925 -17.982 -6.179 223 H LEU 35 H LEU 35 -2.269 -11.811 -9.604 224 HA LEU 35 HA LEU 35 -1.266 -9.608 -8.137 225 HB2 LEU 35 HB2 LEU 35 -0.784 -9.722 -10.452 226 HB3 LEU 35 HB3 LEU 35 -2.490 -9.862 -10.870 227 HG LEU 35 HG LEU 35 -2.872 -7.554 -10.333 228 HD11 LEU 35 HD11 LEU 35 -1.665 -6.684 -8.674 229 HD12 LEU 35 HD12 LEU 35 -0.420 -6.387 -9.887 230 HD13 LEU 35 HD13 LEU 35 -0.359 -7.847 -8.900 231 HD21 LEU 35 HD21 LEU 35 -0.591 -8.217 -12.135 232 HD22 LEU 35 HD22 LEU 35 -1.005 -6.525 -11.858 233 HD23 LEU 35 HD23 LEU 35 -2.207 -7.629 -12.529 234 H LEU 36 H LEU 36 -4.481 -10.248 -9.529 235 HA LEU 36 HA LEU 36 -5.698 -7.914 -8.520 236 HB2 LEU 36 HB2 LEU 36 -6.817 -10.565 -9.393 237 HB3 LEU 36 HB3 LEU 36 -7.836 -9.221 -8.883 238 HG LEU 36 HG LEU 36 -5.910 -9.096 -11.199 239 HD11 LEU 36 HD11 LEU 36 -7.762 -10.757 -11.498 240 HD12 LEU 36 HD12 LEU 36 -7.752 -9.434 -12.663 241 HD13 LEU 36 HD13 LEU 36 -8.900 -9.421 -11.324 242 HD21 LEU 36 HD21 LEU 36 -7.185 -7.090 -11.788 243 HD22 LEU 36 HD22 LEU 36 -6.427 -6.935 -10.203 244 HD23 LEU 36 HD23 LEU 36 -8.153 -7.278 -10.325 245 H ALA 37 H ALA 37 -5.038 -11.023 -7.111 246 HA ALA 37 HA ALA 37 -6.874 -10.931 -4.972 247 HB1 ALA 37 HB1 ALA 37 -5.772 -12.993 -5.625 248 HB2 ALA 37 HB2 ALA 37 -4.208 -12.330 -5.148 249 HB3 ALA 37 HB3 ALA 37 -5.446 -12.632 -3.929 250 H ALA 38 H ALA 38 -3.792 -9.416 -5.496 251 HA ALA 38 HA ALA 38 -3.443 -8.700 -2.710 252 HB1 ALA 38 HB1 ALA 38 -1.549 -7.268 -3.837 253 HB2 ALA 38 HB2 ALA 38 -1.379 -9.014 -3.651 254 HB3 ALA 38 HB3 ALA 38 -1.861 -8.336 -5.206 255 H ALA 39 H ALA 39 -4.314 -7.107 -5.748 256 HA ALA 39 HA ALA 39 -4.651 -4.541 -4.453 257 HB1 ALA 39 HB1 ALA 39 -5.239 -5.435 -7.272 258 HB2 ALA 39 HB2 ALA 39 -5.370 -3.776 -6.687 259 HB3 ALA 39 HB3 ALA 39 -3.801 -4.580 -6.714 260 H ASN 40 H ASN 40 -6.253 -5.297 -2.892 261 HA ASN 40 HA ASN 40 -8.955 -5.131 -4.017 262 HB2 ASN 40 HB2 ASN 40 -9.741 -6.893 -2.481 263 HB3 ASN 40 HB3 ASN 40 -8.544 -7.507 -3.619 264 HD21 ASN 40 HD21 ASN 40 -9.426 -7.240 -0.395 265 HD22 ASN 40 HD22 ASN 40 -7.956 -7.799 0.320 266 H THR 41 H THR 41 -6.825 -3.640 -2.212 267 HA THR 41 HA THR 41 -8.682 -2.934 -0.041 268 HB THR 41 HB THR 41 -6.376 -1.688 0.660 269 HG1 THR 41 HG1 THR 41 -4.808 -2.506 -0.495 270 HG21 THR 41 HG21 THR 41 -6.215 -4.408 1.561 271 HG22 THR 41 HG22 THR 41 -7.900 -3.889 1.529 272 HG23 THR 41 HG23 THR 41 -6.711 -2.970 2.451 273 H THR 42 H THR 42 -6.030 -1.131 -1.566 274 HA THR 42 HA THR 42 -7.566 0.708 -2.994 275 HB THR 42 HB THR 42 -7.229 1.351 -0.111 276 HG1 THR 42 HG1 THR 42 -9.146 1.659 -2.145 277 HG21 THR 42 HG21 THR 42 -7.476 3.826 -0.815 278 HG22 THR 42 HG22 THR 42 -6.777 3.299 -2.347 279 HG23 THR 42 HG23 THR 42 -5.870 3.098 -0.848 280 HA PRO 43 HA PRO 43 -3.135 2.522 -2.304 281 HB2 PRO 43 HB2 PRO 43 -1.523 1.214 -0.555 282 HB3 PRO 43 HB3 PRO 43 -2.597 2.531 -0.070 283 HG2 PRO 43 HG2 PRO 43 -2.996 -0.426 0.173 284 HG3 PRO 43 HG3 PRO 43 -3.348 0.851 1.352 285 HD2 PRO 43 HD2 PRO 43 -5.266 -0.273 -0.194 286 HD3 PRO 43 HD3 PRO 43 -5.333 1.422 0.330 287 H ASP 44 H ASP 44 -3.779 -0.885 -2.357 288 HA ASP 44 HA ASP 44 -1.301 -1.580 -3.670 289 HB2 ASP 44 HB2 ASP 44 -3.686 -3.040 -2.676 290 HB3 ASP 44 HB3 ASP 44 -2.820 -3.773 -4.024 291 H ARG 45 H ARG 45 -4.627 -0.921 -4.566 292 HA ARG 45 HA ARG 45 -4.405 -1.830 -7.256 293 HB2 ARG 45 HB2 ARG 45 -6.356 0.203 -6.166 294 HB3 ARG 45 HB3 ARG 45 -6.545 -0.787 -7.607 295 HG2 ARG 45 HG2 ARG 45 -6.100 -2.488 -5.359 296 HG3 ARG 45 HG3 ARG 45 -7.396 -1.349 -4.987 297 HD2 ARG 45 HD2 ARG 45 -7.230 -3.237 -7.329 298 HD3 ARG 45 HD3 ARG 45 -8.366 -3.301 -5.982 299 HE ARG 45 HE ARG 45 -8.879 -0.889 -7.047 300 HH11 ARG 45 HH11 ARG 45 -8.579 -4.056 -8.461 301 HH12 ARG 45 HH12 ARG 45 -9.693 -3.731 -9.747 302 HH21 ARG 45 HH21 ARG 45 -10.348 -0.448 -8.736 303 HH22 ARG 45 HH22 ARG 45 -10.698 -1.678 -9.903 304 H GLN 46 H GLN 46 -4.185 1.359 -5.716 305 HA GLN 46 HA GLN 46 -3.915 2.921 -7.998 306 HB2 GLN 46 HB2 GLN 46 -2.603 3.324 -5.304 307 HB3 GLN 46 HB3 GLN 46 -2.781 4.557 -6.545 308 HG2 GLN 46 HG2 GLN 46 -5.102 4.661 -6.270 309 HG3 GLN 46 HG3 GLN 46 -5.151 3.138 -5.384 310 HE21 GLN 46 HE21 GLN 46 -5.971 6.002 -4.799 311 HE22 GLN 46 HE22 GLN 46 -5.294 6.317 -3.241 312 H ALA 47 H ALA 47 -1.296 1.597 -5.968 313 HA ALA 47 HA ALA 47 0.806 2.392 -7.656 314 HB1 ALA 47 HB1 ALA 47 2.032 0.467 -6.429 315 HB2 ALA 47 HB2 ALA 47 1.476 1.863 -5.504 316 HB3 ALA 47 HB3 ALA 47 0.552 0.361 -5.475 317 H ALA 48 H ALA 48 -0.691 -0.825 -7.268 318 HA ALA 48 HA ALA 48 0.694 -2.222 -9.179 319 HB1 ALA 48 HB1 ALA 48 -2.259 -2.496 -8.635 320 HB2 ALA 48 HB2 ALA 48 -1.189 -3.726 -9.309 321 HB3 ALA 48 HB3 ALA 48 -0.979 -3.192 -7.641 322 H CYS 49 H CYS 49 -2.220 -0.245 -9.672 323 HA CYS 49 HA CYS 49 -2.450 -0.728 -12.441 324 HB2 CYS 49 HB2 CYS 49 -4.240 0.217 -10.943 325 HB3 CYS 49 HB3 CYS 49 -3.365 1.745 -10.963 326 H ASN 50 H ASN 50 -1.389 2.280 -10.838 327 HA ASN 50 HA ASN 50 -0.434 3.640 -12.999 328 HB2 ASN 50 HB2 ASN 50 0.779 3.538 -10.229 329 HB3 ASN 50 HB3 ASN 50 1.145 4.765 -11.438 330 HD21 ASN 50 HD21 ASN 50 -0.138 4.847 -8.735 331 HD22 ASN 50 HD22 ASN 50 -1.619 5.701 -8.983 332 H CYS 51 H CYS 51 1.285 1.176 -11.124 333 HA CYS 51 HA CYS 51 3.790 1.346 -12.278 334 HB2 CYS 51 HB2 CYS 51 2.227 -0.833 -10.989 335 HB3 CYS 51 HB3 CYS 51 3.664 -1.299 -11.892 336 H LEU 52 H LEU 52 1.055 -0.673 -13.342 337 HA LEU 52 HA LEU 52 2.411 -1.557 -15.702 338 HB2 LEU 52 HB2 LEU 52 -0.412 -1.772 -14.710 339 HB3 LEU 52 HB3 LEU 52 0.046 -2.333 -16.317 340 HG LEU 52 HG LEU 52 1.511 -3.352 -13.918 341 HD11 LEU 52 HD11 LEU 52 -0.114 -5.215 -13.805 342 HD12 LEU 52 HD12 LEU 52 -1.168 -4.320 -14.898 343 HD13 LEU 52 HD13 LEU 52 -0.792 -3.665 -13.305 344 HD21 LEU 52 HD21 LEU 52 1.977 -5.207 -15.300 345 HD22 LEU 52 HD22 LEU 52 2.207 -3.781 -16.314 346 HD23 LEU 52 HD23 LEU 52 0.738 -4.746 -16.468 347 H LYS 53 H LYS 53 0.541 1.192 -14.857 348 HA LYS 53 HA LYS 53 -0.441 1.862 -17.436 349 HB2 LYS 53 HB2 LYS 53 0.095 3.607 -15.025 350 HB3 LYS 53 HB3 LYS 53 -0.783 4.122 -16.459 351 HG2 LYS 53 HG2 LYS 53 -1.817 1.666 -15.260 352 HG3 LYS 53 HG3 LYS 53 -1.908 3.080 -14.206 353 HD2 LYS 53 HD2 LYS 53 -3.940 2.833 -15.545 354 HD3 LYS 53 HD3 LYS 53 -3.079 4.318 -15.956 355 HE2 LYS 53 HE2 LYS 53 -2.428 1.891 -17.528 356 HE3 LYS 53 HE3 LYS 53 -4.009 2.623 -17.798 357 HZ1 LYS 53 HZ1 LYS 53 -2.159 4.690 -17.766 358 HZ2 LYS 53 HZ2 LYS 53 -3.020 4.098 -19.096 359 HZ3 LYS 53 HZ3 LYS 53 -1.490 3.475 -18.734 360 H SER 54 H SER 54 2.468 2.753 -15.629 361 HA SER 54 HA SER 54 3.438 4.539 -17.643 362 HB2 SER 54 HB2 SER 54 4.215 4.981 -15.453 363 HB3 SER 54 HB3 SER 54 4.673 3.299 -15.188 364 HG SER 54 HG SER 54 6.505 4.550 -15.619 365 H ALA 55 H ALA 55 4.120 1.190 -16.728 366 HA ALA 55 HA ALA 55 6.193 0.808 -18.640 367 HB1 ALA 55 HB1 ALA 55 6.439 -1.212 -17.696 368 HB2 ALA 55 HB2 ALA 55 5.332 -0.586 -16.474 369 HB3 ALA 55 HB3 ALA 55 4.717 -1.580 -17.795 370 H ALA 56 H ALA 56 2.856 1.092 -18.952 371 HA ALA 56 HA ALA 56 2.610 -0.668 -21.248 372 HB1 ALA 56 HB1 ALA 56 0.752 0.905 -19.568 373 HB2 ALA 56 HB2 ALA 56 0.278 0.633 -21.245 374 HB3 ALA 56 HB3 ALA 56 0.609 -0.740 -20.188 375 H GLY 57 H GLY 57 3.159 2.693 -20.565 376 HA2 GLY 57 HA2 GLY 57 2.360 3.756 -23.070 377 HA3 GLY 57 HA3 GLY 57 3.448 4.524 -21.923 378 H SER 58 H SER 58 5.203 2.067 -22.044 379 HA SER 58 HA SER 58 6.753 2.955 -24.339 380 HB2 SER 58 HB2 SER 58 7.565 0.817 -22.374 381 HB3 SER 58 HB3 SER 58 8.601 1.847 -23.361 382 HG SER 58 HG SER 58 7.998 3.604 -22.083 383 H ILE 59 H ILE 59 4.296 0.915 -24.049 384 HA ILE 59 HA ILE 59 5.452 -1.180 -25.757 385 HB ILE 59 HB ILE 59 2.714 -1.300 -24.525 386 HG12 ILE 59 HG12 ILE 59 5.325 -2.168 -23.266 387 HG13 ILE 59 HG13 ILE 59 4.276 -0.875 -22.693 388 HG21 ILE 59 HG21 ILE 59 4.123 -3.780 -24.679 389 HG22 ILE 59 HG22 ILE 59 2.639 -3.293 -25.496 390 HG23 ILE 59 HG23 ILE 59 4.204 -2.965 -26.240 391 HD11 ILE 59 HD11 ILE 59 2.550 -2.950 -22.716 392 HD12 ILE 59 HD12 ILE 59 4.064 -3.776 -22.346 393 HD13 ILE 59 HD13 ILE 59 3.503 -2.459 -21.317 394 H THR 60 H THR 60 5.052 -1.121 -27.860 395 HA THR 60 HA THR 60 2.974 0.662 -28.873 396 HB THR 60 HB THR 60 5.367 0.643 -29.776 397 HG1 THR 60 HG1 THR 60 4.340 1.663 -31.309 398 HG21 THR 60 HG21 THR 60 4.406 -1.681 -31.421 399 HG22 THR 60 HG22 THR 60 5.336 -1.919 -29.941 400 HG23 THR 60 HG23 THR 60 6.036 -1.021 -31.288 401 H LYS 61 H LYS 61 3.731 -2.719 -28.600 402 HA LYS 61 HA LYS 61 1.591 -3.487 -30.424 403 HB2 LYS 61 HB2 LYS 61 3.596 -5.107 -28.848 404 HB3 LYS 61 HB3 LYS 61 2.344 -5.820 -29.858 405 HG2 LYS 61 HG2 LYS 61 4.414 -3.900 -30.894 406 HG3 LYS 61 HG3 LYS 61 4.608 -5.655 -30.909 407 HD2 LYS 61 HD2 LYS 61 2.137 -4.470 -32.082 408 HD3 LYS 61 HD3 LYS 61 3.643 -4.377 -32.998 409 HE2 LYS 61 HE2 LYS 61 3.857 -6.879 -32.595 410 HE3 LYS 61 HE3 LYS 61 2.181 -6.829 -32.049 411 HZ1 LYS 61 HZ1 LYS 61 3.240 -6.219 -34.745 412 HZ2 LYS 61 HZ2 LYS 61 1.686 -5.755 -34.263 413 HZ3 LYS 61 HZ3 LYS 61 2.104 -7.394 -34.309 414 H LEU 62 H LEU 62 1.367 -2.220 -27.601 415 HA LEU 62 HA LEU 62 0.117 -4.120 -25.928 416 HB2 LEU 62 HB2 LEU 62 0.967 -2.068 -25.020 417 HB3 LEU 62 HB3 LEU 62 -0.103 -1.118 -26.051 418 HG LEU 62 HG LEU 62 -2.020 -2.244 -24.770 419 HD11 LEU 62 HD11 LEU 62 -1.489 -3.771 -23.256 420 HD12 LEU 62 HD12 LEU 62 -0.659 -2.523 -22.326 421 HD13 LEU 62 HD13 LEU 62 0.232 -3.478 -23.511 422 HD21 LEU 62 HD21 LEU 62 -0.776 0.125 -24.477 423 HD22 LEU 62 HD22 LEU 62 -0.537 -0.550 -22.866 424 HD23 LEU 62 HD23 LEU 62 -2.167 -0.375 -23.516 425 H ASN 63 H ASN 63 -1.792 -5.073 -26.119 426 HA ASN 63 HA ASN 63 -3.782 -3.888 -27.928 427 HB2 ASN 63 HB2 ASN 63 -3.322 -6.724 -27.006 428 HB3 ASN 63 HB3 ASN 63 -4.793 -6.229 -27.838 429 HD21 ASN 63 HD21 ASN 63 -4.789 -6.515 -29.938 430 HD22 ASN 63 HD22 ASN 63 -3.397 -6.567 -30.960 431 H THR 64 H THR 64 -4.786 -2.459 -26.531 432 HA THR 64 HA THR 64 -5.538 -2.886 -23.903 433 HB THR 64 HB THR 64 -7.141 -1.104 -24.155 434 HG1 THR 64 HG1 THR 64 -6.774 -1.144 -26.964 435 HG21 THR 64 HG21 THR 64 -4.521 -0.798 -24.578 436 HG22 THR 64 HG22 THR 64 -5.653 0.554 -24.640 437 HG23 THR 64 HG23 THR 64 -5.116 -0.215 -26.133 438 H ASN 65 H ASN 65 -6.960 -4.104 -26.826 439 HA ASN 65 HA ASN 65 -9.522 -4.745 -25.837 440 HB2 ASN 65 HB2 ASN 65 -7.872 -5.554 -28.176 441 HB3 ASN 65 HB3 ASN 65 -9.219 -6.603 -27.742 442 HD21 ASN 65 HD21 ASN 65 -9.324 -5.466 -30.134 443 HD22 ASN 65 HD22 ASN 65 -10.485 -4.188 -30.176 444 H ASN 66 H ASN 66 -6.488 -6.564 -25.943 445 HA ASN 66 HA ASN 66 -7.626 -8.934 -24.807 446 HB2 ASN 66 HB2 ASN 66 -4.794 -8.029 -25.312 447 HB3 ASN 66 HB3 ASN 66 -5.160 -9.554 -24.511 448 HD21 ASN 66 HD21 ASN 66 -4.147 -8.489 -27.286 449 HD22 ASN 66 HD22 ASN 66 -4.942 -9.553 -28.391 450 H ALA 67 H ALA 67 -6.310 -5.998 -23.569 451 HA ALA 67 HA ALA 67 -5.610 -6.965 -20.976 452 HB1 ALA 67 HB1 ALA 67 -5.984 -4.244 -22.168 453 HB2 ALA 67 HB2 ALA 67 -5.757 -4.444 -20.430 454 HB3 ALA 67 HB3 ALA 67 -4.515 -5.001 -21.551 455 H ALA 68 H ALA 68 -8.503 -5.571 -22.411 456 HA ALA 68 HA ALA 68 -9.900 -5.282 -19.928 457 HB1 ALA 68 HB1 ALA 68 -10.348 -4.609 -22.680 458 HB2 ALA 68 HB2 ALA 68 -11.776 -5.400 -22.010 459 HB3 ALA 68 HB3 ALA 68 -11.117 -3.961 -21.231 460 H ALA 69 H ALA 69 -9.851 -7.686 -22.521 461 HA ALA 69 HA ALA 69 -11.849 -9.318 -21.197 462 HB1 ALA 69 HB1 ALA 69 -10.286 -9.645 -23.746 463 HB2 ALA 69 HB2 ALA 69 -11.364 -10.892 -23.117 464 HB3 ALA 69 HB3 ALA 69 -12.007 -9.309 -23.554 465 H LEU 70 H LEU 70 -8.559 -8.853 -20.893 466 HA LEU 70 HA LEU 70 -7.483 -11.396 -20.612 467 HB2 LEU 70 HB2 LEU 70 -5.871 -9.792 -20.502 468 HB3 LEU 70 HB3 LEU 70 -6.860 -8.711 -19.523 469 HG LEU 70 HG LEU 70 -6.396 -10.121 -17.550 470 HD11 LEU 70 HD11 LEU 70 -4.130 -11.542 -18.357 471 HD12 LEU 70 HD12 LEU 70 -5.365 -11.894 -19.565 472 HD13 LEU 70 HD13 LEU 70 -5.689 -12.201 -17.859 473 HD21 LEU 70 HD21 LEU 70 -4.509 -8.981 -17.093 474 HD22 LEU 70 HD22 LEU 70 -4.837 -8.209 -18.645 475 HD23 LEU 70 HD23 LEU 70 -3.688 -9.544 -18.549 476 HA PRO 71 HA PRO 71 -8.715 -11.318 -15.940 477 HB2 PRO 71 HB2 PRO 71 -10.431 -9.373 -15.138 478 HB3 PRO 71 HB3 PRO 71 -8.675 -9.171 -15.123 479 HG2 PRO 71 HG2 PRO 71 -10.673 -8.226 -17.141 480 HG3 PRO 71 HG3 PRO 71 -9.279 -7.367 -16.460 481 HD2 PRO 71 HD2 PRO 71 -9.221 -8.532 -18.903 482 HD3 PRO 71 HD3 PRO 71 -7.785 -8.419 -17.865 483 H GLY 72 H GLY 72 -11.069 -10.362 -18.360 484 HA2 GLY 72 HA2 GLY 72 -13.342 -11.515 -17.093 485 HA3 GLY 72 HA3 GLY 72 -13.215 -11.071 -18.789 486 H LYS 73 H LYS 73 -11.136 -12.691 -19.616 487 HA LYS 73 HA LYS 73 -12.489 -15.172 -19.959 488 HB2 LYS 73 HB2 LYS 73 -9.927 -13.979 -20.882 489 HB3 LYS 73 HB3 LYS 73 -10.057 -15.732 -20.925 490 HG2 LYS 73 HG2 LYS 73 -11.630 -15.716 -22.571 491 HG3 LYS 73 HG3 LYS 73 -12.279 -14.147 -22.090 492 HD2 LYS 73 HD2 LYS 73 -9.841 -13.372 -22.857 493 HD3 LYS 73 HD3 LYS 73 -10.007 -14.803 -23.877 494 HE2 LYS 73 HE2 LYS 73 -12.108 -12.654 -23.716 495 HE3 LYS 73 HE3 LYS 73 -10.783 -12.610 -24.878 496 HZ1 LYS 73 HZ1 LYS 73 -12.333 -15.073 -24.750 497 HZ2 LYS 73 HZ2 LYS 73 -11.667 -14.282 -26.088 498 HZ3 LYS 73 HZ3 LYS 73 -13.113 -13.725 -25.411 499 H CYS 74 H CYS 74 -10.293 -13.988 -17.625 500 HA CYS 74 HA CYS 74 -9.446 -16.660 -16.807 501 HB2 CYS 74 HB2 CYS 74 -8.672 -13.902 -15.844 502 HB3 CYS 74 HB3 CYS 74 -8.076 -15.391 -15.118 503 H GLY 75 H GLY 75 -12.240 -15.526 -16.537 504 HA2 GLY 75 HA2 GLY 75 -13.954 -15.593 -15.012 505 HA3 GLY 75 HA3 GLY 75 -12.959 -16.754 -14.145 506 H VAL 76 H VAL 76 -13.168 -13.241 -14.708 507 HA VAL 76 HA VAL 76 -12.899 -12.824 -11.826 508 HB VAL 76 HB VAL 76 -11.247 -11.205 -13.757 509 HG11 VAL 76 HG11 VAL 76 -11.181 -9.904 -11.930 510 HG12 VAL 76 HG12 VAL 76 -11.746 -11.197 -10.869 511 HG13 VAL 76 HG13 VAL 76 -10.042 -11.102 -11.317 512 HG21 VAL 76 HG21 VAL 76 -10.485 -13.520 -13.861 513 HG22 VAL 76 HG22 VAL 76 -9.304 -12.506 -13.031 514 HG23 VAL 76 HG23 VAL 76 -10.362 -13.568 -12.102 515 H ASN 77 H ASN 77 -13.595 -10.722 -11.118 516 HA ASN 77 HA ASN 77 -15.147 -9.200 -13.093 517 HB2 ASN 77 HB2 ASN 77 -16.134 -10.541 -10.627 518 HB3 ASN 77 HB3 ASN 77 -16.786 -8.946 -10.993 519 HD21 ASN 77 HD21 ASN 77 -17.196 -8.808 -13.541 520 HD22 ASN 77 HD22 ASN 77 -18.206 -10.079 -14.131 521 H ILE 78 H ILE 78 -14.929 -7.050 -12.928 522 HA ILE 78 HA ILE 78 -13.891 -5.919 -10.425 523 HB ILE 78 HB ILE 78 -12.816 -5.270 -13.173 524 HG12 ILE 78 HG12 ILE 78 -11.279 -6.410 -10.847 525 HG13 ILE 78 HG13 ILE 78 -12.102 -7.451 -12.004 526 HG21 ILE 78 HG21 ILE 78 -11.256 -3.796 -11.989 527 HG22 ILE 78 HG22 ILE 78 -12.931 -3.296 -11.757 528 HG23 ILE 78 HG23 ILE 78 -12.080 -4.152 -10.471 529 HD11 ILE 78 HD11 ILE 78 -10.197 -5.368 -12.965 530 HD12 ILE 78 HD12 ILE 78 -9.599 -6.900 -12.326 531 HD13 ILE 78 HD13 ILE 78 -10.677 -6.886 -13.722 532 HA PRO 79 HA PRO 79 -17.220 -3.084 -11.121 533 HB2 PRO 79 HB2 PRO 79 -16.574 -1.322 -9.160 534 HB3 PRO 79 HB3 PRO 79 -17.317 -2.892 -8.834 535 HG2 PRO 79 HG2 PRO 79 -14.441 -2.083 -8.649 536 HG3 PRO 79 HG3 PRO 79 -15.399 -3.074 -7.533 537 HD2 PRO 79 HD2 PRO 79 -13.689 -4.151 -9.335 538 HD3 PRO 79 HD3 PRO 79 -15.181 -4.968 -8.827 539 H TYR 80 H TYR 80 -13.881 -1.943 -10.797 540 HA TYR 80 HA TYR 80 -14.397 0.602 -11.996 541 HB2 TYR 80 HB2 TYR 80 -11.923 -0.904 -11.212 542 HB3 TYR 80 HB3 TYR 80 -11.795 0.551 -12.195 543 HD1 TYR 80 HD1 TYR 80 -11.975 2.695 -11.220 544 HD2 TYR 80 HD2 TYR 80 -12.997 -0.748 -8.939 545 HE1 TYR 80 HE1 TYR 80 -12.094 4.081 -9.192 546 HE2 TYR 80 HE2 TYR 80 -13.120 0.629 -6.905 547 HH TYR 80 HH TYR 80 -13.238 2.776 -6.140 548 H LYS 81 H LYS 81 -13.316 1.329 -13.998 549 HA LYS 81 HA LYS 81 -13.836 -0.560 -16.131 550 HB2 LYS 81 HB2 LYS 81 -13.083 2.364 -16.122 551 HB3 LYS 81 HB3 LYS 81 -13.307 1.430 -17.596 552 HG2 LYS 81 HG2 LYS 81 -15.375 2.350 -17.405 553 HG3 LYS 81 HG3 LYS 81 -15.628 0.869 -16.477 554 HD2 LYS 81 HD2 LYS 81 -15.326 2.038 -14.408 555 HD3 LYS 81 HD3 LYS 81 -14.823 3.505 -15.252 556 HE2 LYS 81 HE2 LYS 81 -16.998 3.884 -16.089 557 HE3 LYS 81 HE3 LYS 81 -17.531 2.261 -15.654 558 HZ1 LYS 81 HZ1 LYS 81 -17.976 4.454 -14.176 559 HZ2 LYS 81 HZ2 LYS 81 -16.578 3.852 -13.438 560 HZ3 LYS 81 HZ3 LYS 81 -17.957 2.878 -13.559 561 H ILE 82 H ILE 82 -12.323 -0.968 -17.857 562 HA ILE 82 HA ILE 82 -9.637 -1.376 -16.840 563 HB ILE 82 HB ILE 82 -10.949 -2.222 -19.423 564 HG12 ILE 82 HG12 ILE 82 -11.679 -3.347 -17.305 565 HG13 ILE 82 HG13 ILE 82 -10.940 -4.435 -18.476 566 HG21 ILE 82 HG21 ILE 82 -8.791 -2.167 -20.142 567 HG22 ILE 82 HG22 ILE 82 -8.128 -2.344 -18.519 568 HG23 ILE 82 HG23 ILE 82 -8.778 -3.749 -19.363 569 HD11 ILE 82 HD11 ILE 82 -8.938 -3.396 -16.713 570 HD12 ILE 82 HD12 ILE 82 -10.265 -4.097 -15.787 571 HD13 ILE 82 HD13 ILE 82 -9.426 -5.066 -16.997 572 H SER 83 H SER 83 -11.263 0.967 -18.640 573 HA SER 83 HA SER 83 -9.605 1.806 -20.624 574 HB2 SER 83 HB2 SER 83 -11.627 3.012 -20.233 575 HB3 SER 83 HB3 SER 83 -11.128 3.454 -18.600 576 HG SER 83 HG SER 83 -10.650 4.727 -20.918 577 H THR 84 H THR 84 -7.448 1.808 -20.544 578 HA THR 84 HA THR 84 -5.871 2.234 -18.273 579 HB THR 84 HB THR 84 -3.982 2.564 -19.851 580 HG1 THR 84 HG1 THR 84 -4.400 2.552 -22.063 581 HG21 THR 84 HG21 THR 84 -5.057 0.330 -21.239 582 HG22 THR 84 HG22 THR 84 -5.655 0.278 -19.580 583 HG23 THR 84 HG23 THR 84 -3.920 0.339 -19.891 584 H THR 85 H THR 85 -7.541 4.459 -20.244 585 HA THR 85 HA THR 85 -5.838 6.721 -19.789 586 HB THR 85 HB THR 85 -7.506 8.041 -20.859 587 HG1 THR 85 HG1 THR 85 -9.615 7.388 -21.068 588 HG21 THR 85 HG21 THR 85 -6.268 6.378 -22.275 589 HG22 THR 85 HG22 THR 85 -7.813 6.905 -22.942 590 HG23 THR 85 HG23 THR 85 -7.680 5.328 -22.165 591 H THR 86 H THR 86 -7.813 5.001 -17.774 592 HA THR 86 HA THR 86 -9.009 7.158 -16.306 593 HB THR 86 HB THR 86 -8.609 4.302 -15.400 594 HG1 THR 86 HG1 THR 86 -9.900 4.933 -17.474 595 HG21 THR 86 HG21 THR 86 -9.371 5.248 -13.491 596 HG22 THR 86 HG22 THR 86 -10.933 5.138 -14.303 597 HG23 THR 86 HG23 THR 86 -10.032 6.653 -14.327 598 H ASN 87 H ASN 87 -8.477 7.825 -14.182 599 HA ASN 87 HA ASN 87 -5.616 7.782 -13.664 600 HB2 ASN 87 HB2 ASN 87 -6.853 9.924 -13.599 601 HB3 ASN 87 HB3 ASN 87 -7.817 9.312 -12.258 602 HD21 ASN 87 HD21 ASN 87 -7.098 11.028 -10.965 603 HD22 ASN 87 HD22 ASN 87 -5.515 11.033 -10.272 604 H CYS 88 H CYS 88 -4.977 5.965 -12.656 605 HA CYS 88 HA CYS 88 -6.586 4.628 -10.697 606 HB2 CYS 88 HB2 CYS 88 -3.645 4.162 -11.154 607 HB3 CYS 88 HB3 CYS 88 -4.859 3.016 -10.591 608 H ASN 89 H ASN 89 -4.782 7.389 -10.556 609 HA ASN 89 HA ASN 89 -3.647 6.999 -7.924 610 HB2 ASN 89 HB2 ASN 89 -3.858 9.481 -9.645 611 HB3 ASN 89 HB3 ASN 89 -2.960 9.370 -8.134 612 HD21 ASN 89 HD21 ASN 89 -2.994 8.677 -11.490 613 HD22 ASN 89 HD22 ASN 89 -1.400 8.019 -11.597 614 H THR 90 H THR 90 -6.609 8.073 -9.267 615 HA THR 90 HA THR 90 -7.406 9.266 -6.695 616 HB THR 90 HB THR 90 -7.639 10.802 -8.588 617 HG1 THR 90 HG1 THR 90 -9.227 10.769 -6.848 618 HG21 THR 90 HG21 THR 90 -7.993 9.019 -10.310 619 HG22 THR 90 HG22 THR 90 -9.118 10.373 -10.427 620 HG23 THR 90 HG23 THR 90 -9.643 8.848 -9.714 621 H VAL 91 H VAL 91 -7.310 6.472 -6.959 622 HA VAL 91 HA VAL 91 -10.147 5.717 -7.167 623 HB VAL 91 HB VAL 91 -9.456 3.443 -7.476 624 HG11 VAL 91 HG11 VAL 91 -7.875 5.387 -9.144 625 HG12 VAL 91 HG12 VAL 91 -8.003 3.667 -9.518 626 HG13 VAL 91 HG13 VAL 91 -9.449 4.679 -9.504 627 HG21 VAL 91 HG21 VAL 91 -6.652 3.565 -7.708 628 HG22 VAL 91 HG22 VAL 91 -7.067 4.331 -6.175 629 HG23 VAL 91 HG23 VAL 91 -7.603 2.685 -6.511 630 H LYS 92 H LYS 92 -11.098 4.433 -5.541 631 HA LYS 92 HA LYS 92 -9.617 4.062 -3.055 632 HB2 LYS 92 HB2 LYS 92 -11.138 5.254 -1.689 633 HB3 LYS 92 HB3 LYS 92 -10.755 6.332 -3.025 634 HG2 LYS 92 HG2 LYS 92 -12.978 6.610 -3.101 635 HG3 LYS 92 HG3 LYS 92 -12.941 5.098 -4.011 636 HD2 LYS 92 HD2 LYS 92 -14.619 4.899 -2.317 637 HD3 LYS 92 HD3 LYS 92 -13.254 3.880 -1.851 638 HE2 LYS 92 HE2 LYS 92 -12.673 5.228 -0.097 639 HE3 LYS 92 HE3 LYS 92 -13.313 6.682 -0.860 640 HZ1 LYS 92 HZ1 LYS 92 -15.130 6.445 0.354 641 HZ2 LYS 92 HZ2 LYS 92 -14.550 5.005 1.026 642 HZ3 LYS 92 HZ3 LYS 92 -15.457 4.967 -0.402 643 H PHE 93 H PHE 93 -10.797 2.711 -1.496 644 HA PHE 93 HA PHE 93 -11.869 0.418 -2.706 645 HB2 PHE 93 HB2 PHE 93 -12.099 -0.462 -0.537 646 HB3 PHE 93 HB3 PHE 93 -10.747 0.658 -0.405 647 HD1 PHE 93 HD1 PHE 93 -11.277 3.028 0.440 648 HD2 PHE 93 HD2 PHE 93 -13.899 -0.293 0.908 649 HE1 PHE 93 HE1 PHE 93 -12.422 4.195 2.278 650 HE2 PHE 93 HE2 PHE 93 -15.048 0.870 2.747 651 HZ PHE 93 HZ PHE 93 -14.311 3.117 3.434 652 HC11 PGM 101 H11 PPG 103 9.374 -3.935 -22.424 653 HC12 PGM 101 H12 PPG 103 8.776 -3.206 -23.764 654 HO1 PGM 101 H1 PPG 103 11.173 -4.644 -23.542 655 HC2 PGM 101 H2A PPG 103 11.300 -2.225 -22.677 656 HO2 PGM 101 H2 PPG 103 10.226 -1.702 -24.819 657 HC31 PGM 101 H31 PPG 103 8.541 -1.575 -21.904 658 HC32 PGM 101 H32 PPG 103 9.778 -0.544 -21.588 659 HC71 PGM 101 H91 PPG 103 8.130 -4.010 -18.257 660 HC72 PGM 101 H92 PPG 103 8.553 -4.028 -19.827 661 HC8 PGM 101 H10A PPG 103 6.981 -5.760 -19.405 662 HO8 PGM 101 H10 PPG 103 5.185 -4.794 -20.852 663 HC91 PGM 101 H111 PPG 103 5.399 -3.486 -18.462 664 HC92 PGM 101 H112 PPG 103 5.658 -4.867 -17.640 665 HCB1 PGM 101 H151 PPG 103 1.451 -5.149 -18.942 666 HCB2 PGM 101 H152 PPG 103 1.998 -5.256 -20.474 667 HCC1 PGM 101 H161 PPG 103 0.244 -3.818 -20.760 668 HCC2 PGM 101 H162 PPG 103 1.447 -2.746 -20.507 669 HCD1 PGM 101 H171 PPG 103 -0.125 -2.126 -18.946 670 HCD2 PGM 101 H172 PPG 103 0.937 -3.011 -18.089 671 HCE1 PGM 101 H181 PPG 103 -1.001 -3.904 -17.397 672 HCE2 PGM 101 H182 PPG 103 -0.613 -4.919 -18.609 673 HCF1 PGM 101 H191 PPG 103 -2.655 -4.577 -19.244 674 HCF2 PGM 101 H192 PPG 103 -2.033 -3.224 -19.905 675 HCG1 PGM 101 H201 PPG 103 -3.942 -2.530 -18.885 676 HCG2 PGM 101 H202 PPG 103 -2.747 -2.055 -17.888 677 HCH1 PGM 101 H211 PPG 103 -3.359 -3.489 -16.265 678 HCH2 PGM 101 H212 PPG 103 -3.972 -4.570 -17.327 679 HCI1 PGM 101 H221 PPG 103 -5.863 -3.572 -16.423 680 HCI2 PGM 101 H222 PPG 103 -5.674 -2.825 -17.867 681 HCJ1 PGM 101 H231 PPG 103 -6.103 -1.195 -16.247 682 HCJ2 PGM 101 H232 PPG 103 -4.555 -1.023 -16.750 683 HCK1 PGM 101 H241 PPG 103 -4.060 -0.995 -14.606 684 HCK2 PGM 101 H242 PPG 103 -4.247 -2.616 -14.676 685 HCL1 PGM 101 H251 PPG 103 -6.649 -1.116 -14.275 686 HCL2 PGM 101 H252 PPG 103 -5.642 -1.208 -12.990 687 HCM1 PGM 101 H261 PPG 103 -6.126 -3.650 -14.452 688 HCM2 PGM 101 H262 PPG 103 -7.291 -3.168 -13.419 689 HCN1 PGM 101 H271 PPG 103 -5.948 -3.388 -11.610 690 HCN2 PGM 101 H272 PPG 103 -4.594 -3.066 -12.456 691 HCO1 PGM 101 H281 PPG 103 -5.199 -5.230 -13.647 692 HCO2 PGM 101 H282 PPG 103 -6.012 -5.543 -12.259 693 HCP1 PGM 101 H291 PPG 103 -3.961 -6.681 -12.273 694 HCP2 PGM 101 H292 PPG 103 -3.166 -5.267 -12.454 695 HCP3 PGM 101 H293 PPG 103 -3.972 -5.569 -11.072 Start of MODEL 17 1 H ALA 1 H ALA 1 3.970 -0.761 1.063 2 HA ALA 1 HA ALA 1 2.231 -0.444 -1.269 3 HB1 ALA 1 HB1 ALA 1 4.534 0.966 -0.218 4 HB2 ALA 1 HB2 ALA 1 4.710 0.591 -1.932 5 HB3 ALA 1 HB3 ALA 1 3.309 1.501 -1.368 6 H ILE 2 H ILE 2 2.473 -1.571 -3.121 7 HA ILE 2 HA ILE 2 4.204 -3.885 -3.071 8 HB ILE 2 HB ILE 2 3.088 -4.601 -5.066 9 HG12 ILE 2 HG12 ILE 2 1.891 -1.823 -5.153 10 HG13 ILE 2 HG13 ILE 2 3.063 -2.489 -6.285 11 HG21 ILE 2 HG21 ILE 2 1.834 -4.211 -2.677 12 HG22 ILE 2 HG22 ILE 2 0.716 -3.443 -3.802 13 HG23 ILE 2 HG23 ILE 2 1.173 -5.131 -4.028 14 HD11 ILE 2 HD11 ILE 2 1.395 -3.201 -7.542 15 HD12 ILE 2 HD12 ILE 2 0.869 -4.256 -6.229 16 HD13 ILE 2 HD13 ILE 2 0.225 -2.619 -6.358 17 H SER 3 H SER 3 5.098 -4.393 -5.464 18 HA SER 3 HA SER 3 6.648 -2.037 -6.316 19 HB2 SER 3 HB2 SER 3 7.724 -4.861 -6.189 20 HB3 SER 3 HB3 SER 3 8.625 -3.391 -6.564 21 HG SER 3 HG SER 3 8.761 -2.948 -4.504 22 H CYS 4 H CYS 4 6.655 -1.638 -8.439 23 HA CYS 4 HA CYS 4 4.922 -2.832 -10.218 24 HB2 CYS 4 HB2 CYS 4 7.520 -1.448 -10.918 25 HB3 CYS 4 HB3 CYS 4 6.143 -1.676 -11.991 26 H GLY 5 H GLY 5 8.164 -3.780 -9.348 27 HA2 GLY 5 HA2 GLY 5 8.919 -5.372 -11.471 28 HA3 GLY 5 HA3 GLY 5 9.336 -5.704 -9.797 29 H ALA 6 H ALA 6 6.828 -6.260 -8.745 30 HA ALA 6 HA ALA 6 6.410 -8.917 -9.824 31 HB1 ALA 6 HB1 ALA 6 5.060 -9.309 -7.855 32 HB2 ALA 6 HB2 ALA 6 6.586 -8.552 -7.395 33 HB3 ALA 6 HB3 ALA 6 5.107 -7.593 -7.449 34 H VAL 7 H VAL 7 4.988 -5.834 -10.118 35 HA VAL 7 HA VAL 7 2.302 -6.660 -10.635 36 HB VAL 7 HB VAL 7 3.687 -4.096 -11.434 37 HG11 VAL 7 HG11 VAL 7 0.854 -3.912 -10.942 38 HG12 VAL 7 HG12 VAL 7 1.779 -3.440 -12.369 39 HG13 VAL 7 HG13 VAL 7 1.197 -5.097 -12.202 40 HG21 VAL 7 HG21 VAL 7 1.864 -4.474 -9.079 41 HG22 VAL 7 HG22 VAL 7 3.606 -4.724 -8.952 42 HG23 VAL 7 HG23 VAL 7 2.974 -3.145 -9.416 43 H THR 8 H THR 8 5.037 -5.718 -12.699 44 HA THR 8 HA THR 8 3.610 -6.220 -15.133 45 HB THR 8 HB THR 8 5.751 -5.859 -16.259 46 HG1 THR 8 HG1 THR 8 6.809 -5.819 -13.611 47 HG21 THR 8 HG21 THR 8 6.133 -3.694 -14.422 48 HG22 THR 8 HG22 THR 8 4.408 -4.006 -14.610 49 HG23 THR 8 HG23 THR 8 5.403 -3.671 -16.026 50 H SER 9 H SER 9 6.130 -7.930 -13.309 51 HA SER 9 HA SER 9 6.607 -10.030 -15.046 52 HB2 SER 9 HB2 SER 9 7.656 -9.413 -12.708 53 HB3 SER 9 HB3 SER 9 6.475 -10.575 -12.104 54 HG SER 9 HG SER 9 8.710 -11.301 -12.824 55 H ASP 10 H ASP 10 4.078 -9.707 -12.591 56 HA ASP 10 HA ASP 10 2.989 -12.266 -12.759 57 HB2 ASP 10 HB2 ASP 10 1.822 -9.589 -12.045 58 HB3 ASP 10 HB3 ASP 10 0.812 -11.032 -12.084 59 H LEU 11 H LEU 11 2.852 -9.638 -14.982 60 HA LEU 11 HA LEU 11 0.727 -10.968 -16.516 61 HB2 LEU 11 HB2 LEU 11 1.779 -8.157 -16.508 62 HB3 LEU 11 HB3 LEU 11 0.788 -8.773 -17.829 63 HG LEU 11 HG LEU 11 -0.019 -8.406 -14.949 64 HD11 LEU 11 HD11 LEU 11 0.025 -6.422 -16.489 65 HD12 LEU 11 HD12 LEU 11 -1.545 -6.792 -15.778 66 HD13 LEU 11 HD13 LEU 11 -1.210 -7.235 -17.452 67 HD21 LEU 11 HD21 LEU 11 -1.218 -10.291 -15.376 68 HD22 LEU 11 HD22 LEU 11 -1.203 -10.043 -17.122 69 HD23 LEU 11 HD23 LEU 11 -2.302 -9.108 -16.107 70 H SER 12 H SER 12 3.751 -11.506 -16.322 71 HA SER 12 HA SER 12 5.023 -10.854 -18.705 72 HB2 SER 12 HB2 SER 12 5.358 -12.938 -16.630 73 HB3 SER 12 HB3 SER 12 6.089 -13.292 -18.196 74 HG SER 12 HG SER 12 7.172 -11.880 -16.369 75 HA PRO 13 HA PRO 13 3.401 -14.982 -20.615 76 HB2 PRO 13 HB2 PRO 13 1.488 -16.330 -19.238 77 HB3 PRO 13 HB3 PRO 13 3.218 -16.607 -19.001 78 HG2 PRO 13 HG2 PRO 13 1.323 -14.960 -17.371 79 HG3 PRO 13 HG3 PRO 13 2.591 -16.073 -16.826 80 HD2 PRO 13 HD2 PRO 13 2.930 -13.386 -16.869 81 HD3 PRO 13 HD3 PRO 13 4.266 -14.522 -17.149 82 H CYS 14 H CYS 14 1.474 -12.600 -19.111 83 HA CYS 14 HA CYS 14 -0.859 -13.117 -20.776 84 HB2 CYS 14 HB2 CYS 14 -0.336 -10.942 -18.739 85 HB3 CYS 14 HB3 CYS 14 -1.868 -11.221 -19.561 86 H LEU 15 H LEU 15 1.898 -11.007 -20.618 87 HA LEU 15 HA LEU 15 1.175 -8.827 -22.093 88 HB2 LEU 15 HB2 LEU 15 3.463 -9.543 -21.105 89 HB3 LEU 15 HB3 LEU 15 3.745 -10.234 -22.701 90 HG LEU 15 HG LEU 15 3.582 -8.061 -23.726 91 HD11 LEU 15 HD11 LEU 15 3.500 -6.100 -21.950 92 HD12 LEU 15 HD12 LEU 15 2.549 -7.284 -21.055 93 HD13 LEU 15 HD13 LEU 15 2.035 -6.775 -22.663 94 HD21 LEU 15 HD21 LEU 15 5.731 -7.776 -23.261 95 HD22 LEU 15 HD22 LEU 15 5.559 -8.811 -21.843 96 HD23 LEU 15 HD23 LEU 15 5.316 -7.069 -21.699 97 H THR 16 H THR 16 2.048 -12.029 -23.324 98 HA THR 16 HA THR 16 2.090 -11.507 -26.041 99 HB THR 16 HB THR 16 1.104 -13.996 -24.634 100 HG1 THR 16 HG1 THR 16 3.617 -13.038 -25.467 101 HG21 THR 16 HG21 THR 16 1.031 -13.292 -27.409 102 HG22 THR 16 HG22 THR 16 0.524 -14.792 -26.632 103 HG23 THR 16 HG23 THR 16 2.192 -14.596 -27.168 104 H TYR 17 H TYR 17 -0.701 -12.842 -24.256 105 HA TYR 17 HA TYR 17 -2.537 -12.493 -26.354 106 HB2 TYR 17 HB2 TYR 17 -3.099 -14.026 -24.624 107 HB3 TYR 17 HB3 TYR 17 -2.902 -12.802 -23.375 108 HD1 TYR 17 HD1 TYR 17 -5.008 -13.694 -26.311 109 HD2 TYR 17 HD2 TYR 17 -4.745 -11.570 -22.634 110 HE1 TYR 17 HE1 TYR 17 -7.412 -13.189 -26.438 111 HE2 TYR 17 HE2 TYR 17 -7.148 -11.060 -22.750 112 HH TYR 17 HH TYR 17 -9.078 -11.516 -23.808 113 H LEU 18 H LEU 18 -1.507 -10.376 -23.754 114 HA LEU 18 HA LEU 18 -3.551 -8.432 -24.074 115 HB2 LEU 18 HB2 LEU 18 -0.804 -8.313 -22.854 116 HB3 LEU 18 HB3 LEU 18 -1.919 -6.947 -22.847 117 HG LEU 18 HG LEU 18 -2.314 -9.609 -21.484 118 HD11 LEU 18 HD11 LEU 18 -1.897 -6.826 -20.403 119 HD12 LEU 18 HD12 LEU 18 -0.743 -8.158 -20.339 120 HD13 LEU 18 HD13 LEU 18 -2.256 -8.258 -19.439 121 HD21 LEU 18 HD21 LEU 18 -4.227 -7.774 -20.608 122 HD22 LEU 18 HD22 LEU 18 -4.496 -9.210 -21.597 123 HD23 LEU 18 HD23 LEU 18 -4.226 -7.645 -22.368 124 H THR 19 H THR 19 -0.623 -9.113 -25.765 125 HA THR 19 HA THR 19 -0.613 -6.500 -27.076 126 HB THR 19 HB THR 19 1.470 -7.293 -28.171 127 HG1 THR 19 HG1 THR 19 1.840 -9.368 -28.144 128 HG21 THR 19 HG21 THR 19 2.352 -7.874 -25.531 129 HG22 THR 19 HG22 THR 19 1.066 -6.672 -25.426 130 HG23 THR 19 HG23 THR 19 2.486 -6.359 -26.424 131 H GLY 20 H GLY 20 -2.723 -8.564 -27.506 132 HA2 GLY 20 HA2 GLY 20 -4.046 -8.882 -29.416 133 HA3 GLY 20 HA3 GLY 20 -2.663 -8.461 -30.416 134 H GLY 21 H GLY 21 -1.485 -10.593 -28.240 135 HA2 GLY 21 HA2 GLY 21 -1.337 -12.701 -30.170 136 HA3 GLY 21 HA3 GLY 21 -0.695 -12.740 -28.535 137 HA PRO 22 HA PRO 22 -4.471 -15.523 -28.968 138 HB2 PRO 22 HB2 PRO 22 -3.199 -17.859 -28.425 139 HB3 PRO 22 HB3 PRO 22 -3.361 -17.211 -30.061 140 HG2 PRO 22 HG2 PRO 22 -1.029 -17.068 -28.189 141 HG3 PRO 22 HG3 PRO 22 -1.047 -17.407 -29.930 142 HD2 PRO 22 HD2 PRO 22 -0.409 -14.975 -28.926 143 HD3 PRO 22 HD3 PRO 22 -1.225 -15.179 -30.490 144 H GLY 23 H GLY 23 -5.622 -16.357 -27.234 145 HA2 GLY 23 HA2 GLY 23 -5.071 -17.371 -24.880 146 HA3 GLY 23 HA3 GLY 23 -4.489 -15.736 -24.603 147 HA PRO 24 HA PRO 24 -4.894 -15.104 -22.779 148 HB2 PRO 24 HB2 PRO 24 -6.077 -15.515 -20.371 149 HB3 PRO 24 HB3 PRO 24 -6.156 -13.972 -21.229 150 HG2 PRO 24 HG2 PRO 24 -8.188 -16.165 -21.087 151 HG3 PRO 24 HG3 PRO 24 -8.425 -14.412 -20.978 152 HD2 PRO 24 HD2 PRO 24 -8.904 -15.807 -23.248 153 HD3 PRO 24 HD3 PRO 24 -8.327 -14.129 -23.263 154 H SER 25 H SER 25 -3.440 -16.661 -22.465 155 HA SER 25 HA SER 25 -4.060 -19.403 -22.627 156 HB2 SER 25 HB2 SER 25 -1.594 -19.483 -21.569 157 HB3 SER 25 HB3 SER 25 -1.887 -19.082 -23.261 158 HG SER 25 HG SER 25 -0.969 -17.504 -21.212 159 HA PRO 26 HA PRO 26 -4.925 -20.687 -18.523 160 HB2 PRO 26 HB2 PRO 26 -3.492 -22.979 -18.273 161 HB3 PRO 26 HB3 PRO 26 -4.936 -22.854 -19.285 162 HG2 PRO 26 HG2 PRO 26 -2.052 -22.729 -20.077 163 HG3 PRO 26 HG3 PRO 26 -3.393 -23.577 -20.868 164 HD2 PRO 26 HD2 PRO 26 -2.451 -21.197 -21.751 165 HD3 PRO 26 HD3 PRO 26 -4.157 -21.664 -21.903 166 H GLN 27 H GLN 27 -1.511 -20.514 -19.371 167 HA GLN 27 HA GLN 27 -0.596 -20.563 -16.653 168 HB2 GLN 27 HB2 GLN 27 0.868 -19.691 -19.150 169 HB3 GLN 27 HB3 GLN 27 1.599 -20.060 -17.594 170 HG2 GLN 27 HG2 GLN 27 0.935 -22.373 -17.787 171 HG3 GLN 27 HG3 GLN 27 0.088 -22.030 -19.294 172 HE21 GLN 27 HE21 GLN 27 1.389 -21.272 -21.100 173 HE22 GLN 27 HE22 GLN 27 3.014 -21.835 -21.257 174 H CYS 28 H CYS 28 -1.551 -18.123 -18.943 175 HA CYS 28 HA CYS 28 -0.366 -15.907 -17.604 176 HB2 CYS 28 HB2 CYS 28 -0.851 -15.317 -19.762 177 HB3 CYS 28 HB3 CYS 28 -2.318 -16.289 -19.812 178 H CYS 29 H CYS 29 -3.702 -17.150 -17.726 179 HA CYS 29 HA CYS 29 -4.933 -15.339 -16.059 180 HB2 CYS 29 HB2 CYS 29 -5.403 -18.233 -16.649 181 HB3 CYS 29 HB3 CYS 29 -6.334 -17.466 -15.367 182 H GLY 30 H GLY 30 -2.910 -18.086 -15.204 183 HA2 GLY 30 HA2 GLY 30 -3.441 -18.295 -12.489 184 HA3 GLY 30 HA3 GLY 30 -1.885 -18.647 -13.227 185 H GLY 31 H GLY 31 -1.225 -16.074 -14.142 186 HA2 GLY 31 HA2 GLY 31 -0.238 -14.943 -11.698 187 HA3 GLY 31 HA3 GLY 31 0.037 -14.324 -13.320 188 H VAL 32 H VAL 32 -2.645 -13.965 -14.102 189 HA VAL 32 HA VAL 32 -3.172 -11.392 -13.272 190 HB VAL 32 HB VAL 32 -5.186 -13.431 -14.229 191 HG11 VAL 32 HG11 VAL 32 -5.344 -10.418 -14.222 192 HG12 VAL 32 HG12 VAL 32 -6.548 -11.525 -14.886 193 HG13 VAL 32 HG13 VAL 32 -6.238 -11.495 -13.149 194 HG21 VAL 32 HG21 VAL 32 -4.771 -12.620 -16.432 195 HG22 VAL 32 HG22 VAL 32 -3.729 -11.332 -15.827 196 HG23 VAL 32 HG23 VAL 32 -3.209 -13.014 -15.715 197 H LYS 33 H LYS 33 -4.553 -14.410 -12.012 198 HA LYS 33 HA LYS 33 -6.287 -13.222 -10.139 199 HB2 LYS 33 HB2 LYS 33 -4.967 -15.943 -10.081 200 HB3 LYS 33 HB3 LYS 33 -6.314 -15.450 -9.062 201 HG2 LYS 33 HG2 LYS 33 -7.820 -15.746 -10.693 202 HG3 LYS 33 HG3 LYS 33 -6.759 -15.075 -11.935 203 HD2 LYS 33 HD2 LYS 33 -6.191 -17.114 -12.621 204 HD3 LYS 33 HD3 LYS 33 -5.712 -17.577 -10.986 205 HE2 LYS 33 HE2 LYS 33 -7.595 -18.736 -10.653 206 HE3 LYS 33 HE3 LYS 33 -8.601 -17.460 -11.337 207 HZ1 LYS 33 HZ1 LYS 33 -7.875 -18.268 -13.567 208 HZ2 LYS 33 HZ2 LYS 33 -8.832 -19.363 -12.704 209 HZ3 LYS 33 HZ3 LYS 33 -7.160 -19.598 -12.803 210 H LYS 34 H LYS 34 -2.941 -14.344 -9.883 211 HA LYS 34 HA LYS 34 -2.646 -13.933 -7.112 212 HB2 LYS 34 HB2 LYS 34 -1.071 -15.287 -8.385 213 HB3 LYS 34 HB3 LYS 34 -0.579 -13.879 -9.318 214 HG2 LYS 34 HG2 LYS 34 0.726 -13.060 -7.659 215 HG3 LYS 34 HG3 LYS 34 -0.310 -13.695 -6.378 216 HD2 LYS 34 HD2 LYS 34 0.529 -15.961 -6.855 217 HD3 LYS 34 HD3 LYS 34 1.597 -15.291 -8.090 218 HE2 LYS 34 HE2 LYS 34 3.039 -15.379 -6.316 219 HE3 LYS 34 HE3 LYS 34 2.382 -13.757 -6.098 220 HZ1 LYS 34 HZ1 LYS 34 2.354 -14.864 -4.008 221 HZ2 LYS 34 HZ2 LYS 34 1.579 -16.221 -4.653 222 HZ3 LYS 34 HZ3 LYS 34 0.750 -14.751 -4.536 223 H LEU 35 H LEU 35 -2.146 -11.813 -9.889 224 HA LEU 35 HA LEU 35 -0.986 -9.668 -8.454 225 HB2 LEU 35 HB2 LEU 35 -0.660 -9.679 -10.778 226 HB3 LEU 35 HB3 LEU 35 -2.381 -9.880 -11.102 227 HG LEU 35 HG LEU 35 -2.818 -7.593 -10.503 228 HD11 LEU 35 HD11 LEU 35 0.121 -7.334 -9.890 229 HD12 LEU 35 HD12 LEU 35 -1.157 -7.443 -8.681 230 HD13 LEU 35 HD13 LEU 35 -1.100 -6.066 -9.782 231 HD21 LEU 35 HD21 LEU 35 -0.400 -7.778 -12.299 232 HD22 LEU 35 HD22 LEU 35 -1.548 -6.440 -12.237 233 HD23 LEU 35 HD23 LEU 35 -2.075 -8.030 -12.791 234 H LEU 36 H LEU 36 -4.312 -10.192 -9.620 235 HA LEU 36 HA LEU 36 -5.383 -7.863 -8.439 236 HB2 LEU 36 HB2 LEU 36 -6.673 -10.442 -9.307 237 HB3 LEU 36 HB3 LEU 36 -7.580 -9.040 -8.743 238 HG LEU 36 HG LEU 36 -5.750 -8.979 -11.136 239 HD11 LEU 36 HD11 LEU 36 -7.706 -10.598 -11.305 240 HD12 LEU 36 HD12 LEU 36 -7.584 -9.354 -12.548 241 HD13 LEU 36 HD13 LEU 36 -8.744 -9.175 -11.232 242 HD21 LEU 36 HD21 LEU 36 -8.020 -7.139 -10.426 243 HD22 LEU 36 HD22 LEU 36 -6.753 -6.902 -11.630 244 HD23 LEU 36 HD23 LEU 36 -6.358 -6.846 -9.911 245 H ALA 37 H ALA 37 -4.897 -11.130 -7.265 246 HA ALA 37 HA ALA 37 -6.521 -10.971 -4.965 247 HB1 ALA 37 HB1 ALA 37 -4.142 -12.677 -5.651 248 HB2 ALA 37 HB2 ALA 37 -5.025 -12.838 -4.132 249 HB3 ALA 37 HB3 ALA 37 -5.849 -13.121 -5.666 250 H ALA 38 H ALA 38 -3.363 -9.743 -5.692 251 HA ALA 38 HA ALA 38 -2.626 -9.317 -2.931 252 HB1 ALA 38 HB1 ALA 38 -0.769 -7.926 -4.114 253 HB2 ALA 38 HB2 ALA 38 -0.752 -9.687 -4.223 254 HB3 ALA 38 HB3 ALA 38 -1.361 -8.725 -5.571 255 H ALA 39 H ALA 39 -3.828 -7.385 -5.632 256 HA ALA 39 HA ALA 39 -3.671 -4.896 -4.225 257 HB1 ALA 39 HB1 ALA 39 -4.765 -3.936 -6.120 258 HB2 ALA 39 HB2 ALA 39 -3.596 -5.119 -6.710 259 HB3 ALA 39 HB3 ALA 39 -5.313 -5.519 -6.672 260 H ASN 40 H ASN 40 -4.790 -5.835 -2.277 261 HA ASN 40 HA ASN 40 -7.710 -5.875 -2.563 262 HB2 ASN 40 HB2 ASN 40 -6.670 -7.794 -1.411 263 HB3 ASN 40 HB3 ASN 40 -5.991 -6.698 -0.212 264 HD21 ASN 40 HD21 ASN 40 -7.033 -7.058 1.612 265 HD22 ASN 40 HD22 ASN 40 -8.749 -7.134 1.799 266 H THR 41 H THR 41 -5.169 -3.870 -1.592 267 HA THR 41 HA THR 41 -6.917 -2.259 0.136 268 HB THR 41 HB THR 41 -4.485 -1.031 0.287 269 HG1 THR 41 HG1 THR 41 -2.991 -2.825 0.564 270 HG21 THR 41 HG21 THR 41 -6.035 -2.902 1.919 271 HG22 THR 41 HG22 THR 41 -5.248 -1.388 2.369 272 HG23 THR 41 HG23 THR 41 -4.314 -2.882 2.301 273 H THR 42 H THR 42 -6.425 0.180 -0.053 274 HA THR 42 HA THR 42 -7.168 1.002 -2.668 275 HB THR 42 HB THR 42 -6.548 2.434 -0.116 276 HG1 THR 42 HG1 THR 42 -8.722 3.333 -0.949 277 HG21 THR 42 HG21 THR 42 -7.184 4.550 -1.524 278 HG22 THR 42 HG22 THR 42 -6.514 3.615 -2.861 279 HG23 THR 42 HG23 THR 42 -5.511 3.997 -1.462 280 HA PRO 43 HA PRO 43 -2.728 2.932 -2.804 281 HB2 PRO 43 HB2 PRO 43 -0.951 2.045 -0.953 282 HB3 PRO 43 HB3 PRO 43 -1.995 3.446 -0.688 283 HG2 PRO 43 HG2 PRO 43 -2.333 0.625 0.256 284 HG3 PRO 43 HG3 PRO 43 -2.596 2.139 1.140 285 HD2 PRO 43 HD2 PRO 43 -4.628 0.707 0.066 286 HD3 PRO 43 HD3 PRO 43 -4.671 2.477 0.194 287 H ASP 44 H ASP 44 -3.521 -0.338 -2.285 288 HA ASP 44 HA ASP 44 -1.088 -1.390 -3.471 289 HB2 ASP 44 HB2 ASP 44 -3.532 -2.571 -2.224 290 HB3 ASP 44 HB3 ASP 44 -2.594 -3.565 -3.336 291 H ARG 45 H ARG 45 -4.440 -0.808 -4.346 292 HA ARG 45 HA ARG 45 -4.273 -2.160 -6.867 293 HB2 ARG 45 HB2 ARG 45 -6.299 -0.131 -5.903 294 HB3 ARG 45 HB3 ARG 45 -6.474 -1.184 -7.301 295 HG2 ARG 45 HG2 ARG 45 -5.888 -2.762 -4.990 296 HG3 ARG 45 HG3 ARG 45 -7.244 -1.685 -4.650 297 HD2 ARG 45 HD2 ARG 45 -6.998 -3.656 -6.916 298 HD3 ARG 45 HD3 ARG 45 -8.100 -3.742 -5.542 299 HE ARG 45 HE ARG 45 -8.418 -2.162 -7.930 300 HH11 ARG 45 HH11 ARG 45 -9.332 -2.563 -4.595 301 HH12 ARG 45 HH12 ARG 45 -10.823 -1.696 -4.764 302 HH21 ARG 45 HH21 ARG 45 -10.378 -1.020 -8.166 303 HH22 ARG 45 HH22 ARG 45 -11.417 -0.820 -6.796 304 H GLN 46 H GLN 46 -4.154 1.222 -5.812 305 HA GLN 46 HA GLN 46 -4.055 2.436 -8.318 306 HB2 GLN 46 HB2 GLN 46 -2.727 3.306 -5.745 307 HB3 GLN 46 HB3 GLN 46 -2.961 4.329 -7.157 308 HG2 GLN 46 HG2 GLN 46 -5.417 3.971 -6.914 309 HG3 GLN 46 HG3 GLN 46 -5.087 3.140 -5.396 310 HE21 GLN 46 HE21 GLN 46 -2.966 4.794 -4.533 311 HE22 GLN 46 HE22 GLN 46 -3.631 6.330 -4.107 312 H ALA 47 H ALA 47 -1.352 1.438 -6.224 313 HA ALA 47 HA ALA 47 0.730 2.178 -7.922 314 HB1 ALA 47 HB1 ALA 47 0.646 -0.107 -5.955 315 HB2 ALA 47 HB2 ALA 47 2.106 0.590 -6.660 316 HB3 ALA 47 HB3 ALA 47 1.089 1.562 -5.596 317 H ALA 48 H ALA 48 -0.554 -1.124 -7.469 318 HA ALA 48 HA ALA 48 0.798 -2.427 -9.452 319 HB1 ALA 48 HB1 ALA 48 -1.684 -3.581 -9.636 320 HB2 ALA 48 HB2 ALA 48 -0.442 -3.993 -8.453 321 HB3 ALA 48 HB3 ALA 48 -1.713 -2.846 -8.033 322 H CYS 49 H CYS 49 -2.247 -0.628 -9.812 323 HA CYS 49 HA CYS 49 -2.586 -1.132 -12.563 324 HB2 CYS 49 HB2 CYS 49 -4.252 -0.162 -10.820 325 HB3 CYS 49 HB3 CYS 49 -3.543 1.392 -11.244 326 H ASN 50 H ASN 50 -1.553 1.911 -11.008 327 HA ASN 50 HA ASN 50 -0.784 3.306 -13.232 328 HB2 ASN 50 HB2 ASN 50 0.667 3.311 -10.575 329 HB3 ASN 50 HB3 ASN 50 0.708 4.591 -11.784 330 HD21 ASN 50 HD21 ASN 50 -0.154 4.640 -8.989 331 HD22 ASN 50 HD22 ASN 50 -1.782 5.217 -9.008 332 H CYS 51 H CYS 51 1.089 0.890 -11.458 333 HA CYS 51 HA CYS 51 3.547 1.183 -12.708 334 HB2 CYS 51 HB2 CYS 51 2.150 -1.216 -11.543 335 HB3 CYS 51 HB3 CYS 51 3.762 -1.343 -12.239 336 H LEU 52 H LEU 52 0.829 -0.906 -13.662 337 HA LEU 52 HA LEU 52 2.103 -1.828 -16.040 338 HB2 LEU 52 HB2 LEU 52 -0.826 -1.841 -15.332 339 HB3 LEU 52 HB3 LEU 52 -0.052 -2.800 -16.591 340 HG LEU 52 HG LEU 52 0.307 -3.096 -13.611 341 HD11 LEU 52 HD11 LEU 52 -0.511 -5.478 -14.418 342 HD12 LEU 52 HD12 LEU 52 -1.256 -4.518 -15.695 343 HD13 LEU 52 HD13 LEU 52 -1.648 -4.194 -14.007 344 HD21 LEU 52 HD21 LEU 52 2.375 -3.762 -14.243 345 HD22 LEU 52 HD22 LEU 52 1.885 -4.083 -15.907 346 HD23 LEU 52 HD23 LEU 52 1.516 -5.252 -14.638 347 H LYS 53 H LYS 53 -0.007 0.842 -15.247 348 HA LYS 53 HA LYS 53 -0.871 1.540 -17.815 349 HB2 LYS 53 HB2 LYS 53 -0.296 3.354 -15.465 350 HB3 LYS 53 HB3 LYS 53 -1.247 3.788 -16.879 351 HG2 LYS 53 HG2 LYS 53 -2.341 1.403 -15.830 352 HG3 LYS 53 HG3 LYS 53 -2.088 2.513 -14.481 353 HD2 LYS 53 HD2 LYS 53 -4.028 3.447 -15.085 354 HD3 LYS 53 HD3 LYS 53 -3.136 4.140 -16.442 355 HE2 LYS 53 HE2 LYS 53 -5.116 3.056 -17.275 356 HE3 LYS 53 HE3 LYS 53 -3.701 2.132 -17.778 357 HZ1 LYS 53 HZ1 LYS 53 -4.163 0.749 -15.699 358 HZ2 LYS 53 HZ2 LYS 53 -5.185 0.533 -17.029 359 HZ3 LYS 53 HZ3 LYS 53 -5.698 1.460 -15.710 360 H SER 54 H SER 54 2.067 2.397 -16.048 361 HA SER 54 HA SER 54 3.035 4.195 -18.042 362 HB2 SER 54 HB2 SER 54 3.802 4.447 -15.763 363 HB3 SER 54 HB3 SER 54 4.433 2.800 -15.749 364 HG SER 54 HG SER 54 5.781 4.898 -16.340 365 H ALA 55 H ALA 55 3.753 0.826 -17.194 366 HA ALA 55 HA ALA 55 5.736 0.441 -19.176 367 HB1 ALA 55 HB1 ALA 55 5.339 -1.985 -18.752 368 HB2 ALA 55 HB2 ALA 55 5.660 -1.038 -17.299 369 HB3 ALA 55 HB3 ALA 55 4.010 -1.528 -17.685 370 H ALA 56 H ALA 56 2.368 0.738 -19.384 371 HA ALA 56 HA ALA 56 2.093 -0.880 -21.780 372 HB1 ALA 56 HB1 ALA 56 0.276 0.439 -19.894 373 HB2 ALA 56 HB2 ALA 56 -0.252 0.477 -21.576 374 HB3 ALA 56 HB3 ALA 56 0.086 -1.066 -20.793 375 H GLY 57 H GLY 57 2.618 2.435 -20.899 376 HA2 GLY 57 HA2 GLY 57 1.722 3.644 -23.305 377 HA3 GLY 57 HA3 GLY 57 2.830 4.356 -22.142 378 H SER 58 H SER 58 4.623 1.949 -22.468 379 HA SER 58 HA SER 58 6.094 3.011 -24.740 380 HB2 SER 58 HB2 SER 58 6.773 1.111 -22.507 381 HB3 SER 58 HB3 SER 58 7.828 1.280 -23.910 382 HG SER 58 HG SER 58 7.823 3.582 -23.421 383 H ILE 59 H ILE 59 3.686 0.887 -24.493 384 HA ILE 59 HA ILE 59 4.818 -1.039 -26.405 385 HB ILE 59 HB ILE 59 2.144 -1.350 -25.075 386 HG12 ILE 59 HG12 ILE 59 4.829 -2.190 -23.961 387 HG13 ILE 59 HG13 ILE 59 3.760 -0.971 -23.276 388 HG21 ILE 59 HG21 ILE 59 3.639 -2.836 -26.943 389 HG22 ILE 59 HG22 ILE 59 3.652 -3.751 -25.436 390 HG23 ILE 59 HG23 ILE 59 2.118 -3.281 -26.169 391 HD11 ILE 59 HD11 ILE 59 3.687 -3.877 -23.051 392 HD12 ILE 59 HD12 ILE 59 3.035 -2.633 -21.983 393 HD13 ILE 59 HD13 ILE 59 2.123 -3.142 -23.404 394 H THR 60 H THR 60 4.211 -0.995 -28.469 395 HA THR 60 HA THR 60 2.089 0.859 -29.259 396 HB THR 60 HB THR 60 4.407 0.936 -30.312 397 HG1 THR 60 HG1 THR 60 3.468 1.742 -32.077 398 HG21 THR 60 HG21 THR 60 5.062 -0.662 -31.880 399 HG22 THR 60 HG22 THR 60 3.437 -1.333 -32.018 400 HG23 THR 60 HG23 THR 60 4.397 -1.636 -30.570 401 H LYS 61 H LYS 61 2.903 -2.525 -29.242 402 HA LYS 61 HA LYS 61 0.649 -3.216 -30.954 403 HB2 LYS 61 HB2 LYS 61 2.904 -4.769 -29.720 404 HB3 LYS 61 HB3 LYS 61 1.497 -5.601 -30.370 405 HG2 LYS 61 HG2 LYS 61 1.973 -4.208 -32.503 406 HG3 LYS 61 HG3 LYS 61 3.579 -4.007 -31.799 407 HD2 LYS 61 HD2 LYS 61 2.372 -6.735 -31.984 408 HD3 LYS 61 HD3 LYS 61 3.095 -6.000 -33.416 409 HE2 LYS 61 HE2 LYS 61 5.213 -5.824 -32.359 410 HE3 LYS 61 HE3 LYS 61 4.533 -6.218 -30.781 411 HZ1 LYS 61 HZ1 LYS 61 4.195 -8.443 -31.426 412 HZ2 LYS 61 HZ2 LYS 61 5.760 -8.057 -31.939 413 HZ3 LYS 61 HZ3 LYS 61 4.493 -8.113 -33.058 414 H LEU 62 H LEU 62 0.637 -2.136 -28.030 415 HA LEU 62 HA LEU 62 -0.508 -4.155 -26.419 416 HB2 LEU 62 HB2 LEU 62 0.434 -2.188 -25.418 417 HB3 LEU 62 HB3 LEU 62 -0.693 -1.151 -26.291 418 HG LEU 62 HG LEU 62 -2.539 -2.293 -24.971 419 HD11 LEU 62 HD11 LEU 62 -1.851 -4.138 -23.896 420 HD12 LEU 62 HD12 LEU 62 -1.308 -3.003 -22.661 421 HD13 LEU 62 HD13 LEU 62 -0.167 -3.615 -23.859 422 HD21 LEU 62 HD21 LEU 62 -2.490 -0.440 -23.749 423 HD22 LEU 62 HD22 LEU 62 -0.875 -0.123 -24.383 424 HD23 LEU 62 HD23 LEU 62 -1.070 -0.999 -22.864 425 H ASN 63 H ASN 63 -2.487 -4.999 -26.394 426 HA ASN 63 HA ASN 63 -4.550 -3.739 -28.065 427 HB2 ASN 63 HB2 ASN 63 -4.187 -6.592 -27.137 428 HB3 ASN 63 HB3 ASN 63 -5.642 -6.018 -27.947 429 HD21 ASN 63 HD21 ASN 63 -5.675 -6.548 -29.996 430 HD22 ASN 63 HD22 ASN 63 -4.316 -6.606 -31.061 431 H THR 64 H THR 64 -5.339 -2.256 -26.567 432 HA THR 64 HA THR 64 -5.934 -2.638 -23.908 433 HB THR 64 HB THR 64 -7.505 -0.815 -24.064 434 HG1 THR 64 HG1 THR 64 -7.439 -1.336 -26.865 435 HG21 THR 64 HG21 THR 64 -5.392 -0.264 -26.139 436 HG22 THR 64 HG22 THR 64 -5.027 -0.398 -24.418 437 HG23 THR 64 HG23 THR 64 -6.115 0.864 -24.994 438 H ASN 65 H ASN 65 -7.659 -3.786 -26.709 439 HA ASN 65 HA ASN 65 -10.127 -4.373 -25.479 440 HB2 ASN 65 HB2 ASN 65 -8.740 -5.195 -27.980 441 HB3 ASN 65 HB3 ASN 65 -10.073 -6.206 -27.429 442 HD21 ASN 65 HD21 ASN 65 -11.477 -5.689 -29.040 443 HD22 ASN 65 HD22 ASN 65 -12.164 -4.117 -29.241 444 H ASN 66 H ASN 66 -7.158 -6.248 -25.869 445 HA ASN 66 HA ASN 66 -8.249 -8.619 -24.684 446 HB2 ASN 66 HB2 ASN 66 -5.360 -7.852 -25.160 447 HB3 ASN 66 HB3 ASN 66 -5.947 -9.464 -24.765 448 HD21 ASN 66 HD21 ASN 66 -5.798 -10.699 -26.485 449 HD22 ASN 66 HD22 ASN 66 -6.245 -10.262 -28.096 450 H ALA 67 H ALA 67 -6.845 -5.717 -23.506 451 HA ALA 67 HA ALA 67 -5.918 -6.744 -21.001 452 HB1 ALA 67 HB1 ALA 67 -4.867 -4.790 -21.067 453 HB2 ALA 67 HB2 ALA 67 -5.902 -4.221 -22.377 454 HB3 ALA 67 HB3 ALA 67 -6.404 -4.006 -20.700 455 H ALA 68 H ALA 68 -8.893 -5.259 -22.158 456 HA ALA 68 HA ALA 68 -10.073 -5.022 -19.557 457 HB1 ALA 68 HB1 ALA 68 -12.002 -5.088 -21.699 458 HB2 ALA 68 HB2 ALA 68 -11.560 -3.761 -20.624 459 HB3 ALA 68 HB3 ALA 68 -10.641 -4.042 -22.103 460 H ALA 69 H ALA 69 -10.272 -7.342 -22.215 461 HA ALA 69 HA ALA 69 -12.215 -8.968 -20.805 462 HB1 ALA 69 HB1 ALA 69 -12.266 -8.680 -23.277 463 HB2 ALA 69 HB2 ALA 69 -10.763 -9.598 -23.369 464 HB3 ALA 69 HB3 ALA 69 -12.227 -10.364 -22.752 465 H LEU 70 H LEU 70 -8.911 -8.577 -20.683 466 HA LEU 70 HA LEU 70 -7.870 -11.148 -20.552 467 HB2 LEU 70 HB2 LEU 70 -6.220 -9.584 -20.488 468 HB3 LEU 70 HB3 LEU 70 -7.128 -8.512 -19.424 469 HG LEU 70 HG LEU 70 -6.573 -9.957 -17.516 470 HD11 LEU 70 HD11 LEU 70 -5.736 -11.739 -19.620 471 HD12 LEU 70 HD12 LEU 70 -5.998 -12.065 -17.907 472 HD13 LEU 70 HD13 LEU 70 -4.433 -11.468 -18.461 473 HD21 LEU 70 HD21 LEU 70 -3.952 -9.414 -18.804 474 HD22 LEU 70 HD22 LEU 70 -4.521 -9.019 -17.182 475 HD23 LEU 70 HD23 LEU 70 -5.057 -8.061 -18.563 476 HA PRO 71 HA PRO 71 -8.812 -11.205 -15.814 477 HB2 PRO 71 HB2 PRO 71 -10.426 -9.251 -14.841 478 HB3 PRO 71 HB3 PRO 71 -8.668 -9.089 -14.930 479 HG2 PRO 71 HG2 PRO 71 -10.764 -8.029 -16.786 480 HG3 PRO 71 HG3 PRO 71 -9.310 -7.226 -16.166 481 HD2 PRO 71 HD2 PRO 71 -9.432 -8.307 -18.645 482 HD3 PRO 71 HD3 PRO 71 -7.932 -8.262 -17.696 483 H GLY 72 H GLY 72 -11.284 -10.119 -18.055 484 HA2 GLY 72 HA2 GLY 72 -13.505 -11.257 -16.686 485 HA3 GLY 72 HA3 GLY 72 -13.469 -10.766 -18.373 486 H LYS 73 H LYS 73 -11.399 -12.434 -19.278 487 HA LYS 73 HA LYS 73 -12.856 -14.855 -19.672 488 HB2 LYS 73 HB2 LYS 73 -10.271 -13.727 -20.622 489 HB3 LYS 73 HB3 LYS 73 -10.482 -15.470 -20.726 490 HG2 LYS 73 HG2 LYS 73 -11.550 -15.165 -22.639 491 HG3 LYS 73 HG3 LYS 73 -12.842 -14.364 -21.742 492 HD2 LYS 73 HD2 LYS 73 -11.917 -12.228 -22.122 493 HD3 LYS 73 HD3 LYS 73 -10.375 -12.904 -22.653 494 HE2 LYS 73 HE2 LYS 73 -12.932 -13.443 -24.132 495 HE3 LYS 73 HE3 LYS 73 -11.971 -11.998 -24.443 496 HZ1 LYS 73 HZ1 LYS 73 -11.221 -13.544 -25.990 497 HZ2 LYS 73 HZ2 LYS 73 -11.234 -14.824 -24.885 498 HZ3 LYS 73 HZ3 LYS 73 -10.052 -13.619 -24.769 499 H CYS 74 H CYS 74 -10.598 -13.806 -17.345 500 HA CYS 74 HA CYS 74 -9.757 -16.509 -16.645 501 HB2 CYS 74 HB2 CYS 74 -9.006 -13.807 -15.516 502 HB3 CYS 74 HB3 CYS 74 -8.375 -15.336 -14.915 503 H GLY 75 H GLY 75 -12.545 -15.250 -16.287 504 HA2 GLY 75 HA2 GLY 75 -14.267 -15.639 -14.808 505 HA3 GLY 75 HA3 GLY 75 -13.145 -16.582 -13.838 506 H VAL 76 H VAL 76 -11.889 -13.534 -14.425 507 HA VAL 76 HA VAL 76 -12.586 -12.691 -11.709 508 HB VAL 76 HB VAL 76 -10.548 -11.387 -13.502 509 HG11 VAL 76 HG11 VAL 76 -11.418 -11.108 -10.720 510 HG12 VAL 76 HG12 VAL 76 -9.668 -11.199 -10.930 511 HG13 VAL 76 HG13 VAL 76 -10.595 -9.959 -11.774 512 HG21 VAL 76 HG21 VAL 76 -10.441 -13.989 -12.179 513 HG22 VAL 76 HG22 VAL 76 -9.411 -13.317 -13.443 514 HG23 VAL 76 HG23 VAL 76 -9.104 -12.921 -11.752 515 H ASN 77 H ASN 77 -13.149 -10.470 -11.283 516 HA ASN 77 HA ASN 77 -14.290 -9.029 -13.574 517 HB2 ASN 77 HB2 ASN 77 -15.693 -10.016 -11.143 518 HB3 ASN 77 HB3 ASN 77 -16.137 -8.419 -11.738 519 HD21 ASN 77 HD21 ASN 77 -17.417 -11.192 -11.691 520 HD22 ASN 77 HD22 ASN 77 -18.005 -11.392 -13.304 521 H ILE 78 H ILE 78 -14.751 -6.742 -13.096 522 HA ILE 78 HA ILE 78 -13.326 -5.626 -10.808 523 HB ILE 78 HB ILE 78 -12.699 -4.790 -13.642 524 HG12 ILE 78 HG12 ILE 78 -10.974 -6.191 -11.587 525 HG13 ILE 78 HG13 ILE 78 -11.667 -6.942 -13.020 526 HG21 ILE 78 HG21 ILE 78 -11.108 -3.261 -12.663 527 HG22 ILE 78 HG22 ILE 78 -12.711 -2.946 -12.000 528 HG23 ILE 78 HG23 ILE 78 -11.518 -3.823 -11.042 529 HD11 ILE 78 HD11 ILE 78 -9.283 -5.298 -12.731 530 HD12 ILE 78 HD12 ILE 78 -9.717 -6.467 -13.979 531 HD13 ILE 78 HD13 ILE 78 -10.320 -4.812 -14.073 532 HA PRO 79 HA PRO 79 -16.863 -2.972 -10.910 533 HB2 PRO 79 HB2 PRO 79 -16.006 -1.177 -9.064 534 HB3 PRO 79 HB3 PRO 79 -16.588 -2.790 -8.637 535 HG2 PRO 79 HG2 PRO 79 -13.775 -1.806 -8.924 536 HG3 PRO 79 HG3 PRO 79 -14.471 -2.855 -7.675 537 HD2 PRO 79 HD2 PRO 79 -13.025 -3.822 -9.750 538 HD3 PRO 79 HD3 PRO 79 -14.359 -4.730 -9.011 539 H TYR 80 H TYR 80 -13.611 -1.537 -11.014 540 HA TYR 80 HA TYR 80 -14.521 0.912 -12.185 541 HB2 TYR 80 HB2 TYR 80 -11.799 -0.291 -11.722 542 HB3 TYR 80 HB3 TYR 80 -12.003 1.223 -12.597 543 HD1 TYR 80 HD1 TYR 80 -12.386 -0.432 -9.330 544 HD2 TYR 80 HD2 TYR 80 -12.563 3.252 -11.450 545 HE1 TYR 80 HE1 TYR 80 -12.443 0.786 -7.194 546 HE2 TYR 80 HE2 TYR 80 -12.619 4.482 -9.320 547 HH TYR 80 HH TYR 80 -13.203 4.109 -6.995 548 H LYS 81 H LYS 81 -14.665 1.480 -14.278 549 HA LYS 81 HA LYS 81 -14.760 -0.504 -16.282 550 HB2 LYS 81 HB2 LYS 81 -14.833 2.502 -16.334 551 HB3 LYS 81 HB3 LYS 81 -14.832 1.570 -17.826 552 HG2 LYS 81 HG2 LYS 81 -16.853 0.365 -16.968 553 HG3 LYS 81 HG3 LYS 81 -16.893 1.524 -15.637 554 HD2 LYS 81 HD2 LYS 81 -16.868 3.321 -17.480 555 HD3 LYS 81 HD3 LYS 81 -17.313 2.006 -18.570 556 HE2 LYS 81 HE2 LYS 81 -19.223 1.509 -17.004 557 HE3 LYS 81 HE3 LYS 81 -18.832 3.013 -16.172 558 HZ1 LYS 81 HZ1 LYS 81 -19.034 3.429 -18.972 559 HZ2 LYS 81 HZ2 LYS 81 -19.894 4.169 -17.717 560 HZ3 LYS 81 HZ3 LYS 81 -20.449 2.715 -18.379 561 H ILE 82 H ILE 82 -13.159 -1.424 -17.367 562 HA ILE 82 HA ILE 82 -10.464 -0.803 -17.058 563 HB ILE 82 HB ILE 82 -11.915 -2.369 -19.175 564 HG12 ILE 82 HG12 ILE 82 -11.661 -3.197 -16.781 565 HG13 ILE 82 HG13 ILE 82 -11.077 -4.279 -18.041 566 HG21 ILE 82 HG21 ILE 82 -10.140 -1.927 -20.496 567 HG22 ILE 82 HG22 ILE 82 -9.113 -1.459 -19.142 568 HG23 ILE 82 HG23 ILE 82 -9.367 -3.165 -19.507 569 HD11 ILE 82 HD11 ILE 82 -8.798 -3.602 -17.604 570 HD12 ILE 82 HD12 ILE 82 -9.354 -2.441 -16.398 571 HD13 ILE 82 HD13 ILE 82 -9.566 -4.169 -16.122 572 H SER 83 H SER 83 -9.279 0.819 -17.797 573 HA SER 83 HA SER 83 -9.515 1.782 -20.487 574 HB2 SER 83 HB2 SER 83 -11.229 3.203 -19.841 575 HB3 SER 83 HB3 SER 83 -10.605 3.380 -18.201 576 HG SER 83 HG SER 83 -9.526 4.519 -20.567 577 H THR 84 H THR 84 -7.473 2.002 -21.079 578 HA THR 84 HA THR 84 -5.326 2.215 -19.239 579 HB THR 84 HB THR 84 -3.897 2.524 -21.242 580 HG1 THR 84 HG1 THR 84 -5.256 2.177 -23.286 581 HG21 THR 84 HG21 THR 84 -5.302 0.371 -22.388 582 HG22 THR 84 HG22 THR 84 -5.601 0.291 -20.652 583 HG23 THR 84 HG23 THR 84 -3.947 0.297 -21.263 584 H THR 85 H THR 85 -7.437 4.524 -20.479 585 HA THR 85 HA THR 85 -5.517 6.718 -20.275 586 HB THR 85 HB THR 85 -7.288 8.148 -21.152 587 HG1 THR 85 HG1 THR 85 -9.294 7.086 -21.778 588 HG21 THR 85 HG21 THR 85 -6.696 7.510 -23.203 589 HG22 THR 85 HG22 THR 85 -7.737 6.090 -23.098 590 HG23 THR 85 HG23 THR 85 -6.073 6.007 -22.522 591 H THR 86 H THR 86 -7.810 5.096 -18.382 592 HA THR 86 HA THR 86 -8.654 7.301 -16.763 593 HB THR 86 HB THR 86 -8.795 4.320 -16.279 594 HG1 THR 86 HG1 THR 86 -10.739 6.243 -17.094 595 HG21 THR 86 HG21 THR 86 -10.694 5.332 -14.673 596 HG22 THR 86 HG22 THR 86 -9.509 6.634 -14.578 597 HG23 THR 86 HG23 THR 86 -9.053 4.992 -14.125 598 H ASN 87 H ASN 87 -7.939 7.925 -14.750 599 HA ASN 87 HA ASN 87 -5.197 7.199 -14.122 600 HB2 ASN 87 HB2 ASN 87 -6.350 9.590 -14.096 601 HB3 ASN 87 HB3 ASN 87 -6.755 9.119 -12.448 602 HD21 ASN 87 HD21 ASN 87 -5.322 11.168 -12.330 603 HD22 ASN 87 HD22 ASN 87 -3.643 10.868 -12.053 604 H CYS 88 H CYS 88 -5.180 5.216 -13.167 605 HA CYS 88 HA CYS 88 -7.057 4.245 -11.329 606 HB2 CYS 88 HB2 CYS 88 -4.139 3.503 -11.636 607 HB3 CYS 88 HB3 CYS 88 -5.339 2.564 -10.754 608 H ASN 89 H ASN 89 -4.653 6.609 -10.959 609 HA ASN 89 HA ASN 89 -4.062 6.225 -8.199 610 HB2 ASN 89 HB2 ASN 89 -3.310 8.060 -10.295 611 HB3 ASN 89 HB3 ASN 89 -3.688 8.946 -8.820 612 HD21 ASN 89 HD21 ASN 89 -1.179 7.996 -10.403 613 HD22 ASN 89 HD22 ASN 89 -0.122 7.468 -9.142 614 H THR 90 H THR 90 -6.780 7.390 -9.835 615 HA THR 90 HA THR 90 -7.687 8.945 -7.513 616 HB THR 90 HB THR 90 -9.448 9.830 -8.963 617 HG1 THR 90 HG1 THR 90 -8.218 8.408 -11.099 618 HG21 THR 90 HG21 THR 90 -7.874 10.887 -10.734 619 HG22 THR 90 HG22 THR 90 -6.601 10.015 -9.882 620 HG23 THR 90 HG23 THR 90 -7.576 11.209 -9.027 621 H VAL 91 H VAL 91 -7.602 5.945 -7.821 622 HA VAL 91 HA VAL 91 -10.452 5.287 -7.723 623 HB VAL 91 HB VAL 91 -9.846 3.001 -7.889 624 HG11 VAL 91 HG11 VAL 91 -8.147 4.754 -9.644 625 HG12 VAL 91 HG12 VAL 91 -8.269 3.009 -9.877 626 HG13 VAL 91 HG13 VAL 91 -9.708 4.021 -10.011 627 HG21 VAL 91 HG21 VAL 91 -7.380 3.908 -6.668 628 HG22 VAL 91 HG22 VAL 91 -8.097 2.297 -6.696 629 HG23 VAL 91 HG23 VAL 91 -7.083 2.834 -8.035 630 H LYS 92 H LYS 92 -10.799 3.360 -6.028 631 HA LYS 92 HA LYS 92 -9.449 3.732 -3.518 632 HB2 LYS 92 HB2 LYS 92 -10.798 5.566 -3.099 633 HB3 LYS 92 HB3 LYS 92 -12.148 4.915 -4.019 634 HG2 LYS 92 HG2 LYS 92 -12.639 3.339 -2.254 635 HG3 LYS 92 HG3 LYS 92 -11.228 3.882 -1.344 636 HD2 LYS 92 HD2 LYS 92 -13.049 4.993 -0.358 637 HD3 LYS 92 HD3 LYS 92 -12.292 6.200 -1.400 638 HE2 LYS 92 HE2 LYS 92 -13.961 5.654 -3.153 639 HE3 LYS 92 HE3 LYS 92 -14.751 4.564 -2.014 640 HZ1 LYS 92 HZ1 LYS 92 -14.745 6.715 -0.539 641 HZ2 LYS 92 HZ2 LYS 92 -15.960 6.447 -1.685 642 HZ3 LYS 92 HZ3 LYS 92 -14.677 7.491 -2.041 643 H PHE 93 H PHE 93 -9.743 2.022 -2.144 644 HA PHE 93 HA PHE 93 -10.604 -0.414 -3.177 645 HB2 PHE 93 HB2 PHE 93 -10.123 -1.339 -1.081 646 HB3 PHE 93 HB3 PHE 93 -9.083 0.080 -1.146 647 HD1 PHE 93 HD1 PHE 93 -10.968 -1.719 1.005 648 HD2 PHE 93 HD2 PHE 93 -10.569 2.296 -0.349 649 HE1 PHE 93 HE1 PHE 93 -11.946 -0.914 3.115 650 HE2 PHE 93 HE2 PHE 93 -11.546 3.108 1.758 651 HZ PHE 93 HZ PHE 93 -12.235 1.502 3.494 652 HC11 PGM 101 H11 PPG 103 9.765 -4.562 -15.758 653 HC12 PGM 101 H12 PPG 103 8.963 -4.923 -14.376 654 HO1 PGM 101 H1 PPG 103 11.452 -3.654 -14.610 655 HC2 PGM 101 H2A PPG 103 11.537 -6.214 -14.849 656 HO2 PGM 101 H2 PPG 103 10.177 -6.166 -12.809 657 HC31 PGM 101 H31 PPG 103 8.861 -6.952 -15.809 658 HC32 PGM 101 H32 PPG 103 10.062 -8.064 -15.702 659 HC71 PGM 101 H91 PPG 103 9.053 -5.468 -19.951 660 HC72 PGM 101 H92 PPG 103 9.278 -5.081 -18.389 661 HC8 PGM 101 H10A PPG 103 7.879 -3.458 -19.419 662 HO8 PGM 101 H10 PPG 103 5.863 -3.990 -18.039 663 HC91 PGM 101 H111 PPG 103 6.291 -5.847 -19.998 664 HC92 PGM 101 H112 PPG 103 6.733 -4.716 -21.082 665 HCB1 PGM 101 H151 PPG 103 2.585 -3.684 -20.320 666 HCB2 PGM 101 H152 PPG 103 2.673 -3.822 -18.697 667 HCC1 PGM 101 H161 PPG 103 1.879 -6.227 -19.192 668 HCC2 PGM 101 H162 PPG 103 1.275 -5.521 -20.532 669 HCD1 PGM 101 H171 PPG 103 0.841 -4.203 -18.034 670 HCD2 PGM 101 H172 PPG 103 -0.094 -5.489 -18.376 671 HCE1 PGM 101 H181 PPG 103 -1.026 -4.438 -20.201 672 HCE2 PGM 101 H182 PPG 103 0.101 -3.263 -20.177 673 HCF1 PGM 101 H191 PPG 103 -1.001 -2.062 -18.749 674 HCF2 PGM 101 H192 PPG 103 -1.460 -3.362 -17.879 675 HCG1 PGM 101 H201 PPG 103 -2.863 -3.024 -20.288 676 HCG2 PGM 101 H202 PPG 103 -3.135 -1.877 -19.167 677 HCH1 PGM 101 H211 PPG 103 -3.528 -3.978 -17.693 678 HCH2 PGM 101 H212 PPG 103 -3.989 -4.576 -19.143 679 HCI1 PGM 101 H221 PPG 103 -5.931 -3.553 -18.625 680 HCI2 PGM 101 H222 PPG 103 -5.166 -2.262 -19.279 681 HCJ1 PGM 101 H231 PPG 103 -6.100 -1.641 -17.214 682 HCJ2 PGM 101 H232 PPG 103 -4.468 -1.591 -17.100 683 HCK1 PGM 101 H241 PPG 103 -4.388 -3.291 -15.659 684 HCK2 PGM 101 H242 PPG 103 -5.710 -4.016 -16.284 685 HCL1 PGM 101 H251 PPG 103 -7.095 -2.301 -15.251 686 HCL2 PGM 101 H252 PPG 103 -5.756 -1.678 -14.548 687 HCM1 PGM 101 H261 PPG 103 -6.166 -4.512 -14.230 688 HCM2 PGM 101 H262 PPG 103 -7.095 -3.543 -13.307 689 HCN1 PGM 101 H271 PPG 103 -5.139 -2.401 -12.530 690 HCN2 PGM 101 H272 PPG 103 -4.198 -3.351 -13.460 691 HCO1 PGM 101 H281 PPG 103 -5.994 -4.705 -11.740 692 HCO2 PGM 101 H282 PPG 103 -4.753 -3.947 -10.986 693 HCP1 PGM 101 H291 PPG 103 -4.285 -6.234 -11.222 694 HCP2 PGM 101 H292 PPG 103 -4.455 -6.111 -12.842 695 HCP3 PGM 101 H293 PPG 103 -3.219 -5.354 -12.100 Start of MODEL 18 1 H ALA 1 H ALA 1 1.320 0.097 -0.934 2 HA ALA 1 HA ALA 1 3.590 -0.045 -0.871 3 HB1 ALA 1 HB1 ALA 1 4.558 -0.671 1.120 4 HB2 ALA 1 HB2 ALA 1 2.892 -0.377 1.622 5 HB3 ALA 1 HB3 ALA 1 3.455 -2.027 1.355 6 H ILE 2 H ILE 2 2.256 -1.764 -2.664 7 HA ILE 2 HA ILE 2 3.408 -4.391 -2.526 8 HB ILE 2 HB ILE 2 2.409 -4.784 -4.685 9 HG12 ILE 2 HG12 ILE 2 1.808 -1.818 -4.724 10 HG13 ILE 2 HG13 ILE 2 2.987 -2.641 -5.739 11 HG21 ILE 2 HG21 ILE 2 0.388 -4.985 -3.773 12 HG22 ILE 2 HG22 ILE 2 1.016 -4.087 -2.392 13 HG23 ILE 2 HG23 ILE 2 0.176 -3.236 -3.688 14 HD11 ILE 2 HD11 ILE 2 1.430 -3.097 -7.235 15 HD12 ILE 2 HD12 ILE 2 0.439 -3.903 -6.018 16 HD13 ILE 2 HD13 ILE 2 0.281 -2.166 -6.275 17 H SER 3 H SER 3 4.443 -5.122 -4.782 18 HA SER 3 HA SER 3 6.757 -3.346 -5.173 19 HB2 SER 3 HB2 SER 3 6.501 -6.339 -5.545 20 HB3 SER 3 HB3 SER 3 7.946 -5.405 -5.929 21 HG SER 3 HG SER 3 8.440 -5.733 -3.917 22 H CYS 4 H CYS 4 6.579 -2.172 -6.961 23 HA CYS 4 HA CYS 4 4.869 -2.566 -9.087 24 HB2 CYS 4 HB2 CYS 4 6.238 -0.497 -8.553 25 HB3 CYS 4 HB3 CYS 4 7.592 -1.288 -9.353 26 H GLY 5 H GLY 5 8.214 -3.682 -8.725 27 HA2 GLY 5 HA2 GLY 5 8.632 -4.714 -11.270 28 HA3 GLY 5 HA3 GLY 5 9.372 -5.344 -9.806 29 H ALA 6 H ALA 6 6.721 -6.005 -8.652 30 HA ALA 6 HA ALA 6 6.463 -8.608 -9.900 31 HB1 ALA 6 HB1 ALA 6 5.306 -9.282 -7.986 32 HB2 ALA 6 HB2 ALA 6 6.510 -8.143 -7.382 33 HB3 ALA 6 HB3 ALA 6 4.833 -7.633 -7.579 34 H VAL 7 H VAL 7 4.847 -5.581 -9.952 35 HA VAL 7 HA VAL 7 2.235 -6.459 -10.605 36 HB VAL 7 HB VAL 7 3.559 -3.847 -11.348 37 HG11 VAL 7 HG11 VAL 7 1.059 -4.913 -12.068 38 HG12 VAL 7 HG12 VAL 7 0.745 -3.686 -10.838 39 HG13 VAL 7 HG13 VAL 7 1.639 -3.264 -12.299 40 HG21 VAL 7 HG21 VAL 7 2.802 -2.946 -9.311 41 HG22 VAL 7 HG22 VAL 7 1.780 -4.344 -8.976 42 HG23 VAL 7 HG23 VAL 7 3.535 -4.493 -8.885 43 H THR 8 H THR 8 4.887 -5.243 -12.653 44 HA THR 8 HA THR 8 3.509 -5.856 -15.086 45 HB THR 8 HB THR 8 5.561 -5.223 -16.223 46 HG1 THR 8 HG1 THR 8 7.238 -5.966 -15.069 47 HG21 THR 8 HG21 THR 8 5.329 -3.016 -15.795 48 HG22 THR 8 HG22 THR 8 5.615 -3.217 -14.066 49 HG23 THR 8 HG23 THR 8 4.022 -3.556 -14.742 50 H SER 9 H SER 9 6.010 -7.415 -13.153 51 HA SER 9 HA SER 9 6.775 -9.399 -14.973 52 HB2 SER 9 HB2 SER 9 6.876 -9.132 -11.994 53 HB3 SER 9 HB3 SER 9 7.240 -10.698 -12.720 54 HG SER 9 HG SER 9 8.474 -8.449 -13.813 55 H ASP 10 H ASP 10 4.132 -9.282 -12.642 56 HA ASP 10 HA ASP 10 3.303 -11.952 -12.826 57 HB2 ASP 10 HB2 ASP 10 1.903 -9.396 -12.097 58 HB3 ASP 10 HB3 ASP 10 1.004 -10.907 -12.202 59 H LEU 11 H LEU 11 3.002 -9.332 -15.035 60 HA LEU 11 HA LEU 11 0.983 -10.773 -16.605 61 HB2 LEU 11 HB2 LEU 11 1.967 -7.937 -16.636 62 HB3 LEU 11 HB3 LEU 11 1.020 -8.605 -17.963 63 HG LEU 11 HG LEU 11 0.143 -8.195 -15.109 64 HD11 LEU 11 HD11 LEU 11 -0.891 -7.072 -17.708 65 HD12 LEU 11 HD12 LEU 11 0.132 -6.211 -16.559 66 HD13 LEU 11 HD13 LEU 11 -1.494 -6.708 -16.092 67 HD21 LEU 11 HD21 LEU 11 -2.094 -8.971 -16.365 68 HD22 LEU 11 HD22 LEU 11 -1.046 -10.082 -15.482 69 HD23 LEU 11 HD23 LEU 11 -0.915 -9.951 -17.237 70 H SER 12 H SER 12 4.022 -11.217 -16.333 71 HA SER 12 HA SER 12 5.337 -10.588 -18.691 72 HB2 SER 12 HB2 SER 12 6.848 -11.530 -17.281 73 HB3 SER 12 HB3 SER 12 5.656 -12.616 -16.568 74 HG SER 12 HG SER 12 7.206 -12.948 -18.890 75 HA PRO 13 HA PRO 13 3.828 -14.761 -20.596 76 HB2 PRO 13 HB2 PRO 13 1.900 -16.123 -19.255 77 HB3 PRO 13 HB3 PRO 13 3.627 -16.372 -18.970 78 HG2 PRO 13 HG2 PRO 13 1.665 -14.736 -17.408 79 HG3 PRO 13 HG3 PRO 13 2.936 -15.823 -16.818 80 HD2 PRO 13 HD2 PRO 13 3.235 -13.133 -16.882 81 HD3 PRO 13 HD3 PRO 13 4.595 -14.251 -17.115 82 H CYS 14 H CYS 14 1.770 -12.451 -19.107 83 HA CYS 14 HA CYS 14 -0.497 -13.006 -20.834 84 HB2 CYS 14 HB2 CYS 14 -0.047 -10.770 -18.845 85 HB3 CYS 14 HB3 CYS 14 -1.562 -11.115 -19.674 86 H LEU 15 H LEU 15 2.252 -10.900 -20.709 87 HA LEU 15 HA LEU 15 1.544 -8.734 -22.209 88 HB2 LEU 15 HB2 LEU 15 3.829 -9.448 -21.227 89 HB3 LEU 15 HB3 LEU 15 4.094 -10.186 -22.805 90 HG LEU 15 HG LEU 15 3.899 -8.016 -23.880 91 HD11 LEU 15 HD11 LEU 15 4.010 -6.070 -22.037 92 HD12 LEU 15 HD12 LEU 15 2.966 -7.217 -21.199 93 HD13 LEU 15 HD13 LEU 15 2.510 -6.611 -22.791 94 HD21 LEU 15 HD21 LEU 15 6.000 -7.267 -23.337 95 HD22 LEU 15 HD22 LEU 15 6.046 -8.898 -22.667 96 HD23 LEU 15 HD23 LEU 15 5.763 -7.517 -21.607 97 H THR 16 H THR 16 2.331 -11.971 -23.393 98 HA THR 16 HA THR 16 2.370 -11.482 -26.122 99 HB THR 16 HB THR 16 1.359 -13.941 -24.682 100 HG1 THR 16 HG1 THR 16 3.448 -14.644 -24.872 101 HG21 THR 16 HG21 THR 16 0.786 -14.762 -26.672 102 HG22 THR 16 HG22 THR 16 2.454 -14.570 -27.211 103 HG23 THR 16 HG23 THR 16 1.291 -13.268 -27.460 104 H TYR 17 H TYR 17 -0.417 -12.833 -24.345 105 HA TYR 17 HA TYR 17 -2.264 -12.459 -26.416 106 HB2 TYR 17 HB2 TYR 17 -2.801 -13.981 -24.655 107 HB3 TYR 17 HB3 TYR 17 -2.633 -12.727 -23.431 108 HD1 TYR 17 HD1 TYR 17 -4.502 -11.519 -22.726 109 HD2 TYR 17 HD2 TYR 17 -4.693 -13.698 -26.376 110 HE1 TYR 17 HE1 TYR 17 -6.910 -11.042 -22.878 111 HE2 TYR 17 HE2 TYR 17 -7.102 -13.225 -26.538 112 HH TYR 17 HH TYR 17 -8.657 -10.916 -24.599 113 H LEU 18 H LEU 18 -1.172 -10.324 -23.865 114 HA LEU 18 HA LEU 18 -3.217 -8.370 -24.180 115 HB2 LEU 18 HB2 LEU 18 -0.474 -8.280 -22.951 116 HB3 LEU 18 HB3 LEU 18 -1.561 -6.893 -22.965 117 HG LEU 18 HG LEU 18 -2.024 -9.533 -21.580 118 HD11 LEU 18 HD11 LEU 18 -1.532 -6.754 -20.520 119 HD12 LEU 18 HD12 LEU 18 -0.419 -8.119 -20.438 120 HD13 LEU 18 HD13 LEU 18 -1.938 -8.166 -19.544 121 HD21 LEU 18 HD21 LEU 18 -3.885 -7.619 -20.734 122 HD22 LEU 18 HD22 LEU 18 -4.195 -9.076 -21.679 123 HD23 LEU 18 HD23 LEU 18 -3.885 -7.544 -22.496 124 H THR 19 H THR 19 -0.272 -9.071 -25.846 125 HA THR 19 HA THR 19 -0.247 -6.470 -27.176 126 HB THR 19 HB THR 19 1.829 -7.316 -28.277 127 HG1 THR 19 HG1 THR 19 2.712 -9.270 -27.433 128 HG21 THR 19 HG21 THR 19 2.843 -6.307 -26.571 129 HG22 THR 19 HG22 THR 19 2.721 -7.790 -25.623 130 HG23 THR 19 HG23 THR 19 1.431 -6.590 -25.554 131 H GLY 20 H GLY 20 -2.379 -8.500 -27.607 132 HA2 GLY 20 HA2 GLY 20 -3.694 -8.849 -29.509 133 HA3 GLY 20 HA3 GLY 20 -2.322 -8.405 -30.512 134 H GLY 21 H GLY 21 -1.109 -10.537 -28.356 135 HA2 GLY 21 HA2 GLY 21 -0.937 -12.629 -30.300 136 HA3 GLY 21 HA3 GLY 21 -0.299 -12.674 -28.663 137 HA PRO 22 HA PRO 22 -4.044 -15.494 -29.131 138 HB2 PRO 22 HB2 PRO 22 -2.749 -17.821 -28.607 139 HB3 PRO 22 HB3 PRO 22 -2.914 -17.160 -30.238 140 HG2 PRO 22 HG2 PRO 22 -0.588 -17.010 -28.360 141 HG3 PRO 22 HG3 PRO 22 -0.599 -17.333 -30.103 142 HD2 PRO 22 HD2 PRO 22 0.011 -14.903 -29.076 143 HD3 PRO 22 HD3 PRO 22 -0.799 -15.101 -30.643 144 H GLY 23 H GLY 23 -5.182 -16.382 -27.409 145 HA2 GLY 23 HA2 GLY 23 -4.614 -17.401 -25.061 146 HA3 GLY 23 HA3 GLY 23 -4.073 -15.755 -24.770 147 HA PRO 24 HA PRO 24 -4.494 -15.111 -22.962 148 HB2 PRO 24 HB2 PRO 24 -5.663 -15.539 -20.549 149 HB3 PRO 24 HB3 PRO 24 -5.786 -14.004 -21.417 150 HG2 PRO 24 HG2 PRO 24 -7.755 -16.253 -21.258 151 HG3 PRO 24 HG3 PRO 24 -8.042 -14.506 -21.160 152 HD2 PRO 24 HD2 PRO 24 -8.483 -15.930 -23.421 153 HD3 PRO 24 HD3 PRO 24 -7.953 -14.236 -23.448 154 H SER 25 H SER 25 -2.990 -16.597 -22.525 155 HA SER 25 HA SER 25 -3.528 -19.369 -22.708 156 HB2 SER 25 HB2 SER 25 -1.249 -19.652 -22.658 157 HB3 SER 25 HB3 SER 25 -1.305 -17.938 -23.067 158 HG SER 25 HG SER 25 -0.049 -18.943 -21.073 159 HA PRO 26 HA PRO 26 -4.400 -20.630 -18.599 160 HB2 PRO 26 HB2 PRO 26 -2.935 -22.900 -18.331 161 HB3 PRO 26 HB3 PRO 26 -4.378 -22.802 -19.348 162 HG2 PRO 26 HG2 PRO 26 -1.493 -22.640 -20.132 163 HG3 PRO 26 HG3 PRO 26 -2.820 -23.512 -20.922 164 HD2 PRO 26 HD2 PRO 26 -1.910 -21.123 -21.816 165 HD3 PRO 26 HD3 PRO 26 -3.608 -21.617 -21.971 166 H GLN 27 H GLN 27 -0.993 -20.387 -19.443 167 HA GLN 27 HA GLN 27 -0.071 -20.428 -16.727 168 HB2 GLN 27 HB2 GLN 27 1.364 -19.498 -19.219 169 HB3 GLN 27 HB3 GLN 27 2.108 -19.863 -17.668 170 HG2 GLN 27 HG2 GLN 27 1.520 -22.188 -17.881 171 HG3 GLN 27 HG3 GLN 27 0.634 -21.859 -19.370 172 HE21 GLN 27 HE21 GLN 27 1.960 -20.834 -21.122 173 HE22 GLN 27 HE22 GLN 27 3.566 -21.430 -21.342 174 H CYS 28 H CYS 28 -1.117 -18.001 -18.987 175 HA CYS 28 HA CYS 28 0.015 -15.765 -17.621 176 HB2 CYS 28 HB2 CYS 28 -0.456 -15.178 -19.786 177 HB3 CYS 28 HB3 CYS 28 -1.908 -16.171 -19.853 178 H CYS 29 H CYS 29 -3.280 -17.105 -17.789 179 HA CYS 29 HA CYS 29 -4.589 -15.340 -16.133 180 HB2 CYS 29 HB2 CYS 29 -4.958 -18.300 -16.561 181 HB3 CYS 29 HB3 CYS 29 -6.026 -17.377 -15.509 182 H GLY 30 H GLY 30 -2.455 -17.991 -15.264 183 HA2 GLY 30 HA2 GLY 30 -3.014 -18.242 -12.556 184 HA3 GLY 30 HA3 GLY 30 -1.435 -18.520 -13.276 185 H GLY 31 H GLY 31 -0.853 -15.932 -14.165 186 HA2 GLY 31 HA2 GLY 31 0.029 -14.762 -11.699 187 HA3 GLY 31 HA3 GLY 31 0.321 -14.135 -13.314 188 H VAL 32 H VAL 32 -2.324 -13.846 -14.186 189 HA VAL 32 HA VAL 32 -2.974 -11.305 -13.362 190 HB VAL 32 HB VAL 32 -4.895 -13.407 -14.373 191 HG11 VAL 32 HG11 VAL 32 -6.285 -11.541 -15.085 192 HG12 VAL 32 HG12 VAL 32 -6.032 -11.496 -13.339 193 HG13 VAL 32 HG13 VAL 32 -5.134 -10.400 -14.390 194 HG21 VAL 32 HG21 VAL 32 -4.445 -12.564 -16.570 195 HG22 VAL 32 HG22 VAL 32 -3.416 -11.286 -15.924 196 HG23 VAL 32 HG23 VAL 32 -2.905 -12.970 -15.813 197 H LYS 33 H LYS 33 -4.232 -14.377 -12.117 198 HA LYS 33 HA LYS 33 -6.080 -13.255 -10.303 199 HB2 LYS 33 HB2 LYS 33 -4.660 -15.924 -10.221 200 HB3 LYS 33 HB3 LYS 33 -6.037 -15.486 -9.219 201 HG2 LYS 33 HG2 LYS 33 -7.520 -15.737 -10.904 202 HG3 LYS 33 HG3 LYS 33 -6.385 -15.175 -12.134 203 HD2 LYS 33 HD2 LYS 33 -5.272 -17.288 -12.175 204 HD3 LYS 33 HD3 LYS 33 -6.169 -17.851 -10.763 205 HE2 LYS 33 HE2 LYS 33 -8.223 -17.270 -12.377 206 HE3 LYS 33 HE3 LYS 33 -7.005 -17.644 -13.596 207 HZ1 LYS 33 HZ1 LYS 33 -7.296 -19.504 -11.362 208 HZ2 LYS 33 HZ2 LYS 33 -6.922 -19.812 -12.983 209 HZ3 LYS 33 HZ3 LYS 33 -8.521 -19.497 -12.529 210 H LYS 34 H LYS 34 -2.711 -14.285 -9.935 211 HA LYS 34 HA LYS 34 -2.517 -13.831 -7.162 212 HB2 LYS 34 HB2 LYS 34 -0.849 -15.167 -8.238 213 HB3 LYS 34 HB3 LYS 34 -0.437 -13.867 -9.348 214 HG2 LYS 34 HG2 LYS 34 0.779 -12.721 -7.778 215 HG3 LYS 34 HG3 LYS 34 -0.108 -13.422 -6.422 216 HD2 LYS 34 HD2 LYS 34 1.713 -15.038 -8.192 217 HD3 LYS 34 HD3 LYS 34 2.276 -14.218 -6.734 218 HE2 LYS 34 HE2 LYS 34 0.374 -15.463 -5.542 219 HE3 LYS 34 HE3 LYS 34 0.310 -16.473 -6.986 220 HZ1 LYS 34 HZ1 LYS 34 2.471 -17.247 -6.618 221 HZ2 LYS 34 HZ2 LYS 34 1.752 -17.276 -5.088 222 HZ3 LYS 34 HZ3 LYS 34 2.827 -16.034 -5.493 223 H LEU 35 H LEU 35 -2.002 -11.736 -9.951 224 HA LEU 35 HA LEU 35 -0.909 -9.549 -8.529 225 HB2 LEU 35 HB2 LEU 35 -0.553 -9.567 -10.844 226 HB3 LEU 35 HB3 LEU 35 -2.261 -9.833 -11.190 227 HG LEU 35 HG LEU 35 -2.780 -7.550 -10.602 228 HD11 LEU 35 HD11 LEU 35 -1.520 -6.456 -9.144 229 HD12 LEU 35 HD12 LEU 35 -0.262 -6.326 -10.373 230 HD13 LEU 35 HD13 LEU 35 -0.260 -7.686 -9.251 231 HD21 LEU 35 HD21 LEU 35 -0.694 -8.149 -12.615 232 HD22 LEU 35 HD22 LEU 35 -0.999 -6.449 -12.256 233 HD23 LEU 35 HD23 LEU 35 -2.313 -7.482 -12.820 234 H LEU 36 H LEU 36 -4.208 -10.140 -9.742 235 HA LEU 36 HA LEU 36 -5.338 -7.828 -8.583 236 HB2 LEU 36 HB2 LEU 36 -6.550 -10.428 -9.492 237 HB3 LEU 36 HB3 LEU 36 -7.510 -9.072 -8.903 238 HG LEU 36 HG LEU 36 -5.679 -8.924 -11.294 239 HD11 LEU 36 HD11 LEU 36 -8.673 -9.252 -11.269 240 HD12 LEU 36 HD12 LEU 36 -7.527 -10.547 -11.614 241 HD13 LEU 36 HD13 LEU 36 -7.622 -9.147 -12.681 242 HD21 LEU 36 HD21 LEU 36 -6.265 -6.816 -10.038 243 HD22 LEU 36 HD22 LEU 36 -7.942 -7.105 -10.502 244 HD23 LEU 36 HD23 LEU 36 -6.716 -6.844 -11.743 245 H ALA 37 H ALA 37 -4.858 -11.101 -7.406 246 HA ALA 37 HA ALA 37 -6.503 -10.935 -5.121 247 HB1 ALA 37 HB1 ALA 37 -5.071 -12.824 -4.278 248 HB2 ALA 37 HB2 ALA 37 -5.817 -13.085 -5.856 249 HB3 ALA 37 HB3 ALA 37 -4.111 -12.651 -5.747 250 H ALA 38 H ALA 38 -3.389 -9.643 -5.836 251 HA ALA 38 HA ALA 38 -2.650 -9.255 -3.062 252 HB1 ALA 38 HB1 ALA 38 -0.681 -8.094 -3.998 253 HB2 ALA 38 HB2 ALA 38 -0.890 -9.722 -4.646 254 HB3 ALA 38 HB3 ALA 38 -1.347 -8.321 -5.616 255 H ALA 39 H ALA 39 -3.861 -7.329 -5.758 256 HA ALA 39 HA ALA 39 -3.714 -4.842 -4.334 257 HB1 ALA 39 HB1 ALA 39 -3.615 -5.110 -6.842 258 HB2 ALA 39 HB2 ALA 39 -5.355 -5.398 -6.793 259 HB3 ALA 39 HB3 ALA 39 -4.702 -3.855 -6.244 260 H ASN 40 H ASN 40 -4.878 -5.907 -2.434 261 HA ASN 40 HA ASN 40 -7.785 -5.934 -2.769 262 HB2 ASN 40 HB2 ASN 40 -6.489 -7.775 -1.536 263 HB3 ASN 40 HB3 ASN 40 -6.285 -6.599 -0.240 264 HD21 ASN 40 HD21 ASN 40 -8.103 -5.887 0.903 265 HD22 ASN 40 HD22 ASN 40 -9.581 -6.782 0.899 266 H THR 41 H THR 41 -5.341 -3.828 -1.871 267 HA THR 41 HA THR 41 -7.135 -2.255 -0.148 268 HB THR 41 HB THR 41 -4.732 -0.974 0.029 269 HG1 THR 41 HG1 THR 41 -3.285 -2.881 0.445 270 HG21 THR 41 HG21 THR 41 -4.540 -2.766 2.077 271 HG22 THR 41 HG22 THR 41 -6.248 -2.890 1.656 272 HG23 THR 41 HG23 THR 41 -5.558 -1.327 2.093 273 H THR 42 H THR 42 -6.912 0.146 -0.387 274 HA THR 42 HA THR 42 -7.504 0.907 -3.045 275 HB THR 42 HB THR 42 -7.034 2.483 -0.525 276 HG1 THR 42 HG1 THR 42 -9.289 2.928 -0.889 277 HG21 THR 42 HG21 THR 42 -7.098 3.447 -3.315 278 HG22 THR 42 HG22 THR 42 -6.396 4.185 -1.875 279 HG23 THR 42 HG23 THR 42 -8.128 4.314 -2.177 280 HA PRO 43 HA PRO 43 -3.191 3.115 -2.906 281 HB2 PRO 43 HB2 PRO 43 -1.469 2.295 -0.974 282 HB3 PRO 43 HB3 PRO 43 -2.605 3.629 -0.745 283 HG2 PRO 43 HG2 PRO 43 -2.831 0.777 0.135 284 HG3 PRO 43 HG3 PRO 43 -3.229 2.257 1.026 285 HD2 PRO 43 HD2 PRO 43 -5.114 0.733 -0.181 286 HD3 PRO 43 HD3 PRO 43 -5.265 2.495 -0.028 287 H ASP 44 H ASP 44 -3.822 -0.205 -2.482 288 HA ASP 44 HA ASP 44 -1.271 -1.102 -3.536 289 HB2 ASP 44 HB2 ASP 44 -3.699 -2.408 -2.417 290 HB3 ASP 44 HB3 ASP 44 -2.735 -3.341 -3.558 291 H ARG 45 H ARG 45 -4.596 -0.702 -4.611 292 HA ARG 45 HA ARG 45 -4.185 -1.970 -7.146 293 HB2 ARG 45 HB2 ARG 45 -6.388 -0.049 -6.384 294 HB3 ARG 45 HB3 ARG 45 -6.410 -1.232 -7.684 295 HG2 ARG 45 HG2 ARG 45 -5.872 -2.602 -5.258 296 HG3 ARG 45 HG3 ARG 45 -7.256 -1.537 -5.002 297 HD2 ARG 45 HD2 ARG 45 -7.927 -2.556 -7.384 298 HD3 ARG 45 HD3 ARG 45 -6.966 -3.898 -6.764 299 HE ARG 45 HE ARG 45 -8.684 -4.394 -5.353 300 HH11 ARG 45 HH11 ARG 45 -9.001 -1.077 -6.359 301 HH12 ARG 45 HH12 ARG 45 -10.523 -0.845 -5.564 302 HH21 ARG 45 HH21 ARG 45 -10.688 -4.101 -4.302 303 HH22 ARG 45 HH22 ARG 45 -11.481 -2.566 -4.393 304 H GLN 46 H GLN 46 -4.262 1.370 -5.986 305 HA GLN 46 HA GLN 46 -4.151 2.707 -8.415 306 HB2 GLN 46 HB2 GLN 46 -2.841 3.465 -5.798 307 HB3 GLN 46 HB3 GLN 46 -3.090 4.555 -7.155 308 HG2 GLN 46 HG2 GLN 46 -5.386 4.619 -6.851 309 HG3 GLN 46 HG3 GLN 46 -5.401 3.127 -5.913 310 HE21 GLN 46 HE21 GLN 46 -6.723 5.331 -5.010 311 HE22 GLN 46 HE22 GLN 46 -5.921 5.972 -3.621 312 H ALA 47 H ALA 47 -1.440 1.618 -6.379 313 HA ALA 47 HA ALA 47 0.603 2.469 -8.120 314 HB1 ALA 47 HB1 ALA 47 1.863 0.531 -6.833 315 HB2 ALA 47 HB2 ALA 47 1.441 2.050 -6.041 316 HB3 ALA 47 HB3 ALA 47 0.435 0.621 -5.801 317 H ALA 48 H ALA 48 -0.830 -0.760 -7.647 318 HA ALA 48 HA ALA 48 0.622 -2.186 -9.500 319 HB1 ALA 48 HB1 ALA 48 -1.270 -3.720 -9.625 320 HB2 ALA 48 HB2 ALA 48 -0.979 -3.207 -7.962 321 HB3 ALA 48 HB3 ALA 48 -2.312 -2.507 -8.881 322 H CYS 49 H CYS 49 -2.374 -0.350 -10.061 323 HA CYS 49 HA CYS 49 -2.540 -0.911 -12.824 324 HB2 CYS 49 HB2 CYS 49 -4.413 -0.060 -11.384 325 HB3 CYS 49 HB3 CYS 49 -3.633 1.518 -11.394 326 H ASN 50 H ASN 50 -1.478 2.053 -11.145 327 HA ASN 50 HA ASN 50 -0.658 3.512 -13.335 328 HB2 ASN 50 HB2 ASN 50 0.598 3.427 -10.583 329 HB3 ASN 50 HB3 ASN 50 0.883 4.686 -11.781 330 HD21 ASN 50 HD21 ASN 50 -0.214 4.942 -9.126 331 HD22 ASN 50 HD22 ASN 50 -1.791 5.623 -9.306 332 H CYS 51 H CYS 51 0.926 0.828 -11.769 333 HA CYS 51 HA CYS 51 3.492 1.194 -12.928 334 HB2 CYS 51 HB2 CYS 51 2.085 -1.041 -11.530 335 HB3 CYS 51 HB3 CYS 51 3.560 -1.401 -12.421 336 H LEU 52 H LEU 52 0.777 -0.953 -13.765 337 HA LEU 52 HA LEU 52 2.007 -1.980 -16.109 338 HB2 LEU 52 HB2 LEU 52 -0.917 -1.877 -15.383 339 HB3 LEU 52 HB3 LEU 52 -0.193 -2.889 -16.631 340 HG LEU 52 HG LEU 52 0.200 -3.129 -13.650 341 HD11 LEU 52 HD11 LEU 52 -0.719 -5.482 -14.311 342 HD12 LEU 52 HD12 LEU 52 -1.379 -4.615 -15.698 343 HD13 LEU 52 HD13 LEU 52 -1.826 -4.132 -14.062 344 HD21 LEU 52 HD21 LEU 52 1.899 -3.938 -15.814 345 HD22 LEU 52 HD22 LEU 52 1.253 -5.358 -14.991 346 HD23 LEU 52 HD23 LEU 52 2.133 -4.132 -14.077 347 H LYS 53 H LYS 53 -0.562 0.436 -15.620 348 HA LYS 53 HA LYS 53 -1.113 1.114 -18.217 349 HB2 LYS 53 HB2 LYS 53 -1.582 2.237 -15.665 350 HB3 LYS 53 HB3 LYS 53 -0.943 3.530 -16.672 351 HG2 LYS 53 HG2 LYS 53 -2.679 3.130 -18.324 352 HG3 LYS 53 HG3 LYS 53 -3.305 1.791 -17.359 353 HD2 LYS 53 HD2 LYS 53 -4.708 3.478 -16.690 354 HD3 LYS 53 HD3 LYS 53 -3.429 3.631 -15.483 355 HE2 LYS 53 HE2 LYS 53 -3.033 5.155 -17.975 356 HE3 LYS 53 HE3 LYS 53 -4.372 5.687 -16.959 357 HZ1 LYS 53 HZ1 LYS 53 -2.060 5.188 -15.394 358 HZ2 LYS 53 HZ2 LYS 53 -2.957 6.614 -15.548 359 HZ3 LYS 53 HZ3 LYS 53 -1.701 6.284 -16.632 360 H SER 54 H SER 54 1.394 2.606 -16.168 361 HA SER 54 HA SER 54 2.451 4.315 -18.108 362 HB2 SER 54 HB2 SER 54 3.049 4.633 -15.803 363 HB3 SER 54 HB3 SER 54 3.749 3.017 -15.704 364 HG SER 54 HG SER 54 5.521 3.728 -16.606 365 H ALA 55 H ALA 55 3.338 0.991 -17.257 366 HA ALA 55 HA ALA 55 5.518 0.771 -19.035 367 HB1 ALA 55 HB1 ALA 55 3.753 -1.273 -17.718 368 HB2 ALA 55 HB2 ALA 55 5.090 -1.719 -18.778 369 HB3 ALA 55 HB3 ALA 55 5.403 -0.812 -17.299 370 H ALA 56 H ALA 56 2.095 0.594 -19.498 371 HA ALA 56 HA ALA 56 2.196 -0.826 -21.993 372 HB1 ALA 56 HB1 ALA 56 -0.204 0.726 -21.656 373 HB2 ALA 56 HB2 ALA 56 0.007 -1.025 -21.676 374 HB3 ALA 56 HB3 ALA 56 0.200 -0.131 -20.168 375 H GLY 57 H GLY 57 2.260 2.521 -20.978 376 HA2 GLY 57 HA2 GLY 57 1.585 3.754 -23.406 377 HA3 GLY 57 HA3 GLY 57 2.578 4.470 -22.146 378 H SER 58 H SER 58 4.486 2.141 -22.427 379 HA SER 58 HA SER 58 6.057 3.338 -24.566 380 HB2 SER 58 HB2 SER 58 6.752 1.281 -22.458 381 HB3 SER 58 HB3 SER 58 7.886 1.877 -23.670 382 HG SER 58 HG SER 58 7.634 3.956 -22.802 383 H ILE 59 H ILE 59 3.754 1.081 -24.509 384 HA ILE 59 HA ILE 59 5.107 -0.736 -26.383 385 HB ILE 59 HB ILE 59 2.385 -1.218 -25.207 386 HG12 ILE 59 HG12 ILE 59 5.055 -1.962 -23.993 387 HG13 ILE 59 HG13 ILE 59 3.894 -0.822 -23.322 388 HG21 ILE 59 HG21 ILE 59 2.501 -3.099 -26.376 389 HG22 ILE 59 HG22 ILE 59 4.051 -2.579 -27.034 390 HG23 ILE 59 HG23 ILE 59 3.999 -3.541 -25.557 391 HD11 ILE 59 HD11 ILE 59 3.186 -2.556 -22.119 392 HD12 ILE 59 HD12 ILE 59 2.387 -3.079 -23.603 393 HD13 ILE 59 HD13 ILE 59 3.970 -3.729 -23.176 394 H THR 60 H THR 60 4.422 -0.968 -28.452 395 HA THR 60 HA THR 60 2.372 0.924 -29.369 396 HB THR 60 HB THR 60 4.721 0.968 -30.357 397 HG1 THR 60 HG1 THR 60 2.350 0.725 -31.888 398 HG21 THR 60 HG21 THR 60 3.784 -1.370 -31.993 399 HG22 THR 60 HG22 THR 60 4.746 -1.598 -30.533 400 HG23 THR 60 HG23 THR 60 5.399 -0.672 -31.884 401 H LYS 61 H LYS 61 3.188 -2.459 -29.233 402 HA LYS 61 HA LYS 61 0.968 -3.195 -30.972 403 HB2 LYS 61 HB2 LYS 61 3.126 -4.795 -29.600 404 HB3 LYS 61 HB3 LYS 61 1.792 -5.547 -30.466 405 HG2 LYS 61 HG2 LYS 61 2.551 -4.064 -32.443 406 HG3 LYS 61 HG3 LYS 61 4.058 -3.919 -31.536 407 HD2 LYS 61 HD2 LYS 61 4.390 -5.740 -32.984 408 HD3 LYS 61 HD3 LYS 61 4.038 -6.465 -31.414 409 HE2 LYS 61 HE2 LYS 61 2.830 -7.613 -33.188 410 HE3 LYS 61 HE3 LYS 61 1.712 -6.802 -32.092 411 HZ1 LYS 61 HZ1 LYS 61 0.866 -5.732 -33.816 412 HZ2 LYS 61 HZ2 LYS 61 1.952 -6.495 -34.864 413 HZ3 LYS 61 HZ3 LYS 61 2.365 -5.021 -34.145 414 H LEU 62 H LEU 62 0.916 -2.061 -28.066 415 HA LEU 62 HA LEU 62 -0.244 -4.052 -26.433 416 HB2 LEU 62 HB2 LEU 62 0.664 -2.079 -25.437 417 HB3 LEU 62 HB3 LEU 62 -0.415 -1.047 -26.373 418 HG LEU 62 HG LEU 62 -2.312 -2.216 -25.082 419 HD11 LEU 62 HD11 LEU 62 -1.101 -2.666 -22.683 420 HD12 LEU 62 HD12 LEU 62 0.067 -3.349 -23.813 421 HD13 LEU 62 HD13 LEU 62 -1.602 -3.920 -23.819 422 HD21 LEU 62 HD21 LEU 62 -2.203 -0.054 -24.453 423 HD22 LEU 62 HD22 LEU 62 -0.453 -0.093 -24.230 424 HD23 LEU 62 HD23 LEU 62 -1.517 -0.735 -22.977 425 H ASN 63 H ASN 63 -2.204 -4.930 -26.462 426 HA ASN 63 HA ASN 63 -4.263 -3.686 -28.151 427 HB2 ASN 63 HB2 ASN 63 -3.862 -6.541 -27.248 428 HB3 ASN 63 HB3 ASN 63 -5.325 -5.985 -28.056 429 HD21 ASN 63 HD21 ASN 63 -5.364 -6.323 -30.146 430 HD22 ASN 63 HD22 ASN 63 -3.993 -6.413 -31.194 431 H THR 64 H THR 64 -5.117 -2.233 -26.669 432 HA THR 64 HA THR 64 -5.733 -2.646 -24.014 433 HB THR 64 HB THR 64 -7.336 -0.846 -24.181 434 HG1 THR 64 HG1 THR 64 -8.458 -1.444 -26.046 435 HG21 THR 64 HG21 THR 64 -5.910 0.843 -24.901 436 HG22 THR 64 HG22 THR 64 -5.272 -0.125 -26.229 437 HG23 THR 64 HG23 THR 64 -4.795 -0.481 -24.570 438 H ASN 65 H ASN 65 -7.395 -3.798 -26.849 439 HA ASN 65 HA ASN 65 -9.878 -4.422 -25.670 440 HB2 ASN 65 HB2 ASN 65 -8.431 -5.216 -28.145 441 HB3 ASN 65 HB3 ASN 65 -9.757 -6.250 -27.624 442 HD21 ASN 65 HD21 ASN 65 -9.112 -3.958 -29.711 443 HD22 ASN 65 HD22 ASN 65 -10.606 -3.091 -29.745 444 H ASN 66 H ASN 66 -6.882 -6.267 -26.019 445 HA ASN 66 HA ASN 66 -7.964 -8.652 -24.858 446 HB2 ASN 66 HB2 ASN 66 -5.077 -7.846 -25.274 447 HB3 ASN 66 HB3 ASN 66 -5.651 -9.467 -24.894 448 HD21 ASN 66 HD21 ASN 66 -5.512 -10.713 -26.603 449 HD22 ASN 66 HD22 ASN 66 -5.909 -10.270 -28.225 450 H ALA 67 H ALA 67 -6.577 -5.744 -23.647 451 HA ALA 67 HA ALA 67 -5.708 -6.770 -21.125 452 HB1 ALA 67 HB1 ALA 67 -4.701 -4.796 -21.077 453 HB2 ALA 67 HB2 ALA 67 -5.595 -4.286 -22.509 454 HB3 ALA 67 HB3 ALA 67 -6.268 -4.006 -20.903 455 H ALA 68 H ALA 68 -8.673 -5.322 -22.345 456 HA ALA 68 HA ALA 68 -9.907 -5.074 -19.772 457 HB1 ALA 68 HB1 ALA 68 -10.528 -4.352 -22.482 458 HB2 ALA 68 HB2 ALA 68 -11.918 -5.125 -21.719 459 HB3 ALA 68 HB3 ALA 68 -11.179 -3.708 -20.974 460 H ALA 69 H ALA 69 -10.023 -7.431 -22.402 461 HA ALA 69 HA ALA 69 -11.961 -9.070 -20.998 462 HB1 ALA 69 HB1 ALA 69 -12.127 -8.895 -23.411 463 HB2 ALA 69 HB2 ALA 69 -10.495 -9.539 -23.592 464 HB3 ALA 69 HB3 ALA 69 -11.779 -10.559 -22.944 465 H LEU 70 H LEU 70 -8.651 -8.640 -20.886 466 HA LEU 70 HA LEU 70 -7.595 -11.203 -20.700 467 HB2 LEU 70 HB2 LEU 70 -5.954 -9.626 -20.686 468 HB3 LEU 70 HB3 LEU 70 -6.861 -8.536 -19.639 469 HG LEU 70 HG LEU 70 -6.288 -9.953 -17.706 470 HD11 LEU 70 HD11 LEU 70 -4.120 -11.431 -18.660 471 HD12 LEU 70 HD12 LEU 70 -5.439 -11.751 -19.785 472 HD13 LEU 70 HD13 LEU 70 -5.659 -12.050 -18.061 473 HD21 LEU 70 HD21 LEU 70 -3.646 -9.436 -18.906 474 HD22 LEU 70 HD22 LEU 70 -4.333 -8.877 -17.381 475 HD23 LEU 70 HD23 LEU 70 -4.767 -8.075 -18.891 476 HA PRO 71 HA PRO 71 -8.510 -11.146 -15.957 477 HB2 PRO 71 HB2 PRO 71 -10.127 -9.176 -15.023 478 HB3 PRO 71 HB3 PRO 71 -8.371 -9.008 -15.126 479 HG2 PRO 71 HG2 PRO 71 -10.483 -8.004 -16.996 480 HG3 PRO 71 HG3 PRO 71 -9.028 -7.180 -16.404 481 HD2 PRO 71 HD2 PRO 71 -9.160 -8.322 -18.855 482 HD3 PRO 71 HD3 PRO 71 -7.655 -8.247 -17.916 483 H GLY 72 H GLY 72 -10.997 -10.132 -18.211 484 HA2 GLY 72 HA2 GLY 72 -13.185 -11.298 -16.784 485 HA3 GLY 72 HA3 GLY 72 -13.203 -10.759 -18.457 486 H LYS 73 H LYS 73 -11.230 -12.347 -19.558 487 HA LYS 73 HA LYS 73 -12.644 -14.799 -19.899 488 HB2 LYS 73 HB2 LYS 73 -9.921 -13.926 -20.881 489 HB3 LYS 73 HB3 LYS 73 -10.735 -15.400 -21.385 490 HG2 LYS 73 HG2 LYS 73 -12.080 -12.752 -21.712 491 HG3 LYS 73 HG3 LYS 73 -10.870 -13.295 -22.877 492 HD2 LYS 73 HD2 LYS 73 -12.192 -14.983 -23.668 493 HD3 LYS 73 HD3 LYS 73 -13.026 -15.198 -22.128 494 HE2 LYS 73 HE2 LYS 73 -14.168 -13.011 -22.538 495 HE3 LYS 73 HE3 LYS 73 -13.448 -13.001 -24.148 496 HZ1 LYS 73 HZ1 LYS 73 -14.742 -15.474 -23.635 497 HZ2 LYS 73 HZ2 LYS 73 -15.016 -14.363 -24.881 498 HZ3 LYS 73 HZ3 LYS 73 -15.817 -14.188 -23.401 499 H CYS 74 H CYS 74 -10.179 -13.750 -17.769 500 HA CYS 74 HA CYS 74 -9.245 -16.451 -17.203 501 HB2 CYS 74 HB2 CYS 74 -8.411 -13.714 -16.269 502 HB3 CYS 74 HB3 CYS 74 -7.831 -15.170 -15.467 503 H GLY 75 H GLY 75 -12.015 -15.309 -16.578 504 HA2 GLY 75 HA2 GLY 75 -13.583 -15.566 -14.921 505 HA3 GLY 75 HA3 GLY 75 -12.488 -16.751 -14.225 506 H VAL 76 H VAL 76 -12.743 -13.209 -14.564 507 HA VAL 76 HA VAL 76 -12.270 -12.963 -11.687 508 HB VAL 76 HB VAL 76 -10.800 -11.135 -13.560 509 HG11 VAL 76 HG11 VAL 76 -10.973 -11.587 -10.679 510 HG12 VAL 76 HG12 VAL 76 -9.320 -11.463 -11.282 511 HG13 VAL 76 HG13 VAL 76 -10.467 -10.155 -11.575 512 HG21 VAL 76 HG21 VAL 76 -9.772 -13.745 -12.450 513 HG22 VAL 76 HG22 VAL 76 -10.078 -13.384 -14.149 514 HG23 VAL 76 HG23 VAL 76 -8.800 -12.532 -13.283 515 H ASN 77 H ASN 77 -12.693 -10.717 -10.910 516 HA ASN 77 HA ASN 77 -14.619 -9.292 -12.614 517 HB2 ASN 77 HB2 ASN 77 -15.003 -10.352 -9.846 518 HB3 ASN 77 HB3 ASN 77 -15.786 -8.837 -10.284 519 HD21 ASN 77 HD21 ASN 77 -17.109 -11.232 -9.591 520 HD22 ASN 77 HD22 ASN 77 -18.011 -11.756 -10.969 521 H ILE 78 H ILE 78 -14.000 -7.263 -12.897 522 HA ILE 78 HA ILE 78 -12.733 -5.835 -10.667 523 HB ILE 78 HB ILE 78 -11.750 -5.734 -13.522 524 HG12 ILE 78 HG12 ILE 78 -10.250 -6.735 -11.104 525 HG13 ILE 78 HG13 ILE 78 -11.200 -7.807 -12.128 526 HG21 ILE 78 HG21 ILE 78 -11.563 -3.843 -11.438 527 HG22 ILE 78 HG22 ILE 78 -9.968 -4.571 -11.622 528 HG23 ILE 78 HG23 ILE 78 -10.758 -3.818 -13.007 529 HD11 ILE 78 HD11 ILE 78 -8.594 -6.545 -12.608 530 HD12 ILE 78 HD12 ILE 78 -9.246 -8.077 -13.191 531 HD13 ILE 78 HD13 ILE 78 -9.695 -6.568 -13.986 532 HA PRO 79 HA PRO 79 -16.193 -3.301 -12.240 533 HB2 PRO 79 HB2 PRO 79 -16.686 -2.125 -9.843 534 HB3 PRO 79 HB3 PRO 79 -17.327 -3.712 -10.285 535 HG2 PRO 79 HG2 PRO 79 -14.944 -3.033 -8.606 536 HG3 PRO 79 HG3 PRO 79 -16.191 -4.263 -8.333 537 HD2 PRO 79 HD2 PRO 79 -13.751 -4.862 -9.342 538 HD3 PRO 79 HD3 PRO 79 -15.217 -5.757 -9.793 539 H TYR 80 H TYR 80 -14.233 -2.298 -13.359 540 HA TYR 80 HA TYR 80 -14.059 0.454 -12.542 541 HB2 TYR 80 HB2 TYR 80 -11.778 -1.416 -12.167 542 HB3 TYR 80 HB3 TYR 80 -11.411 0.178 -12.815 543 HD1 TYR 80 HD1 TYR 80 -12.228 2.212 -11.485 544 HD2 TYR 80 HD2 TYR 80 -12.071 -1.721 -9.867 545 HE1 TYR 80 HE1 TYR 80 -12.274 3.151 -9.212 546 HE2 TYR 80 HE2 TYR 80 -12.118 -0.792 -7.590 547 HH TYR 80 HH TYR 80 -11.546 1.335 -6.459 548 H LYS 81 H LYS 81 -12.664 1.716 -14.122 549 HA LYS 81 HA LYS 81 -13.353 0.845 -16.798 550 HB2 LYS 81 HB2 LYS 81 -12.301 3.398 -15.614 551 HB3 LYS 81 HB3 LYS 81 -12.276 3.142 -17.354 552 HG2 LYS 81 HG2 LYS 81 -14.268 4.229 -17.111 553 HG3 LYS 81 HG3 LYS 81 -14.801 2.550 -16.996 554 HD2 LYS 81 HD2 LYS 81 -15.146 2.680 -14.713 555 HD3 LYS 81 HD3 LYS 81 -14.028 4.032 -14.518 556 HE2 LYS 81 HE2 LYS 81 -15.608 5.524 -15.598 557 HE3 LYS 81 HE3 LYS 81 -16.708 4.179 -15.897 558 HZ1 LYS 81 HZ1 LYS 81 -16.530 3.930 -13.317 559 HZ2 LYS 81 HZ2 LYS 81 -17.597 5.050 -14.002 560 HZ3 LYS 81 HZ3 LYS 81 -16.109 5.567 -13.385 561 H ILE 82 H ILE 82 -11.970 -0.793 -17.364 562 HA ILE 82 HA ILE 82 -9.266 -1.013 -16.854 563 HB ILE 82 HB ILE 82 -11.064 -2.101 -18.948 564 HG12 ILE 82 HG12 ILE 82 -10.649 -3.137 -16.689 565 HG13 ILE 82 HG13 ILE 82 -10.348 -4.206 -18.055 566 HG21 ILE 82 HG21 ILE 82 -8.070 -2.035 -19.199 567 HG22 ILE 82 HG22 ILE 82 -9.062 -3.262 -19.985 568 HG23 ILE 82 HG23 ILE 82 -9.281 -1.560 -20.390 569 HD11 ILE 82 HD11 ILE 82 -8.259 -4.531 -17.409 570 HD12 ILE 82 HD12 ILE 82 -7.953 -2.795 -17.333 571 HD13 ILE 82 HD13 ILE 82 -8.634 -3.632 -15.938 572 H SER 83 H SER 83 -10.905 0.986 -19.181 573 HA SER 83 HA SER 83 -9.028 1.536 -21.074 574 HB2 SER 83 HB2 SER 83 -11.380 2.574 -20.690 575 HB3 SER 83 HB3 SER 83 -10.510 3.811 -19.783 576 HG SER 83 HG SER 83 -10.294 3.146 -22.519 577 H THR 84 H THR 84 -7.083 2.476 -21.183 578 HA THR 84 HA THR 84 -5.659 3.078 -18.794 579 HB THR 84 HB THR 84 -3.910 3.961 -20.495 580 HG1 THR 84 HG1 THR 84 -4.326 3.604 -22.589 581 HG21 THR 84 HG21 THR 84 -4.783 1.250 -19.843 582 HG22 THR 84 HG22 THR 84 -3.165 1.952 -19.829 583 HG23 THR 84 HG23 THR 84 -3.851 1.345 -21.336 584 H THR 85 H THR 85 -7.839 4.874 -20.560 585 HA THR 85 HA THR 85 -6.615 7.453 -20.371 586 HB THR 85 HB THR 85 -8.377 6.911 -22.043 587 HG1 THR 85 HG1 THR 85 -9.117 8.955 -21.985 588 HG21 THR 85 HG21 THR 85 -10.525 7.361 -20.062 589 HG22 THR 85 HG22 THR 85 -9.748 5.778 -20.023 590 HG23 THR 85 HG23 THR 85 -10.508 6.351 -21.507 591 H THR 86 H THR 86 -8.601 5.493 -18.296 592 HA THR 86 HA THR 86 -9.388 7.626 -16.546 593 HB THR 86 HB THR 86 -9.460 4.628 -16.163 594 HG1 THR 86 HG1 THR 86 -11.573 6.469 -16.676 595 HG21 THR 86 HG21 THR 86 -9.614 5.236 -13.978 596 HG22 THR 86 HG22 THR 86 -11.289 5.551 -14.431 597 HG23 THR 86 HG23 THR 86 -10.130 6.878 -14.360 598 H ASN 87 H ASN 87 -8.569 8.160 -14.541 599 HA ASN 87 HA ASN 87 -5.775 7.517 -14.134 600 HB2 ASN 87 HB2 ASN 87 -7.036 9.825 -13.825 601 HB3 ASN 87 HB3 ASN 87 -7.325 9.193 -12.207 602 HD21 ASN 87 HD21 ASN 87 -5.984 11.318 -12.023 603 HD22 ASN 87 HD22 ASN 87 -4.283 11.080 -11.844 604 H CYS 88 H CYS 88 -5.325 5.649 -13.160 605 HA CYS 88 HA CYS 88 -7.075 4.273 -11.423 606 HB2 CYS 88 HB2 CYS 88 -4.081 3.912 -11.598 607 HB3 CYS 88 HB3 CYS 88 -5.274 2.722 -11.087 608 H ASN 89 H ASN 89 -5.097 6.953 -10.907 609 HA ASN 89 HA ASN 89 -4.456 6.447 -8.151 610 HB2 ASN 89 HB2 ASN 89 -4.398 9.075 -9.648 611 HB3 ASN 89 HB3 ASN 89 -3.581 8.709 -8.132 612 HD21 ASN 89 HD21 ASN 89 -1.505 8.357 -8.345 613 HD22 ASN 89 HD22 ASN 89 -0.718 7.665 -9.719 614 H THR 90 H THR 90 -7.222 7.450 -9.806 615 HA THR 90 HA THR 90 -8.292 9.009 -7.590 616 HB THR 90 HB THR 90 -10.225 9.414 -9.006 617 HG1 THR 90 HG1 THR 90 -10.660 8.176 -10.678 618 HG21 THR 90 HG21 THR 90 -8.989 10.376 -11.045 619 HG22 THR 90 HG22 THR 90 -7.524 9.766 -10.274 620 HG23 THR 90 HG23 THR 90 -8.523 10.962 -9.449 621 H VAL 91 H VAL 91 -8.155 5.786 -8.551 622 HA VAL 91 HA VAL 91 -10.704 4.855 -7.765 623 HB VAL 91 HB VAL 91 -9.825 2.667 -7.865 624 HG11 VAL 91 HG11 VAL 91 -9.411 2.737 -10.051 625 HG12 VAL 91 HG12 VAL 91 -9.375 4.495 -9.909 626 HG13 VAL 91 HG13 VAL 91 -7.877 3.569 -9.802 627 HG21 VAL 91 HG21 VAL 91 -7.217 3.979 -7.217 628 HG22 VAL 91 HG22 VAL 91 -8.002 2.606 -6.437 629 HG23 VAL 91 HG23 VAL 91 -7.245 2.408 -8.018 630 H LYS 92 H LYS 92 -11.263 3.636 -5.870 631 HA LYS 92 HA LYS 92 -9.580 3.724 -3.545 632 HB2 LYS 92 HB2 LYS 92 -11.556 5.821 -4.009 633 HB3 LYS 92 HB3 LYS 92 -11.813 4.977 -2.488 634 HG2 LYS 92 HG2 LYS 92 -9.696 5.578 -1.671 635 HG3 LYS 92 HG3 LYS 92 -9.130 6.070 -3.269 636 HD2 LYS 92 HD2 LYS 92 -10.823 7.895 -3.238 637 HD3 LYS 92 HD3 LYS 92 -11.218 7.443 -1.577 638 HE2 LYS 92 HE2 LYS 92 -9.253 8.259 -0.745 639 HE3 LYS 92 HE3 LYS 92 -8.368 7.958 -2.239 640 HZ1 LYS 92 HZ1 LYS 92 -8.573 10.129 -2.599 641 HZ2 LYS 92 HZ2 LYS 92 -9.727 10.323 -1.378 642 HZ3 LYS 92 HZ3 LYS 92 -10.208 9.845 -2.927 643 H PHE 93 H PHE 93 -9.881 1.615 -3.105 644 HA PHE 93 HA PHE 93 -12.094 0.050 -3.533 645 HB2 PHE 93 HB2 PHE 93 -10.139 -1.085 -2.903 646 HB3 PHE 93 HB3 PHE 93 -9.917 -0.093 -1.466 647 HD1 PHE 93 HD1 PHE 93 -10.196 -1.227 0.497 648 HD2 PHE 93 HD2 PHE 93 -12.621 -2.273 -2.841 649 HE1 PHE 93 HE1 PHE 93 -11.319 -2.944 1.855 650 HE2 PHE 93 HE2 PHE 93 -13.749 -3.991 -1.488 651 HZ PHE 93 HZ PHE 93 -13.099 -4.328 0.864 652 HC11 PGM 101 H11 PPG 103 9.385 -1.595 -22.259 653 HC12 PGM 101 H12 PPG 103 8.705 -0.111 -22.393 654 HO1 PGM 101 H1 PPG 103 10.904 -1.104 -23.821 655 HC2 PGM 101 H2A PPG 103 11.462 -0.279 -21.449 656 HO2 PGM 101 H2 PPG 103 10.176 1.692 -22.139 657 HC31 PGM 101 H31 PPG 103 8.945 -0.565 -19.961 658 HC32 PGM 101 H32 PPG 103 10.336 -0.137 -19.205 659 HC71 PGM 101 H91 PPG 103 8.737 -4.947 -19.564 660 HC72 PGM 101 H92 PPG 103 8.930 -3.714 -20.606 661 HC8 PGM 101 H10A PPG 103 7.222 -5.166 -21.397 662 HO8 PGM 101 H10 PPG 103 5.382 -3.486 -21.186 663 HC91 PGM 101 H111 PPG 103 6.094 -4.543 -18.769 664 HC92 PGM 101 H112 PPG 103 6.286 -6.036 -19.390 665 HCB1 PGM 101 H151 PPG 103 2.016 -5.344 -19.888 666 HCB2 PGM 101 H152 PPG 103 2.214 -3.892 -20.604 667 HCC1 PGM 101 H161 PPG 103 1.555 -2.768 -18.638 668 HCC2 PGM 101 H162 PPG 103 1.579 -4.158 -17.784 669 HCD1 PGM 101 H171 PPG 103 -0.608 -4.142 -18.318 670 HCD2 PGM 101 H172 PPG 103 -0.030 -4.918 -19.625 671 HCE1 PGM 101 H181 PPG 103 -0.176 -3.034 -20.927 672 HCE2 PGM 101 H182 PPG 103 -0.367 -2.070 -19.629 673 HCF1 PGM 101 H191 PPG 103 -2.354 -3.976 -20.385 674 HCF2 PGM 101 H192 PPG 103 -2.336 -2.474 -21.016 675 HCG1 PGM 101 H201 PPG 103 -3.153 -1.539 -19.181 676 HCG2 PGM 101 H202 PPG 103 -2.479 -2.651 -18.204 677 HCH1 PGM 101 H211 PPG 103 -4.234 -4.194 -19.203 678 HCH2 PGM 101 H212 PPG 103 -5.008 -2.791 -19.527 679 HCI1 PGM 101 H221 PPG 103 -3.907 -3.212 -16.893 680 HCI2 PGM 101 H222 PPG 103 -5.385 -3.824 -17.243 681 HCJ1 PGM 101 H231 PPG 103 -6.277 -1.737 -17.564 682 HCJ2 PGM 101 H232 PPG 103 -4.799 -1.036 -17.618 683 HCK1 PGM 101 H241 PPG 103 -5.767 -0.499 -15.555 684 HCK2 PGM 101 H242 PPG 103 -4.537 -1.531 -15.265 685 HCL1 PGM 101 H251 PPG 103 -6.382 -3.310 -15.475 686 HCL2 PGM 101 H252 PPG 103 -7.356 -2.064 -15.057 687 HCM1 PGM 101 H261 PPG 103 -6.646 -2.825 -12.970 688 HCM2 PGM 101 H262 PPG 103 -5.571 -1.634 -13.257 689 HCN1 PGM 101 H271 PPG 103 -3.922 -3.083 -13.781 690 HCN2 PGM 101 H272 PPG 103 -4.953 -4.187 -14.388 691 HCO1 PGM 101 H281 PPG 103 -5.761 -4.453 -12.058 692 HCO2 PGM 101 H282 PPG 103 -4.399 -3.660 -11.611 693 HCP1 PGM 101 H291 PPG 103 -4.160 -5.962 -11.231 694 HCP2 PGM 101 H292 PPG 103 -4.451 -6.264 -12.809 695 HCP3 PGM 101 H293 PPG 103 -3.095 -5.474 -12.374 Start of MODEL 19 1 H ALA 1 H ALA 1 4.005 0.469 0.575 2 HA ALA 1 HA ALA 1 1.833 -0.580 -0.870 3 HB1 ALA 1 HB1 ALA 1 3.042 0.430 -2.861 4 HB2 ALA 1 HB2 ALA 1 2.643 1.526 -1.538 5 HB3 ALA 1 HB3 ALA 1 4.291 0.925 -1.719 6 H ILE 2 H ILE 2 2.275 -1.552 -3.167 7 HA ILE 2 HA ILE 2 3.571 -4.099 -2.705 8 HB ILE 2 HB ILE 2 2.597 -4.812 -4.790 9 HG12 ILE 2 HG12 ILE 2 1.768 -1.924 -5.153 10 HG13 ILE 2 HG13 ILE 2 2.990 -2.772 -6.094 11 HG21 ILE 2 HG21 ILE 2 0.308 -3.254 -3.818 12 HG22 ILE 2 HG22 ILE 2 0.517 -4.998 -3.963 13 HG23 ILE 2 HG23 ILE 2 1.187 -4.142 -2.574 14 HD11 ILE 2 HD11 ILE 2 0.048 -2.897 -6.249 15 HD12 ILE 2 HD12 ILE 2 1.264 -3.000 -7.523 16 HD13 ILE 2 HD13 ILE 2 0.923 -4.405 -6.514 17 H SER 3 H SER 3 4.775 -5.031 -4.703 18 HA SER 3 HA SER 3 6.940 -3.159 -5.301 19 HB2 SER 3 HB2 SER 3 6.818 -6.154 -5.729 20 HB3 SER 3 HB3 SER 3 8.246 -5.134 -5.898 21 HG SER 3 HG SER 3 7.226 -6.260 -3.683 22 H CYS 4 H CYS 4 6.820 -2.074 -7.142 23 HA CYS 4 HA CYS 4 5.076 -2.514 -9.235 24 HB2 CYS 4 HB2 CYS 4 6.637 -0.493 -8.708 25 HB3 CYS 4 HB3 CYS 4 7.787 -1.331 -9.745 26 H GLY 5 H GLY 5 8.245 -3.901 -8.668 27 HA2 GLY 5 HA2 GLY 5 8.707 -4.951 -11.241 28 HA3 GLY 5 HA3 GLY 5 9.409 -5.558 -9.749 29 H ALA 6 H ALA 6 6.744 -6.094 -8.588 30 HA ALA 6 HA ALA 6 6.388 -8.717 -9.767 31 HB1 ALA 6 HB1 ALA 6 4.784 -7.636 -7.478 32 HB2 ALA 6 HB2 ALA 6 5.233 -9.305 -7.831 33 HB3 ALA 6 HB3 ALA 6 6.452 -8.167 -7.257 34 H VAL 7 H VAL 7 4.893 -5.636 -9.910 35 HA VAL 7 HA VAL 7 2.248 -6.448 -10.545 36 HB VAL 7 HB VAL 7 3.645 -3.881 -11.312 37 HG11 VAL 7 HG11 VAL 7 0.809 -3.714 -10.802 38 HG12 VAL 7 HG12 VAL 7 1.730 -3.202 -12.218 39 HG13 VAL 7 HG13 VAL 7 1.159 -4.866 -12.090 40 HG21 VAL 7 HG21 VAL 7 2.878 -2.935 -9.288 41 HG22 VAL 7 HG22 VAL 7 1.860 -4.330 -8.932 42 HG23 VAL 7 HG23 VAL 7 3.615 -4.476 -8.847 43 H THR 8 H THR 8 4.965 -5.372 -12.582 44 HA THR 8 HA THR 8 3.578 -5.937 -15.023 45 HB THR 8 HB THR 8 5.691 -5.439 -16.141 46 HG1 THR 8 HG1 THR 8 7.488 -4.827 -14.687 47 HG21 THR 8 HG21 THR 8 5.885 -3.326 -14.158 48 HG22 THR 8 HG22 THR 8 4.212 -3.682 -14.588 49 HG23 THR 8 HG23 THR 8 5.372 -3.246 -15.843 50 H SER 9 H SER 9 5.945 -7.613 -13.028 51 HA SER 9 HA SER 9 6.626 -9.651 -14.837 52 HB2 SER 9 HB2 SER 9 6.788 -9.303 -11.878 53 HB3 SER 9 HB3 SER 9 6.997 -10.928 -12.531 54 HG SER 9 HG SER 9 8.974 -9.727 -12.347 55 H ASP 10 H ASP 10 4.016 -9.380 -12.477 56 HA ASP 10 HA ASP 10 3.051 -12.002 -12.620 57 HB2 ASP 10 HB2 ASP 10 1.773 -9.368 -11.940 58 HB3 ASP 10 HB3 ASP 10 0.811 -10.842 -12.001 59 H LEU 11 H LEU 11 2.923 -9.450 -14.902 60 HA LEU 11 HA LEU 11 0.817 -10.813 -16.433 61 HB2 LEU 11 HB2 LEU 11 1.923 -8.022 -16.539 62 HB3 LEU 11 HB3 LEU 11 0.908 -8.680 -17.820 63 HG LEU 11 HG LEU 11 0.134 -8.166 -14.953 64 HD11 LEU 11 HD11 LEU 11 0.152 -6.191 -16.363 65 HD12 LEU 11 HD12 LEU 11 -1.504 -6.656 -15.978 66 HD13 LEU 11 HD13 LEU 11 -0.834 -7.019 -17.568 67 HD21 LEU 11 HD21 LEU 11 -1.026 -9.951 -16.979 68 HD22 LEU 11 HD22 LEU 11 -2.168 -8.848 -16.209 69 HD23 LEU 11 HD23 LEU 11 -1.205 -9.951 -15.224 70 H SER 12 H SER 12 3.840 -11.367 -16.155 71 HA SER 12 HA SER 12 5.165 -10.830 -18.534 72 HB2 SER 12 HB2 SER 12 5.434 -12.814 -16.363 73 HB3 SER 12 HB3 SER 12 6.160 -13.283 -17.901 74 HG SER 12 HG SER 12 6.628 -10.785 -16.645 75 HA PRO 13 HA PRO 13 3.525 -15.000 -20.331 76 HB2 PRO 13 HB2 PRO 13 1.573 -16.279 -18.944 77 HB3 PRO 13 HB3 PRO 13 3.294 -16.567 -18.667 78 HG2 PRO 13 HG2 PRO 13 1.390 -14.844 -17.128 79 HG3 PRO 13 HG3 PRO 13 2.636 -15.952 -16.523 80 HD2 PRO 13 HD2 PRO 13 3.007 -13.273 -16.651 81 HD3 PRO 13 HD3 PRO 13 4.334 -14.432 -16.868 82 H CYS 14 H CYS 14 1.584 -12.561 -18.926 83 HA CYS 14 HA CYS 14 -0.732 -13.107 -20.596 84 HB2 CYS 14 HB2 CYS 14 -0.178 -10.831 -18.681 85 HB3 CYS 14 HB3 CYS 14 -1.711 -11.131 -19.493 86 H LEU 15 H LEU 15 2.050 -11.015 -20.516 87 HA LEU 15 HA LEU 15 1.399 -8.910 -22.104 88 HB2 LEU 15 HB2 LEU 15 3.667 -9.619 -21.105 89 HB3 LEU 15 HB3 LEU 15 3.913 -10.454 -22.638 90 HG LEU 15 HG LEU 15 3.787 -8.352 -23.839 91 HD11 LEU 15 HD11 LEU 15 3.698 -6.220 -22.555 92 HD12 LEU 15 HD12 LEU 15 3.265 -7.155 -21.124 93 HD13 LEU 15 HD13 LEU 15 2.195 -7.143 -22.526 94 HD21 LEU 15 HD21 LEU 15 5.637 -7.499 -21.743 95 HD22 LEU 15 HD22 LEU 15 5.937 -7.877 -23.439 96 HD23 LEU 15 HD23 LEU 15 5.851 -9.175 -22.247 97 H THR 16 H THR 16 2.071 -12.210 -23.170 98 HA THR 16 HA THR 16 2.137 -11.829 -25.915 99 HB THR 16 HB THR 16 1.006 -14.183 -24.390 100 HG1 THR 16 HG1 THR 16 3.050 -14.535 -24.010 101 HG21 THR 16 HG21 THR 16 0.985 -13.615 -27.190 102 HG22 THR 16 HG22 THR 16 0.418 -15.059 -26.351 103 HG23 THR 16 HG23 THR 16 2.095 -14.950 -26.886 104 H TYR 17 H TYR 17 -0.714 -12.960 -24.087 105 HA TYR 17 HA TYR 17 -2.527 -12.551 -26.201 106 HB2 TYR 17 HB2 TYR 17 -3.147 -14.053 -24.455 107 HB3 TYR 17 HB3 TYR 17 -2.926 -12.818 -23.221 108 HD1 TYR 17 HD1 TYR 17 -4.942 -13.398 -26.318 109 HD2 TYR 17 HD2 TYR 17 -4.816 -11.802 -22.376 110 HE1 TYR 17 HE1 TYR 17 -7.326 -12.815 -26.483 111 HE2 TYR 17 HE2 TYR 17 -7.199 -11.216 -22.530 112 HH TYR 17 HH TYR 17 -8.947 -10.974 -23.959 113 H LEU 18 H LEU 18 -1.345 -10.453 -23.670 114 HA LEU 18 HA LEU 18 -3.323 -8.423 -24.000 115 HB2 LEU 18 HB2 LEU 18 -0.583 -8.389 -22.750 116 HB3 LEU 18 HB3 LEU 18 -1.691 -7.018 -22.722 117 HG LEU 18 HG LEU 18 -2.085 -9.698 -21.396 118 HD11 LEU 18 HD11 LEU 18 -0.552 -8.257 -20.207 119 HD12 LEU 18 HD12 LEU 18 -2.085 -8.343 -19.340 120 HD13 LEU 18 HD13 LEU 18 -1.694 -6.916 -20.301 121 HD21 LEU 18 HD21 LEU 18 -4.270 -9.322 -21.562 122 HD22 LEU 18 HD22 LEU 18 -4.010 -7.726 -22.266 123 HD23 LEU 18 HD23 LEU 18 -4.036 -7.924 -20.513 124 H THR 19 H THR 19 -0.554 -9.340 -25.762 125 HA THR 19 HA THR 19 -0.353 -6.709 -27.050 126 HB THR 19 HB THR 19 1.709 -7.660 -28.127 127 HG1 THR 19 HG1 THR 19 2.134 -9.707 -27.840 128 HG21 THR 19 HG21 THR 19 1.305 -6.801 -25.437 129 HG22 THR 19 HG22 THR 19 2.722 -6.581 -26.464 130 HG23 THR 19 HG23 THR 19 2.579 -8.020 -25.455 131 H GLY 20 H GLY 20 -2.490 -8.795 -27.471 132 HA2 GLY 20 HA2 GLY 20 -3.795 -9.043 -29.422 133 HA3 GLY 20 HA3 GLY 20 -2.363 -8.736 -30.392 134 H GLY 21 H GLY 21 -1.135 -10.796 -28.313 135 HA2 GLY 21 HA2 GLY 21 -1.170 -12.992 -30.105 136 HA3 GLY 21 HA3 GLY 21 -0.519 -13.004 -28.473 137 HA PRO 22 HA PRO 22 -4.417 -15.630 -28.790 138 HB2 PRO 22 HB2 PRO 22 -3.245 -18.000 -28.174 139 HB3 PRO 22 HB3 PRO 22 -3.390 -17.402 -29.831 140 HG2 PRO 22 HG2 PRO 22 -1.041 -17.299 -27.977 141 HG3 PRO 22 HG3 PRO 22 -1.086 -17.696 -29.705 142 HD2 PRO 22 HD2 PRO 22 -0.335 -15.261 -28.789 143 HD3 PRO 22 HD3 PRO 22 -1.169 -15.482 -30.340 144 H GLY 23 H GLY 23 -5.586 -16.375 -27.023 145 HA2 GLY 23 HA2 GLY 23 -5.036 -17.320 -24.633 146 HA3 GLY 23 HA3 GLY 23 -4.431 -15.684 -24.423 147 HA PRO 24 HA PRO 24 -4.827 -15.015 -22.601 148 HB2 PRO 24 HB2 PRO 24 -6.021 -15.350 -20.186 149 HB3 PRO 24 HB3 PRO 24 -6.071 -13.825 -21.079 150 HG2 PRO 24 HG2 PRO 24 -8.141 -15.979 -20.890 151 HG3 PRO 24 HG3 PRO 24 -8.348 -14.220 -20.821 152 HD2 PRO 24 HD2 PRO 24 -8.849 -15.658 -23.060 153 HD3 PRO 24 HD3 PRO 24 -8.242 -13.991 -23.112 154 H SER 25 H SER 25 -3.401 -16.587 -22.241 155 HA SER 25 HA SER 25 -4.075 -19.323 -22.337 156 HB2 SER 25 HB2 SER 25 -1.813 -19.718 -22.315 157 HB3 SER 25 HB3 SER 25 -1.788 -18.008 -22.745 158 HG SER 25 HG SER 25 -1.117 -17.497 -20.768 159 HA PRO 26 HA PRO 26 -4.947 -20.477 -18.197 160 HB2 PRO 26 HB2 PRO 26 -3.577 -22.802 -17.903 161 HB3 PRO 26 HB3 PRO 26 -5.026 -22.661 -18.906 162 HG2 PRO 26 HG2 PRO 26 -2.146 -22.636 -19.723 163 HG3 PRO 26 HG3 PRO 26 -3.517 -23.465 -20.483 164 HD2 PRO 26 HD2 PRO 26 -2.517 -21.134 -21.431 165 HD3 PRO 26 HD3 PRO 26 -4.236 -21.557 -21.558 166 H GLN 27 H GLN 27 -1.541 -20.404 -19.080 167 HA GLN 27 HA GLN 27 -0.592 -20.432 -16.374 168 HB2 GLN 27 HB2 GLN 27 0.861 -19.600 -18.891 169 HB3 GLN 27 HB3 GLN 27 1.598 -19.993 -17.343 170 HG2 GLN 27 HG2 GLN 27 1.405 -22.217 -17.655 171 HG3 GLN 27 HG3 GLN 27 -0.119 -22.073 -18.529 172 HE21 GLN 27 HE21 GLN 27 2.994 -20.537 -19.171 173 HE22 GLN 27 HE22 GLN 27 3.215 -21.231 -20.737 174 H CYS 28 H CYS 28 -1.571 -18.006 -18.660 175 HA CYS 28 HA CYS 28 -0.324 -15.796 -17.351 176 HB2 CYS 28 HB2 CYS 28 -0.793 -15.228 -19.521 177 HB3 CYS 28 HB3 CYS 28 -2.288 -16.158 -19.554 178 H CYS 29 H CYS 29 -3.671 -17.003 -17.454 179 HA CYS 29 HA CYS 29 -4.893 -15.155 -15.825 180 HB2 CYS 29 HB2 CYS 29 -5.370 -18.080 -16.288 181 HB3 CYS 29 HB3 CYS 29 -6.332 -17.213 -15.095 182 H GLY 30 H GLY 30 -2.866 -17.879 -14.911 183 HA2 GLY 30 HA2 GLY 30 -3.393 -18.034 -12.193 184 HA3 GLY 30 HA3 GLY 30 -1.835 -18.390 -12.924 185 H GLY 31 H GLY 31 -1.185 -15.837 -13.889 186 HA2 GLY 31 HA2 GLY 31 -0.216 -14.646 -11.464 187 HA3 GLY 31 HA3 GLY 31 0.069 -14.065 -13.098 188 H VAL 32 H VAL 32 -2.576 -13.700 -13.934 189 HA VAL 32 HA VAL 32 -3.122 -11.121 -13.129 190 HB VAL 32 HB VAL 32 -5.124 -13.152 -14.128 191 HG11 VAL 32 HG11 VAL 32 -5.233 -10.138 -14.175 192 HG12 VAL 32 HG12 VAL 32 -6.433 -11.236 -14.858 193 HG13 VAL 32 HG13 VAL 32 -6.177 -11.182 -13.113 194 HG21 VAL 32 HG21 VAL 32 -2.995 -12.643 -15.495 195 HG22 VAL 32 HG22 VAL 32 -4.559 -12.561 -16.306 196 HG23 VAL 32 HG23 VAL 32 -3.750 -11.078 -15.798 197 H LYS 33 H LYS 33 -4.528 -14.136 -11.893 198 HA LYS 33 HA LYS 33 -6.329 -12.950 -10.085 199 HB2 LYS 33 HB2 LYS 33 -4.984 -15.656 -9.986 200 HB3 LYS 33 HB3 LYS 33 -6.340 -15.174 -8.975 201 HG2 LYS 33 HG2 LYS 33 -7.844 -15.365 -10.656 202 HG3 LYS 33 HG3 LYS 33 -6.685 -14.888 -11.898 203 HD2 LYS 33 HD2 LYS 33 -5.694 -17.048 -11.920 204 HD3 LYS 33 HD3 LYS 33 -6.564 -17.533 -10.463 205 HE2 LYS 33 HE2 LYS 33 -8.340 -16.655 -12.591 206 HE3 LYS 33 HE3 LYS 33 -7.334 -18.020 -13.072 207 HZ1 LYS 33 HZ1 LYS 33 -8.243 -18.588 -10.525 208 HZ2 LYS 33 HZ2 LYS 33 -8.732 -19.315 -11.971 209 HZ3 LYS 33 HZ3 LYS 33 -9.586 -17.989 -11.360 210 H LYS 34 H LYS 34 -2.986 -14.051 -9.702 211 HA LYS 34 HA LYS 34 -2.787 -13.593 -6.931 212 HB2 LYS 34 HB2 LYS 34 -1.154 -14.964 -8.060 213 HB3 LYS 34 HB3 LYS 34 -0.677 -13.624 -9.093 214 HG2 LYS 34 HG2 LYS 34 0.558 -12.619 -7.460 215 HG3 LYS 34 HG3 LYS 34 -0.422 -13.287 -6.153 216 HD2 LYS 34 HD2 LYS 34 0.552 -15.562 -6.899 217 HD3 LYS 34 HD3 LYS 34 1.769 -14.591 -7.730 218 HE2 LYS 34 HE2 LYS 34 1.172 -14.000 -4.873 219 HE3 LYS 34 HE3 LYS 34 2.133 -15.428 -5.256 220 HZ1 LYS 34 HZ1 LYS 34 2.810 -12.611 -5.515 221 HZ2 LYS 34 HZ2 LYS 34 3.362 -13.624 -6.752 222 HZ3 LYS 34 HZ3 LYS 34 3.799 -13.933 -5.147 223 H LEU 35 H LEU 35 -2.215 -11.516 -9.724 224 HA LEU 35 HA LEU 35 -1.091 -9.346 -8.302 225 HB2 LEU 35 HB2 LEU 35 -0.731 -9.392 -10.621 226 HB3 LEU 35 HB3 LEU 35 -2.447 -9.598 -10.967 227 HG LEU 35 HG LEU 35 -2.872 -7.289 -10.328 228 HD11 LEU 35 HD11 LEU 35 -0.217 -6.265 -10.239 229 HD12 LEU 35 HD12 LEU 35 -0.381 -7.527 -9.018 230 HD13 LEU 35 HD13 LEU 35 -1.489 -6.155 -9.023 231 HD21 LEU 35 HD21 LEU 35 -1.206 -6.243 -12.083 232 HD22 LEU 35 HD22 LEU 35 -2.504 -7.328 -12.584 233 HD23 LEU 35 HD23 LEU 35 -0.857 -7.939 -12.418 234 H LEU 36 H LEU 36 -4.395 -9.881 -9.527 235 HA LEU 36 HA LEU 36 -5.490 -7.544 -8.389 236 HB2 LEU 36 HB2 LEU 36 -6.711 -10.128 -9.317 237 HB3 LEU 36 HB3 LEU 36 -7.682 -8.805 -8.674 238 HG LEU 36 HG LEU 36 -5.895 -8.576 -11.093 239 HD11 LEU 36 HD11 LEU 36 -7.870 -10.179 -11.276 240 HD12 LEU 36 HD12 LEU 36 -7.761 -8.886 -12.469 241 HD13 LEU 36 HD13 LEU 36 -8.890 -8.749 -11.122 242 HD21 LEU 36 HD21 LEU 36 -6.388 -6.491 -9.820 243 HD22 LEU 36 HD22 LEU 36 -8.104 -6.770 -10.120 244 HD23 LEU 36 HD23 LEU 36 -7.006 -6.490 -11.472 245 H ALA 37 H ALA 37 -5.155 -10.845 -7.203 246 HA ALA 37 HA ALA 37 -6.760 -10.575 -4.900 247 HB1 ALA 37 HB1 ALA 37 -4.542 -12.448 -5.654 248 HB2 ALA 37 HB2 ALA 37 -5.316 -12.523 -4.070 249 HB3 ALA 37 HB3 ALA 37 -6.272 -12.769 -5.532 250 H ALA 38 H ALA 38 -3.565 -9.501 -5.646 251 HA ALA 38 HA ALA 38 -2.752 -9.166 -2.895 252 HB1 ALA 38 HB1 ALA 38 -0.774 -8.038 -3.886 253 HB2 ALA 38 HB2 ALA 38 -1.047 -9.665 -4.511 254 HB3 ALA 38 HB3 ALA 38 -1.494 -8.261 -5.480 255 H ALA 39 H ALA 39 -4.042 -7.166 -5.485 256 HA ALA 39 HA ALA 39 -3.700 -4.692 -4.079 257 HB1 ALA 39 HB1 ALA 39 -5.682 -4.986 -6.283 258 HB2 ALA 39 HB2 ALA 39 -4.564 -3.666 -5.938 259 HB3 ALA 39 HB3 ALA 39 -3.965 -5.166 -6.646 260 H ASN 40 H ASN 40 -4.727 -5.701 -2.080 261 HA ASN 40 HA ASN 40 -7.652 -5.643 -2.161 262 HB2 ASN 40 HB2 ASN 40 -6.223 -7.488 -1.009 263 HB3 ASN 40 HB3 ASN 40 -6.031 -6.304 0.280 264 HD21 ASN 40 HD21 ASN 40 -7.167 -8.470 1.096 265 HD22 ASN 40 HD22 ASN 40 -8.880 -8.317 1.261 266 H THR 41 H THR 41 -5.034 -3.652 -1.405 267 HA THR 41 HA THR 41 -6.651 -1.994 0.408 268 HB THR 41 HB THR 41 -4.191 -0.815 0.422 269 HG1 THR 41 HG1 THR 41 -3.558 -3.558 0.548 270 HG21 THR 41 HG21 THR 41 -5.688 -2.644 2.151 271 HG22 THR 41 HG22 THR 41 -4.861 -1.137 2.543 272 HG23 THR 41 HG23 THR 41 -3.950 -2.643 2.447 273 H THR 42 H THR 42 -6.266 0.410 0.155 274 HA THR 42 HA THR 42 -7.045 1.202 -2.450 275 HB THR 42 HB THR 42 -6.325 2.708 0.045 276 HG1 THR 42 HG1 THR 42 -8.411 2.358 0.198 277 HG21 THR 42 HG21 THR 42 -5.423 4.143 -1.618 278 HG22 THR 42 HG22 THR 42 -7.016 4.788 -1.221 279 HG23 THR 42 HG23 THR 42 -6.785 3.858 -2.701 280 HA PRO 43 HA PRO 43 -2.619 3.159 -2.690 281 HB2 PRO 43 HB2 PRO 43 -0.793 2.270 -0.888 282 HB3 PRO 43 HB3 PRO 43 -1.834 3.667 -0.591 283 HG2 PRO 43 HG2 PRO 43 -2.142 0.842 0.350 284 HG3 PRO 43 HG3 PRO 43 -2.386 2.353 1.246 285 HD2 PRO 43 HD2 PRO 43 -4.441 0.919 0.218 286 HD3 PRO 43 HD3 PRO 43 -4.485 2.689 0.354 287 H ASP 44 H ASP 44 -3.408 -0.108 -2.190 288 HA ASP 44 HA ASP 44 -0.995 -1.163 -3.412 289 HB2 ASP 44 HB2 ASP 44 -3.407 -2.315 -2.105 290 HB3 ASP 44 HB3 ASP 44 -2.584 -3.312 -3.302 291 H ARG 45 H ARG 45 -4.362 -0.577 -4.246 292 HA ARG 45 HA ARG 45 -4.208 -1.881 -6.793 293 HB2 ARG 45 HB2 ARG 45 -6.234 0.080 -5.699 294 HB3 ARG 45 HB3 ARG 45 -6.413 -0.826 -7.195 295 HG2 ARG 45 HG2 ARG 45 -5.824 -2.552 -4.944 296 HG3 ARG 45 HG3 ARG 45 -7.283 -1.592 -4.691 297 HD2 ARG 45 HD2 ARG 45 -6.682 -3.408 -7.021 298 HD3 ARG 45 HD3 ARG 45 -7.874 -3.674 -5.750 299 HE ARG 45 HE ARG 45 -8.137 -1.956 -8.055 300 HH11 ARG 45 HH11 ARG 45 -9.303 -2.730 -4.867 301 HH12 ARG 45 HH12 ARG 45 -10.857 -2.005 -5.117 302 HH21 ARG 45 HH21 ARG 45 -10.179 -0.998 -8.396 303 HH22 ARG 45 HH22 ARG 45 -11.354 -1.021 -7.125 304 H GLN 46 H GLN 46 -4.096 1.481 -5.679 305 HA GLN 46 HA GLN 46 -4.053 2.767 -8.137 306 HB2 GLN 46 HB2 GLN 46 -2.626 3.521 -5.582 307 HB3 GLN 46 HB3 GLN 46 -2.848 4.595 -6.956 308 HG2 GLN 46 HG2 GLN 46 -5.310 4.314 -6.680 309 HG3 GLN 46 HG3 GLN 46 -4.983 3.426 -5.193 310 HE21 GLN 46 HE21 GLN 46 -2.775 4.995 -4.347 311 HE22 GLN 46 HE22 GLN 46 -3.385 6.534 -3.854 312 H ALA 47 H ALA 47 -1.240 1.792 -6.171 313 HA ALA 47 HA ALA 47 0.726 2.493 -8.026 314 HB1 ALA 47 HB1 ALA 47 0.646 0.577 -5.732 315 HB2 ALA 47 HB2 ALA 47 2.065 0.655 -6.777 316 HB3 ALA 47 HB3 ALA 47 1.537 2.090 -5.898 317 H ALA 48 H ALA 48 -0.914 -0.617 -7.511 318 HA ALA 48 HA ALA 48 0.449 -2.194 -9.312 319 HB1 ALA 48 HB1 ALA 48 -2.517 -2.258 -8.768 320 HB2 ALA 48 HB2 ALA 48 -1.551 -3.572 -9.441 321 HB3 ALA 48 HB3 ALA 48 -1.275 -3.033 -7.784 322 H CYS 49 H CYS 49 -2.532 -0.352 -9.997 323 HA CYS 49 HA CYS 49 -2.566 -0.865 -12.755 324 HB2 CYS 49 HB2 CYS 49 -4.521 -0.031 -11.519 325 HB3 CYS 49 HB3 CYS 49 -3.702 1.505 -11.257 326 H ASN 50 H ASN 50 -1.599 2.138 -11.085 327 HA ASN 50 HA ASN 50 -0.656 3.569 -13.217 328 HB2 ASN 50 HB2 ASN 50 0.476 3.437 -10.415 329 HB3 ASN 50 HB3 ASN 50 0.903 4.671 -11.596 330 HD21 ASN 50 HD21 ASN 50 -0.518 4.699 -8.943 331 HD22 ASN 50 HD22 ASN 50 -1.970 5.585 -9.247 332 H CYS 51 H CYS 51 1.008 1.020 -11.434 333 HA CYS 51 HA CYS 51 3.548 1.298 -12.569 334 HB2 CYS 51 HB2 CYS 51 2.063 -0.893 -11.212 335 HB3 CYS 51 HB3 CYS 51 3.500 -1.340 -12.124 336 H LEU 52 H LEU 52 0.775 -0.658 -13.611 337 HA LEU 52 HA LEU 52 2.129 -1.680 -15.920 338 HB2 LEU 52 HB2 LEU 52 -0.807 -1.648 -15.237 339 HB3 LEU 52 HB3 LEU 52 -0.066 -2.579 -16.537 340 HG LEU 52 HG LEU 52 0.310 -2.984 -13.573 341 HD11 LEU 52 HD11 LEU 52 -1.715 -3.965 -14.115 342 HD12 LEU 52 HD12 LEU 52 -0.576 -5.296 -14.318 343 HD13 LEU 52 HD13 LEU 52 -1.177 -4.427 -15.730 344 HD21 LEU 52 HD21 LEU 52 1.425 -5.119 -14.979 345 HD22 LEU 52 HD22 LEU 52 2.283 -3.885 -14.055 346 HD23 LEU 52 HD23 LEU 52 2.023 -3.669 -15.787 347 H LYS 53 H LYS 53 0.253 1.129 -15.191 348 HA LYS 53 HA LYS 53 -0.577 1.778 -17.821 349 HB2 LYS 53 HB2 LYS 53 -0.088 3.618 -15.471 350 HB3 LYS 53 HB3 LYS 53 -0.997 4.021 -16.922 351 HG2 LYS 53 HG2 LYS 53 -2.024 1.620 -15.706 352 HG3 LYS 53 HG3 LYS 53 -1.987 2.953 -14.550 353 HD2 LYS 53 HD2 LYS 53 -4.105 2.984 -15.676 354 HD3 LYS 53 HD3 LYS 53 -3.158 4.364 -16.236 355 HE2 LYS 53 HE2 LYS 53 -4.011 3.524 -18.213 356 HE3 LYS 53 HE3 LYS 53 -2.425 2.758 -18.140 357 HZ1 LYS 53 HZ1 LYS 53 -5.080 1.571 -17.726 358 HZ2 LYS 53 HZ2 LYS 53 -3.745 0.887 -16.945 359 HZ3 LYS 53 HZ3 LYS 53 -3.775 0.991 -18.633 360 H SER 54 H SER 54 2.263 2.648 -15.899 361 HA SER 54 HA SER 54 3.357 4.405 -17.860 362 HB2 SER 54 HB2 SER 54 4.195 4.868 -15.751 363 HB3 SER 54 HB3 SER 54 4.346 3.165 -15.322 364 HG SER 54 HG SER 54 6.165 4.825 -16.458 365 H ALA 55 H ALA 55 3.937 1.026 -16.973 366 HA ALA 55 HA ALA 55 6.051 0.597 -18.811 367 HB1 ALA 55 HB1 ALA 55 5.066 -0.813 -16.737 368 HB2 ALA 55 HB2 ALA 55 4.384 -1.720 -18.087 369 HB3 ALA 55 HB3 ALA 55 6.129 -1.492 -17.970 370 H ALA 56 H ALA 56 2.682 0.892 -19.211 371 HA ALA 56 HA ALA 56 2.505 -0.722 -21.600 372 HB1 ALA 56 HB1 ALA 56 0.459 -0.749 -20.623 373 HB2 ALA 56 HB2 ALA 56 0.627 0.878 -19.964 374 HB3 ALA 56 HB3 ALA 56 0.224 0.654 -21.666 375 H GLY 57 H GLY 57 3.040 2.629 -20.778 376 HA2 GLY 57 HA2 GLY 57 2.418 3.811 -23.252 377 HA3 GLY 57 HA3 GLY 57 3.533 4.466 -22.062 378 H SER 58 H SER 58 5.137 1.911 -22.264 379 HA SER 58 HA SER 58 6.775 2.798 -24.498 380 HB2 SER 58 HB2 SER 58 7.207 0.998 -22.140 381 HB3 SER 58 HB3 SER 58 8.285 0.880 -23.531 382 HG SER 58 HG SER 58 8.932 2.389 -21.832 383 H ILE 59 H ILE 59 4.221 0.812 -24.229 384 HA ILE 59 HA ILE 59 5.266 -1.200 -26.101 385 HB ILE 59 HB ILE 59 2.569 -1.358 -24.794 386 HG12 ILE 59 HG12 ILE 59 5.200 -2.289 -23.624 387 HG13 ILE 59 HG13 ILE 59 4.175 -1.011 -22.980 388 HG21 ILE 59 HG21 ILE 59 3.981 -3.829 -25.085 389 HG22 ILE 59 HG22 ILE 59 2.469 -3.316 -25.832 390 HG23 ILE 59 HG23 ILE 59 4.007 -2.948 -26.613 391 HD11 ILE 59 HD11 ILE 59 3.919 -3.931 -22.774 392 HD12 ILE 59 HD12 ILE 59 3.447 -2.661 -21.645 393 HD13 ILE 59 HD13 ILE 59 2.417 -3.041 -23.025 394 H THR 60 H THR 60 4.764 -1.040 -28.177 395 HA THR 60 HA THR 60 2.673 0.834 -28.995 396 HB THR 60 HB THR 60 5.025 0.890 -29.984 397 HG1 THR 60 HG1 THR 60 2.950 1.742 -30.936 398 HG21 THR 60 HG21 THR 60 4.047 -1.323 -31.760 399 HG22 THR 60 HG22 THR 60 4.973 -1.675 -30.300 400 HG23 THR 60 HG23 THR 60 5.681 -0.685 -31.577 401 H LYS 61 H LYS 61 3.451 -2.559 -29.008 402 HA LYS 61 HA LYS 61 1.231 -3.198 -30.784 403 HB2 LYS 61 HB2 LYS 61 3.512 -4.722 -29.605 404 HB3 LYS 61 HB3 LYS 61 2.078 -5.611 -30.103 405 HG2 LYS 61 HG2 LYS 61 3.459 -3.703 -31.956 406 HG3 LYS 61 HG3 LYS 61 3.990 -5.378 -31.779 407 HD2 LYS 61 HD2 LYS 61 1.463 -5.912 -32.189 408 HD3 LYS 61 HD3 LYS 61 1.441 -4.299 -32.906 409 HE2 LYS 61 HE2 LYS 61 3.327 -6.518 -33.690 410 HE3 LYS 61 HE3 LYS 61 1.852 -6.095 -34.557 411 HZ1 LYS 61 HZ1 LYS 61 4.242 -5.103 -35.156 412 HZ2 LYS 61 HZ2 LYS 61 3.709 -3.915 -34.077 413 HZ3 LYS 61 HZ3 LYS 61 2.796 -4.277 -35.454 414 H LEU 62 H LEU 62 1.143 -2.157 -27.858 415 HA LEU 62 HA LEU 62 -0.035 -4.185 -26.288 416 HB2 LEU 62 HB2 LEU 62 0.887 -2.161 -25.315 417 HB3 LEU 62 HB3 LEU 62 -0.329 -1.188 -26.141 418 HG LEU 62 HG LEU 62 -2.079 -2.271 -24.780 419 HD11 LEU 62 HD11 LEU 62 -1.031 -4.388 -24.321 420 HD12 LEU 62 HD12 LEU 62 -1.380 -3.572 -22.797 421 HD13 LEU 62 HD13 LEU 62 0.267 -3.594 -23.428 422 HD21 LEU 62 HD21 LEU 62 -0.395 -0.251 -24.077 423 HD22 LEU 62 HD22 LEU 62 -0.254 -1.330 -22.689 424 HD23 LEU 62 HD23 LEU 62 -1.837 -0.722 -23.177 425 H ASN 63 H ASN 63 -2.015 -5.033 -26.296 426 HA ASN 63 HA ASN 63 -4.035 -3.802 -28.039 427 HB2 ASN 63 HB2 ASN 63 -3.676 -6.640 -27.069 428 HB3 ASN 63 HB3 ASN 63 -5.124 -6.088 -27.906 429 HD21 ASN 63 HD21 ASN 63 -5.101 -6.765 -29.914 430 HD22 ASN 63 HD22 ASN 63 -3.736 -6.777 -30.973 431 H THR 64 H THR 64 -4.848 -2.294 -26.569 432 HA THR 64 HA THR 64 -5.531 -2.670 -23.926 433 HB THR 64 HB THR 64 -7.048 -0.813 -24.122 434 HG1 THR 64 HG1 THR 64 -6.850 -1.019 -26.953 435 HG21 THR 64 HG21 THR 64 -5.590 0.826 -24.947 436 HG22 THR 64 HG22 THR 64 -4.940 -0.246 -26.187 437 HG23 THR 64 HG23 THR 64 -4.523 -0.502 -24.493 438 H ASN 65 H ASN 65 -7.111 -3.876 -26.764 439 HA ASN 65 HA ASN 65 -9.668 -4.369 -25.688 440 HB2 ASN 65 HB2 ASN 65 -8.122 -5.327 -28.042 441 HB3 ASN 65 HB3 ASN 65 -9.504 -6.297 -27.540 442 HD21 ASN 65 HD21 ASN 65 -11.394 -4.646 -26.838 443 HD22 ASN 65 HD22 ASN 65 -11.809 -3.543 -28.102 444 H ASN 66 H ASN 66 -6.759 -6.389 -25.891 445 HA ASN 66 HA ASN 66 -7.985 -8.625 -24.588 446 HB2 ASN 66 HB2 ASN 66 -5.099 -7.976 -25.211 447 HB3 ASN 66 HB3 ASN 66 -5.623 -9.490 -24.479 448 HD21 ASN 66 HD21 ASN 66 -4.572 -8.358 -27.232 449 HD22 ASN 66 HD22 ASN 66 -5.491 -9.282 -28.366 450 H ALA 67 H ALA 67 -6.386 -5.752 -23.556 451 HA ALA 67 HA ALA 67 -5.566 -6.669 -20.984 452 HB1 ALA 67 HB1 ALA 67 -6.062 -3.858 -21.958 453 HB2 ALA 67 HB2 ALA 67 -5.218 -4.305 -20.475 454 HB3 ALA 67 HB3 ALA 67 -4.531 -4.730 -22.043 455 H ALA 68 H ALA 68 -8.473 -5.160 -22.263 456 HA ALA 68 HA ALA 68 -9.667 -4.716 -19.694 457 HB1 ALA 68 HB1 ALA 68 -10.182 -3.896 -22.316 458 HB2 ALA 68 HB2 ALA 68 -11.590 -4.839 -21.829 459 HB3 ALA 68 HB3 ALA 68 -11.077 -3.458 -20.861 460 H ALA 69 H ALA 69 -9.982 -7.162 -22.233 461 HA ALA 69 HA ALA 69 -11.954 -8.643 -20.705 462 HB1 ALA 69 HB1 ALA 69 -12.113 -8.488 -23.161 463 HB2 ALA 69 HB2 ALA 69 -10.599 -9.384 -23.295 464 HB3 ALA 69 HB3 ALA 69 -12.020 -10.154 -22.591 465 H LEU 70 H LEU 70 -8.670 -8.346 -20.580 466 HA LEU 70 HA LEU 70 -7.674 -10.934 -20.415 467 HB2 LEU 70 HB2 LEU 70 -5.995 -9.401 -20.352 468 HB3 LEU 70 HB3 LEU 70 -6.896 -8.298 -19.314 469 HG LEU 70 HG LEU 70 -6.386 -9.720 -17.378 470 HD11 LEU 70 HD11 LEU 70 -5.626 -11.577 -19.421 471 HD12 LEU 70 HD12 LEU 70 -5.806 -11.836 -17.686 472 HD13 LEU 70 HD13 LEU 70 -4.263 -11.285 -18.340 473 HD21 LEU 70 HD21 LEU 70 -4.371 -8.750 -17.035 474 HD22 LEU 70 HD22 LEU 70 -4.787 -7.901 -18.524 475 HD23 LEU 70 HD23 LEU 70 -3.717 -9.303 -18.577 476 HA PRO 71 HA PRO 71 -8.655 -10.924 -15.686 477 HB2 PRO 71 HB2 PRO 71 -10.237 -8.929 -14.744 478 HB3 PRO 71 HB3 PRO 71 -8.476 -8.803 -14.821 479 HG2 PRO 71 HG2 PRO 71 -10.536 -7.720 -16.704 480 HG3 PRO 71 HG3 PRO 71 -9.071 -6.940 -16.080 481 HD2 PRO 71 HD2 PRO 71 -9.196 -8.043 -18.550 482 HD3 PRO 71 HD3 PRO 71 -7.703 -8.019 -17.589 483 H GLY 72 H GLY 72 -11.074 -9.839 -17.975 484 HA2 GLY 72 HA2 GLY 72 -13.340 -10.892 -16.612 485 HA3 GLY 72 HA3 GLY 72 -13.267 -10.450 -18.311 486 H LYS 73 H LYS 73 -11.344 -12.150 -19.271 487 HA LYS 73 HA LYS 73 -12.807 -14.555 -19.577 488 HB2 LYS 73 HB2 LYS 73 -10.188 -13.508 -20.519 489 HB3 LYS 73 HB3 LYS 73 -10.422 -15.250 -20.574 490 HG2 LYS 73 HG2 LYS 73 -11.415 -14.959 -22.532 491 HG3 LYS 73 HG3 LYS 73 -12.752 -14.201 -21.663 492 HD2 LYS 73 HD2 LYS 73 -11.778 -12.023 -21.954 493 HD3 LYS 73 HD3 LYS 73 -10.314 -12.722 -22.649 494 HE2 LYS 73 HE2 LYS 73 -13.024 -13.132 -23.882 495 HE3 LYS 73 HE3 LYS 73 -12.026 -11.729 -24.263 496 HZ1 LYS 73 HZ1 LYS 73 -10.232 -13.435 -24.797 497 HZ2 LYS 73 HZ2 LYS 73 -11.505 -13.276 -25.899 498 HZ3 LYS 73 HZ3 LYS 73 -11.479 -14.578 -24.819 499 H CYS 74 H CYS 74 -10.454 -13.528 -17.299 500 HA CYS 74 HA CYS 74 -9.769 -16.245 -16.501 501 HB2 CYS 74 HB2 CYS 74 -8.861 -13.551 -15.473 502 HB3 CYS 74 HB3 CYS 74 -8.304 -15.092 -14.830 503 H GLY 75 H GLY 75 -12.464 -14.737 -16.145 504 HA2 GLY 75 HA2 GLY 75 -14.158 -14.713 -14.597 505 HA3 GLY 75 HA3 GLY 75 -13.320 -16.065 -13.848 506 H VAL 76 H VAL 76 -13.202 -12.517 -14.079 507 HA VAL 76 HA VAL 76 -12.655 -12.430 -11.198 508 HB VAL 76 HB VAL 76 -11.173 -10.687 -13.166 509 HG11 VAL 76 HG11 VAL 76 -9.775 -10.784 -10.795 510 HG12 VAL 76 HG12 VAL 76 -10.838 -9.475 -11.320 511 HG13 VAL 76 HG13 VAL 76 -11.458 -10.751 -10.271 512 HG21 VAL 76 HG21 VAL 76 -9.211 -12.048 -12.744 513 HG22 VAL 76 HG22 VAL 76 -10.143 -13.106 -11.685 514 HG23 VAL 76 HG23 VAL 76 -10.504 -13.045 -13.410 515 H ASN 77 H ASN 77 -13.362 -10.547 -10.144 516 HA ASN 77 HA ASN 77 -15.644 -9.309 -11.349 517 HB2 ASN 77 HB2 ASN 77 -14.365 -8.380 -8.790 518 HB3 ASN 77 HB3 ASN 77 -16.068 -8.365 -9.240 519 HD21 ASN 77 HD21 ASN 77 -14.246 -9.637 -7.066 520 HD22 ASN 77 HD22 ASN 77 -14.869 -11.244 -6.947 521 H ILE 78 H ILE 78 -15.453 -7.748 -12.809 522 HA ILE 78 HA ILE 78 -13.478 -5.618 -12.324 523 HB ILE 78 HB ILE 78 -14.289 -6.618 -15.054 524 HG12 ILE 78 HG12 ILE 78 -11.522 -7.036 -14.499 525 HG13 ILE 78 HG13 ILE 78 -12.454 -7.749 -13.188 526 HG21 ILE 78 HG21 ILE 78 -12.726 -4.348 -14.059 527 HG22 ILE 78 HG22 ILE 78 -11.941 -5.273 -15.338 528 HG23 ILE 78 HG23 ILE 78 -13.539 -4.577 -15.607 529 HD11 ILE 78 HD11 ILE 78 -13.835 -8.668 -15.301 530 HD12 ILE 78 HD12 ILE 78 -12.220 -8.554 -16.002 531 HD13 ILE 78 HD13 ILE 78 -12.487 -9.526 -14.555 532 HA PRO 79 HA PRO 79 -17.684 -3.737 -12.527 533 HB2 PRO 79 HB2 PRO 79 -17.191 -1.908 -10.582 534 HB3 PRO 79 HB3 PRO 79 -17.735 -3.554 -10.238 535 HG2 PRO 79 HG2 PRO 79 -14.970 -2.413 -10.136 536 HG3 PRO 79 HG3 PRO 79 -15.771 -3.507 -8.994 537 HD2 PRO 79 HD2 PRO 79 -14.000 -4.378 -10.848 538 HD3 PRO 79 HD3 PRO 79 -15.370 -5.365 -10.298 539 H TYR 80 H TYR 80 -14.503 -2.759 -13.134 540 HA TYR 80 HA TYR 80 -15.252 -0.052 -13.936 541 HB2 TYR 80 HB2 TYR 80 -12.565 -1.441 -13.905 542 HB3 TYR 80 HB3 TYR 80 -12.825 0.236 -14.370 543 HD1 TYR 80 HD1 TYR 80 -12.836 1.928 -12.751 544 HD2 TYR 80 HD2 TYR 80 -13.206 -2.130 -11.528 545 HE1 TYR 80 HE1 TYR 80 -12.597 2.621 -10.403 546 HE2 TYR 80 HE2 TYR 80 -12.970 -1.449 -9.176 547 HH TYR 80 HH TYR 80 -13.156 0.427 -7.775 548 H LYS 81 H LYS 81 -14.799 0.743 -16.060 549 HA LYS 81 HA LYS 81 -15.400 -1.213 -18.111 550 HB2 LYS 81 HB2 LYS 81 -15.221 1.792 -18.072 551 HB3 LYS 81 HB3 LYS 81 -15.386 0.901 -19.580 552 HG2 LYS 81 HG2 LYS 81 -17.568 1.449 -19.073 553 HG3 LYS 81 HG3 LYS 81 -17.430 -0.193 -18.438 554 HD2 LYS 81 HD2 LYS 81 -17.406 0.520 -16.239 555 HD3 LYS 81 HD3 LYS 81 -16.840 2.138 -16.662 556 HE2 LYS 81 HE2 LYS 81 -19.059 2.543 -17.737 557 HE3 LYS 81 HE3 LYS 81 -19.596 0.994 -17.090 558 HZ1 LYS 81 HZ1 LYS 81 -19.190 1.812 -14.862 559 HZ2 LYS 81 HZ2 LYS 81 -20.257 2.843 -15.673 560 HZ3 LYS 81 HZ3 LYS 81 -18.639 3.292 -15.469 561 H ILE 82 H ILE 82 -12.633 -0.411 -16.680 562 HA ILE 82 HA ILE 82 -10.424 -0.512 -17.220 563 HB ILE 82 HB ILE 82 -11.605 -2.097 -19.489 564 HG12 ILE 82 HG12 ILE 82 -11.643 -2.962 -17.112 565 HG13 ILE 82 HG13 ILE 82 -10.833 -4.002 -18.278 566 HG21 ILE 82 HG21 ILE 82 -8.849 -1.127 -19.128 567 HG22 ILE 82 HG22 ILE 82 -9.014 -2.841 -19.505 568 HG23 ILE 82 HG23 ILE 82 -9.695 -1.631 -20.591 569 HD11 ILE 82 HD11 ILE 82 -8.953 -3.936 -17.117 570 HD12 ILE 82 HD12 ILE 82 -8.968 -2.172 -17.082 571 HD13 ILE 82 HD13 ILE 82 -9.837 -3.087 -15.850 572 H SER 83 H SER 83 -9.871 1.596 -17.553 573 HA SER 83 HA SER 83 -9.781 2.475 -20.359 574 HB2 SER 83 HB2 SER 83 -11.403 3.950 -19.712 575 HB3 SER 83 HB3 SER 83 -10.950 3.867 -18.010 576 HG SER 83 HG SER 83 -10.336 5.861 -18.689 577 H THR 84 H THR 84 -7.754 2.769 -20.971 578 HA THR 84 HA THR 84 -5.583 2.835 -19.135 579 HB THR 84 HB THR 84 -4.161 3.206 -21.111 580 HG1 THR 84 HG1 THR 84 -5.271 4.444 -22.506 581 HG21 THR 84 HG21 THR 84 -5.923 1.003 -20.672 582 HG22 THR 84 HG22 THR 84 -4.299 0.998 -21.360 583 HG23 THR 84 HG23 THR 84 -5.700 1.215 -22.408 584 H THR 85 H THR 85 -7.694 5.222 -20.198 585 HA THR 85 HA THR 85 -5.751 7.389 -19.890 586 HB THR 85 HB THR 85 -7.304 7.511 -21.802 587 HG1 THR 85 HG1 THR 85 -6.727 9.517 -21.228 588 HG21 THR 85 HG21 THR 85 -9.257 6.429 -20.960 589 HG22 THR 85 HG22 THR 85 -9.699 8.103 -21.295 590 HG23 THR 85 HG23 THR 85 -9.401 7.585 -19.636 591 H THR 86 H THR 86 -7.851 5.617 -18.001 592 HA THR 86 HA THR 86 -8.826 7.707 -16.299 593 HB THR 86 HB THR 86 -8.705 4.716 -15.872 594 HG1 THR 86 HG1 THR 86 -10.694 6.507 -16.817 595 HG21 THR 86 HG21 THR 86 -10.330 5.106 -14.063 596 HG22 THR 86 HG22 THR 86 -10.138 6.846 -14.280 597 HG23 THR 86 HG23 THR 86 -8.776 5.870 -13.728 598 H ASN 87 H ASN 87 -8.112 8.307 -14.270 599 HA ASN 87 HA ASN 87 -5.293 7.856 -13.771 600 HB2 ASN 87 HB2 ASN 87 -6.341 10.123 -13.591 601 HB3 ASN 87 HB3 ASN 87 -7.242 9.546 -12.193 602 HD21 ASN 87 HD21 ASN 87 -6.298 11.013 -10.806 603 HD22 ASN 87 HD22 ASN 87 -4.652 10.887 -10.297 604 H CYS 88 H CYS 88 -4.871 5.927 -12.863 605 HA CYS 88 HA CYS 88 -6.607 4.714 -10.928 606 HB2 CYS 88 HB2 CYS 88 -3.784 3.953 -11.706 607 HB3 CYS 88 HB3 CYS 88 -4.929 2.946 -10.826 608 H ASN 89 H ASN 89 -4.522 7.233 -10.692 609 HA ASN 89 HA ASN 89 -3.350 6.560 -8.129 610 HB2 ASN 89 HB2 ASN 89 -2.933 8.578 -10.175 611 HB3 ASN 89 HB3 ASN 89 -2.986 9.295 -8.567 612 HD21 ASN 89 HD21 ASN 89 -0.973 8.101 -10.805 613 HD22 ASN 89 HD22 ASN 89 0.325 7.564 -9.799 614 H THR 90 H THR 90 -6.231 7.954 -9.288 615 HA THR 90 HA THR 90 -6.799 9.127 -6.644 616 HB THR 90 HB THR 90 -6.920 10.791 -8.420 617 HG1 THR 90 HG1 THR 90 -9.555 10.077 -7.604 618 HG21 THR 90 HG21 THR 90 -9.096 9.095 -9.646 619 HG22 THR 90 HG22 THR 90 -7.444 9.187 -10.257 620 HG23 THR 90 HG23 THR 90 -8.466 10.624 -10.257 621 H VAL 91 H VAL 91 -7.028 6.369 -6.998 622 HA VAL 91 HA VAL 91 -9.954 5.999 -6.979 623 HB VAL 91 HB VAL 91 -9.777 3.884 -7.923 624 HG11 VAL 91 HG11 VAL 91 -8.617 4.160 -9.977 625 HG12 VAL 91 HG12 VAL 91 -9.163 5.764 -9.481 626 HG13 VAL 91 HG13 VAL 91 -7.477 5.296 -9.257 627 HG21 VAL 91 HG21 VAL 91 -7.161 3.123 -8.238 628 HG22 VAL 91 HG22 VAL 91 -7.150 3.884 -6.647 629 HG23 VAL 91 HG23 VAL 91 -8.250 2.546 -6.977 630 H LYS 92 H LYS 92 -10.773 4.385 -5.506 631 HA LYS 92 HA LYS 92 -9.211 4.303 -3.034 632 HB2 LYS 92 HB2 LYS 92 -11.234 4.002 -1.876 633 HB3 LYS 92 HB3 LYS 92 -11.626 5.148 -3.151 634 HG2 LYS 92 HG2 LYS 92 -12.398 3.109 -4.490 635 HG3 LYS 92 HG3 LYS 92 -12.350 2.248 -2.950 636 HD2 LYS 92 HD2 LYS 92 -13.754 4.318 -2.128 637 HD3 LYS 92 HD3 LYS 92 -14.144 4.455 -3.844 638 HE2 LYS 92 HE2 LYS 92 -14.619 2.086 -2.042 639 HE3 LYS 92 HE3 LYS 92 -15.836 3.129 -2.775 640 HZ1 LYS 92 HZ1 LYS 92 -14.885 2.358 -4.975 641 HZ2 LYS 92 HZ2 LYS 92 -15.777 1.220 -4.098 642 HZ3 LYS 92 HZ3 LYS 92 -14.087 1.147 -4.103 643 H PHE 93 H PHE 93 -10.327 2.146 -1.761 644 HA PHE 93 HA PHE 93 -8.880 -0.018 -2.962 645 HB2 PHE 93 HB2 PHE 93 -9.382 -1.248 -0.968 646 HB3 PHE 93 HB3 PHE 93 -9.022 0.407 -0.487 647 HD1 PHE 93 HD1 PHE 93 -11.494 -2.220 -0.554 648 HD2 PHE 93 HD2 PHE 93 -10.875 1.932 0.150 649 HE1 PHE 93 HE1 PHE 93 -13.646 -2.104 0.633 650 HE2 PHE 93 HE2 PHE 93 -13.025 2.055 1.339 651 HZ PHE 93 HZ PHE 93 -14.413 0.035 1.583 652 HC11 PGM 101 H11 PPG 103 10.562 -5.917 -17.321 653 HC12 PGM 101 H12 PPG 103 10.202 -7.498 -17.083 654 HO1 PGM 101 H1 PPG 103 12.254 -6.025 -15.867 655 HC2 PGM 101 H2A PPG 103 12.797 -6.841 -18.245 656 HO2 PGM 101 H2 PPG 103 11.980 -8.989 -17.390 657 HC31 PGM 101 H31 PPG 103 10.175 -7.124 -19.540 658 HC32 PGM 101 H32 PPG 103 11.567 -7.309 -20.389 659 HC71 PGM 101 H91 PPG 103 9.074 -2.893 -20.068 660 HC72 PGM 101 H92 PPG 103 9.580 -4.012 -19.003 661 HC8 PGM 101 H10A PPG 103 7.678 -2.885 -18.131 662 HO8 PGM 101 H10 PPG 103 6.198 -4.900 -18.139 663 HC91 PGM 101 H111 PPG 103 6.515 -3.844 -20.639 664 HC92 PGM 101 H112 PPG 103 6.449 -2.314 -20.087 665 HCB1 PGM 101 H151 PPG 103 2.955 -4.800 -18.376 666 HCB2 PGM 101 H152 PPG 103 2.562 -5.513 -19.789 667 HCC1 PGM 101 H161 PPG 103 1.861 -3.379 -20.662 668 HCC2 PGM 101 H162 PPG 103 2.257 -2.675 -19.246 669 HCD1 PGM 101 H171 PPG 103 0.533 -3.605 -18.147 670 HCD2 PGM 101 H172 PPG 103 0.553 -4.937 -19.080 671 HCE1 PGM 101 H181 PPG 103 -0.579 -3.812 -20.791 672 HCE2 PGM 101 H182 PPG 103 -0.477 -2.406 -19.978 673 HCF1 PGM 101 H191 PPG 103 -1.865 -4.495 -18.700 674 HCF2 PGM 101 H192 PPG 103 -2.595 -3.835 -19.999 675 HCG1 PGM 101 H201 PPG 103 -1.855 -1.854 -18.237 676 HCG2 PGM 101 H202 PPG 103 -2.783 -2.961 -17.490 677 HCH1 PGM 101 H211 PPG 103 -3.791 -1.978 -19.958 678 HCH2 PGM 101 H212 PPG 103 -3.856 -0.952 -18.688 679 HCI1 PGM 101 H221 PPG 103 -4.645 -3.606 -18.071 680 HCI2 PGM 101 H222 PPG 103 -5.672 -2.826 -19.078 681 HCJ1 PGM 101 H231 PPG 103 -6.578 -1.932 -17.314 682 HCJ2 PGM 101 H232 PPG 103 -5.208 -1.054 -17.139 683 HCK1 PGM 101 H241 PPG 103 -4.319 -2.679 -15.676 684 HCK2 PGM 101 H242 PPG 103 -5.630 -3.627 -15.891 685 HCL1 PGM 101 H251 PPG 103 -6.998 -2.197 -14.696 686 HCL2 PGM 101 H252 PPG 103 -5.958 -0.944 -14.848 687 HCM1 PGM 101 H261 PPG 103 -5.389 -1.706 -12.733 688 HCM2 PGM 101 H262 PPG 103 -4.337 -2.562 -13.636 689 HCN1 PGM 101 H271 PPG 103 -6.030 -4.309 -13.831 690 HCN2 PGM 101 H272 PPG 103 -6.951 -3.486 -12.769 691 HCO1 PGM 101 H281 PPG 103 -5.852 -4.771 -11.314 692 HCO2 PGM 101 H282 PPG 103 -4.803 -3.515 -11.388 693 HCP1 PGM 101 H291 PPG 103 -3.634 -5.548 -11.351 694 HCP2 PGM 101 H292 PPG 103 -4.421 -6.037 -12.695 695 HCP3 PGM 101 H293 PPG 103 -3.381 -4.787 -12.778 Start of MODEL 20 1 H ALA 1 H ALA 1 2.214 -1.366 1.812 2 HA ALA 1 HA ALA 1 1.957 -0.418 -0.913 3 HB1 ALA 1 HB1 ALA 1 3.577 0.313 1.135 4 HB2 ALA 1 HB2 ALA 1 4.656 -0.723 0.200 5 HB3 ALA 1 HB3 ALA 1 3.890 0.670 -0.563 6 H ILE 2 H ILE 2 1.981 -1.778 -2.569 7 HA ILE 2 HA ILE 2 3.071 -4.440 -2.308 8 HB ILE 2 HB ILE 2 2.196 -4.863 -4.510 9 HG12 ILE 2 HG12 ILE 2 1.624 -1.893 -4.636 10 HG13 ILE 2 HG13 ILE 2 2.847 -2.747 -5.570 11 HG21 ILE 2 HG21 ILE 2 0.107 -5.021 -3.748 12 HG22 ILE 2 HG22 ILE 2 0.673 -4.154 -2.321 13 HG23 ILE 2 HG23 ILE 2 -0.074 -3.269 -3.650 14 HD11 ILE 2 HD11 ILE 2 0.157 -2.270 -6.238 15 HD12 ILE 2 HD12 ILE 2 1.364 -3.181 -7.146 16 HD13 ILE 2 HD13 ILE 2 0.328 -4.007 -5.983 17 H SER 3 H SER 3 4.122 -5.078 -4.685 18 HA SER 3 HA SER 3 6.490 -3.336 -4.895 19 HB2 SER 3 HB2 SER 3 6.439 -6.279 -5.561 20 HB3 SER 3 HB3 SER 3 7.844 -5.248 -5.290 21 HG SER 3 HG SER 3 7.254 -5.107 -3.109 22 H CYS 4 H CYS 4 6.409 -2.177 -6.698 23 HA CYS 4 HA CYS 4 4.799 -2.581 -8.899 24 HB2 CYS 4 HB2 CYS 4 6.226 -0.534 -8.265 25 HB3 CYS 4 HB3 CYS 4 7.529 -1.333 -9.139 26 H GLY 5 H GLY 5 8.011 -3.865 -8.250 27 HA2 GLY 5 HA2 GLY 5 8.627 -4.850 -10.793 28 HA3 GLY 5 HA3 GLY 5 9.225 -5.516 -9.281 29 H ALA 6 H ALA 6 6.502 -6.123 -8.327 30 HA ALA 6 HA ALA 6 6.244 -8.690 -9.645 31 HB1 ALA 6 HB1 ALA 6 4.518 -7.689 -7.401 32 HB2 ALA 6 HB2 ALA 6 4.918 -9.353 -7.827 33 HB3 ALA 6 HB3 ALA 6 6.149 -8.303 -7.127 34 H VAL 7 H VAL 7 4.722 -5.614 -9.729 35 HA VAL 7 HA VAL 7 2.134 -6.398 -10.569 36 HB VAL 7 HB VAL 7 3.573 -3.812 -11.178 37 HG11 VAL 7 HG11 VAL 7 1.052 -4.803 -12.000 38 HG12 VAL 7 HG12 VAL 7 0.764 -3.525 -10.818 39 HG13 VAL 7 HG13 VAL 7 1.733 -3.197 -12.255 40 HG21 VAL 7 HG21 VAL 7 1.673 -4.333 -8.905 41 HG22 VAL 7 HG22 VAL 7 3.423 -4.476 -8.738 42 HG23 VAL 7 HG23 VAL 7 2.703 -2.925 -9.167 43 H THR 8 H THR 8 4.970 -5.264 -12.403 44 HA THR 8 HA THR 8 3.734 -5.748 -14.940 45 HB THR 8 HB THR 8 5.904 -5.214 -15.914 46 HG1 THR 8 HG1 THR 8 6.948 -4.960 -13.287 47 HG21 THR 8 HG21 THR 8 5.487 -3.051 -15.571 48 HG22 THR 8 HG22 THR 8 6.067 -3.157 -13.909 49 HG23 THR 8 HG23 THR 8 4.381 -3.517 -14.280 50 H SER 9 H SER 9 6.153 -7.426 -12.969 51 HA SER 9 HA SER 9 6.857 -9.427 -14.775 52 HB2 SER 9 HB2 SER 9 6.884 -9.200 -11.793 53 HB3 SER 9 HB3 SER 9 7.190 -10.775 -12.524 54 HG SER 9 HG SER 9 9.106 -10.108 -13.037 55 H ASP 10 H ASP 10 4.105 -9.171 -12.608 56 HA ASP 10 HA ASP 10 3.180 -11.819 -12.821 57 HB2 ASP 10 HB2 ASP 10 1.930 -9.207 -12.068 58 HB3 ASP 10 HB3 ASP 10 0.894 -10.606 -12.330 59 H LEU 11 H LEU 11 3.101 -9.182 -15.022 60 HA LEU 11 HA LEU 11 1.106 -10.545 -16.695 61 HB2 LEU 11 HB2 LEU 11 2.120 -7.719 -16.631 62 HB3 LEU 11 HB3 LEU 11 1.203 -8.352 -17.997 63 HG LEU 11 HG LEU 11 0.254 -7.972 -15.162 64 HD11 LEU 11 HD11 LEU 11 0.220 -5.948 -16.445 65 HD12 LEU 11 HD12 LEU 11 -1.433 -6.544 -16.294 66 HD13 LEU 11 HD13 LEU 11 -0.550 -6.767 -17.804 67 HD21 LEU 11 HD21 LEU 11 -1.935 -8.716 -16.617 68 HD22 LEU 11 HD22 LEU 11 -1.034 -9.767 -15.524 69 HD23 LEU 11 HD23 LEU 11 -0.686 -9.786 -17.254 70 H SER 12 H SER 12 4.153 -10.971 -16.299 71 HA SER 12 HA SER 12 5.534 -10.316 -18.616 72 HB2 SER 12 HB2 SER 12 7.000 -11.213 -17.120 73 HB3 SER 12 HB3 SER 12 5.818 -12.362 -16.493 74 HG SER 12 HG SER 12 7.305 -12.563 -18.901 75 HA PRO 13 HA PRO 13 4.156 -14.529 -20.539 76 HB2 PRO 13 HB2 PRO 13 2.189 -15.898 -19.262 77 HB3 PRO 13 HB3 PRO 13 3.906 -16.126 -18.906 78 HG2 PRO 13 HG2 PRO 13 1.868 -14.495 -17.440 79 HG3 PRO 13 HG3 PRO 13 3.124 -15.564 -16.789 80 HD2 PRO 13 HD2 PRO 13 3.400 -12.871 -16.868 81 HD3 PRO 13 HD3 PRO 13 4.778 -13.977 -17.035 82 H CYS 14 H CYS 14 2.010 -12.233 -19.148 83 HA CYS 14 HA CYS 14 -0.182 -12.827 -20.953 84 HB2 CYS 14 HB2 CYS 14 0.189 -10.568 -18.974 85 HB3 CYS 14 HB3 CYS 14 -1.290 -10.906 -19.867 86 H LEU 15 H LEU 15 2.536 -10.681 -20.754 87 HA LEU 15 HA LEU 15 1.854 -8.560 -22.334 88 HB2 LEU 15 HB2 LEU 15 4.100 -9.190 -21.220 89 HB3 LEU 15 HB3 LEU 15 4.463 -9.969 -22.759 90 HG LEU 15 HG LEU 15 4.313 -7.852 -23.913 91 HD11 LEU 15 HD11 LEU 15 2.981 -7.036 -21.463 92 HD12 LEU 15 HD12 LEU 15 2.917 -6.331 -23.078 93 HD13 LEU 15 HD13 LEU 15 4.224 -5.895 -21.977 94 HD21 LEU 15 HD21 LEU 15 5.959 -7.001 -21.629 95 HD22 LEU 15 HD22 LEU 15 6.384 -7.192 -23.330 96 HD23 LEU 15 HD23 LEU 15 6.327 -8.602 -22.271 97 H THR 16 H THR 16 2.948 -11.751 -23.447 98 HA THR 16 HA THR 16 3.057 -11.332 -26.160 99 HB THR 16 HB THR 16 2.032 -13.796 -24.738 100 HG1 THR 16 HG1 THR 16 4.618 -13.069 -25.698 101 HG21 THR 16 HG21 THR 16 1.625 -14.674 -26.743 102 HG22 THR 16 HG22 THR 16 3.315 -14.425 -27.181 103 HG23 THR 16 HG23 THR 16 2.121 -13.173 -27.523 104 H TYR 17 H TYR 17 0.207 -12.650 -24.458 105 HA TYR 17 HA TYR 17 -1.534 -12.412 -26.651 106 HB2 TYR 17 HB2 TYR 17 -2.137 -13.890 -24.877 107 HB3 TYR 17 HB3 TYR 17 -2.048 -12.600 -23.683 108 HD1 TYR 17 HD1 TYR 17 -4.091 -11.941 -22.863 109 HD2 TYR 17 HD2 TYR 17 -3.826 -13.154 -26.932 110 HE1 TYR 17 HE1 TYR 17 -6.497 -11.512 -23.141 111 HE2 TYR 17 HE2 TYR 17 -6.230 -12.728 -27.222 112 HH TYR 17 HH TYR 17 -8.192 -12.394 -26.078 113 H LEU 18 H LEU 18 -0.600 -10.164 -24.142 114 HA LEU 18 HA LEU 18 -2.670 -8.260 -24.737 115 HB2 LEU 18 HB2 LEU 18 -0.164 -8.127 -23.080 116 HB3 LEU 18 HB3 LEU 18 -1.251 -6.755 -23.283 117 HG LEU 18 HG LEU 18 -1.910 -9.392 -21.974 118 HD11 LEU 18 HD11 LEU 18 -1.777 -6.633 -20.777 119 HD12 LEU 18 HD12 LEU 18 -0.463 -7.805 -20.696 120 HD13 LEU 18 HD13 LEU 18 -2.013 -8.164 -19.935 121 HD21 LEU 18 HD21 LEU 18 -3.623 -6.955 -22.450 122 HD22 LEU 18 HD22 LEU 18 -4.061 -8.321 -21.423 123 HD23 LEU 18 HD23 LEU 18 -3.846 -8.555 -23.158 124 H THR 19 H THR 19 -0.008 -9.200 -26.409 125 HA THR 19 HA THR 19 0.340 -6.533 -27.617 126 HB THR 19 HB THR 19 2.602 -7.299 -28.338 127 HG1 THR 19 HG1 THR 19 3.021 -9.351 -28.088 128 HG21 THR 19 HG21 THR 19 1.751 -6.468 -25.761 129 HG22 THR 19 HG22 THR 19 3.307 -6.186 -26.542 130 HG23 THR 19 HG23 THR 19 3.067 -7.622 -25.546 131 H GLY 20 H GLY 20 -1.697 -8.381 -28.366 132 HA2 GLY 20 HA2 GLY 20 -2.635 -8.920 -30.423 133 HA3 GLY 20 HA3 GLY 20 -1.090 -8.574 -31.186 134 H GLY 21 H GLY 21 -0.217 -10.527 -28.779 135 HA2 GLY 21 HA2 GLY 21 0.090 -12.792 -30.512 136 HA3 GLY 21 HA3 GLY 21 0.602 -12.685 -28.834 137 HA PRO 22 HA PRO 22 -3.167 -15.481 -29.343 138 HB2 PRO 22 HB2 PRO 22 -1.957 -17.796 -28.606 139 HB3 PRO 22 HB3 PRO 22 -2.023 -17.238 -30.282 140 HG2 PRO 22 HG2 PRO 22 0.208 -17.016 -28.298 141 HG3 PRO 22 HG3 PRO 22 0.277 -17.450 -30.016 142 HD2 PRO 22 HD2 PRO 22 0.893 -14.973 -29.114 143 HD3 PRO 22 HD3 PRO 22 0.159 -15.254 -30.705 144 H GLY 23 H GLY 23 -4.396 -16.291 -27.628 145 HA2 GLY 23 HA2 GLY 23 -3.914 -17.134 -25.180 146 HA3 GLY 23 HA3 GLY 23 -3.458 -15.448 -24.989 147 HA PRO 24 HA PRO 24 -4.038 -14.886 -23.148 148 HB2 PRO 24 HB2 PRO 24 -5.380 -15.361 -20.836 149 HB3 PRO 24 HB3 PRO 24 -5.474 -13.823 -21.703 150 HG2 PRO 24 HG2 PRO 24 -7.391 -16.123 -21.711 151 HG3 PRO 24 HG3 PRO 24 -7.730 -14.384 -21.626 152 HD2 PRO 24 HD2 PRO 24 -7.957 -15.802 -23.922 153 HD3 PRO 24 HD3 PRO 24 -7.470 -14.095 -23.898 154 H SER 25 H SER 25 -2.532 -16.368 -22.736 155 HA SER 25 HA SER 25 -3.000 -19.139 -22.922 156 HB2 SER 25 HB2 SER 25 -0.723 -19.375 -22.742 157 HB3 SER 25 HB3 SER 25 -0.789 -17.658 -23.138 158 HG SER 25 HG SER 25 0.334 -17.514 -21.352 159 HA PRO 26 HA PRO 26 -4.087 -20.442 -18.878 160 HB2 PRO 26 HB2 PRO 26 -2.593 -22.683 -18.534 161 HB3 PRO 26 HB3 PRO 26 -3.975 -22.609 -19.634 162 HG2 PRO 26 HG2 PRO 26 -1.053 -22.383 -20.245 163 HG3 PRO 26 HG3 PRO 26 -2.312 -23.277 -21.116 164 HD2 PRO 26 HD2 PRO 26 -1.401 -20.865 -21.944 165 HD3 PRO 26 HD3 PRO 26 -3.076 -21.393 -22.201 166 H GLN 27 H GLN 27 -0.630 -20.171 -19.508 167 HA GLN 27 HA GLN 27 0.106 -20.173 -16.735 168 HB2 GLN 27 HB2 GLN 27 1.708 -19.276 -19.136 169 HB3 GLN 27 HB3 GLN 27 2.344 -19.623 -17.533 170 HG2 GLN 27 HG2 GLN 27 1.780 -21.949 -17.757 171 HG3 GLN 27 HG3 GLN 27 0.982 -21.642 -19.299 172 HE21 GLN 27 HE21 GLN 27 2.168 -21.561 -21.127 173 HE22 GLN 27 HE22 GLN 27 3.878 -21.798 -21.189 174 H CYS 28 H CYS 28 -0.817 -17.789 -19.083 175 HA CYS 28 HA CYS 28 0.239 -15.522 -17.714 176 HB2 CYS 28 HB2 CYS 28 -0.158 -14.971 -19.901 177 HB3 CYS 28 HB3 CYS 28 -1.592 -15.986 -20.010 178 H CYS 29 H CYS 29 -3.052 -16.859 -17.997 179 HA CYS 29 HA CYS 29 -4.403 -15.073 -16.392 180 HB2 CYS 29 HB2 CYS 29 -4.794 -17.932 -17.115 181 HB3 CYS 29 HB3 CYS 29 -5.742 -17.306 -15.770 182 H GLY 30 H GLY 30 -2.362 -17.775 -15.451 183 HA2 GLY 30 HA2 GLY 30 -3.036 -18.022 -12.768 184 HA3 GLY 30 HA3 GLY 30 -1.436 -18.335 -13.426 185 H GLY 31 H GLY 31 -0.791 -15.737 -14.290 186 HA2 GLY 31 HA2 GLY 31 0.045 -14.606 -11.789 187 HA3 GLY 31 HA3 GLY 31 0.390 -13.968 -13.389 188 H VAL 32 H VAL 32 -2.223 -13.627 -14.330 189 HA VAL 32 HA VAL 32 -2.857 -11.085 -13.500 190 HB VAL 32 HB VAL 32 -4.774 -13.153 -14.586 191 HG11 VAL 32 HG11 VAL 32 -6.132 -11.263 -15.303 192 HG12 VAL 32 HG12 VAL 32 -5.928 -11.255 -13.550 193 HG13 VAL 32 HG13 VAL 32 -4.993 -10.145 -14.554 194 HG21 VAL 32 HG21 VAL 32 -4.274 -12.240 -16.759 195 HG22 VAL 32 HG22 VAL 32 -3.211 -11.026 -16.047 196 HG23 VAL 32 HG23 VAL 32 -2.768 -12.732 -15.984 197 H LYS 33 H LYS 33 -4.355 -14.123 -12.408 198 HA LYS 33 HA LYS 33 -6.178 -12.995 -10.610 199 HB2 LYS 33 HB2 LYS 33 -4.809 -15.689 -10.553 200 HB3 LYS 33 HB3 LYS 33 -6.162 -15.246 -9.521 201 HG2 LYS 33 HG2 LYS 33 -7.668 -15.504 -11.163 202 HG3 LYS 33 HG3 LYS 33 -6.602 -14.821 -12.393 203 HD2 LYS 33 HD2 LYS 33 -5.341 -16.929 -12.449 204 HD3 LYS 33 HD3 LYS 33 -6.437 -17.608 -11.244 205 HE2 LYS 33 HE2 LYS 33 -7.974 -16.517 -13.386 206 HE3 LYS 33 HE3 LYS 33 -6.726 -17.566 -14.058 207 HZ1 LYS 33 HZ1 LYS 33 -7.513 -19.197 -12.251 208 HZ2 LYS 33 HZ2 LYS 33 -8.457 -19.012 -13.642 209 HZ3 LYS 33 HZ3 LYS 33 -8.912 -18.247 -12.204 210 H LYS 34 H LYS 34 -2.827 -14.033 -10.159 211 HA LYS 34 HA LYS 34 -2.714 -13.640 -7.371 212 HB2 LYS 34 HB2 LYS 34 -1.023 -14.948 -8.496 213 HB3 LYS 34 HB3 LYS 34 -0.542 -13.565 -9.470 214 HG2 LYS 34 HG2 LYS 34 0.642 -12.608 -7.781 215 HG3 LYS 34 HG3 LYS 34 -0.390 -13.289 -6.522 216 HD2 LYS 34 HD2 LYS 34 0.694 -15.349 -6.576 217 HD3 LYS 34 HD3 LYS 34 1.362 -15.063 -8.185 218 HE2 LYS 34 HE2 LYS 34 3.217 -14.754 -6.854 219 HE3 LYS 34 HE3 LYS 34 2.616 -13.104 -7.007 220 HZ1 LYS 34 HZ1 LYS 34 1.311 -13.820 -4.847 221 HZ2 LYS 34 HZ2 LYS 34 2.883 -13.200 -4.772 222 HZ3 LYS 34 HZ3 LYS 34 2.627 -14.869 -4.681 223 H LEU 35 H LEU 35 -2.118 -11.485 -10.099 224 HA LEU 35 HA LEU 35 -1.077 -9.325 -8.602 225 HB2 LEU 35 HB2 LEU 35 -0.664 -9.302 -10.911 226 HB3 LEU 35 HB3 LEU 35 -2.364 -9.549 -11.302 227 HG LEU 35 HG LEU 35 -2.881 -7.274 -10.657 228 HD11 LEU 35 HD11 LEU 35 -1.620 -6.192 -9.193 229 HD12 LEU 35 HD12 LEU 35 -0.328 -6.104 -10.389 230 HD13 LEU 35 HD13 LEU 35 -0.399 -7.462 -9.267 231 HD21 LEU 35 HD21 LEU 35 -1.092 -6.150 -12.278 232 HD22 LEU 35 HD22 LEU 35 -2.398 -7.174 -12.873 233 HD23 LEU 35 HD23 LEU 35 -0.778 -7.841 -12.666 234 H LEU 36 H LEU 36 -4.342 -9.915 -9.900 235 HA LEU 36 HA LEU 36 -5.514 -7.627 -8.735 236 HB2 LEU 36 HB2 LEU 36 -6.667 -10.218 -9.732 237 HB3 LEU 36 HB3 LEU 36 -7.670 -8.913 -9.103 238 HG LEU 36 HG LEU 36 -5.823 -8.642 -11.473 239 HD11 LEU 36 HD11 LEU 36 -7.585 -10.243 -11.968 240 HD12 LEU 36 HD12 LEU 36 -7.853 -8.731 -12.836 241 HD13 LEU 36 HD13 LEU 36 -8.803 -9.102 -11.396 242 HD21 LEU 36 HD21 LEU 36 -8.092 -6.870 -10.589 243 HD22 LEU 36 HD22 LEU 36 -6.902 -6.558 -11.854 244 HD23 LEU 36 HD23 LEU 36 -6.406 -6.582 -10.161 245 H ALA 37 H ALA 37 -5.131 -10.948 -7.621 246 HA ALA 37 HA ALA 37 -6.785 -10.763 -5.344 247 HB1 ALA 37 HB1 ALA 37 -5.652 -12.773 -4.573 248 HB2 ALA 37 HB2 ALA 37 -6.044 -12.898 -6.289 249 HB3 ALA 37 HB3 ALA 37 -4.391 -12.544 -5.785 250 H ALA 38 H ALA 38 -3.627 -9.568 -6.011 251 HA ALA 38 HA ALA 38 -2.866 -9.296 -3.232 252 HB1 ALA 38 HB1 ALA 38 -1.177 -9.743 -4.957 253 HB2 ALA 38 HB2 ALA 38 -1.542 -8.188 -5.705 254 HB3 ALA 38 HB3 ALA 38 -0.851 -8.246 -4.083 255 H ALA 39 H ALA 39 -4.119 -7.264 -5.818 256 HA ALA 39 HA ALA 39 -3.872 -4.824 -4.322 257 HB1 ALA 39 HB1 ALA 39 -3.815 -4.930 -6.808 258 HB2 ALA 39 HB2 ALA 39 -5.533 -5.329 -6.785 259 HB3 ALA 39 HB3 ALA 39 -4.981 -3.772 -6.167 260 H ASN 40 H ASN 40 -4.988 -5.771 -2.396 261 HA ASN 40 HA ASN 40 -7.911 -5.774 -2.659 262 HB2 ASN 40 HB2 ASN 40 -6.887 -7.743 -1.578 263 HB3 ASN 40 HB3 ASN 40 -6.185 -6.694 -0.349 264 HD21 ASN 40 HD21 ASN 40 -7.397 -6.061 1.344 265 HD22 ASN 40 HD22 ASN 40 -9.044 -6.523 1.589 266 H THR 41 H THR 41 -5.388 -3.766 -1.780 267 HA THR 41 HA THR 41 -7.091 -2.199 0.041 268 HB THR 41 HB THR 41 -4.633 -1.028 0.243 269 HG1 THR 41 HG1 THR 41 -3.164 -2.823 0.464 270 HG21 THR 41 HG21 THR 41 -5.394 -1.413 2.317 271 HG22 THR 41 HG22 THR 41 -4.542 -2.954 2.209 272 HG23 THR 41 HG23 THR 41 -6.259 -2.867 1.819 273 H THR 42 H THR 42 -6.585 0.228 -0.085 274 HA THR 42 HA THR 42 -7.271 1.130 -2.684 275 HB THR 42 HB THR 42 -6.641 2.493 -0.096 276 HG1 THR 42 HG1 THR 42 -8.795 3.415 -0.786 277 HG21 THR 42 HG21 THR 42 -5.594 4.085 -1.388 278 HG22 THR 42 HG22 THR 42 -7.266 4.640 -1.483 279 HG23 THR 42 HG23 THR 42 -6.564 3.721 -2.814 280 HA PRO 43 HA PRO 43 -2.793 2.977 -2.727 281 HB2 PRO 43 HB2 PRO 43 -1.051 2.004 -0.886 282 HB3 PRO 43 HB3 PRO 43 -2.071 3.417 -0.590 283 HG2 PRO 43 HG2 PRO 43 -2.473 0.579 0.271 284 HG3 PRO 43 HG3 PRO 43 -2.715 2.073 1.194 285 HD2 PRO 43 HD2 PRO 43 -4.764 0.712 0.063 286 HD3 PRO 43 HD3 PRO 43 -4.773 2.478 0.240 287 H ASP 44 H ASP 44 -3.650 -0.293 -2.296 288 HA ASP 44 HA ASP 44 -1.229 -1.356 -3.499 289 HB2 ASP 44 HB2 ASP 44 -3.697 -2.527 -2.291 290 HB3 ASP 44 HB3 ASP 44 -2.767 -3.508 -3.421 291 H ARG 45 H ARG 45 -4.575 -0.714 -4.366 292 HA ARG 45 HA ARG 45 -4.418 -2.001 -6.920 293 HB2 ARG 45 HB2 ARG 45 -6.415 0.037 -5.919 294 HB3 ARG 45 HB3 ARG 45 -6.602 -0.986 -7.336 295 HG2 ARG 45 HG2 ARG 45 -6.046 -2.578 -5.006 296 HG3 ARG 45 HG3 ARG 45 -7.436 -1.526 -4.734 297 HD2 ARG 45 HD2 ARG 45 -7.982 -2.422 -7.219 298 HD3 ARG 45 HD3 ARG 45 -7.110 -3.810 -6.569 299 HE ARG 45 HE ARG 45 -8.948 -3.127 -4.644 300 HH11 ARG 45 HH11 ARG 45 -9.045 -4.068 -7.994 301 HH12 ARG 45 HH12 ARG 45 -10.600 -4.823 -7.872 302 HH21 ARG 45 HH21 ARG 45 -10.996 -4.118 -4.471 303 HH22 ARG 45 HH22 ARG 45 -11.709 -4.850 -5.868 304 H GLN 46 H GLN 46 -4.221 1.345 -5.776 305 HA GLN 46 HA GLN 46 -4.115 2.632 -8.243 306 HB2 GLN 46 HB2 GLN 46 -2.692 3.409 -5.692 307 HB3 GLN 46 HB3 GLN 46 -3.013 4.474 -7.054 308 HG2 GLN 46 HG2 GLN 46 -5.308 4.514 -6.634 309 HG3 GLN 46 HG3 GLN 46 -5.233 3.090 -5.597 310 HE21 GLN 46 HE21 GLN 46 -6.247 5.863 -5.172 311 HE22 GLN 46 HE22 GLN 46 -5.464 6.403 -3.730 312 H ALA 47 H ALA 47 -1.338 1.782 -6.167 313 HA ALA 47 HA ALA 47 0.677 2.412 -7.959 314 HB1 ALA 47 HB1 ALA 47 0.502 0.501 -5.669 315 HB2 ALA 47 HB2 ALA 47 1.953 0.548 -6.671 316 HB3 ALA 47 HB3 ALA 47 1.425 1.997 -5.816 317 H ALA 48 H ALA 48 -0.934 -0.724 -7.478 318 HA ALA 48 HA ALA 48 0.480 -2.248 -9.296 319 HB1 ALA 48 HB1 ALA 48 -1.236 -3.103 -7.722 320 HB2 ALA 48 HB2 ALA 48 -2.484 -2.453 -8.786 321 HB3 ALA 48 HB3 ALA 48 -1.413 -3.730 -9.361 322 H CYS 49 H CYS 49 -2.580 -0.521 -9.933 323 HA CYS 49 HA CYS 49 -2.615 -1.018 -12.698 324 HB2 CYS 49 HB2 CYS 49 -4.590 -0.286 -11.408 325 HB3 CYS 49 HB3 CYS 49 -3.851 1.298 -11.192 326 H ASN 50 H ASN 50 -1.783 2.012 -11.002 327 HA ASN 50 HA ASN 50 -0.931 3.509 -13.130 328 HB2 ASN 50 HB2 ASN 50 0.287 3.422 -10.360 329 HB3 ASN 50 HB3 ASN 50 0.529 4.716 -11.531 330 HD21 ASN 50 HD21 ASN 50 -0.733 4.592 -8.819 331 HD22 ASN 50 HD22 ASN 50 -2.287 5.316 -9.029 332 H CYS 51 H CYS 51 0.840 0.994 -11.416 333 HA CYS 51 HA CYS 51 3.366 1.425 -12.561 334 HB2 CYS 51 HB2 CYS 51 2.011 -0.841 -11.191 335 HB3 CYS 51 HB3 CYS 51 3.458 -1.213 -12.121 336 H LEU 52 H LEU 52 0.651 -0.603 -13.598 337 HA LEU 52 HA LEU 52 2.035 -1.579 -15.917 338 HB2 LEU 52 HB2 LEU 52 -0.902 -1.672 -15.246 339 HB3 LEU 52 HB3 LEU 52 -0.093 -2.603 -16.505 340 HG LEU 52 HG LEU 52 0.223 -2.910 -13.522 341 HD11 LEU 52 HD11 LEU 52 -1.623 -4.146 -13.922 342 HD12 LEU 52 HD12 LEU 52 -0.436 -5.332 -14.462 343 HD13 LEU 52 HD13 LEU 52 -1.270 -4.321 -15.641 344 HD21 LEU 52 HD21 LEU 52 2.379 -3.179 -14.674 345 HD22 LEU 52 HD22 LEU 52 1.649 -4.385 -15.734 346 HD23 LEU 52 HD23 LEU 52 1.786 -4.699 -14.004 347 H LYS 53 H LYS 53 -0.100 1.071 -15.176 348 HA LYS 53 HA LYS 53 -0.930 1.709 -17.790 349 HB2 LYS 53 HB2 LYS 53 -0.529 3.566 -15.437 350 HB3 LYS 53 HB3 LYS 53 -1.473 3.919 -16.879 351 HG2 LYS 53 HG2 LYS 53 -2.508 1.522 -15.907 352 HG3 LYS 53 HG3 LYS 53 -2.236 2.526 -14.480 353 HD2 LYS 53 HD2 LYS 53 -4.253 3.385 -14.994 354 HD3 LYS 53 HD3 LYS 53 -3.345 4.329 -16.178 355 HE2 LYS 53 HE2 LYS 53 -4.860 3.463 -17.610 356 HE3 LYS 53 HE3 LYS 53 -3.760 2.085 -17.598 357 HZ1 LYS 53 HZ1 LYS 53 -6.018 2.299 -15.699 358 HZ2 LYS 53 HZ2 LYS 53 -5.128 0.924 -16.119 359 HZ3 LYS 53 HZ3 LYS 53 -6.203 1.607 -17.232 360 H SER 54 H SER 54 1.894 2.672 -15.900 361 HA SER 54 HA SER 54 2.869 4.522 -17.847 362 HB2 SER 54 HB2 SER 54 3.408 4.258 -15.263 363 HB3 SER 54 HB3 SER 54 4.709 3.236 -15.875 364 HG SER 54 HG SER 54 4.968 5.231 -17.365 365 H ALA 55 H ALA 55 3.669 1.177 -16.983 366 HA ALA 55 HA ALA 55 5.760 0.882 -18.872 367 HB1 ALA 55 HB1 ALA 55 4.097 -1.044 -17.293 368 HB2 ALA 55 HB2 ALA 55 5.240 -1.616 -18.509 369 HB3 ALA 55 HB3 ALA 55 5.812 -0.665 -17.138 370 H ALA 56 H ALA 56 2.389 1.026 -19.221 371 HA ALA 56 HA ALA 56 2.247 -0.613 -21.600 372 HB1 ALA 56 HB1 ALA 56 -0.089 0.823 -21.526 373 HB2 ALA 56 HB2 ALA 56 0.173 -0.756 -20.783 374 HB3 ALA 56 HB3 ALA 56 0.353 0.712 -19.822 375 H GLY 57 H GLY 57 2.593 2.768 -20.784 376 HA2 GLY 57 HA2 GLY 57 1.873 3.906 -23.251 377 HA3 GLY 57 HA3 GLY 57 2.962 4.628 -22.076 378 H SER 58 H SER 58 4.718 2.180 -22.293 379 HA SER 58 HA SER 58 6.262 3.154 -24.558 380 HB2 SER 58 HB2 SER 58 6.909 1.190 -22.351 381 HB3 SER 58 HB3 SER 58 8.024 1.601 -23.654 382 HG SER 58 HG SER 58 7.997 2.826 -21.488 383 H ILE 59 H ILE 59 3.834 1.042 -24.271 384 HA ILE 59 HA ILE 59 4.987 -0.945 -26.105 385 HB ILE 59 HB ILE 59 2.296 -1.208 -24.800 386 HG12 ILE 59 HG12 ILE 59 4.968 -2.013 -23.628 387 HG13 ILE 59 HG13 ILE 59 3.887 -0.777 -22.992 388 HG21 ILE 59 HG21 ILE 59 3.821 -2.759 -26.595 389 HG22 ILE 59 HG22 ILE 59 3.789 -3.625 -25.060 390 HG23 ILE 59 HG23 ILE 59 2.278 -3.165 -25.844 391 HD11 ILE 59 HD11 ILE 59 3.827 -3.671 -22.670 392 HD12 ILE 59 HD12 ILE 59 3.135 -2.398 -21.665 393 HD13 ILE 59 HD13 ILE 59 2.264 -2.969 -23.087 394 H THR 60 H THR 60 4.496 -0.833 -28.186 395 HA THR 60 HA THR 60 2.350 0.944 -29.055 396 HB THR 60 HB THR 60 4.688 1.018 -30.062 397 HG1 THR 60 HG1 THR 60 3.810 1.672 -31.960 398 HG21 THR 60 HG21 THR 60 4.729 -1.550 -30.261 399 HG22 THR 60 HG22 THR 60 5.375 -0.605 -31.602 400 HG23 THR 60 HG23 THR 60 3.763 -1.311 -31.717 401 H LYS 61 H LYS 61 3.191 -2.435 -28.966 402 HA LYS 61 HA LYS 61 1.040 -3.204 -30.752 403 HB2 LYS 61 HB2 LYS 61 3.224 -4.635 -29.301 404 HB3 LYS 61 HB3 LYS 61 1.818 -5.555 -29.821 405 HG2 LYS 61 HG2 LYS 61 2.989 -3.815 -31.875 406 HG3 LYS 61 HG3 LYS 61 4.021 -5.138 -31.328 407 HD2 LYS 61 HD2 LYS 61 2.891 -6.275 -32.929 408 HD3 LYS 61 HD3 LYS 61 1.717 -6.475 -31.626 409 HE2 LYS 61 HE2 LYS 61 0.557 -5.773 -33.608 410 HE3 LYS 61 HE3 LYS 61 0.544 -4.447 -32.447 411 HZ1 LYS 61 HZ1 LYS 61 1.122 -3.976 -34.901 412 HZ2 LYS 61 HZ2 LYS 61 2.650 -4.580 -34.500 413 HZ3 LYS 61 HZ3 LYS 61 2.034 -3.230 -33.687 414 H LEU 62 H LEU 62 1.009 -2.079 -27.744 415 HA LEU 62 HA LEU 62 -0.384 -3.934 -26.191 416 HB2 LEU 62 HB2 LEU 62 0.534 -1.970 -25.191 417 HB3 LEU 62 HB3 LEU 62 -0.450 -0.925 -26.213 418 HG LEU 62 HG LEU 62 -2.463 -1.971 -25.013 419 HD11 LEU 62 HD11 LEU 62 -1.447 -2.461 -22.544 420 HD12 LEU 62 HD12 LEU 62 -0.217 -3.190 -23.577 421 HD13 LEU 62 HD13 LEU 62 -1.899 -3.705 -23.710 422 HD21 LEU 62 HD21 LEU 62 -1.150 0.319 -24.643 423 HD22 LEU 62 HD22 LEU 62 -0.874 -0.410 -23.061 424 HD23 LEU 62 HD23 LEU 62 -2.521 -0.163 -23.644 425 H ASN 63 H ASN 63 -2.326 -4.808 -26.419 426 HA ASN 63 HA ASN 63 -4.268 -3.486 -28.184 427 HB2 ASN 63 HB2 ASN 63 -5.377 -5.787 -28.150 428 HB3 ASN 63 HB3 ASN 63 -3.828 -5.671 -28.981 429 HD21 ASN 63 HD21 ASN 63 -3.674 -7.955 -28.697 430 HD22 ASN 63 HD22 ASN 63 -3.142 -8.611 -27.190 431 H THR 64 H THR 64 -5.266 -2.072 -26.792 432 HA THR 64 HA THR 64 -5.995 -2.447 -24.166 433 HB THR 64 HB THR 64 -7.634 -0.705 -24.437 434 HG1 THR 64 HG1 THR 64 -7.988 -0.004 -26.746 435 HG21 THR 64 HG21 THR 64 -5.020 -0.382 -24.987 436 HG22 THR 64 HG22 THR 64 -6.176 0.949 -24.971 437 HG23 THR 64 HG23 THR 64 -5.717 0.198 -26.499 438 H ASN 65 H ASN 65 -7.450 -3.773 -27.028 439 HA ASN 65 HA ASN 65 -9.975 -4.445 -25.965 440 HB2 ASN 65 HB2 ASN 65 -8.358 -5.281 -28.319 441 HB3 ASN 65 HB3 ASN 65 -9.674 -6.344 -27.829 442 HD21 ASN 65 HD21 ASN 65 -11.531 -5.959 -28.773 443 HD22 ASN 65 HD22 ASN 65 -12.067 -4.438 -29.394 444 H ASN 66 H ASN 66 -7.073 -6.469 -26.434 445 HA ASN 66 HA ASN 66 -8.138 -8.679 -24.999 446 HB2 ASN 66 HB2 ASN 66 -5.265 -8.023 -25.692 447 HB3 ASN 66 HB3 ASN 66 -5.845 -9.584 -25.119 448 HD21 ASN 66 HD21 ASN 66 -4.735 -10.159 -27.197 449 HD22 ASN 66 HD22 ASN 66 -5.705 -10.168 -28.626 450 H ALA 67 H ALA 67 -6.578 -5.767 -24.060 451 HA ALA 67 HA ALA 67 -5.523 -6.657 -21.567 452 HB1 ALA 67 HB1 ALA 67 -5.107 -4.461 -23.029 453 HB2 ALA 67 HB2 ALA 67 -6.281 -3.814 -21.882 454 HB3 ALA 67 HB3 ALA 67 -4.780 -4.533 -21.297 455 H ALA 68 H ALA 68 -8.585 -5.252 -22.595 456 HA ALA 68 HA ALA 68 -9.599 -4.919 -19.935 457 HB1 ALA 68 HB1 ALA 68 -10.401 -4.194 -22.570 458 HB2 ALA 68 HB2 ALA 68 -11.738 -5.031 -21.779 459 HB3 ALA 68 HB3 ALA 68 -11.018 -3.609 -21.024 460 H ALA 69 H ALA 69 -9.979 -7.329 -22.496 461 HA ALA 69 HA ALA 69 -11.785 -8.921 -20.877 462 HB1 ALA 69 HB1 ALA 69 -12.075 -8.711 -23.332 463 HB2 ALA 69 HB2 ALA 69 -10.565 -9.595 -23.550 464 HB3 ALA 69 HB3 ALA 69 -11.943 -10.380 -22.779 465 H LEU 70 H LEU 70 -8.508 -8.488 -20.978 466 HA LEU 70 HA LEU 70 -7.399 -11.031 -20.921 467 HB2 LEU 70 HB2 LEU 70 -5.779 -9.439 -20.936 468 HB3 LEU 70 HB3 LEU 70 -6.659 -8.380 -19.836 469 HG LEU 70 HG LEU 70 -5.966 -9.760 -17.943 470 HD11 LEU 70 HD11 LEU 70 -5.526 -11.902 -18.394 471 HD12 LEU 70 HD12 LEU 70 -3.916 -11.337 -18.840 472 HD13 LEU 70 HD13 LEU 70 -5.146 -11.565 -20.083 473 HD21 LEU 70 HD21 LEU 70 -4.371 -8.051 -19.453 474 HD22 LEU 70 HD22 LEU 70 -3.331 -9.424 -19.075 475 HD23 LEU 70 HD23 LEU 70 -4.121 -8.532 -17.774 476 HA PRO 71 HA PRO 71 -8.059 -11.140 -16.137 477 HB2 PRO 71 HB2 PRO 71 -9.651 -9.227 -15.054 478 HB3 PRO 71 HB3 PRO 71 -7.906 -9.027 -15.246 479 HG2 PRO 71 HG2 PRO 71 -10.131 -7.999 -16.965 480 HG3 PRO 71 HG3 PRO 71 -8.658 -7.170 -16.426 481 HD2 PRO 71 HD2 PRO 71 -8.907 -8.236 -18.903 482 HD3 PRO 71 HD3 PRO 71 -7.354 -8.167 -18.044 483 H GLY 72 H GLY 72 -10.699 -10.058 -18.188 484 HA2 GLY 72 HA2 GLY 72 -12.791 -11.292 -16.700 485 HA3 GLY 72 HA3 GLY 72 -12.890 -10.740 -18.366 486 H LYS 73 H LYS 73 -11.014 -12.282 -19.617 487 HA LYS 73 HA LYS 73 -12.390 -14.703 -20.008 488 HB2 LYS 73 HB2 LYS 73 -9.618 -13.826 -20.821 489 HB3 LYS 73 HB3 LYS 73 -10.334 -15.349 -21.331 490 HG2 LYS 73 HG2 LYS 73 -11.787 -12.789 -21.822 491 HG3 LYS 73 HG3 LYS 73 -10.460 -13.274 -22.881 492 HD2 LYS 73 HD2 LYS 73 -11.575 -15.255 -23.529 493 HD3 LYS 73 HD3 LYS 73 -12.761 -15.101 -22.231 494 HE2 LYS 73 HE2 LYS 73 -13.801 -13.247 -23.290 495 HE3 LYS 73 HE3 LYS 73 -12.487 -13.091 -24.454 496 HZ1 LYS 73 HZ1 LYS 73 -14.804 -14.759 -24.550 497 HZ2 LYS 73 HZ2 LYS 73 -13.384 -15.645 -24.790 498 HZ3 LYS 73 HZ3 LYS 73 -13.738 -14.328 -25.790 499 H CYS 74 H CYS 74 -10.104 -13.783 -17.660 500 HA CYS 74 HA CYS 74 -9.114 -16.452 -17.147 501 HB2 CYS 74 HB2 CYS 74 -8.751 -13.821 -15.707 502 HB3 CYS 74 HB3 CYS 74 -8.033 -15.332 -15.157 503 H GLY 75 H GLY 75 -12.011 -15.092 -16.645 504 HA2 GLY 75 HA2 GLY 75 -13.762 -16.122 -15.449 505 HA3 GLY 75 HA3 GLY 75 -12.571 -16.872 -14.396 506 H VAL 76 H VAL 76 -11.176 -14.278 -14.012 507 HA VAL 76 HA VAL 76 -12.806 -13.357 -11.805 508 HB VAL 76 HB VAL 76 -10.361 -13.669 -11.549 509 HG11 VAL 76 HG11 VAL 76 -8.883 -11.875 -12.486 510 HG12 VAL 76 HG12 VAL 76 -9.546 -12.988 -13.684 511 HG13 VAL 76 HG13 VAL 76 -10.238 -11.376 -13.499 512 HG21 VAL 76 HG21 VAL 76 -11.839 -11.967 -10.265 513 HG22 VAL 76 HG22 VAL 76 -10.085 -11.880 -10.102 514 HG23 VAL 76 HG23 VAL 76 -10.928 -10.756 -11.168 515 H ASN 77 H ASN 77 -13.286 -11.102 -11.434 516 HA ASN 77 HA ASN 77 -13.419 -9.466 -13.871 517 HB2 ASN 77 HB2 ASN 77 -15.660 -10.376 -12.138 518 HB3 ASN 77 HB3 ASN 77 -15.724 -8.720 -12.734 519 HD21 ASN 77 HD21 ASN 77 -17.713 -10.011 -13.616 520 HD22 ASN 77 HD22 ASN 77 -17.519 -10.602 -15.228 521 H ILE 78 H ILE 78 -13.537 -7.194 -13.511 522 HA ILE 78 HA ILE 78 -12.670 -6.382 -10.813 523 HB ILE 78 HB ILE 78 -11.931 -4.801 -13.242 524 HG12 ILE 78 HG12 ILE 78 -10.458 -7.228 -12.196 525 HG13 ILE 78 HG13 ILE 78 -11.207 -7.062 -13.780 526 HG21 ILE 78 HG21 ILE 78 -11.596 -3.891 -10.970 527 HG22 ILE 78 HG22 ILE 78 -10.529 -5.247 -10.611 528 HG23 ILE 78 HG23 ILE 78 -10.086 -4.083 -11.860 529 HD11 ILE 78 HD11 ILE 78 -9.217 -6.426 -14.514 530 HD12 ILE 78 HD12 ILE 78 -9.467 -4.919 -13.631 531 HD13 ILE 78 HD13 ILE 78 -8.590 -6.249 -12.876 532 HA PRO 79 HA PRO 79 -16.282 -3.825 -10.822 533 HB2 PRO 79 HB2 PRO 79 -15.650 -2.334 -8.643 534 HB3 PRO 79 HB3 PRO 79 -16.216 -4.005 -8.533 535 HG2 PRO 79 HG2 PRO 79 -13.422 -2.938 -8.399 536 HG3 PRO 79 HG3 PRO 79 -14.192 -4.187 -7.402 537 HD2 PRO 79 HD2 PRO 79 -12.537 -4.782 -9.461 538 HD3 PRO 79 HD3 PRO 79 -13.901 -5.821 -9.001 539 H TYR 80 H TYR 80 -13.122 -2.824 -11.463 540 HA TYR 80 HA TYR 80 -13.917 -0.030 -11.879 541 HB2 TYR 80 HB2 TYR 80 -11.315 -1.408 -11.432 542 HB3 TYR 80 HB3 TYR 80 -11.308 0.047 -12.422 543 HD1 TYR 80 HD1 TYR 80 -11.389 2.176 -11.430 544 HD2 TYR 80 HD2 TYR 80 -12.275 -1.263 -9.086 545 HE1 TYR 80 HE1 TYR 80 -11.376 3.564 -9.399 546 HE2 TYR 80 HE2 TYR 80 -12.266 0.116 -7.049 547 HH TYR 80 HH TYR 80 -12.283 2.238 -6.262 548 H LYS 81 H LYS 81 -14.170 0.799 -13.859 549 HA LYS 81 HA LYS 81 -14.311 -0.876 -16.125 550 HB2 LYS 81 HB2 LYS 81 -14.232 2.142 -15.951 551 HB3 LYS 81 HB3 LYS 81 -14.667 1.227 -17.389 552 HG2 LYS 81 HG2 LYS 81 -16.574 0.263 -16.180 553 HG3 LYS 81 HG3 LYS 81 -16.148 1.231 -14.766 554 HD2 LYS 81 HD2 LYS 81 -16.436 3.276 -16.126 555 HD3 LYS 81 HD3 LYS 81 -16.950 2.272 -17.483 556 HE2 LYS 81 HE2 LYS 81 -18.924 3.072 -16.441 557 HE3 LYS 81 HE3 LYS 81 -18.766 1.376 -15.988 558 HZ1 LYS 81 HZ1 LYS 81 -17.557 3.311 -14.184 559 HZ2 LYS 81 HZ2 LYS 81 -18.407 1.891 -13.837 560 HZ3 LYS 81 HZ3 LYS 81 -19.248 3.303 -14.238 561 H ILE 82 H ILE 82 -12.793 -1.523 -17.501 562 HA ILE 82 HA ILE 82 -10.068 -0.825 -17.153 563 HB ILE 82 HB ILE 82 -11.506 -2.383 -19.288 564 HG12 ILE 82 HG12 ILE 82 -11.187 -3.336 -16.976 565 HG13 ILE 82 HG13 ILE 82 -10.481 -4.293 -18.273 566 HG21 ILE 82 HG21 ILE 82 -8.941 -3.035 -19.727 567 HG22 ILE 82 HG22 ILE 82 -9.789 -1.778 -20.625 568 HG23 ILE 82 HG23 ILE 82 -8.745 -1.343 -19.272 569 HD11 ILE 82 HD11 ILE 82 -9.008 -4.168 -16.343 570 HD12 ILE 82 HD12 ILE 82 -8.283 -3.389 -17.750 571 HD13 ILE 82 HD13 ILE 82 -8.987 -2.409 -16.464 572 H SER 83 H SER 83 -9.319 1.134 -17.639 573 HA SER 83 HA SER 83 -9.666 2.127 -20.353 574 HB2 SER 83 HB2 SER 83 -10.837 3.399 -17.952 575 HB3 SER 83 HB3 SER 83 -9.981 4.483 -19.048 576 HG SER 83 HG SER 83 -11.414 4.076 -20.604 577 H THR 84 H THR 84 -7.657 2.409 -21.036 578 HA THR 84 HA THR 84 -5.422 2.704 -19.330 579 HB THR 84 HB THR 84 -4.142 3.176 -21.403 580 HG1 THR 84 HG1 THR 84 -6.548 2.785 -22.843 581 HG21 THR 84 HG21 THR 84 -4.056 0.953 -21.530 582 HG22 THR 84 HG22 THR 84 -5.508 0.978 -22.531 583 HG23 THR 84 HG23 THR 84 -5.646 0.821 -20.780 584 H THR 85 H THR 85 -7.721 4.936 -20.397 585 HA THR 85 HA THR 85 -5.916 7.225 -20.181 586 HB THR 85 HB THR 85 -7.742 8.584 -20.983 587 HG1 THR 85 HG1 THR 85 -9.776 7.468 -21.484 588 HG21 THR 85 HG21 THR 85 -7.300 7.939 -23.070 589 HG22 THR 85 HG22 THR 85 -8.312 6.507 -22.880 590 HG23 THR 85 HG23 THR 85 -6.609 6.450 -22.427 591 H THR 86 H THR 86 -8.064 5.419 -18.273 592 HA THR 86 HA THR 86 -8.939 7.519 -16.536 593 HB THR 86 HB THR 86 -8.935 4.519 -16.169 594 HG1 THR 86 HG1 THR 86 -11.155 6.234 -16.600 595 HG21 THR 86 HG21 THR 86 -9.124 5.116 -13.980 596 HG22 THR 86 HG22 THR 86 -10.807 5.356 -14.452 597 HG23 THR 86 HG23 THR 86 -9.712 6.735 -14.360 598 H ASN 87 H ASN 87 -8.184 8.083 -14.516 599 HA ASN 87 HA ASN 87 -5.391 7.453 -14.017 600 HB2 ASN 87 HB2 ASN 87 -6.630 9.794 -13.863 601 HB3 ASN 87 HB3 ASN 87 -6.962 9.248 -12.222 602 HD21 ASN 87 HD21 ASN 87 -5.673 10.719 -11.211 603 HD22 ASN 87 HD22 ASN 87 -3.949 10.717 -11.332 604 H CYS 88 H CYS 88 -5.080 5.567 -13.000 605 HA CYS 88 HA CYS 88 -6.926 4.501 -11.090 606 HB2 CYS 88 HB2 CYS 88 -4.144 3.667 -11.922 607 HB3 CYS 88 HB3 CYS 88 -5.108 2.780 -10.745 608 H ASN 89 H ASN 89 -4.803 6.978 -10.847 609 HA ASN 89 HA ASN 89 -3.700 6.391 -8.246 610 HB2 ASN 89 HB2 ASN 89 -3.764 9.096 -9.579 611 HB3 ASN 89 HB3 ASN 89 -2.607 8.490 -8.397 612 HD21 ASN 89 HD21 ASN 89 -0.738 7.830 -9.160 613 HD22 ASN 89 HD22 ASN 89 -0.419 7.331 -10.783 614 H THR 90 H THR 90 -6.539 7.880 -9.519 615 HA THR 90 HA THR 90 -7.208 9.001 -6.885 616 HB THR 90 HB THR 90 -8.963 10.278 -8.023 617 HG1 THR 90 HG1 THR 90 -8.978 10.201 -10.363 618 HG21 THR 90 HG21 THR 90 -7.367 11.817 -8.248 619 HG22 THR 90 HG22 THR 90 -7.027 11.178 -9.856 620 HG23 THR 90 HG23 THR 90 -6.141 10.568 -8.459 621 H VAL 91 H VAL 91 -7.328 6.218 -7.194 622 HA VAL 91 HA VAL 91 -10.214 5.671 -7.370 623 HB VAL 91 HB VAL 91 -9.694 3.361 -7.710 624 HG11 VAL 91 HG11 VAL 91 -9.583 4.631 -9.722 625 HG12 VAL 91 HG12 VAL 91 -7.945 5.179 -9.357 626 HG13 VAL 91 HG13 VAL 91 -8.243 3.485 -9.752 627 HG21 VAL 91 HG21 VAL 91 -7.235 4.059 -6.411 628 HG22 VAL 91 HG22 VAL 91 -7.913 2.463 -6.730 629 HG23 VAL 91 HG23 VAL 91 -6.897 3.247 -7.939 630 H LYS 92 H LYS 92 -10.838 3.744 -5.870 631 HA LYS 92 HA LYS 92 -9.504 3.832 -3.286 632 HB2 LYS 92 HB2 LYS 92 -10.957 5.590 -2.824 633 HB3 LYS 92 HB3 LYS 92 -12.248 4.916 -3.810 634 HG2 LYS 92 HG2 LYS 92 -12.814 3.327 -2.164 635 HG3 LYS 92 HG3 LYS 92 -11.329 3.627 -1.258 636 HD2 LYS 92 HD2 LYS 92 -12.087 5.700 -0.480 637 HD3 LYS 92 HD3 LYS 92 -13.350 5.800 -1.709 638 HE2 LYS 92 HE2 LYS 92 -14.672 4.179 -0.625 639 HE3 LYS 92 HE3 LYS 92 -13.337 3.663 0.405 640 HZ1 LYS 92 HZ1 LYS 92 -13.798 5.239 1.886 641 HZ2 LYS 92 HZ2 LYS 92 -15.276 5.440 1.088 642 HZ3 LYS 92 HZ3 LYS 92 -13.967 6.442 0.708 643 H PHE 93 H PHE 93 -9.582 1.915 -2.274 644 HA PHE 93 HA PHE 93 -10.411 -0.401 -3.519 645 HB2 PHE 93 HB2 PHE 93 -9.852 -1.534 -1.557 646 HB3 PHE 93 HB3 PHE 93 -8.899 -0.058 -1.437 647 HD1 PHE 93 HD1 PHE 93 -10.619 1.939 -0.426 648 HD2 PHE 93 HD2 PHE 93 -10.566 -2.214 0.507 649 HE1 PHE 93 HE1 PHE 93 -11.640 2.420 1.761 650 HE2 PHE 93 HE2 PHE 93 -11.588 -1.739 2.695 651 HZ PHE 93 HZ PHE 93 -12.127 0.580 3.324 652 HC11 PGM 101 H11 PPG 103 8.382 -9.727 -20.260 653 HC12 PGM 101 H12 PPG 103 8.434 -9.544 -21.887 654 HO1 PGM 101 H1 PPG 103 9.451 -11.684 -20.388 655 HC2 PGM 101 H2A PPG 103 10.961 -9.602 -20.430 656 HO2 PGM 101 H2 PPG 103 10.562 -9.709 -22.847 657 HC31 PGM 101 H31 PPG 103 9.117 -7.366 -20.904 658 HC32 PGM 101 H32 PPG 103 10.702 -7.104 -20.571 659 HC71 PGM 101 H91 PPG 103 7.085 -7.153 -17.003 660 HC72 PGM 101 H92 PPG 103 7.509 -8.132 -18.230 661 HC8 PGM 101 H10A PPG 103 5.186 -8.372 -17.785 662 HO8 PGM 101 H10 PPG 103 4.439 -7.461 -19.991 663 HC91 PGM 101 H111 PPG 103 5.249 -5.488 -18.281 664 HC92 PGM 101 H112 PPG 103 4.566 -6.215 -16.994 665 HCB1 PGM 101 H151 PPG 103 1.329 -5.965 -20.003 666 HCB2 PGM 101 H152 PPG 103 1.968 -4.965 -21.122 667 HCC1 PGM 101 H161 PPG 103 1.309 -3.074 -19.938 668 HCC2 PGM 101 H162 PPG 103 1.035 -3.936 -18.582 669 HCD1 PGM 101 H171 PPG 103 -0.615 -5.206 -20.003 670 HCD2 PGM 101 H172 PPG 103 -0.545 -3.902 -20.972 671 HCE1 PGM 101 H181 PPG 103 -1.201 -3.603 -18.203 672 HCE2 PGM 101 H182 PPG 103 -2.365 -3.972 -19.279 673 HCF1 PGM 101 H191 PPG 103 -1.805 -1.950 -20.451 674 HCF2 PGM 101 H192 PPG 103 -0.817 -1.574 -19.212 675 HCG1 PGM 101 H201 PPG 103 -2.976 -0.435 -19.221 676 HCG2 PGM 101 H202 PPG 103 -2.549 -1.133 -17.815 677 HCH1 PGM 101 H211 PPG 103 -3.956 -3.050 -18.490 678 HCH2 PGM 101 H212 PPG 103 -4.551 -2.073 -19.658 679 HCI1 PGM 101 H221 PPG 103 -5.549 -0.685 -18.175 680 HCI2 PGM 101 H222 PPG 103 -4.433 -0.983 -17.015 681 HCJ1 PGM 101 H231 PPG 103 -6.325 -3.001 -17.757 682 HCJ2 PGM 101 H232 PPG 103 -6.720 -1.876 -16.636 683 HCK1 PGM 101 H241 PPG 103 -4.314 -3.312 -16.176 684 HCK2 PGM 101 H242 PPG 103 -5.702 -4.138 -15.939 685 HCL1 PGM 101 H251 PPG 103 -6.310 -2.850 -14.165 686 HCL2 PGM 101 H252 PPG 103 -5.506 -1.538 -14.721 687 HCM1 PGM 101 H261 PPG 103 -3.487 -2.309 -13.943 688 HCM2 PGM 101 H262 PPG 103 -3.927 -3.872 -14.084 689 HCN1 PGM 101 H271 PPG 103 -5.424 -2.280 -12.245 690 HCN2 PGM 101 H272 PPG 103 -3.942 -2.743 -11.754 691 HCO1 PGM 101 H281 PPG 103 -5.932 -4.567 -12.774 692 HCO2 PGM 101 H282 PPG 103 -5.660 -4.351 -11.173 693 HCP1 PGM 101 H291 PPG 103 -4.756 -6.396 -11.882 694 HCP2 PGM 101 H292 PPG 103 -3.833 -5.619 -12.981 695 HCP3 PGM 101 H293 PPG 103 -3.555 -5.398 -11.392
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