NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
14845 | 1x5g | 11121 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 5.891 -2.636 14.239 2 HA2 GLY 1 1HA GLY 1 5.491 -2.934 11.338 3 HA3 GLY 1 2HA GLY 1 6.505 -1.632 11.943 4 H SER 2 H SER 2 6.167 -5.133 11.734 5 HA SER 2 HA SER 2 8.962 -5.476 12.524 6 HB2 SER 2 1HB SER 2 6.667 -7.395 12.155 7 HB3 SER 2 2HB SER 2 8.329 -7.959 12.324 8 HG SER 2 HG SER 2 8.376 -7.277 14.369 9 H SER 3 H SER 3 10.158 -4.838 10.780 10 HA SER 3 HA SER 3 9.535 -5.929 8.147 11 HB2 SER 3 1HB SER 3 10.169 -3.506 8.473 12 HB3 SER 3 2HB SER 3 11.792 -4.057 8.888 13 HG SER 3 HG SER 3 10.424 -4.304 6.426 14 H GLY 4 H GLY 4 10.931 -7.238 6.966 15 HA2 GLY 4 1HA GLY 4 13.510 -7.996 7.557 16 HA3 GLY 4 2HA GLY 4 12.494 -9.062 8.517 17 H SER 5 H SER 5 10.350 -9.344 6.708 18 HA SER 5 HA SER 5 10.859 -11.564 5.321 19 HB2 SER 5 1HB SER 5 8.678 -10.160 5.445 20 HB3 SER 5 2HB SER 5 9.242 -9.438 3.938 21 HG SER 5 HG SER 5 8.866 -11.258 2.910 22 H SER 6 H SER 6 12.560 -12.051 4.101 23 HA SER 6 HA SER 6 13.337 -10.161 1.976 24 HB2 SER 6 1HB SER 6 15.611 -10.700 2.273 25 HB3 SER 6 2HB SER 6 14.990 -10.554 3.917 26 HG SER 6 HG SER 6 16.293 -12.453 3.527 27 H GLY 7 H GLY 7 14.678 -11.387 0.227 28 HA2 GLY 7 1HA GLY 7 13.240 -13.895 -0.396 29 HA3 GLY 7 2HA GLY 7 13.625 -12.685 -1.611 30 H ARG 8 H ARG 8 14.374 -15.610 -1.152 31 HA ARG 8 HA ARG 8 17.269 -15.447 -0.933 32 HB2 ARG 8 1HB ARG 8 15.879 -17.302 0.097 33 HB3 ARG 8 2HB ARG 8 15.610 -17.893 -1.537 34 HG2 ARG 8 1HG ARG 8 18.245 -17.788 -1.634 35 HG3 ARG 8 2HG ARG 8 18.072 -17.933 0.117 36 HD2 ARG 8 1HD ARG 8 16.447 -19.880 -0.490 37 HD3 ARG 8 2HD ARG 8 17.296 -19.855 -2.035 38 HE ARG 8 HE ARG 8 19.046 -20.889 -1.009 39 HH11 ARG 8 2HH1 ARG 8 17.143 -19.276 1.419 40 HH12 ARG 8 1HH1 ARG 8 18.076 -19.889 2.744 41 HH21 ARG 8 2HH2 ARG 8 20.283 -21.702 0.727 42 HH22 ARG 8 1HH2 ARG 8 19.863 -21.267 2.349 43 H VAL 9 H VAL 9 17.430 -14.092 -2.882 44 HA VAL 9 HA VAL 9 17.522 -15.767 -5.302 45 HB VAL 9 HB VAL 9 16.964 -13.755 -6.649 46 HG11 VAL 9 1HG1 VAL 9 15.016 -14.844 -6.627 47 HG12 VAL 9 2HG1 VAL 9 15.166 -15.243 -4.914 48 HG13 VAL 9 3HG1 VAL 9 14.505 -13.682 -5.403 49 HG21 VAL 9 1HG2 VAL 9 16.831 -12.550 -3.942 50 HG22 VAL 9 2HG2 VAL 9 17.364 -11.849 -5.470 51 HG23 VAL 9 3HG2 VAL 9 15.642 -12.017 -5.131 52 H GLU 10 H GLU 10 19.528 -15.950 -6.029 53 HA GLU 10 HA GLU 10 21.590 -14.130 -5.129 54 HB2 GLU 10 1HB GLU 10 21.870 -16.641 -5.304 55 HB3 GLU 10 2HB GLU 10 21.888 -16.438 -7.050 56 HG2 GLU 10 1HG GLU 10 23.790 -14.725 -6.539 57 HG3 GLU 10 2HG GLU 10 23.914 -15.621 -5.027 58 H THR 11 H THR 11 19.649 -12.919 -6.788 59 HA THR 11 HA THR 11 21.387 -11.990 -8.945 60 HB THR 11 HB THR 11 19.608 -12.063 -10.612 61 HG1 THR 11 1HG THR 11 18.006 -12.284 -8.600 62 HG21 THR 11 1HG2 THR 11 19.336 -14.629 -10.695 63 HG22 THR 11 2HG2 THR 11 20.355 -14.634 -9.256 64 HG23 THR 11 3HG2 THR 11 20.965 -13.957 -10.766 65 H GLN 12 H GLN 12 20.072 -10.116 -10.143 66 HA GLN 12 HA GLN 12 18.673 -8.501 -8.131 67 HB2 GLN 12 1HB GLN 12 20.884 -7.456 -9.907 68 HB3 GLN 12 2HB GLN 12 19.969 -6.530 -8.725 69 HG2 GLN 12 1HG GLN 12 21.090 -7.414 -6.951 70 HG3 GLN 12 2HG GLN 12 21.438 -8.929 -7.783 71 HE21 GLN 12 1HE2 GLN 12 23.481 -9.214 -8.270 72 HE22 GLN 12 2HE2 GLN 12 24.640 -7.975 -8.595 73 HA PRO 13 HA PRO 13 15.841 -7.710 -11.402 74 HB2 PRO 13 1HB PRO 13 14.733 -5.410 -10.479 75 HB3 PRO 13 2HB PRO 13 14.389 -6.993 -9.773 76 HG2 PRO 13 1HG PRO 13 16.281 -4.871 -8.835 77 HG3 PRO 13 2HG PRO 13 15.160 -5.868 -7.890 78 HD2 PRO 13 1HD PRO 13 17.808 -6.408 -8.050 79 HD3 PRO 13 2HD PRO 13 16.582 -7.681 -7.878 80 H GLU 14 H GLU 14 14.988 -5.308 -12.363 81 HA GLU 14 HA GLU 14 16.868 -4.613 -14.261 82 HB2 GLU 14 1HB GLU 14 14.383 -3.345 -13.229 83 HB3 GLU 14 2HB GLU 14 15.443 -2.353 -14.220 84 HG2 GLU 14 1HG GLU 14 15.122 -3.643 -16.100 85 HG3 GLU 14 2HG GLU 14 14.647 -5.064 -15.171 86 H VAL 15 H VAL 15 17.403 -2.049 -14.470 87 HA VAL 15 HA VAL 15 18.912 -1.365 -12.030 88 HB VAL 15 HB VAL 15 19.730 -0.741 -14.869 89 HG11 VAL 15 1HG1 VAL 15 20.605 0.891 -13.368 90 HG12 VAL 15 2HG1 VAL 15 21.088 -0.348 -12.209 91 HG13 VAL 15 3HG1 VAL 15 21.917 -0.220 -13.761 92 HG21 VAL 15 1HG2 VAL 15 19.806 -3.163 -14.358 93 HG22 VAL 15 2HG2 VAL 15 21.400 -2.469 -14.653 94 HG23 VAL 15 3HG2 VAL 15 20.880 -2.813 -13.003 95 H GLN 16 H GLN 16 16.466 -0.425 -14.105 96 HA GLN 16 HA GLN 16 16.653 2.353 -13.152 97 HB2 GLN 16 1HB GLN 16 15.873 1.379 -15.898 98 HB3 GLN 16 2HB GLN 16 15.506 2.999 -15.319 99 HG2 GLN 16 1HG GLN 16 18.013 3.209 -14.871 100 HG3 GLN 16 2HG GLN 16 18.180 1.772 -15.880 101 HE21 GLN 16 1HE2 GLN 16 17.122 1.916 -18.040 102 HE22 GLN 16 2HE2 GLN 16 17.226 3.422 -18.879 103 H LEU 17 H LEU 17 15.288 1.467 -11.421 104 HA LEU 17 HA LEU 17 12.468 1.307 -12.261 105 HB2 LEU 17 1HB LEU 17 14.032 -0.313 -10.335 106 HB3 LEU 17 2HB LEU 17 12.373 0.083 -9.892 107 HG LEU 17 HG LEU 17 11.474 -1.251 -11.526 108 HD11 LEU 17 1HD1 LEU 17 12.893 -2.031 -13.508 109 HD12 LEU 17 2HD1 LEU 17 14.011 -0.749 -13.042 110 HD13 LEU 17 3HD1 LEU 17 12.353 -0.352 -13.491 111 HD21 LEU 17 1HD2 LEU 17 12.430 -3.355 -11.317 112 HD22 LEU 17 2HD2 LEU 17 13.042 -2.502 -9.900 113 HD23 LEU 17 3HD2 LEU 17 14.075 -2.719 -11.314 114 HA PRO 18 HA PRO 18 11.528 4.675 -9.612 115 HB2 PRO 18 1HB PRO 18 9.115 3.958 -8.596 116 HB3 PRO 18 2HB PRO 18 9.338 4.460 -10.275 117 HG2 PRO 18 1HG PRO 18 9.127 1.700 -9.137 118 HG3 PRO 18 2HG PRO 18 8.385 2.365 -10.603 119 HD2 PRO 18 1HD PRO 18 10.609 0.823 -10.668 120 HD3 PRO 18 2HD PRO 18 10.313 2.121 -11.842 121 H GLY 19 H GLY 19 11.208 5.354 -7.396 122 HA2 GLY 19 1HA GLY 19 12.303 3.386 -5.508 123 HA3 GLY 19 2HA GLY 19 12.364 5.132 -5.319 124 HA PRO 20 HA PRO 20 8.851 3.241 -2.808 125 HB2 PRO 20 1HB PRO 20 9.801 3.938 -0.362 126 HB3 PRO 20 2HB PRO 20 10.201 2.405 -1.147 127 HG2 PRO 20 1HG PRO 20 11.802 4.930 -0.997 128 HG3 PRO 20 2HG PRO 20 12.339 3.252 -0.799 129 HD2 PRO 20 1HD PRO 20 12.695 4.633 -3.100 130 HD3 PRO 20 2HD PRO 20 12.425 2.879 -3.072 131 H ALA 21 H ALA 21 7.123 4.506 -2.551 132 HA ALA 21 HA ALA 21 7.273 7.326 -2.799 133 HB1 ALA 21 1HB ALA 21 5.038 5.427 -2.167 134 HB2 ALA 21 2HB ALA 21 4.797 7.174 -2.177 135 HB3 ALA 21 3HB ALA 21 5.323 6.348 -3.643 136 HA PRO 22 HA PRO 22 8.185 8.059 1.528 137 HB2 PRO 22 1HB PRO 22 8.494 10.743 1.258 138 HB3 PRO 22 2HB PRO 22 9.744 9.581 0.799 139 HG2 PRO 22 1HG PRO 22 7.748 10.997 -0.926 140 HG3 PRO 22 2HG PRO 22 9.472 10.704 -1.219 141 HD2 PRO 22 1HD PRO 22 7.525 9.201 -2.353 142 HD3 PRO 22 2HD PRO 22 9.113 8.537 -1.919 143 H ASN 23 H ASN 23 7.384 9.964 3.040 144 HA ASN 23 HA ASN 23 5.561 10.570 4.293 145 HB2 ASN 23 1HB ASN 23 4.684 11.665 1.612 146 HB3 ASN 23 2HB ASN 23 4.149 12.226 3.193 147 HD21 ASN 23 1HD2 ASN 23 6.257 12.578 4.664 148 HD22 ASN 23 2HD2 ASN 23 7.400 13.655 3.945 149 H LEU 24 H LEU 24 5.253 7.971 3.806 150 HA LEU 24 HA LEU 24 2.648 7.493 2.602 151 HB2 LEU 24 1HB LEU 24 4.398 5.902 2.133 152 HB3 LEU 24 2HB LEU 24 4.669 5.641 3.855 153 HG LEU 24 HG LEU 24 2.335 4.699 3.968 154 HD11 LEU 24 1HD1 LEU 24 1.117 5.294 2.155 155 HD12 LEU 24 2HD1 LEU 24 1.769 3.781 1.526 156 HD13 LEU 24 3HD1 LEU 24 2.516 5.315 1.081 157 HD21 LEU 24 1HD2 LEU 24 4.613 3.465 2.495 158 HD22 LEU 24 2HD2 LEU 24 3.085 2.590 2.598 159 HD23 LEU 24 3HD2 LEU 24 3.936 3.058 4.072 160 H ARG 25 H ARG 25 1.018 8.175 3.870 161 HA ARG 25 HA ARG 25 1.008 7.277 6.677 162 HB2 ARG 25 1HB ARG 25 -0.698 9.537 5.691 163 HB3 ARG 25 2HB ARG 25 -0.122 9.210 7.320 164 HG2 ARG 25 1HG ARG 25 1.825 9.886 5.161 165 HG3 ARG 25 2HG ARG 25 0.898 11.161 5.954 166 HD2 ARG 25 1HD ARG 25 2.325 9.131 7.613 167 HD3 ARG 25 2HD ARG 25 3.241 10.446 6.877 168 HE ARG 25 HE ARG 25 1.541 10.622 9.142 169 HH11 ARG 25 2HH1 ARG 25 2.577 12.381 6.321 170 HH12 ARG 25 1HH1 ARG 25 2.289 13.937 7.026 171 HH21 ARG 25 2HH2 ARG 25 1.159 12.666 10.081 172 HH22 ARG 25 1HH2 ARG 25 1.484 14.098 9.164 173 H ALA 26 H ALA 26 -1.067 6.682 7.573 174 HA ALA 26 HA ALA 26 -3.237 6.141 5.725 175 HB1 ALA 26 1HB ALA 26 -2.229 4.129 5.274 176 HB2 ALA 26 2HB ALA 26 -1.513 4.002 6.881 177 HB3 ALA 26 3HB ALA 26 -3.235 3.695 6.656 178 H TYR 27 H TYR 27 -5.116 6.477 6.717 179 HA TYR 27 HA TYR 27 -5.360 5.939 9.582 180 HB2 TYR 27 1HB TYR 27 -6.536 8.141 9.879 181 HB3 TYR 27 2HB TYR 27 -4.808 8.270 9.570 182 HD1 TYR 27 2HD TYR 27 -4.010 8.995 7.326 183 HD2 TYR 27 1HD TYR 27 -8.132 9.071 8.376 184 HE1 TYR 27 2HE TYR 27 -4.455 10.512 5.442 185 HE2 TYR 27 1HE TYR 27 -8.589 10.587 6.494 186 HH TYR 27 HH TYR 27 -6.152 12.195 4.795 187 H ALA 28 H ALA 28 -7.373 5.295 10.222 188 HA ALA 28 HA ALA 28 -9.183 4.458 8.153 189 HB1 ALA 28 1HB ALA 28 -10.069 4.280 10.957 190 HB2 ALA 28 2HB ALA 28 -10.043 3.052 9.690 191 HB3 ALA 28 3HB ALA 28 -8.566 3.441 10.572 192 H ALA 29 H ALA 29 -10.275 6.091 7.195 193 HA ALA 29 HA ALA 29 -11.263 8.371 8.584 194 HB1 ALA 29 1HB ALA 29 -10.682 8.120 6.086 195 HB2 ALA 29 2HB ALA 29 -12.313 7.468 5.928 196 HB3 ALA 29 3HB ALA 29 -12.074 9.107 6.533 197 H SER 30 H SER 30 -12.462 5.193 8.066 198 HA SER 30 HA SER 30 -14.810 5.769 9.640 199 HB2 SER 30 1HB SER 30 -14.964 5.252 6.710 200 HB3 SER 30 2HB SER 30 -16.176 4.488 7.738 201 HG SER 30 HG SER 30 -17.034 6.383 8.156 202 HA PRO 31 HA PRO 31 -14.305 1.617 10.961 203 HB2 PRO 31 1HB PRO 31 -16.865 0.818 11.388 204 HB3 PRO 31 2HB PRO 31 -16.032 1.974 12.435 205 HG2 PRO 31 1HG PRO 31 -17.985 2.486 10.225 206 HG3 PRO 31 2HG PRO 31 -17.885 3.240 11.827 207 HD2 PRO 31 1HD PRO 31 -16.941 4.440 9.590 208 HD3 PRO 31 2HD PRO 31 -16.198 4.673 11.185 209 H THR 32 H THR 32 -15.720 2.320 8.008 210 HA THR 32 HA THR 32 -15.627 -0.516 7.226 211 HB THR 32 HB THR 32 -17.503 -0.179 5.692 212 HG1 THR 32 1HG THR 32 -17.971 2.334 6.919 213 HG21 THR 32 1HG2 THR 32 -17.683 -0.092 8.568 214 HG22 THR 32 2HG2 THR 32 -18.696 -0.953 7.410 215 HG23 THR 32 3HG2 THR 32 -19.066 0.718 7.834 216 H SER 33 H SER 33 -14.237 2.397 6.875 217 HA SER 33 HA SER 33 -13.222 1.718 4.217 218 HB2 SER 33 1HB SER 33 -15.120 3.573 4.290 219 HB3 SER 33 2HB SER 33 -13.768 4.604 4.756 220 HG SER 33 HG SER 33 -12.929 3.170 2.729 221 H ILE 34 H ILE 34 -11.284 3.136 3.670 222 HA ILE 34 HA ILE 34 -9.842 4.159 5.976 223 HB ILE 34 HB ILE 34 -8.862 1.792 4.385 224 HG12 ILE 34 1HG1 ILE 34 -9.137 2.175 7.371 225 HG13 ILE 34 2HG1 ILE 34 -10.353 1.393 6.366 226 HG21 ILE 34 1HG2 ILE 34 -6.792 2.561 4.614 227 HG22 ILE 34 2HG2 ILE 34 -7.361 3.949 5.541 228 HG23 ILE 34 3HG2 ILE 34 -6.987 2.433 6.362 229 HD11 ILE 34 1HD1 ILE 34 -7.537 0.402 6.368 230 HD12 ILE 34 2HD1 ILE 34 -8.654 -0.053 7.655 231 HD13 ILE 34 3HD1 ILE 34 -9.028 -0.456 5.980 232 H THR 35 H THR 35 -8.519 5.800 5.448 233 HA THR 35 HA THR 35 -8.201 6.400 2.588 234 HB THR 35 HB THR 35 -8.096 8.209 5.005 235 HG1 THR 35 1HG THR 35 -9.955 7.646 2.992 236 HG21 THR 35 1HG2 THR 35 -8.069 9.910 2.921 237 HG22 THR 35 2HG2 THR 35 -7.117 8.590 2.241 238 HG23 THR 35 3HG2 THR 35 -6.607 9.363 3.742 239 H VAL 36 H VAL 36 -6.244 6.428 1.669 240 HA VAL 36 HA VAL 36 -3.881 6.353 3.430 241 HB VAL 36 HB VAL 36 -4.060 4.943 0.771 242 HG11 VAL 36 1HG1 VAL 36 -2.151 4.495 3.056 243 HG12 VAL 36 2HG1 VAL 36 -2.037 3.874 1.407 244 HG13 VAL 36 3HG1 VAL 36 -1.821 5.597 1.720 245 HG21 VAL 36 1HG2 VAL 36 -5.168 3.252 1.689 246 HG22 VAL 36 2HG2 VAL 36 -3.978 3.133 2.985 247 HG23 VAL 36 3HG2 VAL 36 -5.364 4.209 3.158 248 H THR 37 H THR 37 -2.405 7.872 3.059 249 HA THR 37 HA THR 37 -2.439 9.254 0.455 250 HB THR 37 HB THR 37 -1.880 11.339 1.546 251 HG1 THR 37 1HG THR 37 -0.744 10.291 3.346 252 HG21 THR 37 1HG2 THR 37 -4.005 11.832 2.130 253 HG22 THR 37 2HG2 THR 37 -4.086 10.536 3.324 254 HG23 THR 37 3HG2 THR 37 -4.331 10.178 1.615 255 H TRP 38 H TRP 38 -0.549 9.397 -0.588 256 HA TRP 38 HA TRP 38 1.944 9.028 0.907 257 HB2 TRP 38 1HB TRP 38 2.783 7.437 -0.769 258 HB3 TRP 38 2HB TRP 38 1.348 6.816 0.041 259 HD1 TRP 38 HD TRP 38 2.519 8.166 -3.352 260 HE1 TRP 38 1HE TRP 38 0.807 7.471 -5.143 261 HE3 TRP 38 3HE TRP 38 -1.078 6.182 -0.309 262 HZ2 TRP 38 2HZ TRP 38 -1.734 6.246 -5.252 263 HZ3 TRP 38 3HZ TRP 38 -3.120 5.270 -1.336 264 HH2 TRP 38 HH TRP 38 -3.439 5.302 -3.757 265 H GLU 39 H GLU 39 3.880 9.500 -0.521 266 HA GLU 39 HA GLU 39 3.217 11.698 -2.369 267 HB2 GLU 39 1HB GLU 39 5.394 11.422 -0.322 268 HB3 GLU 39 2HB GLU 39 5.604 12.487 -1.705 269 HG2 GLU 39 1HG GLU 39 3.145 12.730 -0.044 270 HG3 GLU 39 2HG GLU 39 4.664 13.397 0.551 271 H THR 40 H THR 40 4.958 12.145 -3.991 272 HA THR 40 HA THR 40 5.700 9.652 -5.268 273 HB THR 40 HB THR 40 6.012 12.514 -6.192 274 HG1 THR 40 1HG THR 40 4.359 11.348 -7.748 275 HG21 THR 40 1HG2 THR 40 6.231 10.111 -7.967 276 HG22 THR 40 2HG2 THR 40 7.643 10.705 -7.092 277 HG23 THR 40 3HG2 THR 40 6.809 11.754 -8.238 278 HA PRO 41 HA PRO 41 9.872 9.631 -3.830 279 HB2 PRO 41 1HB PRO 41 10.921 7.969 -5.703 280 HB3 PRO 41 2HB PRO 41 9.885 7.402 -4.387 281 HG2 PRO 41 1HG PRO 41 9.181 7.976 -7.240 282 HG3 PRO 41 2HG PRO 41 8.684 6.616 -6.217 283 HD2 PRO 41 1HD PRO 41 7.077 8.742 -6.693 284 HD3 PRO 41 2HD PRO 41 7.043 7.844 -5.163 285 H VAL 42 H VAL 42 11.509 11.010 -4.114 286 HA VAL 42 HA VAL 42 11.624 12.789 -6.300 287 HB VAL 42 HB VAL 42 13.734 13.580 -5.348 288 HG11 VAL 42 1HG1 VAL 42 11.617 14.325 -4.366 289 HG12 VAL 42 2HG1 VAL 42 11.677 12.981 -3.224 290 HG13 VAL 42 3HG1 VAL 42 12.902 14.249 -3.160 291 HG21 VAL 42 1HG2 VAL 42 14.317 11.100 -4.671 292 HG22 VAL 42 2HG2 VAL 42 14.978 12.470 -3.778 293 HG23 VAL 42 3HG2 VAL 42 13.590 11.589 -3.141 294 H SER 43 H SER 43 12.874 9.634 -5.850 295 HA SER 43 HA SER 43 14.744 9.963 -8.095 296 HB2 SER 43 1HB SER 43 15.400 8.914 -5.782 297 HB3 SER 43 2HB SER 43 14.607 7.476 -6.424 298 HG SER 43 HG SER 43 16.982 8.689 -7.182 299 H GLY 44 H GLY 44 14.429 8.937 -9.992 300 HA2 GLY 44 1HA GLY 44 13.218 6.587 -10.583 301 HA3 GLY 44 2HA GLY 44 11.861 7.693 -10.438 302 H ASN 45 H ASN 45 12.582 6.302 -12.801 303 HA ASN 45 HA ASN 45 13.809 8.313 -14.524 304 HB2 ASN 45 1HB ASN 45 14.596 6.082 -14.904 305 HB3 ASN 45 2HB ASN 45 12.954 5.456 -15.006 306 HD21 ASN 45 1HD2 ASN 45 15.413 7.330 -16.616 307 HD22 ASN 45 2HD2 ASN 45 14.721 7.244 -18.197 308 H GLY 46 H GLY 46 12.652 9.703 -15.684 309 HA2 GLY 46 1HA GLY 46 10.887 10.694 -16.768 310 HA3 GLY 46 2HA GLY 46 10.263 9.073 -17.038 311 H GLU 47 H GLU 47 8.232 8.936 -16.374 312 HA GLU 47 HA GLU 47 7.551 10.033 -13.736 313 HB2 GLU 47 1HB GLU 47 5.251 10.554 -14.785 314 HB3 GLU 47 2HB GLU 47 6.582 11.659 -15.099 315 HG2 GLU 47 1HG GLU 47 6.907 10.760 -17.285 316 HG3 GLU 47 2HG GLU 47 5.762 9.457 -16.975 317 H ILE 48 H ILE 48 5.831 8.966 -12.653 318 HA ILE 48 HA ILE 48 5.725 6.151 -13.201 319 HB ILE 48 HB ILE 48 4.114 7.671 -11.152 320 HG12 ILE 48 1HG1 ILE 48 6.554 8.135 -10.959 321 HG13 ILE 48 2HG1 ILE 48 5.903 7.265 -9.574 322 HG21 ILE 48 1HG2 ILE 48 3.202 5.617 -10.993 323 HG22 ILE 48 2HG2 ILE 48 4.573 4.832 -11.773 324 HG23 ILE 48 3HG2 ILE 48 4.659 5.263 -10.066 325 HD11 ILE 48 1HD1 ILE 48 6.822 5.191 -10.417 326 HD12 ILE 48 2HD1 ILE 48 7.420 6.020 -11.854 327 HD13 ILE 48 3HD1 ILE 48 8.084 6.413 -10.268 328 H GLN 49 H GLN 49 4.354 5.204 -14.544 329 HA GLN 49 HA GLN 49 2.309 6.467 -15.929 330 HB2 GLN 49 1HB GLN 49 2.435 3.515 -15.301 331 HB3 GLN 49 2HB GLN 49 1.619 4.273 -16.662 332 HG2 GLN 49 1HG GLN 49 4.583 4.116 -16.178 333 HG3 GLN 49 2HG GLN 49 3.656 3.285 -17.426 334 HE21 GLN 49 1HE2 GLN 49 5.919 5.194 -17.570 335 HE22 GLN 49 2HE2 GLN 49 5.377 6.459 -18.614 336 H ASN 50 H ASN 50 1.942 4.135 -13.251 337 HA ASN 50 HA ASN 50 -0.348 5.627 -12.267 338 HB2 ASN 50 1HB ASN 50 -0.538 2.951 -13.560 339 HB3 ASN 50 2HB ASN 50 -1.512 3.227 -12.119 340 HD21 ASN 50 1HD2 ASN 50 -3.480 3.886 -12.532 341 HD22 ASN 50 2HD2 ASN 50 -3.977 4.852 -13.876 342 H TYR 51 H TYR 51 -0.912 5.120 -10.111 343 HA TYR 51 HA TYR 51 1.268 3.845 -8.634 344 HB2 TYR 51 1HB TYR 51 -0.881 5.810 -7.909 345 HB3 TYR 51 2HB TYR 51 -0.069 4.887 -6.649 346 HD1 TYR 51 1HD TYR 51 2.620 4.881 -6.966 347 HD2 TYR 51 2HD TYR 51 -0.039 7.906 -8.339 348 HE1 TYR 51 1HE TYR 51 4.472 6.500 -6.968 349 HE2 TYR 51 2HE TYR 51 1.806 9.533 -8.346 350 HH TYR 51 HH TYR 51 4.459 9.307 -8.560 351 H LYS 52 H LYS 52 1.060 1.855 -7.879 352 HA LYS 52 HA LYS 52 -1.571 0.599 -7.837 353 HB2 LYS 52 1HB LYS 52 0.564 -0.437 -8.854 354 HB3 LYS 52 2HB LYS 52 1.031 -0.765 -7.190 355 HG2 LYS 52 1HG LYS 52 0.028 -2.738 -7.903 356 HG3 LYS 52 2HG LYS 52 -1.237 -1.927 -6.976 357 HD2 LYS 52 1HD LYS 52 -2.440 -2.498 -8.829 358 HD3 LYS 52 2HD LYS 52 -1.829 -0.929 -9.359 359 HE2 LYS 52 1HE LYS 52 -0.001 -2.031 -10.539 360 HE3 LYS 52 2HE LYS 52 -0.574 -3.602 -9.982 361 HZ1 LYS 52 1HZ LYS 52 -2.649 -2.152 -11.273 362 HZ2 LYS 52 2HZ LYS 52 -2.033 -3.685 -11.632 363 HZ3 LYS 52 3HZ LYS 52 -1.307 -2.307 -12.292 364 H LEU 53 H LEU 53 -2.725 0.642 -6.033 365 HA LEU 53 HA LEU 53 -1.323 0.794 -3.453 366 HB2 LEU 53 1HB LEU 53 -2.752 2.649 -3.695 367 HB3 LEU 53 2HB LEU 53 -4.060 1.657 -4.335 368 HG LEU 53 HG LEU 53 -4.277 0.621 -2.069 369 HD11 LEU 53 1HD1 LEU 53 -3.040 1.256 -0.280 370 HD12 LEU 53 2HD1 LEU 53 -2.810 2.898 -0.878 371 HD13 LEU 53 3HD1 LEU 53 -1.846 1.578 -1.538 372 HD21 LEU 53 1HD2 LEU 53 -4.839 3.451 -2.734 373 HD22 LEU 53 2HD2 LEU 53 -5.061 2.961 -1.054 374 HD23 LEU 53 3HD2 LEU 53 -5.945 2.135 -2.338 375 H TYR 54 H TYR 54 -1.071 -1.164 -2.593 376 HA TYR 54 HA TYR 54 -3.008 -3.267 -3.067 377 HB2 TYR 54 1HB TYR 54 -0.407 -3.219 -1.528 378 HB3 TYR 54 2HB TYR 54 -1.418 -4.649 -1.707 379 HD1 TYR 54 2HD TYR 54 -0.138 -2.001 -4.025 380 HD2 TYR 54 1HD TYR 54 -0.562 -6.157 -3.216 381 HE1 TYR 54 2HE TYR 54 0.985 -2.523 -6.149 382 HE2 TYR 54 1HE TYR 54 0.562 -6.690 -5.338 383 HH TYR 54 HH TYR 54 1.379 -4.192 -7.663 384 H TYR 55 H TYR 55 -4.030 -4.458 -1.363 385 HA TYR 55 HA TYR 55 -4.074 -3.396 1.309 386 HB2 TYR 55 1HB TYR 55 -6.358 -2.683 1.371 387 HB3 TYR 55 2HB TYR 55 -5.590 -1.854 0.021 388 HD1 TYR 55 1HD TYR 55 -5.829 -3.082 -2.306 389 HD2 TYR 55 2HD TYR 55 -8.408 -3.693 1.023 390 HE1 TYR 55 1HE TYR 55 -7.577 -3.920 -3.821 391 HE2 TYR 55 2HE TYR 55 -10.162 -4.533 -0.482 392 HH TYR 55 HH TYR 55 -10.317 -4.015 -3.593 393 H MET 56 H MET 56 -4.584 -4.953 2.732 394 HA MET 56 HA MET 56 -6.316 -7.149 2.016 395 HB2 MET 56 1HB MET 56 -4.806 -8.868 1.953 396 HB3 MET 56 2HB MET 56 -3.810 -7.587 1.274 397 HG2 MET 56 1HG MET 56 -3.196 -7.230 3.827 398 HG3 MET 56 2HG MET 56 -3.645 -8.932 3.906 399 HE1 MET 56 1HE MET 56 -0.138 -9.391 4.241 400 HE2 MET 56 2HE MET 56 -1.808 -9.720 4.702 401 HE3 MET 56 3HE MET 56 -1.019 -10.713 3.476 402 H GLU 57 H GLU 57 -6.703 -8.610 3.862 403 HA GLU 57 HA GLU 57 -6.698 -7.082 6.341 404 HB2 GLU 57 1HB GLU 57 -8.738 -8.300 5.362 405 HB3 GLU 57 2HB GLU 57 -7.970 -9.778 5.925 406 HG2 GLU 57 1HG GLU 57 -7.854 -8.509 8.201 407 HG3 GLU 57 2HG GLU 57 -9.143 -7.536 7.495 408 H LYS 58 H LYS 58 -5.543 -7.575 8.114 409 HA LYS 58 HA LYS 58 -3.256 -9.145 7.978 410 HB2 LYS 58 1HB LYS 58 -4.092 -7.319 9.715 411 HB3 LYS 58 2HB LYS 58 -4.566 -8.746 10.628 412 HG2 LYS 58 1HG LYS 58 -2.474 -8.468 11.452 413 HG3 LYS 58 2HG LYS 58 -2.086 -9.480 10.058 414 HD2 LYS 58 1HD LYS 58 -1.382 -7.610 8.783 415 HD3 LYS 58 2HD LYS 58 -2.064 -6.471 9.947 416 HE2 LYS 58 1HE LYS 58 0.151 -6.378 10.524 417 HE3 LYS 58 2HE LYS 58 -0.402 -7.663 11.596 418 HZ1 LYS 58 1HZ LYS 58 1.359 -8.723 10.709 419 HZ2 LYS 58 2HZ LYS 58 1.361 -7.804 9.289 420 HZ3 LYS 58 3HZ LYS 58 0.270 -9.085 9.465 421 H GLY 59 H GLY 59 -3.447 -11.245 7.377 422 HA2 GLY 59 1HA GLY 59 -3.508 -13.461 8.417 423 HA3 GLY 59 2HA GLY 59 -5.012 -12.978 9.187 424 H THR 60 H THR 60 -4.117 -12.405 5.825 425 HA THR 60 HA THR 60 -6.206 -14.316 5.008 426 HB THR 60 HB THR 60 -5.699 -11.884 3.351 427 HG1 THR 60 1HG THR 60 -6.366 -10.643 4.923 428 HG21 THR 60 1HG2 THR 60 -7.941 -13.810 3.828 429 HG22 THR 60 2HG2 THR 60 -7.187 -13.326 2.308 430 HG23 THR 60 3HG2 THR 60 -8.272 -12.218 3.148 431 H ASP 61 H ASP 61 -3.083 -12.921 4.441 432 HA ASP 61 HA ASP 61 -1.382 -13.427 3.012 433 HB2 ASP 61 1HB ASP 61 -0.900 -15.718 2.737 434 HB3 ASP 61 2HB ASP 61 -1.809 -15.633 4.244 435 H LYS 62 H LYS 62 -3.981 -12.484 1.897 436 HA LYS 62 HA LYS 62 -3.492 -13.320 -0.880 437 HB2 LYS 62 1HB LYS 62 -5.538 -14.422 0.000 438 HB3 LYS 62 2HB LYS 62 -6.220 -12.835 0.333 439 HG2 LYS 62 1HG LYS 62 -7.172 -13.541 -1.696 440 HG3 LYS 62 2HG LYS 62 -5.952 -12.340 -2.128 441 HD2 LYS 62 1HD LYS 62 -5.527 -14.016 -3.659 442 HD3 LYS 62 2HD LYS 62 -4.393 -14.416 -2.367 443 HE2 LYS 62 1HE LYS 62 -5.936 -16.074 -1.494 444 HE3 LYS 62 2HE LYS 62 -7.131 -15.635 -2.714 445 HZ1 LYS 62 1HZ LYS 62 -5.835 -16.543 -4.410 446 HZ2 LYS 62 2HZ LYS 62 -5.713 -17.672 -3.157 447 HZ3 LYS 62 3HZ LYS 62 -4.438 -16.602 -3.458 448 H GLU 63 H GLU 63 -2.164 -11.289 -0.619 449 HA GLU 63 HA GLU 63 -3.346 -8.768 -0.271 450 HB2 GLU 63 1HB GLU 63 -0.819 -9.557 -0.439 451 HB3 GLU 63 2HB GLU 63 -1.023 -9.073 -2.116 452 HG2 GLU 63 1HG GLU 63 -1.426 -6.844 -1.547 453 HG3 GLU 63 2HG GLU 63 -1.743 -7.241 0.141 454 H GLN 64 H GLN 64 -3.876 -7.146 -1.810 455 HA GLN 64 HA GLN 64 -4.600 -8.190 -4.468 456 HB2 GLN 64 1HB GLN 64 -6.201 -6.447 -2.604 457 HB3 GLN 64 2HB GLN 64 -6.543 -6.530 -4.327 458 HG2 GLN 64 1HG GLN 64 -7.192 -8.767 -4.213 459 HG3 GLN 64 2HG GLN 64 -6.425 -9.002 -2.643 460 HE21 GLN 64 1HE2 GLN 64 -7.442 -8.207 -0.786 461 HE22 GLN 64 2HE2 GLN 64 -9.123 -7.810 -0.771 462 H ASP 65 H ASP 65 -5.394 -6.020 -5.772 463 HA ASP 65 HA ASP 65 -3.560 -3.818 -5.347 464 HB2 ASP 65 1HB ASP 65 -2.393 -3.990 -7.417 465 HB3 ASP 65 2HB ASP 65 -2.287 -5.574 -6.654 466 H VAL 66 H VAL 66 -4.358 -1.933 -6.102 467 HA VAL 66 HA VAL 66 -6.670 -2.050 -7.924 468 HB VAL 66 HB VAL 66 -7.744 -0.238 -6.702 469 HG11 VAL 66 1HG1 VAL 66 -7.582 -2.872 -5.906 470 HG12 VAL 66 2HG1 VAL 66 -7.311 -1.975 -4.410 471 HG13 VAL 66 3HG1 VAL 66 -8.772 -1.693 -5.357 472 HG21 VAL 66 1HG2 VAL 66 -5.162 -0.004 -5.485 473 HG22 VAL 66 2HG2 VAL 66 -6.536 1.098 -5.400 474 HG23 VAL 66 3HG2 VAL 66 -6.389 -0.220 -4.237 475 H ASP 67 H ASP 67 -6.720 -0.565 -9.531 476 HA ASP 67 HA ASP 67 -4.328 0.865 -10.129 477 HB2 ASP 67 1HB ASP 67 -6.969 0.460 -11.438 478 HB3 ASP 67 2HB ASP 67 -6.026 1.862 -11.938 479 H VAL 68 H VAL 68 -3.757 2.842 -9.526 480 HA VAL 68 HA VAL 68 -5.810 4.850 -8.982 481 HB VAL 68 HB VAL 68 -3.598 4.262 -7.011 482 HG11 VAL 68 1HG1 VAL 68 -5.877 5.935 -6.229 483 HG12 VAL 68 2HG1 VAL 68 -4.153 6.144 -5.917 484 HG13 VAL 68 3HG1 VAL 68 -4.836 6.637 -7.467 485 HG21 VAL 68 1HG2 VAL 68 -5.058 2.519 -6.622 486 HG22 VAL 68 2HG2 VAL 68 -5.697 3.760 -5.545 487 HG23 VAL 68 3HG2 VAL 68 -6.473 3.457 -7.099 488 H SER 69 H SER 69 -5.228 6.875 -9.565 489 HA SER 69 HA SER 69 -2.419 7.314 -10.336 490 HB2 SER 69 1HB SER 69 -3.328 8.787 -12.178 491 HB3 SER 69 2HB SER 69 -3.637 7.063 -12.384 492 HG SER 69 HG SER 69 -5.741 7.378 -11.737 493 H SER 70 H SER 70 -3.505 7.974 -7.827 494 HA SER 70 HA SER 70 -3.161 10.876 -7.899 495 HB2 SER 70 1HB SER 70 -5.032 11.080 -6.182 496 HB3 SER 70 2HB SER 70 -5.537 10.747 -7.838 497 HG SER 70 HG SER 70 -5.061 8.574 -6.152 498 H HIS 71 H HIS 71 -2.931 11.740 -5.595 499 HA HIS 71 HA HIS 71 -1.111 9.951 -4.170 500 HB2 HIS 71 1HB HIS 71 -1.585 12.921 -3.842 501 HB3 HIS 71 2HB HIS 71 -0.353 11.983 -3.003 502 HD1 HIS 71 1HD HIS 71 -0.401 14.329 -5.489 503 HD2 HIS 71 2HD HIS 71 1.127 10.467 -5.377 504 HE1 HIS 71 1HE HIS 71 1.341 14.243 -7.300 505 HE2 HIS 71 2HE HIS 71 2.191 11.872 -7.270 506 H SER 72 H SER 72 -4.099 9.809 -4.051 507 HA SER 72 HA SER 72 -4.332 9.306 -1.268 508 HB2 SER 72 1HB SER 72 -5.886 10.988 -0.600 509 HB3 SER 72 2HB SER 72 -4.546 11.835 -1.372 510 HG SER 72 HG SER 72 -7.176 11.560 -2.181 511 H TYR 73 H TYR 73 -5.579 7.570 -1.191 512 HA TYR 73 HA TYR 73 -7.950 7.437 -2.917 513 HB2 TYR 73 1HB TYR 73 -6.129 6.121 -3.964 514 HB3 TYR 73 2HB TYR 73 -6.013 5.151 -2.499 515 HD1 TYR 73 1HD TYR 73 -7.808 3.582 -1.903 516 HD2 TYR 73 2HD TYR 73 -7.916 5.790 -5.539 517 HE1 TYR 73 1HE TYR 73 -9.533 2.059 -2.770 518 HE2 TYR 73 2HE TYR 73 -9.642 4.273 -6.415 519 HH TYR 73 HH TYR 73 -11.275 2.004 -4.432 520 H THR 74 H THR 74 -9.700 6.331 -2.068 521 HA THR 74 HA THR 74 -9.446 5.564 0.767 522 HB THR 74 HB THR 74 -11.930 6.597 -0.613 523 HG1 THR 74 1HG THR 74 -11.343 8.549 0.021 524 HG21 THR 74 1HG2 THR 74 -12.239 5.076 1.360 525 HG22 THR 74 2HG2 THR 74 -12.902 6.697 1.571 526 HG23 THR 74 3HG2 THR 74 -11.371 6.264 2.332 527 H ILE 75 H ILE 75 -9.850 3.511 1.253 528 HA ILE 75 HA ILE 75 -11.166 1.829 -0.763 529 HB ILE 75 HB ILE 75 -9.349 1.105 1.533 530 HG12 ILE 75 1HG1 ILE 75 -9.004 0.663 -1.437 531 HG13 ILE 75 2HG1 ILE 75 -8.348 2.052 -0.577 532 HG21 ILE 75 1HG2 ILE 75 -11.092 -0.577 1.333 533 HG22 ILE 75 2HG2 ILE 75 -10.777 -0.719 -0.396 534 HG23 ILE 75 3HG2 ILE 75 -9.549 -1.217 0.768 535 HD11 ILE 75 1HD1 ILE 75 -7.693 -0.787 0.147 536 HD12 ILE 75 2HD1 ILE 75 -6.748 0.172 -0.992 537 HD13 ILE 75 3HD1 ILE 75 -6.890 0.686 0.689 538 H ASN 76 H ASN 76 -13.293 1.710 -0.403 539 HA ASN 76 HA ASN 76 -14.302 1.609 2.336 540 HB2 ASN 76 1HB ASN 76 -15.728 1.875 -0.319 541 HB3 ASN 76 2HB ASN 76 -16.540 1.827 1.243 542 HD21 ASN 76 1HD2 ASN 76 -14.188 3.614 -0.672 543 HD22 ASN 76 2HD2 ASN 76 -14.469 5.144 0.079 544 H GLY 77 H GLY 77 -16.432 0.128 2.399 545 HA2 GLY 77 1HA GLY 77 -17.302 -2.003 2.388 546 HA3 GLY 77 2HA GLY 77 -16.305 -2.338 0.980 547 H LEU 78 H LEU 78 -15.566 -1.521 4.371 548 HA LEU 78 HA LEU 78 -14.023 -4.024 4.531 549 HB2 LEU 78 1HB LEU 78 -13.238 -1.433 5.846 550 HB3 LEU 78 2HB LEU 78 -12.306 -2.927 5.778 551 HG LEU 78 HG LEU 78 -12.935 -1.145 3.425 552 HD11 LEU 78 1HD1 LEU 78 -10.380 -1.544 4.975 553 HD12 LEU 78 2HD1 LEU 78 -11.374 -0.088 4.953 554 HD13 LEU 78 3HD1 LEU 78 -10.544 -0.610 3.487 555 HD21 LEU 78 1HD2 LEU 78 -11.632 -3.802 3.714 556 HD22 LEU 78 2HD2 LEU 78 -10.969 -2.667 2.537 557 HD23 LEU 78 3HD2 LEU 78 -12.654 -3.177 2.419 558 H LYS 79 H LYS 79 -13.604 -4.710 6.806 559 HA LYS 79 HA LYS 79 -16.064 -4.723 8.266 560 HB2 LYS 79 1HB LYS 79 -13.337 -5.891 8.801 561 HB3 LYS 79 2HB LYS 79 -14.665 -6.046 9.943 562 HG2 LYS 79 1HG LYS 79 -15.109 -6.868 7.119 563 HG3 LYS 79 2HG LYS 79 -14.162 -7.917 8.177 564 HD2 LYS 79 1HD LYS 79 -16.820 -6.856 9.064 565 HD3 LYS 79 2HD LYS 79 -16.724 -8.271 8.013 566 HE2 LYS 79 1HE LYS 79 -15.062 -8.162 10.491 567 HE3 LYS 79 2HE LYS 79 -16.778 -8.547 10.616 568 HZ1 LYS 79 1HZ LYS 79 -15.924 -10.618 10.333 569 HZ2 LYS 79 2HZ LYS 79 -14.610 -10.094 9.406 570 HZ3 LYS 79 3HZ LYS 79 -16.146 -10.213 8.706 571 H LYS 80 H LYS 80 -16.021 -4.355 10.699 572 HA LYS 80 HA LYS 80 -14.835 -1.719 11.188 573 HB2 LYS 80 1HB LYS 80 -16.991 -3.143 12.756 574 HB3 LYS 80 2HB LYS 80 -16.489 -1.468 12.946 575 HG2 LYS 80 1HG LYS 80 -18.319 -1.125 11.667 576 HG3 LYS 80 2HG LYS 80 -17.150 -1.391 10.372 577 HD2 LYS 80 1HD LYS 80 -17.852 -3.911 10.728 578 HD3 LYS 80 2HD LYS 80 -19.316 -3.170 11.380 579 HE2 LYS 80 1HE LYS 80 -19.461 -1.832 9.261 580 HE3 LYS 80 2HE LYS 80 -18.144 -2.817 8.626 581 HZ1 LYS 80 1HZ LYS 80 -19.844 -4.694 9.481 582 HZ2 LYS 80 2HZ LYS 80 -19.815 -4.099 7.898 583 HZ3 LYS 80 3HZ LYS 80 -20.933 -3.488 9.011 584 H TYR 81 H TYR 81 -13.243 -1.435 12.615 585 HA TYR 81 HA TYR 81 -11.763 -1.798 14.309 586 HB2 TYR 81 1HB TYR 81 -13.891 -2.466 15.555 587 HB3 TYR 81 2HB TYR 81 -13.453 -4.133 15.197 588 HD1 TYR 81 2HD TYR 81 -11.849 -1.054 16.595 589 HD2 TYR 81 1HD TYR 81 -12.304 -5.278 16.832 590 HE1 TYR 81 2HE TYR 81 -10.399 -1.093 18.581 591 HE2 TYR 81 1HE TYR 81 -10.856 -5.329 18.819 592 HH TYR 81 HH TYR 81 -9.448 -2.345 20.142 593 H THR 82 H THR 82 -11.742 -3.218 11.686 594 HA THR 82 HA THR 82 -10.133 -5.572 12.417 595 HB THR 82 HB THR 82 -11.525 -4.899 9.821 596 HG1 THR 82 1HG THR 82 -12.852 -5.769 11.496 597 HG21 THR 82 1HG2 THR 82 -10.731 -7.097 9.036 598 HG22 THR 82 2HG2 THR 82 -9.765 -7.257 10.503 599 HG23 THR 82 3HG2 THR 82 -9.399 -5.982 9.341 600 H GLU 83 H GLU 83 -8.075 -5.848 11.588 601 HA GLU 83 HA GLU 83 -6.717 -3.408 10.836 602 HB2 GLU 83 1HB GLU 83 -5.922 -5.381 12.413 603 HB3 GLU 83 2HB GLU 83 -5.333 -6.052 10.899 604 HG2 GLU 83 1HG GLU 83 -3.765 -4.407 10.615 605 HG3 GLU 83 2HG GLU 83 -4.661 -3.236 11.580 606 H TYR 84 H TYR 84 -5.442 -3.141 8.959 607 HA TYR 84 HA TYR 84 -5.706 -5.072 6.807 608 HB2 TYR 84 1HB TYR 84 -6.874 -2.292 6.655 609 HB3 TYR 84 2HB TYR 84 -6.535 -3.274 5.234 610 HD1 TYR 84 2HD TYR 84 -7.721 -5.506 5.005 611 HD2 TYR 84 1HD TYR 84 -8.868 -2.576 7.870 612 HE1 TYR 84 2HE TYR 84 -9.919 -6.588 5.223 613 HE2 TYR 84 1HE TYR 84 -11.068 -3.651 8.096 614 HH TYR 84 HH TYR 84 -11.809 -6.684 6.457 615 H SER 85 H SER 85 -3.870 -5.171 5.693 616 HA SER 85 HA SER 85 -1.778 -3.252 6.229 617 HB2 SER 85 1HB SER 85 -1.555 -5.837 5.974 618 HB3 SER 85 2HB SER 85 -1.536 -5.495 4.244 619 HG SER 85 HG SER 85 0.521 -5.196 4.609 620 H PHE 86 H PHE 86 -0.651 -2.051 4.647 621 HA PHE 86 HA PHE 86 -1.859 -1.819 2.004 622 HB2 PHE 86 1HB PHE 86 -1.568 0.523 3.897 623 HB3 PHE 86 2HB PHE 86 -1.998 0.650 2.195 624 HD1 PHE 86 2HD PHE 86 -4.129 -0.503 1.419 625 HD2 PHE 86 1HD PHE 86 -3.202 0.181 5.517 626 HE1 PHE 86 2HE PHE 86 -6.504 -0.778 1.998 627 HE2 PHE 86 1HE PHE 86 -5.576 -0.094 6.103 628 HZ PHE 86 HZ PHE 86 -7.231 -0.572 4.342 629 H ARG 87 H ARG 87 -0.437 -1.238 0.427 630 HA ARG 87 HA ARG 87 2.151 -0.123 1.125 631 HB2 ARG 87 1HB ARG 87 3.425 -1.903 0.049 632 HB3 ARG 87 2HB ARG 87 2.489 -2.542 1.393 633 HG2 ARG 87 1HG ARG 87 0.921 -3.555 -0.058 634 HG3 ARG 87 2HG ARG 87 1.549 -2.681 -1.457 635 HD2 ARG 87 1HD ARG 87 2.544 -4.718 -1.768 636 HD3 ARG 87 2HD ARG 87 3.781 -3.908 -0.808 637 HE ARG 87 HE ARG 87 1.888 -5.358 0.783 638 HH11 ARG 87 2HH1 ARG 87 4.811 -5.607 -1.092 639 HH12 ARG 87 1HH1 ARG 87 5.386 -7.008 -0.252 640 HH21 ARG 87 2HH2 ARG 87 2.634 -7.204 1.897 641 HH22 ARG 87 1HH2 ARG 87 4.147 -7.917 1.448 642 H VAL 88 H VAL 88 3.027 1.071 -0.495 643 HA VAL 88 HA VAL 88 1.460 1.253 -2.971 644 HB VAL 88 HB VAL 88 3.411 3.215 -1.759 645 HG11 VAL 88 1HG1 VAL 88 3.578 4.110 -3.786 646 HG12 VAL 88 2HG1 VAL 88 2.418 2.954 -4.444 647 HG13 VAL 88 3HG1 VAL 88 1.852 4.462 -3.723 648 HG21 VAL 88 1HG2 VAL 88 1.602 3.612 -0.468 649 HG22 VAL 88 2HG2 VAL 88 1.051 4.511 -1.882 650 HG23 VAL 88 3HG2 VAL 88 0.487 2.862 -1.611 651 H VAL 89 H VAL 89 2.398 1.104 -4.980 652 HA VAL 89 HA VAL 89 5.272 0.533 -5.119 653 HB VAL 89 HB VAL 89 3.141 -1.191 -6.393 654 HG11 VAL 89 1HG1 VAL 89 4.700 -1.654 -7.915 655 HG12 VAL 89 2HG1 VAL 89 5.937 -0.767 -7.022 656 HG13 VAL 89 3HG1 VAL 89 5.599 -2.452 -6.624 657 HG21 VAL 89 1HG2 VAL 89 3.612 -2.838 -4.849 658 HG22 VAL 89 2HG2 VAL 89 5.198 -2.172 -4.461 659 HG23 VAL 89 3HG2 VAL 89 3.740 -1.384 -3.859 660 H ALA 90 H ALA 90 6.270 1.378 -6.863 661 HA ALA 90 HA ALA 90 4.660 3.005 -8.665 662 HB1 ALA 90 1HB ALA 90 7.205 3.479 -9.437 663 HB2 ALA 90 2HB ALA 90 6.388 4.348 -8.136 664 HB3 ALA 90 3HB ALA 90 7.459 2.998 -7.759 665 H TYR 91 H TYR 91 4.111 2.370 -10.638 666 HA TYR 91 HA TYR 91 5.618 0.156 -11.867 667 HB2 TYR 91 1HB TYR 91 2.704 0.832 -11.841 668 HB3 TYR 91 2HB TYR 91 3.370 -0.032 -13.222 669 HD1 TYR 91 2HD TYR 91 2.584 -0.220 -9.650 670 HD2 TYR 91 1HD TYR 91 4.165 -2.314 -12.999 671 HE1 TYR 91 2HE TYR 91 2.400 -2.334 -8.407 672 HE2 TYR 91 1HE TYR 91 3.984 -4.435 -11.766 673 HH TYR 91 HH TYR 91 3.717 -5.325 -9.663 674 H ASN 92 H ASN 92 6.912 0.855 -13.426 675 HA ASN 92 HA ASN 92 5.910 2.941 -15.248 676 HB2 ASN 92 1HB ASN 92 8.197 3.792 -15.468 677 HB3 ASN 92 2HB ASN 92 7.667 3.855 -13.789 678 HD21 ASN 92 1HD2 ASN 92 10.309 3.997 -14.372 679 HD22 ASN 92 2HD2 ASN 92 11.107 2.546 -13.880 680 H LYS 93 H LYS 93 7.254 2.947 -17.346 681 HA LYS 93 HA LYS 93 6.777 0.717 -18.824 682 HB2 LYS 93 1HB LYS 93 8.484 1.527 -20.416 683 HB3 LYS 93 2HB LYS 93 7.437 2.818 -19.843 684 HG2 LYS 93 1HG LYS 93 9.131 3.663 -18.405 685 HG3 LYS 93 2HG LYS 93 10.153 2.251 -18.684 686 HD2 LYS 93 1HD LYS 93 10.801 2.963 -20.765 687 HD3 LYS 93 2HD LYS 93 9.316 3.878 -21.032 688 HE2 LYS 93 1HE LYS 93 11.216 4.746 -18.900 689 HE3 LYS 93 2HE LYS 93 11.580 5.114 -20.585 690 HZ1 LYS 93 1HZ LYS 93 10.244 6.852 -20.384 691 HZ2 LYS 93 2HZ LYS 93 9.739 6.377 -18.842 692 HZ3 LYS 93 3HZ LYS 93 8.933 5.797 -20.211 693 H HIS 94 H HIS 94 9.732 1.427 -17.006 694 HA HIS 94 HA HIS 94 11.232 -0.789 -17.836 695 HB2 HIS 94 1HB HIS 94 11.307 0.739 -15.227 696 HB3 HIS 94 2HB HIS 94 12.524 -0.432 -15.729 697 HD1 HIS 94 1HD HIS 94 13.630 0.236 -18.204 698 HD2 HIS 94 2HD HIS 94 11.955 3.267 -15.909 699 HE1 HIS 94 1HE HIS 94 14.613 2.373 -19.092 700 HE2 HIS 94 2HE HIS 94 13.651 4.186 -17.633 701 H GLY 95 H GLY 95 9.722 -0.431 -14.622 702 HA2 GLY 95 1HA GLY 95 8.181 -2.719 -14.598 703 HA3 GLY 95 2HA GLY 95 9.794 -3.243 -14.137 704 HA PRO 96 HA PRO 96 7.336 -1.597 -10.447 705 HB2 PRO 96 1HB PRO 96 7.085 -3.956 -9.128 706 HB3 PRO 96 2HB PRO 96 5.893 -3.378 -10.298 707 HG2 PRO 96 1HG PRO 96 8.101 -5.366 -10.667 708 HG3 PRO 96 2HG PRO 96 6.425 -5.435 -11.243 709 HD2 PRO 96 1HD PRO 96 8.487 -4.716 -12.844 710 HD3 PRO 96 2HD PRO 96 6.852 -4.053 -13.037 711 H GLY 97 H GLY 97 9.044 -0.535 -9.543 712 HA2 GLY 97 1HA GLY 97 11.469 -1.862 -8.781 713 HA3 GLY 97 2HA GLY 97 11.034 -0.198 -8.421 714 H VAL 98 H VAL 98 12.128 -0.812 -6.358 715 HA VAL 98 HA VAL 98 11.392 -2.641 -4.512 716 HB VAL 98 HB VAL 98 12.023 -1.108 -2.754 717 HG11 VAL 98 1HG1 VAL 98 13.623 -1.856 -4.821 718 HG12 VAL 98 2HG1 VAL 98 13.870 -0.109 -4.802 719 HG13 VAL 98 3HG1 VAL 98 14.187 -1.062 -3.351 720 HG21 VAL 98 1HG2 VAL 98 12.526 1.273 -4.276 721 HG22 VAL 98 2HG2 VAL 98 10.823 0.827 -4.395 722 HG23 VAL 98 3HG2 VAL 98 11.564 1.067 -2.812 723 H SER 99 H SER 99 9.994 -2.531 -2.603 724 HA SER 99 HA SER 99 7.467 -1.120 -3.164 725 HB2 SER 99 1HB SER 99 7.002 -3.412 -3.549 726 HB3 SER 99 2HB SER 99 7.932 -3.920 -2.139 727 HG SER 99 HG SER 99 5.775 -2.204 -1.716 728 H THR 100 H THR 100 6.600 0.054 -1.555 729 HA THR 100 HA THR 100 8.117 0.779 0.681 730 HB THR 100 HB THR 100 5.707 1.575 1.501 731 HG1 THR 100 1HG THR 100 4.667 2.056 -0.725 732 HG21 THR 100 1HG2 THR 100 6.464 3.124 -0.852 733 HG22 THR 100 2HG2 THR 100 7.835 2.731 0.185 734 HG23 THR 100 3HG2 THR 100 6.445 3.589 0.849 735 HA PRO 101 HA PRO 101 7.244 -2.172 3.809 736 HB2 PRO 101 1HB PRO 101 6.975 -0.619 6.019 737 HB3 PRO 101 2HB PRO 101 8.531 -0.906 5.231 738 HG2 PRO 101 1HG PRO 101 6.697 1.450 5.003 739 HG3 PRO 101 2HG PRO 101 8.463 1.418 5.161 740 HD2 PRO 101 1HD PRO 101 7.220 1.796 2.785 741 HD3 PRO 101 2HD PRO 101 8.781 0.962 2.924 742 H ASP 102 H ASP 102 5.525 -3.269 4.571 743 HA ASP 102 HA ASP 102 2.925 -2.651 3.936 744 HB2 ASP 102 1HB ASP 102 2.328 -4.281 5.832 745 HB3 ASP 102 2HB ASP 102 3.355 -4.885 4.534 746 H VAL 103 H VAL 103 1.246 -1.589 4.878 747 HA VAL 103 HA VAL 103 1.817 -0.163 7.395 748 HB VAL 103 HB VAL 103 0.250 0.848 5.018 749 HG11 VAL 103 1HG1 VAL 103 0.551 2.978 6.675 750 HG12 VAL 103 2HG1 VAL 103 -0.896 1.971 6.592 751 HG13 VAL 103 3HG1 VAL 103 0.319 1.671 7.835 752 HG21 VAL 103 1HG2 VAL 103 2.037 2.098 4.434 753 HG22 VAL 103 2HG2 VAL 103 2.540 2.356 6.105 754 HG23 VAL 103 3HG2 VAL 103 2.932 0.842 5.289 755 H ALA 104 H ALA 104 0.772 -1.760 8.631 756 HA ALA 104 HA ALA 104 -1.973 -2.461 8.077 757 HB1 ALA 104 1HB ALA 104 -1.820 -3.806 10.113 758 HB2 ALA 104 2HB ALA 104 -0.463 -4.119 9.031 759 HB3 ALA 104 3HB ALA 104 -0.238 -3.107 10.457 760 H VAL 105 H VAL 105 -3.774 -1.664 9.020 761 HA VAL 105 HA VAL 105 -3.565 0.070 11.350 762 HB VAL 105 HB VAL 105 -3.312 1.511 9.279 763 HG11 VAL 105 1HG1 VAL 105 -6.264 1.156 8.923 764 HG12 VAL 105 2HG1 VAL 105 -5.082 1.861 7.817 765 HG13 VAL 105 3HG1 VAL 105 -5.122 0.116 8.072 766 HG21 VAL 105 1HG2 VAL 105 -5.693 2.670 10.364 767 HG22 VAL 105 2HG2 VAL 105 -4.770 1.904 11.656 768 HG23 VAL 105 3HG2 VAL 105 -4.011 3.126 10.636 769 H ARG 106 H ARG 106 -5.352 0.024 12.622 770 HA ARG 106 HA ARG 106 -7.446 -1.850 11.860 771 HB2 ARG 106 1HB ARG 106 -6.216 -1.795 14.132 772 HB3 ARG 106 2HB ARG 106 -7.259 -0.428 14.501 773 HG2 ARG 106 1HG ARG 106 -9.213 -1.931 13.955 774 HG3 ARG 106 2HG ARG 106 -8.059 -3.266 13.940 775 HD2 ARG 106 1HD ARG 106 -8.413 -1.388 16.268 776 HD3 ARG 106 2HD ARG 106 -9.270 -2.920 16.112 777 HE ARG 106 HE ARG 106 -6.539 -2.543 16.882 778 HH11 ARG 106 2HH1 ARG 106 -8.779 -4.739 15.373 779 HH12 ARG 106 1HH1 ARG 106 -7.851 -6.152 15.752 780 HH21 ARG 106 2HH2 ARG 106 -5.308 -4.396 17.387 781 HH22 ARG 106 1HH2 ARG 106 -5.878 -5.956 16.898 782 H THR 107 H THR 107 -9.549 -1.335 11.526 783 HA THR 107 HA THR 107 -10.173 1.419 10.980 784 HB THR 107 HB THR 107 -12.480 0.450 10.449 785 HG1 THR 107 1HG THR 107 -12.666 -1.748 10.413 786 HG21 THR 107 1HG2 THR 107 -10.845 -1.091 8.662 787 HG22 THR 107 2HG2 THR 107 -10.061 0.450 9.010 788 HG23 THR 107 3HG2 THR 107 -11.701 0.421 8.362 789 H LEU 108 H LEU 108 -12.278 2.356 11.758 790 HA LEU 108 HA LEU 108 -12.261 2.487 14.591 791 HB2 LEU 108 1HB LEU 108 -14.412 3.477 12.730 792 HB3 LEU 108 2HB LEU 108 -14.083 4.033 14.370 793 HG LEU 108 HG LEU 108 -12.285 4.438 11.980 794 HD11 LEU 108 1HD1 LEU 108 -14.580 5.730 12.357 795 HD12 LEU 108 2HD1 LEU 108 -13.138 6.524 11.727 796 HD13 LEU 108 3HD1 LEU 108 -13.557 6.684 13.432 797 HD21 LEU 108 1HD2 LEU 108 -10.678 5.078 13.376 798 HD22 LEU 108 2HD2 LEU 108 -11.636 4.393 14.690 799 HD23 LEU 108 3HD2 LEU 108 -11.790 6.104 14.284 800 H SER 109 H SER 109 -13.787 1.794 16.091 801 HA SER 109 HA SER 109 -15.330 -0.542 15.238 802 HB2 SER 109 1HB SER 109 -13.905 -1.037 17.079 803 HB3 SER 109 2HB SER 109 -14.392 0.422 17.941 804 HG SER 109 HG SER 109 -16.409 -0.482 18.282 805 H ASP 110 H ASP 110 -17.445 -0.403 14.947 806 HA ASP 110 HA ASP 110 -18.899 1.977 15.506 807 HB2 ASP 110 1HB ASP 110 -19.711 0.850 13.643 808 HB3 ASP 110 2HB ASP 110 -19.598 -0.727 14.422 809 H SER 111 H SER 111 -18.503 -1.088 17.139 810 HA SER 111 HA SER 111 -20.633 -1.242 18.821 811 HB2 SER 111 1HB SER 111 -18.748 -2.851 18.792 812 HB3 SER 111 2HB SER 111 -17.752 -1.674 19.648 813 HG SER 111 HG SER 111 -19.659 -1.757 21.213 814 H GLY 112 H GLY 112 -17.663 0.616 19.505 815 HA2 GLY 112 1HA GLY 112 -18.934 2.871 20.527 816 HA3 GLY 112 2HA GLY 112 -18.658 1.789 21.885 817 HA PRO 113 HA PRO 113 -14.865 4.447 20.923 818 HB2 PRO 113 1HB PRO 113 -14.922 5.952 23.182 819 HB3 PRO 113 2HB PRO 113 -15.746 6.425 21.691 820 HG2 PRO 113 1HG PRO 113 -16.866 5.125 24.144 821 HG3 PRO 113 2HG PRO 113 -17.541 6.444 23.170 822 HD2 PRO 113 1HD PRO 113 -18.388 3.883 22.939 823 HD3 PRO 113 2HD PRO 113 -18.364 5.008 21.566 824 H SER 114 H SER 114 -15.919 2.109 22.988 825 HA SER 114 HA SER 114 -14.429 1.873 25.184 826 HB2 SER 114 1HB SER 114 -14.694 -0.292 23.083 827 HB3 SER 114 2HB SER 114 -14.236 -0.560 24.765 828 HG SER 114 HG SER 114 -16.299 0.436 25.305 829 H SER 115 H SER 115 -12.428 2.600 25.517 830 HA SER 115 HA SER 115 -10.394 2.773 23.604 831 HB2 SER 115 1HB SER 115 -10.632 3.904 25.949 832 HB3 SER 115 2HB SER 115 -9.765 2.480 26.526 833 HG SER 115 HG SER 115 -8.049 3.014 25.210 834 H GLY 116 H GLY 116 -8.738 1.458 23.003 835 HA2 GLY 116 1HA GLY 116 -8.884 -1.314 23.983 836 HA3 GLY 116 2HA GLY 116 -8.232 -0.818 22.428 Start of MODEL 2 1 H1 GLY 1 H GLY 1 -6.797 -11.291 13.623 2 HA2 GLY 1 1HA GLY 1 -7.377 -10.903 16.362 3 HA3 GLY 1 2HA GLY 1 -8.586 -11.966 15.657 4 H SER 2 H SER 2 -7.103 -13.448 13.894 5 HA SER 2 HA SER 2 -5.826 -15.289 15.662 6 HB2 SER 2 1HB SER 2 -7.145 -15.813 13.511 7 HB3 SER 2 2HB SER 2 -5.659 -15.401 12.655 8 HG SER 2 HG SER 2 -4.771 -16.997 14.376 9 H SER 3 H SER 3 -3.668 -15.894 15.769 10 HA SER 3 HA SER 3 -1.772 -13.823 15.482 11 HB2 SER 3 1HB SER 3 -1.434 -16.784 15.994 12 HB3 SER 3 2HB SER 3 -0.102 -15.630 16.036 13 HG SER 3 HG SER 3 -0.732 -15.593 18.080 14 H GLY 4 H GLY 4 -1.158 -13.073 13.554 15 HA2 GLY 4 1HA GLY 4 -1.148 -14.646 11.178 16 HA3 GLY 4 2HA GLY 4 -0.495 -13.024 11.351 17 H SER 5 H SER 5 1.239 -13.712 9.967 18 HA SER 5 HA SER 5 3.529 -14.554 11.429 19 HB2 SER 5 1HB SER 5 2.768 -16.784 11.174 20 HB3 SER 5 2HB SER 5 2.259 -16.504 9.509 21 HG SER 5 HG SER 5 4.921 -16.581 10.490 22 H SER 6 H SER 6 5.488 -14.475 10.149 23 HA SER 6 HA SER 6 5.364 -12.416 8.162 24 HB2 SER 6 1HB SER 6 7.530 -13.932 9.544 25 HB3 SER 6 2HB SER 6 7.925 -13.127 8.026 26 HG SER 6 HG SER 6 8.123 -11.419 9.229 27 H GLY 7 H GLY 7 6.118 -12.550 5.993 28 HA2 GLY 7 1HA GLY 7 5.436 -15.098 4.748 29 HA3 GLY 7 2HA GLY 7 5.654 -13.561 3.924 30 H ARG 8 H ARG 8 7.278 -13.680 2.535 31 HA ARG 8 HA ARG 8 9.887 -14.542 3.438 32 HB2 ARG 8 1HB ARG 8 8.524 -16.573 2.519 33 HB3 ARG 8 2HB ARG 8 8.866 -15.862 0.947 34 HG2 ARG 8 1HG ARG 8 11.281 -15.956 1.477 35 HG3 ARG 8 2HG ARG 8 10.881 -16.781 2.985 36 HD2 ARG 8 1HD ARG 8 9.904 -17.838 0.360 37 HD3 ARG 8 2HD ARG 8 11.544 -18.181 0.909 38 HE ARG 8 HE ARG 8 10.688 -19.572 2.540 39 HH11 ARG 8 2HH1 ARG 8 8.118 -17.803 0.996 40 HH12 ARG 8 1HH1 ARG 8 6.859 -18.763 1.700 41 HH21 ARG 8 2HH2 ARG 8 9.040 -20.842 3.474 42 HH22 ARG 8 1HH2 ARG 8 7.384 -20.490 3.110 43 H VAL 9 H VAL 9 11.577 -14.095 1.824 44 HA VAL 9 HA VAL 9 10.777 -11.887 0.043 45 HB VAL 9 HB VAL 9 13.035 -10.982 0.307 46 HG11 VAL 9 1HG1 VAL 9 12.494 -11.201 3.128 47 HG12 VAL 9 2HG1 VAL 9 12.306 -9.814 2.053 48 HG13 VAL 9 3HG1 VAL 9 10.999 -10.988 2.217 49 HG21 VAL 9 1HG2 VAL 9 13.475 -13.561 1.619 50 HG22 VAL 9 2HG2 VAL 9 14.621 -12.484 0.820 51 HG23 VAL 9 3HG2 VAL 9 14.147 -12.184 2.492 52 H GLU 10 H GLU 10 11.289 -11.989 -2.067 53 HA GLU 10 HA GLU 10 12.645 -14.407 -3.003 54 HB2 GLU 10 1HB GLU 10 11.611 -14.036 -5.114 55 HB3 GLU 10 2HB GLU 10 10.379 -13.754 -3.891 56 HG2 GLU 10 1HG GLU 10 11.978 -11.538 -5.136 57 HG3 GLU 10 2HG GLU 10 10.453 -12.118 -5.804 58 H THR 11 H THR 11 13.732 -13.854 -5.314 59 HA THR 11 HA THR 11 15.750 -11.797 -4.709 60 HB THR 11 HB THR 11 17.255 -13.037 -6.223 61 HG1 THR 11 1HG THR 11 15.043 -14.825 -6.372 62 HG21 THR 11 1HG2 THR 11 16.155 -14.996 -4.229 63 HG22 THR 11 2HG2 THR 11 16.987 -13.529 -3.712 64 HG23 THR 11 3HG2 THR 11 17.831 -14.721 -4.701 65 H GLN 12 H GLN 12 16.727 -10.715 -6.608 66 HA GLN 12 HA GLN 12 15.489 -10.692 -9.136 67 HB2 GLN 12 1HB GLN 12 14.442 -8.408 -8.962 68 HB3 GLN 12 2HB GLN 12 13.586 -9.690 -8.115 69 HG2 GLN 12 1HG GLN 12 14.429 -8.950 -6.005 70 HG3 GLN 12 2HG GLN 12 15.498 -7.786 -6.786 71 HE21 GLN 12 1HE2 GLN 12 14.126 -6.609 -5.011 72 HE22 GLN 12 2HE2 GLN 12 12.742 -5.774 -5.620 73 HA PRO 13 HA PRO 13 19.261 -8.606 -10.006 74 HB2 PRO 13 1HB PRO 13 18.658 -7.581 -12.447 75 HB3 PRO 13 2HB PRO 13 18.974 -9.299 -12.178 76 HG2 PRO 13 1HG PRO 13 16.355 -7.871 -12.426 77 HG3 PRO 13 2HG PRO 13 16.856 -9.421 -13.129 78 HD2 PRO 13 1HD PRO 13 15.316 -9.258 -10.907 79 HD3 PRO 13 2HD PRO 13 16.478 -10.574 -11.170 80 H GLU 14 H GLU 14 20.062 -6.414 -10.797 81 HA GLU 14 HA GLU 14 18.555 -4.348 -9.385 82 HB2 GLU 14 1HB GLU 14 20.626 -3.034 -9.515 83 HB3 GLU 14 2HB GLU 14 20.905 -4.611 -8.789 84 HG2 GLU 14 1HG GLU 14 21.589 -5.343 -11.158 85 HG3 GLU 14 2HG GLU 14 21.712 -3.616 -11.490 86 H VAL 15 H VAL 15 17.563 -2.695 -10.366 87 HA VAL 15 HA VAL 15 18.211 -2.065 -13.149 88 HB VAL 15 HB VAL 15 15.325 -2.263 -12.370 89 HG11 VAL 15 1HG1 VAL 15 16.914 -2.041 -14.876 90 HG12 VAL 15 2HG1 VAL 15 15.352 -2.859 -14.934 91 HG13 VAL 15 3HG1 VAL 15 15.452 -1.185 -14.386 92 HG21 VAL 15 1HG2 VAL 15 15.268 -4.527 -13.365 93 HG22 VAL 15 2HG2 VAL 15 17.031 -4.518 -13.420 94 HG23 VAL 15 3HG2 VAL 15 16.198 -4.458 -11.867 95 H GLN 16 H GLN 16 17.061 -0.036 -13.864 96 HA GLN 16 HA GLN 16 17.413 1.971 -11.825 97 HB2 GLN 16 1HB GLN 16 16.843 3.546 -13.718 98 HB3 GLN 16 2HB GLN 16 18.261 2.536 -13.969 99 HG2 GLN 16 1HG GLN 16 15.652 1.548 -14.977 100 HG3 GLN 16 2HG GLN 16 16.430 2.875 -15.838 101 HE21 GLN 16 1HE2 GLN 16 15.957 0.325 -16.918 102 HE22 GLN 16 2HE2 GLN 16 17.484 -0.414 -17.244 103 H LEU 17 H LEU 17 15.349 0.378 -11.048 104 HA LEU 17 HA LEU 17 12.818 1.476 -11.859 105 HB2 LEU 17 1HB LEU 17 13.754 -0.607 -9.969 106 HB3 LEU 17 2HB LEU 17 12.182 0.124 -9.651 107 HG LEU 17 HG LEU 17 11.209 -0.835 -11.491 108 HD11 LEU 17 1HD1 LEU 17 13.886 -0.516 -12.691 109 HD12 LEU 17 2HD1 LEU 17 12.288 -0.219 -13.375 110 HD13 LEU 17 3HD1 LEU 17 12.916 -1.865 -13.285 111 HD21 LEU 17 1HD2 LEU 17 11.432 -2.866 -10.609 112 HD22 LEU 17 2HD2 LEU 17 13.088 -2.540 -10.099 113 HD23 LEU 17 3HD2 LEU 17 12.767 -3.119 -11.734 114 HA PRO 18 HA PRO 18 12.331 4.736 -8.964 115 HB2 PRO 18 1HB PRO 18 9.739 4.471 -8.198 116 HB3 PRO 18 2HB PRO 18 10.214 5.045 -9.802 117 HG2 PRO 18 1HG PRO 18 9.337 2.312 -8.950 118 HG3 PRO 18 2HG PRO 18 8.883 3.233 -10.397 119 HD2 PRO 18 1HD PRO 18 10.740 1.262 -10.447 120 HD3 PRO 18 2HD PRO 18 10.825 2.681 -11.510 121 H GLY 19 H GLY 19 11.592 5.266 -6.694 122 HA2 GLY 19 1HA GLY 19 12.344 3.034 -4.932 123 HA3 GLY 19 2HA GLY 19 12.489 4.740 -4.536 124 HA PRO 20 HA PRO 20 8.566 2.848 -2.718 125 HB2 PRO 20 1HB PRO 20 9.247 3.137 -0.106 126 HB3 PRO 20 2HB PRO 20 9.629 1.688 -1.044 127 HG2 PRO 20 1HG PRO 20 11.380 4.018 -0.362 128 HG3 PRO 20 2HG PRO 20 11.762 2.286 -0.337 129 HD2 PRO 20 1HD PRO 20 12.508 3.914 -2.368 130 HD3 PRO 20 2HD PRO 20 12.108 2.202 -2.615 131 H ALA 21 H ALA 21 6.919 4.223 -2.501 132 HA ALA 21 HA ALA 21 7.159 6.986 -2.514 133 HB1 ALA 21 1HB ALA 21 4.727 6.905 -1.671 134 HB2 ALA 21 2HB ALA 21 5.104 6.160 -3.224 135 HB3 ALA 21 3HB ALA 21 4.902 5.154 -1.789 136 HA PRO 22 HA PRO 22 8.416 7.620 1.734 137 HB2 PRO 22 1HB PRO 22 8.741 10.305 1.499 138 HB3 PRO 22 2HB PRO 22 9.931 9.138 0.909 139 HG2 PRO 22 1HG PRO 22 7.817 10.620 -0.607 140 HG3 PRO 22 2HG PRO 22 9.505 10.311 -1.053 141 HD2 PRO 22 1HD PRO 22 7.447 8.862 -2.050 142 HD3 PRO 22 2HD PRO 22 9.056 8.167 -1.768 143 H ASN 23 H ASN 23 7.770 9.467 3.367 144 HA ASN 23 HA ASN 23 6.055 10.031 4.787 145 HB2 ASN 23 1HB ASN 23 5.094 11.329 2.227 146 HB3 ASN 23 2HB ASN 23 4.602 11.781 3.856 147 HD21 ASN 23 1HD2 ASN 23 5.728 13.564 2.047 148 HD22 ASN 23 2HD2 ASN 23 7.271 14.060 2.645 149 H LEU 24 H LEU 24 5.630 7.470 4.096 150 HA LEU 24 HA LEU 24 3.042 7.047 2.938 151 HB2 LEU 24 1HB LEU 24 4.927 5.410 2.864 152 HB3 LEU 24 2HB LEU 24 4.688 5.137 4.588 153 HG LEU 24 HG LEU 24 2.465 4.239 4.154 154 HD11 LEU 24 1HD1 LEU 24 2.991 5.330 1.479 155 HD12 LEU 24 2HD1 LEU 24 1.465 5.077 2.327 156 HD13 LEU 24 3HD1 LEU 24 2.251 3.728 1.505 157 HD21 LEU 24 1HD2 LEU 24 4.206 2.627 4.192 158 HD22 LEU 24 2HD2 LEU 24 4.718 3.041 2.556 159 HD23 LEU 24 3HD2 LEU 24 3.174 2.228 2.819 160 H ARG 25 H ARG 25 1.374 7.924 4.031 161 HA ARG 25 HA ARG 25 0.991 7.037 6.810 162 HB2 ARG 25 1HB ARG 25 -0.304 9.363 6.923 163 HB3 ARG 25 2HB ARG 25 1.407 9.225 7.303 164 HG2 ARG 25 1HG ARG 25 1.641 9.701 4.708 165 HG3 ARG 25 2HG ARG 25 0.073 10.467 4.968 166 HD2 ARG 25 1HD ARG 25 2.345 11.057 6.816 167 HD3 ARG 25 2HD ARG 25 2.268 11.849 5.243 168 HE ARG 25 HE ARG 25 -0.197 12.277 6.264 169 HH11 ARG 25 2HH1 ARG 25 3.019 12.792 7.496 170 HH12 ARG 25 1HH1 ARG 25 2.568 14.150 8.472 171 HH21 ARG 25 2HH2 ARG 25 -0.803 14.064 7.545 172 HH22 ARG 25 1HH2 ARG 25 0.394 14.873 8.500 173 H ALA 26 H ALA 26 -0.961 6.197 7.251 174 HA ALA 26 HA ALA 26 -3.145 6.636 5.331 175 HB1 ALA 26 1HB ALA 26 -2.846 3.937 6.547 176 HB2 ALA 26 2HB ALA 26 -3.561 4.411 5.006 177 HB3 ALA 26 3HB ALA 26 -1.807 4.370 5.188 178 H TYR 27 H TYR 27 -5.088 7.018 6.226 179 HA TYR 27 HA TYR 27 -5.460 6.412 9.078 180 HB2 TYR 27 1HB TYR 27 -6.672 8.615 9.275 181 HB3 TYR 27 2HB TYR 27 -4.931 8.742 9.049 182 HD1 TYR 27 1HD TYR 27 -8.179 8.975 7.268 183 HD2 TYR 27 2HD TYR 27 -4.038 9.951 7.239 184 HE1 TYR 27 1HE TYR 27 -8.545 10.447 5.332 185 HE2 TYR 27 2HE TYR 27 -4.393 11.427 5.304 186 HH TYR 27 HH TYR 27 -6.009 11.690 3.463 187 H ALA 28 H ALA 28 -7.437 5.659 9.636 188 HA ALA 28 HA ALA 28 -9.194 4.809 7.543 189 HB1 ALA 28 1HB ALA 28 -10.586 3.961 9.468 190 HB2 ALA 28 2HB ALA 28 -8.939 3.333 9.376 191 HB3 ALA 28 3HB ALA 28 -9.338 4.597 10.540 192 H ALA 29 H ALA 29 -10.493 6.217 6.558 193 HA ALA 29 HA ALA 29 -11.428 8.618 7.778 194 HB1 ALA 29 1HB ALA 29 -12.536 9.057 5.723 195 HB2 ALA 29 2HB ALA 29 -10.998 8.291 5.325 196 HB3 ALA 29 3HB ALA 29 -12.491 7.355 5.261 197 H SER 30 H SER 30 -12.684 5.392 7.446 198 HA SER 30 HA SER 30 -14.905 6.074 9.187 199 HB2 SER 30 1HB SER 30 -15.224 5.332 6.324 200 HB3 SER 30 2HB SER 30 -16.348 4.605 7.472 201 HG SER 30 HG SER 30 -15.833 7.387 7.397 202 HA PRO 31 HA PRO 31 -14.274 2.053 10.821 203 HB2 PRO 31 1HB PRO 31 -16.795 1.255 11.435 204 HB3 PRO 31 2HB PRO 31 -15.936 2.507 12.341 205 HG2 PRO 31 1HG PRO 31 -18.000 2.802 10.192 206 HG3 PRO 31 2HG PRO 31 -17.840 3.689 11.719 207 HD2 PRO 31 1HD PRO 31 -17.024 4.710 9.347 208 HD3 PRO 31 2HD PRO 31 -16.212 5.088 10.880 209 H THR 32 H THR 32 -15.687 2.481 7.857 210 HA THR 32 HA THR 32 -15.719 -0.420 7.356 211 HB THR 32 HB THR 32 -17.545 -0.130 5.748 212 HG1 THR 32 1HG THR 32 -17.173 2.560 6.432 213 HG21 THR 32 1HG2 THR 32 -18.116 -0.729 8.044 214 HG22 THR 32 2HG2 THR 32 -19.362 0.305 7.345 215 HG23 THR 32 3HG2 THR 32 -18.194 0.977 8.482 216 H SER 33 H SER 33 -14.269 2.455 6.695 217 HA SER 33 HA SER 33 -13.161 1.417 4.194 218 HB2 SER 33 1HB SER 33 -13.546 3.345 2.941 219 HB3 SER 33 2HB SER 33 -15.045 3.195 3.856 220 HG SER 33 HG SER 33 -12.859 4.925 4.348 221 H ILE 34 H ILE 34 -11.262 2.933 3.505 222 HA ILE 34 HA ILE 34 -9.874 4.141 5.750 223 HB ILE 34 HB ILE 34 -8.791 1.709 4.329 224 HG12 ILE 34 1HG1 ILE 34 -9.161 2.258 7.280 225 HG13 ILE 34 2HG1 ILE 34 -10.317 1.371 6.292 226 HG21 ILE 34 1HG2 ILE 34 -7.415 3.930 5.696 227 HG22 ILE 34 2HG2 ILE 34 -6.883 2.305 6.127 228 HG23 ILE 34 3HG2 ILE 34 -6.836 2.832 4.444 229 HD11 ILE 34 1HD1 ILE 34 -9.106 -0.500 6.362 230 HD12 ILE 34 2HD1 ILE 34 -7.585 0.359 6.116 231 HD13 ILE 34 3HD1 ILE 34 -8.293 0.263 7.728 232 H THR 35 H THR 35 -8.660 5.816 5.112 233 HA THR 35 HA THR 35 -8.273 6.192 2.223 234 HB THR 35 HB THR 35 -8.277 8.228 4.459 235 HG1 THR 35 1HG THR 35 -10.073 8.223 2.297 236 HG21 THR 35 1HG2 THR 35 -8.501 9.537 2.015 237 HG22 THR 35 2HG2 THR 35 -7.227 8.344 1.760 238 HG23 THR 35 3HG2 THR 35 -7.090 9.515 3.071 239 H VAL 36 H VAL 36 -6.343 5.234 1.777 240 HA VAL 36 HA VAL 36 -4.041 5.703 3.486 241 HB VAL 36 HB VAL 36 -4.104 4.214 0.862 242 HG11 VAL 36 1HG1 VAL 36 -2.112 4.638 3.004 243 HG12 VAL 36 2HG1 VAL 36 -2.213 3.011 2.329 244 HG13 VAL 36 3HG1 VAL 36 -1.884 4.387 1.274 245 HG21 VAL 36 1HG2 VAL 36 -5.759 3.355 2.548 246 HG22 VAL 36 2HG2 VAL 36 -4.528 2.196 2.047 247 HG23 VAL 36 3HG2 VAL 36 -4.392 3.008 3.607 248 H THR 37 H THR 37 -2.331 6.990 3.024 249 HA THR 37 HA THR 37 -2.386 8.461 0.471 250 HB THR 37 HB THR 37 -2.062 10.503 1.463 251 HG1 THR 37 1HG THR 37 -0.731 9.011 3.425 252 HG21 THR 37 1HG2 THR 37 -4.146 9.117 2.434 253 HG22 THR 37 2HG2 THR 37 -3.813 10.791 2.881 254 HG23 THR 37 3HG2 THR 37 -3.308 9.476 3.943 255 H TRP 38 H TRP 38 -0.323 9.263 -0.261 256 HA TRP 38 HA TRP 38 2.098 8.447 1.031 257 HB2 TRP 38 1HB TRP 38 2.860 6.933 -0.792 258 HB3 TRP 38 2HB TRP 38 1.499 6.286 0.121 259 HD1 TRP 38 HD TRP 38 2.461 7.525 -3.346 260 HE1 TRP 38 1HE TRP 38 0.569 6.950 -4.993 261 HE3 TRP 38 3HE TRP 38 -1.067 5.935 -0.005 262 HZ2 TRP 38 2HZ TRP 38 -2.071 5.956 -4.889 263 HZ3 TRP 38 3HZ TRP 38 -3.250 5.189 -0.861 264 HH2 TRP 38 HH TRP 38 -3.740 5.201 -3.253 265 H GLU 39 H GLU 39 4.015 9.131 -0.146 266 HA GLU 39 HA GLU 39 3.403 11.334 -2.000 267 HB2 GLU 39 1HB GLU 39 5.407 10.985 0.167 268 HB3 GLU 39 2HB GLU 39 5.903 11.911 -1.242 269 HG2 GLU 39 1HG GLU 39 3.716 12.501 0.714 270 HG3 GLU 39 2HG GLU 39 5.096 13.498 0.261 271 H THR 40 H THR 40 5.155 11.826 -3.591 272 HA THR 40 HA THR 40 5.889 9.377 -4.957 273 HB THR 40 HB THR 40 6.215 12.271 -5.774 274 HG1 THR 40 1HG THR 40 4.378 11.949 -6.915 275 HG21 THR 40 1HG2 THR 40 7.715 10.219 -6.726 276 HG22 THR 40 2HG2 THR 40 7.264 11.638 -7.671 277 HG23 THR 40 3HG2 THR 40 6.328 10.150 -7.812 278 HA PRO 41 HA PRO 41 10.030 9.321 -3.405 279 HB2 PRO 41 1HB PRO 41 11.046 7.536 -5.181 280 HB3 PRO 41 2HB PRO 41 9.990 7.066 -3.843 281 HG2 PRO 41 1HG PRO 41 9.313 7.505 -6.726 282 HG3 PRO 41 2HG PRO 41 8.778 6.213 -5.635 283 HD2 PRO 41 1HD PRO 41 7.227 8.351 -6.233 284 HD3 PRO 41 2HD PRO 41 7.164 7.536 -4.657 285 H VAL 42 H VAL 42 11.138 11.164 -3.771 286 HA VAL 42 HA VAL 42 11.472 12.577 -6.089 287 HB VAL 42 HB VAL 42 13.425 13.612 -5.119 288 HG11 VAL 42 1HG1 VAL 42 11.273 14.214 -4.158 289 HG12 VAL 42 2HG1 VAL 42 11.406 12.893 -2.995 290 HG13 VAL 42 3HG1 VAL 42 12.533 14.248 -2.925 291 HG21 VAL 42 1HG2 VAL 42 14.306 12.670 -2.925 292 HG22 VAL 42 2HG2 VAL 42 13.470 11.178 -3.355 293 HG23 VAL 42 3HG2 VAL 42 14.748 11.804 -4.396 294 H SER 43 H SER 43 13.431 9.870 -4.930 295 HA SER 43 HA SER 43 15.337 9.999 -7.040 296 HB2 SER 43 1HB SER 43 14.626 7.897 -5.003 297 HB3 SER 43 2HB SER 43 15.825 7.591 -6.259 298 HG SER 43 HG SER 43 16.591 9.830 -5.347 299 H GLY 44 H GLY 44 15.679 7.933 -8.430 300 HA2 GLY 44 1HA GLY 44 14.459 6.101 -9.555 301 HA3 GLY 44 2HA GLY 44 13.072 7.179 -9.601 302 H ASN 45 H ASN 45 13.190 6.560 -11.927 303 HA ASN 45 HA ASN 45 14.828 8.528 -13.352 304 HB2 ASN 45 1HB ASN 45 15.859 6.187 -13.418 305 HB3 ASN 45 2HB ASN 45 14.478 5.725 -14.408 306 HD21 ASN 45 1HD2 ASN 45 17.536 7.178 -14.344 307 HD22 ASN 45 2HD2 ASN 45 17.596 7.687 -15.993 308 H GLY 46 H GLY 46 13.683 9.678 -14.775 309 HA2 GLY 46 1HA GLY 46 12.037 10.238 -16.295 310 HA3 GLY 46 2HA GLY 46 11.518 8.560 -16.285 311 H GLU 47 H GLU 47 9.331 9.088 -16.218 312 HA GLU 47 HA GLU 47 8.425 10.267 -13.672 313 HB2 GLU 47 1HB GLU 47 7.963 11.617 -15.767 314 HB3 GLU 47 2HB GLU 47 6.888 10.320 -16.268 315 HG2 GLU 47 1HG GLU 47 5.326 10.804 -14.667 316 HG3 GLU 47 2HG GLU 47 6.504 11.544 -13.585 317 H ILE 48 H ILE 48 6.634 9.338 -12.653 318 HA ILE 48 HA ILE 48 6.389 6.516 -12.997 319 HB ILE 48 HB ILE 48 4.596 8.264 -11.318 320 HG12 ILE 48 1HG1 ILE 48 7.036 8.700 -10.901 321 HG13 ILE 48 2HG1 ILE 48 6.163 8.067 -9.510 322 HG21 ILE 48 1HG2 ILE 48 4.636 5.513 -11.820 323 HG22 ILE 48 2HG2 ILE 48 5.321 5.714 -10.208 324 HG23 ILE 48 3HG2 ILE 48 3.723 6.362 -10.573 325 HD11 ILE 48 1HD1 ILE 48 7.579 6.163 -11.299 326 HD12 ILE 48 2HD1 ILE 48 8.513 7.137 -10.163 327 HD13 ILE 48 3HD1 ILE 48 7.249 6.059 -9.570 328 H GLN 49 H GLN 49 4.839 5.339 -13.977 329 HA GLN 49 HA GLN 49 3.031 6.701 -15.761 330 HB2 GLN 49 1HB GLN 49 3.790 3.844 -15.280 331 HB3 GLN 49 2HB GLN 49 2.342 4.214 -16.207 332 HG2 GLN 49 1HG GLN 49 3.614 5.407 -17.842 333 HG3 GLN 49 2HG GLN 49 5.077 5.273 -16.868 334 HE21 GLN 49 1HE2 GLN 49 5.308 4.461 -19.361 335 HE22 GLN 49 2HE2 GLN 49 5.339 2.737 -19.479 336 H ASN 50 H ASN 50 2.721 4.534 -12.965 337 HA ASN 50 HA ASN 50 0.234 5.772 -12.219 338 HB2 ASN 50 1HB ASN 50 -1.163 3.805 -12.353 339 HB3 ASN 50 2HB ASN 50 -0.476 4.114 -13.945 340 HD21 ASN 50 1HD2 ASN 50 -0.436 2.042 -11.156 341 HD22 ASN 50 2HD2 ASN 50 0.428 0.737 -11.888 342 H TYR 51 H TYR 51 -0.652 4.776 -10.192 343 HA TYR 51 HA TYR 51 1.552 3.698 -8.559 344 HB2 TYR 51 1HB TYR 51 -0.682 5.586 -7.808 345 HB3 TYR 51 2HB TYR 51 0.353 4.796 -6.624 346 HD1 TYR 51 1HD TYR 51 2.796 5.315 -6.588 347 HD2 TYR 51 2HD TYR 51 0.062 7.492 -9.014 348 HE1 TYR 51 1HE TYR 51 4.451 7.118 -6.823 349 HE2 TYR 51 2HE TYR 51 1.710 9.302 -9.257 350 HH TYR 51 HH TYR 51 4.469 9.546 -7.327 351 H LYS 52 H LYS 52 1.252 1.666 -7.968 352 HA LYS 52 HA LYS 52 -1.428 0.524 -7.968 353 HB2 LYS 52 1HB LYS 52 0.681 -0.558 -9.003 354 HB3 LYS 52 2HB LYS 52 1.103 -0.976 -7.348 355 HG2 LYS 52 1HG LYS 52 0.021 -2.874 -8.064 356 HG3 LYS 52 2HG LYS 52 -1.284 -1.991 -7.267 357 HD2 LYS 52 1HD LYS 52 -2.294 -2.604 -9.245 358 HD3 LYS 52 2HD LYS 52 -1.677 -1.002 -9.656 359 HE2 LYS 52 1HE LYS 52 0.431 -2.316 -10.437 360 HE3 LYS 52 2HE LYS 52 -0.667 -3.695 -10.477 361 HZ1 LYS 52 1HZ LYS 52 -0.555 -2.622 -12.627 362 HZ2 LYS 52 2HZ LYS 52 -1.027 -1.144 -11.954 363 HZ3 LYS 52 3HZ LYS 52 -2.106 -2.446 -11.976 364 H LEU 53 H LEU 53 -2.595 0.482 -6.173 365 HA LEU 53 HA LEU 53 -1.206 0.522 -3.580 366 HB2 LEU 53 1HB LEU 53 -2.574 2.417 -3.722 367 HB3 LEU 53 2HB LEU 53 -3.891 1.516 -4.470 368 HG LEU 53 HG LEU 53 -4.104 0.308 -2.226 369 HD11 LEU 53 1HD1 LEU 53 -2.078 0.875 -1.154 370 HD12 LEU 53 2HD1 LEU 53 -3.344 1.761 -0.306 371 HD13 LEU 53 3HD1 LEU 53 -2.308 2.596 -1.463 372 HD21 LEU 53 1HD2 LEU 53 -5.845 1.744 -2.771 373 HD22 LEU 53 2HD2 LEU 53 -4.811 3.173 -2.739 374 HD23 LEU 53 3HD2 LEU 53 -5.273 2.385 -1.230 375 H TYR 54 H TYR 54 -1.237 -1.266 -2.403 376 HA TYR 54 HA TYR 54 -3.207 -3.346 -3.051 377 HB2 TYR 54 1HB TYR 54 -0.550 -3.524 -1.618 378 HB3 TYR 54 2HB TYR 54 -1.644 -4.881 -1.863 379 HD1 TYR 54 2HD TYR 54 -0.220 -2.161 -4.008 380 HD2 TYR 54 1HD TYR 54 -0.967 -6.322 -3.520 381 HE1 TYR 54 2HE TYR 54 0.819 -2.598 -6.194 382 HE2 TYR 54 1HE TYR 54 0.071 -6.770 -5.704 383 HH TYR 54 HH TYR 54 1.921 -5.421 -7.174 384 H TYR 55 H TYR 55 -4.174 -4.562 -1.316 385 HA TYR 55 HA TYR 55 -4.039 -3.547 1.375 386 HB2 TYR 55 1HB TYR 55 -6.334 -2.825 1.560 387 HB3 TYR 55 2HB TYR 55 -5.574 -1.935 0.245 388 HD1 TYR 55 1HD TYR 55 -5.948 -2.853 -2.145 389 HD2 TYR 55 2HD TYR 55 -8.346 -3.940 1.198 390 HE1 TYR 55 1HE TYR 55 -7.741 -3.565 -3.671 391 HE2 TYR 55 2HE TYR 55 -10.145 -4.657 -0.319 392 HH TYR 55 HH TYR 55 -9.997 -4.058 -3.757 393 H MET 56 H MET 56 -4.520 -5.109 2.805 394 HA MET 56 HA MET 56 -6.303 -7.281 2.101 395 HB2 MET 56 1HB MET 56 -4.798 -9.013 2.076 396 HB3 MET 56 2HB MET 56 -3.810 -7.745 1.362 397 HG2 MET 56 1HG MET 56 -3.041 -7.298 3.783 398 HG3 MET 56 2HG MET 56 -3.692 -8.902 4.114 399 HE1 MET 56 1HE MET 56 -0.516 -10.162 4.403 400 HE2 MET 56 2HE MET 56 -2.250 -10.226 4.714 401 HE3 MET 56 3HE MET 56 -1.538 -11.256 3.471 402 H GLU 57 H GLU 57 -6.734 -8.716 3.945 403 HA GLU 57 HA GLU 57 -6.733 -7.183 6.418 404 HB2 GLU 57 1HB GLU 57 -8.831 -8.194 5.685 405 HB3 GLU 57 2HB GLU 57 -8.087 -9.787 5.695 406 HG2 GLU 57 1HG GLU 57 -7.834 -9.717 8.080 407 HG3 GLU 57 2HG GLU 57 -8.404 -8.049 8.130 408 H LYS 58 H LYS 58 -5.575 -7.656 8.192 409 HA LYS 58 HA LYS 58 -3.307 -9.269 8.068 410 HB2 LYS 58 1HB LYS 58 -4.066 -7.363 9.746 411 HB3 LYS 58 2HB LYS 58 -4.579 -8.738 10.715 412 HG2 LYS 58 1HG LYS 58 -2.472 -8.494 11.514 413 HG3 LYS 58 2HG LYS 58 -2.132 -9.577 10.162 414 HD2 LYS 58 1HD LYS 58 -1.547 -7.652 8.768 415 HD3 LYS 58 2HD LYS 58 -1.896 -6.567 10.117 416 HE2 LYS 58 1HE LYS 58 0.459 -6.866 10.061 417 HE3 LYS 58 2HE LYS 58 -0.143 -7.804 11.427 418 HZ1 LYS 58 1HZ LYS 58 1.363 -8.694 9.242 419 HZ2 LYS 58 2HZ LYS 58 -0.147 -9.450 9.168 420 HZ3 LYS 58 3HZ LYS 58 0.801 -9.591 10.561 421 H GLY 59 H GLY 59 -3.607 -11.377 7.503 422 HA2 GLY 59 1HA GLY 59 -3.687 -13.553 8.656 423 HA3 GLY 59 2HA GLY 59 -5.186 -13.009 9.395 424 H THR 60 H THR 60 -4.206 -12.648 6.019 425 HA THR 60 HA THR 60 -6.373 -14.497 5.265 426 HB THR 60 HB THR 60 -5.710 -12.184 3.493 427 HG1 THR 60 1HG THR 60 -6.353 -10.844 4.994 428 HG21 THR 60 1HG2 THR 60 -8.195 -12.396 3.065 429 HG22 THR 60 2HG2 THR 60 -8.154 -13.852 4.061 430 HG23 THR 60 3HG2 THR 60 -7.213 -13.774 2.572 431 H ASP 61 H ASP 61 -3.196 -13.222 4.621 432 HA ASP 61 HA ASP 61 -1.447 -14.022 3.403 433 HB2 ASP 61 1HB ASP 61 -2.326 -16.214 4.446 434 HB3 ASP 61 2HB ASP 61 -3.016 -16.531 2.857 435 H LYS 62 H LYS 62 -3.599 -12.525 2.158 436 HA LYS 62 HA LYS 62 -2.942 -13.122 -0.606 437 HB2 LYS 62 1HB LYS 62 -5.659 -13.460 0.558 438 HB3 LYS 62 2HB LYS 62 -5.550 -12.715 -1.031 439 HG2 LYS 62 1HG LYS 62 -4.097 -15.264 -0.509 440 HG3 LYS 62 2HG LYS 62 -5.838 -15.293 -0.796 441 HD2 LYS 62 1HD LYS 62 -5.437 -14.014 -2.902 442 HD3 LYS 62 2HD LYS 62 -3.704 -14.206 -2.629 443 HE2 LYS 62 1HE LYS 62 -4.140 -15.978 -4.031 444 HE3 LYS 62 2HE LYS 62 -4.305 -16.740 -2.450 445 HZ1 LYS 62 1HZ LYS 62 -6.373 -17.285 -2.958 446 HZ2 LYS 62 2HZ LYS 62 -6.204 -16.583 -4.487 447 HZ3 LYS 62 3HZ LYS 62 -6.785 -15.661 -3.194 448 H GLU 63 H GLU 63 -2.240 -11.247 -1.369 449 HA GLU 63 HA GLU 63 -3.336 -8.754 -0.299 450 HB2 GLU 63 1HB GLU 63 -0.805 -9.310 -0.522 451 HB3 GLU 63 2HB GLU 63 -1.036 -8.921 -2.221 452 HG2 GLU 63 1HG GLU 63 -0.361 -6.900 -1.411 453 HG3 GLU 63 2HG GLU 63 -2.111 -6.738 -1.267 454 H GLN 64 H GLN 64 -4.027 -7.057 -1.678 455 HA GLN 64 HA GLN 64 -4.925 -7.984 -4.327 456 HB2 GLN 64 1HB GLN 64 -6.249 -6.160 -2.328 457 HB3 GLN 64 2HB GLN 64 -6.740 -6.210 -4.016 458 HG2 GLN 64 1HG GLN 64 -7.227 -8.607 -3.783 459 HG3 GLN 64 2HG GLN 64 -6.788 -8.512 -2.078 460 HE21 GLN 64 1HE2 GLN 64 -8.446 -8.361 -0.766 461 HE22 GLN 64 2HE2 GLN 64 -9.967 -7.621 -1.117 462 H ASP 65 H ASP 65 -5.605 -5.855 -5.648 463 HA ASP 65 HA ASP 65 -3.654 -3.726 -5.329 464 HB2 ASP 65 1HB ASP 65 -2.490 -4.035 -7.315 465 HB3 ASP 65 2HB ASP 65 -2.693 -5.692 -6.753 466 H VAL 66 H VAL 66 -4.352 -1.806 -6.126 467 HA VAL 66 HA VAL 66 -6.747 -1.804 -7.832 468 HB VAL 66 HB VAL 66 -7.531 0.215 -6.494 469 HG11 VAL 66 1HG1 VAL 66 -7.845 -2.587 -6.039 470 HG12 VAL 66 2HG1 VAL 66 -7.941 -1.733 -4.498 471 HG13 VAL 66 3HG1 VAL 66 -9.018 -1.288 -5.822 472 HG21 VAL 66 1HG2 VAL 66 -6.180 -0.815 -4.100 473 HG22 VAL 66 2HG2 VAL 66 -5.126 0.009 -5.249 474 HG23 VAL 66 3HG2 VAL 66 -6.528 0.845 -4.582 475 H ASP 67 H ASP 67 -6.979 -0.009 -9.191 476 HA ASP 67 HA ASP 67 -4.481 1.296 -9.855 477 HB2 ASP 67 1HB ASP 67 -6.193 0.321 -11.520 478 HB3 ASP 67 2HB ASP 67 -7.121 1.787 -11.215 479 H VAL 68 H VAL 68 -3.898 3.241 -9.168 480 HA VAL 68 HA VAL 68 -5.991 5.151 -8.369 481 HB VAL 68 HB VAL 68 -3.365 4.911 -6.912 482 HG11 VAL 68 1HG1 VAL 68 -5.955 6.137 -5.995 483 HG12 VAL 68 2HG1 VAL 68 -4.349 6.326 -5.290 484 HG13 VAL 68 3HG1 VAL 68 -4.715 7.047 -6.857 485 HG21 VAL 68 1HG2 VAL 68 -4.958 3.910 -5.093 486 HG22 VAL 68 2HG2 VAL 68 -5.928 3.440 -6.489 487 HG23 VAL 68 3HG2 VAL 68 -4.266 2.870 -6.338 488 H SER 69 H SER 69 -5.793 7.112 -9.243 489 HA SER 69 HA SER 69 -3.390 7.686 -10.811 490 HB2 SER 69 1HB SER 69 -6.209 8.728 -10.857 491 HB3 SER 69 2HB SER 69 -4.909 9.636 -11.627 492 HG SER 69 HG SER 69 -5.440 8.349 -13.234 493 H SER 70 H SER 70 -5.053 8.668 -7.958 494 HA SER 70 HA SER 70 -3.436 11.108 -7.749 495 HB2 SER 70 1HB SER 70 -6.037 10.938 -7.320 496 HB3 SER 70 2HB SER 70 -5.519 10.378 -5.729 497 HG SER 70 HG SER 70 -4.796 12.321 -5.265 498 H HIS 71 H HIS 71 -2.581 11.603 -5.533 499 HA HIS 71 HA HIS 71 -1.047 9.336 -4.608 500 HB2 HIS 71 1HB HIS 71 -1.053 12.242 -3.770 501 HB3 HIS 71 2HB HIS 71 0.050 11.028 -3.128 502 HD1 HIS 71 1HD HIS 71 -0.251 13.475 -5.762 503 HD2 HIS 71 2HD HIS 71 1.729 9.856 -5.272 504 HE1 HIS 71 1HE HIS 71 1.529 13.437 -7.538 505 HE2 HIS 71 2HE HIS 71 2.658 11.201 -7.276 506 H SER 72 H SER 72 -4.069 9.921 -4.063 507 HA SER 72 HA SER 72 -4.000 8.873 -1.356 508 HB2 SER 72 1HB SER 72 -5.695 10.555 -0.575 509 HB3 SER 72 2HB SER 72 -4.094 11.232 -0.876 510 HG SER 72 HG SER 72 -5.136 12.576 -2.109 511 H TYR 73 H TYR 73 -5.282 7.162 -1.385 512 HA TYR 73 HA TYR 73 -7.746 7.272 -2.997 513 HB2 TYR 73 1HB TYR 73 -6.032 5.782 -4.001 514 HB3 TYR 73 2HB TYR 73 -6.023 4.832 -2.520 515 HD1 TYR 73 2HD TYR 73 -8.028 5.780 -5.463 516 HD2 TYR 73 1HD TYR 73 -7.757 3.253 -2.051 517 HE1 TYR 73 2HE TYR 73 -9.877 4.413 -6.336 518 HE2 TYR 73 1HE TYR 73 -9.604 1.878 -2.915 519 HH TYR 73 HH TYR 73 -10.530 1.588 -5.708 520 H THR 74 H THR 74 -9.501 5.924 -2.227 521 HA THR 74 HA THR 74 -9.349 5.343 0.658 522 HB THR 74 HB THR 74 -11.743 6.527 -0.759 523 HG1 THR 74 1HG THR 74 -9.668 7.830 -0.174 524 HG21 THR 74 1HG2 THR 74 -11.333 6.324 2.207 525 HG22 THR 74 2HG2 THR 74 -12.036 4.989 1.293 526 HG23 THR 74 3HG2 THR 74 -12.831 6.563 1.308 527 H ILE 75 H ILE 75 -9.781 3.291 1.099 528 HA ILE 75 HA ILE 75 -11.213 1.680 -0.887 529 HB ILE 75 HB ILE 75 -9.489 0.873 1.455 530 HG12 ILE 75 1HG1 ILE 75 -9.066 0.309 -1.477 531 HG13 ILE 75 2HG1 ILE 75 -8.446 1.764 -0.704 532 HG21 ILE 75 1HG2 ILE 75 -11.341 -0.697 -0.257 533 HG22 ILE 75 2HG2 ILE 75 -9.808 -1.433 0.206 534 HG23 ILE 75 3HG2 ILE 75 -10.937 -0.892 1.448 535 HD11 ILE 75 1HD1 ILE 75 -7.802 -0.977 0.322 536 HD12 ILE 75 2HD1 ILE 75 -6.858 -0.195 -0.946 537 HD13 ILE 75 3HD1 ILE 75 -6.977 0.547 0.649 538 H ASN 76 H ASN 76 -13.266 1.160 -0.571 539 HA ASN 76 HA ASN 76 -14.365 1.351 2.152 540 HB2 ASN 76 1HB ASN 76 -15.775 1.538 -0.520 541 HB3 ASN 76 2HB ASN 76 -16.563 1.642 1.052 542 HD21 ASN 76 1HD2 ASN 76 -14.166 3.171 -1.021 543 HD22 ASN 76 2HD2 ASN 76 -14.359 4.763 -0.378 544 H GLY 77 H GLY 77 -16.026 -0.201 2.761 545 HA2 GLY 77 1HA GLY 77 -17.125 -2.281 2.577 546 HA3 GLY 77 2HA GLY 77 -16.077 -2.688 1.226 547 H LEU 78 H LEU 78 -15.436 -1.680 4.583 548 HA LEU 78 HA LEU 78 -13.927 -4.183 4.941 549 HB2 LEU 78 1HB LEU 78 -13.140 -1.549 6.157 550 HB3 LEU 78 2HB LEU 78 -12.213 -3.047 6.124 551 HG LEU 78 HG LEU 78 -12.835 -1.329 3.722 552 HD11 LEU 78 1HD1 LEU 78 -10.176 -1.709 5.070 553 HD12 LEU 78 2HD1 LEU 78 -11.254 -0.365 5.442 554 HD13 LEU 78 3HD1 LEU 78 -10.610 -0.552 3.811 555 HD21 LEU 78 1HD2 LEU 78 -12.587 -3.734 3.232 556 HD22 LEU 78 2HD2 LEU 78 -11.001 -3.707 4.005 557 HD23 LEU 78 3HD2 LEU 78 -11.287 -2.762 2.542 558 H LYS 79 H LYS 79 -13.525 -4.653 7.307 559 HA LYS 79 HA LYS 79 -16.050 -4.466 8.702 560 HB2 LYS 79 1HB LYS 79 -13.459 -5.871 9.362 561 HB3 LYS 79 2HB LYS 79 -14.887 -5.932 10.386 562 HG2 LYS 79 1HG LYS 79 -16.148 -6.969 8.566 563 HG3 LYS 79 2HG LYS 79 -14.710 -6.914 7.544 564 HD2 LYS 79 1HD LYS 79 -14.686 -9.087 8.372 565 HD3 LYS 79 2HD LYS 79 -13.581 -8.236 9.455 566 HE2 LYS 79 1HE LYS 79 -15.068 -8.272 11.215 567 HE3 LYS 79 2HE LYS 79 -16.475 -8.408 10.161 568 HZ1 LYS 79 1HZ LYS 79 -14.979 -10.683 9.724 569 HZ2 LYS 79 2HZ LYS 79 -16.440 -10.571 10.569 570 HZ3 LYS 79 3HZ LYS 79 -14.972 -10.465 11.402 571 H LYS 80 H LYS 80 -16.162 -3.863 10.991 572 HA LYS 80 HA LYS 80 -14.780 -1.364 11.441 573 HB2 LYS 80 1HB LYS 80 -16.821 -2.808 13.143 574 HB3 LYS 80 2HB LYS 80 -16.246 -1.167 13.409 575 HG2 LYS 80 1HG LYS 80 -18.176 -0.713 12.305 576 HG3 LYS 80 2HG LYS 80 -17.087 -0.852 10.924 577 HD2 LYS 80 1HD LYS 80 -17.817 -3.075 10.474 578 HD3 LYS 80 2HD LYS 80 -18.704 -3.157 11.997 579 HE2 LYS 80 1HE LYS 80 -20.128 -1.267 11.143 580 HE3 LYS 80 2HE LYS 80 -19.339 -1.475 9.580 581 HZ1 LYS 80 1HZ LYS 80 -20.858 -3.591 11.007 582 HZ2 LYS 80 2HZ LYS 80 -20.170 -3.717 9.467 583 HZ3 LYS 80 3HZ LYS 80 -21.463 -2.659 9.731 584 H TYR 81 H TYR 81 -13.202 -0.962 12.898 585 HA TYR 81 HA TYR 81 -11.475 -1.349 14.326 586 HB2 TYR 81 1HB TYR 81 -13.628 -1.963 15.731 587 HB3 TYR 81 2HB TYR 81 -12.961 -3.589 15.632 588 HD1 TYR 81 2HD TYR 81 -11.820 -0.116 16.429 589 HD2 TYR 81 1HD TYR 81 -11.570 -4.264 17.341 590 HE1 TYR 81 2HE TYR 81 -10.318 0.394 18.308 591 HE2 TYR 81 1HE TYR 81 -10.067 -3.766 19.223 592 HH TYR 81 HH TYR 81 -8.809 -2.175 20.204 593 H THR 82 H THR 82 -11.263 -2.610 11.881 594 HA THR 82 HA THR 82 -9.925 -5.136 12.601 595 HB THR 82 HB THR 82 -11.310 -4.476 9.995 596 HG1 THR 82 1HG THR 82 -12.908 -5.165 11.262 597 HG21 THR 82 1HG2 THR 82 -9.784 -5.903 9.149 598 HG22 THR 82 2HG2 THR 82 -10.768 -7.143 9.927 599 HG23 THR 82 3HG2 THR 82 -9.333 -6.519 10.738 600 H GLU 83 H GLU 83 -7.857 -5.414 11.938 601 HA GLU 83 HA GLU 83 -6.439 -3.113 10.973 602 HB2 GLU 83 1HB GLU 83 -5.688 -5.039 12.622 603 HB3 GLU 83 2HB GLU 83 -5.165 -5.809 11.130 604 HG2 GLU 83 1HG GLU 83 -3.708 -3.977 10.623 605 HG3 GLU 83 2HG GLU 83 -4.324 -3.053 11.991 606 H TYR 84 H TYR 84 -5.244 -2.941 9.051 607 HA TYR 84 HA TYR 84 -5.613 -4.962 6.993 608 HB2 TYR 84 1HB TYR 84 -6.642 -2.133 6.721 609 HB3 TYR 84 2HB TYR 84 -6.423 -3.229 5.362 610 HD1 TYR 84 2HD TYR 84 -7.747 -5.395 5.340 611 HD2 TYR 84 1HD TYR 84 -8.597 -2.205 8.024 612 HE1 TYR 84 2HE TYR 84 -9.995 -6.319 5.717 613 HE2 TYR 84 1HE TYR 84 -10.847 -3.121 8.409 614 HH TYR 84 HH TYR 84 -11.764 -6.002 7.942 615 H SER 85 H SER 85 -3.808 -5.185 5.848 616 HA SER 85 HA SER 85 -1.628 -3.332 6.256 617 HB2 SER 85 1HB SER 85 -1.577 -5.965 6.064 618 HB3 SER 85 2HB SER 85 -1.455 -5.624 4.339 619 HG SER 85 HG SER 85 0.341 -5.027 6.409 620 H PHE 86 H PHE 86 -0.744 -1.961 4.787 621 HA PHE 86 HA PHE 86 -1.877 -1.908 2.080 622 HB2 PHE 86 1HB PHE 86 -1.601 0.482 3.914 623 HB3 PHE 86 2HB PHE 86 -2.011 0.573 2.204 624 HD1 PHE 86 2HD PHE 86 -4.128 -0.614 1.429 625 HD2 PHE 86 1HD PHE 86 -3.256 0.184 5.518 626 HE1 PHE 86 2HE PHE 86 -6.510 -0.880 1.986 627 HE2 PHE 86 1HE PHE 86 -5.637 -0.081 6.081 628 HZ PHE 86 HZ PHE 86 -7.267 -0.613 4.314 629 H ARG 87 H ARG 87 -0.457 -1.406 0.483 630 HA ARG 87 HA ARG 87 2.147 -0.289 1.164 631 HB2 ARG 87 1HB ARG 87 3.374 -2.072 0.034 632 HB3 ARG 87 2HB ARG 87 2.450 -2.715 1.385 633 HG2 ARG 87 1HG ARG 87 0.817 -3.648 -0.070 634 HG3 ARG 87 2HG ARG 87 1.496 -2.805 -1.464 635 HD2 ARG 87 1HD ARG 87 3.654 -4.108 -0.909 636 HD3 ARG 87 2HD ARG 87 2.599 -5.141 0.053 637 HE ARG 87 HE ARG 87 1.399 -4.980 -2.408 638 HH11 ARG 87 2HH1 ARG 87 4.504 -5.994 -1.202 639 HH12 ARG 87 1HH1 ARG 87 4.752 -7.166 -2.454 640 HH21 ARG 87 2HH2 ARG 87 1.715 -6.519 -4.061 641 HH22 ARG 87 1HH2 ARG 87 3.166 -7.463 -4.080 642 H VAL 88 H VAL 88 2.868 1.063 -0.366 643 HA VAL 88 HA VAL 88 1.327 1.259 -2.846 644 HB VAL 88 HB VAL 88 3.177 3.169 -1.435 645 HG11 VAL 88 1HG1 VAL 88 2.131 3.299 -4.251 646 HG12 VAL 88 2HG1 VAL 88 2.623 4.737 -3.354 647 HG13 VAL 88 3HG1 VAL 88 3.795 3.462 -3.691 648 HG21 VAL 88 1HG2 VAL 88 1.310 4.421 -0.993 649 HG22 VAL 88 2HG2 VAL 88 0.439 3.827 -2.406 650 HG23 VAL 88 3HG2 VAL 88 0.608 2.803 -0.980 651 H VAL 89 H VAL 89 2.229 1.132 -4.867 652 HA VAL 89 HA VAL 89 5.094 0.490 -5.037 653 HB VAL 89 HB VAL 89 2.891 -1.014 -6.456 654 HG11 VAL 89 1HG1 VAL 89 5.884 -1.116 -6.675 655 HG12 VAL 89 2HG1 VAL 89 4.866 -2.483 -7.135 656 HG13 VAL 89 3HG1 VAL 89 4.690 -0.933 -7.959 657 HG21 VAL 89 1HG2 VAL 89 4.205 -2.904 -5.113 658 HG22 VAL 89 2HG2 VAL 89 4.500 -1.548 -4.024 659 HG23 VAL 89 3HG2 VAL 89 2.846 -2.020 -4.417 660 H ALA 90 H ALA 90 6.145 1.529 -6.616 661 HA ALA 90 HA ALA 90 4.639 3.321 -8.334 662 HB1 ALA 90 1HB ALA 90 7.544 3.232 -8.681 663 HB2 ALA 90 2HB ALA 90 6.477 4.602 -8.368 664 HB3 ALA 90 3HB ALA 90 7.020 3.584 -7.034 665 H TYR 91 H TYR 91 4.290 3.052 -10.454 666 HA TYR 91 HA TYR 91 5.672 0.828 -11.807 667 HB2 TYR 91 1HB TYR 91 2.784 1.575 -11.736 668 HB3 TYR 91 2HB TYR 91 3.429 0.893 -13.224 669 HD1 TYR 91 2HD TYR 91 2.711 0.239 -9.681 670 HD2 TYR 91 1HD TYR 91 4.089 -1.421 -13.348 671 HE1 TYR 91 2HE TYR 91 2.470 -2.021 -8.742 672 HE2 TYR 91 1HE TYR 91 3.851 -3.686 -12.419 673 HH TYR 91 HH TYR 91 2.300 -4.262 -9.356 674 H ASN 92 H ASN 92 6.947 1.522 -13.378 675 HA ASN 92 HA ASN 92 6.058 3.771 -15.043 676 HB2 ASN 92 1HB ASN 92 8.349 4.676 -15.071 677 HB3 ASN 92 2HB ASN 92 7.677 4.671 -13.443 678 HD21 ASN 92 1HD2 ASN 92 10.327 4.906 -13.697 679 HD22 ASN 92 2HD2 ASN 92 11.125 3.449 -13.221 680 H LYS 93 H LYS 93 7.394 3.924 -17.085 681 HA LYS 93 HA LYS 93 7.129 1.786 -18.702 682 HB2 LYS 93 1HB LYS 93 8.752 2.759 -20.195 683 HB3 LYS 93 2HB LYS 93 7.848 4.055 -19.422 684 HG2 LYS 93 1HG LYS 93 9.940 4.899 -19.208 685 HG3 LYS 93 2HG LYS 93 9.876 3.950 -17.720 686 HD2 LYS 93 1HD LYS 93 11.943 3.410 -18.699 687 HD3 LYS 93 2HD LYS 93 10.888 2.049 -19.084 688 HE2 LYS 93 1HE LYS 93 11.906 2.460 -21.116 689 HE3 LYS 93 2HE LYS 93 10.407 3.377 -21.264 690 HZ1 LYS 93 1HZ LYS 93 12.350 5.022 -20.091 691 HZ2 LYS 93 2HZ LYS 93 11.592 5.200 -21.593 692 HZ3 LYS 93 3HZ LYS 93 13.029 4.316 -21.470 693 H HIS 94 H HIS 94 9.886 2.414 -16.587 694 HA HIS 94 HA HIS 94 11.547 0.335 -17.470 695 HB2 HIS 94 1HB HIS 94 11.316 1.617 -14.740 696 HB3 HIS 94 2HB HIS 94 12.617 0.530 -15.219 697 HD1 HIS 94 1HD HIS 94 13.865 1.461 -17.571 698 HD2 HIS 94 2HD HIS 94 12.003 4.201 -15.064 699 HE1 HIS 94 1HE HIS 94 14.869 3.692 -18.150 700 HE2 HIS 94 2HE HIS 94 13.790 5.322 -16.561 701 H GLY 95 H GLY 95 9.681 0.351 -14.425 702 HA2 GLY 95 1HA GLY 95 8.238 -1.958 -14.734 703 HA3 GLY 95 2HA GLY 95 9.824 -2.504 -14.210 704 HA PRO 96 HA PRO 96 7.062 -1.296 -10.566 705 HB2 PRO 96 1HB PRO 96 6.772 -3.785 -9.521 706 HB3 PRO 96 2HB PRO 96 5.656 -3.107 -10.712 707 HG2 PRO 96 1HG PRO 96 7.932 -5.008 -11.118 708 HG3 PRO 96 2HG PRO 96 6.306 -5.044 -11.823 709 HD2 PRO 96 1HD PRO 96 8.462 -4.126 -13.179 710 HD3 PRO 96 2HD PRO 96 6.830 -3.472 -13.426 711 H GLY 97 H GLY 97 8.849 -0.285 -9.635 712 HA2 GLY 97 1HA GLY 97 11.192 -1.618 -8.790 713 HA3 GLY 97 2HA GLY 97 10.653 -0.040 -8.235 714 H VAL 98 H VAL 98 11.694 -0.956 -6.228 715 HA VAL 98 HA VAL 98 10.790 -3.058 -4.732 716 HB VAL 98 HB VAL 98 11.331 -1.660 -2.698 717 HG11 VAL 98 1HG1 VAL 98 13.124 -2.919 -3.378 718 HG12 VAL 98 2HG1 VAL 98 13.195 -2.159 -4.970 719 HG13 VAL 98 3HG1 VAL 98 13.787 -1.294 -3.551 720 HG21 VAL 98 1HG2 VAL 98 11.055 0.548 -3.039 721 HG22 VAL 98 2HG2 VAL 98 12.702 0.470 -3.665 722 HG23 VAL 98 3HG2 VAL 98 11.333 0.421 -4.776 723 H SER 99 H SER 99 9.537 -2.744 -2.559 724 HA SER 99 HA SER 99 7.049 -1.264 -3.103 725 HB2 SER 99 1HB SER 99 6.727 -3.687 -3.507 726 HB3 SER 99 2HB SER 99 7.246 -4.017 -1.854 727 HG SER 99 HG SER 99 5.454 -2.571 -1.237 728 H THR 100 H THR 100 6.222 -0.113 -1.446 729 HA THR 100 HA THR 100 7.802 0.583 0.741 730 HB THR 100 HB THR 100 5.444 1.350 1.688 731 HG1 THR 100 1HG THR 100 4.873 1.180 -1.087 732 HG21 THR 100 1HG2 THR 100 7.369 2.457 -0.147 733 HG22 THR 100 2HG2 THR 100 6.434 3.263 1.112 734 HG23 THR 100 3HG2 THR 100 5.756 3.070 -0.504 735 HA PRO 101 HA PRO 101 7.136 -2.463 3.831 736 HB2 PRO 101 1HB PRO 101 7.058 -0.960 6.090 737 HB3 PRO 101 2HB PRO 101 8.545 -1.250 5.181 738 HG2 PRO 101 1HG PRO 101 6.738 1.137 5.145 739 HG3 PRO 101 2HG PRO 101 8.510 1.076 5.169 740 HD2 PRO 101 1HD PRO 101 7.099 1.529 2.903 741 HD3 PRO 101 2HD PRO 101 8.652 0.670 2.905 742 H ASP 102 H ASP 102 5.416 -3.573 4.518 743 HA ASP 102 HA ASP 102 2.819 -2.991 4.129 744 HB2 ASP 102 1HB ASP 102 3.949 -4.523 6.480 745 HB3 ASP 102 2HB ASP 102 2.262 -4.569 5.974 746 H VAL 103 H VAL 103 1.254 -1.745 4.976 747 HA VAL 103 HA VAL 103 1.896 -0.227 7.421 748 HB VAL 103 HB VAL 103 0.218 0.705 5.087 749 HG11 VAL 103 1HG1 VAL 103 -0.077 1.488 7.639 750 HG12 VAL 103 2HG1 VAL 103 1.203 2.592 7.133 751 HG13 VAL 103 3HG1 VAL 103 -0.330 2.558 6.261 752 HG21 VAL 103 1HG2 VAL 103 2.947 1.651 5.955 753 HG22 VAL 103 2HG2 VAL 103 2.648 0.563 4.599 754 HG23 VAL 103 3HG2 VAL 103 2.022 2.212 4.562 755 H ALA 104 H ALA 104 0.856 -1.869 8.677 756 HA ALA 104 HA ALA 104 -1.922 -2.475 8.254 757 HB1 ALA 104 1HB ALA 104 -0.764 -4.238 9.221 758 HB2 ALA 104 2HB ALA 104 0.086 -3.189 10.356 759 HB3 ALA 104 3HB ALA 104 -1.628 -3.535 10.589 760 H VAL 105 H VAL 105 -3.609 -1.336 8.936 761 HA VAL 105 HA VAL 105 -3.293 0.435 11.260 762 HB VAL 105 HB VAL 105 -3.152 1.719 9.089 763 HG11 VAL 105 1HG1 VAL 105 -5.438 2.169 8.057 764 HG12 VAL 105 2HG1 VAL 105 -4.678 0.622 7.679 765 HG13 VAL 105 3HG1 VAL 105 -5.970 0.702 8.877 766 HG21 VAL 105 1HG2 VAL 105 -5.581 2.583 10.599 767 HG22 VAL 105 2HG2 VAL 105 -4.017 2.525 11.411 768 HG23 VAL 105 3HG2 VAL 105 -4.236 3.549 9.992 769 H ARG 106 H ARG 106 -5.096 0.672 12.553 770 HA ARG 106 HA ARG 106 -7.179 -1.329 12.138 771 HB2 ARG 106 1HB ARG 106 -5.845 -0.875 14.346 772 HB3 ARG 106 2HB ARG 106 -7.006 0.428 14.559 773 HG2 ARG 106 1HG ARG 106 -8.839 -1.191 14.424 774 HG3 ARG 106 2HG ARG 106 -7.663 -2.493 14.236 775 HD2 ARG 106 1HD ARG 106 -7.760 -0.630 16.603 776 HD3 ARG 106 2HD ARG 106 -8.542 -2.210 16.559 777 HE ARG 106 HE ARG 106 -6.477 -3.219 16.762 778 HH11 ARG 106 2HH1 ARG 106 -6.097 0.199 16.219 779 HH12 ARG 106 1HH1 ARG 106 -4.409 0.205 16.606 780 HH21 ARG 106 2HH2 ARG 106 -4.254 -3.223 17.274 781 HH22 ARG 106 1HH2 ARG 106 -3.361 -1.742 17.205 782 H THR 107 H THR 107 -9.217 -0.863 11.590 783 HA THR 107 HA THR 107 -9.899 1.810 10.819 784 HB THR 107 HB THR 107 -12.185 0.750 10.368 785 HG1 THR 107 1HG THR 107 -12.365 -1.414 10.602 786 HG21 THR 107 1HG2 THR 107 -11.444 0.388 8.284 787 HG22 THR 107 2HG2 THR 107 -10.355 -0.896 8.807 788 HG23 THR 107 3HG2 THR 107 -9.845 0.789 8.908 789 H LEU 108 H LEU 108 -12.209 2.591 11.443 790 HA LEU 108 HA LEU 108 -12.178 3.018 14.286 791 HB2 LEU 108 1HB LEU 108 -14.235 3.903 12.271 792 HB3 LEU 108 2HB LEU 108 -14.001 4.545 13.896 793 HG LEU 108 HG LEU 108 -11.999 4.794 11.653 794 HD11 LEU 108 1HD1 LEU 108 -13.421 6.317 10.847 795 HD12 LEU 108 2HD1 LEU 108 -12.905 7.308 12.211 796 HD13 LEU 108 3HD1 LEU 108 -14.380 6.348 12.327 797 HD21 LEU 108 1HD2 LEU 108 -10.590 5.626 13.157 798 HD22 LEU 108 2HD2 LEU 108 -11.691 5.056 14.412 799 HD23 LEU 108 3HD2 LEU 108 -11.825 6.707 13.804 800 H SER 109 H SER 109 -13.867 2.540 15.747 801 HA SER 109 HA SER 109 -15.330 0.102 15.045 802 HB2 SER 109 1HB SER 109 -14.279 -0.388 17.026 803 HB3 SER 109 2HB SER 109 -14.311 1.285 17.582 804 HG SER 109 HG SER 109 -15.771 0.159 18.809 805 H ASP 110 H ASP 110 -17.390 0.249 14.494 806 HA ASP 110 HA ASP 110 -18.893 2.665 15.062 807 HB2 ASP 110 1HB ASP 110 -18.924 1.481 12.823 808 HB3 ASP 110 2HB ASP 110 -19.857 0.205 13.600 809 H SER 111 H SER 111 -19.520 -0.827 15.457 810 HA SER 111 HA SER 111 -21.598 -0.312 17.386 811 HB2 SER 111 1HB SER 111 -21.332 -2.293 15.646 812 HB3 SER 111 2HB SER 111 -20.460 -3.046 16.981 813 HG SER 111 HG SER 111 -22.282 -3.333 17.990 814 H GLY 112 H GLY 112 -21.451 -0.346 19.550 815 HA2 GLY 112 1HA GLY 112 -18.795 -0.652 20.716 816 HA3 GLY 112 2HA GLY 112 -20.210 0.020 21.512 817 HA PRO 113 HA PRO 113 -19.488 -4.684 22.334 818 HB2 PRO 113 1HB PRO 113 -17.679 -4.636 24.357 819 HB3 PRO 113 2HB PRO 113 -17.216 -4.779 22.657 820 HG2 PRO 113 1HG PRO 113 -17.233 -2.358 24.418 821 HG3 PRO 113 2HG PRO 113 -16.008 -2.882 23.248 822 HD2 PRO 113 1HD PRO 113 -17.826 -0.955 22.689 823 HD3 PRO 113 2HD PRO 113 -17.190 -2.056 21.450 824 H SER 114 H SER 114 -20.501 -5.740 24.042 825 HA SER 114 HA SER 114 -21.607 -3.981 26.133 826 HB2 SER 114 1HB SER 114 -23.642 -5.216 26.085 827 HB3 SER 114 2HB SER 114 -23.230 -4.902 24.399 828 HG SER 114 HG SER 114 -22.868 -6.972 24.086 829 H SER 115 H SER 115 -22.175 -5.085 28.169 830 HA SER 115 HA SER 115 -20.905 -7.606 28.749 831 HB2 SER 115 1HB SER 115 -19.080 -5.795 28.863 832 HB3 SER 115 2HB SER 115 -19.912 -5.225 30.310 833 HG SER 115 HG SER 115 -19.571 -7.248 31.248 834 H GLY 116 H GLY 116 -21.754 -8.584 30.541 835 HA2 GLY 116 1HA GLY 116 -22.813 -7.634 32.819 836 HA3 GLY 116 2HA GLY 116 -24.110 -7.327 31.673 Start of MODEL 3 1 H1 GLY 1 H GLY 1 -11.239 -27.612 3.212 2 HA2 GLY 1 1HA GLY 1 -8.821 -27.930 4.879 3 HA3 GLY 1 2HA GLY 1 -8.766 -27.148 3.306 4 H SER 2 H SER 2 -8.479 -26.403 6.357 5 HA SER 2 HA SER 2 -9.832 -23.811 6.042 6 HB2 SER 2 1HB SER 2 -10.272 -23.847 8.520 7 HB3 SER 2 2HB SER 2 -11.201 -25.031 7.600 8 HG SER 2 HG SER 2 -9.001 -25.433 9.309 9 H SER 3 H SER 3 -7.318 -25.651 7.728 10 HA SER 3 HA SER 3 -5.960 -23.624 8.998 11 HB2 SER 3 1HB SER 3 -3.998 -25.045 8.935 12 HB3 SER 3 2HB SER 3 -5.424 -26.056 9.167 13 HG SER 3 HG SER 3 -4.727 -27.090 7.482 14 H GLY 4 H GLY 4 -5.499 -24.753 5.654 15 HA2 GLY 4 1HA GLY 4 -5.174 -23.102 3.901 16 HA3 GLY 4 2HA GLY 4 -4.274 -22.135 5.060 17 H SER 5 H SER 5 -2.788 -22.200 3.103 18 HA SER 5 HA SER 5 -0.866 -24.376 3.516 19 HB2 SER 5 1HB SER 5 -2.072 -23.505 0.904 20 HB3 SER 5 2HB SER 5 -0.458 -24.213 0.954 21 HG SER 5 HG SER 5 -1.316 -26.102 1.281 22 H SER 6 H SER 6 1.155 -23.674 3.773 23 HA SER 6 HA SER 6 1.721 -20.882 3.774 24 HB2 SER 6 1HB SER 6 3.510 -23.298 4.114 25 HB3 SER 6 2HB SER 6 4.062 -21.634 4.307 26 HG SER 6 HG SER 6 3.436 -21.964 6.297 27 H GLY 7 H GLY 7 3.581 -19.911 2.617 28 HA2 GLY 7 1HA GLY 7 4.844 -20.935 0.391 29 HA3 GLY 7 2HA GLY 7 3.304 -20.323 -0.195 30 H ARG 8 H ARG 8 6.414 -19.542 -0.032 31 HA ARG 8 HA ARG 8 5.826 -16.664 0.114 32 HB2 ARG 8 1HB ARG 8 8.232 -18.073 1.282 33 HB3 ARG 8 2HB ARG 8 8.081 -16.328 1.128 34 HG2 ARG 8 1HG ARG 8 6.246 -16.285 2.661 35 HG3 ARG 8 2HG ARG 8 6.179 -18.048 2.701 36 HD2 ARG 8 1HD ARG 8 8.638 -16.532 3.520 37 HD3 ARG 8 2HD ARG 8 7.326 -16.856 4.652 38 HE ARG 8 HE ARG 8 8.102 -19.252 3.390 39 HH11 ARG 8 2HH1 ARG 8 9.226 -16.940 5.738 40 HH12 ARG 8 1HH1 ARG 8 10.183 -18.093 6.608 41 HH21 ARG 8 2HH2 ARG 8 9.359 -20.779 4.527 42 HH22 ARG 8 1HH2 ARG 8 10.258 -20.276 5.917 43 H VAL 9 H VAL 9 6.034 -15.973 -1.915 44 HA VAL 9 HA VAL 9 8.340 -16.926 -3.486 45 HB VAL 9 HB VAL 9 5.643 -15.981 -4.463 46 HG11 VAL 9 1HG1 VAL 9 6.791 -16.885 -6.683 47 HG12 VAL 9 2HG1 VAL 9 6.935 -15.203 -6.168 48 HG13 VAL 9 3HG1 VAL 9 8.244 -16.341 -5.844 49 HG21 VAL 9 1HG2 VAL 9 7.012 -18.660 -4.433 50 HG22 VAL 9 2HG2 VAL 9 5.463 -18.218 -3.715 51 HG23 VAL 9 3HG2 VAL 9 5.629 -18.305 -5.468 52 H GLU 10 H GLU 10 9.817 -15.464 -4.040 53 HA GLU 10 HA GLU 10 9.054 -12.651 -4.279 54 HB2 GLU 10 1HB GLU 10 10.767 -11.856 -2.842 55 HB3 GLU 10 2HB GLU 10 9.919 -13.110 -1.948 56 HG2 GLU 10 1HG GLU 10 12.410 -13.717 -3.493 57 HG3 GLU 10 2HG GLU 10 12.475 -13.065 -1.857 58 H THR 11 H THR 11 10.646 -11.353 -5.414 59 HA THR 11 HA THR 11 12.772 -12.750 -6.810 60 HB THR 11 HB THR 11 10.528 -11.447 -8.364 61 HG1 THR 11 1HG THR 11 10.553 -13.798 -9.172 62 HG21 THR 11 1HG2 THR 11 11.710 -12.020 -10.336 63 HG22 THR 11 2HG2 THR 11 12.871 -13.002 -9.443 64 HG23 THR 11 3HG2 THR 11 12.888 -11.247 -9.276 65 H GLN 12 H GLN 12 14.360 -11.391 -7.601 66 HA GLN 12 HA GLN 12 14.335 -8.709 -6.527 67 HB2 GLN 12 1HB GLN 12 16.656 -8.626 -7.097 68 HB3 GLN 12 2HB GLN 12 16.335 -10.217 -6.421 69 HG2 GLN 12 1HG GLN 12 17.601 -10.807 -8.210 70 HG3 GLN 12 2HG GLN 12 16.002 -10.856 -8.950 71 HE21 GLN 12 1HE2 GLN 12 18.352 -8.305 -8.188 72 HE22 GLN 12 2HE2 GLN 12 18.364 -7.608 -9.768 73 HA PRO 13 HA PRO 13 12.928 -6.799 -10.260 74 HB2 PRO 13 1HB PRO 13 13.537 -4.241 -9.587 75 HB3 PRO 13 2HB PRO 13 12.154 -5.108 -8.910 76 HG2 PRO 13 1HG PRO 13 14.862 -4.640 -7.723 77 HG3 PRO 13 2HG PRO 13 13.269 -4.532 -6.952 78 HD2 PRO 13 1HD PRO 13 14.885 -6.685 -6.661 79 HD3 PRO 13 2HD PRO 13 13.114 -6.813 -6.663 80 H GLU 14 H GLU 14 13.967 -4.623 -11.461 81 HA GLU 14 HA GLU 14 16.734 -5.411 -12.103 82 HB2 GLU 14 1HB GLU 14 14.670 -4.247 -13.981 83 HB3 GLU 14 2HB GLU 14 16.315 -4.700 -14.406 84 HG2 GLU 14 1HG GLU 14 15.190 -6.535 -15.139 85 HG3 GLU 14 2HG GLU 14 15.564 -7.043 -13.494 86 H VAL 15 H VAL 15 17.882 -3.546 -13.328 87 HA VAL 15 HA VAL 15 17.936 -1.303 -11.545 88 HB VAL 15 HB VAL 15 19.740 -0.450 -12.991 89 HG11 VAL 15 1HG1 VAL 15 19.737 -2.816 -11.457 90 HG12 VAL 15 2HG1 VAL 15 20.765 -3.114 -12.861 91 HG13 VAL 15 3HG1 VAL 15 21.094 -1.744 -11.799 92 HG21 VAL 15 1HG2 VAL 15 20.535 -1.928 -14.850 93 HG22 VAL 15 2HG2 VAL 15 19.023 -2.824 -14.703 94 HG23 VAL 15 3HG2 VAL 15 18.997 -1.121 -15.159 95 H GLN 16 H GLN 16 17.850 0.949 -12.288 96 HA GLN 16 HA GLN 16 16.910 2.717 -13.388 97 HB2 GLN 16 1HB GLN 16 17.523 1.191 -15.442 98 HB3 GLN 16 2HB GLN 16 15.783 0.946 -15.519 99 HG2 GLN 16 1HG GLN 16 15.559 3.461 -15.548 100 HG3 GLN 16 2HG GLN 16 17.303 3.519 -15.797 101 HE21 GLN 16 1HE2 GLN 16 16.505 4.664 -17.763 102 HE22 GLN 16 2HE2 GLN 16 16.176 3.705 -19.162 103 H LEU 17 H LEU 17 15.559 1.436 -11.333 104 HA LEU 17 HA LEU 17 12.751 1.648 -12.201 105 HB2 LEU 17 1HB LEU 17 14.121 -0.205 -10.335 106 HB3 LEU 17 2HB LEU 17 12.494 0.319 -9.907 107 HG LEU 17 HG LEU 17 11.519 -0.857 -11.609 108 HD11 LEU 17 1HD1 LEU 17 12.444 0.025 -13.537 109 HD12 LEU 17 2HD1 LEU 17 12.960 -1.659 -13.604 110 HD13 LEU 17 3HD1 LEU 17 14.088 -0.412 -13.073 111 HD21 LEU 17 1HD2 LEU 17 13.589 -2.805 -11.875 112 HD22 LEU 17 2HD2 LEU 17 12.101 -2.887 -10.933 113 HD23 LEU 17 3HD2 LEU 17 13.563 -2.210 -10.215 114 HA PRO 18 HA PRO 18 12.112 4.964 -9.400 115 HB2 PRO 18 1HB PRO 18 9.610 4.456 -8.476 116 HB3 PRO 18 2HB PRO 18 9.931 5.019 -10.120 117 HG2 PRO 18 1HG PRO 18 9.399 2.242 -9.139 118 HG3 PRO 18 2HG PRO 18 8.770 3.058 -10.582 119 HD2 PRO 18 1HD PRO 18 10.820 1.292 -10.684 120 HD3 PRO 18 2HD PRO 18 10.694 2.674 -11.792 121 H GLY 19 H GLY 19 10.960 5.295 -7.071 122 HA2 GLY 19 1HA GLY 19 12.109 3.229 -5.297 123 HA3 GLY 19 2HA GLY 19 12.284 4.948 -4.976 124 HA PRO 20 HA PRO 20 8.481 3.157 -2.837 125 HB2 PRO 20 1HB PRO 20 9.320 3.575 -0.290 126 HB3 PRO 20 2HB PRO 20 9.648 2.081 -1.176 127 HG2 PRO 20 1HG PRO 20 11.430 4.443 -0.719 128 HG3 PRO 20 2HG PRO 20 11.818 2.714 -0.632 129 HD2 PRO 20 1HD PRO 20 12.433 4.240 -2.784 130 HD3 PRO 20 2HD PRO 20 12.024 2.517 -2.920 131 H ALA 21 H ALA 21 6.911 4.628 -2.870 132 HA ALA 21 HA ALA 21 7.226 7.381 -2.847 133 HB1 ALA 21 1HB ALA 21 4.903 5.571 -2.377 134 HB2 ALA 21 2HB ALA 21 4.723 7.303 -2.091 135 HB3 ALA 21 3HB ALA 21 5.193 6.717 -3.687 136 HA PRO 22 HA PRO 22 8.195 8.027 1.463 137 HB2 PRO 22 1HB PRO 22 8.462 10.722 1.271 138 HB3 PRO 22 2HB PRO 22 9.710 9.592 0.732 139 HG2 PRO 22 1HG PRO 22 7.640 11.037 -0.878 140 HG3 PRO 22 2HG PRO 22 9.357 10.776 -1.238 141 HD2 PRO 22 1HD PRO 22 7.391 9.285 -2.354 142 HD3 PRO 22 2HD PRO 22 9.001 8.628 -1.996 143 H ASN 23 H ASN 23 7.432 9.938 3.030 144 HA ASN 23 HA ASN 23 5.635 10.439 4.377 145 HB2 ASN 23 1HB ASN 23 4.717 11.662 1.764 146 HB3 ASN 23 2HB ASN 23 4.178 12.132 3.374 147 HD21 ASN 23 1HD2 ASN 23 6.323 12.382 4.849 148 HD22 ASN 23 2HD2 ASN 23 7.439 13.525 4.193 149 H LEU 24 H LEU 24 5.325 7.858 3.733 150 HA LEU 24 HA LEU 24 2.740 7.390 2.527 151 HB2 LEU 24 1HB LEU 24 4.545 5.800 2.180 152 HB3 LEU 24 2HB LEU 24 4.660 5.527 3.917 153 HG LEU 24 HG LEU 24 2.430 4.510 3.901 154 HD11 LEU 24 1HD1 LEU 24 1.505 3.913 1.608 155 HD12 LEU 24 2HD1 LEU 24 2.557 5.178 0.976 156 HD13 LEU 24 3HD1 LEU 24 1.300 5.580 2.145 157 HD21 LEU 24 1HD2 LEU 24 4.711 3.332 3.244 158 HD22 LEU 24 2HD2 LEU 24 3.859 3.090 1.718 159 HD23 LEU 24 3HD2 LEU 24 3.175 2.467 3.220 160 H ARG 25 H ARG 25 1.085 8.142 3.735 161 HA ARG 25 HA ARG 25 0.964 7.294 6.554 162 HB2 ARG 25 1HB ARG 25 -0.730 9.503 5.445 163 HB3 ARG 25 2HB ARG 25 -0.199 9.234 7.100 164 HG2 ARG 25 1HG ARG 25 1.803 9.868 4.978 165 HG3 ARG 25 2HG ARG 25 0.840 11.155 5.707 166 HD2 ARG 25 1HD ARG 25 2.766 11.095 7.017 167 HD3 ARG 25 2HD ARG 25 1.593 10.170 7.954 168 HE ARG 25 HE ARG 25 3.190 8.538 6.221 169 HH11 ARG 25 2HH1 ARG 25 3.057 10.108 9.325 170 HH12 ARG 25 1HH1 ARG 25 4.182 9.021 10.069 171 HH21 ARG 25 2HH2 ARG 25 4.673 7.100 7.189 172 HH22 ARG 25 1HH2 ARG 25 5.101 7.311 8.853 173 H ALA 26 H ALA 26 -0.973 6.452 7.363 174 HA ALA 26 HA ALA 26 -3.170 5.971 5.515 175 HB1 ALA 26 1HB ALA 26 -2.220 3.988 4.958 176 HB2 ALA 26 2HB ALA 26 -1.310 3.872 6.464 177 HB3 ALA 26 3HB ALA 26 -3.028 3.475 6.440 178 H TYR 27 H TYR 27 -5.048 6.209 6.537 179 HA TYR 27 HA TYR 27 -5.271 5.504 9.362 180 HB2 TYR 27 1HB TYR 27 -6.465 7.682 9.798 181 HB3 TYR 27 2HB TYR 27 -4.732 7.825 9.526 182 HD1 TYR 27 2HD TYR 27 -4.010 8.374 7.077 183 HD2 TYR 27 1HD TYR 27 -7.922 9.043 8.611 184 HE1 TYR 27 2HE TYR 27 -4.423 10.018 5.294 185 HE2 TYR 27 1HE TYR 27 -8.346 10.687 6.832 186 HH TYR 27 HH TYR 27 -7.461 11.839 5.140 187 H ALA 28 H ALA 28 -7.419 5.151 10.072 188 HA ALA 28 HA ALA 28 -9.190 4.303 7.937 189 HB1 ALA 28 1HB ALA 28 -9.900 4.081 10.827 190 HB2 ALA 28 2HB ALA 28 -10.259 2.985 9.492 191 HB3 ALA 28 3HB ALA 28 -8.629 3.055 10.161 192 H ALA 29 H ALA 29 -10.366 5.881 7.032 193 HA ALA 29 HA ALA 29 -11.282 8.171 8.493 194 HB1 ALA 29 1HB ALA 29 -10.666 8.156 6.056 195 HB2 ALA 29 2HB ALA 29 -12.180 7.301 5.755 196 HB3 ALA 29 3HB ALA 29 -12.206 8.925 6.440 197 H SER 30 H SER 30 -12.386 5.024 8.251 198 HA SER 30 HA SER 30 -14.766 5.569 9.695 199 HB2 SER 30 1HB SER 30 -14.962 5.189 6.747 200 HB3 SER 30 2HB SER 30 -16.166 4.381 7.751 201 HG SER 30 HG SER 30 -16.993 6.262 8.305 202 HA PRO 31 HA PRO 31 -14.309 1.358 10.834 203 HB2 PRO 31 1HB PRO 31 -16.875 0.573 11.245 204 HB3 PRO 31 2HB PRO 31 -16.021 1.673 12.333 205 HG2 PRO 31 1HG PRO 31 -17.983 2.301 10.162 206 HG3 PRO 31 2HG PRO 31 -17.862 2.986 11.793 207 HD2 PRO 31 1HD PRO 31 -16.920 4.268 9.602 208 HD3 PRO 31 2HD PRO 31 -16.162 4.424 11.200 209 H THR 32 H THR 32 -15.683 2.202 7.913 210 HA THR 32 HA THR 32 -15.682 -0.605 7.026 211 HB THR 32 HB THR 32 -17.507 -0.097 5.448 212 HG1 THR 32 1HG THR 32 -18.695 1.960 6.155 213 HG21 THR 32 1HG2 THR 32 -18.290 -1.140 7.386 214 HG22 THR 32 2HG2 THR 32 -19.313 0.291 7.252 215 HG23 THR 32 3HG2 THR 32 -17.966 0.273 8.390 216 H SER 33 H SER 33 -14.315 2.386 6.743 217 HA SER 33 HA SER 33 -13.245 1.729 4.089 218 HB2 SER 33 1HB SER 33 -13.623 3.834 3.198 219 HB3 SER 33 2HB SER 33 -15.067 3.630 4.189 220 HG SER 33 HG SER 33 -12.768 5.178 4.704 221 H ILE 34 H ILE 34 -11.263 3.143 3.618 222 HA ILE 34 HA ILE 34 -9.795 4.021 5.952 223 HB ILE 34 HB ILE 34 -8.932 1.605 4.370 224 HG12 ILE 34 1HG1 ILE 34 -9.373 2.113 7.319 225 HG13 ILE 34 2HG1 ILE 34 -10.363 1.108 6.266 226 HG21 ILE 34 1HG2 ILE 34 -7.327 3.545 5.968 227 HG22 ILE 34 2HG2 ILE 34 -6.882 1.839 5.975 228 HG23 ILE 34 3HG2 ILE 34 -6.929 2.731 4.455 229 HD11 ILE 34 1HD1 ILE 34 -7.860 0.021 5.981 230 HD12 ILE 34 2HD1 ILE 34 -7.914 0.477 7.685 231 HD13 ILE 34 3HD1 ILE 34 -9.149 -0.590 7.018 232 H THR 35 H THR 35 -8.817 5.831 5.367 233 HA THR 35 HA THR 35 -8.292 6.357 2.552 234 HB THR 35 HB THR 35 -8.102 8.140 4.986 235 HG1 THR 35 1HG THR 35 -9.974 9.041 4.144 236 HG21 THR 35 1HG2 THR 35 -8.143 9.717 2.688 237 HG22 THR 35 2HG2 THR 35 -6.970 8.447 2.341 238 HG23 THR 35 3HG2 THR 35 -6.775 9.461 3.770 239 H VAL 36 H VAL 36 -6.314 6.518 1.641 240 HA VAL 36 HA VAL 36 -3.959 6.318 3.395 241 HB VAL 36 HB VAL 36 -4.178 4.861 0.765 242 HG11 VAL 36 1HG1 VAL 36 -1.941 4.963 1.138 243 HG12 VAL 36 2HG1 VAL 36 -2.127 5.143 2.884 244 HG13 VAL 36 3HG1 VAL 36 -2.302 3.555 2.135 245 HG21 VAL 36 1HG2 VAL 36 -5.214 3.133 1.717 246 HG22 VAL 36 2HG2 VAL 36 -4.146 3.171 3.119 247 HG23 VAL 36 3HG2 VAL 36 -5.573 4.206 3.070 248 H THR 37 H THR 37 -2.600 7.938 3.060 249 HA THR 37 HA THR 37 -2.537 9.199 0.396 250 HB THR 37 HB THR 37 -2.101 11.324 1.387 251 HG1 THR 37 1HG THR 37 -1.763 9.817 3.761 252 HG21 THR 37 1HG2 THR 37 -4.147 10.526 3.343 253 HG22 THR 37 2HG2 THR 37 -4.483 10.046 1.679 254 HG23 THR 37 3HG2 THR 37 -4.209 11.744 2.070 255 H TRP 38 H TRP 38 -0.591 9.526 -0.556 256 HA TRP 38 HA TRP 38 1.846 9.087 1.000 257 HB2 TRP 38 1HB TRP 38 2.747 7.579 -0.753 258 HB3 TRP 38 2HB TRP 38 1.351 6.898 0.077 259 HD1 TRP 38 HD TRP 38 2.494 8.148 -3.331 260 HE1 TRP 38 1HE TRP 38 0.726 7.511 -5.090 261 HE3 TRP 38 3HE TRP 38 -1.190 6.471 -0.208 262 HZ2 TRP 38 2HZ TRP 38 -1.885 6.440 -5.146 263 HZ3 TRP 38 3HZ TRP 38 -3.293 5.658 -1.195 264 HH2 TRP 38 HH TRP 38 -3.631 5.644 -3.613 265 H GLU 39 H GLU 39 3.825 9.518 -0.467 266 HA GLU 39 HA GLU 39 3.213 11.828 -2.192 267 HB2 GLU 39 1HB GLU 39 5.400 11.407 -0.177 268 HB3 GLU 39 2HB GLU 39 5.606 12.546 -1.499 269 HG2 GLU 39 1HG GLU 39 3.404 12.626 0.551 270 HG3 GLU 39 2HG GLU 39 4.848 13.638 0.549 271 H THR 40 H THR 40 4.954 12.307 -3.800 272 HA THR 40 HA THR 40 5.647 9.855 -5.182 273 HB THR 40 HB THR 40 5.771 12.764 -5.942 274 HG1 THR 40 1HG THR 40 4.369 11.902 -7.628 275 HG21 THR 40 1HG2 THR 40 6.640 12.057 -8.140 276 HG22 THR 40 2HG2 THR 40 6.854 10.423 -7.513 277 HG23 THR 40 3HG2 THR 40 7.793 11.755 -6.841 278 HA PRO 41 HA PRO 41 9.797 9.768 -3.641 279 HB2 PRO 41 1HB PRO 41 10.762 7.915 -5.374 280 HB3 PRO 41 2HB PRO 41 9.714 7.502 -4.012 281 HG2 PRO 41 1HG PRO 41 9.011 7.868 -6.899 282 HG3 PRO 41 2HG PRO 41 8.466 6.619 -5.765 283 HD2 PRO 41 1HD PRO 41 6.946 8.765 -6.409 284 HD3 PRO 41 2HD PRO 41 6.886 7.998 -4.809 285 H VAL 42 H VAL 42 11.083 11.460 -4.043 286 HA VAL 42 HA VAL 42 11.380 12.777 -6.486 287 HB VAL 42 HB VAL 42 13.225 13.961 -5.514 288 HG11 VAL 42 1HG1 VAL 42 11.100 14.610 -4.629 289 HG12 VAL 42 2HG1 VAL 42 11.112 13.273 -3.478 290 HG13 VAL 42 3HG1 VAL 42 12.260 14.601 -3.301 291 HG21 VAL 42 1HG2 VAL 42 14.003 13.149 -3.174 292 HG22 VAL 42 2HG2 VAL 42 13.389 11.583 -3.706 293 HG23 VAL 42 3HG2 VAL 42 14.667 12.386 -4.619 294 H SER 43 H SER 43 12.685 9.815 -5.448 295 HA SER 43 HA SER 43 14.889 9.926 -7.374 296 HB2 SER 43 1HB SER 43 15.295 9.077 -5.043 297 HB3 SER 43 2HB SER 43 14.235 7.717 -5.412 298 HG SER 43 HG SER 43 15.694 7.263 -7.189 299 H GLY 44 H GLY 44 14.942 8.737 -9.211 300 HA2 GLY 44 1HA GLY 44 13.865 6.422 -9.962 301 HA3 GLY 44 2HA GLY 44 12.449 7.461 -10.013 302 H ASN 45 H ASN 45 13.193 6.222 -12.293 303 HA ASN 45 HA ASN 45 14.583 8.290 -13.860 304 HB2 ASN 45 1HB ASN 45 15.584 6.013 -13.911 305 HB3 ASN 45 2HB ASN 45 14.084 5.398 -14.599 306 HD21 ASN 45 1HD2 ASN 45 17.110 6.545 -15.286 307 HD22 ASN 45 2HD2 ASN 45 16.887 6.934 -16.955 308 H GLY 46 H GLY 46 13.445 9.473 -15.252 309 HA2 GLY 46 1HA GLY 46 11.820 10.020 -16.813 310 HA3 GLY 46 2HA GLY 46 11.166 8.396 -16.652 311 H GLU 47 H GLU 47 9.047 8.766 -16.323 312 HA GLU 47 HA GLU 47 8.331 10.263 -13.901 313 HB2 GLU 47 1HB GLU 47 7.835 11.807 -15.647 314 HB3 GLU 47 2HB GLU 47 7.098 10.556 -16.637 315 HG2 GLU 47 1HG GLU 47 5.224 10.397 -15.165 316 HG3 GLU 47 2HG GLU 47 5.992 11.468 -13.995 317 H ILE 48 H ILE 48 6.736 9.369 -12.683 318 HA ILE 48 HA ILE 48 6.164 6.659 -12.899 319 HB ILE 48 HB ILE 48 4.421 8.683 -11.495 320 HG12 ILE 48 1HG1 ILE 48 6.619 9.114 -10.710 321 HG13 ILE 48 2HG1 ILE 48 5.877 8.078 -9.496 322 HG21 ILE 48 1HG2 ILE 48 4.856 5.726 -11.157 323 HG22 ILE 48 2HG2 ILE 48 4.076 6.730 -9.935 324 HG23 ILE 48 3HG2 ILE 48 3.354 6.570 -11.536 325 HD11 ILE 48 1HD1 ILE 48 7.768 6.907 -9.659 326 HD12 ILE 48 2HD1 ILE 48 7.050 6.252 -11.131 327 HD13 ILE 48 3HD1 ILE 48 8.179 7.603 -11.227 328 H GLN 49 H GLN 49 4.413 5.480 -13.622 329 HA GLN 49 HA GLN 49 2.715 6.861 -15.576 330 HB2 GLN 49 1HB GLN 49 3.428 3.944 -15.253 331 HB3 GLN 49 2HB GLN 49 2.262 4.541 -16.426 332 HG2 GLN 49 1HG GLN 49 5.071 5.574 -16.357 333 HG3 GLN 49 2HG GLN 49 4.652 4.090 -17.211 334 HE21 GLN 49 1HE2 GLN 49 5.717 6.089 -18.637 335 HE22 GLN 49 2HE2 GLN 49 4.526 6.838 -19.639 336 H ASN 50 H ASN 50 2.549 4.483 -12.945 337 HA ASN 50 HA ASN 50 -0.074 5.452 -12.213 338 HB2 ASN 50 1HB ASN 50 -1.314 3.512 -12.585 339 HB3 ASN 50 2HB ASN 50 -0.309 3.604 -14.028 340 HD21 ASN 50 1HD2 ASN 50 -0.617 2.087 -10.873 341 HD22 ASN 50 2HD2 ASN 50 0.276 0.662 -11.267 342 H TYR 51 H TYR 51 -0.764 4.712 -10.136 343 HA TYR 51 HA TYR 51 1.471 3.722 -8.500 344 HB2 TYR 51 1HB TYR 51 -0.806 5.587 -7.949 345 HB3 TYR 51 2HB TYR 51 -0.080 4.695 -6.617 346 HD1 TYR 51 1HD TYR 51 2.708 4.718 -6.998 347 HD2 TYR 51 2HD TYR 51 -0.080 7.770 -8.007 348 HE1 TYR 51 1HE TYR 51 4.499 6.397 -6.845 349 HE2 TYR 51 2HE TYR 51 1.703 9.457 -7.858 350 HH TYR 51 HH TYR 51 4.776 8.905 -8.029 351 H LYS 52 H LYS 52 1.340 1.721 -7.756 352 HA LYS 52 HA LYS 52 -1.203 0.305 -7.851 353 HB2 LYS 52 1HB LYS 52 1.159 -0.551 -8.632 354 HB3 LYS 52 2HB LYS 52 1.351 -0.954 -6.931 355 HG2 LYS 52 1HG LYS 52 0.555 -2.910 -7.925 356 HG3 LYS 52 2HG LYS 52 -0.859 -2.199 -7.143 357 HD2 LYS 52 1HD LYS 52 -1.834 -1.607 -9.141 358 HD3 LYS 52 2HD LYS 52 -0.288 -1.513 -9.989 359 HE2 LYS 52 1HE LYS 52 -0.239 -4.096 -9.498 360 HE3 LYS 52 2HE LYS 52 -1.985 -3.887 -9.374 361 HZ1 LYS 52 1HZ LYS 52 -2.185 -3.491 -11.570 362 HZ2 LYS 52 2HZ LYS 52 -0.748 -4.378 -11.660 363 HZ3 LYS 52 3HZ LYS 52 -0.702 -2.688 -11.693 364 H LEU 53 H LEU 53 -2.484 0.493 -6.135 365 HA LEU 53 HA LEU 53 -1.272 0.667 -3.465 366 HB2 LEU 53 1HB LEU 53 -2.735 2.494 -3.939 367 HB3 LEU 53 2HB LEU 53 -4.005 1.403 -4.489 368 HG LEU 53 HG LEU 53 -4.227 0.568 -2.163 369 HD11 LEU 53 1HD1 LEU 53 -3.227 2.220 -0.434 370 HD12 LEU 53 2HD1 LEU 53 -2.071 2.588 -1.714 371 HD13 LEU 53 3HD1 LEU 53 -2.211 0.941 -1.100 372 HD21 LEU 53 1HD2 LEU 53 -5.781 2.217 -2.893 373 HD22 LEU 53 2HD2 LEU 53 -4.604 3.513 -2.671 374 HD23 LEU 53 3HD2 LEU 53 -5.262 2.669 -1.269 375 H TYR 54 H TYR 54 -1.269 -1.089 -2.241 376 HA TYR 54 HA TYR 54 -3.099 -3.283 -2.898 377 HB2 TYR 54 1HB TYR 54 -0.538 -3.202 -1.299 378 HB3 TYR 54 2HB TYR 54 -1.564 -4.628 -1.415 379 HD1 TYR 54 2HD TYR 54 -0.056 -2.129 -3.761 380 HD2 TYR 54 1HD TYR 54 -0.872 -6.220 -2.922 381 HE1 TYR 54 2HE TYR 54 1.089 -2.778 -5.839 382 HE2 TYR 54 1HE TYR 54 0.272 -6.880 -4.996 383 HH TYR 54 HH TYR 54 1.614 -4.448 -7.208 384 H TYR 55 H TYR 55 -4.132 -4.466 -1.167 385 HA TYR 55 HA TYR 55 -4.281 -3.337 1.464 386 HB2 TYR 55 1HB TYR 55 -6.561 -2.604 1.436 387 HB3 TYR 55 2HB TYR 55 -5.738 -1.803 0.103 388 HD1 TYR 55 1HD TYR 55 -5.936 -2.988 -2.222 389 HD2 TYR 55 2HD TYR 55 -8.578 -3.676 1.041 390 HE1 TYR 55 1HE TYR 55 -7.637 -3.833 -3.785 391 HE2 TYR 55 2HE TYR 55 -10.286 -4.524 -0.513 392 HH TYR 55 HH TYR 55 -10.485 -5.437 -2.710 393 H MET 56 H MET 56 -4.895 -4.845 2.906 394 HA MET 56 HA MET 56 -6.607 -7.045 2.164 395 HB2 MET 56 1HB MET 56 -5.113 -8.773 2.175 396 HB3 MET 56 2HB MET 56 -4.061 -7.510 1.550 397 HG2 MET 56 1HG MET 56 -3.568 -7.142 4.116 398 HG3 MET 56 2HG MET 56 -4.081 -8.825 4.207 399 HE1 MET 56 1HE MET 56 -0.872 -10.302 4.183 400 HE2 MET 56 2HE MET 56 -0.810 -8.763 5.042 401 HE3 MET 56 3HE MET 56 -2.281 -9.736 5.081 402 H GLU 57 H GLU 57 -7.060 -8.478 4.027 403 HA GLU 57 HA GLU 57 -7.153 -6.892 6.470 404 HB2 GLU 57 1HB GLU 57 -9.149 -8.147 5.414 405 HB3 GLU 57 2HB GLU 57 -8.419 -9.593 6.097 406 HG2 GLU 57 1HG GLU 57 -8.632 -8.734 8.316 407 HG3 GLU 57 2HG GLU 57 -9.157 -7.164 7.710 408 H LYS 58 H LYS 58 -5.257 -7.044 7.544 409 HA LYS 58 HA LYS 58 -3.343 -8.886 7.675 410 HB2 LYS 58 1HB LYS 58 -3.710 -6.758 9.122 411 HB3 LYS 58 2HB LYS 58 -4.412 -7.869 10.291 412 HG2 LYS 58 1HG LYS 58 -2.235 -7.764 11.004 413 HG3 LYS 58 2HG LYS 58 -2.191 -9.187 9.960 414 HD2 LYS 58 1HD LYS 58 -1.442 -7.661 8.101 415 HD3 LYS 58 2HD LYS 58 -1.262 -6.393 9.316 416 HE2 LYS 58 1HE LYS 58 0.540 -7.408 10.303 417 HE3 LYS 58 2HE LYS 58 0.039 -9.024 9.808 418 HZ1 LYS 58 1HZ LYS 58 0.914 -7.047 7.803 419 HZ2 LYS 58 2HZ LYS 58 0.904 -8.735 7.697 420 HZ3 LYS 58 3HZ LYS 58 2.053 -7.956 8.664 421 H GLY 59 H GLY 59 -3.711 -11.030 7.473 422 HA2 GLY 59 1HA GLY 59 -3.866 -12.946 9.110 423 HA3 GLY 59 2HA GLY 59 -5.454 -12.298 9.492 424 H THR 60 H THR 60 -5.040 -11.768 6.287 425 HA THR 60 HA THR 60 -6.499 -14.227 5.608 426 HB THR 60 HB THR 60 -6.377 -11.981 3.668 427 HG1 THR 60 1HG THR 60 -6.909 -10.681 5.306 428 HG21 THR 60 1HG2 THR 60 -7.696 -13.785 2.972 429 HG22 THR 60 2HG2 THR 60 -8.870 -12.627 3.598 430 HG23 THR 60 3HG2 THR 60 -8.392 -14.015 4.576 431 H ASP 61 H ASP 61 -3.652 -12.365 4.892 432 HA ASP 61 HA ASP 61 -1.804 -12.797 3.636 433 HB2 ASP 61 1HB ASP 61 -2.938 -15.599 3.700 434 HB3 ASP 61 2HB ASP 61 -1.347 -15.193 3.061 435 H LYS 62 H LYS 62 -4.426 -12.089 2.400 436 HA LYS 62 HA LYS 62 -3.839 -13.020 -0.335 437 HB2 LYS 62 1HB LYS 62 -6.101 -13.641 0.925 438 HB3 LYS 62 2HB LYS 62 -6.565 -12.040 0.364 439 HG2 LYS 62 1HG LYS 62 -5.813 -14.442 -1.267 440 HG3 LYS 62 2HG LYS 62 -7.323 -13.528 -1.279 441 HD2 LYS 62 1HD LYS 62 -6.130 -11.595 -2.214 442 HD3 LYS 62 2HD LYS 62 -4.633 -12.530 -2.221 443 HE2 LYS 62 1HE LYS 62 -5.889 -14.211 -3.668 444 HE3 LYS 62 2HE LYS 62 -7.119 -12.963 -3.856 445 HZ1 LYS 62 1HZ LYS 62 -4.674 -13.238 -5.221 446 HZ2 LYS 62 2HZ LYS 62 -4.657 -11.778 -4.368 447 HZ3 LYS 62 3HZ LYS 62 -5.900 -12.098 -5.470 448 H GLU 63 H GLU 63 -2.351 -11.108 -0.209 449 HA GLU 63 HA GLU 63 -3.305 -8.475 -0.016 450 HB2 GLU 63 1HB GLU 63 -0.880 -9.331 0.013 451 HB3 GLU 63 2HB GLU 63 -0.976 -9.285 -1.742 452 HG2 GLU 63 1HG GLU 63 -0.103 -7.230 -1.377 453 HG3 GLU 63 2HG GLU 63 -1.815 -6.823 -1.269 454 H GLN 64 H GLN 64 -3.906 -6.965 -1.560 455 HA GLN 64 HA GLN 64 -4.509 -8.028 -4.239 456 HB2 GLN 64 1HB GLN 64 -6.257 -6.472 -2.364 457 HB3 GLN 64 2HB GLN 64 -6.500 -6.354 -4.101 458 HG2 GLN 64 1HG GLN 64 -7.032 -8.640 -4.285 459 HG3 GLN 64 2HG GLN 64 -6.444 -8.984 -2.659 460 HE21 GLN 64 1HE2 GLN 64 -8.113 -9.559 -1.468 461 HE22 GLN 64 2HE2 GLN 64 -9.636 -8.746 -1.392 462 H ASP 65 H ASP 65 -5.226 -5.998 -5.668 463 HA ASP 65 HA ASP 65 -3.550 -3.678 -5.133 464 HB2 ASP 65 1HB ASP 65 -2.553 -3.832 -7.446 465 HB3 ASP 65 2HB ASP 65 -1.972 -5.038 -6.301 466 H VAL 66 H VAL 66 -4.309 -1.820 -6.043 467 HA VAL 66 HA VAL 66 -6.540 -2.035 -7.945 468 HB VAL 66 HB VAL 66 -7.862 -0.434 -6.785 469 HG11 VAL 66 1HG1 VAL 66 -7.216 -2.921 -5.695 470 HG12 VAL 66 2HG1 VAL 66 -7.264 -1.809 -4.325 471 HG13 VAL 66 3HG1 VAL 66 -8.665 -1.964 -5.387 472 HG21 VAL 66 1HG2 VAL 66 -7.041 0.444 -4.531 473 HG22 VAL 66 2HG2 VAL 66 -5.436 -0.068 -5.052 474 HG23 VAL 66 3HG2 VAL 66 -6.320 1.142 -5.981 475 H ASP 67 H ASP 67 -6.407 -0.673 -9.618 476 HA ASP 67 HA ASP 67 -4.108 0.963 -9.959 477 HB2 ASP 67 1HB ASP 67 -4.820 1.261 -12.139 478 HB3 ASP 67 2HB ASP 67 -5.631 -0.246 -11.725 479 H VAL 68 H VAL 68 -3.780 2.957 -9.253 480 HA VAL 68 HA VAL 68 -6.125 4.660 -8.703 481 HB VAL 68 HB VAL 68 -3.476 4.654 -7.248 482 HG11 VAL 68 1HG1 VAL 68 -4.407 6.893 -7.406 483 HG12 VAL 68 2HG1 VAL 68 -5.959 6.309 -6.799 484 HG13 VAL 68 3HG1 VAL 68 -4.538 6.288 -5.754 485 HG21 VAL 68 1HG2 VAL 68 -4.359 3.063 -5.974 486 HG22 VAL 68 2HG2 VAL 68 -5.620 4.197 -5.491 487 HG23 VAL 68 3HG2 VAL 68 -5.876 3.130 -6.871 488 H SER 69 H SER 69 -5.843 6.941 -9.008 489 HA SER 69 HA SER 69 -3.744 7.581 -10.976 490 HB2 SER 69 1HB SER 69 -5.970 7.603 -11.989 491 HB3 SER 69 2HB SER 69 -6.541 8.720 -10.750 492 HG SER 69 HG SER 69 -4.547 9.972 -11.654 493 H SER 70 H SER 70 -5.560 8.698 -8.184 494 HA SER 70 HA SER 70 -4.024 11.163 -8.032 495 HB2 SER 70 1HB SER 70 -6.561 10.785 -7.424 496 HB3 SER 70 2HB SER 70 -5.898 10.275 -5.871 497 HG SER 70 HG SER 70 -5.520 12.285 -5.417 498 H HIS 71 H HIS 71 -3.055 11.765 -5.896 499 HA HIS 71 HA HIS 71 -1.128 9.818 -5.143 500 HB2 HIS 71 1HB HIS 71 -1.817 12.574 -4.161 501 HB3 HIS 71 2HB HIS 71 -0.635 11.586 -3.306 502 HD1 HIS 71 1HD HIS 71 -0.704 14.160 -5.675 503 HD2 HIS 71 2HD HIS 71 1.366 10.566 -5.433 504 HE1 HIS 71 1HE HIS 71 1.280 14.423 -7.197 505 HE2 HIS 71 2HE HIS 71 2.471 12.206 -7.100 506 H SER 72 H SER 72 -4.251 10.677 -3.950 507 HA SER 72 HA SER 72 -3.875 8.817 -1.696 508 HB2 SER 72 1HB SER 72 -5.216 10.158 -0.281 509 HB3 SER 72 2HB SER 72 -4.133 11.294 -1.084 510 HG SER 72 HG SER 72 -6.053 11.326 -2.679 511 H TYR 73 H TYR 73 -5.464 7.323 -1.336 512 HA TYR 73 HA TYR 73 -7.862 7.417 -3.020 513 HB2 TYR 73 1HB TYR 73 -6.208 6.011 -4.189 514 HB3 TYR 73 2HB TYR 73 -6.063 4.998 -2.757 515 HD1 TYR 73 1HD TYR 73 -7.853 3.464 -2.130 516 HD2 TYR 73 2HD TYR 73 -8.150 5.867 -5.628 517 HE1 TYR 73 1HE TYR 73 -9.706 2.059 -2.931 518 HE2 TYR 73 2HE TYR 73 -10.005 4.470 -6.438 519 HH TYR 73 HH TYR 73 -11.262 2.681 -6.064 520 H THR 74 H THR 74 -9.676 6.501 -2.129 521 HA THR 74 HA THR 74 -9.403 5.586 0.659 522 HB THR 74 HB THR 74 -11.822 6.861 -0.633 523 HG1 THR 74 1HG THR 74 -11.171 8.598 0.900 524 HG21 THR 74 1HG2 THR 74 -12.795 6.896 1.535 525 HG22 THR 74 2HG2 THR 74 -11.290 6.378 2.294 526 HG23 THR 74 3HG2 THR 74 -12.200 5.256 1.283 527 H ILE 75 H ILE 75 -9.946 3.555 1.096 528 HA ILE 75 HA ILE 75 -11.368 2.011 -0.949 529 HB ILE 75 HB ILE 75 -9.702 1.132 1.408 530 HG12 ILE 75 1HG1 ILE 75 -9.250 0.533 -1.508 531 HG13 ILE 75 2HG1 ILE 75 -8.647 2.014 -0.772 532 HG21 ILE 75 1HG2 ILE 75 -10.076 -1.152 0.108 533 HG22 ILE 75 2HG2 ILE 75 -11.166 -0.608 1.382 534 HG23 ILE 75 3HG2 ILE 75 -11.599 -0.366 -0.310 535 HD11 ILE 75 1HD1 ILE 75 -8.004 -0.647 0.423 536 HD12 ILE 75 2HD1 ILE 75 -7.088 -0.021 -0.948 537 HD13 ILE 75 3HD1 ILE 75 -7.138 0.882 0.566 538 H ASN 76 H ASN 76 -13.331 1.136 -0.618 539 HA ASN 76 HA ASN 76 -14.533 1.476 2.052 540 HB2 ASN 76 1HB ASN 76 -16.245 1.306 -0.389 541 HB3 ASN 76 2HB ASN 76 -16.528 2.168 1.121 542 HD21 ASN 76 1HD2 ASN 76 -15.011 4.019 1.521 543 HD22 ASN 76 2HD2 ASN 76 -14.627 5.021 0.167 544 H GLY 77 H GLY 77 -16.189 -0.093 2.640 545 HA2 GLY 77 1HA GLY 77 -17.214 -2.196 2.547 546 HA3 GLY 77 2HA GLY 77 -16.251 -2.578 1.127 547 H LEU 78 H LEU 78 -15.562 -1.710 4.520 548 HA LEU 78 HA LEU 78 -13.906 -4.137 4.696 549 HB2 LEU 78 1HB LEU 78 -13.207 -1.544 6.044 550 HB3 LEU 78 2HB LEU 78 -12.210 -2.988 5.881 551 HG LEU 78 HG LEU 78 -13.032 -1.270 3.546 552 HD11 LEU 78 1HD1 LEU 78 -10.411 -1.203 5.028 553 HD12 LEU 78 2HD1 LEU 78 -11.690 -0.004 5.216 554 HD13 LEU 78 3HD1 LEU 78 -10.893 -0.205 3.656 555 HD21 LEU 78 1HD2 LEU 78 -11.174 -2.413 2.434 556 HD22 LEU 78 2HD2 LEU 78 -12.402 -3.553 2.985 557 HD23 LEU 78 3HD2 LEU 78 -10.896 -3.373 3.887 558 H LYS 79 H LYS 79 -13.521 -4.857 6.936 559 HA LYS 79 HA LYS 79 -15.971 -4.884 8.408 560 HB2 LYS 79 1HB LYS 79 -13.289 -6.160 8.693 561 HB3 LYS 79 2HB LYS 79 -14.341 -6.112 10.102 562 HG2 LYS 79 1HG LYS 79 -15.450 -7.102 7.525 563 HG3 LYS 79 2HG LYS 79 -14.371 -8.147 8.451 564 HD2 LYS 79 1HD LYS 79 -16.697 -6.790 9.767 565 HD3 LYS 79 2HD LYS 79 -16.919 -8.294 8.869 566 HE2 LYS 79 1HE LYS 79 -15.161 -9.330 10.287 567 HE3 LYS 79 2HE LYS 79 -15.099 -7.843 11.232 568 HZ1 LYS 79 1HZ LYS 79 -16.986 -9.991 11.344 569 HZ2 LYS 79 2HZ LYS 79 -17.745 -8.488 11.184 570 HZ3 LYS 79 3HZ LYS 79 -16.682 -8.765 12.470 571 H LYS 80 H LYS 80 -15.770 -4.643 10.913 572 HA LYS 80 HA LYS 80 -14.642 -1.973 11.404 573 HB2 LYS 80 1HB LYS 80 -16.746 -3.423 13.016 574 HB3 LYS 80 2HB LYS 80 -16.273 -1.736 13.167 575 HG2 LYS 80 1HG LYS 80 -18.144 -1.453 11.931 576 HG3 LYS 80 2HG LYS 80 -17.003 -1.714 10.610 577 HD2 LYS 80 1HD LYS 80 -17.604 -4.191 10.822 578 HD3 LYS 80 2HD LYS 80 -18.969 -3.650 11.802 579 HE2 LYS 80 1HE LYS 80 -19.660 -2.185 9.912 580 HE3 LYS 80 2HE LYS 80 -18.371 -2.898 8.943 581 HZ1 LYS 80 1HZ LYS 80 -20.784 -4.230 10.025 582 HZ2 LYS 80 2HZ LYS 80 -19.457 -5.100 9.440 583 HZ3 LYS 80 3HZ LYS 80 -20.315 -4.072 8.407 584 H TYR 81 H TYR 81 -13.212 -1.607 13.025 585 HA TYR 81 HA TYR 81 -11.612 -2.038 14.583 586 HB2 TYR 81 1HB TYR 81 -13.846 -2.753 15.774 587 HB3 TYR 81 2HB TYR 81 -13.177 -4.373 15.613 588 HD1 TYR 81 2HD TYR 81 -11.973 -0.987 16.664 589 HD2 TYR 81 1HD TYR 81 -12.048 -5.168 17.451 590 HE1 TYR 81 2HE TYR 81 -10.622 -0.624 18.687 591 HE2 TYR 81 1HE TYR 81 -10.698 -4.816 19.477 592 HH TYR 81 HH TYR 81 -10.155 -3.057 21.045 593 H THR 82 H THR 82 -11.131 -3.134 12.111 594 HA THR 82 HA THR 82 -9.704 -5.607 12.828 595 HB THR 82 HB THR 82 -11.242 -5.070 10.286 596 HG1 THR 82 1HG THR 82 -12.522 -6.002 11.850 597 HG21 THR 82 1HG2 THR 82 -10.350 -7.487 9.796 598 HG22 THR 82 2HG2 THR 82 -9.036 -6.999 10.866 599 HG23 THR 82 3HG2 THR 82 -9.366 -6.079 9.398 600 H GLU 83 H GLU 83 -7.653 -5.839 12.005 601 HA GLU 83 HA GLU 83 -6.332 -3.434 11.182 602 HB2 GLU 83 1HB GLU 83 -5.473 -5.501 12.600 603 HB3 GLU 83 2HB GLU 83 -4.990 -6.094 11.018 604 HG2 GLU 83 1HG GLU 83 -3.563 -4.234 10.659 605 HG3 GLU 83 2HG GLU 83 -4.204 -3.392 12.070 606 H TYR 84 H TYR 84 -5.157 -3.105 9.244 607 HA TYR 84 HA TYR 84 -5.654 -4.908 7.015 608 HB2 TYR 84 1HB TYR 84 -6.667 -2.069 7.120 609 HB3 TYR 84 2HB TYR 84 -6.421 -2.930 5.605 610 HD1 TYR 84 2HD TYR 84 -7.691 -5.123 5.266 611 HD2 TYR 84 1HD TYR 84 -8.654 -2.333 8.332 612 HE1 TYR 84 2HE TYR 84 -9.928 -6.125 5.468 613 HE2 TYR 84 1HE TYR 84 -10.893 -3.328 8.542 614 HH TYR 84 HH TYR 84 -11.715 -6.262 7.408 615 H SER 85 H SER 85 -3.879 -5.082 5.820 616 HA SER 85 HA SER 85 -1.671 -3.260 6.281 617 HB2 SER 85 1HB SER 85 -1.611 -5.881 6.035 618 HB3 SER 85 2HB SER 85 -1.542 -5.513 4.311 619 HG SER 85 HG SER 85 0.214 -4.382 6.228 620 H PHE 86 H PHE 86 -0.645 -2.023 4.713 621 HA PHE 86 HA PHE 86 -1.872 -1.852 2.068 622 HB2 PHE 86 1HB PHE 86 -1.600 0.488 3.963 623 HB3 PHE 86 2HB PHE 86 -1.957 0.644 2.246 624 HD1 PHE 86 2HD PHE 86 -4.077 -0.380 1.356 625 HD2 PHE 86 1HD PHE 86 -3.291 0.043 5.517 626 HE1 PHE 86 2HE PHE 86 -6.477 -0.638 1.832 627 HE2 PHE 86 1HE PHE 86 -5.689 -0.215 6.000 628 HZ PHE 86 HZ PHE 86 -7.286 -0.555 4.156 629 H ARG 87 H ARG 87 -0.457 -1.359 0.469 630 HA ARG 87 HA ARG 87 2.135 -0.209 1.114 631 HB2 ARG 87 1HB ARG 87 3.390 -2.011 0.042 632 HB3 ARG 87 2HB ARG 87 2.484 -2.617 1.421 633 HG2 ARG 87 1HG ARG 87 0.890 -3.671 0.037 634 HG3 ARG 87 2HG ARG 87 1.469 -2.820 -1.397 635 HD2 ARG 87 1HD ARG 87 3.558 -4.034 -1.319 636 HD3 ARG 87 2HD ARG 87 3.083 -4.811 0.190 637 HE ARG 87 HE ARG 87 1.112 -5.555 -1.471 638 HH11 ARG 87 2HH1 ARG 87 4.578 -5.610 -1.792 639 HH12 ARG 87 1HH1 ARG 87 4.590 -6.996 -2.831 640 HH21 ARG 87 2HH2 ARG 87 1.114 -7.380 -2.839 641 HH22 ARG 87 1HH2 ARG 87 2.619 -8.001 -3.427 642 H VAL 88 H VAL 88 2.875 1.065 -0.482 643 HA VAL 88 HA VAL 88 1.359 1.091 -2.997 644 HB VAL 88 HB VAL 88 3.082 3.223 -1.728 645 HG11 VAL 88 1HG1 VAL 88 1.747 3.069 -4.405 646 HG12 VAL 88 2HG1 VAL 88 2.014 4.623 -3.613 647 HG13 VAL 88 3HG1 VAL 88 3.385 3.585 -4.006 648 HG21 VAL 88 1HG2 VAL 88 1.228 4.012 -0.782 649 HG22 VAL 88 2HG2 VAL 88 0.336 3.917 -2.301 650 HG23 VAL 88 3HG2 VAL 88 0.435 2.506 -1.247 651 H VAL 89 H VAL 89 2.377 1.073 -4.987 652 HA VAL 89 HA VAL 89 5.284 0.667 -5.019 653 HB VAL 89 HB VAL 89 3.348 -1.089 -6.534 654 HG11 VAL 89 1HG1 VAL 89 6.239 -0.648 -6.656 655 HG12 VAL 89 2HG1 VAL 89 5.771 -2.345 -6.521 656 HG13 VAL 89 3HG1 VAL 89 5.147 -1.359 -7.844 657 HG21 VAL 89 1HG2 VAL 89 4.070 -1.232 -3.832 658 HG22 VAL 89 2HG2 VAL 89 3.264 -2.472 -4.794 659 HG23 VAL 89 3HG2 VAL 89 5.021 -2.473 -4.649 660 H ALA 90 H ALA 90 6.318 1.577 -6.720 661 HA ALA 90 HA ALA 90 4.743 3.269 -8.476 662 HB1 ALA 90 1HB ALA 90 6.758 4.143 -7.353 663 HB2 ALA 90 2HB ALA 90 7.740 3.002 -8.274 664 HB3 ALA 90 3HB ALA 90 6.846 4.272 -9.110 665 H TYR 91 H TYR 91 4.376 2.926 -10.587 666 HA TYR 91 HA TYR 91 5.753 0.659 -11.871 667 HB2 TYR 91 1HB TYR 91 2.859 1.362 -11.754 668 HB3 TYR 91 2HB TYR 91 3.473 0.659 -13.246 669 HD1 TYR 91 2HD TYR 91 2.916 0.071 -9.656 670 HD2 TYR 91 1HD TYR 91 4.120 -1.650 -13.356 671 HE1 TYR 91 2HE TYR 91 2.741 -2.172 -8.663 672 HE2 TYR 91 1HE TYR 91 3.947 -3.898 -12.374 673 HH TYR 91 HH TYR 91 2.328 -4.734 -9.970 674 H ASN 92 H ASN 92 7.048 1.376 -13.419 675 HA ASN 92 HA ASN 92 6.111 3.590 -15.121 676 HB2 ASN 92 1HB ASN 92 8.455 4.341 -15.322 677 HB3 ASN 92 2HB ASN 92 7.882 4.413 -13.658 678 HD21 ASN 92 1HD2 ASN 92 10.532 4.458 -14.114 679 HD22 ASN 92 2HD2 ASN 92 11.257 2.965 -13.634 680 H LYS 93 H LYS 93 6.887 3.572 -17.306 681 HA LYS 93 HA LYS 93 6.546 1.366 -18.770 682 HB2 LYS 93 1HB LYS 93 8.083 2.316 -20.483 683 HB3 LYS 93 2HB LYS 93 6.947 3.491 -19.832 684 HG2 LYS 93 1HG LYS 93 8.811 4.188 -18.253 685 HG3 LYS 93 2HG LYS 93 9.885 3.236 -19.281 686 HD2 LYS 93 1HD LYS 93 9.668 4.669 -21.064 687 HD3 LYS 93 2HD LYS 93 8.073 5.230 -20.556 688 HE2 LYS 93 1HE LYS 93 9.078 6.505 -18.747 689 HE3 LYS 93 2HE LYS 93 10.675 5.900 -19.183 690 HZ1 LYS 93 1HZ LYS 93 10.550 7.048 -21.266 691 HZ2 LYS 93 2HZ LYS 93 10.218 8.152 -20.029 692 HZ3 LYS 93 3HZ LYS 93 8.956 7.533 -20.970 693 H HIS 94 H HIS 94 9.466 2.136 -16.984 694 HA HIS 94 HA HIS 94 11.104 0.105 -18.079 695 HB2 HIS 94 1HB HIS 94 11.352 1.227 -15.290 696 HB3 HIS 94 2HB HIS 94 12.630 0.587 -16.317 697 HD1 HIS 94 1HD HIS 94 13.878 2.241 -17.701 698 HD2 HIS 94 2HD HIS 94 10.295 3.776 -16.264 699 HE1 HIS 94 1HE HIS 94 13.888 4.676 -18.332 700 HE2 HIS 94 2HE HIS 94 11.750 5.602 -17.378 701 H GLY 95 H GLY 95 9.382 0.248 -14.952 702 HA2 GLY 95 1HA GLY 95 8.151 -2.151 -14.905 703 HA3 GLY 95 2HA GLY 95 9.811 -2.583 -14.523 704 HA PRO 96 HA PRO 96 7.344 -1.143 -10.720 705 HB2 PRO 96 1HB PRO 96 6.993 -3.568 -9.550 706 HB3 PRO 96 2HB PRO 96 5.825 -2.866 -10.676 707 HG2 PRO 96 1HG PRO 96 7.942 -4.921 -11.180 708 HG3 PRO 96 2HG PRO 96 6.264 -4.881 -11.750 709 HD2 PRO 96 1HD PRO 96 8.351 -4.153 -13.314 710 HD3 PRO 96 2HD PRO 96 6.746 -3.408 -13.456 711 H GLY 97 H GLY 97 8.900 -0.273 -9.488 712 HA2 GLY 97 1HA GLY 97 11.401 -1.581 -8.993 713 HA3 GLY 97 2HA GLY 97 10.866 -0.058 -8.299 714 H VAL 98 H VAL 98 11.372 -0.382 -6.191 715 HA VAL 98 HA VAL 98 10.924 -2.825 -4.810 716 HB VAL 98 HB VAL 98 11.510 -1.631 -2.795 717 HG11 VAL 98 1HG1 VAL 98 13.544 -1.998 -3.664 718 HG12 VAL 98 2HG1 VAL 98 13.086 -1.375 -5.250 719 HG13 VAL 98 3HG1 VAL 98 13.554 -0.261 -3.965 720 HG21 VAL 98 1HG2 VAL 98 10.125 0.439 -3.645 721 HG22 VAL 98 2HG2 VAL 98 11.454 0.642 -2.504 722 HG23 VAL 98 3HG2 VAL 98 11.704 0.977 -4.217 723 H SER 99 H SER 99 9.691 -2.458 -2.529 724 HA SER 99 HA SER 99 7.049 -1.307 -3.095 725 HB2 SER 99 1HB SER 99 6.757 -3.641 -3.570 726 HB3 SER 99 2HB SER 99 7.608 -4.106 -2.097 727 HG SER 99 HG SER 99 5.377 -2.470 -1.806 728 H THR 100 H THR 100 6.387 -0.023 -1.512 729 HA THR 100 HA THR 100 7.835 0.615 0.739 730 HB THR 100 HB THR 100 5.578 1.441 1.676 731 HG1 THR 100 1HG THR 100 4.229 0.078 0.444 732 HG21 THR 100 1HG2 THR 100 5.620 2.846 -0.791 733 HG22 THR 100 2HG2 THR 100 7.281 2.411 -0.389 734 HG23 THR 100 3HG2 THR 100 6.308 3.333 0.757 735 HA PRO 101 HA PRO 101 7.205 -2.515 3.752 736 HB2 PRO 101 1HB PRO 101 7.137 -1.057 6.041 737 HB3 PRO 101 2HB PRO 101 8.620 -1.326 5.118 738 HG2 PRO 101 1HG PRO 101 6.808 1.057 5.138 739 HG3 PRO 101 2HG PRO 101 8.581 0.999 5.152 740 HD2 PRO 101 1HD PRO 101 7.157 1.494 2.903 741 HD3 PRO 101 2HD PRO 101 8.711 0.638 2.879 742 H ASP 102 H ASP 102 5.474 -3.643 4.370 743 HA ASP 102 HA ASP 102 2.878 -3.022 4.032 744 HB2 ASP 102 1HB ASP 102 3.674 -4.575 6.482 745 HB3 ASP 102 2HB ASP 102 2.299 -4.835 5.412 746 H VAL 103 H VAL 103 1.377 -1.738 4.906 747 HA VAL 103 HA VAL 103 2.033 -0.384 7.442 748 HB VAL 103 HB VAL 103 0.433 0.672 5.107 749 HG11 VAL 103 1HG1 VAL 103 0.956 2.761 6.848 750 HG12 VAL 103 2HG1 VAL 103 -0.595 1.952 6.615 751 HG13 VAL 103 3HG1 VAL 103 0.489 1.429 7.905 752 HG21 VAL 103 1HG2 VAL 103 3.123 1.448 6.227 753 HG22 VAL 103 2HG2 VAL 103 2.799 0.720 4.653 754 HG23 VAL 103 3HG2 VAL 103 2.248 2.360 4.996 755 H ALA 104 H ALA 104 0.975 -2.016 8.661 756 HA ALA 104 HA ALA 104 -1.783 -2.654 8.207 757 HB1 ALA 104 1HB ALA 104 -1.340 -3.492 10.738 758 HB2 ALA 104 2HB ALA 104 -0.910 -4.417 9.299 759 HB3 ALA 104 3HB ALA 104 0.310 -3.442 10.117 760 H VAL 105 H VAL 105 -3.560 -1.719 9.026 761 HA VAL 105 HA VAL 105 -3.311 0.143 11.270 762 HB VAL 105 HB VAL 105 -3.213 1.321 8.955 763 HG11 VAL 105 1HG1 VAL 105 -6.169 0.761 9.178 764 HG12 VAL 105 2HG1 VAL 105 -5.412 1.855 8.018 765 HG13 VAL 105 3HG1 VAL 105 -5.081 0.124 7.946 766 HG21 VAL 105 1HG2 VAL 105 -4.671 3.179 9.866 767 HG22 VAL 105 2HG2 VAL 105 -5.046 2.101 11.211 768 HG23 VAL 105 3HG2 VAL 105 -3.382 2.613 10.929 769 H ARG 106 H ARG 106 -5.057 0.185 12.603 770 HA ARG 106 HA ARG 106 -7.151 -1.771 12.057 771 HB2 ARG 106 1HB ARG 106 -5.832 -1.608 14.259 772 HB3 ARG 106 2HB ARG 106 -6.821 -0.194 14.600 773 HG2 ARG 106 1HG ARG 106 -8.839 -1.562 14.431 774 HG3 ARG 106 2HG ARG 106 -7.845 -2.980 14.091 775 HD2 ARG 106 1HD ARG 106 -7.517 -1.331 16.584 776 HD3 ARG 106 2HD ARG 106 -8.642 -2.685 16.485 777 HE ARG 106 HE ARG 106 -6.279 -3.735 15.646 778 HH11 ARG 106 2HH1 ARG 106 -7.296 -1.994 18.484 779 HH12 ARG 106 1HH1 ARG 106 -6.146 -2.762 19.527 780 HH21 ARG 106 2HH2 ARG 106 -4.761 -4.754 17.009 781 HH22 ARG 106 1HH2 ARG 106 -4.704 -4.332 18.687 782 H THR 107 H THR 107 -9.208 -1.267 11.609 783 HA THR 107 HA THR 107 -9.893 1.456 11.038 784 HB THR 107 HB THR 107 -12.198 0.427 10.575 785 HG1 THR 107 1HG THR 107 -12.382 -1.552 11.295 786 HG21 THR 107 1HG2 THR 107 -11.401 -0.635 8.472 787 HG22 THR 107 2HG2 THR 107 -9.751 -0.531 9.087 788 HG23 THR 107 3HG2 THR 107 -10.672 0.940 8.778 789 H LEU 108 H LEU 108 -12.152 2.236 11.773 790 HA LEU 108 HA LEU 108 -12.070 2.440 14.636 791 HB2 LEU 108 1HB LEU 108 -14.268 3.469 12.872 792 HB3 LEU 108 2HB LEU 108 -13.728 4.094 14.428 793 HG LEU 108 HG LEU 108 -12.091 4.228 11.899 794 HD11 LEU 108 1HD1 LEU 108 -12.877 6.354 11.480 795 HD12 LEU 108 2HD1 LEU 108 -13.477 6.573 13.123 796 HD13 LEU 108 3HD1 LEU 108 -14.342 5.523 12.002 797 HD21 LEU 108 1HD2 LEU 108 -11.448 6.227 13.790 798 HD22 LEU 108 2HD2 LEU 108 -10.452 4.876 13.245 799 HD23 LEU 108 3HD2 LEU 108 -11.503 4.688 14.650 800 H SER 109 H SER 109 -13.612 1.754 16.116 801 HA SER 109 HA SER 109 -15.150 -0.573 15.261 802 HB2 SER 109 1HB SER 109 -13.933 -1.101 17.183 803 HB3 SER 109 2HB SER 109 -14.224 0.475 17.919 804 HG SER 109 HG SER 109 -16.428 -1.159 17.403 805 H ASP 110 H ASP 110 -17.276 -0.539 14.969 806 HA ASP 110 HA ASP 110 -18.751 1.896 15.440 807 HB2 ASP 110 1HB ASP 110 -19.335 0.881 13.416 808 HB3 ASP 110 2HB ASP 110 -19.373 -0.731 14.125 809 H SER 111 H SER 111 -19.815 2.357 17.238 810 HA SER 111 HA SER 111 -20.229 0.303 19.245 811 HB2 SER 111 1HB SER 111 -20.946 2.190 20.683 812 HB3 SER 111 2HB SER 111 -19.360 2.468 19.963 813 HG SER 111 HG SER 111 -21.662 3.883 19.677 814 H GLY 112 H GLY 112 -22.189 2.516 17.286 815 HA2 GLY 112 1HA GLY 112 -24.268 1.333 16.438 816 HA3 GLY 112 2HA GLY 112 -24.588 1.023 18.138 817 HA PRO 113 HA PRO 113 -26.872 4.758 18.355 818 HB2 PRO 113 1HB PRO 113 -26.533 5.403 20.970 819 HB3 PRO 113 2HB PRO 113 -27.560 4.067 20.435 820 HG2 PRO 113 1HG PRO 113 -24.757 3.999 21.484 821 HG3 PRO 113 2HG PRO 113 -26.118 2.925 21.858 822 HD2 PRO 113 1HD PRO 113 -24.159 2.242 20.118 823 HD3 PRO 113 2HD PRO 113 -25.836 1.690 19.932 824 H SER 114 H SER 114 -26.671 7.071 19.254 825 HA SER 114 HA SER 114 -23.991 8.103 19.508 826 HB2 SER 114 1HB SER 114 -24.606 7.780 16.968 827 HB3 SER 114 2HB SER 114 -25.537 9.257 17.217 828 HG SER 114 HG SER 114 -23.343 9.900 18.264 829 H SER 115 H SER 115 -24.201 9.506 21.111 830 HA SER 115 HA SER 115 -26.205 11.597 20.959 831 HB2 SER 115 1HB SER 115 -26.213 9.459 23.064 832 HB3 SER 115 2HB SER 115 -26.747 11.090 23.472 833 HG SER 115 HG SER 115 -28.160 9.216 22.327 834 H GLY 116 H GLY 116 -25.641 13.451 22.070 835 HA2 GLY 116 1HA GLY 116 -22.860 13.528 22.969 836 HA3 GLY 116 2HA GLY 116 -23.865 14.917 22.579 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -14.230 -18.032 -26.712 2 HA2 GLY 1 1HA GLY 1 -13.297 -17.635 -24.136 3 HA3 GLY 1 2HA GLY 1 -14.551 -18.860 -24.009 4 H SER 2 H SER 2 -11.649 -19.042 -23.538 5 HA SER 2 HA SER 2 -11.205 -21.472 -25.045 6 HB2 SER 2 1HB SER 2 -9.119 -20.839 -26.035 7 HB3 SER 2 2HB SER 2 -10.289 -19.595 -26.474 8 HG SER 2 HG SER 2 -8.350 -19.453 -24.405 9 H SER 3 H SER 3 -8.928 -22.373 -24.391 10 HA SER 3 HA SER 3 -8.075 -21.623 -21.732 11 HB2 SER 3 1HB SER 3 -10.067 -23.110 -21.366 12 HB3 SER 3 2HB SER 3 -9.184 -24.403 -22.177 13 HG SER 3 HG SER 3 -8.550 -23.101 -19.745 14 H GLY 4 H GLY 4 -6.306 -23.170 -20.960 15 HA2 GLY 4 1HA GLY 4 -4.933 -24.980 -22.461 16 HA3 GLY 4 2HA GLY 4 -4.407 -23.433 -23.108 17 H SER 5 H SER 5 -2.754 -25.365 -21.804 18 HA SER 5 HA SER 5 -2.100 -24.011 -19.277 19 HB2 SER 5 1HB SER 5 -2.527 -26.498 -19.245 20 HB3 SER 5 2HB SER 5 -1.077 -26.692 -20.229 21 HG SER 5 HG SER 5 -0.188 -26.801 -18.307 22 H SER 6 H SER 6 -0.295 -22.846 -19.104 23 HA SER 6 HA SER 6 1.912 -23.297 -20.966 24 HB2 SER 6 1HB SER 6 0.756 -21.584 -22.136 25 HB3 SER 6 2HB SER 6 0.417 -20.694 -20.651 26 HG SER 6 HG SER 6 2.979 -21.099 -21.807 27 H GLY 7 H GLY 7 3.879 -23.018 -20.062 28 HA2 GLY 7 1HA GLY 7 4.263 -22.990 -17.340 29 HA3 GLY 7 2HA GLY 7 5.489 -22.504 -18.502 30 H ARG 8 H ARG 8 5.208 -21.415 -15.906 31 HA ARG 8 HA ARG 8 3.775 -19.039 -15.744 32 HB2 ARG 8 1HB ARG 8 5.415 -18.366 -14.023 33 HB3 ARG 8 2HB ARG 8 4.850 -20.017 -13.802 34 HG2 ARG 8 1HG ARG 8 6.887 -20.910 -14.653 35 HG3 ARG 8 2HG ARG 8 7.435 -19.314 -15.168 36 HD2 ARG 8 1HD ARG 8 8.596 -19.677 -13.182 37 HD3 ARG 8 2HD ARG 8 7.233 -18.673 -12.688 38 HE ARG 8 HE ARG 8 6.608 -21.428 -12.434 39 HH11 ARG 8 2HH1 ARG 8 8.409 -18.855 -10.932 40 HH12 ARG 8 1HH1 ARG 8 8.325 -19.545 -9.346 41 HH21 ARG 8 2HH2 ARG 8 6.490 -22.347 -10.349 42 HH22 ARG 8 1HH2 ARG 8 7.234 -21.532 -9.015 43 H VAL 9 H VAL 9 4.118 -16.964 -16.381 44 HA VAL 9 HA VAL 9 6.271 -16.545 -18.328 45 HB VAL 9 HB VAL 9 3.770 -14.927 -17.817 46 HG11 VAL 9 1HG1 VAL 9 4.518 -13.332 -19.198 47 HG12 VAL 9 2HG1 VAL 9 6.119 -14.007 -18.886 48 HG13 VAL 9 3HG1 VAL 9 5.216 -14.501 -20.319 49 HG21 VAL 9 1HG2 VAL 9 3.593 -15.840 -20.364 50 HG22 VAL 9 2HG2 VAL 9 4.413 -17.190 -19.579 51 HG23 VAL 9 3HG2 VAL 9 2.856 -16.630 -18.970 52 H GLU 10 H GLU 10 7.886 -15.135 -17.997 53 HA GLU 10 HA GLU 10 7.665 -13.197 -15.811 54 HB2 GLU 10 1HB GLU 10 8.807 -15.164 -14.887 55 HB3 GLU 10 2HB GLU 10 9.992 -15.091 -16.183 56 HG2 GLU 10 1HG GLU 10 11.022 -13.218 -15.322 57 HG3 GLU 10 2HG GLU 10 9.598 -12.731 -14.403 58 H THR 11 H THR 11 9.101 -11.406 -15.977 59 HA THR 11 HA THR 11 10.387 -11.100 -18.609 60 HB THR 11 HB THR 11 8.741 -9.002 -17.180 61 HG1 THR 11 1HG THR 11 8.316 -10.562 -19.519 62 HG21 THR 11 1HG2 THR 11 10.373 -8.893 -19.714 63 HG22 THR 11 2HG2 THR 11 10.562 -7.904 -18.266 64 HG23 THR 11 3HG2 THR 11 9.144 -7.700 -19.295 65 H GLN 12 H GLN 12 12.489 -10.777 -18.354 66 HA GLN 12 HA GLN 12 13.921 -10.456 -16.088 67 HB2 GLN 12 1HB GLN 12 15.738 -9.592 -17.408 68 HB3 GLN 12 2HB GLN 12 14.869 -10.782 -18.368 69 HG2 GLN 12 1HG GLN 12 13.831 -9.096 -19.674 70 HG3 GLN 12 2HG GLN 12 14.397 -7.824 -18.593 71 HE21 GLN 12 1HE2 GLN 12 14.868 -9.073 -21.521 72 HE22 GLN 12 2HE2 GLN 12 16.547 -8.735 -21.749 73 HA PRO 13 HA PRO 13 13.079 -6.500 -14.366 74 HB2 PRO 13 1HB PRO 13 15.392 -6.093 -13.004 75 HB3 PRO 13 2HB PRO 13 14.161 -7.249 -12.482 76 HG2 PRO 13 1HG PRO 13 16.706 -7.739 -13.980 77 HG3 PRO 13 2HG PRO 13 16.002 -8.661 -12.638 78 HD2 PRO 13 1HD PRO 13 15.790 -9.453 -15.219 79 HD3 PRO 13 2HD PRO 13 14.528 -9.778 -14.013 80 H GLU 14 H GLU 14 14.176 -4.295 -14.086 81 HA GLU 14 HA GLU 14 15.977 -3.687 -16.322 82 HB2 GLU 14 1HB GLU 14 13.455 -2.148 -15.676 83 HB3 GLU 14 2HB GLU 14 14.642 -1.703 -16.894 84 HG2 GLU 14 1HG GLU 14 12.869 -4.132 -16.896 85 HG3 GLU 14 2HG GLU 14 12.763 -2.732 -17.962 86 H VAL 15 H VAL 15 16.772 -1.351 -16.147 87 HA VAL 15 HA VAL 15 17.470 -0.855 -13.336 88 HB VAL 15 HB VAL 15 19.377 0.433 -14.197 89 HG11 VAL 15 1HG1 VAL 15 19.401 -2.098 -13.824 90 HG12 VAL 15 2HG1 VAL 15 19.376 -2.230 -15.583 91 HG13 VAL 15 3HG1 VAL 15 20.710 -1.402 -14.779 92 HG21 VAL 15 1HG2 VAL 15 18.229 -0.330 -16.872 93 HG22 VAL 15 2HG2 VAL 15 18.578 1.286 -16.257 94 HG23 VAL 15 3HG2 VAL 15 19.901 0.191 -16.659 95 H GLN 16 H GLN 16 18.049 1.575 -12.976 96 HA GLN 16 HA GLN 16 17.274 3.693 -12.681 97 HB2 GLN 16 1HB GLN 16 16.258 3.274 -15.497 98 HB3 GLN 16 2HB GLN 16 16.287 4.824 -14.666 99 HG2 GLN 16 1HG GLN 16 18.772 4.527 -14.429 100 HG3 GLN 16 2HG GLN 16 18.629 3.148 -15.518 101 HE21 GLN 16 1HE2 GLN 16 18.555 6.587 -15.222 102 HE22 GLN 16 2HE2 GLN 16 18.511 6.945 -16.912 103 H LEU 17 H LEU 17 15.682 1.576 -11.696 104 HA LEU 17 HA LEU 17 12.922 2.116 -12.303 105 HB2 LEU 17 1HB LEU 17 14.411 0.289 -10.503 106 HB3 LEU 17 2HB LEU 17 12.747 0.674 -10.071 107 HG LEU 17 HG LEU 17 11.874 -0.446 -11.890 108 HD11 LEU 17 1HD1 LEU 17 13.260 -1.101 -13.867 109 HD12 LEU 17 2HD1 LEU 17 14.565 -0.121 -13.200 110 HD13 LEU 17 3HD1 LEU 17 13.041 0.637 -13.660 111 HD21 LEU 17 1HD2 LEU 17 13.800 -2.426 -12.144 112 HD22 LEU 17 2HD2 LEU 17 12.479 -2.383 -10.977 113 HD23 LEU 17 3HD2 LEU 17 14.068 -1.759 -10.534 114 HA PRO 18 HA PRO 18 11.999 5.231 -9.355 115 HB2 PRO 18 1HB PRO 18 9.570 4.456 -8.422 116 HB3 PRO 18 2HB PRO 18 9.811 5.108 -10.047 117 HG2 PRO 18 1HG PRO 18 9.556 2.258 -9.167 118 HG3 PRO 18 2HG PRO 18 8.832 3.064 -10.571 119 HD2 PRO 18 1HD PRO 18 11.037 1.504 -10.764 120 HD3 PRO 18 2HD PRO 18 10.765 2.908 -11.816 121 H GLY 19 H GLY 19 10.963 5.435 -7.006 122 HA2 GLY 19 1HA GLY 19 12.259 3.379 -5.323 123 HA3 GLY 19 2HA GLY 19 12.341 5.096 -4.954 124 HA PRO 20 HA PRO 20 8.724 3.041 -2.749 125 HB2 PRO 20 1HB PRO 20 9.589 3.525 -0.222 126 HB3 PRO 20 2HB PRO 20 10.011 2.061 -1.117 127 HG2 PRO 20 1HG PRO 20 11.615 4.554 -0.700 128 HG3 PRO 20 2HG PRO 20 12.138 2.861 -0.624 129 HD2 PRO 20 1HD PRO 20 12.581 4.427 -2.789 130 HD3 PRO 20 2HD PRO 20 12.304 2.678 -2.916 131 H ALA 21 H ALA 21 7.001 4.312 -2.520 132 HA ALA 21 HA ALA 21 7.080 7.101 -2.605 133 HB1 ALA 21 1HB ALA 21 5.048 6.331 -3.281 134 HB2 ALA 21 2HB ALA 21 4.984 5.077 -2.041 135 HB3 ALA 21 3HB ALA 21 4.646 6.755 -1.617 136 HA PRO 22 HA PRO 22 8.323 7.745 1.665 137 HB2 PRO 22 1HB PRO 22 8.716 10.418 1.389 138 HB3 PRO 22 2HB PRO 22 9.893 9.213 0.852 139 HG2 PRO 22 1HG PRO 22 7.854 10.713 -0.746 140 HG3 PRO 22 2HG PRO 22 9.546 10.358 -1.142 141 HD2 PRO 22 1HD PRO 22 7.480 8.937 -2.165 142 HD3 PRO 22 2HD PRO 22 9.065 8.211 -1.829 143 H ASN 23 H ASN 23 7.678 9.636 3.246 144 HA ASN 23 HA ASN 23 5.956 10.305 4.603 145 HB2 ASN 23 1HB ASN 23 4.944 11.467 1.999 146 HB3 ASN 23 2HB ASN 23 4.573 12.043 3.621 147 HD21 ASN 23 1HD2 ASN 23 6.864 12.205 4.893 148 HD22 ASN 23 2HD2 ASN 23 7.978 13.256 4.091 149 H LEU 24 H LEU 24 5.563 7.685 3.859 150 HA LEU 24 HA LEU 24 2.919 7.288 2.815 151 HB2 LEU 24 1HB LEU 24 4.811 5.666 2.589 152 HB3 LEU 24 2HB LEU 24 4.648 5.326 4.311 153 HG LEU 24 HG LEU 24 2.325 4.539 3.869 154 HD11 LEU 24 1HD1 LEU 24 2.273 3.880 1.236 155 HD12 LEU 24 2HD1 LEU 24 3.032 5.470 1.180 156 HD13 LEU 24 3HD1 LEU 24 1.452 5.274 1.939 157 HD21 LEU 24 1HD2 LEU 24 2.993 2.405 2.925 158 HD22 LEU 24 2HD2 LEU 24 4.220 2.986 4.051 159 HD23 LEU 24 3HD2 LEU 24 4.484 3.119 2.312 160 H ARG 25 H ARG 25 1.255 8.008 3.994 161 HA ARG 25 HA ARG 25 1.050 7.067 6.770 162 HB2 ARG 25 1HB ARG 25 -0.303 9.401 6.935 163 HB3 ARG 25 2HB ARG 25 1.388 9.219 7.380 164 HG2 ARG 25 1HG ARG 25 1.894 9.844 4.947 165 HG3 ARG 25 2HG ARG 25 0.221 10.401 4.890 166 HD2 ARG 25 1HD ARG 25 2.019 11.293 7.105 167 HD3 ARG 25 2HD ARG 25 2.129 12.060 5.521 168 HE ARG 25 HE ARG 25 -0.561 11.995 6.338 169 HH11 ARG 25 2HH1 ARG 25 2.451 13.563 7.108 170 HH12 ARG 25 1HH1 ARG 25 1.699 15.003 7.708 171 HH21 ARG 25 2HH2 ARG 25 -1.563 13.887 7.126 172 HH22 ARG 25 1HH2 ARG 25 -0.585 15.186 7.718 173 H ALA 26 H ALA 26 -0.827 6.102 7.228 174 HA ALA 26 HA ALA 26 -3.110 6.557 5.423 175 HB1 ALA 26 1HB ALA 26 -3.001 4.443 4.763 176 HB2 ALA 26 2HB ALA 26 -1.667 4.124 5.873 177 HB3 ALA 26 3HB ALA 26 -3.333 3.942 6.422 178 H TYR 27 H TYR 27 -5.110 6.695 6.353 179 HA TYR 27 HA TYR 27 -5.387 6.140 9.208 180 HB2 TYR 27 1HB TYR 27 -6.523 8.371 9.515 181 HB3 TYR 27 2HB TYR 27 -4.783 8.450 9.262 182 HD1 TYR 27 1HD TYR 27 -8.073 9.118 7.771 183 HD2 TYR 27 2HD TYR 27 -3.861 9.444 7.267 184 HE1 TYR 27 1HE TYR 27 -8.424 10.678 5.903 185 HE2 TYR 27 2HE TYR 27 -4.200 11.007 5.398 186 HH TYR 27 HH TYR 27 -5.876 11.636 3.806 187 H ALA 28 H ALA 28 -7.373 5.420 9.773 188 HA ALA 28 HA ALA 28 -9.223 4.803 7.653 189 HB1 ALA 28 1HB ALA 28 -9.655 4.316 10.589 190 HB2 ALA 28 2HB ALA 28 -10.354 3.450 9.220 191 HB3 ALA 28 3HB ALA 28 -8.638 3.278 9.589 192 H ALA 29 H ALA 29 -10.454 6.425 6.918 193 HA ALA 29 HA ALA 29 -11.319 8.615 8.514 194 HB1 ALA 29 1HB ALA 29 -11.030 9.003 6.194 195 HB2 ALA 29 2HB ALA 29 -12.107 7.673 5.767 196 HB3 ALA 29 3HB ALA 29 -12.759 9.132 6.513 197 H SER 30 H SER 30 -12.643 5.495 7.759 198 HA SER 30 HA SER 30 -14.847 5.997 9.595 199 HB2 SER 30 1HB SER 30 -15.166 5.457 6.676 200 HB3 SER 30 2HB SER 30 -16.314 4.714 7.789 201 HG SER 30 HG SER 30 -17.151 6.614 8.209 202 HA PRO 31 HA PRO 31 -14.171 1.854 10.866 203 HB2 PRO 31 1HB PRO 31 -16.681 1.010 11.464 204 HB3 PRO 31 2HB PRO 31 -15.798 2.177 12.456 205 HG2 PRO 31 1HG PRO 31 -17.907 2.660 10.386 206 HG3 PRO 31 2HG PRO 31 -17.711 3.412 11.980 207 HD2 PRO 31 1HD PRO 31 -16.944 4.633 9.688 208 HD3 PRO 31 2HD PRO 31 -16.097 4.876 11.230 209 H THR 32 H THR 32 -15.839 2.537 8.031 210 HA THR 32 HA THR 32 -15.825 -0.309 7.264 211 HB THR 32 HB THR 32 -17.740 -0.001 5.872 212 HG1 THR 32 1HG THR 32 -17.399 2.086 5.105 213 HG21 THR 32 1HG2 THR 32 -18.088 -0.254 8.368 214 HG22 THR 32 2HG2 THR 32 -19.446 0.422 7.468 215 HG23 THR 32 3HG2 THR 32 -18.398 1.481 8.411 216 H SER 33 H SER 33 -14.493 2.695 6.753 217 HA SER 33 HA SER 33 -13.342 1.820 4.215 218 HB2 SER 33 1HB SER 33 -14.492 4.595 4.582 219 HB3 SER 33 2HB SER 33 -13.720 3.958 3.130 220 HG SER 33 HG SER 33 -15.958 3.833 2.917 221 H ILE 34 H ILE 34 -11.338 2.844 3.697 222 HA ILE 34 HA ILE 34 -10.106 4.327 5.919 223 HB ILE 34 HB ILE 34 -8.857 2.047 4.384 224 HG12 ILE 34 1HG1 ILE 34 -9.410 2.350 7.342 225 HG13 ILE 34 2HG1 ILE 34 -10.420 1.433 6.230 226 HG21 ILE 34 1HG2 ILE 34 -6.902 2.452 5.895 227 HG22 ILE 34 2HG2 ILE 34 -7.175 3.706 4.686 228 HG23 ILE 34 3HG2 ILE 34 -7.658 3.975 6.360 229 HD11 ILE 34 1HD1 ILE 34 -7.682 0.599 6.018 230 HD12 ILE 34 2HD1 ILE 34 -8.237 0.514 7.690 231 HD13 ILE 34 3HD1 ILE 34 -9.117 -0.341 6.424 232 H THR 35 H THR 35 -8.410 5.747 5.348 233 HA THR 35 HA THR 35 -8.330 6.426 2.479 234 HB THR 35 HB THR 35 -8.049 8.317 4.823 235 HG1 THR 35 1HG THR 35 -10.118 8.409 2.910 236 HG21 THR 35 1HG2 THR 35 -6.815 8.730 2.549 237 HG22 THR 35 2HG2 THR 35 -7.696 10.043 3.331 238 HG23 THR 35 3HG2 THR 35 -8.427 9.169 1.985 239 H VAL 36 H VAL 36 -6.469 5.450 1.840 240 HA VAL 36 HA VAL 36 -4.055 5.712 3.443 241 HB VAL 36 HB VAL 36 -4.399 4.353 0.768 242 HG11 VAL 36 1HG1 VAL 36 -2.358 3.074 1.761 243 HG12 VAL 36 2HG1 VAL 36 -2.121 4.650 1.002 244 HG13 VAL 36 3HG1 VAL 36 -2.179 4.517 2.760 245 HG21 VAL 36 1HG2 VAL 36 -5.844 3.205 2.224 246 HG22 VAL 36 2HG2 VAL 36 -4.356 2.259 2.219 247 HG23 VAL 36 3HG2 VAL 36 -4.717 3.327 3.575 248 H THR 37 H THR 37 -2.448 7.105 3.056 249 HA THR 37 HA THR 37 -2.488 8.609 0.521 250 HB THR 37 HB THR 37 -2.207 10.638 1.549 251 HG1 THR 37 1HG THR 37 -0.918 9.140 3.552 252 HG21 THR 37 1HG2 THR 37 -3.986 10.871 2.935 253 HG22 THR 37 2HG2 THR 37 -3.454 9.577 4.009 254 HG23 THR 37 3HG2 THR 37 -4.270 9.188 2.495 255 H TRP 38 H TRP 38 -0.433 9.435 -0.186 256 HA TRP 38 HA TRP 38 1.988 8.644 1.124 257 HB2 TRP 38 1HB TRP 38 2.796 7.132 -0.648 258 HB3 TRP 38 2HB TRP 38 1.372 6.485 0.162 259 HD1 TRP 38 HD TRP 38 2.540 7.860 -3.203 260 HE1 TRP 38 1HE TRP 38 0.766 7.307 -4.984 261 HE3 TRP 38 3HE TRP 38 -1.139 6.052 -0.148 262 HZ2 TRP 38 2HZ TRP 38 -1.848 6.246 -5.080 263 HZ3 TRP 38 3HZ TRP 38 -3.246 5.289 -1.164 264 HH2 TRP 38 HH TRP 38 -3.592 5.385 -3.579 265 H GLU 39 H GLU 39 3.927 9.209 -0.215 266 HA GLU 39 HA GLU 39 3.298 11.500 -1.956 267 HB2 GLU 39 1HB GLU 39 5.418 11.055 0.099 268 HB3 GLU 39 2HB GLU 39 5.780 12.095 -1.272 269 HG2 GLU 39 1HG GLU 39 3.345 12.506 0.427 270 HG3 GLU 39 2HG GLU 39 4.911 13.195 0.851 271 H THR 40 H THR 40 5.018 11.999 -3.581 272 HA THR 40 HA THR 40 5.677 9.569 -5.017 273 HB THR 40 HB THR 40 5.850 12.490 -5.735 274 HG1 THR 40 1HG THR 40 4.266 11.866 -7.234 275 HG21 THR 40 1HG2 THR 40 6.669 11.849 -7.930 276 HG22 THR 40 2HG2 THR 40 6.709 10.154 -7.446 277 HG23 THR 40 3HG2 THR 40 7.801 11.313 -6.689 278 HA PRO 41 HA PRO 41 9.852 9.421 -3.558 279 HB2 PRO 41 1HB PRO 41 10.788 7.630 -5.372 280 HB3 PRO 41 2HB PRO 41 9.758 7.170 -4.011 281 HG2 PRO 41 1HG PRO 41 9.016 7.643 -6.872 282 HG3 PRO 41 2HG PRO 41 8.484 6.354 -5.777 283 HD2 PRO 41 1HD PRO 41 6.960 8.525 -6.320 284 HD3 PRO 41 2HD PRO 41 6.921 7.700 -4.749 285 H VAL 42 H VAL 42 11.257 11.015 -3.909 286 HA VAL 42 HA VAL 42 11.546 12.259 -6.484 287 HB VAL 42 HB VAL 42 12.976 13.829 -5.439 288 HG11 VAL 42 1HG1 VAL 42 10.678 14.099 -4.781 289 HG12 VAL 42 2HG1 VAL 42 10.873 12.930 -3.474 290 HG13 VAL 42 3HG1 VAL 42 11.714 14.479 -3.405 291 HG21 VAL 42 1HG2 VAL 42 13.212 11.962 -3.082 292 HG22 VAL 42 2HG2 VAL 42 14.441 12.170 -4.330 293 HG23 VAL 42 3HG2 VAL 42 14.013 13.521 -3.280 294 H SER 43 H SER 43 13.168 9.774 -4.722 295 HA SER 43 HA SER 43 15.718 9.926 -5.901 296 HB2 SER 43 1HB SER 43 15.121 8.563 -3.880 297 HB3 SER 43 2HB SER 43 14.319 7.417 -4.954 298 HG SER 43 HG SER 43 16.820 7.396 -4.289 299 H GLY 44 H GLY 44 12.784 8.178 -6.849 300 HA2 GLY 44 1HA GLY 44 13.765 6.665 -8.944 301 HA3 GLY 44 2HA GLY 44 12.137 7.326 -8.882 302 H ASN 45 H ASN 45 13.429 6.991 -11.289 303 HA ASN 45 HA ASN 45 14.592 9.524 -12.081 304 HB2 ASN 45 1HB ASN 45 15.253 8.475 -14.022 305 HB3 ASN 45 2HB ASN 45 15.139 7.085 -12.946 306 HD21 ASN 45 1HD2 ASN 45 13.373 8.936 -15.368 307 HD22 ASN 45 2HD2 ASN 45 12.422 7.614 -15.946 308 H GLY 46 H GLY 46 13.747 10.760 -13.906 309 HA2 GLY 46 1HA GLY 46 11.997 12.142 -14.568 310 HA3 GLY 46 2HA GLY 46 11.440 10.623 -15.255 311 H GLU 47 H GLU 47 9.310 10.560 -14.923 312 HA GLU 47 HA GLU 47 8.349 10.989 -12.173 313 HB2 GLU 47 1HB GLU 47 7.757 12.746 -14.042 314 HB3 GLU 47 2HB GLU 47 6.570 11.538 -14.513 315 HG2 GLU 47 1HG GLU 47 5.787 11.581 -12.101 316 HG3 GLU 47 2HG GLU 47 6.774 13.030 -11.919 317 H ILE 48 H ILE 48 6.802 9.582 -11.408 318 HA ILE 48 HA ILE 48 6.753 6.988 -12.543 319 HB ILE 48 HB ILE 48 4.839 8.039 -10.463 320 HG12 ILE 48 1HG1 ILE 48 7.121 8.597 -9.788 321 HG13 ILE 48 2HG1 ILE 48 6.487 7.296 -8.786 322 HG21 ILE 48 1HG2 ILE 48 4.844 5.640 -11.703 323 HG22 ILE 48 2HG2 ILE 48 5.906 5.300 -10.337 324 HG23 ILE 48 3HG2 ILE 48 4.272 5.897 -10.055 325 HD11 ILE 48 1HD1 ILE 48 7.731 5.941 -10.815 326 HD12 ILE 48 2HD1 ILE 48 8.781 7.336 -10.567 327 HD13 ILE 48 3HD1 ILE 48 8.406 6.264 -9.218 328 H GLN 49 H GLN 49 5.264 5.951 -13.769 329 HA GLN 49 HA GLN 49 3.424 7.531 -15.275 330 HB2 GLN 49 1HB GLN 49 3.739 4.527 -15.171 331 HB3 GLN 49 2HB GLN 49 2.852 5.427 -16.394 332 HG2 GLN 49 1HG GLN 49 5.785 5.822 -15.889 333 HG3 GLN 49 2HG GLN 49 5.156 4.638 -17.033 334 HE21 GLN 49 1HE2 GLN 49 6.279 5.772 -18.683 335 HE22 GLN 49 2HE2 GLN 49 5.627 7.224 -19.354 336 H ASN 50 H ASN 50 2.913 4.701 -13.159 337 HA ASN 50 HA ASN 50 0.375 5.894 -12.298 338 HB2 ASN 50 1HB ASN 50 -0.004 4.190 -14.126 339 HB3 ASN 50 2HB ASN 50 0.635 2.973 -13.025 340 HD21 ASN 50 1HD2 ASN 50 -1.126 1.787 -12.620 341 HD22 ASN 50 2HD2 ASN 50 -2.584 2.394 -11.920 342 H TYR 51 H TYR 51 -0.546 4.609 -10.392 343 HA TYR 51 HA TYR 51 1.648 3.650 -8.677 344 HB2 TYR 51 1HB TYR 51 -0.564 5.587 -8.026 345 HB3 TYR 51 2HB TYR 51 0.282 4.694 -6.767 346 HD1 TYR 51 1HD TYR 51 2.920 4.855 -6.892 347 HD2 TYR 51 2HD TYR 51 0.240 7.668 -8.626 348 HE1 TYR 51 1HE TYR 51 4.702 6.550 -6.880 349 HE2 TYR 51 2HE TYR 51 2.015 9.371 -8.620 350 HH TYR 51 HH TYR 51 5.052 8.862 -8.484 351 H LYS 52 H LYS 52 1.298 1.787 -7.630 352 HA LYS 52 HA LYS 52 -1.383 0.592 -7.849 353 HB2 LYS 52 1HB LYS 52 0.810 -0.463 -8.874 354 HB3 LYS 52 2HB LYS 52 1.048 -1.032 -7.227 355 HG2 LYS 52 1HG LYS 52 -0.838 -2.380 -7.284 356 HG3 LYS 52 2HG LYS 52 -1.550 -1.496 -8.635 357 HD2 LYS 52 1HD LYS 52 0.613 -2.346 -9.883 358 HD3 LYS 52 2HD LYS 52 0.570 -3.590 -8.632 359 HE2 LYS 52 1HE LYS 52 -1.926 -3.817 -9.310 360 HE3 LYS 52 2HE LYS 52 -1.422 -2.995 -10.786 361 HZ1 LYS 52 1HZ LYS 52 0.445 -4.960 -10.410 362 HZ2 LYS 52 2HZ LYS 52 -0.829 -4.989 -11.522 363 HZ3 LYS 52 3HZ LYS 52 -1.017 -5.706 -10.001 364 H LEU 53 H LEU 53 -2.508 0.225 -6.052 365 HA LEU 53 HA LEU 53 -1.075 0.275 -3.478 366 HB2 LEU 53 1HB LEU 53 -2.401 2.241 -3.630 367 HB3 LEU 53 2HB LEU 53 -3.793 1.331 -4.216 368 HG LEU 53 HG LEU 53 -3.990 0.268 -1.993 369 HD11 LEU 53 1HD1 LEU 53 -2.298 0.336 -0.566 370 HD12 LEU 53 2HD1 LEU 53 -2.501 2.082 -0.424 371 HD13 LEU 53 3HD1 LEU 53 -1.406 1.417 -1.637 372 HD21 LEU 53 1HD2 LEU 53 -4.185 3.217 -2.378 373 HD22 LEU 53 2HD2 LEU 53 -4.508 2.537 -0.784 374 HD23 LEU 53 3HD2 LEU 53 -5.463 2.019 -2.174 375 H TYR 54 H TYR 54 -1.402 -1.368 -2.088 376 HA TYR 54 HA TYR 54 -3.329 -3.442 -2.897 377 HB2 TYR 54 1HB TYR 54 -0.719 -3.662 -1.392 378 HB3 TYR 54 2HB TYR 54 -1.857 -4.993 -1.565 379 HD1 TYR 54 2HD TYR 54 -0.001 -2.525 -3.670 380 HD2 TYR 54 1HD TYR 54 -1.559 -6.469 -3.318 381 HE1 TYR 54 2HE TYR 54 1.030 -3.119 -5.823 382 HE2 TYR 54 1HE TYR 54 -0.531 -7.074 -5.469 383 HH TYR 54 HH TYR 54 0.201 -5.634 -7.628 384 H TYR 55 H TYR 55 -4.282 -4.716 -1.127 385 HA TYR 55 HA TYR 55 -4.310 -3.593 1.521 386 HB2 TYR 55 1HB TYR 55 -6.616 -2.928 1.589 387 HB3 TYR 55 2HB TYR 55 -5.857 -2.094 0.238 388 HD1 TYR 55 1HD TYR 55 -6.203 -3.048 -2.100 389 HD2 TYR 55 2HD TYR 55 -8.518 -4.260 1.258 390 HE1 TYR 55 1HE TYR 55 -7.933 -3.920 -3.615 391 HE2 TYR 55 2HE TYR 55 -10.255 -5.135 -0.248 392 HH TYR 55 HH TYR 55 -10.911 -5.391 -2.350 393 H MET 56 H MET 56 -4.581 -5.202 2.918 394 HA MET 56 HA MET 56 -6.367 -7.410 2.313 395 HB2 MET 56 1HB MET 56 -4.826 -9.109 2.251 396 HB3 MET 56 2HB MET 56 -3.896 -7.830 1.484 397 HG2 MET 56 1HG MET 56 -2.937 -7.327 3.759 398 HG3 MET 56 2HG MET 56 -3.691 -8.822 4.309 399 HE1 MET 56 1HE MET 56 -0.708 -10.314 4.641 400 HE2 MET 56 2HE MET 56 -2.454 -10.322 4.887 401 HE3 MET 56 3HE MET 56 -1.719 -11.446 3.743 402 H GLU 57 H GLU 57 -6.697 -8.833 4.187 403 HA GLU 57 HA GLU 57 -6.671 -7.273 6.636 404 HB2 GLU 57 1HB GLU 57 -8.740 -8.383 6.046 405 HB3 GLU 57 2HB GLU 57 -7.923 -9.937 5.953 406 HG2 GLU 57 1HG GLU 57 -7.336 -9.513 8.431 407 HG3 GLU 57 2HG GLU 57 -8.633 -8.322 8.363 408 H LYS 58 H LYS 58 -5.424 -7.645 8.372 409 HA LYS 58 HA LYS 58 -3.069 -9.110 8.203 410 HB2 LYS 58 1HB LYS 58 -3.918 -7.260 9.902 411 HB3 LYS 58 2HB LYS 58 -4.310 -8.667 10.882 412 HG2 LYS 58 1HG LYS 58 -2.188 -8.117 11.601 413 HG3 LYS 58 2HG LYS 58 -1.874 -9.384 10.413 414 HD2 LYS 58 1HD LYS 58 -1.657 -7.414 8.740 415 HD3 LYS 58 2HD LYS 58 -1.443 -6.429 10.189 416 HE2 LYS 58 1HE LYS 58 0.573 -7.374 10.699 417 HE3 LYS 58 2HE LYS 58 0.164 -8.915 9.946 418 HZ1 LYS 58 1HZ LYS 58 1.887 -7.437 8.809 419 HZ2 LYS 58 2HZ LYS 58 0.576 -6.490 8.315 420 HZ3 LYS 58 3HZ LYS 58 0.672 -8.112 7.844 421 H GLY 59 H GLY 59 -3.209 -11.237 7.665 422 HA2 GLY 59 1HA GLY 59 -3.121 -13.404 8.845 423 HA3 GLY 59 2HA GLY 59 -4.663 -12.969 9.568 424 H THR 60 H THR 60 -3.918 -12.338 6.212 425 HA THR 60 HA THR 60 -5.834 -14.447 5.451 426 HB THR 60 HB THR 60 -5.415 -12.070 3.693 427 HG1 THR 60 1HG THR 60 -6.324 -10.756 5.074 428 HG21 THR 60 1HG2 THR 60 -7.558 -14.087 4.225 429 HG22 THR 60 2HG2 THR 60 -6.839 -13.593 2.692 430 HG23 THR 60 3HG2 THR 60 -7.983 -12.531 3.513 431 H ASP 61 H ASP 61 -2.820 -12.829 4.737 432 HA ASP 61 HA ASP 61 -1.036 -13.410 3.451 433 HB2 ASP 61 1HB ASP 61 -2.415 -16.103 3.407 434 HB3 ASP 61 2HB ASP 61 -0.771 -15.804 2.848 435 H LYS 62 H LYS 62 -3.589 -12.420 2.277 436 HA LYS 62 HA LYS 62 -2.875 -12.898 -0.499 437 HB2 LYS 62 1HB LYS 62 -4.507 -14.629 -0.199 438 HB3 LYS 62 2HB LYS 62 -5.604 -13.531 0.628 439 HG2 LYS 62 1HG LYS 62 -6.575 -13.570 -1.426 440 HG3 LYS 62 2HG LYS 62 -5.459 -12.221 -1.658 441 HD2 LYS 62 1HD LYS 62 -5.066 -13.484 -3.549 442 HD3 LYS 62 2HD LYS 62 -3.816 -14.083 -2.456 443 HE2 LYS 62 1HE LYS 62 -4.764 -16.010 -3.396 444 HE3 LYS 62 2HE LYS 62 -5.493 -15.885 -1.795 445 HZ1 LYS 62 1HZ LYS 62 -6.799 -16.055 -4.230 446 HZ2 LYS 62 2HZ LYS 62 -7.054 -14.476 -3.682 447 HZ3 LYS 62 3HZ LYS 62 -7.492 -15.789 -2.710 448 H GLU 63 H GLU 63 -2.443 -10.839 -1.023 449 HA GLU 63 HA GLU 63 -4.356 -8.754 -0.230 450 HB2 GLU 63 1HB GLU 63 -2.623 -7.160 -0.505 451 HB3 GLU 63 2HB GLU 63 -1.904 -8.516 0.353 452 HG2 GLU 63 1HG GLU 63 -1.706 -8.407 -2.615 453 HG3 GLU 63 2HG GLU 63 -0.659 -7.379 -1.639 454 H GLN 64 H GLN 64 -4.921 -7.110 -1.800 455 HA GLN 64 HA GLN 64 -4.994 -8.192 -4.538 456 HB2 GLN 64 1HB GLN 64 -6.963 -6.500 -3.011 457 HB3 GLN 64 2HB GLN 64 -7.024 -6.650 -4.762 458 HG2 GLN 64 1HG GLN 64 -7.688 -8.839 -4.693 459 HG3 GLN 64 2HG GLN 64 -6.961 -9.124 -3.113 460 HE21 GLN 64 1HE2 GLN 64 -9.653 -9.714 -4.080 461 HE22 GLN 64 2HE2 GLN 64 -10.734 -8.901 -3.005 462 H ASP 65 H ASP 65 -5.632 -6.165 -6.072 463 HA ASP 65 HA ASP 65 -3.844 -3.926 -5.452 464 HB2 ASP 65 1HB ASP 65 -2.607 -4.092 -7.426 465 HB3 ASP 65 2HB ASP 65 -2.750 -5.770 -6.910 466 H VAL 66 H VAL 66 -4.697 -2.008 -5.954 467 HA VAL 66 HA VAL 66 -7.006 -1.955 -7.788 468 HB VAL 66 HB VAL 66 -7.917 -0.087 -6.465 469 HG11 VAL 66 1HG1 VAL 66 -8.259 -1.555 -4.295 470 HG12 VAL 66 2HG1 VAL 66 -8.983 -2.009 -5.839 471 HG13 VAL 66 3HG1 VAL 66 -7.496 -2.789 -5.298 472 HG21 VAL 66 1HG2 VAL 66 -6.917 0.100 -4.088 473 HG22 VAL 66 2HG2 VAL 66 -5.468 -0.594 -4.815 474 HG23 VAL 66 3HG2 VAL 66 -6.110 0.934 -5.417 475 H ASP 67 H ASP 67 -6.815 -0.656 -9.490 476 HA ASP 67 HA ASP 67 -4.449 0.880 -9.908 477 HB2 ASP 67 1HB ASP 67 -6.939 0.330 -11.464 478 HB3 ASP 67 2HB ASP 67 -5.926 1.686 -11.951 479 H VAL 68 H VAL 68 -4.057 2.854 -9.182 480 HA VAL 68 HA VAL 68 -6.325 4.699 -8.810 481 HB VAL 68 HB VAL 68 -3.882 4.510 -7.041 482 HG11 VAL 68 1HG1 VAL 68 -6.336 6.252 -6.825 483 HG12 VAL 68 2HG1 VAL 68 -5.018 6.171 -5.655 484 HG13 VAL 68 3HG1 VAL 68 -4.720 6.793 -7.278 485 HG21 VAL 68 1HG2 VAL 68 -5.606 2.663 -6.840 486 HG22 VAL 68 2HG2 VAL 68 -5.256 3.568 -5.367 487 HG23 VAL 68 3HG2 VAL 68 -6.728 3.903 -6.279 488 H SER 69 H SER 69 -5.890 6.922 -9.140 489 HA SER 69 HA SER 69 -3.512 7.411 -10.807 490 HB2 SER 69 1HB SER 69 -4.812 9.189 -11.899 491 HB3 SER 69 2HB SER 69 -5.644 7.639 -12.015 492 HG SER 69 HG SER 69 -6.190 9.526 -9.976 493 H SER 70 H SER 70 -5.510 8.666 -8.202 494 HA SER 70 HA SER 70 -3.883 11.026 -7.855 495 HB2 SER 70 1HB SER 70 -6.211 9.861 -6.332 496 HB3 SER 70 2HB SER 70 -5.330 11.275 -5.755 497 HG SER 70 HG SER 70 -5.859 12.308 -7.728 498 H HIS 71 H HIS 71 -3.164 11.483 -5.491 499 HA HIS 71 HA HIS 71 -1.297 9.381 -4.793 500 HB2 HIS 71 1HB HIS 71 -1.679 12.207 -3.803 501 HB3 HIS 71 2HB HIS 71 -0.487 11.107 -3.117 502 HD1 HIS 71 1HD HIS 71 -0.989 13.493 -5.824 503 HD2 HIS 71 2HD HIS 71 1.533 10.281 -5.060 504 HE1 HIS 71 1HE HIS 71 0.912 13.729 -7.453 505 HE2 HIS 71 2HE HIS 71 2.382 11.727 -7.029 506 H SER 72 H SER 72 -4.272 10.709 -3.615 507 HA SER 72 HA SER 72 -4.088 8.971 -1.241 508 HB2 SER 72 1HB SER 72 -5.663 10.515 -0.131 509 HB3 SER 72 2HB SER 72 -4.181 11.338 -0.617 510 HG SER 72 HG SER 72 -5.405 11.958 -2.555 511 H TYR 73 H TYR 73 -5.334 7.239 -1.383 512 HA TYR 73 HA TYR 73 -7.791 7.393 -2.998 513 HB2 TYR 73 1HB TYR 73 -6.095 5.786 -3.816 514 HB3 TYR 73 2HB TYR 73 -6.169 4.945 -2.271 515 HD1 TYR 73 2HD TYR 73 -8.340 5.990 -5.118 516 HD2 TYR 73 1HD TYR 73 -7.650 3.176 -2.002 517 HE1 TYR 73 2HE TYR 73 -10.188 4.606 -5.967 518 HE2 TYR 73 1HE TYR 73 -9.495 1.783 -2.843 519 HH TYR 73 HH TYR 73 -10.823 1.415 -4.703 520 H THR 74 H THR 74 -9.653 6.225 -2.245 521 HA THR 74 HA THR 74 -9.689 5.834 0.677 522 HB THR 74 HB THR 74 -11.868 7.032 -1.045 523 HG1 THR 74 1HG THR 74 -9.860 8.224 -0.056 524 HG21 THR 74 1HG2 THR 74 -13.156 5.958 0.508 525 HG22 THR 74 2HG2 THR 74 -12.773 7.414 1.427 526 HG23 THR 74 3HG2 THR 74 -11.870 5.927 1.714 527 H ILE 75 H ILE 75 -9.855 3.714 1.022 528 HA ILE 75 HA ILE 75 -11.328 2.024 -0.832 529 HB ILE 75 HB ILE 75 -9.766 1.291 1.648 530 HG12 ILE 75 1HG1 ILE 75 -8.966 0.726 -1.195 531 HG13 ILE 75 2HG1 ILE 75 -8.569 2.265 -0.437 532 HG21 ILE 75 1HG2 ILE 75 -10.696 -0.717 1.499 533 HG22 ILE 75 2HG2 ILE 75 -11.641 -0.201 0.103 534 HG23 ILE 75 3HG2 ILE 75 -10.033 -0.888 -0.126 535 HD11 ILE 75 1HD1 ILE 75 -6.671 1.062 -0.030 536 HD12 ILE 75 2HD1 ILE 75 -7.588 0.739 1.442 537 HD13 ILE 75 3HD1 ILE 75 -7.541 -0.461 0.151 538 H ASN 76 H ASN 76 -13.344 1.343 -0.521 539 HA ASN 76 HA ASN 76 -14.525 1.671 2.160 540 HB2 ASN 76 1HB ASN 76 -16.111 1.705 -0.401 541 HB3 ASN 76 2HB ASN 76 -16.587 2.290 1.191 542 HD21 ASN 76 1HD2 ASN 76 -15.478 3.163 -1.808 543 HD22 ASN 76 2HD2 ASN 76 -14.916 4.755 -1.440 544 H GLY 77 H GLY 77 -16.019 0.095 2.870 545 HA2 GLY 77 1HA GLY 77 -17.213 -1.948 2.658 546 HA3 GLY 77 2HA GLY 77 -16.226 -2.348 1.261 547 H LEU 78 H LEU 78 -15.478 -1.440 4.626 548 HA LEU 78 HA LEU 78 -13.968 -3.957 4.862 549 HB2 LEU 78 1HB LEU 78 -13.145 -1.358 6.133 550 HB3 LEU 78 2HB LEU 78 -12.227 -2.860 6.051 551 HG LEU 78 HG LEU 78 -12.904 -1.150 3.661 552 HD11 LEU 78 1HD1 LEU 78 -11.315 -0.226 5.519 553 HD12 LEU 78 2HD1 LEU 78 -10.869 -0.099 3.818 554 HD13 LEU 78 3HD1 LEU 78 -10.166 -1.368 4.821 555 HD21 LEU 78 1HD2 LEU 78 -11.153 -2.506 2.576 556 HD22 LEU 78 2HD2 LEU 78 -12.536 -3.471 3.092 557 HD23 LEU 78 3HD2 LEU 78 -11.043 -3.495 4.032 558 H LYS 79 H LYS 79 -13.634 -4.669 7.105 559 HA LYS 79 HA LYS 79 -16.076 -4.537 8.579 560 HB2 LYS 79 1HB LYS 79 -13.406 -5.772 9.277 561 HB3 LYS 79 2HB LYS 79 -14.884 -5.993 10.205 562 HG2 LYS 79 1HG LYS 79 -15.846 -7.342 8.617 563 HG3 LYS 79 2HG LYS 79 -14.878 -6.669 7.303 564 HD2 LYS 79 1HD LYS 79 -12.951 -7.869 7.990 565 HD3 LYS 79 2HD LYS 79 -13.694 -8.318 9.527 566 HE2 LYS 79 1HE LYS 79 -13.819 -10.250 8.194 567 HE3 LYS 79 2HE LYS 79 -15.436 -9.551 8.146 568 HZ1 LYS 79 1HZ LYS 79 -13.420 -9.720 6.029 569 HZ2 LYS 79 2HZ LYS 79 -14.464 -8.389 6.026 570 HZ3 LYS 79 3HZ LYS 79 -15.093 -9.958 5.946 571 H LYS 80 H LYS 80 -15.903 -4.231 11.061 572 HA LYS 80 HA LYS 80 -14.711 -1.591 11.495 573 HB2 LYS 80 1HB LYS 80 -16.739 -3.074 13.178 574 HB3 LYS 80 2HB LYS 80 -16.230 -1.405 13.393 575 HG2 LYS 80 1HG LYS 80 -18.135 -1.017 12.246 576 HG3 LYS 80 2HG LYS 80 -17.062 -1.256 10.865 577 HD2 LYS 80 1HD LYS 80 -17.723 -3.729 11.027 578 HD3 LYS 80 2HD LYS 80 -19.039 -3.173 12.064 579 HE2 LYS 80 1HE LYS 80 -19.756 -1.646 10.247 580 HE3 LYS 80 2HE LYS 80 -18.502 -2.335 9.216 581 HZ1 LYS 80 1HZ LYS 80 -20.723 -3.880 10.440 582 HZ2 LYS 80 2HZ LYS 80 -19.565 -4.472 9.359 583 HZ3 LYS 80 3HZ LYS 80 -20.698 -3.329 8.840 584 H TYR 81 H TYR 81 -13.194 -1.193 13.026 585 HA TYR 81 HA TYR 81 -11.496 -1.592 14.485 586 HB2 TYR 81 1HB TYR 81 -13.648 -2.276 15.827 587 HB3 TYR 81 2HB TYR 81 -13.000 -3.903 15.653 588 HD1 TYR 81 2HD TYR 81 -11.280 -0.647 16.264 589 HD2 TYR 81 1HD TYR 81 -12.197 -4.533 17.735 590 HE1 TYR 81 2HE TYR 81 -9.803 -0.259 18.191 591 HE2 TYR 81 1HE TYR 81 -10.723 -4.155 19.668 592 HH TYR 81 HH TYR 81 -9.235 -2.790 20.610 593 H THR 82 H THR 82 -11.384 -2.881 11.953 594 HA THR 82 HA THR 82 -9.908 -5.340 12.643 595 HB THR 82 HB THR 82 -11.180 -4.725 9.971 596 HG1 THR 82 1HG THR 82 -12.882 -5.105 11.304 597 HG21 THR 82 1HG2 THR 82 -10.820 -7.484 10.377 598 HG22 THR 82 2HG2 THR 82 -9.316 -6.714 10.882 599 HG23 THR 82 3HG2 THR 82 -9.945 -6.438 9.258 600 H GLU 83 H GLU 83 -7.844 -5.563 11.934 601 HA GLU 83 HA GLU 83 -6.533 -3.193 10.932 602 HB2 GLU 83 1HB GLU 83 -5.698 -4.980 12.691 603 HB3 GLU 83 2HB GLU 83 -5.111 -5.799 11.251 604 HG2 GLU 83 1HG GLU 83 -3.617 -4.103 10.736 605 HG3 GLU 83 2HG GLU 83 -4.466 -2.921 11.730 606 H TYR 84 H TYR 84 -5.282 -3.074 9.030 607 HA TYR 84 HA TYR 84 -5.529 -5.210 7.072 608 HB2 TYR 84 1HB TYR 84 -6.643 -2.438 6.607 609 HB3 TYR 84 2HB TYR 84 -6.395 -3.632 5.338 610 HD1 TYR 84 2HD TYR 84 -7.700 -5.782 5.418 611 HD2 TYR 84 1HD TYR 84 -8.571 -2.493 7.973 612 HE1 TYR 84 2HE TYR 84 -9.929 -6.724 5.862 613 HE2 TYR 84 1HE TYR 84 -10.801 -3.426 8.425 614 HH TYR 84 HH TYR 84 -11.685 -6.299 8.133 615 H SER 85 H SER 85 -3.768 -5.357 5.819 616 HA SER 85 HA SER 85 -1.611 -3.484 6.259 617 HB2 SER 85 1HB SER 85 -1.434 -6.064 6.068 618 HB3 SER 85 2HB SER 85 -1.511 -5.790 4.328 619 HG SER 85 HG SER 85 0.619 -5.731 4.811 620 H PHE 86 H PHE 86 -0.773 -2.051 4.825 621 HA PHE 86 HA PHE 86 -1.946 -1.939 2.135 622 HB2 PHE 86 1HB PHE 86 -1.650 0.387 4.046 623 HB3 PHE 86 2HB PHE 86 -2.052 0.549 2.339 624 HD1 PHE 86 2HD PHE 86 -4.166 -0.639 1.515 625 HD2 PHE 86 1HD PHE 86 -3.319 0.076 5.624 626 HE1 PHE 86 2HE PHE 86 -6.551 -0.916 2.051 627 HE2 PHE 86 1HE PHE 86 -5.703 -0.201 6.167 628 HZ PHE 86 HZ PHE 86 -7.323 -0.696 4.379 629 H ARG 87 H ARG 87 -0.550 -1.429 0.527 630 HA ARG 87 HA ARG 87 2.067 -0.321 1.185 631 HB2 ARG 87 1HB ARG 87 3.266 -2.072 -0.018 632 HB3 ARG 87 2HB ARG 87 2.362 -2.755 1.327 633 HG2 ARG 87 1HG ARG 87 0.805 -3.766 -0.068 634 HG3 ARG 87 2HG ARG 87 1.205 -2.719 -1.431 635 HD2 ARG 87 1HD ARG 87 2.258 -4.652 -2.067 636 HD3 ARG 87 2HD ARG 87 3.562 -3.849 -1.193 637 HE ARG 87 HE ARG 87 1.937 -5.619 0.409 638 HH11 ARG 87 2HH1 ARG 87 4.758 -5.299 -1.606 639 HH12 ARG 87 1HH1 ARG 87 5.555 -6.684 -0.935 640 HH21 ARG 87 2HH2 ARG 87 2.976 -7.443 1.301 641 HH22 ARG 87 1HH2 ARG 87 4.539 -7.903 0.718 642 H VAL 88 H VAL 88 3.029 0.798 -0.486 643 HA VAL 88 HA VAL 88 1.372 1.124 -2.901 644 HB VAL 88 HB VAL 88 3.224 3.082 -1.540 645 HG11 VAL 88 1HG1 VAL 88 2.403 4.660 -3.338 646 HG12 VAL 88 2HG1 VAL 88 3.559 3.431 -3.855 647 HG13 VAL 88 3HG1 VAL 88 1.842 3.233 -4.207 648 HG21 VAL 88 1HG2 VAL 88 1.213 4.415 -1.246 649 HG22 VAL 88 2HG2 VAL 88 0.256 3.189 -2.077 650 HG23 VAL 88 3HG2 VAL 88 1.002 2.821 -0.522 651 H VAL 89 H VAL 89 2.241 0.774 -4.861 652 HA VAL 89 HA VAL 89 5.141 0.262 -5.004 653 HB VAL 89 HB VAL 89 2.951 -1.155 -6.528 654 HG11 VAL 89 1HG1 VAL 89 5.064 -2.615 -7.108 655 HG12 VAL 89 2HG1 VAL 89 4.657 -1.184 -8.057 656 HG13 VAL 89 3HG1 VAL 89 5.913 -1.097 -6.821 657 HG21 VAL 89 1HG2 VAL 89 4.761 -2.791 -4.964 658 HG22 VAL 89 2HG2 VAL 89 3.892 -1.627 -3.963 659 HG23 VAL 89 3HG2 VAL 89 2.997 -2.758 -4.978 660 H ALA 90 H ALA 90 6.257 1.094 -6.718 661 HA ALA 90 HA ALA 90 4.824 3.065 -8.338 662 HB1 ALA 90 1HB ALA 90 7.775 2.845 -8.477 663 HB2 ALA 90 2HB ALA 90 6.742 4.275 -8.440 664 HB3 ALA 90 3HB ALA 90 7.074 3.388 -6.952 665 H TYR 91 H TYR 91 4.702 2.987 -10.528 666 HA TYR 91 HA TYR 91 6.042 0.749 -11.891 667 HB2 TYR 91 1HB TYR 91 3.148 1.505 -11.907 668 HB3 TYR 91 2HB TYR 91 3.855 0.810 -13.361 669 HD1 TYR 91 2HD TYR 91 2.903 0.179 -9.881 670 HD2 TYR 91 1HD TYR 91 4.583 -1.505 -13.408 671 HE1 TYR 91 2HE TYR 91 2.609 -2.073 -8.938 672 HE2 TYR 91 1HE TYR 91 4.294 -3.762 -12.476 673 HH TYR 91 HH TYR 91 4.129 -4.728 -10.012 674 H ASN 92 H ASN 92 7.272 1.419 -13.509 675 HA ASN 92 HA ASN 92 6.491 3.844 -14.979 676 HB2 ASN 92 1HB ASN 92 9.259 3.124 -13.994 677 HB3 ASN 92 2HB ASN 92 8.927 4.413 -15.147 678 HD21 ASN 92 1HD2 ASN 92 10.119 5.504 -13.290 679 HD22 ASN 92 2HD2 ASN 92 9.127 6.213 -12.067 680 H LYS 93 H LYS 93 7.851 4.020 -17.063 681 HA LYS 93 HA LYS 93 7.217 1.971 -18.779 682 HB2 LYS 93 1HB LYS 93 8.748 2.977 -20.375 683 HB3 LYS 93 2HB LYS 93 7.889 4.235 -19.496 684 HG2 LYS 93 1HG LYS 93 9.842 4.574 -18.069 685 HG3 LYS 93 2HG LYS 93 10.704 3.310 -18.950 686 HD2 LYS 93 1HD LYS 93 11.482 5.145 -20.065 687 HD3 LYS 93 2HD LYS 93 10.039 4.814 -21.026 688 HE2 LYS 93 1HE LYS 93 9.882 6.630 -18.655 689 HE3 LYS 93 2HE LYS 93 10.512 7.232 -20.188 690 HZ1 LYS 93 1HZ LYS 93 8.291 7.698 -20.379 691 HZ2 LYS 93 2HZ LYS 93 7.798 6.324 -19.525 692 HZ3 LYS 93 3HZ LYS 93 8.346 6.178 -21.119 693 H HIS 94 H HIS 94 10.228 2.452 -16.988 694 HA HIS 94 HA HIS 94 11.682 0.341 -18.141 695 HB2 HIS 94 1HB HIS 94 11.998 1.245 -15.283 696 HB3 HIS 94 2HB HIS 94 13.233 0.618 -16.371 697 HD1 HIS 94 1HD HIS 94 13.968 2.263 -18.345 698 HD2 HIS 94 2HD HIS 94 11.694 3.966 -15.313 699 HE1 HIS 94 1HE HIS 94 14.271 4.747 -18.592 700 HE2 HIS 94 2HE HIS 94 12.955 5.753 -16.694 701 H GLY 95 H GLY 95 10.044 0.419 -14.965 702 HA2 GLY 95 1HA GLY 95 8.631 -1.918 -15.127 703 HA3 GLY 95 2HA GLY 95 10.248 -2.427 -14.662 704 HA PRO 96 HA PRO 96 7.633 -1.098 -10.941 705 HB2 PRO 96 1HB PRO 96 7.329 -3.555 -9.828 706 HB3 PRO 96 2HB PRO 96 6.181 -2.878 -10.990 707 HG2 PRO 96 1HG PRO 96 8.396 -4.841 -11.440 708 HG3 PRO 96 2HG PRO 96 6.742 -4.854 -12.080 709 HD2 PRO 96 1HD PRO 96 8.862 -4.018 -13.542 710 HD3 PRO 96 2HD PRO 96 7.236 -3.332 -13.738 711 H GLY 97 H GLY 97 9.139 -0.175 -9.677 712 HA2 GLY 97 1HA GLY 97 11.655 -1.394 -9.090 713 HA3 GLY 97 2HA GLY 97 11.027 0.087 -8.383 714 H VAL 98 H VAL 98 11.451 -0.257 -6.263 715 HA VAL 98 HA VAL 98 10.912 -2.782 -4.993 716 HB VAL 98 HB VAL 98 11.467 -1.512 -2.880 717 HG11 VAL 98 1HG1 VAL 98 13.903 -0.975 -3.965 718 HG12 VAL 98 2HG1 VAL 98 13.352 -2.578 -3.475 719 HG13 VAL 98 3HG1 VAL 98 13.221 -2.077 -5.161 720 HG21 VAL 98 1HG2 VAL 98 10.791 0.709 -4.006 721 HG22 VAL 98 2HG2 VAL 98 12.191 0.699 -2.933 722 HG23 VAL 98 3HG2 VAL 98 12.420 0.685 -4.682 723 H SER 99 H SER 99 9.738 -2.482 -2.709 724 HA SER 99 HA SER 99 7.193 -1.084 -3.189 725 HB2 SER 99 1HB SER 99 6.693 -3.377 -3.606 726 HB3 SER 99 2HB SER 99 7.613 -3.906 -2.197 727 HG SER 99 HG SER 99 5.171 -2.464 -2.224 728 H THR 100 H THR 100 6.367 0.024 -1.499 729 HA THR 100 HA THR 100 8.002 0.706 0.673 730 HB THR 100 HB THR 100 5.703 1.546 1.643 731 HG1 THR 100 1HG THR 100 4.940 1.478 -1.062 732 HG21 THR 100 1HG2 THR 100 6.679 2.743 -0.944 733 HG22 THR 100 2HG2 THR 100 7.571 2.881 0.571 734 HG23 THR 100 3HG2 THR 100 5.954 3.571 0.433 735 HA PRO 101 HA PRO 101 7.283 -2.340 3.750 736 HB2 PRO 101 1HB PRO 101 7.209 -0.848 6.017 737 HB3 PRO 101 2HB PRO 101 8.698 -1.149 5.114 738 HG2 PRO 101 1HG PRO 101 6.915 1.256 5.081 739 HG3 PRO 101 2HG PRO 101 8.686 1.177 5.115 740 HD2 PRO 101 1HD PRO 101 7.292 1.657 2.844 741 HD3 PRO 101 2HD PRO 101 8.836 0.782 2.849 742 H ASP 102 H ASP 102 5.532 -3.439 4.363 743 HA ASP 102 HA ASP 102 2.947 -2.792 3.988 744 HB2 ASP 102 1HB ASP 102 3.605 -4.295 6.496 745 HB3 ASP 102 2HB ASP 102 2.351 -4.615 5.301 746 H VAL 103 H VAL 103 1.422 -1.522 4.858 747 HA VAL 103 HA VAL 103 2.078 -0.121 7.369 748 HB VAL 103 HB VAL 103 0.543 0.906 4.979 749 HG11 VAL 103 1HG1 VAL 103 -0.506 2.324 6.325 750 HG12 VAL 103 2HG1 VAL 103 0.294 1.610 7.727 751 HG13 VAL 103 3HG1 VAL 103 1.050 2.952 6.868 752 HG21 VAL 103 1HG2 VAL 103 3.180 1.687 6.212 753 HG22 VAL 103 2HG2 VAL 103 2.908 1.002 4.610 754 HG23 VAL 103 3HG2 VAL 103 2.347 2.633 4.979 755 H ALA 104 H ALA 104 0.997 -1.877 8.486 756 HA ALA 104 HA ALA 104 -1.764 -2.432 8.051 757 HB1 ALA 104 1HB ALA 104 0.087 -3.046 10.344 758 HB2 ALA 104 2HB ALA 104 -1.593 -3.580 10.279 759 HB3 ALA 104 3HB ALA 104 -0.445 -4.131 9.059 760 H VAL 105 H VAL 105 -3.552 -1.562 8.952 761 HA VAL 105 HA VAL 105 -3.281 0.323 11.168 762 HB VAL 105 HB VAL 105 -3.138 1.660 9.073 763 HG11 VAL 105 1HG1 VAL 105 -5.774 0.335 8.580 764 HG12 VAL 105 2HG1 VAL 105 -5.442 1.935 7.916 765 HG13 VAL 105 3HG1 VAL 105 -4.417 0.568 7.479 766 HG21 VAL 105 1HG2 VAL 105 -5.728 2.537 10.094 767 HG22 VAL 105 2HG2 VAL 105 -4.560 2.168 11.362 768 HG23 VAL 105 3HG2 VAL 105 -4.165 3.353 10.118 769 H ARG 106 H ARG 106 -5.133 0.562 12.414 770 HA ARG 106 HA ARG 106 -7.211 -1.445 11.900 771 HB2 ARG 106 1HB ARG 106 -5.786 -1.203 14.116 772 HB3 ARG 106 2HB ARG 106 -6.996 0.016 14.495 773 HG2 ARG 106 1HG ARG 106 -8.760 -1.677 14.158 774 HG3 ARG 106 2HG ARG 106 -7.505 -2.887 13.884 775 HD2 ARG 106 1HD ARG 106 -7.823 -1.252 16.398 776 HD3 ARG 106 2HD ARG 106 -8.381 -2.912 16.193 777 HE ARG 106 HE ARG 106 -5.605 -2.645 15.608 778 HH11 ARG 106 2HH1 ARG 106 -7.904 -2.908 18.209 779 HH12 ARG 106 1HH1 ARG 106 -6.766 -3.597 19.319 780 HH21 ARG 106 2HH2 ARG 106 -4.097 -3.551 17.060 781 HH22 ARG 106 1HH2 ARG 106 -4.601 -3.962 18.665 782 H THR 107 H THR 107 -9.201 -0.850 11.347 783 HA THR 107 HA THR 107 -9.856 1.878 10.900 784 HB THR 107 HB THR 107 -12.183 0.948 10.449 785 HG1 THR 107 1HG THR 107 -12.537 -1.054 11.008 786 HG21 THR 107 1HG2 THR 107 -9.763 0.734 8.970 787 HG22 THR 107 2HG2 THR 107 -11.411 0.893 8.361 788 HG23 THR 107 3HG2 THR 107 -10.729 -0.706 8.653 789 H LEU 108 H LEU 108 -12.210 2.563 11.671 790 HA LEU 108 HA LEU 108 -11.998 2.874 14.521 791 HB2 LEU 108 1HB LEU 108 -14.260 3.761 12.746 792 HB3 LEU 108 2HB LEU 108 -13.825 4.395 14.332 793 HG LEU 108 HG LEU 108 -12.115 4.680 11.864 794 HD11 LEU 108 1HD1 LEU 108 -13.674 6.904 13.110 795 HD12 LEU 108 2HD1 LEU 108 -14.432 5.843 11.923 796 HD13 LEU 108 3HD1 LEU 108 -13.003 6.777 11.484 797 HD21 LEU 108 1HD2 LEU 108 -10.593 5.098 13.469 798 HD22 LEU 108 2HD2 LEU 108 -11.818 5.383 14.706 799 HD23 LEU 108 3HD2 LEU 108 -11.405 6.660 13.561 800 H SER 109 H SER 109 -13.678 2.374 16.040 801 HA SER 109 HA SER 109 -15.130 -0.077 15.313 802 HB2 SER 109 1HB SER 109 -13.627 -0.501 17.119 803 HB3 SER 109 2HB SER 109 -14.133 0.957 17.971 804 HG SER 109 HG SER 109 -15.173 -1.510 18.095 805 H ASP 110 H ASP 110 -17.280 -0.077 15.257 806 HA ASP 110 HA ASP 110 -18.728 2.347 15.790 807 HB2 ASP 110 1HB ASP 110 -19.255 0.815 13.886 808 HB3 ASP 110 2HB ASP 110 -19.820 -0.376 15.055 809 H SER 111 H SER 111 -18.361 2.571 18.059 810 HA SER 111 HA SER 111 -19.709 0.607 19.769 811 HB2 SER 111 1HB SER 111 -17.884 2.907 20.513 812 HB3 SER 111 2HB SER 111 -18.559 1.728 21.637 813 HG SER 111 HG SER 111 -16.633 1.347 19.613 814 H GLY 112 H GLY 112 -20.897 1.571 21.689 815 HA2 GLY 112 1HA GLY 112 -22.079 3.603 22.476 816 HA3 GLY 112 2HA GLY 112 -22.466 3.909 20.790 817 HA PRO 113 HA PRO 113 -25.561 0.981 23.058 818 HB2 PRO 113 1HB PRO 113 -27.238 2.757 24.242 819 HB3 PRO 113 2HB PRO 113 -25.844 2.054 25.070 820 HG2 PRO 113 1HG PRO 113 -26.115 4.730 23.754 821 HG3 PRO 113 2HG PRO 113 -25.355 4.316 25.302 822 HD2 PRO 113 1HD PRO 113 -23.923 4.738 23.043 823 HD3 PRO 113 2HD PRO 113 -23.411 3.591 24.298 824 H SER 114 H SER 114 -25.533 3.655 20.976 825 HA SER 114 HA SER 114 -27.865 2.643 19.568 826 HB2 SER 114 1HB SER 114 -27.715 5.390 20.784 827 HB3 SER 114 2HB SER 114 -28.680 5.095 19.338 828 HG SER 114 HG SER 114 -28.961 3.466 21.620 829 H SER 115 H SER 115 -27.980 3.324 17.379 830 HA SER 115 HA SER 115 -25.709 3.332 15.922 831 HB2 SER 115 1HB SER 115 -28.248 3.419 15.203 832 HB3 SER 115 2HB SER 115 -27.900 5.131 14.962 833 HG SER 115 HG SER 115 -26.348 3.038 13.843 834 H GLY 116 H GLY 116 -24.416 4.904 14.852 835 HA2 GLY 116 1HA GLY 116 -24.517 7.631 15.003 836 HA3 GLY 116 2HA GLY 116 -23.779 7.151 16.524 Start of MODEL 5 1 H1 GLY 1 H GLY 1 2.888 -23.564 7.481 2 HA2 GLY 1 1HA GLY 1 1.654 -24.631 5.864 3 HA3 GLY 1 2HA GLY 1 0.652 -23.188 5.901 4 H SER 2 H SER 2 1.283 -24.867 3.627 5 HA SER 2 HA SER 2 2.061 -22.783 1.799 6 HB2 SER 2 1HB SER 2 4.258 -23.711 2.513 7 HB3 SER 2 2HB SER 2 3.748 -25.294 1.926 8 HG SER 2 HG SER 2 4.335 -24.678 0.018 9 H SER 3 H SER 3 1.193 -23.076 -0.197 10 HA SER 3 HA SER 3 0.110 -25.709 -0.888 11 HB2 SER 3 1HB SER 3 -1.744 -24.501 0.158 12 HB3 SER 3 2HB SER 3 -1.491 -23.137 -0.931 13 HG SER 3 HG SER 3 -3.176 -24.554 -1.625 14 H GLY 4 H GLY 4 1.186 -26.159 -2.704 15 HA2 GLY 4 1HA GLY 4 0.763 -25.368 -5.173 16 HA3 GLY 4 2HA GLY 4 1.743 -24.017 -4.622 17 H SER 5 H SER 5 2.923 -25.012 -6.603 18 HA SER 5 HA SER 5 4.718 -27.166 -5.722 19 HB2 SER 5 1HB SER 5 4.233 -26.093 -8.513 20 HB3 SER 5 2HB SER 5 5.267 -27.460 -8.097 21 HG SER 5 HG SER 5 3.327 -28.439 -7.200 22 H SER 6 H SER 6 6.967 -26.959 -5.948 23 HA SER 6 HA SER 6 7.913 -24.228 -5.660 24 HB2 SER 6 1HB SER 6 8.660 -26.006 -4.091 25 HB3 SER 6 2HB SER 6 9.452 -26.827 -5.436 26 HG SER 6 HG SER 6 10.435 -24.519 -5.641 27 H GLY 7 H GLY 7 9.253 -23.164 -7.043 28 HA2 GLY 7 1HA GLY 7 11.001 -23.896 -8.898 29 HA3 GLY 7 2HA GLY 7 9.501 -24.304 -9.717 30 H ARG 8 H ARG 8 11.649 -21.789 -8.780 31 HA ARG 8 HA ARG 8 10.083 -19.896 -10.375 32 HB2 ARG 8 1HB ARG 8 10.392 -18.114 -8.757 33 HB3 ARG 8 2HB ARG 8 9.552 -19.463 -8.003 34 HG2 ARG 8 1HG ARG 8 12.004 -20.141 -7.300 35 HG3 ARG 8 2HG ARG 8 12.282 -18.411 -7.513 36 HD2 ARG 8 1HD ARG 8 9.908 -19.289 -5.948 37 HD3 ARG 8 2HD ARG 8 11.499 -19.410 -5.199 38 HE ARG 8 HE ARG 8 11.390 -16.869 -6.209 39 HH11 ARG 8 2HH1 ARG 8 9.464 -18.746 -3.998 40 HH12 ARG 8 1HH1 ARG 8 8.954 -17.374 -3.072 41 HH21 ARG 8 2HH2 ARG 8 10.726 -15.054 -4.997 42 HH22 ARG 8 1HH2 ARG 8 9.672 -15.274 -3.642 43 H VAL 9 H VAL 9 11.327 -18.132 -11.233 44 HA VAL 9 HA VAL 9 14.137 -18.868 -11.616 45 HB VAL 9 HB VAL 9 14.104 -17.350 -13.538 46 HG11 VAL 9 1HG1 VAL 9 11.637 -18.961 -13.918 47 HG12 VAL 9 2HG1 VAL 9 13.067 -18.822 -14.941 48 HG13 VAL 9 3HG1 VAL 9 13.121 -19.806 -13.478 49 HG21 VAL 9 1HG2 VAL 9 11.783 -16.511 -14.242 50 HG22 VAL 9 2HG2 VAL 9 11.329 -16.762 -12.556 51 HG23 VAL 9 3HG2 VAL 9 12.623 -15.635 -12.963 52 H GLU 10 H GLU 10 15.640 -16.934 -11.961 53 HA GLU 10 HA GLU 10 15.145 -14.972 -9.820 54 HB2 GLU 10 1HB GLU 10 17.790 -14.836 -10.022 55 HB3 GLU 10 2HB GLU 10 16.998 -16.038 -9.013 56 HG2 GLU 10 1HG GLU 10 17.141 -17.615 -10.962 57 HG3 GLU 10 2HG GLU 10 18.168 -16.420 -11.752 58 H THR 11 H THR 11 14.393 -13.207 -10.846 59 HA THR 11 HA THR 11 15.696 -12.310 -13.307 60 HB THR 11 HB THR 11 13.231 -11.191 -11.960 61 HG1 THR 11 1HG THR 11 12.675 -12.402 -14.255 62 HG21 THR 11 1HG2 THR 11 14.637 -10.618 -14.545 63 HG22 THR 11 2HG2 THR 11 14.013 -9.490 -13.341 64 HG23 THR 11 3HG2 THR 11 12.899 -10.360 -14.395 65 H GLN 12 H GLN 12 17.557 -11.283 -12.776 66 HA GLN 12 HA GLN 12 18.116 -9.798 -10.519 67 HB2 GLN 12 1HB GLN 12 19.177 -9.286 -13.303 68 HB3 GLN 12 2HB GLN 12 19.925 -8.770 -11.797 69 HG2 GLN 12 1HG GLN 12 19.859 -11.344 -11.269 70 HG3 GLN 12 2HG GLN 12 19.794 -11.471 -13.026 71 HE21 GLN 12 1HE2 GLN 12 21.802 -11.348 -10.417 72 HE22 GLN 12 2HE2 GLN 12 23.263 -10.868 -11.204 73 HA PRO 13 HA PRO 13 15.610 -6.185 -10.903 74 HB2 PRO 13 1HB PRO 13 16.907 -4.638 -9.088 75 HB3 PRO 13 2HB PRO 13 15.847 -5.976 -8.627 76 HG2 PRO 13 1HG PRO 13 18.834 -5.904 -8.813 77 HG3 PRO 13 2HG PRO 13 17.807 -6.627 -7.560 78 HD2 PRO 13 1HD PRO 13 18.964 -8.093 -9.522 79 HD3 PRO 13 2HD PRO 13 17.392 -8.516 -8.814 80 H GLU 14 H GLU 14 16.163 -3.656 -10.885 81 HA GLU 14 HA GLU 14 18.391 -3.232 -12.765 82 HB2 GLU 14 1HB GLU 14 15.545 -2.302 -12.916 83 HB3 GLU 14 2HB GLU 14 16.819 -1.350 -13.664 84 HG2 GLU 14 1HG GLU 14 15.901 -4.115 -14.341 85 HG3 GLU 14 2HG GLU 14 16.011 -2.696 -15.381 86 H VAL 15 H VAL 15 18.576 -0.641 -13.019 87 HA VAL 15 HA VAL 15 18.777 0.413 -10.272 88 HB VAL 15 HB VAL 15 20.984 -0.049 -11.243 89 HG11 VAL 15 1HG1 VAL 15 20.677 2.129 -13.237 90 HG12 VAL 15 2HG1 VAL 15 21.712 0.700 -13.269 91 HG13 VAL 15 3HG1 VAL 15 19.990 0.553 -13.626 92 HG21 VAL 15 1HG2 VAL 15 21.216 2.815 -11.362 93 HG22 VAL 15 2HG2 VAL 15 20.111 2.339 -10.072 94 HG23 VAL 15 3HG2 VAL 15 21.755 1.700 -10.106 95 H GLN 16 H GLN 16 17.560 0.889 -13.429 96 HA GLN 16 HA GLN 16 17.132 3.747 -13.040 97 HB2 GLN 16 1HB GLN 16 16.324 3.767 -15.324 98 HB3 GLN 16 2HB GLN 16 17.862 2.917 -15.251 99 HG2 GLN 16 1HG GLN 16 15.337 1.352 -15.072 100 HG3 GLN 16 2HG GLN 16 15.861 1.968 -16.638 101 HE21 GLN 16 1HE2 GLN 16 15.661 -0.684 -16.350 102 HE22 GLN 16 2HE2 GLN 16 17.223 -1.418 -16.271 103 H LEU 17 H LEU 17 15.805 1.906 -11.272 104 HA LEU 17 HA LEU 17 13.002 2.109 -12.118 105 HB2 LEU 17 1HB LEU 17 14.499 0.356 -10.254 106 HB3 LEU 17 2HB LEU 17 12.827 0.733 -9.843 107 HG LEU 17 HG LEU 17 11.987 -0.408 -11.689 108 HD11 LEU 17 1HD1 LEU 17 14.759 -0.286 -12.864 109 HD12 LEU 17 2HD1 LEU 17 13.327 0.579 -13.420 110 HD13 LEU 17 3HD1 LEU 17 13.409 -1.176 -13.568 111 HD21 LEU 17 1HD2 LEU 17 13.920 -2.429 -11.714 112 HD22 LEU 17 2HD2 LEU 17 12.473 -2.339 -10.708 113 HD23 LEU 17 3HD2 LEU 17 14.007 -1.706 -10.107 114 HA PRO 18 HA PRO 18 12.002 5.291 -9.269 115 HB2 PRO 18 1HB PRO 18 9.584 4.500 -8.321 116 HB3 PRO 18 2HB PRO 18 9.820 5.105 -9.965 117 HG2 PRO 18 1HG PRO 18 9.615 2.280 -8.997 118 HG3 PRO 18 2HG PRO 18 8.882 3.028 -10.428 119 HD2 PRO 18 1HD PRO 18 11.117 1.505 -10.564 120 HD3 PRO 18 2HD PRO 18 10.824 2.870 -11.661 121 H GLY 19 H GLY 19 11.256 5.709 -6.959 122 HA2 GLY 19 1HA GLY 19 12.556 3.727 -5.204 123 HA3 GLY 19 2HA GLY 19 12.451 5.449 -4.872 124 HA PRO 20 HA PRO 20 9.005 3.005 -2.741 125 HB2 PRO 20 1HB PRO 20 9.853 3.371 -0.188 126 HB3 PRO 20 2HB PRO 20 10.347 1.990 -1.176 127 HG2 PRO 20 1HG PRO 20 11.821 4.532 -0.601 128 HG3 PRO 20 2HG PRO 20 12.431 2.867 -0.634 129 HD2 PRO 20 1HD PRO 20 12.784 4.589 -2.693 130 HD3 PRO 20 2HD PRO 20 12.598 2.840 -2.933 131 H ALA 21 H ALA 21 7.251 4.244 -2.617 132 HA ALA 21 HA ALA 21 7.159 6.993 -2.487 133 HB1 ALA 21 1HB ALA 21 4.909 6.775 -2.509 134 HB2 ALA 21 2HB ALA 21 5.308 5.092 -2.856 135 HB3 ALA 21 3HB ALA 21 4.901 5.581 -1.211 136 HA PRO 22 HA PRO 22 8.479 7.476 1.794 137 HB2 PRO 22 1HB PRO 22 8.864 10.157 1.605 138 HB3 PRO 22 2HB PRO 22 10.040 8.974 1.021 139 HG2 PRO 22 1HG PRO 22 7.988 10.522 -0.514 140 HG3 PRO 22 2HG PRO 22 9.678 10.184 -0.932 141 HD2 PRO 22 1HD PRO 22 7.610 8.792 -1.989 142 HD3 PRO 22 2HD PRO 22 9.198 8.060 -1.687 143 H ASN 23 H ASN 23 7.852 9.386 3.406 144 HA ASN 23 HA ASN 23 6.121 9.954 4.811 145 HB2 ASN 23 1HB ASN 23 5.201 11.273 2.247 146 HB3 ASN 23 2HB ASN 23 4.729 11.741 3.878 147 HD21 ASN 23 1HD2 ASN 23 6.999 11.751 5.268 148 HD22 ASN 23 2HD2 ASN 23 8.127 12.884 4.614 149 H LEU 24 H LEU 24 5.691 7.384 3.945 150 HA LEU 24 HA LEU 24 3.054 7.079 2.855 151 HB2 LEU 24 1HB LEU 24 4.931 5.441 2.581 152 HB3 LEU 24 2HB LEU 24 4.725 5.018 4.280 153 HG LEU 24 HG LEU 24 2.518 4.145 3.841 154 HD11 LEU 24 1HD1 LEU 24 1.945 3.960 1.291 155 HD12 LEU 24 2HD1 LEU 24 2.946 5.407 1.177 156 HD13 LEU 24 3HD1 LEU 24 1.516 5.404 2.209 157 HD21 LEU 24 1HD2 LEU 24 4.434 3.116 1.753 158 HD22 LEU 24 2HD2 LEU 24 3.101 2.236 2.502 159 HD23 LEU 24 3HD2 LEU 24 4.504 2.702 3.466 160 H ARG 25 H ARG 25 1.416 7.826 4.068 161 HA ARG 25 HA ARG 25 1.151 6.737 6.785 162 HB2 ARG 25 1HB ARG 25 -0.141 9.081 7.079 163 HB3 ARG 25 2HB ARG 25 1.555 8.855 7.486 164 HG2 ARG 25 1HG ARG 25 2.008 9.582 5.057 165 HG3 ARG 25 2HG ARG 25 0.354 10.197 5.100 166 HD2 ARG 25 1HD ARG 25 2.654 10.980 6.880 167 HD3 ARG 25 2HD ARG 25 1.828 11.985 5.690 168 HE ARG 25 HE ARG 25 0.103 10.988 7.762 169 HH11 ARG 25 2HH1 ARG 25 2.310 13.518 6.841 170 HH12 ARG 25 1HH1 ARG 25 1.636 14.682 7.932 171 HH21 ARG 25 2HH2 ARG 25 -0.794 12.512 9.203 172 HH22 ARG 25 1HH2 ARG 25 -0.129 14.109 9.275 173 H ALA 26 H ALA 26 -0.847 6.008 7.328 174 HA ALA 26 HA ALA 26 -3.053 6.512 5.449 175 HB1 ALA 26 1HB ALA 26 -3.055 4.398 4.782 176 HB2 ALA 26 2HB ALA 26 -1.715 4.026 5.867 177 HB3 ALA 26 3HB ALA 26 -3.377 3.893 6.441 178 H TYR 27 H TYR 27 -4.965 6.959 6.379 179 HA TYR 27 HA TYR 27 -5.305 6.368 9.238 180 HB2 TYR 27 1HB TYR 27 -6.431 8.608 9.464 181 HB3 TYR 27 2HB TYR 27 -4.694 8.680 9.188 182 HD1 TYR 27 1HD TYR 27 -8.002 9.245 7.680 183 HD2 TYR 27 2HD TYR 27 -3.796 9.632 7.173 184 HE1 TYR 27 1HE TYR 27 -8.377 10.729 5.754 185 HE2 TYR 27 2HE TYR 27 -4.158 11.118 5.247 186 HH TYR 27 HH TYR 27 -5.669 11.966 3.835 187 H ALA 28 H ALA 28 -7.235 5.541 9.770 188 HA ALA 28 HA ALA 28 -9.098 4.888 7.692 189 HB1 ALA 28 1HB ALA 28 -10.263 3.627 9.340 190 HB2 ALA 28 2HB ALA 28 -8.538 3.405 9.634 191 HB3 ALA 28 3HB ALA 28 -9.473 4.498 10.654 192 H ALA 29 H ALA 29 -10.538 6.285 6.933 193 HA ALA 29 HA ALA 29 -11.383 8.575 8.468 194 HB1 ALA 29 1HB ALA 29 -10.939 8.575 5.981 195 HB2 ALA 29 2HB ALA 29 -12.464 7.708 5.798 196 HB3 ALA 29 3HB ALA 29 -12.449 9.327 6.496 197 H SER 30 H SER 30 -12.636 5.432 7.669 198 HA SER 30 HA SER 30 -14.912 5.910 9.427 199 HB2 SER 30 1HB SER 30 -15.103 5.333 6.507 200 HB3 SER 30 2HB SER 30 -16.271 4.560 7.578 201 HG SER 30 HG SER 30 -15.745 7.348 7.505 202 HA PRO 31 HA PRO 31 -14.206 1.801 10.789 203 HB2 PRO 31 1HB PRO 31 -16.721 0.906 11.285 204 HB3 PRO 31 2HB PRO 31 -15.912 2.108 12.298 205 HG2 PRO 31 1HG PRO 31 -17.934 2.512 10.128 206 HG3 PRO 31 2HG PRO 31 -17.828 3.291 11.717 207 HD2 PRO 31 1HD PRO 31 -16.985 4.497 9.444 208 HD3 PRO 31 2HD PRO 31 -16.215 4.781 11.019 209 H THR 32 H THR 32 -15.874 2.393 7.901 210 HA THR 32 HA THR 32 -15.646 -0.446 7.143 211 HB THR 32 HB THR 32 -17.594 -0.315 5.782 212 HG1 THR 32 1HG THR 32 -18.776 1.835 5.888 213 HG21 THR 32 1HG2 THR 32 -18.811 1.193 7.966 214 HG22 THR 32 2HG2 THR 32 -17.702 -0.062 8.519 215 HG23 THR 32 3HG2 THR 32 -19.058 -0.481 7.473 216 H SER 33 H SER 33 -14.358 2.510 6.708 217 HA SER 33 HA SER 33 -13.288 1.784 4.098 218 HB2 SER 33 1HB SER 33 -14.521 4.504 4.601 219 HB3 SER 33 2HB SER 33 -13.723 3.976 3.119 220 HG SER 33 HG SER 33 -15.586 2.194 3.667 221 H ILE 34 H ILE 34 -11.275 2.721 3.636 222 HA ILE 34 HA ILE 34 -10.054 4.269 5.820 223 HB ILE 34 HB ILE 34 -8.788 1.945 4.364 224 HG12 ILE 34 1HG1 ILE 34 -9.305 2.255 7.322 225 HG13 ILE 34 2HG1 ILE 34 -10.447 1.473 6.235 226 HG21 ILE 34 1HG2 ILE 34 -7.645 3.921 6.326 227 HG22 ILE 34 2HG2 ILE 34 -6.885 2.375 5.951 228 HG23 ILE 34 3HG2 ILE 34 -7.098 3.583 4.684 229 HD11 ILE 34 1HD1 ILE 34 -7.625 0.537 6.277 230 HD12 ILE 34 2HD1 ILE 34 -8.712 0.074 7.587 231 HD13 ILE 34 3HD1 ILE 34 -9.106 -0.352 5.922 232 H THR 35 H THR 35 -8.450 5.736 5.228 233 HA THR 35 HA THR 35 -8.264 6.265 2.333 234 HB THR 35 HB THR 35 -8.287 8.213 4.641 235 HG1 THR 35 1HG THR 35 -10.187 8.873 3.742 236 HG21 THR 35 1HG2 THR 35 -8.289 9.581 2.173 237 HG22 THR 35 2HG2 THR 35 -6.947 8.437 2.119 238 HG23 THR 35 3HG2 THR 35 -7.052 9.614 3.428 239 H VAL 36 H VAL 36 -6.362 5.241 1.864 240 HA VAL 36 HA VAL 36 -4.023 5.613 3.527 241 HB VAL 36 HB VAL 36 -4.161 4.286 0.820 242 HG11 VAL 36 1HG1 VAL 36 -2.252 2.977 2.165 243 HG12 VAL 36 2HG1 VAL 36 -1.928 4.409 1.186 244 HG13 VAL 36 3HG1 VAL 36 -2.112 4.558 2.934 245 HG21 VAL 36 1HG2 VAL 36 -5.792 3.294 2.380 246 HG22 VAL 36 2HG2 VAL 36 -4.485 2.181 1.974 247 HG23 VAL 36 3HG2 VAL 36 -4.488 3.007 3.533 248 H THR 37 H THR 37 -2.292 6.892 3.114 249 HA THR 37 HA THR 37 -2.344 8.504 0.649 250 HB THR 37 HB THR 37 -1.980 10.493 1.747 251 HG1 THR 37 1HG THR 37 -0.237 10.145 3.004 252 HG21 THR 37 1HG2 THR 37 -4.105 9.061 2.618 253 HG22 THR 37 2HG2 THR 37 -3.791 10.734 3.080 254 HG23 THR 37 3HG2 THR 37 -3.308 9.418 4.150 255 H TRP 38 H TRP 38 -0.280 9.309 -0.053 256 HA TRP 38 HA TRP 38 2.134 8.415 1.209 257 HB2 TRP 38 1HB TRP 38 2.894 6.974 -0.648 258 HB3 TRP 38 2HB TRP 38 1.476 6.315 0.162 259 HD1 TRP 38 HD TRP 38 2.599 7.817 -3.164 260 HE1 TRP 38 1HE TRP 38 0.782 7.368 -4.930 261 HE3 TRP 38 3HE TRP 38 -1.047 5.933 -0.116 262 HZ2 TRP 38 2HZ TRP 38 -1.850 6.351 -5.019 263 HZ3 TRP 38 3HZ TRP 38 -3.185 5.246 -1.120 264 HH2 TRP 38 HH TRP 38 -3.577 5.452 -3.521 265 H GLU 39 H GLU 39 4.069 9.090 0.005 266 HA GLU 39 HA GLU 39 3.482 11.454 -1.645 267 HB2 GLU 39 1HB GLU 39 5.611 10.818 0.346 268 HB3 GLU 39 2HB GLU 39 6.010 11.904 -0.979 269 HG2 GLU 39 1HG GLU 39 3.839 12.272 1.070 270 HG3 GLU 39 2HG GLU 39 5.338 13.189 0.928 271 H THR 40 H THR 40 5.183 12.000 -3.275 272 HA THR 40 HA THR 40 5.731 9.644 -4.874 273 HB THR 40 HB THR 40 6.148 12.581 -5.461 274 HG1 THR 40 1HG THR 40 3.973 12.052 -5.463 275 HG21 THR 40 1HG2 THR 40 7.125 12.074 -7.427 276 HG22 THR 40 2HG2 THR 40 6.090 10.670 -7.690 277 HG23 THR 40 3HG2 THR 40 7.508 10.539 -6.651 278 HA PRO 41 HA PRO 41 9.931 9.275 -3.533 279 HB2 PRO 41 1HB PRO 41 10.772 7.586 -5.485 280 HB3 PRO 41 2HB PRO 41 9.758 7.064 -4.135 281 HG2 PRO 41 1HG PRO 41 8.970 7.754 -6.939 282 HG3 PRO 41 2HG PRO 41 8.422 6.409 -5.922 283 HD2 PRO 41 1HD PRO 41 6.954 8.656 -6.281 284 HD3 PRO 41 2HD PRO 41 6.923 7.727 -4.768 285 H VAL 42 H VAL 42 11.460 10.762 -3.817 286 HA VAL 42 HA VAL 42 11.678 12.293 -6.223 287 HB VAL 42 HB VAL 42 13.461 13.490 -5.131 288 HG11 VAL 42 1HG1 VAL 42 11.160 13.971 -4.420 289 HG12 VAL 42 2HG1 VAL 42 11.326 12.791 -3.118 290 HG13 VAL 42 3HG1 VAL 42 12.323 14.246 -3.123 291 HG21 VAL 42 1HG2 VAL 42 13.371 11.589 -2.814 292 HG22 VAL 42 2HG2 VAL 42 14.459 11.322 -4.176 293 HG23 VAL 42 3HG2 VAL 42 14.596 12.793 -3.214 294 H SER 43 H SER 43 12.945 9.323 -5.228 295 HA SER 43 HA SER 43 15.300 9.533 -6.955 296 HB2 SER 43 1HB SER 43 14.445 7.292 -5.106 297 HB3 SER 43 2HB SER 43 15.972 7.381 -5.983 298 HG SER 43 HG SER 43 15.061 9.013 -3.862 299 H GLY 44 H GLY 44 14.785 9.246 -9.041 300 HA2 GLY 44 1HA GLY 44 14.090 6.732 -10.049 301 HA3 GLY 44 2HA GLY 44 12.624 7.699 -9.987 302 H ASN 45 H ASN 45 13.768 6.688 -12.361 303 HA ASN 45 HA ASN 45 14.717 9.159 -13.655 304 HB2 ASN 45 1HB ASN 45 16.435 7.561 -13.907 305 HB3 ASN 45 2HB ASN 45 15.294 6.262 -14.242 306 HD21 ASN 45 1HD2 ASN 45 15.855 5.611 -16.214 307 HD22 ASN 45 2HD2 ASN 45 15.937 6.625 -17.611 308 H GLY 46 H GLY 46 12.573 6.367 -13.954 309 HA2 GLY 46 1HA GLY 46 11.350 7.472 -16.359 310 HA3 GLY 46 2HA GLY 46 10.978 5.923 -15.618 311 H GLU 47 H GLU 47 9.050 7.781 -16.540 312 HA GLU 47 HA GLU 47 7.982 9.124 -14.205 313 HB2 GLU 47 1HB GLU 47 7.865 9.982 -16.620 314 HB3 GLU 47 2HB GLU 47 6.590 8.795 -16.855 315 HG2 GLU 47 1HG GLU 47 6.457 10.811 -14.644 316 HG3 GLU 47 2HG GLU 47 5.925 11.196 -16.280 317 H ILE 48 H ILE 48 6.608 8.253 -12.807 318 HA ILE 48 HA ILE 48 5.833 5.595 -12.809 319 HB ILE 48 HB ILE 48 4.248 7.786 -11.478 320 HG12 ILE 48 1HG1 ILE 48 6.528 8.232 -10.909 321 HG13 ILE 48 2HG1 ILE 48 5.813 7.397 -9.534 322 HG21 ILE 48 1HG2 ILE 48 3.229 5.602 -11.350 323 HG22 ILE 48 2HG2 ILE 48 4.741 4.895 -10.783 324 HG23 ILE 48 3HG2 ILE 48 3.870 6.043 -9.768 325 HD11 ILE 48 1HD1 ILE 48 7.920 6.518 -11.406 326 HD12 ILE 48 2HD1 ILE 48 7.746 6.241 -9.673 327 HD13 ILE 48 3HD1 ILE 48 6.800 5.289 -10.817 328 H GLN 49 H GLN 49 4.725 4.679 -14.428 329 HA GLN 49 HA GLN 49 2.842 5.948 -16.067 330 HB2 GLN 49 1HB GLN 49 3.293 3.030 -15.444 331 HB3 GLN 49 2HB GLN 49 2.147 3.587 -16.656 332 HG2 GLN 49 1HG GLN 49 5.094 4.191 -16.682 333 HG3 GLN 49 2HG GLN 49 4.322 2.893 -17.592 334 HE21 GLN 49 1HE2 GLN 49 3.591 3.334 -19.556 335 HE22 GLN 49 2HE2 GLN 49 3.402 4.915 -20.227 336 H ASN 50 H ASN 50 2.464 4.095 -13.092 337 HA ASN 50 HA ASN 50 -0.047 5.336 -12.535 338 HB2 ASN 50 1HB ASN 50 -1.084 3.789 -13.951 339 HB3 ASN 50 2HB ASN 50 0.020 2.492 -13.499 340 HD21 ASN 50 1HD2 ASN 50 -2.636 4.490 -12.353 341 HD22 ASN 50 2HD2 ASN 50 -3.237 3.352 -11.200 342 H TYR 51 H TYR 51 -0.824 4.866 -10.414 343 HA TYR 51 HA TYR 51 1.287 3.834 -8.664 344 HB2 TYR 51 1HB TYR 51 -1.069 5.652 -8.189 345 HB3 TYR 51 2HB TYR 51 -0.154 4.946 -6.861 346 HD1 TYR 51 1HD TYR 51 2.361 5.415 -6.774 347 HD2 TYR 51 2HD TYR 51 -0.332 7.616 -9.225 348 HE1 TYR 51 1HE TYR 51 4.002 7.241 -6.927 349 HE2 TYR 51 2HE TYR 51 1.302 9.448 -9.386 350 HH TYR 51 HH TYR 51 4.276 9.426 -7.513 351 H LYS 52 H LYS 52 1.107 1.838 -7.919 352 HA LYS 52 HA LYS 52 -1.480 0.496 -7.956 353 HB2 LYS 52 1HB LYS 52 0.846 -0.445 -8.756 354 HB3 LYS 52 2HB LYS 52 1.046 -0.828 -7.051 355 HG2 LYS 52 1HG LYS 52 0.115 -2.772 -7.747 356 HG3 LYS 52 2HG LYS 52 -1.364 -1.877 -7.388 357 HD2 LYS 52 1HD LYS 52 -0.167 -1.706 -10.120 358 HD3 LYS 52 2HD LYS 52 -1.096 -3.137 -9.667 359 HE2 LYS 52 1HE LYS 52 -2.023 -0.273 -9.719 360 HE3 LYS 52 2HE LYS 52 -2.593 -1.609 -10.718 361 HZ1 LYS 52 1HZ LYS 52 -3.062 -2.541 -8.254 362 HZ2 LYS 52 2HZ LYS 52 -4.207 -1.718 -9.187 363 HZ3 LYS 52 3HZ LYS 52 -3.318 -0.886 -8.013 364 H LEU 53 H LEU 53 -2.671 0.106 -6.200 365 HA LEU 53 HA LEU 53 -1.426 0.500 -3.559 366 HB2 LEU 53 1HB LEU 53 -2.823 2.361 -3.855 367 HB3 LEU 53 2HB LEU 53 -4.094 1.393 -4.599 368 HG LEU 53 HG LEU 53 -4.448 0.320 -2.350 369 HD11 LEU 53 1HD1 LEU 53 -3.462 2.404 -0.730 370 HD12 LEU 53 2HD1 LEU 53 -2.123 1.858 -1.740 371 HD13 LEU 53 3HD1 LEU 53 -2.991 0.704 -0.727 372 HD21 LEU 53 1HD2 LEU 53 -4.879 3.289 -2.646 373 HD22 LEU 53 2HD2 LEU 53 -5.666 2.278 -1.434 374 HD23 LEU 53 3HD2 LEU 53 -5.972 2.000 -3.149 375 H TYR 54 H TYR 54 -1.410 -1.290 -2.389 376 HA TYR 54 HA TYR 54 -3.331 -3.416 -3.008 377 HB2 TYR 54 1HB TYR 54 -0.769 -3.510 -1.401 378 HB3 TYR 54 2HB TYR 54 -1.799 -4.892 -1.760 379 HD1 TYR 54 2HD TYR 54 -0.186 -2.110 -3.680 380 HD2 TYR 54 1HD TYR 54 -1.027 -6.273 -3.426 381 HE1 TYR 54 2HE TYR 54 1.051 -2.481 -5.773 382 HE2 TYR 54 1HE TYR 54 0.209 -6.656 -5.518 383 HH TYR 54 HH TYR 54 2.340 -4.781 -6.764 384 H TYR 55 H TYR 55 -4.306 -4.615 -1.245 385 HA TYR 55 HA TYR 55 -4.321 -3.504 1.401 386 HB2 TYR 55 1HB TYR 55 -6.564 -2.719 1.485 387 HB3 TYR 55 2HB TYR 55 -5.840 -1.977 0.063 388 HD1 TYR 55 1HD TYR 55 -6.208 -3.294 -2.187 389 HD2 TYR 55 2HD TYR 55 -8.632 -3.734 1.281 390 HE1 TYR 55 1HE TYR 55 -8.031 -4.178 -3.581 391 HE2 TYR 55 2HE TYR 55 -10.462 -4.620 -0.103 392 HH TYR 55 HH TYR 55 -10.501 -4.381 -3.469 393 H MET 56 H MET 56 -4.698 -5.091 2.808 394 HA MET 56 HA MET 56 -6.493 -7.274 2.132 395 HB2 MET 56 1HB MET 56 -4.973 -8.993 2.165 396 HB3 MET 56 2HB MET 56 -3.989 -7.731 1.436 397 HG2 MET 56 1HG MET 56 -3.283 -7.232 3.882 398 HG3 MET 56 2HG MET 56 -3.876 -8.862 4.193 399 HE1 MET 56 1HE MET 56 -2.352 -10.077 4.853 400 HE2 MET 56 2HE MET 56 -1.583 -11.097 3.636 401 HE3 MET 56 3HE MET 56 -0.622 -9.929 4.543 402 H GLU 57 H GLU 57 -6.905 -8.700 4.003 403 HA GLU 57 HA GLU 57 -6.977 -7.115 6.443 404 HB2 GLU 57 1HB GLU 57 -9.009 -8.291 5.564 405 HB3 GLU 57 2HB GLU 57 -8.214 -9.820 5.914 406 HG2 GLU 57 1HG GLU 57 -8.257 -9.425 8.238 407 HG3 GLU 57 2HG GLU 57 -8.695 -7.732 8.015 408 H LYS 58 H LYS 58 -5.724 -7.453 8.162 409 HA LYS 58 HA LYS 58 -3.461 -9.045 8.119 410 HB2 LYS 58 1HB LYS 58 -4.261 -7.110 9.739 411 HB3 LYS 58 2HB LYS 58 -4.758 -8.464 10.745 412 HG2 LYS 58 1HG LYS 58 -2.660 -8.162 11.550 413 HG3 LYS 58 2HG LYS 58 -2.293 -9.278 10.232 414 HD2 LYS 58 1HD LYS 58 -1.726 -7.388 8.787 415 HD3 LYS 58 2HD LYS 58 -2.111 -6.267 10.095 416 HE2 LYS 58 1HE LYS 58 -0.022 -8.422 10.332 417 HE3 LYS 58 2HE LYS 58 0.339 -6.792 9.766 418 HZ1 LYS 58 1HZ LYS 58 -0.821 -7.490 12.410 419 HZ2 LYS 58 2HZ LYS 58 -0.487 -5.923 11.867 420 HZ3 LYS 58 3HZ LYS 58 0.778 -7.016 12.125 421 H GLY 59 H GLY 59 -3.649 -11.180 7.664 422 HA2 GLY 59 1HA GLY 59 -3.708 -13.316 8.876 423 HA3 GLY 59 2HA GLY 59 -5.234 -12.789 9.571 424 H THR 60 H THR 60 -4.312 -12.392 6.201 425 HA THR 60 HA THR 60 -6.383 -14.362 5.475 426 HB THR 60 HB THR 60 -5.724 -12.051 3.683 427 HG1 THR 60 1HG THR 60 -6.605 -10.713 5.054 428 HG21 THR 60 1HG2 THR 60 -7.138 -13.432 2.533 429 HG22 THR 60 2HG2 THR 60 -8.334 -12.455 3.386 430 HG23 THR 60 3HG2 THR 60 -7.900 -14.051 3.997 431 H ASP 61 H ASP 61 -3.213 -13.067 4.863 432 HA ASP 61 HA ASP 61 -1.435 -13.857 3.683 433 HB2 ASP 61 1HB ASP 61 -3.057 -16.396 3.409 434 HB3 ASP 61 2HB ASP 61 -1.317 -16.234 3.191 435 H LYS 62 H LYS 62 -3.683 -12.507 2.364 436 HA LYS 62 HA LYS 62 -2.961 -13.194 -0.373 437 HB2 LYS 62 1HB LYS 62 -4.942 -14.511 -0.120 438 HB3 LYS 62 2HB LYS 62 -5.795 -13.189 0.665 439 HG2 LYS 62 1HG LYS 62 -6.688 -13.130 -1.447 440 HG3 LYS 62 2HG LYS 62 -5.385 -11.947 -1.585 441 HD2 LYS 62 1HD LYS 62 -5.099 -13.225 -3.496 442 HD3 LYS 62 2HD LYS 62 -3.969 -13.978 -2.368 443 HE2 LYS 62 1HE LYS 62 -5.052 -15.811 -3.262 444 HE3 LYS 62 2HE LYS 62 -5.980 -15.518 -1.792 445 HZ1 LYS 62 1HZ LYS 62 -7.789 -15.289 -3.021 446 HZ2 LYS 62 2HZ LYS 62 -6.899 -15.578 -4.430 447 HZ3 LYS 62 3HZ LYS 62 -7.094 -13.996 -3.863 448 H GLU 63 H GLU 63 -2.093 -11.307 -0.973 449 HA GLU 63 HA GLU 63 -3.269 -8.796 -0.100 450 HB2 GLU 63 1HB GLU 63 -0.788 -9.182 -0.134 451 HB3 GLU 63 2HB GLU 63 -0.874 -9.227 -1.889 452 HG2 GLU 63 1HG GLU 63 -0.299 -7.054 -1.596 453 HG3 GLU 63 2HG GLU 63 -2.054 -6.897 -1.550 454 H GLN 64 H GLN 64 -4.114 -7.226 -1.466 455 HA GLN 64 HA GLN 64 -4.872 -8.194 -4.142 456 HB2 GLN 64 1HB GLN 64 -6.333 -6.284 -2.311 457 HB3 GLN 64 2HB GLN 64 -6.839 -6.694 -3.945 458 HG2 GLN 64 1HG GLN 64 -7.211 -8.979 -3.318 459 HG3 GLN 64 2HG GLN 64 -6.543 -8.688 -1.713 460 HE21 GLN 64 1HE2 GLN 64 -7.983 -8.425 -0.178 461 HE22 GLN 64 2HE2 GLN 64 -9.592 -7.826 -0.375 462 H ASP 65 H ASP 65 -5.606 -6.135 -5.514 463 HA ASP 65 HA ASP 65 -3.791 -3.893 -5.154 464 HB2 ASP 65 1HB ASP 65 -2.656 -4.113 -7.221 465 HB3 ASP 65 2HB ASP 65 -2.584 -5.708 -6.477 466 H VAL 66 H VAL 66 -4.660 -2.029 -5.848 467 HA VAL 66 HA VAL 66 -6.946 -2.155 -7.696 468 HB VAL 66 HB VAL 66 -8.021 -0.318 -6.383 469 HG11 VAL 66 1HG1 VAL 66 -9.274 -1.928 -5.506 470 HG12 VAL 66 2HG1 VAL 66 -8.006 -3.086 -5.913 471 HG13 VAL 66 3HG1 VAL 66 -8.022 -2.316 -4.326 472 HG21 VAL 66 1HG2 VAL 66 -7.218 0.454 -4.397 473 HG22 VAL 66 2HG2 VAL 66 -6.410 -1.064 -4.004 474 HG23 VAL 66 3HG2 VAL 66 -5.686 0.044 -5.169 475 H ASP 67 H ASP 67 -7.005 -0.606 -9.237 476 HA ASP 67 HA ASP 67 -4.668 0.949 -9.703 477 HB2 ASP 67 1HB ASP 67 -5.839 0.140 -11.614 478 HB3 ASP 67 2HB ASP 67 -7.359 0.838 -11.063 479 H VAL 68 H VAL 68 -4.193 2.950 -9.076 480 HA VAL 68 HA VAL 68 -6.377 4.716 -8.197 481 HB VAL 68 HB VAL 68 -3.746 4.303 -6.772 482 HG11 VAL 68 1HG1 VAL 68 -5.966 6.154 -5.943 483 HG12 VAL 68 2HG1 VAL 68 -4.329 6.046 -5.292 484 HG13 VAL 68 3HG1 VAL 68 -4.595 6.689 -6.913 485 HG21 VAL 68 1HG2 VAL 68 -5.353 3.763 -4.862 486 HG22 VAL 68 2HG2 VAL 68 -6.592 3.609 -6.108 487 HG23 VAL 68 3HG2 VAL 68 -5.178 2.556 -6.135 488 H SER 69 H SER 69 -6.339 6.647 -9.137 489 HA SER 69 HA SER 69 -3.891 7.459 -10.549 490 HB2 SER 69 1HB SER 69 -6.809 8.006 -11.020 491 HB3 SER 69 2HB SER 69 -5.580 9.075 -11.696 492 HG SER 69 HG SER 69 -5.222 6.342 -12.069 493 H SER 70 H SER 70 -3.601 7.947 -7.978 494 HA SER 70 HA SER 70 -3.293 10.746 -7.818 495 HB2 SER 70 1HB SER 70 -5.701 9.560 -6.492 496 HB3 SER 70 2HB SER 70 -4.856 10.889 -5.700 497 HG SER 70 HG SER 70 -5.059 11.765 -8.061 498 H HIS 71 H HIS 71 -2.861 11.345 -5.346 499 HA HIS 71 HA HIS 71 -0.867 9.414 -4.466 500 HB2 HIS 71 1HB HIS 71 -1.447 12.263 -3.647 501 HB3 HIS 71 2HB HIS 71 -0.208 11.270 -2.886 502 HD1 HIS 71 1HD HIS 71 -0.476 13.790 -5.312 503 HD2 HIS 71 2HD HIS 71 1.595 10.192 -5.142 504 HE1 HIS 71 1HE HIS 71 1.370 13.996 -7.007 505 HE2 HIS 71 2HE HIS 71 2.557 11.776 -6.947 506 H SER 72 H SER 72 -3.987 10.584 -3.572 507 HA SER 72 HA SER 72 -3.885 8.921 -1.144 508 HB2 SER 72 1HB SER 72 -5.278 10.513 0.036 509 HB3 SER 72 2HB SER 72 -3.862 11.357 -0.589 510 HG SER 72 HG SER 72 -6.498 11.375 -1.628 511 H TYR 73 H TYR 73 -5.237 7.273 -1.305 512 HA TYR 73 HA TYR 73 -7.696 7.616 -2.894 513 HB2 TYR 73 1HB TYR 73 -6.080 6.032 -3.900 514 HB3 TYR 73 2HB TYR 73 -6.134 5.066 -2.430 515 HD1 TYR 73 2HD TYR 73 -8.086 6.182 -5.356 516 HD2 TYR 73 1HD TYR 73 -7.935 3.559 -2.009 517 HE1 TYR 73 2HE TYR 73 -10.003 4.932 -6.257 518 HE2 TYR 73 1HE TYR 73 -9.851 2.301 -2.902 519 HH TYR 73 HH TYR 73 -11.860 3.433 -5.251 520 H THR 74 H THR 74 -9.502 6.181 -2.223 521 HA THR 74 HA THR 74 -9.490 5.669 0.677 522 HB THR 74 HB THR 74 -11.778 6.893 -0.878 523 HG1 THR 74 1HG THR 74 -10.336 8.114 1.233 524 HG21 THR 74 1HG2 THR 74 -12.992 5.964 0.774 525 HG22 THR 74 2HG2 THR 74 -12.312 7.245 1.778 526 HG23 THR 74 3HG2 THR 74 -11.571 5.645 1.768 527 H ILE 75 H ILE 75 -9.856 3.593 1.058 528 HA ILE 75 HA ILE 75 -11.317 2.007 -0.927 529 HB ILE 75 HB ILE 75 -9.526 1.189 1.358 530 HG12 ILE 75 1HG1 ILE 75 -9.247 0.671 -1.605 531 HG13 ILE 75 2HG1 ILE 75 -8.518 2.054 -0.795 532 HG21 ILE 75 1HG2 ILE 75 -11.559 -0.330 -0.109 533 HG22 ILE 75 2HG2 ILE 75 -9.973 -1.096 -0.043 534 HG23 ILE 75 3HG2 ILE 75 -10.801 -0.656 1.450 535 HD11 ILE 75 1HD1 ILE 75 -7.980 -0.745 0.116 536 HD12 ILE 75 2HD1 ILE 75 -7.070 -0.005 -1.202 537 HD13 ILE 75 3HD1 ILE 75 -7.039 0.718 0.406 538 H ASN 76 H ASN 76 -13.363 1.475 -0.583 539 HA ASN 76 HA ASN 76 -14.399 1.577 2.171 540 HB2 ASN 76 1HB ASN 76 -16.076 1.749 -0.328 541 HB3 ASN 76 2HB ASN 76 -16.516 2.210 1.314 542 HD21 ASN 76 1HD2 ASN 76 -14.535 3.049 -1.453 543 HD22 ASN 76 2HD2 ASN 76 -14.359 4.722 -1.057 544 H GLY 77 H GLY 77 -16.092 0.033 2.727 545 HA2 GLY 77 1HA GLY 77 -17.240 -2.011 2.450 546 HA3 GLY 77 2HA GLY 77 -16.221 -2.368 1.063 547 H LEU 78 H LEU 78 -15.435 -1.509 4.427 548 HA LEU 78 HA LEU 78 -14.002 -4.074 4.641 549 HB2 LEU 78 1HB LEU 78 -13.149 -1.481 5.912 550 HB3 LEU 78 2HB LEU 78 -12.269 -3.009 5.908 551 HG LEU 78 HG LEU 78 -12.789 -1.275 3.493 552 HD11 LEU 78 1HD1 LEU 78 -10.415 -0.779 3.582 553 HD12 LEU 78 2HD1 LEU 78 -10.247 -1.754 5.041 554 HD13 LEU 78 3HD1 LEU 78 -11.207 -0.275 5.076 555 HD21 LEU 78 1HD2 LEU 78 -11.094 -2.810 2.456 556 HD22 LEU 78 2HD2 LEU 78 -12.662 -3.544 2.792 557 HD23 LEU 78 3HD2 LEU 78 -11.292 -3.863 3.857 558 H LYS 79 H LYS 79 -13.519 -4.605 7.008 559 HA LYS 79 HA LYS 79 -16.028 -4.520 8.438 560 HB2 LYS 79 1HB LYS 79 -13.412 -5.939 8.840 561 HB3 LYS 79 2HB LYS 79 -14.610 -5.898 10.128 562 HG2 LYS 79 1HG LYS 79 -15.494 -6.750 7.425 563 HG3 LYS 79 2HG LYS 79 -14.513 -7.866 8.377 564 HD2 LYS 79 1HD LYS 79 -16.875 -6.529 9.630 565 HD3 LYS 79 2HD LYS 79 -17.118 -7.917 8.567 566 HE2 LYS 79 1HE LYS 79 -15.709 -9.288 9.956 567 HE3 LYS 79 2HE LYS 79 -15.276 -7.901 10.955 568 HZ1 LYS 79 1HZ LYS 79 -18.025 -8.004 10.989 569 HZ2 LYS 79 2HZ LYS 79 -16.979 -8.448 12.242 570 HZ3 LYS 79 3HZ LYS 79 -17.532 -9.615 11.150 571 H LYS 80 H LYS 80 -15.767 -4.286 10.950 572 HA LYS 80 HA LYS 80 -14.493 -1.678 11.394 573 HB2 LYS 80 1HB LYS 80 -16.597 -3.045 13.079 574 HB3 LYS 80 2HB LYS 80 -16.038 -1.385 13.233 575 HG2 LYS 80 1HG LYS 80 -17.933 -0.992 12.068 576 HG3 LYS 80 2HG LYS 80 -16.855 -1.295 10.703 577 HD2 LYS 80 1HD LYS 80 -17.576 -3.751 10.947 578 HD3 LYS 80 2HD LYS 80 -18.896 -3.119 11.934 579 HE2 LYS 80 1HE LYS 80 -19.911 -3.096 9.892 580 HE3 LYS 80 2HE LYS 80 -19.178 -1.493 9.866 581 HZ1 LYS 80 1HZ LYS 80 -18.864 -2.931 7.827 582 HZ2 LYS 80 2HZ LYS 80 -17.800 -3.863 8.754 583 HZ3 LYS 80 3HZ LYS 80 -17.467 -2.229 8.474 584 H TYR 81 H TYR 81 -13.085 -1.326 13.074 585 HA TYR 81 HA TYR 81 -11.456 -1.809 14.585 586 HB2 TYR 81 1HB TYR 81 -13.687 -2.622 15.753 587 HB3 TYR 81 2HB TYR 81 -12.950 -4.208 15.553 588 HD1 TYR 81 2HD TYR 81 -11.754 -0.816 16.596 589 HD2 TYR 81 1HD TYR 81 -11.919 -4.979 17.457 590 HE1 TYR 81 2HE TYR 81 -10.415 -0.443 18.625 591 HE2 TYR 81 1HE TYR 81 -10.581 -4.618 19.489 592 HH TYR 81 HH TYR 81 -9.994 -2.870 21.020 593 H THR 82 H THR 82 -11.449 -3.097 11.937 594 HA THR 82 HA THR 82 -9.865 -5.502 12.566 595 HB THR 82 HB THR 82 -11.245 -4.822 9.962 596 HG1 THR 82 1HG THR 82 -12.463 -5.568 12.001 597 HG21 THR 82 1HG2 THR 82 -9.065 -6.450 10.347 598 HG22 THR 82 2HG2 THR 82 -10.214 -6.576 9.015 599 HG23 THR 82 3HG2 THR 82 -10.414 -7.580 10.450 600 H GLU 83 H GLU 83 -7.796 -5.655 11.858 601 HA GLU 83 HA GLU 83 -6.524 -3.239 10.944 602 HB2 GLU 83 1HB GLU 83 -5.614 -5.015 12.610 603 HB3 GLU 83 2HB GLU 83 -5.148 -5.897 11.163 604 HG2 GLU 83 1HG GLU 83 -3.626 -4.263 10.507 605 HG3 GLU 83 2HG GLU 83 -4.340 -3.043 11.560 606 H TYR 84 H TYR 84 -5.338 -2.979 9.026 607 HA TYR 84 HA TYR 84 -5.633 -5.005 6.948 608 HB2 TYR 84 1HB TYR 84 -6.713 -2.194 6.745 609 HB3 TYR 84 2HB TYR 84 -6.400 -3.201 5.336 610 HD1 TYR 84 2HD TYR 84 -7.750 -5.218 4.928 611 HD2 TYR 84 1HD TYR 84 -8.606 -2.596 8.168 612 HE1 TYR 84 2HE TYR 84 -9.976 -6.238 5.158 613 HE2 TYR 84 1HE TYR 84 -10.835 -3.610 8.407 614 HH TYR 84 HH TYR 84 -11.695 -6.444 7.279 615 H SER 85 H SER 85 -3.903 -5.120 5.641 616 HA SER 85 HA SER 85 -1.708 -3.277 6.144 617 HB2 SER 85 1HB SER 85 -1.588 -5.893 5.986 618 HB3 SER 85 2HB SER 85 -1.526 -5.595 4.249 619 HG SER 85 HG SER 85 0.501 -5.168 4.528 620 H PHE 86 H PHE 86 -0.840 -1.893 4.678 621 HA PHE 86 HA PHE 86 -1.977 -1.854 1.971 622 HB2 PHE 86 1HB PHE 86 -1.697 0.525 3.817 623 HB3 PHE 86 2HB PHE 86 -2.077 0.639 2.102 624 HD1 PHE 86 2HD PHE 86 -4.199 -0.460 1.269 625 HD2 PHE 86 1HD PHE 86 -3.373 0.162 5.398 626 HE1 PHE 86 2HE PHE 86 -6.592 -0.713 1.782 627 HE2 PHE 86 1HE PHE 86 -5.765 -0.090 5.918 628 HZ PHE 86 HZ PHE 86 -7.378 -0.527 4.108 629 H ARG 87 H ARG 87 -0.549 -1.441 0.374 630 HA ARG 87 HA ARG 87 2.064 -0.314 1.035 631 HB2 ARG 87 1HB ARG 87 3.253 -2.107 -0.138 632 HB3 ARG 87 2HB ARG 87 2.364 -2.731 1.245 633 HG2 ARG 87 1HG ARG 87 0.753 -3.754 -0.103 634 HG3 ARG 87 2HG ARG 87 1.211 -2.806 -1.519 635 HD2 ARG 87 1HD ARG 87 2.199 -4.817 -2.012 636 HD3 ARG 87 2HD ARG 87 3.521 -3.994 -1.185 637 HE ARG 87 HE ARG 87 1.896 -5.527 0.599 638 HH11 ARG 87 2HH1 ARG 87 4.509 -5.700 -1.694 639 HH12 ARG 87 1HH1 ARG 87 5.207 -7.121 -0.989 640 HH21 ARG 87 2HH2 ARG 87 2.805 -7.398 1.536 641 HH22 ARG 87 1HH2 ARG 87 4.236 -8.086 0.847 642 H VAL 88 H VAL 88 2.932 0.902 -0.571 643 HA VAL 88 HA VAL 88 1.396 1.058 -3.080 644 HB VAL 88 HB VAL 88 3.096 3.196 -1.788 645 HG11 VAL 88 1HG1 VAL 88 1.187 3.921 -3.893 646 HG12 VAL 88 2HG1 VAL 88 2.842 4.470 -3.620 647 HG13 VAL 88 3HG1 VAL 88 2.544 2.935 -4.437 648 HG21 VAL 88 1HG2 VAL 88 0.485 2.366 -1.176 649 HG22 VAL 88 2HG2 VAL 88 1.308 3.826 -0.627 650 HG23 VAL 88 3HG2 VAL 88 0.324 3.867 -2.090 651 H VAL 89 H VAL 89 2.383 0.579 -4.934 652 HA VAL 89 HA VAL 89 5.328 0.434 -4.951 653 HB VAL 89 HB VAL 89 3.392 -1.372 -6.406 654 HG11 VAL 89 1HG1 VAL 89 5.033 -1.818 -7.831 655 HG12 VAL 89 2HG1 VAL 89 6.092 -0.675 -7.002 656 HG13 VAL 89 3HG1 VAL 89 6.036 -2.361 -6.486 657 HG21 VAL 89 1HG2 VAL 89 5.378 -2.536 -4.598 658 HG22 VAL 89 2HG2 VAL 89 4.174 -1.527 -3.796 659 HG23 VAL 89 3HG2 VAL 89 3.661 -2.896 -4.782 660 H ALA 90 H ALA 90 6.364 1.477 -6.547 661 HA ALA 90 HA ALA 90 4.782 3.062 -8.395 662 HB1 ALA 90 1HB ALA 90 7.178 3.473 -7.046 663 HB2 ALA 90 2HB ALA 90 7.639 3.304 -8.741 664 HB3 ALA 90 3HB ALA 90 6.454 4.521 -8.266 665 H TYR 91 H TYR 91 4.671 2.795 -10.563 666 HA TYR 91 HA TYR 91 6.216 0.576 -11.735 667 HB2 TYR 91 1HB TYR 91 3.308 1.271 -12.039 668 HB3 TYR 91 2HB TYR 91 4.153 0.367 -13.290 669 HD1 TYR 91 1HD TYR 91 4.925 -1.908 -12.876 670 HD2 TYR 91 2HD TYR 91 2.826 0.271 -9.885 671 HE1 TYR 91 1HE TYR 91 4.547 -3.994 -11.630 672 HE2 TYR 91 2HE TYR 91 2.443 -1.809 -8.630 673 HH TYR 91 HH TYR 91 3.548 -4.078 -8.446 674 H ASN 92 H ASN 92 7.692 1.475 -13.019 675 HA ASN 92 HA ASN 92 6.950 3.825 -14.615 676 HB2 ASN 92 1HB ASN 92 9.517 2.798 -13.503 677 HB3 ASN 92 2HB ASN 92 9.582 3.691 -15.019 678 HD21 ASN 92 1HD2 ASN 92 10.751 4.520 -12.598 679 HD22 ASN 92 2HD2 ASN 92 9.974 5.981 -12.102 680 H LYS 93 H LYS 93 7.693 3.934 -16.842 681 HA LYS 93 HA LYS 93 6.825 1.954 -18.477 682 HB2 LYS 93 1HB LYS 93 8.108 2.949 -20.265 683 HB3 LYS 93 2HB LYS 93 7.507 4.224 -19.214 684 HG2 LYS 93 1HG LYS 93 9.816 4.036 -18.065 685 HG3 LYS 93 2HG LYS 93 10.299 3.212 -19.549 686 HD2 LYS 93 1HD LYS 93 8.938 5.895 -19.565 687 HD3 LYS 93 2HD LYS 93 10.691 5.726 -19.445 688 HE2 LYS 93 1HE LYS 93 10.322 4.159 -21.542 689 HE3 LYS 93 2HE LYS 93 8.869 5.141 -21.724 690 HZ1 LYS 93 1HZ LYS 93 11.308 6.623 -21.227 691 HZ2 LYS 93 2HZ LYS 93 10.055 6.934 -22.319 692 HZ3 LYS 93 3HZ LYS 93 11.257 5.810 -22.710 693 H HIS 94 H HIS 94 9.892 2.093 -16.827 694 HA HIS 94 HA HIS 94 11.108 -0.031 -18.323 695 HB2 HIS 94 1HB HIS 94 11.945 0.889 -15.578 696 HB3 HIS 94 2HB HIS 94 12.944 0.171 -16.838 697 HD1 HIS 94 1HD HIS 94 13.471 1.736 -18.927 698 HD2 HIS 94 2HD HIS 94 11.771 3.625 -15.640 699 HE1 HIS 94 1HE HIS 94 13.868 4.194 -19.284 700 HE2 HIS 94 2HE HIS 94 12.906 5.310 -17.241 701 H GLY 95 H GLY 95 10.145 0.160 -14.886 702 HA2 GLY 95 1HA GLY 95 8.622 -2.190 -14.867 703 HA3 GLY 95 2HA GLY 95 10.274 -2.620 -14.447 704 HA PRO 96 HA PRO 96 7.809 -1.100 -10.702 705 HB2 PRO 96 1HB PRO 96 7.686 -3.471 -9.386 706 HB3 PRO 96 2HB PRO 96 6.447 -2.943 -10.530 707 HG2 PRO 96 1HG PRO 96 8.731 -4.833 -10.949 708 HG3 PRO 96 2HG PRO 96 7.048 -4.973 -11.492 709 HD2 PRO 96 1HD PRO 96 9.045 -4.162 -13.131 710 HD3 PRO 96 2HD PRO 96 7.379 -3.569 -13.290 711 H GLY 97 H GLY 97 9.328 -0.013 -9.595 712 HA2 GLY 97 1HA GLY 97 11.951 -0.950 -9.108 713 HA3 GLY 97 2HA GLY 97 11.193 0.431 -8.330 714 H VAL 98 H VAL 98 10.952 0.290 -6.207 715 HA VAL 98 HA VAL 98 11.164 -2.345 -4.944 716 HB VAL 98 HB VAL 98 11.676 -1.184 -2.888 717 HG11 VAL 98 1HG1 VAL 98 13.343 0.407 -4.727 718 HG12 VAL 98 2HG1 VAL 98 13.813 -0.709 -3.443 719 HG13 VAL 98 3HG1 VAL 98 13.316 -1.332 -5.017 720 HG21 VAL 98 1HG2 VAL 98 10.096 0.768 -3.546 721 HG22 VAL 98 2HG2 VAL 98 11.506 1.099 -2.540 722 HG23 VAL 98 3HG2 VAL 98 11.547 1.468 -4.264 723 H SER 99 H SER 99 9.953 -2.141 -2.612 724 HA SER 99 HA SER 99 7.192 -1.278 -3.136 725 HB2 SER 99 1HB SER 99 7.146 -3.635 -3.555 726 HB3 SER 99 2HB SER 99 8.092 -3.973 -2.105 727 HG SER 99 HG SER 99 5.694 -2.601 -1.768 728 H THR 100 H THR 100 6.457 -0.001 -1.583 729 HA THR 100 HA THR 100 7.891 0.740 0.675 730 HB THR 100 HB THR 100 5.464 1.420 1.513 731 HG1 THR 100 1HG THR 100 4.680 0.060 -0.411 732 HG21 THR 100 1HG2 THR 100 7.470 2.615 -0.100 733 HG22 THR 100 2HG2 THR 100 6.285 3.408 0.938 734 HG23 THR 100 3HG2 THR 100 5.902 3.087 -0.753 735 HA PRO 101 HA PRO 101 7.218 -2.339 3.731 736 HB2 PRO 101 1HB PRO 101 7.068 -0.838 5.989 737 HB3 PRO 101 2HB PRO 101 8.579 -1.106 5.111 738 HG2 PRO 101 1HG PRO 101 6.738 1.253 5.037 739 HG3 PRO 101 2HG PRO 101 8.510 1.219 5.100 740 HD2 PRO 101 1HD PRO 101 7.141 1.652 2.804 741 HD3 PRO 101 2HD PRO 101 8.707 0.816 2.839 742 H ASP 102 H ASP 102 5.509 -3.472 4.424 743 HA ASP 102 HA ASP 102 2.902 -2.883 3.974 744 HB2 ASP 102 1HB ASP 102 3.853 -4.454 6.377 745 HB3 ASP 102 2HB ASP 102 2.300 -4.609 5.560 746 H VAL 103 H VAL 103 1.351 -1.634 4.823 747 HA VAL 103 HA VAL 103 1.962 -0.214 7.334 748 HB VAL 103 HB VAL 103 0.286 0.747 5.010 749 HG11 VAL 103 1HG1 VAL 103 1.107 2.659 7.069 750 HG12 VAL 103 2HG1 VAL 103 -0.450 2.455 6.264 751 HG13 VAL 103 3HG1 VAL 103 -0.023 1.428 7.634 752 HG21 VAL 103 1HG2 VAL 103 2.465 2.463 5.614 753 HG22 VAL 103 2HG2 VAL 103 3.091 0.822 5.452 754 HG23 VAL 103 3HG2 VAL 103 2.165 1.547 4.138 755 H ALA 104 H ALA 104 0.962 -1.925 8.538 756 HA ALA 104 HA ALA 104 -1.787 -2.608 8.119 757 HB1 ALA 104 1HB ALA 104 0.241 -3.233 10.226 758 HB2 ALA 104 2HB ALA 104 -1.461 -3.619 10.485 759 HB3 ALA 104 3HB ALA 104 -0.596 -4.321 9.117 760 H VAL 105 H VAL 105 -3.503 -1.471 8.715 761 HA VAL 105 HA VAL 105 -3.290 0.313 11.046 762 HB VAL 105 HB VAL 105 -3.169 1.600 8.895 763 HG11 VAL 105 1HG1 VAL 105 -5.898 0.392 8.559 764 HG12 VAL 105 2HG1 VAL 105 -5.439 1.899 7.763 765 HG13 VAL 105 3HG1 VAL 105 -4.552 0.413 7.419 766 HG21 VAL 105 1HG2 VAL 105 -5.720 2.338 10.253 767 HG22 VAL 105 2HG2 VAL 105 -4.220 2.337 11.181 768 HG23 VAL 105 3HG2 VAL 105 -4.373 3.362 9.755 769 H ARG 106 H ARG 106 -5.126 0.514 12.306 770 HA ARG 106 HA ARG 106 -7.194 -1.505 11.796 771 HB2 ARG 106 1HB ARG 106 -5.789 -1.352 13.987 772 HB3 ARG 106 2HB ARG 106 -6.877 -0.030 14.389 773 HG2 ARG 106 1HG ARG 106 -8.734 -1.775 13.805 774 HG3 ARG 106 2HG ARG 106 -7.446 -2.940 14.120 775 HD2 ARG 106 1HD ARG 106 -8.280 -0.761 16.029 776 HD3 ARG 106 2HD ARG 106 -8.862 -2.423 16.104 777 HE ARG 106 HE ARG 106 -6.379 -1.454 17.068 778 HH11 ARG 106 2HH1 ARG 106 -7.849 -4.203 15.518 779 HH12 ARG 106 1HH1 ARG 106 -6.697 -5.336 16.143 780 HH21 ARG 106 2HH2 ARG 106 -4.856 -2.936 17.897 781 HH22 ARG 106 1HH2 ARG 106 -4.995 -4.614 17.497 782 H THR 107 H THR 107 -9.251 -0.959 11.404 783 HA THR 107 HA THR 107 -9.919 1.768 10.895 784 HB THR 107 HB THR 107 -12.270 0.784 10.568 785 HG1 THR 107 1HG THR 107 -11.418 -1.202 11.841 786 HG21 THR 107 1HG2 THR 107 -9.994 0.831 8.941 787 HG22 THR 107 2HG2 THR 107 -11.673 0.689 8.420 788 HG23 THR 107 3HG2 THR 107 -10.710 -0.762 8.697 789 H LEU 108 H LEU 108 -12.288 2.408 11.719 790 HA LEU 108 HA LEU 108 -11.988 2.779 14.559 791 HB2 LEU 108 1HB LEU 108 -14.337 3.605 12.875 792 HB3 LEU 108 2HB LEU 108 -13.798 4.298 14.403 793 HG LEU 108 HG LEU 108 -12.202 4.479 11.855 794 HD11 LEU 108 1HD1 LEU 108 -13.425 6.191 11.137 795 HD12 LEU 108 2HD1 LEU 108 -13.473 6.926 12.739 796 HD13 LEU 108 3HD1 LEU 108 -14.651 5.689 12.301 797 HD21 LEU 108 1HD2 LEU 108 -11.384 4.864 14.397 798 HD22 LEU 108 2HD2 LEU 108 -11.976 6.478 14.005 799 HD23 LEU 108 3HD2 LEU 108 -10.727 5.730 13.009 800 H SER 109 H SER 109 -13.663 2.316 16.119 801 HA SER 109 HA SER 109 -14.996 -0.230 15.531 802 HB2 SER 109 1HB SER 109 -15.008 -0.644 17.888 803 HB3 SER 109 2HB SER 109 -13.402 -0.038 17.487 804 HG SER 109 HG SER 109 -15.542 1.373 18.695 805 H ASP 110 H ASP 110 -17.092 -0.210 15.115 806 HA ASP 110 HA ASP 110 -18.708 2.097 15.383 807 HB2 ASP 110 1HB ASP 110 -20.521 0.724 14.583 808 HB3 ASP 110 2HB ASP 110 -19.064 0.290 13.694 809 H SER 111 H SER 111 -20.677 2.295 16.647 810 HA SER 111 HA SER 111 -20.484 0.916 19.245 811 HB2 SER 111 1HB SER 111 -21.334 3.772 18.705 812 HB3 SER 111 2HB SER 111 -21.375 2.983 20.282 813 HG SER 111 HG SER 111 -19.064 2.652 19.986 814 H GLY 112 H GLY 112 -22.760 2.743 17.189 815 HA2 GLY 112 1HA GLY 112 -24.689 0.737 17.022 816 HA3 GLY 112 2HA GLY 112 -25.090 1.719 18.423 817 HA PRO 113 HA PRO 113 -26.985 3.579 14.577 818 HB2 PRO 113 1HB PRO 113 -29.526 3.638 15.533 819 HB3 PRO 113 2HB PRO 113 -28.852 2.244 14.681 820 HG2 PRO 113 1HG PRO 113 -29.170 2.693 17.624 821 HG3 PRO 113 2HG PRO 113 -29.492 1.231 16.674 822 HD2 PRO 113 1HD PRO 113 -27.233 1.554 18.131 823 HD3 PRO 113 2HD PRO 113 -27.269 0.626 16.618 824 H SER 114 H SER 114 -27.175 4.212 18.011 825 HA SER 114 HA SER 114 -28.429 6.544 18.343 826 HB2 SER 114 1HB SER 114 -25.624 6.007 19.350 827 HB3 SER 114 2HB SER 114 -26.750 7.186 20.023 828 HG SER 114 HG SER 114 -28.127 5.048 20.057 829 H SER 115 H SER 115 -24.999 6.497 17.354 830 HA SER 115 HA SER 115 -24.861 9.220 16.705 831 HB2 SER 115 1HB SER 115 -22.733 8.763 15.801 832 HB3 SER 115 2HB SER 115 -22.944 7.533 17.048 833 HG SER 115 HG SER 115 -22.658 6.129 15.527 834 H GLY 116 H GLY 116 -25.428 10.372 14.958 835 HA2 GLY 116 1HA GLY 116 -25.714 9.222 12.353 836 HA3 GLY 116 2HA GLY 116 -27.273 9.523 13.107 Start of MODEL 6 1 H1 GLY 1 H GLY 1 -9.942 -36.952 -5.316 2 HA2 GLY 1 1HA GLY 1 -10.103 -36.421 -2.727 3 HA3 GLY 1 2HA GLY 1 -8.982 -37.774 -2.684 4 H SER 2 H SER 2 -9.025 -34.591 -2.434 5 HA SER 2 HA SER 2 -6.273 -34.331 -3.304 6 HB2 SER 2 1HB SER 2 -8.512 -32.699 -4.503 7 HB3 SER 2 2HB SER 2 -6.835 -32.154 -4.514 8 HG SER 2 HG SER 2 -7.142 -33.241 -6.405 9 H SER 3 H SER 3 -5.392 -32.136 -2.681 10 HA SER 3 HA SER 3 -6.829 -30.752 -0.582 11 HB2 SER 3 1HB SER 3 -4.196 -32.106 0.047 12 HB3 SER 3 2HB SER 3 -5.168 -31.130 1.148 13 HG SER 3 HG SER 3 -6.832 -32.729 0.896 14 H GLY 4 H GLY 4 -5.299 -29.011 0.404 15 HA2 GLY 4 1HA GLY 4 -4.151 -27.595 -1.864 16 HA3 GLY 4 2HA GLY 4 -4.456 -26.932 -0.265 17 H SER 5 H SER 5 -2.056 -26.825 -2.004 18 HA SER 5 HA SER 5 -0.132 -27.532 0.052 19 HB2 SER 5 1HB SER 5 -0.382 -29.522 -1.534 20 HB3 SER 5 2HB SER 5 0.354 -28.497 -2.766 21 HG SER 5 HG SER 5 1.543 -28.995 -0.243 22 H SER 6 H SER 6 1.779 -26.347 -0.054 23 HA SER 6 HA SER 6 1.716 -24.107 -1.961 24 HB2 SER 6 1HB SER 6 3.075 -22.881 -0.278 25 HB3 SER 6 2HB SER 6 1.504 -23.379 0.351 26 HG SER 6 HG SER 6 4.049 -24.489 0.877 27 H GLY 7 H GLY 7 3.772 -23.286 -2.736 28 HA2 GLY 7 1HA GLY 7 5.953 -25.266 -2.666 29 HA3 GLY 7 2HA GLY 7 5.366 -24.659 -4.207 30 H ARG 8 H ARG 8 6.626 -23.157 -5.055 31 HA ARG 8 HA ARG 8 7.927 -21.233 -3.245 32 HB2 ARG 8 1HB ARG 8 9.449 -23.023 -4.280 33 HB3 ARG 8 2HB ARG 8 9.182 -22.193 -5.807 34 HG2 ARG 8 1HG ARG 8 9.949 -20.088 -4.477 35 HG3 ARG 8 2HG ARG 8 10.663 -21.279 -3.388 36 HD2 ARG 8 1HD ARG 8 11.662 -22.303 -5.539 37 HD3 ARG 8 2HD ARG 8 11.281 -20.744 -6.270 38 HE ARG 8 HE ARG 8 13.050 -19.835 -5.146 39 HH11 ARG 8 2HH1 ARG 8 12.210 -22.869 -3.660 40 HH12 ARG 8 1HH1 ARG 8 13.575 -22.874 -2.594 41 HH21 ARG 8 2HH2 ARG 8 14.852 -19.830 -3.748 42 HH22 ARG 8 1HH2 ARG 8 15.077 -21.145 -2.644 43 H VAL 9 H VAL 9 7.848 -19.121 -3.827 44 HA VAL 9 HA VAL 9 6.112 -18.440 -6.058 45 HB VAL 9 HB VAL 9 7.357 -16.665 -3.953 46 HG11 VAL 9 1HG1 VAL 9 4.975 -15.843 -5.515 47 HG12 VAL 9 2HG1 VAL 9 6.287 -14.869 -4.848 48 HG13 VAL 9 3HG1 VAL 9 6.538 -15.792 -6.330 49 HG21 VAL 9 1HG2 VAL 9 4.991 -18.369 -3.981 50 HG22 VAL 9 2HG2 VAL 9 5.829 -17.615 -2.624 51 HG23 VAL 9 3HG2 VAL 9 4.641 -16.696 -3.547 52 H GLU 10 H GLU 10 6.706 -17.340 -7.865 53 HA GLU 10 HA GLU 10 9.471 -17.382 -8.595 54 HB2 GLU 10 1HB GLU 10 7.028 -16.296 -10.001 55 HB3 GLU 10 2HB GLU 10 8.637 -16.309 -10.710 56 HG2 GLU 10 1HG GLU 10 7.006 -18.701 -9.894 57 HG3 GLU 10 2HG GLU 10 7.378 -18.177 -11.536 58 H THR 11 H THR 11 10.922 -15.882 -8.130 59 HA THR 11 HA THR 11 9.996 -13.135 -7.602 60 HB THR 11 HB THR 11 11.068 -14.264 -5.671 61 HG1 THR 11 1HG THR 11 12.469 -12.514 -5.227 62 HG21 THR 11 1HG2 THR 11 12.696 -15.518 -7.276 63 HG22 THR 11 2HG2 THR 11 13.257 -15.029 -5.677 64 HG23 THR 11 3HG2 THR 11 13.694 -14.076 -7.094 65 H GLN 12 H GLN 12 10.839 -11.463 -8.727 66 HA GLN 12 HA GLN 12 12.975 -12.076 -10.662 67 HB2 GLN 12 1HB GLN 12 10.414 -10.563 -10.994 68 HB3 GLN 12 2HB GLN 12 11.807 -10.128 -11.974 69 HG2 GLN 12 1HG GLN 12 10.622 -12.889 -11.829 70 HG3 GLN 12 2HG GLN 12 10.251 -11.701 -13.078 71 HE21 GLN 12 1HE2 GLN 12 11.428 -11.765 -14.852 72 HE22 GLN 12 2HE2 GLN 12 12.971 -12.525 -15.021 73 HA PRO 13 HA PRO 13 15.264 -8.785 -8.853 74 HB2 PRO 13 1HB PRO 13 16.869 -8.155 -10.950 75 HB3 PRO 13 2HB PRO 13 17.079 -9.622 -9.986 76 HG2 PRO 13 1HG PRO 13 15.745 -9.278 -12.643 77 HG3 PRO 13 2HG PRO 13 16.846 -10.558 -12.102 78 HD2 PRO 13 1HD PRO 13 14.160 -10.888 -12.193 79 HD3 PRO 13 2HD PRO 13 15.180 -11.690 -10.981 80 H GLU 14 H GLU 14 16.113 -6.500 -9.594 81 HA GLU 14 HA GLU 14 14.119 -5.125 -11.237 82 HB2 GLU 14 1HB GLU 14 13.695 -3.439 -9.582 83 HB3 GLU 14 2HB GLU 14 13.392 -5.009 -8.853 84 HG2 GLU 14 1HG GLU 14 15.860 -4.792 -8.042 85 HG3 GLU 14 2HG GLU 14 15.596 -3.074 -8.335 86 H VAL 15 H VAL 15 15.035 -3.724 -12.588 87 HA VAL 15 HA VAL 15 17.663 -2.595 -11.893 88 HB VAL 15 HB VAL 15 17.907 -4.471 -13.523 89 HG11 VAL 15 1HG1 VAL 15 16.774 -2.770 -15.675 90 HG12 VAL 15 2HG1 VAL 15 16.884 -4.527 -15.557 91 HG13 VAL 15 3HG1 VAL 15 15.645 -3.658 -14.651 92 HG21 VAL 15 1HG2 VAL 15 18.656 -2.111 -15.114 93 HG22 VAL 15 2HG2 VAL 15 19.198 -2.096 -13.436 94 HG23 VAL 15 3HG2 VAL 15 19.653 -3.429 -14.497 95 H GLN 16 H GLN 16 17.814 -0.458 -12.155 96 HA GLN 16 HA GLN 16 17.209 1.697 -12.573 97 HB2 GLN 16 1HB GLN 16 16.456 0.325 -15.141 98 HB3 GLN 16 2HB GLN 16 16.227 2.055 -14.928 99 HG2 GLN 16 1HG GLN 16 18.668 2.201 -14.355 100 HG3 GLN 16 2HG GLN 16 18.809 0.521 -14.870 101 HE21 GLN 16 1HE2 GLN 16 18.505 3.793 -15.855 102 HE22 GLN 16 2HE2 GLN 16 18.625 3.525 -17.558 103 H LEU 17 H LEU 17 15.469 0.592 -10.883 104 HA LEU 17 HA LEU 17 12.791 1.265 -11.891 105 HB2 LEU 17 1HB LEU 17 13.809 -0.583 -9.801 106 HB3 LEU 17 2HB LEU 17 12.232 0.161 -9.544 107 HG LEU 17 HG LEU 17 12.081 -2.089 -10.532 108 HD11 LEU 17 1HD1 LEU 17 11.160 0.213 -12.241 109 HD12 LEU 17 2HD1 LEU 17 10.270 -0.592 -10.950 110 HD13 LEU 17 3HD1 LEU 17 10.617 -1.452 -12.450 111 HD21 LEU 17 1HD2 LEU 17 13.449 -0.843 -12.914 112 HD22 LEU 17 2HD2 LEU 17 12.797 -2.479 -12.816 113 HD23 LEU 17 3HD2 LEU 17 14.176 -2.017 -11.817 114 HA PRO 18 HA PRO 18 12.432 4.827 -9.356 115 HB2 PRO 18 1HB PRO 18 9.871 4.666 -8.468 116 HB3 PRO 18 2HB PRO 18 10.285 5.058 -10.141 117 HG2 PRO 18 1HG PRO 18 9.433 2.440 -8.964 118 HG3 PRO 18 2HG PRO 18 8.927 3.201 -10.483 119 HD2 PRO 18 1HD PRO 18 10.774 1.224 -10.389 120 HD3 PRO 18 2HD PRO 18 10.822 2.519 -11.603 121 H GLY 19 H GLY 19 11.902 5.620 -7.144 122 HA2 GLY 19 1HA GLY 19 12.792 3.650 -5.182 123 HA3 GLY 19 2HA GLY 19 12.728 5.391 -4.953 124 HA PRO 20 HA PRO 20 9.068 3.173 -2.925 125 HB2 PRO 20 1HB PRO 20 9.778 3.619 -0.343 126 HB3 PRO 20 2HB PRO 20 10.271 2.178 -1.239 127 HG2 PRO 20 1HG PRO 20 11.814 4.682 -0.683 128 HG3 PRO 20 2HG PRO 20 12.355 2.995 -0.608 129 HD2 PRO 20 1HD PRO 20 12.902 4.608 -2.713 130 HD3 PRO 20 2HD PRO 20 12.656 2.858 -2.889 131 H ALA 21 H ALA 21 7.280 4.301 -2.346 132 HA ALA 21 HA ALA 21 7.289 7.127 -2.551 133 HB1 ALA 21 1HB ALA 21 5.241 6.444 -3.177 134 HB2 ALA 21 2HB ALA 21 5.285 5.019 -2.138 135 HB3 ALA 21 3HB ALA 21 4.869 6.592 -1.459 136 HA PRO 22 HA PRO 22 8.516 7.815 1.710 137 HB2 PRO 22 1HB PRO 22 8.764 10.506 1.452 138 HB3 PRO 22 2HB PRO 22 9.997 9.370 0.893 139 HG2 PRO 22 1HG PRO 22 7.864 10.772 -0.672 140 HG3 PRO 22 2HG PRO 22 9.568 10.510 -1.088 141 HD2 PRO 22 1HD PRO 22 7.570 8.988 -2.101 142 HD3 PRO 22 2HD PRO 22 9.195 8.345 -1.787 143 H ASN 23 H ASN 23 7.794 9.695 3.295 144 HA ASN 23 HA ASN 23 6.010 10.135 4.698 145 HB2 ASN 23 1HB ASN 23 5.729 11.690 2.175 146 HB3 ASN 23 2HB ASN 23 4.390 11.754 3.318 147 HD21 ASN 23 1HD2 ASN 23 7.802 11.418 4.088 148 HD22 ASN 23 2HD2 ASN 23 7.953 12.930 4.911 149 H LEU 24 H LEU 24 5.561 7.630 3.973 150 HA LEU 24 HA LEU 24 2.979 7.343 2.697 151 HB2 LEU 24 1HB LEU 24 4.733 5.688 2.318 152 HB3 LEU 24 2HB LEU 24 4.761 5.314 4.040 153 HG LEU 24 HG LEU 24 2.429 4.483 3.846 154 HD11 LEU 24 1HD1 LEU 24 1.612 5.673 1.962 155 HD12 LEU 24 2HD1 LEU 24 1.641 3.966 1.519 156 HD13 LEU 24 3HD1 LEU 24 2.899 5.052 0.928 157 HD21 LEU 24 1HD2 LEU 24 4.376 3.152 1.966 158 HD22 LEU 24 2HD2 LEU 24 3.009 2.392 2.782 159 HD23 LEU 24 3HD2 LEU 24 4.382 2.979 3.721 160 H ARG 25 H ARG 25 1.285 8.009 3.870 161 HA ARG 25 HA ARG 25 1.105 7.095 6.666 162 HB2 ARG 25 1HB ARG 25 -0.562 9.365 5.690 163 HB3 ARG 25 2HB ARG 25 0.097 9.065 7.293 164 HG2 ARG 25 1HG ARG 25 1.856 9.788 4.975 165 HG3 ARG 25 2HG ARG 25 1.055 11.013 5.962 166 HD2 ARG 25 1HD ARG 25 2.782 8.845 7.132 167 HD3 ARG 25 2HD ARG 25 3.426 10.404 6.618 168 HE ARG 25 HE ARG 25 1.833 9.865 8.962 169 HH11 ARG 25 2HH1 ARG 25 2.957 12.279 6.720 170 HH12 ARG 25 1HH1 ARG 25 2.729 13.596 7.823 171 HH21 ARG 25 2HH2 ARG 25 1.528 11.590 10.422 172 HH22 ARG 25 1HH2 ARG 25 1.917 13.203 9.928 173 H ALA 26 H ALA 26 -1.061 6.599 7.447 174 HA ALA 26 HA ALA 26 -3.172 6.169 5.536 175 HB1 ALA 26 1HB ALA 26 -1.314 4.130 5.779 176 HB2 ALA 26 2HB ALA 26 -2.656 3.615 6.802 177 HB3 ALA 26 3HB ALA 26 -2.939 3.998 5.104 178 H TYR 27 H TYR 27 -5.051 6.456 6.543 179 HA TYR 27 HA TYR 27 -5.317 5.689 9.355 180 HB2 TYR 27 1HB TYR 27 -6.515 7.877 9.779 181 HB3 TYR 27 2HB TYR 27 -4.773 8.000 9.556 182 HD1 TYR 27 2HD TYR 27 -3.871 8.858 7.393 183 HD2 TYR 27 1HD TYR 27 -8.026 8.963 8.301 184 HE1 TYR 27 2HE TYR 27 -4.212 10.519 5.612 185 HE2 TYR 27 1HE TYR 27 -8.379 10.624 6.522 186 HH TYR 27 HH TYR 27 -5.823 11.505 4.299 187 H ALA 28 H ALA 28 -7.449 5.280 10.028 188 HA ALA 28 HA ALA 28 -9.215 4.487 7.874 189 HB1 ALA 28 1HB ALA 28 -10.295 4.150 10.541 190 HB2 ALA 28 2HB ALA 28 -9.945 2.943 9.303 191 HB3 ALA 28 3HB ALA 28 -8.669 3.481 10.396 192 H ALA 29 H ALA 29 -10.451 6.019 6.993 193 HA ALA 29 HA ALA 29 -11.327 8.332 8.439 194 HB1 ALA 29 1HB ALA 29 -12.353 9.026 6.399 195 HB2 ALA 29 2HB ALA 29 -10.792 8.308 5.998 196 HB3 ALA 29 3HB ALA 29 -12.277 7.392 5.740 197 H SER 30 H SER 30 -12.618 5.192 7.783 198 HA SER 30 HA SER 30 -14.907 5.753 9.461 199 HB2 SER 30 1HB SER 30 -15.139 5.288 6.519 200 HB3 SER 30 2HB SER 30 -16.361 4.582 7.577 201 HG SER 30 HG SER 30 -15.898 7.221 6.917 202 HA PRO 31 HA PRO 31 -14.433 1.556 10.644 203 HB2 PRO 31 1HB PRO 31 -16.993 0.796 11.135 204 HB3 PRO 31 2HB PRO 31 -16.101 1.903 12.186 205 HG2 PRO 31 1HG PRO 31 -18.117 2.521 10.061 206 HG3 PRO 31 2HG PRO 31 -17.946 3.224 11.680 207 HD2 PRO 31 1HD PRO 31 -17.054 4.472 9.449 208 HD3 PRO 31 2HD PRO 31 -16.252 4.641 11.024 209 H THR 32 H THR 32 -15.748 2.370 7.726 210 HA THR 32 HA THR 32 -15.883 -0.451 6.898 211 HB THR 32 HB THR 32 -17.693 0.051 5.343 212 HG1 THR 32 1HG THR 32 -17.084 2.376 5.227 213 HG21 THR 32 1HG2 THR 32 -19.162 1.129 7.507 214 HG22 THR 32 2HG2 THR 32 -17.918 0.083 8.192 215 HG23 THR 32 3HG2 THR 32 -19.050 -0.556 7.001 216 H SER 33 H SER 33 -14.251 2.346 6.624 217 HA SER 33 HA SER 33 -13.182 1.599 4.015 218 HB2 SER 33 1HB SER 33 -13.561 3.609 2.951 219 HB3 SER 33 2HB SER 33 -15.012 3.516 3.949 220 HG SER 33 HG SER 33 -13.504 4.686 5.537 221 H ILE 34 H ILE 34 -11.205 3.052 3.521 222 HA ILE 34 HA ILE 34 -9.819 4.010 5.882 223 HB ILE 34 HB ILE 34 -8.800 1.652 4.298 224 HG12 ILE 34 1HG1 ILE 34 -9.317 1.977 7.261 225 HG13 ILE 34 2HG1 ILE 34 -10.410 1.175 6.138 226 HG21 ILE 34 1HG2 ILE 34 -6.835 2.776 4.575 227 HG22 ILE 34 2HG2 ILE 34 -7.397 3.629 6.011 228 HG23 ILE 34 3HG2 ILE 34 -6.910 1.939 6.126 229 HD11 ILE 34 1HD1 ILE 34 -7.755 0.085 5.940 230 HD12 ILE 34 2HD1 ILE 34 -8.351 0.020 7.598 231 HD13 ILE 34 3HD1 ILE 34 -9.282 -0.721 6.297 232 H THR 35 H THR 35 -8.642 5.738 5.376 233 HA THR 35 HA THR 35 -8.149 6.309 2.546 234 HB THR 35 HB THR 35 -8.052 8.111 4.971 235 HG1 THR 35 1HG THR 35 -9.942 8.936 4.131 236 HG21 THR 35 1HG2 THR 35 -7.510 9.923 3.566 237 HG22 THR 35 2HG2 THR 35 -7.815 8.986 2.103 238 HG23 THR 35 3HG2 THR 35 -6.401 8.636 3.095 239 H VAL 36 H VAL 36 -6.158 6.404 1.686 240 HA VAL 36 HA VAL 36 -3.849 6.285 3.513 241 HB VAL 36 HB VAL 36 -3.956 4.839 0.870 242 HG11 VAL 36 1HG1 VAL 36 -2.085 3.547 2.084 243 HG12 VAL 36 2HG1 VAL 36 -1.725 5.157 1.457 244 HG13 VAL 36 3HG1 VAL 36 -2.044 4.931 3.177 245 HG21 VAL 36 1HG2 VAL 36 -4.005 3.148 3.230 246 HG22 VAL 36 2HG2 VAL 36 -5.449 4.152 3.094 247 HG23 VAL 36 3HG2 VAL 36 -4.993 3.079 1.771 248 H THR 37 H THR 37 -2.341 7.777 3.152 249 HA THR 37 HA THR 37 -2.290 9.114 0.525 250 HB THR 37 HB THR 37 -1.764 11.221 1.591 251 HG1 THR 37 1HG THR 37 -0.734 10.105 3.473 252 HG21 THR 37 1HG2 THR 37 -4.081 10.228 3.201 253 HG22 THR 37 2HG2 THR 37 -4.195 10.276 1.442 254 HG23 THR 37 3HG2 THR 37 -3.884 11.757 2.346 255 H TRP 38 H TRP 38 -0.364 9.231 -0.453 256 HA TRP 38 HA TRP 38 2.063 8.808 1.147 257 HB2 TRP 38 1HB TRP 38 2.957 7.338 -0.651 258 HB3 TRP 38 2HB TRP 38 1.555 6.653 0.169 259 HD1 TRP 38 HD TRP 38 2.691 7.991 -3.212 260 HE1 TRP 38 1HE TRP 38 0.914 7.406 -4.979 261 HE3 TRP 38 3HE TRP 38 -0.979 6.230 -0.119 262 HZ2 TRP 38 2HZ TRP 38 -1.699 6.339 -5.052 263 HZ3 TRP 38 3HZ TRP 38 -3.087 5.447 -1.117 264 HH2 TRP 38 HH TRP 38 -3.438 5.502 -3.533 265 H GLU 39 H GLU 39 4.069 9.316 -0.184 266 HA GLU 39 HA GLU 39 3.520 11.668 -1.872 267 HB2 GLU 39 1HB GLU 39 5.583 11.133 0.217 268 HB3 GLU 39 2HB GLU 39 6.009 12.179 -1.129 269 HG2 GLU 39 1HG GLU 39 3.505 12.674 0.417 270 HG3 GLU 39 2HG GLU 39 5.062 13.204 1.050 271 H THR 40 H THR 40 5.268 12.163 -3.462 272 HA THR 40 HA THR 40 5.910 9.747 -4.932 273 HB THR 40 HB THR 40 6.257 12.667 -5.628 274 HG1 THR 40 1HG THR 40 4.607 10.882 -7.029 275 HG21 THR 40 1HG2 THR 40 6.975 12.020 -7.799 276 HG22 THR 40 2HG2 THR 40 6.638 10.319 -7.478 277 HG23 THR 40 3HG2 THR 40 7.976 11.123 -6.658 278 HA PRO 41 HA PRO 41 10.073 9.507 -3.462 279 HB2 PRO 41 1HB PRO 41 11.025 7.810 -5.355 280 HB3 PRO 41 2HB PRO 41 9.974 7.284 -4.034 281 HG2 PRO 41 1HG PRO 41 9.274 7.911 -6.876 282 HG3 PRO 41 2HG PRO 41 8.721 6.569 -5.858 283 HD2 PRO 41 1HD PRO 41 7.215 8.773 -6.307 284 HD3 PRO 41 2HD PRO 41 7.150 7.867 -4.782 285 H VAL 42 H VAL 42 11.270 11.303 -3.724 286 HA VAL 42 HA VAL 42 11.594 12.888 -5.926 287 HB VAL 42 HB VAL 42 13.699 13.682 -4.964 288 HG11 VAL 42 1HG1 VAL 42 11.706 14.558 -3.985 289 HG12 VAL 42 2HG1 VAL 42 11.501 13.121 -2.981 290 HG13 VAL 42 3HG1 VAL 42 12.842 14.227 -2.678 291 HG21 VAL 42 1HG2 VAL 42 14.437 12.571 -2.790 292 HG22 VAL 42 2HG2 VAL 42 13.470 11.189 -3.303 293 HG23 VAL 42 3HG2 VAL 42 14.824 11.732 -4.292 294 H SER 43 H SER 43 13.584 10.087 -5.028 295 HA SER 43 HA SER 43 15.260 10.306 -7.342 296 HB2 SER 43 1HB SER 43 15.702 9.162 -4.999 297 HB3 SER 43 2HB SER 43 15.019 7.751 -5.805 298 HG SER 43 HG SER 43 16.817 8.979 -7.396 299 H GLY 44 H GLY 44 15.532 8.242 -8.741 300 HA2 GLY 44 1HA GLY 44 14.017 6.292 -9.476 301 HA3 GLY 44 2HA GLY 44 12.854 7.577 -9.767 302 H ASN 45 H ASN 45 13.804 5.764 -11.730 303 HA ASN 45 HA ASN 45 15.606 7.378 -13.380 304 HB2 ASN 45 1HB ASN 45 15.786 4.787 -12.953 305 HB3 ASN 45 2HB ASN 45 14.570 4.698 -14.223 306 HD21 ASN 45 1HD2 ASN 45 15.410 4.313 -16.127 307 HD22 ASN 45 2HD2 ASN 45 16.931 4.888 -16.711 308 H GLY 46 H GLY 46 14.061 9.018 -13.879 309 HA2 GLY 46 1HA GLY 46 12.901 9.814 -15.813 310 HA3 GLY 46 2HA GLY 46 12.250 8.198 -16.046 311 H GLU 47 H GLU 47 10.117 8.878 -16.159 312 HA GLU 47 HA GLU 47 9.016 10.132 -13.740 313 HB2 GLU 47 1HB GLU 47 7.178 10.884 -15.056 314 HB3 GLU 47 2HB GLU 47 8.638 11.239 -15.969 315 HG2 GLU 47 1HG GLU 47 8.252 9.155 -17.272 316 HG3 GLU 47 2HG GLU 47 6.709 8.982 -16.438 317 H ILE 48 H ILE 48 6.698 9.424 -13.262 318 HA ILE 48 HA ILE 48 6.671 6.495 -13.191 319 HB ILE 48 HB ILE 48 4.937 8.402 -11.622 320 HG12 ILE 48 1HG1 ILE 48 7.335 8.716 -11.105 321 HG13 ILE 48 2HG1 ILE 48 6.450 8.029 -9.747 322 HG21 ILE 48 1HG2 ILE 48 3.833 6.571 -11.028 323 HG22 ILE 48 2HG2 ILE 48 4.929 5.564 -11.974 324 HG23 ILE 48 3HG2 ILE 48 5.313 5.950 -10.297 325 HD11 ILE 48 1HD1 ILE 48 7.408 5.921 -10.048 326 HD12 ILE 48 2HD1 ILE 48 7.967 6.311 -11.675 327 HD13 ILE 48 3HD1 ILE 48 8.735 7.059 -10.275 328 H GLN 49 H GLN 49 4.953 5.280 -13.910 329 HA GLN 49 HA GLN 49 3.239 6.581 -15.863 330 HB2 GLN 49 1HB GLN 49 3.709 3.677 -15.182 331 HB3 GLN 49 2HB GLN 49 2.565 4.216 -16.404 332 HG2 GLN 49 1HG GLN 49 5.503 4.856 -16.456 333 HG3 GLN 49 2HG GLN 49 4.772 3.485 -17.290 334 HE21 GLN 49 1HE2 GLN 49 5.829 4.650 -19.119 335 HE22 GLN 49 2HE2 GLN 49 4.897 5.850 -19.940 336 H ASN 50 H ASN 50 2.773 4.293 -13.164 337 HA ASN 50 HA ASN 50 0.330 5.685 -12.422 338 HB2 ASN 50 1HB ASN 50 -1.157 3.960 -12.767 339 HB3 ASN 50 2HB ASN 50 -0.067 3.701 -14.126 340 HD21 ASN 50 1HD2 ASN 50 -1.399 2.401 -11.292 341 HD22 ASN 50 2HD2 ASN 50 -0.515 0.916 -11.272 342 H TYR 51 H TYR 51 -0.596 4.753 -10.369 343 HA TYR 51 HA TYR 51 1.601 3.814 -8.644 344 HB2 TYR 51 1HB TYR 51 -0.671 5.714 -8.127 345 HB3 TYR 51 2HB TYR 51 0.136 4.889 -6.798 346 HD1 TYR 51 1HD TYR 51 2.702 5.156 -6.652 347 HD2 TYR 51 2HD TYR 51 0.202 7.704 -8.967 348 HE1 TYR 51 1HE TYR 51 4.461 6.875 -6.647 349 HE2 TYR 51 2HE TYR 51 1.954 9.430 -8.969 350 HH TYR 51 HH TYR 51 4.963 8.998 -8.460 351 H LYS 52 H LYS 52 1.370 1.893 -7.719 352 HA LYS 52 HA LYS 52 -1.251 0.587 -7.831 353 HB2 LYS 52 1HB LYS 52 0.931 -0.440 -8.777 354 HB3 LYS 52 2HB LYS 52 1.326 -0.774 -7.096 355 HG2 LYS 52 1HG LYS 52 0.347 -2.737 -7.960 356 HG3 LYS 52 2HG LYS 52 -0.876 -1.983 -6.935 357 HD2 LYS 52 1HD LYS 52 -2.049 -2.612 -8.857 358 HD3 LYS 52 2HD LYS 52 -1.732 -0.891 -9.092 359 HE2 LYS 52 1HE LYS 52 -1.256 -1.987 -11.150 360 HE3 LYS 52 2HE LYS 52 0.288 -1.540 -10.425 361 HZ1 LYS 52 1HZ LYS 52 -0.602 -4.159 -9.660 362 HZ2 LYS 52 2HZ LYS 52 0.896 -3.663 -10.267 363 HZ3 LYS 52 3HZ LYS 52 -0.374 -4.009 -11.329 364 H LEU 53 H LEU 53 -2.385 0.108 -6.049 365 HA LEU 53 HA LEU 53 -1.051 0.377 -3.438 366 HB2 LEU 53 1HB LEU 53 -2.342 2.337 -3.652 367 HB3 LEU 53 2HB LEU 53 -3.706 1.455 -4.336 368 HG LEU 53 HG LEU 53 -4.037 0.381 -2.106 369 HD11 LEU 53 1HD1 LEU 53 -2.064 0.494 -0.941 370 HD12 LEU 53 2HD1 LEU 53 -2.951 1.840 -0.227 371 HD13 LEU 53 3HD1 LEU 53 -1.724 2.146 -1.456 372 HD21 LEU 53 1HD2 LEU 53 -5.053 2.641 -3.019 373 HD22 LEU 53 2HD2 LEU 53 -4.155 3.319 -1.661 374 HD23 LEU 53 3HD2 LEU 53 -5.379 2.080 -1.379 375 H TYR 54 H TYR 54 -1.074 -1.497 -2.405 376 HA TYR 54 HA TYR 54 -3.176 -3.445 -3.010 377 HB2 TYR 54 1HB TYR 54 -0.530 -3.773 -1.580 378 HB3 TYR 54 2HB TYR 54 -1.682 -5.071 -1.872 379 HD1 TYR 54 2HD TYR 54 0.009 -2.386 -3.860 380 HD2 TYR 54 1HD TYR 54 -1.184 -6.464 -3.632 381 HE1 TYR 54 2HE TYR 54 1.047 -2.806 -6.050 382 HE2 TYR 54 1HE TYR 54 -0.148 -6.896 -5.821 383 HH TYR 54 HH TYR 54 1.560 -4.328 -7.583 384 H TYR 55 H TYR 55 -4.152 -4.660 -1.262 385 HA TYR 55 HA TYR 55 -3.983 -3.600 1.420 386 HB2 TYR 55 1HB TYR 55 -6.339 -2.985 1.590 387 HB3 TYR 55 2HB TYR 55 -5.547 -2.029 0.342 388 HD1 TYR 55 1HD TYR 55 -5.748 -2.992 -2.097 389 HD2 TYR 55 2HD TYR 55 -8.361 -4.001 1.105 390 HE1 TYR 55 1HE TYR 55 -7.459 -3.686 -3.721 391 HE2 TYR 55 2HE TYR 55 -10.080 -4.698 -0.510 392 HH TYR 55 HH TYR 55 -9.410 -5.013 -3.887 393 H MET 56 H MET 56 -4.544 -5.086 2.928 394 HA MET 56 HA MET 56 -6.240 -7.330 2.271 395 HB2 MET 56 1HB MET 56 -4.703 -9.033 2.305 396 HB3 MET 56 2HB MET 56 -3.736 -7.770 1.555 397 HG2 MET 56 1HG MET 56 -2.994 -7.236 3.972 398 HG3 MET 56 2HG MET 56 -3.601 -8.850 4.335 399 HE1 MET 56 1HE MET 56 -0.351 -9.875 4.715 400 HE2 MET 56 2HE MET 56 -2.079 -10.056 5.016 401 HE3 MET 56 3HE MET 56 -1.273 -11.103 3.848 402 H GLU 57 H GLU 57 -6.626 -8.731 4.162 403 HA GLU 57 HA GLU 57 -6.737 -7.119 6.571 404 HB2 GLU 57 1HB GLU 57 -8.751 -8.289 5.949 405 HB3 GLU 57 2HB GLU 57 -7.894 -9.822 5.880 406 HG2 GLU 57 1HG GLU 57 -7.377 -9.219 8.406 407 HG3 GLU 57 2HG GLU 57 -8.864 -8.289 8.222 408 H LYS 58 H LYS 58 -5.474 -7.350 8.303 409 HA LYS 58 HA LYS 58 -3.110 -8.793 8.280 410 HB2 LYS 58 1HB LYS 58 -4.034 -6.883 9.868 411 HB3 LYS 58 2HB LYS 58 -4.432 -8.250 10.901 412 HG2 LYS 58 1HG LYS 58 -2.325 -7.528 11.615 413 HG3 LYS 58 2HG LYS 58 -2.011 -8.964 10.638 414 HD2 LYS 58 1HD LYS 58 -1.750 -7.223 8.701 415 HD3 LYS 58 2HD LYS 58 -1.471 -6.090 10.025 416 HE2 LYS 58 1HE LYS 58 0.177 -7.996 10.827 417 HE3 LYS 58 2HE LYS 58 0.168 -8.399 9.111 418 HZ1 LYS 58 1HZ LYS 58 1.847 -6.900 9.131 419 HZ2 LYS 58 2HZ LYS 58 1.246 -6.047 10.462 420 HZ3 LYS 58 3HZ LYS 58 0.568 -5.811 8.930 421 H GLY 59 H GLY 59 -3.406 -10.937 7.690 422 HA2 GLY 59 1HA GLY 59 -3.244 -13.066 8.985 423 HA3 GLY 59 2HA GLY 59 -4.784 -12.611 9.700 424 H THR 60 H THR 60 -3.804 -12.334 6.313 425 HA THR 60 HA THR 60 -5.826 -14.367 5.636 426 HB THR 60 HB THR 60 -5.324 -12.112 3.746 427 HG1 THR 60 1HG THR 60 -5.987 -10.748 5.227 428 HG21 THR 60 1HG2 THR 60 -6.983 -13.148 2.682 429 HG22 THR 60 2HG2 THR 60 -8.054 -12.787 4.036 430 HG23 THR 60 3HG2 THR 60 -7.145 -14.298 4.009 431 H ASP 61 H ASP 61 -2.809 -12.777 4.793 432 HA ASP 61 HA ASP 61 -0.973 -13.547 3.679 433 HB2 ASP 61 1HB ASP 61 -1.746 -15.768 4.787 434 HB3 ASP 61 2HB ASP 61 -2.332 -16.180 3.177 435 H LYS 62 H LYS 62 -3.401 -12.381 2.402 436 HA LYS 62 HA LYS 62 -2.575 -12.832 -0.337 437 HB2 LYS 62 1HB LYS 62 -4.233 -14.549 -0.194 438 HB3 LYS 62 2HB LYS 62 -5.359 -13.479 0.630 439 HG2 LYS 62 1HG LYS 62 -6.240 -13.433 -1.465 440 HG3 LYS 62 2HG LYS 62 -5.119 -12.075 -1.586 441 HD2 LYS 62 1HD LYS 62 -4.566 -13.208 -3.494 442 HD3 LYS 62 2HD LYS 62 -3.452 -13.974 -2.358 443 HE2 LYS 62 1HE LYS 62 -6.175 -15.133 -2.730 444 HE3 LYS 62 2HE LYS 62 -4.949 -15.415 -3.966 445 HZ1 LYS 62 1HZ LYS 62 -5.234 -16.636 -1.424 446 HZ2 LYS 62 2HZ LYS 62 -3.714 -15.904 -1.549 447 HZ3 LYS 62 3HZ LYS 62 -4.198 -17.050 -2.696 448 H GLU 63 H GLU 63 -2.294 -10.854 -1.109 449 HA GLU 63 HA GLU 63 -4.100 -8.714 -0.200 450 HB2 GLU 63 1HB GLU 63 -2.356 -7.151 -0.523 451 HB3 GLU 63 2HB GLU 63 -1.614 -8.524 0.286 452 HG2 GLU 63 1HG GLU 63 -1.550 -8.295 -2.693 453 HG3 GLU 63 2HG GLU 63 -0.392 -7.420 -1.692 454 H GLN 64 H GLN 64 -4.653 -7.050 -1.774 455 HA GLN 64 HA GLN 64 -4.840 -8.156 -4.498 456 HB2 GLN 64 1HB GLN 64 -6.765 -6.578 -2.834 457 HB3 GLN 64 2HB GLN 64 -6.837 -6.458 -4.587 458 HG2 GLN 64 1HG GLN 64 -6.785 -9.165 -3.373 459 HG3 GLN 64 2HG GLN 64 -8.267 -8.219 -3.247 460 HE21 GLN 64 1HE2 GLN 64 -9.491 -7.852 -5.048 461 HE22 GLN 64 2HE2 GLN 64 -9.191 -8.609 -6.571 462 H ASP 65 H ASP 65 -5.506 -6.130 -6.021 463 HA ASP 65 HA ASP 65 -3.683 -3.903 -5.464 464 HB2 ASP 65 1HB ASP 65 -2.454 -4.123 -7.410 465 HB3 ASP 65 2HB ASP 65 -2.710 -5.812 -6.984 466 H VAL 66 H VAL 66 -4.540 -1.982 -5.942 467 HA VAL 66 HA VAL 66 -6.896 -1.915 -7.714 468 HB VAL 66 HB VAL 66 -7.634 0.077 -6.340 469 HG11 VAL 66 1HG1 VAL 66 -9.062 -1.451 -5.593 470 HG12 VAL 66 2HG1 VAL 66 -7.866 -2.729 -5.814 471 HG13 VAL 66 3HG1 VAL 66 -7.929 -1.831 -4.297 472 HG21 VAL 66 1HG2 VAL 66 -6.047 -0.955 -4.062 473 HG22 VAL 66 2HG2 VAL 66 -5.199 0.038 -5.248 474 HG23 VAL 66 3HG2 VAL 66 -6.608 0.682 -4.404 475 H ASP 67 H ASP 67 -6.703 -0.656 -9.440 476 HA ASP 67 HA ASP 67 -4.353 0.901 -9.883 477 HB2 ASP 67 1HB ASP 67 -5.122 1.188 -12.066 478 HB3 ASP 67 2HB ASP 67 -5.840 -0.353 -11.605 479 H VAL 68 H VAL 68 -3.995 2.879 -9.150 480 HA VAL 68 HA VAL 68 -6.295 4.691 -8.797 481 HB VAL 68 HB VAL 68 -3.812 4.536 -7.082 482 HG11 VAL 68 1HG1 VAL 68 -6.180 6.399 -6.949 483 HG12 VAL 68 2HG1 VAL 68 -4.923 6.268 -5.716 484 HG13 VAL 68 3HG1 VAL 68 -4.515 6.834 -7.337 485 HG21 VAL 68 1HG2 VAL 68 -5.809 4.185 -5.359 486 HG22 VAL 68 2HG2 VAL 68 -6.581 3.513 -6.795 487 HG23 VAL 68 3HG2 VAL 68 -5.058 2.839 -6.217 488 H SER 69 H SER 69 -5.850 6.958 -9.066 489 HA SER 69 HA SER 69 -3.576 7.448 -10.875 490 HB2 SER 69 1HB SER 69 -4.940 9.223 -11.898 491 HB3 SER 69 2HB SER 69 -5.761 7.665 -11.982 492 HG SER 69 HG SER 69 -6.881 8.359 -10.021 493 H SER 70 H SER 70 -5.464 8.714 -8.189 494 HA SER 70 HA SER 70 -3.717 11.019 -7.904 495 HB2 SER 70 1HB SER 70 -6.216 10.093 -6.505 496 HB3 SER 70 2HB SER 70 -5.229 11.391 -5.834 497 HG SER 70 HG SER 70 -6.995 12.021 -7.295 498 H HIS 71 H HIS 71 -2.728 11.508 -5.796 499 HA HIS 71 HA HIS 71 -1.108 9.355 -4.911 500 HB2 HIS 71 1HB HIS 71 -1.506 12.171 -3.910 501 HB3 HIS 71 2HB HIS 71 -0.396 11.047 -3.131 502 HD1 HIS 71 1HD HIS 71 -0.858 13.038 -6.271 503 HD2 HIS 71 2HD HIS 71 1.984 10.577 -4.502 504 HE1 HIS 71 1HE HIS 71 1.232 13.333 -7.639 505 HE2 HIS 71 2HE HIS 71 2.912 11.770 -6.602 506 H SER 72 H SER 72 -4.031 10.849 -3.691 507 HA SER 72 HA SER 72 -3.998 8.985 -1.410 508 HB2 SER 72 1HB SER 72 -5.522 10.527 -0.278 509 HB3 SER 72 2HB SER 72 -4.062 11.377 -0.782 510 HG SER 72 HG SER 72 -5.504 12.700 -1.596 511 H TYR 73 H TYR 73 -5.444 7.397 -1.379 512 HA TYR 73 HA TYR 73 -7.832 7.637 -3.089 513 HB2 TYR 73 1HB TYR 73 -6.195 6.092 -4.091 514 HB3 TYR 73 2HB TYR 73 -6.190 5.140 -2.611 515 HD1 TYR 73 2HD TYR 73 -8.360 6.262 -5.406 516 HD2 TYR 73 1HD TYR 73 -7.789 3.453 -2.262 517 HE1 TYR 73 2HE TYR 73 -10.238 4.928 -6.265 518 HE2 TYR 73 1HE TYR 73 -9.665 2.110 -3.114 519 HH TYR 73 HH TYR 73 -11.676 2.419 -4.489 520 H THR 74 H THR 74 -9.620 6.189 -2.431 521 HA THR 74 HA THR 74 -9.635 5.714 0.478 522 HB THR 74 HB THR 74 -11.948 6.772 -1.160 523 HG1 THR 74 1HG THR 74 -10.654 8.144 0.947 524 HG21 THR 74 1HG2 THR 74 -13.239 6.054 0.508 525 HG22 THR 74 2HG2 THR 74 -12.359 7.119 1.605 526 HG23 THR 74 3HG2 THR 74 -11.833 5.451 1.384 527 H ILE 75 H ILE 75 -9.969 3.651 0.950 528 HA ILE 75 HA ILE 75 -11.290 1.935 -1.032 529 HB ILE 75 HB ILE 75 -9.539 1.220 1.322 530 HG12 ILE 75 1HG1 ILE 75 -9.073 0.882 -1.648 531 HG13 ILE 75 2HG1 ILE 75 -8.405 2.191 -0.679 532 HG21 ILE 75 1HG2 ILE 75 -11.544 -0.329 0.158 533 HG22 ILE 75 2HG2 ILE 75 -10.037 -0.923 -0.538 534 HG23 ILE 75 3HG2 ILE 75 -10.245 -0.885 1.212 535 HD11 ILE 75 1HD1 ILE 75 -6.791 0.897 0.168 536 HD12 ILE 75 2HD1 ILE 75 -7.859 -0.494 0.352 537 HD13 ILE 75 3HD1 ILE 75 -7.140 -0.136 -1.217 538 H ASN 76 H ASN 76 -13.399 1.689 -0.704 539 HA ASN 76 HA ASN 76 -14.415 1.616 2.051 540 HB2 ASN 76 1HB ASN 76 -16.675 1.805 0.712 541 HB3 ASN 76 2HB ASN 76 -15.677 3.230 0.982 542 HD21 ASN 76 1HD2 ASN 76 -15.168 4.403 -0.721 543 HD22 ASN 76 2HD2 ASN 76 -15.264 3.892 -2.368 544 H GLY 77 H GLY 77 -16.050 0.043 2.605 545 HA2 GLY 77 1HA GLY 77 -17.237 -1.979 2.232 546 HA3 GLY 77 2HA GLY 77 -16.188 -2.310 0.861 547 H LEU 78 H LEU 78 -15.378 -1.467 4.215 548 HA LEU 78 HA LEU 78 -13.981 -4.054 4.421 549 HB2 LEU 78 1HB LEU 78 -13.159 -1.514 5.807 550 HB3 LEU 78 2HB LEU 78 -12.260 -3.025 5.702 551 HG LEU 78 HG LEU 78 -12.846 -1.237 3.345 552 HD11 LEU 78 1HD1 LEU 78 -11.284 -0.431 5.320 553 HD12 LEU 78 2HD1 LEU 78 -10.863 -0.155 3.630 554 HD13 LEU 78 3HD1 LEU 78 -10.129 -1.493 4.514 555 HD21 LEU 78 1HD2 LEU 78 -11.186 -2.575 2.209 556 HD22 LEU 78 2HD2 LEU 78 -12.459 -3.621 2.838 557 HD23 LEU 78 3HD2 LEU 78 -10.906 -3.524 3.669 558 H LYS 79 H LYS 79 -13.541 -4.631 6.787 559 HA LYS 79 HA LYS 79 -16.076 -4.617 8.162 560 HB2 LYS 79 1HB LYS 79 -13.440 -5.982 8.580 561 HB3 LYS 79 2HB LYS 79 -14.625 -5.956 9.879 562 HG2 LYS 79 1HG LYS 79 -16.243 -6.841 8.030 563 HG3 LYS 79 2HG LYS 79 -14.742 -7.320 7.233 564 HD2 LYS 79 1HD LYS 79 -15.155 -8.010 10.108 565 HD3 LYS 79 2HD LYS 79 -15.970 -8.963 8.867 566 HE2 LYS 79 1HE LYS 79 -13.018 -8.408 8.778 567 HE3 LYS 79 2HE LYS 79 -13.685 -9.777 9.665 568 HZ1 LYS 79 1HZ LYS 79 -14.886 -9.998 7.264 569 HZ2 LYS 79 2HZ LYS 79 -13.492 -10.837 7.725 570 HZ3 LYS 79 3HZ LYS 79 -13.362 -9.410 6.826 571 H LYS 80 H LYS 80 -16.070 -4.269 10.593 572 HA LYS 80 HA LYS 80 -14.889 -1.655 11.113 573 HB2 LYS 80 1HB LYS 80 -16.897 -3.242 12.724 574 HB3 LYS 80 2HB LYS 80 -16.406 -1.584 13.042 575 HG2 LYS 80 1HG LYS 80 -18.310 -1.157 11.902 576 HG3 LYS 80 2HG LYS 80 -17.213 -1.283 10.525 577 HD2 LYS 80 1HD LYS 80 -17.837 -3.667 10.297 578 HD3 LYS 80 2HD LYS 80 -18.998 -3.461 11.610 579 HE2 LYS 80 1HE LYS 80 -20.303 -1.945 10.332 580 HE3 LYS 80 2HE LYS 80 -19.048 -1.799 9.102 581 HZ1 LYS 80 1HZ LYS 80 -19.606 -4.471 9.191 582 HZ2 LYS 80 2HZ LYS 80 -20.145 -3.379 8.018 583 HZ3 LYS 80 3HZ LYS 80 -21.125 -3.743 9.347 584 H TYR 81 H TYR 81 -13.608 -1.188 12.909 585 HA TYR 81 HA TYR 81 -11.772 -1.609 14.214 586 HB2 TYR 81 1HB TYR 81 -13.952 -2.170 15.587 587 HB3 TYR 81 2HB TYR 81 -13.321 -3.811 15.518 588 HD1 TYR 81 2HD TYR 81 -12.214 -0.347 16.375 589 HD2 TYR 81 1HD TYR 81 -11.879 -4.510 17.186 590 HE1 TYR 81 2HE TYR 81 -10.736 0.148 18.278 591 HE2 TYR 81 1HE TYR 81 -10.401 -4.027 19.092 592 HH TYR 81 HH TYR 81 -9.048 -2.369 19.998 593 H THR 82 H THR 82 -11.251 -2.769 11.894 594 HA THR 82 HA THR 82 -10.006 -5.319 12.663 595 HB THR 82 HB THR 82 -11.392 -4.778 10.030 596 HG1 THR 82 1HG THR 82 -12.515 -5.503 12.155 597 HG21 THR 82 1HG2 THR 82 -10.182 -6.411 9.119 598 HG22 THR 82 2HG2 THR 82 -10.614 -7.507 10.432 599 HG23 THR 82 3HG2 THR 82 -9.201 -6.463 10.583 600 H GLU 83 H GLU 83 -7.909 -5.500 12.131 601 HA GLU 83 HA GLU 83 -6.508 -3.245 11.122 602 HB2 GLU 83 1HB GLU 83 -5.751 -5.222 12.707 603 HB3 GLU 83 2HB GLU 83 -5.246 -5.951 11.189 604 HG2 GLU 83 1HG GLU 83 -3.727 -4.204 10.740 605 HG3 GLU 83 2HG GLU 83 -4.401 -3.193 12.017 606 H TYR 84 H TYR 84 -5.267 -3.071 9.207 607 HA TYR 84 HA TYR 84 -5.665 -5.017 7.095 608 HB2 TYR 84 1HB TYR 84 -6.874 -2.265 7.037 609 HB3 TYR 84 2HB TYR 84 -6.425 -3.085 5.546 610 HD1 TYR 84 2HD TYR 84 -7.470 -5.354 5.065 611 HD2 TYR 84 1HD TYR 84 -8.905 -2.752 8.110 612 HE1 TYR 84 2HE TYR 84 -9.613 -6.560 5.076 613 HE2 TYR 84 1HE TYR 84 -11.053 -3.951 8.130 614 HH TYR 84 HH TYR 84 -11.578 -6.799 7.141 615 H SER 85 H SER 85 -3.881 -5.171 5.902 616 HA SER 85 HA SER 85 -1.717 -3.309 6.350 617 HB2 SER 85 1HB SER 85 -1.633 -5.930 6.064 618 HB3 SER 85 2HB SER 85 -1.548 -5.529 4.349 619 HG SER 85 HG SER 85 0.406 -5.482 6.134 620 H PHE 86 H PHE 86 -0.593 -2.182 4.699 621 HA PHE 86 HA PHE 86 -1.894 -1.930 2.104 622 HB2 PHE 86 1HB PHE 86 -1.550 0.364 4.040 623 HB3 PHE 86 2HB PHE 86 -1.843 0.589 2.318 624 HD1 PHE 86 2HD PHE 86 -3.964 -0.434 1.337 625 HD2 PHE 86 1HD PHE 86 -3.319 0.063 5.515 626 HE1 PHE 86 2HE PHE 86 -6.387 -0.603 1.727 627 HE2 PHE 86 1HE PHE 86 -5.742 -0.106 5.912 628 HZ PHE 86 HZ PHE 86 -7.279 -0.439 4.017 629 H ARG 87 H ARG 87 -0.491 -1.519 0.482 630 HA ARG 87 HA ARG 87 2.149 -0.441 1.074 631 HB2 ARG 87 1HB ARG 87 3.308 -2.281 -0.058 632 HB3 ARG 87 2HB ARG 87 2.441 -2.851 1.362 633 HG2 ARG 87 1HG ARG 87 0.695 -3.772 0.000 634 HG3 ARG 87 2HG ARG 87 1.404 -3.066 -1.454 635 HD2 ARG 87 1HD ARG 87 3.468 -4.436 -0.957 636 HD3 ARG 87 2HD ARG 87 2.513 -5.272 0.266 637 HE ARG 87 HE ARG 87 1.005 -5.480 -1.981 638 HH11 ARG 87 2HH1 ARG 87 4.311 -6.246 -1.206 639 HH12 ARG 87 1HH1 ARG 87 4.409 -7.557 -2.334 640 HH21 ARG 87 2HH2 ARG 87 1.120 -7.204 -3.469 641 HH22 ARG 87 1HH2 ARG 87 2.593 -8.101 -3.622 642 H VAL 88 H VAL 88 2.906 0.810 -0.533 643 HA VAL 88 HA VAL 88 1.367 0.856 -3.041 644 HB VAL 88 HB VAL 88 3.034 3.020 -1.751 645 HG11 VAL 88 1HG1 VAL 88 1.653 4.263 -3.716 646 HG12 VAL 88 2HG1 VAL 88 3.314 3.692 -3.883 647 HG13 VAL 88 3HG1 VAL 88 1.978 2.707 -4.479 648 HG21 VAL 88 1HG2 VAL 88 0.275 2.253 -1.518 649 HG22 VAL 88 2HG2 VAL 88 1.161 3.512 -0.657 650 HG23 VAL 88 3HG2 VAL 88 0.402 3.871 -2.207 651 H VAL 89 H VAL 89 2.393 0.830 -5.017 652 HA VAL 89 HA VAL 89 5.311 0.460 -5.011 653 HB VAL 89 HB VAL 89 3.331 -1.243 -6.531 654 HG11 VAL 89 1HG1 VAL 89 6.334 -1.474 -6.500 655 HG12 VAL 89 2HG1 VAL 89 5.191 -2.387 -7.488 656 HG13 VAL 89 3HG1 VAL 89 5.427 -0.663 -7.776 657 HG21 VAL 89 1HG2 VAL 89 3.965 -1.559 -3.961 658 HG22 VAL 89 2HG2 VAL 89 3.696 -2.924 -5.045 659 HG23 VAL 89 3HG2 VAL 89 5.339 -2.395 -4.682 660 H ALA 90 H ALA 90 6.391 1.420 -6.657 661 HA ALA 90 HA ALA 90 4.854 3.183 -8.388 662 HB1 ALA 90 1HB ALA 90 7.780 2.958 -7.746 663 HB2 ALA 90 2HB ALA 90 7.173 4.009 -9.026 664 HB3 ALA 90 3HB ALA 90 6.666 4.269 -7.357 665 H TYR 91 H TYR 91 4.400 2.747 -10.441 666 HA TYR 91 HA TYR 91 5.890 0.580 -11.770 667 HB2 TYR 91 1HB TYR 91 3.011 1.383 -11.833 668 HB3 TYR 91 2HB TYR 91 3.712 0.630 -13.262 669 HD1 TYR 91 2HD TYR 91 3.021 0.134 -9.660 670 HD2 TYR 91 1HD TYR 91 4.118 -1.702 -13.338 671 HE1 TYR 91 2HE TYR 91 2.688 -2.082 -8.646 672 HE2 TYR 91 1HE TYR 91 3.787 -3.923 -12.335 673 HH TYR 91 HH TYR 91 3.386 -4.380 -8.973 674 H ASN 92 H ASN 92 7.170 1.181 -13.375 675 HA ASN 92 HA ASN 92 6.503 3.633 -14.869 676 HB2 ASN 92 1HB ASN 92 9.262 2.575 -14.213 677 HB3 ASN 92 2HB ASN 92 8.912 4.021 -15.156 678 HD21 ASN 92 1HD2 ASN 92 10.437 4.716 -13.320 679 HD22 ASN 92 2HD2 ASN 92 9.660 5.361 -11.918 680 H LYS 93 H LYS 93 7.571 3.686 -17.066 681 HA LYS 93 HA LYS 93 6.625 1.757 -18.731 682 HB2 LYS 93 1HB LYS 93 8.180 2.562 -20.423 683 HB3 LYS 93 2HB LYS 93 7.541 3.911 -19.493 684 HG2 LYS 93 1HG LYS 93 9.563 4.217 -18.341 685 HG3 LYS 93 2HG LYS 93 10.182 2.643 -18.847 686 HD2 LYS 93 1HD LYS 93 11.314 4.005 -20.299 687 HD3 LYS 93 2HD LYS 93 9.867 3.676 -21.254 688 HE2 LYS 93 1HE LYS 93 10.000 5.959 -21.448 689 HE3 LYS 93 2HE LYS 93 8.954 5.809 -20.036 690 HZ1 LYS 93 1HZ LYS 93 10.414 7.087 -18.990 691 HZ2 LYS 93 2HZ LYS 93 11.543 6.975 -20.244 692 HZ3 LYS 93 3HZ LYS 93 11.505 5.794 -19.033 693 H HIS 94 H HIS 94 9.633 1.699 -16.936 694 HA HIS 94 HA HIS 94 10.723 -0.580 -18.268 695 HB2 HIS 94 1HB HIS 94 11.464 0.260 -15.478 696 HB3 HIS 94 2HB HIS 94 12.481 -0.473 -16.715 697 HD1 HIS 94 1HD HIS 94 12.883 1.190 -18.883 698 HD2 HIS 94 2HD HIS 94 11.771 2.940 -15.282 699 HE1 HIS 94 1HE HIS 94 13.520 3.615 -19.089 700 HE2 HIS 94 2HE HIS 94 12.916 4.635 -16.866 701 H GLY 95 H GLY 95 9.361 -0.167 -14.991 702 HA2 GLY 95 1HA GLY 95 7.674 -2.349 -14.995 703 HA3 GLY 95 2HA GLY 95 9.241 -2.976 -14.506 704 HA PRO 96 HA PRO 96 6.887 -1.343 -10.794 705 HB2 PRO 96 1HB PRO 96 6.902 -3.674 -9.401 706 HB3 PRO 96 2HB PRO 96 5.625 -3.247 -10.546 707 HG2 PRO 96 1HG PRO 96 7.999 -5.029 -10.934 708 HG3 PRO 96 2HG PRO 96 6.320 -5.273 -11.450 709 HD2 PRO 96 1HD PRO 96 8.253 -4.414 -13.140 710 HD3 PRO 96 2HD PRO 96 6.557 -3.913 -13.296 711 H GLY 97 H GLY 97 8.100 -0.327 -9.327 712 HA2 GLY 97 1HA GLY 97 10.859 -1.148 -8.927 713 HA3 GLY 97 2HA GLY 97 10.108 0.324 -8.327 714 H VAL 98 H VAL 98 11.080 -0.027 -6.283 715 HA VAL 98 HA VAL 98 10.881 -2.321 -4.729 716 HB VAL 98 HB VAL 98 11.337 -0.952 -2.806 717 HG11 VAL 98 1HG1 VAL 98 13.253 0.407 -3.661 718 HG12 VAL 98 2HG1 VAL 98 13.223 -1.259 -4.242 719 HG13 VAL 98 3HG1 VAL 98 12.700 0.054 -5.298 720 HG21 VAL 98 1HG2 VAL 98 11.213 1.479 -2.857 721 HG22 VAL 98 2HG2 VAL 98 10.617 1.428 -4.516 722 HG23 VAL 98 3HG2 VAL 98 9.637 0.771 -3.206 723 H SER 99 H SER 99 9.659 -1.964 -2.414 724 HA SER 99 HA SER 99 6.878 -1.213 -2.902 725 HB2 SER 99 1HB SER 99 6.953 -3.585 -3.476 726 HB3 SER 99 2HB SER 99 7.725 -3.955 -1.934 727 HG SER 99 HG SER 99 5.735 -2.904 -1.024 728 H THR 100 H THR 100 6.617 0.282 -1.370 729 HA THR 100 HA THR 100 7.951 0.736 0.933 730 HB THR 100 HB THR 100 5.791 1.671 1.884 731 HG1 THR 100 1HG THR 100 4.054 0.863 0.984 732 HG21 THR 100 1HG2 THR 100 5.886 2.805 -0.813 733 HG22 THR 100 2HG2 THR 100 7.470 2.634 -0.057 734 HG23 THR 100 3HG2 THR 100 6.205 3.564 0.746 735 HA PRO 101 HA PRO 101 7.220 -2.482 3.830 736 HB2 PRO 101 1HB PRO 101 7.244 -1.103 6.168 737 HB3 PRO 101 2HB PRO 101 8.702 -1.408 5.217 738 HG2 PRO 101 1HG PRO 101 7.004 1.054 5.343 739 HG3 PRO 101 2HG PRO 101 8.772 0.913 5.332 740 HD2 PRO 101 1HD PRO 101 7.348 1.552 3.119 741 HD3 PRO 101 2HD PRO 101 8.861 0.626 3.047 742 H ASP 102 H ASP 102 5.438 -3.550 4.406 743 HA ASP 102 HA ASP 102 2.879 -2.863 4.115 744 HB2 ASP 102 1HB ASP 102 3.595 -4.361 6.618 745 HB3 ASP 102 2HB ASP 102 2.254 -4.636 5.509 746 H VAL 103 H VAL 103 1.299 -1.699 5.096 747 HA VAL 103 HA VAL 103 2.024 -0.252 7.560 748 HB VAL 103 HB VAL 103 0.491 0.836 5.195 749 HG11 VAL 103 1HG1 VAL 103 -0.324 2.460 6.481 750 HG12 VAL 103 2HG1 VAL 103 0.183 1.501 7.873 751 HG13 VAL 103 3HG1 VAL 103 1.247 2.751 7.227 752 HG21 VAL 103 1HG2 VAL 103 3.285 0.877 5.943 753 HG22 VAL 103 2HG2 VAL 103 2.514 1.393 4.443 754 HG23 VAL 103 3HG2 VAL 103 2.626 2.507 5.805 755 H ALA 104 H ALA 104 0.887 -2.029 8.623 756 HA ALA 104 HA ALA 104 -1.865 -2.534 8.183 757 HB1 ALA 104 1HB ALA 104 0.093 -3.208 10.324 758 HB2 ALA 104 2HB ALA 104 -1.628 -3.434 10.639 759 HB3 ALA 104 3HB ALA 104 -0.862 -4.272 9.290 760 H VAL 105 H VAL 105 -3.669 -1.638 9.030 761 HA VAL 105 HA VAL 105 -3.436 0.313 11.191 762 HB VAL 105 HB VAL 105 -3.270 1.488 8.928 763 HG11 VAL 105 1HG1 VAL 105 -5.019 1.548 7.476 764 HG12 VAL 105 2HG1 VAL 105 -5.295 -0.057 8.155 765 HG13 VAL 105 3HG1 VAL 105 -6.224 1.322 8.743 766 HG21 VAL 105 1HG2 VAL 105 -3.719 2.778 10.864 767 HG22 VAL 105 2HG2 VAL 105 -4.903 3.273 9.655 768 HG23 VAL 105 3HG2 VAL 105 -5.378 2.187 10.961 769 H ARG 106 H ARG 106 -5.184 0.372 12.512 770 HA ARG 106 HA ARG 106 -7.284 -1.581 11.990 771 HB2 ARG 106 1HB ARG 106 -5.967 -1.330 14.205 772 HB3 ARG 106 2HB ARG 106 -7.019 0.047 14.501 773 HG2 ARG 106 1HG ARG 106 -8.965 -1.519 14.149 774 HG3 ARG 106 2HG ARG 106 -7.793 -2.837 14.191 775 HD2 ARG 106 1HD ARG 106 -8.140 -0.794 16.380 776 HD3 ARG 106 2HD ARG 106 -8.899 -2.385 16.377 777 HE ARG 106 HE ARG 106 -6.257 -2.925 16.048 778 HH11 ARG 106 2HH1 ARG 106 -8.089 -1.096 18.375 779 HH12 ARG 106 1HH1 ARG 106 -6.984 -1.396 19.675 780 HH21 ARG 106 2HH2 ARG 106 -4.794 -3.326 17.751 781 HH22 ARG 106 1HH2 ARG 106 -5.110 -2.664 19.319 782 H THR 107 H THR 107 -9.309 -1.070 11.446 783 HA THR 107 HA THR 107 -9.983 1.639 10.831 784 HB THR 107 HB THR 107 -12.281 0.619 10.346 785 HG1 THR 107 1HG THR 107 -12.395 -1.287 11.337 786 HG21 THR 107 1HG2 THR 107 -11.395 0.681 8.301 787 HG22 THR 107 2HG2 THR 107 -10.813 -0.965 8.554 788 HG23 THR 107 3HG2 THR 107 -9.777 0.407 8.945 789 H LEU 108 H LEU 108 -12.470 2.167 11.478 790 HA LEU 108 HA LEU 108 -12.367 2.501 14.363 791 HB2 LEU 108 1HB LEU 108 -14.483 3.559 12.513 792 HB3 LEU 108 2HB LEU 108 -14.020 4.163 14.103 793 HG LEU 108 HG LEU 108 -12.319 4.342 11.617 794 HD11 LEU 108 1HD1 LEU 108 -13.362 6.225 11.088 795 HD12 LEU 108 2HD1 LEU 108 -13.182 6.848 12.728 796 HD13 LEU 108 3HD1 LEU 108 -14.571 5.844 12.314 797 HD21 LEU 108 1HD2 LEU 108 -10.734 4.496 13.226 798 HD22 LEU 108 2HD2 LEU 108 -11.886 4.975 14.473 799 HD23 LEU 108 3HD2 LEU 108 -11.312 6.161 13.300 800 H SER 109 H SER 109 -14.408 2.252 15.623 801 HA SER 109 HA SER 109 -15.788 -0.212 14.794 802 HB2 SER 109 1HB SER 109 -14.849 -0.832 16.793 803 HB3 SER 109 2HB SER 109 -14.845 0.814 17.424 804 HG SER 109 HG SER 109 -17.260 -0.584 17.021 805 H ASP 110 H ASP 110 -17.816 0.022 14.160 806 HA ASP 110 HA ASP 110 -19.292 2.431 14.888 807 HB2 ASP 110 1HB ASP 110 -19.193 1.691 12.512 808 HB3 ASP 110 2HB ASP 110 -20.062 0.227 12.965 809 H SER 111 H SER 111 -19.789 1.976 17.052 810 HA SER 111 HA SER 111 -21.364 -0.406 17.635 811 HB2 SER 111 1HB SER 111 -21.220 0.378 19.993 812 HB3 SER 111 2HB SER 111 -19.637 0.182 19.242 813 HG SER 111 HG SER 111 -20.458 2.290 20.455 814 H GLY 112 H GLY 112 -22.647 1.310 15.881 815 HA2 GLY 112 1HA GLY 112 -25.077 1.617 16.017 816 HA3 GLY 112 2HA GLY 112 -24.818 2.359 17.589 817 HA PRO 113 HA PRO 113 -25.066 5.606 14.192 818 HB2 PRO 113 1HB PRO 113 -27.259 6.884 15.154 819 HB3 PRO 113 2HB PRO 113 -27.355 5.534 14.017 820 HG2 PRO 113 1HG PRO 113 -27.714 5.537 16.989 821 HG3 PRO 113 2HG PRO 113 -28.665 4.701 15.748 822 HD2 PRO 113 1HD PRO 113 -26.775 3.446 17.227 823 HD3 PRO 113 2HD PRO 113 -27.134 2.989 15.550 824 H SER 114 H SER 114 -25.186 5.554 17.672 825 HA SER 114 HA SER 114 -23.756 8.123 17.720 826 HB2 SER 114 1HB SER 114 -24.949 8.761 19.767 827 HB3 SER 114 2HB SER 114 -26.082 8.510 18.439 828 HG SER 114 HG SER 114 -26.594 7.519 20.561 829 H SER 115 H SER 115 -22.578 8.450 19.819 830 HA SER 115 HA SER 115 -21.912 6.076 21.322 831 HB2 SER 115 1HB SER 115 -20.506 6.083 19.150 832 HB3 SER 115 2HB SER 115 -19.630 7.421 19.891 833 HG SER 115 HG SER 115 -18.663 6.055 21.158 834 H GLY 116 H GLY 116 -21.105 6.547 23.319 835 HA2 GLY 116 1HA GLY 116 -20.077 7.852 24.977 836 HA3 GLY 116 2HA GLY 116 -20.070 9.216 23.869 Start of MODEL 7 1 H1 GLY 1 H GLY 1 -6.180 -28.788 4.084 2 HA2 GLY 1 1HA GLY 1 -6.355 -26.641 2.733 3 HA3 GLY 1 2HA GLY 1 -7.099 -25.986 4.184 4 H SER 2 H SER 2 -4.267 -26.232 2.497 5 HA SER 2 HA SER 2 -2.749 -25.179 4.729 6 HB2 SER 2 1HB SER 2 -2.087 -27.800 3.403 7 HB3 SER 2 2HB SER 2 -0.836 -26.817 4.161 8 HG SER 2 HG SER 2 -1.459 -27.659 5.970 9 H SER 3 H SER 3 -0.392 -24.732 3.906 10 HA SER 3 HA SER 3 -0.644 -23.563 1.213 11 HB2 SER 3 1HB SER 3 0.890 -21.821 1.923 12 HB3 SER 3 2HB SER 3 -0.434 -21.925 3.082 13 HG SER 3 HG SER 3 1.988 -21.914 3.750 14 H GLY 4 H GLY 4 1.320 -23.431 -0.072 15 HA2 GLY 4 1HA GLY 4 3.229 -25.592 0.582 16 HA3 GLY 4 2HA GLY 4 2.613 -25.336 -1.044 17 H SER 5 H SER 5 4.824 -24.240 1.398 18 HA SER 5 HA SER 5 5.714 -21.832 0.467 19 HB2 SER 5 1HB SER 5 7.909 -22.392 1.433 20 HB3 SER 5 2HB SER 5 6.596 -22.904 2.494 21 HG SER 5 HG SER 5 7.865 -24.623 0.632 22 H SER 6 H SER 6 5.885 -21.410 -1.662 23 HA SER 6 HA SER 6 6.767 -23.177 -3.643 24 HB2 SER 6 1HB SER 6 6.764 -20.151 -3.595 25 HB3 SER 6 2HB SER 6 7.070 -21.119 -5.037 26 HG SER 6 HG SER 6 5.008 -21.744 -5.082 27 H GLY 7 H GLY 7 8.540 -20.455 -2.157 28 HA2 GLY 7 1HA GLY 7 10.905 -21.589 -1.558 29 HA3 GLY 7 2HA GLY 7 11.034 -21.395 -3.300 30 H ARG 8 H ARG 8 12.212 -20.091 -0.712 31 HA ARG 8 HA ARG 8 11.546 -17.311 -1.068 32 HB2 ARG 8 1HB ARG 8 13.342 -18.869 0.733 33 HB3 ARG 8 2HB ARG 8 13.668 -17.154 0.516 34 HG2 ARG 8 1HG ARG 8 11.586 -16.536 1.419 35 HG3 ARG 8 2HG ARG 8 10.959 -18.181 1.298 36 HD2 ARG 8 1HD ARG 8 13.339 -17.534 3.005 37 HD3 ARG 8 2HD ARG 8 11.695 -17.321 3.606 38 HE ARG 8 HE ARG 8 13.068 -19.820 3.121 39 HH11 ARG 8 2HH1 ARG 8 10.017 -18.226 3.639 40 HH12 ARG 8 1HH1 ARG 8 9.209 -19.661 4.176 41 HH21 ARG 8 2HH2 ARG 8 12.016 -21.717 3.827 42 HH22 ARG 8 1HH2 ARG 8 10.348 -21.646 4.284 43 H VAL 9 H VAL 9 12.131 -16.688 -3.118 44 HA VAL 9 HA VAL 9 14.769 -17.243 -4.152 45 HB VAL 9 HB VAL 9 14.067 -15.851 -6.078 46 HG11 VAL 9 1HG1 VAL 9 12.899 -17.552 -7.011 47 HG12 VAL 9 2HG1 VAL 9 13.351 -18.371 -5.514 48 HG13 VAL 9 3HG1 VAL 9 11.752 -17.643 -5.675 49 HG21 VAL 9 1HG2 VAL 9 11.284 -15.653 -5.536 50 HG22 VAL 9 2HG2 VAL 9 12.161 -14.880 -4.215 51 HG23 VAL 9 3HG2 VAL 9 12.433 -14.360 -5.878 52 H GLU 10 H GLU 10 16.520 -16.029 -3.875 53 HA GLU 10 HA GLU 10 16.239 -13.430 -2.573 54 HB2 GLU 10 1HB GLU 10 18.538 -15.327 -2.965 55 HB3 GLU 10 2HB GLU 10 18.812 -13.664 -2.467 56 HG2 GLU 10 1HG GLU 10 17.105 -15.661 -0.999 57 HG3 GLU 10 2HG GLU 10 18.755 -15.213 -0.573 58 H THR 11 H THR 11 15.569 -12.138 -4.292 59 HA THR 11 HA THR 11 17.707 -11.441 -6.169 60 HB THR 11 HB THR 11 16.218 -12.935 -7.419 61 HG1 THR 11 1HG THR 11 16.166 -10.173 -8.086 62 HG21 THR 11 1HG2 THR 11 14.151 -11.209 -6.211 63 HG22 THR 11 2HG2 THR 11 14.078 -12.907 -6.684 64 HG23 THR 11 3HG2 THR 11 13.894 -11.643 -7.900 65 H GLN 12 H GLN 12 17.721 -9.292 -6.829 66 HA GLN 12 HA GLN 12 15.858 -7.535 -5.372 67 HB2 GLN 12 1HB GLN 12 18.765 -7.189 -6.076 68 HB3 GLN 12 2HB GLN 12 17.749 -5.824 -5.632 69 HG2 GLN 12 1HG GLN 12 18.611 -6.310 -3.597 70 HG3 GLN 12 2HG GLN 12 17.201 -7.367 -3.560 71 HE21 GLN 12 1HE2 GLN 12 20.603 -7.359 -4.551 72 HE22 GLN 12 2HE2 GLN 12 20.931 -8.981 -4.055 73 HA PRO 13 HA PRO 13 14.466 -5.789 -9.149 74 HB2 PRO 13 1HB PRO 13 14.049 -3.205 -8.427 75 HB3 PRO 13 2HB PRO 13 13.007 -4.531 -7.896 76 HG2 PRO 13 1HG PRO 13 15.233 -3.168 -6.431 77 HG3 PRO 13 2HG PRO 13 13.638 -3.661 -5.834 78 HD2 PRO 13 1HD PRO 13 15.879 -5.105 -5.362 79 HD3 PRO 13 2HD PRO 13 14.282 -5.856 -5.552 80 H GLU 14 H GLU 14 14.910 -4.110 -10.779 81 HA GLU 14 HA GLU 14 17.670 -3.884 -11.315 82 HB2 GLU 14 1HB GLU 14 15.180 -2.795 -12.560 83 HB3 GLU 14 2HB GLU 14 16.732 -2.135 -13.054 84 HG2 GLU 14 1HG GLU 14 16.093 -5.071 -13.109 85 HG3 GLU 14 2HG GLU 14 15.838 -3.991 -14.478 86 H VAL 15 H VAL 15 18.681 -1.704 -11.896 87 HA VAL 15 HA VAL 15 18.523 -0.023 -9.531 88 HB VAL 15 HB VAL 15 20.415 0.081 -11.885 89 HG11 VAL 15 1HG1 VAL 15 20.773 1.464 -9.243 90 HG12 VAL 15 2HG1 VAL 15 21.659 1.716 -10.748 91 HG13 VAL 15 3HG1 VAL 15 19.982 2.246 -10.610 92 HG21 VAL 15 1HG2 VAL 15 20.441 -1.332 -9.279 93 HG22 VAL 15 2HG2 VAL 15 21.112 -1.815 -10.837 94 HG23 VAL 15 3HG2 VAL 15 21.961 -0.634 -9.839 95 H GLN 16 H GLN 16 17.833 0.143 -12.964 96 HA GLN 16 HA GLN 16 17.312 2.981 -12.918 97 HB2 GLN 16 1HB GLN 16 16.592 2.646 -15.258 98 HB3 GLN 16 2HB GLN 16 18.195 1.993 -14.948 99 HG2 GLN 16 1HG GLN 16 17.344 0.256 -16.110 100 HG3 GLN 16 2HG GLN 16 16.786 -0.212 -14.504 101 HE21 GLN 16 1HE2 GLN 16 14.977 -1.295 -15.072 102 HE22 GLN 16 2HE2 GLN 16 13.618 -0.571 -15.855 103 H LEU 17 H LEU 17 15.793 1.616 -11.003 104 HA LEU 17 HA LEU 17 13.073 1.849 -12.114 105 HB2 LEU 17 1HB LEU 17 14.292 -0.068 -10.224 106 HB3 LEU 17 2HB LEU 17 12.656 0.470 -9.851 107 HG LEU 17 HG LEU 17 11.747 -0.582 -11.692 108 HD11 LEU 17 1HD1 LEU 17 13.013 0.341 -13.455 109 HD12 LEU 17 2HD1 LEU 17 13.189 -1.407 -13.597 110 HD13 LEU 17 3HD1 LEU 17 14.494 -0.444 -12.906 111 HD21 LEU 17 1HD2 LEU 17 12.284 -2.403 -10.402 112 HD22 LEU 17 2HD2 LEU 17 14.021 -2.145 -10.564 113 HD23 LEU 17 3HD2 LEU 17 13.100 -2.817 -11.910 114 HA PRO 18 HA PRO 18 12.109 5.048 -9.271 115 HB2 PRO 18 1HB PRO 18 9.600 4.404 -8.457 116 HB3 PRO 18 2HB PRO 18 9.959 5.006 -10.080 117 HG2 PRO 18 1HG PRO 18 9.527 2.191 -9.155 118 HG3 PRO 18 2HG PRO 18 8.917 2.996 -10.613 119 HD2 PRO 18 1HD PRO 18 11.055 1.336 -10.653 120 HD3 PRO 18 2HD PRO 18 10.905 2.726 -11.747 121 H GLY 19 H GLY 19 11.597 5.578 -7.026 122 HA2 GLY 19 1HA GLY 19 12.541 3.460 -5.224 123 HA3 GLY 19 2HA GLY 19 12.584 5.185 -4.891 124 HA PRO 20 HA PRO 20 8.899 3.112 -2.808 125 HB2 PRO 20 1HB PRO 20 9.661 3.612 -0.251 126 HB3 PRO 20 2HB PRO 20 10.124 2.145 -1.122 127 HG2 PRO 20 1HG PRO 20 11.700 4.646 -0.654 128 HG3 PRO 20 2HG PRO 20 12.226 2.956 -0.549 129 HD2 PRO 20 1HD PRO 20 12.749 4.513 -2.702 130 HD3 PRO 20 2HD PRO 20 12.484 2.763 -2.832 131 H ALA 21 H ALA 21 7.216 4.451 -2.876 132 HA ALA 21 HA ALA 21 7.260 7.201 -2.920 133 HB1 ALA 21 1HB ALA 21 5.296 6.136 -3.647 134 HB2 ALA 21 2HB ALA 21 5.088 5.289 -2.113 135 HB3 ALA 21 3HB ALA 21 4.827 7.031 -2.201 136 HA PRO 22 HA PRO 22 8.389 7.987 1.354 137 HB2 PRO 22 1HB PRO 22 8.723 10.660 1.020 138 HB3 PRO 22 2HB PRO 22 9.938 9.472 0.533 139 HG2 PRO 22 1HG PRO 22 7.893 10.883 -1.137 140 HG3 PRO 22 2HG PRO 22 9.600 10.560 -1.494 141 HD2 PRO 22 1HD PRO 22 7.588 9.065 -2.519 142 HD3 PRO 22 2HD PRO 22 9.184 8.386 -2.136 143 H ASN 23 H ASN 23 7.649 9.798 2.926 144 HA ASN 23 HA ASN 23 5.897 10.495 4.217 145 HB2 ASN 23 1HB ASN 23 4.913 11.559 1.560 146 HB3 ASN 23 2HB ASN 23 4.456 12.150 3.155 147 HD21 ASN 23 1HD2 ASN 23 6.666 12.460 4.515 148 HD22 ASN 23 2HD2 ASN 23 7.774 13.530 3.731 149 H LEU 24 H LEU 24 5.616 7.830 3.412 150 HA LEU 24 HA LEU 24 2.979 7.351 2.404 151 HB2 LEU 24 1HB LEU 24 4.798 5.755 2.073 152 HB3 LEU 24 2HB LEU 24 4.905 5.510 3.815 153 HG LEU 24 HG LEU 24 2.674 4.504 3.811 154 HD11 LEU 24 1HD1 LEU 24 1.861 3.864 1.414 155 HD12 LEU 24 2HD1 LEU 24 2.765 5.301 0.938 156 HD13 LEU 24 3HD1 LEU 24 1.449 5.434 2.104 157 HD21 LEU 24 1HD2 LEU 24 3.575 2.512 3.381 158 HD22 LEU 24 2HD2 LEU 24 5.024 3.387 2.885 159 HD23 LEU 24 3HD2 LEU 24 3.829 2.905 1.680 160 H ARG 25 H ARG 25 1.311 8.043 3.602 161 HA ARG 25 HA ARG 25 1.280 7.322 6.459 162 HB2 ARG 25 1HB ARG 25 -0.365 9.522 5.226 163 HB3 ARG 25 2HB ARG 25 -0.020 9.244 6.927 164 HG2 ARG 25 1HG ARG 25 2.148 9.905 4.965 165 HG3 ARG 25 2HG ARG 25 1.199 11.155 5.771 166 HD2 ARG 25 1HD ARG 25 2.649 8.985 7.266 167 HD3 ARG 25 2HD ARG 25 3.398 10.528 6.861 168 HE ARG 25 HE ARG 25 1.367 10.045 8.861 169 HH11 ARG 25 2HH1 ARG 25 3.019 12.397 6.897 170 HH12 ARG 25 1HH1 ARG 25 2.635 13.729 7.938 171 HH21 ARG 25 2HH2 ARG 25 0.854 11.790 10.239 172 HH22 ARG 25 1HH2 ARG 25 1.404 13.382 9.839 173 H ALA 26 H ALA 26 -0.838 6.810 7.364 174 HA ALA 26 HA ALA 26 -2.965 6.106 5.537 175 HB1 ALA 26 1HB ALA 26 -2.706 3.713 6.899 176 HB2 ALA 26 2HB ALA 26 -2.299 4.006 5.208 177 HB3 ALA 26 3HB ALA 26 -1.052 4.127 6.448 178 H TYR 27 H TYR 27 -4.850 6.467 6.509 179 HA TYR 27 HA TYR 27 -5.117 6.019 9.383 180 HB2 TYR 27 1HB TYR 27 -6.245 8.237 9.647 181 HB3 TYR 27 2HB TYR 27 -4.523 8.349 9.299 182 HD1 TYR 27 1HD TYR 27 -7.899 8.934 8.003 183 HD2 TYR 27 2HD TYR 27 -3.735 9.230 7.179 184 HE1 TYR 27 1HE TYR 27 -8.387 10.412 6.099 185 HE2 TYR 27 2HE TYR 27 -4.212 10.709 5.273 186 HH TYR 27 HH TYR 27 -5.826 11.528 3.936 187 H ALA 28 H ALA 28 -7.113 5.343 9.995 188 HA ALA 28 HA ALA 28 -8.943 4.577 7.908 189 HB1 ALA 28 1HB ALA 28 -10.127 4.100 10.413 190 HB2 ALA 28 2HB ALA 28 -9.325 2.939 9.355 191 HB3 ALA 28 3HB ALA 28 -8.403 3.777 10.603 192 H ALA 29 H ALA 29 -10.165 6.148 7.050 193 HA ALA 29 HA ALA 29 -11.038 8.453 8.447 194 HB1 ALA 29 1HB ALA 29 -12.279 7.362 5.933 195 HB2 ALA 29 2HB ALA 29 -12.200 9.039 6.474 196 HB3 ALA 29 3HB ALA 29 -10.733 8.213 5.950 197 H SER 30 H SER 30 -12.562 5.361 7.688 198 HA SER 30 HA SER 30 -14.620 5.949 9.684 199 HB2 SER 30 1HB SER 30 -15.066 5.471 6.791 200 HB3 SER 30 2HB SER 30 -16.147 4.623 7.897 201 HG SER 30 HG SER 30 -15.748 7.261 8.535 202 HA PRO 31 HA PRO 31 -14.100 1.799 11.003 203 HB2 PRO 31 1HB PRO 31 -16.634 1.011 11.576 204 HB3 PRO 31 2HB PRO 31 -15.742 2.173 12.565 205 HG2 PRO 31 1HG PRO 31 -17.813 2.672 10.462 206 HG3 PRO 31 2HG PRO 31 -17.623 3.440 12.049 207 HD2 PRO 31 1HD PRO 31 -16.801 4.617 9.753 208 HD3 PRO 31 2HD PRO 31 -15.970 4.862 11.303 209 H THR 32 H THR 32 -15.476 2.474 8.081 210 HA THR 32 HA THR 32 -15.648 -0.383 7.387 211 HB THR 32 HB THR 32 -17.388 0.148 5.730 212 HG1 THR 32 1HG THR 32 -18.152 2.173 5.497 213 HG21 THR 32 1HG2 THR 32 -17.780 0.588 8.637 214 HG22 THR 32 2HG2 THR 32 -18.479 -0.632 7.572 215 HG23 THR 32 3HG2 THR 32 -19.120 1.011 7.572 216 H SER 33 H SER 33 -14.402 2.727 6.698 217 HA SER 33 HA SER 33 -13.103 1.666 4.278 218 HB2 SER 33 1HB SER 33 -13.440 3.637 3.083 219 HB3 SER 33 2HB SER 33 -14.959 3.481 3.965 220 HG SER 33 HG SER 33 -13.731 5.593 3.988 221 H ILE 34 H ILE 34 -11.104 2.968 3.708 222 HA ILE 34 HA ILE 34 -9.769 4.122 6.038 223 HB ILE 34 HB ILE 34 -8.665 1.796 4.461 224 HG12 ILE 34 1HG1 ILE 34 -9.086 2.042 7.440 225 HG13 ILE 34 2HG1 ILE 34 -10.302 1.368 6.360 226 HG21 ILE 34 1HG2 ILE 34 -6.840 3.253 4.770 227 HG22 ILE 34 2HG2 ILE 34 -7.345 3.665 6.408 228 HG23 ILE 34 3HG2 ILE 34 -6.712 2.057 6.060 229 HD11 ILE 34 1HD1 ILE 34 -9.036 -0.506 5.901 230 HD12 ILE 34 2HD1 ILE 34 -7.526 0.270 6.380 231 HD13 ILE 34 3HD1 ILE 34 -8.697 -0.214 7.607 232 H THR 35 H THR 35 -8.369 5.729 5.546 233 HA THR 35 HA THR 35 -8.076 6.392 2.700 234 HB THR 35 HB THR 35 -7.728 8.161 5.129 235 HG1 THR 35 1HG THR 35 -9.662 9.119 3.828 236 HG21 THR 35 1HG2 THR 35 -7.832 9.966 3.305 237 HG22 THR 35 2HG2 THR 35 -7.436 8.665 2.181 238 HG23 THR 35 3HG2 THR 35 -6.323 9.072 3.487 239 H VAL 36 H VAL 36 -6.115 6.607 1.750 240 HA VAL 36 HA VAL 36 -3.720 6.386 3.439 241 HB VAL 36 HB VAL 36 -4.108 4.857 0.863 242 HG11 VAL 36 1HG1 VAL 36 -2.003 3.806 1.387 243 HG12 VAL 36 2HG1 VAL 36 -1.789 5.558 1.377 244 HG13 VAL 36 3HG1 VAL 36 -1.900 4.691 2.909 245 HG21 VAL 36 1HG2 VAL 36 -5.091 4.251 3.425 246 HG22 VAL 36 2HG2 VAL 36 -5.035 3.196 2.013 247 HG23 VAL 36 3HG2 VAL 36 -3.699 3.200 3.164 248 H THR 37 H THR 37 -2.234 7.871 2.984 249 HA THR 37 HA THR 37 -2.289 9.147 0.327 250 HB THR 37 HB THR 37 -1.697 11.276 1.331 251 HG1 THR 37 1HG THR 37 -0.766 9.981 3.283 252 HG21 THR 37 1HG2 THR 37 -4.009 11.139 1.149 253 HG22 THR 37 2HG2 THR 37 -3.788 11.538 2.853 254 HG23 THR 37 3HG2 THR 37 -4.131 9.876 2.373 255 H TRP 38 H TRP 38 -0.403 9.238 -0.729 256 HA TRP 38 HA TRP 38 2.085 8.845 0.781 257 HB2 TRP 38 1HB TRP 38 2.908 7.312 -0.974 258 HB3 TRP 38 2HB TRP 38 1.494 6.670 -0.143 259 HD1 TRP 38 HD TRP 38 2.576 8.109 -3.529 260 HE1 TRP 38 1HE TRP 38 0.816 7.464 -5.292 261 HE3 TRP 38 3HE TRP 38 -0.941 6.048 -0.445 262 HZ2 TRP 38 2HZ TRP 38 -1.728 6.243 -5.365 263 HZ3 TRP 38 3HZ TRP 38 -3.011 5.164 -1.441 264 HH2 TRP 38 HH TRP 38 -3.394 5.261 -3.850 265 H GLU 39 H GLU 39 4.038 9.333 -0.617 266 HA GLU 39 HA GLU 39 3.421 11.582 -2.420 267 HB2 GLU 39 1HB GLU 39 5.536 11.268 -0.316 268 HB3 GLU 39 2HB GLU 39 5.799 12.348 -1.678 269 HG2 GLU 39 1HG GLU 39 3.416 12.523 0.145 270 HG3 GLU 39 2HG GLU 39 4.907 13.429 0.391 271 H THR 40 H THR 40 5.201 12.061 -3.989 272 HA THR 40 HA THR 40 5.980 9.592 -5.292 273 HB THR 40 HB THR 40 6.308 12.470 -6.161 274 HG1 THR 40 1HG THR 40 4.627 10.620 -7.434 275 HG21 THR 40 1HG2 THR 40 7.376 11.799 -8.035 276 HG22 THR 40 2HG2 THR 40 6.454 10.300 -8.148 277 HG23 THR 40 3HG2 THR 40 7.828 10.409 -7.048 278 HA PRO 41 HA PRO 41 10.090 9.603 -3.653 279 HB2 PRO 41 1HB PRO 41 11.149 7.777 -5.360 280 HB3 PRO 41 2HB PRO 41 10.071 7.337 -4.030 281 HG2 PRO 41 1HG PRO 41 9.446 7.693 -6.936 282 HG3 PRO 41 2HG PRO 41 8.898 6.428 -5.820 283 HD2 PRO 41 1HD PRO 41 7.347 8.539 -6.506 284 HD3 PRO 41 2HD PRO 41 7.258 7.767 -4.910 285 H VAL 42 H VAL 42 11.278 11.380 -4.028 286 HA VAL 42 HA VAL 42 11.638 12.681 -6.460 287 HB VAL 42 HB VAL 42 13.445 13.904 -5.428 288 HG11 VAL 42 1HG1 VAL 42 11.326 14.629 -4.686 289 HG12 VAL 42 2HG1 VAL 42 11.151 13.253 -3.595 290 HG13 VAL 42 3HG1 VAL 42 12.327 14.519 -3.239 291 HG21 VAL 42 1HG2 VAL 42 13.724 12.854 -2.868 292 HG22 VAL 42 2HG2 VAL 42 13.778 11.450 -3.934 293 HG23 VAL 42 3HG2 VAL 42 14.907 12.783 -4.175 294 H SER 43 H SER 43 13.254 9.910 -5.142 295 HA SER 43 HA SER 43 15.441 10.049 -7.046 296 HB2 SER 43 1HB SER 43 15.575 9.160 -4.616 297 HB3 SER 43 2HB SER 43 14.847 7.693 -5.269 298 HG SER 43 HG SER 43 17.329 8.872 -5.935 299 H GLY 44 H GLY 44 14.593 9.778 -9.075 300 HA2 GLY 44 1HA GLY 44 13.761 7.067 -9.733 301 HA3 GLY 44 2HA GLY 44 12.589 8.331 -10.074 302 H ASN 45 H ASN 45 13.242 6.982 -12.202 303 HA ASN 45 HA ASN 45 15.333 8.544 -13.569 304 HB2 ASN 45 1HB ASN 45 14.331 5.737 -14.061 305 HB3 ASN 45 2HB ASN 45 15.347 6.606 -15.208 306 HD21 ASN 45 1HD2 ASN 45 15.226 4.832 -12.290 307 HD22 ASN 45 2HD2 ASN 45 16.917 4.861 -11.937 308 H GLY 46 H GLY 46 12.278 6.828 -14.266 309 HA2 GLY 46 1HA GLY 46 11.732 8.840 -16.349 310 HA3 GLY 46 2HA GLY 46 11.029 7.230 -16.288 311 H GLU 47 H GLU 47 9.229 9.045 -16.705 312 HA GLU 47 HA GLU 47 8.196 10.159 -14.240 313 HB2 GLU 47 1HB GLU 47 8.063 11.296 -16.505 314 HB3 GLU 47 2HB GLU 47 6.837 10.111 -16.933 315 HG2 GLU 47 1HG GLU 47 5.414 10.890 -15.136 316 HG3 GLU 47 2HG GLU 47 6.655 12.031 -14.623 317 H ILE 48 H ILE 48 6.911 9.099 -12.896 318 HA ILE 48 HA ILE 48 6.088 6.498 -13.115 319 HB ILE 48 HB ILE 48 4.628 8.689 -11.635 320 HG12 ILE 48 1HG1 ILE 48 6.971 8.579 -10.983 321 HG13 ILE 48 2HG1 ILE 48 5.965 7.927 -9.695 322 HG21 ILE 48 1HG2 ILE 48 3.710 6.944 -10.252 323 HG22 ILE 48 2HG2 ILE 48 3.324 6.609 -11.939 324 HG23 ILE 48 3HG2 ILE 48 4.616 5.717 -11.137 325 HD11 ILE 48 1HD1 ILE 48 7.972 6.596 -10.034 326 HD12 ILE 48 2HD1 ILE 48 6.518 5.665 -10.398 327 HD13 ILE 48 3HD1 ILE 48 7.505 6.308 -11.710 328 H GLN 49 H GLN 49 4.173 5.441 -13.676 329 HA GLN 49 HA GLN 49 2.475 6.935 -15.558 330 HB2 GLN 49 1HB GLN 49 3.075 3.976 -15.421 331 HB3 GLN 49 2HB GLN 49 1.962 4.722 -16.560 332 HG2 GLN 49 1HG GLN 49 4.058 6.175 -17.168 333 HG3 GLN 49 2HG GLN 49 4.932 4.811 -16.473 334 HE21 GLN 49 1HE2 GLN 49 4.746 5.828 -19.244 335 HE22 GLN 49 2HE2 GLN 49 4.240 4.477 -20.193 336 H ASN 50 H ASN 50 2.315 4.241 -13.228 337 HA ASN 50 HA ASN 50 -0.266 5.250 -12.308 338 HB2 ASN 50 1HB ASN 50 -1.260 2.978 -12.401 339 HB3 ASN 50 2HB ASN 50 -0.884 3.619 -13.997 340 HD21 ASN 50 1HD2 ASN 50 -0.530 1.035 -11.900 341 HD22 ASN 50 2HD2 ASN 50 0.674 0.156 -12.773 342 H TYR 51 H TYR 51 -0.842 4.563 -10.207 343 HA TYR 51 HA TYR 51 1.419 3.465 -8.672 344 HB2 TYR 51 1HB TYR 51 -0.632 5.550 -8.055 345 HB3 TYR 51 2HB TYR 51 0.035 4.601 -6.731 346 HD1 TYR 51 1HD TYR 51 2.779 4.334 -7.104 347 HD2 TYR 51 2HD TYR 51 0.339 7.622 -8.261 348 HE1 TYR 51 1HE TYR 51 4.744 5.811 -7.030 349 HE2 TYR 51 2HE TYR 51 2.298 9.108 -8.192 350 HH TYR 51 HH TYR 51 4.809 8.770 -6.693 351 H LYS 52 H LYS 52 1.150 1.446 -8.023 352 HA LYS 52 HA LYS 52 -1.526 0.314 -7.831 353 HB2 LYS 52 1HB LYS 52 0.445 -0.834 -8.981 354 HB3 LYS 52 2HB LYS 52 1.080 -1.128 -7.368 355 HG2 LYS 52 1HG LYS 52 -0.767 -2.501 -6.796 356 HG3 LYS 52 2HG LYS 52 -1.652 -2.023 -8.248 357 HD2 LYS 52 1HD LYS 52 1.018 -3.260 -8.625 358 HD3 LYS 52 2HD LYS 52 -0.291 -4.311 -8.082 359 HE2 LYS 52 1HE LYS 52 -0.630 -4.506 -10.314 360 HE3 LYS 52 2HE LYS 52 -1.567 -3.037 -10.050 361 HZ1 LYS 52 1HZ LYS 52 1.139 -3.310 -11.199 362 HZ2 LYS 52 2HZ LYS 52 0.610 -1.837 -10.558 363 HZ3 LYS 52 3HZ LYS 52 -0.216 -2.540 -11.856 364 H LEU 53 H LEU 53 -2.588 0.309 -5.972 365 HA LEU 53 HA LEU 53 -1.041 0.319 -3.465 366 HB2 LEU 53 1HB LEU 53 -2.182 2.322 -3.431 367 HB3 LEU 53 2HB LEU 53 -3.581 1.657 -4.272 368 HG LEU 53 HG LEU 53 -4.126 0.404 -2.160 369 HD11 LEU 53 1HD1 LEU 53 -2.336 2.323 -0.736 370 HD12 LEU 53 2HD1 LEU 53 -1.696 0.786 -1.318 371 HD13 LEU 53 3HD1 LEU 53 -3.035 0.806 -0.170 372 HD21 LEU 53 1HD2 LEU 53 -5.535 2.172 -2.396 373 HD22 LEU 53 2HD2 LEU 53 -4.225 3.347 -2.518 374 HD23 LEU 53 3HD2 LEU 53 -4.684 2.698 -0.943 375 H TYR 54 H TYR 54 -1.040 -1.626 -2.559 376 HA TYR 54 HA TYR 54 -3.212 -3.489 -3.029 377 HB2 TYR 54 1HB TYR 54 -0.691 -3.819 -1.388 378 HB3 TYR 54 2HB TYR 54 -1.810 -5.103 -1.832 379 HD1 TYR 54 2HD TYR 54 0.432 -2.534 -3.336 380 HD2 TYR 54 1HD TYR 54 -1.457 -6.320 -3.785 381 HE1 TYR 54 2HE TYR 54 1.704 -2.917 -5.406 382 HE2 TYR 54 1HE TYR 54 -0.189 -6.714 -5.855 383 HH TYR 54 HH TYR 54 1.085 -5.702 -7.455 384 H TYR 55 H TYR 55 -4.500 -4.418 -1.420 385 HA TYR 55 HA TYR 55 -4.370 -3.356 1.282 386 HB2 TYR 55 1HB TYR 55 -6.557 -2.431 1.322 387 HB3 TYR 55 2HB TYR 55 -5.780 -1.769 -0.112 388 HD1 TYR 55 1HD TYR 55 -6.238 -3.039 -2.343 389 HD2 TYR 55 2HD TYR 55 -8.656 -3.403 1.138 390 HE1 TYR 55 1HE TYR 55 -8.103 -3.844 -3.730 391 HE2 TYR 55 2HE TYR 55 -10.527 -4.211 -0.239 392 HH TYR 55 HH TYR 55 -10.131 -4.892 -3.660 393 H MET 56 H MET 56 -4.776 -4.935 2.679 394 HA MET 56 HA MET 56 -6.786 -6.942 2.137 395 HB2 MET 56 1HB MET 56 -5.460 -8.792 1.923 396 HB3 MET 56 2HB MET 56 -4.404 -7.605 1.170 397 HG2 MET 56 1HG MET 56 -3.376 -7.317 3.490 398 HG3 MET 56 2HG MET 56 -4.215 -8.810 3.904 399 HE1 MET 56 1HE MET 56 -2.186 -11.293 3.457 400 HE2 MET 56 2HE MET 56 -0.957 -10.138 3.972 401 HE3 MET 56 3HE MET 56 -2.603 -10.011 4.595 402 H GLU 57 H GLU 57 -7.115 -8.391 4.013 403 HA GLU 57 HA GLU 57 -6.840 -6.873 6.468 404 HB2 GLU 57 1HB GLU 57 -8.995 -7.798 6.138 405 HB3 GLU 57 2HB GLU 57 -8.340 -9.376 5.725 406 HG2 GLU 57 1HG GLU 57 -7.479 -9.505 8.091 407 HG3 GLU 57 2HG GLU 57 -8.451 -8.074 8.428 408 H LYS 58 H LYS 58 -5.521 -7.333 8.130 409 HA LYS 58 HA LYS 58 -3.262 -8.921 7.812 410 HB2 LYS 58 1HB LYS 58 -3.924 -7.046 9.576 411 HB3 LYS 58 2HB LYS 58 -4.306 -8.449 10.566 412 HG2 LYS 58 1HG LYS 58 -2.149 -8.214 11.175 413 HG3 LYS 58 2HG LYS 58 -1.880 -9.180 9.723 414 HD2 LYS 58 1HD LYS 58 -2.035 -6.237 9.390 415 HD3 LYS 58 2HD LYS 58 -0.597 -6.887 10.181 416 HE2 LYS 58 1HE LYS 58 -1.654 -7.809 7.511 417 HE3 LYS 58 2HE LYS 58 -0.360 -6.630 7.721 418 HZ1 LYS 58 1HZ LYS 58 0.603 -8.763 7.337 419 HZ2 LYS 58 2HZ LYS 58 -0.327 -9.478 8.555 420 HZ3 LYS 58 3HZ LYS 58 0.878 -8.360 8.957 421 H GLY 59 H GLY 59 -3.529 -11.034 7.283 422 HA2 GLY 59 1HA GLY 59 -3.502 -13.226 8.359 423 HA3 GLY 59 2HA GLY 59 -4.901 -12.711 9.290 424 H THR 60 H THR 60 -4.280 -12.370 5.817 425 HA THR 60 HA THR 60 -6.548 -14.178 5.308 426 HB THR 60 HB THR 60 -6.067 -11.836 3.506 427 HG1 THR 60 1HG THR 60 -6.600 -10.526 5.072 428 HG21 THR 60 1HG2 THR 60 -8.787 -12.307 3.885 429 HG22 THR 60 2HG2 THR 60 -8.053 -13.910 3.860 430 HG23 THR 60 3HG2 THR 60 -7.811 -12.808 2.506 431 H ASP 61 H ASP 61 -3.592 -12.699 4.067 432 HA ASP 61 HA ASP 61 -1.993 -13.484 2.647 433 HB2 ASP 61 1HB ASP 61 -2.341 -15.623 3.931 434 HB3 ASP 61 2HB ASP 61 -3.479 -16.115 2.680 435 H LYS 62 H LYS 62 -4.546 -12.317 1.741 436 HA LYS 62 HA LYS 62 -4.417 -13.250 -1.043 437 HB2 LYS 62 1HB LYS 62 -6.807 -12.985 0.711 438 HB3 LYS 62 2HB LYS 62 -6.978 -12.499 -0.970 439 HG2 LYS 62 1HG LYS 62 -5.901 -15.181 -0.152 440 HG3 LYS 62 2HG LYS 62 -7.617 -14.873 -0.426 441 HD2 LYS 62 1HD LYS 62 -7.086 -14.124 -2.716 442 HD3 LYS 62 2HD LYS 62 -5.389 -14.515 -2.431 443 HE2 LYS 62 1HE LYS 62 -6.272 -16.368 -3.579 444 HE3 LYS 62 2HE LYS 62 -6.177 -16.867 -1.891 445 HZ1 LYS 62 1HZ LYS 62 -8.584 -16.080 -3.423 446 HZ2 LYS 62 2HZ LYS 62 -8.578 -16.167 -1.734 447 HZ3 LYS 62 3HZ LYS 62 -8.272 -17.554 -2.653 448 H GLU 63 H GLU 63 -2.868 -11.280 -0.691 449 HA GLU 63 HA GLU 63 -3.842 -8.686 -0.406 450 HB2 GLU 63 1HB GLU 63 -1.424 -9.418 -0.446 451 HB3 GLU 63 2HB GLU 63 -1.549 -9.489 -2.198 452 HG2 GLU 63 1HG GLU 63 -0.670 -7.405 -1.923 453 HG3 GLU 63 2HG GLU 63 -2.391 -7.027 -1.937 454 H GLN 64 H GLN 64 -4.615 -7.151 -1.810 455 HA GLN 64 HA GLN 64 -5.416 -8.140 -4.466 456 HB2 GLN 64 1HB GLN 64 -6.792 -6.329 -2.506 457 HB3 GLN 64 2HB GLN 64 -7.183 -6.251 -4.219 458 HG2 GLN 64 1HG GLN 64 -8.195 -8.291 -4.229 459 HG3 GLN 64 2HG GLN 64 -7.212 -8.909 -2.902 460 HE21 GLN 64 1HE2 GLN 64 -8.371 -9.314 -1.174 461 HE22 GLN 64 2HE2 GLN 64 -9.727 -8.404 -0.612 462 H ASP 65 H ASP 65 -6.065 -6.003 -5.835 463 HA ASP 65 HA ASP 65 -4.052 -3.927 -5.539 464 HB2 ASP 65 1HB ASP 65 -2.912 -4.290 -7.531 465 HB3 ASP 65 2HB ASP 65 -3.163 -5.934 -6.952 466 H VAL 66 H VAL 66 -4.740 -1.992 -6.269 467 HA VAL 66 HA VAL 66 -7.102 -1.918 -8.019 468 HB VAL 66 HB VAL 66 -8.028 -0.051 -6.695 469 HG11 VAL 66 1HG1 VAL 66 -9.256 -1.510 -5.537 470 HG12 VAL 66 2HG1 VAL 66 -8.174 -2.755 -6.166 471 HG13 VAL 66 3HG1 VAL 66 -7.871 -2.040 -4.582 472 HG21 VAL 66 1HG2 VAL 66 -5.757 -0.715 -4.830 473 HG22 VAL 66 2HG2 VAL 66 -6.074 0.821 -5.635 474 HG23 VAL 66 3HG2 VAL 66 -7.157 0.252 -4.365 475 H ASP 67 H ASP 67 -6.731 -0.713 -9.749 476 HA ASP 67 HA ASP 67 -4.389 0.868 -10.034 477 HB2 ASP 67 1HB ASP 67 -5.767 -0.360 -11.851 478 HB3 ASP 67 2HB ASP 67 -6.779 1.083 -11.847 479 H VAL 68 H VAL 68 -4.128 2.722 -8.974 480 HA VAL 68 HA VAL 68 -6.425 4.550 -8.742 481 HB VAL 68 HB VAL 68 -3.911 4.387 -7.075 482 HG11 VAL 68 1HG1 VAL 68 -4.745 6.213 -5.779 483 HG12 VAL 68 2HG1 VAL 68 -4.728 6.717 -7.470 484 HG13 VAL 68 3HG1 VAL 68 -6.247 6.253 -6.702 485 HG21 VAL 68 1HG2 VAL 68 -5.126 3.354 -5.456 486 HG22 VAL 68 2HG2 VAL 68 -6.630 4.150 -5.919 487 HG23 VAL 68 3HG2 VAL 68 -6.029 2.784 -6.859 488 H SER 69 H SER 69 -6.206 6.717 -9.284 489 HA SER 69 HA SER 69 -3.942 7.302 -11.060 490 HB2 SER 69 1HB SER 69 -6.717 8.485 -10.871 491 HB3 SER 69 2HB SER 69 -5.445 9.169 -11.883 492 HG SER 69 HG SER 69 -5.346 7.146 -12.966 493 H SER 70 H SER 70 -5.716 8.503 -8.276 494 HA SER 70 HA SER 70 -4.022 10.858 -8.072 495 HB2 SER 70 1HB SER 70 -5.431 11.284 -5.998 496 HB3 SER 70 2HB SER 70 -6.307 11.261 -7.528 497 HG SER 70 HG SER 70 -6.057 8.966 -5.894 498 H HIS 71 H HIS 71 -2.812 11.346 -6.144 499 HA HIS 71 HA HIS 71 -1.158 9.224 -5.305 500 HB2 HIS 71 1HB HIS 71 -1.513 12.062 -4.373 501 HB3 HIS 71 2HB HIS 71 -0.404 10.967 -3.553 502 HD1 HIS 71 1HD HIS 71 -0.599 13.279 -6.335 503 HD2 HIS 71 2HD HIS 71 1.672 9.936 -5.372 504 HE1 HIS 71 1HE HIS 71 1.405 13.367 -7.852 505 HE2 HIS 71 2HE HIS 71 2.721 11.289 -7.310 506 H SER 72 H SER 72 -4.110 10.530 -4.045 507 HA SER 72 HA SER 72 -3.887 8.730 -1.720 508 HB2 SER 72 1HB SER 72 -5.540 11.260 -1.862 509 HB3 SER 72 2HB SER 72 -5.256 10.253 -0.443 510 HG SER 72 HG SER 72 -2.944 10.781 -0.852 511 H TYR 73 H TYR 73 -5.452 7.252 -1.428 512 HA TYR 73 HA TYR 73 -7.848 7.426 -3.132 513 HB2 TYR 73 1HB TYR 73 -6.248 5.748 -4.004 514 HB3 TYR 73 2HB TYR 73 -6.316 4.905 -2.460 515 HD1 TYR 73 2HD TYR 73 -8.547 6.087 -5.209 516 HD2 TYR 73 1HD TYR 73 -7.840 3.180 -2.184 517 HE1 TYR 73 2HE TYR 73 -10.480 4.794 -6.008 518 HE2 TYR 73 1HE TYR 73 -9.770 1.878 -2.975 519 HH TYR 73 HH TYR 73 -12.114 3.073 -4.936 520 H THR 74 H THR 74 -9.588 5.858 -2.334 521 HA THR 74 HA THR 74 -9.591 5.667 0.597 522 HB THR 74 HB THR 74 -11.920 6.719 -1.021 523 HG1 THR 74 1HG THR 74 -10.143 8.218 -0.782 524 HG21 THR 74 1HG2 THR 74 -12.655 7.345 1.386 525 HG22 THR 74 2HG2 THR 74 -11.508 6.102 1.884 526 HG23 THR 74 3HG2 THR 74 -12.864 5.683 0.837 527 H ILE 75 H ILE 75 -9.748 3.557 0.992 528 HA ILE 75 HA ILE 75 -11.295 1.844 -0.794 529 HB ILE 75 HB ILE 75 -9.500 1.157 1.536 530 HG12 ILE 75 1HG1 ILE 75 -9.097 0.638 -1.413 531 HG13 ILE 75 2HG1 ILE 75 -8.437 2.041 -0.579 532 HG21 ILE 75 1HG2 ILE 75 -11.518 -0.395 0.196 533 HG22 ILE 75 2HG2 ILE 75 -9.923 -1.106 -0.047 534 HG23 ILE 75 3HG2 ILE 75 -10.520 -0.816 1.587 535 HD11 ILE 75 1HD1 ILE 75 -7.037 -0.164 -0.948 536 HD12 ILE 75 2HD1 ILE 75 -6.857 0.824 0.502 537 HD13 ILE 75 3HD1 ILE 75 -7.847 -0.635 0.546 538 H ASN 76 H ASN 76 -13.281 1.157 -0.343 539 HA ASN 76 HA ASN 76 -14.247 1.406 2.431 540 HB2 ASN 76 1HB ASN 76 -16.029 1.578 0.008 541 HB3 ASN 76 2HB ASN 76 -16.373 2.088 1.658 542 HD21 ASN 76 1HD2 ASN 76 -16.785 3.733 -0.521 543 HD22 ASN 76 2HD2 ASN 76 -15.673 5.053 -0.450 544 H GLY 77 H GLY 77 -16.225 -0.023 2.825 545 HA2 GLY 77 1HA GLY 77 -17.286 -2.081 2.738 546 HA3 GLY 77 2HA GLY 77 -16.417 -2.428 1.250 547 H LEU 78 H LEU 78 -15.506 -1.821 4.646 548 HA LEU 78 HA LEU 78 -13.987 -4.342 4.578 549 HB2 LEU 78 1HB LEU 78 -13.113 -1.898 6.093 550 HB3 LEU 78 2HB LEU 78 -12.196 -3.371 5.783 551 HG LEU 78 HG LEU 78 -12.992 -1.383 3.659 552 HD11 LEU 78 1HD1 LEU 78 -10.278 -1.258 3.881 553 HD12 LEU 78 2HD1 LEU 78 -10.775 -1.414 5.566 554 HD13 LEU 78 3HD1 LEU 78 -11.409 -0.098 4.579 555 HD21 LEU 78 1HD2 LEU 78 -12.654 -3.443 2.610 556 HD22 LEU 78 2HD2 LEU 78 -11.324 -3.878 3.684 557 HD23 LEU 78 3HD2 LEU 78 -11.099 -2.625 2.462 558 H LYS 79 H LYS 79 -13.405 -5.062 6.869 559 HA LYS 79 HA LYS 79 -15.844 -5.235 8.373 560 HB2 LYS 79 1HB LYS 79 -13.076 -6.355 8.795 561 HB3 LYS 79 2HB LYS 79 -14.386 -6.612 9.940 562 HG2 LYS 79 1HG LYS 79 -14.734 -7.315 7.055 563 HG3 LYS 79 2HG LYS 79 -13.897 -8.410 8.158 564 HD2 LYS 79 1HD LYS 79 -16.614 -7.292 8.790 565 HD3 LYS 79 2HD LYS 79 -16.411 -8.755 7.823 566 HE2 LYS 79 1HE LYS 79 -14.968 -8.564 10.417 567 HE3 LYS 79 2HE LYS 79 -16.708 -8.850 10.450 568 HZ1 LYS 79 1HZ LYS 79 -16.476 -10.913 9.615 569 HZ2 LYS 79 2HZ LYS 79 -14.919 -10.795 10.266 570 HZ3 LYS 79 3HZ LYS 79 -15.171 -10.504 8.618 571 H LYS 80 H LYS 80 -16.080 -4.694 10.613 572 HA LYS 80 HA LYS 80 -14.879 -2.141 11.248 573 HB2 LYS 80 1HB LYS 80 -17.130 -3.775 12.318 574 HB3 LYS 80 2HB LYS 80 -16.390 -2.594 13.392 575 HG2 LYS 80 1HG LYS 80 -17.158 -0.815 12.196 576 HG3 LYS 80 2HG LYS 80 -17.163 -1.701 10.669 577 HD2 LYS 80 1HD LYS 80 -19.076 -2.361 12.890 578 HD3 LYS 80 2HD LYS 80 -19.428 -1.102 11.704 579 HE2 LYS 80 1HE LYS 80 -19.555 -2.614 9.951 580 HE3 LYS 80 2HE LYS 80 -18.604 -3.831 10.800 581 HZ1 LYS 80 1HZ LYS 80 -20.704 -3.654 12.410 582 HZ2 LYS 80 2HZ LYS 80 -20.624 -4.739 11.115 583 HZ3 LYS 80 3HZ LYS 80 -21.452 -3.274 10.941 584 H TYR 81 H TYR 81 -13.673 -1.667 13.103 585 HA TYR 81 HA TYR 81 -11.902 -2.042 14.497 586 HB2 TYR 81 1HB TYR 81 -13.994 -2.739 15.816 587 HB3 TYR 81 2HB TYR 81 -13.481 -4.396 15.517 588 HD1 TYR 81 2HD TYR 81 -11.750 -1.240 16.552 589 HD2 TYR 81 1HD TYR 81 -12.490 -5.352 17.359 590 HE1 TYR 81 2HE TYR 81 -10.253 -1.121 18.499 591 HE2 TYR 81 1HE TYR 81 -10.995 -5.244 19.309 592 HH TYR 81 HH TYR 81 -10.139 -2.649 20.828 593 H THR 82 H THR 82 -11.468 -3.163 12.006 594 HA THR 82 HA THR 82 -9.975 -5.609 12.697 595 HB THR 82 HB THR 82 -11.202 -4.988 10.004 596 HG1 THR 82 1HG THR 82 -12.654 -5.606 11.831 597 HG21 THR 82 1HG2 THR 82 -9.312 -6.337 9.627 598 HG22 THR 82 2HG2 THR 82 -10.664 -7.468 9.675 599 HG23 THR 82 3HG2 THR 82 -9.606 -7.300 11.075 600 H GLU 83 H GLU 83 -7.986 -5.944 11.561 601 HA GLU 83 HA GLU 83 -6.664 -3.423 10.909 602 HB2 GLU 83 1HB GLU 83 -5.804 -5.344 12.513 603 HB3 GLU 83 2HB GLU 83 -5.208 -6.028 11.007 604 HG2 GLU 83 1HG GLU 83 -3.889 -4.066 10.577 605 HG3 GLU 83 2HG GLU 83 -4.572 -3.255 11.985 606 H TYR 84 H TYR 84 -5.443 -3.124 9.014 607 HA TYR 84 HA TYR 84 -5.717 -5.098 6.884 608 HB2 TYR 84 1HB TYR 84 -6.851 -2.309 6.784 609 HB3 TYR 84 2HB TYR 84 -6.432 -3.192 5.320 610 HD1 TYR 84 2HD TYR 84 -7.640 -5.295 4.763 611 HD2 TYR 84 1HD TYR 84 -8.829 -2.816 8.010 612 HE1 TYR 84 2HE TYR 84 -9.831 -6.411 4.805 613 HE2 TYR 84 1HE TYR 84 -11.023 -3.927 8.062 614 HH TYR 84 HH TYR 84 -11.780 -6.603 5.856 615 H SER 85 H SER 85 -3.950 -5.205 5.640 616 HA SER 85 HA SER 85 -1.740 -3.436 6.231 617 HB2 SER 85 1HB SER 85 -1.759 -6.052 5.752 618 HB3 SER 85 2HB SER 85 -1.559 -5.505 4.087 619 HG SER 85 HG SER 85 0.453 -5.188 4.554 620 H PHE 86 H PHE 86 -0.567 -2.242 4.665 621 HA PHE 86 HA PHE 86 -1.813 -1.809 2.069 622 HB2 PHE 86 1HB PHE 86 -1.446 0.387 4.114 623 HB3 PHE 86 2HB PHE 86 -1.782 0.675 2.410 624 HD1 PHE 86 2HD PHE 86 -3.927 -0.336 1.448 625 HD2 PHE 86 1HD PHE 86 -3.180 0.064 5.620 626 HE1 PHE 86 2HE PHE 86 -6.339 -0.517 1.894 627 HE2 PHE 86 1HE PHE 86 -5.592 -0.117 6.072 628 HZ PHE 86 HZ PHE 86 -7.175 -0.407 4.208 629 H ARG 87 H ARG 87 -0.357 -1.384 0.509 630 HA ARG 87 HA ARG 87 2.246 -0.283 1.168 631 HB2 ARG 87 1HB ARG 87 3.366 -2.194 -0.106 632 HB3 ARG 87 2HB ARG 87 2.818 -2.536 1.530 633 HG2 ARG 87 1HG ARG 87 1.040 -3.841 0.797 634 HG3 ARG 87 2HG ARG 87 1.085 -3.155 -0.829 635 HD2 ARG 87 1HD ARG 87 3.506 -4.583 0.113 636 HD3 ARG 87 2HD ARG 87 2.083 -5.560 -0.247 637 HE ARG 87 HE ARG 87 2.429 -3.860 -2.399 638 HH11 ARG 87 2HH1 ARG 87 4.225 -6.389 -0.817 639 HH12 ARG 87 1HH1 ARG 87 5.044 -6.889 -2.260 640 HH21 ARG 87 2HH2 ARG 87 3.501 -4.509 -4.305 641 HH22 ARG 87 1HH2 ARG 87 4.632 -5.818 -4.243 642 H VAL 88 H VAL 88 2.837 1.093 -0.373 643 HA VAL 88 HA VAL 88 1.415 1.034 -2.928 644 HB VAL 88 HB VAL 88 3.177 3.173 -1.724 645 HG11 VAL 88 1HG1 VAL 88 1.981 4.534 -3.588 646 HG12 VAL 88 2HG1 VAL 88 3.384 3.545 -3.997 647 HG13 VAL 88 3HG1 VAL 88 1.757 2.958 -4.346 648 HG21 VAL 88 1HG2 VAL 88 1.333 4.157 -0.870 649 HG22 VAL 88 2HG2 VAL 88 0.309 3.652 -2.214 650 HG23 VAL 88 3HG2 VAL 88 0.688 2.516 -0.919 651 H VAL 89 H VAL 89 2.475 1.085 -4.923 652 HA VAL 89 HA VAL 89 5.364 0.562 -4.905 653 HB VAL 89 HB VAL 89 3.300 -1.101 -6.352 654 HG11 VAL 89 1HG1 VAL 89 6.275 -0.910 -6.680 655 HG12 VAL 89 2HG1 VAL 89 5.399 -2.391 -7.074 656 HG13 VAL 89 3HG1 VAL 89 5.019 -0.889 -7.918 657 HG21 VAL 89 1HG2 VAL 89 4.779 -1.404 -3.876 658 HG22 VAL 89 2HG2 VAL 89 3.411 -2.330 -4.493 659 HG23 VAL 89 3HG2 VAL 89 5.053 -2.750 -4.982 660 H ALA 90 H ALA 90 6.482 1.392 -6.616 661 HA ALA 90 HA ALA 90 5.052 3.285 -8.289 662 HB1 ALA 90 1HB ALA 90 7.985 2.728 -7.895 663 HB2 ALA 90 2HB ALA 90 7.361 3.925 -9.032 664 HB3 ALA 90 3HB ALA 90 7.056 4.106 -7.305 665 H TYR 91 H TYR 91 4.542 2.993 -10.365 666 HA TYR 91 HA TYR 91 5.807 0.766 -11.819 667 HB2 TYR 91 1HB TYR 91 2.902 1.440 -11.524 668 HB3 TYR 91 2HB TYR 91 3.468 0.657 -12.995 669 HD1 TYR 91 1HD TYR 91 4.412 -1.616 -12.907 670 HD2 TYR 91 2HD TYR 91 2.780 0.244 -9.446 671 HE1 TYR 91 1HE TYR 91 4.305 -3.804 -11.789 672 HE2 TYR 91 2HE TYR 91 2.670 -1.939 -8.318 673 HH TYR 91 HH TYR 91 2.742 -4.765 -9.772 674 H ASN 92 H ASN 92 7.061 1.735 -13.284 675 HA ASN 92 HA ASN 92 5.837 3.805 -14.982 676 HB2 ASN 92 1HB ASN 92 8.050 4.905 -15.141 677 HB3 ASN 92 2HB ASN 92 7.422 4.903 -13.495 678 HD21 ASN 92 1HD2 ASN 92 9.942 5.385 -13.548 679 HD22 ASN 92 2HD2 ASN 92 10.912 4.011 -13.153 680 H LYS 93 H LYS 93 7.213 4.097 -17.048 681 HA LYS 93 HA LYS 93 7.019 1.946 -18.677 682 HB2 LYS 93 1HB LYS 93 8.654 3.007 -20.161 683 HB3 LYS 93 2HB LYS 93 7.545 4.193 -19.486 684 HG2 LYS 93 1HG LYS 93 9.202 4.961 -17.941 685 HG3 LYS 93 2HG LYS 93 10.302 3.660 -18.403 686 HD2 LYS 93 1HD LYS 93 11.141 5.429 -19.622 687 HD3 LYS 93 2HD LYS 93 10.052 4.682 -20.792 688 HE2 LYS 93 1HE LYS 93 8.334 6.307 -20.280 689 HE3 LYS 93 2HE LYS 93 9.336 7.008 -19.010 690 HZ1 LYS 93 1HZ LYS 93 11.000 7.472 -20.826 691 HZ2 LYS 93 2HZ LYS 93 9.584 8.395 -20.868 692 HZ3 LYS 93 3HZ LYS 93 9.779 7.097 -21.936 693 H HIS 94 H HIS 94 9.835 2.779 -16.697 694 HA HIS 94 HA HIS 94 11.565 0.778 -17.600 695 HB2 HIS 94 1HB HIS 94 11.416 1.907 -14.798 696 HB3 HIS 94 2HB HIS 94 12.811 1.137 -15.547 697 HD1 HIS 94 1HD HIS 94 13.153 2.557 -18.127 698 HD2 HIS 94 2HD HIS 94 11.978 4.540 -14.671 699 HE1 HIS 94 1HE HIS 94 13.759 4.969 -18.497 700 HE2 HIS 94 2HE HIS 94 13.117 6.135 -16.359 701 H GLY 95 H GLY 95 9.824 0.727 -14.482 702 HA2 GLY 95 1HA GLY 95 8.478 -1.636 -14.678 703 HA3 GLY 95 2HA GLY 95 10.119 -2.128 -14.286 704 HA PRO 96 HA PRO 96 7.607 -1.018 -10.429 705 HB2 PRO 96 1HB PRO 96 7.435 -3.523 -9.396 706 HB3 PRO 96 2HB PRO 96 6.221 -2.850 -10.491 707 HG2 PRO 96 1HG PRO 96 8.490 -4.710 -11.090 708 HG3 PRO 96 2HG PRO 96 6.815 -4.764 -11.671 709 HD2 PRO 96 1HD PRO 96 8.848 -3.796 -13.175 710 HD3 PRO 96 2HD PRO 96 7.192 -3.167 -13.290 711 H GLY 97 H GLY 97 9.184 -0.053 -9.269 712 HA2 GLY 97 1HA GLY 97 11.721 -1.274 -8.760 713 HA3 GLY 97 2HA GLY 97 11.131 0.229 -8.067 714 H VAL 98 H VAL 98 11.107 0.160 -5.931 715 HA VAL 98 HA VAL 98 10.875 -2.390 -4.551 716 HB VAL 98 HB VAL 98 11.495 -1.217 -2.550 717 HG11 VAL 98 1HG1 VAL 98 13.119 -0.184 -4.872 718 HG12 VAL 98 2HG1 VAL 98 13.660 -0.301 -3.197 719 HG13 VAL 98 3HG1 VAL 98 13.298 -1.765 -4.113 720 HG21 VAL 98 1HG2 VAL 98 10.069 0.826 -3.214 721 HG22 VAL 98 2HG2 VAL 98 11.535 1.094 -2.272 722 HG23 VAL 98 3HG2 VAL 98 11.535 1.400 -4.008 723 H SER 99 H SER 99 9.513 -2.402 -2.507 724 HA SER 99 HA SER 99 6.934 -1.069 -3.012 725 HB2 SER 99 1HB SER 99 6.761 -3.452 -3.537 726 HB3 SER 99 2HB SER 99 7.395 -3.865 -1.944 727 HG SER 99 HG SER 99 5.481 -2.492 -1.227 728 H THR 100 H THR 100 6.478 0.341 -1.471 729 HA THR 100 HA THR 100 7.815 0.860 0.831 730 HB THR 100 HB THR 100 5.608 1.768 1.745 731 HG1 THR 100 1HG THR 100 4.767 0.629 -0.707 732 HG21 THR 100 1HG2 THR 100 7.117 2.580 -0.627 733 HG22 THR 100 2HG2 THR 100 6.611 3.527 0.773 734 HG23 THR 100 3HG2 THR 100 5.488 3.252 -0.559 735 HA PRO 101 HA PRO 101 7.073 -2.302 3.786 736 HB2 PRO 101 1HB PRO 101 7.029 -0.876 6.095 737 HB3 PRO 101 2HB PRO 101 8.511 -1.176 5.179 738 HG2 PRO 101 1HG PRO 101 6.771 1.260 5.222 739 HG3 PRO 101 2HG PRO 101 8.541 1.148 5.248 740 HD2 PRO 101 1HD PRO 101 7.150 1.719 2.996 741 HD3 PRO 101 2HD PRO 101 8.679 0.817 2.971 742 H ASP 102 H ASP 102 5.299 -3.386 4.354 743 HA ASP 102 HA ASP 102 2.723 -2.625 4.025 744 HB2 ASP 102 1HB ASP 102 2.094 -4.387 5.672 745 HB3 ASP 102 2HB ASP 102 3.291 -4.925 4.497 746 H VAL 103 H VAL 103 1.207 -1.452 5.060 747 HA VAL 103 HA VAL 103 1.954 -0.259 7.652 748 HB VAL 103 HB VAL 103 0.482 0.977 5.330 749 HG11 VAL 103 1HG1 VAL 103 0.093 1.439 8.142 750 HG12 VAL 103 2HG1 VAL 103 0.743 2.883 7.362 751 HG13 VAL 103 3HG1 VAL 103 -0.746 2.150 6.764 752 HG21 VAL 103 1HG2 VAL 103 2.372 2.087 4.930 753 HG22 VAL 103 2HG2 VAL 103 2.553 2.534 6.627 754 HG23 VAL 103 3HG2 VAL 103 3.160 0.980 6.055 755 H ALA 104 H ALA 104 0.850 -2.201 8.516 756 HA ALA 104 HA ALA 104 -1.905 -2.665 8.135 757 HB1 ALA 104 1HB ALA 104 -0.956 -4.492 9.086 758 HB2 ALA 104 2HB ALA 104 0.147 -3.541 10.082 759 HB3 ALA 104 3HB ALA 104 -1.543 -3.715 10.557 760 H VAL 105 H VAL 105 -3.648 -1.652 8.893 761 HA VAL 105 HA VAL 105 -3.413 0.015 11.294 762 HB VAL 105 HB VAL 105 -3.179 1.471 9.278 763 HG11 VAL 105 1HG1 VAL 105 -4.515 0.405 7.655 764 HG12 VAL 105 2HG1 VAL 105 -5.928 0.390 8.713 765 HG13 VAL 105 3HG1 VAL 105 -5.348 1.912 8.035 766 HG21 VAL 105 1HG2 VAL 105 -4.180 3.140 10.393 767 HG22 VAL 105 2HG2 VAL 105 -5.757 2.352 10.352 768 HG23 VAL 105 3HG2 VAL 105 -4.578 1.900 11.583 769 H ARG 106 H ARG 106 -5.227 0.094 12.562 770 HA ARG 106 HA ARG 106 -7.337 -1.804 11.865 771 HB2 ARG 106 1HB ARG 106 -6.137 -1.940 14.070 772 HB3 ARG 106 2HB ARG 106 -6.877 -0.404 14.501 773 HG2 ARG 106 1HG ARG 106 -9.100 -1.656 13.919 774 HG3 ARG 106 2HG ARG 106 -8.118 -3.093 14.212 775 HD2 ARG 106 1HD ARG 106 -9.200 -2.507 16.261 776 HD3 ARG 106 2HD ARG 106 -7.487 -2.124 16.420 777 HE ARG 106 HE ARG 106 -9.214 0.057 15.593 778 HH11 ARG 106 2HH1 ARG 106 -7.573 -1.569 18.197 779 HH12 ARG 106 1HH1 ARG 106 -7.618 -0.198 19.255 780 HH21 ARG 106 2HH2 ARG 106 -9.280 1.869 16.977 781 HH22 ARG 106 1HH2 ARG 106 -8.590 1.757 18.560 782 H THR 107 H THR 107 -9.346 -1.206 11.350 783 HA THR 107 HA THR 107 -9.968 1.524 10.883 784 HB THR 107 HB THR 107 -12.304 0.631 10.438 785 HG1 THR 107 1HG THR 107 -12.428 -1.676 10.317 786 HG21 THR 107 1HG2 THR 107 -11.645 0.298 8.323 787 HG22 THR 107 2HG2 THR 107 -10.650 -1.089 8.766 788 HG23 THR 107 3HG2 THR 107 -10.003 0.544 8.916 789 H LEU 108 H LEU 108 -12.300 2.261 11.657 790 HA LEU 108 HA LEU 108 -12.079 2.568 14.511 791 HB2 LEU 108 1HB LEU 108 -14.290 3.543 12.715 792 HB3 LEU 108 2HB LEU 108 -13.864 4.145 14.316 793 HG LEU 108 HG LEU 108 -12.162 4.427 11.840 794 HD11 LEU 108 1HD1 LEU 108 -13.363 6.763 13.196 795 HD12 LEU 108 2HD1 LEU 108 -14.445 5.752 12.239 796 HD13 LEU 108 3HD1 LEU 108 -13.029 6.486 11.486 797 HD21 LEU 108 1HD2 LEU 108 -11.656 6.158 14.133 798 HD22 LEU 108 2HD2 LEU 108 -10.529 5.252 13.123 799 HD23 LEU 108 3HD2 LEU 108 -11.356 4.450 14.460 800 H SER 109 H SER 109 -13.729 2.075 16.037 801 HA SER 109 HA SER 109 -15.311 -0.284 15.273 802 HB2 SER 109 1HB SER 109 -13.893 -0.931 17.024 803 HB3 SER 109 2HB SER 109 -14.085 0.603 17.872 804 HG SER 109 HG SER 109 -15.735 -0.208 18.872 805 H ASP 110 H ASP 110 -17.459 -0.181 15.264 806 HA ASP 110 HA ASP 110 -18.822 2.259 15.708 807 HB2 ASP 110 1HB ASP 110 -20.883 0.894 15.357 808 HB3 ASP 110 2HB ASP 110 -19.678 0.689 14.089 809 H SER 111 H SER 111 -19.069 -0.852 17.440 810 HA SER 111 HA SER 111 -20.750 -0.187 19.465 811 HB2 SER 111 1HB SER 111 -18.238 -1.865 19.647 812 HB3 SER 111 2HB SER 111 -19.490 -1.820 20.888 813 HG SER 111 HG SER 111 -19.572 -2.902 18.305 814 H GLY 112 H GLY 112 -20.491 0.550 21.639 815 HA2 GLY 112 1HA GLY 112 -18.868 1.466 23.297 816 HA3 GLY 112 2HA GLY 112 -18.198 2.389 21.960 817 HA PRO 113 HA PRO 113 -22.554 4.243 23.077 818 HB2 PRO 113 1HB PRO 113 -23.441 3.633 25.569 819 HB3 PRO 113 2HB PRO 113 -23.854 2.676 24.142 820 HG2 PRO 113 1HG PRO 113 -21.766 2.166 26.225 821 HG3 PRO 113 2HG PRO 113 -22.897 1.027 25.473 822 HD2 PRO 113 1HD PRO 113 -20.308 1.226 24.707 823 HD3 PRO 113 2HD PRO 113 -21.608 0.803 23.575 824 H SER 114 H SER 114 -20.580 3.651 25.994 825 HA SER 114 HA SER 114 -20.878 6.034 27.291 826 HB2 SER 114 1HB SER 114 -18.451 4.262 27.028 827 HB3 SER 114 2HB SER 114 -18.468 5.678 28.080 828 HG SER 114 HG SER 114 -20.338 3.546 28.213 829 H SER 115 H SER 115 -18.280 5.338 24.945 830 HA SER 115 HA SER 115 -18.224 8.212 24.304 831 HB2 SER 115 1HB SER 115 -15.763 7.991 23.963 832 HB3 SER 115 2HB SER 115 -16.255 7.720 25.635 833 HG SER 115 HG SER 115 -15.116 5.989 23.829 834 H GLY 116 H GLY 116 -18.937 8.461 22.296 835 HA2 GLY 116 1HA GLY 116 -17.825 7.824 19.974 836 HA3 GLY 116 2HA GLY 116 -18.620 6.304 20.356 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -2.684 -5.995 16.485 2 HA2 GLY 1 1HA GLY 1 -4.158 -7.630 17.400 3 HA3 GLY 1 2HA GLY 1 -3.953 -8.587 15.941 4 H SER 2 H SER 2 -2.733 -10.334 16.139 5 HA SER 2 HA SER 2 -0.666 -10.362 18.240 6 HB2 SER 2 1HB SER 2 -2.755 -12.368 17.527 7 HB3 SER 2 2HB SER 2 -1.183 -12.970 18.054 8 HG SER 2 HG SER 2 -3.145 -12.116 19.568 9 H SER 3 H SER 3 1.138 -11.839 17.838 10 HA SER 3 HA SER 3 2.538 -11.384 15.579 11 HB2 SER 3 1HB SER 3 2.555 -13.633 17.531 12 HB3 SER 3 2HB SER 3 3.486 -13.839 16.047 13 HG SER 3 HG SER 3 4.294 -12.618 18.157 14 H GLY 4 H GLY 4 2.985 -12.518 13.630 15 HA2 GLY 4 1HA GLY 4 2.225 -14.678 12.424 16 HA3 GLY 4 2HA GLY 4 0.632 -13.962 12.617 17 H SER 5 H SER 5 3.585 -13.934 10.840 18 HA SER 5 HA SER 5 2.345 -12.374 8.750 19 HB2 SER 5 1HB SER 5 4.933 -11.382 9.966 20 HB3 SER 5 2HB SER 5 4.036 -10.647 8.637 21 HG SER 5 HG SER 5 2.269 -10.695 10.422 22 H SER 6 H SER 6 4.125 -12.013 6.943 23 HA SER 6 HA SER 6 6.114 -14.096 6.806 24 HB2 SER 6 1HB SER 6 3.747 -14.181 4.919 25 HB3 SER 6 2HB SER 6 5.173 -15.216 4.835 26 HG SER 6 HG SER 6 3.622 -16.355 5.921 27 H GLY 7 H GLY 7 6.965 -14.146 4.382 28 HA2 GLY 7 1HA GLY 7 6.716 -11.783 2.837 29 HA3 GLY 7 2HA GLY 7 8.129 -11.671 3.874 30 H ARG 8 H ARG 8 7.799 -11.896 0.904 31 HA ARG 8 HA ARG 8 9.699 -14.105 0.545 32 HB2 ARG 8 1HB ARG 8 7.285 -13.535 -1.180 33 HB3 ARG 8 2HB ARG 8 8.593 -14.612 -1.649 34 HG2 ARG 8 1HG ARG 8 7.118 -16.125 -0.807 35 HG3 ARG 8 2HG ARG 8 8.033 -15.752 0.655 36 HD2 ARG 8 1HD ARG 8 6.244 -13.918 1.017 37 HD3 ARG 8 2HD ARG 8 5.295 -14.844 -0.145 38 HE ARG 8 HE ARG 8 5.764 -15.503 2.581 39 HH11 ARG 8 2HH1 ARG 8 5.311 -16.892 -0.579 40 HH12 ARG 8 1HH1 ARG 8 4.680 -18.389 0.026 41 HH21 ARG 8 2HH2 ARG 8 4.935 -17.469 3.390 42 HH22 ARG 8 1HH2 ARG 8 4.466 -18.715 2.283 43 H VAL 9 H VAL 9 11.030 -13.902 -1.382 44 HA VAL 9 HA VAL 9 11.487 -11.079 -2.060 45 HB VAL 9 HB VAL 9 13.751 -11.774 -2.735 46 HG11 VAL 9 1HG1 VAL 9 14.450 -11.434 -0.646 47 HG12 VAL 9 2HG1 VAL 9 12.753 -11.508 -0.168 48 HG13 VAL 9 3HG1 VAL 9 13.757 -12.956 -0.087 49 HG21 VAL 9 1HG2 VAL 9 13.544 -14.412 -1.453 50 HG22 VAL 9 2HG2 VAL 9 12.723 -14.266 -3.007 51 HG23 VAL 9 3HG2 VAL 9 14.447 -13.911 -2.884 52 H GLU 10 H GLU 10 12.186 -10.577 -4.257 53 HA GLU 10 HA GLU 10 11.179 -12.473 -6.269 54 HB2 GLU 10 1HB GLU 10 9.695 -10.377 -5.628 55 HB3 GLU 10 2HB GLU 10 10.809 -9.543 -6.702 56 HG2 GLU 10 1HG GLU 10 8.931 -10.171 -7.992 57 HG3 GLU 10 2HG GLU 10 10.256 -11.239 -8.454 58 H THR 11 H THR 11 12.404 -12.696 -8.062 59 HA THR 11 HA THR 11 15.042 -11.584 -8.049 60 HB THR 11 HB THR 11 15.287 -12.803 -10.237 61 HG1 THR 11 1HG THR 11 13.594 -13.933 -11.030 62 HG21 THR 11 1HG2 THR 11 14.160 -14.837 -8.425 63 HG22 THR 11 2HG2 THR 11 15.359 -13.762 -7.706 64 HG23 THR 11 3HG2 THR 11 15.770 -14.715 -9.132 65 H GLN 12 H GLN 12 15.930 -10.048 -9.363 66 HA GLN 12 HA GLN 12 14.701 -8.986 -11.671 67 HB2 GLN 12 1HB GLN 12 14.117 -6.747 -10.805 68 HB3 GLN 12 2HB GLN 12 13.110 -8.015 -10.120 69 HG2 GLN 12 1HG GLN 12 14.376 -7.971 -8.068 70 HG3 GLN 12 2HG GLN 12 15.493 -6.791 -8.751 71 HE21 GLN 12 1HE2 GLN 12 12.007 -7.230 -8.248 72 HE22 GLN 12 2HE2 GLN 12 11.701 -5.604 -7.751 73 HA PRO 13 HA PRO 13 18.819 -7.555 -12.212 74 HB2 PRO 13 1HB PRO 13 18.413 -5.642 -14.094 75 HB3 PRO 13 2HB PRO 13 18.315 -7.371 -14.445 76 HG2 PRO 13 1HG PRO 13 16.109 -5.417 -13.920 77 HG3 PRO 13 2HG PRO 13 16.203 -6.695 -15.146 78 HD2 PRO 13 1HD PRO 13 14.810 -6.986 -12.843 79 HD3 PRO 13 2HD PRO 13 15.614 -8.347 -13.651 80 H GLU 14 H GLU 14 19.945 -5.257 -12.583 81 HA GLU 14 HA GLU 14 18.985 -3.530 -10.398 82 HB2 GLU 14 1HB GLU 14 21.730 -4.320 -11.292 83 HB3 GLU 14 2HB GLU 14 21.498 -2.769 -10.497 84 HG2 GLU 14 1HG GLU 14 20.711 -3.798 -8.517 85 HG3 GLU 14 2HG GLU 14 20.574 -5.367 -9.308 86 H VAL 15 H VAL 15 17.783 -3.051 -12.742 87 HA VAL 15 HA VAL 15 19.229 -1.055 -14.260 88 HB VAL 15 HB VAL 15 17.179 -0.852 -15.588 89 HG11 VAL 15 1HG1 VAL 15 18.708 -2.553 -16.268 90 HG12 VAL 15 2HG1 VAL 15 18.107 -3.664 -15.036 91 HG13 VAL 15 3HG1 VAL 15 17.080 -3.217 -16.398 92 HG21 VAL 15 1HG2 VAL 15 15.182 -1.380 -14.775 93 HG22 VAL 15 2HG2 VAL 15 15.689 -3.052 -14.530 94 HG23 VAL 15 3HG2 VAL 15 15.950 -1.856 -13.260 95 H GLN 16 H GLN 16 17.496 0.880 -14.852 96 HA GLN 16 HA GLN 16 17.423 2.428 -12.420 97 HB2 GLN 16 1HB GLN 16 16.723 3.075 -15.283 98 HB3 GLN 16 2HB GLN 16 16.562 4.233 -13.969 99 HG2 GLN 16 1HG GLN 16 19.025 3.090 -15.194 100 HG3 GLN 16 2HG GLN 16 18.617 4.769 -14.847 101 HE21 GLN 16 1HE2 GLN 16 20.887 2.854 -14.120 102 HE22 GLN 16 2HE2 GLN 16 21.082 3.086 -12.419 103 H LEU 17 H LEU 17 15.816 1.822 -11.068 104 HA LEU 17 HA LEU 17 13.073 1.892 -12.141 105 HB2 LEU 17 1HB LEU 17 14.413 -0.013 -10.319 106 HB3 LEU 17 2HB LEU 17 12.756 0.432 -9.914 107 HG LEU 17 HG LEU 17 11.878 -0.624 -11.764 108 HD11 LEU 17 1HD1 LEU 17 12.920 0.293 -13.598 109 HD12 LEU 17 2HD1 LEU 17 13.507 -1.369 -13.659 110 HD13 LEU 17 3HD1 LEU 17 14.538 -0.094 -13.009 111 HD21 LEU 17 1HD2 LEU 17 14.377 -2.229 -11.239 112 HD22 LEU 17 2HD2 LEU 17 12.850 -2.828 -11.888 113 HD23 LEU 17 3HD2 LEU 17 12.934 -2.245 -10.225 114 HA PRO 18 HA PRO 18 12.078 5.024 -9.234 115 HB2 PRO 18 1HB PRO 18 9.525 4.380 -8.571 116 HB3 PRO 18 2HB PRO 18 9.969 5.051 -10.145 117 HG2 PRO 18 1HG PRO 18 9.458 2.204 -9.376 118 HG3 PRO 18 2HG PRO 18 8.929 3.085 -10.822 119 HD2 PRO 18 1HD PRO 18 11.046 1.396 -10.838 120 HD3 PRO 18 2HD PRO 18 10.966 2.838 -11.871 121 H GLY 19 H GLY 19 11.650 5.479 -7.006 122 HA2 GLY 19 1HA GLY 19 12.357 3.227 -5.263 123 HA3 GLY 19 2HA GLY 19 12.521 4.930 -4.862 124 HA PRO 20 HA PRO 20 8.655 3.097 -2.913 125 HB2 PRO 20 1HB PRO 20 9.368 3.566 -0.336 126 HB3 PRO 20 2HB PRO 20 9.777 2.073 -1.189 127 HG2 PRO 20 1HG PRO 20 11.469 4.490 -0.682 128 HG3 PRO 20 2HG PRO 20 11.902 2.775 -0.557 129 HD2 PRO 20 1HD PRO 20 12.569 4.294 -2.697 130 HD3 PRO 20 2HD PRO 20 12.215 2.559 -2.830 131 H ALA 21 H ALA 21 6.946 4.389 -2.570 132 HA ALA 21 HA ALA 21 7.170 7.197 -2.752 133 HB1 ALA 21 1HB ALA 21 4.665 6.919 -1.857 134 HB2 ALA 21 2HB ALA 21 5.134 6.577 -3.523 135 HB3 ALA 21 3HB ALA 21 4.973 5.258 -2.364 136 HA PRO 22 HA PRO 22 8.192 7.836 1.570 137 HB2 PRO 22 1HB PRO 22 8.641 10.501 1.315 138 HB3 PRO 22 2HB PRO 22 9.822 9.278 0.833 139 HG2 PRO 22 1HG PRO 22 7.886 10.811 -0.859 140 HG3 PRO 22 2HG PRO 22 9.588 10.428 -1.174 141 HD2 PRO 22 1HD PRO 22 7.551 9.040 -2.295 142 HD3 PRO 22 2HD PRO 22 9.106 8.289 -1.884 143 H ASN 23 H ASN 23 7.495 9.704 3.137 144 HA ASN 23 HA ASN 23 5.732 10.428 4.402 145 HB2 ASN 23 1HB ASN 23 4.859 11.565 1.736 146 HB3 ASN 23 2HB ASN 23 4.381 12.150 3.327 147 HD21 ASN 23 1HD2 ASN 23 6.564 12.358 4.750 148 HD22 ASN 23 2HD2 ASN 23 7.730 13.397 4.012 149 H LEU 24 H LEU 24 5.356 7.798 3.651 150 HA LEU 24 HA LEU 24 2.714 7.446 2.559 151 HB2 LEU 24 1HB LEU 24 4.489 5.802 2.178 152 HB3 LEU 24 2HB LEU 24 4.556 5.477 3.909 153 HG LEU 24 HG LEU 24 2.219 4.634 3.781 154 HD11 LEU 24 1HD1 LEU 24 2.645 5.182 0.860 155 HD12 LEU 24 2HD1 LEU 24 1.314 5.698 1.895 156 HD13 LEU 24 3HD1 LEU 24 1.467 4.002 1.435 157 HD21 LEU 24 1HD2 LEU 24 4.226 3.279 1.982 158 HD22 LEU 24 2HD2 LEU 24 2.799 2.518 2.686 159 HD23 LEU 24 3HD2 LEU 24 4.099 3.093 3.731 160 H ARG 25 H ARG 25 1.138 8.276 3.826 161 HA ARG 25 HA ARG 25 1.083 7.465 6.655 162 HB2 ARG 25 1HB ARG 25 -0.650 9.626 5.500 163 HB3 ARG 25 2HB ARG 25 -0.123 9.402 7.163 164 HG2 ARG 25 1HG ARG 25 1.920 9.957 5.071 165 HG3 ARG 25 2HG ARG 25 0.910 11.278 5.662 166 HD2 ARG 25 1HD ARG 25 2.606 9.456 7.366 167 HD3 ARG 25 2HD ARG 25 3.016 11.108 6.906 168 HE ARG 25 HE ARG 25 0.490 10.895 8.251 169 HH11 ARG 25 2HH1 ARG 25 3.934 11.173 8.679 170 HH12 ARG 25 1HH1 ARG 25 3.812 11.882 10.255 171 HH21 ARG 25 2HH2 ARG 25 0.317 11.828 10.325 172 HH22 ARG 25 1HH2 ARG 25 1.754 12.253 11.191 173 H ALA 26 H ALA 26 -0.864 6.697 7.563 174 HA ALA 26 HA ALA 26 -3.065 6.066 5.761 175 HB1 ALA 26 1HB ALA 26 -2.936 3.657 6.852 176 HB2 ALA 26 2HB ALA 26 -2.062 4.057 5.373 177 HB3 ALA 26 3HB ALA 26 -1.218 4.051 6.922 178 H TYR 27 H TYR 27 -4.967 6.292 6.756 179 HA TYR 27 HA TYR 27 -5.227 5.789 9.604 180 HB2 TYR 27 1HB TYR 27 -6.385 8.075 9.853 181 HB3 TYR 27 2HB TYR 27 -4.626 8.048 9.820 182 HD1 TYR 27 1HD TYR 27 -7.647 8.821 7.840 183 HD2 TYR 27 2HD TYR 27 -3.411 9.137 8.085 184 HE1 TYR 27 1HE TYR 27 -7.665 10.429 5.979 185 HE2 TYR 27 2HE TYR 27 -3.418 10.746 6.226 186 HH TYR 27 HH TYR 27 -6.077 11.234 4.227 187 H ALA 28 H ALA 28 -7.251 5.161 10.180 188 HA ALA 28 HA ALA 28 -9.089 4.524 8.072 189 HB1 ALA 28 1HB ALA 28 -8.537 3.429 10.511 190 HB2 ALA 28 2HB ALA 28 -10.078 4.235 10.809 191 HB3 ALA 28 3HB ALA 28 -9.942 3.043 9.517 192 H ALA 29 H ALA 29 -10.145 6.211 7.187 193 HA ALA 29 HA ALA 29 -10.992 8.506 8.627 194 HB1 ALA 29 1HB ALA 29 -12.058 9.196 6.597 195 HB2 ALA 29 2HB ALA 29 -10.513 8.451 6.184 196 HB3 ALA 29 3HB ALA 29 -12.013 7.552 5.958 197 H SER 30 H SER 30 -12.440 5.419 7.949 198 HA SER 30 HA SER 30 -14.680 6.095 9.676 199 HB2 SER 30 1HB SER 30 -16.376 5.832 8.158 200 HB3 SER 30 2HB SER 30 -15.140 6.451 7.063 201 HG SER 30 HG SER 30 -16.396 4.314 6.659 202 HA PRO 31 HA PRO 31 -14.262 1.950 11.051 203 HB2 PRO 31 1HB PRO 31 -16.825 1.296 11.660 204 HB3 PRO 31 2HB PRO 31 -15.865 2.422 12.628 205 HG2 PRO 31 1HG PRO 31 -17.933 3.003 10.542 206 HG3 PRO 31 2HG PRO 31 -17.686 3.776 12.119 207 HD2 PRO 31 1HD PRO 31 -16.833 4.888 9.802 208 HD3 PRO 31 2HD PRO 31 -15.973 5.106 11.340 209 H THR 32 H THR 32 -15.667 2.668 8.144 210 HA THR 32 HA THR 32 -15.923 -0.184 7.461 211 HB THR 32 HB THR 32 -17.729 0.379 5.874 212 HG1 THR 32 1HG THR 32 -17.300 2.591 5.575 213 HG21 THR 32 1HG2 THR 32 -18.091 0.950 8.797 214 HG22 THR 32 2HG2 THR 32 -18.562 -0.479 7.877 215 HG23 THR 32 3HG2 THR 32 -19.456 1.029 7.685 216 H SER 33 H SER 33 -14.380 2.709 6.903 217 HA SER 33 HA SER 33 -13.388 1.747 4.311 218 HB2 SER 33 1HB SER 33 -15.079 3.799 4.323 219 HB3 SER 33 2HB SER 33 -13.614 4.694 4.727 220 HG SER 33 HG SER 33 -12.790 4.261 2.796 221 H ILE 34 H ILE 34 -11.377 3.197 3.702 222 HA ILE 34 HA ILE 34 -9.800 4.025 5.978 223 HB ILE 34 HB ILE 34 -9.038 1.589 4.371 224 HG12 ILE 34 1HG1 ILE 34 -9.396 2.056 7.340 225 HG13 ILE 34 2HG1 ILE 34 -10.490 1.157 6.294 226 HG21 ILE 34 1HG2 ILE 34 -6.885 1.635 5.445 227 HG22 ILE 34 2HG2 ILE 34 -7.140 3.163 4.604 228 HG23 ILE 34 3HG2 ILE 34 -7.328 3.079 6.355 229 HD11 ILE 34 1HD1 ILE 34 -8.816 -0.534 5.931 230 HD12 ILE 34 2HD1 ILE 34 -7.636 0.393 6.857 231 HD13 ILE 34 3HD1 ILE 34 -9.049 -0.289 7.662 232 H THR 35 H THR 35 -8.722 5.769 5.365 233 HA THR 35 HA THR 35 -8.210 6.198 2.512 234 HB THR 35 HB THR 35 -8.148 8.132 4.835 235 HG1 THR 35 1HG THR 35 -10.108 8.715 4.152 236 HG21 THR 35 1HG2 THR 35 -8.181 9.262 2.151 237 HG22 THR 35 2HG2 THR 35 -6.712 8.345 2.486 238 HG23 THR 35 3HG2 THR 35 -7.179 9.680 3.540 239 H VAL 36 H VAL 36 -6.213 6.252 1.670 240 HA VAL 36 HA VAL 36 -3.924 6.240 3.528 241 HB VAL 36 HB VAL 36 -3.995 4.710 0.930 242 HG11 VAL 36 1HG1 VAL 36 -1.777 5.299 1.720 243 HG12 VAL 36 2HG1 VAL 36 -2.138 4.616 3.306 244 HG13 VAL 36 3HG1 VAL 36 -2.045 3.565 1.893 245 HG21 VAL 36 1HG2 VAL 36 -5.144 4.033 3.520 246 HG22 VAL 36 2HG2 VAL 36 -5.373 3.271 1.946 247 HG23 VAL 36 3HG2 VAL 36 -3.986 2.835 2.943 248 H THR 37 H THR 37 -2.347 7.657 3.101 249 HA THR 37 HA THR 37 -2.342 8.978 0.465 250 HB THR 37 HB THR 37 -1.968 11.089 1.404 251 HG1 THR 37 1HG THR 37 -0.397 10.458 2.956 252 HG21 THR 37 1HG2 THR 37 -4.261 9.846 1.954 253 HG22 THR 37 2HG2 THR 37 -3.932 11.492 2.495 254 HG23 THR 37 3HG2 THR 37 -3.719 10.139 3.605 255 H TRP 38 H TRP 38 -0.348 9.528 -0.407 256 HA TRP 38 HA TRP 38 2.076 8.940 1.079 257 HB2 TRP 38 1HB TRP 38 2.936 7.422 -0.700 258 HB3 TRP 38 2HB TRP 38 1.566 6.753 0.183 259 HD1 TRP 38 HD TRP 38 2.408 8.336 -3.232 260 HE1 TRP 38 1HE TRP 38 0.652 7.544 -4.939 261 HE3 TRP 38 3HE TRP 38 -0.723 5.819 -0.069 262 HZ2 TRP 38 2HZ TRP 38 -1.743 6.050 -4.945 263 HZ3 TRP 38 3HZ TRP 38 -2.725 4.737 -1.006 264 HH2 TRP 38 HH TRP 38 -3.222 4.852 -3.393 265 H GLU 39 H GLU 39 4.040 9.295 -0.466 266 HA GLU 39 HA GLU 39 3.441 11.588 -2.217 267 HB2 GLU 39 1HB GLU 39 5.553 11.263 -0.114 268 HB3 GLU 39 2HB GLU 39 5.836 12.324 -1.487 269 HG2 GLU 39 1HG GLU 39 3.349 12.604 0.142 270 HG3 GLU 39 2HG GLU 39 4.869 13.296 0.704 271 H THR 40 H THR 40 5.225 12.044 -3.792 272 HA THR 40 HA THR 40 5.966 9.565 -5.096 273 HB THR 40 HB THR 40 6.276 12.448 -5.947 274 HG1 THR 40 1HG THR 40 4.706 11.553 -7.574 275 HG21 THR 40 1HG2 THR 40 7.085 11.703 -8.049 276 HG22 THR 40 2HG2 THR 40 6.761 10.014 -7.655 277 HG23 THR 40 3HG2 THR 40 8.058 10.880 -6.830 278 HA PRO 41 HA PRO 41 10.089 9.487 -3.509 279 HB2 PRO 41 1HB PRO 41 11.137 7.737 -5.301 280 HB3 PRO 41 2HB PRO 41 10.059 7.241 -3.991 281 HG2 PRO 41 1HG PRO 41 9.433 7.735 -6.877 282 HG3 PRO 41 2HG PRO 41 8.879 6.422 -5.821 283 HD2 PRO 41 1HD PRO 41 7.338 8.570 -6.406 284 HD3 PRO 41 2HD PRO 41 7.246 7.725 -4.847 285 H VAL 42 H VAL 42 11.482 11.106 -3.780 286 HA VAL 42 HA VAL 42 11.799 12.539 -6.200 287 HB VAL 42 HB VAL 42 13.573 13.756 -5.085 288 HG11 VAL 42 1HG1 VAL 42 12.353 14.542 -3.116 289 HG12 VAL 42 2HG1 VAL 42 11.271 14.307 -4.490 290 HG13 VAL 42 3HG1 VAL 42 11.316 13.118 -3.187 291 HG21 VAL 42 1HG2 VAL 42 14.687 11.811 -4.059 292 HG22 VAL 42 2HG2 VAL 42 14.424 13.119 -2.907 293 HG23 VAL 42 3HG2 VAL 42 13.377 11.701 -2.884 294 H SER 43 H SER 43 13.317 9.719 -4.924 295 HA SER 43 HA SER 43 15.589 9.918 -6.740 296 HB2 SER 43 1HB SER 43 14.876 8.190 -4.415 297 HB3 SER 43 2HB SER 43 15.973 7.528 -5.627 298 HG SER 43 HG SER 43 16.347 9.622 -3.834 299 H GLY 44 H GLY 44 15.791 8.816 -8.603 300 HA2 GLY 44 1HA GLY 44 15.109 6.494 -9.554 301 HA3 GLY 44 2HA GLY 44 13.496 7.181 -9.432 302 H ASN 45 H ASN 45 13.562 6.667 -11.790 303 HA ASN 45 HA ASN 45 14.502 9.030 -13.247 304 HB2 ASN 45 1HB ASN 45 15.138 6.164 -13.863 305 HB3 ASN 45 2HB ASN 45 15.008 7.334 -15.173 306 HD21 ASN 45 1HD2 ASN 45 16.864 8.161 -15.764 307 HD22 ASN 45 2HD2 ASN 45 18.233 8.438 -14.747 308 H GLY 46 H GLY 46 13.347 9.463 -15.209 309 HA2 GLY 46 1HA GLY 46 11.431 9.646 -16.458 310 HA3 GLY 46 2HA GLY 46 11.230 7.919 -16.201 311 H GLU 47 H GLU 47 9.081 9.707 -16.370 312 HA GLU 47 HA GLU 47 8.179 10.284 -13.683 313 HB2 GLU 47 1HB GLU 47 7.685 11.579 -15.921 314 HB3 GLU 47 2HB GLU 47 6.381 10.409 -16.070 315 HG2 GLU 47 1HG GLU 47 5.634 11.107 -13.776 316 HG3 GLU 47 2HG GLU 47 6.806 12.419 -13.878 317 H ILE 48 H ILE 48 6.821 9.097 -12.473 318 HA ILE 48 HA ILE 48 6.464 6.399 -12.825 319 HB ILE 48 HB ILE 48 4.639 8.294 -11.342 320 HG12 ILE 48 1HG1 ILE 48 6.965 8.361 -10.570 321 HG13 ILE 48 2HG1 ILE 48 5.930 7.600 -9.367 322 HG21 ILE 48 1HG2 ILE 48 3.903 6.336 -10.084 323 HG22 ILE 48 2HG2 ILE 48 3.533 6.167 -11.800 324 HG23 ILE 48 3HG2 ILE 48 4.901 5.300 -11.104 325 HD11 ILE 48 1HD1 ILE 48 8.004 6.399 -9.548 326 HD12 ILE 48 2HD1 ILE 48 6.688 5.396 -10.160 327 HD13 ILE 48 3HD1 ILE 48 7.778 6.205 -11.286 328 H GLN 49 H GLN 49 5.169 5.125 -13.994 329 HA GLN 49 HA GLN 49 3.417 6.298 -15.941 330 HB2 GLN 49 1HB GLN 49 4.226 3.481 -15.274 331 HB3 GLN 49 2HB GLN 49 2.945 3.807 -16.433 332 HG2 GLN 49 1HG GLN 49 5.760 4.851 -16.640 333 HG3 GLN 49 2HG GLN 49 5.140 3.433 -17.483 334 HE21 GLN 49 1HE2 GLN 49 6.001 4.865 -19.276 335 HE22 GLN 49 2HE2 GLN 49 4.864 5.938 -20.012 336 H ASN 50 H ASN 50 3.004 4.249 -13.076 337 HA ASN 50 HA ASN 50 0.374 5.319 -12.626 338 HB2 ASN 50 1HB ASN 50 0.125 3.418 -14.349 339 HB3 ASN 50 2HB ASN 50 0.514 2.336 -13.015 340 HD21 ASN 50 1HD2 ASN 50 -1.773 1.770 -13.977 341 HD22 ASN 50 2HD2 ASN 50 -3.094 2.416 -13.069 342 H TYR 51 H TYR 51 -0.612 4.392 -10.627 343 HA TYR 51 HA TYR 51 1.486 3.484 -8.767 344 HB2 TYR 51 1HB TYR 51 -0.814 5.386 -8.303 345 HB3 TYR 51 2HB TYR 51 0.130 4.679 -6.997 346 HD1 TYR 51 1HD TYR 51 2.758 4.988 -7.274 347 HD2 TYR 51 2HD TYR 51 -0.189 7.463 -9.089 348 HE1 TYR 51 1HE TYR 51 4.415 6.792 -7.491 349 HE2 TYR 51 2HE TYR 51 1.461 9.274 -9.312 350 HH TYR 51 HH TYR 51 3.659 9.925 -8.052 351 H LYS 52 H LYS 52 1.152 1.565 -7.880 352 HA LYS 52 HA LYS 52 -1.550 0.418 -7.976 353 HB2 LYS 52 1HB LYS 52 0.661 -0.675 -8.962 354 HB3 LYS 52 2HB LYS 52 0.844 -1.229 -7.303 355 HG2 LYS 52 1HG LYS 52 -0.989 -2.600 -7.411 356 HG3 LYS 52 2HG LYS 52 -1.763 -1.646 -8.679 357 HD2 LYS 52 1HD LYS 52 -1.090 -3.436 -9.923 358 HD3 LYS 52 2HD LYS 52 0.362 -2.441 -10.054 359 HE2 LYS 52 1HE LYS 52 0.003 -4.508 -7.898 360 HE3 LYS 52 2HE LYS 52 0.694 -4.895 -9.473 361 HZ1 LYS 52 1HZ LYS 52 1.857 -2.600 -8.143 362 HZ2 LYS 52 2HZ LYS 52 2.608 -3.862 -8.981 363 HZ3 LYS 52 3HZ LYS 52 2.127 -4.083 -7.374 364 H LEU 53 H LEU 53 -2.677 0.277 -6.159 365 HA LEU 53 HA LEU 53 -1.232 0.400 -3.597 366 HB2 LEU 53 1HB LEU 53 -2.614 2.279 -3.716 367 HB3 LEU 53 2HB LEU 53 -3.935 1.372 -4.448 368 HG LEU 53 HG LEU 53 -4.258 0.214 -2.260 369 HD11 LEU 53 1HD1 LEU 53 -1.819 0.951 -1.585 370 HD12 LEU 53 2HD1 LEU 53 -3.083 0.735 -0.374 371 HD13 LEU 53 3HD1 LEU 53 -2.672 2.354 -0.940 372 HD21 LEU 53 1HD2 LEU 53 -4.980 2.500 -1.109 373 HD22 LEU 53 2HD2 LEU 53 -5.848 1.821 -2.485 374 HD23 LEU 53 3HD2 LEU 53 -4.671 3.111 -2.735 375 H TYR 54 H TYR 54 -1.373 -1.260 -2.224 376 HA TYR 54 HA TYR 54 -3.172 -3.470 -2.930 377 HB2 TYR 54 1HB TYR 54 -0.587 -3.331 -1.398 378 HB3 TYR 54 2HB TYR 54 -1.650 -4.727 -1.262 379 HD1 TYR 54 2HD TYR 54 -0.143 -2.606 -3.952 380 HD2 TYR 54 1HD TYR 54 -1.194 -6.515 -2.640 381 HE1 TYR 54 2HE TYR 54 0.850 -3.552 -5.994 382 HE2 TYR 54 1HE TYR 54 -0.203 -7.472 -4.678 383 HH TYR 54 HH TYR 54 1.854 -5.820 -6.671 384 H TYR 55 H TYR 55 -4.224 -4.654 -1.196 385 HA TYR 55 HA TYR 55 -4.453 -3.477 1.409 386 HB2 TYR 55 1HB TYR 55 -6.718 -2.745 1.318 387 HB3 TYR 55 2HB TYR 55 -5.902 -2.006 -0.055 388 HD1 TYR 55 1HD TYR 55 -6.107 -3.271 -2.322 389 HD2 TYR 55 2HD TYR 55 -8.708 -3.895 0.987 390 HE1 TYR 55 1HE TYR 55 -7.800 -4.210 -3.838 391 HE2 TYR 55 2HE TYR 55 -10.408 -4.837 -0.520 392 HH TYR 55 HH TYR 55 -10.946 -4.559 -3.090 393 H MET 56 H MET 56 -4.901 -5.038 2.824 394 HA MET 56 HA MET 56 -6.696 -7.198 2.205 395 HB2 MET 56 1HB MET 56 -5.244 -8.960 2.042 396 HB3 MET 56 2HB MET 56 -4.255 -7.707 1.305 397 HG2 MET 56 1HG MET 56 -3.285 -7.335 3.628 398 HG3 MET 56 2HG MET 56 -4.055 -8.859 4.064 399 HE1 MET 56 1HE MET 56 -1.762 -11.254 3.651 400 HE2 MET 56 2HE MET 56 -0.808 -9.931 4.323 401 HE3 MET 56 3HE MET 56 -2.512 -10.096 4.750 402 H GLU 57 H GLU 57 -7.006 -8.654 4.070 403 HA GLU 57 HA GLU 57 -6.967 -7.130 6.519 404 HB2 GLU 57 1HB GLU 57 -8.113 -9.798 5.731 405 HB3 GLU 57 2HB GLU 57 -8.096 -9.268 7.408 406 HG2 GLU 57 1HG GLU 57 -9.502 -7.424 6.935 407 HG3 GLU 57 2HG GLU 57 -9.324 -7.650 5.196 408 H LYS 58 H LYS 58 -5.896 -7.638 8.410 409 HA LYS 58 HA LYS 58 -3.355 -8.863 8.140 410 HB2 LYS 58 1HB LYS 58 -4.272 -7.036 9.823 411 HB3 LYS 58 2HB LYS 58 -4.580 -8.444 10.831 412 HG2 LYS 58 1HG LYS 58 -2.488 -7.935 11.542 413 HG3 LYS 58 2HG LYS 58 -2.072 -8.995 10.193 414 HD2 LYS 58 1HD LYS 58 -2.043 -6.834 8.789 415 HD3 LYS 58 2HD LYS 58 -1.966 -6.000 10.342 416 HE2 LYS 58 1HE LYS 58 0.267 -6.315 9.476 417 HE3 LYS 58 2HE LYS 58 0.043 -7.311 10.914 418 HZ1 LYS 58 1HZ LYS 58 1.118 -8.282 8.753 419 HZ2 LYS 58 2HZ LYS 58 -0.494 -8.507 8.293 420 HZ3 LYS 58 3HZ LYS 58 0.091 -9.228 9.708 421 H GLY 59 H GLY 59 -3.161 -10.993 7.823 422 HA2 GLY 59 1HA GLY 59 -3.011 -13.158 8.822 423 HA3 GLY 59 2HA GLY 59 -4.431 -12.776 9.784 424 H THR 60 H THR 60 -3.903 -12.474 6.288 425 HA THR 60 HA THR 60 -6.029 -14.471 5.876 426 HB THR 60 HB THR 60 -5.733 -12.187 3.967 427 HG1 THR 60 1HG THR 60 -6.314 -10.847 5.493 428 HG21 THR 60 1HG2 THR 60 -7.587 -14.361 4.475 429 HG22 THR 60 2HG2 THR 60 -7.405 -13.348 3.043 430 HG23 THR 60 3HG2 THR 60 -8.406 -12.802 4.388 431 H ASP 61 H ASP 61 -3.033 -13.055 4.821 432 HA ASP 61 HA ASP 61 -1.406 -13.779 3.405 433 HB2 ASP 61 1HB ASP 61 -2.932 -16.392 3.471 434 HB3 ASP 61 2HB ASP 61 -1.279 -16.175 2.902 435 H LYS 62 H LYS 62 -3.986 -12.654 2.426 436 HA LYS 62 HA LYS 62 -3.675 -13.476 -0.376 437 HB2 LYS 62 1HB LYS 62 -5.702 -14.553 0.565 438 HB3 LYS 62 2HB LYS 62 -6.332 -12.963 0.974 439 HG2 LYS 62 1HG LYS 62 -7.393 -13.605 -1.028 440 HG3 LYS 62 2HG LYS 62 -6.183 -12.400 -1.477 441 HD2 LYS 62 1HD LYS 62 -5.969 -14.102 -3.082 442 HD3 LYS 62 2HD LYS 62 -4.639 -14.374 -1.954 443 HE2 LYS 62 1HE LYS 62 -5.670 -16.484 -2.466 444 HE3 LYS 62 2HE LYS 62 -6.034 -16.063 -0.794 445 HZ1 LYS 62 1HZ LYS 62 -8.211 -15.908 -1.222 446 HZ2 LYS 62 2HZ LYS 62 -7.862 -16.837 -2.592 447 HZ3 LYS 62 3HZ LYS 62 -7.987 -15.155 -2.721 448 H GLU 63 H GLU 63 -2.382 -11.572 -0.576 449 HA GLU 63 HA GLU 63 -3.509 -8.990 -0.019 450 HB2 GLU 63 1HB GLU 63 -0.982 -9.811 -0.188 451 HB3 GLU 63 2HB GLU 63 -1.186 -9.299 -1.858 452 HG2 GLU 63 1HG GLU 63 -2.017 -7.091 -0.920 453 HG3 GLU 63 2HG GLU 63 -1.394 -7.644 0.634 454 H GLN 64 H GLN 64 -4.079 -7.393 -1.547 455 HA GLN 64 HA GLN 64 -4.729 -8.421 -4.228 456 HB2 GLN 64 1HB GLN 64 -6.435 -6.644 -2.477 457 HB3 GLN 64 2HB GLN 64 -6.783 -7.018 -4.159 458 HG2 GLN 64 1HG GLN 64 -6.812 -9.448 -3.483 459 HG3 GLN 64 2HG GLN 64 -6.781 -8.889 -1.812 460 HE21 GLN 64 1HE2 GLN 64 -8.630 -9.007 -4.763 461 HE22 GLN 64 2HE2 GLN 64 -10.156 -8.610 -4.057 462 H ASP 65 H ASP 65 -5.413 -6.424 -5.663 463 HA ASP 65 HA ASP 65 -3.711 -4.111 -5.120 464 HB2 ASP 65 1HB ASP 65 -2.816 -4.219 -7.465 465 HB3 ASP 65 2HB ASP 65 -2.235 -5.499 -6.403 466 H VAL 66 H VAL 66 -4.389 -2.214 -6.086 467 HA VAL 66 HA VAL 66 -6.802 -2.355 -7.760 468 HB VAL 66 HB VAL 66 -7.784 -0.459 -6.552 469 HG11 VAL 66 1HG1 VAL 66 -8.869 -1.905 -5.255 470 HG12 VAL 66 2HG1 VAL 66 -7.666 -3.111 -5.716 471 HG13 VAL 66 3HG1 VAL 66 -7.446 -2.162 -4.245 472 HG21 VAL 66 1HG2 VAL 66 -6.858 0.518 -4.656 473 HG22 VAL 66 2HG2 VAL 66 -5.755 -0.829 -4.379 474 HG23 VAL 66 3HG2 VAL 66 -5.462 0.291 -5.709 475 H ASP 67 H ASP 67 -7.039 -0.719 -9.270 476 HA ASP 67 HA ASP 67 -4.612 0.573 -10.084 477 HB2 ASP 67 1HB ASP 67 -5.696 1.054 -12.074 478 HB3 ASP 67 2HB ASP 67 -6.570 -0.379 -11.541 479 H VAL 68 H VAL 68 -3.906 2.475 -9.404 480 HA VAL 68 HA VAL 68 -5.837 4.575 -8.736 481 HB VAL 68 HB VAL 68 -3.518 3.833 -6.946 482 HG11 VAL 68 1HG1 VAL 68 -5.654 5.786 -6.223 483 HG12 VAL 68 2HG1 VAL 68 -3.993 5.667 -5.640 484 HG13 VAL 68 3HG1 VAL 68 -4.320 6.305 -7.252 485 HG21 VAL 68 1HG2 VAL 68 -4.922 2.353 -6.053 486 HG22 VAL 68 2HG2 VAL 68 -5.881 3.722 -5.491 487 HG23 VAL 68 3HG2 VAL 68 -6.271 2.942 -7.024 488 H SER 69 H SER 69 -5.200 6.607 -9.278 489 HA SER 69 HA SER 69 -2.439 6.967 -10.228 490 HB2 SER 69 1HB SER 69 -4.383 6.663 -12.014 491 HB3 SER 69 2HB SER 69 -4.647 8.372 -11.666 492 HG SER 69 HG SER 69 -2.017 7.636 -12.087 493 H SER 70 H SER 70 -3.139 7.715 -7.724 494 HA SER 70 HA SER 70 -2.815 10.587 -7.857 495 HB2 SER 70 1HB SER 70 -4.715 11.217 -6.623 496 HB3 SER 70 2HB SER 70 -5.340 10.043 -7.780 497 HG SER 70 HG SER 70 -4.798 8.511 -5.903 498 H HIS 71 H HIS 71 -2.490 11.503 -5.605 499 HA HIS 71 HA HIS 71 -0.746 9.680 -4.146 500 HB2 HIS 71 1HB HIS 71 -1.177 12.659 -3.838 501 HB3 HIS 71 2HB HIS 71 0.029 11.709 -2.976 502 HD1 HIS 71 1HD HIS 71 -0.454 13.650 -5.997 503 HD2 HIS 71 2HD HIS 71 2.016 10.530 -4.803 504 HE1 HIS 71 1HE HIS 71 1.435 13.615 -7.657 505 HE2 HIS 71 2HE HIS 71 2.872 11.666 -6.963 506 H SER 72 H SER 72 -3.756 9.630 -4.033 507 HA SER 72 HA SER 72 -3.995 9.100 -1.254 508 HB2 SER 72 1HB SER 72 -5.543 10.817 -0.594 509 HB3 SER 72 2HB SER 72 -4.125 11.614 -1.275 510 HG SER 72 HG SER 72 -5.922 11.094 -3.209 511 H TYR 73 H TYR 73 -5.424 7.510 -1.063 512 HA TYR 73 HA TYR 73 -7.738 7.427 -2.859 513 HB2 TYR 73 1HB TYR 73 -5.969 5.995 -3.843 514 HB3 TYR 73 2HB TYR 73 -5.925 5.057 -2.354 515 HD1 TYR 73 1HD TYR 73 -7.768 3.561 -1.770 516 HD2 TYR 73 2HD TYR 73 -7.782 5.748 -5.420 517 HE1 TYR 73 1HE TYR 73 -9.553 2.103 -2.630 518 HE2 TYR 73 2HE TYR 73 -9.569 4.297 -6.289 519 HH TYR 73 HH TYR 73 -10.459 2.037 -5.895 520 H THR 74 H THR 74 -9.526 6.273 -2.057 521 HA THR 74 HA THR 74 -9.361 5.584 0.805 522 HB THR 74 HB THR 74 -11.765 6.773 -0.590 523 HG1 THR 74 1HG THR 74 -11.109 8.573 0.943 524 HG21 THR 74 1HG2 THR 74 -12.165 7.205 2.029 525 HG22 THR 74 2HG2 THR 74 -11.237 5.708 2.121 526 HG23 THR 74 3HG2 THR 74 -12.737 5.761 1.195 527 H ILE 75 H ILE 75 -9.952 3.579 1.315 528 HA ILE 75 HA ILE 75 -11.366 1.989 -0.714 529 HB ILE 75 HB ILE 75 -9.611 1.108 1.579 530 HG12 ILE 75 1HG1 ILE 75 -9.156 0.528 -1.329 531 HG13 ILE 75 2HG1 ILE 75 -8.672 2.081 -0.657 532 HG21 ILE 75 1HG2 ILE 75 -11.363 -0.502 1.363 533 HG22 ILE 75 2HG2 ILE 75 -11.206 -0.515 -0.393 534 HG23 ILE 75 3HG2 ILE 75 -9.916 -1.175 0.612 535 HD11 ILE 75 1HD1 ILE 75 -7.658 -0.651 0.037 536 HD12 ILE 75 2HD1 ILE 75 -6.760 0.743 -0.566 537 HD13 ILE 75 3HD1 ILE 75 -7.390 0.744 1.081 538 H ASN 76 H ASN 76 -13.467 1.763 -0.358 539 HA ASN 76 HA ASN 76 -14.454 1.752 2.409 540 HB2 ASN 76 1HB ASN 76 -16.102 2.066 -0.103 541 HB3 ASN 76 2HB ASN 76 -16.586 2.422 1.553 542 HD21 ASN 76 1HD2 ASN 76 -14.192 3.338 -0.889 543 HD22 ASN 76 2HD2 ASN 76 -14.135 5.009 -0.455 544 H GLY 77 H GLY 77 -16.175 0.252 2.970 545 HA2 GLY 77 1HA GLY 77 -17.391 -1.747 2.700 546 HA3 GLY 77 2HA GLY 77 -16.450 -2.098 1.258 547 H LEU 78 H LEU 78 -15.530 -1.396 4.627 548 HA LEU 78 HA LEU 78 -14.116 -3.981 4.666 549 HB2 LEU 78 1HB LEU 78 -13.246 -1.472 6.085 550 HB3 LEU 78 2HB LEU 78 -12.369 -2.997 5.981 551 HG LEU 78 HG LEU 78 -12.931 -1.172 3.645 552 HD11 LEU 78 1HD1 LEU 78 -11.413 0.030 4.928 553 HD12 LEU 78 2HD1 LEU 78 -10.380 -0.881 3.828 554 HD13 LEU 78 3HD1 LEU 78 -10.588 -1.422 5.493 555 HD21 LEU 78 1HD2 LEU 78 -11.264 -3.666 3.942 556 HD22 LEU 78 2HD2 LEU 78 -11.196 -2.583 2.551 557 HD23 LEU 78 3HD2 LEU 78 -12.689 -3.445 2.926 558 H LYS 79 H LYS 79 -13.673 -4.757 6.928 559 HA LYS 79 HA LYS 79 -16.136 -4.769 8.399 560 HB2 LYS 79 1HB LYS 79 -13.454 -6.065 8.886 561 HB3 LYS 79 2HB LYS 79 -14.826 -6.265 9.967 562 HG2 LYS 79 1HG LYS 79 -16.101 -7.085 7.912 563 HG3 LYS 79 2HG LYS 79 -14.519 -7.210 7.139 564 HD2 LYS 79 1HD LYS 79 -14.864 -8.435 9.827 565 HD3 LYS 79 2HD LYS 79 -15.603 -9.246 8.444 566 HE2 LYS 79 1HE LYS 79 -13.545 -9.601 7.404 567 HE3 LYS 79 2HE LYS 79 -12.738 -8.367 8.370 568 HZ1 LYS 79 1HZ LYS 79 -13.361 -11.139 9.041 569 HZ2 LYS 79 2HZ LYS 79 -13.444 -10.007 10.294 570 HZ3 LYS 79 3HZ LYS 79 -12.002 -10.211 9.433 571 H LYS 80 H LYS 80 -16.057 -4.535 10.846 572 HA LYS 80 HA LYS 80 -14.827 -1.954 11.453 573 HB2 LYS 80 1HB LYS 80 -17.092 -3.530 12.623 574 HB3 LYS 80 2HB LYS 80 -16.314 -2.278 13.582 575 HG2 LYS 80 1HG LYS 80 -17.128 -0.586 12.295 576 HG3 LYS 80 2HG LYS 80 -17.188 -1.576 10.835 577 HD2 LYS 80 1HD LYS 80 -19.005 -2.182 13.134 578 HD3 LYS 80 2HD LYS 80 -19.402 -0.877 12.013 579 HE2 LYS 80 1HE LYS 80 -20.493 -2.721 11.106 580 HE3 LYS 80 2HE LYS 80 -19.002 -2.626 10.169 581 HZ1 LYS 80 1HZ LYS 80 -18.198 -4.519 11.081 582 HZ2 LYS 80 2HZ LYS 80 -19.844 -4.868 11.253 583 HZ3 LYS 80 3HZ LYS 80 -18.961 -4.281 12.572 584 H TYR 81 H TYR 81 -13.641 -1.593 13.377 585 HA TYR 81 HA TYR 81 -11.856 -2.091 14.718 586 HB2 TYR 81 1HB TYR 81 -14.029 -2.844 15.963 587 HB3 TYR 81 2HB TYR 81 -13.408 -4.467 15.688 588 HD1 TYR 81 2HD TYR 81 -11.846 -1.222 16.708 589 HD2 TYR 81 1HD TYR 81 -12.463 -5.336 17.598 590 HE1 TYR 81 2HE TYR 81 -10.410 -1.002 18.693 591 HE2 TYR 81 1HE TYR 81 -11.030 -5.128 19.586 592 HH TYR 81 HH TYR 81 -8.938 -3.208 20.152 593 H THR 82 H THR 82 -11.401 -3.069 12.209 594 HA THR 82 HA THR 82 -9.932 -5.549 12.791 595 HB THR 82 HB THR 82 -11.526 -4.973 10.288 596 HG1 THR 82 1HG THR 82 -12.485 -5.935 12.324 597 HG21 THR 82 1HG2 THR 82 -9.826 -7.402 10.835 598 HG22 THR 82 2HG2 THR 82 -9.267 -6.026 9.883 599 HG23 THR 82 3HG2 THR 82 -10.652 -6.971 9.338 600 H GLU 83 H GLU 83 -7.890 -5.672 11.972 601 HA GLU 83 HA GLU 83 -6.709 -3.220 11.042 602 HB2 GLU 83 1HB GLU 83 -5.712 -5.083 12.604 603 HB3 GLU 83 2HB GLU 83 -5.235 -5.824 11.083 604 HG2 GLU 83 1HG GLU 83 -3.849 -4.016 10.512 605 HG3 GLU 83 2HG GLU 83 -4.552 -2.983 11.756 606 H TYR 84 H TYR 84 -5.451 -3.006 9.104 607 HA TYR 84 HA TYR 84 -5.877 -4.949 6.988 608 HB2 TYR 84 1HB TYR 84 -7.098 -2.208 6.999 609 HB3 TYR 84 2HB TYR 84 -6.636 -2.965 5.479 610 HD1 TYR 84 1HD TYR 84 -8.822 -3.292 8.441 611 HD2 TYR 84 2HD TYR 84 -7.951 -4.698 4.521 612 HE1 TYR 84 1HE TYR 84 -10.953 -4.521 8.415 613 HE2 TYR 84 2HE TYR 84 -10.079 -5.930 4.483 614 HH TYR 84 HH TYR 84 -12.126 -6.149 7.330 615 H SER 85 H SER 85 -4.144 -5.079 5.709 616 HA SER 85 HA SER 85 -1.940 -3.261 6.158 617 HB2 SER 85 1HB SER 85 -1.809 -5.832 5.863 618 HB3 SER 85 2HB SER 85 -1.943 -5.492 4.138 619 HG SER 85 HG SER 85 -0.126 -3.897 4.747 620 H PHE 86 H PHE 86 -0.830 -2.126 4.491 621 HA PHE 86 HA PHE 86 -2.144 -1.803 1.925 622 HB2 PHE 86 1HB PHE 86 -1.830 0.518 3.841 623 HB3 PHE 86 2HB PHE 86 -2.322 0.655 2.156 624 HD1 PHE 86 2HD PHE 86 -4.451 -0.582 1.452 625 HD2 PHE 86 1HD PHE 86 -3.412 0.194 5.505 626 HE1 PHE 86 2HE PHE 86 -6.800 -0.898 2.111 627 HE2 PHE 86 1HE PHE 86 -5.759 -0.121 6.171 628 HZ PHE 86 HZ PHE 86 -7.457 -0.667 4.473 629 H ARG 87 H ARG 87 -0.700 -1.448 0.354 630 HA ARG 87 HA ARG 87 1.830 -0.140 0.939 631 HB2 ARG 87 1HB ARG 87 3.195 -1.943 0.063 632 HB3 ARG 87 2HB ARG 87 2.242 -2.530 1.419 633 HG2 ARG 87 1HG ARG 87 0.779 -3.722 0.005 634 HG3 ARG 87 2HG ARG 87 1.389 -2.904 -1.435 635 HD2 ARG 87 1HD ARG 87 3.672 -3.969 -0.628 636 HD3 ARG 87 2HD ARG 87 2.585 -5.116 0.153 637 HE ARG 87 HE ARG 87 1.693 -4.934 -2.432 638 HH11 ARG 87 2HH1 ARG 87 4.697 -5.767 -0.881 639 HH12 ARG 87 1HH1 ARG 87 5.191 -6.859 -2.132 640 HH21 ARG 87 2HH2 ARG 87 2.332 -6.368 -4.086 641 HH22 ARG 87 1HH2 ARG 87 3.845 -7.199 -3.955 642 H VAL 88 H VAL 88 2.579 1.008 -0.756 643 HA VAL 88 HA VAL 88 1.094 0.774 -3.284 644 HB VAL 88 HB VAL 88 2.661 3.109 -2.178 645 HG11 VAL 88 1HG1 VAL 88 1.677 4.343 -4.110 646 HG12 VAL 88 2HG1 VAL 88 2.864 3.118 -4.564 647 HG13 VAL 88 3HG1 VAL 88 1.141 2.794 -4.761 648 HG21 VAL 88 1HG2 VAL 88 -0.152 2.293 -2.045 649 HG22 VAL 88 2HG2 VAL 88 0.761 3.394 -1.013 650 HG23 VAL 88 3HG2 VAL 88 0.105 3.964 -2.548 651 H VAL 89 H VAL 89 2.176 0.746 -5.258 652 HA VAL 89 HA VAL 89 5.081 0.266 -5.110 653 HB VAL 89 HB VAL 89 3.143 -1.121 -6.968 654 HG11 VAL 89 1HG1 VAL 89 5.872 -0.668 -7.251 655 HG12 VAL 89 2HG1 VAL 89 5.751 -2.327 -6.660 656 HG13 VAL 89 3HG1 VAL 89 4.898 -1.848 -8.127 657 HG21 VAL 89 1HG2 VAL 89 2.747 -2.048 -4.848 658 HG22 VAL 89 2HG2 VAL 89 3.884 -3.155 -5.616 659 HG23 VAL 89 3HG2 VAL 89 4.456 -2.000 -4.413 660 H ALA 90 H ALA 90 6.334 1.318 -6.549 661 HA ALA 90 HA ALA 90 5.063 3.311 -8.233 662 HB1 ALA 90 1HB ALA 90 6.934 4.498 -7.963 663 HB2 ALA 90 2HB ALA 90 7.371 3.301 -6.744 664 HB3 ALA 90 3HB ALA 90 7.966 3.135 -8.396 665 H TYR 91 H TYR 91 5.276 3.469 -10.457 666 HA TYR 91 HA TYR 91 6.455 1.149 -11.831 667 HB2 TYR 91 1HB TYR 91 3.704 2.287 -12.083 668 HB3 TYR 91 2HB TYR 91 4.474 1.618 -13.517 669 HD1 TYR 91 2HD TYR 91 3.114 0.849 -10.197 670 HD2 TYR 91 1HD TYR 91 4.869 -0.758 -13.724 671 HE1 TYR 91 2HE TYR 91 2.440 -1.410 -9.496 672 HE2 TYR 91 1HE TYR 91 4.199 -3.021 -13.034 673 HH TYR 91 HH TYR 91 2.278 -3.974 -11.469 674 H ASN 92 H ASN 92 7.477 1.556 -13.758 675 HA ASN 92 HA ASN 92 7.357 4.225 -14.913 676 HB2 ASN 92 1HB ASN 92 9.692 3.137 -13.437 677 HB3 ASN 92 2HB ASN 92 10.036 3.965 -14.952 678 HD21 ASN 92 1HD2 ASN 92 10.628 4.691 -12.163 679 HD22 ASN 92 2HD2 ASN 92 9.941 6.260 -11.938 680 H LYS 93 H LYS 93 8.303 4.351 -17.031 681 HA LYS 93 HA LYS 93 7.643 2.451 -18.814 682 HB2 LYS 93 1HB LYS 93 9.249 3.399 -20.369 683 HB3 LYS 93 2HB LYS 93 8.516 4.682 -19.415 684 HG2 LYS 93 1HG LYS 93 10.593 4.425 -17.902 685 HG3 LYS 93 2HG LYS 93 11.295 3.588 -19.288 686 HD2 LYS 93 1HD LYS 93 11.962 5.749 -19.702 687 HD3 LYS 93 2HD LYS 93 10.443 5.694 -20.599 688 HE2 LYS 93 1HE LYS 93 10.359 6.525 -17.746 689 HE3 LYS 93 2HE LYS 93 11.013 7.664 -18.922 690 HZ1 LYS 93 1HZ LYS 93 8.293 6.517 -18.794 691 HZ2 LYS 93 2HZ LYS 93 8.892 7.199 -20.220 692 HZ3 LYS 93 3HZ LYS 93 8.750 8.145 -18.826 693 H HIS 94 H HIS 94 10.606 2.508 -16.912 694 HA HIS 94 HA HIS 94 11.859 0.323 -18.223 695 HB2 HIS 94 1HB HIS 94 12.371 1.078 -15.357 696 HB3 HIS 94 2HB HIS 94 13.503 0.439 -16.545 697 HD1 HIS 94 1HD HIS 94 14.027 2.190 -18.592 698 HD2 HIS 94 2HD HIS 94 12.483 3.770 -15.073 699 HE1 HIS 94 1HE HIS 94 14.548 4.649 -18.673 700 HE2 HIS 94 2HE HIS 94 13.680 5.569 -16.495 701 H GLY 95 H GLY 95 10.422 0.477 -14.954 702 HA2 GLY 95 1HA GLY 95 8.796 -1.769 -15.183 703 HA3 GLY 95 2HA GLY 95 10.364 -2.338 -14.630 704 HA PRO 96 HA PRO 96 7.641 -0.764 -11.079 705 HB2 PRO 96 1HB PRO 96 7.112 -3.169 -9.936 706 HB3 PRO 96 2HB PRO 96 6.075 -2.442 -11.169 707 HG2 PRO 96 1HG PRO 96 8.169 -4.561 -11.465 708 HG3 PRO 96 2HG PRO 96 6.553 -4.476 -12.190 709 HD2 PRO 96 1HD PRO 96 8.798 -3.819 -13.554 710 HD3 PRO 96 2HD PRO 96 7.235 -3.030 -13.849 711 H GLY 97 H GLY 97 9.164 0.089 -9.781 712 HA2 GLY 97 1HA GLY 97 11.536 -1.313 -9.018 713 HA3 GLY 97 2HA GLY 97 11.010 0.249 -8.409 714 H VAL 98 H VAL 98 11.742 -0.438 -6.321 715 HA VAL 98 HA VAL 98 10.843 -2.699 -4.957 716 HB VAL 98 HB VAL 98 11.351 -1.435 -2.872 717 HG11 VAL 98 1HG1 VAL 98 13.101 -2.646 -4.074 718 HG12 VAL 98 2HG1 VAL 98 13.431 -1.211 -5.047 719 HG13 VAL 98 3HG1 VAL 98 13.741 -1.191 -3.310 720 HG21 VAL 98 1HG2 VAL 98 12.630 0.839 -3.832 721 HG22 VAL 98 2HG2 VAL 98 11.087 0.803 -4.686 722 HG23 VAL 98 3HG2 VAL 98 11.119 0.780 -2.923 723 H SER 99 H SER 99 9.595 -2.142 -2.693 724 HA SER 99 HA SER 99 7.127 -0.700 -3.342 725 HB2 SER 99 1HB SER 99 6.673 -3.039 -3.889 726 HB3 SER 99 2HB SER 99 7.234 -3.539 -2.293 727 HG SER 99 HG SER 99 5.469 -1.859 -1.669 728 H THR 100 H THR 100 6.027 0.145 -1.578 729 HA THR 100 HA THR 100 7.590 0.819 0.671 730 HB THR 100 HB THR 100 5.482 1.767 1.604 731 HG1 THR 100 1HG THR 100 3.698 0.893 0.890 732 HG21 THR 100 1HG2 THR 100 7.000 2.783 -0.314 733 HG22 THR 100 2HG2 THR 100 5.517 3.583 0.207 734 HG23 THR 100 3HG2 THR 100 5.521 2.597 -1.254 735 HA PRO 101 HA PRO 101 6.929 -2.492 3.482 736 HB2 PRO 101 1HB PRO 101 6.983 -1.167 5.850 737 HB3 PRO 101 2HB PRO 101 8.429 -1.445 4.871 738 HG2 PRO 101 1HG PRO 101 6.724 1.007 5.080 739 HG3 PRO 101 2HG PRO 101 8.492 0.874 5.039 740 HD2 PRO 101 1HD PRO 101 7.032 1.558 2.863 741 HD3 PRO 101 2HD PRO 101 8.547 0.640 2.747 742 H ASP 102 H ASP 102 5.171 -3.581 4.097 743 HA ASP 102 HA ASP 102 2.601 -2.910 3.846 744 HB2 ASP 102 1HB ASP 102 3.488 -4.464 6.276 745 HB3 ASP 102 2HB ASP 102 1.999 -4.651 5.354 746 H VAL 103 H VAL 103 1.085 -1.666 4.785 747 HA VAL 103 HA VAL 103 1.825 -0.264 7.272 748 HB VAL 103 HB VAL 103 0.307 0.791 4.887 749 HG11 VAL 103 1HG1 VAL 103 -0.891 1.939 6.400 750 HG12 VAL 103 2HG1 VAL 103 0.249 1.605 7.704 751 HG13 VAL 103 3HG1 VAL 103 0.569 2.914 6.565 752 HG21 VAL 103 1HG2 VAL 103 2.373 1.396 4.286 753 HG22 VAL 103 2HG2 VAL 103 2.264 2.593 5.576 754 HG23 VAL 103 3HG2 VAL 103 3.037 1.037 5.880 755 H ALA 104 H ALA 104 0.738 -1.985 8.420 756 HA ALA 104 HA ALA 104 -2.052 -2.474 8.026 757 HB1 ALA 104 1HB ALA 104 -0.338 -3.147 10.414 758 HB2 ALA 104 2HB ALA 104 -1.909 -3.842 10.014 759 HB3 ALA 104 3HB ALA 104 -0.517 -4.154 8.977 760 H VAL 105 H VAL 105 -3.791 -1.622 9.054 761 HA VAL 105 HA VAL 105 -3.395 0.203 11.297 762 HB VAL 105 HB VAL 105 -3.282 1.601 9.242 763 HG11 VAL 105 1HG1 VAL 105 -5.597 1.971 8.152 764 HG12 VAL 105 2HG1 VAL 105 -4.636 0.575 7.661 765 HG13 VAL 105 3HG1 VAL 105 -5.974 0.372 8.792 766 HG21 VAL 105 1HG2 VAL 105 -3.974 3.060 10.788 767 HG22 VAL 105 2HG2 VAL 105 -5.571 2.887 10.061 768 HG23 VAL 105 3HG2 VAL 105 -5.134 1.920 11.470 769 H ARG 106 H ARG 106 -5.177 0.418 12.628 770 HA ARG 106 HA ARG 106 -7.268 -1.574 12.206 771 HB2 ARG 106 1HB ARG 106 -5.907 -1.262 14.387 772 HB3 ARG 106 2HB ARG 106 -6.961 0.117 14.670 773 HG2 ARG 106 1HG ARG 106 -8.913 -1.378 14.522 774 HG3 ARG 106 2HG ARG 106 -7.817 -2.748 14.328 775 HD2 ARG 106 1HD ARG 106 -7.714 -0.880 16.686 776 HD3 ARG 106 2HD ARG 106 -8.696 -2.344 16.664 777 HE ARG 106 HE ARG 106 -6.199 -3.197 15.978 778 HH11 ARG 106 2HH1 ARG 106 -7.536 -1.412 18.652 779 HH12 ARG 106 1HH1 ARG 106 -6.367 -1.992 19.793 780 HH21 ARG 106 2HH2 ARG 106 -4.655 -3.967 17.470 781 HH22 ARG 106 1HH2 ARG 106 -4.729 -3.445 19.119 782 H THR 107 H THR 107 -9.368 -1.103 11.863 783 HA THR 107 HA THR 107 -10.053 1.589 11.124 784 HB THR 107 HB THR 107 -12.390 0.493 10.831 785 HG1 THR 107 1HG THR 107 -12.497 -1.626 11.097 786 HG21 THR 107 1HG2 THR 107 -10.067 0.602 9.214 787 HG22 THR 107 2HG2 THR 107 -11.752 0.529 8.698 788 HG23 THR 107 3HG2 THR 107 -10.835 -0.959 8.928 789 H LEU 108 H LEU 108 -12.065 2.629 11.915 790 HA LEU 108 HA LEU 108 -11.982 2.944 14.725 791 HB2 LEU 108 1HB LEU 108 -14.237 3.810 12.936 792 HB3 LEU 108 2HB LEU 108 -13.720 4.531 14.459 793 HG LEU 108 HG LEU 108 -12.126 4.589 11.898 794 HD11 LEU 108 1HD1 LEU 108 -13.276 7.054 13.036 795 HD12 LEU 108 2HD1 LEU 108 -14.413 5.944 12.271 796 HD13 LEU 108 3HD1 LEU 108 -13.045 6.575 11.354 797 HD21 LEU 108 1HD2 LEU 108 -11.418 6.614 13.751 798 HD22 LEU 108 2HD2 LEU 108 -10.434 5.277 13.154 799 HD23 LEU 108 3HD2 LEU 108 -11.416 5.071 14.606 800 H SER 109 H SER 109 -13.221 2.128 16.331 801 HA SER 109 HA SER 109 -14.661 -0.280 15.847 802 HB2 SER 109 1HB SER 109 -14.883 -0.448 18.187 803 HB3 SER 109 2HB SER 109 -13.351 0.397 17.961 804 HG SER 109 HG SER 109 -14.613 2.374 18.234 805 H ASP 110 H ASP 110 -16.873 -0.706 16.199 806 HA ASP 110 HA ASP 110 -18.597 1.635 15.757 807 HB2 ASP 110 1HB ASP 110 -18.966 0.253 13.932 808 HB3 ASP 110 2HB ASP 110 -18.750 -1.220 14.873 809 H SER 111 H SER 111 -18.667 -1.552 17.356 810 HA SER 111 HA SER 111 -20.839 -0.743 19.072 811 HB2 SER 111 1HB SER 111 -20.647 -3.070 18.265 812 HB3 SER 111 2HB SER 111 -19.133 -3.244 19.152 813 HG SER 111 HG SER 111 -20.481 -2.613 21.048 814 H GLY 112 H GLY 112 -17.506 -1.870 19.700 815 HA2 GLY 112 1HA GLY 112 -17.189 -1.535 22.327 816 HA3 GLY 112 2HA GLY 112 -15.959 -0.984 21.199 817 HA PRO 113 HA PRO 113 -18.727 2.718 22.772 818 HB2 PRO 113 1HB PRO 113 -19.381 2.427 25.391 819 HB3 PRO 113 2HB PRO 113 -20.434 1.899 24.073 820 HG2 PRO 113 1HG PRO 113 -18.554 0.289 25.757 821 HG3 PRO 113 2HG PRO 113 -20.203 -0.103 25.234 822 HD2 PRO 113 1HD PRO 113 -18.008 -1.120 24.017 823 HD3 PRO 113 2HD PRO 113 -19.514 -0.777 23.141 824 H SER 114 H SER 114 -18.257 4.307 24.686 825 HA SER 114 HA SER 114 -15.406 4.518 24.876 826 HB2 SER 114 1HB SER 114 -16.764 6.523 24.582 827 HB3 SER 114 2HB SER 114 -17.601 6.206 26.101 828 HG SER 114 HG SER 114 -15.516 6.406 27.128 829 H SER 115 H SER 115 -14.870 2.631 26.078 830 HA SER 115 HA SER 115 -15.867 2.273 28.749 831 HB2 SER 115 1HB SER 115 -13.559 0.942 27.309 832 HB3 SER 115 2HB SER 115 -14.210 0.436 28.868 833 HG SER 115 HG SER 115 -15.044 -0.729 27.016 834 H GLY 116 H GLY 116 -12.596 2.923 27.464 835 HA2 GLY 116 1HA GLY 116 -11.953 5.083 29.044 836 HA3 GLY 116 2HA GLY 116 -11.578 3.675 30.026 Start of MODEL 9 1 H1 GLY 1 H GLY 1 -2.079 -2.037 26.570 2 HA2 GLY 1 1HA GLY 1 0.369 -1.633 26.569 3 HA3 GLY 1 2HA GLY 1 0.005 -3.348 26.450 4 H SER 2 H SER 2 2.317 -3.081 25.552 5 HA SER 2 HA SER 2 2.306 -2.316 22.728 6 HB2 SER 2 1HB SER 2 4.750 -2.522 22.863 7 HB3 SER 2 2HB SER 2 4.139 -1.461 24.132 8 HG SER 2 HG SER 2 5.609 -3.648 24.399 9 H SER 3 H SER 3 3.194 -3.736 21.117 10 HA SER 3 HA SER 3 3.745 -6.469 21.623 11 HB2 SER 3 1HB SER 3 1.717 -7.390 20.439 12 HB3 SER 3 2HB SER 3 1.393 -6.717 22.036 13 HG SER 3 HG SER 3 -0.143 -5.844 20.765 14 H GLY 4 H GLY 4 3.549 -7.745 19.420 15 HA2 GLY 4 1HA GLY 4 3.469 -6.777 16.927 16 HA3 GLY 4 2HA GLY 4 5.002 -6.127 17.491 17 H SER 5 H SER 5 5.685 -7.472 15.570 18 HA SER 5 HA SER 5 6.539 -10.089 16.560 19 HB2 SER 5 1HB SER 5 4.504 -10.436 15.153 20 HB3 SER 5 2HB SER 5 5.362 -9.702 13.798 21 HG SER 5 HG SER 5 6.103 -12.059 15.199 22 H SER 6 H SER 6 8.191 -11.060 14.976 23 HA SER 6 HA SER 6 10.052 -8.911 14.247 24 HB2 SER 6 1HB SER 6 10.456 -11.821 14.935 25 HB3 SER 6 2HB SER 6 11.731 -10.847 14.202 26 HG SER 6 HG SER 6 10.540 -10.609 16.738 27 H GLY 7 H GLY 7 10.814 -8.652 12.209 28 HA2 GLY 7 1HA GLY 7 10.901 -10.557 10.181 29 HA3 GLY 7 2HA GLY 7 9.345 -9.751 10.051 30 H ARG 8 H ARG 8 12.113 -9.788 8.570 31 HA ARG 8 HA ARG 8 12.079 -6.901 8.033 32 HB2 ARG 8 1HB ARG 8 14.486 -6.798 7.954 33 HB3 ARG 8 2HB ARG 8 14.000 -7.449 9.514 34 HG2 ARG 8 1HG ARG 8 14.585 -9.670 8.841 35 HG3 ARG 8 2HG ARG 8 14.885 -9.137 7.186 36 HD2 ARG 8 1HD ARG 8 16.803 -7.912 7.829 37 HD3 ARG 8 2HD ARG 8 16.400 -8.041 9.541 38 HE ARG 8 HE ARG 8 16.716 -10.626 8.663 39 HH11 ARG 8 2HH1 ARG 8 18.676 -7.751 8.777 40 HH12 ARG 8 1HH1 ARG 8 20.169 -8.617 8.928 41 HH21 ARG 8 2HH2 ARG 8 18.675 -11.778 8.861 42 HH22 ARG 8 1HH2 ARG 8 20.167 -10.908 8.974 43 H VAL 9 H VAL 9 12.702 -6.301 5.917 44 HA VAL 9 HA VAL 9 12.561 -8.516 3.980 45 HB VAL 9 HB VAL 9 11.771 -5.622 3.612 46 HG11 VAL 9 1HG1 VAL 9 12.376 -7.723 1.715 47 HG12 VAL 9 2HG1 VAL 9 10.723 -7.131 1.533 48 HG13 VAL 9 3HG1 VAL 9 12.080 -6.006 1.440 49 HG21 VAL 9 1HG2 VAL 9 10.328 -7.301 5.002 50 HG22 VAL 9 2HG2 VAL 9 9.563 -6.247 3.813 51 HG23 VAL 9 3HG2 VAL 9 9.892 -7.933 3.414 52 H GLU 10 H GLU 10 14.113 -8.748 2.461 53 HA GLU 10 HA GLU 10 16.605 -7.443 2.828 54 HB2 GLU 10 1HB GLU 10 17.353 -8.732 0.897 55 HB3 GLU 10 2HB GLU 10 16.434 -9.746 2.000 56 HG2 GLU 10 1HG GLU 10 15.099 -8.448 -0.337 57 HG3 GLU 10 2HG GLU 10 16.018 -9.939 -0.536 58 H THR 11 H THR 11 17.712 -6.020 1.459 59 HA THR 11 HA THR 11 15.959 -4.217 -0.019 60 HB THR 11 HB THR 11 17.885 -2.682 -0.061 61 HG1 THR 11 1HG THR 11 19.212 -4.956 0.640 62 HG21 THR 11 1HG2 THR 11 18.010 -2.250 2.358 63 HG22 THR 11 2HG2 THR 11 17.303 -3.835 2.670 64 HG23 THR 11 3HG2 THR 11 16.361 -2.596 1.841 65 H GLN 12 H GLN 12 17.001 -3.191 -2.029 66 HA GLN 12 HA GLN 12 18.150 -5.339 -3.687 67 HB2 GLN 12 1HB GLN 12 16.030 -3.311 -4.247 68 HB3 GLN 12 2HB GLN 12 17.054 -3.849 -5.571 69 HG2 GLN 12 1HG GLN 12 16.361 -6.118 -5.270 70 HG3 GLN 12 2HG GLN 12 15.483 -5.702 -3.800 71 HE21 GLN 12 1HE2 GLN 12 14.110 -7.021 -5.636 72 HE22 GLN 12 2HE2 GLN 12 12.999 -5.990 -6.465 73 HA PRO 13 HA PRO 13 21.621 -2.730 -4.397 74 HB2 PRO 13 1HB PRO 13 22.495 -3.803 -6.733 75 HB3 PRO 13 2HB PRO 13 22.686 -4.612 -5.173 76 HG2 PRO 13 1HG PRO 13 20.627 -5.059 -7.300 77 HG3 PRO 13 2HG PRO 13 21.523 -6.252 -6.342 78 HD2 PRO 13 1HD PRO 13 18.974 -5.542 -5.769 79 HD3 PRO 13 2HD PRO 13 20.139 -6.011 -4.514 80 H GLU 14 H GLU 14 22.666 -1.806 -6.676 81 HA GLU 14 HA GLU 14 21.039 0.364 -7.362 82 HB2 GLU 14 1HB GLU 14 23.534 -0.805 -8.552 83 HB3 GLU 14 2HB GLU 14 22.717 0.534 -9.344 84 HG2 GLU 14 1HG GLU 14 23.345 0.772 -6.451 85 HG3 GLU 14 2HG GLU 14 24.656 0.931 -7.618 86 H VAL 15 H VAL 15 19.395 0.569 -8.726 87 HA VAL 15 HA VAL 15 19.239 -1.062 -11.125 88 HB VAL 15 HB VAL 15 17.043 -1.127 -9.050 89 HG11 VAL 15 1HG1 VAL 15 15.737 -2.369 -10.557 90 HG12 VAL 15 2HG1 VAL 15 16.365 -1.018 -11.504 91 HG13 VAL 15 3HG1 VAL 15 17.092 -2.618 -11.657 92 HG21 VAL 15 1HG2 VAL 15 18.819 -3.327 -10.104 93 HG22 VAL 15 2HG2 VAL 15 18.925 -2.591 -8.505 94 HG23 VAL 15 3HG2 VAL 15 17.499 -3.526 -8.952 95 H GLN 16 H GLN 16 17.993 -0.154 -12.742 96 HA GLN 16 HA GLN 16 17.447 2.657 -12.453 97 HB2 GLN 16 1HB GLN 16 16.960 0.830 -14.811 98 HB3 GLN 16 2HB GLN 16 16.914 2.587 -14.839 99 HG2 GLN 16 1HG GLN 16 19.281 2.675 -14.294 100 HG3 GLN 16 2HG GLN 16 19.338 0.915 -14.216 101 HE21 GLN 16 1HE2 GLN 16 20.363 3.273 -16.029 102 HE22 GLN 16 2HE2 GLN 16 20.186 2.609 -17.614 103 H LEU 17 H LEU 17 15.817 1.434 -10.698 104 HA LEU 17 HA LEU 17 13.166 1.608 -11.973 105 HB2 LEU 17 1HB LEU 17 14.281 -0.317 -10.026 106 HB3 LEU 17 2HB LEU 17 12.624 0.214 -9.744 107 HG LEU 17 HG LEU 17 11.842 -0.781 -11.699 108 HD11 LEU 17 1HD1 LEU 17 14.707 -0.925 -12.620 109 HD12 LEU 17 2HD1 LEU 17 13.432 0.107 -13.267 110 HD13 LEU 17 3HD1 LEU 17 13.340 -1.642 -13.473 111 HD21 LEU 17 1HD2 LEU 17 13.470 -3.015 -11.659 112 HD22 LEU 17 2HD2 LEU 17 12.044 -2.741 -10.658 113 HD23 LEU 17 3HD2 LEU 17 13.647 -2.336 -10.041 114 HA PRO 18 HA PRO 18 12.031 4.790 -9.175 115 HB2 PRO 18 1HB PRO 18 9.477 4.141 -8.520 116 HB3 PRO 18 2HB PRO 18 9.934 4.754 -10.114 117 HG2 PRO 18 1HG PRO 18 9.448 1.933 -9.237 118 HG3 PRO 18 2HG PRO 18 8.928 2.748 -10.724 119 HD2 PRO 18 1HD PRO 18 11.066 1.088 -10.643 120 HD3 PRO 18 2HD PRO 18 10.982 2.485 -11.735 121 H GLY 19 H GLY 19 11.602 5.332 -6.975 122 HA2 GLY 19 1HA GLY 19 12.295 3.158 -5.133 123 HA3 GLY 19 2HA GLY 19 12.444 4.877 -4.801 124 HA PRO 20 HA PRO 20 8.553 3.078 -2.849 125 HB2 PRO 20 1HB PRO 20 9.244 3.567 -0.270 126 HB3 PRO 20 2HB PRO 20 9.647 2.062 -1.103 127 HG2 PRO 20 1HG PRO 20 11.359 4.466 -0.604 128 HG3 PRO 20 2HG PRO 20 11.773 2.748 -0.458 129 HD2 PRO 20 1HD PRO 20 12.476 4.238 -2.607 130 HD3 PRO 20 2HD PRO 20 12.106 2.506 -2.725 131 H ALA 21 H ALA 21 6.852 4.388 -2.522 132 HA ALA 21 HA ALA 21 7.055 7.173 -2.790 133 HB1 ALA 21 1HB ALA 21 4.859 7.024 -3.097 134 HB2 ALA 21 2HB ALA 21 5.001 5.293 -2.791 135 HB3 ALA 21 3HB ALA 21 4.612 6.393 -1.468 136 HA PRO 22 HA PRO 22 8.277 8.135 1.395 137 HB2 PRO 22 1HB PRO 22 8.401 10.821 1.022 138 HB3 PRO 22 2HB PRO 22 9.663 9.715 0.467 139 HG2 PRO 22 1HG PRO 22 7.423 10.962 -1.079 140 HG3 PRO 22 2HG PRO 22 9.122 10.753 -1.542 141 HD2 PRO 22 1HD PRO 22 7.159 9.111 -2.426 142 HD3 PRO 22 2HD PRO 22 8.819 8.549 -2.141 143 H ASN 23 H ASN 23 7.529 10.100 2.896 144 HA ASN 23 HA ASN 23 5.777 10.520 4.349 145 HB2 ASN 23 1HB ASN 23 5.334 11.921 1.762 146 HB3 ASN 23 2HB ASN 23 4.030 11.982 2.945 147 HD21 ASN 23 1HD2 ASN 23 7.491 11.872 3.571 148 HD22 ASN 23 2HD2 ASN 23 7.588 13.423 4.325 149 H LEU 24 H LEU 24 5.464 7.933 3.585 150 HA LEU 24 HA LEU 24 2.841 7.474 2.493 151 HB2 LEU 24 1HB LEU 24 4.655 5.892 2.109 152 HB3 LEU 24 2HB LEU 24 4.779 5.599 3.843 153 HG LEU 24 HG LEU 24 2.415 4.710 3.735 154 HD11 LEU 24 1HD1 LEU 24 2.958 5.118 0.820 155 HD12 LEU 24 2HD1 LEU 24 1.517 5.519 1.755 156 HD13 LEU 24 3HD1 LEU 24 1.878 3.836 1.371 157 HD21 LEU 24 1HD2 LEU 24 4.202 3.168 3.961 158 HD22 LEU 24 2HD2 LEU 24 4.669 3.355 2.271 159 HD23 LEU 24 3HD2 LEU 24 3.156 2.546 2.684 160 H ARG 25 H ARG 25 1.205 8.204 3.735 161 HA ARG 25 HA ARG 25 1.163 7.381 6.563 162 HB2 ARG 25 1HB ARG 25 -0.673 9.494 5.540 163 HB3 ARG 25 2HB ARG 25 0.063 9.320 7.128 164 HG2 ARG 25 1HG ARG 25 1.698 10.007 4.713 165 HG3 ARG 25 2HG ARG 25 0.848 11.242 5.643 166 HD2 ARG 25 1HD ARG 25 2.817 9.280 6.808 167 HD3 ARG 25 2HD ARG 25 3.223 10.923 6.314 168 HE ARG 25 HE ARG 25 1.049 10.749 8.199 169 HH11 ARG 25 2HH1 ARG 25 4.496 11.003 7.785 170 HH12 ARG 25 1HH1 ARG 25 4.764 11.697 9.349 171 HH21 ARG 25 2HH2 ARG 25 1.389 11.663 10.260 172 HH22 ARG 25 1HH2 ARG 25 2.996 12.072 10.757 173 H ALA 26 H ALA 26 -0.875 6.708 7.456 174 HA ALA 26 HA ALA 26 -3.017 6.036 5.617 175 HB1 ALA 26 1HB ALA 26 -2.187 3.708 7.210 176 HB2 ALA 26 2HB ALA 26 -2.781 3.800 5.551 177 HB3 ALA 26 3HB ALA 26 -1.091 4.159 5.903 178 H TYR 27 H TYR 27 -4.924 6.266 6.595 179 HA TYR 27 HA TYR 27 -5.189 5.751 9.449 180 HB2 TYR 27 1HB TYR 27 -6.348 7.963 9.772 181 HB3 TYR 27 2HB TYR 27 -4.612 8.072 9.506 182 HD1 TYR 27 2HD TYR 27 -3.750 8.830 7.296 183 HD2 TYR 27 1HD TYR 27 -7.893 8.955 8.256 184 HE1 TYR 27 2HE TYR 27 -4.128 10.395 5.437 185 HE2 TYR 27 1HE TYR 27 -8.283 10.519 6.399 186 HH TYR 27 HH TYR 27 -7.355 11.358 4.473 187 H ALA 28 H ALA 28 -7.313 5.355 10.117 188 HA ALA 28 HA ALA 28 -9.096 4.554 7.968 189 HB1 ALA 28 1HB ALA 28 -9.774 2.970 9.373 190 HB2 ALA 28 2HB ALA 28 -8.506 3.513 10.473 191 HB3 ALA 28 3HB ALA 28 -10.143 4.149 10.632 192 H ALA 29 H ALA 29 -10.466 5.996 7.162 193 HA ALA 29 HA ALA 29 -11.259 8.345 8.597 194 HB1 ALA 29 1HB ALA 29 -10.919 8.305 6.148 195 HB2 ALA 29 2HB ALA 29 -12.347 7.281 5.995 196 HB3 ALA 29 3HB ALA 29 -12.503 8.924 6.617 197 H SER 30 H SER 30 -12.815 5.305 7.689 198 HA SER 30 HA SER 30 -14.929 5.886 9.642 199 HB2 SER 30 1HB SER 30 -15.248 5.274 6.747 200 HB3 SER 30 2HB SER 30 -16.389 4.520 7.860 201 HG SER 30 HG SER 30 -17.129 6.475 8.455 202 HA PRO 31 HA PRO 31 -14.366 1.788 11.098 203 HB2 PRO 31 1HB PRO 31 -16.902 1.003 11.669 204 HB3 PRO 31 2HB PRO 31 -16.027 2.200 12.631 205 HG2 PRO 31 1HG PRO 31 -18.078 2.622 10.492 206 HG3 PRO 31 2HG PRO 31 -17.909 3.439 12.057 207 HD2 PRO 31 1HD PRO 31 -17.069 4.551 9.736 208 HD3 PRO 31 2HD PRO 31 -16.256 4.848 11.286 209 H THR 32 H THR 32 -15.720 2.366 8.144 210 HA THR 32 HA THR 32 -15.776 -0.504 7.507 211 HB THR 32 HB THR 32 -17.618 -0.103 5.902 212 HG1 THR 32 1HG THR 32 -17.116 2.312 5.976 213 HG21 THR 32 1HG2 THR 32 -19.083 0.824 8.158 214 HG22 THR 32 2HG2 THR 32 -17.786 -0.221 8.736 215 HG23 THR 32 3HG2 THR 32 -18.938 -0.823 7.544 216 H SER 33 H SER 33 -14.280 2.343 7.010 217 HA SER 33 HA SER 33 -13.264 1.478 4.409 218 HB2 SER 33 1HB SER 33 -13.714 3.436 3.276 219 HB3 SER 33 2HB SER 33 -15.126 3.365 4.329 220 HG SER 33 HG SER 33 -13.079 5.167 4.278 221 H ILE 34 H ILE 34 -11.336 2.960 3.785 222 HA ILE 34 HA ILE 34 -9.882 4.021 6.060 223 HB ILE 34 HB ILE 34 -8.836 1.658 4.498 224 HG12 ILE 34 1HG1 ILE 34 -9.321 1.961 7.467 225 HG13 ILE 34 2HG1 ILE 34 -10.449 1.185 6.361 226 HG21 ILE 34 1HG2 ILE 34 -6.955 2.991 4.775 227 HG22 ILE 34 2HG2 ILE 34 -7.491 3.593 6.343 228 HG23 ILE 34 3HG2 ILE 34 -6.905 1.937 6.188 229 HD11 ILE 34 1HD1 ILE 34 -9.288 -0.713 6.350 230 HD12 ILE 34 2HD1 ILE 34 -7.745 0.124 6.179 231 HD13 ILE 34 3HD1 ILE 34 -8.474 -0.066 7.774 232 H THR 35 H THR 35 -8.770 5.758 5.452 233 HA THR 35 HA THR 35 -8.364 6.221 2.585 234 HB THR 35 HB THR 35 -8.377 8.115 4.937 235 HG1 THR 35 1HG THR 35 -10.399 7.348 3.922 236 HG21 THR 35 1HG2 THR 35 -8.047 9.915 3.269 237 HG22 THR 35 2HG2 THR 35 -7.747 8.687 2.039 238 HG23 THR 35 3HG2 THR 35 -6.647 8.852 3.407 239 H VAL 36 H VAL 36 -6.398 6.247 1.694 240 HA VAL 36 HA VAL 36 -4.059 6.293 3.490 241 HB VAL 36 HB VAL 36 -4.281 4.786 0.881 242 HG11 VAL 36 1HG1 VAL 36 -2.139 3.793 1.559 243 HG12 VAL 36 2HG1 VAL 36 -2.019 5.541 1.351 244 HG13 VAL 36 3HG1 VAL 36 -2.107 4.848 2.971 245 HG21 VAL 36 1HG2 VAL 36 -5.242 3.138 2.014 246 HG22 VAL 36 2HG2 VAL 36 -3.828 3.053 3.065 247 HG23 VAL 36 3HG2 VAL 36 -5.186 4.092 3.496 248 H THR 37 H THR 37 -2.491 7.724 3.043 249 HA THR 37 HA THR 37 -2.572 9.112 0.447 250 HB THR 37 HB THR 37 -2.025 11.220 1.528 251 HG1 THR 37 1HG THR 37 -2.154 9.686 3.926 252 HG21 THR 37 1HG2 THR 37 -4.174 11.711 1.995 253 HG22 THR 37 2HG2 THR 37 -4.292 10.463 3.236 254 HG23 THR 37 3HG2 THR 37 -4.478 10.036 1.535 255 H TRP 38 H TRP 38 -0.678 9.238 -0.587 256 HA TRP 38 HA TRP 38 1.799 8.859 0.946 257 HB2 TRP 38 1HB TRP 38 2.671 7.396 -0.847 258 HB3 TRP 38 2HB TRP 38 1.264 6.702 -0.046 259 HD1 TRP 38 HD TRP 38 2.385 8.171 -3.393 260 HE1 TRP 38 1HE TRP 38 0.635 7.573 -5.183 261 HE3 TRP 38 3HE TRP 38 -1.214 6.160 -0.369 262 HZ2 TRP 38 2HZ TRP 38 -1.933 6.405 -5.298 263 HZ3 TRP 38 3HZ TRP 38 -3.288 5.326 -1.398 264 HH2 TRP 38 HH TRP 38 -3.638 5.448 -3.811 265 H GLU 39 H GLU 39 3.754 9.307 -0.572 266 HA GLU 39 HA GLU 39 3.121 11.662 -2.227 267 HB2 GLU 39 1HB GLU 39 5.196 11.257 -0.120 268 HB3 GLU 39 2HB GLU 39 5.587 12.287 -1.490 269 HG2 GLU 39 1HG GLU 39 3.309 12.647 0.442 270 HG3 GLU 39 2HG GLU 39 4.770 13.627 0.329 271 H THR 40 H THR 40 4.860 12.189 -3.820 272 HA THR 40 HA THR 40 5.593 9.768 -5.237 273 HB THR 40 HB THR 40 6.121 12.618 -6.086 274 HG1 THR 40 1HG THR 40 3.879 10.995 -6.763 275 HG21 THR 40 1HG2 THR 40 5.852 10.059 -7.668 276 HG22 THR 40 2HG2 THR 40 7.364 10.896 -7.315 277 HG23 THR 40 3HG2 THR 40 6.148 11.663 -8.337 278 HA PRO 41 HA PRO 41 9.740 9.714 -3.690 279 HB2 PRO 41 1HB PRO 41 10.740 7.914 -5.459 280 HB3 PRO 41 2HB PRO 41 9.694 7.456 -4.110 281 HG2 PRO 41 1HG PRO 41 8.995 7.873 -6.991 282 HG3 PRO 41 2HG PRO 41 8.467 6.591 -5.886 283 HD2 PRO 41 1HD PRO 41 6.914 8.726 -6.489 284 HD3 PRO 41 2HD PRO 41 6.862 7.924 -4.906 285 H VAL 42 H VAL 42 10.828 11.567 -4.083 286 HA VAL 42 HA VAL 42 11.151 12.957 -6.413 287 HB VAL 42 HB VAL 42 13.157 13.961 -5.469 288 HG11 VAL 42 1HG1 VAL 42 10.931 13.402 -3.526 289 HG12 VAL 42 2HG1 VAL 42 12.227 14.552 -3.192 290 HG13 VAL 42 3HG1 VAL 42 11.147 14.812 -4.562 291 HG21 VAL 42 1HG2 VAL 42 13.031 11.799 -3.370 292 HG22 VAL 42 2HG2 VAL 42 14.208 11.872 -4.681 293 HG23 VAL 42 3HG2 VAL 42 14.189 13.127 -3.443 294 H SER 43 H SER 43 12.813 10.058 -5.413 295 HA SER 43 HA SER 43 14.820 10.224 -7.477 296 HB2 SER 43 1HB SER 43 14.060 8.073 -5.499 297 HB3 SER 43 2HB SER 43 15.313 7.841 -6.718 298 HG SER 43 HG SER 43 15.760 10.159 -5.501 299 H GLY 44 H GLY 44 15.083 8.513 -9.113 300 HA2 GLY 44 1HA GLY 44 13.592 6.578 -10.051 301 HA3 GLY 44 2HA GLY 44 12.485 7.913 -10.333 302 H ASN 45 H ASN 45 12.910 6.786 -12.552 303 HA ASN 45 HA ASN 45 15.109 8.241 -13.869 304 HB2 ASN 45 1HB ASN 45 15.258 5.675 -13.763 305 HB3 ASN 45 2HB ASN 45 13.929 5.675 -14.919 306 HD21 ASN 45 1HD2 ASN 45 16.147 4.483 -15.709 307 HD22 ASN 45 2HD2 ASN 45 17.012 5.439 -16.860 308 H GLY 46 H GLY 46 11.878 6.836 -14.379 309 HA2 GLY 46 1HA GLY 46 11.371 9.009 -16.319 310 HA3 GLY 46 2HA GLY 46 10.762 7.377 -16.549 311 H GLU 47 H GLU 47 9.034 9.494 -16.623 312 HA GLU 47 HA GLU 47 7.846 10.181 -14.172 313 HB2 GLU 47 1HB GLU 47 6.934 10.202 -17.022 314 HB3 GLU 47 2HB GLU 47 5.766 10.502 -15.743 315 HG2 GLU 47 1HG GLU 47 8.261 12.080 -16.317 316 HG3 GLU 47 2HG GLU 47 6.594 12.592 -16.578 317 H ILE 48 H ILE 48 6.385 9.204 -12.892 318 HA ILE 48 HA ILE 48 5.967 6.430 -13.066 319 HB ILE 48 HB ILE 48 4.322 8.398 -11.474 320 HG12 ILE 48 1HG1 ILE 48 6.813 8.584 -11.132 321 HG13 ILE 48 2HG1 ILE 48 5.900 8.154 -9.690 322 HG21 ILE 48 1HG2 ILE 48 3.605 6.619 -10.176 323 HG22 ILE 48 2HG2 ILE 48 3.605 5.932 -11.800 324 HG23 ILE 48 3HG2 ILE 48 4.930 5.576 -10.692 325 HD11 ILE 48 1HD1 ILE 48 8.123 6.913 -10.349 326 HD12 ILE 48 2HD1 ILE 48 6.777 6.059 -9.595 327 HD13 ILE 48 3HD1 ILE 48 7.019 5.958 -11.339 328 H GLN 49 H GLN 49 4.580 5.281 -14.229 329 HA GLN 49 HA GLN 49 2.666 6.527 -15.932 330 HB2 GLN 49 1HB GLN 49 3.003 3.597 -15.269 331 HB3 GLN 49 2HB GLN 49 2.096 4.253 -16.625 332 HG2 GLN 49 1HG GLN 49 5.050 4.652 -16.227 333 HG3 GLN 49 2HG GLN 49 4.346 3.367 -17.206 334 HE21 GLN 49 1HE2 GLN 49 5.842 4.600 -18.734 335 HE22 GLN 49 2HE2 GLN 49 5.102 5.848 -19.672 336 H ASN 50 H ASN 50 2.276 4.194 -13.258 337 HA ASN 50 HA ASN 50 -0.131 5.565 -12.399 338 HB2 ASN 50 1HB ASN 50 -0.963 3.995 -14.108 339 HB3 ASN 50 2HB ASN 50 -0.212 2.659 -13.240 340 HD21 ASN 50 1HD2 ASN 50 -1.241 1.763 -11.545 341 HD22 ASN 50 2HD2 ASN 50 -2.788 2.271 -10.966 342 H TYR 51 H TYR 51 -0.776 5.029 -10.280 343 HA TYR 51 HA TYR 51 1.373 3.860 -8.690 344 HB2 TYR 51 1HB TYR 51 -1.058 5.496 -7.966 345 HB3 TYR 51 2HB TYR 51 -0.001 4.772 -6.759 346 HD1 TYR 51 1HD TYR 51 2.558 5.347 -7.043 347 HD2 TYR 51 2HD TYR 51 -0.625 7.656 -8.667 348 HE1 TYR 51 1HE TYR 51 4.048 7.300 -7.171 349 HE2 TYR 51 2HE TYR 51 0.856 9.615 -8.802 350 HH TYR 51 HH TYR 51 4.170 9.435 -8.549 351 H LYS 52 H LYS 52 1.290 1.808 -8.099 352 HA LYS 52 HA LYS 52 -1.250 0.375 -8.179 353 HB2 LYS 52 1HB LYS 52 0.893 -0.496 -9.244 354 HB3 LYS 52 2HB LYS 52 1.476 -0.785 -7.611 355 HG2 LYS 52 1HG LYS 52 0.633 -2.843 -8.272 356 HG3 LYS 52 2HG LYS 52 -0.667 -2.155 -7.296 357 HD2 LYS 52 1HD LYS 52 -2.038 -1.844 -9.096 358 HD3 LYS 52 2HD LYS 52 -0.695 -1.612 -10.217 359 HE2 LYS 52 1HE LYS 52 -1.162 -4.286 -8.962 360 HE3 LYS 52 2HE LYS 52 -2.131 -3.779 -10.344 361 HZ1 LYS 52 1HZ LYS 52 0.737 -4.376 -10.205 362 HZ2 LYS 52 2HZ LYS 52 0.207 -3.233 -11.333 363 HZ3 LYS 52 3HZ LYS 52 -0.398 -4.813 -11.382 364 H LEU 53 H LEU 53 -2.399 0.708 -6.359 365 HA LEU 53 HA LEU 53 -1.037 0.560 -3.770 366 HB2 LEU 53 1HB LEU 53 -2.382 2.468 -3.873 367 HB3 LEU 53 2HB LEU 53 -3.700 1.604 -4.661 368 HG LEU 53 HG LEU 53 -3.877 0.326 -2.411 369 HD11 LEU 53 1HD1 LEU 53 -2.970 2.766 -1.070 370 HD12 LEU 53 2HD1 LEU 53 -1.679 1.793 -1.774 371 HD13 LEU 53 3HD1 LEU 53 -2.787 1.075 -0.604 372 HD21 LEU 53 1HD2 LEU 53 -5.400 2.025 -1.549 373 HD22 LEU 53 2HD2 LEU 53 -5.575 1.844 -3.295 374 HD23 LEU 53 3HD2 LEU 53 -4.692 3.222 -2.635 375 H TYR 54 H TYR 54 -1.316 -1.089 -2.387 376 HA TYR 54 HA TYR 54 -3.218 -3.200 -3.166 377 HB2 TYR 54 1HB TYR 54 -0.609 -3.430 -1.652 378 HB3 TYR 54 2HB TYR 54 -1.712 -4.766 -1.966 379 HD1 TYR 54 2HD TYR 54 -0.119 -2.035 -3.974 380 HD2 TYR 54 1HD TYR 54 -1.036 -6.177 -3.649 381 HE1 TYR 54 2HE TYR 54 1.001 -2.445 -6.125 382 HE2 TYR 54 1HE TYR 54 0.083 -6.599 -5.799 383 HH TYR 54 HH TYR 54 0.651 -5.281 -7.868 384 H TYR 55 H TYR 55 -4.097 -4.495 -1.368 385 HA TYR 55 HA TYR 55 -4.061 -3.413 1.287 386 HB2 TYR 55 1HB TYR 55 -6.343 -2.693 1.434 387 HB3 TYR 55 2HB TYR 55 -5.612 -1.857 0.069 388 HD1 TYR 55 1HD TYR 55 -5.926 -3.079 -2.259 389 HD2 TYR 55 2HD TYR 55 -8.415 -3.671 1.141 390 HE1 TYR 55 1HE TYR 55 -7.725 -3.892 -3.725 391 HE2 TYR 55 2HE TYR 55 -10.221 -4.486 -0.316 392 HH TYR 55 HH TYR 55 -10.000 -5.642 -3.050 393 H MET 56 H MET 56 -4.825 -4.853 2.794 394 HA MET 56 HA MET 56 -6.441 -7.111 2.038 395 HB2 MET 56 1HB MET 56 -4.911 -8.804 2.106 396 HB3 MET 56 2HB MET 56 -3.867 -7.526 1.497 397 HG2 MET 56 1HG MET 56 -3.271 -7.082 3.933 398 HG3 MET 56 2HG MET 56 -4.035 -8.633 4.276 399 HE1 MET 56 1HE MET 56 -2.590 -9.828 5.182 400 HE2 MET 56 2HE MET 56 -1.862 -11.032 4.118 401 HE3 MET 56 3HE MET 56 -0.844 -9.840 4.929 402 H GLU 57 H GLU 57 -6.919 -8.520 3.909 403 HA GLU 57 HA GLU 57 -7.022 -6.911 6.348 404 HB2 GLU 57 1HB GLU 57 -9.151 -7.753 5.597 405 HB3 GLU 57 2HB GLU 57 -8.520 -9.391 5.497 406 HG2 GLU 57 1HG GLU 57 -8.195 -9.379 7.943 407 HG3 GLU 57 2HG GLU 57 -8.934 -7.780 8.004 408 H LYS 58 H LYS 58 -5.272 -7.182 7.588 409 HA LYS 58 HA LYS 58 -3.363 -8.992 7.757 410 HB2 LYS 58 1HB LYS 58 -3.901 -7.054 9.377 411 HB3 LYS 58 2HB LYS 58 -4.744 -8.268 10.330 412 HG2 LYS 58 1HG LYS 58 -2.716 -8.370 11.333 413 HG3 LYS 58 2HG LYS 58 -2.443 -9.550 10.049 414 HD2 LYS 58 1HD LYS 58 -0.576 -8.266 9.776 415 HD3 LYS 58 2HD LYS 58 -1.685 -7.381 8.726 416 HE2 LYS 58 1HE LYS 58 -1.882 -5.629 10.184 417 HE3 LYS 58 2HE LYS 58 -1.578 -6.633 11.601 418 HZ1 LYS 58 1HZ LYS 58 0.752 -6.729 11.002 419 HZ2 LYS 58 2HZ LYS 58 0.257 -5.119 11.156 420 HZ3 LYS 58 3HZ LYS 58 0.470 -5.795 9.620 421 H GLY 59 H GLY 59 -3.653 -11.104 7.268 422 HA2 GLY 59 1HA GLY 59 -3.923 -13.182 8.719 423 HA3 GLY 59 2HA GLY 59 -5.582 -12.629 8.899 424 H THR 60 H THR 60 -5.953 -11.733 6.221 425 HA THR 60 HA THR 60 -6.943 -14.010 5.005 426 HB THR 60 HB THR 60 -6.013 -11.810 3.225 427 HG1 THR 60 1HG THR 60 -6.816 -10.382 4.571 428 HG21 THR 60 1HG2 THR 60 -8.805 -12.353 3.116 429 HG22 THR 60 2HG2 THR 60 -7.945 -13.892 3.174 430 HG23 THR 60 3HG2 THR 60 -7.567 -12.716 1.915 431 H ASP 61 H ASP 61 -3.736 -12.637 4.860 432 HA ASP 61 HA ASP 61 -1.768 -13.462 4.065 433 HB2 ASP 61 1HB ASP 61 -3.294 -16.008 3.486 434 HB3 ASP 61 2HB ASP 61 -1.547 -15.832 3.635 435 H LYS 62 H LYS 62 -3.858 -12.199 2.350 436 HA LYS 62 HA LYS 62 -2.530 -12.655 -0.172 437 HB2 LYS 62 1HB LYS 62 -4.184 -14.379 -0.361 438 HB3 LYS 62 2HB LYS 62 -5.454 -13.303 0.204 439 HG2 LYS 62 1HG LYS 62 -5.880 -13.257 -2.026 440 HG3 LYS 62 2HG LYS 62 -4.742 -11.911 -1.921 441 HD2 LYS 62 1HD LYS 62 -3.910 -13.124 -3.710 442 HD3 LYS 62 2HD LYS 62 -2.945 -13.733 -2.364 443 HE2 LYS 62 1HE LYS 62 -4.364 -15.681 -2.181 444 HE3 LYS 62 2HE LYS 62 -5.442 -15.051 -3.425 445 HZ1 LYS 62 1HZ LYS 62 -3.670 -15.233 -5.032 446 HZ2 LYS 62 2HZ LYS 62 -3.911 -16.731 -4.285 447 HZ3 LYS 62 3HZ LYS 62 -2.591 -15.769 -3.845 448 H GLU 63 H GLU 63 -2.176 -10.708 -0.992 449 HA GLU 63 HA GLU 63 -3.956 -8.504 -0.230 450 HB2 GLU 63 1HB GLU 63 -2.173 -7.023 -0.634 451 HB3 GLU 63 2HB GLU 63 -1.435 -8.407 0.159 452 HG2 GLU 63 1HG GLU 63 -1.509 -8.338 -2.812 453 HG3 GLU 63 2HG GLU 63 -0.354 -7.312 -1.963 454 H GLN 64 H GLN 64 -4.655 -6.975 -1.809 455 HA GLN 64 HA GLN 64 -4.896 -8.147 -4.497 456 HB2 GLN 64 1HB GLN 64 -6.717 -6.273 -2.987 457 HB3 GLN 64 2HB GLN 64 -6.918 -6.651 -4.692 458 HG2 GLN 64 1HG GLN 64 -6.796 -8.844 -2.668 459 HG3 GLN 64 2HG GLN 64 -8.289 -7.942 -2.924 460 HE21 GLN 64 1HE2 GLN 64 -9.599 -8.625 -4.464 461 HE22 GLN 64 2HE2 GLN 64 -9.181 -9.712 -5.741 462 H ASP 65 H ASP 65 -5.651 -6.100 -6.019 463 HA ASP 65 HA ASP 65 -3.754 -3.909 -5.623 464 HB2 ASP 65 1HB ASP 65 -2.762 -4.129 -7.781 465 HB3 ASP 65 2HB ASP 65 -2.680 -5.717 -7.025 466 H VAL 66 H VAL 66 -4.541 -1.980 -6.230 467 HA VAL 66 HA VAL 66 -6.916 -1.925 -7.968 468 HB VAL 66 HB VAL 66 -7.973 -0.252 -6.610 469 HG11 VAL 66 1HG1 VAL 66 -7.755 -2.860 -5.903 470 HG12 VAL 66 2HG1 VAL 66 -7.238 -2.062 -4.416 471 HG13 VAL 66 3HG1 VAL 66 -8.819 -1.698 -5.110 472 HG21 VAL 66 1HG2 VAL 66 -6.046 0.974 -5.844 473 HG22 VAL 66 2HG2 VAL 66 -6.988 0.457 -4.445 474 HG23 VAL 66 3HG2 VAL 66 -5.508 -0.399 -4.877 475 H ASP 67 H ASP 67 -6.790 -0.521 -9.598 476 HA ASP 67 HA ASP 67 -4.428 0.993 -10.039 477 HB2 ASP 67 1HB ASP 67 -5.797 0.011 -11.863 478 HB3 ASP 67 2HB ASP 67 -7.075 1.166 -11.494 479 H VAL 68 H VAL 68 -3.950 3.039 -9.548 480 HA VAL 68 HA VAL 68 -6.094 4.924 -8.919 481 HB VAL 68 HB VAL 68 -3.754 4.525 -7.054 482 HG11 VAL 68 1HG1 VAL 68 -4.842 6.814 -7.294 483 HG12 VAL 68 2HG1 VAL 68 -6.270 6.088 -6.554 484 HG13 VAL 68 3HG1 VAL 68 -4.746 6.141 -5.667 485 HG21 VAL 68 1HG2 VAL 68 -6.533 3.429 -7.010 486 HG22 VAL 68 2HG2 VAL 68 -5.008 2.634 -6.617 487 HG23 VAL 68 3HG2 VAL 68 -5.711 3.799 -5.494 488 H SER 69 H SER 69 -5.657 6.988 -9.510 489 HA SER 69 HA SER 69 -2.929 7.568 -10.463 490 HB2 SER 69 1HB SER 69 -5.587 8.099 -11.752 491 HB3 SER 69 2HB SER 69 -4.219 9.159 -12.092 492 HG SER 69 HG SER 69 -3.785 6.412 -12.256 493 H SER 70 H SER 70 -3.562 8.150 -7.888 494 HA SER 70 HA SER 70 -3.283 11.015 -7.854 495 HB2 SER 70 1HB SER 70 -5.669 9.755 -6.477 496 HB3 SER 70 2HB SER 70 -5.181 11.445 -6.351 497 HG SER 70 HG SER 70 -6.876 10.899 -7.942 498 H HIS 71 H HIS 71 -2.851 11.830 -5.644 499 HA HIS 71 HA HIS 71 -1.260 9.878 -4.186 500 HB2 HIS 71 1HB HIS 71 -1.524 12.845 -3.671 501 HB3 HIS 71 2HB HIS 71 -0.275 11.768 -3.053 502 HD1 HIS 71 1HD HIS 71 -0.688 14.252 -5.506 503 HD2 HIS 71 2HD HIS 71 1.146 10.525 -5.478 504 HE1 HIS 71 1HE HIS 71 0.932 14.286 -7.428 505 HE2 HIS 71 2HE HIS 71 1.969 11.991 -7.444 506 H SER 72 H SER 72 -4.164 9.731 -4.062 507 HA SER 72 HA SER 72 -4.468 9.340 -1.277 508 HB2 SER 72 1HB SER 72 -6.219 11.026 -0.838 509 HB3 SER 72 2HB SER 72 -4.674 11.780 -1.228 510 HG SER 72 HG SER 72 -5.753 11.599 -3.515 511 H TYR 73 H TYR 73 -5.869 7.729 -1.046 512 HA TYR 73 HA TYR 73 -8.141 7.515 -2.881 513 HB2 TYR 73 1HB TYR 73 -6.243 6.102 -3.732 514 HB3 TYR 73 2HB TYR 73 -6.349 5.166 -2.245 515 HD1 TYR 73 2HD TYR 73 -8.030 5.985 -5.407 516 HD2 TYR 73 1HD TYR 73 -8.146 3.602 -1.884 517 HE1 TYR 73 2HE TYR 73 -9.757 4.566 -6.432 518 HE2 TYR 73 1HE TYR 73 -9.873 2.175 -2.900 519 HH TYR 73 HH TYR 73 -11.606 2.363 -4.677 520 H THR 74 H THR 74 -9.803 6.016 -2.118 521 HA THR 74 HA THR 74 -9.702 5.541 0.784 522 HB THR 74 HB THR 74 -12.099 6.626 -0.707 523 HG1 THR 74 1HG THR 74 -11.535 8.558 0.053 524 HG21 THR 74 1HG2 THR 74 -13.341 6.318 1.154 525 HG22 THR 74 2HG2 THR 74 -11.997 6.686 2.235 526 HG23 THR 74 3HG2 THR 74 -12.140 5.080 1.521 527 H ILE 75 H ILE 75 -10.005 3.465 1.215 528 HA ILE 75 HA ILE 75 -11.430 1.799 -0.738 529 HB ILE 75 HB ILE 75 -9.537 1.039 1.488 530 HG12 ILE 75 1HG1 ILE 75 -9.237 0.606 -1.483 531 HG13 ILE 75 2HG1 ILE 75 -8.638 2.049 -0.673 532 HG21 ILE 75 1HG2 ILE 75 -9.758 -1.257 0.297 533 HG22 ILE 75 2HG2 ILE 75 -10.983 -0.763 1.465 534 HG23 ILE 75 3HG2 ILE 75 -11.303 -0.618 -0.263 535 HD11 ILE 75 1HD1 ILE 75 -7.000 0.888 0.461 536 HD12 ILE 75 2HD1 ILE 75 -7.832 -0.658 0.289 537 HD13 ILE 75 3HD1 ILE 75 -7.037 0.076 -1.103 538 H ASN 76 H ASN 76 -13.544 1.731 -0.277 539 HA ASN 76 HA ASN 76 -14.402 1.535 2.515 540 HB2 ASN 76 1HB ASN 76 -16.729 1.743 1.311 541 HB3 ASN 76 2HB ASN 76 -15.711 3.164 1.521 542 HD21 ASN 76 1HD2 ASN 76 -14.963 4.217 -0.229 543 HD22 ASN 76 2HD2 ASN 76 -15.291 3.752 -1.860 544 H GLY 77 H GLY 77 -16.207 0.019 3.004 545 HA2 GLY 77 1HA GLY 77 -17.326 -2.021 2.752 546 HA3 GLY 77 2HA GLY 77 -16.405 -2.319 1.285 547 H LEU 78 H LEU 78 -15.448 -1.669 4.654 548 HA LEU 78 HA LEU 78 -13.958 -4.210 4.608 549 HB2 LEU 78 1HB LEU 78 -13.147 -1.706 6.071 550 HB3 LEU 78 2HB LEU 78 -12.228 -3.204 5.937 551 HG LEU 78 HG LEU 78 -12.815 -1.260 3.706 552 HD11 LEU 78 1HD1 LEU 78 -10.416 -0.851 3.747 553 HD12 LEU 78 2HD1 LEU 78 -10.239 -1.958 5.108 554 HD13 LEU 78 3HD1 LEU 78 -11.149 -0.460 5.304 555 HD21 LEU 78 1HD2 LEU 78 -12.782 -3.550 2.884 556 HD22 LEU 78 2HD2 LEU 78 -11.242 -3.834 3.694 557 HD23 LEU 78 3HD2 LEU 78 -11.339 -2.681 2.362 558 H LYS 79 H LYS 79 -13.416 -4.972 6.882 559 HA LYS 79 HA LYS 79 -15.864 -5.173 8.358 560 HB2 LYS 79 1HB LYS 79 -13.108 -6.319 8.662 561 HB3 LYS 79 2HB LYS 79 -14.274 -6.467 9.971 562 HG2 LYS 79 1HG LYS 79 -15.019 -7.308 7.204 563 HG3 LYS 79 2HG LYS 79 -14.047 -8.368 8.227 564 HD2 LYS 79 1HD LYS 79 -16.638 -7.169 9.169 565 HD3 LYS 79 2HD LYS 79 -16.576 -8.694 8.282 566 HE2 LYS 79 1HE LYS 79 -15.569 -9.811 10.006 567 HE3 LYS 79 2HE LYS 79 -14.781 -8.362 10.629 568 HZ1 LYS 79 1HZ LYS 79 -16.768 -9.419 11.897 569 HZ2 LYS 79 2HZ LYS 79 -17.707 -8.575 10.772 570 HZ3 LYS 79 3HZ LYS 79 -16.642 -7.736 11.782 571 H LYS 80 H LYS 80 -16.061 -4.732 10.659 572 HA LYS 80 HA LYS 80 -14.938 -2.139 11.313 573 HB2 LYS 80 1HB LYS 80 -17.147 -3.839 12.386 574 HB3 LYS 80 2HB LYS 80 -16.451 -2.607 13.431 575 HG2 LYS 80 1HG LYS 80 -17.285 -0.886 12.197 576 HG3 LYS 80 2HG LYS 80 -17.254 -1.804 10.690 577 HD2 LYS 80 1HD LYS 80 -19.163 -3.143 11.501 578 HD3 LYS 80 2HD LYS 80 -19.213 -2.151 12.961 579 HE2 LYS 80 1HE LYS 80 -19.443 -0.159 11.366 580 HE3 LYS 80 2HE LYS 80 -19.810 -1.357 10.126 581 HZ1 LYS 80 1HZ LYS 80 -21.758 -1.967 11.172 582 HZ2 LYS 80 2HZ LYS 80 -21.729 -0.298 11.441 583 HZ3 LYS 80 3HZ LYS 80 -21.283 -1.361 12.678 584 H TYR 81 H TYR 81 -13.547 -1.693 12.964 585 HA TYR 81 HA TYR 81 -11.817 -2.057 14.400 586 HB2 TYR 81 1HB TYR 81 -13.861 -2.691 15.788 587 HB3 TYR 81 2HB TYR 81 -13.443 -4.368 15.458 588 HD1 TYR 81 2HD TYR 81 -11.664 -1.271 16.584 589 HD2 TYR 81 1HD TYR 81 -12.302 -5.441 17.140 590 HE1 TYR 81 2HE TYR 81 -10.103 -1.251 18.484 591 HE2 TYR 81 1HE TYR 81 -10.743 -5.432 19.042 592 HH TYR 81 HH TYR 81 -8.995 -4.173 19.984 593 H THR 82 H THR 82 -11.193 -3.060 12.018 594 HA THR 82 HA THR 82 -9.750 -5.529 12.689 595 HB THR 82 HB THR 82 -11.227 -5.025 10.099 596 HG1 THR 82 1HG THR 82 -12.478 -5.824 11.904 597 HG21 THR 82 1HG2 THR 82 -9.424 -7.316 10.892 598 HG22 THR 82 2HG2 THR 82 -9.081 -6.098 9.663 599 HG23 THR 82 3HG2 THR 82 -10.401 -7.243 9.427 600 H GLU 83 H GLU 83 -7.690 -5.680 11.890 601 HA GLU 83 HA GLU 83 -6.501 -3.222 10.961 602 HB2 GLU 83 1HB GLU 83 -5.555 -5.084 12.595 603 HB3 GLU 83 2HB GLU 83 -4.961 -5.773 11.091 604 HG2 GLU 83 1HG GLU 83 -3.488 -4.068 10.724 605 HG3 GLU 83 2HG GLU 83 -4.448 -2.897 11.626 606 H TYR 84 H TYR 84 -5.282 -2.976 9.040 607 HA TYR 84 HA TYR 84 -5.589 -5.006 6.970 608 HB2 TYR 84 1HB TYR 84 -6.815 -2.270 6.884 609 HB3 TYR 84 2HB TYR 84 -6.292 -3.047 5.394 610 HD1 TYR 84 1HD TYR 84 -8.589 -3.340 8.274 611 HD2 TYR 84 2HD TYR 84 -7.560 -4.803 4.413 612 HE1 TYR 84 1HE TYR 84 -10.711 -4.582 8.185 613 HE2 TYR 84 2HE TYR 84 -9.679 -6.047 4.313 614 HH TYR 84 HH TYR 84 -11.906 -6.108 7.064 615 H SER 85 H SER 85 -3.804 -5.179 5.776 616 HA SER 85 HA SER 85 -1.624 -3.335 6.236 617 HB2 SER 85 1HB SER 85 -1.585 -5.970 5.953 618 HB3 SER 85 2HB SER 85 -1.429 -5.555 4.246 619 HG SER 85 HG SER 85 0.575 -5.777 5.551 620 H PHE 86 H PHE 86 -0.666 -2.000 4.746 621 HA PHE 86 HA PHE 86 -1.860 -1.839 2.074 622 HB2 PHE 86 1HB PHE 86 -1.560 0.458 4.014 623 HB3 PHE 86 2HB PHE 86 -1.859 0.673 2.292 624 HD1 PHE 86 2HD PHE 86 -3.961 -0.417 1.321 625 HD2 PHE 86 1HD PHE 86 -3.325 0.165 5.489 626 HE1 PHE 86 2HE PHE 86 -6.381 -0.623 1.716 627 HE2 PHE 86 1HE PHE 86 -5.743 -0.042 5.891 628 HZ PHE 86 HZ PHE 86 -7.275 -0.435 4.003 629 H ARG 87 H ARG 87 -0.454 -1.335 0.467 630 HA ARG 87 HA ARG 87 2.161 -0.236 1.094 631 HB2 ARG 87 1HB ARG 87 3.429 -2.037 0.171 632 HB3 ARG 87 2HB ARG 87 2.347 -2.724 1.375 633 HG2 ARG 87 1HG ARG 87 0.886 -3.566 -0.319 634 HG3 ARG 87 2HG ARG 87 1.781 -2.715 -1.580 635 HD2 ARG 87 1HD ARG 87 2.708 -4.783 -1.806 636 HD3 ARG 87 2HD ARG 87 3.793 -4.118 -0.586 637 HE ARG 87 HE ARG 87 1.718 -5.336 0.780 638 HH11 ARG 87 2HH1 ARG 87 4.234 -6.272 -1.437 639 HH12 ARG 87 1HH1 ARG 87 4.374 -7.878 -0.803 640 HH21 ARG 87 2HH2 ARG 87 1.893 -7.449 1.623 641 HH22 ARG 87 1HH2 ARG 87 3.042 -8.547 0.936 642 H VAL 88 H VAL 88 2.910 1.022 -0.510 643 HA VAL 88 HA VAL 88 1.373 1.068 -3.012 644 HB VAL 88 HB VAL 88 3.168 3.170 -1.792 645 HG11 VAL 88 1HG1 VAL 88 2.399 4.628 -3.597 646 HG12 VAL 88 2HG1 VAL 88 3.263 3.226 -4.233 647 HG13 VAL 88 3HG1 VAL 88 1.501 3.285 -4.304 648 HG21 VAL 88 1HG2 VAL 88 1.365 3.996 -0.780 649 HG22 VAL 88 2HG2 VAL 88 0.412 3.908 -2.261 650 HG23 VAL 88 3HG2 VAL 88 0.531 2.501 -1.204 651 H VAL 89 H VAL 89 2.314 0.773 -4.968 652 HA VAL 89 HA VAL 89 5.224 0.305 -5.016 653 HB VAL 89 HB VAL 89 3.150 -1.213 -6.603 654 HG11 VAL 89 1HG1 VAL 89 5.800 -0.747 -7.216 655 HG12 VAL 89 2HG1 VAL 89 5.826 -2.332 -6.440 656 HG13 VAL 89 3HG1 VAL 89 4.799 -2.055 -7.847 657 HG21 VAL 89 1HG2 VAL 89 4.602 -2.967 -4.991 658 HG22 VAL 89 2HG2 VAL 89 4.195 -1.608 -3.944 659 HG23 VAL 89 3HG2 VAL 89 2.918 -2.483 -4.790 660 H ALA 90 H ALA 90 6.340 1.358 -6.543 661 HA ALA 90 HA ALA 90 4.887 3.131 -8.332 662 HB1 ALA 90 1HB ALA 90 6.806 4.383 -8.491 663 HB2 ALA 90 2HB ALA 90 6.998 3.679 -6.885 664 HB3 ALA 90 3HB ALA 90 7.865 2.991 -8.259 665 H TYR 91 H TYR 91 4.405 2.570 -10.342 666 HA TYR 91 HA TYR 91 6.049 0.516 -11.666 667 HB2 TYR 91 1HB TYR 91 3.118 1.126 -11.759 668 HB3 TYR 91 2HB TYR 91 3.887 0.368 -13.149 669 HD1 TYR 91 1HD TYR 91 4.742 -1.904 -13.015 670 HD2 TYR 91 2HD TYR 91 2.876 -0.071 -9.659 671 HE1 TYR 91 1HE TYR 91 4.540 -4.104 -11.933 672 HE2 TYR 91 2HE TYR 91 2.669 -2.266 -8.568 673 HH TYR 91 HH TYR 91 4.016 -5.187 -10.047 674 H ASN 92 H ASN 92 7.383 1.336 -13.126 675 HA ASN 92 HA ASN 92 6.435 3.569 -14.797 676 HB2 ASN 92 1HB ASN 92 8.656 4.508 -14.821 677 HB3 ASN 92 2HB ASN 92 8.178 4.266 -13.144 678 HD21 ASN 92 1HD2 ASN 92 10.832 4.524 -14.194 679 HD22 ASN 92 2HD2 ASN 92 11.670 3.061 -13.813 680 H LYS 93 H LYS 93 7.797 3.752 -16.854 681 HA LYS 93 HA LYS 93 7.391 1.651 -18.523 682 HB2 LYS 93 1HB LYS 93 9.097 2.610 -20.010 683 HB3 LYS 93 2HB LYS 93 8.065 3.855 -19.318 684 HG2 LYS 93 1HG LYS 93 9.824 4.334 -17.651 685 HG3 LYS 93 2HG LYS 93 10.862 3.152 -18.452 686 HD2 LYS 93 1HD LYS 93 9.645 5.419 -19.989 687 HD3 LYS 93 2HD LYS 93 11.122 5.654 -19.051 688 HE2 LYS 93 1HE LYS 93 12.222 3.887 -20.303 689 HE3 LYS 93 2HE LYS 93 10.737 3.568 -21.197 690 HZ1 LYS 93 1HZ LYS 93 10.864 5.809 -22.113 691 HZ2 LYS 93 2HZ LYS 93 12.248 4.915 -22.494 692 HZ3 LYS 93 3HZ LYS 93 12.307 6.088 -21.276 693 H HIS 94 H HIS 94 10.391 2.287 -16.722 694 HA HIS 94 HA HIS 94 11.887 0.136 -17.653 695 HB2 HIS 94 1HB HIS 94 11.925 1.453 -14.931 696 HB3 HIS 94 2HB HIS 94 13.161 0.346 -15.520 697 HD1 HIS 94 1HD HIS 94 14.149 1.252 -18.022 698 HD2 HIS 94 2HD HIS 94 12.658 4.016 -15.302 699 HE1 HIS 94 1HE HIS 94 15.135 3.463 -18.702 700 HE2 HIS 94 2HE HIS 94 14.287 5.105 -16.991 701 H GLY 95 H GLY 95 10.003 0.291 -14.621 702 HA2 GLY 95 1HA GLY 95 8.593 -1.997 -14.715 703 HA3 GLY 95 2HA GLY 95 10.198 -2.585 -14.308 704 HA PRO 96 HA PRO 96 7.768 -1.252 -10.477 705 HB2 PRO 96 1HB PRO 96 7.496 -3.718 -9.375 706 HB3 PRO 96 2HB PRO 96 6.307 -3.025 -10.485 707 HG2 PRO 96 1HG PRO 96 8.494 -4.993 -11.039 708 HG3 PRO 96 2HG PRO 96 6.817 -4.994 -11.614 709 HD2 PRO 96 1HD PRO 96 8.883 -4.153 -13.149 710 HD3 PRO 96 2HD PRO 96 7.254 -3.458 -13.276 711 H GLY 97 H GLY 97 9.442 -0.305 -9.420 712 HA2 GLY 97 1HA GLY 97 11.939 -1.515 -8.907 713 HA3 GLY 97 2HA GLY 97 11.314 -0.078 -8.112 714 H VAL 98 H VAL 98 10.975 -0.226 -6.000 715 HA VAL 98 HA VAL 98 10.845 -2.905 -4.799 716 HB VAL 98 HB VAL 98 11.388 -1.682 -2.656 717 HG11 VAL 98 1HG1 VAL 98 13.068 -2.410 -4.849 718 HG12 VAL 98 2HG1 VAL 98 13.771 -1.025 -4.011 719 HG13 VAL 98 3HG1 VAL 98 13.398 -2.501 -3.119 720 HG21 VAL 98 1HG2 VAL 98 10.699 0.548 -3.319 721 HG22 VAL 98 2HG2 VAL 98 12.408 0.548 -2.880 722 HG23 VAL 98 3HG2 VAL 98 11.933 0.579 -4.579 723 H SER 99 H SER 99 9.673 -2.699 -2.509 724 HA SER 99 HA SER 99 7.094 -1.347 -2.952 725 HB2 SER 99 1HB SER 99 6.697 -3.674 -3.382 726 HB3 SER 99 2HB SER 99 7.583 -4.152 -1.934 727 HG SER 99 HG SER 99 5.583 -2.431 -1.336 728 H THR 100 H THR 100 6.418 -0.110 -1.323 729 HA THR 100 HA THR 100 8.005 0.523 0.867 730 HB THR 100 HB THR 100 5.745 1.404 1.843 731 HG1 THR 100 1HG THR 100 4.283 0.311 0.586 732 HG21 THR 100 1HG2 THR 100 7.094 2.367 -0.666 733 HG22 THR 100 2HG2 THR 100 7.278 2.967 0.983 734 HG23 THR 100 3HG2 THR 100 5.785 3.270 0.094 735 HA PRO 101 HA PRO 101 7.289 -2.524 3.944 736 HB2 PRO 101 1HB PRO 101 7.265 -1.031 6.212 737 HB3 PRO 101 2HB PRO 101 8.738 -1.353 5.289 738 HG2 PRO 101 1HG PRO 101 6.991 1.078 5.279 739 HG3 PRO 101 2HG PRO 101 8.761 0.972 5.289 740 HD2 PRO 101 1HD PRO 101 7.344 1.473 3.037 741 HD3 PRO 101 2HD PRO 101 8.875 0.575 3.022 742 H ASP 102 H ASP 102 5.528 -3.596 4.577 743 HA ASP 102 HA ASP 102 2.952 -2.940 4.232 744 HB2 ASP 102 1HB ASP 102 3.680 -4.394 6.758 745 HB3 ASP 102 2HB ASP 102 2.342 -4.697 5.653 746 H VAL 103 H VAL 103 1.485 -1.577 5.036 747 HA VAL 103 HA VAL 103 2.137 -0.168 7.544 748 HB VAL 103 HB VAL 103 0.768 0.875 5.067 749 HG11 VAL 103 1HG1 VAL 103 -0.384 2.313 6.304 750 HG12 VAL 103 2HG1 VAL 103 0.267 1.586 7.774 751 HG13 VAL 103 3HG1 VAL 103 1.119 2.920 6.997 752 HG21 VAL 103 1HG2 VAL 103 2.704 2.660 5.849 753 HG22 VAL 103 2HG2 VAL 103 3.435 1.100 6.225 754 HG23 VAL 103 3HG2 VAL 103 2.879 1.441 4.587 755 H ALA 104 H ALA 104 0.946 -2.023 8.511 756 HA ALA 104 HA ALA 104 -1.805 -2.439 8.055 757 HB1 ALA 104 1HB ALA 104 0.126 -3.191 10.183 758 HB2 ALA 104 2HB ALA 104 -1.597 -3.335 10.535 759 HB3 ALA 104 3HB ALA 104 -0.900 -4.209 9.172 760 H VAL 105 H VAL 105 -3.619 -1.597 8.985 761 HA VAL 105 HA VAL 105 -3.345 0.406 11.093 762 HB VAL 105 HB VAL 105 -3.256 1.569 8.847 763 HG11 VAL 105 1HG1 VAL 105 -4.850 0.155 7.666 764 HG12 VAL 105 2HG1 VAL 105 -6.141 0.692 8.742 765 HG13 VAL 105 3HG1 VAL 105 -5.372 1.839 7.645 766 HG21 VAL 105 1HG2 VAL 105 -3.921 3.299 10.070 767 HG22 VAL 105 2HG2 VAL 105 -5.603 2.824 9.838 768 HG23 VAL 105 3HG2 VAL 105 -4.693 2.201 11.214 769 H ARG 106 H ARG 106 -5.069 0.505 12.454 770 HA ARG 106 HA ARG 106 -7.129 -1.521 12.080 771 HB2 ARG 106 1HB ARG 106 -5.788 -1.141 14.247 772 HB3 ARG 106 2HB ARG 106 -6.827 0.257 14.488 773 HG2 ARG 106 1HG ARG 106 -8.790 -1.306 14.291 774 HG3 ARG 106 2HG ARG 106 -7.630 -2.635 14.353 775 HD2 ARG 106 1HD ARG 106 -7.955 -0.497 16.456 776 HD3 ARG 106 2HD ARG 106 -8.608 -2.131 16.556 777 HE ARG 106 HE ARG 106 -5.870 -1.322 16.966 778 HH11 ARG 106 2HH1 ARG 106 -8.031 -3.952 16.236 779 HH12 ARG 106 1HH1 ARG 106 -6.933 -5.177 16.781 780 HH21 ARG 106 2HH2 ARG 106 -4.416 -2.925 17.686 781 HH22 ARG 106 1HH2 ARG 106 -4.878 -4.592 17.607 782 H THR 107 H THR 107 -9.223 -1.109 11.675 783 HA THR 107 HA THR 107 -9.973 1.564 10.912 784 HB THR 107 HB THR 107 -12.275 0.353 10.593 785 HG1 THR 107 1HG THR 107 -12.233 -1.783 10.748 786 HG21 THR 107 1HG2 THR 107 -9.912 0.603 8.995 787 HG22 THR 107 2HG2 THR 107 -11.601 0.610 8.486 788 HG23 THR 107 3HG2 THR 107 -10.723 -0.914 8.605 789 H LEU 108 H LEU 108 -12.076 2.498 11.641 790 HA LEU 108 HA LEU 108 -12.075 2.790 14.466 791 HB2 LEU 108 1HB LEU 108 -14.179 3.668 12.495 792 HB3 LEU 108 2HB LEU 108 -13.958 4.274 14.135 793 HG LEU 108 HG LEU 108 -12.010 4.647 11.860 794 HD11 LEU 108 1HD1 LEU 108 -13.127 6.470 11.268 795 HD12 LEU 108 2HD1 LEU 108 -13.180 7.045 12.933 796 HD13 LEU 108 3HD1 LEU 108 -14.431 5.955 12.338 797 HD21 LEU 108 1HD2 LEU 108 -11.730 4.897 14.695 798 HD22 LEU 108 2HD2 LEU 108 -11.608 6.491 13.950 799 HD23 LEU 108 3HD2 LEU 108 -10.538 5.188 13.428 800 H SER 109 H SER 109 -13.466 2.030 16.007 801 HA SER 109 HA SER 109 -15.058 -0.294 15.239 802 HB2 SER 109 1HB SER 109 -13.646 -0.810 17.051 803 HB3 SER 109 2HB SER 109 -13.982 0.719 17.863 804 HG SER 109 HG SER 109 -16.175 -0.905 17.416 805 H ASP 110 H ASP 110 -17.202 -0.254 15.123 806 HA ASP 110 HA ASP 110 -18.659 2.151 15.541 807 HB2 ASP 110 1HB ASP 110 -19.346 0.600 13.811 808 HB3 ASP 110 2HB ASP 110 -19.598 -0.673 15.003 809 H SER 111 H SER 111 -18.334 2.685 17.731 810 HA SER 111 HA SER 111 -19.665 0.915 19.670 811 HB2 SER 111 1HB SER 111 -17.354 1.321 20.259 812 HB3 SER 111 2HB SER 111 -17.573 3.062 20.085 813 HG SER 111 HG SER 111 -18.968 3.016 21.861 814 H GLY 112 H GLY 112 -21.673 1.891 18.680 815 HA2 GLY 112 1HA GLY 112 -23.000 3.523 20.421 816 HA3 GLY 112 2HA GLY 112 -22.263 4.639 19.282 817 HA PRO 113 HA PRO 113 -25.528 1.880 16.947 818 HB2 PRO 113 1HB PRO 113 -27.479 0.890 18.554 819 HB3 PRO 113 2HB PRO 113 -26.005 -0.006 18.168 820 HG2 PRO 113 1HG PRO 113 -26.669 1.586 20.615 821 HG3 PRO 113 2HG PRO 113 -25.879 0.003 20.490 822 HD2 PRO 113 1HD PRO 113 -24.495 2.296 20.892 823 HD3 PRO 113 2HD PRO 113 -23.830 0.927 19.977 824 H SER 114 H SER 114 -25.693 4.402 19.059 825 HA SER 114 HA SER 114 -26.920 6.325 19.065 826 HB2 SER 114 1HB SER 114 -27.061 5.878 16.564 827 HB3 SER 114 2HB SER 114 -28.632 5.141 16.876 828 HG SER 114 HG SER 114 -28.394 7.574 18.062 829 H SER 115 H SER 115 -27.493 4.376 20.908 830 HA SER 115 HA SER 115 -30.310 4.920 21.429 831 HB2 SER 115 1HB SER 115 -30.320 2.728 20.318 832 HB3 SER 115 2HB SER 115 -29.149 2.122 21.490 833 HG SER 115 HG SER 115 -31.608 3.214 22.332 834 H GLY 116 H GLY 116 -30.918 4.536 23.671 835 HA2 GLY 116 1HA GLY 116 -30.477 4.299 25.952 836 HA3 GLY 116 2HA GLY 116 -28.777 4.059 25.575 Start of MODEL 10 1 H1 GLY 1 H GLY 1 -3.822 -29.862 -12.246 2 HA2 GLY 1 1HA GLY 1 -4.428 -28.129 -10.449 3 HA3 GLY 1 2HA GLY 1 -4.820 -29.549 -9.492 4 H SER 2 H SER 2 -2.301 -27.549 -10.754 5 HA SER 2 HA SER 2 -0.386 -28.932 -9.019 6 HB2 SER 2 1HB SER 2 0.029 -28.258 -11.933 7 HB3 SER 2 2HB SER 2 1.369 -28.568 -10.829 8 HG SER 2 HG SER 2 -0.112 -30.570 -10.395 9 H SER 3 H SER 3 1.741 -27.550 -8.983 10 HA SER 3 HA SER 3 0.938 -24.918 -8.107 11 HB2 SER 3 1HB SER 3 2.579 -26.369 -6.860 12 HB3 SER 3 2HB SER 3 3.730 -26.079 -8.164 13 HG SER 3 HG SER 3 3.576 -23.845 -7.693 14 H GLY 4 H GLY 4 0.863 -23.221 -9.413 15 HA2 GLY 4 1HA GLY 4 3.024 -22.541 -11.150 16 HA3 GLY 4 2HA GLY 4 1.640 -23.132 -12.057 17 H SER 5 H SER 5 1.626 -21.205 -9.091 18 HA SER 5 HA SER 5 0.206 -19.100 -10.584 19 HB2 SER 5 1HB SER 5 -1.193 -20.148 -8.880 20 HB3 SER 5 2HB SER 5 0.031 -19.831 -7.650 21 HG SER 5 HG SER 5 -1.871 -18.171 -8.686 22 H SER 6 H SER 6 2.909 -19.012 -10.756 23 HA SER 6 HA SER 6 4.777 -17.770 -10.333 24 HB2 SER 6 1HB SER 6 4.424 -15.423 -10.241 25 HB3 SER 6 2HB SER 6 3.049 -16.069 -11.138 26 HG SER 6 HG SER 6 3.076 -14.694 -8.820 27 H GLY 7 H GLY 7 4.151 -19.462 -8.223 28 HA2 GLY 7 1HA GLY 7 4.162 -18.053 -5.725 29 HA3 GLY 7 2HA GLY 7 4.419 -19.777 -5.951 30 H ARG 8 H ARG 8 6.631 -19.966 -7.443 31 HA ARG 8 HA ARG 8 8.702 -19.467 -5.611 32 HB2 ARG 8 1HB ARG 8 8.873 -21.283 -7.193 33 HB3 ARG 8 2HB ARG 8 8.796 -20.165 -8.548 34 HG2 ARG 8 1HG ARG 8 10.943 -19.187 -7.814 35 HG3 ARG 8 2HG ARG 8 11.025 -20.406 -6.540 36 HD2 ARG 8 1HD ARG 8 10.602 -21.323 -9.335 37 HD3 ARG 8 2HD ARG 8 12.206 -20.746 -8.887 38 HE ARG 8 HE ARG 8 11.686 -22.478 -6.919 39 HH11 ARG 8 2HH1 ARG 8 11.349 -22.746 -10.373 40 HH12 ARG 8 1HH1 ARG 8 11.637 -24.454 -10.400 41 HH21 ARG 8 2HH2 ARG 8 12.067 -24.727 -6.941 42 HH22 ARG 8 1HH2 ARG 8 12.044 -25.580 -8.447 43 H VAL 9 H VAL 9 8.582 -17.227 -5.133 44 HA VAL 9 HA VAL 9 9.399 -15.403 -7.282 45 HB VAL 9 HB VAL 9 8.751 -13.582 -5.791 46 HG11 VAL 9 1HG1 VAL 9 6.672 -15.746 -6.083 47 HG12 VAL 9 2HG1 VAL 9 6.318 -14.068 -5.669 48 HG13 VAL 9 3HG1 VAL 9 7.038 -14.459 -7.231 49 HG21 VAL 9 1HG2 VAL 9 7.490 -14.244 -3.672 50 HG22 VAL 9 2HG2 VAL 9 8.273 -15.815 -3.838 51 HG23 VAL 9 3HG2 VAL 9 9.249 -14.361 -3.633 52 H GLU 10 H GLU 10 10.841 -13.541 -6.434 53 HA GLU 10 HA GLU 10 12.731 -14.235 -4.383 54 HB2 GLU 10 1HB GLU 10 13.569 -15.612 -6.229 55 HB3 GLU 10 2HB GLU 10 13.634 -14.195 -7.268 56 HG2 GLU 10 1HG GLU 10 15.837 -14.586 -6.548 57 HG3 GLU 10 2HG GLU 10 15.257 -13.202 -5.622 58 H THR 11 H THR 11 14.007 -12.501 -3.747 59 HA THR 11 HA THR 11 13.002 -9.915 -4.481 60 HB THR 11 HB THR 11 15.361 -10.546 -2.700 61 HG1 THR 11 1HG THR 11 13.949 -11.129 -1.241 62 HG21 THR 11 1HG2 THR 11 14.350 -8.109 -3.650 63 HG22 THR 11 2HG2 THR 11 15.512 -8.350 -2.345 64 HG23 THR 11 3HG2 THR 11 13.790 -8.243 -1.983 65 H GLN 12 H GLN 12 13.563 -9.451 -6.581 66 HA GLN 12 HA GLN 12 16.317 -9.691 -7.447 67 HB2 GLN 12 1HB GLN 12 13.862 -8.625 -8.850 68 HB3 GLN 12 2HB GLN 12 15.448 -8.779 -9.595 69 HG2 GLN 12 1HG GLN 12 15.345 -11.229 -9.100 70 HG3 GLN 12 2HG GLN 12 13.673 -10.990 -8.598 71 HE21 GLN 12 1HE2 GLN 12 15.248 -12.282 -10.959 72 HE22 GLN 12 2HE2 GLN 12 14.307 -11.820 -12.331 73 HA PRO 13 HA PRO 13 17.585 -5.602 -6.453 74 HB2 PRO 13 1HB PRO 13 19.478 -5.222 -8.362 75 HB3 PRO 13 2HB PRO 13 19.716 -6.288 -6.972 76 HG2 PRO 13 1HG PRO 13 18.950 -6.981 -9.781 77 HG3 PRO 13 2HG PRO 13 20.105 -7.789 -8.705 78 HD2 PRO 13 1HD PRO 13 17.596 -8.721 -9.112 79 HD3 PRO 13 2HD PRO 13 18.448 -8.917 -7.567 80 H GLU 14 H GLU 14 17.854 -3.415 -7.412 81 HA GLU 14 HA GLU 14 16.032 -3.031 -9.698 82 HB2 GLU 14 1HB GLU 14 15.330 -0.928 -8.709 83 HB3 GLU 14 2HB GLU 14 15.080 -2.238 -7.565 84 HG2 GLU 14 1HG GLU 14 17.550 -0.546 -7.491 85 HG3 GLU 14 2HG GLU 14 16.059 -0.048 -6.694 86 H VAL 15 H VAL 15 16.682 -1.747 -11.346 87 HA VAL 15 HA VAL 15 19.353 -0.521 -11.108 88 HB VAL 15 HB VAL 15 18.042 -1.666 -13.578 89 HG11 VAL 15 1HG1 VAL 15 20.471 -0.012 -13.150 90 HG12 VAL 15 2HG1 VAL 15 20.550 -1.303 -14.350 91 HG13 VAL 15 3HG1 VAL 15 19.337 -0.030 -14.500 92 HG21 VAL 15 1HG2 VAL 15 20.479 -2.928 -13.102 93 HG22 VAL 15 2HG2 VAL 15 19.703 -2.830 -11.522 94 HG23 VAL 15 3HG2 VAL 15 18.869 -3.608 -12.867 95 H GLN 16 H GLN 16 16.500 -0.271 -13.241 96 HA GLN 16 HA GLN 16 16.742 2.659 -13.044 97 HB2 GLN 16 1HB GLN 16 15.875 2.835 -15.286 98 HB3 GLN 16 2HB GLN 16 17.245 1.733 -15.296 99 HG2 GLN 16 1HG GLN 16 14.511 0.606 -14.996 100 HG3 GLN 16 2HG GLN 16 15.029 1.175 -16.582 101 HE21 GLN 16 1HE2 GLN 16 17.385 0.413 -17.073 102 HE22 GLN 16 2HE2 GLN 16 17.659 -1.274 -16.825 103 H LEU 17 H LEU 17 15.281 1.091 -11.186 104 HA LEU 17 HA LEU 17 12.482 1.552 -11.922 105 HB2 LEU 17 1HB LEU 17 13.864 -0.155 -9.909 106 HB3 LEU 17 2HB LEU 17 12.209 0.361 -9.592 107 HG LEU 17 HG LEU 17 12.304 -1.881 -10.569 108 HD11 LEU 17 1HD1 LEU 17 11.124 0.207 -12.395 109 HD12 LEU 17 2HD1 LEU 17 10.347 -0.511 -10.985 110 HD13 LEU 17 3HD1 LEU 17 10.708 -1.507 -12.395 111 HD21 LEU 17 1HD2 LEU 17 12.885 -1.886 -13.098 112 HD22 LEU 17 2HD2 LEU 17 14.185 -1.983 -11.910 113 HD23 LEU 17 3HD2 LEU 17 13.829 -0.449 -12.705 114 HA PRO 18 HA PRO 18 11.965 5.042 -9.314 115 HB2 PRO 18 1HB PRO 18 9.503 4.615 -8.253 116 HB3 PRO 18 2HB PRO 18 9.756 5.065 -9.944 117 HG2 PRO 18 1HG PRO 18 9.254 2.362 -8.758 118 HG3 PRO 18 2HG PRO 18 8.568 3.086 -10.225 119 HD2 PRO 18 1HD PRO 18 10.605 1.303 -10.295 120 HD3 PRO 18 2HD PRO 18 10.438 2.609 -11.486 121 H GLY 19 H GLY 19 11.308 5.702 -7.020 122 HA2 GLY 19 1HA GLY 19 12.542 3.783 -5.164 123 HA3 GLY 19 2HA GLY 19 12.439 5.521 -4.920 124 HA PRO 20 HA PRO 20 8.997 3.173 -2.663 125 HB2 PRO 20 1HB PRO 20 9.880 3.599 -0.132 126 HB3 PRO 20 2HB PRO 20 10.343 2.184 -1.085 127 HG2 PRO 20 1HG PRO 20 11.860 4.718 -0.599 128 HG3 PRO 20 2HG PRO 20 12.446 3.045 -0.591 129 HD2 PRO 20 1HD PRO 20 12.800 4.702 -2.703 130 HD3 PRO 20 2HD PRO 20 12.585 2.950 -2.890 131 H ALA 21 H ALA 21 7.356 4.578 -2.857 132 HA ALA 21 HA ALA 21 7.307 7.284 -2.687 133 HB1 ALA 21 1HB ALA 21 5.211 5.266 -1.959 134 HB2 ALA 21 2HB ALA 21 4.892 6.999 -1.876 135 HB3 ALA 21 3HB ALA 21 5.340 6.257 -3.412 136 HA PRO 22 HA PRO 22 8.519 7.919 1.587 137 HB2 PRO 22 1HB PRO 22 8.763 10.613 1.364 138 HB3 PRO 22 2HB PRO 22 10.000 9.486 0.794 139 HG2 PRO 22 1HG PRO 22 7.869 10.906 -0.758 140 HG3 PRO 22 2HG PRO 22 9.575 10.652 -1.173 141 HD2 PRO 22 1HD PRO 22 7.582 9.141 -2.212 142 HD3 PRO 22 2HD PRO 22 9.207 8.496 -1.901 143 H ASN 23 H ASN 23 7.799 9.869 3.145 144 HA ASN 23 HA ASN 23 6.019 10.292 4.563 145 HB2 ASN 23 1HB ASN 23 5.696 11.799 2.017 146 HB3 ASN 23 2HB ASN 23 4.361 11.860 3.164 147 HD21 ASN 23 1HD2 ASN 23 7.798 11.616 3.880 148 HD22 ASN 23 2HD2 ASN 23 7.922 13.135 4.694 149 H LEU 24 H LEU 24 5.610 7.765 3.860 150 HA LEU 24 HA LEU 24 3.012 7.425 2.630 151 HB2 LEU 24 1HB LEU 24 4.681 5.771 2.164 152 HB3 LEU 24 2HB LEU 24 4.948 5.488 3.883 153 HG LEU 24 HG LEU 24 2.511 4.683 3.929 154 HD11 LEU 24 1HD1 LEU 24 1.631 5.388 1.888 155 HD12 LEU 24 2HD1 LEU 24 1.904 3.661 1.660 156 HD13 LEU 24 3HD1 LEU 24 3.037 4.830 0.981 157 HD21 LEU 24 1HD2 LEU 24 4.887 3.301 2.804 158 HD22 LEU 24 2HD2 LEU 24 3.332 2.471 2.732 159 HD23 LEU 24 3HD2 LEU 24 3.988 2.983 4.288 160 H ARG 25 H ARG 25 1.343 8.096 3.842 161 HA ARG 25 HA ARG 25 1.235 7.206 6.648 162 HB2 ARG 25 1HB ARG 25 -0.530 9.394 5.652 163 HB3 ARG 25 2HB ARG 25 0.158 9.149 7.251 164 HG2 ARG 25 1HG ARG 25 1.868 9.882 4.901 165 HG3 ARG 25 2HG ARG 25 1.030 11.102 5.864 166 HD2 ARG 25 1HD ARG 25 2.822 9.027 7.097 167 HD3 ARG 25 2HD ARG 25 3.437 10.570 6.504 168 HE ARG 25 HE ARG 25 1.866 10.117 8.883 169 HH11 ARG 25 2HH1 ARG 25 2.956 12.438 6.528 170 HH12 ARG 25 1HH1 ARG 25 2.723 13.802 7.572 171 HH21 ARG 25 2HH2 ARG 25 1.555 11.904 10.266 172 HH22 ARG 25 1HH2 ARG 25 1.927 13.497 9.698 173 H ALA 26 H ALA 26 -1.063 6.924 7.457 174 HA ALA 26 HA ALA 26 -3.108 6.262 5.577 175 HB1 ALA 26 1HB ALA 26 -2.372 3.824 7.054 176 HB2 ALA 26 2HB ALA 26 -2.973 4.020 5.407 177 HB3 ALA 26 3HB ALA 26 -1.268 4.297 5.762 178 H TYR 27 H TYR 27 -5.001 6.563 6.555 179 HA TYR 27 HA TYR 27 -5.275 5.957 9.403 180 HB2 TYR 27 1HB TYR 27 -6.524 8.166 9.664 181 HB3 TYR 27 2HB TYR 27 -4.771 8.264 9.537 182 HD1 TYR 27 2HD TYR 27 -3.732 9.029 7.410 183 HD2 TYR 27 1HD TYR 27 -7.939 9.164 8.029 184 HE1 TYR 27 2HE TYR 27 -3.952 10.602 5.531 185 HE2 TYR 27 1HE TYR 27 -8.171 10.736 6.151 186 HH TYR 27 HH TYR 27 -6.783 12.363 4.930 187 H ALA 28 H ALA 28 -7.332 5.382 10.038 188 HA ALA 28 HA ALA 28 -9.120 4.605 7.900 189 HB1 ALA 28 1HB ALA 28 -8.495 3.557 10.391 190 HB2 ALA 28 2HB ALA 28 -10.145 4.155 10.567 191 HB3 ALA 28 3HB ALA 28 -9.759 2.995 9.296 192 H ALA 29 H ALA 29 -10.369 6.169 7.080 193 HA ALA 29 HA ALA 29 -11.282 8.415 8.575 194 HB1 ALA 29 1HB ALA 29 -12.403 9.094 6.592 195 HB2 ALA 29 2HB ALA 29 -10.871 8.372 6.099 196 HB3 ALA 29 3HB ALA 29 -12.369 7.457 5.937 197 H SER 30 H SER 30 -12.710 5.342 7.619 198 HA SER 30 HA SER 30 -14.864 5.796 9.542 199 HB2 SER 30 1HB SER 30 -15.198 5.468 6.606 200 HB3 SER 30 2HB SER 30 -16.330 4.595 7.639 201 HG SER 30 HG SER 30 -15.871 7.380 7.488 202 HA PRO 31 HA PRO 31 -14.326 1.577 10.614 203 HB2 PRO 31 1HB PRO 31 -16.865 0.750 11.100 204 HB3 PRO 31 2HB PRO 31 -15.991 1.851 12.173 205 HG2 PRO 31 1HG PRO 31 -18.033 2.474 10.074 206 HG3 PRO 31 2HG PRO 31 -17.868 3.143 11.708 207 HD2 PRO 31 1HD PRO 31 -17.017 4.462 9.502 208 HD3 PRO 31 2HD PRO 31 -16.209 4.612 11.076 209 H THR 32 H THR 32 -15.671 2.429 7.722 210 HA THR 32 HA THR 32 -15.852 -0.382 6.856 211 HB THR 32 HB THR 32 -17.537 0.256 5.199 212 HG1 THR 32 1HG THR 32 -17.234 2.385 4.799 213 HG21 THR 32 1HG2 THR 32 -19.329 1.062 6.951 214 HG22 THR 32 2HG2 THR 32 -18.033 0.736 8.102 215 HG23 THR 32 3HG2 THR 32 -18.628 -0.553 7.056 216 H SER 33 H SER 33 -14.561 2.759 6.352 217 HA SER 33 HA SER 33 -13.188 1.793 3.932 218 HB2 SER 33 1HB SER 33 -13.529 3.771 2.798 219 HB3 SER 33 2HB SER 33 -15.017 3.707 3.742 220 HG SER 33 HG SER 33 -14.410 5.453 4.724 221 H ILE 34 H ILE 34 -11.182 3.197 3.485 222 HA ILE 34 HA ILE 34 -9.898 4.193 5.900 223 HB ILE 34 HB ILE 34 -8.746 1.909 4.295 224 HG12 ILE 34 1HG1 ILE 34 -9.452 2.048 7.232 225 HG13 ILE 34 2HG1 ILE 34 -10.497 1.343 6.003 226 HG21 ILE 34 1HG2 ILE 34 -7.480 3.955 5.906 227 HG22 ILE 34 2HG2 ILE 34 -7.150 2.336 6.519 228 HG23 ILE 34 3HG2 ILE 34 -6.757 2.744 4.849 229 HD11 ILE 34 1HD1 ILE 34 -9.343 -0.558 5.966 230 HD12 ILE 34 2HD1 ILE 34 -7.789 0.277 5.964 231 HD13 ILE 34 3HD1 ILE 34 -8.639 -0.001 7.483 232 H THR 35 H THR 35 -8.777 5.967 5.446 233 HA THR 35 HA THR 35 -8.234 6.615 2.651 234 HB THR 35 HB THR 35 -8.078 8.331 5.136 235 HG1 THR 35 1HG THR 35 -9.874 9.335 3.691 236 HG21 THR 35 1HG2 THR 35 -7.463 8.898 2.254 237 HG22 THR 35 2HG2 THR 35 -6.527 9.309 3.691 238 HG23 THR 35 3HG2 THR 35 -8.019 10.178 3.332 239 H VAL 36 H VAL 36 -6.269 6.498 1.785 240 HA VAL 36 HA VAL 36 -3.941 6.411 3.590 241 HB VAL 36 HB VAL 36 -4.235 4.873 1.007 242 HG11 VAL 36 1HG1 VAL 36 -2.177 3.710 2.214 243 HG12 VAL 36 2HG1 VAL 36 -1.975 5.114 1.164 244 HG13 VAL 36 3HG1 VAL 36 -2.007 5.318 2.916 245 HG21 VAL 36 1HG2 VAL 36 -3.911 3.352 3.473 246 HG22 VAL 36 2HG2 VAL 36 -5.418 4.266 3.411 247 HG23 VAL 36 3HG2 VAL 36 -5.033 3.113 2.133 248 H THR 37 H THR 37 -2.249 7.691 3.090 249 HA THR 37 HA THR 37 -2.256 9.047 0.479 250 HB THR 37 HB THR 37 -1.662 11.155 1.485 251 HG1 THR 37 1HG THR 37 -0.890 9.690 3.518 252 HG21 THR 37 1HG2 THR 37 -3.804 11.659 1.860 253 HG22 THR 37 2HG2 THR 37 -3.838 10.689 3.333 254 HG23 THR 37 3HG2 THR 37 -4.150 9.932 1.771 255 H TRP 38 H TRP 38 -0.286 9.362 -0.459 256 HA TRP 38 HA TRP 38 2.126 8.781 1.087 257 HB2 TRP 38 1HB TRP 38 2.967 7.272 -0.694 258 HB3 TRP 38 2HB TRP 38 1.539 6.634 0.117 259 HD1 TRP 38 HD TRP 38 2.703 8.024 -3.249 260 HE1 TRP 38 1HE TRP 38 0.935 7.455 -5.031 261 HE3 TRP 38 3HE TRP 38 -0.952 6.159 -0.200 262 HZ2 TRP 38 2HZ TRP 38 -1.665 6.360 -5.131 263 HZ3 TRP 38 3HZ TRP 38 -3.050 5.372 -1.218 264 HH2 TRP 38 HH TRP 38 -3.397 5.472 -3.632 265 H GLU 39 H GLU 39 4.126 9.306 -0.178 266 HA GLU 39 HA GLU 39 3.616 11.656 -1.875 267 HB2 GLU 39 1HB GLU 39 5.695 11.020 0.162 268 HB3 GLU 39 2HB GLU 39 6.160 12.034 -1.197 269 HG2 GLU 39 1HG GLU 39 3.960 12.573 0.782 270 HG3 GLU 39 2HG GLU 39 5.505 13.412 0.658 271 H THR 40 H THR 40 5.299 12.105 -3.530 272 HA THR 40 HA THR 40 5.834 9.679 -5.029 273 HB THR 40 HB THR 40 6.295 12.574 -5.774 274 HG1 THR 40 1HG THR 40 4.056 11.754 -5.505 275 HG21 THR 40 1HG2 THR 40 7.747 10.877 -6.946 276 HG22 THR 40 2HG2 THR 40 6.704 11.830 -8.000 277 HG23 THR 40 3HG2 THR 40 6.267 10.171 -7.594 278 HA PRO 41 HA PRO 41 10.042 9.392 -3.684 279 HB2 PRO 41 1HB PRO 41 10.868 7.585 -5.535 280 HB3 PRO 41 2HB PRO 41 9.865 7.148 -4.146 281 HG2 PRO 41 1HG PRO 41 9.054 7.662 -6.982 282 HG3 PRO 41 2HG PRO 41 8.515 6.383 -5.878 283 HD2 PRO 41 1HD PRO 41 7.043 8.603 -6.365 284 HD3 PRO 41 2HD PRO 41 7.025 7.769 -4.797 285 H VAL 42 H VAL 42 11.367 11.057 -4.072 286 HA VAL 42 HA VAL 42 11.609 12.432 -6.503 287 HB VAL 42 HB VAL 42 13.522 13.556 -5.540 288 HG11 VAL 42 1HG1 VAL 42 11.387 12.986 -3.487 289 HG12 VAL 42 2HG1 VAL 42 12.529 14.329 -3.419 290 HG13 VAL 42 3HG1 VAL 42 11.348 14.240 -4.726 291 HG21 VAL 42 1HG2 VAL 42 13.531 11.218 -3.669 292 HG22 VAL 42 2HG2 VAL 42 14.863 11.907 -4.597 293 HG23 VAL 42 3HG2 VAL 42 14.235 12.761 -3.187 294 H SER 43 H SER 43 13.624 9.898 -5.057 295 HA SER 43 HA SER 43 15.477 9.884 -7.254 296 HB2 SER 43 1HB SER 43 16.581 8.096 -6.098 297 HB3 SER 43 2HB SER 43 16.064 9.260 -4.878 298 HG SER 43 HG SER 43 15.446 7.296 -4.120 299 H GLY 44 H GLY 44 15.685 8.356 -8.876 300 HA2 GLY 44 1HA GLY 44 15.009 6.148 -9.747 301 HA3 GLY 44 2HA GLY 44 13.385 6.528 -9.195 302 H ASN 45 H ASN 45 13.826 5.738 -11.789 303 HA ASN 45 HA ASN 45 14.351 7.600 -13.725 304 HB2 ASN 45 1HB ASN 45 13.898 5.474 -14.550 305 HB3 ASN 45 2HB ASN 45 12.427 5.306 -13.596 306 HD21 ASN 45 1HD2 ASN 45 13.822 7.166 -16.260 307 HD22 ASN 45 2HD2 ASN 45 12.348 7.337 -17.143 308 H GLY 46 H GLY 46 11.217 7.059 -12.120 309 HA2 GLY 46 1HA GLY 46 9.699 8.753 -11.515 310 HA3 GLY 46 2HA GLY 46 10.554 9.866 -12.574 311 H GLU 47 H GLU 47 8.667 10.587 -13.570 312 HA GLU 47 HA GLU 47 6.831 10.528 -14.942 313 HB2 GLU 47 1HB GLU 47 8.912 8.874 -16.341 314 HB3 GLU 47 2HB GLU 47 7.342 9.157 -17.081 315 HG2 GLU 47 1HG GLU 47 7.816 11.640 -16.690 316 HG3 GLU 47 2HG GLU 47 9.483 11.140 -16.416 317 H ILE 48 H ILE 48 6.440 8.824 -12.812 318 HA ILE 48 HA ILE 48 5.831 6.178 -13.333 319 HB ILE 48 HB ILE 48 4.267 8.021 -11.523 320 HG12 ILE 48 1HG1 ILE 48 6.688 8.088 -11.061 321 HG13 ILE 48 2HG1 ILE 48 5.801 7.308 -9.757 322 HG21 ILE 48 1HG2 ILE 48 3.556 6.083 -10.362 323 HG22 ILE 48 2HG2 ILE 48 3.274 5.772 -12.075 324 HG23 ILE 48 3HG2 ILE 48 4.665 5.051 -11.265 325 HD11 ILE 48 1HD1 ILE 48 7.930 6.193 -10.359 326 HD12 ILE 48 2HD1 ILE 48 6.515 5.148 -10.484 327 HD13 ILE 48 3HD1 ILE 48 7.241 5.826 -11.940 328 H GLN 49 H GLN 49 4.319 5.148 -14.474 329 HA GLN 49 HA GLN 49 2.442 6.674 -16.037 330 HB2 GLN 49 1HB GLN 49 2.932 3.698 -15.842 331 HB3 GLN 49 2HB GLN 49 1.822 4.451 -16.979 332 HG2 GLN 49 1HG GLN 49 3.855 5.797 -17.769 333 HG3 GLN 49 2HG GLN 49 4.809 4.597 -16.897 334 HE21 GLN 49 1HE2 GLN 49 5.190 4.869 -19.549 335 HE22 GLN 49 2HE2 GLN 49 4.546 3.510 -20.399 336 H ASN 50 H ASN 50 2.243 4.225 -13.476 337 HA ASN 50 HA ASN 50 -0.265 5.329 -12.575 338 HB2 ASN 50 1HB ASN 50 -0.933 3.756 -14.401 339 HB3 ASN 50 2HB ASN 50 -0.194 2.445 -13.486 340 HD21 ASN 50 1HD2 ASN 50 -2.462 5.124 -12.952 341 HD22 ASN 50 2HD2 ASN 50 -3.594 4.203 -12.027 342 H TYR 51 H TYR 51 -0.660 4.902 -10.442 343 HA TYR 51 HA TYR 51 1.485 3.543 -9.004 344 HB2 TYR 51 1HB TYR 51 -0.611 5.544 -8.270 345 HB3 TYR 51 2HB TYR 51 0.078 4.535 -7.004 346 HD1 TYR 51 1HD TYR 51 2.806 4.369 -7.291 347 HD2 TYR 51 2HD TYR 51 0.333 7.630 -8.455 348 HE1 TYR 51 1HE TYR 51 4.738 5.883 -7.130 349 HE2 TYR 51 2HE TYR 51 2.258 9.153 -8.298 350 HH TYR 51 HH TYR 51 4.382 9.367 -7.570 351 H LYS 52 H LYS 52 1.262 1.629 -8.037 352 HA LYS 52 HA LYS 52 -1.377 0.352 -8.109 353 HB2 LYS 52 1HB LYS 52 0.747 -0.682 -9.155 354 HB3 LYS 52 2HB LYS 52 1.214 -1.046 -7.499 355 HG2 LYS 52 1HG LYS 52 0.169 -2.990 -8.002 356 HG3 LYS 52 2HG LYS 52 -1.231 -2.074 -7.439 357 HD2 LYS 52 1HD LYS 52 -0.367 -2.334 -10.320 358 HD3 LYS 52 2HD LYS 52 -1.660 -3.265 -9.559 359 HE2 LYS 52 1HE LYS 52 -2.759 -1.071 -8.999 360 HE3 LYS 52 2HE LYS 52 -1.554 -0.291 -10.023 361 HZ1 LYS 52 1HZ LYS 52 -3.942 -1.573 -10.784 362 HZ2 LYS 52 2HZ LYS 52 -2.638 -2.390 -11.486 363 HZ3 LYS 52 3HZ LYS 52 -2.839 -0.732 -11.753 364 H LEU 53 H LEU 53 -2.512 0.154 -6.301 365 HA LEU 53 HA LEU 53 -1.082 0.270 -3.727 366 HB2 LEU 53 1HB LEU 53 -2.390 2.210 -3.850 367 HB3 LEU 53 2HB LEU 53 -3.749 1.350 -4.571 368 HG LEU 53 HG LEU 53 -4.029 0.177 -2.352 369 HD11 LEU 53 1HD1 LEU 53 -3.072 1.425 -0.403 370 HD12 LEU 53 2HD1 LEU 53 -2.020 2.267 -1.541 371 HD13 LEU 53 3HD1 LEU 53 -1.896 0.518 -1.355 372 HD21 LEU 53 1HD2 LEU 53 -5.073 2.193 -1.280 373 HD22 LEU 53 2HD2 LEU 53 -5.562 1.893 -2.948 374 HD23 LEU 53 3HD2 LEU 53 -4.386 3.158 -2.587 375 H TYR 54 H TYR 54 -1.241 -1.445 -2.441 376 HA TYR 54 HA TYR 54 -3.262 -3.482 -3.092 377 HB2 TYR 54 1HB TYR 54 -0.650 -3.819 -1.602 378 HB3 TYR 54 2HB TYR 54 -1.764 -5.107 -2.048 379 HD1 TYR 54 2HD TYR 54 -0.043 -2.267 -3.780 380 HD2 TYR 54 1HD TYR 54 -1.088 -6.391 -3.830 381 HE1 TYR 54 2HE TYR 54 1.133 -2.533 -5.924 382 HE2 TYR 54 1HE TYR 54 0.086 -6.669 -5.973 383 HH TYR 54 HH TYR 54 2.202 -5.159 -7.121 384 H TYR 55 H TYR 55 -4.114 -4.742 -1.265 385 HA TYR 55 HA TYR 55 -3.941 -3.668 1.388 386 HB2 TYR 55 1HB TYR 55 -6.226 -2.918 1.616 387 HB3 TYR 55 2HB TYR 55 -5.478 -2.048 0.281 388 HD1 TYR 55 1HD TYR 55 -5.991 -2.789 -2.083 389 HD2 TYR 55 2HD TYR 55 -8.177 -4.194 1.286 390 HE1 TYR 55 1HE TYR 55 -7.822 -3.487 -3.569 391 HE2 TYR 55 2HE TYR 55 -10.014 -4.897 -0.191 392 HH TYR 55 HH TYR 55 -9.697 -4.891 -3.648 393 H MET 56 H MET 56 -4.589 -5.127 2.902 394 HA MET 56 HA MET 56 -6.367 -7.296 2.262 395 HB2 MET 56 1HB MET 56 -4.912 -9.066 2.197 396 HB3 MET 56 2HB MET 56 -3.908 -7.832 1.447 397 HG2 MET 56 1HG MET 56 -3.052 -7.396 3.837 398 HG3 MET 56 2HG MET 56 -3.747 -8.972 4.204 399 HE1 MET 56 1HE MET 56 -0.366 -9.973 4.432 400 HE2 MET 56 2HE MET 56 -2.037 -9.978 4.993 401 HE3 MET 56 3HE MET 56 -1.478 -11.225 3.878 402 H GLU 57 H GLU 57 -6.736 -8.720 4.144 403 HA GLU 57 HA GLU 57 -6.717 -7.147 6.576 404 HB2 GLU 57 1HB GLU 57 -8.680 -8.551 5.680 405 HB3 GLU 57 2HB GLU 57 -7.800 -9.940 6.300 406 HG2 GLU 57 1HG GLU 57 -7.771 -8.751 8.534 407 HG3 GLU 57 2HG GLU 57 -8.940 -7.630 7.838 408 H LYS 58 H LYS 58 -5.447 -7.455 8.302 409 HA LYS 58 HA LYS 58 -3.084 -8.910 8.167 410 HB2 LYS 58 1HB LYS 58 -3.884 -7.011 9.798 411 HB3 LYS 58 2HB LYS 58 -4.358 -8.362 10.819 412 HG2 LYS 58 1HG LYS 58 -2.239 -7.889 11.581 413 HG3 LYS 58 2HG LYS 58 -1.935 -9.188 10.426 414 HD2 LYS 58 1HD LYS 58 -1.368 -7.510 8.718 415 HD3 LYS 58 2HD LYS 58 -1.631 -6.230 9.905 416 HE2 LYS 58 1HE LYS 58 0.701 -6.594 9.847 417 HE3 LYS 58 2HE LYS 58 0.127 -7.368 11.323 418 HZ1 LYS 58 1HZ LYS 58 1.272 -8.553 8.935 419 HZ2 LYS 58 2HZ LYS 58 -0.037 -9.391 9.602 420 HZ3 LYS 58 3HZ LYS 58 1.335 -9.078 10.542 421 H GLY 59 H GLY 59 -3.249 -11.050 7.661 422 HA2 GLY 59 1HA GLY 59 -3.129 -13.197 8.854 423 HA3 GLY 59 2HA GLY 59 -4.624 -12.741 9.657 424 H THR 60 H THR 60 -3.774 -12.472 6.228 425 HA THR 60 HA THR 60 -5.810 -14.503 5.617 426 HB THR 60 HB THR 60 -5.574 -12.147 3.802 427 HG1 THR 60 1HG THR 60 -6.242 -10.853 5.330 428 HG21 THR 60 1HG2 THR 60 -7.675 -12.770 3.082 429 HG22 THR 60 2HG2 THR 60 -8.105 -13.500 4.629 430 HG23 THR 60 3HG2 THR 60 -6.998 -14.333 3.537 431 H ASP 61 H ASP 61 -2.939 -12.740 4.635 432 HA ASP 61 HA ASP 61 -1.189 -13.324 3.300 433 HB2 ASP 61 1HB ASP 61 -1.512 -15.564 4.444 434 HB3 ASP 61 2HB ASP 61 -2.455 -16.052 3.039 435 H LYS 62 H LYS 62 -3.820 -12.357 2.278 436 HA LYS 62 HA LYS 62 -3.244 -12.782 -0.539 437 HB2 LYS 62 1HB LYS 62 -5.702 -13.754 0.828 438 HB3 LYS 62 2HB LYS 62 -5.896 -13.019 -0.758 439 HG2 LYS 62 1HG LYS 62 -3.817 -15.116 -0.406 440 HG3 LYS 62 2HG LYS 62 -5.513 -15.600 -0.485 441 HD2 LYS 62 1HD LYS 62 -5.735 -14.962 -2.669 442 HD3 LYS 62 2HD LYS 62 -4.512 -13.695 -2.536 443 HE2 LYS 62 1HE LYS 62 -3.733 -16.577 -2.330 444 HE3 LYS 62 2HE LYS 62 -3.999 -15.841 -3.910 445 HZ1 LYS 62 1HZ LYS 62 -2.378 -14.087 -3.191 446 HZ2 LYS 62 2HZ LYS 62 -1.716 -15.624 -3.438 447 HZ3 LYS 62 3HZ LYS 62 -1.999 -15.068 -1.866 448 H GLU 63 H GLU 63 -2.909 -10.730 -1.120 449 HA GLU 63 HA GLU 63 -4.786 -8.674 -0.171 450 HB2 GLU 63 1HB GLU 63 -3.100 -7.114 -0.278 451 HB3 GLU 63 2HB GLU 63 -2.172 -8.556 0.110 452 HG2 GLU 63 1HG GLU 63 -2.032 -8.735 -2.522 453 HG3 GLU 63 2HG GLU 63 -2.296 -6.996 -2.407 454 H GLN 64 H GLN 64 -5.432 -7.003 -1.697 455 HA GLN 64 HA GLN 64 -5.769 -8.110 -4.399 456 HB2 GLN 64 1HB GLN 64 -7.408 -6.036 -2.934 457 HB3 GLN 64 2HB GLN 64 -7.716 -6.596 -4.573 458 HG2 GLN 64 1HG GLN 64 -8.237 -8.792 -3.799 459 HG3 GLN 64 2HG GLN 64 -7.719 -8.393 -2.162 460 HE21 GLN 64 1HE2 GLN 64 -9.223 -7.773 -0.781 461 HE22 GLN 64 2HE2 GLN 64 -10.813 -7.235 -1.189 462 H ASP 65 H ASP 65 -6.131 -6.293 -6.086 463 HA ASP 65 HA ASP 65 -4.164 -4.146 -5.658 464 HB2 ASP 65 1HB ASP 65 -3.112 -4.524 -7.704 465 HB3 ASP 65 2HB ASP 65 -3.405 -6.158 -7.114 466 H VAL 66 H VAL 66 -4.892 -2.173 -6.118 467 HA VAL 66 HA VAL 66 -7.238 -1.920 -7.883 468 HB VAL 66 HB VAL 66 -8.025 -0.045 -6.482 469 HG11 VAL 66 1HG1 VAL 66 -9.292 -1.767 -5.805 470 HG12 VAL 66 2HG1 VAL 66 -7.906 -2.846 -5.628 471 HG13 VAL 66 3HG1 VAL 66 -8.309 -1.707 -4.343 472 HG21 VAL 66 1HG2 VAL 66 -7.087 0.285 -4.248 473 HG22 VAL 66 2HG2 VAL 66 -5.843 -0.919 -4.588 474 HG23 VAL 66 3HG2 VAL 66 -5.881 0.591 -5.498 475 H ASP 67 H ASP 67 -7.027 -0.508 -9.499 476 HA ASP 67 HA ASP 67 -4.556 0.863 -9.900 477 HB2 ASP 67 1HB ASP 67 -7.101 0.546 -11.420 478 HB3 ASP 67 2HB ASP 67 -6.051 1.895 -11.845 479 H VAL 68 H VAL 68 -4.007 2.736 -9.025 480 HA VAL 68 HA VAL 68 -6.134 4.688 -8.421 481 HB VAL 68 HB VAL 68 -3.530 4.274 -6.945 482 HG11 VAL 68 1HG1 VAL 68 -5.601 5.996 -5.782 483 HG12 VAL 68 2HG1 VAL 68 -3.850 6.206 -5.843 484 HG13 VAL 68 3HG1 VAL 68 -4.840 6.636 -7.238 485 HG21 VAL 68 1HG2 VAL 68 -5.507 3.972 -5.115 486 HG22 VAL 68 2HG2 VAL 68 -6.270 3.287 -6.549 487 HG23 VAL 68 3HG2 VAL 68 -4.734 2.639 -5.973 488 H SER 69 H SER 69 -5.951 6.673 -9.270 489 HA SER 69 HA SER 69 -3.433 7.342 -10.648 490 HB2 SER 69 1HB SER 69 -6.301 7.885 -11.394 491 HB3 SER 69 2HB SER 69 -4.978 8.831 -12.077 492 HG SER 69 HG SER 69 -5.838 6.417 -12.805 493 H SER 70 H SER 70 -3.434 7.984 -8.069 494 HA SER 70 HA SER 70 -3.227 10.827 -8.100 495 HB2 SER 70 1HB SER 70 -5.458 9.573 -6.491 496 HB3 SER 70 2HB SER 70 -4.841 11.198 -6.194 497 HG SER 70 HG SER 70 -6.652 10.448 -7.966 498 H HIS 71 H HIS 71 -2.943 11.554 -5.613 499 HA HIS 71 HA HIS 71 -0.748 9.921 -4.658 500 HB2 HIS 71 1HB HIS 71 -1.800 12.649 -3.955 501 HB3 HIS 71 2HB HIS 71 -0.614 11.847 -2.930 502 HD1 HIS 71 1HD HIS 71 -0.557 14.377 -5.211 503 HD2 HIS 71 2HD HIS 71 1.521 10.783 -5.054 504 HE1 HIS 71 1HE HIS 71 1.490 14.721 -6.631 505 HE2 HIS 71 2HE HIS 71 2.688 12.506 -6.589 506 H SER 72 H SER 72 -3.993 10.808 -3.678 507 HA SER 72 HA SER 72 -3.745 8.957 -1.398 508 HB2 SER 72 1HB SER 72 -5.311 10.325 -0.144 509 HB3 SER 72 2HB SER 72 -3.969 11.334 -0.684 510 HG SER 72 HG SER 72 -5.311 12.050 -2.399 511 H TYR 73 H TYR 73 -5.394 7.510 -1.060 512 HA TYR 73 HA TYR 73 -7.667 7.572 -2.916 513 HB2 TYR 73 1HB TYR 73 -5.898 6.046 -3.802 514 HB3 TYR 73 2HB TYR 73 -6.045 5.087 -2.334 515 HD1 TYR 73 2HD TYR 73 -7.811 6.169 -5.393 516 HD2 TYR 73 1HD TYR 73 -7.821 3.528 -2.056 517 HE1 TYR 73 2HE TYR 73 -9.630 4.877 -6.428 518 HE2 TYR 73 1HE TYR 73 -9.639 2.228 -3.083 519 HH TYR 73 HH TYR 73 -11.605 3.056 -5.057 520 H THR 74 H THR 74 -9.463 6.197 -2.241 521 HA THR 74 HA THR 74 -9.488 5.709 0.666 522 HB THR 74 HB THR 74 -11.785 6.785 -0.982 523 HG1 THR 74 1HG THR 74 -10.030 8.286 -0.464 524 HG21 THR 74 1HG2 THR 74 -12.079 5.245 1.172 525 HG22 THR 74 2HG2 THR 74 -13.131 6.626 0.855 526 HG23 THR 74 3HG2 THR 74 -11.788 6.781 1.988 527 H ILE 75 H ILE 75 -9.656 3.599 1.016 528 HA ILE 75 HA ILE 75 -11.051 1.915 -0.927 529 HB ILE 75 HB ILE 75 -9.253 1.205 1.390 530 HG12 ILE 75 1HG1 ILE 75 -8.882 0.827 -1.588 531 HG13 ILE 75 2HG1 ILE 75 -8.179 2.145 -0.657 532 HG21 ILE 75 1HG2 ILE 75 -11.100 -0.434 1.035 533 HG22 ILE 75 2HG2 ILE 75 -10.492 -0.685 -0.600 534 HG23 ILE 75 3HG2 ILE 75 -9.485 -1.097 0.787 535 HD11 ILE 75 1HD1 ILE 75 -6.711 0.129 -1.182 536 HD12 ILE 75 2HD1 ILE 75 -6.730 0.719 0.480 537 HD13 ILE 75 3HD1 ILE 75 -7.655 -0.718 0.044 538 H ASN 76 H ASN 76 -13.177 1.788 -0.571 539 HA ASN 76 HA ASN 76 -14.155 1.623 2.190 540 HB2 ASN 76 1HB ASN 76 -16.421 1.956 1.035 541 HB3 ASN 76 2HB ASN 76 -15.312 3.324 1.036 542 HD21 ASN 76 1HD2 ASN 76 -14.567 4.113 -0.857 543 HD22 ASN 76 2HD2 ASN 76 -15.031 3.509 -2.408 544 H GLY 77 H GLY 77 -16.225 0.210 2.366 545 HA2 GLY 77 1HA GLY 77 -17.289 -1.833 2.090 546 HA3 GLY 77 2HA GLY 77 -16.271 -2.139 0.691 547 H LEU 78 H LEU 78 -15.463 -1.492 4.094 548 HA LEU 78 HA LEU 78 -14.135 -4.120 4.177 549 HB2 LEU 78 1HB LEU 78 -13.159 -1.638 5.572 550 HB3 LEU 78 2HB LEU 78 -12.344 -3.196 5.462 551 HG LEU 78 HG LEU 78 -12.860 -1.383 3.108 552 HD11 LEU 78 1HD1 LEU 78 -10.506 -0.795 3.242 553 HD12 LEU 78 2HD1 LEU 78 -10.331 -1.764 4.704 554 HD13 LEU 78 3HD1 LEU 78 -11.349 -0.325 4.717 555 HD21 LEU 78 1HD2 LEU 78 -11.517 -2.834 1.862 556 HD22 LEU 78 2HD2 LEU 78 -12.562 -3.906 2.795 557 HD23 LEU 78 3HD2 LEU 78 -10.893 -3.641 3.301 558 H LYS 79 H LYS 79 -13.883 -5.023 6.344 559 HA LYS 79 HA LYS 79 -16.299 -4.862 7.828 560 HB2 LYS 79 1HB LYS 79 -13.693 -6.152 8.654 561 HB3 LYS 79 2HB LYS 79 -15.288 -6.496 9.309 562 HG2 LYS 79 1HG LYS 79 -15.936 -7.706 7.475 563 HG3 LYS 79 2HG LYS 79 -14.825 -6.863 6.392 564 HD2 LYS 79 1HD LYS 79 -13.032 -8.167 6.997 565 HD3 LYS 79 2HD LYS 79 -13.698 -8.530 8.591 566 HE2 LYS 79 1HE LYS 79 -13.906 -10.547 7.453 567 HE3 LYS 79 2HE LYS 79 -15.509 -9.828 7.297 568 HZ1 LYS 79 1HZ LYS 79 -13.584 -9.230 5.191 569 HZ2 LYS 79 2HZ LYS 79 -15.250 -9.503 5.089 570 HZ3 LYS 79 3HZ LYS 79 -14.186 -10.810 5.241 571 H LYS 80 H LYS 80 -16.194 -4.638 10.301 572 HA LYS 80 HA LYS 80 -14.832 -2.106 10.891 573 HB2 LYS 80 1HB LYS 80 -17.096 -3.419 12.402 574 HB3 LYS 80 2HB LYS 80 -16.473 -1.792 12.646 575 HG2 LYS 80 1HG LYS 80 -18.268 -1.273 11.376 576 HG3 LYS 80 2HG LYS 80 -17.120 -1.589 10.072 577 HD2 LYS 80 1HD LYS 80 -17.962 -3.995 10.140 578 HD3 LYS 80 2HD LYS 80 -19.285 -3.386 11.137 579 HE2 LYS 80 1HE LYS 80 -18.598 -2.236 8.442 580 HE3 LYS 80 2HE LYS 80 -19.740 -3.562 8.654 581 HZ1 LYS 80 1HZ LYS 80 -20.885 -1.451 8.554 582 HZ2 LYS 80 2HZ LYS 80 -19.976 -0.853 9.849 583 HZ3 LYS 80 3HZ LYS 80 -21.062 -2.126 10.096 584 H TYR 81 H TYR 81 -13.629 -1.824 12.775 585 HA TYR 81 HA TYR 81 -12.104 -2.414 14.356 586 HB2 TYR 81 1HB TYR 81 -14.411 -3.185 15.345 587 HB3 TYR 81 2HB TYR 81 -13.766 -4.801 15.077 588 HD1 TYR 81 2HD TYR 81 -12.382 -1.582 16.400 589 HD2 TYR 81 1HD TYR 81 -12.948 -5.756 17.002 590 HE1 TYR 81 2HE TYR 81 -11.152 -1.437 18.524 591 HE2 TYR 81 1HE TYR 81 -11.720 -5.622 19.129 592 HH TYR 81 HH TYR 81 -9.939 -4.060 20.131 593 H THR 82 H THR 82 -11.545 -3.350 11.799 594 HA THR 82 HA THR 82 -10.116 -5.845 12.423 595 HB THR 82 HB THR 82 -11.596 -5.205 9.869 596 HG1 THR 82 1HG THR 82 -13.028 -6.346 10.941 597 HG21 THR 82 1HG2 THR 82 -9.471 -6.139 9.232 598 HG22 THR 82 2HG2 THR 82 -10.704 -7.388 9.059 599 HG23 THR 82 3HG2 THR 82 -9.617 -7.409 10.447 600 H GLU 83 H GLU 83 -8.018 -5.921 11.809 601 HA GLU 83 HA GLU 83 -6.799 -3.470 10.915 602 HB2 GLU 83 1HB GLU 83 -5.894 -5.211 12.630 603 HB3 GLU 83 2HB GLU 83 -5.330 -6.070 11.204 604 HG2 GLU 83 1HG GLU 83 -3.839 -4.389 10.622 605 HG3 GLU 83 2HG GLU 83 -4.662 -3.185 11.612 606 H TYR 84 H TYR 84 -5.427 -3.261 9.074 607 HA TYR 84 HA TYR 84 -5.563 -5.290 7.007 608 HB2 TYR 84 1HB TYR 84 -6.874 -2.589 6.719 609 HB3 TYR 84 2HB TYR 84 -6.403 -3.566 5.333 610 HD1 TYR 84 2HD TYR 84 -7.532 -5.714 4.890 611 HD2 TYR 84 1HD TYR 84 -8.796 -3.148 8.040 612 HE1 TYR 84 2HE TYR 84 -9.662 -6.936 5.023 613 HE2 TYR 84 1HE TYR 84 -10.929 -4.363 8.182 614 HH TYR 84 HH TYR 84 -12.274 -5.853 7.118 615 H SER 85 H SER 85 -3.774 -5.293 5.780 616 HA SER 85 HA SER 85 -1.716 -3.347 6.366 617 HB2 SER 85 1HB SER 85 -1.483 -5.944 6.008 618 HB3 SER 85 2HB SER 85 -1.386 -5.496 4.305 619 HG SER 85 HG SER 85 0.676 -5.411 4.987 620 H PHE 86 H PHE 86 -0.593 -2.120 4.782 621 HA PHE 86 HA PHE 86 -1.850 -1.832 2.167 622 HB2 PHE 86 1HB PHE 86 -1.592 0.419 4.167 623 HB3 PHE 86 2HB PHE 86 -1.901 0.670 2.452 624 HD1 PHE 86 2HD PHE 86 -3.964 -0.596 1.482 625 HD2 PHE 86 1HD PHE 86 -3.367 0.215 5.617 626 HE1 PHE 86 2HE PHE 86 -6.377 -0.859 1.878 627 HE2 PHE 86 1HE PHE 86 -5.780 -0.048 6.021 628 HZ PHE 86 HZ PHE 86 -7.289 -0.584 4.150 629 H ARG 87 H ARG 87 -0.456 -1.221 0.578 630 HA ARG 87 HA ARG 87 2.140 -0.109 1.248 631 HB2 ARG 87 1HB ARG 87 3.446 -1.856 0.288 632 HB3 ARG 87 2HB ARG 87 2.354 -2.611 1.442 633 HG2 ARG 87 1HG ARG 87 2.094 -4.052 -0.285 634 HG3 ARG 87 2HG ARG 87 0.854 -2.877 -0.728 635 HD2 ARG 87 1HD ARG 87 2.083 -2.028 -2.461 636 HD3 ARG 87 2HD ARG 87 3.624 -2.429 -1.706 637 HE ARG 87 HE ARG 87 2.160 -4.033 -3.536 638 HH11 ARG 87 2HH1 ARG 87 4.222 -4.202 -0.736 639 HH12 ARG 87 1HH1 ARG 87 4.818 -5.785 -1.109 640 HH21 ARG 87 2HH2 ARG 87 2.937 -6.118 -4.037 641 HH22 ARG 87 1HH2 ARG 87 4.087 -6.874 -2.987 642 H VAL 88 H VAL 88 3.054 1.035 -0.413 643 HA VAL 88 HA VAL 88 1.465 1.190 -2.889 644 HB VAL 88 HB VAL 88 3.221 3.297 -1.621 645 HG11 VAL 88 1HG1 VAL 88 3.407 4.003 -3.749 646 HG12 VAL 88 2HG1 VAL 88 2.036 3.036 -4.298 647 HG13 VAL 88 3HG1 VAL 88 1.761 4.587 -3.504 648 HG21 VAL 88 1HG2 VAL 88 1.359 4.289 -0.778 649 HG22 VAL 88 2HG2 VAL 88 0.321 3.704 -2.078 650 HG23 VAL 88 3HG2 VAL 88 0.786 2.621 -0.766 651 H VAL 89 H VAL 89 2.420 0.879 -4.822 652 HA VAL 89 HA VAL 89 5.350 0.573 -4.878 653 HB VAL 89 HB VAL 89 3.312 -1.185 -6.247 654 HG11 VAL 89 1HG1 VAL 89 5.193 -0.731 -7.734 655 HG12 VAL 89 2HG1 VAL 89 6.321 -1.220 -6.468 656 HG13 VAL 89 3HG1 VAL 89 5.219 -2.403 -7.173 657 HG21 VAL 89 1HG2 VAL 89 3.462 -2.345 -4.347 658 HG22 VAL 89 2HG2 VAL 89 5.102 -2.759 -4.847 659 HG23 VAL 89 3HG2 VAL 89 4.827 -1.384 -3.777 660 H ALA 90 H ALA 90 6.392 1.536 -6.531 661 HA ALA 90 HA ALA 90 4.829 3.221 -8.305 662 HB1 ALA 90 1HB ALA 90 7.190 3.955 -9.029 663 HB2 ALA 90 2HB ALA 90 6.636 4.380 -7.409 664 HB3 ALA 90 3HB ALA 90 7.743 3.026 -7.636 665 H TYR 91 H TYR 91 4.409 2.798 -10.377 666 HA TYR 91 HA TYR 91 5.900 0.616 -11.682 667 HB2 TYR 91 1HB TYR 91 2.969 1.236 -11.643 668 HB3 TYR 91 2HB TYR 91 3.666 0.428 -13.043 669 HD1 TYR 91 2HD TYR 91 2.927 0.125 -9.456 670 HD2 TYR 91 1HD TYR 91 4.419 -1.856 -12.913 671 HE1 TYR 91 2HE TYR 91 2.769 -2.031 -8.282 672 HE2 TYR 91 1HE TYR 91 4.264 -4.017 -11.750 673 HH TYR 91 HH TYR 91 2.522 -4.697 -9.360 674 H ASN 92 H ASN 92 7.154 1.391 -13.234 675 HA ASN 92 HA ASN 92 6.185 3.679 -14.818 676 HB2 ASN 92 1HB ASN 92 8.600 4.175 -15.248 677 HB3 ASN 92 2HB ASN 92 8.131 4.336 -13.558 678 HD21 ASN 92 1HD2 ASN 92 10.682 4.155 -13.842 679 HD22 ASN 92 2HD2 ASN 92 11.297 2.580 -13.489 680 H LYS 93 H LYS 93 6.991 3.749 -17.065 681 HA LYS 93 HA LYS 93 6.229 1.690 -18.624 682 HB2 LYS 93 1HB LYS 93 7.696 2.564 -20.397 683 HB3 LYS 93 2HB LYS 93 6.865 3.855 -19.540 684 HG2 LYS 93 1HG LYS 93 9.599 3.064 -18.664 685 HG3 LYS 93 2HG LYS 93 9.405 4.048 -20.116 686 HD2 LYS 93 1HD LYS 93 7.920 5.551 -18.655 687 HD3 LYS 93 2HD LYS 93 8.633 4.694 -17.287 688 HE2 LYS 93 1HE LYS 93 10.849 5.380 -17.967 689 HE3 LYS 93 2HE LYS 93 10.202 6.134 -19.423 690 HZ1 LYS 93 1HZ LYS 93 10.456 7.222 -16.832 691 HZ2 LYS 93 2HZ LYS 93 8.825 7.225 -17.279 692 HZ3 LYS 93 3HZ LYS 93 9.972 7.988 -18.260 693 H HIS 94 H HIS 94 9.215 1.901 -16.851 694 HA HIS 94 HA HIS 94 10.545 -0.233 -18.206 695 HB2 HIS 94 1HB HIS 94 11.070 0.873 -15.440 696 HB3 HIS 94 2HB HIS 94 12.173 -0.112 -16.397 697 HD1 HIS 94 1HD HIS 94 12.180 1.278 -19.058 698 HD2 HIS 94 2HD HIS 94 12.172 3.340 -15.451 699 HE1 HIS 94 1HE HIS 94 13.121 3.551 -19.581 700 HE2 HIS 94 2HE HIS 94 13.186 4.751 -17.367 701 H GLY 95 H GLY 95 9.306 -0.064 -14.859 702 HA2 GLY 95 1HA GLY 95 7.729 -2.341 -14.912 703 HA3 GLY 95 2HA GLY 95 9.353 -2.888 -14.523 704 HA PRO 96 HA PRO 96 7.106 -1.644 -10.617 705 HB2 PRO 96 1HB PRO 96 7.478 -4.006 -9.331 706 HB3 PRO 96 2HB PRO 96 6.090 -3.691 -10.380 707 HG2 PRO 96 1HG PRO 96 8.625 -5.165 -10.982 708 HG3 PRO 96 2HG PRO 96 6.957 -5.587 -11.411 709 HD2 PRO 96 1HD PRO 96 8.669 -4.444 -13.170 710 HD3 PRO 96 2HD PRO 96 6.920 -4.141 -13.206 711 H GLY 97 H GLY 97 8.296 -0.526 -9.209 712 HA2 GLY 97 1HA GLY 97 11.133 -1.183 -8.913 713 HA3 GLY 97 2HA GLY 97 10.362 0.320 -8.429 714 H VAL 98 H VAL 98 11.479 0.117 -6.409 715 HA VAL 98 HA VAL 98 11.385 -1.992 -4.640 716 HB VAL 98 HB VAL 98 11.595 -0.303 -2.818 717 HG11 VAL 98 1HG1 VAL 98 13.696 0.771 -3.786 718 HG12 VAL 98 2HG1 VAL 98 13.621 -0.992 -3.787 719 HG13 VAL 98 3HG1 VAL 98 13.312 -0.095 -5.274 720 HG21 VAL 98 1HG2 VAL 98 11.923 1.994 -4.523 721 HG22 VAL 98 2HG2 VAL 98 10.284 1.356 -4.647 722 HG23 VAL 98 3HG2 VAL 98 10.937 1.807 -3.072 723 H SER 99 H SER 99 10.176 -1.808 -2.426 724 HA SER 99 HA SER 99 7.343 -1.180 -2.895 725 HB2 SER 99 1HB SER 99 7.766 -3.630 -3.201 726 HB3 SER 99 2HB SER 99 8.319 -3.698 -1.528 727 HG SER 99 HG SER 99 6.108 -2.621 -1.181 728 H THR 100 H THR 100 6.678 0.220 -1.423 729 HA THR 100 HA THR 100 8.118 1.021 0.819 730 HB THR 100 HB THR 100 5.737 1.843 1.600 731 HG1 THR 100 1HG THR 100 4.598 2.112 -0.617 732 HG21 THR 100 1HG2 THR 100 6.465 3.136 -0.948 733 HG22 THR 100 2HG2 THR 100 7.774 2.975 0.223 734 HG23 THR 100 3HG2 THR 100 6.293 3.825 0.666 735 HA PRO 101 HA PRO 101 7.286 -1.876 4.009 736 HB2 PRO 101 1HB PRO 101 7.049 -0.268 6.184 737 HB3 PRO 101 2HB PRO 101 8.594 -0.581 5.384 738 HG2 PRO 101 1HG PRO 101 6.768 1.776 5.120 739 HG3 PRO 101 2HG PRO 101 8.536 1.740 5.258 740 HD2 PRO 101 1HD PRO 101 7.266 2.066 2.889 741 HD3 PRO 101 2HD PRO 101 8.825 1.229 3.030 742 H ASP 102 H ASP 102 5.532 -2.978 4.620 743 HA ASP 102 HA ASP 102 2.943 -2.307 4.071 744 HB2 ASP 102 1HB ASP 102 3.673 -3.972 6.479 745 HB3 ASP 102 2HB ASP 102 2.258 -4.125 5.441 746 H VAL 103 H VAL 103 1.208 -1.421 5.180 747 HA VAL 103 HA VAL 103 1.841 -0.013 7.687 748 HB VAL 103 HB VAL 103 0.255 1.115 5.376 749 HG11 VAL 103 1HG1 VAL 103 -0.082 1.637 8.059 750 HG12 VAL 103 2HG1 VAL 103 0.995 2.929 7.526 751 HG13 VAL 103 3HG1 VAL 103 -0.561 2.691 6.730 752 HG21 VAL 103 1HG2 VAL 103 2.197 1.882 4.619 753 HG22 VAL 103 2HG2 VAL 103 2.390 2.797 6.114 754 HG23 VAL 103 3HG2 VAL 103 3.050 1.167 5.987 755 H ALA 104 H ALA 104 0.786 -1.840 8.698 756 HA ALA 104 HA ALA 104 -1.935 -2.480 8.171 757 HB1 ALA 104 1HB ALA 104 -0.125 -3.082 10.499 758 HB2 ALA 104 2HB ALA 104 -1.785 -3.669 10.386 759 HB3 ALA 104 3HB ALA 104 -0.593 -4.155 9.180 760 H VAL 105 H VAL 105 -3.784 -1.698 9.023 761 HA VAL 105 HA VAL 105 -3.675 0.117 11.308 762 HB VAL 105 HB VAL 105 -3.471 1.535 9.271 763 HG11 VAL 105 1HG1 VAL 105 -4.653 0.427 7.597 764 HG12 VAL 105 2HG1 VAL 105 -6.074 0.198 8.618 765 HG13 VAL 105 3HG1 VAL 105 -5.687 1.800 7.990 766 HG21 VAL 105 1HG2 VAL 105 -6.151 2.022 10.522 767 HG22 VAL 105 2HG2 VAL 105 -4.668 2.167 11.466 768 HG23 VAL 105 3HG2 VAL 105 -4.915 3.189 10.050 769 H ARG 106 H ARG 106 -5.577 0.234 12.483 770 HA ARG 106 HA ARG 106 -7.554 -1.823 11.814 771 HB2 ARG 106 1HB ARG 106 -6.288 -1.591 14.101 772 HB3 ARG 106 2HB ARG 106 -7.503 -0.362 14.427 773 HG2 ARG 106 1HG ARG 106 -9.264 -2.039 13.994 774 HG3 ARG 106 2HG ARG 106 -8.006 -3.259 13.785 775 HD2 ARG 106 1HD ARG 106 -8.240 -1.599 16.279 776 HD3 ARG 106 2HD ARG 106 -9.118 -3.114 16.072 777 HE ARG 106 HE ARG 106 -6.265 -3.270 15.624 778 HH11 ARG 106 2HH1 ARG 106 -8.880 -3.592 17.899 779 HH12 ARG 106 1HH1 ARG 106 -7.990 -4.618 18.976 780 HH21 ARG 106 2HH2 ARG 106 -5.083 -4.619 17.033 781 HH22 ARG 106 1HH2 ARG 106 -5.830 -5.201 18.482 782 H THR 107 H THR 107 -9.607 -1.349 11.309 783 HA THR 107 HA THR 107 -10.329 1.378 10.805 784 HB THR 107 HB THR 107 -12.582 0.333 10.199 785 HG1 THR 107 1HG THR 107 -12.222 -1.606 11.458 786 HG21 THR 107 1HG2 THR 107 -11.710 0.410 8.152 787 HG22 THR 107 2HG2 THR 107 -10.909 -1.138 8.424 788 HG23 THR 107 3HG2 THR 107 -10.089 0.366 8.845 789 H LEU 108 H LEU 108 -12.377 2.330 11.574 790 HA LEU 108 HA LEU 108 -12.480 2.392 14.391 791 HB2 LEU 108 1HB LEU 108 -14.580 3.362 12.462 792 HB3 LEU 108 2HB LEU 108 -14.355 3.883 14.131 793 HG LEU 108 HG LEU 108 -12.434 4.396 11.861 794 HD11 LEU 108 1HD1 LEU 108 -13.379 6.417 11.540 795 HD12 LEU 108 2HD1 LEU 108 -13.817 6.605 13.237 796 HD13 LEU 108 3HD1 LEU 108 -14.812 5.609 12.175 797 HD21 LEU 108 1HD2 LEU 108 -12.140 4.511 14.718 798 HD22 LEU 108 2HD2 LEU 108 -11.969 6.120 14.016 799 HD23 LEU 108 3HD2 LEU 108 -10.943 4.799 13.456 800 H SER 109 H SER 109 -14.169 1.770 15.811 801 HA SER 109 HA SER 109 -15.502 -0.690 14.965 802 HB2 SER 109 1HB SER 109 -15.734 -1.211 17.291 803 HB3 SER 109 2HB SER 109 -14.096 -0.599 17.065 804 HG SER 109 HG SER 109 -16.224 0.491 18.453 805 H ASP 110 H ASP 110 -17.506 -0.531 14.232 806 HA ASP 110 HA ASP 110 -19.255 1.566 15.336 807 HB2 ASP 110 1HB ASP 110 -18.819 1.760 12.915 808 HB3 ASP 110 2HB ASP 110 -19.463 0.137 12.677 809 H SER 111 H SER 111 -19.160 -1.817 14.286 810 HA SER 111 HA SER 111 -21.802 -2.402 15.210 811 HB2 SER 111 1HB SER 111 -20.455 -3.645 13.402 812 HB3 SER 111 2HB SER 111 -19.643 -4.453 14.742 813 HG SER 111 HG SER 111 -22.451 -4.412 14.327 814 H GLY 112 H GLY 112 -18.542 -3.167 16.427 815 HA2 GLY 112 1HA GLY 112 -19.020 -4.656 18.622 816 HA3 GLY 112 2HA GLY 112 -17.831 -3.361 18.624 817 HA PRO 113 HA PRO 113 -21.523 -2.575 21.554 818 HB2 PRO 113 1HB PRO 113 -20.369 -3.304 23.901 819 HB3 PRO 113 2HB PRO 113 -21.302 -4.423 22.901 820 HG2 PRO 113 1HG PRO 113 -18.334 -4.086 23.101 821 HG3 PRO 113 2HG PRO 113 -19.288 -5.579 23.032 822 HD2 PRO 113 1HD PRO 113 -18.007 -4.568 20.872 823 HD3 PRO 113 2HD PRO 113 -19.533 -5.466 20.743 824 H SER 114 H SER 114 -21.617 -0.489 22.072 825 HA SER 114 HA SER 114 -19.293 1.144 22.227 826 HB2 SER 114 1HB SER 114 -20.874 2.968 22.741 827 HB3 SER 114 2HB SER 114 -21.413 2.014 21.359 828 HG SER 114 HG SER 114 -23.076 2.479 22.927 829 H SER 115 H SER 115 -21.454 -0.285 24.600 830 HA SER 115 HA SER 115 -21.335 -0.489 26.862 831 HB2 SER 115 1HB SER 115 -18.410 0.205 26.503 832 HB3 SER 115 2HB SER 115 -19.134 -0.622 27.882 833 HG SER 115 HG SER 115 -19.124 -1.597 25.215 834 H GLY 116 H GLY 116 -22.282 1.932 25.972 835 HA2 GLY 116 1HA GLY 116 -21.214 3.774 28.019 836 HA3 GLY 116 2HA GLY 116 -21.669 4.339 26.418 Start of MODEL 11 1 H1 GLY 1 H GLY 1 1.064 -29.581 11.763 2 HA2 GLY 1 1HA GLY 1 1.023 -26.985 11.680 3 HA3 GLY 1 2HA GLY 1 2.149 -27.156 13.018 4 H SER 2 H SER 2 3.080 -25.772 10.975 5 HA SER 2 HA SER 2 5.002 -27.610 9.732 6 HB2 SER 2 1HB SER 2 4.847 -26.436 7.602 7 HB3 SER 2 2HB SER 2 3.257 -27.046 8.059 8 HG SER 2 HG SER 2 2.617 -25.064 7.858 9 H SER 3 H SER 3 6.797 -26.215 8.623 10 HA SER 3 HA SER 3 7.377 -23.654 9.683 11 HB2 SER 3 1HB SER 3 9.157 -24.191 11.230 12 HB3 SER 3 2HB SER 3 7.698 -25.040 11.742 13 HG SER 3 HG SER 3 9.937 -26.159 11.471 14 H GLY 4 H GLY 4 9.582 -22.925 9.106 15 HA2 GLY 4 1HA GLY 4 11.498 -24.262 7.701 16 HA3 GLY 4 2HA GLY 4 10.273 -23.907 6.492 17 H SER 5 H SER 5 12.546 -22.841 5.876 18 HA SER 5 HA SER 5 12.221 -19.996 6.518 19 HB2 SER 5 1HB SER 5 14.766 -21.603 6.686 20 HB3 SER 5 2HB SER 5 14.788 -19.855 6.455 21 HG SER 5 HG SER 5 14.068 -21.351 8.685 22 H SER 6 H SER 6 13.751 -18.686 4.981 23 HA SER 6 HA SER 6 13.337 -19.767 2.274 24 HB2 SER 6 1HB SER 6 13.386 -17.355 1.559 25 HB3 SER 6 2HB SER 6 12.036 -17.771 2.614 26 HG SER 6 HG SER 6 14.257 -16.167 3.104 27 H GLY 7 H GLY 7 15.524 -17.551 4.025 28 HA2 GLY 7 1HA GLY 7 17.860 -17.613 4.058 29 HA3 GLY 7 2HA GLY 7 17.820 -18.875 2.835 30 H ARG 8 H ARG 8 18.262 -15.561 3.450 31 HA ARG 8 HA ARG 8 19.250 -15.034 0.865 32 HB2 ARG 8 1HB ARG 8 16.635 -15.059 0.627 33 HB3 ARG 8 2HB ARG 8 16.750 -13.461 1.352 34 HG2 ARG 8 1HG ARG 8 16.722 -13.111 -0.969 35 HG3 ARG 8 2HG ARG 8 18.403 -12.896 -0.477 36 HD2 ARG 8 1HD ARG 8 18.749 -15.328 -1.101 37 HD3 ARG 8 2HD ARG 8 17.157 -15.261 -1.855 38 HE ARG 8 HE ARG 8 18.463 -13.161 -2.959 39 HH11 ARG 8 2HH1 ARG 8 19.207 -16.545 -2.617 40 HH12 ARG 8 1HH1 ARG 8 20.143 -16.620 -4.073 41 HH21 ARG 8 2HH2 ARG 8 19.694 -13.247 -4.878 42 HH22 ARG 8 1HH2 ARG 8 20.420 -14.744 -5.358 43 H VAL 9 H VAL 9 20.024 -12.838 0.628 44 HA VAL 9 HA VAL 9 20.296 -11.466 3.224 45 HB VAL 9 HB VAL 9 22.436 -10.522 2.190 46 HG11 VAL 9 1HG1 VAL 9 22.180 -12.383 3.937 47 HG12 VAL 9 2HG1 VAL 9 22.560 -13.489 2.615 48 HG13 VAL 9 3HG1 VAL 9 23.722 -12.249 3.092 49 HG21 VAL 9 1HG2 VAL 9 21.898 -12.798 0.290 50 HG22 VAL 9 2HG2 VAL 9 22.105 -11.092 -0.108 51 HG23 VAL 9 3HG2 VAL 9 23.474 -12.031 0.486 52 H GLU 10 H GLU 10 18.286 -11.115 1.018 53 HA GLU 10 HA GLU 10 17.375 -9.465 -0.300 54 HB2 GLU 10 1HB GLU 10 17.007 -7.380 0.940 55 HB3 GLU 10 2HB GLU 10 16.737 -8.789 1.957 56 HG2 GLU 10 1HG GLU 10 19.375 -7.379 1.946 57 HG3 GLU 10 2HG GLU 10 18.030 -6.796 2.925 58 H THR 11 H THR 11 19.712 -9.938 -1.427 59 HA THR 11 HA THR 11 21.057 -7.341 -1.743 60 HB THR 11 HB THR 11 22.814 -8.765 -2.960 61 HG1 THR 11 1HG THR 11 21.128 -10.633 -2.766 62 HG21 THR 11 1HG2 THR 11 22.268 -8.856 -0.011 63 HG22 THR 11 2HG2 THR 11 23.466 -7.907 -0.891 64 HG23 THR 11 3HG2 THR 11 23.689 -9.645 -0.693 65 H GLN 12 H GLN 12 21.477 -6.518 -3.820 66 HA GLN 12 HA GLN 12 20.594 -7.818 -6.194 67 HB2 GLN 12 1HB GLN 12 18.713 -6.440 -6.762 68 HB3 GLN 12 2HB GLN 12 18.412 -7.149 -5.181 69 HG2 GLN 12 1HG GLN 12 19.346 -4.958 -4.238 70 HG3 GLN 12 2HG GLN 12 19.117 -4.322 -5.866 71 HE21 GLN 12 1HE2 GLN 12 17.337 -6.218 -3.449 72 HE22 GLN 12 2HE2 GLN 12 15.829 -5.406 -3.674 73 HA PRO 13 HA PRO 13 23.586 -4.931 -7.682 74 HB2 PRO 13 1HB PRO 13 23.230 -5.372 -10.337 75 HB3 PRO 13 2HB PRO 13 24.075 -6.508 -9.279 76 HG2 PRO 13 1HG PRO 13 21.248 -6.580 -10.262 77 HG3 PRO 13 2HG PRO 13 22.422 -7.903 -10.134 78 HD2 PRO 13 1HD PRO 13 20.463 -7.511 -8.306 79 HD3 PRO 13 2HD PRO 13 22.049 -8.182 -7.876 80 H GLU 14 H GLU 14 23.723 -3.080 -9.216 81 HA GLU 14 HA GLU 14 21.862 -1.136 -8.749 82 HB2 GLU 14 1HB GLU 14 24.192 -1.003 -9.886 83 HB3 GLU 14 2HB GLU 14 23.300 -1.222 -11.385 84 HG2 GLU 14 1HG GLU 14 21.860 0.759 -10.432 85 HG3 GLU 14 2HG GLU 14 23.329 1.083 -9.513 86 H VAL 15 H VAL 15 20.163 -0.192 -9.944 87 HA VAL 15 HA VAL 15 19.120 -1.488 -12.292 88 HB VAL 15 HB VAL 15 18.265 -3.013 -10.590 89 HG11 VAL 15 1HG1 VAL 15 16.338 -1.535 -9.223 90 HG12 VAL 15 2HG1 VAL 15 17.826 -2.214 -8.560 91 HG13 VAL 15 3HG1 VAL 15 17.801 -0.553 -9.154 92 HG21 VAL 15 1HG2 VAL 15 15.920 -2.920 -11.171 93 HG22 VAL 15 2HG2 VAL 15 16.072 -1.227 -11.643 94 HG23 VAL 15 3HG2 VAL 15 16.893 -2.480 -12.575 95 H GLN 16 H GLN 16 17.619 -0.237 -13.381 96 HA GLN 16 HA GLN 16 17.406 2.514 -12.431 97 HB2 GLN 16 1HB GLN 16 16.682 3.032 -14.719 98 HB3 GLN 16 2HB GLN 16 18.215 2.171 -14.707 99 HG2 GLN 16 1HG GLN 16 16.729 0.065 -15.034 100 HG3 GLN 16 2HG GLN 16 15.524 1.231 -15.579 101 HE21 GLN 16 1HE2 GLN 16 16.410 -0.668 -17.295 102 HE22 GLN 16 2HE2 GLN 16 17.400 0.044 -18.518 103 H LEU 17 H LEU 17 15.858 1.471 -10.767 104 HA LEU 17 HA LEU 17 13.125 1.602 -11.863 105 HB2 LEU 17 1HB LEU 17 14.377 -0.287 -9.956 106 HB3 LEU 17 2HB LEU 17 12.723 0.216 -9.614 107 HG LEU 17 HG LEU 17 11.862 -0.913 -11.409 108 HD11 LEU 17 1HD1 LEU 17 12.940 0.060 -13.229 109 HD12 LEU 17 2HD1 LEU 17 13.383 -1.643 -13.344 110 HD13 LEU 17 3HD1 LEU 17 14.533 -0.474 -12.695 111 HD21 LEU 17 1HD2 LEU 17 12.468 -2.798 -10.340 112 HD22 LEU 17 2HD2 LEU 17 14.157 -2.308 -10.207 113 HD23 LEU 17 3HD2 LEU 17 13.554 -2.997 -11.715 114 HA PRO 18 HA PRO 18 12.167 4.804 -9.021 115 HB2 PRO 18 1HB PRO 18 9.657 4.158 -8.212 116 HB3 PRO 18 2HB PRO 18 10.018 4.763 -9.833 117 HG2 PRO 18 1HG PRO 18 9.585 1.947 -8.917 118 HG3 PRO 18 2HG PRO 18 8.978 2.755 -10.373 119 HD2 PRO 18 1HD PRO 18 11.116 1.095 -10.413 120 HD3 PRO 18 2HD PRO 18 10.968 2.487 -11.504 121 H GLY 19 H GLY 19 11.473 5.289 -6.758 122 HA2 GLY 19 1HA GLY 19 12.461 3.171 -4.963 123 HA3 GLY 19 2HA GLY 19 12.528 4.895 -4.626 124 HA PRO 20 HA PRO 20 8.775 2.845 -2.615 125 HB2 PRO 20 1HB PRO 20 9.548 3.196 -0.036 126 HB3 PRO 20 2HB PRO 20 9.953 1.752 -0.973 127 HG2 PRO 20 1HG PRO 20 11.629 4.163 -0.388 128 HG3 PRO 20 2HG PRO 20 12.086 2.450 -0.360 129 HD2 PRO 20 1HD PRO 20 12.679 4.082 -2.437 130 HD3 PRO 20 2HD PRO 20 12.343 2.352 -2.648 131 H ALA 21 H ALA 21 7.131 4.231 -2.567 132 HA ALA 21 HA ALA 21 7.282 6.982 -2.512 133 HB1 ALA 21 1HB ALA 21 5.112 6.781 -2.921 134 HB2 ALA 21 2HB ALA 21 5.234 5.054 -2.581 135 HB3 ALA 21 3HB ALA 21 4.824 6.180 -1.288 136 HA PRO 22 HA PRO 22 8.483 7.539 1.780 137 HB2 PRO 22 1HB PRO 22 8.936 10.206 1.550 138 HB3 PRO 22 2HB PRO 22 10.092 8.985 1.005 139 HG2 PRO 22 1HG PRO 22 8.102 10.553 -0.589 140 HG3 PRO 22 2HG PRO 22 9.790 10.168 -0.974 141 HD2 PRO 22 1HD PRO 22 7.705 8.807 -2.039 142 HD3 PRO 22 2HD PRO 22 9.270 8.042 -1.699 143 H ASN 23 H ASN 23 7.851 9.368 3.408 144 HA ASN 23 HA ASN 23 6.122 10.039 4.755 145 HB2 ASN 23 1HB ASN 23 5.191 11.342 2.189 146 HB3 ASN 23 2HB ASN 23 4.841 11.873 3.832 147 HD21 ASN 23 1HD2 ASN 23 7.110 11.922 5.121 148 HD22 ASN 23 2HD2 ASN 23 8.279 12.938 4.356 149 H LEU 24 H LEU 24 5.628 7.483 4.032 150 HA LEU 24 HA LEU 24 3.026 7.193 2.844 151 HB2 LEU 24 1HB LEU 24 4.897 5.506 2.728 152 HB3 LEU 24 2HB LEU 24 4.562 5.139 4.419 153 HG LEU 24 HG LEU 24 2.291 4.420 3.789 154 HD11 LEU 24 1HD1 LEU 24 2.073 3.956 1.237 155 HD12 LEU 24 2HD1 LEU 24 3.234 5.274 1.089 156 HD13 LEU 24 3HD1 LEU 24 1.682 5.552 1.879 157 HD21 LEU 24 1HD2 LEU 24 4.542 3.075 2.299 158 HD22 LEU 24 2HD2 LEU 24 2.965 2.355 2.622 159 HD23 LEU 24 3HD2 LEU 24 4.040 2.760 3.961 160 H ARG 25 H ARG 25 1.319 7.932 3.941 161 HA ARG 25 HA ARG 25 0.992 7.042 6.724 162 HB2 ARG 25 1HB ARG 25 -0.377 9.367 6.778 163 HB3 ARG 25 2HB ARG 25 1.302 9.215 7.280 164 HG2 ARG 25 1HG ARG 25 1.823 9.743 4.792 165 HG3 ARG 25 2HG ARG 25 0.175 10.376 4.774 166 HD2 ARG 25 1HD ARG 25 0.947 11.624 6.937 167 HD3 ARG 25 2HD ARG 25 2.562 11.328 6.295 168 HE ARG 25 HE ARG 25 2.173 12.899 4.670 169 HH11 ARG 25 2HH1 ARG 25 -0.835 12.054 6.205 170 HH12 ARG 25 1HH1 ARG 25 -1.735 13.315 5.430 171 HH21 ARG 25 2HH2 ARG 25 0.999 14.564 3.644 172 HH22 ARG 25 1HH2 ARG 25 -0.691 14.742 3.973 173 H ALA 26 H ALA 26 -1.017 6.331 7.277 174 HA ALA 26 HA ALA 26 -3.191 6.656 5.333 175 HB1 ALA 26 1HB ALA 26 -3.588 4.092 6.203 176 HB2 ALA 26 2HB ALA 26 -2.871 4.548 4.658 177 HB3 ALA 26 3HB ALA 26 -1.834 4.167 6.032 178 H TYR 27 H TYR 27 -5.097 7.120 6.246 179 HA TYR 27 HA TYR 27 -5.443 6.571 9.117 180 HB2 TYR 27 1HB TYR 27 -6.716 8.751 9.228 181 HB3 TYR 27 2HB TYR 27 -4.978 8.906 8.996 182 HD1 TYR 27 1HD TYR 27 -8.254 9.117 7.298 183 HD2 TYR 27 2HD TYR 27 -4.086 9.938 7.049 184 HE1 TYR 27 1HE TYR 27 -8.652 10.501 5.303 185 HE2 TYR 27 2HE TYR 27 -4.473 11.325 5.055 186 HH TYR 27 HH TYR 27 -7.748 11.827 3.772 187 H ALA 28 H ALA 28 -7.283 5.574 9.637 188 HA ALA 28 HA ALA 28 -9.094 4.735 7.602 189 HB1 ALA 28 1HB ALA 28 -10.011 4.428 10.364 190 HB2 ALA 28 2HB ALA 28 -9.771 3.217 9.104 191 HB3 ALA 28 3HB ALA 28 -8.400 3.777 10.061 192 H ALA 29 H ALA 29 -10.367 6.237 6.687 193 HA ALA 29 HA ALA 29 -11.377 8.534 7.953 194 HB1 ALA 29 1HB ALA 29 -12.466 7.117 5.523 195 HB2 ALA 29 2HB ALA 29 -12.800 8.783 5.998 196 HB3 ALA 29 3HB ALA 29 -11.169 8.313 5.520 197 H SER 30 H SER 30 -12.833 5.357 7.358 198 HA SER 30 HA SER 30 -14.794 5.936 9.457 199 HB2 SER 30 1HB SER 30 -15.365 5.356 6.609 200 HB3 SER 30 2HB SER 30 -16.349 4.486 7.785 201 HG SER 30 HG SER 30 -17.124 6.626 7.070 202 HA PRO 31 HA PRO 31 -14.072 1.853 10.887 203 HB2 PRO 31 1HB PRO 31 -16.550 0.990 11.586 204 HB3 PRO 31 2HB PRO 31 -15.667 2.218 12.500 205 HG2 PRO 31 1HG PRO 31 -17.835 2.565 10.465 206 HG3 PRO 31 2HG PRO 31 -17.615 3.393 12.018 207 HD2 PRO 31 1HD PRO 31 -16.928 4.522 9.654 208 HD3 PRO 31 2HD PRO 31 -16.049 4.852 11.161 209 H THR 32 H THR 32 -15.539 2.374 7.992 210 HA THR 32 HA THR 32 -15.681 -0.512 7.414 211 HB THR 32 HB THR 32 -17.461 -0.104 5.799 212 HG1 THR 32 1HG THR 32 -18.439 2.171 6.153 213 HG21 THR 32 1HG2 THR 32 -18.082 1.066 8.514 214 HG22 THR 32 2HG2 THR 32 -18.120 -0.644 8.084 215 HG23 THR 32 3HG2 THR 32 -19.274 0.474 7.357 216 H SER 33 H SER 33 -14.477 2.582 6.577 217 HA SER 33 HA SER 33 -13.208 1.433 4.180 218 HB2 SER 33 1HB SER 33 -13.347 3.600 3.075 219 HB3 SER 33 2HB SER 33 -14.960 3.082 3.562 220 HG SER 33 HG SER 33 -13.518 4.635 5.368 221 H ILE 34 H ILE 34 -11.275 2.911 3.514 222 HA ILE 34 HA ILE 34 -9.887 4.110 5.759 223 HB ILE 34 HB ILE 34 -8.762 1.676 4.368 224 HG12 ILE 34 1HG1 ILE 34 -9.440 2.115 7.283 225 HG13 ILE 34 2HG1 ILE 34 -10.454 1.233 6.147 226 HG21 ILE 34 1HG2 ILE 34 -6.839 1.982 5.901 227 HG22 ILE 34 2HG2 ILE 34 -7.010 3.285 4.726 228 HG23 ILE 34 3HG2 ILE 34 -7.523 3.531 6.395 229 HD11 ILE 34 1HD1 ILE 34 -9.189 -0.316 7.470 230 HD12 ILE 34 2HD1 ILE 34 -8.606 -0.366 5.806 231 HD13 ILE 34 3HD1 ILE 34 -7.681 0.489 7.040 232 H THR 35 H THR 35 -8.759 5.809 5.077 233 HA THR 35 HA THR 35 -8.270 6.092 2.199 234 HB THR 35 HB THR 35 -8.391 8.130 4.422 235 HG1 THR 35 1HG THR 35 -10.357 8.359 3.694 236 HG21 THR 35 1HG2 THR 35 -7.719 8.605 1.515 237 HG22 THR 35 2HG2 THR 35 -6.574 8.701 2.853 238 HG23 THR 35 3HG2 THR 35 -7.917 9.839 2.759 239 H VAL 36 H VAL 36 -6.320 5.404 1.593 240 HA VAL 36 HA VAL 36 -4.036 5.762 3.392 241 HB VAL 36 HB VAL 36 -4.197 4.192 0.816 242 HG11 VAL 36 1HG1 VAL 36 -2.118 3.114 1.974 243 HG12 VAL 36 2HG1 VAL 36 -1.946 4.617 1.066 244 HG13 VAL 36 3HG1 VAL 36 -2.040 4.656 2.827 245 HG21 VAL 36 1HG2 VAL 36 -5.313 3.588 3.308 246 HG22 VAL 36 2HG2 VAL 36 -5.076 2.490 1.948 247 HG23 VAL 36 3HG2 VAL 36 -3.842 2.621 3.202 248 H THR 37 H THR 37 -2.213 6.903 2.827 249 HA THR 37 HA THR 37 -2.282 8.374 0.282 250 HB THR 37 HB THR 37 -1.860 10.440 1.244 251 HG1 THR 37 1HG THR 37 -0.154 9.786 2.623 252 HG21 THR 37 1HG2 THR 37 -4.003 8.948 2.304 253 HG22 THR 37 2HG2 THR 37 -3.869 10.702 2.170 254 HG23 THR 37 3HG2 THR 37 -3.335 9.886 3.639 255 H TRP 38 H TRP 38 -0.167 9.283 -0.330 256 HA TRP 38 HA TRP 38 2.206 8.375 0.978 257 HB2 TRP 38 1HB TRP 38 3.005 6.930 -0.881 258 HB3 TRP 38 2HB TRP 38 1.609 6.261 -0.041 259 HD1 TRP 38 HD TRP 38 2.653 7.746 -3.404 260 HE1 TRP 38 1HE TRP 38 0.826 7.224 -5.140 261 HE3 TRP 38 3HE TRP 38 -0.896 5.796 -0.284 262 HZ2 TRP 38 2HZ TRP 38 -1.777 6.131 -5.180 263 HZ3 TRP 38 3HZ TRP 38 -3.027 5.036 -1.250 264 HH2 TRP 38 HH TRP 38 -3.456 5.201 -3.648 265 H GLU 39 H GLU 39 4.156 9.109 -0.093 266 HA GLU 39 HA GLU 39 3.617 11.403 -1.853 267 HB2 GLU 39 1HB GLU 39 5.618 10.881 0.291 268 HB3 GLU 39 2HB GLU 39 6.103 11.911 -1.048 269 HG2 GLU 39 1HG GLU 39 3.557 12.426 0.432 270 HG3 GLU 39 2HG GLU 39 5.104 12.989 1.062 271 H THR 40 H THR 40 5.406 11.944 -3.392 272 HA THR 40 HA THR 40 6.093 9.562 -4.892 273 HB THR 40 HB THR 40 6.311 12.506 -5.485 274 HG1 THR 40 1HG THR 40 4.282 11.392 -5.773 275 HG21 THR 40 1HG2 THR 40 7.859 10.322 -6.631 276 HG22 THR 40 2HG2 THR 40 8.054 12.064 -6.819 277 HG23 THR 40 3HG2 THR 40 6.912 11.190 -7.838 278 HA PRO 41 HA PRO 41 10.193 9.318 -3.225 279 HB2 PRO 41 1HB PRO 41 11.151 7.486 -4.985 280 HB3 PRO 41 2HB PRO 41 10.059 7.066 -3.659 281 HG2 PRO 41 1HG PRO 41 9.438 7.526 -6.551 282 HG3 PRO 41 2HG PRO 41 8.833 6.262 -5.464 283 HD2 PRO 41 1HD PRO 41 7.385 8.464 -6.087 284 HD3 PRO 41 2HD PRO 41 7.266 7.657 -4.510 285 H VAL 42 H VAL 42 11.414 11.086 -3.574 286 HA VAL 42 HA VAL 42 11.828 12.507 -5.871 287 HB VAL 42 HB VAL 42 13.864 13.389 -4.899 288 HG11 VAL 42 1HG1 VAL 42 11.839 14.228 -3.940 289 HG12 VAL 42 2HG1 VAL 42 11.701 12.827 -2.876 290 HG13 VAL 42 3HG1 VAL 42 13.002 13.994 -2.636 291 HG21 VAL 42 1HG2 VAL 42 13.861 11.667 -2.526 292 HG22 VAL 42 2HG2 VAL 42 14.338 10.856 -4.017 293 HG23 VAL 42 3HG2 VAL 42 15.210 12.289 -3.476 294 H SER 43 H SER 43 13.150 9.425 -5.038 295 HA SER 43 HA SER 43 15.099 9.550 -7.219 296 HB2 SER 43 1HB SER 43 14.725 7.776 -4.840 297 HB3 SER 43 2HB SER 43 15.584 7.142 -6.244 298 HG SER 43 HG SER 43 16.957 9.020 -6.076 299 H GLY 44 H GLY 44 13.215 9.625 -8.734 300 HA2 GLY 44 1HA GLY 44 12.277 6.881 -9.305 301 HA3 GLY 44 2HA GLY 44 11.265 8.297 -9.548 302 H ASN 45 H ASN 45 13.294 6.122 -11.037 303 HA ASN 45 HA ASN 45 14.647 7.663 -12.939 304 HB2 ASN 45 1HB ASN 45 13.741 4.819 -12.796 305 HB3 ASN 45 2HB ASN 45 14.320 5.440 -14.339 306 HD21 ASN 45 1HD2 ASN 45 15.167 4.299 -11.250 307 HD22 ASN 45 2HD2 ASN 45 16.878 4.495 -11.389 308 H GLY 46 H GLY 46 13.856 8.985 -14.429 309 HA2 GLY 46 1HA GLY 46 12.581 9.709 -16.216 310 HA3 GLY 46 2HA GLY 46 11.733 8.170 -16.181 311 H GLU 47 H GLU 47 9.641 8.338 -15.775 312 HA GLU 47 HA GLU 47 8.721 10.249 -13.764 313 HB2 GLU 47 1HB GLU 47 7.875 10.186 -16.643 314 HB3 GLU 47 2HB GLU 47 6.761 10.740 -15.401 315 HG2 GLU 47 1HG GLU 47 8.768 12.272 -14.715 316 HG3 GLU 47 2HG GLU 47 9.283 11.980 -16.375 317 H ILE 48 H ILE 48 6.726 9.718 -12.805 318 HA ILE 48 HA ILE 48 6.136 6.889 -12.860 319 HB ILE 48 HB ILE 48 4.904 9.103 -11.216 320 HG12 ILE 48 1HG1 ILE 48 7.284 8.758 -10.734 321 HG13 ILE 48 2HG1 ILE 48 6.287 8.208 -9.392 322 HG21 ILE 48 1HG2 ILE 48 4.648 6.541 -10.016 323 HG22 ILE 48 2HG2 ILE 48 3.377 7.642 -10.547 324 HG23 ILE 48 3HG2 ILE 48 4.032 6.446 -11.665 325 HD11 ILE 48 1HD1 ILE 48 8.110 6.669 -9.825 326 HD12 ILE 48 2HD1 ILE 48 6.554 5.903 -10.143 327 HD13 ILE 48 3HD1 ILE 48 7.554 6.457 -11.485 328 H GLN 49 H GLN 49 4.528 5.942 -13.930 329 HA GLN 49 HA GLN 49 2.709 7.586 -15.485 330 HB2 GLN 49 1HB GLN 49 3.031 4.581 -15.401 331 HB3 GLN 49 2HB GLN 49 2.058 5.478 -16.559 332 HG2 GLN 49 1HG GLN 49 5.046 5.437 -16.289 333 HG3 GLN 49 2HG GLN 49 4.065 4.911 -17.655 334 HE21 GLN 49 1HE2 GLN 49 6.241 6.794 -17.653 335 HE22 GLN 49 2HE2 GLN 49 5.603 8.296 -18.218 336 H ASN 50 H ASN 50 2.366 4.799 -13.282 337 HA ASN 50 HA ASN 50 -0.033 6.009 -12.159 338 HB2 ASN 50 1HB ASN 50 -0.785 4.593 -14.078 339 HB3 ASN 50 2HB ASN 50 -0.077 3.196 -13.271 340 HD21 ASN 50 1HD2 ASN 50 -1.249 2.136 -11.813 341 HD22 ASN 50 2HD2 ASN 50 -2.782 2.649 -11.205 342 H TYR 51 H TYR 51 -0.760 4.921 -10.192 343 HA TYR 51 HA TYR 51 1.465 3.533 -8.849 344 HB2 TYR 51 1HB TYR 51 -0.575 5.490 -7.811 345 HB3 TYR 51 2HB TYR 51 0.328 4.437 -6.728 346 HD1 TYR 51 1HD TYR 51 2.901 4.546 -6.871 347 HD2 TYR 51 2HD TYR 51 0.333 7.528 -8.488 348 HE1 TYR 51 1HE TYR 51 4.766 6.150 -6.859 349 HE2 TYR 51 2HE TYR 51 2.191 9.140 -8.482 350 HH TYR 51 HH TYR 51 4.298 9.518 -7.872 351 H LYS 52 H LYS 52 1.064 1.702 -7.673 352 HA LYS 52 HA LYS 52 -1.639 0.565 -7.953 353 HB2 LYS 52 1HB LYS 52 0.543 -0.512 -8.993 354 HB3 LYS 52 2HB LYS 52 0.743 -1.138 -7.362 355 HG2 LYS 52 1HG LYS 52 -1.225 -2.393 -7.476 356 HG3 LYS 52 2HG LYS 52 -1.823 -1.491 -8.870 357 HD2 LYS 52 1HD LYS 52 0.294 -2.422 -10.054 358 HD3 LYS 52 2HD LYS 52 0.292 -3.607 -8.745 359 HE2 LYS 52 1HE LYS 52 -0.983 -4.714 -10.287 360 HE3 LYS 52 2HE LYS 52 -2.244 -3.842 -9.417 361 HZ1 LYS 52 1HZ LYS 52 -1.289 -3.494 -12.132 362 HZ2 LYS 52 2HZ LYS 52 -1.592 -2.061 -11.288 363 HZ3 LYS 52 3HZ LYS 52 -2.822 -3.206 -11.478 364 H LEU 53 H LEU 53 -2.757 0.695 -6.125 365 HA LEU 53 HA LEU 53 -1.344 0.548 -3.561 366 HB2 LEU 53 1HB LEU 53 -2.718 2.457 -3.681 367 HB3 LEU 53 2HB LEU 53 -4.061 1.543 -4.363 368 HG LEU 53 HG LEU 53 -4.223 0.360 -2.133 369 HD11 LEU 53 1HD1 LEU 53 -1.954 0.974 -1.360 370 HD12 LEU 53 2HD1 LEU 53 -3.221 1.406 -0.212 371 HD13 LEU 53 3HD1 LEU 53 -2.486 2.650 -1.224 372 HD21 LEU 53 1HD2 LEU 53 -4.680 3.342 -2.151 373 HD22 LEU 53 2HD2 LEU 53 -5.480 2.165 -1.109 374 HD23 LEU 53 3HD2 LEU 53 -5.763 2.137 -2.850 375 H TYR 54 H TYR 54 -1.521 -1.156 -2.248 376 HA TYR 54 HA TYR 54 -3.417 -3.275 -3.006 377 HB2 TYR 54 1HB TYR 54 -0.872 -3.503 -1.386 378 HB3 TYR 54 2HB TYR 54 -1.907 -4.837 -1.886 379 HD1 TYR 54 2HD TYR 54 -0.205 -1.929 -3.520 380 HD2 TYR 54 1HD TYR 54 -1.110 -6.085 -3.644 381 HE1 TYR 54 2HE TYR 54 1.086 -2.143 -5.603 382 HE2 TYR 54 1HE TYR 54 0.179 -6.310 -5.726 383 HH TYR 54 HH TYR 54 2.178 -3.758 -6.934 384 H TYR 55 H TYR 55 -4.278 -4.595 -1.211 385 HA TYR 55 HA TYR 55 -4.304 -3.502 1.439 386 HB2 TYR 55 1HB TYR 55 -6.613 -2.855 1.555 387 HB3 TYR 55 2HB TYR 55 -5.882 -1.993 0.206 388 HD1 TYR 55 1HD TYR 55 -6.201 -3.028 -2.142 389 HD2 TYR 55 2HD TYR 55 -8.569 -4.077 1.233 390 HE1 TYR 55 1HE TYR 55 -7.950 -3.887 -3.644 391 HE2 TYR 55 2HE TYR 55 -10.324 -4.940 -0.258 392 HH TYR 55 HH TYR 55 -10.075 -4.617 -3.768 393 H MET 56 H MET 56 -4.603 -5.114 2.835 394 HA MET 56 HA MET 56 -6.368 -7.326 2.218 395 HB2 MET 56 1HB MET 56 -4.829 -9.019 2.074 396 HB3 MET 56 2HB MET 56 -3.910 -7.721 1.325 397 HG2 MET 56 1HG MET 56 -3.070 -7.309 3.764 398 HG3 MET 56 2HG MET 56 -3.582 -8.978 4.003 399 HE1 MET 56 1HE MET 56 -0.157 -9.649 4.139 400 HE2 MET 56 2HE MET 56 -1.823 -9.950 4.632 401 HE3 MET 56 3HE MET 56 -1.075 -10.956 3.391 402 H GLU 57 H GLU 57 -6.626 -8.801 4.073 403 HA GLU 57 HA GLU 57 -6.559 -7.284 6.549 404 HB2 GLU 57 1HB GLU 57 -8.617 -8.464 5.889 405 HB3 GLU 57 2HB GLU 57 -7.754 -9.995 5.947 406 HG2 GLU 57 1HG GLU 57 -7.248 -9.297 8.405 407 HG3 GLU 57 2HG GLU 57 -8.637 -8.235 8.182 408 H LYS 58 H LYS 58 -5.311 -7.711 8.283 409 HA LYS 58 HA LYS 58 -2.935 -9.157 8.010 410 HB2 LYS 58 1HB LYS 58 -3.722 -7.307 9.738 411 HB3 LYS 58 2HB LYS 58 -4.088 -8.714 10.728 412 HG2 LYS 58 1HG LYS 58 -1.952 -8.259 11.398 413 HG3 LYS 58 2HG LYS 58 -1.646 -9.415 10.100 414 HD2 LYS 58 1HD LYS 58 -1.781 -6.526 9.405 415 HD3 LYS 58 2HD LYS 58 -0.347 -7.113 10.252 416 HE2 LYS 58 1HE LYS 58 -0.354 -8.972 8.443 417 HE3 LYS 58 2HE LYS 58 -1.395 -7.865 7.550 418 HZ1 LYS 58 1HZ LYS 58 1.409 -7.470 8.395 419 HZ2 LYS 58 2HZ LYS 58 0.423 -6.159 7.981 420 HZ3 LYS 58 3HZ LYS 58 0.751 -7.364 6.840 421 H GLY 59 H GLY 59 -3.205 -11.275 7.403 422 HA2 GLY 59 1HA GLY 59 -3.051 -13.461 8.546 423 HA3 GLY 59 2HA GLY 59 -4.520 -13.013 9.400 424 H THR 60 H THR 60 -3.785 -12.605 5.963 425 HA THR 60 HA THR 60 -5.934 -14.530 5.356 426 HB THR 60 HB THR 60 -5.412 -12.219 3.528 427 HG1 THR 60 1HG THR 60 -5.967 -10.922 5.114 428 HG21 THR 60 1HG2 THR 60 -7.434 -14.293 3.914 429 HG22 THR 60 2HG2 THR 60 -7.036 -13.354 2.475 430 HG23 THR 60 3HG2 THR 60 -8.116 -12.682 3.696 431 H ASP 61 H ASP 61 -2.793 -13.276 4.601 432 HA ASP 61 HA ASP 61 -1.099 -14.059 3.300 433 HB2 ASP 61 1HB ASP 61 -2.831 -16.453 3.640 434 HB3 ASP 61 2HB ASP 61 -1.605 -16.519 2.378 435 H LYS 62 H LYS 62 -3.458 -12.658 2.165 436 HA LYS 62 HA LYS 62 -2.850 -13.199 -0.634 437 HB2 LYS 62 1HB LYS 62 -4.805 -14.543 -0.365 438 HB3 LYS 62 2HB LYS 62 -5.628 -13.281 0.542 439 HG2 LYS 62 1HG LYS 62 -6.636 -13.075 -1.498 440 HG3 LYS 62 2HG LYS 62 -5.320 -11.911 -1.666 441 HD2 LYS 62 1HD LYS 62 -5.198 -13.110 -3.650 442 HD3 LYS 62 2HD LYS 62 -3.996 -13.914 -2.638 443 HE2 LYS 62 1HE LYS 62 -5.251 -15.630 -3.680 444 HE3 LYS 62 2HE LYS 62 -5.799 -15.558 -2.005 445 HZ1 LYS 62 1HZ LYS 62 -7.636 -14.077 -2.869 446 HZ2 LYS 62 2HZ LYS 62 -7.729 -15.710 -3.296 447 HZ3 LYS 62 3HZ LYS 62 -7.189 -14.571 -4.424 448 H GLU 63 H GLU 63 -2.137 -11.300 -1.337 449 HA GLU 63 HA GLU 63 -3.288 -8.835 -0.262 450 HB2 GLU 63 1HB GLU 63 -0.748 -9.337 -0.471 451 HB3 GLU 63 2HB GLU 63 -0.974 -8.954 -2.172 452 HG2 GLU 63 1HG GLU 63 -1.326 -6.743 -1.777 453 HG3 GLU 63 2HG GLU 63 -2.007 -7.022 -0.175 454 H GLN 64 H GLN 64 -4.156 -7.218 -1.566 455 HA GLN 64 HA GLN 64 -4.953 -8.111 -4.256 456 HB2 GLN 64 1HB GLN 64 -6.371 -6.460 -2.186 457 HB3 GLN 64 2HB GLN 64 -6.818 -6.352 -3.883 458 HG2 GLN 64 1HG GLN 64 -6.686 -9.004 -2.514 459 HG3 GLN 64 2HG GLN 64 -8.100 -7.967 -2.337 460 HE21 GLN 64 1HE2 GLN 64 -9.643 -8.784 -3.561 461 HE22 GLN 64 2HE2 GLN 64 -9.477 -9.277 -5.208 462 H ASP 65 H ASP 65 -5.702 -6.009 -5.561 463 HA ASP 65 HA ASP 65 -3.794 -3.832 -5.201 464 HB2 ASP 65 1HB ASP 65 -2.740 -4.035 -7.267 465 HB3 ASP 65 2HB ASP 65 -2.876 -5.713 -6.749 466 H VAL 66 H VAL 66 -4.517 -1.883 -5.934 467 HA VAL 66 HA VAL 66 -7.018 -1.840 -7.478 468 HB VAL 66 HB VAL 66 -7.864 0.006 -6.078 469 HG11 VAL 66 1HG1 VAL 66 -8.994 -1.629 -5.089 470 HG12 VAL 66 2HG1 VAL 66 -7.661 -2.756 -5.351 471 HG13 VAL 66 3HG1 VAL 66 -7.703 -1.761 -3.894 472 HG21 VAL 66 1HG2 VAL 66 -5.254 0.114 -5.132 473 HG22 VAL 66 2HG2 VAL 66 -6.634 1.031 -4.528 474 HG23 VAL 66 3HG2 VAL 66 -6.192 -0.499 -3.771 475 H ASP 67 H ASP 67 -7.149 -0.276 -9.003 476 HA ASP 67 HA ASP 67 -4.750 1.167 -9.649 477 HB2 ASP 67 1HB ASP 67 -6.249 0.141 -11.367 478 HB3 ASP 67 2HB ASP 67 -7.466 1.349 -10.965 479 H VAL 68 H VAL 68 -4.220 3.037 -8.753 480 HA VAL 68 HA VAL 68 -6.378 4.904 -8.007 481 HB VAL 68 HB VAL 68 -3.693 4.545 -6.669 482 HG11 VAL 68 1HG1 VAL 68 -5.934 6.383 -5.850 483 HG12 VAL 68 2HG1 VAL 68 -4.314 6.278 -5.159 484 HG13 VAL 68 3HG1 VAL 68 -4.538 6.905 -6.792 485 HG21 VAL 68 1HG2 VAL 68 -6.475 4.019 -5.628 486 HG22 VAL 68 2HG2 VAL 68 -5.337 2.781 -6.159 487 HG23 VAL 68 3HG2 VAL 68 -4.964 3.776 -4.752 488 H SER 69 H SER 69 -6.373 6.794 -9.026 489 HA SER 69 HA SER 69 -3.986 7.551 -10.557 490 HB2 SER 69 1HB SER 69 -6.901 8.276 -10.845 491 HB3 SER 69 2HB SER 69 -5.626 9.125 -11.719 492 HG SER 69 HG SER 69 -5.517 6.372 -11.869 493 H SER 70 H SER 70 -3.601 8.060 -7.975 494 HA SER 70 HA SER 70 -3.186 10.851 -7.890 495 HB2 SER 70 1HB SER 70 -5.743 10.441 -7.319 496 HB3 SER 70 2HB SER 70 -5.089 10.065 -5.725 497 HG SER 70 HG SER 70 -4.462 12.439 -7.138 498 H HIS 71 H HIS 71 -2.499 11.522 -5.565 499 HA HIS 71 HA HIS 71 -0.454 9.701 -4.759 500 HB2 HIS 71 1HB HIS 71 -1.383 12.385 -3.776 501 HB3 HIS 71 2HB HIS 71 -0.183 11.463 -2.874 502 HD1 HIS 71 1HD HIS 71 0.005 14.223 -4.737 503 HD2 HIS 71 2HD HIS 71 1.682 10.475 -5.372 504 HE1 HIS 71 1HE HIS 71 1.966 14.613 -6.262 505 HE2 HIS 71 2HE HIS 71 2.914 12.321 -6.701 506 H SER 72 H SER 72 -3.664 10.447 -3.648 507 HA SER 72 HA SER 72 -3.349 8.428 -1.530 508 HB2 SER 72 1HB SER 72 -3.536 10.280 -0.174 509 HB3 SER 72 2HB SER 72 -4.481 11.184 -1.357 510 HG SER 72 HG SER 72 -5.311 9.472 0.632 511 H TYR 73 H TYR 73 -5.208 7.183 -1.054 512 HA TYR 73 HA TYR 73 -7.453 7.426 -2.923 513 HB2 TYR 73 1HB TYR 73 -5.850 5.775 -3.854 514 HB3 TYR 73 2HB TYR 73 -6.000 4.829 -2.377 515 HD1 TYR 73 2HD TYR 73 -7.969 6.159 -5.238 516 HD2 TYR 73 1HD TYR 73 -7.697 3.232 -2.161 517 HE1 TYR 73 2HE TYR 73 -9.900 4.977 -6.199 518 HE2 TYR 73 1HE TYR 73 -9.627 2.042 -3.115 519 HH TYR 73 HH TYR 73 -11.496 2.411 -4.543 520 H THR 74 H THR 74 -9.235 5.822 -2.282 521 HA THR 74 HA THR 74 -9.334 5.465 0.634 522 HB THR 74 HB THR 74 -11.518 6.711 -1.047 523 HG1 THR 74 1HG THR 74 -10.398 7.893 1.243 524 HG21 THR 74 1HG2 THR 74 -12.299 6.976 1.551 525 HG22 THR 74 2HG2 THR 74 -11.557 5.376 1.569 526 HG23 THR 74 3HG2 THR 74 -12.878 5.724 0.453 527 H ILE 75 H ILE 75 -9.690 3.394 1.047 528 HA ILE 75 HA ILE 75 -11.151 1.774 -0.917 529 HB ILE 75 HB ILE 75 -9.361 0.940 1.367 530 HG12 ILE 75 1HG1 ILE 75 -8.928 0.430 -1.566 531 HG13 ILE 75 2HG1 ILE 75 -8.402 1.935 -0.819 532 HG21 ILE 75 1HG2 ILE 75 -10.523 -0.966 1.336 533 HG22 ILE 75 2HG2 ILE 75 -11.351 -0.537 -0.160 534 HG23 ILE 75 3HG2 ILE 75 -9.748 -1.269 -0.219 535 HD11 ILE 75 1HD1 ILE 75 -6.611 0.266 -0.983 536 HD12 ILE 75 2HD1 ILE 75 -6.959 0.724 0.684 537 HD13 ILE 75 3HD1 ILE 75 -7.545 -0.814 0.051 538 H ASN 76 H ASN 76 -13.235 1.463 -0.534 539 HA ASN 76 HA ASN 76 -14.187 1.470 2.247 540 HB2 ASN 76 1HB ASN 76 -16.476 1.699 1.011 541 HB3 ASN 76 2HB ASN 76 -15.420 3.103 1.141 542 HD21 ASN 76 1HD2 ASN 76 -15.737 4.225 -0.651 543 HD22 ASN 76 2HD2 ASN 76 -15.651 3.599 -2.259 544 H GLY 77 H GLY 77 -15.861 -0.062 2.844 545 HA2 GLY 77 1HA GLY 77 -17.041 -2.085 2.610 546 HA3 GLY 77 2HA GLY 77 -16.137 -2.417 1.140 547 H LEU 78 H LEU 78 -15.237 -1.769 4.530 548 HA LEU 78 HA LEU 78 -13.701 -4.283 4.486 549 HB2 LEU 78 1HB LEU 78 -12.941 -1.796 6.003 550 HB3 LEU 78 2HB LEU 78 -11.994 -3.271 5.824 551 HG LEU 78 HG LEU 78 -12.664 -1.388 3.564 552 HD11 LEU 78 1HD1 LEU 78 -10.294 -1.560 5.392 553 HD12 LEU 78 2HD1 LEU 78 -11.236 -0.145 4.926 554 HD13 LEU 78 3HD1 LEU 78 -10.156 -0.908 3.759 555 HD21 LEU 78 1HD2 LEU 78 -10.663 -3.638 3.718 556 HD22 LEU 78 2HD2 LEU 78 -11.032 -2.638 2.313 557 HD23 LEU 78 3HD2 LEU 78 -12.245 -3.752 2.947 558 H LYS 79 H LYS 79 -13.116 -4.935 6.837 559 HA LYS 79 HA LYS 79 -15.608 -5.222 8.251 560 HB2 LYS 79 1HB LYS 79 -12.823 -6.278 8.701 561 HB3 LYS 79 2HB LYS 79 -14.115 -6.541 9.865 562 HG2 LYS 79 1HG LYS 79 -15.441 -7.556 7.965 563 HG3 LYS 79 2HG LYS 79 -13.941 -7.528 7.035 564 HD2 LYS 79 1HD LYS 79 -13.883 -8.731 9.754 565 HD3 LYS 79 2HD LYS 79 -14.661 -9.642 8.458 566 HE2 LYS 79 1HE LYS 79 -12.689 -9.800 7.225 567 HE3 LYS 79 2HE LYS 79 -11.932 -8.460 8.085 568 HZ1 LYS 79 1HZ LYS 79 -12.647 -10.910 9.548 569 HZ2 LYS 79 2HZ LYS 79 -11.436 -9.779 9.883 570 HZ3 LYS 79 3HZ LYS 79 -11.237 -10.880 8.614 571 H LYS 80 H LYS 80 -16.017 -4.600 10.403 572 HA LYS 80 HA LYS 80 -14.893 -2.050 11.108 573 HB2 LYS 80 1HB LYS 80 -17.098 -3.778 12.129 574 HB3 LYS 80 2HB LYS 80 -16.438 -2.558 13.210 575 HG2 LYS 80 1HG LYS 80 -17.268 -0.826 11.994 576 HG3 LYS 80 2HG LYS 80 -17.171 -1.707 10.467 577 HD2 LYS 80 1HD LYS 80 -19.029 -3.192 11.645 578 HD3 LYS 80 2HD LYS 80 -19.314 -1.689 12.526 579 HE2 LYS 80 1HE LYS 80 -20.707 -1.351 10.754 580 HE3 LYS 80 2HE LYS 80 -19.225 -0.670 10.085 581 HZ1 LYS 80 1HZ LYS 80 -20.027 -2.069 8.428 582 HZ2 LYS 80 2HZ LYS 80 -20.463 -3.291 9.514 583 HZ3 LYS 80 3HZ LYS 80 -18.831 -3.001 9.178 584 H TYR 81 H TYR 81 -13.643 -1.537 12.882 585 HA TYR 81 HA TYR 81 -11.888 -1.856 14.308 586 HB2 TYR 81 1HB TYR 81 -13.961 -2.459 15.668 587 HB3 TYR 81 2HB TYR 81 -13.520 -4.143 15.405 588 HD1 TYR 81 2HD TYR 81 -11.737 -1.010 16.419 589 HD2 TYR 81 1HD TYR 81 -12.469 -5.129 17.194 590 HE1 TYR 81 2HE TYR 81 -10.220 -0.909 18.352 591 HE2 TYR 81 1HE TYR 81 -10.955 -5.039 19.131 592 HH TYR 81 HH TYR 81 -8.936 -2.297 19.760 593 H THR 82 H THR 82 -11.416 -3.065 11.879 594 HA THR 82 HA THR 82 -9.903 -5.459 12.689 595 HB THR 82 HB THR 82 -11.419 -5.037 10.110 596 HG1 THR 82 1HG THR 82 -12.493 -5.918 12.049 597 HG21 THR 82 1HG2 THR 82 -10.484 -7.128 9.328 598 HG22 THR 82 2HG2 THR 82 -9.558 -7.308 10.818 599 HG23 THR 82 3HG2 THR 82 -9.175 -6.004 9.694 600 H GLU 83 H GLU 83 -7.824 -5.603 11.979 601 HA GLU 83 HA GLU 83 -6.622 -3.197 10.958 602 HB2 GLU 83 1HB GLU 83 -5.675 -4.912 12.688 603 HB3 GLU 83 2HB GLU 83 -5.149 -5.790 11.258 604 HG2 GLU 83 1HG GLU 83 -3.845 -3.893 10.527 605 HG3 GLU 83 2HG GLU 83 -4.431 -2.936 11.886 606 H TYR 84 H TYR 84 -5.445 -2.977 9.031 607 HA TYR 84 HA TYR 84 -5.673 -5.092 7.036 608 HB2 TYR 84 1HB TYR 84 -6.951 -2.382 6.822 609 HB3 TYR 84 2HB TYR 84 -6.437 -3.246 5.377 610 HD1 TYR 84 2HD TYR 84 -7.422 -5.527 4.917 611 HD2 TYR 84 1HD TYR 84 -8.974 -2.924 7.904 612 HE1 TYR 84 2HE TYR 84 -9.529 -6.796 4.920 613 HE2 TYR 84 1HE TYR 84 -11.084 -4.187 7.916 614 HH TYR 84 HH TYR 84 -12.086 -6.117 5.603 615 H SER 85 H SER 85 -3.899 -5.237 5.813 616 HA SER 85 HA SER 85 -1.754 -3.349 6.247 617 HB2 SER 85 1HB SER 85 -1.647 -5.974 5.996 618 HB3 SER 85 2HB SER 85 -1.550 -5.593 4.277 619 HG SER 85 HG SER 85 0.110 -4.009 5.686 620 H PHE 86 H PHE 86 -0.877 -1.958 4.778 621 HA PHE 86 HA PHE 86 -2.055 -1.854 2.095 622 HB2 PHE 86 1HB PHE 86 -1.824 0.470 4.013 623 HB3 PHE 86 2HB PHE 86 -2.166 0.646 2.295 624 HD1 PHE 86 2HD PHE 86 -4.236 -0.581 1.389 625 HD2 PHE 86 1HD PHE 86 -3.551 0.169 5.523 626 HE1 PHE 86 2HE PHE 86 -6.637 -0.877 1.837 627 HE2 PHE 86 1HE PHE 86 -5.951 -0.127 5.978 628 HZ PHE 86 HZ PHE 86 -7.498 -0.650 4.134 629 H ARG 87 H ARG 87 -0.683 -1.208 0.486 630 HA ARG 87 HA ARG 87 1.928 -0.119 1.168 631 HB2 ARG 87 1HB ARG 87 3.199 -1.837 0.122 632 HB3 ARG 87 2HB ARG 87 2.100 -2.635 1.240 633 HG2 ARG 87 1HG ARG 87 0.880 -3.601 -0.424 634 HG3 ARG 87 2HG ARG 87 1.226 -2.310 -1.577 635 HD2 ARG 87 1HD ARG 87 3.277 -3.195 -2.154 636 HD3 ARG 87 2HD ARG 87 3.444 -4.069 -0.632 637 HE ARG 87 HE ARG 87 1.272 -5.069 -2.169 638 HH11 ARG 87 2HH1 ARG 87 4.743 -5.113 -1.907 639 HH12 ARG 87 1HH1 ARG 87 4.910 -6.664 -2.659 640 HH21 ARG 87 2HH2 ARG 87 1.479 -7.112 -3.160 641 HH22 ARG 87 1HH2 ARG 87 3.053 -7.801 -3.372 642 H VAL 88 H VAL 88 3.143 0.572 -0.751 643 HA VAL 88 HA VAL 88 1.414 1.042 -3.089 644 HB VAL 88 HB VAL 88 3.277 3.061 -1.830 645 HG11 VAL 88 1HG1 VAL 88 1.495 4.136 -3.797 646 HG12 VAL 88 2HG1 VAL 88 3.259 4.173 -3.753 647 HG13 VAL 88 3HG1 VAL 88 2.423 2.811 -4.498 648 HG21 VAL 88 1HG2 VAL 88 1.189 2.735 -0.578 649 HG22 VAL 88 2HG2 VAL 88 1.264 4.329 -1.329 650 HG23 VAL 88 3HG2 VAL 88 0.267 3.063 -2.046 651 H VAL 89 H VAL 89 2.371 0.892 -5.069 652 HA VAL 89 HA VAL 89 5.269 0.370 -5.135 653 HB VAL 89 HB VAL 89 3.134 -1.153 -6.634 654 HG11 VAL 89 1HG1 VAL 89 5.748 -0.576 -7.450 655 HG12 VAL 89 2HG1 VAL 89 5.785 -2.240 -6.864 656 HG13 VAL 89 3HG1 VAL 89 4.651 -1.776 -8.133 657 HG21 VAL 89 1HG2 VAL 89 3.197 -2.105 -4.526 658 HG22 VAL 89 2HG2 VAL 89 4.377 -3.077 -5.406 659 HG23 VAL 89 3HG2 VAL 89 4.921 -1.795 -4.324 660 H ALA 90 H ALA 90 6.383 1.358 -6.727 661 HA ALA 90 HA ALA 90 4.947 3.254 -8.393 662 HB1 ALA 90 1HB ALA 90 7.068 4.237 -8.855 663 HB2 ALA 90 2HB ALA 90 7.022 3.862 -7.132 664 HB3 ALA 90 3HB ALA 90 7.923 2.824 -8.236 665 H TYR 91 H TYR 91 4.718 3.153 -10.565 666 HA TYR 91 HA TYR 91 6.000 0.911 -11.977 667 HB2 TYR 91 1HB TYR 91 3.112 1.704 -11.914 668 HB3 TYR 91 2HB TYR 91 3.774 0.964 -13.367 669 HD1 TYR 91 1HD TYR 91 4.739 -1.338 -13.241 670 HD2 TYR 91 2HD TYR 91 2.629 0.408 -9.985 671 HE1 TYR 91 1HE TYR 91 4.442 -3.567 -12.246 672 HE2 TYR 91 2HE TYR 91 2.328 -1.816 -8.980 673 HH TYR 91 HH TYR 91 3.224 -3.999 -9.036 674 H ASN 92 H ASN 92 7.360 1.768 -13.398 675 HA ASN 92 HA ASN 92 6.417 3.996 -15.067 676 HB2 ASN 92 1HB ASN 92 8.578 5.074 -14.962 677 HB3 ASN 92 2HB ASN 92 7.992 4.828 -13.320 678 HD21 ASN 92 1HD2 ASN 92 10.275 5.143 -12.809 679 HD22 ASN 92 2HD2 ASN 92 11.334 3.779 -12.868 680 H LYS 93 H LYS 93 7.729 4.230 -17.085 681 HA LYS 93 HA LYS 93 7.614 2.160 -18.764 682 HB2 LYS 93 1HB LYS 93 9.485 3.158 -20.063 683 HB3 LYS 93 2HB LYS 93 8.290 4.339 -19.544 684 HG2 LYS 93 1HG LYS 93 9.851 4.782 -17.570 685 HG3 LYS 93 2HG LYS 93 11.064 3.898 -18.499 686 HD2 LYS 93 1HD LYS 93 11.032 5.481 -20.242 687 HD3 LYS 93 2HD LYS 93 9.529 6.204 -19.666 688 HE2 LYS 93 1HE LYS 93 10.651 7.100 -17.729 689 HE3 LYS 93 2HE LYS 93 12.143 6.268 -18.165 690 HZ1 LYS 93 1HZ LYS 93 12.604 7.752 -19.803 691 HZ2 LYS 93 2HZ LYS 93 11.741 8.778 -18.772 692 HZ3 LYS 93 3HZ LYS 93 10.980 8.102 -20.124 693 H HIS 94 H HIS 94 10.447 2.833 -16.724 694 HA HIS 94 HA HIS 94 12.092 0.767 -17.538 695 HB2 HIS 94 1HB HIS 94 11.838 1.652 -14.664 696 HB3 HIS 94 2HB HIS 94 13.270 1.033 -15.482 697 HD1 HIS 94 1HD HIS 94 14.798 2.723 -16.502 698 HD2 HIS 94 2HD HIS 94 11.075 4.316 -15.573 699 HE1 HIS 94 1HE HIS 94 15.004 5.196 -16.911 700 HE2 HIS 94 2HE HIS 94 12.765 6.150 -16.261 701 H GLY 95 H GLY 95 10.147 0.647 -14.545 702 HA2 GLY 95 1HA GLY 95 8.725 -1.650 -14.966 703 HA3 GLY 95 2HA GLY 95 10.308 -2.218 -14.457 704 HA PRO 96 HA PRO 96 7.539 -1.247 -10.764 705 HB2 PRO 96 1HB PRO 96 7.385 -3.782 -9.806 706 HB3 PRO 96 2HB PRO 96 6.230 -3.124 -10.971 707 HG2 PRO 96 1HG PRO 96 8.603 -4.887 -11.444 708 HG3 PRO 96 2HG PRO 96 6.979 -4.985 -12.148 709 HD2 PRO 96 1HD PRO 96 9.079 -3.908 -13.475 710 HD3 PRO 96 2HD PRO 96 7.413 -3.334 -13.697 711 H GLY 97 H GLY 97 8.931 -0.289 -9.398 712 HA2 GLY 97 1HA GLY 97 11.455 -1.528 -8.706 713 HA3 GLY 97 2HA GLY 97 10.876 0.040 -8.163 714 H VAL 98 H VAL 98 11.862 -0.807 -6.121 715 HA VAL 98 HA VAL 98 10.937 -2.947 -4.654 716 HB VAL 98 HB VAL 98 11.608 -1.735 -2.636 717 HG11 VAL 98 1HG1 VAL 98 13.759 -2.075 -3.120 718 HG12 VAL 98 2HG1 VAL 98 13.219 -2.440 -4.760 719 HG13 VAL 98 3HG1 VAL 98 13.765 -0.813 -4.351 720 HG21 VAL 98 1HG2 VAL 98 11.586 0.486 -2.459 721 HG22 VAL 98 2HG2 VAL 98 12.549 0.682 -3.923 722 HG23 VAL 98 3HG2 VAL 98 10.796 0.521 -4.035 723 H SER 99 H SER 99 9.708 -2.529 -2.442 724 HA SER 99 HA SER 99 7.255 -1.006 -2.992 725 HB2 SER 99 1HB SER 99 6.698 -3.296 -3.502 726 HB3 SER 99 2HB SER 99 7.427 -3.858 -1.998 727 HG SER 99 HG SER 99 5.750 -3.100 -0.876 728 H THR 100 H THR 100 6.451 0.114 -1.303 729 HA THR 100 HA THR 100 8.029 0.670 0.925 730 HB THR 100 HB THR 100 5.754 1.542 1.890 731 HG1 THR 100 1HG THR 100 4.154 1.754 0.339 732 HG21 THR 100 1HG2 THR 100 6.031 3.183 -0.391 733 HG22 THR 100 2HG2 THR 100 7.638 2.562 -0.009 734 HG23 THR 100 3HG2 THR 100 6.715 3.434 1.215 735 HA PRO 101 HA PRO 101 7.216 -2.460 3.893 736 HB2 PRO 101 1HB PRO 101 7.161 -1.038 6.206 737 HB3 PRO 101 2HB PRO 101 8.649 -1.347 5.303 738 HG2 PRO 101 1HG PRO 101 6.926 1.101 5.335 739 HG3 PRO 101 2HG PRO 101 8.695 0.976 5.378 740 HD2 PRO 101 1HD PRO 101 7.330 1.562 3.114 741 HD3 PRO 101 2HD PRO 101 8.853 0.649 3.102 742 H ASP 102 H ASP 102 5.441 -3.533 4.487 743 HA ASP 102 HA ASP 102 2.878 -2.874 4.095 744 HB2 ASP 102 1HB ASP 102 3.603 -4.341 6.623 745 HB3 ASP 102 2HB ASP 102 2.222 -4.601 5.562 746 H VAL 103 H VAL 103 1.283 -1.673 4.988 747 HA VAL 103 HA VAL 103 1.931 -0.182 7.448 748 HB VAL 103 HB VAL 103 0.446 0.824 5.017 749 HG11 VAL 103 1HG1 VAL 103 1.043 2.841 6.968 750 HG12 VAL 103 2HG1 VAL 103 -0.513 2.386 6.272 751 HG13 VAL 103 3HG1 VAL 103 0.091 1.552 7.704 752 HG21 VAL 103 1HG2 VAL 103 2.520 2.556 5.701 753 HG22 VAL 103 2HG2 VAL 103 3.206 0.939 5.855 754 HG23 VAL 103 3HG2 VAL 103 2.472 1.444 4.333 755 H ALA 104 H ALA 104 0.802 -1.942 8.538 756 HA ALA 104 HA ALA 104 -1.959 -2.447 8.057 757 HB1 ALA 104 1HB ALA 104 -1.230 -4.234 9.192 758 HB2 ALA 104 2HB ALA 104 0.077 -3.333 9.960 759 HB3 ALA 104 3HB ALA 104 -1.553 -3.263 10.629 760 H VAL 105 H VAL 105 -3.738 -1.493 8.860 761 HA VAL 105 HA VAL 105 -3.455 0.432 11.055 762 HB VAL 105 HB VAL 105 -3.382 1.681 8.903 763 HG11 VAL 105 1HG1 VAL 105 -4.700 0.409 7.435 764 HG12 VAL 105 2HG1 VAL 105 -6.068 0.383 8.549 765 HG13 VAL 105 3HG1 VAL 105 -5.633 1.878 7.720 766 HG21 VAL 105 1HG2 VAL 105 -4.413 2.507 11.112 767 HG22 VAL 105 2HG2 VAL 105 -4.758 3.413 9.638 768 HG23 VAL 105 3HG2 VAL 105 -5.963 2.305 10.295 769 H ARG 106 H ARG 106 -5.246 0.647 12.367 770 HA ARG 106 HA ARG 106 -7.289 -1.418 12.014 771 HB2 ARG 106 1HB ARG 106 -5.893 -1.069 14.171 772 HB3 ARG 106 2HB ARG 106 -6.971 0.288 14.465 773 HG2 ARG 106 1HG ARG 106 -8.890 -1.299 14.279 774 HG3 ARG 106 2HG ARG 106 -7.715 -2.614 14.216 775 HD2 ARG 106 1HD ARG 106 -7.854 -0.599 16.450 776 HD3 ARG 106 2HD ARG 106 -8.684 -2.155 16.485 777 HE ARG 106 HE ARG 106 -6.157 -2.889 15.988 778 HH11 ARG 106 2HH1 ARG 106 -7.518 -0.713 18.341 779 HH12 ARG 106 1HH1 ARG 106 -6.285 -1.011 19.521 780 HH21 ARG 106 2HH2 ARG 106 -4.529 -3.289 17.534 781 HH22 ARG 106 1HH2 ARG 106 -4.585 -2.476 19.061 782 H THR 107 H THR 107 -9.322 -0.950 11.482 783 HA THR 107 HA THR 107 -10.071 1.729 10.839 784 HB THR 107 HB THR 107 -12.392 0.588 10.528 785 HG1 THR 107 1HG THR 107 -12.360 -1.615 10.497 786 HG21 THR 107 1HG2 THR 107 -11.736 0.726 8.405 787 HG22 THR 107 2HG2 THR 107 -10.842 -0.784 8.582 788 HG23 THR 107 3HG2 THR 107 -10.050 0.755 8.920 789 H LEU 108 H LEU 108 -11.882 2.896 11.696 790 HA LEU 108 HA LEU 108 -11.886 3.180 14.457 791 HB2 LEU 108 1HB LEU 108 -14.204 3.884 12.674 792 HB3 LEU 108 2HB LEU 108 -13.741 4.647 14.193 793 HG LEU 108 HG LEU 108 -12.154 4.788 11.630 794 HD11 LEU 108 1HD1 LEU 108 -13.377 7.212 12.741 795 HD12 LEU 108 2HD1 LEU 108 -14.516 6.037 12.084 796 HD13 LEU 108 3HD1 LEU 108 -13.225 6.676 11.067 797 HD21 LEU 108 1HD2 LEU 108 -11.250 6.811 13.107 798 HD22 LEU 108 2HD2 LEU 108 -10.544 5.196 13.177 799 HD23 LEU 108 3HD2 LEU 108 -11.698 5.708 14.409 800 H SER 109 H SER 109 -13.354 2.612 16.084 801 HA SER 109 HA SER 109 -14.782 0.112 15.555 802 HB2 SER 109 1HB SER 109 -14.760 -0.218 17.968 803 HB3 SER 109 2HB SER 109 -13.133 0.170 17.411 804 HG SER 109 HG SER 109 -14.936 2.093 18.453 805 H ASP 110 H ASP 110 -16.874 0.238 15.131 806 HA ASP 110 HA ASP 110 -18.499 2.440 15.273 807 HB2 ASP 110 1HB ASP 110 -20.417 0.852 15.247 808 HB3 ASP 110 2HB ASP 110 -19.175 0.458 14.062 809 H SER 111 H SER 111 -19.727 3.443 16.778 810 HA SER 111 HA SER 111 -19.101 3.418 19.438 811 HB2 SER 111 1HB SER 111 -20.471 5.165 18.345 812 HB3 SER 111 2HB SER 111 -21.831 4.044 18.282 813 HG SER 111 HG SER 111 -20.704 4.330 20.775 814 H GLY 112 H GLY 112 -19.676 2.302 21.233 815 HA2 GLY 112 1HA GLY 112 -21.959 0.602 21.378 816 HA3 GLY 112 2HA GLY 112 -20.498 -0.332 21.088 817 HA PRO 113 HA PRO 113 -21.038 0.176 25.670 818 HB2 PRO 113 1HB PRO 113 -20.600 -2.439 26.252 819 HB3 PRO 113 2HB PRO 113 -22.195 -1.802 25.836 820 HG2 PRO 113 1HG PRO 113 -20.226 -3.251 24.109 821 HG3 PRO 113 2HG PRO 113 -21.984 -3.455 24.215 822 HD2 PRO 113 1HD PRO 113 -20.797 -2.043 22.232 823 HD3 PRO 113 2HD PRO 113 -22.403 -1.631 22.869 824 H SER 114 H SER 114 -19.088 1.356 25.735 825 HA SER 114 HA SER 114 -16.608 -0.215 25.735 826 HB2 SER 114 1HB SER 114 -16.588 1.736 24.267 827 HB3 SER 114 2HB SER 114 -17.034 2.781 25.616 828 HG SER 114 HG SER 114 -14.959 1.641 26.515 829 H SER 115 H SER 115 -15.970 -0.928 27.650 830 HA SER 115 HA SER 115 -16.352 0.815 29.995 831 HB2 SER 115 1HB SER 115 -16.733 -1.133 31.377 832 HB3 SER 115 2HB SER 115 -17.849 -1.191 30.013 833 HG SER 115 HG SER 115 -16.562 -3.170 30.623 834 H GLY 116 H GLY 116 -14.392 -1.768 28.554 835 HA2 GLY 116 1HA GLY 116 -11.929 -1.002 28.604 836 HA3 GLY 116 2HA GLY 116 -12.177 -1.022 30.343 Start of MODEL 12 1 H1 GLY 1 H GLY 1 -13.907 -24.673 -2.940 2 HA2 GLY 1 1HA GLY 1 -12.443 -26.089 -4.484 3 HA3 GLY 1 2HA GLY 1 -12.829 -24.859 -5.678 4 H SER 2 H SER 2 -10.231 -25.679 -4.571 5 HA SER 2 HA SER 2 -9.268 -23.012 -3.931 6 HB2 SER 2 1HB SER 2 -9.763 -24.096 -1.732 7 HB3 SER 2 2HB SER 2 -8.600 -25.357 -2.138 8 HG SER 2 HG SER 2 -7.022 -24.039 -1.682 9 H SER 3 H SER 3 -6.786 -23.068 -3.759 10 HA SER 3 HA SER 3 -5.630 -25.145 -5.474 11 HB2 SER 3 1HB SER 3 -4.575 -23.557 -6.931 12 HB3 SER 3 2HB SER 3 -6.288 -23.144 -6.864 13 HG SER 3 HG SER 3 -5.028 -21.285 -6.620 14 H GLY 4 H GLY 4 -3.140 -24.731 -5.625 15 HA2 GLY 4 1HA GLY 4 -2.150 -23.780 -3.016 16 HA3 GLY 4 2HA GLY 4 -1.699 -25.372 -3.608 17 H SER 5 H SER 5 -0.127 -22.885 -2.990 18 HA SER 5 HA SER 5 0.932 -22.111 -5.578 19 HB2 SER 5 1HB SER 5 2.445 -20.653 -4.226 20 HB3 SER 5 2HB SER 5 0.734 -20.373 -3.903 21 HG SER 5 HG SER 5 1.455 -20.593 -1.911 22 H SER 6 H SER 6 2.114 -23.743 -2.650 23 HA SER 6 HA SER 6 3.835 -25.188 -2.296 24 HB2 SER 6 1HB SER 6 3.464 -25.680 -5.259 25 HB3 SER 6 2HB SER 6 4.484 -26.663 -4.209 26 HG SER 6 HG SER 6 2.187 -27.333 -4.613 27 H GLY 7 H GLY 7 4.581 -22.558 -2.523 28 HA2 GLY 7 1HA GLY 7 6.436 -21.236 -2.802 29 HA3 GLY 7 2HA GLY 7 7.341 -22.734 -2.957 30 H ARG 8 H ARG 8 8.318 -20.760 -4.383 31 HA ARG 8 HA ARG 8 7.987 -21.654 -7.084 32 HB2 ARG 8 1HB ARG 8 7.266 -19.563 -8.064 33 HB3 ARG 8 2HB ARG 8 6.083 -20.083 -6.871 34 HG2 ARG 8 1HG ARG 8 6.678 -18.418 -5.366 35 HG3 ARG 8 2HG ARG 8 8.242 -18.147 -6.139 36 HD2 ARG 8 1HD ARG 8 7.147 -17.168 -8.069 37 HD3 ARG 8 2HD ARG 8 5.565 -17.508 -7.371 38 HE ARG 8 HE ARG 8 7.053 -15.937 -5.577 39 HH11 ARG 8 2HH1 ARG 8 5.451 -15.716 -8.660 40 HH12 ARG 8 1HH1 ARG 8 5.109 -14.025 -8.508 41 HH21 ARG 8 2HH2 ARG 8 6.609 -13.710 -5.365 42 HH22 ARG 8 1HH2 ARG 8 5.769 -12.884 -6.634 43 H VAL 9 H VAL 9 9.466 -20.468 -8.582 44 HA VAL 9 HA VAL 9 12.054 -20.356 -7.573 45 HB VAL 9 HB VAL 9 12.701 -19.301 -9.694 46 HG11 VAL 9 1HG1 VAL 9 12.098 -21.094 -11.118 47 HG12 VAL 9 2HG1 VAL 9 12.160 -21.760 -9.485 48 HG13 VAL 9 3HG1 VAL 9 10.604 -21.391 -10.230 49 HG21 VAL 9 1HG2 VAL 9 9.745 -18.876 -9.935 50 HG22 VAL 9 2HG2 VAL 9 11.057 -17.722 -10.170 51 HG23 VAL 9 3HG2 VAL 9 10.766 -18.982 -11.369 52 H GLU 10 H GLU 10 13.502 -18.333 -7.944 53 HA GLU 10 HA GLU 10 12.172 -15.904 -6.980 54 HB2 GLU 10 1HB GLU 10 14.402 -17.393 -5.640 55 HB3 GLU 10 2HB GLU 10 14.291 -15.646 -5.475 56 HG2 GLU 10 1HG GLU 10 11.975 -15.936 -4.622 57 HG3 GLU 10 2HG GLU 10 12.234 -17.679 -4.652 58 H THR 11 H THR 11 12.573 -14.461 -8.519 59 HA THR 11 HA THR 11 15.342 -14.180 -9.476 60 HB THR 11 HB THR 11 12.912 -13.816 -11.235 61 HG1 THR 11 1HG THR 11 14.763 -15.983 -11.096 62 HG21 THR 11 1HG2 THR 11 15.864 -13.561 -11.624 63 HG22 THR 11 2HG2 THR 11 14.562 -12.517 -12.195 64 HG23 THR 11 3HG2 THR 11 14.852 -14.072 -12.974 65 H GLN 12 H GLN 12 16.117 -12.226 -9.062 66 HA GLN 12 HA GLN 12 14.469 -10.119 -8.087 67 HB2 GLN 12 1HB GLN 12 17.382 -10.196 -8.879 68 HB3 GLN 12 2HB GLN 12 16.604 -8.789 -8.167 69 HG2 GLN 12 1HG GLN 12 16.897 -11.499 -6.890 70 HG3 GLN 12 2HG GLN 12 17.814 -10.047 -6.491 71 HE21 GLN 12 1HE2 GLN 12 16.002 -11.764 -4.888 72 HE22 GLN 12 2HE2 GLN 12 14.829 -10.684 -4.223 73 HA PRO 13 HA PRO 13 13.335 -8.208 -11.894 74 HB2 PRO 13 1HB PRO 13 12.668 -5.763 -10.922 75 HB3 PRO 13 2HB PRO 13 11.654 -7.194 -10.701 76 HG2 PRO 13 1HG PRO 13 13.589 -5.931 -8.798 77 HG3 PRO 13 2HG PRO 13 11.966 -6.571 -8.483 78 HD2 PRO 13 1HD PRO 13 14.217 -7.957 -7.900 79 HD3 PRO 13 2HD PRO 13 12.707 -8.751 -8.390 80 H GLU 14 H GLU 14 13.641 -5.720 -12.737 81 HA GLU 14 HA GLU 14 16.381 -5.537 -13.402 82 HB2 GLU 14 1HB GLU 14 13.969 -3.840 -13.878 83 HB3 GLU 14 2HB GLU 14 15.557 -3.158 -14.199 84 HG2 GLU 14 1HG GLU 14 14.965 -4.006 -16.251 85 HG3 GLU 14 2HG GLU 14 15.938 -5.313 -15.577 86 H VAL 15 H VAL 15 17.525 -3.308 -13.191 87 HA VAL 15 HA VAL 15 17.557 -2.657 -10.329 88 HB VAL 15 HB VAL 15 19.791 -1.717 -10.736 89 HG11 VAL 15 1HG1 VAL 15 20.954 -3.810 -11.129 90 HG12 VAL 15 2HG1 VAL 15 19.530 -4.086 -10.124 91 HG13 VAL 15 3HG1 VAL 15 19.499 -4.511 -11.836 92 HG21 VAL 15 1HG2 VAL 15 20.084 -0.953 -12.836 93 HG22 VAL 15 2HG2 VAL 15 20.662 -2.591 -13.140 94 HG23 VAL 15 3HG2 VAL 15 19.001 -2.155 -13.538 95 H GLN 16 H GLN 16 17.088 -1.274 -13.496 96 HA GLN 16 HA GLN 16 17.160 1.453 -12.567 97 HB2 GLN 16 1HB GLN 16 16.232 0.286 -15.197 98 HB3 GLN 16 2HB GLN 16 16.420 2.002 -14.862 99 HG2 GLN 16 1HG GLN 16 18.738 1.862 -14.781 100 HG3 GLN 16 2HG GLN 16 18.717 0.115 -14.543 101 HE21 GLN 16 1HE2 GLN 16 17.638 -1.092 -16.408 102 HE22 GLN 16 2HE2 GLN 16 18.099 -0.593 -17.996 103 H LEU 17 H LEU 17 15.514 0.724 -10.838 104 HA LEU 17 HA LEU 17 12.797 1.180 -11.883 105 HB2 LEU 17 1HB LEU 17 13.839 -0.653 -9.794 106 HB3 LEU 17 2HB LEU 17 12.256 0.075 -9.528 107 HG LEU 17 HG LEU 17 12.107 -2.170 -10.513 108 HD11 LEU 17 1HD1 LEU 17 10.678 -1.525 -12.476 109 HD12 LEU 17 2HD1 LEU 17 11.186 0.141 -12.205 110 HD13 LEU 17 3HD1 LEU 17 10.285 -0.718 -10.957 111 HD21 LEU 17 1HD2 LEU 17 12.773 -2.438 -12.902 112 HD22 LEU 17 2HD2 LEU 17 14.129 -2.276 -11.785 113 HD23 LEU 17 3HD2 LEU 17 13.637 -0.905 -12.781 114 HA PRO 18 HA PRO 18 12.383 4.741 -9.354 115 HB2 PRO 18 1HB PRO 18 9.828 4.541 -8.460 116 HB3 PRO 18 2HB PRO 18 10.231 4.936 -10.135 117 HG2 PRO 18 1HG PRO 18 9.424 2.308 -8.950 118 HG3 PRO 18 2HG PRO 18 8.903 3.057 -10.470 119 HD2 PRO 18 1HD PRO 18 10.781 1.109 -10.375 120 HD3 PRO 18 2HD PRO 18 10.806 2.401 -11.592 121 H GLY 19 H GLY 19 11.780 5.523 -7.135 122 HA2 GLY 19 1HA GLY 19 12.729 3.576 -5.172 123 HA3 GLY 19 2HA GLY 19 12.634 5.316 -4.946 124 HA PRO 20 HA PRO 20 9.008 3.032 -2.926 125 HB2 PRO 20 1HB PRO 20 9.713 3.469 -0.340 126 HB3 PRO 20 2HB PRO 20 10.223 2.040 -1.247 127 HG2 PRO 20 1HG PRO 20 11.735 4.559 -0.674 128 HG3 PRO 20 2HG PRO 20 12.297 2.878 -0.611 129 HD2 PRO 20 1HD PRO 20 12.823 4.513 -2.705 130 HD3 PRO 20 2HD PRO 20 12.599 2.762 -2.893 131 H ALA 21 H ALA 21 7.274 4.305 -2.905 132 HA ALA 21 HA ALA 21 7.244 7.059 -2.909 133 HB1 ALA 21 1HB ALA 21 5.075 5.193 -1.958 134 HB2 ALA 21 2HB ALA 21 4.848 6.894 -2.365 135 HB3 ALA 21 3HB ALA 21 5.336 5.746 -3.612 136 HA PRO 22 HA PRO 22 8.391 7.775 1.377 137 HB2 PRO 22 1HB PRO 22 8.706 10.456 1.086 138 HB3 PRO 22 2HB PRO 22 9.929 9.285 0.579 139 HG2 PRO 22 1HG PRO 22 7.873 10.708 -1.066 140 HG3 PRO 22 2HG PRO 22 9.581 10.403 -1.430 141 HD2 PRO 22 1HD PRO 22 7.580 8.910 -2.477 142 HD3 PRO 22 2HD PRO 22 9.180 8.236 -2.107 143 H ASN 23 H ASN 23 7.660 9.665 2.927 144 HA ASN 23 HA ASN 23 5.878 10.243 4.258 145 HB2 ASN 23 1HB ASN 23 4.984 11.475 1.641 146 HB3 ASN 23 2HB ASN 23 4.493 11.984 3.254 147 HD21 ASN 23 1HD2 ASN 23 6.649 12.194 4.696 148 HD22 ASN 23 2HD2 ASN 23 7.806 13.274 4.004 149 H LEU 24 H LEU 24 5.511 7.655 3.538 150 HA LEU 24 HA LEU 24 2.878 7.299 2.394 151 HB2 LEU 24 1HB LEU 24 4.556 5.660 1.882 152 HB3 LEU 24 2HB LEU 24 4.855 5.369 3.594 153 HG LEU 24 HG LEU 24 2.567 4.425 3.782 154 HD11 LEU 24 1HD1 LEU 24 2.559 4.652 0.776 155 HD12 LEU 24 2HD1 LEU 24 1.574 5.614 1.878 156 HD13 LEU 24 3HD1 LEU 24 1.331 3.871 1.773 157 HD21 LEU 24 1HD2 LEU 24 4.320 3.116 1.705 158 HD22 LEU 24 2HD2 LEU 24 3.084 2.319 2.680 159 HD23 LEU 24 3HD2 LEU 24 4.523 2.986 3.452 160 H ARG 25 H ARG 25 1.232 7.938 3.650 161 HA ARG 25 HA ARG 25 1.225 7.068 6.465 162 HB2 ARG 25 1HB ARG 25 -0.458 9.292 5.323 163 HB3 ARG 25 2HB ARG 25 -0.120 8.945 7.014 164 HG2 ARG 25 1HG ARG 25 2.064 9.704 5.109 165 HG3 ARG 25 2HG ARG 25 1.079 10.920 5.924 166 HD2 ARG 25 1HD ARG 25 2.626 8.749 7.332 167 HD3 ARG 25 2HD ARG 25 3.211 10.395 7.095 168 HE ARG 25 HE ARG 25 1.185 9.513 8.963 169 HH11 ARG 25 2HH1 ARG 25 2.647 12.198 7.298 170 HH12 ARG 25 1HH1 ARG 25 2.097 13.377 8.443 171 HH21 ARG 25 2HH2 ARG 25 0.456 11.055 10.478 172 HH22 ARG 25 1HH2 ARG 25 0.852 12.725 10.252 173 H ALA 26 H ALA 26 -1.081 6.805 7.332 174 HA ALA 26 HA ALA 26 -3.124 6.023 5.493 175 HB1 ALA 26 1HB ALA 26 -3.058 3.598 6.563 176 HB2 ALA 26 2HB ALA 26 -2.165 3.997 5.095 177 HB3 ALA 26 3HB ALA 26 -1.333 3.959 6.650 178 H TYR 27 H TYR 27 -5.014 6.365 6.461 179 HA TYR 27 HA TYR 27 -5.306 5.852 9.320 180 HB2 TYR 27 1HB TYR 27 -6.472 8.092 9.565 181 HB3 TYR 27 2HB TYR 27 -4.722 8.154 9.388 182 HD1 TYR 27 2HD TYR 27 -3.730 8.856 7.215 183 HD2 TYR 27 1HD TYR 27 -7.912 9.097 7.958 184 HE1 TYR 27 2HE TYR 27 -3.972 10.401 5.317 185 HE2 TYR 27 1HE TYR 27 -8.166 10.642 6.061 186 HH TYR 27 HH TYR 27 -6.842 11.109 3.878 187 H ALA 28 H ALA 28 -7.397 5.386 9.964 188 HA ALA 28 HA ALA 28 -9.195 4.622 7.823 189 HB1 ALA 28 1HB ALA 28 -9.052 2.958 9.434 190 HB2 ALA 28 2HB ALA 28 -9.105 4.107 10.771 191 HB3 ALA 28 3HB ALA 28 -10.565 3.769 9.841 192 H ALA 29 H ALA 29 -10.376 6.236 6.990 193 HA ALA 29 HA ALA 29 -11.225 8.516 8.458 194 HB1 ALA 29 1HB ALA 29 -12.487 7.623 5.890 195 HB2 ALA 29 2HB ALA 29 -12.207 9.261 6.480 196 HB3 ALA 29 3HB ALA 29 -10.851 8.279 5.926 197 H SER 30 H SER 30 -12.860 5.559 7.386 198 HA SER 30 HA SER 30 -14.996 6.140 9.323 199 HB2 SER 30 1HB SER 30 -15.232 5.529 6.421 200 HB3 SER 30 2HB SER 30 -16.413 4.783 7.498 201 HG SER 30 HG SER 30 -15.930 7.475 7.920 202 HA PRO 31 HA PRO 31 -14.524 2.038 10.801 203 HB2 PRO 31 1HB PRO 31 -17.084 1.278 11.289 204 HB3 PRO 31 2HB PRO 31 -16.230 2.468 12.279 205 HG2 PRO 31 1HG PRO 31 -18.205 2.907 10.073 206 HG3 PRO 31 2HG PRO 31 -18.080 3.724 11.641 207 HD2 PRO 31 1HD PRO 31 -17.154 4.825 9.347 208 HD3 PRO 31 2HD PRO 31 -16.389 5.116 10.923 209 H THR 32 H THR 32 -15.826 2.628 7.812 210 HA THR 32 HA THR 32 -15.856 -0.242 7.169 211 HB THR 32 HB THR 32 -17.629 0.317 5.425 212 HG1 THR 32 1HG THR 32 -18.338 2.463 7.106 213 HG21 THR 32 1HG2 THR 32 -18.339 0.501 8.355 214 HG22 THR 32 2HG2 THR 32 -18.161 -0.977 7.410 215 HG23 THR 32 3HG2 THR 32 -19.476 0.142 7.056 216 H SER 33 H SER 33 -14.287 2.545 6.738 217 HA SER 33 HA SER 33 -13.264 1.714 4.131 218 HB2 SER 33 1HB SER 33 -13.646 3.706 3.032 219 HB3 SER 33 2HB SER 33 -15.077 3.647 4.060 220 HG SER 33 HG SER 33 -13.487 4.827 5.587 221 H ILE 34 H ILE 34 -11.319 3.253 3.567 222 HA ILE 34 HA ILE 34 -9.864 4.188 5.889 223 HB ILE 34 HB ILE 34 -8.836 1.863 4.259 224 HG12 ILE 34 1HG1 ILE 34 -9.445 2.103 7.214 225 HG13 ILE 34 2HG1 ILE 34 -10.452 1.270 6.035 226 HG21 ILE 34 1HG2 ILE 34 -6.832 2.790 4.634 227 HG22 ILE 34 2HG2 ILE 34 -7.464 3.892 5.856 228 HG23 ILE 34 3HG2 ILE 34 -7.055 2.234 6.293 229 HD11 ILE 34 1HD1 ILE 34 -7.737 0.312 5.944 230 HD12 ILE 34 2HD1 ILE 34 -8.417 0.181 7.566 231 HD13 ILE 34 3HD1 ILE 34 -9.240 -0.573 6.201 232 H THR 35 H THR 35 -8.507 5.808 5.382 233 HA THR 35 HA THR 35 -8.149 6.414 2.528 234 HB THR 35 HB THR 35 -7.869 8.285 4.888 235 HG1 THR 35 1HG THR 35 -9.893 9.098 4.117 236 HG21 THR 35 1HG2 THR 35 -6.585 9.244 3.210 237 HG22 THR 35 2HG2 THR 35 -8.169 9.965 2.921 238 HG23 THR 35 3HG2 THR 35 -7.616 8.620 1.923 239 H VAL 36 H VAL 36 -6.193 6.273 1.647 240 HA VAL 36 HA VAL 36 -3.847 6.267 3.433 241 HB VAL 36 HB VAL 36 -4.145 4.685 0.877 242 HG11 VAL 36 1HG1 VAL 36 -1.958 4.753 2.953 243 HG12 VAL 36 2HG1 VAL 36 -2.046 3.613 1.609 244 HG13 VAL 36 3HG1 VAL 36 -1.853 5.338 1.293 245 HG21 VAL 36 1HG2 VAL 36 -5.069 4.120 3.516 246 HG22 VAL 36 2HG2 VAL 36 -5.173 3.117 2.069 247 HG23 VAL 36 3HG2 VAL 36 -3.759 3.008 3.118 248 H THR 37 H THR 37 -2.378 7.779 3.023 249 HA THR 37 HA THR 37 -2.366 9.035 0.355 250 HB THR 37 HB THR 37 -1.685 11.139 1.407 251 HG1 THR 37 1HG THR 37 -0.755 10.039 3.313 252 HG21 THR 37 1HG2 THR 37 -4.032 10.600 3.064 253 HG22 THR 37 2HG2 THR 37 -4.211 10.062 1.394 254 HG23 THR 37 3HG2 THR 37 -3.819 11.746 1.741 255 H TRP 38 H TRP 38 -0.454 9.213 -0.673 256 HA TRP 38 HA TRP 38 2.015 8.725 0.832 257 HB2 TRP 38 1HB TRP 38 2.823 7.200 -0.939 258 HB3 TRP 38 2HB TRP 38 1.400 6.568 -0.115 259 HD1 TRP 38 HD TRP 38 2.554 7.907 -3.499 260 HE1 TRP 38 1HE TRP 38 0.767 7.345 -5.264 261 HE3 TRP 38 3HE TRP 38 -1.113 6.141 -0.406 262 HZ2 TRP 38 2HZ TRP 38 -1.852 6.293 -5.335 263 HZ3 TRP 38 3HZ TRP 38 -3.229 5.377 -1.402 264 HH2 TRP 38 HH TRP 38 -3.589 5.452 -3.816 265 H GLU 39 H GLU 39 3.978 9.188 -0.571 266 HA GLU 39 HA GLU 39 3.401 11.514 -2.286 267 HB2 GLU 39 1HB GLU 39 5.516 11.008 -0.240 268 HB3 GLU 39 2HB GLU 39 5.909 12.029 -1.617 269 HG2 GLU 39 1HG GLU 39 3.504 12.524 0.104 270 HG3 GLU 39 2HG GLU 39 5.094 13.181 0.488 271 H THR 40 H THR 40 5.112 11.964 -3.930 272 HA THR 40 HA THR 40 5.719 9.505 -5.349 273 HB THR 40 HB THR 40 6.070 12.394 -6.171 274 HG1 THR 40 1HG THR 40 3.880 11.599 -5.985 275 HG21 THR 40 1HG2 THR 40 6.650 11.650 -8.335 276 HG22 THR 40 2HG2 THR 40 6.203 9.984 -7.969 277 HG23 THR 40 3HG2 THR 40 7.641 10.693 -7.235 278 HA PRO 41 HA PRO 41 9.937 9.343 -4.052 279 HB2 PRO 41 1HB PRO 41 10.862 7.678 -5.986 280 HB3 PRO 41 2HB PRO 41 9.864 7.122 -4.637 281 HG2 PRO 41 1HG PRO 41 9.063 7.755 -7.451 282 HG3 PRO 41 2HG PRO 41 8.568 6.395 -6.426 283 HD2 PRO 41 1HD PRO 41 7.006 8.573 -6.812 284 HD3 PRO 41 2HD PRO 41 7.007 7.655 -5.292 285 H VAL 42 H VAL 42 11.115 11.144 -4.334 286 HA VAL 42 HA VAL 42 11.334 12.720 -6.584 287 HB VAL 42 HB VAL 42 13.364 13.661 -5.625 288 HG11 VAL 42 1HG1 VAL 42 11.381 12.963 -3.463 289 HG12 VAL 42 2HG1 VAL 42 12.484 14.341 -3.476 290 HG13 VAL 42 3HG1 VAL 42 11.174 14.247 -4.654 291 HG21 VAL 42 1HG2 VAL 42 13.307 11.575 -3.473 292 HG22 VAL 42 2HG2 VAL 42 14.229 11.329 -4.956 293 HG23 VAL 42 3HG2 VAL 42 14.602 12.693 -3.901 294 H SER 43 H SER 43 12.936 9.726 -5.861 295 HA SER 43 HA SER 43 14.782 10.049 -8.105 296 HB2 SER 43 1HB SER 43 14.551 7.807 -6.082 297 HB3 SER 43 2HB SER 43 15.819 7.973 -7.297 298 HG SER 43 HG SER 43 16.042 8.842 -4.956 299 H GLY 44 H GLY 44 15.068 8.087 -9.537 300 HA2 GLY 44 1HA GLY 44 13.754 6.006 -10.219 301 HA3 GLY 44 2HA GLY 44 12.394 7.115 -10.315 302 H ASN 45 H ASN 45 14.009 5.422 -12.306 303 HA ASN 45 HA ASN 45 14.927 7.492 -14.143 304 HB2 ASN 45 1HB ASN 45 15.030 4.473 -14.264 305 HB3 ASN 45 2HB ASN 45 15.596 5.520 -15.563 306 HD21 ASN 45 1HD2 ASN 45 17.121 7.304 -14.727 307 HD22 ASN 45 2HD2 ASN 45 18.369 6.765 -13.661 308 H GLY 46 H GLY 46 13.212 8.501 -15.056 309 HA2 GLY 46 1HA GLY 46 11.795 8.475 -17.003 310 HA3 GLY 46 2HA GLY 46 11.396 6.803 -16.637 311 H GLU 47 H GLU 47 9.509 8.858 -17.159 312 HA GLU 47 HA GLU 47 8.413 9.842 -14.716 313 HB2 GLU 47 1HB GLU 47 7.158 9.571 -17.453 314 HB3 GLU 47 2HB GLU 47 6.466 10.466 -16.108 315 HG2 GLU 47 1HG GLU 47 8.623 11.823 -16.123 316 HG3 GLU 47 2HG GLU 47 8.925 11.094 -17.699 317 H ILE 48 H ILE 48 6.871 9.006 -13.415 318 HA ILE 48 HA ILE 48 6.389 6.230 -13.433 319 HB ILE 48 HB ILE 48 4.869 8.378 -11.949 320 HG12 ILE 48 1HG1 ILE 48 7.267 8.437 -11.455 321 HG13 ILE 48 2HG1 ILE 48 6.365 7.830 -10.070 322 HG21 ILE 48 1HG2 ILE 48 4.322 5.645 -12.216 323 HG22 ILE 48 2HG2 ILE 48 5.040 5.839 -10.617 324 HG23 ILE 48 3HG2 ILE 48 3.613 6.775 -11.062 325 HD11 ILE 48 1HD1 ILE 48 8.010 6.293 -10.077 326 HD12 ILE 48 2HD1 ILE 48 6.956 5.510 -11.256 327 HD13 ILE 48 3HD1 ILE 48 8.326 6.477 -11.802 328 H GLN 49 H GLN 49 4.688 5.012 -14.108 329 HA GLN 49 HA GLN 49 2.900 6.233 -16.036 330 HB2 GLN 49 1HB GLN 49 3.399 3.372 -15.219 331 HB3 GLN 49 2HB GLN 49 2.159 3.833 -16.378 332 HG2 GLN 49 1HG GLN 49 5.015 4.643 -16.759 333 HG3 GLN 49 2HG GLN 49 4.435 3.055 -17.259 334 HE21 GLN 49 1HE2 GLN 49 4.997 3.682 -19.409 335 HE22 GLN 49 2HE2 GLN 49 3.932 4.682 -20.331 336 H ASN 50 H ASN 50 2.447 4.014 -13.275 337 HA ASN 50 HA ASN 50 0.131 5.540 -12.416 338 HB2 ASN 50 1HB ASN 50 -0.795 3.947 -14.062 339 HB3 ASN 50 2HB ASN 50 -0.111 2.611 -13.140 340 HD21 ASN 50 1HD2 ASN 50 -1.437 1.648 -11.795 341 HD22 ASN 50 2HD2 ASN 50 -2.846 2.344 -11.077 342 H TYR 51 H TYR 51 -0.706 4.782 -10.318 343 HA TYR 51 HA TYR 51 1.476 3.653 -8.705 344 HB2 TYR 51 1HB TYR 51 -0.794 5.518 -8.045 345 HB3 TYR 51 2HB TYR 51 0.103 4.678 -6.785 346 HD1 TYR 51 1HD TYR 51 2.780 4.874 -7.140 347 HD2 TYR 51 2HD TYR 51 -0.121 7.667 -8.513 348 HE1 TYR 51 1HE TYR 51 4.502 6.630 -7.189 349 HE2 TYR 51 2HE TYR 51 1.593 9.430 -8.568 350 HH TYR 51 HH TYR 51 4.595 9.072 -8.738 351 H LYS 52 H LYS 52 1.264 1.672 -7.925 352 HA LYS 52 HA LYS 52 -1.364 0.388 -7.994 353 HB2 LYS 52 1HB LYS 52 0.745 -0.634 -9.036 354 HB3 LYS 52 2HB LYS 52 1.261 -0.960 -7.387 355 HG2 LYS 52 1HG LYS 52 0.257 -2.938 -7.851 356 HG3 LYS 52 2HG LYS 52 -1.145 -2.056 -7.242 357 HD2 LYS 52 1HD LYS 52 -0.402 -2.195 -10.160 358 HD3 LYS 52 2HD LYS 52 -1.520 -3.319 -9.383 359 HE2 LYS 52 1HE LYS 52 -2.778 -1.213 -8.617 360 HE3 LYS 52 2HE LYS 52 -1.825 -0.368 -9.837 361 HZ1 LYS 52 1HZ LYS 52 -3.318 -2.797 -10.569 362 HZ2 LYS 52 2HZ LYS 52 -2.848 -1.496 -11.543 363 HZ3 LYS 52 3HZ LYS 52 -4.130 -1.317 -10.454 364 H LEU 53 H LEU 53 -2.522 0.543 -6.191 365 HA LEU 53 HA LEU 53 -1.140 0.581 -3.602 366 HB2 LEU 53 1HB LEU 53 -2.562 2.444 -3.819 367 HB3 LEU 53 2HB LEU 53 -3.869 1.468 -4.487 368 HG LEU 53 HG LEU 53 -4.150 0.409 -2.261 369 HD11 LEU 53 1HD1 LEU 53 -2.907 0.934 -0.434 370 HD12 LEU 53 2HD1 LEU 53 -2.561 2.569 -0.998 371 HD13 LEU 53 3HD1 LEU 53 -1.683 1.198 -1.676 372 HD21 LEU 53 1HD2 LEU 53 -5.383 2.189 -1.325 373 HD22 LEU 53 2HD2 LEU 53 -5.419 2.446 -3.070 374 HD23 LEU 53 3HD2 LEU 53 -4.335 3.404 -2.058 375 H TYR 54 H TYR 54 -1.115 -1.199 -2.413 376 HA TYR 54 HA TYR 54 -3.018 -3.343 -3.033 377 HB2 TYR 54 1HB TYR 54 -0.379 -3.379 -1.560 378 HB3 TYR 54 2HB TYR 54 -1.430 -4.780 -1.729 379 HD1 TYR 54 2HD TYR 54 0.102 -2.164 -3.924 380 HD2 TYR 54 1HD TYR 54 -0.892 -6.268 -3.401 381 HE1 TYR 54 2HE TYR 54 1.161 -2.690 -6.081 382 HE2 TYR 54 1HE TYR 54 0.165 -6.805 -5.555 383 HH TYR 54 HH TYR 54 1.453 -6.025 -7.220 384 H TYR 55 H TYR 55 -4.000 -4.541 -1.298 385 HA TYR 55 HA TYR 55 -3.958 -3.483 1.376 386 HB2 TYR 55 1HB TYR 55 -6.244 -2.756 1.498 387 HB3 TYR 55 2HB TYR 55 -5.483 -1.910 0.155 388 HD1 TYR 55 1HD TYR 55 -5.865 -2.855 -2.201 389 HD2 TYR 55 2HD TYR 55 -8.215 -3.966 1.168 390 HE1 TYR 55 1HE TYR 55 -7.643 -3.640 -3.708 391 HE2 TYR 55 2HE TYR 55 -9.999 -4.755 -0.330 392 HH TYR 55 HH TYR 55 -9.621 -5.455 -3.433 393 H MET 56 H MET 56 -4.537 -5.002 2.832 394 HA MET 56 HA MET 56 -6.277 -7.191 2.130 395 HB2 MET 56 1HB MET 56 -4.785 -8.925 2.072 396 HB3 MET 56 2HB MET 56 -3.775 -7.658 1.388 397 HG2 MET 56 1HG MET 56 -3.103 -7.278 3.892 398 HG3 MET 56 2HG MET 56 -3.658 -8.941 4.067 399 HE1 MET 56 1HE MET 56 -1.033 -10.867 3.722 400 HE2 MET 56 2HE MET 56 -0.212 -9.496 4.468 401 HE3 MET 56 3HE MET 56 -1.895 -9.840 4.868 402 H GLU 57 H GLU 57 -6.689 -8.627 3.984 403 HA GLU 57 HA GLU 57 -6.674 -7.085 6.450 404 HB2 GLU 57 1HB GLU 57 -8.715 -8.301 5.502 405 HB3 GLU 57 2HB GLU 57 -7.940 -9.786 6.035 406 HG2 GLU 57 1HG GLU 57 -7.939 -8.978 8.330 407 HG3 GLU 57 2HG GLU 57 -8.685 -7.470 7.806 408 H LYS 58 H LYS 58 -5.516 -7.554 8.228 409 HA LYS 58 HA LYS 58 -3.228 -9.134 8.099 410 HB2 LYS 58 1HB LYS 58 -4.028 -7.261 9.797 411 HB3 LYS 58 2HB LYS 58 -4.517 -8.657 10.748 412 HG2 LYS 58 1HG LYS 58 -2.415 -8.379 11.555 413 HG3 LYS 58 2HG LYS 58 -2.053 -9.443 10.193 414 HD2 LYS 58 1HD LYS 58 -1.120 -7.754 8.947 415 HD3 LYS 58 2HD LYS 58 -2.069 -6.497 9.744 416 HE2 LYS 58 1HE LYS 58 0.203 -6.254 10.440 417 HE3 LYS 58 2HE LYS 58 -0.715 -6.889 11.805 418 HZ1 LYS 58 1HZ LYS 58 0.316 -9.014 10.252 419 HZ2 LYS 58 2HZ LYS 58 0.601 -8.651 11.879 420 HZ3 LYS 58 3HZ LYS 58 1.571 -7.962 10.676 421 H GLY 59 H GLY 59 -3.587 -11.228 7.439 422 HA2 GLY 59 1HA GLY 59 -3.603 -13.429 8.569 423 HA3 GLY 59 2HA GLY 59 -5.095 -12.914 9.342 424 H THR 60 H THR 60 -4.155 -12.498 5.958 425 HA THR 60 HA THR 60 -6.333 -14.333 5.203 426 HB THR 60 HB THR 60 -5.657 -11.967 3.493 427 HG1 THR 60 1HG THR 60 -6.331 -10.730 5.078 428 HG21 THR 60 1HG2 THR 60 -8.188 -12.237 3.074 429 HG22 THR 60 2HG2 THR 60 -8.004 -13.801 3.868 430 HG23 THR 60 3HG2 THR 60 -7.097 -13.446 2.398 431 H ASP 61 H ASP 61 -3.131 -13.143 4.622 432 HA ASP 61 HA ASP 61 -1.411 -13.888 3.333 433 HB2 ASP 61 1HB ASP 61 -3.141 -16.350 3.448 434 HB3 ASP 61 2HB ASP 61 -1.626 -16.334 2.550 435 H LYS 62 H LYS 62 -3.787 -12.564 2.122 436 HA LYS 62 HA LYS 62 -3.092 -13.122 -0.649 437 HB2 LYS 62 1HB LYS 62 -4.988 -14.567 -0.383 438 HB3 LYS 62 2HB LYS 62 -5.905 -13.308 0.434 439 HG2 LYS 62 1HG LYS 62 -6.833 -13.220 -1.648 440 HG3 LYS 62 2HG LYS 62 -5.551 -12.019 -1.821 441 HD2 LYS 62 1HD LYS 62 -4.115 -13.682 -2.873 442 HD3 LYS 62 2HD LYS 62 -5.361 -14.914 -2.656 443 HE2 LYS 62 1HE LYS 62 -5.389 -14.077 -4.933 444 HE3 LYS 62 2HE LYS 62 -6.871 -13.620 -4.095 445 HZ1 LYS 62 1HZ LYS 62 -4.523 -11.845 -4.488 446 HZ2 LYS 62 2HZ LYS 62 -5.989 -11.416 -3.761 447 HZ3 LYS 62 3HZ LYS 62 -5.942 -11.796 -5.409 448 H GLU 63 H GLU 63 -2.329 -11.160 -1.162 449 HA GLU 63 HA GLU 63 -3.757 -8.773 -0.267 450 HB2 GLU 63 1HB GLU 63 -1.237 -9.014 -0.074 451 HB3 GLU 63 2HB GLU 63 -1.177 -8.881 -1.826 452 HG2 GLU 63 1HG GLU 63 -2.071 -6.670 -1.761 453 HG3 GLU 63 2HG GLU 63 -2.400 -6.800 -0.034 454 H GLN 64 H GLN 64 -4.414 -7.131 -1.721 455 HA GLN 64 HA GLN 64 -4.935 -8.119 -4.446 456 HB2 GLN 64 1HB GLN 64 -6.545 -6.248 -2.707 457 HB3 GLN 64 2HB GLN 64 -6.879 -6.521 -4.412 458 HG2 GLN 64 1HG GLN 64 -7.309 -8.866 -3.981 459 HG3 GLN 64 2HG GLN 64 -6.902 -8.645 -2.280 460 HE21 GLN 64 1HE2 GLN 64 -8.284 -7.311 -0.994 461 HE22 GLN 64 2HE2 GLN 64 -9.949 -7.126 -1.413 462 H ASP 65 H ASP 65 -5.475 -6.125 -5.941 463 HA ASP 65 HA ASP 65 -3.629 -3.913 -5.437 464 HB2 ASP 65 1HB ASP 65 -2.405 -4.170 -7.421 465 HB3 ASP 65 2HB ASP 65 -2.526 -5.811 -6.792 466 H VAL 66 H VAL 66 -4.404 -2.000 -6.098 467 HA VAL 66 HA VAL 66 -6.660 -1.989 -7.991 468 HB VAL 66 HB VAL 66 -7.699 -0.161 -6.706 469 HG11 VAL 66 1HG1 VAL 66 -8.763 -2.108 -6.174 470 HG12 VAL 66 2HG1 VAL 66 -7.297 -2.871 -5.555 471 HG13 VAL 66 3HG1 VAL 66 -8.145 -1.670 -4.581 472 HG21 VAL 66 1HG2 VAL 66 -6.938 0.477 -4.543 473 HG22 VAL 66 2HG2 VAL 66 -5.715 -0.793 -4.528 474 HG23 VAL 66 3HG2 VAL 66 -5.551 0.576 -5.628 475 H ASP 67 H ASP 67 -6.638 -0.417 -9.518 476 HA ASP 67 HA ASP 67 -4.200 1.100 -9.820 477 HB2 ASP 67 1HB ASP 67 -4.902 1.538 -12.020 478 HB3 ASP 67 2HB ASP 67 -5.512 -0.082 -11.690 479 H VAL 68 H VAL 68 -3.919 3.019 -8.917 480 HA VAL 68 HA VAL 68 -6.264 4.775 -8.581 481 HB VAL 68 HB VAL 68 -3.802 4.654 -6.834 482 HG11 VAL 68 1HG1 VAL 68 -6.305 6.200 -6.258 483 HG12 VAL 68 2HG1 VAL 68 -4.700 6.380 -5.548 484 HG13 VAL 68 3HG1 VAL 68 -4.995 6.901 -7.207 485 HG21 VAL 68 1HG2 VAL 68 -5.099 3.605 -5.188 486 HG22 VAL 68 2HG2 VAL 68 -6.611 3.972 -6.019 487 HG23 VAL 68 3HG2 VAL 68 -5.513 2.760 -6.679 488 H SER 69 H SER 69 -6.200 6.642 -9.640 489 HA SER 69 HA SER 69 -3.829 7.382 -11.110 490 HB2 SER 69 1HB SER 69 -5.200 8.974 -12.228 491 HB3 SER 69 2HB SER 69 -6.214 7.552 -11.987 492 HG SER 69 HG SER 69 -7.241 8.582 -10.310 493 H SER 70 H SER 70 -5.673 8.605 -8.371 494 HA SER 70 HA SER 70 -4.009 10.958 -8.110 495 HB2 SER 70 1HB SER 70 -5.376 11.282 -5.990 496 HB3 SER 70 2HB SER 70 -6.292 11.266 -7.497 497 HG SER 70 HG SER 70 -7.358 9.936 -6.094 498 H HIS 71 H HIS 71 -3.073 11.438 -5.890 499 HA HIS 71 HA HIS 71 -1.215 9.353 -5.240 500 HB2 HIS 71 1HB HIS 71 -1.666 12.131 -4.157 501 HB3 HIS 71 2HB HIS 71 -0.448 11.047 -3.492 502 HD1 HIS 71 1HD HIS 71 -0.799 13.658 -5.884 503 HD2 HIS 71 2HD HIS 71 1.391 10.132 -5.711 504 HE1 HIS 71 1HE HIS 71 1.048 13.931 -7.568 505 HE2 HIS 71 2HE HIS 71 2.309 11.752 -7.506 506 H SER 72 H SER 72 -4.212 10.504 -3.951 507 HA SER 72 HA SER 72 -3.927 8.635 -1.689 508 HB2 SER 72 1HB SER 72 -5.463 10.117 -0.416 509 HB3 SER 72 2HB SER 72 -3.953 10.919 -0.847 510 HG SER 72 HG SER 72 -6.021 11.171 -2.671 511 H TYR 73 H TYR 73 -5.506 7.160 -1.402 512 HA TYR 73 HA TYR 73 -7.921 7.389 -3.070 513 HB2 TYR 73 1HB TYR 73 -6.341 5.758 -4.049 514 HB3 TYR 73 2HB TYR 73 -6.358 4.853 -2.539 515 HD1 TYR 73 2HD TYR 73 -8.638 6.090 -5.218 516 HD2 TYR 73 1HD TYR 73 -7.896 3.135 -2.248 517 HE1 TYR 73 2HE TYR 73 -10.581 4.810 -6.015 518 HE2 TYR 73 1HE TYR 73 -9.837 1.846 -3.038 519 HH TYR 73 HH TYR 73 -11.848 3.014 -5.725 520 H THR 74 H THR 74 -9.789 6.265 -2.270 521 HA THR 74 HA THR 74 -9.703 5.823 0.645 522 HB THR 74 HB THR 74 -12.060 6.849 -0.947 523 HG1 THR 74 1HG THR 74 -9.936 8.176 -0.268 524 HG21 THR 74 1HG2 THR 74 -11.727 6.938 2.034 525 HG22 THR 74 2HG2 THR 74 -12.397 5.515 1.236 526 HG23 THR 74 3HG2 THR 74 -13.202 7.077 1.078 527 H ILE 75 H ILE 75 -9.737 3.679 0.935 528 HA ILE 75 HA ILE 75 -11.300 1.971 -0.825 529 HB ILE 75 HB ILE 75 -9.540 1.251 1.522 530 HG12 ILE 75 1HG1 ILE 75 -8.992 0.901 -1.428 531 HG13 ILE 75 2HG1 ILE 75 -8.419 2.281 -0.498 532 HG21 ILE 75 1HG2 ILE 75 -10.996 -0.438 -0.496 533 HG22 ILE 75 2HG2 ILE 75 -9.650 -1.041 0.470 534 HG23 ILE 75 3HG2 ILE 75 -11.125 -0.486 1.262 535 HD11 ILE 75 1HD1 ILE 75 -7.125 0.807 0.926 536 HD12 ILE 75 2HD1 ILE 75 -7.731 -0.596 0.045 537 HD13 ILE 75 3HD1 ILE 75 -6.697 0.577 -0.769 538 H ASN 76 H ASN 76 -13.332 1.443 -0.409 539 HA ASN 76 HA ASN 76 -14.279 1.579 2.378 540 HB2 ASN 76 1HB ASN 76 -15.792 2.031 -0.202 541 HB3 ASN 76 2HB ASN 76 -16.545 1.960 1.388 542 HD21 ASN 76 1HD2 ASN 76 -14.063 3.665 -0.458 543 HD22 ASN 76 2HD2 ASN 76 -14.272 5.188 0.332 544 H GLY 77 H GLY 77 -16.262 0.142 2.744 545 HA2 GLY 77 1HA GLY 77 -17.344 -1.909 2.566 546 HA3 GLY 77 2HA GLY 77 -16.372 -2.268 1.147 547 H LEU 78 H LEU 78 -15.430 -1.457 4.478 548 HA LEU 78 HA LEU 78 -14.006 -4.034 4.588 549 HB2 LEU 78 1HB LEU 78 -13.231 -1.474 5.974 550 HB3 LEU 78 2HB LEU 78 -12.328 -2.987 5.970 551 HG LEU 78 HG LEU 78 -12.823 -1.282 3.531 552 HD11 LEU 78 1HD1 LEU 78 -11.158 -0.685 5.642 553 HD12 LEU 78 2HD1 LEU 78 -11.010 -0.075 3.994 554 HD13 LEU 78 3HD1 LEU 78 -10.091 -1.494 4.494 555 HD21 LEU 78 1HD2 LEU 78 -11.001 -2.692 2.589 556 HD22 LEU 78 2HD2 LEU 78 -12.486 -3.578 2.936 557 HD23 LEU 78 3HD2 LEU 78 -11.105 -3.708 4.027 558 H LYS 79 H LYS 79 -13.645 -4.851 6.820 559 HA LYS 79 HA LYS 79 -16.122 -4.880 8.252 560 HB2 LYS 79 1HB LYS 79 -13.448 -6.193 8.636 561 HB3 LYS 79 2HB LYS 79 -14.675 -6.284 9.892 562 HG2 LYS 79 1HG LYS 79 -15.458 -7.019 7.125 563 HG3 LYS 79 2HG LYS 79 -14.441 -8.139 8.034 564 HD2 LYS 79 1HD LYS 79 -16.906 -6.995 9.286 565 HD3 LYS 79 2HD LYS 79 -17.031 -8.354 8.166 566 HE2 LYS 79 1HE LYS 79 -15.508 -9.653 9.550 567 HE3 LYS 79 2HE LYS 79 -15.319 -8.288 10.650 568 HZ1 LYS 79 1HZ LYS 79 -17.819 -9.806 10.139 569 HZ2 LYS 79 2HZ LYS 79 -17.713 -8.431 11.118 570 HZ3 LYS 79 3HZ LYS 79 -16.889 -9.843 11.552 571 H LYS 80 H LYS 80 -16.187 -4.574 10.652 572 HA LYS 80 HA LYS 80 -14.929 -2.020 11.309 573 HB2 LYS 80 1HB LYS 80 -17.302 -3.524 12.352 574 HB3 LYS 80 2HB LYS 80 -16.551 -2.282 13.346 575 HG2 LYS 80 1HG LYS 80 -17.244 -0.585 12.000 576 HG3 LYS 80 2HG LYS 80 -17.231 -1.584 10.545 577 HD2 LYS 80 1HD LYS 80 -19.213 -2.096 12.733 578 HD3 LYS 80 2HD LYS 80 -19.503 -0.833 11.534 579 HE2 LYS 80 1HE LYS 80 -18.709 -3.530 10.568 580 HE3 LYS 80 2HE LYS 80 -20.347 -3.321 11.187 581 HZ1 LYS 80 1HZ LYS 80 -19.286 -1.414 9.215 582 HZ2 LYS 80 2HZ LYS 80 -20.889 -1.864 9.514 583 HZ3 LYS 80 3HZ LYS 80 -19.853 -2.920 8.692 584 H TYR 81 H TYR 81 -13.474 -1.747 12.914 585 HA TYR 81 HA TYR 81 -11.929 -2.242 14.507 586 HB2 TYR 81 1HB TYR 81 -14.141 -2.975 15.663 587 HB3 TYR 81 2HB TYR 81 -13.567 -4.611 15.359 588 HD1 TYR 81 2HD TYR 81 -12.026 -1.429 16.593 589 HD2 TYR 81 1HD TYR 81 -12.623 -5.596 17.208 590 HE1 TYR 81 2HE TYR 81 -10.651 -1.319 18.630 591 HE2 TYR 81 1HE TYR 81 -11.250 -5.498 19.247 592 HH TYR 81 HH TYR 81 -10.648 -3.077 20.943 593 H THR 82 H THR 82 -11.360 -3.183 12.011 594 HA THR 82 HA THR 82 -9.936 -5.683 12.621 595 HB THR 82 HB THR 82 -11.321 -5.068 10.003 596 HG1 THR 82 1HG THR 82 -12.426 -5.970 12.094 597 HG21 THR 82 1HG2 THR 82 -10.010 -6.593 9.046 598 HG22 THR 82 2HG2 THR 82 -10.443 -7.777 10.279 599 HG23 THR 82 3HG2 THR 82 -9.076 -6.695 10.538 600 H GLU 83 H GLU 83 -7.876 -5.851 11.812 601 HA GLU 83 HA GLU 83 -6.653 -3.372 10.955 602 HB2 GLU 83 1HB GLU 83 -5.704 -5.095 12.643 603 HB3 GLU 83 2HB GLU 83 -5.216 -5.997 11.215 604 HG2 GLU 83 1HG GLU 83 -3.808 -4.227 10.480 605 HG3 GLU 83 2HG GLU 83 -4.441 -3.136 11.711 606 H TYR 84 H TYR 84 -5.311 -3.177 9.082 607 HA TYR 84 HA TYR 84 -5.544 -5.192 7.008 608 HB2 TYR 84 1HB TYR 84 -6.721 -2.425 6.699 609 HB3 TYR 84 2HB TYR 84 -6.420 -3.521 5.355 610 HD1 TYR 84 2HD TYR 84 -7.751 -5.575 5.108 611 HD2 TYR 84 1HD TYR 84 -8.574 -2.763 8.193 612 HE1 TYR 84 2HE TYR 84 -9.955 -6.609 5.454 613 HE2 TYR 84 1HE TYR 84 -10.781 -3.790 8.548 614 HH TYR 84 HH TYR 84 -11.621 -6.758 7.469 615 H SER 85 H SER 85 -3.723 -5.289 5.862 616 HA SER 85 HA SER 85 -1.651 -3.331 6.347 617 HB2 SER 85 1HB SER 85 -1.476 -5.967 6.091 618 HB3 SER 85 2HB SER 85 -1.295 -5.557 4.386 619 HG SER 85 HG SER 85 0.735 -5.534 5.222 620 H PHE 86 H PHE 86 -0.759 -1.938 4.882 621 HA PHE 86 HA PHE 86 -1.910 -1.865 2.183 622 HB2 PHE 86 1HB PHE 86 -1.675 0.476 4.081 623 HB3 PHE 86 2HB PHE 86 -2.020 0.635 2.362 624 HD1 PHE 86 2HD PHE 86 -4.103 -0.534 1.464 625 HD2 PHE 86 1HD PHE 86 -3.390 0.130 5.607 626 HE1 PHE 86 2HE PHE 86 -6.504 -0.822 1.920 627 HE2 PHE 86 1HE PHE 86 -5.790 -0.158 6.070 628 HZ PHE 86 HZ PHE 86 -7.350 -0.633 4.225 629 H ARG 87 H ARG 87 -0.506 -1.338 0.582 630 HA ARG 87 HA ARG 87 2.080 -0.174 1.237 631 HB2 ARG 87 1HB ARG 87 3.369 -1.937 0.220 632 HB3 ARG 87 2HB ARG 87 2.362 -2.634 1.481 633 HG2 ARG 87 1HG ARG 87 0.939 -3.661 -0.052 634 HG3 ARG 87 2HG ARG 87 1.478 -2.630 -1.379 635 HD2 ARG 87 1HD ARG 87 3.807 -3.768 -0.810 636 HD3 ARG 87 2HD ARG 87 2.751 -5.039 -0.195 637 HE ARG 87 HE ARG 87 1.797 -4.436 -2.702 638 HH11 ARG 87 2HH1 ARG 87 4.811 -5.540 -1.353 639 HH12 ARG 87 1HH1 ARG 87 5.270 -6.427 -2.769 640 HH21 ARG 87 2HH2 ARG 87 2.390 -5.600 -4.572 641 HH22 ARG 87 1HH2 ARG 87 3.893 -6.460 -4.599 642 H VAL 88 H VAL 88 2.954 0.994 -0.413 643 HA VAL 88 HA VAL 88 1.364 1.131 -2.885 644 HB VAL 88 HB VAL 88 3.194 3.204 -1.667 645 HG11 VAL 88 1HG1 VAL 88 1.522 3.261 -4.175 646 HG12 VAL 88 2HG1 VAL 88 2.251 4.687 -3.434 647 HG13 VAL 88 3HG1 VAL 88 3.277 3.393 -4.055 648 HG21 VAL 88 1HG2 VAL 88 1.330 3.360 -0.351 649 HG22 VAL 88 2HG2 VAL 88 0.847 4.414 -1.680 650 HG23 VAL 88 3HG2 VAL 88 0.253 2.755 -1.610 651 H VAL 89 H VAL 89 2.349 1.087 -4.888 652 HA VAL 89 HA VAL 89 5.241 0.567 -4.952 653 HB VAL 89 HB VAL 89 3.154 -1.049 -6.423 654 HG11 VAL 89 1HG1 VAL 89 5.874 -2.048 -6.491 655 HG12 VAL 89 2HG1 VAL 89 4.734 -1.785 -7.812 656 HG13 VAL 89 3HG1 VAL 89 5.737 -0.454 -7.233 657 HG21 VAL 89 1HG2 VAL 89 5.041 -2.493 -4.762 658 HG22 VAL 89 2HG2 VAL 89 4.084 -1.341 -3.830 659 HG23 VAL 89 3HG2 VAL 89 3.279 -2.574 -4.801 660 H ALA 90 H ALA 90 6.305 1.610 -6.526 661 HA ALA 90 HA ALA 90 4.790 3.358 -8.280 662 HB1 ALA 90 1HB ALA 90 6.809 4.500 -8.683 663 HB2 ALA 90 2HB ALA 90 6.850 4.060 -6.975 664 HB3 ALA 90 3HB ALA 90 7.784 3.131 -8.148 665 H TYR 91 H TYR 91 4.384 2.980 -10.360 666 HA TYR 91 HA TYR 91 5.880 0.822 -11.700 667 HB2 TYR 91 1HB TYR 91 2.965 1.507 -11.712 668 HB3 TYR 91 2HB TYR 91 3.677 0.741 -13.128 669 HD1 TYR 91 2HD TYR 91 2.941 0.318 -9.539 670 HD2 TYR 91 1HD TYR 91 4.285 -1.570 -13.108 671 HE1 TYR 91 2HE TYR 91 2.709 -1.878 -8.458 672 HE2 TYR 91 1HE TYR 91 4.056 -3.772 -12.036 673 HH TYR 91 HH TYR 91 3.016 -4.847 -10.241 674 H ASN 92 H ASN 92 7.245 1.687 -13.114 675 HA ASN 92 HA ASN 92 6.359 4.020 -14.678 676 HB2 ASN 92 1HB ASN 92 8.679 4.653 -14.913 677 HB3 ASN 92 2HB ASN 92 8.337 4.396 -13.205 678 HD21 ASN 92 1HD2 ASN 92 10.816 4.343 -13.479 679 HD22 ASN 92 2HD2 ASN 92 11.503 2.765 -13.636 680 H LYS 93 H LYS 93 7.791 4.115 -16.810 681 HA LYS 93 HA LYS 93 6.842 2.241 -18.571 682 HB2 LYS 93 1HB LYS 93 8.427 3.065 -20.168 683 HB3 LYS 93 2HB LYS 93 7.927 4.418 -19.161 684 HG2 LYS 93 1HG LYS 93 10.161 4.789 -19.171 685 HG3 LYS 93 2HG LYS 93 10.075 3.700 -17.784 686 HD2 LYS 93 1HD LYS 93 11.852 2.907 -19.127 687 HD3 LYS 93 2HD LYS 93 10.500 1.809 -19.416 688 HE2 LYS 93 1HE LYS 93 9.985 3.450 -21.389 689 HE3 LYS 93 2HE LYS 93 11.684 3.885 -21.206 690 HZ1 LYS 93 1HZ LYS 93 10.497 1.436 -22.212 691 HZ2 LYS 93 2HZ LYS 93 11.848 1.230 -21.215 692 HZ3 LYS 93 3HZ LYS 93 11.966 2.173 -22.614 693 H HIS 94 H HIS 94 9.821 2.133 -16.693 694 HA HIS 94 HA HIS 94 10.950 -0.133 -17.939 695 HB2 HIS 94 1HB HIS 94 11.319 0.987 -15.155 696 HB3 HIS 94 2HB HIS 94 12.293 -0.317 -15.827 697 HD1 HIS 94 1HD HIS 94 13.096 0.638 -18.509 698 HD2 HIS 94 2HD HIS 94 12.830 3.215 -15.261 699 HE1 HIS 94 1HE HIS 94 14.563 2.598 -19.084 700 HE2 HIS 94 2HE HIS 94 14.453 4.104 -17.068 701 H GLY 95 H GLY 95 9.599 -0.025 -14.638 702 HA2 GLY 95 1HA GLY 95 7.715 -2.058 -14.943 703 HA3 GLY 95 2HA GLY 95 9.232 -2.826 -14.497 704 HA PRO 96 HA PRO 96 6.944 -1.607 -10.631 705 HB2 PRO 96 1HB PRO 96 7.152 -4.039 -9.442 706 HB3 PRO 96 2HB PRO 96 5.828 -3.613 -10.532 707 HG2 PRO 96 1HG PRO 96 8.318 -5.176 -11.097 708 HG3 PRO 96 2HG PRO 96 6.652 -5.499 -11.614 709 HD2 PRO 96 1HD PRO 96 8.489 -4.360 -13.245 710 HD3 PRO 96 2HD PRO 96 6.759 -3.974 -13.339 711 H GLY 97 H GLY 97 8.208 -0.508 -9.273 712 HA2 GLY 97 1HA GLY 97 10.974 -1.296 -8.872 713 HA3 GLY 97 2HA GLY 97 10.207 0.170 -8.277 714 H VAL 98 H VAL 98 11.223 -0.183 -6.242 715 HA VAL 98 HA VAL 98 10.977 -2.490 -4.687 716 HB VAL 98 HB VAL 98 11.553 -1.136 -2.776 717 HG11 VAL 98 1HG1 VAL 98 12.932 -0.751 -5.354 718 HG12 VAL 98 2HG1 VAL 98 13.396 0.349 -4.054 719 HG13 VAL 98 3HG1 VAL 98 13.535 -1.395 -3.827 720 HG21 VAL 98 1HG2 VAL 98 11.252 1.362 -4.407 721 HG22 VAL 98 2HG2 VAL 98 9.902 0.711 -3.477 722 HG23 VAL 98 3HG2 VAL 98 11.389 1.188 -2.658 723 H SER 99 H SER 99 9.789 -2.421 -2.480 724 HA SER 99 HA SER 99 7.024 -1.500 -2.911 725 HB2 SER 99 1HB SER 99 7.070 -3.903 -3.221 726 HB3 SER 99 2HB SER 99 7.948 -4.119 -1.707 727 HG SER 99 HG SER 99 5.808 -2.760 -1.088 728 H THR 100 H THR 100 6.447 -0.052 -1.448 729 HA THR 100 HA THR 100 7.911 0.748 0.748 730 HB THR 100 HB THR 100 5.545 1.539 1.614 731 HG1 THR 100 1HG THR 100 4.820 1.415 -1.070 732 HG21 THR 100 1HG2 THR 100 6.964 3.213 0.873 733 HG22 THR 100 2HG2 THR 100 5.636 3.329 -0.282 734 HG23 THR 100 3HG2 THR 100 7.129 2.505 -0.733 735 HA PRO 101 HA PRO 101 7.246 -2.115 4.007 736 HB2 PRO 101 1HB PRO 101 7.047 -0.482 6.167 737 HB3 PRO 101 2HB PRO 101 8.571 -0.773 5.320 738 HG2 PRO 101 1HG PRO 101 6.685 1.540 5.087 739 HG3 PRO 101 2HG PRO 101 8.457 1.545 5.166 740 HD2 PRO 101 1HD PRO 101 7.102 1.811 2.837 741 HD3 PRO 101 2HD PRO 101 8.683 1.009 2.936 742 H ASP 102 H ASP 102 5.526 -3.251 4.639 743 HA ASP 102 HA ASP 102 2.918 -2.685 4.177 744 HB2 ASP 102 1HB ASP 102 2.360 -4.312 6.003 745 HB3 ASP 102 2HB ASP 102 3.568 -4.894 4.861 746 H VAL 103 H VAL 103 1.274 -1.579 5.106 747 HA VAL 103 HA VAL 103 1.871 -0.113 7.594 748 HB VAL 103 HB VAL 103 0.350 0.884 5.183 749 HG11 VAL 103 1HG1 VAL 103 -0.843 2.014 6.718 750 HG12 VAL 103 2HG1 VAL 103 0.343 1.737 7.995 751 HG13 VAL 103 3HG1 VAL 103 0.595 3.030 6.821 752 HG21 VAL 103 1HG2 VAL 103 2.494 2.545 6.188 753 HG22 VAL 103 2HG2 VAL 103 3.070 0.937 5.750 754 HG23 VAL 103 3HG2 VAL 103 2.220 1.924 4.561 755 H ALA 104 H ALA 104 0.815 -1.888 8.694 756 HA ALA 104 HA ALA 104 -1.926 -2.511 8.193 757 HB1 ALA 104 1HB ALA 104 0.148 -3.607 9.717 758 HB2 ALA 104 2HB ALA 104 -1.110 -3.163 10.871 759 HB3 ALA 104 3HB ALA 104 -1.489 -4.234 9.523 760 H VAL 105 H VAL 105 -3.723 -1.579 8.956 761 HA VAL 105 HA VAL 105 -3.528 0.260 11.233 762 HB VAL 105 HB VAL 105 -3.414 1.596 9.137 763 HG11 VAL 105 1HG1 VAL 105 -5.218 1.708 7.614 764 HG12 VAL 105 2HG1 VAL 105 -4.889 -0.010 7.850 765 HG13 VAL 105 3HG1 VAL 105 -6.260 0.747 8.662 766 HG21 VAL 105 1HG2 VAL 105 -5.873 1.926 10.849 767 HG22 VAL 105 2HG2 VAL 105 -4.281 2.634 11.124 768 HG23 VAL 105 3HG2 VAL 105 -5.253 3.156 9.748 769 H ARG 106 H ARG 106 -5.386 0.444 12.474 770 HA ARG 106 HA ARG 106 -7.374 -1.654 12.002 771 HB2 ARG 106 1HB ARG 106 -6.043 -1.305 14.219 772 HB3 ARG 106 2HB ARG 106 -7.208 -0.020 14.510 773 HG2 ARG 106 1HG ARG 106 -9.032 -1.666 14.262 774 HG3 ARG 106 2HG ARG 106 -7.820 -2.936 14.085 775 HD2 ARG 106 1HD ARG 106 -8.012 -1.114 16.476 776 HD3 ARG 106 2HD ARG 106 -8.772 -2.703 16.389 777 HE ARG 106 HE ARG 106 -6.032 -2.151 16.912 778 HH11 ARG 106 2HH1 ARG 106 -8.163 -4.435 15.376 779 HH12 ARG 106 1HH1 ARG 106 -7.073 -5.770 15.555 780 HH21 ARG 106 2HH2 ARG 106 -4.589 -3.900 17.154 781 HH22 ARG 106 1HH2 ARG 106 -5.040 -5.465 16.567 782 H THR 107 H THR 107 -9.372 -1.193 11.361 783 HA THR 107 HA THR 107 -10.148 1.510 10.834 784 HB THR 107 HB THR 107 -12.308 0.501 10.092 785 HG1 THR 107 1HG THR 107 -11.914 -1.373 11.653 786 HG21 THR 107 1HG2 THR 107 -10.013 -1.054 8.930 787 HG22 THR 107 2HG2 THR 107 -10.182 0.682 8.670 788 HG23 THR 107 3HG2 THR 107 -11.441 -0.420 8.113 789 H LEU 108 H LEU 108 -12.270 2.390 11.542 790 HA LEU 108 HA LEU 108 -12.410 2.450 14.376 791 HB2 LEU 108 1HB LEU 108 -14.484 3.467 12.448 792 HB3 LEU 108 2HB LEU 108 -14.201 4.003 14.102 793 HG LEU 108 HG LEU 108 -12.300 4.421 11.796 794 HD11 LEU 108 1HD1 LEU 108 -13.807 6.607 13.151 795 HD12 LEU 108 2HD1 LEU 108 -14.597 5.664 11.888 796 HD13 LEU 108 3HD1 LEU 108 -13.115 6.551 11.530 797 HD21 LEU 108 1HD2 LEU 108 -11.580 6.202 13.668 798 HD22 LEU 108 2HD2 LEU 108 -10.872 4.592 13.540 799 HD23 LEU 108 3HD2 LEU 108 -12.159 4.899 14.707 800 H SER 109 H SER 109 -13.987 1.680 15.771 801 HA SER 109 HA SER 109 -15.512 -0.600 14.738 802 HB2 SER 109 1HB SER 109 -14.007 -1.090 16.600 803 HB3 SER 109 2HB SER 109 -14.783 0.155 17.579 804 HG SER 109 HG SER 109 -16.173 -2.067 16.502 805 H ASP 110 H ASP 110 -17.666 -0.586 14.636 806 HA ASP 110 HA ASP 110 -19.121 1.804 15.133 807 HB2 ASP 110 1HB ASP 110 -20.945 0.732 14.160 808 HB3 ASP 110 2HB ASP 110 -19.580 -0.094 13.414 809 H SER 111 H SER 111 -19.063 -1.370 16.728 810 HA SER 111 HA SER 111 -20.695 -0.292 18.906 811 HB2 SER 111 1HB SER 111 -21.311 -2.487 17.888 812 HB3 SER 111 2HB SER 111 -19.777 -3.142 18.459 813 HG SER 111 HG SER 111 -20.931 -1.977 20.521 814 H GLY 112 H GLY 112 -19.217 0.988 20.005 815 HA2 GLY 112 1HA GLY 112 -17.387 -0.485 21.715 816 HA3 GLY 112 2HA GLY 112 -16.634 0.684 20.641 817 HA PRO 113 HA PRO 113 -19.416 2.995 23.909 818 HB2 PRO 113 1HB PRO 113 -19.679 1.643 26.248 819 HB3 PRO 113 2HB PRO 113 -20.847 1.514 24.928 820 HG2 PRO 113 1HG PRO 113 -18.613 -0.336 25.668 821 HG3 PRO 113 2HG PRO 113 -20.273 -0.725 25.182 822 HD2 PRO 113 1HD PRO 113 -18.178 -0.887 23.474 823 HD3 PRO 113 2HD PRO 113 -19.814 -0.450 22.940 824 H SER 114 H SER 114 -16.448 1.578 23.928 825 HA SER 114 HA SER 114 -15.106 1.909 26.201 826 HB2 SER 114 1HB SER 114 -14.165 1.534 23.839 827 HB3 SER 114 2HB SER 114 -14.060 3.291 23.733 828 HG SER 114 HG SER 114 -12.963 2.811 25.983 829 H SER 115 H SER 115 -15.343 3.347 27.775 830 HA SER 115 HA SER 115 -15.432 6.204 27.055 831 HB2 SER 115 1HB SER 115 -17.615 5.493 27.892 832 HB3 SER 115 2HB SER 115 -16.863 4.824 29.340 833 HG SER 115 HG SER 115 -16.444 6.829 30.070 834 H GLY 116 H GLY 116 -13.713 7.284 27.741 835 HA2 GLY 116 1HA GLY 116 -12.374 8.092 29.571 836 HA3 GLY 116 2HA GLY 116 -12.481 6.496 30.298 Start of MODEL 13 1 H1 GLY 1 H GLY 1 -2.804 -23.003 6.152 2 HA2 GLY 1 1HA GLY 1 -2.453 -23.866 8.740 3 HA3 GLY 1 2HA GLY 1 -3.867 -24.736 8.163 4 H SER 2 H SER 2 -3.621 -26.436 6.787 5 HA SER 2 HA SER 2 -1.208 -27.816 6.737 6 HB2 SER 2 1HB SER 2 -2.261 -29.256 5.028 7 HB3 SER 2 2HB SER 2 -3.364 -28.914 6.360 8 HG SER 2 HG SER 2 -4.634 -28.388 4.746 9 H SER 3 H SER 3 0.613 -27.077 5.861 10 HA SER 3 HA SER 3 0.822 -26.695 3.044 11 HB2 SER 3 1HB SER 3 -0.090 -24.455 4.073 12 HB3 SER 3 2HB SER 3 1.586 -24.231 4.571 13 HG SER 3 HG SER 3 0.560 -23.703 2.228 14 H GLY 4 H GLY 4 3.112 -25.939 2.463 15 HA2 GLY 4 1HA GLY 4 5.079 -26.563 4.536 16 HA3 GLY 4 2HA GLY 4 5.045 -27.604 3.120 17 H SER 5 H SER 5 4.543 -24.104 3.262 18 HA SER 5 HA SER 5 5.801 -23.289 1.060 19 HB2 SER 5 1HB SER 5 5.798 -22.062 3.802 20 HB3 SER 5 2HB SER 5 6.654 -21.273 2.478 21 HG SER 5 HG SER 5 4.809 -20.742 1.594 22 H SER 6 H SER 6 7.613 -24.048 0.182 23 HA SER 6 HA SER 6 10.092 -23.849 1.725 24 HB2 SER 6 1HB SER 6 8.930 -26.333 0.564 25 HB3 SER 6 2HB SER 6 10.674 -26.108 0.420 26 HG SER 6 HG SER 6 9.898 -25.487 2.906 27 H GLY 7 H GLY 7 12.037 -24.159 0.256 28 HA2 GLY 7 1HA GLY 7 13.223 -23.153 -1.455 29 HA3 GLY 7 2HA GLY 7 12.121 -24.090 -2.453 30 H ARG 8 H ARG 8 11.513 -21.271 -0.378 31 HA ARG 8 HA ARG 8 10.192 -19.974 -2.639 32 HB2 ARG 8 1HB ARG 8 9.200 -20.219 -0.253 33 HB3 ARG 8 2HB ARG 8 10.272 -18.887 0.159 34 HG2 ARG 8 1HG ARG 8 8.310 -17.795 -0.336 35 HG3 ARG 8 2HG ARG 8 9.171 -17.710 -1.874 36 HD2 ARG 8 1HD ARG 8 7.937 -19.792 -2.556 37 HD3 ARG 8 2HD ARG 8 6.960 -19.602 -1.101 38 HE ARG 8 HE ARG 8 7.050 -17.294 -2.844 39 HH11 ARG 8 2HH1 ARG 8 5.386 -20.222 -1.962 40 HH12 ARG 8 1HH1 ARG 8 3.877 -19.728 -2.655 41 HH21 ARG 8 2HH2 ARG 8 5.069 -16.632 -3.760 42 HH22 ARG 8 1HH2 ARG 8 3.698 -17.686 -3.679 43 H VAL 9 H VAL 9 11.637 -18.946 -3.898 44 HA VAL 9 HA VAL 9 13.274 -16.865 -2.635 45 HB VAL 9 HB VAL 9 14.291 -18.833 -4.689 46 HG11 VAL 9 1HG1 VAL 9 14.969 -16.168 -4.477 47 HG12 VAL 9 2HG1 VAL 9 16.225 -16.988 -3.548 48 HG13 VAL 9 3HG1 VAL 9 15.941 -17.432 -5.231 49 HG21 VAL 9 1HG2 VAL 9 16.069 -18.881 -2.660 50 HG22 VAL 9 2HG2 VAL 9 14.581 -18.561 -1.769 51 HG23 VAL 9 3HG2 VAL 9 14.705 -19.990 -2.796 52 H GLU 10 H GLU 10 12.319 -15.086 -3.421 53 HA GLU 10 HA GLU 10 11.965 -14.908 -6.341 54 HB2 GLU 10 1HB GLU 10 10.152 -14.082 -4.116 55 HB3 GLU 10 2HB GLU 10 10.169 -13.120 -5.587 56 HG2 GLU 10 1HG GLU 10 9.762 -16.091 -5.625 57 HG3 GLU 10 2HG GLU 10 8.430 -14.955 -5.419 58 H THR 11 H THR 11 13.865 -13.865 -6.789 59 HA THR 11 HA THR 11 14.437 -11.366 -5.361 60 HB THR 11 HB THR 11 16.212 -12.836 -7.317 61 HG1 THR 11 1HG THR 11 17.326 -13.340 -5.229 62 HG21 THR 11 1HG2 THR 11 17.662 -11.151 -7.097 63 HG22 THR 11 2HG2 THR 11 17.499 -11.157 -5.340 64 HG23 THR 11 3HG2 THR 11 16.364 -10.238 -6.328 65 H GLN 12 H GLN 12 13.980 -9.475 -6.269 66 HA GLN 12 HA GLN 12 12.809 -9.284 -8.842 67 HB2 GLN 12 1HB GLN 12 13.642 -7.336 -6.737 68 HB3 GLN 12 2HB GLN 12 13.281 -6.732 -8.349 69 HG2 GLN 12 1HG GLN 12 11.303 -6.538 -7.070 70 HG3 GLN 12 2HG GLN 12 11.066 -7.878 -8.190 71 HE21 GLN 12 1HE2 GLN 12 9.427 -8.694 -6.844 72 HE22 GLN 12 2HE2 GLN 12 9.800 -9.537 -5.383 73 HA PRO 13 HA PRO 13 16.208 -8.616 -11.531 74 HB2 PRO 13 1HB PRO 13 15.265 -6.687 -13.192 75 HB3 PRO 13 2HB PRO 13 14.687 -8.357 -13.233 76 HG2 PRO 13 1HG PRO 13 13.452 -5.957 -11.940 77 HG3 PRO 13 2HG PRO 13 12.677 -7.241 -12.886 78 HD2 PRO 13 1HD PRO 13 12.614 -7.184 -10.179 79 HD3 PRO 13 2HD PRO 13 12.634 -8.701 -11.102 80 H GLU 14 H GLU 14 17.580 -6.808 -12.548 81 HA GLU 14 HA GLU 14 17.912 -4.617 -10.604 82 HB2 GLU 14 1HB GLU 14 20.098 -6.121 -12.054 83 HB3 GLU 14 2HB GLU 14 20.338 -4.763 -10.964 84 HG2 GLU 14 1HG GLU 14 19.758 -6.004 -9.086 85 HG3 GLU 14 2HG GLU 14 18.949 -7.246 -10.041 86 H VAL 15 H VAL 15 17.090 -2.910 -11.674 87 HA VAL 15 HA VAL 15 18.532 -1.842 -13.892 88 HB VAL 15 HB VAL 15 17.107 -3.461 -15.094 89 HG11 VAL 15 1HG1 VAL 15 14.593 -2.200 -14.989 90 HG12 VAL 15 2HG1 VAL 15 15.021 -3.815 -14.420 91 HG13 VAL 15 3HG1 VAL 15 15.109 -2.439 -13.320 92 HG21 VAL 15 1HG2 VAL 15 16.443 -1.995 -16.810 93 HG22 VAL 15 2HG2 VAL 15 16.136 -0.677 -15.679 94 HG23 VAL 15 3HG2 VAL 15 17.792 -1.186 -16.011 95 H GLN 16 H GLN 16 17.585 0.256 -14.628 96 HA GLN 16 HA GLN 16 17.140 1.989 -12.548 97 HB2 GLN 16 1HB GLN 16 16.170 2.274 -15.397 98 HB3 GLN 16 2HB GLN 16 16.296 3.588 -14.235 99 HG2 GLN 16 1HG GLN 16 18.249 3.877 -15.352 100 HG3 GLN 16 2HG GLN 16 18.794 2.769 -14.094 101 HE21 GLN 16 1HE2 GLN 16 19.876 1.050 -14.733 102 HE22 GLN 16 2HE2 GLN 16 19.866 0.376 -16.324 103 H LEU 17 H LEU 17 15.599 1.685 -11.053 104 HA LEU 17 HA LEU 17 12.812 1.555 -11.992 105 HB2 LEU 17 1HB LEU 17 14.247 -0.168 -10.067 106 HB3 LEU 17 2HB LEU 17 12.616 0.324 -9.614 107 HG LEU 17 HG LEU 17 11.636 -0.894 -11.310 108 HD11 LEU 17 1HD1 LEU 17 14.266 -0.636 -12.724 109 HD12 LEU 17 2HD1 LEU 17 12.668 -0.101 -13.244 110 HD13 LEU 17 3HD1 LEU 17 13.061 -1.820 -13.228 111 HD21 LEU 17 1HD2 LEU 17 13.331 -3.016 -11.488 112 HD22 LEU 17 2HD2 LEU 17 12.228 -2.716 -10.145 113 HD23 LEU 17 3HD2 LEU 17 13.916 -2.215 -10.029 114 HA PRO 18 HA PRO 18 11.884 4.905 -9.317 115 HB2 PRO 18 1HB PRO 18 9.464 4.215 -8.297 116 HB3 PRO 18 2HB PRO 18 9.691 4.716 -9.977 117 HG2 PRO 18 1HG PRO 18 9.449 1.958 -8.838 118 HG3 PRO 18 2HG PRO 18 8.712 2.632 -10.304 119 HD2 PRO 18 1HD PRO 18 10.919 1.064 -10.372 120 HD3 PRO 18 2HD PRO 18 10.636 2.366 -11.545 121 H GLY 19 H GLY 19 11.023 5.408 -7.007 122 HA2 GLY 19 1HA GLY 19 12.366 3.538 -5.156 123 HA3 GLY 19 2HA GLY 19 12.282 5.278 -4.922 124 HA PRO 20 HA PRO 20 8.803 2.976 -2.671 125 HB2 PRO 20 1HB PRO 20 9.685 3.390 -0.137 126 HB3 PRO 20 2HB PRO 20 10.129 1.968 -1.089 127 HG2 PRO 20 1HG PRO 20 11.681 4.481 -0.599 128 HG3 PRO 20 2HG PRO 20 12.243 2.799 -0.589 129 HD2 PRO 20 1HD PRO 20 12.627 4.451 -2.700 130 HD3 PRO 20 2HD PRO 20 12.388 2.702 -2.888 131 H ALA 21 H ALA 21 7.123 4.327 -2.705 132 HA ALA 21 HA ALA 21 7.120 7.063 -2.595 133 HB1 ALA 21 1HB ALA 21 5.098 6.258 -3.270 134 HB2 ALA 21 2HB ALA 21 5.064 4.993 -2.040 135 HB3 ALA 21 3HB ALA 21 4.702 6.661 -1.599 136 HA PRO 22 HA PRO 22 8.398 7.615 1.685 137 HB2 PRO 22 1HB PRO 22 8.829 10.285 1.448 138 HB3 PRO 22 2HB PRO 22 9.990 9.071 0.895 139 HG2 PRO 22 1HG PRO 22 7.975 10.623 -0.684 140 HG3 PRO 22 2HG PRO 22 9.661 10.249 -1.083 141 HD2 PRO 22 1HD PRO 22 7.577 8.872 -2.128 142 HD3 PRO 22 2HD PRO 22 9.151 8.119 -1.800 143 H ASN 23 H ASN 23 7.773 9.472 3.302 144 HA ASN 23 HA ASN 23 6.039 10.101 4.672 145 HB2 ASN 23 1HB ASN 23 5.785 11.561 2.094 146 HB3 ASN 23 2HB ASN 23 4.449 11.707 3.231 147 HD21 ASN 23 1HD2 ASN 23 7.875 11.338 3.953 148 HD22 ASN 23 2HD2 ASN 23 8.058 12.864 4.742 149 H LEU 24 H LEU 24 5.559 7.546 3.778 150 HA LEU 24 HA LEU 24 2.929 7.316 2.651 151 HB2 LEU 24 1HB LEU 24 4.613 5.602 2.272 152 HB3 LEU 24 2HB LEU 24 4.692 5.277 4.002 153 HG LEU 24 HG LEU 24 2.299 4.538 3.881 154 HD11 LEU 24 1HD1 LEU 24 1.764 3.794 1.411 155 HD12 LEU 24 2HD1 LEU 24 2.775 5.185 1.019 156 HD13 LEU 24 3HD1 LEU 24 1.327 5.397 2.003 157 HD21 LEU 24 1HD2 LEU 24 2.860 2.382 2.703 158 HD22 LEU 24 2HD2 LEU 24 3.970 2.860 3.987 159 HD23 LEU 24 3HD2 LEU 24 4.418 3.102 2.298 160 H ARG 25 H ARG 25 1.294 8.095 3.847 161 HA ARG 25 HA ARG 25 1.173 7.356 6.692 162 HB2 ARG 25 1HB ARG 25 -0.615 9.411 5.444 163 HB3 ARG 25 2HB ARG 25 -0.071 9.277 7.111 164 HG2 ARG 25 1HG ARG 25 1.721 10.009 4.808 165 HG3 ARG 25 2HG ARG 25 0.918 11.178 5.858 166 HD2 ARG 25 1HD ARG 25 2.653 9.008 6.986 167 HD3 ARG 25 2HD ARG 25 3.351 10.511 6.384 168 HE ARG 25 HE ARG 25 1.504 11.444 8.054 169 HH11 ARG 25 2HH1 ARG 25 3.830 8.884 8.450 170 HH12 ARG 25 1HH1 ARG 25 3.981 9.109 10.161 171 HH21 ARG 25 2HH2 ARG 25 1.694 11.751 10.307 172 HH22 ARG 25 1HH2 ARG 25 2.765 10.740 11.216 173 H ALA 26 H ALA 26 -0.960 6.822 7.568 174 HA ALA 26 HA ALA 26 -3.010 5.967 5.716 175 HB1 ALA 26 1HB ALA 26 -2.997 3.620 6.575 176 HB2 ALA 26 2HB ALA 26 -1.610 4.040 5.570 177 HB3 ALA 26 3HB ALA 26 -1.438 3.963 7.324 178 H TYR 27 H TYR 27 -4.933 6.307 6.617 179 HA TYR 27 HA TYR 27 -5.290 5.952 9.490 180 HB2 TYR 27 1HB TYR 27 -6.482 8.179 9.611 181 HB3 TYR 27 2HB TYR 27 -4.733 8.269 9.436 182 HD1 TYR 27 2HD TYR 27 -3.729 9.041 7.346 183 HD2 TYR 27 1HD TYR 27 -7.954 8.911 7.837 184 HE1 TYR 27 2HE TYR 27 -3.997 10.482 5.372 185 HE2 TYR 27 1HE TYR 27 -8.233 10.351 5.863 186 HH TYR 27 HH TYR 27 -7.218 11.401 4.190 187 H ALA 28 H ALA 28 -7.437 5.602 10.120 188 HA ALA 28 HA ALA 28 -9.139 4.617 7.989 189 HB1 ALA 28 1HB ALA 28 -9.196 3.090 9.682 190 HB2 ALA 28 2HB ALA 28 -9.048 4.315 10.943 191 HB3 ALA 28 3HB ALA 28 -10.593 4.070 10.128 192 H ALA 29 H ALA 29 -10.465 5.977 6.989 193 HA ALA 29 HA ALA 29 -11.374 8.408 8.257 194 HB1 ALA 29 1HB ALA 29 -10.700 8.140 5.807 195 HB2 ALA 29 2HB ALA 29 -12.285 7.399 5.582 196 HB3 ALA 29 3HB ALA 29 -12.163 9.063 6.153 197 H SER 30 H SER 30 -12.467 5.221 8.071 198 HA SER 30 HA SER 30 -14.852 5.791 9.499 199 HB2 SER 30 1HB SER 30 -16.115 6.302 7.674 200 HB3 SER 30 2HB SER 30 -15.025 5.476 6.560 201 HG SER 30 HG SER 30 -16.319 3.836 6.631 202 HA PRO 31 HA PRO 31 -14.331 1.604 10.702 203 HB2 PRO 31 1HB PRO 31 -16.878 0.889 11.312 204 HB3 PRO 31 2HB PRO 31 -15.922 1.987 12.315 205 HG2 PRO 31 1HG PRO 31 -18.022 2.625 10.278 206 HG3 PRO 31 2HG PRO 31 -17.768 3.334 11.883 207 HD2 PRO 31 1HD PRO 31 -16.957 4.555 9.606 208 HD3 PRO 31 2HD PRO 31 -16.082 4.721 11.142 209 H THR 32 H THR 32 -15.642 2.408 7.816 210 HA THR 32 HA THR 32 -16.025 -0.414 7.061 211 HB THR 32 HB THR 32 -17.676 0.319 5.365 212 HG1 THR 32 1HG THR 32 -18.159 2.387 5.125 213 HG21 THR 32 1HG2 THR 32 -18.783 -0.522 7.200 214 HG22 THR 32 2HG2 THR 32 -19.431 1.118 7.158 215 HG23 THR 32 3HG2 THR 32 -18.140 0.709 8.286 216 H SER 33 H SER 33 -14.327 2.445 6.593 217 HA SER 33 HA SER 33 -13.104 1.361 4.162 218 HB2 SER 33 1HB SER 33 -13.422 3.229 2.873 219 HB3 SER 33 2HB SER 33 -14.869 3.354 3.873 220 HG SER 33 HG SER 33 -13.738 4.801 5.214 221 H ILE 34 H ILE 34 -11.102 2.856 3.620 222 HA ILE 34 HA ILE 34 -9.787 3.898 5.984 223 HB ILE 34 HB ILE 34 -8.735 1.468 4.538 224 HG12 ILE 34 1HG1 ILE 34 -9.311 1.943 7.470 225 HG13 ILE 34 2HG1 ILE 34 -10.384 1.090 6.366 226 HG21 ILE 34 1HG2 ILE 34 -7.325 3.612 5.904 227 HG22 ILE 34 2HG2 ILE 34 -6.983 2.024 6.589 228 HG23 ILE 34 3HG2 ILE 34 -6.702 2.323 4.874 229 HD11 ILE 34 1HD1 ILE 34 -7.812 -0.086 6.180 230 HD12 ILE 34 2HD1 ILE 34 -8.238 0.063 7.885 231 HD13 ILE 34 3HD1 ILE 34 -9.312 -0.792 6.779 232 H THR 35 H THR 35 -8.926 5.744 5.329 233 HA THR 35 HA THR 35 -8.231 6.142 2.537 234 HB THR 35 HB THR 35 -8.188 8.066 4.870 235 HG1 THR 35 1HG THR 35 -10.036 8.916 3.651 236 HG21 THR 35 1HG2 THR 35 -6.863 9.303 3.549 237 HG22 THR 35 2HG2 THR 35 -8.297 9.546 2.551 238 HG23 THR 35 3HG2 THR 35 -7.149 8.268 2.151 239 H VAL 36 H VAL 36 -6.218 6.270 1.725 240 HA VAL 36 HA VAL 36 -3.957 6.274 3.612 241 HB VAL 36 HB VAL 36 -4.145 4.604 1.101 242 HG11 VAL 36 1HG1 VAL 36 -2.015 3.630 2.373 243 HG12 VAL 36 2HG1 VAL 36 -1.903 4.950 1.207 244 HG13 VAL 36 3HG1 VAL 36 -1.927 5.299 2.936 245 HG21 VAL 36 1HG2 VAL 36 -4.636 2.777 2.360 246 HG22 VAL 36 2HG2 VAL 36 -3.788 3.389 3.781 247 HG23 VAL 36 3HG2 VAL 36 -5.392 4.003 3.378 248 H THR 37 H THR 37 -2.367 7.673 3.156 249 HA THR 37 HA THR 37 -2.346 8.929 0.490 250 HB THR 37 HB THR 37 -1.713 11.058 1.516 251 HG1 THR 37 1HG THR 37 -1.869 9.524 3.889 252 HG21 THR 37 1HG2 THR 37 -4.179 10.189 1.270 253 HG22 THR 37 2HG2 THR 37 -3.845 11.704 2.110 254 HG23 THR 37 3HG2 THR 37 -4.149 10.232 3.033 255 H TRP 38 H TRP 38 -0.410 9.108 -0.493 256 HA TRP 38 HA TRP 38 2.016 8.608 1.086 257 HB2 TRP 38 1HB TRP 38 2.878 7.184 -0.779 258 HB3 TRP 38 2HB TRP 38 1.502 6.485 0.069 259 HD1 TRP 38 HD TRP 38 2.567 7.807 -3.326 260 HE1 TRP 38 1HE TRP 38 0.723 7.290 -5.046 261 HE3 TRP 38 3HE TRP 38 -1.084 6.181 -0.138 262 HZ2 TRP 38 2HZ TRP 38 -1.928 6.321 -5.050 263 HZ3 TRP 38 3HZ TRP 38 -3.245 5.478 -1.080 264 HH2 TRP 38 HH TRP 38 -3.657 5.547 -3.486 265 H GLU 39 H GLU 39 4.019 9.208 -0.120 266 HA GLU 39 HA GLU 39 3.498 11.570 -1.800 267 HB2 GLU 39 1HB GLU 39 5.670 10.958 0.189 268 HB3 GLU 39 2HB GLU 39 5.879 12.201 -1.036 269 HG2 GLU 39 1HG GLU 39 3.611 13.094 -0.123 270 HG3 GLU 39 2HG GLU 39 4.025 12.135 1.297 271 H THR 40 H THR 40 5.274 12.096 -3.354 272 HA THR 40 HA THR 40 5.919 9.714 -4.876 273 HB THR 40 HB THR 40 6.276 12.652 -5.482 274 HG1 THR 40 1HG THR 40 4.549 10.644 -6.543 275 HG21 THR 40 1HG2 THR 40 7.716 10.498 -6.582 276 HG22 THR 40 2HG2 THR 40 7.639 12.158 -7.174 277 HG23 THR 40 3HG2 THR 40 6.506 10.951 -7.782 278 HA PRO 41 HA PRO 41 10.040 9.424 -3.274 279 HB2 PRO 41 1HB PRO 41 10.969 7.620 -5.078 280 HB3 PRO 41 2HB PRO 41 9.891 7.181 -3.748 281 HG2 PRO 41 1HG PRO 41 9.239 7.698 -6.624 282 HG3 PRO 41 2HG PRO 41 8.640 6.417 -5.553 283 HD2 PRO 41 1HD PRO 41 7.196 8.636 -6.118 284 HD3 PRO 41 2HD PRO 41 7.091 7.801 -4.555 285 H VAL 42 H VAL 42 11.246 11.209 -3.609 286 HA VAL 42 HA VAL 42 11.648 12.642 -5.907 287 HB VAL 42 HB VAL 42 13.681 13.536 -4.921 288 HG11 VAL 42 1HG1 VAL 42 11.518 14.271 -4.029 289 HG12 VAL 42 2HG1 VAL 42 11.593 12.995 -2.811 290 HG13 VAL 42 3HG1 VAL 42 12.778 14.302 -2.796 291 HG21 VAL 42 1HG2 VAL 42 13.481 11.146 -3.105 292 HG22 VAL 42 2HG2 VAL 42 14.820 11.608 -4.156 293 HG23 VAL 42 3HG2 VAL 42 14.458 12.563 -2.719 294 H SER 43 H SER 43 13.606 9.923 -4.728 295 HA SER 43 HA SER 43 15.280 9.963 -7.083 296 HB2 SER 43 1HB SER 43 16.394 9.326 -5.083 297 HB3 SER 43 2HB SER 43 15.139 8.158 -4.667 298 HG SER 43 HG SER 43 16.995 7.145 -5.539 299 H GLY 44 H GLY 44 13.958 9.532 -8.832 300 HA2 GLY 44 1HA GLY 44 13.266 6.734 -9.177 301 HA3 GLY 44 2HA GLY 44 11.907 7.848 -9.215 302 H ASN 45 H ASN 45 13.730 6.123 -11.181 303 HA ASN 45 HA ASN 45 14.546 8.033 -13.140 304 HB2 ASN 45 1HB ASN 45 14.101 5.050 -13.397 305 HB3 ASN 45 2HB ASN 45 14.919 6.065 -14.580 306 HD21 ASN 45 1HD2 ASN 45 17.031 6.403 -14.369 307 HD22 ASN 45 2HD2 ASN 45 17.983 5.935 -13.005 308 H GLY 46 H GLY 46 13.365 9.010 -14.651 309 HA2 GLY 46 1HA GLY 46 11.627 9.515 -16.065 310 HA3 GLY 46 2HA GLY 46 11.234 7.802 -16.056 311 H GLU 47 H GLU 47 9.341 9.919 -16.124 312 HA GLU 47 HA GLU 47 8.256 10.363 -13.523 313 HB2 GLU 47 1HB GLU 47 7.406 10.919 -16.322 314 HB3 GLU 47 2HB GLU 47 6.165 10.924 -15.076 315 HG2 GLU 47 1HG GLU 47 8.686 12.543 -14.875 316 HG3 GLU 47 2HG GLU 47 7.208 13.148 -15.621 317 H ILE 48 H ILE 48 6.750 9.250 -12.409 318 HA ILE 48 HA ILE 48 6.287 6.545 -12.947 319 HB ILE 48 HB ILE 48 4.658 8.381 -11.186 320 HG12 ILE 48 1HG1 ILE 48 7.006 8.399 -10.550 321 HG13 ILE 48 2HG1 ILE 48 6.081 7.485 -9.364 322 HG21 ILE 48 1HG2 ILE 48 4.928 5.383 -11.056 323 HG22 ILE 48 2HG2 ILE 48 3.891 6.407 -10.064 324 HG23 ILE 48 3HG2 ILE 48 3.563 6.228 -11.787 325 HD11 ILE 48 1HD1 ILE 48 7.525 5.834 -9.616 326 HD12 ILE 48 2HD1 ILE 48 6.932 5.621 -11.264 327 HD13 ILE 48 3HD1 ILE 48 8.316 6.668 -10.953 328 H GLN 49 H GLN 49 4.862 5.506 -14.184 329 HA GLN 49 HA GLN 49 3.041 6.999 -15.829 330 HB2 GLN 49 1HB GLN 49 3.404 4.008 -15.584 331 HB3 GLN 49 2HB GLN 49 2.530 4.842 -16.862 332 HG2 GLN 49 1HG GLN 49 5.483 4.893 -16.318 333 HG3 GLN 49 2HG GLN 49 4.650 4.230 -17.723 334 HE21 GLN 49 1HE2 GLN 49 6.759 6.188 -17.670 335 HE22 GLN 49 2HE2 GLN 49 6.130 7.619 -18.405 336 H ASN 50 H ASN 50 2.685 4.473 -13.348 337 HA ASN 50 HA ASN 50 0.135 5.607 -12.561 338 HB2 ASN 50 1HB ASN 50 -1.220 3.763 -13.013 339 HB3 ASN 50 2HB ASN 50 -0.202 3.849 -14.447 340 HD21 ASN 50 1HD2 ASN 50 -1.402 1.857 -12.098 341 HD22 ASN 50 2HD2 ASN 50 -0.294 0.541 -12.257 342 H TYR 51 H TYR 51 -0.723 4.565 -10.585 343 HA TYR 51 HA TYR 51 1.463 3.441 -8.960 344 HB2 TYR 51 1HB TYR 51 -0.780 5.304 -8.174 345 HB3 TYR 51 2HB TYR 51 0.242 4.477 -7.005 346 HD1 TYR 51 1HD TYR 51 2.721 4.953 -7.012 347 HD2 TYR 51 2HD TYR 51 -0.063 7.291 -9.223 348 HE1 TYR 51 1HE TYR 51 4.378 6.764 -7.172 349 HE2 TYR 51 2HE TYR 51 1.586 9.108 -9.390 350 HH TYR 51 HH TYR 51 4.889 8.701 -8.267 351 H LYS 52 H LYS 52 1.075 1.655 -7.740 352 HA LYS 52 HA LYS 52 -1.605 0.452 -7.979 353 HB2 LYS 52 1HB LYS 52 0.560 -0.609 -9.081 354 HB3 LYS 52 2HB LYS 52 0.806 -1.227 -7.453 355 HG2 LYS 52 1HG LYS 52 -1.368 -2.311 -7.515 356 HG3 LYS 52 2HG LYS 52 -1.658 -1.660 -9.129 357 HD2 LYS 52 1HD LYS 52 0.651 -2.860 -9.627 358 HD3 LYS 52 2HD LYS 52 0.152 -3.852 -8.255 359 HE2 LYS 52 1HE LYS 52 -0.827 -5.035 -9.938 360 HE3 LYS 52 2HE LYS 52 -2.132 -3.900 -9.596 361 HZ1 LYS 52 1HZ LYS 52 -2.020 -3.287 -11.707 362 HZ2 LYS 52 2HZ LYS 52 -0.650 -4.239 -11.982 363 HZ3 LYS 52 3HZ LYS 52 -0.478 -2.651 -11.425 364 H LEU 53 H LEU 53 -2.667 0.519 -6.118 365 HA LEU 53 HA LEU 53 -1.154 0.421 -3.604 366 HB2 LEU 53 1HB LEU 53 -2.512 2.329 -3.643 367 HB3 LEU 53 2HB LEU 53 -3.875 1.449 -4.332 368 HG LEU 53 HG LEU 53 -4.085 0.242 -2.144 369 HD11 LEU 53 1HD1 LEU 53 -1.936 0.495 -1.191 370 HD12 LEU 53 2HD1 LEU 53 -3.035 1.447 -0.194 371 HD13 LEU 53 3HD1 LEU 53 -1.987 2.250 -1.362 372 HD21 LEU 53 1HD2 LEU 53 -4.925 2.366 -0.935 373 HD22 LEU 53 2HD2 LEU 53 -5.674 1.900 -2.463 374 HD23 LEU 53 3HD2 LEU 53 -4.477 3.196 -2.426 375 H TYR 54 H TYR 54 -1.314 -1.260 -2.251 376 HA TYR 54 HA TYR 54 -3.179 -3.413 -2.975 377 HB2 TYR 54 1HB TYR 54 -0.577 -3.446 -1.443 378 HB3 TYR 54 2HB TYR 54 -1.647 -4.839 -1.558 379 HD1 TYR 54 2HD TYR 54 -0.225 -2.326 -3.943 380 HD2 TYR 54 1HD TYR 54 -0.955 -6.426 -3.069 381 HE1 TYR 54 2HE TYR 54 0.840 -2.963 -6.067 382 HE2 TYR 54 1HE TYR 54 0.110 -7.074 -5.189 383 HH TYR 54 HH TYR 54 0.783 -6.260 -7.236 384 H TYR 55 H TYR 55 -4.095 -4.684 -1.184 385 HA TYR 55 HA TYR 55 -4.208 -3.534 1.440 386 HB2 TYR 55 1HB TYR 55 -6.541 -2.925 1.465 387 HB3 TYR 55 2HB TYR 55 -5.752 -2.053 0.155 388 HD1 TYR 55 1HD TYR 55 -5.930 -3.118 -2.207 389 HD2 TYR 55 2HD TYR 55 -8.484 -4.129 1.042 390 HE1 TYR 55 1HE TYR 55 -7.595 -3.988 -3.795 391 HE2 TYR 55 2HE TYR 55 -10.156 -5.002 -0.536 392 HH TYR 55 HH TYR 55 -9.475 -5.588 -3.799 393 H MET 56 H MET 56 -4.681 -5.064 2.903 394 HA MET 56 HA MET 56 -6.334 -7.338 2.221 395 HB2 MET 56 1HB MET 56 -4.761 -9.003 2.274 396 HB3 MET 56 2HB MET 56 -3.797 -7.714 1.565 397 HG2 MET 56 1HG MET 56 -3.106 -7.185 3.980 398 HG3 MET 56 2HG MET 56 -3.742 -8.784 4.358 399 HE1 MET 56 1HE MET 56 -2.219 -9.999 5.108 400 HE2 MET 56 2HE MET 56 -1.049 -10.897 4.140 401 HE3 MET 56 3HE MET 56 -0.545 -9.450 5.014 402 H GLU 57 H GLU 57 -6.759 -8.727 4.099 403 HA GLU 57 HA GLU 57 -6.956 -7.121 6.502 404 HB2 GLU 57 1HB GLU 57 -8.908 -8.380 5.798 405 HB3 GLU 57 2HB GLU 57 -7.993 -9.881 5.839 406 HG2 GLU 57 1HG GLU 57 -7.618 -9.248 8.341 407 HG3 GLU 57 2HG GLU 57 -9.042 -8.240 8.091 408 H LYS 58 H LYS 58 -5.924 -7.469 8.406 409 HA LYS 58 HA LYS 58 -3.439 -8.766 8.414 410 HB2 LYS 58 1HB LYS 58 -4.493 -6.914 9.986 411 HB3 LYS 58 2HB LYS 58 -4.892 -8.308 10.982 412 HG2 LYS 58 1HG LYS 58 -2.868 -7.768 11.863 413 HG3 LYS 58 2HG LYS 58 -2.349 -8.882 10.595 414 HD2 LYS 58 1HD LYS 58 -2.222 -6.728 9.136 415 HD3 LYS 58 2HD LYS 58 -2.167 -5.898 10.693 416 HE2 LYS 58 1HE LYS 58 -0.306 -8.137 9.913 417 HE3 LYS 58 2HE LYS 58 0.070 -6.429 9.693 418 HZ1 LYS 58 1HZ LYS 58 0.837 -6.451 11.757 419 HZ2 LYS 58 2HZ LYS 58 0.253 -8.013 12.041 420 HZ3 LYS 58 3HZ LYS 58 -0.746 -6.675 12.309 421 H GLY 59 H GLY 59 -3.325 -10.908 8.035 422 HA2 GLY 59 1HA GLY 59 -3.235 -13.054 9.141 423 HA3 GLY 59 2HA GLY 59 -4.759 -12.661 9.924 424 H THR 60 H THR 60 -3.834 -12.391 6.509 425 HA THR 60 HA THR 60 -5.887 -14.408 5.877 426 HB THR 60 HB THR 60 -5.388 -12.134 3.996 427 HG1 THR 60 1HG THR 60 -6.150 -10.794 5.440 428 HG21 THR 60 1HG2 THR 60 -6.913 -13.351 2.895 429 HG22 THR 60 2HG2 THR 60 -8.079 -12.752 4.075 430 HG23 THR 60 3HG2 THR 60 -7.294 -14.310 4.324 431 H ASP 61 H ASP 61 -2.916 -12.784 4.891 432 HA ASP 61 HA ASP 61 -1.092 -13.577 3.767 433 HB2 ASP 61 1HB ASP 61 -1.834 -15.785 4.937 434 HB3 ASP 61 2HB ASP 61 -2.428 -16.231 3.340 435 H LYS 62 H LYS 62 -3.465 -12.380 2.515 436 HA LYS 62 HA LYS 62 -2.752 -12.948 -0.230 437 HB2 LYS 62 1HB LYS 62 -4.466 -14.602 0.025 438 HB3 LYS 62 2HB LYS 62 -5.531 -13.459 0.833 439 HG2 LYS 62 1HG LYS 62 -6.465 -13.433 -1.233 440 HG3 LYS 62 2HG LYS 62 -5.266 -12.156 -1.455 441 HD2 LYS 62 1HD LYS 62 -3.893 -13.489 -2.745 442 HD3 LYS 62 2HD LYS 62 -4.524 -14.986 -2.055 443 HE2 LYS 62 1HE LYS 62 -6.572 -14.755 -3.286 444 HE3 LYS 62 2HE LYS 62 -6.102 -13.153 -3.853 445 HZ1 LYS 62 1HZ LYS 62 -5.769 -15.311 -5.311 446 HZ2 LYS 62 2HZ LYS 62 -4.305 -15.370 -4.466 447 HZ3 LYS 62 3HZ LYS 62 -4.694 -14.007 -5.389 448 H GLU 63 H GLU 63 -2.310 -10.957 -0.911 449 HA GLU 63 HA GLU 63 -4.097 -8.762 -0.109 450 HB2 GLU 63 1HB GLU 63 -2.298 -7.254 -0.394 451 HB3 GLU 63 2HB GLU 63 -1.628 -8.635 0.463 452 HG2 GLU 63 1HG GLU 63 -1.452 -8.530 -2.510 453 HG3 GLU 63 2HG GLU 63 -0.345 -7.566 -1.534 454 H GLN 64 H GLN 64 -4.624 -7.142 -1.701 455 HA GLN 64 HA GLN 64 -4.668 -8.232 -4.438 456 HB2 GLN 64 1HB GLN 64 -6.712 -6.710 -2.860 457 HB3 GLN 64 2HB GLN 64 -6.713 -6.615 -4.616 458 HG2 GLN 64 1HG GLN 64 -6.700 -9.198 -4.514 459 HG3 GLN 64 2HG GLN 64 -7.239 -8.966 -2.852 460 HE21 GLN 64 1HE2 GLN 64 -7.965 -7.535 -6.022 461 HE22 GLN 64 2HE2 GLN 64 -9.682 -7.647 -5.868 462 H ASP 65 H ASP 65 -5.371 -6.175 -5.942 463 HA ASP 65 HA ASP 65 -3.635 -3.910 -5.290 464 HB2 ASP 65 1HB ASP 65 -2.706 -3.977 -7.624 465 HB3 ASP 65 2HB ASP 65 -2.179 -5.303 -6.591 466 H VAL 66 H VAL 66 -4.340 -1.971 -6.056 467 HA VAL 66 HA VAL 66 -6.705 -1.994 -7.813 468 HB VAL 66 HB VAL 66 -7.649 -0.119 -6.558 469 HG11 VAL 66 1HG1 VAL 66 -7.168 -2.051 -4.380 470 HG12 VAL 66 2HG1 VAL 66 -8.685 -1.451 -5.054 471 HG13 VAL 66 3HG1 VAL 66 -7.787 -2.718 -5.890 472 HG21 VAL 66 1HG2 VAL 66 -6.289 -0.186 -4.119 473 HG22 VAL 66 2HG2 VAL 66 -5.032 -0.098 -5.353 474 HG23 VAL 66 3HG2 VAL 66 -6.302 1.125 -5.299 475 H ASP 67 H ASP 67 -6.689 -0.572 -9.460 476 HA ASP 67 HA ASP 67 -4.266 0.867 -10.006 477 HB2 ASP 67 1HB ASP 67 -5.708 -0.306 -11.732 478 HB3 ASP 67 2HB ASP 67 -6.853 1.021 -11.555 479 H VAL 68 H VAL 68 -3.918 2.628 -8.779 480 HA VAL 68 HA VAL 68 -6.112 4.552 -8.427 481 HB VAL 68 HB VAL 68 -3.510 4.236 -6.929 482 HG11 VAL 68 1HG1 VAL 68 -4.769 6.038 -5.458 483 HG12 VAL 68 2HG1 VAL 68 -3.719 6.505 -6.797 484 HG13 VAL 68 3HG1 VAL 68 -5.469 6.469 -7.018 485 HG21 VAL 68 1HG2 VAL 68 -4.706 2.849 -5.667 486 HG22 VAL 68 2HG2 VAL 68 -5.702 4.226 -5.194 487 HG23 VAL 68 3HG2 VAL 68 -6.180 3.220 -6.562 488 H SER 69 H SER 69 -5.804 6.755 -8.866 489 HA SER 69 HA SER 69 -3.580 7.316 -10.716 490 HB2 SER 69 1HB SER 69 -5.025 8.911 -11.837 491 HB3 SER 69 2HB SER 69 -5.854 7.358 -11.737 492 HG SER 69 HG SER 69 -6.243 9.253 -9.706 493 H SER 70 H SER 70 -5.378 8.421 -7.937 494 HA SER 70 HA SER 70 -3.716 10.829 -7.754 495 HB2 SER 70 1HB SER 70 -6.300 9.996 -6.458 496 HB3 SER 70 2HB SER 70 -5.334 11.309 -5.786 497 HG SER 70 HG SER 70 -6.610 12.338 -7.187 498 H HIS 71 H HIS 71 -2.566 11.331 -5.846 499 HA HIS 71 HA HIS 71 -1.087 9.265 -4.730 500 HB2 HIS 71 1HB HIS 71 -1.614 12.069 -3.743 501 HB3 HIS 71 2HB HIS 71 -0.475 10.979 -2.958 502 HD1 HIS 71 1HD HIS 71 -0.590 13.562 -5.415 503 HD2 HIS 71 2HD HIS 71 1.575 10.046 -4.961 504 HE1 HIS 71 1HE HIS 71 1.415 13.810 -6.911 505 HE2 HIS 71 2HE HIS 71 2.666 11.636 -6.686 506 H SER 72 H SER 72 -3.949 10.919 -3.457 507 HA SER 72 HA SER 72 -4.022 9.044 -1.206 508 HB2 SER 72 1HB SER 72 -5.681 10.551 -0.227 509 HB3 SER 72 2HB SER 72 -4.241 11.455 -0.696 510 HG SER 72 HG SER 72 -6.026 11.336 -2.725 511 H TYR 73 H TYR 73 -5.506 7.474 -1.039 512 HA TYR 73 HA TYR 73 -7.816 7.507 -2.849 513 HB2 TYR 73 1HB TYR 73 -6.055 6.100 -3.867 514 HB3 TYR 73 2HB TYR 73 -6.022 5.110 -2.412 515 HD1 TYR 73 2HD TYR 73 -8.143 6.143 -5.267 516 HD2 TYR 73 1HD TYR 73 -7.586 3.367 -2.091 517 HE1 TYR 73 2HE TYR 73 -9.927 4.729 -6.198 518 HE2 TYR 73 1HE TYR 73 -9.368 1.945 -3.014 519 HH TYR 73 HH TYR 73 -11.195 1.992 -4.468 520 H THR 74 H THR 74 -9.669 6.587 -2.047 521 HA THR 74 HA THR 74 -9.563 5.778 0.783 522 HB THR 74 HB THR 74 -11.950 6.854 -0.729 523 HG1 THR 74 1HG THR 74 -9.930 8.104 0.783 524 HG21 THR 74 1HG2 THR 74 -12.612 5.484 1.142 525 HG22 THR 74 2HG2 THR 74 -12.860 7.178 1.566 526 HG23 THR 74 3HG2 THR 74 -11.465 6.305 2.200 527 H ILE 75 H ILE 75 -9.617 3.634 0.971 528 HA ILE 75 HA ILE 75 -11.001 1.999 -0.987 529 HB ILE 75 HB ILE 75 -9.430 1.208 1.468 530 HG12 ILE 75 1HG1 ILE 75 -8.632 0.854 -1.417 531 HG13 ILE 75 2HG1 ILE 75 -8.237 2.316 -0.520 532 HG21 ILE 75 1HG2 ILE 75 -10.799 -0.616 1.156 533 HG22 ILE 75 2HG2 ILE 75 -10.902 -0.375 -0.587 534 HG23 ILE 75 3HG2 ILE 75 -9.430 -1.034 0.125 535 HD11 ILE 75 1HD1 ILE 75 -7.294 -0.485 -0.020 536 HD12 ILE 75 2HD1 ILE 75 -6.339 0.951 -0.388 537 HD13 ILE 75 3HD1 ILE 75 -7.133 0.798 1.179 538 H ASN 76 H ASN 76 -13.128 1.763 -0.789 539 HA ASN 76 HA ASN 76 -14.345 1.763 1.871 540 HB2 ASN 76 1HB ASN 76 -15.414 2.138 -0.913 541 HB3 ASN 76 2HB ASN 76 -16.500 1.743 0.416 542 HD21 ASN 76 1HD2 ASN 76 -13.727 3.905 -0.091 543 HD22 ASN 76 2HD2 ASN 76 -14.485 5.307 0.576 544 H GLY 77 H GLY 77 -16.241 0.211 2.140 545 HA2 GLY 77 1HA GLY 77 -17.116 -1.925 2.131 546 HA3 GLY 77 2HA GLY 77 -16.167 -2.260 0.690 547 H LEU 78 H LEU 78 -15.588 -1.603 4.150 548 HA LEU 78 HA LEU 78 -13.795 -3.937 4.182 549 HB2 LEU 78 1HB LEU 78 -13.333 -1.356 5.667 550 HB3 LEU 78 2HB LEU 78 -12.282 -2.771 5.662 551 HG LEU 78 HG LEU 78 -12.848 -1.014 3.274 552 HD11 LEU 78 1HD1 LEU 78 -11.217 -0.491 5.467 553 HD12 LEU 78 2HD1 LEU 78 -11.171 0.302 3.893 554 HD13 LEU 78 3HD1 LEU 78 -10.122 -1.078 4.215 555 HD21 LEU 78 1HD2 LEU 78 -10.979 -3.345 3.681 556 HD22 LEU 78 2HD2 LEU 78 -10.937 -2.260 2.291 557 HD23 LEU 78 3HD2 LEU 78 -12.358 -3.263 2.585 558 H LYS 79 H LYS 79 -13.287 -4.539 6.563 559 HA LYS 79 HA LYS 79 -15.837 -4.964 7.859 560 HB2 LYS 79 1HB LYS 79 -13.040 -5.933 8.448 561 HB3 LYS 79 2HB LYS 79 -14.417 -6.314 9.473 562 HG2 LYS 79 1HG LYS 79 -14.466 -6.930 6.545 563 HG3 LYS 79 2HG LYS 79 -13.689 -8.019 7.696 564 HD2 LYS 79 1HD LYS 79 -16.484 -7.052 8.169 565 HD3 LYS 79 2HD LYS 79 -16.178 -8.398 7.069 566 HE2 LYS 79 1HE LYS 79 -16.361 -9.639 8.938 567 HE3 LYS 79 2HE LYS 79 -14.688 -9.147 9.195 568 HZ1 LYS 79 1HZ LYS 79 -17.123 -8.227 10.536 569 HZ2 LYS 79 2HZ LYS 79 -15.858 -7.121 10.346 570 HZ3 LYS 79 3HZ LYS 79 -15.597 -8.567 11.184 571 H LYS 80 H LYS 80 -16.065 -4.660 10.222 572 HA LYS 80 HA LYS 80 -15.123 -2.006 10.958 573 HB2 LYS 80 1HB LYS 80 -17.270 -3.840 11.965 574 HB3 LYS 80 2HB LYS 80 -16.708 -2.514 12.974 575 HG2 LYS 80 1HG LYS 80 -17.639 -0.923 11.648 576 HG3 LYS 80 2HG LYS 80 -17.451 -1.879 10.177 577 HD2 LYS 80 1HD LYS 80 -19.266 -3.378 11.005 578 HD3 LYS 80 2HD LYS 80 -19.510 -2.259 12.348 579 HE2 LYS 80 1HE LYS 80 -19.702 -1.502 9.436 580 HE3 LYS 80 2HE LYS 80 -21.082 -1.924 10.447 581 HZ1 LYS 80 1HZ LYS 80 -21.157 0.229 10.941 582 HZ2 LYS 80 2HZ LYS 80 -19.624 0.535 10.295 583 HZ3 LYS 80 3HZ LYS 80 -19.776 -0.019 11.886 584 H TYR 81 H TYR 81 -13.866 -1.539 12.720 585 HA TYR 81 HA TYR 81 -12.126 -1.885 14.158 586 HB2 TYR 81 1HB TYR 81 -14.224 -2.489 15.488 587 HB3 TYR 81 2HB TYR 81 -13.780 -4.171 15.223 588 HD1 TYR 81 2HD TYR 81 -12.343 -0.980 16.523 589 HD2 TYR 81 1HD TYR 81 -12.418 -5.227 16.770 590 HE1 TYR 81 2HE TYR 81 -10.851 -0.887 18.477 591 HE2 TYR 81 1HE TYR 81 -10.927 -5.146 18.725 592 HH TYR 81 HH TYR 81 -9.570 -2.090 19.874 593 H THR 82 H THR 82 -11.583 -3.039 11.748 594 HA THR 82 HA THR 82 -10.112 -5.461 12.545 595 HB THR 82 HB THR 82 -11.539 -5.027 9.915 596 HG1 THR 82 1HG THR 82 -13.070 -5.985 11.022 597 HG21 THR 82 1HG2 THR 82 -10.455 -7.671 10.343 598 HG22 THR 82 2HG2 THR 82 -9.182 -6.451 10.374 599 HG23 THR 82 3HG2 THR 82 -10.244 -6.581 8.973 600 H GLU 83 H GLU 83 -8.002 -5.463 12.047 601 HA GLU 83 HA GLU 83 -6.822 -3.103 10.941 602 HB2 GLU 83 1HB GLU 83 -5.909 -4.786 12.744 603 HB3 GLU 83 2HB GLU 83 -5.281 -5.636 11.339 604 HG2 GLU 83 1HG GLU 83 -3.953 -3.776 10.700 605 HG3 GLU 83 2HG GLU 83 -4.736 -2.733 11.885 606 H TYR 84 H TYR 84 -5.600 -2.909 9.043 607 HA TYR 84 HA TYR 84 -5.705 -5.090 7.109 608 HB2 TYR 84 1HB TYR 84 -7.063 -2.431 6.772 609 HB3 TYR 84 2HB TYR 84 -6.478 -3.321 5.371 610 HD1 TYR 84 2HD TYR 84 -7.510 -5.434 4.718 611 HD2 TYR 84 1HD TYR 84 -8.962 -3.220 8.049 612 HE1 TYR 84 2HE TYR 84 -9.574 -6.771 4.700 613 HE2 TYR 84 1HE TYR 84 -11.030 -4.552 8.041 614 HH TYR 84 HH TYR 84 -11.785 -6.756 5.463 615 H SER 85 H SER 85 -3.955 -5.161 5.816 616 HA SER 85 HA SER 85 -1.835 -3.257 6.317 617 HB2 SER 85 1HB SER 85 -1.545 -5.795 6.119 618 HB3 SER 85 2HB SER 85 -1.726 -5.567 4.380 619 HG SER 85 HG SER 85 0.234 -4.360 6.043 620 H PHE 86 H PHE 86 -0.729 -2.077 4.699 621 HA PHE 86 HA PHE 86 -1.998 -1.837 2.086 622 HB2 PHE 86 1HB PHE 86 -1.701 0.479 4.008 623 HB3 PHE 86 2HB PHE 86 -2.079 0.655 2.298 624 HD1 PHE 86 2HD PHE 86 -4.166 -0.688 1.471 625 HD2 PHE 86 1HD PHE 86 -3.420 0.353 5.530 626 HE1 PHE 86 2HE PHE 86 -6.560 -0.948 1.973 627 HE2 PHE 86 1HE PHE 86 -5.813 0.094 6.039 628 HZ PHE 86 HZ PHE 86 -7.387 -0.556 4.260 629 H ARG 87 H ARG 87 -0.609 -1.257 0.480 630 HA ARG 87 HA ARG 87 1.993 -0.141 1.119 631 HB2 ARG 87 1HB ARG 87 3.253 -1.925 0.046 632 HB3 ARG 87 2HB ARG 87 2.326 -2.565 1.397 633 HG2 ARG 87 1HG ARG 87 0.809 -3.650 -0.002 634 HG3 ARG 87 2HG ARG 87 1.277 -2.687 -1.405 635 HD2 ARG 87 1HD ARG 87 2.387 -4.618 -1.891 636 HD3 ARG 87 2HD ARG 87 3.626 -3.806 -0.934 637 HE ARG 87 HE ARG 87 1.861 -5.486 0.601 638 HH11 ARG 87 2HH1 ARG 87 4.792 -5.339 -1.272 639 HH12 ARG 87 1HH1 ARG 87 5.497 -6.731 -0.519 640 HH21 ARG 87 2HH2 ARG 87 2.779 -7.320 1.600 641 HH22 ARG 87 1HH2 ARG 87 4.351 -7.857 1.114 642 H VAL 88 H VAL 88 2.802 1.074 -0.510 643 HA VAL 88 HA VAL 88 1.211 1.196 -2.976 644 HB VAL 88 HB VAL 88 3.117 3.227 -1.805 645 HG11 VAL 88 1HG1 VAL 88 2.905 4.503 -3.654 646 HG12 VAL 88 2HG1 VAL 88 2.584 2.952 -4.433 647 HG13 VAL 88 3HG1 VAL 88 1.244 3.991 -3.948 648 HG21 VAL 88 1HG2 VAL 88 0.523 2.637 -1.053 649 HG22 VAL 88 2HG2 VAL 88 1.389 4.138 -0.726 650 HG23 VAL 88 3HG2 VAL 88 0.343 4.015 -2.140 651 H VAL 89 H VAL 89 2.096 0.879 -4.953 652 HA VAL 89 HA VAL 89 4.988 0.321 -5.071 653 HB VAL 89 HB VAL 89 2.816 -1.137 -6.583 654 HG11 VAL 89 1HG1 VAL 89 4.387 -1.829 -7.989 655 HG12 VAL 89 2HG1 VAL 89 5.549 -0.768 -7.191 656 HG13 VAL 89 3HG1 VAL 89 5.355 -2.434 -6.646 657 HG21 VAL 89 1HG2 VAL 89 4.076 -3.044 -5.172 658 HG22 VAL 89 2HG2 VAL 89 4.251 -1.686 -4.060 659 HG23 VAL 89 3HG2 VAL 89 2.646 -2.192 -4.588 660 H ALA 90 H ALA 90 6.105 1.271 -6.678 661 HA ALA 90 HA ALA 90 4.675 3.137 -8.393 662 HB1 ALA 90 1HB ALA 90 6.895 4.015 -8.938 663 HB2 ALA 90 2HB ALA 90 6.634 3.942 -7.194 664 HB3 ALA 90 3HB ALA 90 7.635 2.726 -7.988 665 H TYR 91 H TYR 91 4.573 3.038 -10.591 666 HA TYR 91 HA TYR 91 5.856 0.740 -11.907 667 HB2 TYR 91 1HB TYR 91 2.981 1.573 -11.957 668 HB3 TYR 91 2HB TYR 91 3.680 0.808 -13.380 669 HD1 TYR 91 2HD TYR 91 2.855 0.332 -9.817 670 HD2 TYR 91 1HD TYR 91 4.170 -1.531 -13.410 671 HE1 TYR 91 2HE TYR 91 2.493 -1.877 -8.798 672 HE2 TYR 91 1HE TYR 91 3.810 -3.745 -12.401 673 HH TYR 91 HH TYR 91 3.031 -4.862 -10.640 674 H ASN 92 H ASN 92 7.290 1.562 -13.278 675 HA ASN 92 HA ASN 92 6.483 3.867 -14.925 676 HB2 ASN 92 1HB ASN 92 8.827 4.595 -14.947 677 HB3 ASN 92 2HB ASN 92 8.202 4.528 -13.302 678 HD21 ASN 92 1HD2 ASN 92 10.818 4.589 -13.496 679 HD22 ASN 92 2HD2 ASN 92 11.528 3.042 -13.197 680 H LYS 93 H LYS 93 7.579 3.991 -17.031 681 HA LYS 93 HA LYS 93 7.177 1.968 -18.716 682 HB2 LYS 93 1HB LYS 93 8.880 2.870 -20.204 683 HB3 LYS 93 2HB LYS 93 8.012 4.178 -19.411 684 HG2 LYS 93 1HG LYS 93 9.889 4.342 -17.781 685 HG3 LYS 93 2HG LYS 93 10.767 3.161 -18.754 686 HD2 LYS 93 1HD LYS 93 9.656 5.609 -20.057 687 HD3 LYS 93 2HD LYS 93 11.149 5.723 -19.121 688 HE2 LYS 93 1HE LYS 93 11.814 3.620 -20.559 689 HE3 LYS 93 2HE LYS 93 10.596 4.263 -21.660 690 HZ1 LYS 93 1HZ LYS 93 12.151 5.628 -22.413 691 HZ2 LYS 93 2HZ LYS 93 13.247 5.160 -21.213 692 HZ3 LYS 93 3HZ LYS 93 12.152 6.414 -20.914 693 H HIS 94 H HIS 94 10.183 2.365 -16.864 694 HA HIS 94 HA HIS 94 11.550 0.146 -17.855 695 HB2 HIS 94 1HB HIS 94 11.753 1.080 -14.997 696 HB3 HIS 94 2HB HIS 94 13.012 0.370 -16.003 697 HD1 HIS 94 1HD HIS 94 12.718 2.200 -18.483 698 HD2 HIS 94 2HD HIS 94 12.828 3.550 -14.555 699 HE1 HIS 94 1HE HIS 94 13.478 4.594 -18.616 700 HE2 HIS 94 2HE HIS 94 13.619 5.363 -16.222 701 H GLY 95 H GLY 95 9.906 0.318 -14.687 702 HA2 GLY 95 1HA GLY 95 8.312 -1.918 -14.904 703 HA3 GLY 95 2HA GLY 95 9.882 -2.525 -14.401 704 HA PRO 96 HA PRO 96 7.294 -1.124 -10.714 705 HB2 PRO 96 1HB PRO 96 7.046 -3.565 -9.552 706 HB3 PRO 96 2HB PRO 96 5.886 -2.940 -10.730 707 HG2 PRO 96 1HG PRO 96 8.150 -4.857 -11.134 708 HG3 PRO 96 2HG PRO 96 6.499 -4.924 -11.778 709 HD2 PRO 96 1HD PRO 96 8.603 -4.066 -13.250 710 HD3 PRO 96 2HD PRO 96 6.962 -3.424 -13.466 711 H GLY 97 H GLY 97 8.872 -0.104 -9.590 712 HA2 GLY 97 1HA GLY 97 11.352 -1.344 -8.892 713 HA3 GLY 97 2HA GLY 97 10.774 0.217 -8.328 714 H VAL 98 H VAL 98 11.796 -0.510 -6.300 715 HA VAL 98 HA VAL 98 11.094 -2.674 -4.771 716 HB VAL 98 HB VAL 98 11.535 -1.246 -2.766 717 HG11 VAL 98 1HG1 VAL 98 13.436 -1.277 -5.089 718 HG12 VAL 98 2HG1 VAL 98 13.900 -0.622 -3.517 719 HG13 VAL 98 3HG1 VAL 98 13.417 -2.313 -3.662 720 HG21 VAL 98 1HG2 VAL 98 11.207 0.946 -2.903 721 HG22 VAL 98 2HG2 VAL 98 12.580 1.055 -4.004 722 HG23 VAL 98 3HG2 VAL 98 10.952 0.836 -4.644 723 H SER 99 H SER 99 9.832 -2.343 -2.563 724 HA SER 99 HA SER 99 7.215 -1.137 -3.154 725 HB2 SER 99 1HB SER 99 6.847 -3.455 -3.534 726 HB3 SER 99 2HB SER 99 7.780 -3.913 -2.109 727 HG SER 99 HG SER 99 5.731 -2.256 -1.472 728 H THR 100 H THR 100 6.384 0.063 -1.558 729 HA THR 100 HA THR 100 7.890 0.818 0.665 730 HB THR 100 HB THR 100 5.666 1.738 1.541 731 HG1 THR 100 1HG THR 100 4.276 0.323 0.417 732 HG21 THR 100 1HG2 THR 100 6.321 2.585 -1.272 733 HG22 THR 100 2HG2 THR 100 7.380 2.941 0.092 734 HG23 THR 100 3HG2 THR 100 5.736 3.578 0.062 735 HA PRO 101 HA PRO 101 7.168 -2.215 3.756 736 HB2 PRO 101 1HB PRO 101 7.105 -0.689 6.001 737 HB3 PRO 101 2HB PRO 101 8.592 -1.015 5.103 738 HG2 PRO 101 1HG PRO 101 6.829 1.403 5.034 739 HG3 PRO 101 2HG PRO 101 8.599 1.310 5.069 740 HD2 PRO 101 1HD PRO 101 7.210 1.768 2.791 741 HD3 PRO 101 2HD PRO 101 8.747 0.880 2.810 742 H ASP 102 H ASP 102 5.399 -3.291 4.352 743 HA ASP 102 HA ASP 102 2.824 -2.626 3.977 744 HB2 ASP 102 1HB ASP 102 2.181 -4.314 5.575 745 HB3 ASP 102 2HB ASP 102 3.649 -4.849 4.762 746 H VAL 103 H VAL 103 1.131 -1.674 5.103 747 HA VAL 103 HA VAL 103 1.851 -0.143 7.510 748 HB VAL 103 HB VAL 103 0.314 0.904 5.130 749 HG11 VAL 103 1HG1 VAL 103 0.683 3.028 6.802 750 HG12 VAL 103 2HG1 VAL 103 -0.808 2.095 6.664 751 HG13 VAL 103 3HG1 VAL 103 0.351 1.724 7.941 752 HG21 VAL 103 1HG2 VAL 103 3.081 1.065 5.966 753 HG22 VAL 103 2HG2 VAL 103 2.335 1.543 4.441 754 HG23 VAL 103 3HG2 VAL 103 2.352 2.663 5.803 755 H ALA 104 H ALA 104 0.766 -1.937 8.584 756 HA ALA 104 HA ALA 104 -1.998 -2.466 8.139 757 HB1 ALA 104 1HB ALA 104 -0.813 -3.075 10.782 758 HB2 ALA 104 2HB ALA 104 -1.786 -4.085 9.712 759 HB3 ALA 104 3HB ALA 104 -0.072 -3.839 9.375 760 H VAL 105 H VAL 105 -3.740 -1.433 8.877 761 HA VAL 105 HA VAL 105 -3.465 0.363 11.185 762 HB VAL 105 HB VAL 105 -3.342 1.701 9.088 763 HG11 VAL 105 1HG1 VAL 105 -4.682 1.225 7.384 764 HG12 VAL 105 2HG1 VAL 105 -5.544 0.039 8.365 765 HG13 VAL 105 3HG1 VAL 105 -6.070 1.723 8.352 766 HG21 VAL 105 1HG2 VAL 105 -4.098 3.204 10.555 767 HG22 VAL 105 2HG2 VAL 105 -5.691 2.940 9.845 768 HG23 VAL 105 3HG2 VAL 105 -5.210 2.047 11.288 769 H ARG 106 H ARG 106 -5.284 0.569 12.469 770 HA ARG 106 HA ARG 106 -7.315 -1.487 12.052 771 HB2 ARG 106 1HB ARG 106 -6.066 -1.225 14.242 772 HB3 ARG 106 2HB ARG 106 -6.956 0.274 14.475 773 HG2 ARG 106 1HG ARG 106 -9.058 -1.173 14.152 774 HG3 ARG 106 2HG ARG 106 -7.979 -2.537 14.448 775 HD2 ARG 106 1HD ARG 106 -8.345 -0.180 16.294 776 HD3 ARG 106 2HD ARG 106 -9.124 -1.750 16.491 777 HE ARG 106 HE ARG 106 -6.462 -1.067 17.218 778 HH11 ARG 106 2HH1 ARG 106 -8.430 -3.670 16.004 779 HH12 ARG 106 1HH1 ARG 106 -7.403 -4.915 16.634 780 HH21 ARG 106 2HH2 ARG 106 -5.102 -2.697 18.053 781 HH22 ARG 106 1HH2 ARG 106 -5.510 -4.360 17.800 782 H THR 107 H THR 107 -9.342 -1.053 11.461 783 HA THR 107 HA THR 107 -10.092 1.595 10.714 784 HB THR 107 HB THR 107 -12.332 0.549 10.229 785 HG1 THR 107 1HG THR 107 -12.359 -1.774 10.350 786 HG21 THR 107 1HG2 THR 107 -9.966 0.395 8.841 787 HG22 THR 107 2HG2 THR 107 -11.554 -0.033 8.206 788 HG23 THR 107 3HG2 THR 107 -10.504 -1.284 8.872 789 H LEU 108 H LEU 108 -12.095 2.658 11.435 790 HA LEU 108 HA LEU 108 -12.110 3.059 14.220 791 HB2 LEU 108 1HB LEU 108 -14.250 3.780 12.224 792 HB3 LEU 108 2HB LEU 108 -14.052 4.468 13.834 793 HG LEU 108 HG LEU 108 -12.049 4.769 11.600 794 HD11 LEU 108 1HD1 LEU 108 -13.086 6.621 10.872 795 HD12 LEU 108 2HD1 LEU 108 -13.591 7.101 12.492 796 HD13 LEU 108 3HD1 LEU 108 -14.516 5.891 11.603 797 HD21 LEU 108 1HD2 LEU 108 -12.231 5.721 14.416 798 HD22 LEU 108 2HD2 LEU 108 -11.481 6.766 13.209 799 HD23 LEU 108 3HD2 LEU 108 -10.833 5.152 13.505 800 H SER 109 H SER 109 -13.756 2.628 15.764 801 HA SER 109 HA SER 109 -15.143 0.097 15.249 802 HB2 SER 109 1HB SER 109 -15.045 -0.341 17.538 803 HB3 SER 109 2HB SER 109 -13.538 0.532 17.262 804 HG SER 109 HG SER 109 -15.895 1.392 18.520 805 H ASP 110 H ASP 110 -17.261 0.062 14.937 806 HA ASP 110 HA ASP 110 -18.822 2.462 15.157 807 HB2 ASP 110 1HB ASP 110 -19.509 1.207 13.342 808 HB3 ASP 110 2HB ASP 110 -19.312 -0.324 14.191 809 H SER 111 H SER 111 -18.974 -0.745 16.703 810 HA SER 111 HA SER 111 -21.067 -0.162 18.468 811 HB2 SER 111 1HB SER 111 -20.119 -2.448 17.928 812 HB3 SER 111 2HB SER 111 -18.799 -2.077 19.036 813 HG SER 111 HG SER 111 -21.076 -3.115 19.678 814 H GLY 112 H GLY 112 -17.584 -0.359 19.243 815 HA2 GLY 112 1HA GLY 112 -17.286 2.035 20.552 816 HA3 GLY 112 2HA GLY 112 -17.943 0.947 21.766 817 HA PRO 113 HA PRO 113 -13.276 0.607 21.638 818 HB2 PRO 113 1HB PRO 113 -12.885 1.189 24.260 819 HB3 PRO 113 2HB PRO 113 -12.952 2.427 23.001 820 HG2 PRO 113 1HG PRO 113 -15.087 1.546 24.905 821 HG3 PRO 113 2HG PRO 113 -14.640 3.188 24.407 822 HD2 PRO 113 1HD PRO 113 -16.768 1.878 23.365 823 HD3 PRO 113 2HD PRO 113 -15.810 3.041 22.427 824 H SER 114 H SER 114 -15.852 -0.631 23.618 825 HA SER 114 HA SER 114 -14.225 -2.752 24.745 826 HB2 SER 114 1HB SER 114 -16.330 -3.466 25.835 827 HB3 SER 114 2HB SER 114 -15.977 -1.764 26.133 828 HG SER 114 HG SER 114 -17.877 -1.397 25.338 829 H SER 115 H SER 115 -13.635 -4.293 23.349 830 HA SER 115 HA SER 115 -15.753 -5.570 21.752 831 HB2 SER 115 1HB SER 115 -14.038 -4.106 20.461 832 HB3 SER 115 2HB SER 115 -12.912 -5.427 20.773 833 HG SER 115 HG SER 115 -14.142 -6.773 19.566 834 H GLY 116 H GLY 116 -16.055 -7.288 23.124 835 HA2 GLY 116 1HA GLY 116 -14.029 -9.349 23.019 836 HA3 GLY 116 2HA GLY 116 -14.333 -8.724 24.633 Start of MODEL 14 1 H1 GLY 1 H GLY 1 1.315 -21.952 -18.081 2 HA2 GLY 1 1HA GLY 1 2.442 -20.368 -16.668 3 HA3 GLY 1 2HA GLY 1 1.553 -19.081 -17.470 4 H SER 2 H SER 2 0.549 -18.147 -15.767 5 HA SER 2 HA SER 2 -0.656 -17.991 -13.797 6 HB2 SER 2 1HB SER 2 -2.995 -18.576 -14.176 7 HB3 SER 2 2HB SER 2 -2.306 -17.882 -15.644 8 HG SER 2 HG SER 2 -3.258 -20.418 -15.169 9 H SER 3 H SER 3 1.179 -20.041 -13.491 10 HA SER 3 HA SER 3 -0.316 -22.264 -12.302 11 HB2 SER 3 1HB SER 3 2.629 -21.934 -12.915 12 HB3 SER 3 2HB SER 3 1.936 -23.347 -12.120 13 HG SER 3 HG SER 3 1.141 -24.008 -13.968 14 H GLY 4 H GLY 4 2.441 -20.155 -11.458 15 HA2 GLY 4 1HA GLY 4 1.760 -19.047 -9.156 16 HA3 GLY 4 2HA GLY 4 1.975 -20.709 -8.628 17 H SER 5 H SER 5 3.452 -18.338 -7.818 18 HA SER 5 HA SER 5 6.135 -19.336 -8.418 19 HB2 SER 5 1HB SER 5 5.207 -16.491 -8.805 20 HB3 SER 5 2HB SER 5 6.907 -16.906 -8.590 21 HG SER 5 HG SER 5 6.931 -17.409 -10.618 22 H SER 6 H SER 6 7.555 -19.198 -6.736 23 HA SER 6 HA SER 6 6.887 -17.604 -4.397 24 HB2 SER 6 1HB SER 6 6.823 -20.597 -4.465 25 HB3 SER 6 2HB SER 6 7.377 -19.783 -3.001 26 HG SER 6 HG SER 6 4.977 -20.283 -3.412 27 H GLY 7 H GLY 7 8.671 -16.749 -3.539 28 HA2 GLY 7 1HA GLY 7 10.917 -17.105 -2.645 29 HA3 GLY 7 2HA GLY 7 11.244 -18.107 -4.051 30 H ARG 8 H ARG 8 10.925 -16.890 -6.202 31 HA ARG 8 HA ARG 8 11.821 -15.334 -7.607 32 HB2 ARG 8 1HB ARG 8 10.815 -13.414 -5.499 33 HB3 ARG 8 2HB ARG 8 11.183 -13.019 -7.173 34 HG2 ARG 8 1HG ARG 8 9.109 -15.059 -6.442 35 HG3 ARG 8 2HG ARG 8 8.740 -13.337 -6.553 36 HD2 ARG 8 1HD ARG 8 8.243 -13.959 -8.688 37 HD3 ARG 8 2HD ARG 8 9.958 -13.602 -8.888 38 HE ARG 8 HE ARG 8 9.948 -16.231 -8.259 39 HH11 ARG 8 2HH1 ARG 8 8.248 -14.337 -10.635 40 HH12 ARG 8 1HH1 ARG 8 8.139 -15.633 -11.780 41 HH21 ARG 8 2HH2 ARG 8 9.810 -17.945 -9.758 42 HH22 ARG 8 1HH2 ARG 8 9.027 -17.685 -11.279 43 H VAL 9 H VAL 9 13.831 -16.445 -6.351 44 HA VAL 9 HA VAL 9 15.502 -15.309 -4.613 45 HB VAL 9 HB VAL 9 16.242 -16.417 -7.317 46 HG11 VAL 9 1HG1 VAL 9 17.997 -14.880 -6.473 47 HG12 VAL 9 2HG1 VAL 9 18.111 -15.868 -5.015 48 HG13 VAL 9 3HG1 VAL 9 18.529 -16.558 -6.584 49 HG21 VAL 9 1HG2 VAL 9 17.137 -18.139 -5.388 50 HG22 VAL 9 2HG2 VAL 9 15.639 -17.532 -4.682 51 HG23 VAL 9 3HG2 VAL 9 15.618 -18.298 -6.270 52 H GLU 10 H GLU 10 16.785 -13.550 -4.380 53 HA GLU 10 HA GLU 10 16.550 -11.476 -6.443 54 HB2 GLU 10 1HB GLU 10 17.100 -11.368 -3.486 55 HB3 GLU 10 2HB GLU 10 17.418 -9.992 -4.532 56 HG2 GLU 10 1HG GLU 10 15.320 -9.477 -3.832 57 HG3 GLU 10 2HG GLU 10 14.934 -10.403 -5.281 58 H THR 11 H THR 11 18.198 -12.424 -7.769 59 HA THR 11 HA THR 11 20.914 -11.887 -6.758 60 HB THR 11 HB THR 11 21.654 -13.692 -8.416 61 HG1 THR 11 1HG THR 11 19.585 -15.259 -8.302 62 HG21 THR 11 1HG2 THR 11 21.526 -13.879 -5.880 63 HG22 THR 11 2HG2 THR 11 21.503 -15.394 -6.783 64 HG23 THR 11 3HG2 THR 11 20.005 -14.736 -6.125 65 H GLN 12 H GLN 12 20.588 -9.753 -7.694 66 HA GLN 12 HA GLN 12 21.630 -9.610 -10.353 67 HB2 GLN 12 1HB GLN 12 19.829 -8.537 -11.463 68 HB3 GLN 12 2HB GLN 12 19.149 -9.969 -10.702 69 HG2 GLN 12 1HG GLN 12 19.058 -7.373 -9.249 70 HG3 GLN 12 2HG GLN 12 17.925 -7.668 -10.566 71 HE21 GLN 12 1HE2 GLN 12 16.957 -9.994 -10.401 72 HE22 GLN 12 2HE2 GLN 12 16.325 -10.399 -8.845 73 HA PRO 13 HA PRO 13 23.242 -5.864 -8.721 74 HB2 PRO 13 1HB PRO 13 23.785 -4.532 -11.024 75 HB3 PRO 13 2HB PRO 13 24.740 -5.910 -10.463 76 HG2 PRO 13 1HG PRO 13 22.559 -5.825 -12.512 77 HG3 PRO 13 2HG PRO 13 24.111 -6.681 -12.565 78 HD2 PRO 13 1HD PRO 13 21.784 -7.921 -11.952 79 HD3 PRO 13 2HD PRO 13 23.341 -8.417 -11.259 80 H GLU 14 H GLU 14 23.010 -3.421 -8.979 81 HA GLU 14 HA GLU 14 20.488 -2.576 -8.367 82 HB2 GLU 14 1HB GLU 14 22.726 -1.302 -8.258 83 HB3 GLU 14 2HB GLU 14 22.366 -0.798 -9.904 84 HG2 GLU 14 1HG GLU 14 21.714 0.838 -8.149 85 HG3 GLU 14 2HG GLU 14 20.400 0.341 -9.214 86 H VAL 15 H VAL 15 18.709 -1.824 -9.435 87 HA VAL 15 HA VAL 15 18.732 -2.104 -12.371 88 HB VAL 15 HB VAL 15 17.352 -3.802 -11.141 89 HG11 VAL 15 1HG1 VAL 15 16.186 -3.024 -9.400 90 HG12 VAL 15 2HG1 VAL 15 16.247 -1.361 -9.989 91 HG13 VAL 15 3HG1 VAL 15 15.015 -2.469 -10.596 92 HG21 VAL 15 1HG2 VAL 15 15.384 -3.550 -12.603 93 HG22 VAL 15 2HG2 VAL 15 15.899 -1.908 -12.987 94 HG23 VAL 15 3HG2 VAL 15 16.899 -3.280 -13.464 95 H GLN 16 H GLN 16 17.250 -0.718 -13.550 96 HA GLN 16 HA GLN 16 17.230 1.961 -12.444 97 HB2 GLN 16 1HB GLN 16 16.398 2.579 -14.737 98 HB3 GLN 16 2HB GLN 16 17.973 1.798 -14.703 99 HG2 GLN 16 1HG GLN 16 16.960 -0.312 -15.357 100 HG3 GLN 16 2HG GLN 16 15.366 0.441 -15.352 101 HE21 GLN 16 1HE2 GLN 16 15.306 -0.342 -17.569 102 HE22 GLN 16 2HE2 GLN 16 16.014 0.619 -18.817 103 H LEU 17 H LEU 17 15.628 1.454 -10.784 104 HA LEU 17 HA LEU 17 12.901 1.722 -11.848 105 HB2 LEU 17 1HB LEU 17 13.959 -0.249 -9.896 106 HB3 LEU 17 2HB LEU 17 12.350 0.408 -9.608 107 HG LEU 17 HG LEU 17 12.305 -1.756 -10.780 108 HD11 LEU 17 1HD1 LEU 17 10.851 -1.016 -12.672 109 HD12 LEU 17 2HD1 LEU 17 11.317 0.645 -12.305 110 HD13 LEU 17 3HD1 LEU 17 10.440 -0.309 -11.109 111 HD21 LEU 17 1HD2 LEU 17 13.163 -0.667 -13.349 112 HD22 LEU 17 2HD2 LEU 17 13.518 -2.224 -12.599 113 HD23 LEU 17 3HD2 LEU 17 14.466 -0.800 -12.167 114 HA PRO 18 HA PRO 18 12.345 5.047 -9.040 115 HB2 PRO 18 1HB PRO 18 9.780 4.706 -8.219 116 HB3 PRO 18 2HB PRO 18 10.203 5.250 -9.846 117 HG2 PRO 18 1HG PRO 18 9.447 2.512 -8.902 118 HG3 PRO 18 2HG PRO 18 8.933 3.373 -10.365 119 HD2 PRO 18 1HD PRO 18 10.862 1.474 -10.394 120 HD3 PRO 18 2HD PRO 18 10.874 2.864 -11.498 121 H GLY 19 H GLY 19 11.726 5.631 -6.781 122 HA2 GLY 19 1HA GLY 19 12.595 3.494 -4.969 123 HA3 GLY 19 2HA GLY 19 12.615 5.216 -4.618 124 HA PRO 20 HA PRO 20 8.864 3.072 -2.710 125 HB2 PRO 20 1HB PRO 20 9.562 3.438 -0.112 126 HB3 PRO 20 2HB PRO 20 10.028 2.007 -1.039 127 HG2 PRO 20 1HG PRO 20 11.625 4.459 -0.409 128 HG3 PRO 20 2HG PRO 20 12.125 2.758 -0.372 129 HD2 PRO 20 1HD PRO 20 12.728 4.409 -2.432 130 HD3 PRO 20 2HD PRO 20 12.443 2.671 -2.653 131 H ALA 21 H ALA 21 7.201 4.438 -2.757 132 HA ALA 21 HA ALA 21 7.253 7.172 -2.702 133 HB1 ALA 21 1HB ALA 21 4.827 7.002 -1.955 134 HB2 ALA 21 2HB ALA 21 5.271 6.139 -3.428 135 HB3 ALA 21 3HB ALA 21 5.078 5.257 -1.913 136 HA PRO 22 HA PRO 22 8.434 7.872 1.568 137 HB2 PRO 22 1HB PRO 22 8.734 10.556 1.295 138 HB3 PRO 22 2HB PRO 22 9.952 9.394 0.757 139 HG2 PRO 22 1HG PRO 22 7.863 10.824 -0.840 140 HG3 PRO 22 2HG PRO 22 9.566 10.528 -1.236 141 HD2 PRO 22 1HD PRO 22 7.552 9.037 -2.261 142 HD3 PRO 22 2HD PRO 22 9.161 8.366 -1.925 143 H ASN 23 H ASN 23 7.731 9.790 3.124 144 HA ASN 23 HA ASN 23 5.957 10.309 4.503 145 HB2 ASN 23 1HB ASN 23 5.662 11.758 1.920 146 HB3 ASN 23 2HB ASN 23 4.324 11.863 3.061 147 HD21 ASN 23 1HD2 ASN 23 7.779 11.628 3.726 148 HD22 ASN 23 2HD2 ASN 23 7.909 13.151 4.531 149 H LEU 24 H LEU 24 5.569 7.742 3.636 150 HA LEU 24 HA LEU 24 2.957 7.422 2.480 151 HB2 LEU 24 1HB LEU 24 4.698 5.769 2.098 152 HB3 LEU 24 2HB LEU 24 4.789 5.443 3.828 153 HG LEU 24 HG LEU 24 2.407 4.637 3.690 154 HD11 LEU 24 1HD1 LEU 24 1.875 3.843 1.273 155 HD12 LEU 24 2HD1 LEU 24 2.946 5.162 0.800 156 HD13 LEU 24 3HD1 LEU 24 1.501 5.499 1.753 157 HD21 LEU 24 1HD2 LEU 24 4.643 3.263 2.227 158 HD22 LEU 24 2HD2 LEU 24 3.083 2.488 2.506 159 HD23 LEU 24 3HD2 LEU 24 4.076 2.992 3.875 160 H ARG 25 H ARG 25 1.357 8.258 3.721 161 HA ARG 25 HA ARG 25 1.214 7.413 6.534 162 HB2 ARG 25 1HB ARG 25 -0.610 9.496 5.428 163 HB3 ARG 25 2HB ARG 25 0.087 9.355 7.036 164 HG2 ARG 25 1HG ARG 25 1.767 10.018 4.642 165 HG3 ARG 25 2HG ARG 25 0.902 11.258 5.553 166 HD2 ARG 25 1HD ARG 25 2.828 9.300 6.791 167 HD3 ARG 25 2HD ARG 25 3.287 10.910 6.238 168 HE ARG 25 HE ARG 25 1.080 10.941 8.064 169 HH11 ARG 25 2HH1 ARG 25 4.550 10.827 7.807 170 HH12 ARG 25 1HH1 ARG 25 4.819 11.515 9.374 171 HH21 ARG 25 2HH2 ARG 25 1.421 11.849 10.129 172 HH22 ARG 25 1HH2 ARG 25 3.039 12.096 10.694 173 H ALA 26 H ALA 26 -0.929 6.877 7.387 174 HA ALA 26 HA ALA 26 -3.010 6.143 5.534 175 HB1 ALA 26 1HB ALA 26 -2.121 4.119 5.109 176 HB2 ALA 26 2HB ALA 26 -1.106 4.143 6.552 177 HB3 ALA 26 3HB ALA 26 -2.810 3.707 6.679 178 H TYR 27 H TYR 27 -4.905 6.422 6.513 179 HA TYR 27 HA TYR 27 -5.175 5.862 9.364 180 HB2 TYR 27 1HB TYR 27 -6.372 8.067 9.672 181 HB3 TYR 27 2HB TYR 27 -4.631 8.183 9.442 182 HD1 TYR 27 2HD TYR 27 -3.716 9.012 7.303 183 HD2 TYR 27 1HD TYR 27 -7.900 8.988 8.073 184 HE1 TYR 27 2HE TYR 27 -4.062 10.578 5.438 185 HE2 TYR 27 1HE TYR 27 -8.259 10.553 6.210 186 HH TYR 27 HH TYR 27 -6.051 12.403 4.913 187 H ALA 28 H ALA 28 -7.313 5.489 10.041 188 HA ALA 28 HA ALA 28 -9.067 4.604 7.908 189 HB1 ALA 28 1HB ALA 28 -9.723 3.076 9.378 190 HB2 ALA 28 2HB ALA 28 -8.536 3.729 10.508 191 HB3 ALA 28 3HB ALA 28 -10.198 4.317 10.537 192 H ALA 29 H ALA 29 -10.226 6.178 6.969 193 HA ALA 29 HA ALA 29 -11.109 8.525 8.302 194 HB1 ALA 29 1HB ALA 29 -11.987 9.192 6.272 195 HB2 ALA 29 2HB ALA 29 -10.698 8.095 5.774 196 HB3 ALA 29 3HB ALA 29 -12.373 7.543 5.778 197 H SER 30 H SER 30 -12.576 5.412 7.611 198 HA SER 30 HA SER 30 -14.779 6.100 9.408 199 HB2 SER 30 1HB SER 30 -15.022 5.447 6.523 200 HB3 SER 30 2HB SER 30 -16.180 4.672 7.604 201 HG SER 30 HG SER 30 -15.837 7.329 8.135 202 HA PRO 31 HA PRO 31 -14.329 2.036 10.992 203 HB2 PRO 31 1HB PRO 31 -16.892 1.271 11.453 204 HB3 PRO 31 2HB PRO 31 -16.064 2.491 12.427 205 HG2 PRO 31 1HG PRO 31 -18.002 2.860 10.175 206 HG3 PRO 31 2HG PRO 31 -17.911 3.718 11.724 207 HD2 PRO 31 1HD PRO 31 -16.950 4.766 9.420 208 HD3 PRO 31 2HD PRO 31 -16.216 5.103 11.002 209 H THR 32 H THR 32 -15.743 2.545 7.994 210 HA THR 32 HA THR 32 -15.655 -0.338 7.403 211 HB THR 32 HB THR 32 -17.483 0.010 5.744 212 HG1 THR 32 1HG THR 32 -17.628 2.554 7.021 213 HG21 THR 32 1HG2 THR 32 -19.294 -0.009 7.353 214 HG22 THR 32 2HG2 THR 32 -18.258 0.734 8.572 215 HG23 THR 32 3HG2 THR 32 -17.921 -0.901 8.005 216 H SER 33 H SER 33 -14.320 2.605 6.828 217 HA SER 33 HA SER 33 -13.299 1.732 4.216 218 HB2 SER 33 1HB SER 33 -15.071 3.567 4.034 219 HB3 SER 33 2HB SER 33 -13.899 4.630 4.812 220 HG SER 33 HG SER 33 -13.907 3.555 2.254 221 H ILE 34 H ILE 34 -11.340 3.191 3.607 222 HA ILE 34 HA ILE 34 -9.800 4.085 5.900 223 HB ILE 34 HB ILE 34 -8.992 1.713 4.232 224 HG12 ILE 34 1HG1 ILE 34 -9.001 2.148 7.226 225 HG13 ILE 34 2HG1 ILE 34 -10.298 1.360 6.334 226 HG21 ILE 34 1HG2 ILE 34 -7.270 3.585 5.828 227 HG22 ILE 34 2HG2 ILE 34 -6.793 1.919 5.502 228 HG23 ILE 34 3HG2 ILE 34 -7.056 3.039 4.165 229 HD11 ILE 34 1HD1 ILE 34 -7.474 0.407 6.698 230 HD12 ILE 34 2HD1 ILE 34 -8.960 -0.341 7.285 231 HD13 ILE 34 3HD1 ILE 34 -8.606 -0.317 5.557 232 H THR 35 H THR 35 -8.536 5.761 5.383 233 HA THR 35 HA THR 35 -8.214 6.398 2.531 234 HB THR 35 HB THR 35 -8.107 8.204 4.953 235 HG1 THR 35 1HG THR 35 -10.027 7.600 3.002 236 HG21 THR 35 1HG2 THR 35 -7.102 8.556 2.240 237 HG22 THR 35 2HG2 THR 35 -6.818 9.527 3.684 238 HG23 THR 35 3HG2 THR 35 -8.261 9.799 2.708 239 H VAL 36 H VAL 36 -6.276 6.115 1.665 240 HA VAL 36 HA VAL 36 -3.914 6.219 3.428 241 HB VAL 36 HB VAL 36 -4.233 4.645 0.868 242 HG11 VAL 36 1HG1 VAL 36 -2.045 3.820 2.511 243 HG12 VAL 36 2HG1 VAL 36 -2.025 4.415 0.850 244 HG13 VAL 36 3HG1 VAL 36 -1.918 5.551 2.196 245 HG21 VAL 36 1HG2 VAL 36 -5.449 3.358 2.301 246 HG22 VAL 36 2HG2 VAL 36 -3.837 2.760 2.695 247 HG23 VAL 36 3HG2 VAL 36 -4.611 3.960 3.731 248 H THR 37 H THR 37 -2.374 7.662 2.976 249 HA THR 37 HA THR 37 -2.385 8.942 0.323 250 HB THR 37 HB THR 37 -1.950 11.098 1.284 251 HG1 THR 37 1HG THR 37 -2.074 9.846 3.843 252 HG21 THR 37 1HG2 THR 37 -4.344 10.028 1.307 253 HG22 THR 37 2HG2 THR 37 -4.057 11.582 2.091 254 HG23 THR 37 3HG2 THR 37 -4.142 10.109 3.056 255 H TRP 38 H TRP 38 -0.464 9.025 -0.662 256 HA TRP 38 HA TRP 38 1.968 8.706 0.957 257 HB2 TRP 38 1HB TRP 38 2.892 7.207 -0.798 258 HB3 TRP 38 2HB TRP 38 1.492 6.521 0.023 259 HD1 TRP 38 HD TRP 38 2.567 7.961 -3.362 260 HE1 TRP 38 1HE TRP 38 0.842 7.252 -5.137 261 HE3 TRP 38 3HE TRP 38 -0.930 5.838 -0.295 262 HZ2 TRP 38 2HZ TRP 38 -1.668 5.964 -5.225 263 HZ3 TRP 38 3HZ TRP 38 -2.964 4.891 -1.304 264 HH2 TRP 38 HH TRP 38 -3.324 4.955 -3.718 265 H GLU 39 H GLU 39 3.967 9.253 -0.333 266 HA GLU 39 HA GLU 39 3.384 11.516 -2.128 267 HB2 GLU 39 1HB GLU 39 5.450 11.141 0.009 268 HB3 GLU 39 2HB GLU 39 5.778 12.223 -1.338 269 HG2 GLU 39 1HG GLU 39 3.259 12.491 0.247 270 HG3 GLU 39 2HG GLU 39 4.772 13.180 0.832 271 H THR 40 H THR 40 5.176 12.021 -3.671 272 HA THR 40 HA THR 40 5.961 9.577 -5.020 273 HB THR 40 HB THR 40 6.342 12.463 -5.842 274 HG1 THR 40 1HG THR 40 4.331 12.300 -6.451 275 HG21 THR 40 1HG2 THR 40 7.952 10.784 -6.829 276 HG22 THR 40 2HG2 THR 40 6.962 11.664 -7.995 277 HG23 THR 40 3HG2 THR 40 6.555 10.002 -7.568 278 HA PRO 41 HA PRO 41 10.074 9.531 -3.410 279 HB2 PRO 41 1HB PRO 41 11.169 7.851 -5.240 280 HB3 PRO 41 2HB PRO 41 10.089 7.299 -3.954 281 HG2 PRO 41 1HG PRO 41 9.477 7.861 -6.830 282 HG3 PRO 41 2HG PRO 41 8.939 6.510 -5.815 283 HD2 PRO 41 1HD PRO 41 7.363 8.645 -6.353 284 HD3 PRO 41 2HD PRO 41 7.275 7.756 -4.819 285 H VAL 42 H VAL 42 11.060 11.475 -3.684 286 HA VAL 42 HA VAL 42 11.447 13.022 -5.857 287 HB VAL 42 HB VAL 42 13.538 13.856 -4.858 288 HG11 VAL 42 1HG1 VAL 42 11.401 13.300 -2.803 289 HG12 VAL 42 2HG1 VAL 42 12.597 14.597 -2.749 290 HG13 VAL 42 3HG1 VAL 42 11.354 14.594 -4.000 291 HG21 VAL 42 1HG2 VAL 42 13.973 12.682 -2.512 292 HG22 VAL 42 2HG2 VAL 42 13.359 11.283 -3.393 293 HG23 VAL 42 3HG2 VAL 42 14.773 12.151 -3.991 294 H SER 43 H SER 43 13.207 10.083 -5.095 295 HA SER 43 HA SER 43 14.950 10.428 -7.410 296 HB2 SER 43 1HB SER 43 15.976 9.619 -5.341 297 HB3 SER 43 2HB SER 43 14.862 8.252 -5.305 298 HG SER 43 HG SER 43 15.944 8.132 -7.651 299 H GLY 44 H GLY 44 13.957 9.974 -9.283 300 HA2 GLY 44 1HA GLY 44 12.930 7.271 -9.650 301 HA3 GLY 44 2HA GLY 44 11.793 8.578 -9.942 302 H ASN 45 H ASN 45 14.394 6.746 -11.195 303 HA ASN 45 HA ASN 45 15.511 8.315 -13.142 304 HB2 ASN 45 1HB ASN 45 15.707 6.174 -14.491 305 HB3 ASN 45 2HB ASN 45 16.341 6.103 -12.850 306 HD21 ASN 45 1HD2 ASN 45 14.267 4.709 -15.096 307 HD22 ASN 45 2HD2 ASN 45 13.455 3.608 -14.041 308 H GLY 46 H GLY 46 12.432 6.560 -13.309 309 HA2 GLY 46 1HA GLY 46 11.806 8.097 -15.755 310 HA3 GLY 46 2HA GLY 46 11.219 6.467 -15.458 311 H GLU 47 H GLU 47 9.650 8.812 -16.055 312 HA GLU 47 HA GLU 47 8.443 9.818 -13.687 313 HB2 GLU 47 1HB GLU 47 7.756 9.876 -16.600 314 HB3 GLU 47 2HB GLU 47 6.557 10.384 -15.419 315 HG2 GLU 47 1HG GLU 47 9.316 11.534 -15.387 316 HG3 GLU 47 2HG GLU 47 8.088 12.152 -16.491 317 H ILE 48 H ILE 48 7.096 8.816 -12.360 318 HA ILE 48 HA ILE 48 6.220 6.223 -12.566 319 HB ILE 48 HB ILE 48 4.816 8.475 -11.124 320 HG12 ILE 48 1HG1 ILE 48 7.155 8.236 -10.446 321 HG13 ILE 48 2HG1 ILE 48 6.082 7.690 -9.161 322 HG21 ILE 48 1HG2 ILE 48 4.512 6.009 -9.789 323 HG22 ILE 48 2HG2 ILE 48 3.267 6.994 -10.556 324 HG23 ILE 48 3HG2 ILE 48 4.093 5.739 -11.480 325 HD11 ILE 48 1HD1 ILE 48 7.807 6.118 -9.238 326 HD12 ILE 48 2HD1 ILE 48 6.456 5.347 -10.069 327 HD13 ILE 48 3HD1 ILE 48 7.780 6.046 -11.000 328 H GLN 49 H GLN 49 4.911 5.254 -13.955 329 HA GLN 49 HA GLN 49 3.141 6.742 -15.652 330 HB2 GLN 49 1HB GLN 49 3.632 3.781 -15.326 331 HB3 GLN 49 2HB GLN 49 2.519 4.456 -16.509 332 HG2 GLN 49 1HG GLN 49 5.458 5.085 -16.374 333 HG3 GLN 49 2HG GLN 49 4.732 3.882 -17.439 334 HE21 GLN 49 1HE2 GLN 49 6.209 5.899 -18.494 335 HE22 GLN 49 2HE2 GLN 49 5.188 7.005 -19.342 336 H ASN 50 H ASN 50 2.716 4.358 -13.053 337 HA ASN 50 HA ASN 50 0.160 5.534 -12.379 338 HB2 ASN 50 1HB ASN 50 -1.228 3.765 -12.876 339 HB3 ASN 50 2HB ASN 50 -0.076 3.629 -14.201 340 HD21 ASN 50 1HD2 ASN 50 -1.790 1.644 -12.791 341 HD22 ASN 50 2HD2 ASN 50 -0.708 0.387 -12.309 342 H TYR 51 H TYR 51 -0.621 4.883 -10.314 343 HA TYR 51 HA TYR 51 1.489 3.737 -8.619 344 HB2 TYR 51 1HB TYR 51 -0.795 5.612 -8.016 345 HB3 TYR 51 2HB TYR 51 0.135 4.820 -6.749 346 HD1 TYR 51 1HD TYR 51 2.754 5.118 -6.961 347 HD2 TYR 51 2HD TYR 51 -0.123 7.704 -8.730 348 HE1 TYR 51 1HE TYR 51 4.440 6.905 -7.075 349 HE2 TYR 51 2HE TYR 51 1.555 9.499 -8.851 350 HH TYR 51 HH TYR 51 3.854 9.876 -8.790 351 H LYS 52 H LYS 52 1.192 1.853 -7.618 352 HA LYS 52 HA LYS 52 -1.469 0.613 -7.776 353 HB2 LYS 52 1HB LYS 52 0.778 -0.408 -8.753 354 HB3 LYS 52 2HB LYS 52 0.971 -0.963 -7.095 355 HG2 LYS 52 1HG LYS 52 -0.894 -2.334 -7.199 356 HG3 LYS 52 2HG LYS 52 -1.580 -1.463 -8.574 357 HD2 LYS 52 1HD LYS 52 0.591 -2.290 -9.787 358 HD3 LYS 52 2HD LYS 52 0.596 -3.507 -8.508 359 HE2 LYS 52 1HE LYS 52 -0.652 -4.596 -10.082 360 HE3 LYS 52 2HE LYS 52 -1.933 -3.755 -9.209 361 HZ1 LYS 52 1HZ LYS 52 -1.931 -2.038 -10.881 362 HZ2 LYS 52 2HZ LYS 52 -2.151 -3.542 -11.623 363 HZ3 LYS 52 3HZ LYS 52 -0.646 -2.774 -11.699 364 H LEU 53 H LEU 53 -2.587 0.236 -5.974 365 HA LEU 53 HA LEU 53 -1.162 0.383 -3.398 366 HB2 LEU 53 1HB LEU 53 -2.488 2.306 -3.477 367 HB3 LEU 53 2HB LEU 53 -3.832 1.456 -4.235 368 HG LEU 53 HG LEU 53 -4.198 0.256 -2.079 369 HD11 LEU 53 1HD1 LEU 53 -1.750 0.867 -1.367 370 HD12 LEU 53 2HD1 LEU 53 -3.030 0.719 -0.164 371 HD13 LEU 53 3HD1 LEU 53 -2.526 2.314 -0.723 372 HD21 LEU 53 1HD2 LEU 53 -4.794 2.955 -2.772 373 HD22 LEU 53 2HD2 LEU 53 -4.563 2.854 -1.026 374 HD23 LEU 53 3HD2 LEU 53 -5.750 1.818 -1.821 375 H TYR 54 H TYR 54 -1.124 -1.496 -2.377 376 HA TYR 54 HA TYR 54 -3.148 -3.514 -2.999 377 HB2 TYR 54 1HB TYR 54 -0.476 -3.677 -1.601 378 HB3 TYR 54 2HB TYR 54 -1.591 -5.034 -1.709 379 HD1 TYR 54 2HD TYR 54 0.011 -2.517 -3.967 380 HD2 TYR 54 1HD TYR 54 -1.252 -6.543 -3.418 381 HE1 TYR 54 2HE TYR 54 0.950 -3.105 -6.163 382 HE2 TYR 54 1HE TYR 54 -0.315 -7.142 -5.611 383 HH TYR 54 HH TYR 54 0.220 -5.405 -7.920 384 H TYR 55 H TYR 55 -4.164 -4.730 -1.299 385 HA TYR 55 HA TYR 55 -4.077 -3.707 1.400 386 HB2 TYR 55 1HB TYR 55 -6.379 -3.028 1.540 387 HB3 TYR 55 2HB TYR 55 -5.637 -2.156 0.204 388 HD1 TYR 55 1HD TYR 55 -6.023 -3.053 -2.159 389 HD2 TYR 55 2HD TYR 55 -8.314 -4.302 1.201 390 HE1 TYR 55 1HE TYR 55 -7.790 -3.855 -3.670 391 HE2 TYR 55 2HE TYR 55 -10.087 -5.109 -0.300 392 HH TYR 55 HH TYR 55 -10.788 -5.276 -2.399 393 H MET 56 H MET 56 -4.679 -5.216 2.872 394 HA MET 56 HA MET 56 -6.336 -7.462 2.134 395 HB2 MET 56 1HB MET 56 -4.788 -9.153 2.183 396 HB3 MET 56 2HB MET 56 -3.804 -7.870 1.491 397 HG2 MET 56 1HG MET 56 -3.198 -7.391 3.984 398 HG3 MET 56 2HG MET 56 -3.732 -9.053 4.222 399 HE1 MET 56 1HE MET 56 -1.407 -11.201 3.618 400 HE2 MET 56 2HE MET 56 -0.452 -10.080 4.588 401 HE3 MET 56 3HE MET 56 -2.185 -10.242 4.877 402 H GLU 57 H GLU 57 -6.873 -8.824 3.970 403 HA GLU 57 HA GLU 57 -6.978 -7.269 6.416 404 HB2 GLU 57 1HB GLU 57 -9.043 -8.256 5.862 405 HB3 GLU 57 2HB GLU 57 -8.300 -9.805 5.486 406 HG2 GLU 57 1HG GLU 57 -8.035 -10.363 7.728 407 HG3 GLU 57 2HG GLU 57 -8.224 -8.695 8.263 408 H LYS 58 H LYS 58 -5.879 -7.667 8.245 409 HA LYS 58 HA LYS 58 -3.553 -9.205 8.240 410 HB2 LYS 58 1HB LYS 58 -4.458 -7.290 9.849 411 HB3 LYS 58 2HB LYS 58 -4.923 -8.671 10.834 412 HG2 LYS 58 1HG LYS 58 -2.846 -8.263 11.672 413 HG3 LYS 58 2HG LYS 58 -2.436 -9.405 10.390 414 HD2 LYS 58 1HD LYS 58 -0.935 -7.462 10.402 415 HD3 LYS 58 2HD LYS 58 -1.864 -7.565 8.905 416 HE2 LYS 58 1HE LYS 58 -3.029 -5.961 11.105 417 HE3 LYS 58 2HE LYS 58 -1.600 -5.302 10.310 418 HZ1 LYS 58 1HZ LYS 58 -4.163 -5.069 9.432 419 HZ2 LYS 58 2HZ LYS 58 -3.541 -6.301 8.454 420 HZ3 LYS 58 3HZ LYS 58 -2.774 -4.794 8.506 421 H GLY 59 H GLY 59 -3.854 -11.327 7.647 422 HA2 GLY 59 1HA GLY 59 -3.877 -13.490 8.842 423 HA3 GLY 59 2HA GLY 59 -5.393 -12.970 9.563 424 H THR 60 H THR 60 -4.435 -12.586 6.190 425 HA THR 60 HA THR 60 -6.538 -14.512 5.445 426 HB THR 60 HB THR 60 -5.929 -12.220 3.634 427 HG1 THR 60 1HG THR 60 -6.577 -10.849 5.104 428 HG21 THR 60 1HG2 THR 60 -7.901 -14.303 3.884 429 HG22 THR 60 2HG2 THR 60 -7.610 -13.197 2.542 430 HG23 THR 60 3HG2 THR 60 -8.679 -12.721 3.861 431 H ASP 61 H ASP 61 -3.449 -13.041 4.650 432 HA ASP 61 HA ASP 61 -1.658 -13.843 3.489 433 HB2 ASP 61 1HB ASP 61 -2.480 -16.054 4.562 434 HB3 ASP 61 2HB ASP 61 -3.128 -16.413 2.964 435 H LYS 62 H LYS 62 -4.051 -12.562 2.260 436 HA LYS 62 HA LYS 62 -3.288 -13.036 -0.502 437 HB2 LYS 62 1HB LYS 62 -5.951 -13.736 0.629 438 HB3 LYS 62 2HB LYS 62 -5.918 -12.979 -0.958 439 HG2 LYS 62 1HG LYS 62 -4.140 -15.309 -0.431 440 HG3 LYS 62 2HG LYS 62 -5.862 -15.578 -0.713 441 HD2 LYS 62 1HD LYS 62 -4.164 -13.928 -2.568 442 HD3 LYS 62 2HD LYS 62 -4.331 -15.676 -2.746 443 HE2 LYS 62 1HE LYS 62 -6.599 -13.686 -2.746 444 HE3 LYS 62 2HE LYS 62 -5.900 -14.439 -4.179 445 HZ1 LYS 62 1HZ LYS 62 -7.947 -15.416 -2.584 446 HZ2 LYS 62 2HZ LYS 62 -6.619 -16.427 -2.311 447 HZ3 LYS 62 3HZ LYS 62 -7.195 -16.193 -3.885 448 H GLU 63 H GLU 63 -2.743 -11.050 -1.118 449 HA GLU 63 HA GLU 63 -4.371 -8.782 -0.203 450 HB2 GLU 63 1HB GLU 63 -2.504 -7.385 -0.525 451 HB3 GLU 63 2HB GLU 63 -1.852 -8.849 0.199 452 HG2 GLU 63 1HG GLU 63 -1.884 -8.458 -2.769 453 HG3 GLU 63 2HG GLU 63 -0.594 -7.801 -1.763 454 H GLN 64 H GLN 64 -4.818 -7.056 -1.740 455 HA GLN 64 HA GLN 64 -5.145 -8.089 -4.480 456 HB2 GLN 64 1HB GLN 64 -6.894 -6.176 -2.927 457 HB3 GLN 64 2HB GLN 64 -7.107 -6.552 -4.632 458 HG2 GLN 64 1HG GLN 64 -7.064 -8.765 -2.637 459 HG3 GLN 64 2HG GLN 64 -8.514 -7.780 -2.819 460 HE21 GLN 64 1HE2 GLN 64 -9.711 -9.499 -3.614 461 HE22 GLN 64 2HE2 GLN 64 -9.474 -10.134 -5.203 462 H ASP 65 H ASP 65 -5.763 -5.937 -5.897 463 HA ASP 65 HA ASP 65 -3.828 -3.826 -5.325 464 HB2 ASP 65 1HB ASP 65 -2.649 -4.017 -7.358 465 HB3 ASP 65 2HB ASP 65 -2.763 -5.668 -6.753 466 H VAL 66 H VAL 66 -4.589 -1.871 -5.842 467 HA VAL 66 HA VAL 66 -6.898 -1.723 -7.670 468 HB VAL 66 HB VAL 66 -7.556 0.329 -6.295 469 HG11 VAL 66 1HG1 VAL 66 -9.072 -0.946 -5.210 470 HG12 VAL 66 2HG1 VAL 66 -8.368 -2.234 -6.190 471 HG13 VAL 66 3HG1 VAL 66 -7.846 -2.009 -4.520 472 HG21 VAL 66 1HG2 VAL 66 -5.174 -0.064 -5.054 473 HG22 VAL 66 2HG2 VAL 66 -6.519 0.845 -4.366 474 HG23 VAL 66 3HG2 VAL 66 -6.281 -0.846 -3.925 475 H ASP 67 H ASP 67 -6.612 -0.470 -9.388 476 HA ASP 67 HA ASP 67 -4.200 1.016 -9.751 477 HB2 ASP 67 1HB ASP 67 -4.857 1.276 -11.960 478 HB3 ASP 67 2HB ASP 67 -5.699 -0.205 -11.512 479 H VAL 68 H VAL 68 -3.819 2.978 -8.989 480 HA VAL 68 HA VAL 68 -6.074 4.863 -8.754 481 HB VAL 68 HB VAL 68 -3.698 4.635 -6.901 482 HG11 VAL 68 1HG1 VAL 68 -4.432 6.513 -5.770 483 HG12 VAL 68 2HG1 VAL 68 -4.729 6.956 -7.452 484 HG13 VAL 68 3HG1 VAL 68 -6.061 6.405 -6.435 485 HG21 VAL 68 1HG2 VAL 68 -5.390 4.044 -5.207 486 HG22 VAL 68 2HG2 VAL 68 -6.623 4.034 -6.468 487 HG23 VAL 68 3HG2 VAL 68 -5.305 2.864 -6.515 488 H SER 69 H SER 69 -5.766 6.914 -9.484 489 HA SER 69 HA SER 69 -3.346 7.376 -11.048 490 HB2 SER 69 1HB SER 69 -6.004 8.814 -10.940 491 HB3 SER 69 2HB SER 69 -4.645 9.352 -11.927 492 HG SER 69 HG SER 69 -5.943 6.832 -12.101 493 H SER 70 H SER 70 -5.164 8.783 -8.374 494 HA SER 70 HA SER 70 -3.193 10.904 -8.052 495 HB2 SER 70 1HB SER 70 -4.704 11.928 -6.569 496 HB3 SER 70 2HB SER 70 -5.749 11.183 -7.779 497 HG SER 70 HG SER 70 -6.608 10.088 -6.220 498 H HIS 71 H HIS 71 -2.382 11.338 -5.806 499 HA HIS 71 HA HIS 71 -1.202 8.908 -4.766 500 HB2 HIS 71 1HB HIS 71 -0.815 11.742 -3.792 501 HB3 HIS 71 2HB HIS 71 0.222 10.357 -3.466 502 HD1 HIS 71 1HD HIS 71 -0.814 12.615 -6.317 503 HD2 HIS 71 2HD HIS 71 2.187 9.919 -5.324 504 HE1 HIS 71 1HE HIS 71 0.901 12.815 -8.145 505 HE2 HIS 71 2HE HIS 71 2.666 11.113 -7.568 506 H SER 72 H SER 72 -4.100 9.517 -4.390 507 HA SER 72 HA SER 72 -4.220 8.821 -1.588 508 HB2 SER 72 1HB SER 72 -5.844 10.621 -1.031 509 HB3 SER 72 2HB SER 72 -4.240 11.246 -1.411 510 HG SER 72 HG SER 72 -6.028 11.014 -3.526 511 H TYR 73 H TYR 73 -5.528 7.129 -1.560 512 HA TYR 73 HA TYR 73 -7.938 7.182 -3.253 513 HB2 TYR 73 1HB TYR 73 -6.249 5.608 -4.144 514 HB3 TYR 73 2HB TYR 73 -6.253 4.754 -2.605 515 HD1 TYR 73 2HD TYR 73 -8.393 5.666 -5.497 516 HD2 TYR 73 1HD TYR 73 -7.845 3.080 -2.163 517 HE1 TYR 73 2HE TYR 73 -10.247 4.259 -6.291 518 HE2 TYR 73 1HE TYR 73 -9.697 1.665 -2.949 519 HH TYR 73 HH TYR 73 -11.957 2.516 -4.912 520 H THR 74 H THR 74 -9.753 5.971 -2.446 521 HA THR 74 HA THR 74 -9.691 5.606 0.479 522 HB THR 74 HB THR 74 -12.076 6.520 -1.137 523 HG1 THR 74 1HG THR 74 -11.485 8.484 0.319 524 HG21 THR 74 1HG2 THR 74 -12.566 5.286 0.963 525 HG22 THR 74 2HG2 THR 74 -13.100 6.966 1.004 526 HG23 THR 74 3HG2 THR 74 -11.628 6.487 1.848 527 H ILE 75 H ILE 75 -9.955 3.555 1.038 528 HA ILE 75 HA ILE 75 -11.325 1.730 -0.797 529 HB ILE 75 HB ILE 75 -9.626 1.137 1.629 530 HG12 ILE 75 1HG1 ILE 75 -8.949 0.463 -1.219 531 HG13 ILE 75 2HG1 ILE 75 -8.592 2.062 -0.574 532 HG21 ILE 75 1HG2 ILE 75 -11.024 -0.674 -0.323 533 HG22 ILE 75 2HG2 ILE 75 -9.701 -1.211 0.710 534 HG23 ILE 75 3HG2 ILE 75 -11.198 -0.622 1.431 535 HD11 ILE 75 1HD1 ILE 75 -7.503 0.567 1.351 536 HD12 ILE 75 2HD1 ILE 75 -7.327 -0.539 -0.012 537 HD13 ILE 75 3HD1 ILE 75 -6.627 1.078 -0.091 538 H ASN 76 H ASN 76 -13.430 1.480 -0.463 539 HA ASN 76 HA ASN 76 -14.471 1.641 2.278 540 HB2 ASN 76 1HB ASN 76 -16.054 1.700 -0.297 541 HB3 ASN 76 2HB ASN 76 -16.624 2.115 1.317 542 HD21 ASN 76 1HD2 ASN 76 -14.536 3.093 -1.316 543 HD22 ASN 76 2HD2 ASN 76 -14.453 4.764 -0.882 544 H GLY 77 H GLY 77 -16.561 0.221 2.515 545 HA2 GLY 77 1HA GLY 77 -17.525 -1.872 2.565 546 HA3 GLY 77 2HA GLY 77 -16.598 -2.276 1.128 547 H LEU 78 H LEU 78 -15.584 -1.344 4.409 548 HA LEU 78 HA LEU 78 -14.087 -3.879 4.547 549 HB2 LEU 78 1HB LEU 78 -13.380 -1.260 5.859 550 HB3 LEU 78 2HB LEU 78 -12.435 -2.746 5.908 551 HG LEU 78 HG LEU 78 -12.974 -1.119 3.424 552 HD11 LEU 78 1HD1 LEU 78 -10.338 -1.370 4.826 553 HD12 LEU 78 2HD1 LEU 78 -11.490 -0.108 5.262 554 HD13 LEU 78 3HD1 LEU 78 -10.850 -0.189 3.620 555 HD21 LEU 78 1HD2 LEU 78 -12.623 -3.365 2.788 556 HD22 LEU 78 2HD2 LEU 78 -11.333 -3.580 3.970 557 HD23 LEU 78 3HD2 LEU 78 -11.075 -2.552 2.560 558 H LYS 79 H LYS 79 -13.639 -4.604 6.812 559 HA LYS 79 HA LYS 79 -16.114 -4.599 8.301 560 HB2 LYS 79 1HB LYS 79 -13.519 -6.089 8.505 561 HB3 LYS 79 2HB LYS 79 -14.654 -6.114 9.848 562 HG2 LYS 79 1HG LYS 79 -15.609 -6.786 7.104 563 HG3 LYS 79 2HG LYS 79 -14.715 -7.984 8.042 564 HD2 LYS 79 1HD LYS 79 -17.094 -6.530 9.165 565 HD3 LYS 79 2HD LYS 79 -17.262 -8.016 8.226 566 HE2 LYS 79 1HE LYS 79 -16.220 -9.304 9.834 567 HE3 LYS 79 2HE LYS 79 -15.356 -7.931 10.523 568 HZ1 LYS 79 1HZ LYS 79 -16.972 -8.339 12.088 569 HZ2 LYS 79 2HZ LYS 79 -18.145 -8.767 10.948 570 HZ3 LYS 79 3HZ LYS 79 -17.719 -7.143 11.154 571 H LYS 80 H LYS 80 -16.323 -4.027 10.510 572 HA LYS 80 HA LYS 80 -14.814 -1.674 11.219 573 HB2 LYS 80 1HB LYS 80 -16.988 -3.106 12.757 574 HB3 LYS 80 2HB LYS 80 -16.365 -1.497 13.099 575 HG2 LYS 80 1HG LYS 80 -18.231 -0.929 11.943 576 HG3 LYS 80 2HG LYS 80 -17.102 -1.075 10.594 577 HD2 LYS 80 1HD LYS 80 -17.960 -3.143 9.942 578 HD3 LYS 80 2HD LYS 80 -18.712 -3.432 11.513 579 HE2 LYS 80 1HE LYS 80 -20.522 -2.112 11.042 580 HE3 LYS 80 2HE LYS 80 -19.620 -1.084 9.930 581 HZ1 LYS 80 1HZ LYS 80 -21.213 -3.358 9.363 582 HZ2 LYS 80 2HZ LYS 80 -19.638 -3.598 8.795 583 HZ3 LYS 80 3HZ LYS 80 -20.522 -2.246 8.291 584 H TYR 81 H TYR 81 -13.448 -1.411 12.959 585 HA TYR 81 HA TYR 81 -11.792 -2.004 14.404 586 HB2 TYR 81 1HB TYR 81 -14.055 -2.688 15.588 587 HB3 TYR 81 2HB TYR 81 -13.417 -4.315 15.378 588 HD1 TYR 81 2HD TYR 81 -11.917 -1.030 16.361 589 HD2 TYR 81 1HD TYR 81 -12.513 -5.129 17.331 590 HE1 TYR 81 2HE TYR 81 -10.542 -0.746 18.381 591 HE2 TYR 81 1HE TYR 81 -11.141 -4.857 19.354 592 HH TYR 81 HH TYR 81 -10.437 -2.038 20.731 593 H THR 82 H THR 82 -11.150 -2.889 12.007 594 HA THR 82 HA THR 82 -9.894 -5.477 12.553 595 HB THR 82 HB THR 82 -11.335 -4.855 9.967 596 HG1 THR 82 1HG THR 82 -12.910 -5.526 11.293 597 HG21 THR 82 1HG2 THR 82 -9.120 -6.422 10.276 598 HG22 THR 82 2HG2 THR 82 -10.341 -6.639 9.021 599 HG23 THR 82 3HG2 THR 82 -10.421 -7.590 10.504 600 H GLU 83 H GLU 83 -7.789 -5.430 12.112 601 HA GLU 83 HA GLU 83 -6.581 -3.108 10.978 602 HB2 GLU 83 1HB GLU 83 -5.688 -4.882 12.738 603 HB3 GLU 83 2HB GLU 83 -5.051 -5.649 11.290 604 HG2 GLU 83 1HG GLU 83 -3.639 -3.873 10.813 605 HG3 GLU 83 2HG GLU 83 -4.551 -2.751 11.822 606 H TYR 84 H TYR 84 -5.430 -2.901 9.050 607 HA TYR 84 HA TYR 84 -5.617 -5.068 7.100 608 HB2 TYR 84 1HB TYR 84 -6.890 -2.363 6.824 609 HB3 TYR 84 2HB TYR 84 -6.351 -3.244 5.399 610 HD1 TYR 84 2HD TYR 84 -7.421 -5.372 4.777 611 HD2 TYR 84 1HD TYR 84 -8.834 -3.055 8.054 612 HE1 TYR 84 2HE TYR 84 -9.525 -6.645 4.763 613 HE2 TYR 84 1HE TYR 84 -10.941 -4.322 8.049 614 HH TYR 84 HH TYR 84 -12.186 -5.822 6.948 615 H SER 85 H SER 85 -3.819 -5.252 5.924 616 HA SER 85 HA SER 85 -1.679 -3.354 6.337 617 HB2 SER 85 1HB SER 85 -1.570 -5.984 6.157 618 HB3 SER 85 2HB SER 85 -1.455 -5.651 4.429 619 HG SER 85 HG SER 85 0.609 -5.610 5.102 620 H PHE 86 H PHE 86 -0.604 -2.187 4.727 621 HA PHE 86 HA PHE 86 -1.824 -2.081 2.074 622 HB2 PHE 86 1HB PHE 86 -1.526 0.305 3.906 623 HB3 PHE 86 2HB PHE 86 -1.864 0.424 2.182 624 HD1 PHE 86 2HD PHE 86 -3.962 -0.838 1.337 625 HD2 PHE 86 1HD PHE 86 -3.269 0.178 5.412 626 HE1 PHE 86 2HE PHE 86 -6.370 -1.046 1.795 627 HE2 PHE 86 1HE PHE 86 -5.677 -0.030 5.877 628 HZ PHE 86 HZ PHE 86 -7.231 -0.641 4.067 629 H ARG 87 H ARG 87 -0.432 -1.496 0.449 630 HA ARG 87 HA ARG 87 2.197 -0.449 1.091 631 HB2 ARG 87 1HB ARG 87 3.381 -2.277 -0.062 632 HB3 ARG 87 2HB ARG 87 2.539 -2.840 1.376 633 HG2 ARG 87 1HG ARG 87 0.779 -3.785 0.037 634 HG3 ARG 87 2HG ARG 87 1.485 -3.106 -1.431 635 HD2 ARG 87 1HD ARG 87 3.596 -4.464 -0.659 636 HD3 ARG 87 2HD ARG 87 2.402 -5.400 0.239 637 HE ARG 87 HE ARG 87 1.368 -5.301 -2.261 638 HH11 ARG 87 2HH1 ARG 87 4.468 -6.231 -0.979 639 HH12 ARG 87 1HH1 ARG 87 4.780 -7.395 -2.224 640 HH21 ARG 87 2HH2 ARG 87 1.767 -6.831 -3.906 641 HH22 ARG 87 1HH2 ARG 87 3.243 -7.734 -3.889 642 H VAL 88 H VAL 88 2.838 0.924 -0.442 643 HA VAL 88 HA VAL 88 1.372 0.938 -2.984 644 HB VAL 88 HB VAL 88 3.079 3.108 -1.754 645 HG11 VAL 88 1HG1 VAL 88 2.799 2.961 -4.314 646 HG12 VAL 88 2HG1 VAL 88 1.136 3.466 -4.006 647 HG13 VAL 88 3HG1 VAL 88 2.479 4.501 -3.516 648 HG21 VAL 88 1HG2 VAL 88 0.156 3.426 -2.079 649 HG22 VAL 88 2HG2 VAL 88 0.700 2.340 -0.800 650 HG23 VAL 88 3HG2 VAL 88 1.230 4.022 -0.812 651 H VAL 89 H VAL 89 2.375 0.756 -4.928 652 HA VAL 89 HA VAL 89 5.298 0.369 -4.900 653 HB VAL 89 HB VAL 89 3.238 -1.135 -6.517 654 HG11 VAL 89 1HG1 VAL 89 5.311 -0.524 -7.794 655 HG12 VAL 89 2HG1 VAL 89 6.229 -1.475 -6.624 656 HG13 VAL 89 3HG1 VAL 89 5.013 -2.255 -7.637 657 HG21 VAL 89 1HG2 VAL 89 3.578 -2.915 -5.159 658 HG22 VAL 89 2HG2 VAL 89 5.268 -2.508 -4.862 659 HG23 VAL 89 3HG2 VAL 89 3.990 -1.653 -3.998 660 H ALA 90 H ALA 90 6.455 1.490 -6.354 661 HA ALA 90 HA ALA 90 5.054 3.388 -8.045 662 HB1 ALA 90 1HB ALA 90 6.966 4.111 -6.675 663 HB2 ALA 90 2HB ALA 90 8.017 3.040 -7.603 664 HB3 ALA 90 3HB ALA 90 7.224 4.402 -8.395 665 H TYR 91 H TYR 91 4.750 3.178 -10.167 666 HA TYR 91 HA TYR 91 6.220 1.046 -11.573 667 HB2 TYR 91 1HB TYR 91 3.367 1.944 -11.738 668 HB3 TYR 91 2HB TYR 91 4.129 1.222 -13.150 669 HD1 TYR 91 2HD TYR 91 3.125 0.619 -9.650 670 HD2 TYR 91 1HD TYR 91 4.542 -1.123 -13.264 671 HE1 TYR 91 2HE TYR 91 2.660 -1.621 -8.746 672 HE2 TYR 91 1HE TYR 91 4.080 -3.367 -12.371 673 HH TYR 91 HH TYR 91 2.152 -3.949 -9.771 674 H ASN 92 H ASN 92 7.558 1.708 -13.107 675 HA ASN 92 HA ASN 92 7.100 4.350 -14.329 676 HB2 ASN 92 1HB ASN 92 9.557 2.984 -13.370 677 HB3 ASN 92 2HB ASN 92 9.704 3.932 -14.847 678 HD21 ASN 92 1HD2 ASN 92 11.014 4.521 -12.441 679 HD22 ASN 92 2HD2 ASN 92 10.417 6.033 -11.856 680 H LYS 93 H LYS 93 7.953 4.577 -16.560 681 HA LYS 93 HA LYS 93 6.767 2.995 -18.391 682 HB2 LYS 93 1HB LYS 93 8.372 3.798 -20.050 683 HB3 LYS 93 2HB LYS 93 7.906 5.092 -18.953 684 HG2 LYS 93 1HG LYS 93 9.973 5.040 -17.840 685 HG3 LYS 93 2HG LYS 93 10.406 3.482 -18.548 686 HD2 LYS 93 1HD LYS 93 11.647 4.880 -19.870 687 HD3 LYS 93 2HD LYS 93 10.150 4.826 -20.804 688 HE2 LYS 93 1HE LYS 93 10.817 7.107 -20.661 689 HE3 LYS 93 2HE LYS 93 9.429 6.898 -19.595 690 HZ1 LYS 93 1HZ LYS 93 12.136 7.631 -18.957 691 HZ2 LYS 93 2HZ LYS 93 11.523 6.411 -17.959 692 HZ3 LYS 93 3HZ LYS 93 10.711 7.890 -18.083 693 H HIS 94 H HIS 94 9.874 2.382 -16.859 694 HA HIS 94 HA HIS 94 10.573 0.156 -18.489 695 HB2 HIS 94 1HB HIS 94 11.562 0.560 -15.678 696 HB3 HIS 94 2HB HIS 94 12.410 -0.142 -17.052 697 HD1 HIS 94 1HD HIS 94 13.294 1.558 -18.871 698 HD2 HIS 94 2HD HIS 94 11.834 3.286 -15.386 699 HE1 HIS 94 1HE HIS 94 14.129 3.931 -18.896 700 HE2 HIS 94 2HE HIS 94 13.305 4.931 -16.737 701 H GLY 95 H GLY 95 9.718 0.193 -15.021 702 HA2 GLY 95 1HA GLY 95 7.693 -1.753 -15.212 703 HA3 GLY 95 2HA GLY 95 9.211 -2.558 -14.844 704 HA PRO 96 HA PRO 96 7.160 -1.184 -10.883 705 HB2 PRO 96 1HB PRO 96 7.237 -3.622 -9.691 706 HB3 PRO 96 2HB PRO 96 5.899 -3.098 -10.721 707 HG2 PRO 96 1HG PRO 96 8.233 -4.849 -11.391 708 HG3 PRO 96 2HG PRO 96 6.526 -5.044 -11.829 709 HD2 PRO 96 1HD PRO 96 8.367 -4.053 -13.550 710 HD3 PRO 96 2HD PRO 96 6.668 -3.536 -13.566 711 H GLY 97 H GLY 97 8.413 -0.365 -9.321 712 HA2 GLY 97 1HA GLY 97 11.207 -1.168 -9.191 713 HA3 GLY 97 2HA GLY 97 10.479 0.214 -8.386 714 H VAL 98 H VAL 98 10.440 0.066 -6.254 715 HA VAL 98 HA VAL 98 10.647 -2.567 -5.003 716 HB VAL 98 HB VAL 98 11.149 -1.329 -2.930 717 HG11 VAL 98 1HG1 VAL 98 13.225 -0.051 -4.079 718 HG12 VAL 98 2HG1 VAL 98 13.159 -1.799 -3.842 719 HG13 VAL 98 3HG1 VAL 98 12.731 -1.102 -5.406 720 HG21 VAL 98 1HG2 VAL 98 10.438 0.769 -2.736 721 HG22 VAL 98 2HG2 VAL 98 11.715 1.247 -3.855 722 HG23 VAL 98 3HG2 VAL 98 10.102 0.873 -4.464 723 H SER 99 H SER 99 9.530 -2.416 -2.644 724 HA SER 99 HA SER 99 6.749 -1.545 -3.054 725 HB2 SER 99 1HB SER 99 6.866 -3.966 -3.421 726 HB3 SER 99 2HB SER 99 7.646 -4.178 -1.854 727 HG SER 99 HG SER 99 5.538 -2.891 -1.239 728 H THR 100 H THR 100 6.399 0.014 -1.621 729 HA THR 100 HA THR 100 7.823 0.703 0.592 730 HB THR 100 HB THR 100 5.518 1.542 1.515 731 HG1 THR 100 1HG THR 100 4.740 0.078 -0.568 732 HG21 THR 100 1HG2 THR 100 6.421 3.407 0.693 733 HG22 THR 100 2HG2 THR 100 5.681 3.031 -0.863 734 HG23 THR 100 3HG2 THR 100 7.321 2.488 -0.512 735 HA PRO 101 HA PRO 101 7.184 -2.221 3.803 736 HB2 PRO 101 1HB PRO 101 7.085 -0.628 5.999 737 HB3 PRO 101 2HB PRO 101 8.577 -0.938 5.104 738 HG2 PRO 101 1HG PRO 101 6.744 1.425 4.968 739 HG3 PRO 101 2HG PRO 101 8.517 1.384 4.998 740 HD2 PRO 101 1HD PRO 101 7.105 1.729 2.713 741 HD3 PRO 101 2HD PRO 101 8.668 0.888 2.752 742 H ASP 102 H ASP 102 5.456 -3.327 4.465 743 HA ASP 102 HA ASP 102 2.858 -2.750 4.075 744 HB2 ASP 102 1HB ASP 102 3.664 -4.152 6.614 745 HB3 ASP 102 2HB ASP 102 2.282 -4.477 5.571 746 H VAL 103 H VAL 103 1.301 -1.489 4.906 747 HA VAL 103 HA VAL 103 1.929 0.021 7.360 748 HB VAL 103 HB VAL 103 0.431 0.954 4.910 749 HG11 VAL 103 1HG1 VAL 103 0.709 3.144 6.518 750 HG12 VAL 103 2HG1 VAL 103 -0.764 2.186 6.351 751 HG13 VAL 103 3HG1 VAL 103 0.347 1.873 7.685 752 HG21 VAL 103 1HG2 VAL 103 3.149 1.025 5.563 753 HG22 VAL 103 2HG2 VAL 103 2.337 1.904 4.268 754 HG23 VAL 103 3HG2 VAL 103 2.551 2.659 5.847 755 H ALA 104 H ALA 104 0.844 -1.669 8.548 756 HA ALA 104 HA ALA 104 -1.910 -2.266 8.089 757 HB1 ALA 104 1HB ALA 104 -0.027 -2.827 10.362 758 HB2 ALA 104 2HB ALA 104 -1.730 -3.285 10.416 759 HB3 ALA 104 3HB ALA 104 -0.678 -3.950 9.167 760 H VAL 105 H VAL 105 -3.723 -1.490 9.093 761 HA VAL 105 HA VAL 105 -3.472 0.512 11.191 762 HB VAL 105 HB VAL 105 -3.360 1.749 9.009 763 HG11 VAL 105 1HG1 VAL 105 -6.141 0.628 8.728 764 HG12 VAL 105 2HG1 VAL 105 -5.547 2.010 7.806 765 HG13 VAL 105 3HG1 VAL 105 -4.780 0.432 7.624 766 HG21 VAL 105 1HG2 VAL 105 -5.693 2.252 10.850 767 HG22 VAL 105 2HG2 VAL 105 -4.065 2.919 10.976 768 HG23 VAL 105 3HG2 VAL 105 -5.117 3.407 9.647 769 H ARG 106 H ARG 106 -5.278 0.694 12.477 770 HA ARG 106 HA ARG 106 -7.301 -1.376 12.079 771 HB2 ARG 106 1HB ARG 106 -5.973 -0.959 14.273 772 HB3 ARG 106 2HB ARG 106 -7.096 0.373 14.509 773 HG2 ARG 106 1HG ARG 106 -8.950 -1.334 14.206 774 HG3 ARG 106 2HG ARG 106 -7.694 -2.562 14.369 775 HD2 ARG 106 1HD ARG 106 -8.229 -0.393 16.393 776 HD3 ARG 106 2HD ARG 106 -8.885 -2.026 16.492 777 HE ARG 106 HE ARG 106 -6.166 -1.202 17.025 778 HH11 ARG 106 2HH1 ARG 106 -8.319 -3.846 16.320 779 HH12 ARG 106 1HH1 ARG 106 -7.267 -5.051 16.983 780 HH21 ARG 106 2HH2 ARG 106 -4.772 -2.780 17.901 781 HH22 ARG 106 1HH2 ARG 106 -5.249 -4.444 17.883 782 H THR 107 H THR 107 -9.346 -0.954 11.533 783 HA THR 107 HA THR 107 -10.101 1.728 10.840 784 HB THR 107 HB THR 107 -12.287 0.681 10.200 785 HG1 THR 107 1HG THR 107 -12.160 -1.713 10.173 786 HG21 THR 107 1HG2 THR 107 -11.336 0.354 8.211 787 HG22 THR 107 2HG2 THR 107 -10.568 -1.127 8.783 788 HG23 THR 107 3HG2 THR 107 -9.757 0.425 8.992 789 H LEU 108 H LEU 108 -12.168 2.692 11.545 790 HA LEU 108 HA LEU 108 -12.277 2.907 14.361 791 HB2 LEU 108 1HB LEU 108 -14.386 3.779 12.396 792 HB3 LEU 108 2HB LEU 108 -14.116 4.407 14.021 793 HG LEU 108 HG LEU 108 -12.176 4.720 11.732 794 HD11 LEU 108 1HD1 LEU 108 -13.603 7.070 12.754 795 HD12 LEU 108 2HD1 LEU 108 -14.603 5.923 11.864 796 HD13 LEU 108 3HD1 LEU 108 -13.176 6.625 11.101 797 HD21 LEU 108 1HD2 LEU 108 -10.772 5.647 13.191 798 HD22 LEU 108 2HD2 LEU 108 -11.779 4.950 14.460 799 HD23 LEU 108 3HD2 LEU 108 -12.052 6.610 13.928 800 H SER 109 H SER 109 -13.640 2.050 15.857 801 HA SER 109 HA SER 109 -15.118 -0.314 15.063 802 HB2 SER 109 1HB SER 109 -15.329 -0.754 17.445 803 HB3 SER 109 2HB SER 109 -13.660 -0.315 17.082 804 HG SER 109 HG SER 109 -15.645 1.165 18.411 805 H ASP 110 H ASP 110 -17.233 -0.387 14.718 806 HA ASP 110 HA ASP 110 -18.839 1.981 15.081 807 HB2 ASP 110 1HB ASP 110 -20.575 0.764 13.912 808 HB3 ASP 110 2HB ASP 110 -19.045 0.527 13.072 809 H SER 111 H SER 111 -17.955 1.070 17.536 810 HA SER 111 HA SER 111 -20.502 0.374 18.800 811 HB2 SER 111 1HB SER 111 -19.545 -1.321 20.189 812 HB3 SER 111 2HB SER 111 -19.070 -1.699 18.534 813 HG SER 111 HG SER 111 -17.514 -1.193 20.662 814 H GLY 112 H GLY 112 -20.261 0.604 21.279 815 HA2 GLY 112 1HA GLY 112 -19.282 1.743 23.121 816 HA3 GLY 112 2HA GLY 112 -18.354 2.717 21.990 817 HA PRO 113 HA PRO 113 -22.869 4.495 22.047 818 HB2 PRO 113 1HB PRO 113 -24.437 3.657 24.099 819 HB3 PRO 113 2HB PRO 113 -24.393 2.845 22.529 820 HG2 PRO 113 1HG PRO 113 -22.999 2.119 25.077 821 HG3 PRO 113 2HG PRO 113 -23.837 1.067 23.922 822 HD2 PRO 113 1HD PRO 113 -21.141 1.317 23.975 823 HD3 PRO 113 2HD PRO 113 -22.042 1.015 22.476 824 H SER 114 H SER 114 -20.591 4.166 24.463 825 HA SER 114 HA SER 114 -21.681 6.169 26.253 826 HB2 SER 114 1HB SER 114 -19.634 5.826 27.554 827 HB3 SER 114 2HB SER 114 -20.375 4.276 27.156 828 HG SER 114 HG SER 114 -17.990 4.595 26.811 829 H SER 115 H SER 115 -21.827 8.006 24.950 830 HA SER 115 HA SER 115 -21.092 9.774 23.661 831 HB2 SER 115 1HB SER 115 -19.092 9.760 25.935 832 HB3 SER 115 2HB SER 115 -19.431 11.139 24.888 833 HG SER 115 HG SER 115 -20.864 11.553 26.384 834 H GLY 116 H GLY 116 -20.145 7.421 22.532 835 HA2 GLY 116 1HA GLY 116 -18.404 6.500 21.303 836 HA3 GLY 116 2HA GLY 116 -18.348 8.140 20.673 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -0.885 -26.238 5.083 2 HA2 GLY 1 1HA GLY 1 -0.846 -26.912 7.650 3 HA3 GLY 1 2HA GLY 1 0.439 -27.946 7.043 4 H SER 2 H SER 2 2.392 -27.044 6.406 5 HA SER 2 HA SER 2 2.734 -24.161 6.562 6 HB2 SER 2 1HB SER 2 3.829 -26.089 8.568 7 HB3 SER 2 2HB SER 2 4.813 -24.700 8.107 8 HG SER 2 HG SER 2 2.837 -24.751 9.835 9 H SER 3 H SER 3 4.004 -23.550 4.950 10 HA SER 3 HA SER 3 5.580 -25.532 3.530 11 HB2 SER 3 1HB SER 3 4.125 -23.848 2.350 12 HB3 SER 3 2HB SER 3 5.252 -22.597 2.876 13 HG SER 3 HG SER 3 5.694 -23.412 0.755 14 H GLY 4 H GLY 4 6.160 -22.320 4.971 15 HA2 GLY 4 1HA GLY 4 8.013 -21.709 6.275 16 HA3 GLY 4 2HA GLY 4 8.811 -23.201 5.801 17 H SER 5 H SER 5 9.135 -20.012 5.608 18 HA SER 5 HA SER 5 9.536 -19.303 2.975 19 HB2 SER 5 1HB SER 5 11.068 -18.470 5.445 20 HB3 SER 5 2HB SER 5 11.264 -17.697 3.872 21 HG SER 5 HG SER 5 8.776 -17.937 5.211 22 H SER 6 H SER 6 11.222 -19.425 1.522 23 HA SER 6 HA SER 6 12.994 -21.687 1.878 24 HB2 SER 6 1HB SER 6 12.265 -19.906 -0.425 25 HB3 SER 6 2HB SER 6 13.705 -20.920 -0.521 26 HG SER 6 HG SER 6 12.004 -22.092 -1.336 27 H GLY 7 H GLY 7 13.671 -19.794 3.707 28 HA2 GLY 7 1HA GLY 7 15.680 -18.963 4.523 29 HA3 GLY 7 2HA GLY 7 16.395 -19.217 2.938 30 H ARG 8 H ARG 8 17.396 -17.216 2.858 31 HA ARG 8 HA ARG 8 15.891 -15.098 1.772 32 HB2 ARG 8 1HB ARG 8 16.394 -13.440 3.652 33 HB3 ARG 8 2HB ARG 8 15.068 -14.566 3.910 34 HG2 ARG 8 1HG ARG 8 16.164 -15.702 5.551 35 HG3 ARG 8 2HG ARG 8 17.759 -15.348 4.883 36 HD2 ARG 8 1HD ARG 8 17.071 -12.874 5.532 37 HD3 ARG 8 2HD ARG 8 16.040 -13.723 6.683 38 HE ARG 8 HE ARG 8 18.910 -13.502 6.754 39 HH11 ARG 8 2HH1 ARG 8 16.137 -15.328 7.802 40 HH12 ARG 8 1HH1 ARG 8 16.939 -16.003 9.181 41 HH21 ARG 8 2HH2 ARG 8 19.977 -14.384 8.567 42 HH22 ARG 8 1HH2 ARG 8 19.123 -15.464 9.617 43 H VAL 9 H VAL 9 17.301 -14.398 0.319 44 HA VAL 9 HA VAL 9 20.137 -14.179 1.088 45 HB VAL 9 HB VAL 9 20.540 -14.181 -1.425 46 HG11 VAL 9 1HG1 VAL 9 20.562 -16.577 -1.549 47 HG12 VAL 9 2HG1 VAL 9 20.956 -16.102 0.104 48 HG13 VAL 9 3HG1 VAL 9 19.342 -16.700 -0.282 49 HG21 VAL 9 1HG2 VAL 9 18.864 -14.411 -2.882 50 HG22 VAL 9 2HG2 VAL 9 18.111 -15.697 -1.940 51 HG23 VAL 9 3HG2 VAL 9 17.790 -14.010 -1.542 52 H GLU 10 H GLU 10 21.226 -12.289 0.774 53 HA GLU 10 HA GLU 10 19.591 -9.975 -0.013 54 HB2 GLU 10 1HB GLU 10 21.441 -8.678 1.187 55 HB3 GLU 10 2HB GLU 10 20.350 -9.631 2.183 56 HG2 GLU 10 1HG GLU 10 22.893 -10.865 1.257 57 HG3 GLU 10 2HG GLU 10 22.940 -9.687 2.568 58 H THR 11 H THR 11 20.124 -10.829 -2.259 59 HA THR 11 HA THR 11 22.427 -9.333 -3.248 60 HB THR 11 HB THR 11 23.145 -11.176 -4.717 61 HG1 THR 11 1HG THR 11 20.946 -12.250 -4.403 62 HG21 THR 11 1HG2 THR 11 23.130 -12.113 -1.852 63 HG22 THR 11 2HG2 THR 11 24.142 -10.789 -2.428 64 HG23 THR 11 3HG2 THR 11 24.355 -12.412 -3.084 65 H GLN 12 H GLN 12 21.586 -7.975 -4.681 66 HA GLN 12 HA GLN 12 19.820 -9.018 -6.758 67 HB2 GLN 12 1HB GLN 12 19.138 -6.770 -4.879 68 HB3 GLN 12 2HB GLN 12 18.413 -6.883 -6.477 69 HG2 GLN 12 1HG GLN 12 18.306 -9.199 -4.591 70 HG3 GLN 12 2HG GLN 12 17.162 -7.865 -4.451 71 HE21 GLN 12 1HE2 GLN 12 16.153 -7.249 -6.628 72 HE22 GLN 12 2HE2 GLN 12 15.592 -8.568 -7.593 73 HA PRO 13 HA PRO 13 22.452 -6.543 -9.284 74 HB2 PRO 13 1HB PRO 13 20.921 -6.497 -11.525 75 HB3 PRO 13 2HB PRO 13 21.829 -7.924 -11.011 76 HG2 PRO 13 1HG PRO 13 18.926 -7.292 -10.642 77 HG3 PRO 13 2HG PRO 13 19.686 -8.822 -11.115 78 HD2 PRO 13 1HD PRO 13 18.833 -8.338 -8.591 79 HD3 PRO 13 2HD PRO 13 20.238 -9.364 -8.944 80 H GLU 14 H GLU 14 22.045 -4.664 -10.990 81 HA GLU 14 HA GLU 14 20.432 -2.649 -9.581 82 HB2 GLU 14 1HB GLU 14 22.873 -2.416 -11.335 83 HB3 GLU 14 2HB GLU 14 21.890 -1.024 -10.903 84 HG2 GLU 14 1HG GLU 14 22.280 -1.880 -8.465 85 HG3 GLU 14 2HG GLU 14 23.660 -2.697 -9.194 86 H VAL 15 H VAL 15 18.638 -1.940 -10.512 87 HA VAL 15 HA VAL 15 18.449 -1.901 -13.437 88 HB VAL 15 HB VAL 15 16.314 -3.050 -11.635 89 HG11 VAL 15 1HG1 VAL 15 14.850 -2.844 -13.302 90 HG12 VAL 15 2HG1 VAL 15 16.008 -1.749 -14.060 91 HG13 VAL 15 3HG1 VAL 15 16.002 -3.461 -14.487 92 HG21 VAL 15 1HG2 VAL 15 18.569 -4.307 -12.550 93 HG22 VAL 15 2HG2 VAL 15 17.064 -5.109 -12.101 94 HG23 VAL 15 3HG2 VAL 15 17.381 -4.710 -13.789 95 H GLN 16 H GLN 16 17.370 -0.178 -14.257 96 HA GLN 16 HA GLN 16 16.917 2.068 -12.621 97 HB2 GLN 16 1HB GLN 16 16.014 1.502 -15.449 98 HB3 GLN 16 2HB GLN 16 15.909 3.073 -14.666 99 HG2 GLN 16 1HG GLN 16 18.197 3.386 -14.689 100 HG3 GLN 16 2HG GLN 16 18.533 1.663 -14.845 101 HE21 GLN 16 1HE2 GLN 16 19.015 0.922 -16.789 102 HE22 GLN 16 2HE2 GLN 16 18.740 1.746 -18.282 103 H LEU 17 H LEU 17 15.393 1.988 -11.078 104 HA LEU 17 HA LEU 17 12.623 1.637 -11.939 105 HB2 LEU 17 1HB LEU 17 13.941 0.131 -9.693 106 HB3 LEU 17 2HB LEU 17 12.193 0.312 -9.831 107 HG LEU 17 HG LEU 17 13.835 -0.930 -12.020 108 HD11 LEU 17 1HD1 LEU 17 12.550 -2.976 -10.647 109 HD12 LEU 17 2HD1 LEU 17 13.301 -1.993 -9.391 110 HD13 LEU 17 3HD1 LEU 17 14.284 -2.655 -10.697 111 HD21 LEU 17 1HD2 LEU 17 11.025 -1.637 -11.358 112 HD22 LEU 17 2HD2 LEU 17 11.844 -1.592 -12.920 113 HD23 LEU 17 3HD2 LEU 17 11.335 -0.090 -12.147 114 HA PRO 18 HA PRO 18 11.828 5.090 -9.349 115 HB2 PRO 18 1HB PRO 18 9.289 4.579 -8.536 116 HB3 PRO 18 2HB PRO 18 9.688 5.078 -10.184 117 HG2 PRO 18 1HG PRO 18 9.146 2.335 -9.114 118 HG3 PRO 18 2HG PRO 18 8.582 3.080 -10.622 119 HD2 PRO 18 1HD PRO 18 10.661 1.346 -10.541 120 HD3 PRO 18 2HD PRO 18 10.573 2.678 -11.711 121 H GLY 19 H GLY 19 11.863 5.759 -7.219 122 HA2 GLY 19 1HA GLY 19 12.594 3.755 -5.280 123 HA3 GLY 19 2HA GLY 19 12.553 5.493 -5.023 124 HA PRO 20 HA PRO 20 8.936 3.309 -2.908 125 HB2 PRO 20 1HB PRO 20 9.686 3.828 -0.350 126 HB3 PRO 20 2HB PRO 20 10.181 2.371 -1.220 127 HG2 PRO 20 1HG PRO 20 11.701 4.907 -0.753 128 HG3 PRO 20 2HG PRO 20 12.265 3.229 -0.646 129 HD2 PRO 20 1HD PRO 20 12.754 4.796 -2.800 130 HD3 PRO 20 2HD PRO 20 12.528 3.040 -2.928 131 H ALA 21 H ALA 21 7.172 4.534 -2.751 132 HA ALA 21 HA ALA 21 7.164 7.316 -2.869 133 HB1 ALA 21 1HB ALA 21 4.901 5.723 -1.704 134 HB2 ALA 21 2HB ALA 21 4.830 7.209 -2.652 135 HB3 ALA 21 3HB ALA 21 5.283 5.690 -3.426 136 HA PRO 22 HA PRO 22 8.300 8.114 1.397 137 HB2 PRO 22 1HB PRO 22 8.532 10.801 1.082 138 HB3 PRO 22 2HB PRO 22 9.784 9.662 0.572 139 HG2 PRO 22 1HG PRO 22 7.671 11.010 -1.064 140 HG3 PRO 22 2HG PRO 22 9.384 10.752 -1.442 141 HD2 PRO 22 1HD PRO 22 7.418 9.192 -2.457 142 HD3 PRO 22 2HD PRO 22 9.041 8.569 -2.098 143 H ASN 23 H ASN 23 7.523 9.956 2.959 144 HA ASN 23 HA ASN 23 5.735 10.492 4.298 145 HB2 ASN 23 1HB ASN 23 4.788 11.709 1.694 146 HB3 ASN 23 2HB ASN 23 4.308 12.205 3.314 147 HD21 ASN 23 1HD2 ASN 23 6.450 12.495 4.734 148 HD22 ASN 23 2HD2 ASN 23 7.585 13.587 4.024 149 H LEU 24 H LEU 24 5.413 7.908 3.639 150 HA LEU 24 HA LEU 24 2.782 7.490 2.492 151 HB2 LEU 24 1HB LEU 24 4.544 5.912 1.972 152 HB3 LEU 24 2HB LEU 24 4.781 5.575 3.686 153 HG LEU 24 HG LEU 24 2.440 4.654 3.723 154 HD11 LEU 24 1HD1 LEU 24 1.583 3.925 1.477 155 HD12 LEU 24 2HD1 LEU 24 2.747 5.034 0.754 156 HD13 LEU 24 3HD1 LEU 24 1.473 5.655 1.803 157 HD21 LEU 24 1HD2 LEU 24 3.083 2.524 2.739 158 HD22 LEU 24 2HD2 LEU 24 4.429 3.226 3.638 159 HD23 LEU 24 3HD2 LEU 24 4.407 3.306 1.875 160 H ARG 25 H ARG 25 1.221 8.242 3.835 161 HA ARG 25 HA ARG 25 1.230 7.262 6.611 162 HB2 ARG 25 1HB ARG 25 -0.452 9.534 5.573 163 HB3 ARG 25 2HB ARG 25 -0.054 9.147 7.241 164 HG2 ARG 25 1HG ARG 25 2.181 9.791 5.400 165 HG3 ARG 25 2HG ARG 25 1.134 11.109 5.931 166 HD2 ARG 25 1HD ARG 25 2.766 11.114 7.562 167 HD3 ARG 25 2HD ARG 25 1.523 10.104 8.298 168 HE ARG 25 HE ARG 25 2.911 8.270 8.085 169 HH11 ARG 25 2HH1 ARG 25 4.260 11.009 6.413 170 HH12 ARG 25 1HH1 ARG 25 5.810 10.270 6.182 171 HH21 ARG 25 2HH2 ARG 25 4.947 7.286 7.788 172 HH22 ARG 25 1HH2 ARG 25 6.199 8.152 6.964 173 H ALA 26 H ALA 26 -0.949 6.823 7.534 174 HA ALA 26 HA ALA 26 -3.066 6.158 5.688 175 HB1 ALA 26 1HB ALA 26 -1.365 4.228 5.685 176 HB2 ALA 26 2HB ALA 26 -1.988 3.871 7.296 177 HB3 ALA 26 3HB ALA 26 -3.071 3.841 5.905 178 H TYR 27 H TYR 27 -4.955 6.498 6.660 179 HA TYR 27 HA TYR 27 -5.224 6.016 9.529 180 HB2 TYR 27 1HB TYR 27 -6.362 8.227 9.812 181 HB3 TYR 27 2HB TYR 27 -4.640 8.349 9.469 182 HD1 TYR 27 2HD TYR 27 -3.868 9.124 7.260 183 HD2 TYR 27 1HD TYR 27 -8.000 9.064 8.272 184 HE1 TYR 27 2HE TYR 27 -4.347 10.619 5.367 185 HE2 TYR 27 1HE TYR 27 -8.491 10.558 6.381 186 HH TYR 27 HH TYR 27 -5.927 12.005 4.469 187 H ALA 28 H ALA 28 -7.227 5.347 10.140 188 HA ALA 28 HA ALA 28 -9.039 4.549 8.058 189 HB1 ALA 28 1HB ALA 28 -9.948 3.144 9.582 190 HB2 ALA 28 2HB ALA 28 -8.423 3.449 10.416 191 HB3 ALA 28 3HB ALA 28 -9.876 4.332 10.885 192 H ALA 29 H ALA 29 -10.270 6.073 7.141 193 HA ALA 29 HA ALA 29 -11.159 8.419 8.480 194 HB1 ALA 29 1HB ALA 29 -12.303 8.957 6.461 195 HB2 ALA 29 2HB ALA 29 -10.769 8.209 6.015 196 HB3 ALA 29 3HB ALA 29 -12.264 7.279 5.921 197 H SER 30 H SER 30 -12.632 5.304 7.748 198 HA SER 30 HA SER 30 -14.744 5.893 9.675 199 HB2 SER 30 1HB SER 30 -15.151 5.459 6.763 200 HB3 SER 30 2HB SER 30 -16.276 4.649 7.853 201 HG SER 30 HG SER 30 -16.950 6.581 8.614 202 HA PRO 31 HA PRO 31 -14.281 1.709 10.906 203 HB2 PRO 31 1HB PRO 31 -16.829 0.959 11.471 204 HB3 PRO 31 2HB PRO 31 -15.912 2.082 12.482 205 HG2 PRO 31 1HG PRO 31 -17.978 2.666 10.396 206 HG3 PRO 31 2HG PRO 31 -17.768 3.396 11.998 207 HD2 PRO 31 1HD PRO 31 -16.929 4.606 9.726 208 HD3 PRO 31 2HD PRO 31 -16.090 4.801 11.278 209 H THR 32 H THR 32 -15.657 2.475 8.006 210 HA THR 32 HA THR 32 -15.818 -0.359 7.229 211 HB THR 32 HB THR 32 -17.663 0.117 5.711 212 HG1 THR 32 1HG THR 32 -18.359 2.113 5.356 213 HG21 THR 32 1HG2 THR 32 -19.218 1.139 7.733 214 HG22 THR 32 2HG2 THR 32 -17.856 0.440 8.608 215 HG23 THR 32 3HG2 THR 32 -18.809 -0.562 7.515 216 H SER 33 H SER 33 -14.260 2.500 6.839 217 HA SER 33 HA SER 33 -13.210 1.677 4.240 218 HB2 SER 33 1HB SER 33 -13.500 3.770 3.193 219 HB3 SER 33 2HB SER 33 -15.045 3.468 3.989 220 HG SER 33 HG SER 33 -13.552 4.697 5.753 221 H ILE 34 H ILE 34 -11.241 3.065 3.669 222 HA ILE 34 HA ILE 34 -9.826 4.102 5.995 223 HB ILE 34 HB ILE 34 -8.798 1.783 4.361 224 HG12 ILE 34 1HG1 ILE 34 -9.115 2.007 7.354 225 HG13 ILE 34 2HG1 ILE 34 -10.379 1.366 6.311 226 HG21 ILE 34 1HG2 ILE 34 -6.879 3.029 4.598 227 HG22 ILE 34 2HG2 ILE 34 -7.397 3.733 6.129 228 HG23 ILE 34 3HG2 ILE 34 -6.842 2.060 6.071 229 HD11 ILE 34 1HD1 ILE 34 -8.826 -0.291 7.463 230 HD12 ILE 34 2HD1 ILE 34 -9.112 -0.504 5.735 231 HD13 ILE 34 3HD1 ILE 34 -7.610 0.229 6.297 232 H THR 35 H THR 35 -8.492 5.746 5.498 233 HA THR 35 HA THR 35 -8.162 6.387 2.648 234 HB THR 35 HB THR 35 -8.033 8.183 5.077 235 HG1 THR 35 1HG THR 35 -9.914 9.085 4.080 236 HG21 THR 35 1HG2 THR 35 -8.097 9.905 3.038 237 HG22 THR 35 2HG2 THR 35 -7.219 8.592 2.253 238 HG23 THR 35 3HG2 THR 35 -6.586 9.318 3.731 239 H VAL 36 H VAL 36 -6.195 6.486 1.745 240 HA VAL 36 HA VAL 36 -3.845 6.387 3.522 241 HB VAL 36 HB VAL 36 -4.118 4.939 0.884 242 HG11 VAL 36 1HG1 VAL 36 -1.833 5.737 1.533 243 HG12 VAL 36 2HG1 VAL 36 -1.947 4.703 2.958 244 HG13 VAL 36 3HG1 VAL 36 -1.982 3.990 1.345 245 HG21 VAL 36 1HG2 VAL 36 -3.711 3.065 2.874 246 HG22 VAL 36 2HG2 VAL 36 -4.871 4.187 3.586 247 HG23 VAL 36 3HG2 VAL 36 -5.235 3.398 2.051 248 H THR 37 H THR 37 -2.317 7.860 3.135 249 HA THR 37 HA THR 37 -2.391 9.303 0.565 250 HB THR 37 HB THR 37 -1.648 11.333 1.763 251 HG1 THR 37 1HG THR 37 -0.985 9.806 3.665 252 HG21 THR 37 1HG2 THR 37 -3.771 11.987 2.213 253 HG22 THR 37 2HG2 THR 37 -4.090 10.602 3.258 254 HG23 THR 37 3HG2 THR 37 -4.169 10.422 1.506 255 H TRP 38 H TRP 38 -0.510 9.512 -0.501 256 HA TRP 38 HA TRP 38 2.002 9.014 0.921 257 HB2 TRP 38 1HB TRP 38 2.779 7.498 -0.851 258 HB3 TRP 38 2HB TRP 38 1.349 6.860 -0.044 259 HD1 TRP 38 HD TRP 38 2.453 8.413 -3.380 260 HE1 TRP 38 1HE TRP 38 0.702 7.821 -5.171 261 HE3 TRP 38 3HE TRP 38 -1.061 6.217 -0.386 262 HZ2 TRP 38 2HZ TRP 38 -1.833 6.587 -5.298 263 HZ3 TRP 38 3HZ TRP 38 -3.121 5.357 -1.421 264 HH2 TRP 38 HH TRP 38 -3.498 5.540 -3.826 265 H GLU 39 H GLU 39 3.920 9.553 -0.483 266 HA GLU 39 HA GLU 39 3.263 11.837 -2.225 267 HB2 GLU 39 1HB GLU 39 5.420 11.448 -0.184 268 HB3 GLU 39 2HB GLU 39 5.695 12.530 -1.542 269 HG2 GLU 39 1HG GLU 39 3.230 12.824 0.110 270 HG3 GLU 39 2HG GLU 39 4.767 13.455 0.698 271 H THR 40 H THR 40 4.991 12.343 -3.842 272 HA THR 40 HA THR 40 5.694 9.905 -5.242 273 HB THR 40 HB THR 40 5.818 12.820 -5.986 274 HG1 THR 40 1HG THR 40 4.454 11.812 -7.736 275 HG21 THR 40 1HG2 THR 40 7.826 11.687 -6.883 276 HG22 THR 40 2HG2 THR 40 6.712 12.196 -8.152 277 HG23 THR 40 3HG2 THR 40 6.780 10.502 -7.666 278 HA PRO 41 HA PRO 41 9.859 9.817 -3.751 279 HB2 PRO 41 1HB PRO 41 10.836 8.035 -5.551 280 HB3 PRO 41 2HB PRO 41 9.799 7.564 -4.199 281 HG2 PRO 41 1HG PRO 41 9.079 8.021 -7.069 282 HG3 PRO 41 2HG PRO 41 8.553 6.727 -5.976 283 HD2 PRO 41 1HD PRO 41 7.006 8.876 -6.539 284 HD3 PRO 41 2HD PRO 41 6.962 8.055 -4.966 285 H VAL 42 H VAL 42 11.110 11.547 -4.103 286 HA VAL 42 HA VAL 42 11.377 12.995 -6.448 287 HB VAL 42 HB VAL 42 13.329 14.035 -5.484 288 HG11 VAL 42 1HG1 VAL 42 11.083 13.379 -3.617 289 HG12 VAL 42 2HG1 VAL 42 12.416 14.410 -3.093 290 HG13 VAL 42 3HG1 VAL 42 11.422 14.885 -4.470 291 HG21 VAL 42 1HG2 VAL 42 14.414 13.180 -3.481 292 HG22 VAL 42 2HG2 VAL 42 13.328 11.790 -3.467 293 HG23 VAL 42 3HG2 VAL 42 14.488 11.990 -4.781 294 H SER 43 H SER 43 13.257 10.242 -5.295 295 HA SER 43 HA SER 43 14.998 10.349 -7.625 296 HB2 SER 43 1HB SER 43 16.249 8.572 -6.567 297 HB3 SER 43 2HB SER 43 15.894 9.799 -5.351 298 HG SER 43 HG SER 43 14.160 8.477 -4.648 299 H GLY 44 H GLY 44 14.303 9.504 -9.470 300 HA2 GLY 44 1HA GLY 44 13.411 6.794 -9.621 301 HA3 GLY 44 2HA GLY 44 12.086 7.919 -9.872 302 H ASN 45 H ASN 45 12.887 6.116 -11.829 303 HA ASN 45 HA ASN 45 14.386 7.731 -13.764 304 HB2 ASN 45 1HB ASN 45 13.644 4.804 -13.707 305 HB3 ASN 45 2HB ASN 45 14.362 5.583 -15.114 306 HD21 ASN 45 1HD2 ASN 45 16.506 6.083 -15.114 307 HD22 ASN 45 2HD2 ASN 45 17.596 5.605 -13.861 308 H GLY 46 H GLY 46 13.298 8.892 -15.201 309 HA2 GLY 46 1HA GLY 46 11.693 9.513 -16.727 310 HA3 GLY 46 2HA GLY 46 11.101 7.859 -16.682 311 H GLU 47 H GLU 47 8.952 8.678 -16.796 312 HA GLU 47 HA GLU 47 8.013 10.068 -14.386 313 HB2 GLU 47 1HB GLU 47 6.156 10.818 -15.617 314 HB3 GLU 47 2HB GLU 47 7.510 10.955 -16.730 315 HG2 GLU 47 1HG GLU 47 5.809 8.500 -16.722 316 HG3 GLU 47 2HG GLU 47 5.274 9.958 -17.555 317 H ILE 48 H ILE 48 6.156 9.320 -13.270 318 HA ILE 48 HA ILE 48 6.017 6.454 -13.096 319 HB ILE 48 HB ILE 48 4.359 8.524 -11.652 320 HG12 ILE 48 1HG1 ILE 48 6.853 8.690 -11.318 321 HG13 ILE 48 2HG1 ILE 48 5.930 8.379 -9.852 322 HG21 ILE 48 1HG2 ILE 48 3.337 6.318 -11.634 323 HG22 ILE 48 2HG2 ILE 48 4.845 5.607 -11.061 324 HG23 ILE 48 3HG2 ILE 48 3.951 6.727 -10.032 325 HD11 ILE 48 1HD1 ILE 48 6.548 6.054 -9.910 326 HD12 ILE 48 2HD1 ILE 48 7.373 6.281 -11.453 327 HD13 ILE 48 3HD1 ILE 48 7.996 7.057 -9.997 328 H GLN 49 H GLN 49 4.847 5.296 -14.472 329 HA GLN 49 HA GLN 49 2.837 6.299 -16.144 330 HB2 GLN 49 1HB GLN 49 3.661 3.536 -15.318 331 HB3 GLN 49 2HB GLN 49 2.227 3.770 -16.309 332 HG2 GLN 49 1HG GLN 49 3.892 5.208 -17.762 333 HG3 GLN 49 2HG GLN 49 5.089 4.177 -16.979 334 HE21 GLN 49 1HE2 GLN 49 3.482 4.485 -19.714 335 HE22 GLN 49 2HE2 GLN 49 3.266 2.832 -20.167 336 H ASN 50 H ASN 50 2.531 4.267 -13.230 337 HA ASN 50 HA ASN 50 0.081 5.601 -12.503 338 HB2 ASN 50 1HB ASN 50 -0.572 3.809 -14.186 339 HB3 ASN 50 2HB ASN 50 -0.055 2.625 -12.989 340 HD21 ASN 50 1HD2 ASN 50 -1.496 1.962 -11.562 341 HD22 ASN 50 2HD2 ASN 50 -3.006 2.730 -11.221 342 H TYR 51 H TYR 51 -0.805 4.706 -10.428 343 HA TYR 51 HA TYR 51 1.409 3.713 -8.758 344 HB2 TYR 51 1HB TYR 51 -0.826 5.640 -8.181 345 HB3 TYR 51 2HB TYR 51 0.008 4.802 -6.876 346 HD1 TYR 51 1HD TYR 51 2.745 4.855 -7.374 347 HD2 TYR 51 2HD TYR 51 -0.119 7.808 -8.461 348 HE1 TYR 51 1HE TYR 51 4.522 6.555 -7.414 349 HE2 TYR 51 2HE TYR 51 1.650 9.516 -8.506 350 HH TYR 51 HH TYR 51 3.880 9.881 -7.530 351 H LYS 52 H LYS 52 1.170 1.791 -7.837 352 HA LYS 52 HA LYS 52 -1.467 0.517 -7.908 353 HB2 LYS 52 1HB LYS 52 0.752 -0.510 -8.843 354 HB3 LYS 52 2HB LYS 52 1.060 -0.909 -7.158 355 HG2 LYS 52 1HG LYS 52 0.021 -2.819 -7.789 356 HG3 LYS 52 2HG LYS 52 -1.401 -1.880 -7.330 357 HD2 LYS 52 1HD LYS 52 -0.306 -2.051 -10.135 358 HD3 LYS 52 2HD LYS 52 -1.624 -3.050 -9.518 359 HE2 LYS 52 1HE LYS 52 -2.850 -0.935 -8.974 360 HE3 LYS 52 2HE LYS 52 -1.581 -0.052 -9.820 361 HZ1 LYS 52 1HZ LYS 52 -3.819 -1.414 -10.891 362 HZ2 LYS 52 2HZ LYS 52 -2.394 -2.057 -11.535 363 HZ3 LYS 52 3HZ LYS 52 -2.713 -0.402 -11.676 364 H LEU 53 H LEU 53 -2.637 0.338 -6.120 365 HA LEU 53 HA LEU 53 -1.271 0.585 -3.521 366 HB2 LEU 53 1HB LEU 53 -2.668 2.453 -3.747 367 HB3 LEU 53 2HB LEU 53 -3.970 1.499 -4.456 368 HG LEU 53 HG LEU 53 -4.272 0.414 -2.216 369 HD11 LEU 53 1HD1 LEU 53 -1.982 2.143 -1.625 370 HD12 LEU 53 2HD1 LEU 53 -2.536 0.674 -0.823 371 HD13 LEU 53 3HD1 LEU 53 -3.288 2.223 -0.442 372 HD21 LEU 53 1HD2 LEU 53 -5.653 2.309 -3.076 373 HD22 LEU 53 2HD2 LEU 53 -4.600 3.409 -2.188 374 HD23 LEU 53 3HD2 LEU 53 -5.561 2.213 -1.317 375 H TYR 54 H TYR 54 -1.122 -1.303 -2.519 376 HA TYR 54 HA TYR 54 -3.057 -3.410 -3.063 377 HB2 TYR 54 1HB TYR 54 -0.491 -3.415 -1.463 378 HB3 TYR 54 2HB TYR 54 -1.509 -4.827 -1.720 379 HD1 TYR 54 2HD TYR 54 0.106 -2.149 -3.778 380 HD2 TYR 54 1HD TYR 54 -0.841 -6.278 -3.376 381 HE1 TYR 54 2HE TYR 54 1.300 -2.621 -5.875 382 HE2 TYR 54 1HE TYR 54 0.352 -6.761 -5.472 383 HH TYR 54 HH TYR 54 1.940 -4.174 -7.321 384 H TYR 55 H TYR 55 -4.005 -4.645 -1.294 385 HA TYR 55 HA TYR 55 -4.102 -3.514 1.340 386 HB2 TYR 55 1HB TYR 55 -6.383 -2.815 1.380 387 HB3 TYR 55 2HB TYR 55 -5.637 -2.028 -0.006 388 HD1 TYR 55 1HD TYR 55 -5.925 -3.239 -2.296 389 HD2 TYR 55 2HD TYR 55 -8.379 -3.968 1.102 390 HE1 TYR 55 1HE TYR 55 -7.674 -4.153 -3.763 391 HE2 TYR 55 2HE TYR 55 -10.135 -4.886 -0.355 392 HH TYR 55 HH TYR 55 -10.012 -4.593 -3.789 393 H MET 56 H MET 56 -4.722 -5.002 2.819 394 HA MET 56 HA MET 56 -6.345 -7.273 2.088 395 HB2 MET 56 1HB MET 56 -4.792 -8.946 2.156 396 HB3 MET 56 2HB MET 56 -3.775 -7.658 1.525 397 HG2 MET 56 1HG MET 56 -3.137 -7.186 3.934 398 HG3 MET 56 2HG MET 56 -3.903 -8.724 4.324 399 HE1 MET 56 1HE MET 56 -2.415 -9.857 5.265 400 HE2 MET 56 2HE MET 56 -1.679 -11.099 4.251 401 HE3 MET 56 3HE MET 56 -0.674 -9.843 4.977 402 H GLU 57 H GLU 57 -6.787 -8.684 3.967 403 HA GLU 57 HA GLU 57 -6.926 -7.065 6.393 404 HB2 GLU 57 1HB GLU 57 -9.022 -8.000 5.680 405 HB3 GLU 57 2HB GLU 57 -8.324 -9.609 5.566 406 HG2 GLU 57 1HG GLU 57 -7.832 -9.174 8.130 407 HG3 GLU 57 2HG GLU 57 -9.206 -8.085 7.947 408 H LYS 58 H LYS 58 -5.274 -7.266 7.750 409 HA LYS 58 HA LYS 58 -3.242 -8.977 7.898 410 HB2 LYS 58 1HB LYS 58 -4.040 -7.057 9.537 411 HB3 LYS 58 2HB LYS 58 -4.571 -8.421 10.513 412 HG2 LYS 58 1HG LYS 58 -2.449 -7.990 11.322 413 HG3 LYS 58 2HG LYS 58 -2.176 -9.310 10.182 414 HD2 LYS 58 1HD LYS 58 -1.525 -7.658 8.470 415 HD3 LYS 58 2HD LYS 58 -1.738 -6.369 9.657 416 HE2 LYS 58 1HE LYS 58 0.573 -6.840 9.623 417 HE3 LYS 58 2HE LYS 58 -0.049 -7.596 11.089 418 HZ1 LYS 58 1HZ LYS 58 -0.060 -9.301 8.757 419 HZ2 LYS 58 2HZ LYS 58 0.438 -9.633 10.338 420 HZ3 LYS 58 3HZ LYS 58 1.484 -8.838 9.272 421 H GLY 59 H GLY 59 -3.339 -11.111 7.510 422 HA2 GLY 59 1HA GLY 59 -3.552 -13.182 8.943 423 HA3 GLY 59 2HA GLY 59 -5.236 -12.708 9.115 424 H THR 60 H THR 60 -5.670 -11.867 6.439 425 HA THR 60 HA THR 60 -6.504 -14.228 5.246 426 HB THR 60 HB THR 60 -5.794 -11.955 3.455 427 HG1 THR 60 1HG THR 60 -6.691 -10.602 4.821 428 HG21 THR 60 1HG2 THR 60 -8.435 -12.528 3.116 429 HG22 THR 60 2HG2 THR 60 -7.807 -14.087 3.650 430 HG23 THR 60 3HG2 THR 60 -7.122 -13.300 2.228 431 H ASP 61 H ASP 61 -3.419 -12.616 5.089 432 HA ASP 61 HA ASP 61 -1.411 -13.234 4.215 433 HB2 ASP 61 1HB ASP 61 -2.773 -15.919 3.914 434 HB3 ASP 61 2HB ASP 61 -1.046 -15.636 3.713 435 H LYS 62 H LYS 62 -3.666 -12.250 2.527 436 HA LYS 62 HA LYS 62 -2.389 -12.743 -0.032 437 HB2 LYS 62 1HB LYS 62 -5.117 -13.703 0.665 438 HB3 LYS 62 2HB LYS 62 -4.894 -12.996 -0.931 439 HG2 LYS 62 1HG LYS 62 -2.957 -15.060 -0.034 440 HG3 LYS 62 2HG LYS 62 -4.581 -15.576 -0.494 441 HD2 LYS 62 1HD LYS 62 -4.338 -14.671 -2.680 442 HD3 LYS 62 2HD LYS 62 -2.852 -13.829 -2.235 443 HE2 LYS 62 1HE LYS 62 -3.175 -16.826 -2.253 444 HE3 LYS 62 2HE LYS 62 -2.489 -15.892 -3.582 445 HZ1 LYS 62 1HZ LYS 62 -1.274 -16.723 -1.133 446 HZ2 LYS 62 2HZ LYS 62 -1.101 -15.060 -1.386 447 HZ3 LYS 62 3HZ LYS 62 -0.552 -16.154 -2.553 448 H GLU 63 H GLU 63 -2.063 -10.801 -0.873 449 HA GLU 63 HA GLU 63 -3.928 -8.633 -0.206 450 HB2 GLU 63 1HB GLU 63 -2.179 -7.098 -0.585 451 HB3 GLU 63 2HB GLU 63 -1.438 -8.430 0.291 452 HG2 GLU 63 1HG GLU 63 -1.365 -8.335 -2.696 453 HG3 GLU 63 2HG GLU 63 -0.206 -7.426 -1.729 454 H GLN 64 H GLN 64 -4.495 -7.093 -1.879 455 HA GLN 64 HA GLN 64 -4.606 -8.349 -4.542 456 HB2 GLN 64 1HB GLN 64 -6.574 -6.441 -3.268 457 HB3 GLN 64 2HB GLN 64 -6.701 -7.098 -4.894 458 HG2 GLN 64 1HG GLN 64 -7.231 -9.215 -4.142 459 HG3 GLN 64 2HG GLN 64 -6.524 -8.937 -2.551 460 HE21 GLN 64 1HE2 GLN 64 -7.637 -7.092 -1.329 461 HE22 GLN 64 2HE2 GLN 64 -9.364 -7.118 -1.345 462 H ASP 65 H ASP 65 -5.366 -6.369 -6.139 463 HA ASP 65 HA ASP 65 -3.575 -4.097 -5.686 464 HB2 ASP 65 1HB ASP 65 -2.351 -4.366 -7.631 465 HB3 ASP 65 2HB ASP 65 -2.563 -6.041 -7.130 466 H VAL 66 H VAL 66 -4.469 -2.212 -6.240 467 HA VAL 66 HA VAL 66 -6.761 -2.239 -8.090 468 HB VAL 66 HB VAL 66 -7.788 -0.427 -6.729 469 HG11 VAL 66 1HG1 VAL 66 -9.017 -2.094 -5.931 470 HG12 VAL 66 2HG1 VAL 66 -7.679 -3.218 -6.174 471 HG13 VAL 66 3HG1 VAL 66 -7.832 -2.344 -4.650 472 HG21 VAL 66 1HG2 VAL 66 -5.489 0.042 -5.605 473 HG22 VAL 66 2HG2 VAL 66 -6.973 0.251 -4.675 474 HG23 VAL 66 3HG2 VAL 66 -5.998 -1.204 -4.465 475 H ASP 67 H ASP 67 -6.853 -0.615 -9.566 476 HA ASP 67 HA ASP 67 -4.470 0.889 -10.042 477 HB2 ASP 67 1HB ASP 67 -6.096 -0.057 -11.786 478 HB3 ASP 67 2HB ASP 67 -7.114 1.333 -11.418 479 H VAL 68 H VAL 68 -3.952 2.824 -9.278 480 HA VAL 68 HA VAL 68 -6.107 4.641 -8.431 481 HB VAL 68 HB VAL 68 -3.534 4.126 -6.934 482 HG11 VAL 68 1HG1 VAL 68 -3.762 6.113 -5.971 483 HG12 VAL 68 2HG1 VAL 68 -5.101 6.468 -7.065 484 HG13 VAL 68 3HG1 VAL 68 -5.415 5.724 -5.497 485 HG21 VAL 68 1HG2 VAL 68 -4.861 2.400 -6.238 486 HG22 VAL 68 2HG2 VAL 68 -5.395 3.654 -5.118 487 HG23 VAL 68 3HG2 VAL 68 -6.358 3.279 -6.546 488 H SER 69 H SER 69 -5.992 6.552 -9.396 489 HA SER 69 HA SER 69 -3.413 7.388 -10.546 490 HB2 SER 69 1HB SER 69 -6.251 7.776 -11.448 491 HB3 SER 69 2HB SER 69 -4.996 8.901 -11.966 492 HG SER 69 HG SER 69 -5.044 7.317 -13.487 493 H SER 70 H SER 70 -4.050 7.857 -7.821 494 HA SER 70 HA SER 70 -3.795 10.745 -7.786 495 HB2 SER 70 1HB SER 70 -5.981 9.369 -6.206 496 HB3 SER 70 2HB SER 70 -5.570 11.082 -6.129 497 HG SER 70 HG SER 70 -7.331 10.093 -7.671 498 H HIS 71 H HIS 71 -2.754 11.532 -5.955 499 HA HIS 71 HA HIS 71 -0.915 9.865 -4.705 500 HB2 HIS 71 1HB HIS 71 -1.910 12.632 -4.195 501 HB3 HIS 71 2HB HIS 71 -0.923 11.860 -2.957 502 HD1 HIS 71 1HD HIS 71 -0.358 14.255 -5.255 503 HD2 HIS 71 2HD HIS 71 1.374 10.507 -4.793 504 HE1 HIS 71 1HE HIS 71 1.869 14.395 -6.415 505 HE2 HIS 71 2HE HIS 71 2.861 12.091 -6.196 506 H SER 72 H SER 72 -4.170 10.736 -3.775 507 HA SER 72 HA SER 72 -3.909 8.992 -1.412 508 HB2 SER 72 1HB SER 72 -5.612 10.335 -0.300 509 HB3 SER 72 2HB SER 72 -4.285 11.374 -0.820 510 HG SER 72 HG SER 72 -6.277 12.306 -1.356 511 H TYR 73 H TYR 73 -5.661 7.627 -0.914 512 HA TYR 73 HA TYR 73 -7.793 7.403 -2.903 513 HB2 TYR 73 1HB TYR 73 -5.910 5.883 -3.571 514 HB3 TYR 73 2HB TYR 73 -6.137 5.021 -2.053 515 HD1 TYR 73 2HD TYR 73 -7.792 5.915 -5.247 516 HD2 TYR 73 1HD TYR 73 -7.815 3.374 -1.834 517 HE1 TYR 73 2HE TYR 73 -9.508 4.511 -6.311 518 HE2 TYR 73 1HE TYR 73 -9.530 1.962 -2.889 519 HH TYR 73 HH TYR 73 -10.922 1.736 -4.615 520 H THR 74 H THR 74 -9.590 6.083 -2.191 521 HA THR 74 HA THR 74 -9.692 5.700 0.727 522 HB THR 74 HB THR 74 -11.991 6.755 -0.927 523 HG1 THR 74 1HG THR 74 -10.301 8.310 -0.746 524 HG21 THR 74 1HG2 THR 74 -11.568 6.217 1.997 525 HG22 THR 74 2HG2 THR 74 -12.895 5.702 0.956 526 HG23 THR 74 3HG2 THR 74 -12.764 7.390 1.447 527 H ILE 75 H ILE 75 -9.954 3.607 1.115 528 HA ILE 75 HA ILE 75 -11.338 1.927 -0.832 529 HB ILE 75 HB ILE 75 -9.794 1.156 1.647 530 HG12 ILE 75 1HG1 ILE 75 -8.967 0.667 -1.204 531 HG13 ILE 75 2HG1 ILE 75 -8.579 2.182 -0.396 532 HG21 ILE 75 1HG2 ILE 75 -11.722 -0.338 0.591 533 HG22 ILE 75 2HG2 ILE 75 -10.414 -0.791 -0.500 534 HG23 ILE 75 3HG2 ILE 75 -10.238 -1.036 1.238 535 HD11 ILE 75 1HD1 ILE 75 -7.627 -0.581 0.244 536 HD12 ILE 75 2HD1 ILE 75 -6.684 0.866 -0.113 537 HD13 ILE 75 3HD1 ILE 75 -7.536 0.726 1.424 538 H ASN 76 H ASN 76 -13.397 1.389 -0.586 539 HA ASN 76 HA ASN 76 -14.589 1.586 2.100 540 HB2 ASN 76 1HB ASN 76 -16.275 1.611 -0.367 541 HB3 ASN 76 2HB ASN 76 -16.553 2.392 1.187 542 HD21 ASN 76 1HD2 ASN 76 -15.351 4.299 1.682 543 HD22 ASN 76 2HD2 ASN 76 -14.766 5.311 0.410 544 H GLY 77 H GLY 77 -16.289 0.055 2.621 545 HA2 GLY 77 1HA GLY 77 -17.408 -1.995 2.417 546 HA3 GLY 77 2HA GLY 77 -16.453 -2.348 0.984 547 H LEU 78 H LEU 78 -15.730 -1.659 4.410 548 HA LEU 78 HA LEU 78 -14.200 -4.171 4.488 549 HB2 LEU 78 1HB LEU 78 -13.361 -1.649 5.896 550 HB3 LEU 78 2HB LEU 78 -12.449 -3.148 5.728 551 HG LEU 78 HG LEU 78 -13.104 -1.238 3.484 552 HD11 LEU 78 1HD1 LEU 78 -11.520 -0.162 4.853 553 HD12 LEU 78 2HD1 LEU 78 -10.594 -0.901 3.547 554 HD13 LEU 78 3HD1 LEU 78 -10.631 -1.658 5.139 555 HD21 LEU 78 1HD2 LEU 78 -11.756 -2.597 2.096 556 HD22 LEU 78 2HD2 LEU 78 -12.874 -3.688 2.914 557 HD23 LEU 78 3HD2 LEU 78 -11.201 -3.568 3.460 558 H LYS 79 H LYS 79 -13.717 -4.832 6.801 559 HA LYS 79 HA LYS 79 -16.203 -4.793 8.272 560 HB2 LYS 79 1HB LYS 79 -13.574 -6.156 8.885 561 HB3 LYS 79 2HB LYS 79 -15.079 -6.412 9.758 562 HG2 LYS 79 1HG LYS 79 -16.037 -7.084 7.461 563 HG3 LYS 79 2HG LYS 79 -14.346 -7.245 6.981 564 HD2 LYS 79 1HD LYS 79 -15.460 -8.588 9.431 565 HD3 LYS 79 2HD LYS 79 -15.508 -9.343 7.836 566 HE2 LYS 79 1HE LYS 79 -13.002 -8.931 7.736 567 HE3 LYS 79 2HE LYS 79 -13.099 -8.555 9.456 568 HZ1 LYS 79 1HZ LYS 79 -12.521 -10.925 8.807 569 HZ2 LYS 79 2HZ LYS 79 -14.145 -11.096 8.366 570 HZ3 LYS 79 3HZ LYS 79 -13.737 -10.724 9.966 571 H LYS 80 H LYS 80 -16.132 -4.506 10.687 572 HA LYS 80 HA LYS 80 -14.745 -2.006 11.278 573 HB2 LYS 80 1HB LYS 80 -16.893 -3.457 12.836 574 HB3 LYS 80 2HB LYS 80 -16.258 -1.859 13.206 575 HG2 LYS 80 1HG LYS 80 -18.096 -1.214 12.071 576 HG3 LYS 80 2HG LYS 80 -17.024 -1.431 10.685 577 HD2 LYS 80 1HD LYS 80 -17.896 -3.845 10.641 578 HD3 LYS 80 2HD LYS 80 -19.179 -3.258 11.702 579 HE2 LYS 80 1HE LYS 80 -18.511 -2.079 9.008 580 HE3 LYS 80 2HE LYS 80 -19.787 -3.262 9.290 581 HZ1 LYS 80 1HZ LYS 80 -20.339 -1.363 11.119 582 HZ2 LYS 80 2HZ LYS 80 -21.065 -1.472 9.595 583 HZ3 LYS 80 3HZ LYS 80 -19.752 -0.432 9.833 584 H TYR 81 H TYR 81 -13.426 -1.710 13.080 585 HA TYR 81 HA TYR 81 -11.735 -2.281 14.495 586 HB2 TYR 81 1HB TYR 81 -13.974 -3.060 15.669 587 HB3 TYR 81 2HB TYR 81 -13.282 -4.660 15.428 588 HD1 TYR 81 2HD TYR 81 -11.850 -1.356 16.444 589 HD2 TYR 81 1HD TYR 81 -12.388 -5.469 17.390 590 HE1 TYR 81 2HE TYR 81 -10.482 -1.063 18.466 591 HE2 TYR 81 1HE TYR 81 -11.022 -5.187 19.416 592 HH TYR 81 HH TYR 81 -9.004 -2.728 19.946 593 H THR 82 H THR 82 -11.319 -3.222 11.952 594 HA THR 82 HA THR 82 -9.943 -5.773 12.474 595 HB THR 82 HB THR 82 -11.374 -5.007 9.922 596 HG1 THR 82 1HG THR 82 -12.683 -5.827 11.687 597 HG21 THR 82 1HG2 THR 82 -10.257 -7.720 10.306 598 HG22 THR 82 2HG2 THR 82 -9.097 -6.430 9.991 599 HG23 THR 82 3HG2 THR 82 -10.396 -6.748 8.842 600 H GLU 83 H GLU 83 -7.857 -5.879 11.846 601 HA GLU 83 HA GLU 83 -6.566 -3.461 11.001 602 HB2 GLU 83 1HB GLU 83 -5.722 -5.431 12.558 603 HB3 GLU 83 2HB GLU 83 -5.135 -6.079 11.033 604 HG2 GLU 83 1HG GLU 83 -3.639 -4.348 10.718 605 HG3 GLU 83 2HG GLU 83 -4.508 -3.265 11.804 606 H TYR 84 H TYR 84 -5.483 -3.060 9.081 607 HA TYR 84 HA TYR 84 -5.743 -5.014 6.920 608 HB2 TYR 84 1HB TYR 84 -6.871 -2.221 6.899 609 HB3 TYR 84 2HB TYR 84 -6.473 -3.070 5.410 610 HD1 TYR 84 2HD TYR 84 -7.666 -5.205 4.864 611 HD2 TYR 84 1HD TYR 84 -8.861 -2.705 8.092 612 HE1 TYR 84 2HE TYR 84 -9.859 -6.319 4.907 613 HE2 TYR 84 1HE TYR 84 -11.056 -3.812 8.145 614 HH TYR 84 HH TYR 84 -11.705 -6.671 6.818 615 H SER 85 H SER 85 -4.003 -5.088 5.631 616 HA SER 85 HA SER 85 -1.801 -3.285 6.213 617 HB2 SER 85 1HB SER 85 -1.573 -5.819 5.989 618 HB3 SER 85 2HB SER 85 -1.773 -5.581 4.254 619 HG SER 85 HG SER 85 0.154 -4.115 5.694 620 H PHE 86 H PHE 86 -0.652 -2.119 4.612 621 HA PHE 86 HA PHE 86 -1.890 -1.812 1.995 622 HB2 PHE 86 1HB PHE 86 -1.563 0.493 3.927 623 HB3 PHE 86 2HB PHE 86 -1.977 0.662 2.224 624 HD1 PHE 86 2HD PHE 86 -4.093 -0.646 1.443 625 HD2 PHE 86 1HD PHE 86 -3.245 0.356 5.492 626 HE1 PHE 86 2HE PHE 86 -6.477 -0.890 1.999 627 HE2 PHE 86 1HE PHE 86 -5.628 0.112 6.055 628 HZ PHE 86 HZ PHE 86 -7.248 -0.510 4.307 629 H ARG 87 H ARG 87 -0.474 -1.202 0.416 630 HA ARG 87 HA ARG 87 2.138 -0.149 1.117 631 HB2 ARG 87 1HB ARG 87 3.376 -1.928 -0.003 632 HB3 ARG 87 2HB ARG 87 2.440 -2.577 1.337 633 HG2 ARG 87 1HG ARG 87 0.925 -3.635 -0.069 634 HG3 ARG 87 2HG ARG 87 1.355 -2.625 -1.450 635 HD2 ARG 87 1HD ARG 87 2.458 -4.537 -2.024 636 HD3 ARG 87 2HD ARG 87 3.718 -3.745 -1.079 637 HE ARG 87 HE ARG 87 2.160 -5.340 0.627 638 HH11 ARG 87 2HH1 ARG 87 4.466 -5.645 -1.963 639 HH12 ARG 87 1HH1 ARG 87 5.065 -7.179 -1.424 640 HH21 ARG 87 2HH2 ARG 87 2.940 -7.359 1.347 641 HH22 ARG 87 1HH2 ARG 87 4.195 -8.153 0.458 642 H VAL 88 H VAL 88 3.029 1.055 -0.490 643 HA VAL 88 HA VAL 88 1.488 1.235 -2.991 644 HB VAL 88 HB VAL 88 3.262 3.299 -1.680 645 HG11 VAL 88 1HG1 VAL 88 3.442 3.567 -4.041 646 HG12 VAL 88 2HG1 VAL 88 1.701 3.369 -4.255 647 HG13 VAL 88 3HG1 VAL 88 2.334 4.806 -3.452 648 HG21 VAL 88 1HG2 VAL 88 1.108 4.551 -1.467 649 HG22 VAL 88 2HG2 VAL 88 0.270 3.084 -1.970 650 HG23 VAL 88 3HG2 VAL 88 1.206 3.096 -0.476 651 H VAL 89 H VAL 89 2.483 1.080 -4.950 652 HA VAL 89 HA VAL 89 5.401 0.744 -4.998 653 HB VAL 89 HB VAL 89 3.438 -1.105 -6.363 654 HG11 VAL 89 1HG1 VAL 89 5.603 -2.366 -6.879 655 HG12 VAL 89 2HG1 VAL 89 5.257 -0.918 -7.827 656 HG13 VAL 89 3HG1 VAL 89 6.426 -0.852 -6.507 657 HG21 VAL 89 1HG2 VAL 89 4.975 -2.705 -4.846 658 HG22 VAL 89 2HG2 VAL 89 4.968 -1.255 -3.842 659 HG23 VAL 89 3HG2 VAL 89 3.446 -2.021 -4.294 660 H ALA 90 H ALA 90 6.417 1.434 -6.856 661 HA ALA 90 HA ALA 90 4.775 3.080 -8.631 662 HB1 ALA 90 1HB ALA 90 7.142 3.828 -9.401 663 HB2 ALA 90 2HB ALA 90 6.513 4.382 -7.849 664 HB3 ALA 90 3HB ALA 90 7.673 3.055 -7.907 665 H TYR 91 H TYR 91 4.245 2.397 -10.593 666 HA TYR 91 HA TYR 91 5.790 0.191 -11.778 667 HB2 TYR 91 1HB TYR 91 2.900 0.937 -11.858 668 HB3 TYR 91 2HB TYR 91 3.588 0.107 -13.249 669 HD1 TYR 91 2HD TYR 91 2.883 -0.175 -9.638 670 HD2 TYR 91 1HD TYR 91 4.129 -2.215 -13.158 671 HE1 TYR 91 2HE TYR 91 2.612 -2.327 -8.480 672 HE2 TYR 91 1HE TYR 91 3.860 -4.373 -12.010 673 HH TYR 91 HH TYR 91 3.930 -5.082 -9.384 674 H ASN 92 H ASN 92 7.185 0.856 -13.264 675 HA ASN 92 HA ASN 92 6.340 2.975 -15.128 676 HB2 ASN 92 1HB ASN 92 8.647 3.760 -15.234 677 HB3 ASN 92 2HB ASN 92 8.074 3.793 -13.569 678 HD21 ASN 92 1HD2 ASN 92 10.757 3.834 -14.214 679 HD22 ASN 92 2HD2 ASN 92 11.488 2.358 -13.691 680 H LYS 93 H LYS 93 7.433 2.893 -17.243 681 HA LYS 93 HA LYS 93 7.045 0.679 -18.690 682 HB2 LYS 93 1HB LYS 93 8.676 1.468 -20.308 683 HB3 LYS 93 2HB LYS 93 7.799 2.833 -19.630 684 HG2 LYS 93 1HG LYS 93 9.826 2.922 -17.976 685 HG3 LYS 93 2HG LYS 93 10.642 2.032 -19.264 686 HD2 LYS 93 1HD LYS 93 11.108 4.166 -19.930 687 HD3 LYS 93 2HD LYS 93 9.566 3.937 -20.759 688 HE2 LYS 93 1HE LYS 93 9.507 6.066 -19.681 689 HE3 LYS 93 2HE LYS 93 8.442 4.981 -18.788 690 HZ1 LYS 93 1HZ LYS 93 10.758 4.640 -17.494 691 HZ2 LYS 93 2HZ LYS 93 9.571 5.751 -17.029 692 HZ3 LYS 93 3HZ LYS 93 10.896 6.264 -17.948 693 H HIS 94 H HIS 94 9.964 1.328 -16.802 694 HA HIS 94 HA HIS 94 11.433 -0.926 -17.618 695 HB2 HIS 94 1HB HIS 94 11.575 0.452 -14.931 696 HB3 HIS 94 2HB HIS 94 12.835 -0.517 -15.689 697 HD1 HIS 94 1HD HIS 94 12.506 0.864 -18.547 698 HD2 HIS 94 2HD HIS 94 13.049 2.798 -14.910 699 HE1 HIS 94 1HE HIS 94 13.488 3.108 -19.118 700 HE2 HIS 94 2HE HIS 94 13.886 4.226 -16.897 701 H GLY 95 H GLY 95 9.866 -0.473 -14.441 702 HA2 GLY 95 1HA GLY 95 8.347 -2.802 -14.437 703 HA3 GLY 95 2HA GLY 95 9.931 -3.237 -13.814 704 HA PRO 96 HA PRO 96 7.111 -1.467 -10.452 705 HB2 PRO 96 1HB PRO 96 6.801 -3.756 -9.025 706 HB3 PRO 96 2HB PRO 96 5.703 -3.279 -10.325 707 HG2 PRO 96 1HG PRO 96 7.982 -5.219 -10.386 708 HG3 PRO 96 2HG PRO 96 6.366 -5.369 -11.100 709 HD2 PRO 96 1HD PRO 96 8.543 -4.680 -12.555 710 HD3 PRO 96 2HD PRO 96 6.916 -4.076 -12.927 711 H GLY 97 H GLY 97 9.117 -0.386 -9.931 712 HA2 GLY 97 1HA GLY 97 11.378 -1.497 -8.803 713 HA3 GLY 97 2HA GLY 97 10.785 0.116 -8.433 714 H VAL 98 H VAL 98 11.942 -0.672 -6.368 715 HA VAL 98 HA VAL 98 11.078 -2.568 -4.632 716 HB VAL 98 HB VAL 98 11.687 -1.057 -2.770 717 HG11 VAL 98 1HG1 VAL 98 13.691 -0.706 -4.976 718 HG12 VAL 98 2HG1 VAL 98 13.974 -0.992 -3.257 719 HG13 VAL 98 3HG1 VAL 98 13.352 -2.289 -4.278 720 HG21 VAL 98 1HG2 VAL 98 11.139 1.097 -3.133 721 HG22 VAL 98 2HG2 VAL 98 12.746 1.185 -3.853 722 HG23 VAL 98 3HG2 VAL 98 11.330 0.962 -4.881 723 H SER 99 H SER 99 9.742 -2.299 -2.617 724 HA SER 99 HA SER 99 7.296 -0.753 -3.162 725 HB2 SER 99 1HB SER 99 6.845 -3.099 -3.653 726 HB3 SER 99 2HB SER 99 7.469 -3.574 -2.073 727 HG SER 99 HG SER 99 5.743 -2.061 -1.274 728 H THR 100 H THR 100 6.428 0.337 -1.476 729 HA THR 100 HA THR 100 7.994 0.940 0.760 730 HB THR 100 HB THR 100 5.611 1.726 1.665 731 HG1 THR 100 1HG THR 100 4.457 2.305 -0.422 732 HG21 THR 100 1HG2 THR 100 7.479 2.876 -0.333 733 HG22 THR 100 2HG2 THR 100 7.014 3.476 1.259 734 HG23 THR 100 3HG2 THR 100 5.930 3.690 -0.115 735 HA PRO 101 HA PRO 101 7.165 -2.170 3.744 736 HB2 PRO 101 1HB PRO 101 7.059 -0.730 6.043 737 HB3 PRO 101 2HB PRO 101 8.564 -1.031 5.166 738 HG2 PRO 101 1HG PRO 101 6.818 1.400 5.150 739 HG3 PRO 101 2HG PRO 101 8.586 1.293 5.221 740 HD2 PRO 101 1HD PRO 101 7.251 1.847 2.932 741 HD3 PRO 101 2HD PRO 101 8.783 0.949 2.951 742 H ASP 102 H ASP 102 5.383 -3.256 4.287 743 HA ASP 102 HA ASP 102 2.815 -2.531 3.878 744 HB2 ASP 102 1HB ASP 102 2.124 -4.341 5.263 745 HB3 ASP 102 2HB ASP 102 3.676 -4.808 4.574 746 H VAL 103 H VAL 103 1.195 -1.454 4.909 747 HA VAL 103 HA VAL 103 1.895 -0.106 7.436 748 HB VAL 103 HB VAL 103 0.246 0.999 5.158 749 HG11 VAL 103 1HG1 VAL 103 -0.069 1.541 7.831 750 HG12 VAL 103 2HG1 VAL 103 1.024 2.820 7.299 751 HG13 VAL 103 3HG1 VAL 103 -0.536 2.604 6.504 752 HG21 VAL 103 1HG2 VAL 103 3.041 1.031 5.663 753 HG22 VAL 103 2HG2 VAL 103 2.149 1.827 4.367 754 HG23 VAL 103 3HG2 VAL 103 2.421 2.666 5.894 755 H ALA 104 H ALA 104 0.868 -1.926 8.500 756 HA ALA 104 HA ALA 104 -1.872 -2.555 8.090 757 HB1 ALA 104 1HB ALA 104 0.152 -3.208 10.184 758 HB2 ALA 104 2HB ALA 104 -1.552 -3.563 10.477 759 HB3 ALA 104 3HB ALA 104 -0.726 -4.281 9.094 760 H VAL 105 H VAL 105 -3.689 -1.779 9.028 761 HA VAL 105 HA VAL 105 -3.496 0.068 11.274 762 HB VAL 105 HB VAL 105 -3.337 1.452 9.192 763 HG11 VAL 105 1HG1 VAL 105 -4.910 -0.083 7.911 764 HG12 VAL 105 2HG1 VAL 105 -6.224 0.749 8.744 765 HG13 VAL 105 3HG1 VAL 105 -5.135 1.651 7.690 766 HG21 VAL 105 1HG2 VAL 105 -4.502 2.047 11.483 767 HG22 VAL 105 2HG2 VAL 105 -4.551 3.159 10.115 768 HG23 VAL 105 3HG2 VAL 105 -5.940 2.130 10.465 769 H ARG 106 H ARG 106 -5.373 0.228 12.490 770 HA ARG 106 HA ARG 106 -7.396 -1.806 11.880 771 HB2 ARG 106 1HB ARG 106 -6.111 -1.759 14.096 772 HB3 ARG 106 2HB ARG 106 -7.079 -0.347 14.495 773 HG2 ARG 106 1HG ARG 106 -9.120 -1.728 14.144 774 HG3 ARG 106 2HG ARG 106 -8.070 -3.133 13.943 775 HD2 ARG 106 1HD ARG 106 -7.909 -1.384 16.376 776 HD3 ARG 106 2HD ARG 106 -9.081 -2.695 16.262 777 HE ARG 106 HE ARG 106 -6.234 -2.934 16.638 778 HH11 ARG 106 2HH1 ARG 106 -9.150 -4.526 15.597 779 HH12 ARG 106 1HH1 ARG 106 -8.531 -6.122 15.869 780 HH21 ARG 106 2HH2 ARG 106 -5.408 -5.029 17.000 781 HH22 ARG 106 1HH2 ARG 106 -6.403 -6.406 16.668 782 H THR 107 H THR 107 -9.439 -1.285 11.404 783 HA THR 107 HA THR 107 -10.139 1.435 10.914 784 HB THR 107 HB THR 107 -12.487 0.354 10.568 785 HG1 THR 107 1HG THR 107 -12.282 -1.630 11.460 786 HG21 THR 107 1HG2 THR 107 -11.174 -0.907 8.476 787 HG22 THR 107 2HG2 THR 107 -10.074 0.387 8.952 788 HG23 THR 107 3HG2 THR 107 -11.736 0.764 8.502 789 H LEU 108 H LEU 108 -12.364 2.239 11.700 790 HA LEU 108 HA LEU 108 -12.225 2.458 14.549 791 HB2 LEU 108 1HB LEU 108 -14.398 3.432 12.705 792 HB3 LEU 108 2HB LEU 108 -14.075 3.986 14.346 793 HG LEU 108 HG LEU 108 -12.225 4.386 11.997 794 HD11 LEU 108 1HD1 LEU 108 -13.534 6.696 13.247 795 HD12 LEU 108 2HD1 LEU 108 -14.605 5.635 12.332 796 HD13 LEU 108 3HD1 LEU 108 -13.199 6.357 11.549 797 HD21 LEU 108 1HD2 LEU 108 -10.760 5.373 13.398 798 HD22 LEU 108 2HD2 LEU 108 -11.534 4.339 14.599 799 HD23 LEU 108 3HD2 LEU 108 -12.027 6.025 14.438 800 H SER 109 H SER 109 -13.652 1.711 16.091 801 HA SER 109 HA SER 109 -15.130 -0.675 15.349 802 HB2 SER 109 1HB SER 109 -15.290 -1.111 17.716 803 HB3 SER 109 2HB SER 109 -13.639 -0.601 17.365 804 HG SER 109 HG SER 109 -15.134 1.549 17.916 805 H ASP 110 H ASP 110 -17.246 -0.737 15.008 806 HA ASP 110 HA ASP 110 -18.838 1.645 15.437 807 HB2 ASP 110 1HB ASP 110 -18.909 0.101 13.368 808 HB3 ASP 110 2HB ASP 110 -19.876 -0.973 14.376 809 H SER 111 H SER 111 -18.034 0.648 17.854 810 HA SER 111 HA SER 111 -20.404 -0.728 18.923 811 HB2 SER 111 1HB SER 111 -17.639 -0.422 20.121 812 HB3 SER 111 2HB SER 111 -18.986 -1.277 20.874 813 HG SER 111 HG SER 111 -18.198 -2.920 19.819 814 H GLY 112 H GLY 112 -18.194 1.982 19.536 815 HA2 GLY 112 1HA GLY 112 -19.374 3.039 21.810 816 HA3 GLY 112 2HA GLY 112 -18.536 3.991 20.593 817 HA PRO 113 HA PRO 113 -23.379 4.318 20.435 818 HB2 PRO 113 1HB PRO 113 -24.021 5.802 22.616 819 HB3 PRO 113 2HB PRO 113 -24.041 4.034 22.617 820 HG2 PRO 113 1HG PRO 113 -21.938 5.905 23.636 821 HG3 PRO 113 2HG PRO 113 -22.572 4.424 24.377 822 HD2 PRO 113 1HD PRO 113 -20.218 4.492 23.039 823 HD3 PRO 113 2HD PRO 113 -21.262 3.056 23.062 824 H SER 114 H SER 114 -24.569 6.324 20.029 825 HA SER 114 HA SER 114 -23.022 8.247 18.709 826 HB2 SER 114 1HB SER 114 -25.282 7.970 18.014 827 HB3 SER 114 2HB SER 114 -25.894 8.270 19.641 828 HG SER 114 HG SER 114 -25.975 10.054 18.018 829 H SER 115 H SER 115 -24.400 8.201 21.949 830 HA SER 115 HA SER 115 -23.705 10.912 22.548 831 HB2 SER 115 1HB SER 115 -25.557 9.735 23.694 832 HB3 SER 115 2HB SER 115 -24.388 8.644 24.437 833 HG SER 115 HG SER 115 -24.843 10.291 25.878 834 H GLY 116 H GLY 116 -22.492 7.832 23.896 835 HA2 GLY 116 1HA GLY 116 -20.145 9.112 24.955 836 HA3 GLY 116 2HA GLY 116 -20.501 7.391 24.986 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -18.450 -6.408 -17.391 2 HA2 GLY 1 1HA GLY 1 -17.539 -8.367 -18.908 3 HA3 GLY 1 2HA GLY 1 -16.742 -7.008 -19.687 4 H SER 2 H SER 2 -14.842 -8.377 -19.030 5 HA SER 2 HA SER 2 -13.745 -7.282 -16.580 6 HB2 SER 2 1HB SER 2 -13.082 -9.449 -15.659 7 HB3 SER 2 2HB SER 2 -14.836 -9.369 -15.824 8 HG SER 2 HG SER 2 -12.989 -10.939 -17.174 9 H SER 3 H SER 3 -11.442 -7.515 -16.432 10 HA SER 3 HA SER 3 -10.199 -8.007 -19.056 11 HB2 SER 3 1HB SER 3 -9.690 -6.003 -16.905 12 HB3 SER 3 2HB SER 3 -8.314 -6.563 -17.855 13 HG SER 3 HG SER 3 -8.974 -5.140 -19.250 14 H GLY 4 H GLY 4 -7.719 -8.469 -18.741 15 HA2 GLY 4 1HA GLY 4 -6.973 -9.981 -16.432 16 HA3 GLY 4 2HA GLY 4 -7.411 -11.027 -17.774 17 H SER 5 H SER 5 -5.007 -11.513 -17.134 18 HA SER 5 HA SER 5 -3.404 -10.415 -19.265 19 HB2 SER 5 1HB SER 5 -2.865 -9.766 -16.389 20 HB3 SER 5 2HB SER 5 -1.510 -9.969 -17.499 21 HG SER 5 HG SER 5 -1.959 -8.102 -18.344 22 H SER 6 H SER 6 -1.470 -11.619 -19.649 23 HA SER 6 HA SER 6 -0.755 -13.867 -18.050 24 HB2 SER 6 1HB SER 6 -2.922 -14.564 -19.278 25 HB3 SER 6 2HB SER 6 -1.916 -14.618 -20.725 26 HG SER 6 HG SER 6 -0.932 -15.920 -18.479 27 H GLY 7 H GLY 7 0.800 -15.344 -19.371 28 HA2 GLY 7 1HA GLY 7 2.223 -15.263 -21.442 29 HA3 GLY 7 2HA GLY 7 2.454 -13.565 -21.053 30 H ARG 8 H ARG 8 2.997 -16.842 -19.822 31 HA ARG 8 HA ARG 8 4.801 -16.046 -17.776 32 HB2 ARG 8 1HB ARG 8 4.303 -18.704 -19.118 33 HB3 ARG 8 2HB ARG 8 5.430 -18.495 -17.785 34 HG2 ARG 8 1HG ARG 8 2.561 -17.664 -17.550 35 HG3 ARG 8 2HG ARG 8 3.076 -19.325 -17.250 36 HD2 ARG 8 1HD ARG 8 4.545 -17.117 -15.903 37 HD3 ARG 8 2HD ARG 8 2.942 -17.544 -15.305 38 HE ARG 8 HE ARG 8 5.338 -18.997 -14.899 39 HH11 ARG 8 2HH1 ARG 8 1.934 -19.424 -15.494 40 HH12 ARG 8 1HH1 ARG 8 1.856 -20.964 -14.704 41 HH21 ARG 8 2HH2 ARG 8 5.248 -21.024 -13.857 42 HH22 ARG 8 1HH2 ARG 8 3.742 -21.873 -13.773 43 H VAL 9 H VAL 9 6.301 -14.660 -18.781 44 HA VAL 9 HA VAL 9 8.245 -16.027 -20.527 45 HB VAL 9 HB VAL 9 8.840 -13.807 -21.429 46 HG11 VAL 9 1HG1 VAL 9 6.010 -14.774 -21.694 47 HG12 VAL 9 2HG1 VAL 9 6.634 -13.434 -22.659 48 HG13 VAL 9 3HG1 VAL 9 7.371 -15.032 -22.785 49 HG21 VAL 9 1HG2 VAL 9 6.485 -12.368 -20.693 50 HG22 VAL 9 2HG2 VAL 9 7.328 -12.884 -19.233 51 HG23 VAL 9 3HG2 VAL 9 8.175 -11.928 -20.448 52 H GLU 10 H GLU 10 10.270 -16.190 -19.802 53 HA GLU 10 HA GLU 10 10.974 -15.452 -17.184 54 HB2 GLU 10 1HB GLU 10 12.592 -16.364 -19.553 55 HB3 GLU 10 2HB GLU 10 13.345 -15.983 -18.011 56 HG2 GLU 10 1HG GLU 10 12.214 -17.733 -16.911 57 HG3 GLU 10 2HG GLU 10 11.115 -17.974 -18.268 58 H THR 11 H THR 11 10.550 -13.227 -16.976 59 HA THR 11 HA THR 11 12.573 -11.497 -18.243 60 HB THR 11 HB THR 11 9.772 -10.654 -17.480 61 HG1 THR 11 1HG THR 11 10.659 -10.735 -20.139 62 HG21 THR 11 1HG2 THR 11 10.381 -8.653 -18.879 63 HG22 THR 11 2HG2 THR 11 12.044 -9.240 -18.870 64 HG23 THR 11 3HG2 THR 11 11.259 -8.791 -17.356 65 H GLN 12 H GLN 12 13.960 -11.735 -16.450 66 HA GLN 12 HA GLN 12 13.226 -11.345 -13.774 67 HB2 GLN 12 1HB GLN 12 15.570 -11.136 -13.306 68 HB3 GLN 12 2HB GLN 12 15.373 -12.348 -14.566 69 HG2 GLN 12 1HG GLN 12 16.051 -10.764 -16.253 70 HG3 GLN 12 2HG GLN 12 16.138 -9.478 -15.050 71 HE21 GLN 12 1HE2 GLN 12 17.897 -11.678 -16.758 72 HE22 GLN 12 2HE2 GLN 12 19.308 -11.751 -15.763 73 HA PRO 13 HA PRO 13 12.629 -7.014 -13.370 74 HB2 PRO 13 1HB PRO 13 13.455 -6.634 -10.812 75 HB3 PRO 13 2HB PRO 13 11.937 -7.441 -11.222 76 HG2 PRO 13 1HG PRO 13 14.576 -8.637 -10.469 77 HG3 PRO 13 2HG PRO 13 12.947 -9.101 -9.944 78 HD2 PRO 13 1HD PRO 13 14.294 -10.446 -11.870 79 HD3 PRO 13 2HD PRO 13 12.525 -10.288 -11.874 80 H GLU 14 H GLU 14 13.729 -4.979 -13.033 81 HA GLU 14 HA GLU 14 16.590 -5.180 -13.641 82 HB2 GLU 14 1HB GLU 14 14.457 -3.192 -14.252 83 HB3 GLU 14 2HB GLU 14 16.105 -2.602 -14.093 84 HG2 GLU 14 1HG GLU 14 15.682 -3.041 -16.395 85 HG3 GLU 14 2HG GLU 14 16.809 -4.258 -15.798 86 H VAL 15 H VAL 15 17.645 -2.874 -12.903 87 HA VAL 15 HA VAL 15 17.225 -2.773 -9.987 88 HB VAL 15 HB VAL 15 19.584 -2.048 -9.811 89 HG11 VAL 15 1HG1 VAL 15 20.216 -4.180 -9.570 90 HG12 VAL 15 2HG1 VAL 15 18.598 -4.588 -10.145 91 HG13 VAL 15 3HG1 VAL 15 19.953 -4.544 -11.275 92 HG21 VAL 15 1HG2 VAL 15 20.739 -1.394 -11.591 93 HG22 VAL 15 2HG2 VAL 15 20.532 -2.977 -12.340 94 HG23 VAL 15 3HG2 VAL 15 19.330 -1.713 -12.602 95 H GLN 16 H GLN 16 17.231 -0.987 -12.905 96 HA GLN 16 HA GLN 16 17.577 1.592 -11.638 97 HB2 GLN 16 1HB GLN 16 17.232 2.513 -13.871 98 HB3 GLN 16 2HB GLN 16 18.420 1.216 -13.912 99 HG2 GLN 16 1HG GLN 16 17.200 0.618 -15.716 100 HG3 GLN 16 2HG GLN 16 16.267 -0.223 -14.479 101 HE21 GLN 16 1HE2 GLN 16 16.467 2.960 -16.036 102 HE22 GLN 16 2HE2 GLN 16 14.760 3.201 -16.150 103 H LEU 17 H LEU 17 15.459 0.123 -10.535 104 HA LEU 17 HA LEU 17 12.989 1.135 -11.658 105 HB2 LEU 17 1HB LEU 17 13.745 -0.719 -9.465 106 HB3 LEU 17 2HB LEU 17 12.175 0.076 -9.365 107 HG LEU 17 HG LEU 17 12.041 -2.176 -10.343 108 HD11 LEU 17 1HD1 LEU 17 11.373 0.137 -12.150 109 HD12 LEU 17 2HD1 LEU 17 10.331 -0.636 -10.956 110 HD13 LEU 17 3HD1 LEU 17 10.804 -1.512 -12.412 111 HD21 LEU 17 1HD2 LEU 17 14.238 -2.228 -11.414 112 HD22 LEU 17 2HD2 LEU 17 13.709 -1.003 -12.567 113 HD23 LEU 17 3HD2 LEU 17 12.954 -2.597 -12.565 114 HA PRO 18 HA PRO 18 12.496 4.733 -9.197 115 HB2 PRO 18 1HB PRO 18 9.863 4.649 -8.541 116 HB3 PRO 18 2HB PRO 18 10.435 5.010 -10.174 117 HG2 PRO 18 1HG PRO 18 9.411 2.431 -9.053 118 HG3 PRO 18 2HG PRO 18 9.063 3.186 -10.619 119 HD2 PRO 18 1HD PRO 18 10.840 1.162 -10.341 120 HD3 PRO 18 2HD PRO 18 11.032 2.440 -11.558 121 H GLY 19 H GLY 19 12.284 5.534 -7.074 122 HA2 GLY 19 1HA GLY 19 12.798 3.591 -5.024 123 HA3 GLY 19 2HA GLY 19 12.717 5.334 -4.813 124 HA PRO 20 HA PRO 20 8.892 3.087 -3.109 125 HB2 PRO 20 1HB PRO 20 9.438 3.370 -0.465 126 HB3 PRO 20 2HB PRO 20 9.948 1.963 -1.406 127 HG2 PRO 20 1HG PRO 20 11.522 4.382 -0.610 128 HG3 PRO 20 2HG PRO 20 12.007 2.676 -0.594 129 HD2 PRO 20 1HD PRO 20 12.742 4.381 -2.564 130 HD3 PRO 20 2HD PRO 20 12.458 2.653 -2.854 131 H ALA 21 H ALA 21 7.128 4.308 -2.809 132 HA ALA 21 HA ALA 21 7.192 7.096 -2.828 133 HB1 ALA 21 1HB ALA 21 4.994 5.203 -2.017 134 HB2 ALA 21 2HB ALA 21 4.774 6.942 -2.214 135 HB3 ALA 21 3HB ALA 21 5.244 5.951 -3.595 136 HA PRO 22 HA PRO 22 8.330 7.657 1.484 137 HB2 PRO 22 1HB PRO 22 8.725 10.334 1.270 138 HB3 PRO 22 2HB PRO 22 9.917 9.142 0.739 139 HG2 PRO 22 1HG PRO 22 7.917 10.671 -0.880 140 HG3 PRO 22 2HG PRO 22 9.619 10.325 -1.240 141 HD2 PRO 22 1HD PRO 22 7.582 8.921 -2.342 142 HD3 PRO 22 2HD PRO 22 9.159 8.191 -1.980 143 H ASN 23 H ASN 23 7.642 9.515 3.085 144 HA ASN 23 HA ASN 23 5.891 10.171 4.408 145 HB2 ASN 23 1HB ASN 23 4.920 11.344 1.793 146 HB3 ASN 23 2HB ASN 23 4.510 11.903 3.412 147 HD21 ASN 23 1HD2 ASN 23 6.734 12.127 4.745 148 HD22 ASN 23 2HD2 ASN 23 7.869 13.174 3.970 149 H LEU 24 H LEU 24 5.542 7.548 3.597 150 HA LEU 24 HA LEU 24 2.913 7.148 2.523 151 HB2 LEU 24 1HB LEU 24 4.707 5.518 2.195 152 HB3 LEU 24 2HB LEU 24 4.766 5.233 3.933 153 HG LEU 24 HG LEU 24 2.469 4.327 3.829 154 HD11 LEU 24 1HD1 LEU 24 2.816 4.900 0.902 155 HD12 LEU 24 2HD1 LEU 24 1.499 5.380 1.972 156 HD13 LEU 24 3HD1 LEU 24 1.677 3.691 1.496 157 HD21 LEU 24 1HD2 LEU 24 3.097 2.265 2.485 158 HD22 LEU 24 2HD2 LEU 24 4.183 2.715 3.800 159 HD23 LEU 24 3HD2 LEU 24 4.617 3.087 2.130 160 H ARG 25 H ARG 25 1.275 7.922 3.729 161 HA ARG 25 HA ARG 25 1.192 7.171 6.576 162 HB2 ARG 25 1HB ARG 25 -0.359 9.386 5.229 163 HB3 ARG 25 2HB ARG 25 -0.242 9.070 6.955 164 HG2 ARG 25 1HG ARG 25 2.193 9.698 5.331 165 HG3 ARG 25 2HG ARG 25 1.152 10.976 5.960 166 HD2 ARG 25 1HD ARG 25 2.300 8.809 7.700 167 HD3 ARG 25 2HD ARG 25 3.145 10.325 7.388 168 HE ARG 25 HE ARG 25 0.816 11.238 8.261 169 HH11 ARG 25 2HH1 ARG 25 2.812 8.662 9.486 170 HH12 ARG 25 1HH1 ARG 25 2.304 8.874 11.129 171 HH21 ARG 25 2HH2 ARG 25 0.140 11.527 10.421 172 HH22 ARG 25 1HH2 ARG 25 0.784 10.504 11.659 173 H ALA 26 H ALA 26 -1.002 6.761 7.452 174 HA ALA 26 HA ALA 26 -3.093 6.010 5.630 175 HB1 ALA 26 1HB ALA 26 -2.128 3.710 7.250 176 HB2 ALA 26 2HB ALA 26 -3.001 3.728 5.717 177 HB3 ALA 26 3HB ALA 26 -1.278 4.103 5.755 178 H TYR 27 H TYR 27 -4.975 6.344 6.616 179 HA TYR 27 HA TYR 27 -5.224 5.858 9.486 180 HB2 TYR 27 1HB TYR 27 -6.406 8.075 9.738 181 HB3 TYR 27 2HB TYR 27 -4.667 8.178 9.482 182 HD1 TYR 27 2HD TYR 27 -3.793 8.858 7.248 183 HD2 TYR 27 1HD TYR 27 -7.938 9.030 8.192 184 HE1 TYR 27 2HE TYR 27 -4.159 10.366 5.339 185 HE2 TYR 27 1HE TYR 27 -8.316 10.537 6.285 186 HH TYR 27 HH TYR 27 -7.404 11.587 4.558 187 H ALA 28 H ALA 28 -7.341 5.476 10.188 188 HA ALA 28 HA ALA 28 -9.145 4.621 8.071 189 HB1 ALA 28 1HB ALA 28 -9.470 2.955 9.503 190 HB2 ALA 28 2HB ALA 28 -8.612 3.815 10.783 191 HB3 ALA 28 3HB ALA 28 -10.337 4.089 10.539 192 H ALA 29 H ALA 29 -10.458 6.125 7.262 193 HA ALA 29 HA ALA 29 -11.303 8.417 8.760 194 HB1 ALA 29 1HB ALA 29 -12.348 7.467 6.099 195 HB2 ALA 29 2HB ALA 29 -12.447 9.095 6.771 196 HB3 ALA 29 3HB ALA 29 -10.883 8.427 6.303 197 H SER 30 H SER 30 -12.790 5.388 7.729 198 HA SER 30 HA SER 30 -14.965 5.882 9.631 199 HB2 SER 30 1HB SER 30 -15.248 5.228 6.711 200 HB3 SER 30 2HB SER 30 -16.489 4.733 7.863 201 HG SER 30 HG SER 30 -16.510 7.011 8.517 202 HA PRO 31 HA PRO 31 -14.371 1.723 10.895 203 HB2 PRO 31 1HB PRO 31 -16.900 0.951 11.508 204 HB3 PRO 31 2HB PRO 31 -15.977 2.089 12.496 205 HG2 PRO 31 1HG PRO 31 -18.085 2.640 10.443 206 HG3 PRO 31 2HG PRO 31 -17.856 3.381 12.037 207 HD2 PRO 31 1HD PRO 31 -17.068 4.586 9.743 208 HD3 PRO 31 2HD PRO 31 -16.204 4.799 11.279 209 H THR 32 H THR 32 -15.731 2.450 7.999 210 HA THR 32 HA THR 32 -15.927 -0.390 7.258 211 HB THR 32 HB THR 32 -17.687 0.352 5.554 212 HG1 THR 32 1HG THR 32 -18.286 2.419 7.367 213 HG21 THR 32 1HG2 THR 32 -18.175 0.199 8.515 214 HG22 THR 32 2HG2 THR 32 -18.441 -1.037 7.285 215 HG23 THR 32 3HG2 THR 32 -19.506 0.366 7.370 216 H SER 33 H SER 33 -14.373 2.480 6.820 217 HA SER 33 HA SER 33 -13.359 1.623 4.207 218 HB2 SER 33 1HB SER 33 -13.721 3.633 3.145 219 HB3 SER 33 2HB SER 33 -15.122 3.612 4.216 220 HG SER 33 HG SER 33 -13.829 5.598 4.197 221 H ILE 34 H ILE 34 -11.390 3.147 3.644 222 HA ILE 34 HA ILE 34 -9.879 4.022 5.943 223 HB ILE 34 HB ILE 34 -8.962 1.631 4.344 224 HG12 ILE 34 1HG1 ILE 34 -9.543 1.997 7.291 225 HG13 ILE 34 2HG1 ILE 34 -10.527 1.091 6.147 226 HG21 ILE 34 1HG2 ILE 34 -6.970 2.718 4.603 227 HG22 ILE 34 2HG2 ILE 34 -7.490 3.556 6.064 228 HG23 ILE 34 3HG2 ILE 34 -7.040 1.853 6.138 229 HD11 ILE 34 1HD1 ILE 34 -8.319 0.208 7.700 230 HD12 ILE 34 2HD1 ILE 34 -9.359 -0.721 6.620 231 HD13 ILE 34 3HD1 ILE 34 -7.908 0.060 5.991 232 H THR 35 H THR 35 -8.618 5.680 5.387 233 HA THR 35 HA THR 35 -8.177 6.178 2.526 234 HB THR 35 HB THR 35 -8.111 8.065 4.886 235 HG1 THR 35 1HG THR 35 -10.204 7.571 4.180 236 HG21 THR 35 1HG2 THR 35 -7.578 9.837 3.398 237 HG22 THR 35 2HG2 THR 35 -7.766 8.799 1.984 238 HG23 THR 35 3HG2 THR 35 -6.407 8.558 3.082 239 H VAL 36 H VAL 36 -6.163 6.477 1.684 240 HA VAL 36 HA VAL 36 -3.872 6.334 3.522 241 HB VAL 36 HB VAL 36 -4.049 4.797 0.929 242 HG11 VAL 36 1HG1 VAL 36 -1.918 4.031 1.322 243 HG12 VAL 36 2HG1 VAL 36 -1.802 5.677 1.947 244 HG13 VAL 36 3HG1 VAL 36 -2.016 4.323 3.058 245 HG21 VAL 36 1HG2 VAL 36 -4.843 3.006 2.010 246 HG22 VAL 36 2HG2 VAL 36 -3.799 3.272 3.406 247 HG23 VAL 36 3HG2 VAL 36 -5.325 4.145 3.267 248 H THR 37 H THR 37 -2.297 7.756 3.102 249 HA THR 37 HA THR 37 -2.324 9.123 0.490 250 HB THR 37 HB THR 37 -1.550 11.175 1.646 251 HG1 THR 37 1HG THR 37 -1.852 9.495 3.896 252 HG21 THR 37 1HG2 THR 37 -4.037 10.589 3.109 253 HG22 THR 37 2HG2 THR 37 -4.095 10.274 1.374 254 HG23 THR 37 3HG2 THR 37 -3.671 11.880 1.965 255 H TRP 38 H TRP 38 -0.453 9.146 -0.587 256 HA TRP 38 HA TRP 38 2.040 8.668 0.891 257 HB2 TRP 38 1HB TRP 38 2.803 7.148 -0.907 258 HB3 TRP 38 2HB TRP 38 1.389 6.526 -0.060 259 HD1 TRP 38 HD TRP 38 2.475 7.919 -3.452 260 HE1 TRP 38 1HE TRP 38 0.656 7.370 -5.188 261 HE3 TRP 38 3HE TRP 38 -1.110 6.067 -0.313 262 HZ2 TRP 38 2HZ TRP 38 -1.954 6.296 -5.222 263 HZ3 TRP 38 3HZ TRP 38 -3.240 5.301 -1.277 264 HH2 TRP 38 HH TRP 38 -3.652 5.415 -3.681 265 H GLU 39 H GLU 39 3.989 9.233 -0.390 266 HA GLU 39 HA GLU 39 3.414 11.493 -2.191 267 HB2 GLU 39 1HB GLU 39 5.544 11.081 -0.116 268 HB3 GLU 39 2HB GLU 39 5.805 12.198 -1.449 269 HG2 GLU 39 1HG GLU 39 3.370 12.388 0.282 270 HG3 GLU 39 2HG GLU 39 4.900 13.121 0.760 271 H THR 40 H THR 40 5.194 11.967 -3.761 272 HA THR 40 HA THR 40 5.910 9.511 -5.124 273 HB THR 40 HB THR 40 6.289 12.401 -5.928 274 HG1 THR 40 1HG THR 40 4.469 12.097 -7.114 275 HG21 THR 40 1HG2 THR 40 7.917 10.629 -6.874 276 HG22 THR 40 2HG2 THR 40 7.086 11.698 -8.005 277 HG23 THR 40 3HG2 THR 40 6.516 10.045 -7.771 278 HA PRO 41 HA PRO 41 10.050 9.359 -3.601 279 HB2 PRO 41 1HB PRO 41 11.095 7.721 -5.496 280 HB3 PRO 41 2HB PRO 41 10.024 7.145 -4.213 281 HG2 PRO 41 1HG PRO 41 9.383 7.805 -7.062 282 HG3 PRO 41 2HG PRO 41 8.839 6.431 -6.082 283 HD2 PRO 41 1HD PRO 41 7.288 8.604 -6.533 284 HD3 PRO 41 2HD PRO 41 7.207 7.669 -5.026 285 H VAL 42 H VAL 42 11.545 10.895 -3.789 286 HA VAL 42 HA VAL 42 11.807 12.530 -6.094 287 HB VAL 42 HB VAL 42 13.732 13.541 -4.928 288 HG11 VAL 42 1HG1 VAL 42 12.502 14.499 -3.122 289 HG12 VAL 42 2HG1 VAL 42 11.360 14.168 -4.426 290 HG13 VAL 42 3HG1 VAL 42 11.438 13.097 -3.027 291 HG21 VAL 42 1HG2 VAL 42 13.222 11.495 -2.773 292 HG22 VAL 42 2HG2 VAL 42 14.562 11.425 -3.917 293 HG23 VAL 42 3HG2 VAL 42 14.450 12.760 -2.770 294 H SER 43 H SER 43 13.434 9.665 -4.970 295 HA SER 43 HA SER 43 15.542 9.938 -6.970 296 HB2 SER 43 1HB SER 43 15.933 9.110 -4.571 297 HB3 SER 43 2HB SER 43 15.173 7.607 -5.093 298 HG SER 43 HG SER 43 17.280 8.713 -6.591 299 H GLY 44 H GLY 44 16.075 7.944 -8.270 300 HA2 GLY 44 1HA GLY 44 15.017 5.803 -9.082 301 HA3 GLY 44 2HA GLY 44 13.562 6.768 -9.285 302 H ASN 45 H ASN 45 13.897 5.759 -11.505 303 HA ASN 45 HA ASN 45 15.475 7.635 -13.134 304 HB2 ASN 45 1HB ASN 45 15.282 4.640 -13.364 305 HB3 ASN 45 2HB ASN 45 15.717 5.636 -14.749 306 HD21 ASN 45 1HD2 ASN 45 17.667 4.244 -14.542 307 HD22 ASN 45 2HD2 ASN 45 18.946 4.810 -13.528 308 H GLY 46 H GLY 46 13.979 8.898 -14.057 309 HA2 GLY 46 1HA GLY 46 12.437 9.300 -15.792 310 HA3 GLY 46 2HA GLY 46 11.957 7.611 -15.727 311 H GLU 47 H GLU 47 10.021 9.499 -15.910 312 HA GLU 47 HA GLU 47 9.029 10.095 -13.246 313 HB2 GLU 47 1HB GLU 47 7.263 11.312 -14.361 314 HB3 GLU 47 2HB GLU 47 8.807 11.745 -15.082 315 HG2 GLU 47 1HG GLU 47 8.314 10.072 -16.888 316 HG3 GLU 47 2HG GLU 47 6.690 9.940 -16.216 317 H ILE 48 H ILE 48 6.901 9.454 -12.542 318 HA ILE 48 HA ILE 48 6.362 6.683 -13.177 319 HB ILE 48 HB ILE 48 4.876 8.470 -11.251 320 HG12 ILE 48 1HG1 ILE 48 7.311 8.350 -10.752 321 HG13 ILE 48 2HG1 ILE 48 6.316 7.606 -9.505 322 HG21 ILE 48 1HG2 ILE 48 4.907 5.533 -11.798 323 HG22 ILE 48 2HG2 ILE 48 4.533 6.125 -10.180 324 HG23 ILE 48 3HG2 ILE 48 3.535 6.613 -11.550 325 HD11 ILE 48 1HD1 ILE 48 8.354 6.325 -10.053 326 HD12 ILE 48 2HD1 ILE 48 6.865 5.414 -10.306 327 HD13 ILE 48 3HD1 ILE 48 7.729 6.091 -11.685 328 H GLN 49 H GLN 49 4.242 5.885 -13.716 329 HA GLN 49 HA GLN 49 2.646 7.828 -15.252 330 HB2 GLN 49 1HB GLN 49 3.250 4.931 -15.846 331 HB3 GLN 49 2HB GLN 49 2.007 5.849 -16.684 332 HG2 GLN 49 1HG GLN 49 4.227 5.654 -17.851 333 HG3 GLN 49 2HG GLN 49 3.583 7.285 -17.671 334 HE21 GLN 49 1HE2 GLN 49 5.824 4.966 -16.241 335 HE22 GLN 49 2HE2 GLN 49 6.927 6.142 -15.621 336 H ASN 50 H ASN 50 2.582 4.946 -13.223 337 HA ASN 50 HA ASN 50 -0.132 5.645 -12.398 338 HB2 ASN 50 1HB ASN 50 0.678 3.117 -13.761 339 HB3 ASN 50 2HB ASN 50 -0.512 3.016 -12.467 340 HD21 ASN 50 1HD2 ASN 50 -2.484 2.955 -13.234 341 HD22 ASN 50 2HD2 ASN 50 -3.083 3.841 -14.590 342 H TYR 51 H TYR 51 -0.791 4.538 -10.408 343 HA TYR 51 HA TYR 51 1.503 3.636 -8.797 344 HB2 TYR 51 1HB TYR 51 -0.647 5.619 -8.068 345 HB3 TYR 51 2HB TYR 51 0.307 4.784 -6.847 346 HD1 TYR 51 1HD TYR 51 2.856 5.039 -6.961 347 HD2 TYR 51 2HD TYR 51 0.164 7.567 -9.075 348 HE1 TYR 51 1HE TYR 51 4.627 6.732 -7.180 349 HE2 TYR 51 2HE TYR 51 1.927 9.266 -9.300 350 HH TYR 51 HH TYR 51 4.152 9.650 -9.094 351 H LYS 52 H LYS 52 1.204 1.620 -8.152 352 HA LYS 52 HA LYS 52 -1.481 0.503 -8.031 353 HB2 LYS 52 1HB LYS 52 0.662 -0.601 -9.052 354 HB3 LYS 52 2HB LYS 52 1.006 -1.040 -7.384 355 HG2 LYS 52 1HG LYS 52 -0.874 -2.409 -7.229 356 HG3 LYS 52 2HG LYS 52 -1.636 -1.677 -8.643 357 HD2 LYS 52 1HD LYS 52 0.966 -3.146 -8.883 358 HD3 LYS 52 2HD LYS 52 -0.569 -4.018 -8.876 359 HE2 LYS 52 1HE LYS 52 0.122 -1.770 -10.764 360 HE3 LYS 52 2HE LYS 52 0.269 -3.483 -11.153 361 HZ1 LYS 52 1HZ LYS 52 -1.804 -2.556 -11.979 362 HZ2 LYS 52 2HZ LYS 52 -2.250 -2.093 -10.415 363 HZ3 LYS 52 3HZ LYS 52 -2.106 -3.733 -10.802 364 H LEU 53 H LEU 53 -2.559 0.046 -6.208 365 HA LEU 53 HA LEU 53 -1.118 0.326 -3.652 366 HB2 LEU 53 1HB LEU 53 -2.526 2.211 -3.838 367 HB3 LEU 53 2HB LEU 53 -3.868 1.241 -4.443 368 HG LEU 53 HG LEU 53 -4.056 0.197 -2.196 369 HD11 LEU 53 1HD1 LEU 53 -1.611 0.831 -1.652 370 HD12 LEU 53 2HD1 LEU 53 -2.817 0.892 -0.367 371 HD13 LEU 53 3HD1 LEU 53 -2.294 2.380 -1.156 372 HD21 LEU 53 1HD2 LEU 53 -5.267 2.330 -3.030 373 HD22 LEU 53 2HD2 LEU 53 -4.230 3.167 -1.874 374 HD23 LEU 53 3HD2 LEU 53 -5.339 1.913 -1.318 375 H TYR 54 H TYR 54 -1.149 -1.409 -2.389 376 HA TYR 54 HA TYR 54 -3.057 -3.554 -3.007 377 HB2 TYR 54 1HB TYR 54 -0.477 -3.670 -1.430 378 HB3 TYR 54 2HB TYR 54 -1.499 -5.044 -1.838 379 HD1 TYR 54 2HD TYR 54 0.125 -2.192 -3.641 380 HD2 TYR 54 1HD TYR 54 -0.743 -6.357 -3.567 381 HE1 TYR 54 2HE TYR 54 1.366 -2.482 -5.745 382 HE2 TYR 54 1HE TYR 54 0.497 -6.658 -5.670 383 HH TYR 54 HH TYR 54 2.377 -5.424 -6.891 384 H TYR 55 H TYR 55 -4.234 -4.581 -1.375 385 HA TYR 55 HA TYR 55 -4.119 -3.547 1.333 386 HB2 TYR 55 1HB TYR 55 -6.396 -2.799 1.429 387 HB3 TYR 55 2HB TYR 55 -5.628 -1.988 0.068 388 HD1 TYR 55 1HD TYR 55 -6.023 -2.958 -2.267 389 HD2 TYR 55 2HD TYR 55 -8.362 -4.031 1.122 390 HE1 TYR 55 1HE TYR 55 -7.804 -3.767 -3.758 391 HE2 TYR 55 2HE TYR 55 -10.148 -4.843 -0.360 392 HH TYR 55 HH TYR 55 -9.773 -4.791 -3.889 393 H MET 56 H MET 56 -4.629 -5.073 2.788 394 HA MET 56 HA MET 56 -6.432 -7.233 2.159 395 HB2 MET 56 1HB MET 56 -4.974 -8.994 2.044 396 HB3 MET 56 2HB MET 56 -3.974 -7.746 1.311 397 HG2 MET 56 1HG MET 56 -3.077 -7.349 3.676 398 HG3 MET 56 2HG MET 56 -3.810 -8.903 4.066 399 HE1 MET 56 1HE MET 56 -0.512 -9.967 4.328 400 HE2 MET 56 2HE MET 56 -2.211 -10.056 4.793 401 HE3 MET 56 3HE MET 56 -1.541 -11.240 3.670 402 H GLU 57 H GLU 57 -6.760 -8.683 4.033 403 HA GLU 57 HA GLU 57 -6.777 -7.133 6.469 404 HB2 GLU 57 1HB GLU 57 -8.012 -9.683 5.545 405 HB3 GLU 57 2HB GLU 57 -7.823 -9.441 7.276 406 HG2 GLU 57 1HG GLU 57 -9.065 -7.319 7.083 407 HG3 GLU 57 2HG GLU 57 -9.317 -7.655 5.371 408 H LYS 58 H LYS 58 -5.576 -7.451 8.267 409 HA LYS 58 HA LYS 58 -3.088 -8.721 8.088 410 HB2 LYS 58 1HB LYS 58 -4.022 -6.887 9.737 411 HB3 LYS 58 2HB LYS 58 -4.373 -8.279 10.752 412 HG2 LYS 58 1HG LYS 58 -2.290 -7.684 11.499 413 HG3 LYS 58 2HG LYS 58 -1.884 -8.896 10.281 414 HD2 LYS 58 1HD LYS 58 -1.795 -6.829 8.681 415 HD3 LYS 58 2HD LYS 58 -1.584 -5.924 10.182 416 HE2 LYS 58 1HE LYS 58 0.586 -6.433 9.337 417 HE3 LYS 58 2HE LYS 58 0.309 -7.463 10.740 418 HZ1 LYS 58 1HZ LYS 58 1.093 -8.995 9.282 419 HZ2 LYS 58 2HZ LYS 58 0.513 -8.185 7.915 420 HZ3 LYS 58 3HZ LYS 58 -0.546 -9.089 8.875 421 H GLY 59 H GLY 59 -3.006 -10.861 7.662 422 HA2 GLY 59 1HA GLY 59 -2.800 -13.030 8.662 423 HA3 GLY 59 2HA GLY 59 -4.171 -12.645 9.691 424 H THR 60 H THR 60 -3.838 -12.291 6.179 425 HA THR 60 HA THR 60 -6.006 -14.263 5.863 426 HB THR 60 HB THR 60 -5.683 -11.976 3.949 427 HG1 THR 60 1HG THR 60 -6.238 -10.668 5.516 428 HG21 THR 60 1HG2 THR 60 -8.313 -12.447 4.122 429 HG22 THR 60 2HG2 THR 60 -7.712 -14.036 4.595 430 HG23 THR 60 3HG2 THR 60 -7.253 -13.347 3.038 431 H ASP 61 H ASP 61 -3.105 -12.811 4.512 432 HA ASP 61 HA ASP 61 -1.511 -13.665 3.121 433 HB2 ASP 61 1HB ASP 61 -2.080 -15.824 4.388 434 HB3 ASP 61 2HB ASP 61 -3.061 -16.245 2.987 435 H LYS 62 H LYS 62 -4.012 -12.381 2.220 436 HA LYS 62 HA LYS 62 -3.880 -13.248 -0.582 437 HB2 LYS 62 1HB LYS 62 -5.944 -14.160 0.407 438 HB3 LYS 62 2HB LYS 62 -6.421 -12.540 0.899 439 HG2 LYS 62 1HG LYS 62 -7.624 -13.116 -1.079 440 HG3 LYS 62 2HG LYS 62 -6.436 -11.878 -1.494 441 HD2 LYS 62 1HD LYS 62 -4.915 -13.737 -2.242 442 HD3 LYS 62 2HD LYS 62 -6.280 -14.838 -2.037 443 HE2 LYS 62 1HE LYS 62 -6.244 -14.240 -4.326 444 HE3 LYS 62 2HE LYS 62 -7.571 -13.336 -3.599 445 HZ1 LYS 62 1HZ LYS 62 -4.863 -12.272 -4.196 446 HZ2 LYS 62 2HZ LYS 62 -6.115 -11.401 -3.467 447 HZ3 LYS 62 3HZ LYS 62 -6.276 -11.935 -5.064 448 H GLU 63 H GLU 63 -2.436 -11.452 -0.826 449 HA GLU 63 HA GLU 63 -3.274 -8.786 -0.236 450 HB2 GLU 63 1HB GLU 63 -0.866 -9.834 -0.632 451 HB3 GLU 63 2HB GLU 63 -1.178 -9.327 -2.286 452 HG2 GLU 63 1HG GLU 63 -1.137 -7.101 -1.763 453 HG3 GLU 63 2HG GLU 63 -1.615 -7.373 -0.089 454 H GLN 64 H GLN 64 -3.845 -7.139 -1.705 455 HA GLN 64 HA GLN 64 -4.889 -8.106 -4.285 456 HB2 GLN 64 1HB GLN 64 -6.146 -6.308 -2.237 457 HB3 GLN 64 2HB GLN 64 -6.601 -6.180 -3.931 458 HG2 GLN 64 1HG GLN 64 -6.994 -8.733 -3.762 459 HG3 GLN 64 2HG GLN 64 -7.033 -8.435 -2.024 460 HE21 GLN 64 1HE2 GLN 64 -8.770 -7.426 -1.127 461 HE22 GLN 64 2HE2 GLN 64 -10.202 -7.023 -2.005 462 H ASP 65 H ASP 65 -5.521 -5.975 -5.629 463 HA ASP 65 HA ASP 65 -3.557 -3.867 -5.355 464 HB2 ASP 65 1HB ASP 65 -2.394 -4.218 -7.377 465 HB3 ASP 65 2HB ASP 65 -2.456 -5.806 -6.617 466 H VAL 66 H VAL 66 -4.370 -1.988 -6.045 467 HA VAL 66 HA VAL 66 -6.643 -2.053 -7.918 468 HB VAL 66 HB VAL 66 -7.699 -0.219 -6.710 469 HG11 VAL 66 1HG1 VAL 66 -8.798 -1.779 -5.578 470 HG12 VAL 66 2HG1 VAL 66 -7.437 -2.884 -5.783 471 HG13 VAL 66 3HG1 VAL 66 -7.512 -1.828 -4.372 472 HG21 VAL 66 1HG2 VAL 66 -5.700 0.834 -5.799 473 HG22 VAL 66 2HG2 VAL 66 -6.863 0.495 -4.518 474 HG23 VAL 66 3HG2 VAL 66 -5.450 -0.540 -4.723 475 H ASP 67 H ASP 67 -6.534 -0.673 -9.586 476 HA ASP 67 HA ASP 67 -4.134 0.861 -9.965 477 HB2 ASP 67 1HB ASP 67 -4.830 1.148 -12.183 478 HB3 ASP 67 2HB ASP 67 -5.486 -0.428 -11.748 479 H VAL 68 H VAL 68 -3.840 2.839 -9.205 480 HA VAL 68 HA VAL 68 -6.168 4.639 -9.021 481 HB VAL 68 HB VAL 68 -3.821 4.549 -7.119 482 HG11 VAL 68 1HG1 VAL 68 -5.766 6.047 -5.932 483 HG12 VAL 68 2HG1 VAL 68 -4.381 6.699 -6.811 484 HG13 VAL 68 3HG1 VAL 68 -5.935 6.511 -7.624 485 HG21 VAL 68 1HG2 VAL 68 -5.570 3.871 -5.461 486 HG22 VAL 68 2HG2 VAL 68 -6.680 3.645 -6.812 487 HG23 VAL 68 3HG2 VAL 68 -5.222 2.661 -6.695 488 H SER 69 H SER 69 -5.853 6.789 -9.563 489 HA SER 69 HA SER 69 -3.394 7.321 -11.078 490 HB2 SER 69 1HB SER 69 -5.403 7.537 -12.408 491 HB3 SER 69 2HB SER 69 -6.130 8.608 -11.210 492 HG SER 69 HG SER 69 -4.367 10.072 -11.663 493 H SER 70 H SER 70 -5.470 8.595 -8.543 494 HA SER 70 HA SER 70 -3.898 10.988 -8.198 495 HB2 SER 70 1HB SER 70 -6.186 9.778 -6.640 496 HB3 SER 70 2HB SER 70 -5.369 11.258 -6.139 497 HG SER 70 HG SER 70 -5.926 11.595 -8.663 498 H HIS 71 H HIS 71 -3.176 11.498 -5.863 499 HA HIS 71 HA HIS 71 -1.227 9.504 -5.142 500 HB2 HIS 71 1HB HIS 71 -1.824 12.305 -4.254 501 HB3 HIS 71 2HB HIS 71 -0.754 11.291 -3.291 502 HD1 HIS 71 1HD HIS 71 -0.595 13.729 -5.839 503 HD2 HIS 71 2HD HIS 71 1.383 10.140 -5.151 504 HE1 HIS 71 1HE HIS 71 1.510 13.847 -7.210 505 HE2 HIS 71 2HE HIS 71 2.648 11.630 -6.845 506 H SER 72 H SER 72 -4.231 10.752 -3.834 507 HA SER 72 HA SER 72 -4.000 8.861 -1.586 508 HB2 SER 72 1HB SER 72 -5.626 10.269 -0.403 509 HB3 SER 72 2HB SER 72 -4.223 11.216 -0.896 510 HG SER 72 HG SER 72 -5.409 12.135 -2.511 511 H TYR 73 H TYR 73 -5.659 7.440 -1.155 512 HA TYR 73 HA TYR 73 -7.966 7.430 -2.961 513 HB2 TYR 73 1HB TYR 73 -6.246 5.927 -3.928 514 HB3 TYR 73 2HB TYR 73 -6.247 4.996 -2.434 515 HD1 TYR 73 2HD TYR 73 -8.333 5.988 -5.329 516 HD2 TYR 73 1HD TYR 73 -7.876 3.329 -2.039 517 HE1 TYR 73 2HE TYR 73 -10.169 4.604 -6.200 518 HE2 TYR 73 1HE TYR 73 -9.711 1.937 -2.902 519 HH TYR 73 HH TYR 73 -11.690 2.961 -5.584 520 H THR 74 H THR 74 -9.800 6.354 -2.157 521 HA THR 74 HA THR 74 -9.683 5.748 0.727 522 HB THR 74 HB THR 74 -12.072 6.821 -0.784 523 HG1 THR 74 1HG THR 74 -9.945 8.077 0.514 524 HG21 THR 74 1HG2 THR 74 -12.569 5.459 1.230 525 HG22 THR 74 2HG2 THR 74 -13.050 7.147 1.404 526 HG23 THR 74 3HG2 THR 74 -11.580 6.564 2.184 527 H ILE 75 H ILE 75 -9.953 3.662 1.134 528 HA ILE 75 HA ILE 75 -11.379 1.983 -0.787 529 HB ILE 75 HB ILE 75 -9.760 1.182 1.634 530 HG12 ILE 75 1HG1 ILE 75 -8.941 0.749 -1.219 531 HG13 ILE 75 2HG1 ILE 75 -8.632 2.299 -0.443 532 HG21 ILE 75 1HG2 ILE 75 -11.057 -0.426 -0.554 533 HG22 ILE 75 2HG2 ILE 75 -9.809 -1.068 0.513 534 HG23 ILE 75 3HG2 ILE 75 -11.348 -0.525 1.183 535 HD11 ILE 75 1HD1 ILE 75 -7.608 0.716 1.423 536 HD12 ILE 75 2HD1 ILE 75 -7.395 -0.342 0.029 537 HD13 ILE 75 3HD1 ILE 75 -6.678 1.268 0.031 538 H ASN 76 H ASN 76 -13.456 1.564 -0.482 539 HA ASN 76 HA ASN 76 -14.553 1.726 2.240 540 HB2 ASN 76 1HB ASN 76 -16.158 1.706 -0.313 541 HB3 ASN 76 2HB ASN 76 -16.663 2.244 1.286 542 HD21 ASN 76 1HD2 ASN 76 -15.293 4.075 2.177 543 HD22 ASN 76 2HD2 ASN 76 -14.915 5.350 1.074 544 H GLY 77 H GLY 77 -16.552 0.250 2.523 545 HA2 GLY 77 1HA GLY 77 -17.496 -1.858 2.528 546 HA3 GLY 77 2HA GLY 77 -16.545 -2.240 1.100 547 H LEU 78 H LEU 78 -15.817 -1.437 4.500 548 HA LEU 78 HA LEU 78 -14.236 -3.915 4.640 549 HB2 LEU 78 1HB LEU 78 -13.459 -1.305 5.925 550 HB3 LEU 78 2HB LEU 78 -12.528 -2.801 5.905 551 HG LEU 78 HG LEU 78 -13.150 -1.132 3.470 552 HD11 LEU 78 1HD1 LEU 78 -11.433 0.171 3.979 553 HD12 LEU 78 2HD1 LEU 78 -10.380 -1.233 4.150 554 HD13 LEU 78 3HD1 LEU 78 -11.297 -0.646 5.537 555 HD21 LEU 78 1HD2 LEU 78 -12.791 -3.557 3.082 556 HD22 LEU 78 2HD2 LEU 78 -11.203 -3.406 3.834 557 HD23 LEU 78 3HD2 LEU 78 -11.559 -2.536 2.341 558 H LYS 79 H LYS 79 -13.845 -4.654 6.880 559 HA LYS 79 HA LYS 79 -16.289 -4.578 8.380 560 HB2 LYS 79 1HB LYS 79 -13.642 -5.960 8.770 561 HB3 LYS 79 2HB LYS 79 -14.909 -6.033 9.988 562 HG2 LYS 79 1HG LYS 79 -16.426 -7.020 8.328 563 HG3 LYS 79 2HG LYS 79 -15.122 -6.985 7.138 564 HD2 LYS 79 1HD LYS 79 -13.825 -8.309 9.004 565 HD3 LYS 79 2HD LYS 79 -15.455 -8.707 9.551 566 HE2 LYS 79 1HE LYS 79 -14.587 -9.080 6.699 567 HE3 LYS 79 2HE LYS 79 -14.336 -10.323 7.924 568 HZ1 LYS 79 1HZ LYS 79 -16.750 -10.270 8.347 569 HZ2 LYS 79 2HZ LYS 79 -16.372 -10.753 6.771 570 HZ3 LYS 79 3HZ LYS 79 -16.939 -9.186 7.062 571 H LYS 80 H LYS 80 -16.115 -4.343 10.848 572 HA LYS 80 HA LYS 80 -14.831 -1.767 11.380 573 HB2 LYS 80 1HB LYS 80 -16.892 -3.245 13.025 574 HB3 LYS 80 2HB LYS 80 -16.341 -1.595 13.280 575 HG2 LYS 80 1HG LYS 80 -18.256 -1.149 12.164 576 HG3 LYS 80 2HG LYS 80 -17.184 -1.337 10.775 577 HD2 LYS 80 1HD LYS 80 -17.877 -3.699 10.598 578 HD3 LYS 80 2HD LYS 80 -18.996 -3.452 11.941 579 HE2 LYS 80 1HE LYS 80 -20.173 -1.745 10.629 580 HE3 LYS 80 2HE LYS 80 -19.063 -2.016 9.287 581 HZ1 LYS 80 1HZ LYS 80 -20.397 -3.622 8.595 582 HZ2 LYS 80 2HZ LYS 80 -21.410 -3.425 9.935 583 HZ3 LYS 80 3HZ LYS 80 -20.100 -4.492 10.016 584 H TYR 81 H TYR 81 -13.392 -1.441 13.035 585 HA TYR 81 HA TYR 81 -11.691 -1.950 14.457 586 HB2 TYR 81 1HB TYR 81 -13.835 -2.644 15.764 587 HB3 TYR 81 2HB TYR 81 -13.285 -4.288 15.459 588 HD1 TYR 81 2HD TYR 81 -11.661 -1.087 16.525 589 HD2 TYR 81 1HD TYR 81 -12.228 -5.238 17.266 590 HE1 TYR 81 2HE TYR 81 -10.160 -0.939 18.468 591 HE2 TYR 81 1HE TYR 81 -10.730 -5.102 19.211 592 HH TYR 81 HH TYR 81 -9.347 -2.010 20.252 593 H THR 82 H THR 82 -11.347 -2.967 11.926 594 HA THR 82 HA THR 82 -9.957 -5.506 12.477 595 HB THR 82 HB THR 82 -11.411 -4.753 9.934 596 HG1 THR 82 1HG THR 82 -12.942 -5.634 11.157 597 HG21 THR 82 1HG2 THR 82 -10.572 -6.662 8.906 598 HG22 THR 82 2HG2 THR 82 -10.095 -7.398 10.437 599 HG23 THR 82 3HG2 THR 82 -9.167 -6.050 9.778 600 H GLU 83 H GLU 83 -7.880 -5.646 11.815 601 HA GLU 83 HA GLU 83 -6.586 -3.237 10.923 602 HB2 GLU 83 1HB GLU 83 -5.746 -5.163 12.543 603 HB3 GLU 83 2HB GLU 83 -5.144 -5.845 11.039 604 HG2 GLU 83 1HG GLU 83 -3.773 -3.950 10.631 605 HG3 GLU 83 2HG GLU 83 -4.523 -3.049 11.946 606 H TYR 84 H TYR 84 -5.517 -2.887 8.991 607 HA TYR 84 HA TYR 84 -5.769 -4.914 6.894 608 HB2 TYR 84 1HB TYR 84 -6.956 -2.159 6.847 609 HB3 TYR 84 2HB TYR 84 -6.439 -2.922 5.348 610 HD1 TYR 84 1HD TYR 84 -8.810 -3.114 8.155 611 HD2 TYR 84 2HD TYR 84 -7.672 -4.752 4.397 612 HE1 TYR 84 1HE TYR 84 -10.950 -4.320 8.039 613 HE2 TYR 84 2HE TYR 84 -9.809 -5.961 4.270 614 HH TYR 84 HH TYR 84 -12.226 -5.697 6.863 615 H SER 85 H SER 85 -3.989 -5.076 5.687 616 HA SER 85 HA SER 85 -1.785 -3.273 6.204 617 HB2 SER 85 1HB SER 85 -1.722 -5.878 5.918 618 HB3 SER 85 2HB SER 85 -1.667 -5.500 4.196 619 HG SER 85 HG SER 85 0.224 -4.364 4.526 620 H PHE 86 H PHE 86 -0.656 -2.091 4.627 621 HA PHE 86 HA PHE 86 -1.860 -1.820 1.987 622 HB2 PHE 86 1HB PHE 86 -1.563 0.492 3.915 623 HB3 PHE 86 2HB PHE 86 -1.928 0.665 2.201 624 HD1 PHE 86 2HD PHE 86 -4.030 -0.612 1.355 625 HD2 PHE 86 1HD PHE 86 -3.286 0.343 5.436 626 HE1 PHE 86 2HE PHE 86 -6.430 -0.844 1.844 627 HE2 PHE 86 1HE PHE 86 -5.685 0.112 5.931 628 HZ PHE 86 HZ PHE 86 -7.261 -0.481 4.133 629 H ARG 87 H ARG 87 -0.432 -1.213 0.415 630 HA ARG 87 HA ARG 87 2.178 -0.166 1.133 631 HB2 ARG 87 1HB ARG 87 3.389 -1.963 -0.052 632 HB3 ARG 87 2HB ARG 87 2.543 -2.553 1.372 633 HG2 ARG 87 1HG ARG 87 0.946 -3.675 0.115 634 HG3 ARG 87 2HG ARG 87 1.281 -2.724 -1.334 635 HD2 ARG 87 1HD ARG 87 2.360 -4.648 -1.901 636 HD3 ARG 87 2HD ARG 87 3.671 -3.827 -1.055 637 HE ARG 87 HE ARG 87 2.050 -5.502 0.634 638 HH11 ARG 87 2HH1 ARG 87 4.803 -5.368 -1.493 639 HH12 ARG 87 1HH1 ARG 87 5.572 -6.756 -0.798 640 HH21 ARG 87 2HH2 ARG 87 3.052 -7.331 1.557 641 HH22 ARG 87 1HH2 ARG 87 4.575 -7.873 0.936 642 H VAL 88 H VAL 88 2.946 1.161 -0.401 643 HA VAL 88 HA VAL 88 1.453 1.322 -2.921 644 HB VAL 88 HB VAL 88 3.270 3.324 -1.575 645 HG11 VAL 88 1HG1 VAL 88 2.825 4.840 -3.350 646 HG12 VAL 88 2HG1 VAL 88 3.374 3.334 -4.088 647 HG13 VAL 88 3HG1 VAL 88 1.658 3.741 -4.083 648 HG21 VAL 88 1HG2 VAL 88 0.536 4.113 -2.166 649 HG22 VAL 88 2HG2 VAL 88 0.620 2.721 -1.086 650 HG23 VAL 88 3HG2 VAL 88 1.443 4.221 -0.657 651 H VAL 89 H VAL 89 2.354 0.812 -4.813 652 HA VAL 89 HA VAL 89 5.272 0.389 -4.891 653 HB VAL 89 HB VAL 89 3.139 -1.118 -6.412 654 HG11 VAL 89 1HG1 VAL 89 5.555 -2.462 -6.645 655 HG12 VAL 89 2HG1 VAL 89 4.745 -1.523 -7.901 656 HG13 VAL 89 3HG1 VAL 89 5.973 -0.766 -6.885 657 HG21 VAL 89 1HG2 VAL 89 3.173 -1.853 -4.143 658 HG22 VAL 89 2HG2 VAL 89 4.030 -3.060 -5.101 659 HG23 VAL 89 3HG2 VAL 89 4.936 -1.904 -4.125 660 H ALA 90 H ALA 90 6.410 1.265 -6.546 661 HA ALA 90 HA ALA 90 5.035 3.206 -8.208 662 HB1 ALA 90 1HB ALA 90 6.979 4.105 -7.318 663 HB2 ALA 90 2HB ALA 90 7.908 2.632 -7.595 664 HB3 ALA 90 3HB ALA 90 7.466 3.665 -8.955 665 H TYR 91 H TYR 91 4.441 2.862 -10.243 666 HA TYR 91 HA TYR 91 5.710 0.649 -11.720 667 HB2 TYR 91 1HB TYR 91 2.836 1.415 -11.434 668 HB3 TYR 91 2HB TYR 91 3.372 0.706 -12.953 669 HD1 TYR 91 2HD TYR 91 2.847 0.109 -9.373 670 HD2 TYR 91 1HD TYR 91 4.060 -1.612 -13.071 671 HE1 TYR 91 2HE TYR 91 2.659 -2.135 -8.384 672 HE2 TYR 91 1HE TYR 91 3.874 -3.861 -12.092 673 HH TYR 91 HH TYR 91 2.576 -4.355 -8.859 674 H ASN 92 H ASN 92 7.022 1.548 -13.173 675 HA ASN 92 HA ASN 92 6.011 3.840 -14.727 676 HB2 ASN 92 1HB ASN 92 8.359 4.508 -15.059 677 HB3 ASN 92 2HB ASN 92 7.936 4.463 -13.350 678 HD21 ASN 92 1HD2 ASN 92 10.418 4.451 -13.470 679 HD22 ASN 92 2HD2 ASN 92 11.155 2.890 -13.398 680 H LYS 93 H LYS 93 7.173 3.995 -16.921 681 HA LYS 93 HA LYS 93 6.398 2.016 -18.602 682 HB2 LYS 93 1HB LYS 93 8.096 2.850 -20.210 683 HB3 LYS 93 2HB LYS 93 7.180 4.140 -19.443 684 HG2 LYS 93 1HG LYS 93 9.025 4.605 -17.947 685 HG3 LYS 93 2HG LYS 93 9.941 3.257 -18.626 686 HD2 LYS 93 1HD LYS 93 10.305 4.352 -20.639 687 HD3 LYS 93 2HD LYS 93 8.940 5.447 -20.404 688 HE2 LYS 93 1HE LYS 93 10.152 6.597 -18.632 689 HE3 LYS 93 2HE LYS 93 11.504 5.480 -18.814 690 HZ1 LYS 93 1HZ LYS 93 12.112 7.370 -20.012 691 HZ2 LYS 93 2HZ LYS 93 10.579 7.559 -20.701 692 HZ3 LYS 93 3HZ LYS 93 11.580 6.291 -21.202 693 H HIS 94 H HIS 94 9.506 2.213 -16.923 694 HA HIS 94 HA HIS 94 10.723 -0.011 -18.130 695 HB2 HIS 94 1HB HIS 94 11.187 0.904 -15.291 696 HB3 HIS 94 2HB HIS 94 12.320 0.072 -16.352 697 HD1 HIS 94 1HD HIS 94 13.577 1.489 -18.086 698 HD2 HIS 94 2HD HIS 94 10.909 3.664 -15.760 699 HE1 HIS 94 1HE HIS 94 14.116 3.905 -18.527 700 HE2 HIS 94 2HE HIS 94 12.546 5.201 -17.044 701 H GLY 95 H GLY 95 9.522 0.085 -14.772 702 HA2 GLY 95 1HA GLY 95 7.796 -2.107 -14.953 703 HA3 GLY 95 2HA GLY 95 9.385 -2.724 -14.527 704 HA PRO 96 HA PRO 96 7.024 -1.409 -10.689 705 HB2 PRO 96 1HB PRO 96 7.071 -3.837 -9.475 706 HB3 PRO 96 2HB PRO 96 5.782 -3.338 -10.578 707 HG2 PRO 96 1HG PRO 96 8.170 -5.063 -11.112 708 HG3 PRO 96 2HG PRO 96 6.490 -5.284 -11.636 709 HD2 PRO 96 1HD PRO 96 8.404 -4.281 -13.267 710 HD3 PRO 96 2HD PRO 96 6.703 -3.786 -13.375 711 H GLY 97 H GLY 97 8.285 -0.441 -9.233 712 HA2 GLY 97 1HA GLY 97 11.002 -1.433 -8.808 713 HA3 GLY 97 2HA GLY 97 10.380 0.135 -8.316 714 H VAL 98 H VAL 98 11.607 -0.551 -6.329 715 HA VAL 98 HA VAL 98 11.045 -2.593 -4.635 716 HB VAL 98 HB VAL 98 11.494 -1.036 -2.735 717 HG11 VAL 98 1HG1 VAL 98 13.190 -1.922 -4.731 718 HG12 VAL 98 2HG1 VAL 98 13.604 -0.216 -4.551 719 HG13 VAL 98 3HG1 VAL 98 13.668 -1.293 -3.155 720 HG21 VAL 98 1HG2 VAL 98 11.146 1.148 -2.935 721 HG22 VAL 98 2HG2 VAL 98 12.310 1.237 -4.257 722 HG23 VAL 98 3HG2 VAL 98 10.613 0.898 -4.597 723 H SER 99 H SER 99 9.773 -2.527 -2.551 724 HA SER 99 HA SER 99 7.124 -1.314 -2.987 725 HB2 SER 99 1HB SER 99 6.979 -3.704 -3.455 726 HB3 SER 99 2HB SER 99 7.723 -4.077 -1.900 727 HG SER 99 HG SER 99 5.773 -2.651 -1.178 728 H THR 100 H THR 100 6.493 -0.028 -1.396 729 HA THR 100 HA THR 100 8.007 0.558 0.855 730 HB THR 100 HB THR 100 5.761 1.494 1.765 731 HG1 THR 100 1HG THR 100 4.384 0.258 0.432 732 HG21 THR 100 1HG2 THR 100 5.962 3.440 0.384 733 HG22 THR 100 2HG2 THR 100 6.728 2.512 -0.905 734 HG23 THR 100 3HG2 THR 100 7.581 2.780 0.615 735 HA PRO 101 HA PRO 101 7.142 -2.510 3.874 736 HB2 PRO 101 1HB PRO 101 7.086 -1.039 6.155 737 HB3 PRO 101 2HB PRO 101 8.577 -1.384 5.270 738 HG2 PRO 101 1HG PRO 101 6.884 1.084 5.238 739 HG3 PRO 101 2HG PRO 101 8.650 0.940 5.296 740 HD2 PRO 101 1HD PRO 101 7.309 1.494 3.010 741 HD3 PRO 101 2HD PRO 101 8.820 0.563 3.029 742 H ASP 102 H ASP 102 5.339 -3.550 4.436 743 HA ASP 102 HA ASP 102 2.787 -2.806 4.034 744 HB2 ASP 102 1HB ASP 102 3.749 -4.493 6.355 745 HB3 ASP 102 2HB ASP 102 2.097 -4.453 5.744 746 H VAL 103 H VAL 103 1.267 -1.531 4.922 747 HA VAL 103 HA VAL 103 1.950 -0.156 7.439 748 HB VAL 103 HB VAL 103 0.476 0.922 5.035 749 HG11 VAL 103 1HG1 VAL 103 -0.675 2.162 6.495 750 HG12 VAL 103 2HG1 VAL 103 0.370 1.702 7.841 751 HG13 VAL 103 3HG1 VAL 103 0.839 3.023 6.770 752 HG21 VAL 103 1HG2 VAL 103 3.148 0.821 5.459 753 HG22 VAL 103 2HG2 VAL 103 2.341 2.071 4.513 754 HG23 VAL 103 3HG2 VAL 103 2.753 2.371 6.201 755 H ALA 104 H ALA 104 0.815 -1.939 8.496 756 HA ALA 104 HA ALA 104 -1.951 -2.412 8.054 757 HB1 ALA 104 1HB ALA 104 -0.106 -3.084 10.332 758 HB2 ALA 104 2HB ALA 104 -1.810 -3.540 10.315 759 HB3 ALA 104 3HB ALA 104 -0.722 -4.152 9.070 760 H VAL 105 H VAL 105 -3.741 -1.591 9.039 761 HA VAL 105 HA VAL 105 -3.432 0.337 11.208 762 HB VAL 105 HB VAL 105 -3.339 1.624 9.061 763 HG11 VAL 105 1HG1 VAL 105 -6.205 0.725 8.783 764 HG12 VAL 105 2HG1 VAL 105 -5.362 1.876 7.744 765 HG13 VAL 105 3HG1 VAL 105 -4.863 0.184 7.776 766 HG21 VAL 105 1HG2 VAL 105 -5.148 2.039 11.309 767 HG22 VAL 105 2HG2 VAL 105 -4.007 3.151 10.553 768 HG23 VAL 105 3HG2 VAL 105 -5.616 2.936 9.864 769 H ARG 106 H ARG 106 -5.187 0.473 12.552 770 HA ARG 106 HA ARG 106 -7.226 -1.571 12.175 771 HB2 ARG 106 1HB ARG 106 -5.874 -1.039 14.359 772 HB3 ARG 106 2HB ARG 106 -7.088 0.215 14.573 773 HG2 ARG 106 1HG ARG 106 -8.831 -1.583 14.337 774 HG3 ARG 106 2HG ARG 106 -7.515 -2.755 14.424 775 HD2 ARG 106 1HD ARG 106 -8.227 -0.706 16.519 776 HD3 ARG 106 2HD ARG 106 -8.535 -2.439 16.610 777 HE ARG 106 HE ARG 106 -6.273 -2.804 17.024 778 HH11 ARG 106 2HH1 ARG 106 -6.924 0.561 16.412 779 HH12 ARG 106 1HH1 ARG 106 -5.391 1.101 17.012 780 HH21 ARG 106 2HH2 ARG 106 -4.251 -2.105 17.816 781 HH22 ARG 106 1HH2 ARG 106 -3.871 -0.416 17.809 782 H THR 107 H THR 107 -9.210 -1.151 11.473 783 HA THR 107 HA THR 107 -10.003 1.507 10.794 784 HB THR 107 HB THR 107 -12.253 0.310 10.312 785 HG1 THR 107 1HG THR 107 -12.306 -1.724 10.861 786 HG21 THR 107 1HG2 THR 107 -10.058 0.790 8.801 787 HG22 THR 107 2HG2 THR 107 -11.539 0.060 8.182 788 HG23 THR 107 3HG2 THR 107 -10.181 -0.962 8.648 789 H LEU 108 H LEU 108 -11.886 2.620 11.546 790 HA LEU 108 HA LEU 108 -12.083 2.841 14.314 791 HB2 LEU 108 1HB LEU 108 -14.214 3.604 12.327 792 HB3 LEU 108 2HB LEU 108 -13.970 4.279 13.937 793 HG LEU 108 HG LEU 108 -12.019 4.584 11.657 794 HD11 LEU 108 1HD1 LEU 108 -13.049 6.464 10.976 795 HD12 LEU 108 2HD1 LEU 108 -13.557 6.906 12.606 796 HD13 LEU 108 3HD1 LEU 108 -14.473 5.708 11.692 797 HD21 LEU 108 1HD2 LEU 108 -12.107 5.456 14.491 798 HD22 LEU 108 2HD2 LEU 108 -11.468 6.594 13.305 799 HD23 LEU 108 3HD2 LEU 108 -10.731 5.001 13.486 800 H SER 109 H SER 109 -13.494 2.076 15.841 801 HA SER 109 HA SER 109 -14.920 -0.360 15.126 802 HB2 SER 109 1HB SER 109 -14.892 -0.910 17.409 803 HB3 SER 109 2HB SER 109 -13.361 -0.067 17.172 804 HG SER 109 HG SER 109 -15.746 0.922 18.332 805 H ASP 110 H ASP 110 -17.078 -0.576 15.065 806 HA ASP 110 HA ASP 110 -18.696 1.813 15.264 807 HB2 ASP 110 1HB ASP 110 -20.495 0.427 14.362 808 HB3 ASP 110 2HB ASP 110 -19.029 0.231 13.406 809 H SER 111 H SER 111 -17.696 1.242 17.736 810 HA SER 111 HA SER 111 -19.807 -0.143 19.213 811 HB2 SER 111 1HB SER 111 -17.377 -0.617 19.679 812 HB3 SER 111 2HB SER 111 -17.238 1.027 20.300 813 HG SER 111 HG SER 111 -17.699 -0.158 22.062 814 H GLY 112 H GLY 112 -21.526 1.207 19.382 815 HA2 GLY 112 1HA GLY 112 -21.018 3.913 20.446 816 HA3 GLY 112 2HA GLY 112 -22.417 3.472 19.479 817 HA PRO 113 HA PRO 113 -24.033 3.477 23.725 818 HB2 PRO 113 1HB PRO 113 -26.591 3.987 22.969 819 HB3 PRO 113 2HB PRO 113 -25.371 5.254 23.146 820 HG2 PRO 113 1HG PRO 113 -26.337 3.887 20.664 821 HG3 PRO 113 2HG PRO 113 -26.006 5.608 20.938 822 HD2 PRO 113 1HD PRO 113 -24.263 3.974 19.663 823 HD3 PRO 113 2HD PRO 113 -23.733 5.344 20.660 824 H SER 114 H SER 114 -24.784 1.753 24.802 825 HA SER 114 HA SER 114 -26.465 -0.202 23.420 826 HB2 SER 114 1HB SER 114 -25.101 -2.078 24.081 827 HB3 SER 114 2HB SER 114 -24.072 -0.935 23.218 828 HG SER 114 HG SER 114 -23.018 -0.495 25.018 829 H SER 115 H SER 115 -27.802 -1.409 24.768 830 HA SER 115 HA SER 115 -28.387 -0.175 27.299 831 HB2 SER 115 1HB SER 115 -30.101 -1.080 25.635 832 HB3 SER 115 2HB SER 115 -29.656 -2.687 26.208 833 HG SER 115 HG SER 115 -30.070 -1.412 28.381 834 H GLY 116 H GLY 116 -26.638 -0.609 28.643 835 HA2 GLY 116 1HA GLY 116 -25.227 -1.859 29.981 836 HA3 GLY 116 2HA GLY 116 -26.723 -2.693 30.374 Start of MODEL 17 1 H1 GLY 1 H GLY 1 -4.623 -24.391 13.259 2 HA2 GLY 1 1HA GLY 1 -3.302 -26.847 12.402 3 HA3 GLY 1 2HA GLY 1 -4.043 -25.876 11.138 4 H SER 2 H SER 2 -1.264 -26.512 11.377 5 HA SER 2 HA SER 2 -0.135 -23.846 11.926 6 HB2 SER 2 1HB SER 2 0.894 -25.405 13.407 7 HB3 SER 2 2HB SER 2 1.111 -26.590 12.119 8 HG SER 2 HG SER 2 2.563 -25.061 11.137 9 H SER 3 H SER 3 0.420 -26.712 9.876 10 HA SER 3 HA SER 3 1.053 -26.929 7.701 11 HB2 SER 3 1HB SER 3 -0.091 -24.133 7.551 12 HB3 SER 3 2HB SER 3 0.437 -25.052 6.142 13 HG SER 3 HG SER 3 -1.834 -25.312 7.667 14 H GLY 4 H GLY 4 3.045 -26.254 9.523 15 HA2 GLY 4 1HA GLY 4 4.696 -24.150 9.152 16 HA3 GLY 4 2HA GLY 4 5.306 -25.785 9.361 17 H SER 5 H SER 5 5.022 -23.139 7.255 18 HA SER 5 HA SER 5 6.804 -24.245 5.362 19 HB2 SER 5 1HB SER 5 4.839 -25.511 4.632 20 HB3 SER 5 2HB SER 5 3.919 -24.016 4.466 21 HG SER 5 HG SER 5 5.606 -25.173 2.718 22 H SER 6 H SER 6 7.650 -22.691 4.014 23 HA SER 6 HA SER 6 7.134 -19.971 4.750 24 HB2 SER 6 1HB SER 6 9.031 -21.320 2.850 25 HB3 SER 6 2HB SER 6 8.842 -19.567 2.827 26 HG SER 6 HG SER 6 9.881 -21.227 4.835 27 H GLY 7 H GLY 7 7.176 -21.512 1.527 28 HA2 GLY 7 1HA GLY 7 5.390 -21.401 -0.037 29 HA3 GLY 7 2HA GLY 7 4.737 -20.031 0.848 30 H ARG 8 H ARG 8 4.955 -18.125 -0.102 31 HA ARG 8 HA ARG 8 5.939 -17.554 -2.523 32 HB2 ARG 8 1HB ARG 8 6.564 -15.519 -0.438 33 HB3 ARG 8 2HB ARG 8 5.784 -15.321 -2.002 34 HG2 ARG 8 1HG ARG 8 3.993 -14.986 -0.651 35 HG3 ARG 8 2HG ARG 8 3.886 -16.738 -0.828 36 HD2 ARG 8 1HD ARG 8 4.661 -15.101 1.515 37 HD3 ARG 8 2HD ARG 8 3.740 -16.603 1.438 38 HE ARG 8 HE ARG 8 5.739 -17.812 1.461 39 HH11 ARG 8 2HH1 ARG 8 6.304 -14.377 1.476 40 HH12 ARG 8 1HH1 ARG 8 7.964 -14.520 1.953 41 HH21 ARG 8 2HH2 ARG 8 7.923 -18.014 2.089 42 HH22 ARG 8 1HH2 ARG 8 8.883 -16.589 2.301 43 H VAL 9 H VAL 9 7.871 -16.657 -3.401 44 HA VAL 9 HA VAL 9 10.297 -17.377 -1.887 45 HB VAL 9 HB VAL 9 11.397 -17.816 -4.049 46 HG11 VAL 9 1HG1 VAL 9 8.889 -19.379 -3.469 47 HG12 VAL 9 2HG1 VAL 9 10.137 -19.909 -4.598 48 HG13 VAL 9 3HG1 VAL 9 10.522 -19.707 -2.888 49 HG21 VAL 9 1HG2 VAL 9 8.646 -17.323 -5.180 50 HG22 VAL 9 2HG2 VAL 9 10.112 -16.397 -5.505 51 HG23 VAL 9 3HG2 VAL 9 9.976 -18.061 -6.073 52 H GLU 10 H GLU 10 12.290 -16.239 -2.965 53 HA GLU 10 HA GLU 10 11.653 -13.381 -3.003 54 HB2 GLU 10 1HB GLU 10 14.034 -14.990 -2.232 55 HB3 GLU 10 2HB GLU 10 14.319 -13.375 -2.867 56 HG2 GLU 10 1HG GLU 10 14.176 -12.908 -0.648 57 HG3 GLU 10 2HG GLU 10 12.485 -12.713 -1.108 58 H THR 11 H THR 11 13.053 -12.004 -4.432 59 HA THR 11 HA THR 11 14.036 -13.249 -6.853 60 HB THR 11 HB THR 11 11.751 -11.279 -7.049 61 HG1 THR 11 1HG THR 11 10.577 -13.014 -6.744 62 HG21 THR 11 1HG2 THR 11 13.005 -11.004 -8.987 63 HG22 THR 11 2HG2 THR 11 11.831 -12.231 -9.464 64 HG23 THR 11 3HG2 THR 11 13.477 -12.702 -9.042 65 H GLN 12 H GLN 12 15.268 -11.832 -8.165 66 HA GLN 12 HA GLN 12 16.186 -9.451 -6.722 67 HB2 GLN 12 1HB GLN 12 17.470 -11.043 -8.947 68 HB3 GLN 12 2HB GLN 12 18.162 -9.591 -8.237 69 HG2 GLN 12 1HG GLN 12 19.272 -11.214 -7.077 70 HG3 GLN 12 2HG GLN 12 17.908 -10.912 -6.002 71 HE21 GLN 12 1HE2 GLN 12 19.370 -13.127 -8.232 72 HE22 GLN 12 2HE2 GLN 12 18.370 -14.485 -7.859 73 HA PRO 13 HA PRO 13 13.872 -7.141 -9.792 74 HB2 PRO 13 1HB PRO 13 14.291 -4.723 -8.632 75 HB3 PRO 13 2HB PRO 13 13.083 -5.872 -8.047 76 HG2 PRO 13 1HG PRO 13 15.842 -5.336 -7.017 77 HG3 PRO 13 2HG PRO 13 14.338 -5.582 -6.111 78 HD2 PRO 13 1HD PRO 13 16.183 -7.538 -6.431 79 HD3 PRO 13 2HD PRO 13 14.444 -7.876 -6.313 80 H GLU 14 H GLU 14 14.446 -4.878 -10.852 81 HA GLU 14 HA GLU 14 17.085 -5.237 -12.031 82 HB2 GLU 14 1HB GLU 14 14.618 -3.721 -12.793 83 HB3 GLU 14 2HB GLU 14 16.163 -3.265 -13.496 84 HG2 GLU 14 1HG GLU 14 15.183 -4.737 -15.030 85 HG3 GLU 14 2HG GLU 14 16.413 -5.681 -14.192 86 H VAL 15 H VAL 15 17.905 -2.836 -12.801 87 HA VAL 15 HA VAL 15 18.434 -1.458 -10.262 88 HB VAL 15 HB VAL 15 20.406 -0.511 -11.343 89 HG11 VAL 15 1HG1 VAL 15 21.447 -2.876 -11.999 90 HG12 VAL 15 2HG1 VAL 15 21.106 -2.419 -10.328 91 HG13 VAL 15 3HG1 VAL 15 19.971 -3.438 -11.214 92 HG21 VAL 15 1HG2 VAL 15 19.229 -1.808 -13.757 93 HG22 VAL 15 2HG2 VAL 15 19.959 -0.212 -13.580 94 HG23 VAL 15 3HG2 VAL 15 20.981 -1.649 -13.632 95 H GLN 16 H GLN 16 17.344 -0.946 -13.565 96 HA GLN 16 HA GLN 16 17.069 1.912 -13.186 97 HB2 GLN 16 1HB GLN 16 16.191 1.908 -15.483 98 HB3 GLN 16 2HB GLN 16 17.736 1.076 -15.374 99 HG2 GLN 16 1HG GLN 16 16.346 -1.067 -15.179 100 HG3 GLN 16 2HG GLN 16 15.005 -0.083 -15.763 101 HE21 GLN 16 1HE2 GLN 16 17.990 -1.619 -16.557 102 HE22 GLN 16 2HE2 GLN 16 17.923 -1.348 -18.262 103 H LEU 17 H LEU 17 15.634 1.204 -11.232 104 HA LEU 17 HA LEU 17 12.841 1.265 -12.160 105 HB2 LEU 17 1HB LEU 17 14.146 -0.468 -10.142 106 HB3 LEU 17 2HB LEU 17 12.534 0.135 -9.760 107 HG LEU 17 HG LEU 17 11.533 -1.092 -11.441 108 HD11 LEU 17 1HD1 LEU 17 14.226 -1.085 -12.760 109 HD12 LEU 17 2HD1 LEU 17 12.694 -0.456 -13.365 110 HD13 LEU 17 3HD1 LEU 17 12.952 -2.198 -13.260 111 HD21 LEU 17 1HD2 LEU 17 12.933 -2.438 -9.635 112 HD22 LEU 17 2HD2 LEU 17 13.768 -3.011 -11.079 113 HD23 LEU 17 3HD2 LEU 17 12.028 -3.250 -10.912 114 HA PRO 18 HA PRO 18 12.201 4.787 -9.624 115 HB2 PRO 18 1HB PRO 18 9.717 4.352 -8.619 116 HB3 PRO 18 2HB PRO 18 10.009 4.772 -10.311 117 HG2 PRO 18 1HG PRO 18 9.506 2.088 -9.085 118 HG3 PRO 18 2HG PRO 18 8.851 2.774 -10.583 119 HD2 PRO 18 1HD PRO 18 10.908 1.013 -10.565 120 HD3 PRO 18 2HD PRO 18 10.758 2.294 -11.785 121 H GLY 19 H GLY 19 11.300 5.419 -7.337 122 HA2 GLY 19 1HA GLY 19 12.523 3.545 -5.414 123 HA3 GLY 19 2HA GLY 19 12.482 5.291 -5.218 124 HA PRO 20 HA PRO 20 8.876 3.119 -3.025 125 HB2 PRO 20 1HB PRO 20 9.720 3.497 -0.473 126 HB3 PRO 20 2HB PRO 20 10.126 2.058 -1.416 127 HG2 PRO 20 1HG PRO 20 11.769 4.505 -0.892 128 HG3 PRO 20 2HG PRO 20 12.261 2.801 -0.871 129 HD2 PRO 20 1HD PRO 20 12.757 4.435 -2.972 130 HD3 PRO 20 2HD PRO 20 12.450 2.697 -3.166 131 H ALA 21 H ALA 21 7.157 4.369 -2.635 132 HA ALA 21 HA ALA 21 7.278 7.172 -2.672 133 HB1 ALA 21 1HB ALA 21 5.212 6.552 -3.327 134 HB2 ALA 21 2HB ALA 21 5.181 5.141 -2.269 135 HB3 ALA 21 3HB ALA 21 4.841 6.743 -1.613 136 HA PRO 22 HA PRO 22 8.540 7.696 1.601 137 HB2 PRO 22 1HB PRO 22 8.873 10.384 1.422 138 HB3 PRO 22 2HB PRO 22 10.066 9.227 0.822 139 HG2 PRO 22 1HG PRO 22 7.971 10.742 -0.687 140 HG3 PRO 22 2HG PRO 22 9.663 10.439 -1.121 141 HD2 PRO 22 1HD PRO 22 7.612 9.014 -2.167 142 HD3 PRO 22 2HD PRO 22 9.217 8.310 -1.883 143 H ASN 23 H ASN 23 7.900 9.644 3.198 144 HA ASN 23 HA ASN 23 6.145 10.097 4.639 145 HB2 ASN 23 1HB ASN 23 5.856 11.665 2.126 146 HB3 ASN 23 2HB ASN 23 4.535 11.751 3.287 147 HD21 ASN 23 1HD2 ASN 23 7.953 11.352 4.000 148 HD22 ASN 23 2HD2 ASN 23 8.144 12.856 4.828 149 H LEU 24 H LEU 24 5.643 7.600 3.883 150 HA LEU 24 HA LEU 24 3.047 7.356 2.643 151 HB2 LEU 24 1HB LEU 24 4.760 5.658 2.282 152 HB3 LEU 24 2HB LEU 24 4.790 5.309 4.009 153 HG LEU 24 HG LEU 24 2.409 4.560 3.813 154 HD11 LEU 24 1HD1 LEU 24 1.803 3.891 1.405 155 HD12 LEU 24 2HD1 LEU 24 2.980 5.113 0.925 156 HD13 LEU 24 3HD1 LEU 24 1.578 5.571 1.891 157 HD21 LEU 24 1HD2 LEU 24 4.371 3.024 3.803 158 HD22 LEU 24 2HD2 LEU 24 4.328 3.057 2.040 159 HD23 LEU 24 3HD2 LEU 24 2.964 2.399 2.944 160 H ARG 25 H ARG 25 1.353 8.041 3.797 161 HA ARG 25 HA ARG 25 1.199 7.272 6.636 162 HB2 ARG 25 1HB ARG 25 -0.577 9.370 5.467 163 HB3 ARG 25 2HB ARG 25 0.038 9.212 7.107 164 HG2 ARG 25 1HG ARG 25 1.791 9.912 4.770 165 HG3 ARG 25 2HG ARG 25 0.958 11.122 5.749 166 HD2 ARG 25 1HD ARG 25 2.710 9.036 7.003 167 HD3 ARG 25 2HD ARG 25 3.389 10.523 6.344 168 HE ARG 25 HE ARG 25 1.791 10.244 8.739 169 HH11 ARG 25 2HH1 ARG 25 3.076 12.399 6.326 170 HH12 ARG 25 1HH1 ARG 25 2.941 13.809 7.324 171 HH21 ARG 25 2HH2 ARG 25 1.608 12.092 10.064 172 HH22 ARG 25 1HH2 ARG 25 2.107 13.632 9.451 173 H ALA 26 H ALA 26 -1.001 6.814 7.451 174 HA ALA 26 HA ALA 26 -3.044 6.066 5.576 175 HB1 ALA 26 1HB ALA 26 -2.218 3.718 7.156 176 HB2 ALA 26 2HB ALA 26 -2.844 3.820 5.510 177 HB3 ALA 26 3HB ALA 26 -1.147 4.175 5.831 178 H TYR 27 H TYR 27 -4.946 6.368 6.532 179 HA TYR 27 HA TYR 27 -5.257 5.803 9.379 180 HB2 TYR 27 1HB TYR 27 -6.442 8.018 9.670 181 HB3 TYR 27 2HB TYR 27 -4.696 8.117 9.474 182 HD1 TYR 27 2HD TYR 27 -3.738 8.905 7.325 183 HD2 TYR 27 1HD TYR 27 -7.926 8.993 8.074 184 HE1 TYR 27 2HE TYR 27 -4.034 10.477 5.457 185 HE2 TYR 27 1HE TYR 27 -8.233 10.565 6.207 186 HH TYR 27 HH TYR 27 -5.506 11.548 4.167 187 H ALA 28 H ALA 28 -7.353 5.310 9.998 188 HA ALA 28 HA ALA 28 -9.126 4.579 7.818 189 HB1 ALA 28 1HB ALA 28 -9.731 2.912 9.154 190 HB2 ALA 28 2HB ALA 28 -8.536 3.480 10.320 191 HB3 ALA 28 3HB ALA 28 -10.206 4.035 10.428 192 H ALA 29 H ALA 29 -10.382 6.160 7.051 193 HA ALA 29 HA ALA 29 -11.257 8.380 8.608 194 HB1 ALA 29 1HB ALA 29 -11.308 9.144 6.511 195 HB2 ALA 29 2HB ALA 29 -11.428 7.520 5.831 196 HB3 ALA 29 3HB ALA 29 -12.879 8.352 6.389 197 H SER 30 H SER 30 -12.701 5.331 7.622 198 HA SER 30 HA SER 30 -14.907 5.841 9.487 199 HB2 SER 30 1HB SER 30 -15.115 5.213 6.577 200 HB3 SER 30 2HB SER 30 -16.298 4.490 7.666 201 HG SER 30 HG SER 30 -15.714 7.262 7.469 202 HA PRO 31 HA PRO 31 -14.276 1.742 10.913 203 HB2 PRO 31 1HB PRO 31 -16.805 0.897 11.419 204 HB3 PRO 31 2HB PRO 31 -15.978 2.101 12.414 205 HG2 PRO 31 1HG PRO 31 -17.990 2.504 10.234 206 HG3 PRO 31 2HG PRO 31 -17.873 3.306 11.811 207 HD2 PRO 31 1HD PRO 31 -17.007 4.462 9.521 208 HD3 PRO 31 2HD PRO 31 -16.235 4.759 11.092 209 H THR 32 H THR 32 -15.707 2.328 7.960 210 HA THR 32 HA THR 32 -15.691 -0.543 7.295 211 HB THR 32 HB THR 32 -17.490 -0.217 5.711 212 HG1 THR 32 1HG THR 32 -17.884 2.429 6.611 213 HG21 THR 32 1HG2 THR 32 -19.281 -0.016 7.207 214 HG22 THR 32 2HG2 THR 32 -18.425 1.148 8.218 215 HG23 THR 32 3HG2 THR 32 -17.940 -0.547 8.221 216 H SER 33 H SER 33 -14.567 2.596 6.612 217 HA SER 33 HA SER 33 -13.235 1.597 4.186 218 HB2 SER 33 1HB SER 33 -14.288 4.411 4.556 219 HB3 SER 33 2HB SER 33 -13.481 3.773 3.124 220 HG SER 33 HG SER 33 -15.711 3.728 2.820 221 H ILE 34 H ILE 34 -11.319 3.034 3.602 222 HA ILE 34 HA ILE 34 -10.042 4.254 5.929 223 HB ILE 34 HB ILE 34 -8.811 1.992 4.354 224 HG12 ILE 34 1HG1 ILE 34 -9.265 2.219 7.331 225 HG13 ILE 34 2HG1 ILE 34 -10.418 1.457 6.241 226 HG21 ILE 34 1HG2 ILE 34 -6.947 3.254 4.651 227 HG22 ILE 34 2HG2 ILE 34 -7.613 4.111 6.040 228 HG23 ILE 34 3HG2 ILE 34 -6.986 2.474 6.232 229 HD11 ILE 34 1HD1 ILE 34 -7.559 0.573 6.420 230 HD12 ILE 34 2HD1 ILE 34 -8.823 -0.067 7.470 231 HD13 ILE 34 3HD1 ILE 34 -8.935 -0.284 5.724 232 H THR 35 H THR 35 -8.395 5.723 5.429 233 HA THR 35 HA THR 35 -8.208 6.434 2.574 234 HB THR 35 HB THR 35 -8.154 8.268 4.976 235 HG1 THR 35 1HG THR 35 -10.203 8.493 4.533 236 HG21 THR 35 1HG2 THR 35 -6.835 9.544 3.672 237 HG22 THR 35 2HG2 THR 35 -8.318 9.877 2.778 238 HG23 THR 35 3HG2 THR 35 -7.214 8.620 2.219 239 H VAL 36 H VAL 36 -6.263 6.064 1.756 240 HA VAL 36 HA VAL 36 -3.921 6.255 3.534 241 HB VAL 36 HB VAL 36 -4.184 4.685 0.966 242 HG11 VAL 36 1HG1 VAL 36 -2.026 3.690 2.299 243 HG12 VAL 36 2HG1 VAL 36 -1.948 4.873 0.992 244 HG13 VAL 36 3HG1 VAL 36 -1.914 5.410 2.672 245 HG21 VAL 36 1HG2 VAL 36 -5.069 4.073 3.587 246 HG22 VAL 36 2HG2 VAL 36 -5.064 3.033 2.162 247 HG23 VAL 36 3HG2 VAL 36 -3.670 3.056 3.242 248 H THR 37 H THR 37 -2.296 7.616 3.040 249 HA THR 37 HA THR 37 -2.335 8.941 0.414 250 HB THR 37 HB THR 37 -1.848 11.092 1.416 251 HG1 THR 37 1HG THR 37 -1.032 9.748 3.457 252 HG21 THR 37 1HG2 THR 37 -4.195 9.967 2.930 253 HG22 THR 37 2HG2 THR 37 -4.241 10.262 1.191 254 HG23 THR 37 3HG2 THR 37 -3.978 11.602 2.307 255 H TRP 38 H TRP 38 -0.412 9.029 -0.567 256 HA TRP 38 HA TRP 38 2.011 8.653 1.061 257 HB2 TRP 38 1HB TRP 38 2.937 7.270 -0.811 258 HB3 TRP 38 2HB TRP 38 1.581 6.523 0.031 259 HD1 TRP 38 HD TRP 38 2.633 7.839 -3.362 260 HE1 TRP 38 1HE TRP 38 0.804 7.288 -5.087 261 HE3 TRP 38 3HE TRP 38 -1.020 6.208 -0.178 262 HZ2 TRP 38 2HZ TRP 38 -1.838 6.293 -5.096 263 HZ3 TRP 38 3HZ TRP 38 -3.169 5.475 -1.126 264 HH2 TRP 38 HH TRP 38 -3.568 5.518 -3.534 265 H GLU 39 H GLU 39 4.027 9.214 -0.243 266 HA GLU 39 HA GLU 39 3.469 11.606 -1.872 267 HB2 GLU 39 1HB GLU 39 5.497 11.059 0.249 268 HB3 GLU 39 2HB GLU 39 5.933 12.144 -1.063 269 HG2 GLU 39 1HG GLU 39 3.431 12.521 0.545 270 HG3 GLU 39 2HG GLU 39 4.984 13.181 1.053 271 H THR 40 H THR 40 5.235 12.169 -3.416 272 HA THR 40 HA THR 40 5.956 9.801 -4.924 273 HB THR 40 HB THR 40 6.090 12.749 -5.514 274 HG1 THR 40 1HG THR 40 4.109 11.518 -5.807 275 HG21 THR 40 1HG2 THR 40 7.735 10.636 -6.645 276 HG22 THR 40 2HG2 THR 40 7.845 12.384 -6.853 277 HG23 THR 40 3HG2 THR 40 6.751 11.442 -7.865 278 HA PRO 41 HA PRO 41 10.075 9.633 -3.303 279 HB2 PRO 41 1HB PRO 41 11.069 7.860 -5.103 280 HB3 PRO 41 2HB PRO 41 9.996 7.386 -3.780 281 HG2 PRO 41 1HG PRO 41 9.346 7.887 -6.659 282 HG3 PRO 41 2HG PRO 41 8.780 6.588 -5.594 283 HD2 PRO 41 1HD PRO 41 7.273 8.764 -6.166 284 HD3 PRO 41 2HD PRO 41 7.184 7.924 -4.604 285 H VAL 42 H VAL 42 11.183 11.487 -3.638 286 HA VAL 42 HA VAL 42 11.574 12.886 -5.969 287 HB VAL 42 HB VAL 42 13.470 13.960 -4.936 288 HG11 VAL 42 1HG1 VAL 42 12.480 14.670 -2.841 289 HG12 VAL 42 2HG1 VAL 42 11.223 14.474 -4.064 290 HG13 VAL 42 3HG1 VAL 42 11.443 13.243 -2.820 291 HG21 VAL 42 1HG2 VAL 42 13.437 11.941 -2.717 292 HG22 VAL 42 2HG2 VAL 42 14.442 11.719 -4.149 293 HG23 VAL 42 3HG2 VAL 42 14.679 13.128 -3.116 294 H SER 43 H SER 43 12.979 9.893 -5.046 295 HA SER 43 HA SER 43 15.169 10.100 -6.951 296 HB2 SER 43 1HB SER 43 15.328 8.950 -4.663 297 HB3 SER 43 2HB SER 43 14.400 7.637 -5.389 298 HG SER 43 HG SER 43 16.284 6.972 -6.039 299 H GLY 44 H GLY 44 15.484 8.480 -8.624 300 HA2 GLY 44 1HA GLY 44 14.128 6.513 -9.650 301 HA3 GLY 44 2HA GLY 44 12.919 7.770 -9.867 302 H ASN 45 H ASN 45 14.048 6.265 -11.970 303 HA ASN 45 HA ASN 45 15.803 8.202 -13.312 304 HB2 ASN 45 1HB ASN 45 16.176 6.312 -14.949 305 HB3 ASN 45 2HB ASN 45 16.770 6.019 -13.317 306 HD21 ASN 45 1HD2 ASN 45 16.294 3.980 -15.122 307 HD22 ASN 45 2HD2 ASN 45 14.968 3.026 -14.558 308 H GLY 46 H GLY 46 12.864 6.271 -13.797 309 HA2 GLY 46 1HA GLY 46 12.226 7.903 -16.158 310 HA3 GLY 46 2HA GLY 46 11.487 6.362 -15.751 311 H GLU 47 H GLU 47 9.652 8.001 -16.385 312 HA GLU 47 HA GLU 47 8.790 9.561 -14.069 313 HB2 GLU 47 1HB GLU 47 7.146 10.544 -15.518 314 HB3 GLU 47 2HB GLU 47 8.690 10.546 -16.359 315 HG2 GLU 47 1HG GLU 47 8.039 8.756 -17.757 316 HG3 GLU 47 2HG GLU 47 6.616 8.416 -16.774 317 H ILE 48 H ILE 48 7.057 9.064 -12.825 318 HA ILE 48 HA ILE 48 6.147 6.380 -12.768 319 HB ILE 48 HB ILE 48 4.990 8.785 -11.353 320 HG12 ILE 48 1HG1 ILE 48 7.432 8.310 -10.932 321 HG13 ILE 48 2HG1 ILE 48 6.406 8.238 -9.503 322 HG21 ILE 48 1HG2 ILE 48 3.479 7.429 -10.456 323 HG22 ILE 48 2HG2 ILE 48 4.016 6.167 -11.563 324 HG23 ILE 48 3HG2 ILE 48 4.730 6.293 -9.956 325 HD11 ILE 48 1HD1 ILE 48 6.833 6.072 -9.162 326 HD12 ILE 48 2HD1 ILE 48 6.750 5.680 -10.880 327 HD13 ILE 48 3HD1 ILE 48 8.228 6.363 -10.202 328 H GLN 49 H GLN 49 4.783 5.529 -14.189 329 HA GLN 49 HA GLN 49 2.939 7.148 -15.689 330 HB2 GLN 49 1HB GLN 49 3.710 4.261 -15.662 331 HB3 GLN 49 2HB GLN 49 2.204 4.731 -16.441 332 HG2 GLN 49 1HG GLN 49 3.553 6.387 -17.779 333 HG3 GLN 49 2HG GLN 49 4.993 5.596 -17.140 334 HE21 GLN 49 1HE2 GLN 49 5.392 5.232 -19.449 335 HE22 GLN 49 2HE2 GLN 49 4.700 3.835 -20.194 336 H ASN 50 H ASN 50 2.575 4.427 -13.414 337 HA ASN 50 HA ASN 50 0.049 5.592 -12.511 338 HB2 ASN 50 1HB ASN 50 -1.150 3.500 -12.694 339 HB3 ASN 50 2HB ASN 50 -0.487 3.912 -14.273 340 HD21 ASN 50 1HD2 ASN 50 -1.098 1.397 -12.433 341 HD22 ASN 50 2HD2 ASN 50 0.217 0.351 -12.838 342 H TYR 51 H TYR 51 -0.642 4.835 -10.434 343 HA TYR 51 HA TYR 51 1.586 3.770 -8.835 344 HB2 TYR 51 1HB TYR 51 -0.665 5.652 -8.173 345 HB3 TYR 51 2HB TYR 51 0.215 4.805 -6.906 346 HD1 TYR 51 1HD TYR 51 2.830 5.038 -7.013 347 HD2 TYR 51 2HD TYR 51 0.104 7.716 -8.885 348 HE1 TYR 51 1HE TYR 51 4.575 6.770 -7.062 349 HE2 TYR 51 2HE TYR 51 1.842 9.456 -8.939 350 HH TYR 51 HH TYR 51 4.360 9.595 -7.165 351 H LYS 52 H LYS 52 1.318 2.002 -7.570 352 HA LYS 52 HA LYS 52 -1.266 0.612 -7.788 353 HB2 LYS 52 1HB LYS 52 0.877 -0.446 -8.711 354 HB3 LYS 52 2HB LYS 52 1.360 -0.660 -7.034 355 HG2 LYS 52 1HG LYS 52 0.405 -2.701 -7.729 356 HG3 LYS 52 2HG LYS 52 -0.790 -1.921 -6.690 357 HD2 LYS 52 1HD LYS 52 -2.021 -2.719 -8.522 358 HD3 LYS 52 2HD LYS 52 -1.803 -0.998 -8.846 359 HE2 LYS 52 1HE LYS 52 -1.221 -1.835 -10.884 360 HE3 LYS 52 2HE LYS 52 0.356 -1.882 -10.096 361 HZ1 LYS 52 1HZ LYS 52 0.414 -4.052 -10.443 362 HZ2 LYS 52 2HZ LYS 52 -1.111 -4.011 -11.173 363 HZ3 LYS 52 3HZ LYS 52 -0.979 -4.264 -9.506 364 H LEU 53 H LEU 53 -2.380 0.046 -6.001 365 HA LEU 53 HA LEU 53 -1.089 0.411 -3.385 366 HB2 LEU 53 1HB LEU 53 -2.347 2.369 -3.575 367 HB3 LEU 53 2HB LEU 53 -3.688 1.538 -4.361 368 HG LEU 53 HG LEU 53 -4.185 0.424 -2.188 369 HD11 LEU 53 1HD1 LEU 53 -3.204 1.455 -0.155 370 HD12 LEU 53 2HD1 LEU 53 -2.057 2.308 -1.188 371 HD13 LEU 53 3HD1 LEU 53 -2.041 0.545 -1.120 372 HD21 LEU 53 1HD2 LEU 53 -5.381 2.438 -2.942 373 HD22 LEU 53 2HD2 LEU 53 -4.192 3.440 -2.107 374 HD23 LEU 53 3HD2 LEU 53 -5.240 2.361 -1.185 375 H TYR 54 H TYR 54 -1.116 -1.468 -2.359 376 HA TYR 54 HA TYR 54 -3.204 -3.420 -2.965 377 HB2 TYR 54 1HB TYR 54 -0.634 -3.702 -1.394 378 HB3 TYR 54 2HB TYR 54 -1.759 -5.012 -1.737 379 HD1 TYR 54 2HD TYR 54 -0.070 -2.317 -3.716 380 HD2 TYR 54 1HD TYR 54 -1.051 -6.445 -3.388 381 HE1 TYR 54 2HE TYR 54 1.096 -2.757 -5.836 382 HE2 TYR 54 1HE TYR 54 0.114 -6.896 -5.507 383 HH TYR 54 HH TYR 54 2.270 -4.957 -6.868 384 H TYR 55 H TYR 55 -4.223 -4.615 -1.213 385 HA TYR 55 HA TYR 55 -4.173 -3.531 1.449 386 HB2 TYR 55 1HB TYR 55 -6.418 -2.709 1.546 387 HB3 TYR 55 2HB TYR 55 -5.639 -1.929 0.175 388 HD1 TYR 55 1HD TYR 55 -5.959 -3.237 -2.126 389 HD2 TYR 55 2HD TYR 55 -8.543 -3.550 1.239 390 HE1 TYR 55 1HE TYR 55 -7.773 -4.004 -3.599 391 HE2 TYR 55 2HE TYR 55 -10.365 -4.319 -0.224 392 HH TYR 55 HH TYR 55 -10.277 -4.039 -3.569 393 H MET 56 H MET 56 -4.717 -5.059 2.888 394 HA MET 56 HA MET 56 -6.596 -7.148 2.266 395 HB2 MET 56 1HB MET 56 -5.205 -8.963 2.098 396 HB3 MET 56 2HB MET 56 -4.192 -7.743 1.338 397 HG2 MET 56 1HG MET 56 -3.200 -7.394 3.674 398 HG3 MET 56 2HG MET 56 -3.966 -8.929 4.076 399 HE1 MET 56 1HE MET 56 -2.322 -10.073 4.768 400 HE2 MET 56 2HE MET 56 -1.723 -11.289 3.639 401 HE3 MET 56 3HE MET 56 -0.649 -10.012 4.212 402 H GLU 57 H GLU 57 -6.931 -8.616 4.124 403 HA GLU 57 HA GLU 57 -6.825 -7.108 6.585 404 HB2 GLU 57 1HB GLU 57 -8.872 -8.239 6.182 405 HB3 GLU 57 2HB GLU 57 -8.052 -9.750 5.818 406 HG2 GLU 57 1HG GLU 57 -7.647 -10.224 8.035 407 HG3 GLU 57 2HG GLU 57 -7.779 -8.537 8.528 408 H LYS 58 H LYS 58 -5.514 -7.436 8.283 409 HA LYS 58 HA LYS 58 -3.130 -8.881 8.012 410 HB2 LYS 58 1HB LYS 58 -3.864 -6.933 9.648 411 HB3 LYS 58 2HB LYS 58 -4.205 -8.275 10.731 412 HG2 LYS 58 1HG LYS 58 -2.033 -7.645 11.270 413 HG3 LYS 58 2HG LYS 58 -1.822 -9.051 10.224 414 HD2 LYS 58 1HD LYS 58 -1.514 -7.472 8.307 415 HD3 LYS 58 2HD LYS 58 -1.521 -6.146 9.472 416 HE2 LYS 58 1HE LYS 58 0.525 -6.704 10.324 417 HE3 LYS 58 2HE LYS 58 0.331 -8.418 9.958 418 HZ1 LYS 58 1HZ LYS 58 1.247 -6.239 8.217 419 HZ2 LYS 58 2HZ LYS 58 0.461 -7.563 7.517 420 HZ3 LYS 58 3HZ LYS 58 1.877 -7.798 8.411 421 H GLY 59 H GLY 59 -3.297 -11.035 7.610 422 HA2 GLY 59 1HA GLY 59 -3.140 -13.148 8.831 423 HA3 GLY 59 2HA GLY 59 -4.566 -12.652 9.732 424 H THR 60 H THR 60 -3.963 -12.501 6.242 425 HA THR 60 HA THR 60 -6.089 -14.497 5.850 426 HB THR 60 HB THR 60 -5.913 -12.290 3.870 427 HG1 THR 60 1HG THR 60 -6.299 -10.826 5.342 428 HG21 THR 60 1HG2 THR 60 -7.955 -14.168 4.954 429 HG22 THR 60 2HG2 THR 60 -7.572 -13.761 3.281 430 HG23 THR 60 3HG2 THR 60 -8.503 -12.638 4.272 431 H ASP 61 H ASP 61 -3.195 -12.926 4.665 432 HA ASP 61 HA ASP 61 -1.551 -13.639 3.260 433 HB2 ASP 61 1HB ASP 61 -3.009 -16.288 3.227 434 HB3 ASP 61 2HB ASP 61 -1.332 -16.001 2.770 435 H LYS 62 H LYS 62 -4.136 -12.519 2.330 436 HA LYS 62 HA LYS 62 -3.921 -13.378 -0.476 437 HB2 LYS 62 1HB LYS 62 -6.342 -13.152 1.236 438 HB3 LYS 62 2HB LYS 62 -6.485 -12.613 -0.432 439 HG2 LYS 62 1HG LYS 62 -7.157 -14.833 -0.503 440 HG3 LYS 62 2HG LYS 62 -5.480 -14.888 -1.050 441 HD2 LYS 62 1HD LYS 62 -5.407 -16.581 0.470 442 HD3 LYS 62 2HD LYS 62 -5.053 -15.233 1.553 443 HE2 LYS 62 1HE LYS 62 -6.712 -16.350 2.705 444 HE3 LYS 62 2HE LYS 62 -7.635 -15.128 1.834 445 HZ1 LYS 62 1HZ LYS 62 -8.474 -17.523 1.795 446 HZ2 LYS 62 2HZ LYS 62 -7.223 -17.821 0.697 447 HZ3 LYS 62 3HZ LYS 62 -8.422 -16.687 0.325 448 H GLU 63 H GLU 63 -2.427 -11.522 -0.508 449 HA GLU 63 HA GLU 63 -3.296 -8.883 -0.013 450 HB2 GLU 63 1HB GLU 63 -0.893 -9.938 -0.463 451 HB3 GLU 63 2HB GLU 63 -1.235 -9.400 -2.101 452 HG2 GLU 63 1HG GLU 63 -1.142 -7.193 -1.549 453 HG3 GLU 63 2HG GLU 63 -1.656 -7.471 0.114 454 H GLN 64 H GLN 64 -3.918 -7.239 -1.453 455 HA GLN 64 HA GLN 64 -4.999 -8.199 -4.021 456 HB2 GLN 64 1HB GLN 64 -6.202 -6.336 -1.988 457 HB3 GLN 64 2HB GLN 64 -6.727 -6.326 -3.667 458 HG2 GLN 64 1HG GLN 64 -7.213 -8.775 -3.424 459 HG3 GLN 64 2HG GLN 64 -6.916 -8.586 -1.697 460 HE21 GLN 64 1HE2 GLN 64 -9.243 -8.631 -4.019 461 HE22 GLN 64 2HE2 GLN 64 -10.493 -7.771 -3.192 462 H ASP 65 H ASP 65 -5.554 -6.192 -5.460 463 HA ASP 65 HA ASP 65 -3.617 -4.040 -5.192 464 HB2 ASP 65 1HB ASP 65 -2.433 -4.436 -7.169 465 HB3 ASP 65 2HB ASP 65 -2.582 -6.044 -6.464 466 H VAL 66 H VAL 66 -4.429 -2.167 -5.899 467 HA VAL 66 HA VAL 66 -6.715 -2.246 -7.755 468 HB VAL 66 HB VAL 66 -7.693 -0.317 -6.540 469 HG11 VAL 66 1HG1 VAL 66 -7.694 -2.117 -4.317 470 HG12 VAL 66 2HG1 VAL 66 -8.958 -1.826 -5.513 471 HG13 VAL 66 3HG1 VAL 66 -7.714 -3.039 -5.820 472 HG21 VAL 66 1HG2 VAL 66 -6.852 0.519 -4.559 473 HG22 VAL 66 2HG2 VAL 66 -5.915 -0.936 -4.219 474 HG23 VAL 66 3HG2 VAL 66 -5.375 0.190 -5.464 475 H ASP 67 H ASP 67 -6.788 -0.680 -9.312 476 HA ASP 67 HA ASP 67 -4.331 0.779 -9.775 477 HB2 ASP 67 1HB ASP 67 -5.134 1.168 -11.966 478 HB3 ASP 67 2HB ASP 67 -5.663 -0.463 -11.561 479 H VAL 68 H VAL 68 -4.007 2.734 -8.967 480 HA VAL 68 HA VAL 68 -6.331 4.512 -8.603 481 HB VAL 68 HB VAL 68 -3.772 4.471 -6.997 482 HG11 VAL 68 1HG1 VAL 68 -6.255 6.154 -6.673 483 HG12 VAL 68 2HG1 VAL 68 -4.859 6.148 -5.594 484 HG13 VAL 68 3HG1 VAL 68 -4.690 6.722 -7.253 485 HG21 VAL 68 1HG2 VAL 68 -6.379 3.996 -5.706 486 HG22 VAL 68 2HG2 VAL 68 -5.796 2.706 -6.758 487 HG23 VAL 68 3HG2 VAL 68 -4.808 3.252 -5.403 488 H SER 69 H SER 69 -6.032 6.747 -9.008 489 HA SER 69 HA SER 69 -3.846 7.293 -10.900 490 HB2 SER 69 1HB SER 69 -5.933 7.571 -12.004 491 HB3 SER 69 2HB SER 69 -6.622 8.450 -10.639 492 HG SER 69 HG SER 69 -6.011 9.861 -12.323 493 H SER 70 H SER 70 -5.563 8.539 -8.091 494 HA SER 70 HA SER 70 -3.710 10.791 -7.895 495 HB2 SER 70 1HB SER 70 -6.216 10.092 -6.352 496 HB3 SER 70 2HB SER 70 -5.200 11.486 -5.988 497 HG SER 70 HG SER 70 -5.632 12.273 -8.070 498 H HIS 71 H HIS 71 -2.573 11.233 -5.922 499 HA HIS 71 HA HIS 71 -1.171 9.031 -4.903 500 HB2 HIS 71 1HB HIS 71 -1.447 11.835 -3.805 501 HB3 HIS 71 2HB HIS 71 -0.282 10.650 -3.222 502 HD1 HIS 71 1HD HIS 71 -0.864 13.112 -5.905 503 HD2 HIS 71 2HD HIS 71 1.795 10.025 -5.093 504 HE1 HIS 71 1HE HIS 71 1.047 13.433 -7.507 505 HE2 HIS 71 2HE HIS 71 2.603 11.504 -7.055 506 H SER 72 H SER 72 -3.936 10.819 -3.646 507 HA SER 72 HA SER 72 -4.050 9.008 -1.338 508 HB2 SER 72 1HB SER 72 -5.630 11.546 -1.810 509 HB3 SER 72 2HB SER 72 -5.540 10.620 -0.311 510 HG SER 72 HG SER 72 -4.023 12.073 0.052 511 H TYR 73 H TYR 73 -5.443 7.382 -1.343 512 HA TYR 73 HA TYR 73 -7.815 7.564 -3.082 513 HB2 TYR 73 1HB TYR 73 -6.203 5.992 -4.032 514 HB3 TYR 73 2HB TYR 73 -6.127 5.119 -2.505 515 HD1 TYR 73 2HD TYR 73 -8.388 6.011 -5.308 516 HD2 TYR 73 1HD TYR 73 -7.680 3.419 -2.009 517 HE1 TYR 73 2HE TYR 73 -10.244 4.576 -6.045 518 HE2 TYR 73 1HE TYR 73 -9.534 1.976 -2.737 519 HH TYR 73 HH TYR 73 -10.687 1.559 -5.189 520 H THR 74 H THR 74 -9.641 6.226 -2.397 521 HA THR 74 HA THR 74 -9.698 5.825 0.524 522 HB THR 74 HB THR 74 -11.957 6.840 -1.212 523 HG1 THR 74 1HG THR 74 -10.786 8.246 0.935 524 HG21 THR 74 1HG2 THR 74 -11.978 6.741 1.782 525 HG22 THR 74 2HG2 THR 74 -12.453 5.328 0.840 526 HG23 THR 74 3HG2 THR 74 -13.334 6.845 0.661 527 H ILE 75 H ILE 75 -9.886 3.738 0.977 528 HA ILE 75 HA ILE 75 -11.179 1.947 -0.935 529 HB ILE 75 HB ILE 75 -9.630 1.291 1.574 530 HG12 ILE 75 1HG1 ILE 75 -8.695 0.782 -1.232 531 HG13 ILE 75 2HG1 ILE 75 -8.458 2.364 -0.499 532 HG21 ILE 75 1HG2 ILE 75 -9.593 -0.940 0.009 533 HG22 ILE 75 2HG2 ILE 75 -10.690 -0.672 1.362 534 HG23 ILE 75 3HG2 ILE 75 -11.218 -0.320 -0.283 535 HD11 ILE 75 1HD1 ILE 75 -7.449 0.895 1.454 536 HD12 ILE 75 2HD1 ILE 75 -7.177 -0.229 0.122 537 HD13 ILE 75 3HD1 ILE 75 -6.491 1.394 0.061 538 H ASN 76 H ASN 76 -13.277 1.579 -0.708 539 HA ASN 76 HA ASN 76 -14.448 1.661 1.991 540 HB2 ASN 76 1HB ASN 76 -16.638 1.798 0.559 541 HB3 ASN 76 2HB ASN 76 -15.640 3.234 0.772 542 HD21 ASN 76 1HD2 ASN 76 -14.681 4.153 -0.961 543 HD22 ASN 76 2HD2 ASN 76 -14.876 3.594 -2.584 544 H GLY 77 H GLY 77 -15.939 0.049 2.624 545 HA2 GLY 77 1HA GLY 77 -17.084 -2.000 2.393 546 HA3 GLY 77 2HA GLY 77 -16.192 -2.306 0.910 547 H LEU 78 H LEU 78 -15.312 -1.673 4.310 548 HA LEU 78 HA LEU 78 -13.669 -4.117 4.223 549 HB2 LEU 78 1HB LEU 78 -13.032 -1.585 5.727 550 HB3 LEU 78 2HB LEU 78 -12.041 -3.040 5.652 551 HG LEU 78 HG LEU 78 -12.627 -1.168 3.359 552 HD11 LEU 78 1HD1 LEU 78 -11.087 -0.286 5.088 553 HD12 LEU 78 2HD1 LEU 78 -10.317 -0.529 3.521 554 HD13 LEU 78 3HD1 LEU 78 -10.046 -1.684 4.826 555 HD21 LEU 78 1HD2 LEU 78 -12.394 -3.537 2.684 556 HD22 LEU 78 2HD2 LEU 78 -10.809 -3.573 3.457 557 HD23 LEU 78 3HD2 LEU 78 -11.093 -2.513 2.075 558 H LYS 79 H LYS 79 -13.051 -4.765 6.577 559 HA LYS 79 HA LYS 79 -15.537 -5.188 7.974 560 HB2 LYS 79 1HB LYS 79 -12.711 -6.111 8.499 561 HB3 LYS 79 2HB LYS 79 -14.069 -6.527 9.537 562 HG2 LYS 79 1HG LYS 79 -14.246 -7.103 6.620 563 HG3 LYS 79 2HG LYS 79 -13.275 -8.153 7.654 564 HD2 LYS 79 1HD LYS 79 -15.461 -8.067 9.154 565 HD3 LYS 79 2HD LYS 79 -16.216 -7.726 7.595 566 HE2 LYS 79 1HE LYS 79 -15.350 -9.764 6.667 567 HE3 LYS 79 2HE LYS 79 -14.392 -10.070 8.116 568 HZ1 LYS 79 1HZ LYS 79 -16.122 -11.017 9.104 569 HZ2 LYS 79 2HZ LYS 79 -16.923 -10.984 7.615 570 HZ3 LYS 79 3HZ LYS 79 -17.156 -9.732 8.728 571 H LYS 80 H LYS 80 -15.892 -4.708 10.206 572 HA LYS 80 HA LYS 80 -14.884 -2.102 10.943 573 HB2 LYS 80 1HB LYS 80 -17.030 -3.924 11.946 574 HB3 LYS 80 2HB LYS 80 -16.430 -2.660 13.011 575 HG2 LYS 80 1HG LYS 80 -17.342 -0.988 11.776 576 HG3 LYS 80 2HG LYS 80 -17.184 -1.873 10.257 577 HD2 LYS 80 1HD LYS 80 -18.978 -3.442 11.433 578 HD3 LYS 80 2HD LYS 80 -19.349 -1.945 12.291 579 HE2 LYS 80 1HE LYS 80 -20.747 -1.749 10.485 580 HE3 LYS 80 2HE LYS 80 -19.314 -0.927 9.870 581 HZ1 LYS 80 1HZ LYS 80 -19.336 -2.352 8.192 582 HZ2 LYS 80 2HZ LYS 80 -20.592 -3.249 8.882 583 HZ3 LYS 80 3HZ LYS 80 -18.986 -3.606 9.273 584 H TYR 81 H TYR 81 -13.690 -1.594 12.767 585 HA TYR 81 HA TYR 81 -11.873 -1.923 14.128 586 HB2 TYR 81 1HB TYR 81 -13.888 -2.366 15.566 587 HB3 TYR 81 2HB TYR 81 -13.643 -4.085 15.280 588 HD1 TYR 81 2HD TYR 81 -11.902 -1.066 16.601 589 HD2 TYR 81 1HD TYR 81 -12.252 -5.306 16.692 590 HE1 TYR 81 2HE TYR 81 -10.330 -1.150 18.492 591 HE2 TYR 81 1HE TYR 81 -10.682 -5.401 18.583 592 HH TYR 81 HH TYR 81 -9.240 -2.442 19.924 593 H THR 82 H THR 82 -11.392 -3.184 11.760 594 HA THR 82 HA THR 82 -9.995 -5.629 12.626 595 HB THR 82 HB THR 82 -11.232 -5.208 9.899 596 HG1 THR 82 1HG THR 82 -12.545 -5.744 11.991 597 HG21 THR 82 1HG2 THR 82 -9.669 -6.743 9.359 598 HG22 THR 82 2HG2 THR 82 -10.761 -7.873 10.161 599 HG23 THR 82 3HG2 THR 82 -9.390 -7.196 11.040 600 H GLU 83 H GLU 83 -7.895 -5.813 12.039 601 HA GLU 83 HA GLU 83 -6.536 -3.497 11.096 602 HB2 GLU 83 1HB GLU 83 -5.745 -5.485 12.650 603 HB3 GLU 83 2HB GLU 83 -5.215 -6.175 11.122 604 HG2 GLU 83 1HG GLU 83 -3.732 -4.389 10.714 605 HG3 GLU 83 2HG GLU 83 -4.437 -3.414 12.002 606 H TYR 84 H TYR 84 -5.376 -3.199 9.176 607 HA TYR 84 HA TYR 84 -5.696 -5.135 7.029 608 HB2 TYR 84 1HB TYR 84 -6.991 -2.430 7.060 609 HB3 TYR 84 2HB TYR 84 -6.465 -3.135 5.536 610 HD1 TYR 84 2HD TYR 84 -7.408 -5.388 4.862 611 HD2 TYR 84 1HD TYR 84 -9.012 -3.094 8.066 612 HE1 TYR 84 2HE TYR 84 -9.495 -6.684 4.737 613 HE2 TYR 84 1HE TYR 84 -11.103 -4.384 7.950 614 HH TYR 84 HH TYR 84 -11.540 -7.085 6.868 615 H SER 85 H SER 85 -3.939 -5.202 5.776 616 HA SER 85 HA SER 85 -1.781 -3.353 6.302 617 HB2 SER 85 1HB SER 85 -1.664 -5.944 5.890 618 HB3 SER 85 2HB SER 85 -1.645 -5.476 4.190 619 HG SER 85 HG SER 85 0.413 -5.600 5.699 620 H PHE 86 H PHE 86 -0.629 -2.211 4.640 621 HA PHE 86 HA PHE 86 -1.961 -1.808 2.093 622 HB2 PHE 86 1HB PHE 86 -1.625 0.426 4.103 623 HB3 PHE 86 2HB PHE 86 -2.024 0.673 2.406 624 HD1 PHE 86 2HD PHE 86 -4.144 -0.517 1.535 625 HD2 PHE 86 1HD PHE 86 -3.311 0.143 5.657 626 HE1 PHE 86 2HE PHE 86 -6.534 -0.782 2.058 627 HE2 PHE 86 1HE PHE 86 -5.699 -0.122 6.186 628 HZ PHE 86 HZ PHE 86 -7.314 -0.584 4.385 629 H ARG 87 H ARG 87 -0.605 -1.074 0.497 630 HA ARG 87 HA ARG 87 2.033 -0.072 1.173 631 HB2 ARG 87 1HB ARG 87 3.203 -1.788 -0.147 632 HB3 ARG 87 2HB ARG 87 2.385 -2.480 1.247 633 HG2 ARG 87 1HG ARG 87 0.823 -3.569 -0.035 634 HG3 ARG 87 2HG ARG 87 0.991 -2.445 -1.385 635 HD2 ARG 87 1HD ARG 87 2.103 -4.236 -2.252 636 HD3 ARG 87 2HD ARG 87 3.442 -3.437 -1.431 637 HE ARG 87 HE ARG 87 2.104 -5.330 0.242 638 HH11 ARG 87 2HH1 ARG 87 4.483 -4.972 -2.275 639 HH12 ARG 87 1HH1 ARG 87 5.337 -6.419 -1.853 640 HH21 ARG 87 2HH2 ARG 87 3.220 -7.238 0.806 641 HH22 ARG 87 1HH2 ARG 87 4.617 -7.708 -0.101 642 H VAL 88 H VAL 88 3.239 0.634 -0.750 643 HA VAL 88 HA VAL 88 1.504 1.150 -3.071 644 HB VAL 88 HB VAL 88 3.305 3.160 -1.715 645 HG11 VAL 88 1HG1 VAL 88 2.107 4.652 -3.517 646 HG12 VAL 88 2HG1 VAL 88 3.572 3.751 -3.915 647 HG13 VAL 88 3HG1 VAL 88 1.993 3.123 -4.388 648 HG21 VAL 88 1HG2 VAL 88 0.715 2.486 -1.108 649 HG22 VAL 88 2HG2 VAL 88 1.488 4.027 -0.737 650 HG23 VAL 88 3HG2 VAL 88 0.514 3.859 -2.197 651 H VAL 89 H VAL 89 2.425 0.812 -5.006 652 HA VAL 89 HA VAL 89 5.347 0.429 -5.095 653 HB VAL 89 HB VAL 89 3.258 -1.136 -6.618 654 HG11 VAL 89 1HG1 VAL 89 5.572 -0.550 -7.691 655 HG12 VAL 89 2HG1 VAL 89 6.165 -1.808 -6.604 656 HG13 VAL 89 3HG1 VAL 89 4.926 -2.187 -7.802 657 HG21 VAL 89 1HG2 VAL 89 5.067 -2.705 -5.037 658 HG22 VAL 89 2HG2 VAL 89 4.273 -1.498 -4.026 659 HG23 VAL 89 3HG2 VAL 89 3.307 -2.630 -4.972 660 H ALA 90 H ALA 90 6.435 1.419 -6.705 661 HA ALA 90 HA ALA 90 4.961 3.284 -8.369 662 HB1 ALA 90 1HB ALA 90 7.775 2.959 -7.522 663 HB2 ALA 90 2HB ALA 90 7.497 3.721 -9.088 664 HB3 ALA 90 3HB ALA 90 6.782 4.412 -7.632 665 H TYR 91 H TYR 91 4.444 2.949 -10.428 666 HA TYR 91 HA TYR 91 5.801 0.766 -11.870 667 HB2 TYR 91 1HB TYR 91 2.926 1.616 -11.810 668 HB3 TYR 91 2HB TYR 91 3.570 0.801 -13.231 669 HD1 TYR 91 2HD TYR 91 2.826 0.443 -9.642 670 HD2 TYR 91 1HD TYR 91 4.083 -1.541 -13.190 671 HE1 TYR 91 2HE TYR 91 2.483 -1.730 -8.542 672 HE2 TYR 91 1HE TYR 91 3.743 -3.719 -12.100 673 HH TYR 91 HH TYR 91 3.752 -4.464 -9.434 674 H ASN 92 H ASN 92 7.225 1.680 -13.210 675 HA ASN 92 HA ASN 92 6.321 3.966 -14.836 676 HB2 ASN 92 1HB ASN 92 8.667 4.679 -14.970 677 HB3 ASN 92 2HB ASN 92 8.124 4.601 -13.296 678 HD21 ASN 92 1HD2 ASN 92 10.739 4.644 -13.666 679 HD22 ASN 92 2HD2 ASN 92 11.447 3.091 -13.397 680 H LYS 93 H LYS 93 7.869 4.123 -16.870 681 HA LYS 93 HA LYS 93 7.188 2.179 -18.658 682 HB2 LYS 93 1HB LYS 93 9.119 2.958 -20.037 683 HB3 LYS 93 2HB LYS 93 8.114 4.261 -19.418 684 HG2 LYS 93 1HG LYS 93 9.755 4.629 -17.615 685 HG3 LYS 93 2HG LYS 93 10.778 3.379 -18.327 686 HD2 LYS 93 1HD LYS 93 9.854 5.785 -19.879 687 HD3 LYS 93 2HD LYS 93 11.332 5.793 -18.915 688 HE2 LYS 93 1HE LYS 93 11.944 3.668 -20.235 689 HE3 LYS 93 2HE LYS 93 10.675 4.169 -21.351 690 HZ1 LYS 93 1HZ LYS 93 11.859 5.976 -22.035 691 HZ2 LYS 93 2HZ LYS 93 13.139 4.926 -21.690 692 HZ3 LYS 93 3HZ LYS 93 12.712 6.131 -20.582 693 H HIS 94 H HIS 94 10.234 2.345 -16.827 694 HA HIS 94 HA HIS 94 11.446 0.061 -17.846 695 HB2 HIS 94 1HB HIS 94 11.659 1.005 -14.984 696 HB3 HIS 94 2HB HIS 94 12.854 0.088 -15.896 697 HD1 HIS 94 1HD HIS 94 13.087 1.731 -18.431 698 HD2 HIS 94 2HD HIS 94 12.847 3.415 -14.641 699 HE1 HIS 94 1HE HIS 94 14.114 4.017 -18.645 700 HE2 HIS 94 2HE HIS 94 14.035 4.983 -16.320 701 H GLY 95 H GLY 95 9.786 0.253 -14.687 702 HA2 GLY 95 1HA GLY 95 8.039 -1.846 -14.957 703 HA3 GLY 95 2HA GLY 95 9.563 -2.597 -14.508 704 HA PRO 96 HA PRO 96 7.168 -1.236 -10.700 705 HB2 PRO 96 1HB PRO 96 6.936 -3.706 -9.599 706 HB3 PRO 96 2HB PRO 96 5.745 -3.039 -10.721 707 HG2 PRO 96 1HG PRO 96 7.977 -4.962 -11.250 708 HG3 PRO 96 2HG PRO 96 6.306 -4.997 -11.842 709 HD2 PRO 96 1HD PRO 96 8.370 -4.116 -13.357 710 HD3 PRO 96 2HD PRO 96 6.729 -3.455 -13.502 711 H GLY 97 H GLY 97 8.772 -0.266 -9.574 712 HA2 GLY 97 1HA GLY 97 11.234 -1.631 -8.948 713 HA3 GLY 97 2HA GLY 97 10.787 -0.004 -8.458 714 H VAL 98 H VAL 98 11.808 -0.694 -6.418 715 HA VAL 98 HA VAL 98 11.029 -2.709 -4.748 716 HB VAL 98 HB VAL 98 11.580 -1.213 -2.840 717 HG11 VAL 98 1HG1 VAL 98 13.919 -0.545 -3.897 718 HG12 VAL 98 2HG1 VAL 98 13.491 -2.224 -3.561 719 HG13 VAL 98 3HG1 VAL 98 13.343 -1.585 -5.199 720 HG21 VAL 98 1HG2 VAL 98 12.593 1.011 -4.311 721 HG22 VAL 98 2HG2 VAL 98 10.883 0.807 -4.690 722 HG23 VAL 98 3HG2 VAL 98 11.398 0.994 -3.014 723 H SER 99 H SER 99 9.719 -2.476 -2.682 724 HA SER 99 HA SER 99 7.202 -1.043 -3.217 725 HB2 SER 99 1HB SER 99 6.679 -3.316 -3.659 726 HB3 SER 99 2HB SER 99 7.597 -3.879 -2.263 727 HG SER 99 HG SER 99 5.432 -2.135 -1.879 728 H THR 100 H THR 100 6.453 0.173 -1.596 729 HA THR 100 HA THR 100 7.992 0.766 0.651 730 HB THR 100 HB THR 100 5.716 1.712 1.536 731 HG1 THR 100 1HG THR 100 5.047 1.452 -1.208 732 HG21 THR 100 1HG2 THR 100 7.387 3.197 0.742 733 HG22 THR 100 2HG2 THR 100 5.911 3.612 -0.130 734 HG23 THR 100 3HG2 THR 100 7.168 2.665 -0.925 735 HA PRO 101 HA PRO 101 7.046 -2.258 3.689 736 HB2 PRO 101 1HB PRO 101 6.962 -0.767 5.957 737 HB3 PRO 101 2HB PRO 101 8.466 -1.131 5.101 738 HG2 PRO 101 1HG PRO 101 6.791 1.349 5.018 739 HG3 PRO 101 2HG PRO 101 8.555 1.193 5.109 740 HD2 PRO 101 1HD PRO 101 7.258 1.736 2.795 741 HD3 PRO 101 2HD PRO 101 8.762 0.795 2.848 742 H ASP 102 H ASP 102 5.230 -3.280 4.245 743 HA ASP 102 HA ASP 102 2.683 -2.425 3.811 744 HB2 ASP 102 1HB ASP 102 2.068 -4.119 5.699 745 HB3 ASP 102 2HB ASP 102 2.857 -4.702 4.236 746 H VAL 103 H VAL 103 1.023 -1.502 5.007 747 HA VAL 103 HA VAL 103 1.822 -0.205 7.530 748 HB VAL 103 HB VAL 103 0.182 0.999 5.299 749 HG11 VAL 103 1HG1 VAL 103 0.062 1.483 8.101 750 HG12 VAL 103 2HG1 VAL 103 0.779 2.892 7.317 751 HG13 VAL 103 3HG1 VAL 103 -0.802 2.303 6.801 752 HG21 VAL 103 1HG2 VAL 103 2.903 0.935 5.596 753 HG22 VAL 103 2HG2 VAL 103 2.005 2.148 4.684 754 HG23 VAL 103 3HG2 VAL 103 2.476 2.470 6.353 755 H ALA 104 H ALA 104 0.792 -2.072 8.526 756 HA ALA 104 HA ALA 104 -1.963 -2.641 8.162 757 HB1 ALA 104 1HB ALA 104 -1.759 -4.038 10.121 758 HB2 ALA 104 2HB ALA 104 -0.342 -4.252 9.093 759 HB3 ALA 104 3HB ALA 104 -0.233 -3.266 10.551 760 H VAL 105 H VAL 105 -3.701 -1.622 8.912 761 HA VAL 105 HA VAL 105 -3.462 0.052 11.311 762 HB VAL 105 HB VAL 105 -3.274 1.525 9.325 763 HG11 VAL 105 1HG1 VAL 105 -5.869 0.206 8.647 764 HG12 VAL 105 2HG1 VAL 105 -5.558 1.862 8.121 765 HG13 VAL 105 3HG1 VAL 105 -4.485 0.557 7.612 766 HG21 VAL 105 1HG2 VAL 105 -4.354 2.197 11.515 767 HG22 VAL 105 2HG2 VAL 105 -4.768 3.179 10.110 768 HG23 VAL 105 3HG2 VAL 105 -5.907 1.973 10.710 769 H ARG 106 H ARG 106 -5.332 0.238 12.541 770 HA ARG 106 HA ARG 106 -7.404 -1.735 11.900 771 HB2 ARG 106 1HB ARG 106 -6.113 -1.763 14.111 772 HB3 ARG 106 2HB ARG 106 -7.038 -0.330 14.539 773 HG2 ARG 106 1HG ARG 106 -9.108 -1.751 14.014 774 HG3 ARG 106 2HG ARG 106 -8.007 -3.128 14.098 775 HD2 ARG 106 1HD ARG 106 -8.260 -1.083 16.292 776 HD3 ARG 106 2HD ARG 106 -9.229 -2.555 16.232 777 HE ARG 106 HE ARG 106 -6.421 -2.339 16.886 778 HH11 ARG 106 2HH1 ARG 106 -9.029 -4.429 15.911 779 HH12 ARG 106 1HH1 ARG 106 -8.259 -5.872 16.483 780 HH21 ARG 106 2HH2 ARG 106 -5.398 -4.231 17.644 781 HH22 ARG 106 1HH2 ARG 106 -6.195 -5.758 17.470 782 H THR 107 H THR 107 -9.321 -1.083 11.200 783 HA THR 107 HA THR 107 -9.990 1.622 10.825 784 HB THR 107 HB THR 107 -12.357 0.658 10.447 785 HG1 THR 107 1HG THR 107 -12.546 -1.514 10.456 786 HG21 THR 107 1HG2 THR 107 -10.820 -0.818 8.528 787 HG22 THR 107 2HG2 THR 107 -10.028 0.721 8.862 788 HG23 THR 107 3HG2 THR 107 -11.704 0.692 8.317 789 H LEU 108 H LEU 108 -12.253 2.430 11.606 790 HA LEU 108 HA LEU 108 -12.066 2.716 14.448 791 HB2 LEU 108 1HB LEU 108 -14.314 3.627 12.665 792 HB3 LEU 108 2HB LEU 108 -13.876 4.260 14.251 793 HG LEU 108 HG LEU 108 -12.168 4.519 11.779 794 HD11 LEU 108 1HD1 LEU 108 -13.208 6.422 11.232 795 HD12 LEU 108 2HD1 LEU 108 -13.386 6.922 12.913 796 HD13 LEU 108 3HD1 LEU 108 -14.542 5.796 12.202 797 HD21 LEU 108 1HD2 LEU 108 -11.653 4.915 14.558 798 HD22 LEU 108 2HD2 LEU 108 -11.620 6.476 13.738 799 HD23 LEU 108 3HD2 LEU 108 -10.577 5.166 13.183 800 H SER 109 H SER 109 -13.644 2.159 16.002 801 HA SER 109 HA SER 109 -15.018 -0.333 15.383 802 HB2 SER 109 1HB SER 109 -15.105 -0.725 17.704 803 HB3 SER 109 2HB SER 109 -13.553 0.077 17.465 804 HG SER 109 HG SER 109 -15.113 2.044 17.862 805 H ASP 110 H ASP 110 -17.177 -0.589 15.294 806 HA ASP 110 HA ASP 110 -18.822 1.826 15.620 807 HB2 ASP 110 1HB ASP 110 -18.702 0.558 13.382 808 HB3 ASP 110 2HB ASP 110 -19.675 -0.676 14.178 809 H SER 111 H SER 111 -19.050 -1.704 16.081 810 HA SER 111 HA SER 111 -21.206 -1.358 17.988 811 HB2 SER 111 1HB SER 111 -21.132 -3.238 16.304 812 HB3 SER 111 2HB SER 111 -19.800 -3.926 17.232 813 HG SER 111 HG SER 111 -22.504 -3.817 17.815 814 H GLY 112 H GLY 112 -21.038 -1.426 20.152 815 HA2 GLY 112 1HA GLY 112 -18.862 -0.844 21.602 816 HA3 GLY 112 2HA GLY 112 -20.131 -1.877 22.243 817 HA PRO 113 HA PRO 113 -15.939 -4.120 21.445 818 HB2 PRO 113 1HB PRO 113 -14.624 -3.650 23.773 819 HB3 PRO 113 2HB PRO 113 -14.439 -2.629 22.343 820 HG2 PRO 113 1HG PRO 113 -16.128 -2.193 24.775 821 HG3 PRO 113 2HG PRO 113 -15.116 -1.034 23.894 822 HD2 PRO 113 1HD PRO 113 -17.802 -1.157 23.577 823 HD3 PRO 113 2HD PRO 113 -16.705 -0.697 22.259 824 H SER 114 H SER 114 -16.278 -6.210 21.819 825 HA SER 114 HA SER 114 -17.324 -8.067 22.723 826 HB2 SER 114 1HB SER 114 -16.227 -8.713 24.856 827 HB3 SER 114 2HB SER 114 -15.075 -8.129 23.655 828 HG SER 114 HG SER 114 -15.828 -7.029 26.079 829 H SER 115 H SER 115 -19.105 -5.954 22.878 830 HA SER 115 HA SER 115 -20.130 -5.266 25.344 831 HB2 SER 115 1HB SER 115 -20.863 -4.580 22.928 832 HB3 SER 115 2HB SER 115 -21.997 -5.921 23.086 833 HG SER 115 HG SER 115 -22.641 -4.870 25.115 834 H GLY 116 H GLY 116 -21.098 -6.328 26.948 835 HA2 GLY 116 1HA GLY 116 -22.414 -7.912 28.017 836 HA3 GLY 116 2HA GLY 116 -22.726 -8.661 26.457 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -10.277 -21.652 -10.394 2 HA2 GLY 1 1HA GLY 1 -9.519 -22.588 -7.696 3 HA3 GLY 1 2HA GLY 1 -9.112 -23.494 -9.146 4 H SER 2 H SER 2 -7.108 -22.843 -7.461 5 HA SER 2 HA SER 2 -5.342 -21.389 -9.129 6 HB2 SER 2 1HB SER 2 -6.472 -19.427 -8.256 7 HB3 SER 2 2HB SER 2 -6.259 -19.998 -6.601 8 HG SER 2 HG SER 2 -4.213 -19.238 -8.417 9 H SER 3 H SER 3 -3.160 -21.333 -8.293 10 HA SER 3 HA SER 3 -2.723 -23.057 -5.951 11 HB2 SER 3 1HB SER 3 -0.871 -24.177 -7.155 12 HB3 SER 3 2HB SER 3 -2.429 -24.449 -7.937 13 HG SER 3 HG SER 3 -1.254 -23.830 -9.610 14 H GLY 4 H GLY 4 -1.140 -20.885 -8.290 15 HA2 GLY 4 1HA GLY 4 -0.054 -18.869 -7.544 16 HA3 GLY 4 2HA GLY 4 0.312 -19.679 -6.028 17 H SER 5 H SER 5 2.483 -18.771 -6.552 18 HA SER 5 HA SER 5 4.066 -20.832 -7.854 19 HB2 SER 5 1HB SER 5 4.096 -17.942 -8.745 20 HB3 SER 5 2HB SER 5 5.357 -19.104 -9.155 21 HG SER 5 HG SER 5 2.729 -19.854 -9.672 22 H SER 6 H SER 6 6.509 -20.090 -7.693 23 HA SER 6 HA SER 6 7.236 -18.392 -5.540 24 HB2 SER 6 1HB SER 6 6.212 -20.319 -4.287 25 HB3 SER 6 2HB SER 6 7.480 -21.350 -4.952 26 HG SER 6 HG SER 6 7.817 -20.331 -2.789 27 H GLY 7 H GLY 7 9.580 -18.568 -5.021 28 HA2 GLY 7 1HA GLY 7 11.718 -19.615 -5.658 29 HA3 GLY 7 2HA GLY 7 11.071 -19.741 -7.287 30 H ARG 8 H ARG 8 11.203 -17.079 -4.922 31 HA ARG 8 HA ARG 8 12.425 -15.420 -7.026 32 HB2 ARG 8 1HB ARG 8 11.507 -13.480 -5.772 33 HB3 ARG 8 2HB ARG 8 10.264 -14.569 -6.375 34 HG2 ARG 8 1HG ARG 8 9.883 -15.471 -4.215 35 HG3 ARG 8 2HG ARG 8 11.315 -14.673 -3.562 36 HD2 ARG 8 1HD ARG 8 9.219 -13.538 -2.928 37 HD3 ARG 8 2HD ARG 8 10.296 -12.505 -3.868 38 HE ARG 8 HE ARG 8 8.693 -13.529 -5.763 39 HH11 ARG 8 2HH1 ARG 8 8.023 -12.028 -2.694 40 HH12 ARG 8 1HH1 ARG 8 6.500 -11.374 -3.199 41 HH21 ARG 8 2HH2 ARG 8 6.690 -12.673 -6.439 42 HH22 ARG 8 1HH2 ARG 8 5.742 -11.742 -5.329 43 H VAL 9 H VAL 9 14.054 -17.110 -5.528 44 HA VAL 9 HA VAL 9 15.373 -15.313 -3.610 45 HB VAL 9 HB VAL 9 16.563 -17.300 -2.791 46 HG11 VAL 9 1HG1 VAL 9 14.643 -16.837 -1.554 47 HG12 VAL 9 2HG1 VAL 9 13.566 -17.332 -2.861 48 HG13 VAL 9 3HG1 VAL 9 14.474 -18.545 -1.959 49 HG21 VAL 9 1HG2 VAL 9 16.744 -18.713 -4.653 50 HG22 VAL 9 2HG2 VAL 9 15.628 -19.549 -3.573 51 HG23 VAL 9 3HG2 VAL 9 15.010 -18.666 -4.969 52 H GLU 10 H GLU 10 15.681 -14.789 -6.350 53 HA GLU 10 HA GLU 10 18.236 -15.891 -7.169 54 HB2 GLU 10 1HB GLU 10 16.353 -13.906 -8.442 55 HB3 GLU 10 2HB GLU 10 17.909 -14.335 -9.141 56 HG2 GLU 10 1HG GLU 10 17.223 -16.630 -9.378 57 HG3 GLU 10 2HG GLU 10 15.704 -16.295 -8.550 58 H THR 11 H THR 11 20.061 -14.540 -7.713 59 HA THR 11 HA THR 11 20.265 -12.202 -5.934 60 HB THR 11 HB THR 11 22.484 -13.972 -6.979 61 HG1 THR 11 1HG THR 11 22.590 -14.469 -4.642 62 HG21 THR 11 1HG2 THR 11 23.309 -12.445 -4.760 63 HG22 THR 11 2HG2 THR 11 22.512 -11.328 -5.868 64 HG23 THR 11 3HG2 THR 11 23.864 -12.312 -6.428 65 H GLN 12 H GLN 12 20.077 -10.352 -7.012 66 HA GLN 12 HA GLN 12 21.629 -10.004 -9.473 67 HB2 GLN 12 1HB GLN 12 18.691 -9.482 -9.116 68 HB3 GLN 12 2HB GLN 12 19.630 -8.593 -10.307 69 HG2 GLN 12 1HG GLN 12 19.356 -11.588 -10.190 70 HG3 GLN 12 2HG GLN 12 18.467 -10.517 -11.274 71 HE21 GLN 12 1HE2 GLN 12 19.834 -9.128 -12.685 72 HE22 GLN 12 2HE2 GLN 12 21.266 -9.829 -13.350 73 HA PRO 13 HA PRO 13 22.902 -6.255 -7.558 74 HB2 PRO 13 1HB PRO 13 23.649 -4.856 -9.762 75 HB3 PRO 13 2HB PRO 13 24.591 -6.204 -9.115 76 HG2 PRO 13 1HG PRO 13 22.660 -6.168 -11.402 77 HG3 PRO 13 2HG PRO 13 24.243 -6.958 -11.287 78 HD2 PRO 13 1HD PRO 13 21.916 -8.305 -10.968 79 HD3 PRO 13 2HD PRO 13 23.404 -8.750 -10.107 80 H GLU 14 H GLU 14 22.699 -3.742 -8.148 81 HA GLU 14 HA GLU 14 19.977 -3.091 -7.812 82 HB2 GLU 14 1HB GLU 14 20.732 -0.740 -8.028 83 HB3 GLU 14 2HB GLU 14 21.702 -1.670 -6.894 84 HG2 GLU 14 1HG GLU 14 23.524 -1.771 -8.352 85 HG3 GLU 14 2HG GLU 14 22.548 -1.306 -9.744 86 H VAL 15 H VAL 15 18.434 -2.376 -9.195 87 HA VAL 15 HA VAL 15 19.157 -2.237 -12.050 88 HB VAL 15 HB VAL 15 16.836 -3.026 -12.534 89 HG11 VAL 15 1HG1 VAL 15 18.398 -5.002 -10.884 90 HG12 VAL 15 2HG1 VAL 15 17.333 -5.336 -12.251 91 HG13 VAL 15 3HG1 VAL 15 18.867 -4.503 -12.508 92 HG21 VAL 15 1HG2 VAL 15 15.834 -2.426 -10.378 93 HG22 VAL 15 2HG2 VAL 15 15.567 -4.126 -10.768 94 HG23 VAL 15 3HG2 VAL 15 16.797 -3.675 -9.587 95 H GLN 16 H GLN 16 17.582 -0.963 -13.367 96 HA GLN 16 HA GLN 16 17.204 1.608 -12.163 97 HB2 GLN 16 1HB GLN 16 16.307 0.634 -14.880 98 HB3 GLN 16 2HB GLN 16 16.432 2.310 -14.362 99 HG2 GLN 16 1HG GLN 16 18.928 1.682 -13.926 100 HG3 GLN 16 2HG GLN 16 18.585 0.376 -15.059 101 HE21 GLN 16 1HE2 GLN 16 19.944 3.258 -14.920 102 HE22 GLN 16 2HE2 GLN 16 19.579 3.878 -16.491 103 H LEU 17 H LEU 17 15.617 1.709 -10.670 104 HA LEU 17 HA LEU 17 12.888 1.402 -11.602 105 HB2 LEU 17 1HB LEU 17 14.035 -0.191 -9.325 106 HB3 LEU 17 2HB LEU 17 12.307 0.111 -9.498 107 HG LEU 17 HG LEU 17 13.894 -1.220 -11.673 108 HD11 LEU 17 1HD1 LEU 17 13.750 -3.276 -10.718 109 HD12 LEU 17 2HD1 LEU 17 12.326 -2.859 -9.764 110 HD13 LEU 17 3HD1 LEU 17 13.921 -2.308 -9.253 111 HD21 LEU 17 1HD2 LEU 17 10.994 -0.969 -10.946 112 HD22 LEU 17 2HD2 LEU 17 11.573 -2.242 -12.021 113 HD23 LEU 17 3HD2 LEU 17 11.797 -0.548 -12.459 114 HA PRO 18 HA PRO 18 12.179 4.891 -9.034 115 HB2 PRO 18 1HB PRO 18 9.586 4.519 -8.322 116 HB3 PRO 18 2HB PRO 18 10.076 4.996 -9.952 117 HG2 PRO 18 1HG PRO 18 9.343 2.287 -8.911 118 HG3 PRO 18 2HG PRO 18 8.881 3.061 -10.438 119 HD2 PRO 18 1HD PRO 18 10.857 1.217 -10.280 120 HD3 PRO 18 2HD PRO 18 10.888 2.552 -11.450 121 H GLY 19 H GLY 19 11.554 5.583 -6.846 122 HA2 GLY 19 1HA GLY 19 12.314 3.536 -4.891 123 HA3 GLY 19 2HA GLY 19 12.337 5.274 -4.631 124 HA PRO 20 HA PRO 20 8.459 3.214 -2.836 125 HB2 PRO 20 1HB PRO 20 9.089 3.484 -0.209 126 HB3 PRO 20 2HB PRO 20 9.516 2.054 -1.157 127 HG2 PRO 20 1HG PRO 20 11.208 4.410 -0.416 128 HG3 PRO 20 2HG PRO 20 11.624 2.686 -0.406 129 HD2 PRO 20 1HD PRO 20 12.373 4.353 -2.404 130 HD3 PRO 20 2HD PRO 20 12.011 2.636 -2.677 131 H ALA 21 H ALA 21 7.019 4.803 -3.196 132 HA ALA 21 HA ALA 21 7.133 7.460 -3.009 133 HB1 ALA 21 1HB ALA 21 5.114 5.865 -3.475 134 HB2 ALA 21 2HB ALA 21 4.713 6.211 -1.792 135 HB3 ALA 21 3HB ALA 21 4.836 7.528 -2.959 136 HA PRO 22 HA PRO 22 8.314 8.189 1.246 137 HB2 PRO 22 1HB PRO 22 8.621 10.871 0.963 138 HB3 PRO 22 2HB PRO 22 9.829 9.703 0.416 139 HG2 PRO 22 1HG PRO 22 7.729 11.137 -1.163 140 HG3 PRO 22 2HG PRO 22 9.427 10.834 -1.576 141 HD2 PRO 22 1HD PRO 22 7.397 9.347 -2.577 142 HD3 PRO 22 2HD PRO 22 9.007 8.672 -2.255 143 H ASN 23 H ASN 23 7.574 9.803 2.942 144 HA ASN 23 HA ASN 23 5.840 10.432 4.290 145 HB2 ASN 23 1HB ASN 23 4.867 11.750 1.746 146 HB3 ASN 23 2HB ASN 23 4.458 12.219 3.394 147 HD21 ASN 23 1HD2 ASN 23 6.603 12.468 4.761 148 HD22 ASN 23 2HD2 ASN 23 7.769 13.516 4.035 149 H LEU 24 H LEU 24 5.437 7.880 3.570 150 HA LEU 24 HA LEU 24 2.801 7.544 2.422 151 HB2 LEU 24 1HB LEU 24 4.464 5.898 1.895 152 HB3 LEU 24 2HB LEU 24 4.776 5.600 3.603 153 HG LEU 24 HG LEU 24 2.437 4.707 3.778 154 HD11 LEU 24 1HD1 LEU 24 1.472 3.943 1.567 155 HD12 LEU 24 2HD1 LEU 24 2.573 5.086 0.800 156 HD13 LEU 24 3HD1 LEU 24 1.344 5.666 1.924 157 HD21 LEU 24 1HD2 LEU 24 4.405 3.368 1.930 158 HD22 LEU 24 2HD2 LEU 24 2.993 2.566 2.617 159 HD23 LEU 24 3HD2 LEU 24 4.266 3.172 3.677 160 H ARG 25 H ARG 25 1.174 8.211 3.694 161 HA ARG 25 HA ARG 25 1.157 7.304 6.497 162 HB2 ARG 25 1HB ARG 25 -0.583 9.522 5.473 163 HB3 ARG 25 2HB ARG 25 -0.031 9.215 7.114 164 HG2 ARG 25 1HG ARG 25 1.973 9.883 5.015 165 HG3 ARG 25 2HG ARG 25 0.978 11.168 5.705 166 HD2 ARG 25 1HD ARG 25 2.726 9.254 7.248 167 HD3 ARG 25 2HD ARG 25 3.098 10.941 6.899 168 HE ARG 25 HE ARG 25 0.610 10.685 8.250 169 HH11 ARG 25 2HH1 ARG 25 4.057 10.634 8.738 170 HH12 ARG 25 1HH1 ARG 25 3.961 11.141 10.392 171 HH21 ARG 25 2HH2 ARG 25 0.471 11.353 10.427 172 HH22 ARG 25 1HH2 ARG 25 1.921 11.549 11.352 173 H ALA 26 H ALA 26 -0.937 6.719 7.395 174 HA ALA 26 HA ALA 26 -3.081 6.105 5.548 175 HB1 ALA 26 1HB ALA 26 -2.591 3.972 5.196 176 HB2 ALA 26 2HB ALA 26 -1.134 4.132 6.178 177 HB3 ALA 26 3HB ALA 26 -2.660 3.671 6.933 178 H TYR 27 H TYR 27 -4.990 6.316 6.535 179 HA TYR 27 HA TYR 27 -5.224 5.800 9.397 180 HB2 TYR 27 1HB TYR 27 -6.479 8.007 9.640 181 HB3 TYR 27 2HB TYR 27 -4.728 8.111 9.496 182 HD1 TYR 27 2HD TYR 27 -3.701 8.940 7.418 183 HD2 TYR 27 1HD TYR 27 -7.924 8.893 7.937 184 HE1 TYR 27 2HE TYR 27 -3.945 10.487 5.522 185 HE2 TYR 27 1HE TYR 27 -8.180 10.439 6.041 186 HH TYR 27 HH TYR 27 -6.689 10.982 3.895 187 H ALA 28 H ALA 28 -7.291 5.268 10.067 188 HA ALA 28 HA ALA 28 -9.083 4.424 7.956 189 HB1 ALA 28 1HB ALA 28 -9.012 2.779 9.538 190 HB2 ALA 28 2HB ALA 28 -8.851 3.917 10.876 191 HB3 ALA 28 3HB ALA 28 -10.420 3.678 10.106 192 H ALA 29 H ALA 29 -10.185 6.099 7.081 193 HA ALA 29 HA ALA 29 -11.128 8.348 8.499 194 HB1 ALA 29 1HB ALA 29 -12.145 7.250 5.881 195 HB2 ALA 29 2HB ALA 29 -12.363 8.890 6.490 196 HB3 ALA 29 3HB ALA 29 -10.751 8.316 6.064 197 H SER 30 H SER 30 -12.753 5.376 7.429 198 HA SER 30 HA SER 30 -14.873 5.935 9.392 199 HB2 SER 30 1HB SER 30 -15.119 5.327 6.494 200 HB3 SER 30 2HB SER 30 -16.275 4.543 7.571 201 HG SER 30 HG SER 30 -16.090 7.164 6.808 202 HA PRO 31 HA PRO 31 -14.363 1.843 10.886 203 HB2 PRO 31 1HB PRO 31 -16.915 1.051 11.364 204 HB3 PRO 31 2HB PRO 31 -16.082 2.256 12.353 205 HG2 PRO 31 1HG PRO 31 -18.052 2.659 10.136 206 HG3 PRO 31 2HG PRO 31 -17.946 3.484 11.702 207 HD2 PRO 31 1HD PRO 31 -17.023 4.588 9.408 208 HD3 PRO 31 2HD PRO 31 -16.271 4.896 10.987 209 H THR 32 H THR 32 -15.796 2.407 7.913 210 HA THR 32 HA THR 32 -15.702 -0.462 7.260 211 HB THR 32 HB THR 32 -17.561 -0.118 5.651 212 HG1 THR 32 1HG THR 32 -18.247 2.264 6.975 213 HG21 THR 32 1HG2 THR 32 -17.930 -0.993 7.964 214 HG22 THR 32 2HG2 THR 32 -19.336 -0.189 7.267 215 HG23 THR 32 3HG2 THR 32 -18.345 0.646 8.463 216 H SER 33 H SER 33 -14.125 2.258 6.849 217 HA SER 33 HA SER 33 -13.192 1.517 4.193 218 HB2 SER 33 1HB SER 33 -13.645 3.507 3.121 219 HB3 SER 33 2HB SER 33 -15.044 3.417 4.191 220 HG SER 33 HG SER 33 -13.389 4.605 5.669 221 H ILE 34 H ILE 34 -11.248 2.961 3.593 222 HA ILE 34 HA ILE 34 -9.771 3.978 5.874 223 HB ILE 34 HB ILE 34 -8.792 1.602 4.289 224 HG12 ILE 34 1HG1 ILE 34 -9.255 1.972 7.257 225 HG13 ILE 34 2HG1 ILE 34 -10.325 1.099 6.166 226 HG21 ILE 34 1HG2 ILE 34 -7.015 2.276 6.388 227 HG22 ILE 34 2HG2 ILE 34 -6.710 2.273 4.651 228 HG23 ILE 34 3HG2 ILE 34 -7.304 3.735 5.439 229 HD11 ILE 34 1HD1 ILE 34 -7.462 0.355 6.705 230 HD12 ILE 34 2HD1 ILE 34 -8.861 -0.369 7.498 231 HD13 ILE 34 3HD1 ILE 34 -8.637 -0.558 5.759 232 H THR 35 H THR 35 -8.706 5.739 5.270 233 HA THR 35 HA THR 35 -8.252 6.196 2.409 234 HB THR 35 HB THR 35 -8.362 8.096 4.751 235 HG1 THR 35 1HG THR 35 -10.385 7.587 3.949 236 HG21 THR 35 1HG2 THR 35 -6.633 8.979 3.396 237 HG22 THR 35 2HG2 THR 35 -8.089 9.871 2.955 238 HG23 THR 35 3HG2 THR 35 -7.494 8.582 1.909 239 H VAL 36 H VAL 36 -6.271 6.161 1.568 240 HA VAL 36 HA VAL 36 -3.972 6.272 3.411 241 HB VAL 36 HB VAL 36 -4.024 4.826 0.764 242 HG11 VAL 36 1HG1 VAL 36 -2.045 5.143 2.974 243 HG12 VAL 36 2HG1 VAL 36 -2.056 3.653 2.028 244 HG13 VAL 36 3HG1 VAL 36 -1.802 5.205 1.229 245 HG21 VAL 36 1HG2 VAL 36 -5.480 4.046 2.920 246 HG22 VAL 36 2HG2 VAL 36 -4.810 2.945 1.716 247 HG23 VAL 36 3HG2 VAL 36 -3.947 3.230 3.227 248 H THR 37 H THR 37 -2.536 7.841 3.080 249 HA THR 37 HA THR 37 -2.560 9.230 0.480 250 HB THR 37 HB THR 37 -2.060 11.315 1.591 251 HG1 THR 37 1HG THR 37 -0.905 10.220 3.385 252 HG21 THR 37 1HG2 THR 37 -4.355 9.906 2.961 253 HG22 THR 37 2HG2 THR 37 -4.425 10.724 1.400 254 HG23 THR 37 3HG2 THR 37 -4.127 11.652 2.869 255 H TRP 38 H TRP 38 -0.609 9.808 -0.418 256 HA TRP 38 HA TRP 38 1.847 9.259 1.054 257 HB2 TRP 38 1HB TRP 38 2.750 7.914 -0.851 258 HB3 TRP 38 2HB TRP 38 1.430 7.127 0.011 259 HD1 TRP 38 HD TRP 38 2.265 8.743 -3.354 260 HE1 TRP 38 1HE TRP 38 0.453 8.080 -5.057 261 HE3 TRP 38 3HE TRP 38 -1.015 6.429 -0.189 262 HZ2 TRP 38 2HZ TRP 38 -2.038 6.752 -5.059 263 HZ3 TRP 38 3HZ TRP 38 -3.090 5.490 -1.121 264 HH2 TRP 38 HH TRP 38 -3.589 5.649 -3.505 265 H GLU 39 H GLU 39 3.763 9.661 -0.673 266 HA GLU 39 HA GLU 39 3.103 12.178 -2.056 267 HB2 GLU 39 1HB GLU 39 5.324 11.506 -0.186 268 HB3 GLU 39 2HB GLU 39 5.671 12.604 -1.515 269 HG2 GLU 39 1HG GLU 39 3.296 13.098 0.217 270 HG3 GLU 39 2HG GLU 39 4.905 13.525 0.795 271 H THR 40 H THR 40 4.751 12.766 -3.745 272 HA THR 40 HA THR 40 5.169 10.468 -5.454 273 HB THR 40 HB THR 40 5.676 13.410 -5.928 274 HG1 THR 40 1HG THR 40 3.676 13.426 -6.635 275 HG21 THR 40 1HG2 THR 40 6.520 12.965 -7.976 276 HG22 THR 40 2HG2 THR 40 5.477 11.563 -8.214 277 HG23 THR 40 3HG2 THR 40 6.945 11.416 -7.248 278 HA PRO 41 HA PRO 41 9.401 9.875 -4.323 279 HB2 PRO 41 1HB PRO 41 10.114 8.302 -6.418 280 HB3 PRO 41 2HB PRO 41 9.130 7.719 -5.070 281 HG2 PRO 41 1HG PRO 41 8.270 8.631 -7.789 282 HG3 PRO 41 2HG PRO 41 7.711 7.236 -6.848 283 HD2 PRO 41 1HD PRO 41 6.311 9.549 -6.996 284 HD3 PRO 41 2HD PRO 41 6.300 8.517 -5.552 285 H VAL 42 H VAL 42 11.381 10.737 -4.807 286 HA VAL 42 HA VAL 42 11.460 12.848 -6.742 287 HB VAL 42 HB VAL 42 13.796 13.165 -5.991 288 HG11 VAL 42 1HG1 VAL 42 11.975 14.252 -4.794 289 HG12 VAL 42 2HG1 VAL 42 11.793 12.834 -3.759 290 HG13 VAL 42 3HG1 VAL 42 13.268 13.799 -3.685 291 HG21 VAL 42 1HG2 VAL 42 13.317 10.504 -4.841 292 HG22 VAL 42 2HG2 VAL 42 14.823 11.264 -5.357 293 HG23 VAL 42 3HG2 VAL 42 14.141 11.643 -3.775 294 H SER 43 H SER 43 10.924 10.830 -8.313 295 HA SER 43 HA SER 43 11.593 9.506 -10.050 296 HB2 SER 43 1HB SER 43 13.635 11.731 -10.138 297 HB3 SER 43 2HB SER 43 13.487 10.512 -11.403 298 HG SER 43 HG SER 43 11.543 12.404 -10.579 299 H GLY 44 H GLY 44 12.272 8.191 -7.890 300 HA2 GLY 44 1HA GLY 44 14.721 7.621 -7.012 301 HA3 GLY 44 2HA GLY 44 13.604 6.332 -7.438 302 H ASN 45 H ASN 45 13.547 6.572 -10.196 303 HA ASN 45 HA ASN 45 16.353 6.139 -10.973 304 HB2 ASN 45 1HB ASN 45 15.471 3.943 -10.762 305 HB3 ASN 45 2HB ASN 45 13.961 4.395 -11.548 306 HD21 ASN 45 1HD2 ASN 45 13.762 3.952 -13.624 307 HD22 ASN 45 2HD2 ASN 45 15.055 3.571 -14.705 308 H GLY 46 H GLY 46 13.061 6.481 -12.311 309 HA2 GLY 46 1HA GLY 46 14.123 8.465 -14.198 310 HA3 GLY 46 2HA GLY 46 13.250 7.080 -14.838 311 H GLU 47 H GLU 47 11.141 7.325 -15.153 312 HA GLU 47 HA GLU 47 9.762 9.469 -13.673 313 HB2 GLU 47 1HB GLU 47 9.627 8.650 -16.548 314 HB3 GLU 47 2HB GLU 47 8.209 9.361 -15.790 315 HG2 GLU 47 1HG GLU 47 10.876 10.707 -15.632 316 HG3 GLU 47 2HG GLU 47 9.841 10.892 -17.047 317 H ILE 48 H ILE 48 7.603 9.112 -13.054 318 HA ILE 48 HA ILE 48 6.981 6.303 -12.608 319 HB ILE 48 HB ILE 48 5.527 8.746 -11.589 320 HG12 ILE 48 1HG1 ILE 48 7.744 8.821 -10.701 321 HG13 ILE 48 2HG1 ILE 48 6.712 8.171 -9.432 322 HG21 ILE 48 1HG2 ILE 48 4.344 6.478 -11.697 323 HG22 ILE 48 2HG2 ILE 48 5.456 5.984 -10.422 324 HG23 ILE 48 3HG2 ILE 48 4.347 7.329 -10.152 325 HD11 ILE 48 1HD1 ILE 48 8.811 6.970 -9.551 326 HD12 ILE 48 2HD1 ILE 48 7.467 5.915 -9.986 327 HD13 ILE 48 3HD1 ILE 48 8.510 6.578 -11.243 328 H GLN 49 H GLN 49 5.243 5.236 -13.425 329 HA GLN 49 HA GLN 49 3.791 6.585 -15.581 330 HB2 GLN 49 1HB GLN 49 4.017 3.642 -14.928 331 HB3 GLN 49 2HB GLN 49 3.183 4.317 -16.321 332 HG2 GLN 49 1HG GLN 49 6.132 4.397 -15.742 333 HG3 GLN 49 2HG GLN 49 5.311 3.516 -17.030 334 HE21 GLN 49 1HE2 GLN 49 7.438 5.512 -17.176 335 HE22 GLN 49 2HE2 GLN 49 6.835 6.777 -18.186 336 H ASN 50 H ASN 50 3.085 4.237 -12.987 337 HA ASN 50 HA ASN 50 0.592 5.653 -12.438 338 HB2 ASN 50 1HB ASN 50 0.061 3.855 -14.085 339 HB3 ASN 50 2HB ASN 50 0.664 2.669 -12.931 340 HD21 ASN 50 1HD2 ASN 50 -1.293 1.630 -12.737 341 HD22 ASN 50 2HD2 ASN 50 -2.646 2.331 -11.925 342 H TYR 51 H TYR 51 -0.519 4.578 -10.471 343 HA TYR 51 HA TYR 51 1.557 3.752 -8.549 344 HB2 TYR 51 1HB TYR 51 -0.801 5.590 -8.098 345 HB3 TYR 51 2HB TYR 51 0.220 4.958 -6.811 346 HD1 TYR 51 1HD TYR 51 2.741 5.492 -6.952 347 HD2 TYR 51 2HD TYR 51 -0.229 7.577 -9.175 348 HE1 TYR 51 1HE TYR 51 4.297 7.372 -7.258 349 HE2 TYR 51 2HE TYR 51 1.320 9.461 -9.488 350 HH TYR 51 HH TYR 51 4.542 9.458 -8.006 351 H LYS 52 H LYS 52 1.237 1.773 -7.808 352 HA LYS 52 HA LYS 52 -1.432 0.589 -7.959 353 HB2 LYS 52 1HB LYS 52 0.731 -0.520 -8.842 354 HB3 LYS 52 2HB LYS 52 1.074 -0.863 -7.151 355 HG2 LYS 52 1HG LYS 52 0.047 -2.799 -7.909 356 HG3 LYS 52 2HG LYS 52 -1.260 -1.930 -7.102 357 HD2 LYS 52 1HD LYS 52 -2.324 -2.480 -9.044 358 HD3 LYS 52 2HD LYS 52 -1.609 -0.943 -9.537 359 HE2 LYS 52 1HE LYS 52 0.357 -2.275 -10.393 360 HE3 LYS 52 2HE LYS 52 -0.610 -3.723 -10.121 361 HZ1 LYS 52 1HZ LYS 52 -2.127 -1.843 -11.567 362 HZ2 LYS 52 2HZ LYS 52 -1.632 -3.390 -12.040 363 HZ3 LYS 52 3HZ LYS 52 -0.638 -2.055 -12.342 364 H LEU 53 H LEU 53 -2.655 0.206 -6.221 365 HA LEU 53 HA LEU 53 -1.429 0.577 -3.568 366 HB2 LEU 53 1HB LEU 53 -3.001 2.331 -4.042 367 HB3 LEU 53 2HB LEU 53 -4.227 1.159 -4.519 368 HG LEU 53 HG LEU 53 -4.325 0.364 -2.179 369 HD11 LEU 53 1HD1 LEU 53 -2.933 1.044 -0.568 370 HD12 LEU 53 2HD1 LEU 53 -2.988 2.725 -1.096 371 HD13 LEU 53 3HD1 LEU 53 -1.900 1.587 -1.891 372 HD21 LEU 53 1HD2 LEU 53 -5.881 2.072 -3.026 373 HD22 LEU 53 2HD2 LEU 53 -4.771 3.332 -2.484 374 HD23 LEU 53 3HD2 LEU 53 -5.542 2.268 -1.306 375 H TYR 54 H TYR 54 -1.381 -1.146 -2.295 376 HA TYR 54 HA TYR 54 -3.113 -3.426 -2.955 377 HB2 TYR 54 1HB TYR 54 -0.506 -3.284 -1.432 378 HB3 TYR 54 2HB TYR 54 -1.475 -4.745 -1.583 379 HD1 TYR 54 2HD TYR 54 -0.301 -2.095 -3.953 380 HD2 TYR 54 1HD TYR 54 -0.576 -6.248 -3.073 381 HE1 TYR 54 2HE TYR 54 0.821 -2.613 -6.079 382 HE2 TYR 54 1HE TYR 54 0.547 -6.778 -5.196 383 HH TYR 54 HH TYR 54 1.819 -5.872 -6.882 384 H TYR 55 H TYR 55 -4.108 -4.624 -1.248 385 HA TYR 55 HA TYR 55 -4.163 -3.567 1.423 386 HB2 TYR 55 1HB TYR 55 -6.438 -2.857 1.499 387 HB3 TYR 55 2HB TYR 55 -5.704 -2.046 0.120 388 HD1 TYR 55 1HD TYR 55 -6.027 -3.201 -2.191 389 HD2 TYR 55 2HD TYR 55 -8.436 -4.008 1.222 390 HE1 TYR 55 1HE TYR 55 -7.796 -4.081 -3.656 391 HE2 TYR 55 2HE TYR 55 -10.211 -4.891 -0.234 392 HH TYR 55 HH TYR 55 -10.544 -5.763 -2.411 393 H MET 56 H MET 56 -4.571 -5.165 2.818 394 HA MET 56 HA MET 56 -6.336 -7.348 2.150 395 HB2 MET 56 1HB MET 56 -4.830 -9.072 1.995 396 HB3 MET 56 2HB MET 56 -3.887 -7.784 1.258 397 HG2 MET 56 1HG MET 56 -2.980 -7.395 3.639 398 HG3 MET 56 2HG MET 56 -3.613 -9.006 3.971 399 HE1 MET 56 1HE MET 56 -2.022 -10.202 4.561 400 HE2 MET 56 2HE MET 56 -1.265 -11.236 3.348 401 HE3 MET 56 3HE MET 56 -0.321 -9.979 4.149 402 H GLU 57 H GLU 57 -6.816 -8.708 3.968 403 HA GLU 57 HA GLU 57 -6.659 -7.268 6.465 404 HB2 GLU 57 1HB GLU 57 -8.716 -8.477 5.644 405 HB3 GLU 57 2HB GLU 57 -7.877 -9.986 5.972 406 HG2 GLU 57 1HG GLU 57 -7.585 -9.051 8.353 407 HG3 GLU 57 2HG GLU 57 -8.861 -7.924 7.898 408 H LYS 58 H LYS 58 -5.336 -7.664 8.125 409 HA LYS 58 HA LYS 58 -3.050 -9.230 7.879 410 HB2 LYS 58 1HB LYS 58 -3.761 -7.326 9.589 411 HB3 LYS 58 2HB LYS 58 -4.153 -8.709 10.601 412 HG2 LYS 58 1HG LYS 58 -2.011 -8.450 11.250 413 HG3 LYS 58 2HG LYS 58 -1.704 -9.438 9.820 414 HD2 LYS 58 1HD LYS 58 -1.880 -6.505 9.425 415 HD3 LYS 58 2HD LYS 58 -0.458 -7.118 10.273 416 HE2 LYS 58 1HE LYS 58 -1.415 -8.154 7.609 417 HE3 LYS 58 2HE LYS 58 -0.186 -6.904 7.796 418 HZ1 LYS 58 1HZ LYS 58 -0.037 -9.735 8.653 419 HZ2 LYS 58 2HZ LYS 58 1.058 -8.563 9.187 420 HZ3 LYS 58 3HZ LYS 58 0.952 -8.933 7.540 421 H GLY 59 H GLY 59 -3.365 -11.349 7.334 422 HA2 GLY 59 1HA GLY 59 -3.304 -13.507 8.554 423 HA3 GLY 59 2HA GLY 59 -4.795 -12.995 9.330 424 H THR 60 H THR 60 -3.936 -12.663 5.919 425 HA THR 60 HA THR 60 -6.047 -14.611 5.264 426 HB THR 60 HB THR 60 -5.578 -12.289 3.446 427 HG1 THR 60 1HG THR 60 -6.159 -10.977 5.005 428 HG21 THR 60 1HG2 THR 60 -7.525 -14.412 3.814 429 HG22 THR 60 2HG2 THR 60 -7.223 -13.391 2.408 430 HG23 THR 60 3HG2 THR 60 -8.286 -12.826 3.697 431 H ASP 61 H ASP 61 -2.953 -13.213 4.518 432 HA ASP 61 HA ASP 61 -1.222 -13.921 3.223 433 HB2 ASP 61 1HB ASP 61 -2.827 -16.399 3.594 434 HB3 ASP 61 2HB ASP 61 -1.598 -16.415 2.332 435 H LYS 62 H LYS 62 -3.648 -12.655 2.074 436 HA LYS 62 HA LYS 62 -3.008 -13.179 -0.717 437 HB2 LYS 62 1HB LYS 62 -5.637 -13.750 0.551 438 HB3 LYS 62 2HB LYS 62 -5.656 -13.005 -1.042 439 HG2 LYS 62 1HG LYS 62 -3.942 -15.397 -0.602 440 HG3 LYS 62 2HG LYS 62 -5.687 -15.610 -0.760 441 HD2 LYS 62 1HD LYS 62 -4.238 -13.930 -2.756 442 HD3 LYS 62 2HD LYS 62 -4.131 -15.688 -2.871 443 HE2 LYS 62 1HE LYS 62 -6.459 -15.910 -3.162 444 HE3 LYS 62 2HE LYS 62 -6.762 -14.254 -2.640 445 HZ1 LYS 62 1HZ LYS 62 -6.357 -13.460 -4.675 446 HZ2 LYS 62 2HZ LYS 62 -6.607 -15.047 -5.202 447 HZ3 LYS 62 3HZ LYS 62 -5.035 -14.481 -4.940 448 H GLU 63 H GLU 63 -2.405 -11.228 -1.389 449 HA GLU 63 HA GLU 63 -3.905 -8.880 -0.453 450 HB2 GLU 63 1HB GLU 63 -1.387 -9.035 -0.099 451 HB3 GLU 63 2HB GLU 63 -1.229 -8.854 -1.840 452 HG2 GLU 63 1HG GLU 63 -2.087 -6.677 -1.806 453 HG3 GLU 63 2HG GLU 63 -2.738 -6.868 -0.179 454 H GLN 64 H GLN 64 -4.549 -7.269 -1.939 455 HA GLN 64 HA GLN 64 -4.761 -8.225 -4.718 456 HB2 GLN 64 1HB GLN 64 -6.718 -6.621 -3.071 457 HB3 GLN 64 2HB GLN 64 -6.864 -6.839 -4.810 458 HG2 GLN 64 1HG GLN 64 -8.215 -8.519 -4.120 459 HG3 GLN 64 2HG GLN 64 -6.681 -9.388 -4.143 460 HE21 GLN 64 1HE2 GLN 64 -8.879 -10.183 -2.625 461 HE22 GLN 64 2HE2 GLN 64 -8.478 -10.033 -0.951 462 H ASP 65 H ASP 65 -5.207 -6.360 -6.279 463 HA ASP 65 HA ASP 65 -3.655 -3.979 -5.522 464 HB2 ASP 65 1HB ASP 65 -2.444 -3.999 -7.575 465 HB3 ASP 65 2HB ASP 65 -2.316 -5.623 -6.903 466 H VAL 66 H VAL 66 -4.624 -2.112 -5.989 467 HA VAL 66 HA VAL 66 -6.861 -2.152 -7.911 468 HB VAL 66 HB VAL 66 -7.922 -0.368 -6.589 469 HG11 VAL 66 1HG1 VAL 66 -7.735 -3.097 -5.942 470 HG12 VAL 66 2HG1 VAL 66 -7.710 -2.217 -4.412 471 HG13 VAL 66 3HG1 VAL 66 -9.039 -1.979 -5.546 472 HG21 VAL 66 1HG2 VAL 66 -5.799 0.488 -5.596 473 HG22 VAL 66 2HG2 VAL 66 -7.108 0.280 -4.432 474 HG23 VAL 66 3HG2 VAL 66 -5.804 -0.904 -4.513 475 H ASP 67 H ASP 67 -6.914 -0.610 -9.456 476 HA ASP 67 HA ASP 67 -4.552 0.902 -9.962 477 HB2 ASP 67 1HB ASP 67 -5.462 1.358 -12.029 478 HB3 ASP 67 2HB ASP 67 -6.361 -0.096 -11.607 479 H VAL 68 H VAL 68 -4.028 2.813 -9.154 480 HA VAL 68 HA VAL 68 -6.186 4.665 -8.384 481 HB VAL 68 HB VAL 68 -3.616 4.170 -6.874 482 HG11 VAL 68 1HG1 VAL 68 -4.085 6.508 -6.786 483 HG12 VAL 68 2HG1 VAL 68 -5.794 6.211 -6.465 484 HG13 VAL 68 3HG1 VAL 68 -4.584 5.807 -5.247 485 HG21 VAL 68 1HG2 VAL 68 -5.958 3.947 -5.277 486 HG22 VAL 68 2HG2 VAL 68 -6.167 2.944 -6.712 487 HG23 VAL 68 3HG2 VAL 68 -4.767 2.705 -5.666 488 H SER 69 H SER 69 -6.043 6.619 -9.272 489 HA SER 69 HA SER 69 -3.464 7.425 -10.449 490 HB2 SER 69 1HB SER 69 -6.272 8.042 -11.395 491 HB3 SER 69 2HB SER 69 -4.807 8.732 -12.094 492 HG SER 69 HG SER 69 -4.563 6.069 -11.958 493 H SER 70 H SER 70 -3.746 8.036 -7.860 494 HA SER 70 HA SER 70 -3.704 10.899 -7.880 495 HB2 SER 70 1HB SER 70 -5.436 11.097 -6.030 496 HB3 SER 70 2HB SER 70 -6.072 10.751 -7.639 497 HG SER 70 HG SER 70 -6.601 9.411 -5.521 498 H HIS 71 H HIS 71 -3.219 11.767 -5.651 499 HA HIS 71 HA HIS 71 -1.164 10.134 -4.472 500 HB2 HIS 71 1HB HIS 71 -2.180 12.906 -3.831 501 HB3 HIS 71 2HB HIS 71 -0.851 12.135 -2.971 502 HD1 HIS 71 1HD HIS 71 -1.079 14.674 -5.180 503 HD2 HIS 71 2HD HIS 71 0.914 11.039 -5.444 504 HE1 HIS 71 1HE HIS 71 0.727 15.021 -6.895 505 HE2 HIS 71 2HE HIS 71 1.865 12.783 -7.100 506 H SER 72 H SER 72 -4.462 10.883 -3.802 507 HA SER 72 HA SER 72 -4.276 9.340 -1.304 508 HB2 SER 72 1HB SER 72 -5.913 10.795 -0.246 509 HB3 SER 72 2HB SER 72 -4.546 11.761 -0.802 510 HG SER 72 HG SER 72 -7.155 11.602 -1.835 511 H TYR 73 H TYR 73 -5.607 7.653 -1.228 512 HA TYR 73 HA TYR 73 -8.004 7.663 -2.933 513 HB2 TYR 73 1HB TYR 73 -6.214 6.326 -4.005 514 HB3 TYR 73 2HB TYR 73 -6.130 5.316 -2.566 515 HD1 TYR 73 1HD TYR 73 -7.963 3.774 -2.021 516 HD2 TYR 73 2HD TYR 73 -8.004 6.084 -5.594 517 HE1 TYR 73 1HE TYR 73 -9.720 2.316 -2.936 518 HE2 TYR 73 2HE TYR 73 -9.762 4.634 -6.518 519 HH TYR 73 HH TYR 73 -11.082 1.920 -4.641 520 H THR 74 H THR 74 -9.801 6.635 -2.113 521 HA THR 74 HA THR 74 -9.595 5.779 0.699 522 HB THR 74 HB THR 74 -11.988 6.953 -0.731 523 HG1 THR 74 1HG THR 74 -10.772 8.189 1.464 524 HG21 THR 74 1HG2 THR 74 -11.583 5.889 2.048 525 HG22 THR 74 2HG2 THR 74 -12.878 5.535 0.905 526 HG23 THR 74 3HG2 THR 74 -12.811 7.106 1.704 527 H ILE 75 H ILE 75 -10.102 3.743 1.177 528 HA ILE 75 HA ILE 75 -11.430 2.124 -0.890 529 HB ILE 75 HB ILE 75 -9.673 1.228 1.398 530 HG12 ILE 75 1HG1 ILE 75 -9.060 0.954 -1.532 531 HG13 ILE 75 2HG1 ILE 75 -8.668 2.437 -0.668 532 HG21 ILE 75 1HG2 ILE 75 -10.127 -0.931 0.904 533 HG22 ILE 75 2HG2 ILE 75 -11.647 -0.240 0.340 534 HG23 ILE 75 3HG2 ILE 75 -10.363 -0.604 -0.812 535 HD11 ILE 75 1HD1 ILE 75 -6.800 1.523 0.067 536 HD12 ILE 75 2HD1 ILE 75 -7.715 0.234 0.849 537 HD13 ILE 75 3HD1 ILE 75 -7.181 0.048 -0.821 538 H ASN 76 H ASN 76 -13.531 1.871 -0.518 539 HA ASN 76 HA ASN 76 -14.498 1.746 2.246 540 HB2 ASN 76 1HB ASN 76 -16.779 1.909 1.042 541 HB3 ASN 76 2HB ASN 76 -15.753 3.340 1.069 542 HD21 ASN 76 1HD2 ASN 76 -14.386 3.691 -0.839 543 HD22 ASN 76 2HD2 ASN 76 -15.009 3.244 -2.387 544 H GLY 77 H GLY 77 -16.047 0.123 2.862 545 HA2 GLY 77 1HA GLY 77 -17.166 -1.944 2.571 546 HA3 GLY 77 2HA GLY 77 -16.181 -2.247 1.147 547 H LEU 78 H LEU 78 -15.300 -1.408 4.490 548 HA LEU 78 HA LEU 78 -13.758 -3.916 4.603 549 HB2 LEU 78 1HB LEU 78 -13.024 -1.335 5.967 550 HB3 LEU 78 2HB LEU 78 -12.062 -2.809 5.877 551 HG LEU 78 HG LEU 78 -12.757 -1.093 3.496 552 HD11 LEU 78 1HD1 LEU 78 -11.285 0.350 4.363 553 HD12 LEU 78 2HD1 LEU 78 -10.070 -0.839 3.893 554 HD13 LEU 78 3HD1 LEU 78 -10.689 -0.816 5.544 555 HD21 LEU 78 1HD2 LEU 78 -12.287 -3.297 2.784 556 HD22 LEU 78 2HD2 LEU 78 -10.944 -3.458 3.916 557 HD23 LEU 78 3HD2 LEU 78 -10.804 -2.376 2.529 558 H LYS 79 H LYS 79 -13.448 -4.814 6.744 559 HA LYS 79 HA LYS 79 -15.856 -4.786 8.269 560 HB2 LYS 79 1HB LYS 79 -13.243 -6.212 8.416 561 HB3 LYS 79 2HB LYS 79 -14.238 -6.171 9.866 562 HG2 LYS 79 1HG LYS 79 -15.337 -7.060 7.221 563 HG3 LYS 79 2HG LYS 79 -14.498 -8.168 8.309 564 HD2 LYS 79 1HD LYS 79 -16.817 -6.477 9.209 565 HD3 LYS 79 2HD LYS 79 -17.038 -8.072 8.486 566 HE2 LYS 79 1HE LYS 79 -15.121 -7.770 10.747 567 HE3 LYS 79 2HE LYS 79 -16.850 -7.767 11.095 568 HZ1 LYS 79 1HZ LYS 79 -16.157 -9.987 11.269 569 HZ2 LYS 79 2HZ LYS 79 -15.248 -9.919 9.844 570 HZ3 LYS 79 3HZ LYS 79 -16.938 -9.894 9.771 571 H LYS 80 H LYS 80 -16.031 -4.308 10.547 572 HA LYS 80 HA LYS 80 -14.693 -1.834 11.219 573 HB2 LYS 80 1HB LYS 80 -16.773 -3.411 12.746 574 HB3 LYS 80 2HB LYS 80 -16.224 -1.788 13.143 575 HG2 LYS 80 1HG LYS 80 -18.116 -1.265 12.010 576 HG3 LYS 80 2HG LYS 80 -16.989 -1.318 10.653 577 HD2 LYS 80 1HD LYS 80 -17.761 -3.396 9.936 578 HD3 LYS 80 2HD LYS 80 -18.484 -3.774 11.501 579 HE2 LYS 80 1HE LYS 80 -19.472 -1.507 9.796 580 HE3 LYS 80 2HE LYS 80 -20.059 -3.156 9.583 581 HZ1 LYS 80 1HZ LYS 80 -21.283 -1.508 11.163 582 HZ2 LYS 80 2HZ LYS 80 -20.093 -1.976 12.270 583 HZ3 LYS 80 3HZ LYS 80 -21.120 -3.137 11.593 584 H TYR 81 H TYR 81 -13.379 -1.471 13.000 585 HA TYR 81 HA TYR 81 -11.621 -1.970 14.368 586 HB2 TYR 81 1HB TYR 81 -13.802 -2.631 15.662 587 HB3 TYR 81 2HB TYR 81 -13.209 -4.273 15.444 588 HD1 TYR 81 2HD TYR 81 -11.576 -1.020 16.312 589 HD2 TYR 81 1HD TYR 81 -12.267 -5.079 17.385 590 HE1 TYR 81 2HE TYR 81 -10.113 -0.745 18.270 591 HE2 TYR 81 1HE TYR 81 -10.808 -4.815 19.347 592 HH TYR 81 HH TYR 81 -9.527 -3.436 20.517 593 H THR 82 H THR 82 -11.266 -3.062 11.873 594 HA THR 82 HA THR 82 -9.889 -5.586 12.512 595 HB THR 82 HB THR 82 -11.300 -4.950 9.913 596 HG1 THR 82 1HG THR 82 -12.428 -5.726 12.028 597 HG21 THR 82 1HG2 THR 82 -9.149 -6.715 10.473 598 HG22 THR 82 2HG2 THR 82 -10.062 -6.545 8.974 599 HG23 THR 82 3HG2 THR 82 -10.590 -7.694 10.202 600 H GLU 83 H GLU 83 -7.783 -5.599 12.052 601 HA GLU 83 HA GLU 83 -6.505 -3.284 11.007 602 HB2 GLU 83 1HB GLU 83 -5.623 -5.080 12.681 603 HB3 GLU 83 2HB GLU 83 -5.141 -5.946 11.228 604 HG2 GLU 83 1HG GLU 83 -3.669 -4.223 10.571 605 HG3 GLU 83 2HG GLU 83 -4.327 -3.108 11.768 606 H TYR 84 H TYR 84 -5.361 -3.017 9.080 607 HA TYR 84 HA TYR 84 -5.611 -5.066 7.021 608 HB2 TYR 84 1HB TYR 84 -6.893 -2.351 6.895 609 HB3 TYR 84 2HB TYR 84 -6.392 -3.177 5.423 610 HD1 TYR 84 2HD TYR 84 -7.368 -5.468 4.938 611 HD2 TYR 84 1HD TYR 84 -8.920 -2.899 7.954 612 HE1 TYR 84 2HE TYR 84 -9.475 -6.737 4.927 613 HE2 TYR 84 1HE TYR 84 -11.030 -4.161 7.952 614 HH TYR 84 HH TYR 84 -11.980 -6.152 5.577 615 H SER 85 H SER 85 -3.848 -5.168 5.776 616 HA SER 85 HA SER 85 -1.701 -3.293 6.255 617 HB2 SER 85 1HB SER 85 -1.603 -5.912 5.907 618 HB3 SER 85 2HB SER 85 -1.505 -5.462 4.205 619 HG SER 85 HG SER 85 0.497 -4.957 4.531 620 H PHE 86 H PHE 86 -0.544 -2.198 4.569 621 HA PHE 86 HA PHE 86 -1.870 -1.885 2.003 622 HB2 PHE 86 1HB PHE 86 -1.505 0.412 3.935 623 HB3 PHE 86 2HB PHE 86 -1.901 0.608 2.230 624 HD1 PHE 86 2HD PHE 86 -4.031 -0.617 1.404 625 HD2 PHE 86 1HD PHE 86 -3.198 0.234 5.491 626 HE1 PHE 86 2HE PHE 86 -6.424 -0.835 1.934 627 HE2 PHE 86 1HE PHE 86 -5.590 0.016 6.027 628 HZ PHE 86 HZ PHE 86 -7.206 -0.518 4.247 629 H ARG 87 H ARG 87 -0.478 -1.405 0.384 630 HA ARG 87 HA ARG 87 2.132 -0.278 0.965 631 HB2 ARG 87 1HB ARG 87 3.377 -2.105 -0.058 632 HB3 ARG 87 2HB ARG 87 2.463 -2.690 1.326 633 HG2 ARG 87 1HG ARG 87 0.872 -3.758 -0.052 634 HG3 ARG 87 2HG ARG 87 1.462 -2.930 -1.495 635 HD2 ARG 87 1HD ARG 87 2.353 -5.083 -1.666 636 HD3 ARG 87 2HD ARG 87 3.684 -4.114 -1.037 637 HE ARG 87 HE ARG 87 2.077 -5.428 0.972 638 HH11 ARG 87 2HH1 ARG 87 4.864 -5.625 -1.105 639 HH12 ARG 87 1HH1 ARG 87 5.666 -6.815 -0.135 640 HH21 ARG 87 2HH2 ARG 87 3.123 -6.995 2.258 641 HH22 ARG 87 1HH2 ARG 87 4.674 -7.594 1.778 642 H VAL 88 H VAL 88 2.871 0.936 -0.681 643 HA VAL 88 HA VAL 88 1.321 0.891 -3.180 644 HB VAL 88 HB VAL 88 3.043 3.085 -2.017 645 HG11 VAL 88 1HG1 VAL 88 2.476 2.649 -4.677 646 HG12 VAL 88 2HG1 VAL 88 1.232 3.798 -4.179 647 HG13 VAL 88 3HG1 VAL 88 2.937 4.189 -3.954 648 HG21 VAL 88 1HG2 VAL 88 0.639 2.417 -1.110 649 HG22 VAL 88 2HG2 VAL 88 1.155 4.098 -1.240 650 HG23 VAL 88 3HG2 VAL 88 0.129 3.392 -2.488 651 H VAL 89 H VAL 89 2.271 0.516 -5.105 652 HA VAL 89 HA VAL 89 5.189 0.087 -5.111 653 HB VAL 89 HB VAL 89 3.101 -1.335 -6.770 654 HG11 VAL 89 1HG1 VAL 89 4.765 -2.410 -7.920 655 HG12 VAL 89 2HG1 VAL 89 5.523 -0.835 -7.677 656 HG13 VAL 89 3HG1 VAL 89 5.949 -2.191 -6.632 657 HG21 VAL 89 1HG2 VAL 89 2.884 -2.569 -4.913 658 HG22 VAL 89 2HG2 VAL 89 4.458 -3.236 -5.348 659 HG23 VAL 89 3HG2 VAL 89 4.352 -1.911 -4.190 660 H ALA 90 H ALA 90 6.361 1.230 -6.516 661 HA ALA 90 HA ALA 90 4.999 3.075 -8.296 662 HB1 ALA 90 1HB ALA 90 7.834 2.781 -7.367 663 HB2 ALA 90 2HB ALA 90 7.416 3.842 -8.713 664 HB3 ALA 90 3HB ALA 90 6.716 4.122 -7.118 665 H TYR 91 H TYR 91 4.482 2.455 -10.283 666 HA TYR 91 HA TYR 91 6.086 0.395 -11.611 667 HB2 TYR 91 1HB TYR 91 3.292 1.423 -11.993 668 HB3 TYR 91 2HB TYR 91 4.099 0.548 -13.289 669 HD1 TYR 91 2HD TYR 91 2.906 0.283 -9.797 670 HD2 TYR 91 1HD TYR 91 4.315 -1.812 -13.222 671 HE1 TYR 91 2HE TYR 91 2.254 -1.848 -8.755 672 HE2 TYR 91 1HE TYR 91 3.666 -3.948 -12.190 673 HH TYR 91 HH TYR 91 1.925 -4.054 -9.126 674 H ASN 92 H ASN 92 7.735 1.207 -12.736 675 HA ASN 92 HA ASN 92 7.310 3.675 -14.280 676 HB2 ASN 92 1HB ASN 92 9.770 2.410 -13.098 677 HB3 ASN 92 2HB ASN 92 9.899 3.583 -14.406 678 HD21 ASN 92 1HD2 ASN 92 11.004 5.006 -13.041 679 HD22 ASN 92 2HD2 ASN 92 10.179 5.923 -11.830 680 H LYS 93 H LYS 93 8.310 3.800 -16.409 681 HA LYS 93 HA LYS 93 7.501 1.976 -18.218 682 HB2 LYS 93 1HB LYS 93 9.137 2.855 -19.777 683 HB3 LYS 93 2HB LYS 93 8.509 4.163 -18.783 684 HG2 LYS 93 1HG LYS 93 10.496 4.262 -17.498 685 HG3 LYS 93 2HG LYS 93 11.095 2.752 -18.189 686 HD2 LYS 93 1HD LYS 93 12.290 4.329 -19.383 687 HD3 LYS 93 2HD LYS 93 10.915 4.034 -20.450 688 HE2 LYS 93 1HE LYS 93 11.234 6.391 -20.330 689 HE3 LYS 93 2HE LYS 93 9.789 6.007 -19.397 690 HZ1 LYS 93 1HZ LYS 93 10.982 7.490 -18.076 691 HZ2 LYS 93 2HZ LYS 93 12.470 6.754 -18.401 692 HZ3 LYS 93 3HZ LYS 93 11.342 5.979 -17.405 693 H HIS 94 H HIS 94 10.384 1.758 -16.245 694 HA HIS 94 HA HIS 94 11.494 -0.483 -17.641 695 HB2 HIS 94 1HB HIS 94 12.160 0.229 -14.799 696 HB3 HIS 94 2HB HIS 94 13.205 -0.458 -16.039 697 HD1 HIS 94 1HD HIS 94 14.093 1.208 -17.878 698 HD2 HIS 94 2HD HIS 94 12.090 2.985 -14.702 699 HE1 HIS 94 1HE HIS 94 14.663 3.654 -18.008 700 HE2 HIS 94 2HE HIS 94 13.509 4.695 -16.027 701 H GLY 95 H GLY 95 10.197 -0.211 -14.321 702 HA2 GLY 95 1HA GLY 95 8.473 -2.432 -14.546 703 HA3 GLY 95 2HA GLY 95 10.000 -2.961 -13.856 704 HA PRO 96 HA PRO 96 7.078 -1.204 -10.578 705 HB2 PRO 96 1HB PRO 96 6.616 -3.529 -9.255 706 HB3 PRO 96 2HB PRO 96 5.605 -2.967 -10.591 707 HG2 PRO 96 1HG PRO 96 7.816 -4.985 -10.608 708 HG3 PRO 96 2HG PRO 96 6.235 -5.051 -11.408 709 HD2 PRO 96 1HD PRO 96 8.507 -4.390 -12.724 710 HD3 PRO 96 2HD PRO 96 6.923 -3.715 -13.156 711 H GLY 97 H GLY 97 9.107 -0.223 -9.933 712 HA2 GLY 97 1HA GLY 97 11.262 -1.449 -8.730 713 HA3 GLY 97 2HA GLY 97 10.703 0.167 -8.326 714 H VAL 98 H VAL 98 11.798 -0.912 -6.279 715 HA VAL 98 HA VAL 98 10.689 -2.789 -4.678 716 HB VAL 98 HB VAL 98 11.381 -1.440 -2.712 717 HG11 VAL 98 1HG1 VAL 98 13.066 -2.778 -3.678 718 HG12 VAL 98 2HG1 VAL 98 13.259 -1.681 -5.048 719 HG13 VAL 98 3HG1 VAL 98 13.796 -1.190 -3.441 720 HG21 VAL 98 1HG2 VAL 98 11.966 0.674 -4.782 721 HG22 VAL 98 2HG2 VAL 98 10.745 0.764 -3.513 722 HG23 VAL 98 3HG2 VAL 98 12.457 0.738 -3.090 723 H SER 99 H SER 99 9.289 -2.573 -2.738 724 HA SER 99 HA SER 99 7.038 -0.737 -3.234 725 HB2 SER 99 1HB SER 99 6.337 -2.967 -3.862 726 HB3 SER 99 2HB SER 99 6.936 -3.627 -2.340 727 HG SER 99 HG SER 99 5.370 -2.128 -1.337 728 H THR 100 H THR 100 6.242 0.357 -1.519 729 HA THR 100 HA THR 100 7.755 0.804 0.744 730 HB THR 100 HB THR 100 5.724 1.816 1.752 731 HG1 THR 100 1HG THR 100 3.776 1.472 0.897 732 HG21 THR 100 1HG2 THR 100 5.874 3.641 0.423 733 HG22 THR 100 2HG2 THR 100 5.544 2.726 -1.048 734 HG23 THR 100 3HG2 THR 100 7.162 2.719 -0.349 735 HA PRO 101 HA PRO 101 7.066 -2.534 3.514 736 HB2 PRO 101 1HB PRO 101 7.202 -1.255 5.905 737 HB3 PRO 101 2HB PRO 101 8.620 -1.550 4.890 738 HG2 PRO 101 1HG PRO 101 6.981 0.939 5.179 739 HG3 PRO 101 2HG PRO 101 8.743 0.763 5.099 740 HD2 PRO 101 1HD PRO 101 7.257 1.523 2.967 741 HD3 PRO 101 2HD PRO 101 8.746 0.571 2.802 742 H ASP 102 H ASP 102 5.289 -3.590 4.126 743 HA ASP 102 HA ASP 102 2.735 -2.866 3.946 744 HB2 ASP 102 1HB ASP 102 2.212 -4.460 5.842 745 HB3 ASP 102 2HB ASP 102 3.229 -5.113 4.561 746 H VAL 103 H VAL 103 1.278 -1.573 4.902 747 HA VAL 103 HA VAL 103 2.079 -0.222 7.398 748 HB VAL 103 HB VAL 103 0.639 0.895 4.999 749 HG11 VAL 103 1HG1 VAL 103 0.861 2.965 6.797 750 HG12 VAL 103 2HG1 VAL 103 -0.618 2.081 6.415 751 HG13 VAL 103 3HG1 VAL 103 0.358 1.611 7.808 752 HG21 VAL 103 1HG2 VAL 103 2.533 2.695 5.760 753 HG22 VAL 103 2HG2 VAL 103 3.303 1.169 6.195 754 HG23 VAL 103 3HG2 VAL 103 2.768 1.445 4.538 755 H ALA 104 H ALA 104 0.929 -2.054 8.412 756 HA ALA 104 HA ALA 104 -1.834 -2.488 8.071 757 HB1 ALA 104 1HB ALA 104 -0.628 -4.205 9.123 758 HB2 ALA 104 2HB ALA 104 0.065 -3.106 10.315 759 HB3 ALA 104 3HB ALA 104 -1.647 -3.523 10.391 760 H VAL 105 H VAL 105 -3.618 -1.711 9.144 761 HA VAL 105 HA VAL 105 -3.296 0.284 11.235 762 HB VAL 105 HB VAL 105 -3.182 1.573 9.113 763 HG11 VAL 105 1HG1 VAL 105 -5.140 1.771 7.701 764 HG12 VAL 105 2HG1 VAL 105 -4.626 0.085 7.779 765 HG13 VAL 105 3HG1 VAL 105 -6.019 0.627 8.715 766 HG21 VAL 105 1HG2 VAL 105 -5.034 3.168 9.707 767 HG22 VAL 105 2HG2 VAL 105 -5.565 1.991 10.909 768 HG23 VAL 105 3HG2 VAL 105 -3.967 2.726 11.040 769 H ARG 106 H ARG 106 -5.094 0.517 12.536 770 HA ARG 106 HA ARG 106 -7.157 -1.520 12.160 771 HB2 ARG 106 1HB ARG 106 -5.776 -1.099 14.342 772 HB3 ARG 106 2HB ARG 106 -6.927 0.205 14.600 773 HG2 ARG 106 1HG ARG 106 -8.767 -1.427 14.453 774 HG3 ARG 106 2HG ARG 106 -7.576 -2.718 14.285 775 HD2 ARG 106 1HD ARG 106 -7.549 -0.823 16.614 776 HD3 ARG 106 2HD ARG 106 -8.537 -2.283 16.615 777 HE ARG 106 HE ARG 106 -5.738 -2.129 17.051 778 HH11 ARG 106 2HH1 ARG 106 -8.206 -4.115 15.607 779 HH12 ARG 106 1HH1 ARG 106 -7.312 -5.588 15.793 780 HH21 ARG 106 2HH2 ARG 106 -4.552 -4.062 17.301 781 HH22 ARG 106 1HH2 ARG 106 -5.235 -5.557 16.757 782 H THR 107 H THR 107 -9.214 -1.058 11.679 783 HA THR 107 HA THR 107 -9.919 1.659 11.029 784 HB THR 107 HB THR 107 -12.165 0.589 10.443 785 HG1 THR 107 1HG THR 107 -12.077 -1.708 10.257 786 HG21 THR 107 1HG2 THR 107 -10.517 -0.933 8.709 787 HG22 THR 107 2HG2 THR 107 -9.647 0.548 9.109 788 HG23 THR 107 3HG2 THR 107 -11.263 0.636 8.409 789 H LEU 108 H LEU 108 -12.054 2.556 11.728 790 HA LEU 108 HA LEU 108 -12.150 2.704 14.562 791 HB2 LEU 108 1HB LEU 108 -14.288 3.651 12.674 792 HB3 LEU 108 2HB LEU 108 -13.903 4.272 14.278 793 HG LEU 108 HG LEU 108 -12.099 4.529 11.874 794 HD11 LEU 108 1HD1 LEU 108 -13.503 6.863 13.036 795 HD12 LEU 108 2HD1 LEU 108 -14.446 5.771 12.023 796 HD13 LEU 108 3HD1 LEU 108 -13.002 6.549 11.374 797 HD21 LEU 108 1HD2 LEU 108 -11.431 6.486 13.642 798 HD22 LEU 108 2HD2 LEU 108 -10.608 4.932 13.501 799 HD23 LEU 108 3HD2 LEU 108 -11.857 5.162 14.726 800 H SER 109 H SER 109 -13.555 1.833 16.018 801 HA SER 109 HA SER 109 -15.121 -0.443 15.081 802 HB2 SER 109 1HB SER 109 -13.624 -0.864 16.947 803 HB3 SER 109 2HB SER 109 -14.353 0.450 17.871 804 HG SER 109 HG SER 109 -15.939 -1.676 16.930 805 H ASP 110 H ASP 110 -17.213 -0.242 14.695 806 HA ASP 110 HA ASP 110 -18.704 2.077 15.247 807 HB2 ASP 110 1HB ASP 110 -19.279 0.550 13.421 808 HB3 ASP 110 2HB ASP 110 -19.677 -0.711 14.585 809 H SER 111 H SER 111 -19.088 2.741 17.264 810 HA SER 111 HA SER 111 -19.557 0.861 19.409 811 HB2 SER 111 1HB SER 111 -19.628 2.827 20.852 812 HB3 SER 111 2HB SER 111 -18.236 2.927 19.774 813 HG SER 111 HG SER 111 -19.114 4.582 18.766 814 H GLY 112 H GLY 112 -21.405 3.420 17.767 815 HA2 GLY 112 1HA GLY 112 -23.814 2.179 17.564 816 HA3 GLY 112 2HA GLY 112 -23.818 2.790 19.212 817 HA PRO 113 HA PRO 113 -25.215 6.700 17.819 818 HB2 PRO 113 1HB PRO 113 -23.950 8.397 19.519 819 HB3 PRO 113 2HB PRO 113 -25.282 7.349 20.022 820 HG2 PRO 113 1HG PRO 113 -22.333 6.961 20.362 821 HG3 PRO 113 2HG PRO 113 -23.641 6.669 21.523 822 HD2 PRO 113 1HD PRO 113 -22.480 4.676 20.105 823 HD3 PRO 113 2HD PRO 113 -24.188 4.635 20.586 824 H SER 114 H SER 114 -24.400 7.004 15.767 825 HA SER 114 HA SER 114 -21.662 7.734 15.307 826 HB2 SER 114 1HB SER 114 -24.080 7.306 13.620 827 HB3 SER 114 2HB SER 114 -22.786 8.301 12.952 828 HG SER 114 HG SER 114 -22.417 6.155 12.413 829 H SER 115 H SER 115 -20.846 9.724 14.679 830 HA SER 115 HA SER 115 -20.618 11.979 15.121 831 HB2 SER 115 1HB SER 115 -21.769 11.557 12.778 832 HB3 SER 115 2HB SER 115 -23.130 12.374 13.546 833 HG SER 115 HG SER 115 -21.323 13.618 12.371 834 H GLY 116 H GLY 116 -21.912 10.800 17.278 835 HA2 GLY 116 1HA GLY 116 -23.979 12.800 17.956 836 HA3 GLY 116 2HA GLY 116 -23.934 11.173 18.618 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -4.885 -24.652 -11.772 2 HA2 GLY 1 1HA GLY 1 -3.889 -22.744 -10.261 3 HA3 GLY 1 2HA GLY 1 -5.591 -22.535 -9.879 4 H SER 2 H SER 2 -6.610 -23.971 -8.530 5 HA SER 2 HA SER 2 -6.688 -25.335 -6.695 6 HB2 SER 2 1HB SER 2 -6.293 -27.634 -7.175 7 HB3 SER 2 2HB SER 2 -6.791 -26.901 -8.700 8 HG SER 2 HG SER 2 -5.017 -27.980 -9.271 9 H SER 3 H SER 3 -4.626 -23.498 -6.474 10 HA SER 3 HA SER 3 -2.660 -23.053 -5.406 11 HB2 SER 3 1HB SER 3 -3.586 -25.512 -3.909 12 HB3 SER 3 2HB SER 3 -2.226 -24.515 -3.392 13 HG SER 3 HG SER 3 -3.978 -23.719 -2.337 14 H GLY 4 H GLY 4 -2.289 -24.384 -7.821 15 HA2 GLY 4 1HA GLY 4 -0.168 -26.345 -7.253 16 HA3 GLY 4 2HA GLY 4 -0.992 -26.154 -8.794 17 H SER 5 H SER 5 1.804 -25.511 -7.105 18 HA SER 5 HA SER 5 2.661 -23.607 -9.167 19 HB2 SER 5 1HB SER 5 2.720 -23.224 -6.211 20 HB3 SER 5 2HB SER 5 4.093 -22.627 -7.143 21 HG SER 5 HG SER 5 2.845 -21.165 -8.082 22 H SER 6 H SER 6 4.883 -23.660 -9.664 23 HA SER 6 HA SER 6 6.673 -25.452 -8.323 24 HB2 SER 6 1HB SER 6 5.327 -26.280 -10.866 25 HB3 SER 6 2HB SER 6 7.004 -26.752 -10.593 26 HG SER 6 HG SER 6 5.258 -27.165 -8.480 27 H GLY 7 H GLY 7 8.324 -24.050 -8.269 28 HA2 GLY 7 1HA GLY 7 10.268 -23.141 -9.224 29 HA3 GLY 7 2HA GLY 7 9.519 -23.262 -10.809 30 H ARG 8 H ARG 8 9.346 -21.463 -7.755 31 HA ARG 8 HA ARG 8 7.901 -19.288 -8.973 32 HB2 ARG 8 1HB ARG 8 9.231 -19.462 -6.262 33 HB3 ARG 8 2HB ARG 8 8.117 -18.204 -6.783 34 HG2 ARG 8 1HG ARG 8 7.198 -21.024 -6.915 35 HG3 ARG 8 2HG ARG 8 7.322 -20.255 -5.332 36 HD2 ARG 8 1HD ARG 8 5.890 -18.428 -6.114 37 HD3 ARG 8 2HD ARG 8 5.765 -19.205 -7.692 38 HE ARG 8 HE ARG 8 4.283 -20.733 -6.802 39 HH11 ARG 8 2HH1 ARG 8 5.703 -18.819 -4.265 40 HH12 ARG 8 1HH1 ARG 8 4.596 -19.369 -3.051 41 HH21 ARG 8 2HH2 ARG 8 2.818 -21.465 -5.214 42 HH22 ARG 8 1HH2 ARG 8 2.955 -20.874 -3.592 43 H VAL 9 H VAL 9 9.085 -18.304 -10.541 44 HA VAL 9 HA VAL 9 11.822 -17.461 -9.937 45 HB VAL 9 HB VAL 9 11.776 -16.696 -12.371 46 HG11 VAL 9 1HG1 VAL 9 12.790 -18.822 -11.458 47 HG12 VAL 9 2HG1 VAL 9 11.322 -19.646 -11.988 48 HG13 VAL 9 3HG1 VAL 9 12.361 -18.845 -13.168 49 HG21 VAL 9 1HG2 VAL 9 10.085 -17.637 -13.811 50 HG22 VAL 9 2HG2 VAL 9 9.305 -18.426 -12.439 51 HG23 VAL 9 3HG2 VAL 9 9.306 -16.666 -12.561 52 H GLU 10 H GLU 10 12.430 -15.372 -9.700 53 HA GLU 10 HA GLU 10 10.282 -13.397 -9.501 54 HB2 GLU 10 1HB GLU 10 12.076 -13.890 -7.673 55 HB3 GLU 10 2HB GLU 10 13.121 -12.894 -8.676 56 HG2 GLU 10 1HG GLU 10 11.840 -10.985 -8.334 57 HG3 GLU 10 2HG GLU 10 10.436 -11.908 -7.802 58 H THR 11 H THR 11 12.647 -14.371 -11.661 59 HA THR 11 HA THR 11 13.831 -13.304 -13.343 60 HB THR 11 HB THR 11 12.248 -12.145 -14.924 61 HG1 THR 11 1HG THR 11 10.342 -12.836 -12.916 62 HG21 THR 11 1HG2 THR 11 11.103 -14.150 -15.548 63 HG22 THR 11 2HG2 THR 11 11.209 -14.788 -13.908 64 HG23 THR 11 3HG2 THR 11 12.667 -14.622 -14.885 65 H GLN 12 H GLN 12 13.993 -11.818 -10.884 66 HA GLN 12 HA GLN 12 13.435 -9.191 -10.817 67 HB2 GLN 12 1HB GLN 12 15.839 -8.891 -9.889 68 HB3 GLN 12 2HB GLN 12 14.720 -9.943 -9.033 69 HG2 GLN 12 1HG GLN 12 15.738 -11.895 -10.035 70 HG3 GLN 12 2HG GLN 12 16.814 -10.872 -10.985 71 HE21 GLN 12 1HE2 GLN 12 17.523 -12.933 -9.105 72 HE22 GLN 12 2HE2 GLN 12 18.463 -12.178 -7.868 73 HA PRO 13 HA PRO 13 15.053 -7.856 -14.798 74 HB2 PRO 13 1HB PRO 13 13.833 -5.431 -14.733 75 HB3 PRO 13 2HB PRO 13 12.992 -6.918 -15.187 76 HG2 PRO 13 1HG PRO 13 13.008 -5.476 -12.563 77 HG3 PRO 13 2HG PRO 13 11.645 -6.211 -13.428 78 HD2 PRO 13 1HD PRO 13 12.880 -7.431 -11.350 79 HD3 PRO 13 2HD PRO 13 12.165 -8.335 -12.700 80 H GLU 14 H GLU 14 16.137 -5.744 -15.485 81 HA GLU 14 HA GLU 14 18.425 -5.299 -14.011 82 HB2 GLU 14 1HB GLU 14 17.031 -3.554 -16.036 83 HB3 GLU 14 2HB GLU 14 18.596 -3.140 -15.350 84 HG2 GLU 14 1HG GLU 14 17.997 -5.675 -16.857 85 HG3 GLU 14 2HG GLU 14 18.750 -4.239 -17.549 86 H VAL 15 H VAL 15 19.103 -3.032 -13.204 87 HA VAL 15 HA VAL 15 17.240 -2.316 -11.086 88 HB VAL 15 HB VAL 15 19.153 -0.899 -10.264 89 HG11 VAL 15 1HG1 VAL 15 20.103 -2.667 -9.153 90 HG12 VAL 15 2HG1 VAL 15 18.626 -3.423 -9.755 91 HG13 VAL 15 3HG1 VAL 15 20.157 -3.685 -10.592 92 HG21 VAL 15 1HG2 VAL 15 20.130 -1.060 -12.755 93 HG22 VAL 15 2HG2 VAL 15 21.139 -0.752 -11.342 94 HG23 VAL 15 3HG2 VAL 15 21.024 -2.382 -12.005 95 H GLN 16 H GLN 16 15.906 -1.424 -13.037 96 HA GLN 16 HA GLN 16 16.504 1.450 -13.224 97 HB2 GLN 16 1HB GLN 16 15.561 1.444 -15.513 98 HB3 GLN 16 2HB GLN 16 17.026 0.479 -15.379 99 HG2 GLN 16 1HG GLN 16 15.562 -1.541 -15.155 100 HG3 GLN 16 2HG GLN 16 14.192 -0.505 -15.553 101 HE21 GLN 16 1HE2 GLN 16 17.256 -1.753 -16.733 102 HE22 GLN 16 2HE2 GLN 16 16.887 -1.594 -18.413 103 H LEU 17 H LEU 17 14.896 0.370 -11.256 104 HA LEU 17 HA LEU 17 12.168 1.013 -12.155 105 HB2 LEU 17 1HB LEU 17 13.261 -0.838 -10.107 106 HB3 LEU 17 2HB LEU 17 11.707 -0.075 -9.780 107 HG LEU 17 HG LEU 17 11.476 -2.323 -10.748 108 HD11 LEU 17 1HD1 LEU 17 10.523 -0.012 -12.426 109 HD12 LEU 17 2HD1 LEU 17 9.670 -0.813 -11.107 110 HD13 LEU 17 3HD1 LEU 17 9.953 -1.670 -12.622 111 HD21 LEU 17 1HD2 LEU 17 12.721 -1.134 -13.223 112 HD22 LEU 17 2HD2 LEU 17 12.119 -2.779 -13.020 113 HD23 LEU 17 3HD2 LEU 17 13.539 -2.242 -12.122 114 HA PRO 18 HA PRO 18 11.961 4.586 -9.617 115 HB2 PRO 18 1HB PRO 18 9.449 4.448 -8.598 116 HB3 PRO 18 2HB PRO 18 9.779 4.830 -10.292 117 HG2 PRO 18 1HG PRO 18 8.969 2.224 -9.062 118 HG3 PRO 18 2HG PRO 18 8.391 2.983 -10.557 119 HD2 PRO 18 1HD PRO 18 10.226 0.991 -10.549 120 HD3 PRO 18 2HD PRO 18 10.221 2.281 -11.769 121 H GLY 19 H GLY 19 11.483 5.385 -7.373 122 HA2 GLY 19 1HA GLY 19 12.464 3.407 -5.452 123 HA3 GLY 19 2HA GLY 19 12.459 5.151 -5.233 124 HA PRO 20 HA PRO 20 8.849 3.048 -3.004 125 HB2 PRO 20 1HB PRO 20 9.701 3.494 -0.465 126 HB3 PRO 20 2HB PRO 20 10.109 2.033 -1.373 127 HG2 PRO 20 1HG PRO 20 11.745 4.499 -0.917 128 HG3 PRO 20 2HG PRO 20 12.243 2.798 -0.855 129 HD2 PRO 20 1HD PRO 20 12.725 4.380 -2.999 130 HD3 PRO 20 2HD PRO 20 12.424 2.637 -3.148 131 H ALA 21 H ALA 21 7.173 4.394 -2.933 132 HA ALA 21 HA ALA 21 7.310 7.169 -2.911 133 HB1 ALA 21 1HB ALA 21 5.247 5.170 -2.874 134 HB2 ALA 21 2HB ALA 21 4.817 6.517 -1.818 135 HB3 ALA 21 3HB ALA 21 5.203 6.814 -3.513 136 HA PRO 22 HA PRO 22 8.384 7.692 1.420 137 HB2 PRO 22 1HB PRO 22 8.837 10.362 1.225 138 HB3 PRO 22 2HB PRO 22 10.013 9.148 0.707 139 HG2 PRO 22 1HG PRO 22 8.069 10.724 -0.936 140 HG3 PRO 22 2HG PRO 22 9.769 10.345 -1.271 141 HD2 PRO 22 1HD PRO 22 7.722 8.988 -2.411 142 HD3 PRO 22 2HD PRO 22 9.278 8.224 -2.028 143 H ASN 23 H ASN 23 7.708 9.554 3.021 144 HA ASN 23 HA ASN 23 5.951 10.241 4.319 145 HB2 ASN 23 1HB ASN 23 5.049 11.443 1.693 146 HB3 ASN 23 2HB ASN 23 4.617 12.002 3.306 147 HD21 ASN 23 1HD2 ASN 23 6.862 12.121 4.669 148 HD22 ASN 23 2HD2 ASN 23 8.013 13.174 3.927 149 H LEU 24 H LEU 24 5.533 7.648 3.643 150 HA LEU 24 HA LEU 24 2.922 7.292 2.474 151 HB2 LEU 24 1HB LEU 24 4.584 5.592 2.120 152 HB3 LEU 24 2HB LEU 24 4.806 5.391 3.857 153 HG LEU 24 HG LEU 24 2.489 4.511 4.000 154 HD11 LEU 24 1HD1 LEU 24 1.735 3.676 1.595 155 HD12 LEU 24 2HD1 LEU 24 2.568 5.152 1.108 156 HD13 LEU 24 3HD1 LEU 24 1.230 5.232 2.254 157 HD21 LEU 24 1HD2 LEU 24 4.421 3.109 2.161 158 HD22 LEU 24 2HD2 LEU 24 2.997 2.345 2.868 159 HD23 LEU 24 3HD2 LEU 24 4.289 2.940 3.912 160 H ARG 25 H ARG 25 1.265 8.070 3.640 161 HA ARG 25 HA ARG 25 1.141 7.370 6.498 162 HB2 ARG 25 1HB ARG 25 -0.467 9.533 5.149 163 HB3 ARG 25 2HB ARG 25 -0.201 9.294 6.871 164 HG2 ARG 25 1HG ARG 25 2.090 9.872 5.037 165 HG3 ARG 25 2HG ARG 25 1.073 11.172 5.662 166 HD2 ARG 25 1HD ARG 25 2.226 9.145 7.532 167 HD3 ARG 25 2HD ARG 25 3.233 10.468 6.943 168 HE ARG 25 HE ARG 25 0.938 11.662 7.851 169 HH11 ARG 25 2HH1 ARG 25 3.382 9.591 9.212 170 HH12 ARG 25 1HH1 ARG 25 3.220 10.232 10.814 171 HH21 ARG 25 2HH2 ARG 25 0.714 12.515 9.955 172 HH22 ARG 25 1HH2 ARG 25 1.701 11.895 11.235 173 H ALA 26 H ALA 26 -0.975 6.837 7.368 174 HA ALA 26 HA ALA 26 -3.056 6.074 5.504 175 HB1 ALA 26 1HB ALA 26 -1.178 4.134 6.608 176 HB2 ALA 26 2HB ALA 26 -2.868 3.727 6.908 177 HB3 ALA 26 3HB ALA 26 -2.302 3.984 5.258 178 H TYR 27 H TYR 27 -4.974 6.445 6.406 179 HA TYR 27 HA TYR 27 -5.314 6.117 9.290 180 HB2 TYR 27 1HB TYR 27 -6.572 8.341 9.310 181 HB3 TYR 27 2HB TYR 27 -4.816 8.425 9.239 182 HD1 TYR 27 2HD TYR 27 -3.686 9.155 7.201 183 HD2 TYR 27 1HD TYR 27 -7.933 9.033 7.432 184 HE1 TYR 27 2HE TYR 27 -3.831 10.554 5.183 185 HE2 TYR 27 1HE TYR 27 -8.089 10.431 5.415 186 HH TYR 27 HH TYR 27 -6.120 12.282 4.302 187 H ALA 28 H ALA 28 -7.355 5.523 9.904 188 HA ALA 28 HA ALA 28 -9.087 4.547 7.823 189 HB1 ALA 28 1HB ALA 28 -8.538 3.664 10.311 190 HB2 ALA 28 2HB ALA 28 -10.059 4.507 10.602 191 HB3 ALA 28 3HB ALA 28 -9.983 3.215 9.405 192 H ALA 29 H ALA 29 -10.246 6.039 6.756 193 HA ALA 29 HA ALA 29 -11.253 8.418 7.973 194 HB1 ALA 29 1HB ALA 29 -10.625 8.169 5.554 195 HB2 ALA 29 2HB ALA 29 -12.111 7.245 5.337 196 HB3 ALA 29 3HB ALA 29 -12.188 8.930 5.850 197 H SER 30 H SER 30 -12.509 5.220 7.390 198 HA SER 30 HA SER 30 -14.841 5.839 9.003 199 HB2 SER 30 1HB SER 30 -14.986 5.140 6.091 200 HB3 SER 30 2HB SER 30 -16.259 4.591 7.180 201 HG SER 30 HG SER 30 -16.303 6.825 6.054 202 HA PRO 31 HA PRO 31 -14.343 1.724 10.437 203 HB2 PRO 31 1HB PRO 31 -16.906 0.971 10.924 204 HB3 PRO 31 2HB PRO 31 -16.042 2.144 11.926 205 HG2 PRO 31 1HG PRO 31 -18.023 2.621 9.733 206 HG3 PRO 31 2HG PRO 31 -17.888 3.417 11.312 207 HD2 PRO 31 1HD PRO 31 -16.964 4.543 9.029 208 HD3 PRO 31 2HD PRO 31 -16.193 4.810 10.605 209 H THR 32 H THR 32 -15.546 2.352 7.444 210 HA THR 32 HA THR 32 -15.729 -0.515 6.798 211 HB THR 32 HB THR 32 -17.404 -0.008 5.068 212 HG1 THR 32 1HG THR 32 -18.156 2.015 4.775 213 HG21 THR 32 1HG2 THR 32 -18.982 1.129 7.123 214 HG22 THR 32 2HG2 THR 32 -17.809 0.062 7.895 215 HG23 THR 32 3HG2 THR 32 -18.879 -0.563 6.641 216 H SER 33 H SER 33 -14.182 2.399 6.293 217 HA SER 33 HA SER 33 -12.876 1.346 3.892 218 HB2 SER 33 1HB SER 33 -13.237 3.200 2.585 219 HB3 SER 33 2HB SER 33 -14.721 3.241 3.537 220 HG SER 33 HG SER 33 -14.094 5.082 4.304 221 H ILE 34 H ILE 34 -10.929 2.907 3.363 222 HA ILE 34 HA ILE 34 -9.695 4.016 5.746 223 HB ILE 34 HB ILE 34 -8.471 1.681 4.273 224 HG12 ILE 34 1HG1 ILE 34 -9.118 1.968 7.210 225 HG13 ILE 34 2HG1 ILE 34 -10.208 1.217 6.051 226 HG21 ILE 34 1HG2 ILE 34 -6.575 2.860 4.677 227 HG22 ILE 34 2HG2 ILE 34 -7.294 3.774 6.002 228 HG23 ILE 34 3HG2 ILE 34 -6.753 2.117 6.266 229 HD11 ILE 34 1HD1 ILE 34 -7.407 0.231 6.279 230 HD12 ILE 34 2HD1 ILE 34 -8.606 -0.240 7.483 231 HD13 ILE 34 3HD1 ILE 34 -8.866 -0.624 5.782 232 H THR 35 H THR 35 -8.742 5.848 5.182 233 HA THR 35 HA THR 35 -8.132 6.349 2.377 234 HB THR 35 HB THR 35 -8.107 8.211 4.760 235 HG1 THR 35 1HG THR 35 -9.879 8.454 2.602 236 HG21 THR 35 1HG2 THR 35 -7.681 10.003 3.290 237 HG22 THR 35 2HG2 THR 35 -7.970 9.009 1.862 238 HG23 THR 35 3HG2 THR 35 -6.521 8.756 2.835 239 H VAL 36 H VAL 36 -6.147 6.248 1.562 240 HA VAL 36 HA VAL 36 -3.858 6.372 3.418 241 HB VAL 36 HB VAL 36 -3.998 4.725 0.890 242 HG11 VAL 36 1HG1 VAL 36 -1.803 5.682 2.301 243 HG12 VAL 36 2HG1 VAL 36 -1.976 4.006 2.827 244 HG13 VAL 36 3HG1 VAL 36 -1.810 4.381 1.111 245 HG21 VAL 36 1HG2 VAL 36 -5.117 3.213 2.077 246 HG22 VAL 36 2HG2 VAL 36 -3.689 3.044 3.099 247 HG23 VAL 36 3HG2 VAL 36 -4.967 4.175 3.548 248 H THR 37 H THR 37 -2.262 7.757 2.929 249 HA THR 37 HA THR 37 -2.289 9.018 0.265 250 HB THR 37 HB THR 37 -1.677 11.153 1.261 251 HG1 THR 37 1HG THR 37 -0.608 10.512 3.123 252 HG21 THR 37 1HG2 THR 37 -3.925 10.784 3.008 253 HG22 THR 37 2HG2 THR 37 -4.184 9.897 1.506 254 HG23 THR 37 3HG2 THR 37 -3.844 11.626 1.461 255 H TRP 38 H TRP 38 -0.396 9.041 -0.775 256 HA TRP 38 HA TRP 38 2.068 8.629 0.775 257 HB2 TRP 38 1HB TRP 38 2.892 7.148 -1.059 258 HB3 TRP 38 2HB TRP 38 1.526 6.478 -0.171 259 HD1 TRP 38 HD TRP 38 2.566 7.637 -3.621 260 HE1 TRP 38 1HE TRP 38 0.686 7.103 -5.297 261 HE3 TRP 38 3HE TRP 38 -1.094 6.268 -0.325 262 HZ2 TRP 38 2HZ TRP 38 -1.994 6.219 -5.229 263 HZ3 TRP 38 3HZ TRP 38 -3.287 5.592 -1.212 264 HH2 TRP 38 HH TRP 38 -3.726 5.570 -3.613 265 H GLU 39 H GLU 39 4.050 9.140 -0.551 266 HA GLU 39 HA GLU 39 3.495 11.443 -2.304 267 HB2 GLU 39 1HB GLU 39 5.591 10.993 -0.209 268 HB3 GLU 39 2HB GLU 39 5.911 12.091 -1.544 269 HG2 GLU 39 1HG GLU 39 3.520 12.328 0.261 270 HG3 GLU 39 2HG GLU 39 5.048 13.159 0.546 271 H THR 40 H THR 40 5.278 11.923 -3.867 272 HA THR 40 HA THR 40 5.978 9.478 -5.258 273 HB THR 40 HB THR 40 6.443 12.361 -6.050 274 HG1 THR 40 1HG THR 40 4.194 11.202 -5.888 275 HG21 THR 40 1HG2 THR 40 7.944 10.572 -7.078 276 HG22 THR 40 2HG2 THR 40 7.037 11.588 -8.198 277 HG23 THR 40 3HG2 THR 40 6.486 9.950 -7.849 278 HA PRO 41 HA PRO 41 10.112 9.294 -3.712 279 HB2 PRO 41 1HB PRO 41 11.137 7.622 -5.589 280 HB3 PRO 41 2HB PRO 41 10.060 7.073 -4.299 281 HG2 PRO 41 1HG PRO 41 9.426 7.708 -7.155 282 HG3 PRO 41 2HG PRO 41 8.866 6.352 -6.159 283 HD2 PRO 41 1HD PRO 41 7.340 8.537 -6.635 284 HD3 PRO 41 2HD PRO 41 7.249 7.621 -5.117 285 H VAL 42 H VAL 42 11.435 10.987 -3.915 286 HA VAL 42 HA VAL 42 11.751 12.648 -6.088 287 HB VAL 42 HB VAL 42 13.923 13.336 -5.087 288 HG11 VAL 42 1HG1 VAL 42 11.723 13.007 -3.051 289 HG12 VAL 42 2HG1 VAL 42 12.984 14.241 -3.064 290 HG13 VAL 42 3HG1 VAL 42 11.742 14.234 -4.317 291 HG21 VAL 42 1HG2 VAL 42 14.704 12.308 -3.046 292 HG22 VAL 42 2HG2 VAL 42 13.355 11.172 -3.061 293 HG23 VAL 42 3HG2 VAL 42 14.596 11.084 -4.311 294 H SER 43 H SER 43 13.498 9.686 -5.315 295 HA SER 43 HA SER 43 15.210 9.978 -7.649 296 HB2 SER 43 1HB SER 43 15.063 7.928 -5.437 297 HB3 SER 43 2HB SER 43 16.118 7.736 -6.837 298 HG SER 43 HG SER 43 16.239 10.167 -5.492 299 H GLY 44 H GLY 44 14.925 8.972 -9.549 300 HA2 GLY 44 1HA GLY 44 13.561 6.527 -9.907 301 HA3 GLY 44 2HA GLY 44 12.464 7.853 -10.260 302 H ASN 45 H ASN 45 14.060 5.689 -11.839 303 HA ASN 45 HA ASN 45 15.852 6.931 -13.564 304 HB2 ASN 45 1HB ASN 45 15.445 4.468 -13.403 305 HB3 ASN 45 2HB ASN 45 13.943 4.701 -14.292 306 HD21 ASN 45 1HD2 ASN 45 14.901 3.199 -15.805 307 HD22 ASN 45 2HD2 ASN 45 15.993 3.790 -17.007 308 H GLY 46 H GLY 46 12.328 6.654 -13.769 309 HA2 GLY 46 1HA GLY 46 12.319 8.916 -15.624 310 HA3 GLY 46 2HA GLY 46 11.564 7.425 -16.168 311 H GLU 47 H GLU 47 9.981 9.552 -16.148 312 HA GLU 47 HA GLU 47 8.675 10.195 -13.756 313 HB2 GLU 47 1HB GLU 47 7.560 10.173 -16.567 314 HB3 GLU 47 2HB GLU 47 6.834 10.989 -15.189 315 HG2 GLU 47 1HG GLU 47 9.218 12.130 -15.076 316 HG3 GLU 47 2HG GLU 47 9.216 11.721 -16.791 317 H ILE 48 H ILE 48 7.087 9.257 -12.601 318 HA ILE 48 HA ILE 48 6.544 6.508 -12.926 319 HB ILE 48 HB ILE 48 5.066 8.547 -11.257 320 HG12 ILE 48 1HG1 ILE 48 7.545 8.228 -10.822 321 HG13 ILE 48 2HG1 ILE 48 6.485 7.920 -9.451 322 HG21 ILE 48 1HG2 ILE 48 4.870 6.069 -10.038 323 HG22 ILE 48 2HG2 ILE 48 3.594 6.913 -10.914 324 HG23 ILE 48 3HG2 ILE 48 4.602 5.730 -11.748 325 HD11 ILE 48 1HD1 ILE 48 7.654 6.037 -9.233 326 HD12 ILE 48 2HD1 ILE 48 6.682 5.449 -10.583 327 HD13 ILE 48 3HD1 ILE 48 8.284 6.125 -10.878 328 H GLN 49 H GLN 49 4.896 5.423 -13.859 329 HA GLN 49 HA GLN 49 3.160 6.911 -15.640 330 HB2 GLN 49 1HB GLN 49 3.434 3.931 -15.212 331 HB3 GLN 49 2HB GLN 49 2.504 4.699 -16.491 332 HG2 GLN 49 1HG GLN 49 5.468 5.059 -16.141 333 HG3 GLN 49 2HG GLN 49 4.742 3.828 -17.174 334 HE21 GLN 49 1HE2 GLN 49 3.814 4.415 -19.099 335 HE22 GLN 49 2HE2 GLN 49 3.973 5.995 -19.780 336 H ASN 50 H ASN 50 2.702 4.440 -13.108 337 HA ASN 50 HA ASN 50 0.246 5.777 -12.288 338 HB2 ASN 50 1HB ASN 50 -0.532 4.161 -13.944 339 HB3 ASN 50 2HB ASN 50 0.331 2.867 -13.116 340 HD21 ASN 50 1HD2 ASN 50 -2.037 5.412 -12.403 341 HD22 ASN 50 2HD2 ASN 50 -3.043 4.430 -11.399 342 H TYR 51 H TYR 51 -0.616 4.864 -10.240 343 HA TYR 51 HA TYR 51 1.589 3.843 -8.574 344 HB2 TYR 51 1HB TYR 51 -0.724 5.658 -7.885 345 HB3 TYR 51 2HB TYR 51 0.309 4.912 -6.670 346 HD1 TYR 51 1HD TYR 51 2.736 5.506 -6.593 347 HD2 TYR 51 2HD TYR 51 -0.020 7.581 -9.084 348 HE1 TYR 51 1HE TYR 51 4.337 7.361 -6.809 349 HE2 TYR 51 2HE TYR 51 1.574 9.441 -9.308 350 HH TYR 51 HH TYR 51 4.592 9.340 -8.871 351 H LYS 52 H LYS 52 1.292 2.056 -7.357 352 HA LYS 52 HA LYS 52 -1.320 0.716 -7.583 353 HB2 LYS 52 1HB LYS 52 0.936 -0.296 -8.488 354 HB3 LYS 52 2HB LYS 52 1.179 -0.733 -6.802 355 HG2 LYS 52 1HG LYS 52 0.202 -2.601 -7.873 356 HG3 LYS 52 2HG LYS 52 -1.055 -1.869 -6.873 357 HD2 LYS 52 1HD LYS 52 -2.204 -2.216 -8.834 358 HD3 LYS 52 2HD LYS 52 -1.620 -0.568 -9.078 359 HE2 LYS 52 1HE LYS 52 0.440 -1.810 -10.141 360 HE3 LYS 52 2HE LYS 52 -0.729 -3.114 -10.346 361 HZ1 LYS 52 1HZ LYS 52 -0.497 -0.625 -11.762 362 HZ2 LYS 52 2HZ LYS 52 -2.072 -0.940 -11.233 363 HZ3 LYS 52 3HZ LYS 52 -1.271 -2.059 -12.217 364 H LEU 53 H LEU 53 -2.463 0.309 -5.797 365 HA LEU 53 HA LEU 53 -1.112 0.557 -3.192 366 HB2 LEU 53 1HB LEU 53 -2.394 2.514 -3.381 367 HB3 LEU 53 2HB LEU 53 -3.752 1.654 -4.103 368 HG LEU 53 HG LEU 53 -4.139 0.557 -1.896 369 HD11 LEU 53 1HD1 LEU 53 -1.799 2.253 -1.190 370 HD12 LEU 53 2HD1 LEU 53 -2.212 0.621 -0.667 371 HD13 LEU 53 3HD1 LEU 53 -3.063 2.006 0.015 372 HD21 LEU 53 1HD2 LEU 53 -4.310 3.376 -1.174 373 HD22 LEU 53 2HD2 LEU 53 -5.589 2.184 -1.403 374 HD23 LEU 53 3HD2 LEU 53 -4.912 3.031 -2.795 375 H TYR 54 H TYR 54 -0.990 -1.468 -2.448 376 HA TYR 54 HA TYR 54 -3.116 -3.374 -2.958 377 HB2 TYR 54 1HB TYR 54 -0.484 -3.633 -1.494 378 HB3 TYR 54 2HB TYR 54 -1.618 -4.958 -1.730 379 HD1 TYR 54 2HD TYR 54 -0.057 -2.311 -3.871 380 HD2 TYR 54 1HD TYR 54 -1.025 -6.427 -3.395 381 HE1 TYR 54 2HE TYR 54 0.977 -2.800 -6.049 382 HE2 TYR 54 1HE TYR 54 0.007 -6.927 -5.571 383 HH TYR 54 HH TYR 54 0.979 -4.437 -7.760 384 H TYR 55 H TYR 55 -4.083 -4.629 -1.215 385 HA TYR 55 HA TYR 55 -4.009 -3.579 1.465 386 HB2 TYR 55 1HB TYR 55 -6.331 -2.910 1.597 387 HB3 TYR 55 2HB TYR 55 -5.547 -2.002 0.308 388 HD1 TYR 55 1HD TYR 55 -5.820 -2.949 -2.095 389 HD2 TYR 55 2HD TYR 55 -8.325 -4.026 1.171 390 HE1 TYR 55 1HE TYR 55 -7.553 -3.687 -3.676 391 HE2 TYR 55 2HE TYR 55 -10.065 -4.768 -0.401 392 HH TYR 55 HH TYR 55 -10.062 -3.986 -3.649 393 H MET 56 H MET 56 -4.580 -5.093 2.932 394 HA MET 56 HA MET 56 -6.301 -7.301 2.240 395 HB2 MET 56 1HB MET 56 -4.790 -9.027 2.214 396 HB3 MET 56 2HB MET 56 -3.811 -7.761 1.486 397 HG2 MET 56 1HG MET 56 -3.027 -7.298 3.898 398 HG3 MET 56 2HG MET 56 -3.671 -8.901 4.244 399 HE1 MET 56 1HE MET 56 -2.094 -10.053 4.959 400 HE2 MET 56 2HE MET 56 -1.270 -11.124 3.825 401 HE3 MET 56 3HE MET 56 -0.378 -9.826 4.619 402 H GLU 57 H GLU 57 -6.686 -8.741 4.101 403 HA GLU 57 HA GLU 57 -6.786 -7.184 6.540 404 HB2 GLU 57 1HB GLU 57 -8.698 -8.595 5.637 405 HB3 GLU 57 2HB GLU 57 -7.777 -10.004 6.142 406 HG2 GLU 57 1HG GLU 57 -7.730 -8.694 8.439 407 HG3 GLU 57 2HG GLU 57 -9.195 -7.976 7.772 408 H LYS 58 H LYS 58 -5.640 -7.524 8.364 409 HA LYS 58 HA LYS 58 -3.193 -8.873 8.274 410 HB2 LYS 58 1HB LYS 58 -4.161 -7.018 9.901 411 HB3 LYS 58 2HB LYS 58 -4.530 -8.415 10.903 412 HG2 LYS 58 1HG LYS 58 -2.465 -7.928 11.702 413 HG3 LYS 58 2HG LYS 58 -2.003 -9.001 10.378 414 HD2 LYS 58 1HD LYS 58 -1.905 -6.832 8.971 415 HD3 LYS 58 2HD LYS 58 -1.849 -6.012 10.533 416 HE2 LYS 58 1HE LYS 58 0.055 -8.179 9.651 417 HE3 LYS 58 2HE LYS 58 0.392 -6.450 9.570 418 HZ1 LYS 58 1HZ LYS 58 1.273 -7.679 11.571 419 HZ2 LYS 58 2HZ LYS 58 -0.328 -7.802 12.104 420 HZ3 LYS 58 3HZ LYS 58 0.379 -6.279 11.896 421 H GLY 59 H GLY 59 -3.130 -11.014 7.875 422 HA2 GLY 59 1HA GLY 59 -3.029 -13.155 9.029 423 HA3 GLY 59 2HA GLY 59 -4.570 -12.756 9.774 424 H THR 60 H THR 60 -3.677 -12.374 6.377 425 HA THR 60 HA THR 60 -5.603 -14.495 5.696 426 HB THR 60 HB THR 60 -5.324 -12.150 3.872 427 HG1 THR 60 1HG THR 60 -6.086 -10.857 5.357 428 HG21 THR 60 1HG2 THR 60 -7.574 -14.021 4.615 429 HG22 THR 60 2HG2 THR 60 -6.640 -14.022 3.119 430 HG23 THR 60 3HG2 THR 60 -7.726 -12.680 3.479 431 H ASP 61 H ASP 61 -2.797 -12.601 4.698 432 HA ASP 61 HA ASP 61 -0.957 -13.187 3.481 433 HB2 ASP 61 1HB ASP 61 -1.479 -15.486 4.634 434 HB3 ASP 61 2HB ASP 61 -2.015 -15.952 3.022 435 H LYS 62 H LYS 62 -3.490 -12.221 2.337 436 HA LYS 62 HA LYS 62 -2.846 -12.748 -0.447 437 HB2 LYS 62 1HB LYS 62 -5.364 -13.620 0.873 438 HB3 LYS 62 2HB LYS 62 -5.498 -12.922 -0.735 439 HG2 LYS 62 1HG LYS 62 -3.505 -15.083 -0.239 440 HG3 LYS 62 2HG LYS 62 -5.211 -15.492 -0.429 441 HD2 LYS 62 1HD LYS 62 -3.953 -13.675 -2.425 442 HD3 LYS 62 2HD LYS 62 -3.580 -15.399 -2.502 443 HE2 LYS 62 1HE LYS 62 -5.424 -15.323 -3.855 444 HE3 LYS 62 2HE LYS 62 -6.194 -15.631 -2.299 445 HZ1 LYS 62 1HZ LYS 62 -7.182 -13.643 -2.315 446 HZ2 LYS 62 2HZ LYS 62 -6.844 -13.623 -3.972 447 HZ3 LYS 62 3HZ LYS 62 -5.810 -12.836 -2.888 448 H GLU 63 H GLU 63 -2.463 -10.733 -1.111 449 HA GLU 63 HA GLU 63 -4.334 -8.610 -0.297 450 HB2 GLU 63 1HB GLU 63 -2.576 -7.020 -0.650 451 HB3 GLU 63 2HB GLU 63 -1.935 -8.320 0.345 452 HG2 GLU 63 1HG GLU 63 -1.574 -8.464 -2.603 453 HG3 GLU 63 2HG GLU 63 -0.572 -7.352 -1.671 454 H GLN 64 H GLN 64 -4.759 -6.919 -1.918 455 HA GLN 64 HA GLN 64 -4.834 -8.050 -4.638 456 HB2 GLN 64 1HB GLN 64 -6.862 -6.534 -3.054 457 HB3 GLN 64 2HB GLN 64 -6.838 -6.338 -4.801 458 HG2 GLN 64 1HG GLN 64 -6.919 -9.054 -3.546 459 HG3 GLN 64 2HG GLN 64 -8.386 -8.107 -3.788 460 HE21 GLN 64 1HE2 GLN 64 -8.318 -7.054 -6.128 461 HE22 GLN 64 2HE2 GLN 64 -8.051 -8.201 -7.392 462 H ASP 65 H ASP 65 -5.476 -6.011 -6.179 463 HA ASP 65 HA ASP 65 -3.640 -3.807 -5.557 464 HB2 ASP 65 1HB ASP 65 -2.446 -3.979 -7.540 465 HB3 ASP 65 2HB ASP 65 -2.683 -5.673 -7.117 466 H VAL 66 H VAL 66 -4.442 -1.852 -6.013 467 HA VAL 66 HA VAL 66 -6.798 -1.696 -7.779 468 HB VAL 66 HB VAL 66 -7.770 0.001 -6.377 469 HG11 VAL 66 1HG1 VAL 66 -7.214 -1.758 -4.157 470 HG12 VAL 66 2HG1 VAL 66 -8.706 -1.542 -5.075 471 HG13 VAL 66 3HG1 VAL 66 -7.474 -2.669 -5.644 472 HG21 VAL 66 1HG2 VAL 66 -5.108 -0.042 -5.100 473 HG22 VAL 66 2HG2 VAL 66 -6.217 1.303 -5.369 474 HG23 VAL 66 3HG2 VAL 66 -6.487 0.192 -4.026 475 H ASP 67 H ASP 67 -6.355 -0.549 -9.531 476 HA ASP 67 HA ASP 67 -4.069 1.126 -9.758 477 HB2 ASP 67 1HB ASP 67 -4.625 1.343 -12.000 478 HB3 ASP 67 2HB ASP 67 -5.389 -0.191 -11.592 479 H VAL 68 H VAL 68 -3.853 3.123 -9.022 480 HA VAL 68 HA VAL 68 -6.252 4.828 -8.846 481 HB VAL 68 HB VAL 68 -3.869 4.813 -6.989 482 HG11 VAL 68 1HG1 VAL 68 -4.986 6.555 -5.755 483 HG12 VAL 68 2HG1 VAL 68 -4.785 7.073 -7.430 484 HG13 VAL 68 3HG1 VAL 68 -6.358 6.511 -6.861 485 HG21 VAL 68 1HG2 VAL 68 -5.001 3.241 -5.894 486 HG22 VAL 68 2HG2 VAL 68 -6.228 4.460 -5.549 487 HG23 VAL 68 3HG2 VAL 68 -6.396 3.416 -6.960 488 H SER 69 H SER 69 -6.041 6.996 -9.399 489 HA SER 69 HA SER 69 -3.689 7.598 -11.043 490 HB2 SER 69 1HB SER 69 -5.071 9.321 -12.091 491 HB3 SER 69 2HB SER 69 -5.910 7.770 -12.120 492 HG SER 69 HG SER 69 -7.337 8.490 -10.693 493 H SER 70 H SER 70 -5.634 8.870 -8.390 494 HA SER 70 HA SER 70 -3.973 11.217 -8.099 495 HB2 SER 70 1HB SER 70 -6.106 10.179 -6.219 496 HB3 SER 70 2HB SER 70 -5.436 11.810 -6.268 497 HG SER 70 HG SER 70 -6.852 10.590 -8.404 498 H HIS 71 H HIS 71 -2.942 11.736 -6.009 499 HA HIS 71 HA HIS 71 -1.102 9.737 -5.261 500 HB2 HIS 71 1HB HIS 71 -1.777 12.466 -4.230 501 HB3 HIS 71 2HB HIS 71 -0.700 11.432 -3.295 502 HD1 HIS 71 1HD HIS 71 -0.502 14.030 -5.635 503 HD2 HIS 71 2HD HIS 71 1.444 10.379 -5.254 504 HE1 HIS 71 1HE HIS 71 1.610 14.251 -6.982 505 HE2 HIS 71 2HE HIS 71 2.729 12.001 -6.806 506 H SER 72 H SER 72 -4.086 10.891 -3.790 507 HA SER 72 HA SER 72 -3.808 8.837 -1.700 508 HB2 SER 72 1HB SER 72 -4.121 10.818 -0.533 509 HB3 SER 72 2HB SER 72 -5.174 11.502 -1.771 510 HG SER 72 HG SER 72 -5.863 10.207 0.443 511 H TYR 73 H TYR 73 -5.623 7.536 -1.170 512 HA TYR 73 HA TYR 73 -7.919 7.567 -2.945 513 HB2 TYR 73 1HB TYR 73 -6.305 6.217 -4.198 514 HB3 TYR 73 2HB TYR 73 -6.067 5.178 -2.797 515 HD1 TYR 73 1HD TYR 73 -7.752 3.549 -2.153 516 HD2 TYR 73 2HD TYR 73 -8.326 6.062 -5.538 517 HE1 TYR 73 1HE TYR 73 -9.590 2.101 -2.909 518 HE2 TYR 73 2HE TYR 73 -10.167 4.621 -6.303 519 HH TYR 73 HH TYR 73 -11.853 2.812 -4.754 520 H THR 74 H THR 74 -9.638 6.168 -2.232 521 HA THR 74 HA THR 74 -9.391 5.409 0.607 522 HB THR 74 HB THR 74 -11.857 6.443 -0.807 523 HG1 THR 74 1HG THR 74 -9.922 7.857 -0.008 524 HG21 THR 74 1HG2 THR 74 -11.446 5.821 2.119 525 HG22 THR 74 2HG2 THR 74 -12.298 4.773 0.985 526 HG23 THR 74 3HG2 THR 74 -12.932 6.377 1.351 527 H ILE 75 H ILE 75 -9.638 3.316 1.001 528 HA ILE 75 HA ILE 75 -10.899 1.630 -1.040 529 HB ILE 75 HB ILE 75 -9.061 0.951 1.252 530 HG12 ILE 75 1HG1 ILE 75 -8.705 0.498 -1.713 531 HG13 ILE 75 2HG1 ILE 75 -8.130 1.941 -0.886 532 HG21 ILE 75 1HG2 ILE 75 -10.847 -0.765 -0.371 533 HG22 ILE 75 2HG2 ILE 75 -9.219 -1.364 -0.054 534 HG23 ILE 75 3HG2 ILE 75 -10.287 -0.960 1.290 535 HD11 ILE 75 1HD1 ILE 75 -6.662 0.608 0.488 536 HD12 ILE 75 2HD1 ILE 75 -7.288 -0.873 -0.237 537 HD13 ILE 75 3HD1 ILE 75 -6.370 0.269 -1.218 538 H ASN 76 H ASN 76 -13.039 1.514 -0.688 539 HA ASN 76 HA ASN 76 -14.042 1.228 2.042 540 HB2 ASN 76 1HB ASN 76 -16.300 1.299 0.675 541 HB3 ASN 76 2HB ASN 76 -15.392 2.775 0.991 542 HD21 ASN 76 1HD2 ASN 76 -14.589 3.918 -0.674 543 HD22 ASN 76 2HD2 ASN 76 -14.762 3.475 -2.335 544 H GLY 77 H GLY 77 -16.003 -0.318 2.217 545 HA2 GLY 77 1HA GLY 77 -16.940 -2.425 1.924 546 HA3 GLY 77 2HA GLY 77 -15.852 -2.690 0.570 547 H LEU 78 H LEU 78 -15.289 -1.974 4.013 548 HA LEU 78 HA LEU 78 -13.742 -4.476 4.175 549 HB2 LEU 78 1HB LEU 78 -13.078 -1.918 5.618 550 HB3 LEU 78 2HB LEU 78 -12.130 -3.403 5.586 551 HG LEU 78 HG LEU 78 -12.618 -1.620 3.202 552 HD11 LEU 78 1HD1 LEU 78 -11.214 -0.314 4.454 553 HD12 LEU 78 2HD1 LEU 78 -10.044 -1.315 3.595 554 HD13 LEU 78 3HD1 LEU 78 -10.470 -1.693 5.264 555 HD21 LEU 78 1HD2 LEU 78 -12.226 -3.829 2.451 556 HD22 LEU 78 2HD2 LEU 78 -10.946 -4.083 3.637 557 HD23 LEU 78 3HD2 LEU 78 -10.693 -2.972 2.290 558 H LYS 79 H LYS 79 -13.270 -4.928 6.639 559 HA LYS 79 HA LYS 79 -15.867 -5.185 7.882 560 HB2 LYS 79 1HB LYS 79 -13.120 -6.221 8.549 561 HB3 LYS 79 2HB LYS 79 -14.474 -6.417 9.654 562 HG2 LYS 79 1HG LYS 79 -15.697 -7.516 7.718 563 HG3 LYS 79 2HG LYS 79 -14.131 -7.568 6.904 564 HD2 LYS 79 1HD LYS 79 -14.313 -9.654 7.955 565 HD3 LYS 79 2HD LYS 79 -13.273 -8.713 9.027 566 HE2 LYS 79 1HE LYS 79 -15.519 -8.106 10.206 567 HE3 LYS 79 2HE LYS 79 -16.120 -9.550 9.391 568 HZ1 LYS 79 1HZ LYS 79 -13.748 -10.328 10.498 569 HZ2 LYS 79 2HZ LYS 79 -15.290 -10.673 11.101 570 HZ3 LYS 79 3HZ LYS 79 -14.433 -9.336 11.684 571 H LYS 80 H LYS 80 -16.181 -4.689 10.189 572 HA LYS 80 HA LYS 80 -15.195 -2.019 10.770 573 HB2 LYS 80 1HB LYS 80 -17.406 -3.744 11.802 574 HB3 LYS 80 2HB LYS 80 -16.813 -2.436 12.817 575 HG2 LYS 80 1HG LYS 80 -17.638 -0.813 11.455 576 HG3 LYS 80 2HG LYS 80 -17.480 -1.798 9.999 577 HD2 LYS 80 1HD LYS 80 -19.487 -2.415 12.152 578 HD3 LYS 80 2HD LYS 80 -19.843 -1.320 10.813 579 HE2 LYS 80 1HE LYS 80 -19.614 -3.031 9.217 580 HE3 LYS 80 2HE LYS 80 -18.807 -4.103 10.360 581 HZ1 LYS 80 1HZ LYS 80 -20.807 -4.510 11.484 582 HZ2 LYS 80 2HZ LYS 80 -21.209 -4.605 9.844 583 HZ3 LYS 80 3HZ LYS 80 -21.608 -3.222 10.733 584 H TYR 81 H TYR 81 -13.865 -1.463 12.421 585 HA TYR 81 HA TYR 81 -12.187 -1.715 13.941 586 HB2 TYR 81 1HB TYR 81 -14.343 -2.266 15.253 587 HB3 TYR 81 2HB TYR 81 -13.806 -3.940 15.160 588 HD1 TYR 81 2HD TYR 81 -12.021 -0.717 15.810 589 HD2 TYR 81 1HD TYR 81 -12.986 -4.619 17.205 590 HE1 TYR 81 2HE TYR 81 -10.590 -0.360 17.778 591 HE2 TYR 81 1HE TYR 81 -11.559 -4.273 19.178 592 HH TYR 81 HH TYR 81 -9.271 -2.044 19.425 593 H THR 82 H THR 82 -11.615 -3.018 11.621 594 HA THR 82 HA THR 82 -10.225 -5.434 12.575 595 HB THR 82 HB THR 82 -11.326 -5.058 9.784 596 HG1 THR 82 1HG THR 82 -12.561 -5.828 12.041 597 HG21 THR 82 1HG2 THR 82 -10.397 -7.054 9.226 598 HG22 THR 82 2HG2 THR 82 -10.567 -7.712 10.853 599 HG23 THR 82 3HG2 THR 82 -9.246 -6.603 10.483 600 H GLU 83 H GLU 83 -8.129 -5.736 11.885 601 HA GLU 83 HA GLU 83 -6.733 -3.374 11.038 602 HB2 GLU 83 1HB GLU 83 -5.992 -5.348 12.641 603 HB3 GLU 83 2HB GLU 83 -5.399 -6.041 11.139 604 HG2 GLU 83 1HG GLU 83 -3.896 -4.274 10.788 605 HG3 GLU 83 2HG GLU 83 -4.681 -3.260 11.998 606 H TYR 84 H TYR 84 -5.432 -3.154 9.172 607 HA TYR 84 HA TYR 84 -5.676 -5.103 7.043 608 HB2 TYR 84 1HB TYR 84 -7.044 -2.435 6.978 609 HB3 TYR 84 2HB TYR 84 -6.441 -3.146 5.486 610 HD1 TYR 84 2HD TYR 84 -7.341 -5.351 4.728 611 HD2 TYR 84 1HD TYR 84 -9.034 -3.227 8.003 612 HE1 TYR 84 2HE TYR 84 -9.385 -6.708 4.544 613 HE2 TYR 84 1HE TYR 84 -11.081 -4.578 7.829 614 HH TYR 84 HH TYR 84 -11.966 -6.472 6.916 615 H SER 85 H SER 85 -3.897 -5.127 5.810 616 HA SER 85 HA SER 85 -1.810 -3.195 6.376 617 HB2 SER 85 1HB SER 85 -1.567 -5.786 6.103 618 HB3 SER 85 2HB SER 85 -1.529 -5.418 4.378 619 HG SER 85 HG SER 85 0.465 -4.857 4.643 620 H PHE 86 H PHE 86 -0.564 -2.192 4.636 621 HA PHE 86 HA PHE 86 -1.846 -1.909 2.057 622 HB2 PHE 86 1HB PHE 86 -1.552 0.462 3.913 623 HB3 PHE 86 2HB PHE 86 -2.010 0.556 2.216 624 HD1 PHE 86 2HD PHE 86 -4.172 -0.441 1.476 625 HD2 PHE 86 1HD PHE 86 -3.128 -0.051 5.584 626 HE1 PHE 86 2HE PHE 86 -6.535 -0.723 2.100 627 HE2 PHE 86 1HE PHE 86 -5.490 -0.334 6.214 628 HZ PHE 86 HZ PHE 86 -7.197 -0.669 4.471 629 H ARG 87 H ARG 87 -0.439 -1.321 0.466 630 HA ARG 87 HA ARG 87 2.167 -0.231 1.167 631 HB2 ARG 87 1HB ARG 87 3.376 -1.996 -0.059 632 HB3 ARG 87 2HB ARG 87 2.539 -2.625 1.354 633 HG2 ARG 87 1HG ARG 87 0.906 -3.685 0.061 634 HG3 ARG 87 2HG ARG 87 1.311 -2.745 -1.377 635 HD2 ARG 87 1HD ARG 87 2.357 -4.698 -1.909 636 HD3 ARG 87 2HD ARG 87 3.662 -3.907 -1.025 637 HE ARG 87 HE ARG 87 1.969 -5.516 0.642 638 HH11 ARG 87 2HH1 ARG 87 4.718 -5.534 -1.493 639 HH12 ARG 87 1HH1 ARG 87 5.415 -6.959 -0.795 640 HH21 ARG 87 2HH2 ARG 87 2.876 -7.392 1.569 641 HH22 ARG 87 1HH2 ARG 87 4.366 -8.016 0.946 642 H VAL 88 H VAL 88 2.893 1.141 -0.345 643 HA VAL 88 HA VAL 88 1.365 1.344 -2.839 644 HB VAL 88 HB VAL 88 3.209 3.317 -1.487 645 HG11 VAL 88 1HG1 VAL 88 3.506 4.172 -3.529 646 HG12 VAL 88 2HG1 VAL 88 2.231 3.171 -4.228 647 HG13 VAL 88 3HG1 VAL 88 1.824 4.688 -3.425 648 HG21 VAL 88 1HG2 VAL 88 1.402 4.179 -0.506 649 HG22 VAL 88 2HG2 VAL 88 0.477 4.143 -2.008 650 HG23 VAL 88 3HG2 VAL 88 0.554 2.708 -0.985 651 H VAL 89 H VAL 89 2.219 0.767 -4.725 652 HA VAL 89 HA VAL 89 5.147 0.469 -4.906 653 HB VAL 89 HB VAL 89 3.042 -1.234 -6.247 654 HG11 VAL 89 1HG1 VAL 89 6.052 -1.391 -6.384 655 HG12 VAL 89 2HG1 VAL 89 4.927 -2.552 -7.091 656 HG13 VAL 89 3HG1 VAL 89 4.976 -0.894 -7.690 657 HG21 VAL 89 1HG2 VAL 89 5.110 -2.155 -4.277 658 HG22 VAL 89 2HG2 VAL 89 3.537 -1.555 -3.753 659 HG23 VAL 89 3HG2 VAL 89 3.636 -2.973 -4.797 660 H ALA 90 H ALA 90 6.131 1.542 -6.499 661 HA ALA 90 HA ALA 90 4.520 3.133 -8.314 662 HB1 ALA 90 1HB ALA 90 6.806 4.024 -8.997 663 HB2 ALA 90 2HB ALA 90 6.280 4.346 -7.344 664 HB3 ALA 90 3HB ALA 90 7.451 3.066 -7.664 665 H TYR 91 H TYR 91 4.120 2.639 -10.369 666 HA TYR 91 HA TYR 91 5.661 0.449 -11.596 667 HB2 TYR 91 1HB TYR 91 2.777 1.243 -11.801 668 HB3 TYR 91 2HB TYR 91 3.538 0.355 -13.115 669 HD1 TYR 91 2HD TYR 91 2.906 0.208 -9.450 670 HD2 TYR 91 1HD TYR 91 3.708 -1.972 -13.015 671 HE1 TYR 91 2HE TYR 91 2.516 -1.899 -8.243 672 HE2 TYR 91 1HE TYR 91 3.319 -4.085 -11.819 673 HH TYR 91 HH TYR 91 3.009 -5.033 -9.808 674 H ASN 92 H ASN 92 7.166 1.310 -12.880 675 HA ASN 92 HA ASN 92 6.498 3.669 -14.489 676 HB2 ASN 92 1HB ASN 92 9.085 2.427 -13.600 677 HB3 ASN 92 2HB ASN 92 9.054 3.525 -14.976 678 HD21 ASN 92 1HD2 ASN 92 10.423 4.893 -13.717 679 HD22 ASN 92 2HD2 ASN 92 9.743 5.930 -12.513 680 H LYS 93 H LYS 93 7.391 3.714 -16.732 681 HA LYS 93 HA LYS 93 6.258 1.931 -18.410 682 HB2 LYS 93 1HB LYS 93 7.714 2.694 -20.144 683 HB3 LYS 93 2HB LYS 93 7.448 4.048 -19.054 684 HG2 LYS 93 1HG LYS 93 9.820 2.333 -18.574 685 HG3 LYS 93 2HG LYS 93 9.849 3.424 -19.961 686 HD2 LYS 93 1HD LYS 93 9.121 4.344 -17.190 687 HD3 LYS 93 2HD LYS 93 10.785 4.328 -17.778 688 HE2 LYS 93 1HE LYS 93 10.330 5.925 -19.436 689 HE3 LYS 93 2HE LYS 93 8.587 5.694 -19.301 690 HZ1 LYS 93 1HZ LYS 93 8.458 7.011 -17.476 691 HZ2 LYS 93 2HZ LYS 93 9.806 7.733 -18.198 692 HZ3 LYS 93 3HZ LYS 93 10.015 6.633 -16.930 693 H HIS 94 H HIS 94 9.226 1.477 -16.639 694 HA HIS 94 HA HIS 94 10.079 -0.837 -18.098 695 HB2 HIS 94 1HB HIS 94 10.927 -0.089 -15.302 696 HB3 HIS 94 2HB HIS 94 11.828 -1.016 -16.497 697 HD1 HIS 94 1HD HIS 94 12.654 0.416 -18.639 698 HD2 HIS 94 2HD HIS 94 11.454 2.583 -15.304 699 HE1 HIS 94 1HE HIS 94 13.600 2.723 -18.961 700 HE2 HIS 94 2HE HIS 94 12.933 3.992 -16.890 701 H GLY 95 H GLY 95 8.638 -0.346 -14.873 702 HA2 GLY 95 1HA GLY 95 6.781 -2.322 -14.869 703 HA3 GLY 95 2HA GLY 95 8.267 -3.184 -14.496 704 HA PRO 96 HA PRO 96 6.393 -1.698 -10.520 705 HB2 PRO 96 1HB PRO 96 6.666 -4.071 -9.229 706 HB3 PRO 96 2HB PRO 96 5.259 -3.674 -10.223 707 HG2 PRO 96 1HG PRO 96 7.667 -5.312 -10.917 708 HG3 PRO 96 2HG PRO 96 5.958 -5.628 -11.272 709 HD2 PRO 96 1HD PRO 96 7.664 -4.608 -13.111 710 HD3 PRO 96 2HD PRO 96 5.938 -4.194 -13.076 711 H GLY 97 H GLY 97 7.743 -0.608 -9.242 712 HA2 GLY 97 1HA GLY 97 10.525 -1.487 -9.017 713 HA3 GLY 97 2HA GLY 97 9.896 0.090 -8.565 714 H VAL 98 H VAL 98 11.191 -0.265 -6.614 715 HA VAL 98 HA VAL 98 11.016 -2.222 -4.754 716 HB VAL 98 HB VAL 98 11.340 -0.508 -2.995 717 HG11 VAL 98 1HG1 VAL 98 13.489 -0.356 -3.583 718 HG12 VAL 98 2HG1 VAL 98 13.023 -1.185 -5.070 719 HG13 VAL 98 3HG1 VAL 98 13.113 0.576 -5.031 720 HG21 VAL 98 1HG2 VAL 98 9.919 1.127 -4.747 721 HG22 VAL 98 2HG2 VAL 98 10.689 1.608 -3.234 722 HG23 VAL 98 3HG2 VAL 98 11.563 1.768 -4.758 723 H SER 99 H SER 99 9.827 -2.267 -2.650 724 HA SER 99 HA SER 99 7.011 -1.477 -3.007 725 HB2 SER 99 1HB SER 99 7.152 -3.868 -3.327 726 HB3 SER 99 2HB SER 99 8.104 -4.052 -1.854 727 HG SER 99 HG SER 99 5.832 -2.770 -1.276 728 H THR 100 H THR 100 6.370 -0.087 -1.515 729 HA THR 100 HA THR 100 7.875 0.730 0.679 730 HB THR 100 HB THR 100 5.573 1.600 1.536 731 HG1 THR 100 1HG THR 100 4.413 0.104 0.104 732 HG21 THR 100 1HG2 THR 100 5.909 3.527 0.338 733 HG22 THR 100 2HG2 THR 100 6.205 2.665 -1.173 734 HG23 THR 100 3HG2 THR 100 7.458 2.729 0.066 735 HA PRO 101 HA PRO 101 7.162 -2.174 3.892 736 HB2 PRO 101 1HB PRO 101 7.036 -0.564 6.075 737 HB3 PRO 101 2HB PRO 101 8.541 -0.892 5.209 738 HG2 PRO 101 1HG PRO 101 6.729 1.483 5.023 739 HG3 PRO 101 2HG PRO 101 8.500 1.430 5.085 740 HD2 PRO 101 1HD PRO 101 7.132 1.768 2.773 741 HD3 PRO 101 2HD PRO 101 8.688 0.916 2.846 742 H ASP 102 H ASP 102 5.411 -3.264 4.518 743 HA ASP 102 HA ASP 102 2.823 -2.639 4.086 744 HB2 ASP 102 1HB ASP 102 3.881 -4.217 6.441 745 HB3 ASP 102 2HB ASP 102 2.214 -4.249 5.872 746 H VAL 103 H VAL 103 1.111 -1.692 5.183 747 HA VAL 103 HA VAL 103 1.796 -0.121 7.576 748 HB VAL 103 HB VAL 103 0.269 0.850 5.159 749 HG11 VAL 103 1HG1 VAL 103 0.087 1.638 7.946 750 HG12 VAL 103 2HG1 VAL 103 0.552 2.980 6.899 751 HG13 VAL 103 3HG1 VAL 103 -0.932 2.082 6.578 752 HG21 VAL 103 1HG2 VAL 103 2.943 0.887 5.585 753 HG22 VAL 103 2HG2 VAL 103 2.076 2.082 4.621 754 HG23 VAL 103 3HG2 VAL 103 2.471 2.426 6.305 755 H ALA 104 H ALA 104 0.750 -1.910 8.688 756 HA ALA 104 HA ALA 104 -2.005 -2.505 8.252 757 HB1 ALA 104 1HB ALA 104 -1.796 -3.646 10.500 758 HB2 ALA 104 2HB ALA 104 -0.703 -4.211 9.236 759 HB3 ALA 104 3HB ALA 104 -0.108 -3.133 10.498 760 H VAL 105 H VAL 105 -3.807 -1.733 9.243 761 HA VAL 105 HA VAL 105 -3.580 0.102 11.486 762 HB VAL 105 HB VAL 105 -3.341 1.517 9.436 763 HG11 VAL 105 1HG1 VAL 105 -5.645 1.918 8.291 764 HG12 VAL 105 2HG1 VAL 105 -4.634 0.567 7.775 765 HG13 VAL 105 3HG1 VAL 105 -6.000 0.285 8.855 766 HG21 VAL 105 1HG2 VAL 105 -4.377 2.232 11.663 767 HG22 VAL 105 2HG2 VAL 105 -4.691 3.248 10.256 768 HG23 VAL 105 3HG2 VAL 105 -5.928 2.130 10.830 769 H ARG 106 H ARG 106 -5.487 0.340 12.658 770 HA ARG 106 HA ARG 106 -7.510 -1.687 12.077 771 HB2 ARG 106 1HB ARG 106 -6.322 -1.380 14.356 772 HB3 ARG 106 2HB ARG 106 -7.404 -0.010 14.568 773 HG2 ARG 106 1HG ARG 106 -9.282 -1.691 14.040 774 HG3 ARG 106 2HG ARG 106 -8.064 -2.920 14.388 775 HD2 ARG 106 1HD ARG 106 -8.846 -0.686 16.256 776 HD3 ARG 106 2HD ARG 106 -9.460 -2.336 16.349 777 HE ARG 106 HE ARG 106 -6.868 -1.396 17.182 778 HH11 ARG 106 2HH1 ARG 106 -8.758 -4.154 16.210 779 HH12 ARG 106 1HH1 ARG 106 -7.728 -5.301 16.999 780 HH21 ARG 106 2HH2 ARG 106 -5.505 -2.897 18.225 781 HH22 ARG 106 1HH2 ARG 106 -5.878 -4.585 18.146 782 H THR 107 H THR 107 -9.512 -1.214 11.422 783 HA THR 107 HA THR 107 -10.185 1.455 10.680 784 HB THR 107 HB THR 107 -12.470 0.395 10.186 785 HG1 THR 107 1HG THR 107 -12.614 -1.792 10.353 786 HG21 THR 107 1HG2 THR 107 -10.800 -1.248 8.555 787 HG22 THR 107 2HG2 THR 107 -9.990 0.296 8.822 788 HG23 THR 107 3HG2 THR 107 -11.614 0.258 8.135 789 H LEU 108 H LEU 108 -12.561 2.181 11.236 790 HA LEU 108 HA LEU 108 -12.590 2.588 14.099 791 HB2 LEU 108 1HB LEU 108 -14.529 3.596 12.025 792 HB3 LEU 108 2HB LEU 108 -14.342 4.188 13.674 793 HG LEU 108 HG LEU 108 -12.162 4.389 11.607 794 HD11 LEU 108 1HD1 LEU 108 -14.584 5.671 11.420 795 HD12 LEU 108 2HD1 LEU 108 -13.067 6.215 10.703 796 HD13 LEU 108 3HD1 LEU 108 -13.577 6.844 12.270 797 HD21 LEU 108 1HD2 LEU 108 -10.962 5.417 13.185 798 HD22 LEU 108 2HD2 LEU 108 -12.103 4.714 14.332 799 HD23 LEU 108 3HD2 LEU 108 -12.342 6.361 13.746 800 H SER 109 H SER 109 -14.491 2.263 15.414 801 HA SER 109 HA SER 109 -15.997 -0.120 14.575 802 HB2 SER 109 1HB SER 109 -14.932 -0.743 16.538 803 HB3 SER 109 2HB SER 109 -15.035 0.875 17.230 804 HG SER 109 HG SER 109 -17.434 -0.442 16.736 805 H ASP 110 H ASP 110 -18.215 -0.202 14.758 806 HA ASP 110 HA ASP 110 -19.534 2.404 14.995 807 HB2 ASP 110 1HB ASP 110 -19.930 1.151 12.922 808 HB3 ASP 110 2HB ASP 110 -20.555 -0.206 13.855 809 H SER 111 H SER 111 -19.856 -0.950 16.118 810 HA SER 111 HA SER 111 -21.479 0.056 18.364 811 HB2 SER 111 1HB SER 111 -21.699 -2.508 16.795 812 HB3 SER 111 2HB SER 111 -22.388 -2.352 18.410 813 HG SER 111 HG SER 111 -23.068 -0.959 16.053 814 H GLY 112 H GLY 112 -19.427 -2.722 17.450 815 HA2 GLY 112 1HA GLY 112 -17.795 -3.837 18.616 816 HA3 GLY 112 2HA GLY 112 -17.588 -2.364 19.551 817 HA PRO 113 HA PRO 113 -19.376 -5.846 22.178 818 HB2 PRO 113 1HB PRO 113 -17.283 -6.053 23.894 819 HB3 PRO 113 2HB PRO 113 -17.395 -6.988 22.398 820 HG2 PRO 113 1HG PRO 113 -15.859 -4.479 22.954 821 HG3 PRO 113 2HG PRO 113 -15.354 -5.926 22.061 822 HD2 PRO 113 1HD PRO 113 -16.182 -3.664 20.823 823 HD3 PRO 113 2HD PRO 113 -16.459 -5.281 20.143 824 H SER 114 H SER 114 -18.587 -2.647 22.348 825 HA SER 114 HA SER 114 -18.444 -1.835 24.928 826 HB2 SER 114 1HB SER 114 -19.253 0.232 24.244 827 HB3 SER 114 2HB SER 114 -18.761 -0.474 22.705 828 HG SER 114 HG SER 114 -21.111 0.449 23.287 829 H SER 115 H SER 115 -20.083 -1.035 26.443 830 HA SER 115 HA SER 115 -22.377 -2.872 26.544 831 HB2 SER 115 1HB SER 115 -22.386 -2.405 28.987 832 HB3 SER 115 2HB SER 115 -20.865 -3.107 28.436 833 HG SER 115 HG SER 115 -19.863 -1.337 28.977 834 H GLY 116 H GLY 116 -21.430 0.507 27.013 835 HA2 GLY 116 1HA GLY 116 -23.815 1.543 25.952 836 HA3 GLY 116 2HA GLY 116 -23.958 1.517 27.703 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -3.518 -17.935 -11.172 2 HA2 GLY 1 1HA GLY 1 -3.081 -20.023 -12.646 3 HA3 GLY 1 2HA GLY 1 -3.225 -18.853 -13.949 4 H SER 2 H SER 2 -1.208 -20.145 -11.479 5 HA SER 2 HA SER 2 1.123 -18.982 -12.661 6 HB2 SER 2 1HB SER 2 1.897 -17.803 -10.609 7 HB3 SER 2 2HB SER 2 0.464 -17.062 -11.323 8 HG SER 2 HG SER 2 -0.702 -18.485 -9.745 9 H SER 3 H SER 3 2.310 -20.771 -12.748 10 HA SER 3 HA SER 3 2.127 -23.064 -11.303 11 HB2 SER 3 1HB SER 3 4.501 -23.496 -11.881 12 HB3 SER 3 2HB SER 3 3.583 -22.869 -13.250 13 HG SER 3 HG SER 3 4.438 -20.734 -12.420 14 H GLY 4 H GLY 4 3.833 -20.124 -10.379 15 HA2 GLY 4 1HA GLY 4 4.996 -19.584 -8.453 16 HA3 GLY 4 2HA GLY 4 3.571 -20.273 -7.692 17 H SER 5 H SER 5 4.399 -21.343 -5.990 18 HA SER 5 HA SER 5 5.778 -22.714 -4.765 19 HB2 SER 5 1HB SER 5 5.247 -24.489 -7.160 20 HB3 SER 5 2HB SER 5 5.732 -25.035 -5.555 21 HG SER 5 HG SER 5 3.304 -24.723 -6.390 22 H SER 6 H SER 6 7.357 -20.915 -6.064 23 HA SER 6 HA SER 6 9.549 -22.478 -7.237 24 HB2 SER 6 1HB SER 6 10.413 -20.351 -8.072 25 HB3 SER 6 2HB SER 6 8.725 -20.543 -8.546 26 HG SER 6 HG SER 6 9.233 -19.242 -6.137 27 H GLY 7 H GLY 7 11.627 -22.403 -6.409 28 HA2 GLY 7 1HA GLY 7 12.032 -20.912 -3.909 29 HA3 GLY 7 2HA GLY 7 12.293 -22.650 -3.910 30 H ARG 8 H ARG 8 13.104 -20.289 -6.424 31 HA ARG 8 HA ARG 8 15.951 -20.858 -5.938 32 HB2 ARG 8 1HB ARG 8 14.374 -21.092 -8.453 33 HB3 ARG 8 2HB ARG 8 16.019 -20.482 -8.575 34 HG2 ARG 8 1HG ARG 8 15.334 -23.056 -7.185 35 HG3 ARG 8 2HG ARG 8 15.724 -22.960 -8.903 36 HD2 ARG 8 1HD ARG 8 17.533 -21.896 -6.747 37 HD3 ARG 8 2HD ARG 8 17.635 -23.548 -7.354 38 HE ARG 8 HE ARG 8 18.562 -21.172 -8.655 39 HH11 ARG 8 2HH1 ARG 8 17.367 -24.402 -9.168 40 HH12 ARG 8 1HH1 ARG 8 18.136 -24.581 -10.710 41 HH21 ARG 8 2HH2 ARG 8 19.578 -21.396 -10.684 42 HH22 ARG 8 1HH2 ARG 8 19.394 -22.871 -11.572 43 H VAL 9 H VAL 9 17.414 -19.192 -6.494 44 HA VAL 9 HA VAL 9 16.295 -16.544 -6.200 45 HB VAL 9 HB VAL 9 18.639 -15.786 -6.116 46 HG11 VAL 9 1HG1 VAL 9 18.113 -18.187 -4.368 47 HG12 VAL 9 2HG1 VAL 9 19.232 -16.867 -4.024 48 HG13 VAL 9 3HG1 VAL 9 17.495 -16.561 -4.082 49 HG21 VAL 9 1HG2 VAL 9 20.086 -18.152 -5.869 50 HG22 VAL 9 2HG2 VAL 9 19.096 -18.375 -7.312 51 HG23 VAL 9 3HG2 VAL 9 20.176 -16.987 -7.190 52 H GLU 10 H GLU 10 15.628 -15.395 -7.881 53 HA GLU 10 HA GLU 10 17.252 -15.329 -10.305 54 HB2 GLU 10 1HB GLU 10 15.637 -17.005 -10.875 55 HB3 GLU 10 2HB GLU 10 14.318 -16.032 -10.239 56 HG2 GLU 10 1HG GLU 10 16.006 -15.192 -12.577 57 HG3 GLU 10 2HG GLU 10 14.511 -16.111 -12.737 58 H THR 11 H THR 11 17.744 -13.252 -10.502 59 HA THR 11 HA THR 11 15.648 -11.276 -10.682 60 HB THR 11 HB THR 11 16.126 -11.361 -8.235 61 HG1 THR 11 1HG THR 11 15.400 -9.399 -8.784 62 HG21 THR 11 1HG2 THR 11 18.729 -9.999 -8.688 63 HG22 THR 11 2HG2 THR 11 18.685 -11.756 -8.833 64 HG23 THR 11 3HG2 THR 11 18.189 -10.982 -7.328 65 H GLN 12 H GLN 12 16.212 -9.581 -11.966 66 HA GLN 12 HA GLN 12 18.621 -9.814 -13.485 67 HB2 GLN 12 1HB GLN 12 17.806 -7.889 -14.721 68 HB3 GLN 12 2HB GLN 12 16.499 -9.039 -14.475 69 HG2 GLN 12 1HG GLN 12 15.820 -7.626 -12.486 70 HG3 GLN 12 2HG GLN 12 16.946 -6.414 -13.093 71 HE21 GLN 12 1HE2 GLN 12 15.921 -4.868 -14.120 72 HE22 GLN 12 2HE2 GLN 12 14.564 -5.061 -15.171 73 HA PRO 13 HA PRO 13 21.258 -7.312 -10.986 74 HB2 PRO 13 1HB PRO 13 23.153 -6.769 -12.852 75 HB3 PRO 13 2HB PRO 13 22.999 -8.347 -12.070 76 HG2 PRO 13 1HG PRO 13 22.023 -7.462 -14.758 77 HG3 PRO 13 2HG PRO 13 22.817 -8.980 -14.300 78 HD2 PRO 13 1HD PRO 13 20.138 -8.783 -14.644 79 HD3 PRO 13 2HD PRO 13 20.871 -9.893 -13.468 80 H GLU 14 H GLU 14 19.224 -6.178 -13.294 81 HA GLU 14 HA GLU 14 20.350 -3.503 -13.504 82 HB2 GLU 14 1HB GLU 14 19.260 -4.557 -15.462 83 HB3 GLU 14 2HB GLU 14 17.743 -4.597 -14.575 84 HG2 GLU 14 1HG GLU 14 17.496 -2.283 -14.647 85 HG3 GLU 14 2HG GLU 14 19.196 -2.022 -15.036 86 H VAL 15 H VAL 15 19.889 -1.914 -12.142 87 HA VAL 15 HA VAL 15 17.482 -2.165 -10.456 88 HB VAL 15 HB VAL 15 19.956 -0.627 -9.692 89 HG11 VAL 15 1HG1 VAL 15 18.026 0.050 -8.468 90 HG12 VAL 15 2HG1 VAL 15 17.552 -1.624 -8.175 91 HG13 VAL 15 3HG1 VAL 15 18.996 -0.967 -7.403 92 HG21 VAL 15 1HG2 VAL 15 20.839 -2.461 -8.564 93 HG22 VAL 15 2HG2 VAL 15 19.321 -3.357 -8.631 94 HG23 VAL 15 3HG2 VAL 15 20.289 -3.154 -10.090 95 H GLN 16 H GLN 16 17.040 -1.028 -12.833 96 HA GLN 16 HA GLN 16 17.259 1.872 -12.487 97 HB2 GLN 16 1HB GLN 16 16.394 0.230 -14.872 98 HB3 GLN 16 2HB GLN 16 16.489 1.985 -14.841 99 HG2 GLN 16 1HG GLN 16 18.967 1.516 -14.115 100 HG3 GLN 16 2HG GLN 16 18.668 -0.034 -14.900 101 HE21 GLN 16 1HE2 GLN 16 17.747 0.110 -17.122 102 HE22 GLN 16 2HE2 GLN 16 18.350 1.357 -18.155 103 H LEU 17 H LEU 17 15.526 0.646 -10.721 104 HA LEU 17 HA LEU 17 12.858 1.255 -11.799 105 HB2 LEU 17 1HB LEU 17 13.861 -0.609 -9.719 106 HB3 LEU 17 2HB LEU 17 12.266 0.101 -9.479 107 HG LEU 17 HG LEU 17 12.165 -2.127 -10.510 108 HD11 LEU 17 1HD1 LEU 17 10.357 -0.622 -10.955 109 HD12 LEU 17 2HD1 LEU 17 10.736 -1.490 -12.443 110 HD13 LEU 17 3HD1 LEU 17 11.272 0.177 -12.234 111 HD21 LEU 17 1HD2 LEU 17 14.136 -2.313 -11.763 112 HD22 LEU 17 2HD2 LEU 17 13.844 -0.796 -12.614 113 HD23 LEU 17 3HD2 LEU 17 12.853 -2.211 -12.969 114 HA PRO 18 HA PRO 18 12.403 4.795 -9.247 115 HB2 PRO 18 1HB PRO 18 9.781 4.652 -8.557 116 HB3 PRO 18 2HB PRO 18 10.324 5.073 -10.186 117 HG2 PRO 18 1HG PRO 18 9.353 2.445 -9.133 118 HG3 PRO 18 2HG PRO 18 8.972 3.244 -10.669 119 HD2 PRO 18 1HD PRO 18 10.782 1.239 -10.481 120 HD3 PRO 18 2HD PRO 18 10.937 2.558 -11.659 121 H GLY 19 H GLY 19 12.158 5.534 -7.092 122 HA2 GLY 19 1HA GLY 19 12.658 3.477 -5.115 123 HA3 GLY 19 2HA GLY 19 12.735 5.214 -4.860 124 HA PRO 20 HA PRO 20 8.815 3.314 -3.018 125 HB2 PRO 20 1HB PRO 20 9.429 3.733 -0.407 126 HB3 PRO 20 2HB PRO 20 9.856 2.249 -1.268 127 HG2 PRO 20 1HG PRO 20 11.553 4.637 -0.654 128 HG3 PRO 20 2HG PRO 20 11.962 2.915 -0.541 129 HD2 PRO 20 1HD PRO 20 12.730 4.461 -2.628 130 HD3 PRO 20 2HD PRO 20 12.362 2.733 -2.804 131 H ALA 21 H ALA 21 7.088 4.563 -2.458 132 HA ALA 21 HA ALA 21 7.331 7.390 -2.692 133 HB1 ALA 21 1HB ALA 21 4.894 7.392 -2.194 134 HB2 ALA 21 2HB ALA 21 5.352 6.314 -3.514 135 HB3 ALA 21 3HB ALA 21 4.993 5.653 -1.919 136 HA PRO 22 HA PRO 22 8.317 8.050 1.621 137 HB2 PRO 22 1HB PRO 22 8.599 10.742 1.405 138 HB3 PRO 22 2HB PRO 22 9.844 9.601 0.885 139 HG2 PRO 22 1HG PRO 22 7.792 11.040 -0.752 140 HG3 PRO 22 2HG PRO 22 9.509 10.767 -1.099 141 HD2 PRO 22 1HD PRO 22 7.542 9.276 -2.213 142 HD3 PRO 22 2HD PRO 22 9.147 8.614 -1.838 143 H ASN 23 H ASN 23 7.549 9.949 3.180 144 HA ASN 23 HA ASN 23 5.742 10.463 4.509 145 HB2 ASN 23 1HB ASN 23 4.828 11.710 1.907 146 HB3 ASN 23 2HB ASN 23 4.351 12.202 3.530 147 HD21 ASN 23 1HD2 ASN 23 6.557 12.380 4.936 148 HD22 ASN 23 2HD2 ASN 23 7.682 13.493 4.242 149 H LEU 24 H LEU 24 5.403 7.894 3.855 150 HA LEU 24 HA LEU 24 2.807 7.486 2.632 151 HB2 LEU 24 1HB LEU 24 4.625 5.900 2.234 152 HB3 LEU 24 2HB LEU 24 4.692 5.541 3.958 153 HG LEU 24 HG LEU 24 2.412 4.601 3.819 154 HD11 LEU 24 1HD1 LEU 24 2.729 5.354 0.935 155 HD12 LEU 24 2HD1 LEU 24 1.388 5.689 2.029 156 HD13 LEU 24 3HD1 LEU 24 1.653 4.050 1.435 157 HD21 LEU 24 1HD2 LEU 24 3.039 2.546 2.760 158 HD22 LEU 24 2HD2 LEU 24 4.460 3.209 3.569 159 HD23 LEU 24 3HD2 LEU 24 4.292 3.356 1.819 160 H ARG 25 H ARG 25 1.178 8.221 3.886 161 HA ARG 25 HA ARG 25 1.104 7.343 6.694 162 HB2 ARG 25 1HB ARG 25 -0.625 9.508 5.522 163 HB3 ARG 25 2HB ARG 25 -0.227 9.218 7.210 164 HG2 ARG 25 1HG ARG 25 1.930 9.924 5.270 165 HG3 ARG 25 2HG ARG 25 0.887 11.181 5.940 166 HD2 ARG 25 1HD ARG 25 2.556 9.227 7.521 167 HD3 ARG 25 2HD ARG 25 2.932 10.929 7.252 168 HE ARG 25 HE ARG 25 0.373 10.633 8.436 169 HH11 ARG 25 2HH1 ARG 25 3.777 10.495 9.151 170 HH12 ARG 25 1HH1 ARG 25 3.577 10.921 10.819 171 HH21 ARG 25 2HH2 ARG 25 0.096 11.195 10.630 172 HH22 ARG 25 1HH2 ARG 25 1.483 11.318 11.659 173 H ALA 26 H ALA 26 -1.086 6.862 7.556 174 HA ALA 26 HA ALA 26 -3.138 6.094 5.687 175 HB1 ALA 26 1HB ALA 26 -1.977 4.127 5.325 176 HB2 ALA 26 2HB ALA 26 -1.391 4.045 6.987 177 HB3 ALA 26 3HB ALA 26 -3.079 3.679 6.628 178 H TYR 27 H TYR 27 -5.068 6.299 6.630 179 HA TYR 27 HA TYR 27 -5.398 5.774 9.469 180 HB2 TYR 27 1HB TYR 27 -6.504 8.004 9.819 181 HB3 TYR 27 2HB TYR 27 -4.763 8.082 9.574 182 HD1 TYR 27 2HD TYR 27 -3.858 8.881 7.401 183 HD2 TYR 27 1HD TYR 27 -8.015 9.040 8.294 184 HE1 TYR 27 2HE TYR 27 -4.184 10.489 5.569 185 HE2 TYR 27 1HE TYR 27 -8.353 10.648 6.464 186 HH TYR 27 HH TYR 27 -6.417 11.107 4.039 187 H ALA 28 H ALA 28 -7.470 5.221 10.029 188 HA ALA 28 HA ALA 28 -9.249 4.598 7.834 189 HB1 ALA 28 1HB ALA 28 -10.443 4.025 10.353 190 HB2 ALA 28 2HB ALA 28 -9.811 2.903 9.148 191 HB3 ALA 28 3HB ALA 28 -8.750 3.533 10.407 192 H ALA 29 H ALA 29 -10.579 6.105 7.078 193 HA ALA 29 HA ALA 29 -11.428 8.336 8.692 194 HB1 ALA 29 1HB ALA 29 -10.978 8.883 6.455 195 HB2 ALA 29 2HB ALA 29 -11.930 7.529 5.844 196 HB3 ALA 29 3HB ALA 29 -12.737 8.912 6.584 197 H SER 30 H SER 30 -12.733 5.279 7.685 198 HA SER 30 HA SER 30 -15.119 5.800 9.295 199 HB2 SER 30 1HB SER 30 -15.095 4.975 6.402 200 HB3 SER 30 2HB SER 30 -16.435 4.527 7.458 201 HG SER 30 HG SER 30 -15.546 7.197 7.302 202 HA PRO 31 HA PRO 31 -14.504 1.737 10.831 203 HB2 PRO 31 1HB PRO 31 -17.054 0.922 11.281 204 HB3 PRO 31 2HB PRO 31 -16.244 2.137 12.277 205 HG2 PRO 31 1HG PRO 31 -18.192 2.516 10.035 206 HG3 PRO 31 2HG PRO 31 -18.112 3.346 11.600 207 HD2 PRO 31 1HD PRO 31 -17.173 4.454 9.315 208 HD3 PRO 31 2HD PRO 31 -16.442 4.772 10.901 209 H THR 32 H THR 32 -15.824 2.280 7.825 210 HA THR 32 HA THR 32 -15.787 -0.598 7.205 211 HB THR 32 HB THR 32 -17.573 -0.310 5.586 212 HG1 THR 32 1HG THR 32 -18.701 1.791 5.642 213 HG21 THR 32 1HG2 THR 32 -18.869 -0.850 7.323 214 HG22 THR 32 2HG2 THR 32 -19.210 0.870 7.508 215 HG23 THR 32 3HG2 THR 32 -17.902 0.126 8.427 216 H SER 33 H SER 33 -14.452 2.394 6.657 217 HA SER 33 HA SER 33 -13.192 1.445 4.187 218 HB2 SER 33 1HB SER 33 -14.321 4.229 4.567 219 HB3 SER 33 2HB SER 33 -13.366 3.695 3.184 220 HG SER 33 HG SER 33 -15.312 3.285 2.438 221 H ILE 34 H ILE 34 -11.289 2.959 3.620 222 HA ILE 34 HA ILE 34 -10.026 4.140 5.965 223 HB ILE 34 HB ILE 34 -8.768 1.877 4.412 224 HG12 ILE 34 1HG1 ILE 34 -9.353 2.099 7.369 225 HG13 ILE 34 2HG1 ILE 34 -10.416 1.290 6.222 226 HG21 ILE 34 1HG2 ILE 34 -7.105 2.488 6.526 227 HG22 ILE 34 2HG2 ILE 34 -6.831 2.896 4.833 228 HG23 ILE 34 3HG2 ILE 34 -7.590 4.068 5.911 229 HD11 ILE 34 1HD1 ILE 34 -8.908 -0.435 5.858 230 HD12 ILE 34 2HD1 ILE 34 -7.547 0.493 6.489 231 HD13 ILE 34 3HD1 ILE 34 -8.778 -0.125 7.589 232 H THR 35 H THR 35 -8.543 5.720 5.489 233 HA THR 35 HA THR 35 -8.260 6.383 2.633 234 HB THR 35 HB THR 35 -8.217 8.211 5.041 235 HG1 THR 35 1HG THR 35 -10.048 9.067 3.575 236 HG21 THR 35 1HG2 THR 35 -8.182 10.007 3.233 237 HG22 THR 35 2HG2 THR 35 -7.668 8.733 2.128 238 HG23 THR 35 3HG2 THR 35 -6.671 9.146 3.522 239 H VAL 36 H VAL 36 -6.292 6.323 1.770 240 HA VAL 36 HA VAL 36 -3.966 6.394 3.581 241 HB VAL 36 HB VAL 36 -4.153 4.890 0.968 242 HG11 VAL 36 1HG1 VAL 36 -1.899 5.661 1.532 243 HG12 VAL 36 2HG1 VAL 36 -2.027 4.880 3.109 244 HG13 VAL 36 3HG1 VAL 36 -2.027 3.906 1.638 245 HG21 VAL 36 1HG2 VAL 36 -3.787 3.314 3.383 246 HG22 VAL 36 2HG2 VAL 36 -5.323 4.181 3.364 247 HG23 VAL 36 3HG2 VAL 36 -4.912 3.086 2.044 248 H THR 37 H THR 37 -2.371 7.799 3.128 249 HA THR 37 HA THR 37 -2.424 9.178 0.528 250 HB THR 37 HB THR 37 -1.926 11.305 1.595 251 HG1 THR 37 1HG THR 37 -0.858 10.623 3.458 252 HG21 THR 37 1HG2 THR 37 -4.078 11.809 2.189 253 HG22 THR 37 2HG2 THR 37 -4.253 10.372 3.196 254 HG23 THR 37 3HG2 THR 37 -4.350 10.236 1.440 255 H TRP 38 H TRP 38 -0.468 9.616 -0.382 256 HA TRP 38 HA TRP 38 1.957 9.172 1.191 257 HB2 TRP 38 1HB TRP 38 2.911 7.748 -0.613 258 HB3 TRP 38 2HB TRP 38 1.537 7.004 0.201 259 HD1 TRP 38 HD TRP 38 2.422 8.758 -3.120 260 HE1 TRP 38 1HE TRP 38 0.750 7.975 -4.913 261 HE3 TRP 38 3HE TRP 38 -0.700 5.992 -0.164 262 HZ2 TRP 38 2HZ TRP 38 -1.585 6.394 -5.055 263 HZ3 TRP 38 3HZ TRP 38 -2.629 4.876 -1.206 264 HH2 TRP 38 HH TRP 38 -3.061 5.075 -3.601 265 H GLU 39 H GLU 39 3.926 9.546 -0.447 266 HA GLU 39 HA GLU 39 3.294 11.947 -2.032 267 HB2 GLU 39 1HB GLU 39 5.454 11.513 0.004 268 HB3 GLU 39 2HB GLU 39 5.694 12.658 -1.308 269 HG2 GLU 39 1HG GLU 39 3.257 12.806 0.416 270 HG3 GLU 39 2HG GLU 39 4.786 13.503 0.948 271 H THR 40 H THR 40 5.040 12.492 -3.617 272 HA THR 40 HA THR 40 5.767 10.088 -5.063 273 HB THR 40 HB THR 40 6.019 13.016 -5.761 274 HG1 THR 40 1HG THR 40 4.324 10.902 -6.640 275 HG21 THR 40 1HG2 THR 40 7.846 11.603 -6.749 276 HG22 THR 40 2HG2 THR 40 6.796 12.382 -7.932 277 HG23 THR 40 3HG2 THR 40 6.594 10.669 -7.567 278 HA PRO 41 HA PRO 41 9.915 9.963 -3.534 279 HB2 PRO 41 1HB PRO 41 10.924 8.256 -5.388 280 HB3 PRO 41 2HB PRO 41 9.872 7.729 -4.069 281 HG2 PRO 41 1HG PRO 41 9.188 8.292 -6.929 282 HG3 PRO 41 2HG PRO 41 8.654 6.956 -5.893 283 HD2 PRO 41 1HD PRO 41 7.104 9.118 -6.395 284 HD3 PRO 41 2HD PRO 41 7.043 8.237 -4.855 285 H VAL 42 H VAL 42 11.256 11.631 -3.796 286 HA VAL 42 HA VAL 42 11.527 13.159 -6.129 287 HB VAL 42 HB VAL 42 13.384 14.259 -5.062 288 HG11 VAL 42 1HG1 VAL 42 11.158 14.761 -4.196 289 HG12 VAL 42 2HG1 VAL 42 11.318 13.463 -3.012 290 HG13 VAL 42 3HG1 VAL 42 12.373 14.874 -2.924 291 HG21 VAL 42 1HG2 VAL 42 14.701 12.428 -4.305 292 HG22 VAL 42 2HG2 VAL 42 14.265 13.373 -2.881 293 HG23 VAL 42 3HG2 VAL 42 13.418 11.866 -3.232 294 H SER 43 H SER 43 13.576 10.582 -4.803 295 HA SER 43 HA SER 43 15.265 10.666 -7.182 296 HB2 SER 43 1HB SER 43 15.482 9.097 -4.604 297 HB3 SER 43 2HB SER 43 16.619 8.952 -5.944 298 HG SER 43 HG SER 43 17.157 11.121 -5.668 299 H GLY 44 H GLY 44 15.147 9.237 -8.803 300 HA2 GLY 44 1HA GLY 44 14.216 6.568 -8.514 301 HA3 GLY 44 2HA GLY 44 12.954 7.584 -9.196 302 H ASN 45 H ASN 45 13.101 6.210 -11.079 303 HA ASN 45 HA ASN 45 15.307 7.031 -12.846 304 HB2 ASN 45 1HB ASN 45 15.337 4.580 -11.959 305 HB3 ASN 45 2HB ASN 45 14.027 4.328 -13.108 306 HD21 ASN 45 1HD2 ASN 45 14.447 4.398 -15.296 307 HD22 ASN 45 2HD2 ASN 45 16.051 4.371 -15.937 308 H GLY 46 H GLY 46 14.216 8.538 -14.021 309 HA2 GLY 46 1HA GLY 46 12.977 9.139 -15.899 310 HA3 GLY 46 2HA GLY 46 12.253 7.537 -15.901 311 H GLU 47 H GLU 47 10.231 8.603 -16.335 312 HA GLU 47 HA GLU 47 9.104 10.088 -14.070 313 HB2 GLU 47 1HB GLU 47 7.455 10.928 -15.552 314 HB3 GLU 47 2HB GLU 47 8.980 11.017 -16.421 315 HG2 GLU 47 1HG GLU 47 8.329 8.766 -17.435 316 HG3 GLU 47 2HG GLU 47 6.713 9.100 -16.815 317 H ILE 48 H ILE 48 7.176 9.470 -13.086 318 HA ILE 48 HA ILE 48 6.686 6.627 -13.086 319 HB ILE 48 HB ILE 48 5.220 8.773 -11.550 320 HG12 ILE 48 1HG1 ILE 48 7.669 8.787 -11.120 321 HG13 ILE 48 2HG1 ILE 48 6.730 8.317 -9.708 322 HG21 ILE 48 1HG2 ILE 48 5.398 6.256 -10.219 323 HG22 ILE 48 2HG2 ILE 48 3.963 7.134 -10.745 324 HG23 ILE 48 3HG2 ILE 48 4.758 6.006 -11.843 325 HD11 ILE 48 1HD1 ILE 48 7.610 6.086 -11.387 326 HD12 ILE 48 2HD1 ILE 48 8.908 7.003 -10.622 327 HD13 ILE 48 3HD1 ILE 48 7.640 6.277 -9.635 328 H GLN 49 H GLN 49 5.040 5.563 -14.012 329 HA GLN 49 HA GLN 49 3.270 7.045 -15.769 330 HB2 GLN 49 1HB GLN 49 3.852 4.120 -15.371 331 HB3 GLN 49 2HB GLN 49 2.504 4.660 -16.363 332 HG2 GLN 49 1HG GLN 49 4.261 6.074 -17.600 333 HG3 GLN 49 2HG GLN 49 5.437 5.018 -16.818 334 HE21 GLN 49 1HE2 GLN 49 5.910 4.549 -19.119 335 HE22 GLN 49 2HE2 GLN 49 5.016 3.285 -19.885 336 H ASN 50 H ASN 50 2.714 4.370 -13.472 337 HA ASN 50 HA ASN 50 0.332 5.780 -12.502 338 HB2 ASN 50 1HB ASN 50 -1.121 4.009 -12.862 339 HB3 ASN 50 2HB ASN 50 -0.104 3.922 -14.297 340 HD21 ASN 50 1HD2 ASN 50 -0.693 2.544 -11.129 341 HD22 ASN 50 2HD2 ASN 50 0.049 1.017 -11.448 342 H TYR 51 H TYR 51 -0.490 4.884 -10.449 343 HA TYR 51 HA TYR 51 1.706 3.748 -8.846 344 HB2 TYR 51 1HB TYR 51 -0.437 5.739 -8.107 345 HB3 TYR 51 2HB TYR 51 0.533 4.899 -6.903 346 HD1 TYR 51 1HD TYR 51 3.175 5.017 -7.449 347 HD2 TYR 51 2HD TYR 51 0.258 7.851 -8.698 348 HE1 TYR 51 1HE TYR 51 4.935 6.721 -7.673 349 HE2 TYR 51 2HE TYR 51 2.009 9.562 -8.927 350 HH TYR 51 HH TYR 51 4.264 9.885 -9.043 351 H LYS 52 H LYS 52 1.365 1.794 -8.042 352 HA LYS 52 HA LYS 52 -1.345 0.699 -8.056 353 HB2 LYS 52 1HB LYS 52 0.568 -0.537 -9.120 354 HB3 LYS 52 2HB LYS 52 1.256 -0.740 -7.514 355 HG2 LYS 52 1HG LYS 52 0.130 -2.747 -8.021 356 HG3 LYS 52 2HG LYS 52 -0.887 -1.888 -6.862 357 HD2 LYS 52 1HD LYS 52 -2.363 -2.687 -8.514 358 HD3 LYS 52 2HD LYS 52 -2.142 -0.974 -8.878 359 HE2 LYS 52 1HE LYS 52 -0.341 -2.963 -10.172 360 HE3 LYS 52 2HE LYS 52 -1.993 -2.806 -10.765 361 HZ1 LYS 52 1HZ LYS 52 0.242 -1.042 -11.103 362 HZ2 LYS 52 2HZ LYS 52 -1.142 -0.236 -10.560 363 HZ3 LYS 52 3HZ LYS 52 -1.197 -1.142 -11.988 364 H LEU 53 H LEU 53 -2.377 -0.074 -6.252 365 HA LEU 53 HA LEU 53 -1.015 0.228 -3.669 366 HB2 LEU 53 1HB LEU 53 -2.259 2.210 -3.771 367 HB3 LEU 53 2HB LEU 53 -3.641 1.405 -4.511 368 HG LEU 53 HG LEU 53 -3.963 0.207 -2.307 369 HD11 LEU 53 1HD1 LEU 53 -1.626 0.735 -1.518 370 HD12 LEU 53 2HD1 LEU 53 -2.918 1.029 -0.354 371 HD13 LEU 53 3HD1 LEU 53 -2.190 2.380 -1.222 372 HD21 LEU 53 1HD2 LEU 53 -4.291 3.170 -2.641 373 HD22 LEU 53 2HD2 LEU 53 -4.873 2.335 -1.201 374 HD23 LEU 53 3HD2 LEU 53 -5.502 1.896 -2.790 375 H TYR 54 H TYR 54 -1.313 -1.436 -2.323 376 HA TYR 54 HA TYR 54 -3.362 -3.425 -3.044 377 HB2 TYR 54 1HB TYR 54 -0.715 -3.787 -1.627 378 HB3 TYR 54 2HB TYR 54 -1.906 -5.064 -1.850 379 HD1 TYR 54 2HD TYR 54 -0.159 -2.505 -3.952 380 HD2 TYR 54 1HD TYR 54 -1.504 -6.524 -3.582 381 HE1 TYR 54 2HE TYR 54 0.824 -3.029 -6.144 382 HE2 TYR 54 1HE TYR 54 -0.523 -7.060 -5.772 383 HH TYR 54 HH TYR 54 1.667 -5.665 -7.197 384 H TYR 55 H TYR 55 -4.239 -4.693 -1.213 385 HA TYR 55 HA TYR 55 -4.097 -3.577 1.430 386 HB2 TYR 55 1HB TYR 55 -6.382 -2.842 1.621 387 HB3 TYR 55 2HB TYR 55 -5.651 -2.009 0.253 388 HD1 TYR 55 1HD TYR 55 -6.052 -3.081 -2.086 389 HD2 TYR 55 2HD TYR 55 -8.419 -3.923 1.348 390 HE1 TYR 55 1HE TYR 55 -7.874 -3.861 -3.541 391 HE2 TYR 55 2HE TYR 55 -10.248 -4.706 -0.098 392 HH TYR 55 HH TYR 55 -10.729 -5.407 -2.243 393 H MET 56 H MET 56 -4.512 -5.111 2.900 394 HA MET 56 HA MET 56 -6.324 -7.295 2.308 395 HB2 MET 56 1HB MET 56 -4.824 -9.028 2.274 396 HB3 MET 56 2HB MET 56 -3.847 -7.779 1.514 397 HG2 MET 56 1HG MET 56 -2.988 -7.286 3.874 398 HG3 MET 56 2HG MET 56 -3.687 -8.844 4.305 399 HE1 MET 56 1HE MET 56 -1.375 -11.211 3.871 400 HE2 MET 56 2HE MET 56 -0.493 -9.921 4.688 401 HE3 MET 56 3HE MET 56 -2.221 -10.129 4.977 402 H GLU 57 H GLU 57 -6.659 -8.707 4.208 403 HA GLU 57 HA GLU 57 -6.609 -7.101 6.635 404 HB2 GLU 57 1HB GLU 57 -8.709 -8.192 5.941 405 HB3 GLU 57 2HB GLU 57 -7.932 -9.763 6.085 406 HG2 GLU 57 1HG GLU 57 -7.498 -9.129 8.518 407 HG3 GLU 57 2HG GLU 57 -8.665 -7.834 8.256 408 H LYS 58 H LYS 58 -5.327 -7.467 8.334 409 HA LYS 58 HA LYS 58 -3.070 -9.076 8.196 410 HB2 LYS 58 1HB LYS 58 -3.789 -7.125 9.840 411 HB3 LYS 58 2HB LYS 58 -4.250 -8.473 10.871 412 HG2 LYS 58 1HG LYS 58 -2.112 -8.149 11.577 413 HG3 LYS 58 2HG LYS 58 -1.825 -9.314 10.282 414 HD2 LYS 58 1HD LYS 58 -1.581 -7.197 8.792 415 HD3 LYS 58 2HD LYS 58 -1.322 -6.364 10.327 416 HE2 LYS 58 1HE LYS 58 0.220 -8.829 9.577 417 HE3 LYS 58 2HE LYS 58 0.737 -7.221 9.072 418 HZ1 LYS 58 1HZ LYS 58 0.113 -7.400 11.873 419 HZ2 LYS 58 2HZ LYS 58 1.472 -6.746 11.108 420 HZ3 LYS 58 3HZ LYS 58 1.390 -8.409 11.411 421 H GLY 59 H GLY 59 -3.342 -11.207 7.729 422 HA2 GLY 59 1HA GLY 59 -3.363 -13.334 8.989 423 HA3 GLY 59 2HA GLY 59 -4.874 -12.788 9.702 424 H THR 60 H THR 60 -4.043 -12.388 6.317 425 HA THR 60 HA THR 60 -6.081 -14.406 5.636 426 HB THR 60 HB THR 60 -5.613 -12.097 3.805 427 HG1 THR 60 1HG THR 60 -6.375 -10.716 5.203 428 HG21 THR 60 1HG2 THR 60 -7.909 -13.910 4.506 429 HG22 THR 60 2HG2 THR 60 -7.088 -13.724 2.956 430 HG23 THR 60 3HG2 THR 60 -8.134 -12.440 3.559 431 H ASP 61 H ASP 61 -2.981 -13.002 4.955 432 HA ASP 61 HA ASP 61 -1.239 -13.659 3.648 433 HB2 ASP 61 1HB ASP 61 -2.759 -16.275 3.646 434 HB3 ASP 61 2HB ASP 61 -1.112 -16.075 3.055 435 H LYS 62 H LYS 62 -3.582 -12.430 2.432 436 HA LYS 62 HA LYS 62 -2.924 -12.971 -0.320 437 HB2 LYS 62 1HB LYS 62 -4.589 -14.675 -0.069 438 HB3 LYS 62 2HB LYS 62 -5.677 -13.571 0.761 439 HG2 LYS 62 1HG LYS 62 -6.625 -13.566 -1.304 440 HG3 LYS 62 2HG LYS 62 -5.488 -12.231 -1.502 441 HD2 LYS 62 1HD LYS 62 -4.083 -13.449 -2.850 442 HD3 LYS 62 2HD LYS 62 -4.580 -14.993 -2.153 443 HE2 LYS 62 1HE LYS 62 -6.508 -15.096 -3.439 444 HE3 LYS 62 2HE LYS 62 -6.523 -13.358 -3.735 445 HZ1 LYS 62 1HZ LYS 62 -4.502 -15.226 -4.850 446 HZ2 LYS 62 2HZ LYS 62 -4.675 -13.584 -5.218 447 HZ3 LYS 62 3HZ LYS 62 -5.868 -14.687 -5.690 448 H GLU 63 H GLU 63 -2.582 -10.977 -1.035 449 HA GLU 63 HA GLU 63 -4.379 -8.826 -0.139 450 HB2 GLU 63 1HB GLU 63 -2.628 -7.276 -0.512 451 HB3 GLU 63 2HB GLU 63 -1.891 -8.642 0.314 452 HG2 GLU 63 1HG GLU 63 -1.853 -8.494 -2.667 453 HG3 GLU 63 2HG GLU 63 -0.697 -7.567 -1.713 454 H GLN 64 H GLN 64 -4.970 -7.183 -1.708 455 HA GLN 64 HA GLN 64 -5.251 -8.323 -4.407 456 HB2 GLN 64 1HB GLN 64 -7.027 -6.576 -2.744 457 HB3 GLN 64 2HB GLN 64 -7.153 -6.530 -4.497 458 HG2 GLN 64 1HG GLN 64 -7.416 -9.022 -2.832 459 HG3 GLN 64 2HG GLN 64 -8.769 -8.056 -3.419 460 HE21 GLN 64 1HE2 GLN 64 -8.318 -7.514 -5.919 461 HE22 GLN 64 2HE2 GLN 64 -8.071 -8.930 -6.876 462 H ASP 65 H ASP 65 -5.837 -6.313 -5.975 463 HA ASP 65 HA ASP 65 -3.876 -4.179 -5.535 464 HB2 ASP 65 1HB ASP 65 -2.722 -4.523 -7.509 465 HB3 ASP 65 2HB ASP 65 -3.061 -6.183 -7.025 466 H VAL 66 H VAL 66 -4.582 -2.215 -6.122 467 HA VAL 66 HA VAL 66 -6.946 -2.048 -7.870 468 HB VAL 66 HB VAL 66 -7.715 -0.109 -6.480 469 HG11 VAL 66 1HG1 VAL 66 -9.122 -1.687 -5.790 470 HG12 VAL 66 2HG1 VAL 66 -7.870 -2.927 -5.891 471 HG13 VAL 66 3HG1 VAL 66 -8.043 -1.964 -4.423 472 HG21 VAL 66 1HG2 VAL 66 -6.777 0.428 -4.442 473 HG22 VAL 66 2HG2 VAL 66 -6.008 -1.149 -4.259 474 HG23 VAL 66 3HG2 VAL 66 -5.346 0.029 -5.392 475 H ASP 67 H ASP 67 -6.978 -0.393 -9.327 476 HA ASP 67 HA ASP 67 -4.485 0.859 -9.944 477 HB2 ASP 67 1HB ASP 67 -5.513 1.623 -11.909 478 HB3 ASP 67 2HB ASP 67 -6.333 0.101 -11.574 479 H VAL 68 H VAL 68 -3.773 2.854 -9.480 480 HA VAL 68 HA VAL 68 -5.657 4.832 -8.412 481 HB VAL 68 HB VAL 68 -3.056 4.076 -7.073 482 HG11 VAL 68 1HG1 VAL 68 -4.994 6.321 -6.578 483 HG12 VAL 68 2HG1 VAL 68 -3.860 5.755 -5.349 484 HG13 VAL 68 3HG1 VAL 68 -3.258 6.417 -6.869 485 HG21 VAL 68 1HG2 VAL 68 -4.869 3.819 -5.146 486 HG22 VAL 68 2HG2 VAL 68 -5.910 3.474 -6.527 487 HG23 VAL 68 3HG2 VAL 68 -4.471 2.496 -6.242 488 H SER 69 H SER 69 -5.356 6.794 -9.251 489 HA SER 69 HA SER 69 -2.768 7.375 -10.537 490 HB2 SER 69 1HB SER 69 -5.534 8.191 -11.461 491 HB3 SER 69 2HB SER 69 -4.024 8.722 -12.202 492 HG SER 69 HG SER 69 -4.549 5.978 -11.890 493 H SER 70 H SER 70 -3.168 8.017 -7.896 494 HA SER 70 HA SER 70 -2.771 10.849 -7.943 495 HB2 SER 70 1HB SER 70 -4.612 11.321 -6.267 496 HB3 SER 70 2HB SER 70 -5.157 10.988 -7.911 497 HG SER 70 HG SER 70 -5.685 9.645 -5.621 498 H HIS 71 H HIS 71 -2.316 11.701 -5.722 499 HA HIS 71 HA HIS 71 -0.687 9.778 -4.305 500 HB2 HIS 71 1HB HIS 71 -1.139 12.704 -3.688 501 HB3 HIS 71 2HB HIS 71 0.149 11.683 -3.055 502 HD1 HIS 71 1HD HIS 71 -0.768 13.790 -5.936 503 HD2 HIS 71 2HD HIS 71 2.160 11.002 -4.981 504 HE1 HIS 71 1HE HIS 71 1.022 14.071 -7.680 505 HE2 HIS 71 2HE HIS 71 2.743 12.316 -7.131 506 H SER 72 H SER 72 -3.824 10.144 -4.239 507 HA SER 72 HA SER 72 -4.031 9.420 -1.426 508 HB2 SER 72 1HB SER 72 -5.820 10.992 -0.956 509 HB3 SER 72 2HB SER 72 -4.404 11.883 -1.515 510 HG SER 72 HG SER 72 -5.610 11.487 -3.689 511 H TYR 73 H TYR 73 -5.448 7.814 -1.113 512 HA TYR 73 HA TYR 73 -7.581 7.369 -3.065 513 HB2 TYR 73 1HB TYR 73 -5.581 6.007 -3.733 514 HB3 TYR 73 2HB TYR 73 -5.710 5.159 -2.196 515 HD1 TYR 73 1HD TYR 73 -7.525 3.590 -1.788 516 HD2 TYR 73 2HD TYR 73 -7.188 5.624 -5.510 517 HE1 TYR 73 1HE TYR 73 -9.124 2.011 -2.788 518 HE2 TYR 73 2HE TYR 73 -8.787 4.051 -6.520 519 HH TYR 73 HH TYR 73 -9.947 2.166 -6.232 520 H THR 74 H THR 74 -9.266 5.960 -2.302 521 HA THR 74 HA THR 74 -9.274 5.537 0.610 522 HB THR 74 HB THR 74 -11.624 6.605 -0.965 523 HG1 THR 74 1HG THR 74 -10.318 8.334 -0.733 524 HG21 THR 74 1HG2 THR 74 -11.743 6.943 1.892 525 HG22 THR 74 2HG2 THR 74 -11.521 5.242 1.484 526 HG23 THR 74 3HG2 THR 74 -12.883 6.139 0.814 527 H ILE 75 H ILE 75 -9.660 3.485 1.087 528 HA ILE 75 HA ILE 75 -10.967 1.781 -0.909 529 HB ILE 75 HB ILE 75 -9.301 1.078 1.507 530 HG12 ILE 75 1HG1 ILE 75 -8.748 0.466 -1.393 531 HG13 ILE 75 2HG1 ILE 75 -8.216 1.965 -0.639 532 HG21 ILE 75 1HG2 ILE 75 -10.682 -0.739 -0.463 533 HG22 ILE 75 2HG2 ILE 75 -9.500 -1.258 0.738 534 HG23 ILE 75 3HG2 ILE 75 -11.042 -0.579 1.255 535 HD11 ILE 75 1HD1 ILE 75 -7.471 -0.788 0.315 536 HD12 ILE 75 2HD1 ILE 75 -6.469 0.233 -0.718 537 HD13 ILE 75 3HD1 ILE 75 -6.857 0.748 0.924 538 H ASN 76 H ASN 76 -13.027 1.258 -0.652 539 HA ASN 76 HA ASN 76 -14.183 1.375 2.055 540 HB2 ASN 76 1HB ASN 76 -15.790 1.503 -0.487 541 HB3 ASN 76 2HB ASN 76 -16.243 2.039 1.128 542 HD21 ASN 76 1HD2 ASN 76 -14.170 2.723 -1.621 543 HD22 ASN 76 2HD2 ASN 76 -13.991 4.411 -1.303 544 H GLY 77 H GLY 77 -15.911 -0.170 2.527 545 HA2 GLY 77 1HA GLY 77 -17.016 -2.225 2.250 546 HA3 GLY 77 2HA GLY 77 -15.987 -2.566 0.866 547 H LEU 78 H LEU 78 -15.301 -1.781 4.274 548 HA LEU 78 HA LEU 78 -13.758 -4.287 4.426 549 HB2 LEU 78 1HB LEU 78 -13.140 -1.722 5.879 550 HB3 LEU 78 2HB LEU 78 -12.178 -3.198 5.878 551 HG LEU 78 HG LEU 78 -12.613 -1.356 3.527 552 HD11 LEU 78 1HD1 LEU 78 -10.389 -1.730 5.489 553 HD12 LEU 78 2HD1 LEU 78 -11.110 -0.240 4.883 554 HD13 LEU 78 3HD1 LEU 78 -10.048 -1.191 3.845 555 HD21 LEU 78 1HD2 LEU 78 -12.414 -3.637 2.768 556 HD22 LEU 78 2HD2 LEU 78 -11.001 -3.892 3.792 557 HD23 LEU 78 3HD2 LEU 78 -10.913 -2.775 2.429 558 H LYS 79 H LYS 79 -13.321 -4.840 6.841 559 HA LYS 79 HA LYS 79 -15.917 -5.068 8.098 560 HB2 LYS 79 1HB LYS 79 -13.199 -6.215 8.709 561 HB3 LYS 79 2HB LYS 79 -14.564 -6.426 9.797 562 HG2 LYS 79 1HG LYS 79 -15.807 -7.398 7.809 563 HG3 LYS 79 2HG LYS 79 -14.242 -7.451 6.995 564 HD2 LYS 79 1HD LYS 79 -14.623 -9.593 7.983 565 HD3 LYS 79 2HD LYS 79 -13.373 -8.781 8.928 566 HE2 LYS 79 1HE LYS 79 -14.971 -8.198 10.631 567 HE3 LYS 79 2HE LYS 79 -16.299 -8.826 9.656 568 HZ1 LYS 79 1HZ LYS 79 -15.751 -10.970 10.121 569 HZ2 LYS 79 2HZ LYS 79 -15.209 -10.248 11.551 570 HZ3 LYS 79 3HZ LYS 79 -14.105 -10.643 10.332 571 H LYS 80 H LYS 80 -16.089 -4.744 10.497 572 HA LYS 80 HA LYS 80 -15.074 -2.096 11.149 573 HB2 LYS 80 1HB LYS 80 -17.240 -3.858 12.237 574 HB3 LYS 80 2HB LYS 80 -16.621 -2.535 13.217 575 HG2 LYS 80 1HG LYS 80 -17.520 -0.931 11.874 576 HG3 LYS 80 2HG LYS 80 -17.427 -1.934 10.425 577 HD2 LYS 80 1HD LYS 80 -19.313 -2.555 12.682 578 HD3 LYS 80 2HD LYS 80 -19.750 -1.459 11.369 579 HE2 LYS 80 1HE LYS 80 -19.495 -3.188 9.746 580 HE3 LYS 80 2HE LYS 80 -18.774 -4.275 10.931 581 HZ1 LYS 80 1HZ LYS 80 -20.894 -5.048 10.932 582 HZ2 LYS 80 2HZ LYS 80 -21.579 -3.554 10.534 583 HZ3 LYS 80 3HZ LYS 80 -21.068 -3.855 12.119 584 H TYR 81 H TYR 81 -13.798 -1.609 12.903 585 HA TYR 81 HA TYR 81 -12.042 -1.950 14.321 586 HB2 TYR 81 1HB TYR 81 -14.186 -2.623 15.630 587 HB3 TYR 81 2HB TYR 81 -13.580 -4.267 15.459 588 HD1 TYR 81 2HD TYR 81 -12.255 -0.907 16.447 589 HD2 TYR 81 1HD TYR 81 -12.364 -5.088 17.230 590 HE1 TYR 81 2HE TYR 81 -10.809 -0.572 18.408 591 HE2 TYR 81 1HE TYR 81 -10.919 -4.764 19.194 592 HH TYR 81 HH TYR 81 -9.943 -1.530 20.243 593 H THR 82 H THR 82 -11.441 -3.054 11.949 594 HA THR 82 HA THR 82 -10.024 -5.517 12.712 595 HB THR 82 HB THR 82 -11.456 -5.003 10.102 596 HG1 THR 82 1HG THR 82 -12.636 -5.887 11.957 597 HG21 THR 82 1HG2 THR 82 -10.586 -7.258 9.457 598 HG22 THR 82 2HG2 THR 82 -9.513 -7.186 10.855 599 HG23 THR 82 3HG2 THR 82 -9.347 -6.008 9.554 600 H GLU 83 H GLU 83 -7.965 -5.780 11.861 601 HA GLU 83 HA GLU 83 -6.661 -3.337 11.049 602 HB2 GLU 83 1HB GLU 83 -5.808 -5.288 12.621 603 HB3 GLU 83 2HB GLU 83 -5.240 -5.962 11.100 604 HG2 GLU 83 1HG GLU 83 -3.838 -4.101 10.693 605 HG3 GLU 83 2HG GLU 83 -4.574 -3.176 12.001 606 H TYR 84 H TYR 84 -5.375 -3.098 9.157 607 HA TYR 84 HA TYR 84 -5.682 -5.032 7.017 608 HB2 TYR 84 1HB TYR 84 -6.942 -2.300 6.956 609 HB3 TYR 84 2HB TYR 84 -6.478 -3.124 5.472 610 HD1 TYR 84 2HD TYR 84 -7.519 -5.365 4.955 611 HD2 TYR 84 1HD TYR 84 -8.944 -2.849 8.076 612 HE1 TYR 84 2HE TYR 84 -9.648 -6.597 4.968 613 HE2 TYR 84 1HE TYR 84 -11.077 -4.075 8.099 614 HH TYR 84 HH TYR 84 -11.571 -6.938 6.092 615 H SER 85 H SER 85 -3.894 -5.109 5.817 616 HA SER 85 HA SER 85 -1.781 -3.198 6.331 617 HB2 SER 85 1HB SER 85 -1.560 -5.782 6.079 618 HB3 SER 85 2HB SER 85 -1.578 -5.447 4.347 619 HG SER 85 HG SER 85 0.275 -4.279 4.551 620 H PHE 86 H PHE 86 -0.623 -2.085 4.666 621 HA PHE 86 HA PHE 86 -1.926 -1.820 2.075 622 HB2 PHE 86 1HB PHE 86 -1.540 0.509 3.966 623 HB3 PHE 86 2HB PHE 86 -1.969 0.666 2.266 624 HD1 PHE 86 2HD PHE 86 -4.103 -0.661 1.528 625 HD2 PHE 86 1HD PHE 86 -3.213 0.447 5.540 626 HE1 PHE 86 2HE PHE 86 -6.484 -0.869 2.110 627 HE2 PHE 86 1HE PHE 86 -5.593 0.240 6.129 628 HZ PHE 86 HZ PHE 86 -7.232 -0.418 4.413 629 H ARG 87 H ARG 87 -0.537 -1.313 0.451 630 HA ARG 87 HA ARG 87 2.104 -0.262 1.066 631 HB2 ARG 87 1HB ARG 87 3.305 -2.063 0.003 632 HB3 ARG 87 2HB ARG 87 2.302 -2.731 1.284 633 HG2 ARG 87 1HG ARG 87 0.778 -3.656 -0.238 634 HG3 ARG 87 2HG ARG 87 1.396 -2.682 -1.574 635 HD2 ARG 87 1HD ARG 87 2.406 -4.673 -2.051 636 HD3 ARG 87 2HD ARG 87 3.635 -3.961 -1.007 637 HE ARG 87 HE ARG 87 1.789 -5.466 0.521 638 HH11 ARG 87 2HH1 ARG 87 4.453 -5.823 -1.693 639 HH12 ARG 87 1HH1 ARG 87 4.942 -7.360 -1.061 640 HH21 ARG 87 2HH2 ARG 87 2.424 -7.489 1.362 641 HH22 ARG 87 1HH2 ARG 87 3.787 -8.307 0.676 642 H VAL 88 H VAL 88 2.993 0.885 -0.592 643 HA VAL 88 HA VAL 88 1.368 1.094 -3.037 644 HB VAL 88 HB VAL 88 3.255 3.109 -1.811 645 HG11 VAL 88 1HG1 VAL 88 3.415 3.480 -4.110 646 HG12 VAL 88 2HG1 VAL 88 1.714 3.099 -4.384 647 HG13 VAL 88 3HG1 VAL 88 2.164 4.607 -3.587 648 HG21 VAL 88 1HG2 VAL 88 1.121 4.435 -1.586 649 HG22 VAL 88 2HG2 VAL 88 0.252 2.947 -1.966 650 HG23 VAL 88 3HG2 VAL 88 1.264 3.034 -0.524 651 H VAL 89 H VAL 89 2.302 0.953 -5.040 652 HA VAL 89 HA VAL 89 5.192 0.426 -5.160 653 HB VAL 89 HB VAL 89 3.055 -1.208 -6.534 654 HG11 VAL 89 1HG1 VAL 89 5.115 -0.743 -7.899 655 HG12 VAL 89 2HG1 VAL 89 6.036 -1.608 -6.667 656 HG13 VAL 89 3HG1 VAL 89 4.787 -2.447 -7.587 657 HG21 VAL 89 1HG2 VAL 89 4.861 -2.797 -5.058 658 HG22 VAL 89 2HG2 VAL 89 4.356 -1.475 -4.006 659 HG23 VAL 89 3HG2 VAL 89 3.147 -2.524 -4.747 660 H ALA 90 H ALA 90 6.221 1.472 -6.748 661 HA ALA 90 HA ALA 90 4.668 3.165 -8.523 662 HB1 ALA 90 1HB ALA 90 6.784 4.207 -9.082 663 HB2 ALA 90 2HB ALA 90 6.614 4.077 -7.331 664 HB3 ALA 90 3HB ALA 90 7.659 2.953 -8.201 665 H TYR 91 H TYR 91 4.316 2.805 -10.624 666 HA TYR 91 HA TYR 91 5.779 0.591 -11.907 667 HB2 TYR 91 1HB TYR 91 2.886 1.363 -12.001 668 HB3 TYR 91 2HB TYR 91 3.610 0.536 -13.376 669 HD1 TYR 91 2HD TYR 91 2.669 0.230 -9.838 670 HD2 TYR 91 1HD TYR 91 4.242 -1.785 -13.239 671 HE1 TYR 91 2HE TYR 91 2.339 -1.928 -8.705 672 HE2 TYR 91 1HE TYR 91 3.916 -3.949 -12.116 673 HH TYR 91 HH TYR 91 3.541 -4.354 -8.980 674 H ASN 92 H ASN 92 7.042 1.200 -13.522 675 HA ASN 92 HA ASN 92 6.265 3.550 -15.117 676 HB2 ASN 92 1HB ASN 92 9.117 2.823 -14.434 677 HB3 ASN 92 2HB ASN 92 8.544 4.287 -15.228 678 HD21 ASN 92 1HD2 ASN 92 10.134 4.642 -13.149 679 HD22 ASN 92 2HD2 ASN 92 9.258 5.179 -11.760 680 H LYS 93 H LYS 93 7.473 3.607 -17.252 681 HA LYS 93 HA LYS 93 6.792 1.595 -18.909 682 HB2 LYS 93 1HB LYS 93 8.582 2.340 -20.442 683 HB3 LYS 93 2HB LYS 93 7.693 3.687 -19.742 684 HG2 LYS 93 1HG LYS 93 9.607 3.704 -17.989 685 HG3 LYS 93 2HG LYS 93 10.489 2.787 -19.212 686 HD2 LYS 93 1HD LYS 93 9.862 4.631 -20.840 687 HD3 LYS 93 2HD LYS 93 9.342 5.561 -19.432 688 HE2 LYS 93 1HE LYS 93 11.543 5.545 -18.517 689 HE3 LYS 93 2HE LYS 93 12.097 4.378 -19.716 690 HZ1 LYS 93 1HZ LYS 93 12.570 6.013 -21.113 691 HZ2 LYS 93 2HZ LYS 93 12.228 7.126 -19.887 692 HZ3 LYS 93 3HZ LYS 93 11.019 6.674 -20.981 693 H HIS 94 H HIS 94 9.845 1.792 -17.117 694 HA HIS 94 HA HIS 94 11.020 -0.536 -18.159 695 HB2 HIS 94 1HB HIS 94 11.492 0.360 -15.332 696 HB3 HIS 94 2HB HIS 94 12.639 -0.311 -16.488 697 HD1 HIS 94 1HD HIS 94 13.564 1.323 -18.316 698 HD2 HIS 94 2HD HIS 94 11.196 3.112 -15.408 699 HE1 HIS 94 1HE HIS 94 13.974 3.793 -18.542 700 HE2 HIS 94 2HE HIS 94 12.596 4.850 -16.717 701 H GLY 95 H GLY 95 9.436 -0.109 -14.983 702 HA2 GLY 95 1HA GLY 95 7.733 -2.247 -15.023 703 HA3 GLY 95 2HA GLY 95 9.278 -2.945 -14.561 704 HA PRO 96 HA PRO 96 7.005 -1.386 -10.778 705 HB2 PRO 96 1HB PRO 96 7.019 -3.755 -9.452 706 HB3 PRO 96 2HB PRO 96 5.731 -3.287 -10.569 707 HG2 PRO 96 1HG PRO 96 8.087 -5.074 -11.036 708 HG3 PRO 96 2HG PRO 96 6.401 -5.291 -11.539 709 HD2 PRO 96 1HD PRO 96 8.321 -4.397 -13.226 710 HD3 PRO 96 2HD PRO 96 6.627 -3.880 -13.348 711 H GLY 97 H GLY 97 8.233 -0.432 -9.281 712 HA2 GLY 97 1HA GLY 97 10.985 -1.322 -8.920 713 HA3 GLY 97 2HA GLY 97 10.289 0.181 -8.331 714 H VAL 98 H VAL 98 11.163 -0.112 -6.265 715 HA VAL 98 HA VAL 98 10.892 -2.418 -4.697 716 HB VAL 98 HB VAL 98 11.414 -1.033 -2.781 717 HG11 VAL 98 1HG1 VAL 98 13.486 -1.150 -3.579 718 HG12 VAL 98 2HG1 VAL 98 12.916 -0.998 -5.242 719 HG13 VAL 98 3HG1 VAL 98 13.240 0.447 -4.284 720 HG21 VAL 98 1HG2 VAL 98 11.412 1.488 -4.332 721 HG22 VAL 98 2HG2 VAL 98 9.843 0.856 -3.832 722 HG23 VAL 98 3HG2 VAL 98 11.079 1.207 -2.623 723 H SER 99 H SER 99 9.697 -2.100 -2.421 724 HA SER 99 HA SER 99 6.952 -1.181 -2.913 725 HB2 SER 99 1HB SER 99 6.942 -3.583 -3.343 726 HB3 SER 99 2HB SER 99 7.717 -3.887 -1.788 727 HG SER 99 HG SER 99 5.674 -2.534 -1.111 728 H THR 100 H THR 100 6.502 0.275 -1.413 729 HA THR 100 HA THR 100 7.932 0.895 0.836 730 HB THR 100 HB THR 100 5.534 1.665 1.719 731 HG1 THR 100 1HG THR 100 4.413 2.152 -0.444 732 HG21 THR 100 1HG2 THR 100 7.513 2.772 -0.105 733 HG22 THR 100 2HG2 THR 100 6.671 3.534 1.244 734 HG23 THR 100 3HG2 THR 100 5.910 3.465 -0.346 735 HA PRO 101 HA PRO 101 7.163 -2.076 3.973 736 HB2 PRO 101 1HB PRO 101 6.943 -0.533 6.196 737 HB3 PRO 101 2HB PRO 101 8.479 -0.807 5.365 738 HG2 PRO 101 1HG PRO 101 6.625 1.538 5.195 739 HG3 PRO 101 2HG PRO 101 8.395 1.516 5.306 740 HD2 PRO 101 1HD PRO 101 7.086 1.897 2.966 741 HD3 PRO 101 2HD PRO 101 8.656 1.072 3.060 742 H ASP 102 H ASP 102 5.443 -3.207 4.639 743 HA ASP 102 HA ASP 102 2.841 -2.619 4.114 744 HB2 ASP 102 1HB ASP 102 3.900 -4.260 6.424 745 HB3 ASP 102 2HB ASP 102 2.230 -4.285 5.864 746 H VAL 103 H VAL 103 1.240 -1.425 4.967 747 HA VAL 103 HA VAL 103 1.805 0.002 7.486 748 HB VAL 103 HB VAL 103 0.273 0.950 5.063 749 HG11 VAL 103 1HG1 VAL 103 -0.979 2.108 6.508 750 HG12 VAL 103 2HG1 VAL 103 0.093 1.748 7.862 751 HG13 VAL 103 3HG1 VAL 103 0.461 3.088 6.775 752 HG21 VAL 103 1HG2 VAL 103 2.984 1.144 5.789 753 HG22 VAL 103 2HG2 VAL 103 2.158 1.962 4.463 754 HG23 VAL 103 3HG2 VAL 103 2.282 2.742 6.040 755 H ALA 104 H ALA 104 0.789 -1.693 8.681 756 HA ALA 104 HA ALA 104 -1.963 -2.365 8.197 757 HB1 ALA 104 1HB ALA 104 -0.016 -3.042 10.380 758 HB2 ALA 104 2HB ALA 104 -1.712 -3.523 10.454 759 HB3 ALA 104 3HB ALA 104 -0.689 -4.096 9.136 760 H VAL 105 H VAL 105 -3.762 -1.605 9.195 761 HA VAL 105 HA VAL 105 -3.533 0.173 11.484 762 HB VAL 105 HB VAL 105 -3.307 1.626 9.449 763 HG11 VAL 105 1HG1 VAL 105 -4.882 0.255 8.060 764 HG12 VAL 105 2HG1 VAL 105 -6.208 0.962 8.986 765 HG13 VAL 105 3HG1 VAL 105 -5.166 1.995 8.007 766 HG21 VAL 105 1HG2 VAL 105 -4.162 2.437 11.630 767 HG22 VAL 105 2HG2 VAL 105 -4.813 3.326 10.253 768 HG23 VAL 105 3HG2 VAL 105 -5.803 2.116 11.069 769 H ARG 106 H ARG 106 -5.413 0.338 12.690 770 HA ARG 106 HA ARG 106 -7.450 -1.655 12.044 771 HB2 ARG 106 1HB ARG 106 -6.239 -1.460 14.319 772 HB3 ARG 106 2HB ARG 106 -7.299 -0.086 14.604 773 HG2 ARG 106 1HG ARG 106 -9.228 -1.651 14.111 774 HG3 ARG 106 2HG ARG 106 -8.053 -2.964 14.215 775 HD2 ARG 106 1HD ARG 106 -8.263 -0.946 16.414 776 HD3 ARG 106 2HD ARG 106 -9.411 -2.281 16.323 777 HE ARG 106 HE ARG 106 -6.690 -2.417 17.164 778 HH11 ARG 106 2HH1 ARG 106 -9.228 -4.205 15.588 779 HH12 ARG 106 1HH1 ARG 106 -8.588 -5.754 16.026 780 HH21 ARG 106 2HH2 ARG 106 -5.837 -4.451 17.746 781 HH22 ARG 106 1HH2 ARG 106 -6.659 -5.892 17.254 782 H THR 107 H THR 107 -9.499 -1.166 11.523 783 HA THR 107 HA THR 107 -10.160 1.559 10.911 784 HB THR 107 HB THR 107 -12.425 0.531 10.310 785 HG1 THR 107 1HG THR 107 -12.546 -1.683 10.288 786 HG21 THR 107 1HG2 THR 107 -10.026 0.663 8.937 787 HG22 THR 107 2HG2 THR 107 -11.612 0.345 8.233 788 HG23 THR 107 3HG2 THR 107 -10.561 -0.997 8.683 789 H LEU 108 H LEU 108 -12.429 2.357 11.539 790 HA LEU 108 HA LEU 108 -12.501 2.576 14.389 791 HB2 LEU 108 1HB LEU 108 -14.634 3.506 12.488 792 HB3 LEU 108 2HB LEU 108 -14.236 4.151 14.079 793 HG LEU 108 HG LEU 108 -12.463 4.369 11.647 794 HD11 LEU 108 1HD1 LEU 108 -14.689 5.615 11.588 795 HD12 LEU 108 2HD1 LEU 108 -13.222 6.562 11.343 796 HD13 LEU 108 3HD1 LEU 108 -14.039 6.591 12.905 797 HD21 LEU 108 1HD2 LEU 108 -10.921 4.797 13.208 798 HD22 LEU 108 2HD2 LEU 108 -12.125 4.960 14.486 799 HD23 LEU 108 3HD2 LEU 108 -11.767 6.328 13.432 800 H SER 109 H SER 109 -14.267 2.036 15.767 801 HA SER 109 HA SER 109 -15.703 -0.366 14.867 802 HB2 SER 109 1HB SER 109 -14.350 -0.870 16.763 803 HB3 SER 109 2HB SER 109 -14.878 0.582 17.613 804 HG SER 109 HG SER 109 -16.041 -1.087 18.459 805 H ASP 110 H ASP 110 -17.783 -0.152 14.421 806 HA ASP 110 HA ASP 110 -19.234 2.210 15.255 807 HB2 ASP 110 1HB ASP 110 -19.590 1.508 12.995 808 HB3 ASP 110 2HB ASP 110 -19.966 -0.136 13.502 809 H SER 111 H SER 111 -19.697 2.104 17.402 810 HA SER 111 HA SER 111 -21.282 -0.213 18.302 811 HB2 SER 111 1HB SER 111 -19.258 1.472 19.759 812 HB3 SER 111 2HB SER 111 -20.480 0.555 20.638 813 HG SER 111 HG SER 111 -19.652 -1.265 19.231 814 H GLY 112 H GLY 112 -22.534 1.864 16.980 815 HA2 GLY 112 1HA GLY 112 -24.392 3.198 17.201 816 HA3 GLY 112 2HA GLY 112 -24.524 2.606 18.850 817 HA PRO 113 HA PRO 113 -23.630 7.114 19.130 818 HB2 PRO 113 1HB PRO 113 -25.312 7.537 21.218 819 HB3 PRO 113 2HB PRO 113 -25.849 7.552 19.534 820 HG2 PRO 113 1HG PRO 113 -26.047 5.362 21.566 821 HG3 PRO 113 2HG PRO 113 -27.258 5.914 20.394 822 HD2 PRO 113 1HD PRO 113 -25.740 3.708 19.992 823 HD3 PRO 113 2HD PRO 113 -26.297 4.740 18.659 824 H SER 114 H SER 114 -21.513 6.654 19.866 825 HA SER 114 HA SER 114 -21.244 6.050 22.729 826 HB2 SER 114 1HB SER 114 -20.000 4.592 21.155 827 HB3 SER 114 2HB SER 114 -19.125 6.005 20.565 828 HG SER 114 HG SER 114 -18.292 6.276 22.673 829 H SER 115 H SER 115 -21.192 7.823 23.942 830 HA SER 115 HA SER 115 -19.313 9.948 23.229 831 HB2 SER 115 1HB SER 115 -21.541 10.678 22.425 832 HB3 SER 115 2HB SER 115 -22.175 10.490 24.060 833 HG SER 115 HG SER 115 -20.844 12.139 24.746 834 H GLY 116 H GLY 116 -18.068 10.460 24.905 835 HA2 GLY 116 1HA GLY 116 -19.053 10.680 27.576 836 HA3 GLY 116 2HA GLY 116 -18.126 9.203 27.358
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