NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
634581 | 6bzj | 30389 | 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 HT1 GLY 1 3.911 13.308 71.550 2 H2 GLY 1 HT2 GLY 1 2.352 13.644 72.136 3 H3 GLY 1 HT3 GLY 1 3.480 14.901 71.946 4 HA2 GLY 1 HA2 GLY 1 2.278 15.226 70.062 5 HA3 GLY 1 HA1 GLY 1 3.475 14.072 69.470 6 H SER 2 HN SER 2 0.150 14.568 70.336 7 HA SER 2 HA SER 2 -0.628 12.172 68.891 8 HB2 SER 2 HB2 SER 2 -1.888 11.182 70.711 9 HB3 SER 2 HB1 SER 2 -0.209 11.356 71.210 10 HG SER 2 HG SER 2 -1.607 13.596 71.749 11 H ALA 3 HN ALA 3 -3.000 12.039 68.645 12 HA ALA 3 HA ALA 3 -5.025 12.971 68.097 13 HB1 ALA 3 HB1 ALA 3 -4.885 13.555 70.597 14 HB2 ALA 3 HB2 ALA 3 -6.000 14.498 69.606 15 HB3 ALA 3 HB3 ALA 3 -4.437 15.177 70.066 16 H GLY 4 HN GLY 4 -2.535 13.791 66.726 17 HA2 GLY 4 HA2 GLY 4 -2.103 15.160 64.911 18 HA3 GLY 4 HA1 GLY 4 -3.652 15.947 65.186 19 H LEU 5 HN LEU 5 -1.569 15.746 67.908 20 HA LEU 5 HA LEU 5 -1.456 18.532 68.278 21 HB2 LEU 5 HB2 LEU 5 -1.181 16.941 70.124 22 HB3 LEU 5 HB1 LEU 5 0.329 16.369 69.423 23 HG LEU 5 HG LEU 5 1.314 18.623 69.694 24 HD11 LEU 5 HD11 LEU 5 -0.104 20.160 71.292 25 HD12 LEU 5 HD12 LEU 5 -1.475 19.248 70.659 26 HD13 LEU 5 HD13 LEU 5 -0.445 20.171 69.563 27 HD21 LEU 5 HD21 LEU 5 1.592 17.006 71.502 28 HD22 LEU 5 HD22 LEU 5 0.034 17.466 72.189 29 HD23 LEU 5 HD23 LEU 5 1.372 18.615 72.189 30 H GLN 6 HN GLN 6 0.931 16.252 66.959 31 HA GLN 6 HA GLN 6 2.880 18.312 66.456 32 HB2 GLN 6 HB2 GLN 6 2.673 15.417 65.615 33 HB3 GLN 6 HB1 GLN 6 4.016 16.462 65.159 34 HG2 GLN 6 HG2 GLN 6 4.610 16.831 67.471 35 HG3 GLN 6 HG1 GLN 6 3.157 15.998 68.026 36 HE21 GLN 6 HE21 GLN 6 6.012 15.271 68.575 37 HE22 GLN 6 HE22 GLN 6 6.199 13.691 67.983 38 H GLU 7 HN GLU 7 3.435 19.230 64.494 39 HA GLU 7 HA GLU 7 1.329 19.669 62.650 40 HB2 GLU 7 HB2 GLU 7 2.987 20.925 61.346 41 HB3 GLU 7 HB1 GLU 7 3.055 21.355 63.051 42 HG2 GLU 7 HG2 GLU 7 4.877 19.164 62.073 43 HG3 GLU 7 HG1 GLU 7 5.283 20.825 61.672 44 H LYS 8 HN LYS 8 3.713 17.218 62.887 45 HA LYS 8 HA LYS 8 3.788 16.509 60.102 46 HB2 LYS 8 HB2 LYS 8 4.613 15.027 62.606 47 HB3 LYS 8 HB1 LYS 8 4.833 14.387 60.979 48 HG2 LYS 8 HG2 LYS 8 6.184 16.372 60.382 49 HG3 LYS 8 HG1 LYS 8 5.979 17.000 62.016 50 HD2 LYS 8 HD2 LYS 8 7.113 15.032 62.941 51 HD3 LYS 8 HD1 LYS 8 7.283 14.352 61.323 52 HE2 LYS 8 HE2 LYS 8 9.371 15.449 61.986 53 HE3 LYS 8 HE1 LYS 8 8.625 16.333 60.653 54 HZ1 LYS 8 HZ1 LYS 8 8.787 18.107 61.960 55 HZ2 LYS 8 HZ2 LYS 8 9.138 17.178 63.339 56 HZ3 LYS 8 HZ3 LYS 8 7.525 17.445 62.880 57 H GLU 9 HN GLU 9 2.667 14.913 59.030 58 HA GLU 9 HA GLU 9 0.576 13.440 60.504 59 HB2 GLU 9 HB2 GLU 9 0.144 15.181 58.064 60 HB3 GLU 9 HB1 GLU 9 -1.011 13.961 58.602 61 HG2 GLU 9 HG2 GLU 9 -1.255 15.072 60.754 62 HG3 GLU 9 HG1 GLU 9 0.006 16.230 60.336 63 H ARG 10 HN ARG 10 -0.636 12.103 58.460 64 HA ARG 10 HA ARG 10 1.227 10.093 57.796 65 HB2 ARG 10 HB2 ARG 10 -1.538 10.708 56.744 66 HB3 ARG 10 HB1 ARG 10 -0.623 9.271 56.287 67 HG2 ARG 10 HG2 ARG 10 -0.531 8.520 58.587 68 HG3 ARG 10 HG1 ARG 10 -1.249 10.028 59.154 69 HD2 ARG 10 HD2 ARG 10 -2.628 8.103 57.266 70 HD3 ARG 10 HD1 ARG 10 -2.882 8.123 59.008 71 HE ARG 10 HE ARG 10 -3.315 10.726 58.071 72 HH11 ARG 10 HH11 ARG 10 -5.434 11.447 57.683 73 HH12 ARG 10 HH12 ARG 10 -6.698 10.294 57.408 74 HH21 ARG 10 HH21 ARG 10 -4.618 7.539 57.731 75 HH22 ARG 10 HH22 ARG 10 -6.236 8.081 57.434 76 H GLU 11 HN GLU 11 -0.057 12.832 55.971 77 HA GLU 11 HA GLU 11 0.870 12.166 53.427 78 HB2 GLU 11 HB2 GLU 11 0.649 14.484 52.861 79 HB3 GLU 11 HB1 GLU 11 -0.626 14.112 54.019 80 HG2 GLU 11 HG2 GLU 11 0.882 15.002 55.844 81 HG3 GLU 11 HG1 GLU 11 1.998 15.528 54.586 82 H LEU 12 HN LEU 12 2.651 13.028 56.231 83 HA LEU 12 HA LEU 12 4.938 14.196 55.081 84 HB2 LEU 12 HB2 LEU 12 4.529 14.199 57.500 85 HB3 LEU 12 HB1 LEU 12 4.707 12.447 57.546 86 HG LEU 12 HG LEU 12 7.050 12.665 56.771 87 HD11 LEU 12 HD11 LEU 12 7.179 14.617 55.479 88 HD12 LEU 12 HD12 LEU 12 7.956 15.127 56.976 89 HD13 LEU 12 HD13 LEU 12 6.281 15.578 56.656 90 HD21 LEU 12 HD21 LEU 12 6.327 14.372 59.170 91 HD22 LEU 12 HD22 LEU 12 7.938 13.736 58.838 92 HD23 LEU 12 HD23 LEU 12 6.605 12.632 59.175 93 H GLU 13 HN GLU 13 4.108 10.803 55.721 94 HA GLU 13 HA GLU 13 6.553 9.692 54.827 95 HB2 GLU 13 HB2 GLU 13 3.767 8.545 55.025 96 HB3 GLU 13 HB1 GLU 13 5.157 7.593 54.508 97 HG2 GLU 13 HG2 GLU 13 6.286 7.973 56.611 98 HG3 GLU 13 HG1 GLU 13 5.055 9.122 57.126 99 H ASP 14 HN ASP 14 3.540 10.492 53.159 100 HA ASP 14 HA ASP 14 4.142 9.301 50.677 101 HB2 ASP 14 HB2 ASP 14 2.410 11.662 51.419 102 HB3 ASP 14 HB1 ASP 14 2.514 11.029 49.776 103 H LEU 15 HN LEU 15 4.886 12.496 52.002 104 HA LEU 15 HA LEU 15 5.929 13.651 49.658 105 HB2 LEU 15 HB2 LEU 15 5.377 14.970 51.652 106 HB3 LEU 15 HB1 LEU 15 6.662 14.169 52.551 107 HG LEU 15 HG LEU 15 8.340 15.100 50.986 108 HD11 LEU 15 HD11 LEU 15 5.855 16.137 49.628 109 HD12 LEU 15 HD12 LEU 15 7.279 15.380 48.913 110 HD13 LEU 15 HD13 LEU 15 7.366 17.038 49.495 111 HD21 LEU 15 HD21 LEU 15 6.475 17.253 52.024 112 HD22 LEU 15 HD22 LEU 15 8.215 17.391 51.768 113 HD23 LEU 15 HD23 LEU 15 7.589 16.342 53.043 114 H LYS 16 HN LYS 16 7.486 11.801 52.258 115 HA LYS 16 HA LYS 16 10.132 12.000 51.301 116 HB2 LYS 16 HB2 LYS 16 8.759 9.907 52.996 117 HB3 LYS 16 HB1 LYS 16 10.494 9.904 52.667 118 HG2 LYS 16 HG2 LYS 16 10.686 12.165 53.636 119 HG3 LYS 16 HG1 LYS 16 8.953 12.169 53.971 120 HD2 LYS 16 HD2 LYS 16 9.234 10.189 55.425 121 HD3 LYS 16 HD1 LYS 16 10.968 10.211 55.110 122 HE2 LYS 16 HE2 LYS 16 9.407 12.482 56.373 123 HE3 LYS 16 HE1 LYS 16 10.402 11.326 57.258 124 HZ1 LYS 16 HZ1 LYS 16 11.624 13.352 56.802 125 HZ2 LYS 16 HZ2 LYS 16 11.356 13.170 55.134 126 HZ3 LYS 16 HZ3 LYS 16 12.318 12.046 55.971 127 H ASP 17 HN ASP 17 7.538 9.691 50.630 128 HA ASP 17 HA ASP 17 9.043 7.835 49.137 129 HB2 ASP 17 HB2 ASP 17 6.121 8.595 49.059 130 HB3 ASP 17 HB1 ASP 17 6.795 7.286 48.091 131 H ALA 18 HN ALA 18 7.365 10.808 48.203 132 HA ALA 18 HA ALA 18 7.648 10.555 45.412 133 HB1 ALA 18 HB1 ALA 18 6.200 12.227 46.605 134 HB2 ALA 18 HB2 ALA 18 7.180 12.916 45.310 135 HB3 ALA 18 HB3 ALA 18 7.663 13.134 46.993 136 H GLU 19 HN GLU 19 9.783 11.916 47.885 137 HA GLU 19 HA GLU 19 11.717 13.011 46.144 138 HB2 GLU 19 HB2 GLU 19 11.905 11.990 48.983 139 HB3 GLU 19 HB1 GLU 19 13.244 12.782 48.149 140 HG2 GLU 19 HG2 GLU 19 11.935 14.799 47.839 141 HG3 GLU 19 HG1 GLU 19 10.495 14.011 48.484 142 H LEU 20 HN LEU 20 11.348 9.792 47.564 143 HA LEU 20 HA LEU 20 13.823 8.724 46.755 144 HB2 LEU 20 HB2 LEU 20 12.367 7.612 48.388 145 HB3 LEU 20 HB1 LEU 20 11.157 7.333 47.139 146 HG LEU 20 HG LEU 20 12.770 5.928 45.890 147 HD11 LEU 20 HD11 LEU 20 14.919 6.716 46.398 148 HD12 LEU 20 HD12 LEU 20 14.849 5.236 47.349 149 HD13 LEU 20 HD13 LEU 20 14.593 6.797 48.130 150 HD21 LEU 20 HD21 LEU 20 12.845 4.054 47.524 151 HD22 LEU 20 HD22 LEU 20 11.278 4.863 47.515 152 HD23 LEU 20 HD23 LEU 20 12.430 5.185 48.812 153 H LYS 21 HN LYS 21 10.662 8.799 45.140 154 HA LYS 21 HA LYS 21 11.363 7.288 42.873 155 HB2 LYS 21 HB2 LYS 21 9.037 7.857 43.469 156 HB3 LYS 21 HB1 LYS 21 9.358 9.549 43.092 157 HG2 LYS 21 HG2 LYS 21 9.860 8.956 40.759 158 HG3 LYS 21 HG1 LYS 21 9.603 7.249 41.127 159 HD2 LYS 21 HD2 LYS 21 7.263 7.746 41.758 160 HD3 LYS 21 HD1 LYS 21 7.523 9.445 41.359 161 HE2 LYS 21 HE2 LYS 21 7.844 7.144 39.410 162 HE3 LYS 21 HE1 LYS 21 6.435 8.200 39.499 163 HZ1 LYS 21 HZ1 LYS 21 8.654 8.646 38.002 164 HZ2 LYS 21 HZ2 LYS 21 8.911 9.639 39.356 165 HZ3 LYS 21 HZ3 LYS 21 7.501 9.813 38.426 166 H ARG 22 HN ARG 22 11.525 10.782 43.496 167 HA ARG 22 HA ARG 22 12.384 11.577 40.938 168 HB2 ARG 22 HB2 ARG 22 11.578 13.158 42.651 169 HB3 ARG 22 HB1 ARG 22 13.018 12.836 43.619 170 HG2 ARG 22 HG2 ARG 22 14.457 13.724 41.875 171 HG3 ARG 22 HG1 ARG 22 13.083 13.902 40.781 172 HD2 ARG 22 HD2 ARG 22 13.321 15.318 43.448 173 HD3 ARG 22 HD1 ARG 22 13.764 16.044 41.905 174 HE ARG 22 HE ARG 22 11.144 15.090 41.657 175 HH11 ARG 22 HH11 ARG 22 9.395 16.517 41.912 176 HH12 ARG 22 HH12 ARG 22 9.609 17.992 42.793 177 HH21 ARG 22 HH21 ARG 22 12.955 17.401 43.488 178 HH22 ARG 22 HH22 ARG 22 11.624 18.492 43.687 179 H LEU 23 HN LEU 23 14.220 10.630 43.829 180 HA LEU 23 HA LEU 23 16.794 11.108 42.775 181 HB2 LEU 23 HB2 LEU 23 15.823 9.202 44.911 182 HB3 LEU 23 HB1 LEU 23 17.526 9.461 44.548 183 HG LEU 23 HG LEU 23 15.603 11.684 45.299 184 HD11 LEU 23 HD11 LEU 23 15.846 10.104 47.161 185 HD12 LEU 23 HD12 LEU 23 16.696 11.606 47.522 186 HD13 LEU 23 HD13 LEU 23 17.601 10.180 47.015 187 HD21 LEU 23 HD21 LEU 23 18.556 11.525 44.714 188 HD22 LEU 23 HD22 LEU 23 17.993 12.694 45.907 189 HD23 LEU 23 HD23 LEU 23 17.390 12.766 44.256 190 H ASN 24 HN ASN 24 14.686 8.272 42.693 191 HA ASN 24 HA ASN 24 16.527 6.450 41.585 192 HB2 ASN 24 HB2 ASN 24 14.275 5.897 42.575 193 HB3 ASN 24 HB1 ASN 24 13.547 6.498 41.086 194 HD21 ASN 24 HD21 ASN 24 12.790 4.432 40.326 195 HD22 ASN 24 HD22 ASN 24 13.852 3.188 39.870 196 H GLU 25 HN GLU 25 14.321 8.769 40.083 197 HA GLU 25 HA GLU 25 14.675 7.965 37.406 198 HB2 GLU 25 HB2 GLU 25 13.953 10.632 38.626 199 HB3 GLU 25 HB1 GLU 25 13.958 10.336 36.887 200 HG2 GLU 25 HG2 GLU 25 12.300 8.584 37.121 201 HG3 GLU 25 HG1 GLU 25 12.381 8.684 38.879 202 H GLU 26 HN GLU 26 16.487 10.215 39.445 203 HA GLU 26 HA GLU 26 18.512 11.261 39.156 204 HB2 GLU 26 HB2 GLU 26 18.959 8.962 37.235 205 HB3 GLU 26 HB1 GLU 26 20.215 10.026 37.863 206 HG2 GLU 26 HG2 GLU 26 19.658 9.320 40.165 207 HG3 GLU 26 HG1 GLU 26 18.422 8.237 39.523 208 H ARG 27 HN ARG 27 16.334 12.222 37.615 209 HA ARG 27 HA ARG 27 16.942 12.623 34.893 210 HB2 ARG 27 HB2 ARG 27 14.718 13.045 35.872 211 HB3 ARG 27 HB1 ARG 27 15.375 14.417 36.763 212 HG2 ARG 27 HG2 ARG 27 15.957 15.543 34.669 213 HG3 ARG 27 HG1 ARG 27 15.398 14.149 33.742 214 HD2 ARG 27 HD2 ARG 27 13.122 14.464 34.619 215 HD3 ARG 27 HD1 ARG 27 13.674 15.834 35.579 216 HE ARG 27 HE ARG 27 14.348 16.326 32.895 217 HH11 ARG 27 HH11 ARG 27 13.026 17.693 31.652 218 HH12 ARG 27 HH12 ARG 27 11.386 17.972 32.131 219 HH21 ARG 27 HH21 ARG 27 11.577 15.934 34.930 220 HH22 ARG 27 HH22 ARG 27 10.565 16.975 33.986 221 H HIS 28 HN HIS 28 17.711 14.546 37.780 222 HA HIS 28 HA HIS 28 18.892 16.727 36.446 223 HB2 HIS 28 HB2 HIS 28 19.811 17.332 38.591 224 HB3 HIS 28 HB1 HIS 28 18.189 16.689 38.847 225 HD2 HIS 28 HD2 HIS 28 21.832 15.911 39.891 226 HE1 HIS 28 HE1 HIS 28 19.465 12.663 41.184 227 HE2 HIS 28 HE2 HIS 28 21.764 13.732 41.329 228 H ASP 29 HN ASP 29 20.161 13.566 37.276 229 HA ASP 29 HA ASP 29 22.916 14.166 37.096 230 HB2 ASP 29 HB2 ASP 29 21.381 11.616 36.591 231 HB3 ASP 29 HB1 ASP 29 23.139 11.706 36.531 232 H HIS 30 HN HIS 30 20.520 13.274 34.657 233 HA HIS 30 HA HIS 30 22.300 12.966 32.484 234 HB2 HIS 30 HB2 HIS 30 19.369 13.686 32.630 235 HB3 HIS 30 HB1 HIS 30 20.223 13.456 31.102 236 HD2 HIS 30 HD2 HIS 30 20.648 10.781 30.398 237 HE1 HIS 30 HE1 HIS 30 19.207 9.058 33.973 238 HE2 HIS 30 HE2 HIS 30 20.027 8.560 31.621 239 H ASP 31 HN ASP 31 20.589 15.777 33.787 240 HA ASP 31 HA ASP 31 21.203 17.601 31.734 241 HB2 ASP 31 HB2 ASP 31 19.540 18.026 33.518 242 HB3 ASP 31 HB1 ASP 31 20.852 18.163 34.687 243 H LYS 32 HN LYS 32 22.953 16.753 34.705 244 HA LYS 32 HA LYS 32 25.034 18.649 34.410 245 HB2 LYS 32 HB2 LYS 32 24.921 15.997 35.857 246 HB3 LYS 32 HB1 LYS 32 26.325 17.063 35.912 247 HG2 LYS 32 HG2 LYS 32 24.917 18.882 36.808 248 HG3 LYS 32 HG1 LYS 32 23.510 17.821 36.762 249 HD2 LYS 32 HD2 LYS 32 24.619 16.269 38.323 250 HD3 LYS 32 HD1 LYS 32 26.030 17.327 38.374 251 HE2 LYS 32 HE2 LYS 32 24.638 19.150 39.278 252 HE3 LYS 32 HE1 LYS 32 23.222 18.099 39.224 253 HZ1 LYS 32 HZ1 LYS 32 25.094 18.315 41.261 254 HZ2 LYS 32 HZ2 LYS 32 25.325 16.786 40.560 255 HZ3 LYS 32 HZ3 LYS 32 23.798 17.227 41.159 256 H ARG 33 HN ARG 33 24.651 15.329 33.253 257 HA ARG 33 HA ARG 33 27.257 14.961 32.251 258 HB2 ARG 33 HB2 ARG 33 25.632 13.122 32.513 259 HB3 ARG 33 HB1 ARG 33 24.658 13.806 31.212 260 HG2 ARG 33 HG2 ARG 33 26.467 13.490 29.619 261 HG3 ARG 33 HG1 ARG 33 27.550 12.954 30.903 262 HD2 ARG 33 HD2 ARG 33 26.676 11.009 29.715 263 HD3 ARG 33 HD1 ARG 33 26.030 11.040 31.353 264 HE ARG 33 HE ARG 33 24.269 12.381 29.556 265 HH11 ARG 33 HH11 ARG 33 22.356 11.304 28.972 266 HH12 ARG 33 HH12 ARG 33 22.227 9.593 29.204 267 HH21 ARG 33 HH21 ARG 33 25.415 9.265 30.529 268 HH22 ARG 33 HH22 ARG 33 23.959 8.438 30.085 269 H GLU 34 HN GLU 34 24.326 16.270 30.736 270 HA GLU 34 HA GLU 34 25.385 16.630 28.150 271 HB2 GLU 34 HB2 GLU 34 22.973 16.749 28.660 272 HB3 GLU 34 HB1 GLU 34 23.240 18.234 29.570 273 HG2 GLU 34 HG2 GLU 34 22.443 18.764 27.315 274 HG3 GLU 34 HG1 GLU 34 24.102 19.322 27.505 275 H ALA 35 HN ALA 35 25.312 18.755 30.990 276 HA ALA 35 HA ALA 35 26.415 21.044 29.776 277 HB1 ALA 35 HB1 ALA 35 26.804 20.169 32.644 278 HB2 ALA 35 HB2 ALA 35 25.338 20.946 32.047 279 HB3 ALA 35 HB3 ALA 35 26.874 21.814 32.011 280 H GLU 36 HN GLU 36 27.924 18.233 31.312 281 HA GLU 36 HA GLU 36 30.585 19.168 31.281 282 HB2 GLU 36 HB2 GLU 36 29.840 17.188 32.561 283 HB3 GLU 36 HB1 GLU 36 29.584 16.317 31.049 284 HG2 GLU 36 HG2 GLU 36 31.962 16.534 30.489 285 HG3 GLU 36 HG1 GLU 36 32.237 17.477 31.952 286 H ARG 37 HN ARG 37 28.684 17.364 28.890 287 HA ARG 37 HA ARG 37 30.765 16.935 27.031 288 HB2 ARG 37 HB2 ARG 37 27.775 17.201 26.633 289 HB3 ARG 37 HB1 ARG 37 28.890 16.670 25.380 290 HG2 ARG 37 HG2 ARG 37 28.816 15.280 28.056 291 HG3 ARG 37 HG1 ARG 37 27.658 14.862 26.798 292 HD2 ARG 37 HD2 ARG 37 29.558 14.408 25.246 293 HD3 ARG 37 HD1 ARG 37 30.681 14.729 26.560 294 HE ARG 37 HE ARG 37 30.115 12.678 27.517 295 HH11 ARG 37 HH11 ARG 37 29.147 10.625 27.408 296 HH12 ARG 37 HH12 ARG 37 27.909 10.318 26.237 297 HH21 ARG 37 HH21 ARG 37 27.999 13.520 24.909 298 HH22 ARG 37 HH22 ARG 37 27.258 11.957 24.823 299 H LYS 38 HN LYS 38 28.489 19.598 27.479 300 HA LYS 38 HA LYS 38 29.098 21.037 25.136 301 HB2 LYS 38 HB2 LYS 38 27.162 21.502 26.611 302 HB3 LYS 38 HB1 LYS 38 28.259 22.133 27.835 303 HG2 LYS 38 HG2 LYS 38 29.073 23.826 26.183 304 HG3 LYS 38 HG1 LYS 38 27.881 23.232 25.031 305 HD2 LYS 38 HD2 LYS 38 27.109 24.219 27.783 306 HD3 LYS 38 HD1 LYS 38 27.223 25.302 26.398 307 HE2 LYS 38 HE2 LYS 38 25.606 23.778 25.187 308 HE3 LYS 38 HE1 LYS 38 25.381 22.914 26.706 309 HZ1 LYS 38 HZ1 LYS 38 23.925 25.017 25.975 310 HZ2 LYS 38 HZ2 LYS 38 25.144 25.793 26.869 311 HZ3 LYS 38 HZ3 LYS 38 24.199 24.578 27.591 312 H ALA 39 HN ALA 39 30.523 21.128 28.387 313 HA ALA 39 HA ALA 39 32.311 23.259 27.950 314 HB1 ALA 39 HB1 ALA 39 31.826 22.411 30.190 315 HB2 ALA 39 HB2 ALA 39 33.559 22.328 29.874 316 HB3 ALA 39 HB3 ALA 39 32.574 20.867 29.789 317 H LEU 40 HN LEU 40 32.616 19.775 27.399 318 HA LEU 40 HA LEU 40 35.354 19.727 26.746 319 HB2 LEU 40 HB2 LEU 40 34.066 17.691 27.207 320 HB3 LEU 40 HB1 LEU 40 33.106 17.954 25.754 321 HG LEU 40 HG LEU 40 35.145 17.735 24.366 322 HD11 LEU 40 HD11 LEU 40 36.957 18.447 25.674 323 HD12 LEU 40 HD12 LEU 40 37.166 16.698 25.695 324 HD13 LEU 40 HD13 LEU 40 36.441 17.517 27.081 325 HD21 LEU 40 HD21 LEU 40 33.889 15.719 24.716 326 HD22 LEU 40 HD22 LEU 40 34.558 15.510 26.334 327 HD23 LEU 40 HD23 LEU 40 35.589 15.293 24.919 328 H GLU 41 HN GLU 41 32.467 20.166 24.722 329 HA GLU 41 HA GLU 41 33.807 20.301 22.239 330 HB2 GLU 41 HB2 GLU 41 31.179 21.487 23.157 331 HB3 GLU 41 HB1 GLU 41 31.734 21.506 21.482 332 HG2 GLU 41 HG2 GLU 41 31.462 18.975 23.124 333 HG3 GLU 41 HG1 GLU 41 30.202 19.578 22.050 334 H ASP 42 HN ASP 42 32.983 22.770 24.635 335 HA ASP 42 HA ASP 42 33.625 24.967 24.860 336 HB2 ASP 42 HB2 ASP 42 35.851 23.708 24.866 337 HB3 ASP 42 HB1 ASP 42 36.024 24.218 23.188 338 H LYS 43 HN LYS 43 31.860 24.416 22.680 339 HA LYS 43 HA LYS 43 32.671 25.533 20.230 340 HB2 LYS 43 HB2 LYS 43 30.608 24.209 20.511 341 HB3 LYS 43 HB1 LYS 43 29.910 25.510 21.475 342 HG2 LYS 43 HG2 LYS 43 30.070 27.044 19.560 343 HG3 LYS 43 HG1 LYS 43 30.824 25.776 18.594 344 HD2 LYS 43 HD2 LYS 43 28.793 24.386 18.847 345 HD3 LYS 43 HD1 LYS 43 28.038 25.673 19.787 346 HE2 LYS 43 HE2 LYS 43 29.020 25.965 16.933 347 HE3 LYS 43 HE1 LYS 43 27.337 25.722 17.400 348 HZ1 LYS 43 HZ1 LYS 43 27.421 27.984 17.297 349 HZ2 LYS 43 HZ2 LYS 43 29.051 28.070 17.769 350 HZ3 LYS 43 HZ3 LYS 43 27.844 27.765 18.925 351 H LEU 44 HN LEU 44 31.167 27.009 23.089 352 HA LEU 44 HA LEU 44 30.866 29.606 22.027 353 HB2 LEU 44 HB2 LEU 44 31.217 28.629 24.867 354 HB3 LEU 44 HB1 LEU 44 30.846 30.302 24.456 355 HG LEU 44 HG LEU 44 29.159 27.933 23.590 356 HD11 LEU 44 HD11 LEU 44 28.667 29.885 25.858 357 HD12 LEU 44 HD12 LEU 44 29.221 28.224 26.068 358 HD13 LEU 44 HD13 LEU 44 27.627 28.542 25.387 359 HD21 LEU 44 HD21 LEU 44 27.466 29.987 23.455 360 HD22 LEU 44 HD22 LEU 44 28.568 29.655 22.126 361 HD23 LEU 44 HD23 LEU 44 28.949 30.926 23.287 362 H ALA 45 HN ALA 45 33.542 28.036 23.724 363 HA ALA 45 HA ALA 45 35.734 28.660 24.041 364 HB1 ALA 45 HB1 ALA 45 35.344 30.432 21.627 365 HB2 ALA 45 HB2 ALA 45 35.534 28.682 21.506 366 HB3 ALA 45 HB3 ALA 45 36.832 29.665 22.183 367 H ASP 46 HN ASP 46 33.592 30.246 25.311 368 HA ASP 46 HA ASP 46 34.581 32.990 25.309 369 HB2 ASP 46 HB2 ASP 46 32.741 33.436 26.829 370 HB3 ASP 46 HB1 ASP 46 32.150 32.488 25.466 371 H LYS 47 HN LYS 47 35.730 30.252 26.606 372 HA LYS 47 HA LYS 47 36.102 30.820 29.343 373 HB2 LYS 47 HB2 LYS 47 37.728 29.183 27.388 374 HB3 LYS 47 HB1 LYS 47 38.078 29.246 29.113 375 HG2 LYS 47 HG2 LYS 47 35.295 28.561 28.174 376 HG3 LYS 47 HG1 LYS 47 36.545 27.323 28.181 377 HD2 LYS 47 HD2 LYS 47 36.966 27.810 30.594 378 HD3 LYS 47 HD1 LYS 47 35.622 28.949 30.572 379 HE2 LYS 47 HE2 LYS 47 34.856 26.783 31.414 380 HE3 LYS 47 HE1 LYS 47 34.105 27.120 29.854 381 HZ1 LYS 47 HZ1 LYS 47 35.035 24.831 30.116 382 HZ2 LYS 47 HZ2 LYS 47 36.585 25.524 30.153 383 HZ3 LYS 47 HZ3 LYS 47 35.614 25.682 28.768 384 H GLN 48 HN GLN 48 37.982 31.672 26.472 385 HA GLN 48 HA GLN 48 40.150 32.851 27.907 386 HB2 GLN 48 HB2 GLN 48 40.298 32.046 25.546 387 HB3 GLN 48 HB1 GLN 48 39.260 33.384 25.061 388 HG2 GLN 48 HG2 GLN 48 41.599 33.991 24.697 389 HG3 GLN 48 HG1 GLN 48 40.927 34.983 25.989 390 HE21 GLN 48 HE21 GLN 48 42.438 35.210 27.637 391 HE22 GLN 48 HE22 GLN 48 43.488 33.989 28.172 392 H GLU 49 HN GLU 49 40.360 34.838 28.746 393 HA GLU 49 HA GLU 49 38.481 36.973 27.955 394 HB2 GLU 49 HB2 GLU 49 37.555 35.882 29.980 395 HB3 GLU 49 HB1 GLU 49 39.069 36.202 30.826 396 HG2 GLU 49 HG2 GLU 49 38.761 38.615 30.523 397 HG3 GLU 49 HG1 GLU 49 37.284 38.327 29.604 398 H HIS 50 HN HIS 50 39.443 38.907 27.755 399 HA HIS 50 HA HIS 50 41.862 39.568 29.221 400 HB2 HIS 50 HB2 HIS 50 43.222 39.969 27.224 401 HB3 HIS 50 HB1 HIS 50 42.745 38.273 27.312 402 HD2 HIS 50 HD2 HIS 50 42.398 41.257 24.895 403 HE1 HIS 50 HE1 HIS 50 39.781 38.256 23.494 404 HE2 HIS 50 HE2 HIS 50 40.862 40.483 22.931 405 H LEU 51 HN LEU 51 42.544 41.802 28.831 406 HA LEU 51 HA LEU 51 41.892 44.026 28.979 407 HB2 LEU 51 HB2 LEU 51 40.941 43.365 26.181 408 HB3 LEU 51 HB1 LEU 51 41.364 44.964 26.790 409 HG LEU 51 HG LEU 51 43.264 42.606 26.601 410 HD11 LEU 51 HD11 LEU 51 42.570 43.605 24.409 411 HD12 LEU 51 HD12 LEU 51 44.286 43.819 24.757 412 HD13 LEU 51 HD13 LEU 51 43.167 45.165 24.975 413 HD21 LEU 51 HD21 LEU 51 44.921 44.627 26.964 414 HD22 LEU 51 HD22 LEU 51 44.118 43.910 28.357 415 HD23 LEU 51 HD23 LEU 51 43.509 45.416 27.670 416 H ASP 52 HN ASP 52 39.599 44.885 27.077 417 HA ASP 52 HA ASP 52 37.253 43.858 28.483 418 HB2 ASP 52 HB2 ASP 52 38.178 45.740 29.885 419 HB3 ASP 52 HB1 ASP 52 37.874 46.817 28.523 420 H GLY 53 HN GLY 53 38.227 43.790 25.735 421 HA2 GLY 53 HA2 GLY 53 37.113 43.820 23.692 422 HA3 GLY 53 HA1 GLY 53 35.833 44.776 24.431 423 H ALA 54 HN ALA 54 38.698 46.193 25.266 424 HA ALA 54 HA ALA 54 38.277 48.519 23.735 425 HB1 ALA 54 HB1 ALA 54 39.504 48.664 25.797 426 HB2 ALA 54 HB2 ALA 54 40.599 49.129 24.495 427 HB3 ALA 54 HB3 ALA 54 40.719 47.525 25.217 428 H LEU 55 HN LEU 55 40.428 45.746 23.262 429 HA LEU 55 HA LEU 55 41.886 46.759 21.080 430 HB2 LEU 55 HB2 LEU 55 42.571 44.753 22.317 431 HB3 LEU 55 HB1 LEU 55 41.146 43.896 21.739 432 HG LEU 55 HG LEU 55 41.942 44.137 19.407 433 HD11 LEU 55 HD11 LEU 55 43.223 46.099 19.309 434 HD12 LEU 55 HD12 LEU 55 44.470 44.856 19.272 435 HD13 LEU 55 HD13 LEU 55 44.121 45.710 20.777 436 HD21 LEU 55 HD21 LEU 55 43.736 42.524 19.558 437 HD22 LEU 55 HD22 LEU 55 42.610 42.193 20.873 438 HD23 LEU 55 HD23 LEU 55 44.123 43.034 21.201 439 H ARG 56 HN ARG 56 38.878 44.876 21.216 440 HA ARG 56 HA ARG 56 38.548 44.722 18.383 441 HB2 ARG 56 HB2 ARG 56 36.587 44.371 20.660 442 HB3 ARG 56 HB1 ARG 56 36.209 44.044 18.969 443 HG2 ARG 56 HG2 ARG 56 37.967 42.360 18.855 444 HG3 ARG 56 HG1 ARG 56 38.478 42.740 20.501 445 HD2 ARG 56 HD2 ARG 56 37.076 40.746 20.537 446 HD3 ARG 56 HD1 ARG 56 36.226 42.072 21.323 447 HE ARG 56 HE ARG 56 35.562 41.960 18.553 448 HH11 ARG 56 HH11 ARG 56 33.508 41.156 18.005 449 HH12 ARG 56 HH12 ARG 56 32.619 40.211 19.153 450 HH21 ARG 56 HH21 ARG 56 35.068 40.398 21.602 451 HH22 ARG 56 HH22 ARG 56 33.502 39.783 21.189 452 H TYR 57 HN TYR 57 37.285 45.951 17.016 453 HA TYR 57 HA TYR 57 37.059 48.712 17.560 454 HB2 TYR 57 HB2 TYR 57 35.801 48.812 15.438 455 HB3 TYR 57 HB1 TYR 57 37.262 47.839 15.280 456 HD1 TYR 57 HD1 TYR 57 33.584 47.766 15.472 457 HD2 TYR 57 HD2 TYR 57 37.150 45.413 15.042 458 HE1 TYR 57 HE1 TYR 57 32.215 45.826 14.756 459 HE2 TYR 57 HE2 TYR 57 35.783 43.472 14.326 460 HH TYR 57 HH TYR 57 32.231 43.720 14.075 Start of MODEL 2 1 H1 GLY 1 HT1 GLY 1 45.616 -8.815 37.377 2 H2 GLY 1 HT2 GLY 1 44.872 -8.281 38.810 3 H3 GLY 1 HT3 GLY 1 45.463 -7.154 37.685 4 HA2 GLY 1 HA2 GLY 1 43.353 -9.095 36.966 5 HA3 GLY 1 HA1 GLY 1 42.969 -7.544 37.713 6 H SER 2 HN SER 2 44.079 -9.150 34.846 7 HA SER 2 HA SER 2 44.965 -6.910 33.367 8 HB2 SER 2 HB2 SER 2 45.469 -9.177 32.641 9 HB3 SER 2 HB1 SER 2 43.755 -9.523 32.432 10 HG SER 2 HG SER 2 45.122 -7.427 31.097 11 H ALA 3 HN ALA 3 43.920 -5.456 32.098 12 HA ALA 3 HA ALA 3 42.192 -4.084 31.451 13 HB1 ALA 3 HB1 ALA 3 41.836 -5.682 29.737 14 HB2 ALA 3 HB2 ALA 3 40.240 -5.367 30.417 15 HB3 ALA 3 HB3 ALA 3 41.112 -6.836 30.856 16 H GLY 4 HN GLY 4 42.206 -5.313 34.296 17 HA2 GLY 4 HA2 GLY 4 40.965 -4.902 36.197 18 HA3 GLY 4 HA1 GLY 4 39.860 -3.959 35.204 19 H LEU 5 HN LEU 5 40.547 -7.235 34.296 20 HA LEU 5 HA LEU 5 37.823 -7.999 34.349 21 HB2 LEU 5 HB2 LEU 5 40.363 -9.624 34.168 22 HB3 LEU 5 HB1 LEU 5 38.761 -10.343 34.065 23 HG LEU 5 HG LEU 5 39.714 -8.105 32.247 24 HD11 LEU 5 HD11 LEU 5 41.110 -10.033 31.834 25 HD12 LEU 5 HD12 LEU 5 39.916 -9.944 30.539 26 HD13 LEU 5 HD13 LEU 5 39.713 -11.108 31.848 27 HD21 LEU 5 HD21 LEU 5 37.382 -8.077 32.092 28 HD22 LEU 5 HD22 LEU 5 37.228 -9.801 32.428 29 HD23 LEU 5 HD23 LEU 5 37.773 -9.255 30.844 30 H GLN 6 HN GLN 6 40.481 -8.517 36.621 31 HA GLN 6 HA GLN 6 39.134 -10.286 38.357 32 HB2 GLN 6 HB2 GLN 6 41.605 -9.797 38.364 33 HB3 GLN 6 HB1 GLN 6 41.240 -8.253 39.131 34 HG2 GLN 6 HG2 GLN 6 40.242 -10.856 40.302 35 HG3 GLN 6 HG1 GLN 6 41.852 -10.245 40.668 36 HE21 GLN 6 HE21 GLN 6 39.488 -10.492 42.507 37 HE22 GLN 6 HE22 GLN 6 39.217 -8.924 43.101 38 H GLU 7 HN GLU 7 39.301 -6.760 38.221 39 HA GLU 7 HA GLU 7 37.970 -6.208 40.644 40 HB2 GLU 7 HB2 GLU 7 39.222 -4.520 39.325 41 HB3 GLU 7 HB1 GLU 7 37.963 -4.577 38.091 42 HG2 GLU 7 HG2 GLU 7 36.295 -3.832 39.731 43 HG3 GLU 7 HG1 GLU 7 37.522 -3.824 40.994 44 H LYS 8 HN LYS 8 36.785 -6.783 37.366 45 HA LYS 8 HA LYS 8 34.072 -6.166 37.782 46 HB2 LYS 8 HB2 LYS 8 35.072 -6.509 35.550 47 HB3 LYS 8 HB1 LYS 8 35.275 -8.222 35.911 48 HG2 LYS 8 HG2 LYS 8 32.843 -8.480 36.166 49 HG3 LYS 8 HG1 LYS 8 32.619 -6.756 35.861 50 HD2 LYS 8 HD2 LYS 8 33.567 -7.006 33.614 51 HD3 LYS 8 HD1 LYS 8 33.866 -8.718 33.914 52 HE2 LYS 8 HE2 LYS 8 31.790 -8.446 32.637 53 HE3 LYS 8 HE1 LYS 8 31.430 -9.067 34.248 54 HZ1 LYS 8 HZ1 LYS 8 30.568 -7.070 34.927 55 HZ2 LYS 8 HZ2 LYS 8 30.098 -7.073 33.294 56 HZ3 LYS 8 HZ3 LYS 8 31.444 -6.165 33.792 57 H GLU 9 HN GLU 9 35.914 -9.129 38.284 58 HA GLU 9 HA GLU 9 33.757 -10.849 38.853 59 HB2 GLU 9 HB2 GLU 9 36.653 -10.908 39.700 60 HB3 GLU 9 HB1 GLU 9 35.512 -12.184 40.120 61 HG2 GLU 9 HG2 GLU 9 35.088 -12.667 37.792 62 HG3 GLU 9 HG1 GLU 9 36.028 -11.271 37.274 63 H ARG 10 HN ARG 10 35.600 -8.640 40.913 64 HA ARG 10 HA ARG 10 34.686 -9.521 43.408 65 HB2 ARG 10 HB2 ARG 10 35.446 -6.748 42.473 66 HB3 ARG 10 HB1 ARG 10 35.141 -7.167 44.158 67 HG2 ARG 10 HG2 ARG 10 36.936 -8.832 44.099 68 HG3 ARG 10 HG1 ARG 10 37.217 -8.494 42.391 69 HD2 ARG 10 HD2 ARG 10 38.852 -7.274 43.733 70 HD3 ARG 10 HD1 ARG 10 37.748 -6.134 42.973 71 HE ARG 10 HE ARG 10 36.815 -6.864 45.568 72 HH11 ARG 10 HH11 ARG 10 37.030 -5.322 47.220 73 HH12 ARG 10 HH12 ARG 10 38.129 -3.998 47.026 74 HH21 ARG 10 HH21 ARG 10 39.182 -4.991 43.875 75 HH22 ARG 10 HH22 ARG 10 39.348 -3.811 45.132 76 H GLU 11 HN GLU 11 32.912 -9.158 44.607 77 HA GLU 11 HA GLU 11 30.461 -8.519 43.335 78 HB2 GLU 11 HB2 GLU 11 31.209 -8.869 46.238 79 HB3 GLU 11 HB1 GLU 11 29.560 -8.541 45.708 80 HG2 GLU 11 HG2 GLU 11 29.511 -10.564 44.384 81 HG3 GLU 11 HG1 GLU 11 31.222 -10.856 44.674 82 H LEU 12 HN LEU 12 32.657 -6.663 45.372 83 HA LEU 12 HA LEU 12 30.990 -4.479 45.923 84 HB2 LEU 12 HB2 LEU 12 33.984 -4.732 45.672 85 HB3 LEU 12 HB1 LEU 12 33.207 -3.214 46.118 86 HG LEU 12 HG LEU 12 32.078 -4.383 48.008 87 HD11 LEU 12 HD11 LEU 12 33.226 -6.652 48.605 88 HD12 LEU 12 HD12 LEU 12 33.643 -6.709 46.893 89 HD13 LEU 12 HD13 LEU 12 31.952 -6.649 47.388 90 HD21 LEU 12 HD21 LEU 12 34.127 -4.629 49.393 91 HD22 LEU 12 HD22 LEU 12 34.191 -3.186 48.381 92 HD23 LEU 12 HD23 LEU 12 35.104 -4.624 47.923 93 H GLU 13 HN GLU 13 33.081 -5.131 43.131 94 HA GLU 13 HA GLU 13 32.848 -2.600 41.912 95 HB2 GLU 13 HB2 GLU 13 34.498 -4.294 41.202 96 HB3 GLU 13 HB1 GLU 13 33.191 -5.309 40.595 97 HG2 GLU 13 HG2 GLU 13 34.189 -4.043 38.750 98 HG3 GLU 13 HG1 GLU 13 32.541 -3.494 39.017 99 H ASP 14 HN ASP 14 30.858 -5.528 41.662 100 HA ASP 14 HA ASP 14 29.116 -4.622 39.644 101 HB2 ASP 14 HB2 ASP 14 28.744 -6.606 41.889 102 HB3 ASP 14 HB1 ASP 14 27.517 -6.313 40.658 103 H LEU 15 HN LEU 15 29.006 -4.274 43.169 104 HA LEU 15 HA LEU 15 26.434 -3.109 43.325 105 HB2 LEU 15 HB2 LEU 15 28.851 -2.874 45.126 106 HB3 LEU 15 HB1 LEU 15 27.275 -2.198 45.525 107 HG LEU 15 HG LEU 15 27.753 -5.123 44.880 108 HD11 LEU 15 HD11 LEU 15 27.678 -5.551 47.255 109 HD12 LEU 15 HD12 LEU 15 27.318 -3.859 47.599 110 HD13 LEU 15 HD13 LEU 15 28.903 -4.314 46.975 111 HD21 LEU 15 HD21 LEU 15 25.467 -4.819 44.524 112 HD22 LEU 15 HD22 LEU 15 25.352 -3.486 45.673 113 HD23 LEU 15 HD23 LEU 15 25.463 -5.146 46.254 114 H LYS 16 HN LYS 16 29.652 -1.735 42.855 115 HA LYS 16 HA LYS 16 28.969 0.985 43.087 116 HB2 LYS 16 HB2 LYS 16 31.294 0.160 43.057 117 HB3 LYS 16 HB1 LYS 16 31.111 -0.286 41.362 118 HG2 LYS 16 HG2 LYS 16 30.682 2.065 40.770 119 HG3 LYS 16 HG1 LYS 16 30.820 2.525 42.469 120 HD2 LYS 16 HD2 LYS 16 33.149 1.715 42.501 121 HD3 LYS 16 HD1 LYS 16 33.013 1.250 40.805 122 HE2 LYS 16 HE2 LYS 16 32.571 3.594 40.189 123 HE3 LYS 16 HE1 LYS 16 32.693 4.066 41.885 124 HZ1 LYS 16 HZ1 LYS 16 34.979 2.744 41.568 125 HZ2 LYS 16 HZ2 LYS 16 34.826 4.419 41.326 126 HZ3 LYS 16 HZ3 LYS 16 34.784 3.358 39.999 127 H ASP 17 HN ASP 17 28.997 -1.194 40.284 128 HA ASP 17 HA ASP 17 28.339 0.717 38.323 129 HB2 ASP 17 HB2 ASP 17 27.850 -2.259 38.487 130 HB3 ASP 17 HB1 ASP 17 27.448 -1.300 37.064 131 H ALA 18 HN ALA 18 26.320 -1.262 40.450 132 HA ALA 18 HA ALA 18 23.823 -0.649 39.301 133 HB1 ALA 18 HB1 ALA 18 22.892 -1.296 41.512 134 HB2 ALA 18 HB2 ALA 18 24.529 -1.307 42.171 135 HB3 ALA 18 HB3 ALA 18 24.077 -2.458 40.914 136 H GLU 19 HN GLU 19 25.742 0.999 41.780 137 HA GLU 19 HA GLU 19 23.811 2.915 42.529 138 HB2 GLU 19 HB2 GLU 19 26.831 2.966 42.592 139 HB3 GLU 19 HB1 GLU 19 25.829 4.251 43.269 140 HG2 GLU 19 HG2 GLU 19 24.770 2.697 44.799 141 HG3 GLU 19 HG1 GLU 19 25.587 1.331 44.043 142 H LEU 20 HN LEU 20 26.265 2.900 39.979 143 HA LEU 20 HA LEU 20 25.948 5.582 39.151 144 HB2 LEU 20 HB2 LEU 20 26.849 3.116 37.652 145 HB3 LEU 20 HB1 LEU 20 26.910 4.740 36.972 146 HG LEU 20 HG LEU 20 28.251 3.938 39.574 147 HD11 LEU 20 HD11 LEU 20 29.165 2.767 37.542 148 HD12 LEU 20 HD12 LEU 20 30.328 3.825 38.338 149 HD13 LEU 20 HD13 LEU 20 29.530 4.350 36.857 150 HD21 LEU 20 HD21 LEU 20 28.078 6.262 39.698 151 HD22 LEU 20 HD22 LEU 20 28.103 6.471 37.948 152 HD23 LEU 20 HD23 LEU 20 29.594 6.117 38.816 153 H LYS 21 HN LYS 21 24.293 2.600 38.234 154 HA LYS 21 HA LYS 21 22.811 3.608 36.067 155 HB2 LYS 21 HB2 LYS 21 23.004 1.205 36.585 156 HB3 LYS 21 HB1 LYS 21 22.038 1.444 38.040 157 HG2 LYS 21 HG2 LYS 21 20.136 2.202 36.678 158 HG3 LYS 21 HG1 LYS 21 21.101 2.026 35.213 159 HD2 LYS 21 HD2 LYS 21 21.328 -0.381 35.625 160 HD3 LYS 21 HD1 LYS 21 20.420 -0.224 37.130 161 HE2 LYS 21 HE2 LYS 21 18.940 -1.015 35.342 162 HE3 LYS 21 HE1 LYS 21 18.467 0.609 35.843 163 HZ1 LYS 21 HZ1 LYS 21 19.757 1.494 33.980 164 HZ2 LYS 21 HZ2 LYS 21 18.520 0.456 33.452 165 HZ3 LYS 21 HZ3 LYS 21 20.130 -0.084 33.482 166 H ARG 22 HN ARG 22 22.077 3.494 39.541 167 HA ARG 22 HA ARG 22 19.460 4.515 39.405 168 HB2 ARG 22 HB2 ARG 22 20.429 3.480 41.430 169 HB3 ARG 22 HB1 ARG 22 21.496 4.871 41.619 170 HG2 ARG 22 HG2 ARG 22 19.562 6.357 41.866 171 HG3 ARG 22 HG1 ARG 22 18.465 5.002 41.598 172 HD2 ARG 22 HD2 ARG 22 19.355 3.886 43.610 173 HD3 ARG 22 HD1 ARG 22 20.445 5.241 43.881 174 HE ARG 22 HE ARG 22 17.587 5.184 44.400 175 HH11 ARG 22 HH11 ARG 22 16.766 7.028 45.442 176 HH12 ARG 22 HH12 ARG 22 17.735 8.461 45.546 177 HH21 ARG 22 HH21 ARG 22 20.429 7.081 43.855 178 HH22 ARG 22 HH22 ARG 22 19.809 8.490 44.648 179 H LEU 23 HN LEU 23 22.591 6.154 39.724 180 HA LEU 23 HA LEU 23 21.533 8.782 39.951 181 HB2 LEU 23 HB2 LEU 23 24.211 7.567 39.450 182 HB3 LEU 23 HB1 LEU 23 24.009 9.233 38.914 183 HG LEU 23 HG LEU 23 23.214 9.840 41.192 184 HD11 LEU 23 HD11 LEU 23 23.557 8.218 43.031 185 HD12 LEU 23 HD12 LEU 23 23.983 6.981 41.851 186 HD13 LEU 23 HD13 LEU 23 22.349 7.646 41.882 187 HD21 LEU 23 HD21 LEU 23 25.617 10.020 40.525 188 HD22 LEU 23 HD22 LEU 23 25.890 8.415 41.204 189 HD23 LEU 23 HD23 LEU 23 25.405 9.746 42.253 190 H ASN 24 HN ASN 24 22.505 6.785 37.217 191 HA ASN 24 HA ASN 24 22.377 8.731 35.194 192 HB2 ASN 24 HB2 ASN 24 23.300 6.394 34.981 193 HB3 ASN 24 HB1 ASN 24 21.638 5.817 34.894 194 HD21 ASN 24 HD21 ASN 24 21.720 5.156 32.662 195 HD22 ASN 24 HD22 ASN 24 21.903 6.268 31.394 196 H GLU 25 HN GLU 25 19.871 6.684 36.622 197 HA GLU 25 HA GLU 25 17.793 7.300 34.824 198 HB2 GLU 25 HB2 GLU 25 17.734 6.503 37.741 199 HB3 GLU 25 HB1 GLU 25 16.292 6.640 36.736 200 HG2 GLU 25 HG2 GLU 25 18.664 4.901 36.018 201 HG3 GLU 25 HG1 GLU 25 17.251 4.304 36.884 202 H GLU 26 HN GLU 26 18.933 8.929 37.751 203 HA GLU 26 HA GLU 26 16.850 10.744 38.122 204 HB2 GLU 26 HB2 GLU 26 18.751 10.428 39.689 205 HB3 GLU 26 HB1 GLU 26 19.804 11.259 38.545 206 HG2 GLU 26 HG2 GLU 26 18.418 13.278 38.702 207 HG3 GLU 26 HG1 GLU 26 17.316 12.452 39.801 208 H ARG 27 HN ARG 27 16.176 12.522 37.098 209 HA ARG 27 HA ARG 27 17.026 13.133 34.481 210 HB2 ARG 27 HB2 ARG 27 15.337 14.671 36.457 211 HB3 ARG 27 HB1 ARG 27 15.591 15.187 34.789 212 HG2 ARG 27 HG2 ARG 27 14.601 13.149 33.939 213 HG3 ARG 27 HG1 ARG 27 14.508 12.464 35.562 214 HD2 ARG 27 HD2 ARG 27 13.082 14.996 34.707 215 HD3 ARG 27 HD1 ARG 27 12.328 13.404 34.737 216 HE ARG 27 HE ARG 27 13.446 13.845 37.266 217 HH11 ARG 27 HH11 ARG 27 12.130 14.578 38.967 218 HH12 ARG 27 HH12 ARG 27 10.642 15.393 38.615 219 HH21 ARG 27 HH21 ARG 27 11.022 15.161 35.176 220 HH22 ARG 27 HH22 ARG 27 10.014 15.723 36.469 221 H HIS 28 HN HIS 28 17.781 14.611 37.608 222 HA HIS 28 HA HIS 28 19.115 16.899 36.642 223 HB2 HIS 28 HB2 HIS 28 19.446 15.323 39.201 224 HB3 HIS 28 HB1 HIS 28 20.273 16.846 38.887 225 HD2 HIS 28 HD2 HIS 28 16.985 17.496 37.319 226 HE1 HIS 28 HE1 HIS 28 16.295 18.331 41.397 227 HE2 HIS 28 HE2 HIS 28 15.378 18.607 39.046 228 H ASP 29 HN ASP 29 20.263 13.617 37.304 229 HA ASP 29 HA ASP 29 23.018 14.091 36.979 230 HB2 ASP 29 HB2 ASP 29 22.060 11.998 37.898 231 HB3 ASP 29 HB1 ASP 29 21.468 11.587 36.287 232 H HIS 30 HN HIS 30 20.503 13.230 34.626 233 HA HIS 30 HA HIS 30 22.169 12.919 32.385 234 HB2 HIS 30 HB2 HIS 30 19.840 12.195 32.367 235 HB3 HIS 30 HB1 HIS 30 19.295 13.863 32.531 236 HD2 HIS 30 HD2 HIS 30 18.950 15.147 30.104 237 HE1 HIS 30 HE1 HIS 30 21.163 12.469 27.705 238 HE2 HIS 30 HE2 HIS 30 19.691 14.538 27.675 239 H ASP 31 HN ASP 31 20.459 15.791 33.614 240 HA ASP 31 HA ASP 31 21.240 17.564 31.572 241 HB2 ASP 31 HB2 ASP 31 19.462 18.046 33.227 242 HB3 ASP 31 HB1 ASP 31 20.692 18.195 34.482 243 H LYS 32 HN LYS 32 22.768 16.737 34.667 244 HA LYS 32 HA LYS 32 24.868 18.604 34.567 245 HB2 LYS 32 HB2 LYS 32 24.303 17.325 36.591 246 HB3 LYS 32 HB1 LYS 32 24.846 15.844 35.801 247 HG2 LYS 32 HG2 LYS 32 27.109 16.638 35.675 248 HG3 LYS 32 HG1 LYS 32 26.630 18.262 36.160 249 HD2 LYS 32 HD2 LYS 32 27.590 17.229 38.100 250 HD3 LYS 32 HD1 LYS 32 25.847 17.258 38.358 251 HE2 LYS 32 HE2 LYS 32 25.651 14.925 37.737 252 HE3 LYS 32 HE1 LYS 32 27.343 14.870 37.242 253 HZ1 LYS 32 HZ1 LYS 32 26.180 14.898 39.920 254 HZ2 LYS 32 HZ2 LYS 32 27.656 15.709 39.705 255 HZ3 LYS 32 HZ3 LYS 32 27.529 14.055 39.334 256 H ARG 33 HN ARG 33 24.652 15.271 33.357 257 HA ARG 33 HA ARG 33 27.321 15.088 32.431 258 HB2 ARG 33 HB2 ARG 33 24.800 13.640 31.607 259 HB3 ARG 33 HB1 ARG 33 26.385 13.265 30.932 260 HG2 ARG 33 HG2 ARG 33 27.247 12.796 33.194 261 HG3 ARG 33 HG1 ARG 33 25.671 13.179 33.884 262 HD2 ARG 33 HD2 ARG 33 24.651 11.356 32.568 263 HD3 ARG 33 HD1 ARG 33 26.231 10.964 31.892 264 HE ARG 33 HE ARG 33 25.286 10.345 34.570 265 HH11 ARG 33 HH11 ARG 33 26.692 9.064 35.810 266 HH12 ARG 33 HH12 ARG 33 28.326 8.826 35.289 267 HH21 ARG 33 HH21 ARG 33 27.977 10.771 32.438 268 HH22 ARG 33 HH22 ARG 33 29.055 9.793 33.379 269 H GLU 34 HN GLU 34 24.337 16.214 30.908 270 HA GLU 34 HA GLU 34 25.329 16.516 28.288 271 HB2 GLU 34 HB2 GLU 34 22.928 16.597 28.853 272 HB3 GLU 34 HB1 GLU 34 23.182 18.117 29.708 273 HG2 GLU 34 HG2 GLU 34 22.322 18.557 27.458 274 HG3 GLU 34 HG1 GLU 34 23.971 19.155 27.589 275 H ALA 35 HN ALA 35 25.269 18.728 31.059 276 HA ALA 35 HA ALA 35 26.298 21.001 29.754 277 HB1 ALA 35 HB1 ALA 35 26.955 21.739 32.037 278 HB2 ALA 35 HB2 ALA 35 26.553 20.132 32.643 279 HB3 ALA 35 HB3 ALA 35 25.292 21.158 31.963 280 H GLU 36 HN GLU 36 27.886 18.265 31.327 281 HA GLU 36 HA GLU 36 30.526 19.238 31.262 282 HB2 GLU 36 HB2 GLU 36 29.820 17.257 32.561 283 HB3 GLU 36 HB1 GLU 36 29.577 16.371 31.057 284 HG2 GLU 36 HG2 GLU 36 31.947 16.627 30.490 285 HG3 GLU 36 HG1 GLU 36 32.210 17.586 31.945 286 H ARG 37 HN ARG 37 28.629 17.434 28.874 287 HA ARG 37 HA ARG 37 30.703 16.955 27.030 288 HB2 ARG 37 HB2 ARG 37 27.720 17.263 26.658 289 HB3 ARG 37 HB1 ARG 37 28.814 16.788 25.358 290 HG2 ARG 37 HG2 ARG 37 29.569 14.856 26.686 291 HG3 ARG 37 HG1 ARG 37 28.491 15.332 28.001 292 HD2 ARG 37 HD2 ARG 37 26.547 15.071 26.509 293 HD3 ARG 37 HD1 ARG 37 27.617 14.603 25.191 294 HE ARG 37 HE ARG 37 28.105 12.899 27.381 295 HH11 ARG 37 HH11 ARG 37 27.191 10.819 27.377 296 HH12 ARG 37 HH12 ARG 37 25.820 10.483 26.371 297 HH21 ARG 37 HH21 ARG 37 25.650 13.695 25.076 298 HH22 ARG 37 HH22 ARG 37 24.948 12.111 25.069 299 H LYS 38 HN LYS 38 28.507 19.709 27.434 300 HA LYS 38 HA LYS 38 29.223 21.093 25.081 301 HB2 LYS 38 HB2 LYS 38 28.177 22.066 27.744 302 HB3 LYS 38 HB1 LYS 38 28.407 23.122 26.350 303 HG2 LYS 38 HG2 LYS 38 26.898 21.696 25.016 304 HG3 LYS 38 HG1 LYS 38 26.662 20.641 26.411 305 HD2 LYS 38 HD2 LYS 38 25.717 22.526 27.687 306 HD3 LYS 38 HD1 LYS 38 25.960 23.590 26.301 307 HE2 LYS 38 HE2 LYS 38 24.449 22.188 24.950 308 HE3 LYS 38 HE1 LYS 38 24.209 21.114 26.329 309 HZ1 LYS 38 HZ1 LYS 38 23.246 22.914 27.565 310 HZ2 LYS 38 HZ2 LYS 38 22.430 22.770 26.082 311 HZ3 LYS 38 HZ3 LYS 38 23.565 24.012 26.314 312 H ALA 39 HN ALA 39 30.600 21.093 28.341 313 HA ALA 39 HA ALA 39 32.417 23.221 27.995 314 HB1 ALA 39 HB1 ALA 39 32.011 22.431 30.211 315 HB2 ALA 39 HB2 ALA 39 33.696 22.053 29.851 316 HB3 ALA 39 HB3 ALA 39 32.473 20.783 29.780 317 H LEU 40 HN LEU 40 32.678 19.759 27.321 318 HA LEU 40 HA LEU 40 35.417 19.690 26.688 319 HB2 LEU 40 HB2 LEU 40 34.093 17.661 27.075 320 HB3 LEU 40 HB1 LEU 40 33.151 17.986 25.622 321 HG LEU 40 HG LEU 40 35.198 17.779 24.244 322 HD11 LEU 40 HD11 LEU 40 36.465 17.451 26.961 323 HD12 LEU 40 HD12 LEU 40 37.009 18.417 25.588 324 HD13 LEU 40 HD13 LEU 40 37.189 16.667 25.556 325 HD21 LEU 40 HD21 LEU 40 34.952 15.398 26.099 326 HD22 LEU 40 HD22 LEU 40 35.372 15.393 24.387 327 HD23 LEU 40 HD23 LEU 40 33.731 15.796 24.890 328 H GLU 41 HN GLU 41 32.555 20.265 24.665 329 HA GLU 41 HA GLU 41 34.046 20.514 22.245 330 HB2 GLU 41 HB2 GLU 41 31.228 21.332 22.991 331 HB3 GLU 41 HB1 GLU 41 31.886 21.486 21.362 332 HG2 GLU 41 HG2 GLU 41 32.311 19.084 21.267 333 HG3 GLU 41 HG1 GLU 41 31.761 18.898 22.932 334 H ASP 42 HN ASP 42 34.042 22.662 20.931 335 HA ASP 42 HA ASP 42 34.785 24.822 20.758 336 HB2 ASP 42 HB2 ASP 42 32.853 25.074 23.070 337 HB3 ASP 42 HB1 ASP 42 33.620 26.455 22.287 338 H LYS 43 HN LYS 43 36.380 22.982 22.372 339 HA LYS 43 HA LYS 43 37.295 24.169 24.760 340 HB2 LYS 43 HB2 LYS 43 37.795 21.840 24.123 341 HB3 LYS 43 HB1 LYS 43 38.809 22.420 22.803 342 HG2 LYS 43 HG2 LYS 43 40.296 23.538 24.410 343 HG3 LYS 43 HG1 LYS 43 39.265 23.018 25.743 344 HD2 LYS 43 HD2 LYS 43 39.720 20.669 25.206 345 HD3 LYS 43 HD1 LYS 43 40.703 21.160 23.827 346 HE2 LYS 43 HE2 LYS 43 42.148 20.648 25.740 347 HE3 LYS 43 HE1 LYS 43 42.228 22.370 25.367 348 HZ1 LYS 43 HZ1 LYS 43 40.235 21.425 27.303 349 HZ2 LYS 43 HZ2 LYS 43 41.027 22.926 27.213 350 HZ3 LYS 43 HZ3 LYS 43 41.851 21.560 27.799 351 H LEU 44 HN LEU 44 38.402 24.469 21.402 352 HA LEU 44 HA LEU 44 40.616 26.136 21.895 353 HB2 LEU 44 HB2 LEU 44 40.279 24.967 19.765 354 HB3 LEU 44 HB1 LEU 44 38.853 25.948 19.438 355 HG LEU 44 HG LEU 44 40.256 27.988 19.424 356 HD11 LEU 44 HD11 LEU 44 42.826 27.446 19.257 357 HD12 LEU 44 HD12 LEU 44 42.395 25.996 20.165 358 HD13 LEU 44 HD13 LEU 44 42.078 27.593 20.845 359 HD21 LEU 44 HD21 LEU 44 41.384 25.812 17.638 360 HD22 LEU 44 HD22 LEU 44 41.381 27.545 17.311 361 HD23 LEU 44 HD23 LEU 44 39.862 26.651 17.344 362 H ALA 45 HN ALA 45 37.223 26.896 21.169 363 HA ALA 45 HA ALA 45 37.496 29.686 20.976 364 HB1 ALA 45 HB1 ALA 45 35.064 28.294 22.092 365 HB2 ALA 45 HB2 ALA 45 35.471 28.240 20.377 366 HB3 ALA 45 HB3 ALA 45 35.136 29.787 21.154 367 H ASP 46 HN ASP 46 36.923 27.590 23.779 368 HA ASP 46 HA ASP 46 36.925 29.912 25.584 369 HB2 ASP 46 HB2 ASP 46 36.393 26.967 25.999 370 HB3 ASP 46 HB1 ASP 46 36.479 28.128 27.323 371 H LYS 47 HN LYS 47 38.650 30.506 26.749 372 HA LYS 47 HA LYS 47 40.648 28.690 27.661 373 HB2 LYS 47 HB2 LYS 47 42.537 29.512 26.329 374 HB3 LYS 47 HB1 LYS 47 41.318 28.770 25.293 375 HG2 LYS 47 HG2 LYS 47 40.395 31.023 24.797 376 HG3 LYS 47 HG1 LYS 47 41.666 31.745 25.781 377 HD2 LYS 47 HD2 LYS 47 43.371 30.696 24.305 378 HD3 LYS 47 HD1 LYS 47 42.073 30.074 23.285 379 HE2 LYS 47 HE2 LYS 47 42.561 33.006 23.887 380 HE3 LYS 47 HE1 LYS 47 43.008 32.191 22.389 381 HZ1 LYS 47 HZ1 LYS 47 40.324 32.804 23.434 382 HZ2 LYS 47 HZ2 LYS 47 40.540 31.513 22.352 383 HZ3 LYS 47 HZ3 LYS 47 40.962 33.091 21.889 384 H GLN 48 HN GLN 48 38.910 31.322 28.060 385 HA GLN 48 HA GLN 48 41.002 33.023 29.254 386 HB2 GLN 48 HB2 GLN 48 38.055 33.501 28.758 387 HB3 GLN 48 HB1 GLN 48 39.150 34.664 29.510 388 HG2 GLN 48 HG2 GLN 48 40.562 34.642 27.484 389 HG3 GLN 48 HG1 GLN 48 39.460 33.490 26.731 390 HE21 GLN 48 HE21 GLN 48 38.501 34.767 25.098 391 HE22 GLN 48 HE22 GLN 48 37.679 36.222 25.400 392 H GLU 49 HN GLU 49 41.443 32.857 31.337 393 HA GLU 49 HA GLU 49 41.294 32.287 33.557 394 HB2 GLU 49 HB2 GLU 49 38.471 33.247 33.054 395 HB3 GLU 49 HB1 GLU 49 39.153 32.954 34.654 396 HG2 GLU 49 HG2 GLU 49 40.917 34.609 34.224 397 HG3 GLU 49 HG1 GLU 49 40.274 34.887 32.606 398 H HIS 50 HN HIS 50 40.924 30.104 31.721 399 HA HIS 50 HA HIS 50 38.869 28.436 33.032 400 HB2 HIS 50 HB2 HIS 50 40.466 28.060 30.489 401 HB3 HIS 50 HB1 HIS 50 39.339 26.877 31.142 402 HD2 HIS 50 HD2 HIS 50 36.611 27.485 30.744 403 HE1 HIS 50 HE1 HIS 50 37.227 31.147 28.734 404 HE2 HIS 50 HE2 HIS 50 35.488 29.418 29.394 405 H LEU 51 HN LEU 51 39.810 27.721 34.911 406 HA LEU 51 HA LEU 51 42.533 26.959 35.167 407 HB2 LEU 51 HB2 LEU 51 40.084 26.283 36.807 408 HB3 LEU 51 HB1 LEU 51 41.706 25.763 37.250 409 HG LEU 51 HG LEU 51 40.938 28.665 36.784 410 HD11 LEU 51 HD11 LEU 51 41.154 27.087 39.364 411 HD12 LEU 51 HD12 LEU 51 39.685 27.789 38.688 412 HD13 LEU 51 HD13 LEU 51 40.977 28.839 39.268 413 HD21 LEU 51 HD21 LEU 51 43.093 28.839 38.328 414 HD22 LEU 51 HD22 LEU 51 43.269 28.604 36.594 415 HD23 LEU 51 HD23 LEU 51 43.433 27.232 37.688 416 H ASP 52 HN ASP 52 39.579 25.153 34.460 417 HA ASP 52 HA ASP 52 41.148 23.034 33.226 418 HB2 ASP 52 HB2 ASP 52 40.149 21.242 34.551 419 HB3 ASP 52 HB1 ASP 52 41.047 22.340 35.597 420 H GLY 53 HN GLY 53 38.798 25.127 32.943 421 HA2 GLY 53 HA2 GLY 53 37.145 25.272 31.309 422 HA3 GLY 53 HA1 GLY 53 37.339 23.551 30.994 423 H ALA 54 HN ALA 54 37.094 23.888 34.258 424 HA ALA 54 HA ALA 54 34.579 22.636 34.460 425 HB1 ALA 54 HB1 ALA 54 36.215 24.144 36.508 426 HB2 ALA 54 HB2 ALA 54 36.187 22.401 36.240 427 HB3 ALA 54 HB3 ALA 54 34.766 23.215 36.895 428 H LEU 55 HN LEU 55 35.551 26.026 34.746 429 HA LEU 55 HA LEU 55 33.088 27.053 35.656 430 HB2 LEU 55 HB2 LEU 55 35.302 28.313 34.030 431 HB3 LEU 55 HB1 LEU 55 33.929 29.217 34.661 432 HG LEU 55 HG LEU 55 35.801 27.562 36.383 433 HD11 LEU 55 HD11 LEU 55 37.125 29.335 35.490 434 HD12 LEU 55 HD12 LEU 55 36.629 29.874 37.094 435 HD13 LEU 55 HD13 LEU 55 35.813 30.501 35.662 436 HD21 LEU 55 HD21 LEU 55 33.874 27.823 37.678 437 HD22 LEU 55 HD22 LEU 55 33.434 29.351 36.919 438 HD23 LEU 55 HD23 LEU 55 34.735 29.297 38.104 439 H ARG 56 HN ARG 56 34.328 26.442 32.400 440 HA ARG 56 HA ARG 56 32.229 27.682 30.991 441 HB2 ARG 56 HB2 ARG 56 34.304 27.094 29.878 442 HB3 ARG 56 HB1 ARG 56 34.049 25.389 30.219 443 HG2 ARG 56 HG2 ARG 56 33.470 25.896 27.887 444 HG3 ARG 56 HG1 ARG 56 32.035 25.401 28.771 445 HD2 ARG 56 HD2 ARG 56 31.272 27.680 28.956 446 HD3 ARG 56 HD1 ARG 56 32.806 28.303 28.355 447 HE ARG 56 HE ARG 56 31.798 26.630 26.374 448 HH11 ARG 56 HH11 ARG 56 30.589 27.475 24.646 449 HH12 ARG 56 HH12 ARG 56 29.782 28.998 24.823 450 HH21 ARG 56 HH21 ARG 56 30.857 29.487 28.083 451 HH22 ARG 56 HH22 ARG 56 29.935 30.137 26.769 452 H TYR 57 HN TYR 57 30.196 27.060 30.536 453 HA TYR 57 HA TYR 57 29.131 24.701 31.823 454 HB2 TYR 57 HB2 TYR 57 27.803 26.735 31.805 455 HB3 TYR 57 HB1 TYR 57 27.847 26.787 30.044 456 HD1 TYR 57 HD1 TYR 57 26.706 24.726 32.938 457 HD2 TYR 57 HD2 TYR 57 26.274 25.571 28.748 458 HE1 TYR 57 HE1 TYR 57 24.708 23.260 32.848 459 HE2 TYR 57 HE2 TYR 57 24.276 24.105 28.659 460 HH TYR 57 HH TYR 57 22.492 23.291 30.970 Start of MODEL 3 1 H1 GLY 1 HT1 GLY 1 -6.532 -18.449 44.489 2 H2 GLY 1 HT2 GLY 1 -8.169 -18.035 44.686 3 H3 GLY 1 HT3 GLY 1 -6.979 -17.292 45.645 4 HA2 GLY 1 HA2 GLY 1 -6.482 -16.976 42.840 5 HA3 GLY 1 HA1 GLY 1 -8.020 -16.280 43.349 6 H SER 2 HN SER 2 -7.329 -15.620 46.004 7 HA SER 2 HA SER 2 -6.162 -13.078 45.658 8 HB2 SER 2 HB2 SER 2 -6.600 -14.725 48.156 9 HB3 SER 2 HB1 SER 2 -6.087 -13.040 48.161 10 HG SER 2 HG SER 2 -8.162 -12.681 48.083 11 H ALA 3 HN ALA 3 -4.833 -16.153 46.803 12 HA ALA 3 HA ALA 3 -2.316 -15.203 47.635 13 HB1 ALA 3 HB1 ALA 3 -3.222 -17.894 46.604 14 HB2 ALA 3 HB2 ALA 3 -2.959 -17.407 48.279 15 HB3 ALA 3 HB3 ALA 3 -1.585 -17.594 47.189 16 H GLY 4 HN GLY 4 -3.499 -16.290 44.481 17 HA2 GLY 4 HA2 GLY 4 -2.626 -16.077 42.363 18 HA3 GLY 4 HA1 GLY 4 -1.749 -14.683 42.988 19 H LEU 5 HN LEU 5 0.311 -14.901 42.364 20 HA LEU 5 HA LEU 5 1.634 -17.545 42.636 21 HB2 LEU 5 HB2 LEU 5 2.441 -15.154 40.960 22 HB3 LEU 5 HB1 LEU 5 3.253 -16.720 40.999 23 HG LEU 5 HG LEU 5 0.378 -16.268 40.146 24 HD11 LEU 5 HD11 LEU 5 1.186 -16.706 37.883 25 HD12 LEU 5 HD12 LEU 5 2.826 -16.944 38.488 26 HD13 LEU 5 HD13 LEU 5 2.078 -15.348 38.570 27 HD21 LEU 5 HD21 LEU 5 2.116 -18.713 40.465 28 HD22 LEU 5 HD22 LEU 5 0.870 -18.693 39.217 29 HD23 LEU 5 HD23 LEU 5 0.424 -18.486 40.907 30 H GLN 6 HN GLN 6 3.436 -17.748 43.859 31 HA GLN 6 HA GLN 6 4.990 -15.534 44.780 32 HB2 GLN 6 HB2 GLN 6 4.438 -15.729 47.183 33 HB3 GLN 6 HB1 GLN 6 3.060 -15.179 46.234 34 HG2 GLN 6 HG2 GLN 6 2.126 -16.837 47.615 35 HG3 GLN 6 HG1 GLN 6 2.412 -17.693 46.103 36 HE21 GLN 6 HE21 GLN 6 2.670 -19.769 47.192 37 HE22 GLN 6 HE22 GLN 6 4.041 -20.107 48.134 38 H GLU 7 HN GLU 7 4.816 -18.523 43.812 39 HA GLU 7 HA GLU 7 6.201 -20.082 45.725 40 HB2 GLU 7 HB2 GLU 7 5.976 -20.303 42.722 41 HB3 GLU 7 HB1 GLU 7 6.848 -21.480 43.704 42 HG2 GLU 7 HG2 GLU 7 4.848 -22.024 44.948 43 HG3 GLU 7 HG1 GLU 7 3.950 -20.717 44.180 44 H LYS 8 HN LYS 8 7.310 -17.978 43.109 45 HA LYS 8 HA LYS 8 10.090 -18.626 43.491 46 HB2 LYS 8 HB2 LYS 8 8.700 -16.417 41.963 47 HB3 LYS 8 HB1 LYS 8 10.450 -16.631 41.990 48 HG2 LYS 8 HG2 LYS 8 10.190 -18.914 41.089 49 HG3 LYS 8 HG1 LYS 8 8.440 -18.703 41.055 50 HD2 LYS 8 HD2 LYS 8 8.692 -16.810 39.495 51 HD3 LYS 8 HD1 LYS 8 10.443 -17.019 39.526 52 HE2 LYS 8 HE2 LYS 8 10.195 -19.298 38.617 53 HE3 LYS 8 HE1 LYS 8 8.442 -19.099 38.592 54 HZ1 LYS 8 HZ1 LYS 8 10.481 -17.750 36.944 55 HZ2 LYS 8 HZ2 LYS 8 8.965 -17.027 37.194 56 HZ3 LYS 8 HZ3 LYS 8 9.070 -18.551 36.451 57 H GLU 9 HN GLU 9 11.623 -17.542 44.645 58 HA GLU 9 HA GLU 9 10.746 -15.207 46.259 59 HB2 GLU 9 HB2 GLU 9 10.874 -17.246 47.650 60 HB3 GLU 9 HB1 GLU 9 12.541 -17.486 47.137 61 HG2 GLU 9 HG2 GLU 9 12.492 -16.396 49.328 62 HG3 GLU 9 HG1 GLU 9 13.147 -15.286 48.131 63 H ARG 10 HN ARG 10 13.537 -16.986 44.948 64 HA ARG 10 HA ARG 10 15.469 -14.991 45.385 65 HB2 ARG 10 HB2 ARG 10 16.023 -17.321 44.801 66 HB3 ARG 10 HB1 ARG 10 15.366 -17.068 43.185 67 HG2 ARG 10 HG2 ARG 10 17.040 -15.343 42.732 68 HG3 ARG 10 HG1 ARG 10 17.659 -15.483 44.378 69 HD2 ARG 10 HD2 ARG 10 19.078 -16.756 42.842 70 HD3 ARG 10 HD1 ARG 10 18.244 -17.851 43.941 71 HE ARG 10 HE ARG 10 17.043 -18.694 42.126 72 HH11 ARG 10 HH11 ARG 10 16.636 -18.884 39.901 73 HH12 ARG 10 HH12 ARG 10 17.236 -17.679 38.810 74 HH21 ARG 10 HH21 ARG 10 18.725 -15.784 41.303 75 HH22 ARG 10 HH22 ARG 10 18.418 -15.923 39.605 76 H GLU 11 HN GLU 11 13.377 -15.624 42.583 77 HA GLU 11 HA GLU 11 14.437 -13.613 40.908 78 HB2 GLU 11 HB2 GLU 11 11.697 -14.898 41.019 79 HB3 GLU 11 HB1 GLU 11 12.189 -13.770 39.759 80 HG2 GLU 11 HG2 GLU 11 12.664 -15.867 38.807 81 HG3 GLU 11 HG1 GLU 11 14.229 -15.352 39.426 82 H LEU 12 HN LEU 12 11.855 -13.553 43.333 83 HA LEU 12 HA LEU 12 10.917 -10.943 42.791 84 HB2 LEU 12 HB2 LEU 12 10.909 -12.583 45.330 85 HB3 LEU 12 HB1 LEU 12 10.086 -11.036 45.172 86 HG LEU 12 HG LEU 12 9.584 -13.418 43.361 87 HD11 LEU 12 HD11 LEU 12 7.846 -12.407 45.627 88 HD12 LEU 12 HD12 LEU 12 8.949 -13.773 45.785 89 HD13 LEU 12 HD13 LEU 12 7.599 -13.857 44.654 90 HD21 LEU 12 HD21 LEU 12 7.372 -11.949 43.095 91 HD22 LEU 12 HD22 LEU 12 8.806 -11.587 42.141 92 HD23 LEU 12 HD23 LEU 12 8.445 -10.637 43.582 93 H GLU 13 HN GLU 13 13.494 -12.159 44.880 94 HA GLU 13 HA GLU 13 14.102 -9.698 46.146 95 HB2 GLU 13 HB2 GLU 13 15.776 -12.162 45.633 96 HB3 GLU 13 HB1 GLU 13 16.357 -10.779 46.558 97 HG2 GLU 13 HG2 GLU 13 13.806 -12.277 47.227 98 HG3 GLU 13 HG1 GLU 13 15.367 -12.631 47.963 99 H ASP 14 HN ASP 14 15.251 -11.203 43.160 100 HA ASP 14 HA ASP 14 17.317 -9.385 42.573 101 HB2 ASP 14 HB2 ASP 14 16.992 -11.543 41.402 102 HB3 ASP 14 HB1 ASP 14 15.547 -10.889 40.632 103 H LEU 15 HN LEU 15 13.866 -9.354 41.738 104 HA LEU 15 HA LEU 15 13.920 -7.032 40.129 105 HB2 LEU 15 HB2 LEU 15 11.718 -8.275 41.786 106 HB3 LEU 15 HB1 LEU 15 11.461 -6.914 40.698 107 HG LEU 15 HG LEU 15 12.645 -9.573 39.835 108 HD11 LEU 15 HD11 LEU 15 9.814 -8.546 39.473 109 HD12 LEU 15 HD12 LEU 15 10.292 -9.775 40.642 110 HD13 LEU 15 HD13 LEU 15 10.448 -10.095 38.916 111 HD21 LEU 15 HD21 LEU 15 11.708 -8.541 37.564 112 HD22 LEU 15 HD22 LEU 15 13.289 -8.065 38.171 113 HD23 LEU 15 HD23 LEU 15 11.897 -7.014 38.427 114 H LYS 16 HN LYS 16 13.492 -7.508 43.605 115 HA LYS 16 HA LYS 16 12.799 -4.871 44.281 116 HB2 LYS 16 HB2 LYS 16 12.563 -6.739 45.848 117 HB3 LYS 16 HB1 LYS 16 14.311 -6.941 45.895 118 HG2 LYS 16 HG2 LYS 16 13.521 -5.697 47.866 119 HG3 LYS 16 HG1 LYS 16 14.549 -4.677 46.866 120 HD2 LYS 16 HD2 LYS 16 12.724 -3.422 46.050 121 HD3 LYS 16 HD1 LYS 16 11.551 -4.663 46.500 122 HE2 LYS 16 HE2 LYS 16 11.436 -2.757 48.052 123 HE3 LYS 16 HE1 LYS 16 12.007 -4.199 48.891 124 HZ1 LYS 16 HZ1 LYS 16 14.315 -3.219 48.105 125 HZ2 LYS 16 HZ2 LYS 16 13.585 -2.747 49.565 126 HZ3 LYS 16 HZ3 LYS 16 13.448 -1.763 48.186 127 H ASP 17 HN ASP 17 15.964 -6.460 44.032 128 HA ASP 17 HA ASP 17 17.537 -4.301 44.915 129 HB2 ASP 17 HB2 ASP 17 18.377 -6.614 44.649 130 HB3 ASP 17 HB1 ASP 17 18.266 -6.436 42.899 131 H ALA 18 HN ALA 18 16.411 -5.203 41.672 132 HA ALA 18 HA ALA 18 17.801 -3.226 40.231 133 HB1 ALA 18 HB1 ALA 18 16.000 -3.570 38.511 134 HB2 ALA 18 HB2 ALA 18 15.177 -4.617 39.666 135 HB3 ALA 18 HB3 ALA 18 16.772 -5.058 39.057 136 H GLU 19 HN GLU 19 14.643 -3.183 41.834 137 HA GLU 19 HA GLU 19 13.787 -0.662 40.894 138 HB2 GLU 19 HB2 GLU 19 13.126 -2.208 43.405 139 HB3 GLU 19 HB1 GLU 19 12.335 -0.694 42.967 140 HG2 GLU 19 HG2 GLU 19 11.517 -1.650 40.897 141 HG3 GLU 19 HG1 GLU 19 12.447 -3.124 41.160 142 H LEU 20 HN LEU 20 15.724 -1.616 43.696 143 HA LEU 20 HA LEU 20 15.826 0.891 44.970 144 HB2 LEU 20 HB2 LEU 20 16.540 -1.184 46.069 145 HB3 LEU 20 HB1 LEU 20 17.880 -1.335 44.936 146 HG LEU 20 HG LEU 20 18.829 0.794 45.770 147 HD11 LEU 20 HD11 LEU 20 16.298 0.775 47.408 148 HD12 LEU 20 HD12 LEU 20 17.038 2.108 46.522 149 HD13 LEU 20 HD13 LEU 20 17.743 1.565 48.041 150 HD21 LEU 20 HD21 LEU 20 19.424 -0.031 48.052 151 HD22 LEU 20 HD22 LEU 20 19.546 -1.288 46.821 152 HD23 LEU 20 HD23 LEU 20 18.159 -1.250 47.908 153 H LYS 21 HN LYS 21 17.940 -0.584 42.527 154 HA LYS 21 HA LYS 21 19.848 1.484 42.394 155 HB2 LYS 21 HB2 LYS 21 20.138 -0.767 41.398 156 HB3 LYS 21 HB1 LYS 21 18.943 -0.363 40.169 157 HG2 LYS 21 HG2 LYS 21 20.366 1.567 39.463 158 HG3 LYS 21 HG1 LYS 21 21.582 1.062 40.632 159 HD2 LYS 21 HD2 LYS 21 20.560 -0.788 38.469 160 HD3 LYS 21 HD1 LYS 21 21.930 0.290 38.210 161 HE2 LYS 21 HE2 LYS 21 23.018 -0.751 40.244 162 HE3 LYS 21 HE1 LYS 21 21.718 -1.939 40.252 163 HZ1 LYS 21 HZ1 LYS 21 23.144 -1.482 37.744 164 HZ2 LYS 21 HZ2 LYS 21 22.444 -2.906 38.352 165 HZ3 LYS 21 HZ3 LYS 21 23.936 -2.365 38.957 166 H ARG 22 HN ARG 22 16.818 0.962 40.619 167 HA ARG 22 HA ARG 22 17.031 3.141 38.853 168 HB2 ARG 22 HB2 ARG 22 15.367 1.332 38.603 169 HB3 ARG 22 HB1 ARG 22 14.526 1.920 40.037 170 HG2 ARG 22 HG2 ARG 22 14.092 4.067 38.938 171 HG3 ARG 22 HG1 ARG 22 14.999 3.543 37.520 172 HD2 ARG 22 HD2 ARG 22 13.394 1.715 37.157 173 HD3 ARG 22 HD1 ARG 22 12.497 2.206 38.591 174 HE ARG 22 HE ARG 22 12.689 4.426 36.873 175 HH11 ARG 22 HH11 ARG 22 10.915 4.962 35.558 176 HH12 ARG 22 HH12 ARG 22 9.718 3.763 35.199 177 HH21 ARG 22 HH21 ARG 22 11.279 1.271 37.036 178 HH22 ARG 22 HH22 ARG 22 9.924 1.674 36.035 179 H LEU 23 HN LEU 23 15.612 2.896 42.100 180 HA LEU 23 HA LEU 23 14.614 5.535 42.242 181 HB2 LEU 23 HB2 LEU 23 15.515 3.611 44.394 182 HB3 LEU 23 HB1 LEU 23 14.740 5.154 44.738 183 HG LEU 23 HG LEU 23 13.521 3.004 42.980 184 HD11 LEU 23 HD11 LEU 23 13.168 3.612 45.923 185 HD12 LEU 23 HD12 LEU 23 13.665 2.086 45.190 186 HD13 LEU 23 HD13 LEU 23 12.010 2.662 44.996 187 HD21 LEU 23 HD21 LEU 23 11.414 4.436 43.762 188 HD22 LEU 23 HD22 LEU 23 12.391 4.963 42.398 189 HD23 LEU 23 HD23 LEU 23 12.623 5.700 43.981 190 H ASN 24 HN ASN 24 17.756 4.135 43.061 191 HA ASN 24 HA ASN 24 18.881 6.392 44.309 192 HB2 ASN 24 HB2 ASN 24 19.887 4.131 44.368 193 HB3 ASN 24 HB1 ASN 24 20.284 4.280 42.656 194 HD21 ASN 24 HD21 ASN 24 22.426 4.885 42.364 195 HD22 ASN 24 HD22 ASN 24 23.298 5.915 43.394 196 H GLU 25 HN GLU 25 18.788 5.404 40.905 197 HA GLU 25 HA GLU 25 20.382 7.586 39.968 198 HB2 GLU 25 HB2 GLU 25 18.483 5.701 38.560 199 HB3 GLU 25 HB1 GLU 25 19.457 6.911 37.724 200 HG2 GLU 25 HG2 GLU 25 21.510 5.904 38.567 201 HG3 GLU 25 HG1 GLU 25 20.585 4.756 39.531 202 H GLU 26 HN GLU 26 19.764 9.525 39.071 203 HA GLU 26 HA GLU 26 16.890 10.251 39.205 204 HB2 GLU 26 HB2 GLU 26 19.250 11.879 40.176 205 HB3 GLU 26 HB1 GLU 26 17.608 12.500 40.008 206 HG2 GLU 26 HG2 GLU 26 16.789 10.808 41.590 207 HG3 GLU 26 HG1 GLU 26 18.416 10.147 41.741 208 H ARG 27 HN ARG 27 16.181 11.711 37.661 209 HA ARG 27 HA ARG 27 17.611 11.715 35.185 210 HB2 ARG 27 HB2 ARG 27 15.096 13.130 36.090 211 HB3 ARG 27 HB1 ARG 27 15.724 13.216 34.444 212 HG2 ARG 27 HG2 ARG 27 15.596 10.763 34.257 213 HG3 ARG 27 HG1 ARG 27 14.977 10.667 35.906 214 HD2 ARG 27 HD2 ARG 27 13.024 12.023 35.256 215 HD3 ARG 27 HD1 ARG 27 13.641 12.129 33.610 216 HE ARG 27 HE ARG 27 13.446 9.407 34.321 217 HH11 ARG 27 HH11 ARG 27 11.671 8.203 33.571 218 HH12 ARG 27 HH12 ARG 27 10.231 9.020 33.066 219 HH21 ARG 27 HH21 ARG 27 11.477 12.188 33.725 220 HH22 ARG 27 HH22 ARG 27 10.120 11.277 33.152 221 H HIS 28 HN HIS 28 17.628 13.742 37.931 222 HA HIS 28 HA HIS 28 18.192 16.250 36.777 223 HB2 HIS 28 HB2 HIS 28 18.922 15.034 39.443 224 HB3 HIS 28 HB1 HIS 28 19.314 16.699 39.014 225 HD2 HIS 28 HD2 HIS 28 17.163 18.482 39.179 226 HE1 HIS 28 HE1 HIS 28 14.171 15.624 40.014 227 HE2 HIS 28 HE2 HIS 28 14.665 18.109 39.843 228 H ASP 29 HN ASP 29 20.298 13.539 37.652 229 HA ASP 29 HA ASP 29 22.755 14.882 37.199 230 HB2 ASP 29 HB2 ASP 29 23.749 12.649 37.160 231 HB3 ASP 29 HB1 ASP 29 22.584 12.778 38.476 232 H HIS 30 HN HIS 30 20.376 13.636 35.058 233 HA HIS 30 HA HIS 30 21.955 12.970 32.823 234 HB2 HIS 30 HB2 HIS 30 19.499 12.493 33.087 235 HB3 HIS 30 HB1 HIS 30 19.191 14.198 32.764 236 HD2 HIS 30 HD2 HIS 30 20.103 10.958 30.815 237 HE1 HIS 30 HE1 HIS 30 20.053 14.129 28.029 238 HE2 HIS 30 HE2 HIS 30 20.191 11.607 28.287 239 H ASP 31 HN ASP 31 20.513 16.047 33.846 240 HA ASP 31 HA ASP 31 21.280 17.582 31.611 241 HB2 ASP 31 HB2 ASP 31 20.751 18.327 34.491 242 HB3 ASP 31 HB1 ASP 31 21.096 19.522 33.240 243 H LYS 32 HN LYS 32 22.953 16.781 34.616 244 HA LYS 32 HA LYS 32 25.152 18.513 34.347 245 HB2 LYS 32 HB2 LYS 32 24.631 17.273 36.419 246 HB3 LYS 32 HB1 LYS 32 25.065 15.765 35.617 247 HG2 LYS 32 HG2 LYS 32 27.359 16.580 35.275 248 HG3 LYS 32 HG1 LYS 32 26.933 18.121 36.022 249 HD2 LYS 32 HD2 LYS 32 26.386 16.939 38.125 250 HD3 LYS 32 HD1 LYS 32 26.841 15.408 37.376 251 HE2 LYS 32 HE2 LYS 32 28.691 17.787 37.711 252 HE3 LYS 32 HE1 LYS 32 28.683 16.362 38.751 253 HZ1 LYS 32 HZ1 LYS 32 29.819 15.203 37.255 254 HZ2 LYS 32 HZ2 LYS 32 30.108 16.668 36.443 255 HZ3 LYS 32 HZ3 LYS 32 28.805 15.680 35.980 256 H ARG 33 HN ARG 33 24.590 15.232 33.133 257 HA ARG 33 HA ARG 33 27.151 14.746 32.086 258 HB2 ARG 33 HB2 ARG 33 25.426 13.001 32.321 259 HB3 ARG 33 HB1 ARG 33 24.476 13.772 31.051 260 HG2 ARG 33 HG2 ARG 33 26.240 13.388 29.423 261 HG3 ARG 33 HG1 ARG 33 27.310 12.762 30.678 262 HD2 ARG 33 HD2 ARG 33 25.782 10.893 31.084 263 HD3 ARG 33 HD1 ARG 33 24.654 11.532 29.892 264 HE ARG 33 HE ARG 33 27.101 11.214 28.593 265 HH11 ARG 33 HH11 ARG 33 27.512 9.346 27.367 266 HH12 ARG 33 HH12 ARG 33 26.621 7.895 27.683 267 HH21 ARG 33 HH21 ARG 33 24.743 9.292 30.243 268 HH22 ARG 33 HH22 ARG 33 25.053 7.865 29.311 269 H GLU 34 HN GLU 34 24.297 16.285 30.642 270 HA GLU 34 HA GLU 34 25.376 16.647 28.052 271 HB2 GLU 34 HB2 GLU 34 23.234 18.141 29.572 272 HB3 GLU 34 HB1 GLU 34 23.659 18.520 27.905 273 HG2 GLU 34 HG2 GLU 34 23.049 16.307 27.169 274 HG3 GLU 34 HG1 GLU 34 22.835 15.751 28.827 275 H ALA 35 HN ALA 35 25.457 18.642 30.969 276 HA ALA 35 HA ALA 35 26.619 20.944 29.845 277 HB1 ALA 35 HB1 ALA 35 25.679 21.107 32.027 278 HB2 ALA 35 HB2 ALA 35 27.416 21.353 32.220 279 HB3 ALA 35 HB3 ALA 35 26.693 19.800 32.636 280 H GLU 36 HN GLU 36 28.078 18.005 31.183 281 HA GLU 36 HA GLU 36 30.752 18.871 31.188 282 HB2 GLU 36 HB2 GLU 36 29.978 16.817 32.314 283 HB3 GLU 36 HB1 GLU 36 29.684 16.072 30.743 284 HG2 GLU 36 HG2 GLU 36 32.061 16.264 30.176 285 HG3 GLU 36 HG1 GLU 36 32.376 17.093 31.700 286 H ARG 37 HN ARG 37 28.865 17.220 28.652 287 HA ARG 37 HA ARG 37 30.997 16.997 26.807 288 HB2 ARG 37 HB2 ARG 37 28.001 17.034 26.433 289 HB3 ARG 37 HB1 ARG 37 29.131 16.774 25.103 290 HG2 ARG 37 HG2 ARG 37 30.080 14.831 26.246 291 HG3 ARG 37 HG1 ARG 37 29.033 15.109 27.637 292 HD2 ARG 37 HD2 ARG 37 27.990 14.605 24.843 293 HD3 ARG 37 HD1 ARG 37 28.213 13.331 26.037 294 HE ARG 37 HE ARG 37 26.666 15.342 27.228 295 HH11 ARG 37 HH11 ARG 37 24.408 15.097 27.324 296 HH12 ARG 37 HH12 ARG 37 23.610 14.036 26.213 297 HH21 ARG 37 HH21 ARG 37 26.531 13.087 24.606 298 HH22 ARG 37 HH22 ARG 37 24.812 12.899 24.674 299 H LYS 38 HN LYS 38 28.587 19.533 27.357 300 HA LYS 38 HA LYS 38 29.200 21.108 25.095 301 HB2 LYS 38 HB2 LYS 38 28.065 21.832 27.801 302 HB3 LYS 38 HB1 LYS 38 28.219 22.987 26.477 303 HG2 LYS 38 HG2 LYS 38 26.833 21.540 25.043 304 HG3 LYS 38 HG1 LYS 38 26.681 20.375 26.357 305 HD2 LYS 38 HD2 LYS 38 25.594 22.105 27.755 306 HD3 LYS 38 HD1 LYS 38 25.722 23.251 26.422 307 HE2 LYS 38 HE2 LYS 38 24.230 20.614 26.302 308 HE3 LYS 38 HE1 LYS 38 23.474 22.192 26.525 309 HZ1 LYS 38 HZ1 LYS 38 25.273 22.119 24.296 310 HZ2 LYS 38 HZ2 LYS 38 23.664 22.657 24.373 311 HZ3 LYS 38 HZ3 LYS 38 24.001 21.009 24.138 312 H ALA 39 HN ALA 39 30.561 21.021 28.361 313 HA ALA 39 HA ALA 39 32.199 23.303 28.159 314 HB1 ALA 39 HB1 ALA 39 32.415 20.777 29.797 315 HB2 ALA 39 HB2 ALA 39 31.878 22.373 30.321 316 HB3 ALA 39 HB3 ALA 39 33.578 22.096 29.940 317 H LEU 40 HN LEU 40 32.759 19.917 27.293 318 HA LEU 40 HA LEU 40 35.497 20.158 26.634 319 HB2 LEU 40 HB2 LEU 40 33.359 18.249 25.670 320 HB3 LEU 40 HB1 LEU 40 35.063 18.087 25.255 321 HG LEU 40 HG LEU 40 34.019 18.204 28.101 322 HD11 LEU 40 HD11 LEU 40 34.270 15.790 28.164 323 HD12 LEU 40 HD12 LEU 40 34.891 15.773 26.513 324 HD13 LEU 40 HD13 LEU 40 33.210 16.207 26.818 325 HD21 LEU 40 HD21 LEU 40 36.283 18.749 28.276 326 HD22 LEU 40 HD22 LEU 40 36.731 17.829 26.839 327 HD23 LEU 40 HD23 LEU 40 36.382 16.994 28.352 328 H GLU 41 HN GLU 41 32.544 20.613 24.751 329 HA GLU 41 HA GLU 41 33.914 21.007 22.272 330 HB2 GLU 41 HB2 GLU 41 31.082 21.612 23.159 331 HB3 GLU 41 HB1 GLU 41 31.655 21.848 21.509 332 HG2 GLU 41 HG2 GLU 41 32.243 19.482 21.336 333 HG3 GLU 41 HG1 GLU 41 31.768 19.221 23.014 334 H ASP 42 HN ASP 42 33.648 23.194 21.019 335 HA ASP 42 HA ASP 42 34.115 25.425 20.859 336 HB2 ASP 42 HB2 ASP 42 31.918 25.458 22.181 337 HB3 ASP 42 HB1 ASP 42 32.914 25.735 23.609 338 H LYS 43 HN LYS 43 35.857 23.453 22.475 339 HA LYS 43 HA LYS 43 37.212 24.917 24.483 340 HB2 LYS 43 HB2 LYS 43 37.372 22.466 24.251 341 HB3 LYS 43 HB1 LYS 43 38.243 22.670 22.733 342 HG2 LYS 43 HG2 LYS 43 40.048 23.859 23.905 343 HG3 LYS 43 HG1 LYS 43 39.166 23.721 25.427 344 HD2 LYS 43 HD2 LYS 43 39.273 21.255 25.254 345 HD3 LYS 43 HD1 LYS 43 40.180 21.408 23.749 346 HE2 LYS 43 HE2 LYS 43 41.069 22.524 26.426 347 HE3 LYS 43 HE1 LYS 43 41.669 21.029 25.708 348 HZ1 LYS 43 HZ1 LYS 43 43.219 22.573 25.031 349 HZ2 LYS 43 HZ2 LYS 43 42.070 23.807 24.817 350 HZ3 LYS 43 HZ3 LYS 43 42.172 22.534 23.696 351 H LEU 44 HN LEU 44 37.832 24.482 21.019 352 HA LEU 44 HA LEU 44 40.266 25.904 20.907 353 HB2 LEU 44 HB2 LEU 44 38.153 25.375 18.813 354 HB3 LEU 44 HB1 LEU 44 39.700 26.133 18.455 355 HG LEU 44 HG LEU 44 39.413 23.424 19.791 356 HD11 LEU 44 HD11 LEU 44 38.497 23.409 17.492 357 HD12 LEU 44 HD12 LEU 44 39.988 22.471 17.597 358 HD13 LEU 44 HD13 LEU 44 40.011 24.088 16.890 359 HD21 LEU 44 HD21 LEU 44 41.868 23.354 18.752 360 HD22 LEU 44 HD22 LEU 44 41.582 24.112 20.312 361 HD23 LEU 44 HD23 LEU 44 41.736 25.109 18.866 362 H ALA 45 HN ALA 45 36.907 26.966 20.565 363 HA ALA 45 HA ALA 45 37.421 29.585 19.683 364 HB1 ALA 45 HB1 ALA 45 35.192 28.821 19.518 365 HB2 ALA 45 HB2 ALA 45 35.146 30.063 20.770 366 HB3 ALA 45 HB3 ALA 45 35.139 28.358 21.218 367 H ASP 46 HN ASP 46 37.208 28.233 22.960 368 HA ASP 46 HA ASP 46 38.793 30.438 23.987 369 HB2 ASP 46 HB2 ASP 46 37.157 31.162 25.648 370 HB3 ASP 46 HB1 ASP 46 36.491 31.358 24.029 371 H LYS 47 HN LYS 47 39.270 30.125 26.340 372 HA LYS 47 HA LYS 47 39.844 27.334 26.840 373 HB2 LYS 47 HB2 LYS 47 40.378 29.828 28.459 374 HB3 LYS 47 HB1 LYS 47 40.964 28.219 28.885 375 HG2 LYS 47 HG2 LYS 47 42.047 28.124 26.589 376 HG3 LYS 47 HG1 LYS 47 41.650 29.830 26.412 377 HD2 LYS 47 HD2 LYS 47 43.263 28.743 28.735 378 HD3 LYS 47 HD1 LYS 47 44.000 29.350 27.254 379 HE2 LYS 47 HE2 LYS 47 42.225 30.935 29.142 380 HE3 LYS 47 HE1 LYS 47 43.963 31.114 28.944 381 HZ1 LYS 47 HZ1 LYS 47 43.511 32.577 27.366 382 HZ2 LYS 47 HZ2 LYS 47 41.859 32.186 27.360 383 HZ3 LYS 47 HZ3 LYS 47 42.949 31.294 26.409 384 H GLN 48 HN GLN 48 39.041 26.067 28.501 385 HA GLN 48 HA GLN 48 36.352 26.608 29.316 386 HB2 GLN 48 HB2 GLN 48 37.210 24.316 28.880 387 HB3 GLN 48 HB1 GLN 48 38.256 24.461 30.291 388 HG2 GLN 48 HG2 GLN 48 36.212 23.248 30.885 389 HG3 GLN 48 HG1 GLN 48 36.253 24.797 31.722 390 HE21 GLN 48 HE21 GLN 48 35.049 23.483 28.572 391 HE22 GLN 48 HE22 GLN 48 33.602 24.370 28.600 392 H GLU 49 HN GLU 49 35.613 27.514 31.146 393 HA GLU 49 HA GLU 49 37.414 28.860 32.905 394 HB2 GLU 49 HB2 GLU 49 34.431 28.381 33.028 395 HB3 GLU 49 HB1 GLU 49 35.309 29.369 34.195 396 HG2 GLU 49 HG2 GLU 49 36.065 30.864 32.427 397 HG3 GLU 49 HG1 GLU 49 35.324 29.838 31.200 398 H HIS 50 HN HIS 50 37.998 28.398 34.997 399 HA HIS 50 HA HIS 50 38.093 25.648 35.750 400 HB2 HIS 50 HB2 HIS 50 39.242 26.431 37.738 401 HB3 HIS 50 HB1 HIS 50 39.843 27.324 36.341 402 HD2 HIS 50 HD2 HIS 50 38.088 28.029 39.713 403 HE1 HIS 50 HE1 HIS 50 38.054 31.646 37.537 404 HE2 HIS 50 HE2 HIS 50 37.617 30.595 39.808 405 H LEU 51 HN LEU 51 35.760 28.093 36.163 406 HA LEU 51 HA LEU 51 34.645 27.354 38.658 407 HB2 LEU 51 HB2 LEU 51 33.435 28.678 36.226 408 HB3 LEU 51 HB1 LEU 51 32.544 28.433 37.724 409 HG LEU 51 HG LEU 51 35.190 29.918 37.564 410 HD11 LEU 51 HD11 LEU 51 32.349 30.977 37.595 411 HD12 LEU 51 HD12 LEU 51 33.505 31.121 36.272 412 HD13 LEU 51 HD13 LEU 51 33.794 31.968 37.791 413 HD21 LEU 51 HD21 LEU 51 33.195 29.335 39.748 414 HD22 LEU 51 HD22 LEU 51 34.091 30.852 39.796 415 HD23 LEU 51 HD23 LEU 51 34.956 29.320 39.813 416 H ASP 52 HN ASP 52 34.081 26.221 35.359 417 HA ASP 52 HA ASP 52 31.849 24.584 35.891 418 HB2 ASP 52 HB2 ASP 52 34.009 24.437 33.785 419 HB3 ASP 52 HB1 ASP 52 32.630 23.339 33.821 420 H GLY 53 HN GLY 53 35.328 23.970 36.073 421 HA2 GLY 53 HA2 GLY 53 35.229 21.191 36.517 422 HA3 GLY 53 HA1 GLY 53 36.534 22.258 37.027 423 H ALA 54 HN ALA 54 35.048 23.934 38.754 424 HA ALA 54 HA ALA 54 35.168 22.480 41.161 425 HB1 ALA 54 HB1 ALA 54 35.349 24.986 40.903 426 HB2 ALA 54 HB2 ALA 54 34.300 24.452 42.217 427 HB3 ALA 54 HB3 ALA 54 33.598 25.022 40.704 428 H LEU 55 HN LEU 55 32.444 23.351 39.073 429 HA LEU 55 HA LEU 55 30.377 22.440 40.769 430 HB2 LEU 55 HB2 LEU 55 30.540 22.689 37.761 431 HB3 LEU 55 HB1 LEU 55 29.061 22.270 38.619 432 HG LEU 55 HG LEU 55 30.677 24.780 39.161 433 HD11 LEU 55 HD11 LEU 55 28.111 24.505 37.571 434 HD12 LEU 55 HD12 LEU 55 29.708 24.687 36.846 435 HD13 LEU 55 HD13 LEU 55 29.038 25.982 37.839 436 HD21 LEU 55 HD21 LEU 55 29.372 24.487 41.077 437 HD22 LEU 55 HD22 LEU 55 28.090 23.643 40.212 438 HD23 LEU 55 HD23 LEU 55 28.247 25.393 40.071 439 H ARG 56 HN ARG 56 32.335 20.812 38.318 440 HA ARG 56 HA ARG 56 30.908 18.341 38.414 441 HB2 ARG 56 HB2 ARG 56 33.700 19.020 37.466 442 HB3 ARG 56 HB1 ARG 56 32.942 17.440 37.259 443 HG2 ARG 56 HG2 ARG 56 31.142 18.423 35.944 444 HG3 ARG 56 HG1 ARG 56 31.773 20.044 36.238 445 HD2 ARG 56 HD2 ARG 56 32.478 19.295 34.026 446 HD3 ARG 56 HD1 ARG 56 33.882 19.404 35.084 447 HE ARG 56 HE ARG 56 32.783 16.774 35.145 448 HH11 ARG 56 HH11 ARG 56 33.919 15.143 34.045 449 HH12 ARG 56 HH12 ARG 56 35.088 15.573 32.840 450 HH21 ARG 56 HH21 ARG 56 34.609 18.988 33.211 451 HH22 ARG 56 HH22 ARG 56 35.477 17.749 32.368 452 H TYR 57 HN TYR 57 31.362 16.461 39.527 453 HA TYR 57 HA TYR 57 32.293 16.621 42.139 454 HB2 TYR 57 HB2 TYR 57 32.379 14.153 42.082 455 HB3 TYR 57 HB1 TYR 57 30.905 14.769 41.337 456 HD1 TYR 57 HD1 TYR 57 34.175 13.188 40.720 457 HD2 TYR 57 HD2 TYR 57 30.558 14.653 38.925 458 HE1 TYR 57 HE1 TYR 57 34.750 12.022 38.608 459 HE2 TYR 57 HE2 TYR 57 31.133 13.487 36.814 460 HH TYR 57 HH TYR 57 32.944 11.140 36.445 Start of MODEL 4 1 H1 GLY 1 HT1 GLY 1 5.052 42.243 56.407 2 H2 GLY 1 HT2 GLY 1 6.571 41.623 56.850 3 H3 GLY 1 HT3 GLY 1 5.566 40.746 55.797 4 HA2 GLY 1 HA2 GLY 1 6.009 43.338 54.756 5 HA3 GLY 1 HA1 GLY 1 7.546 42.547 55.105 6 H SER 2 HN SER 2 8.270 40.994 53.750 7 HA SER 2 HA SER 2 6.408 39.881 51.727 8 HB2 SER 2 HB2 SER 2 9.249 40.835 51.289 9 HB3 SER 2 HB1 SER 2 8.258 40.003 50.093 10 HG SER 2 HG SER 2 6.702 41.777 50.528 11 H ALA 3 HN ALA 3 6.963 37.796 50.949 12 HA ALA 3 HA ALA 3 7.865 35.995 52.909 13 HB1 ALA 3 HB1 ALA 3 6.380 35.416 50.975 14 HB2 ALA 3 HB2 ALA 3 7.732 34.303 51.183 15 HB3 ALA 3 HB3 ALA 3 7.788 35.532 49.918 16 H GLY 4 HN GLY 4 9.501 37.535 50.192 17 HA2 GLY 4 HA2 GLY 4 12.062 37.379 51.366 18 HA3 GLY 4 HA1 GLY 4 11.891 36.065 50.207 19 H LEU 5 HN LEU 5 13.806 37.584 49.454 20 HA LEU 5 HA LEU 5 12.791 39.732 47.699 21 HB2 LEU 5 HB2 LEU 5 14.630 40.346 49.197 22 HB3 LEU 5 HB1 LEU 5 15.609 39.027 48.562 23 HG LEU 5 HG LEU 5 15.565 40.069 46.317 24 HD11 LEU 5 HD11 LEU 5 13.758 42.021 47.738 25 HD12 LEU 5 HD12 LEU 5 13.559 41.275 46.151 26 HD13 LEU 5 HD13 LEU 5 14.736 42.565 46.373 27 HD21 LEU 5 HD21 LEU 5 16.984 42.011 46.870 28 HD22 LEU 5 HD22 LEU 5 17.368 40.639 47.907 29 HD23 LEU 5 HD23 LEU 5 16.395 41.969 48.532 30 H GLN 6 HN GLN 6 12.504 39.305 45.612 31 HA GLN 6 HA GLN 6 13.221 36.802 44.449 32 HB2 GLN 6 HB2 GLN 6 11.242 38.098 43.733 33 HB3 GLN 6 HB1 GLN 6 12.305 39.355 43.104 34 HG2 GLN 6 HG2 GLN 6 13.291 37.788 41.517 35 HG3 GLN 6 HG1 GLN 6 12.347 36.464 42.197 36 HE21 GLN 6 HE21 GLN 6 11.218 36.094 40.153 37 HE22 GLN 6 HE22 GLN 6 10.048 37.185 39.587 38 H GLU 7 HN GLU 7 14.988 36.221 43.330 39 HA GLU 7 HA GLU 7 17.170 36.317 42.588 40 HB2 GLU 7 HB2 GLU 7 15.916 37.278 40.667 41 HB3 GLU 7 HB1 GLU 7 16.171 38.889 41.338 42 HG2 GLU 7 HG2 GLU 7 18.602 38.592 41.188 43 HG3 GLU 7 HG1 GLU 7 18.378 36.957 40.572 44 H LYS 8 HN LYS 8 17.895 36.684 44.820 45 HA LYS 8 HA LYS 8 18.375 39.266 45.867 46 HB2 LYS 8 HB2 LYS 8 18.368 37.160 47.214 47 HB3 LYS 8 HB1 LYS 8 19.916 36.736 46.480 48 HG2 LYS 8 HG2 LYS 8 20.928 38.781 47.367 49 HG3 LYS 8 HG1 LYS 8 19.379 39.279 48.044 50 HD2 LYS 8 HD2 LYS 8 19.362 37.287 49.493 51 HD3 LYS 8 HD1 LYS 8 20.903 36.772 48.807 52 HE2 LYS 8 HE2 LYS 8 21.284 37.919 50.938 53 HE3 LYS 8 HE1 LYS 8 21.944 38.877 49.615 54 HZ1 LYS 8 HZ1 LYS 8 20.035 40.280 49.647 55 HZ2 LYS 8 HZ2 LYS 8 20.625 40.173 51.237 56 HZ3 LYS 8 HZ3 LYS 8 19.247 39.291 50.777 57 H GLU 9 HN GLU 9 20.171 40.573 45.834 58 HA GLU 9 HA GLU 9 21.699 40.640 43.474 59 HB2 GLU 9 HB2 GLU 9 22.068 42.033 46.127 60 HB3 GLU 9 HB1 GLU 9 23.103 42.337 44.732 61 HG2 GLU 9 HG2 GLU 9 20.081 42.594 44.649 62 HG3 GLU 9 HG1 GLU 9 21.164 43.944 44.971 63 H ARG 10 HN ARG 10 22.471 39.356 46.688 64 HA ARG 10 HA ARG 10 25.203 38.950 46.388 65 HB2 ARG 10 HB2 ARG 10 23.976 38.547 48.491 66 HB3 ARG 10 HB1 ARG 10 23.226 37.121 47.774 67 HG2 ARG 10 HG2 ARG 10 25.389 36.048 47.511 68 HG3 ARG 10 HG1 ARG 10 26.220 37.507 48.055 69 HD2 ARG 10 HD2 ARG 10 24.241 35.951 49.741 70 HD3 ARG 10 HD1 ARG 10 25.990 35.759 49.842 71 HE ARG 10 HE ARG 10 25.440 38.484 50.147 72 HH11 ARG 10 HH11 ARG 10 25.338 39.392 52.226 73 HH12 ARG 10 HH12 ARG 10 25.023 38.378 53.594 74 HH21 ARG 10 HH21 ARG 10 24.793 35.470 51.720 75 HH22 ARG 10 HH22 ARG 10 24.715 36.157 53.308 76 H GLU 11 HN GLU 11 26.404 37.717 45.122 77 HA GLU 11 HA GLU 11 25.322 36.173 43.021 78 HB2 GLU 11 HB2 GLU 11 27.546 37.302 42.984 79 HB3 GLU 11 HB1 GLU 11 28.142 36.087 44.112 80 HG2 GLU 11 HG2 GLU 11 26.840 35.286 41.503 81 HG3 GLU 11 HG1 GLU 11 28.550 35.697 41.579 82 H LEU 12 HN LEU 12 26.705 35.259 46.153 83 HA LEU 12 HA LEU 12 26.826 32.482 45.725 84 HB2 LEU 12 HB2 LEU 12 26.448 34.092 48.255 85 HB3 LEU 12 HB1 LEU 12 26.709 32.352 48.245 86 HG LEU 12 HG LEU 12 28.593 34.350 46.959 87 HD11 LEU 12 HD11 LEU 12 28.508 34.699 49.386 88 HD12 LEU 12 HD12 LEU 12 30.037 33.949 48.934 89 HD13 LEU 12 HD13 LEU 12 28.759 32.974 49.658 90 HD21 LEU 12 HD21 LEU 12 30.132 32.212 47.371 91 HD22 LEU 12 HD22 LEU 12 29.112 32.312 45.943 92 HD23 LEU 12 HD23 LEU 12 28.590 31.359 47.333 93 H GLU 13 HN GLU 13 24.193 34.540 46.892 94 HA GLU 13 HA GLU 13 22.427 32.477 47.642 95 HB2 GLU 13 HB2 GLU 13 22.141 34.883 48.223 96 HB3 GLU 13 HB1 GLU 13 21.701 35.205 46.548 97 HG2 GLU 13 HG2 GLU 13 20.249 33.102 48.164 98 HG3 GLU 13 HG1 GLU 13 19.783 34.797 48.251 99 H ASP 14 HN ASP 14 22.987 34.090 44.545 100 HA ASP 14 HA ASP 14 20.835 32.989 43.112 101 HB2 ASP 14 HB2 ASP 14 22.258 34.842 42.286 102 HB3 ASP 14 HB1 ASP 14 23.586 33.703 42.073 103 H LEU 15 HN LEU 15 24.123 31.774 43.674 104 HA LEU 15 HA LEU 15 23.956 29.504 42.005 105 HB2 LEU 15 HB2 LEU 15 25.583 30.040 44.496 106 HB3 LEU 15 HB1 LEU 15 25.783 28.602 43.500 107 HG LEU 15 HG LEU 15 26.015 31.438 42.446 108 HD11 LEU 15 HD11 LEU 15 28.087 29.508 43.503 109 HD12 LEU 15 HD12 LEU 15 27.832 31.196 43.949 110 HD13 LEU 15 HD13 LEU 15 28.509 30.793 42.371 111 HD21 LEU 15 HD21 LEU 15 25.625 30.133 40.550 112 HD22 LEU 15 HD22 LEU 15 26.350 28.689 41.256 113 HD23 LEU 15 HD23 LEU 15 27.376 29.994 40.664 114 H LYS 16 HN LYS 16 23.071 30.037 45.383 115 HA LYS 16 HA LYS 16 22.529 27.377 46.080 116 HB2 LYS 16 HB2 LYS 16 22.698 29.171 47.741 117 HB3 LYS 16 HB1 LYS 16 21.258 29.937 47.084 118 HG2 LYS 16 HG2 LYS 16 20.635 28.711 49.081 119 HG3 LYS 16 HG1 LYS 16 19.947 27.878 47.696 120 HD2 LYS 16 HD2 LYS 16 21.665 26.182 47.770 121 HD3 LYS 16 HD1 LYS 16 22.586 27.094 48.969 122 HE2 LYS 16 HE2 LYS 16 20.736 26.825 50.580 123 HE3 LYS 16 HE1 LYS 16 19.819 25.921 49.375 124 HZ1 LYS 16 HZ1 LYS 16 22.460 24.893 49.705 125 HZ2 LYS 16 HZ2 LYS 16 20.966 24.089 49.810 126 HZ3 LYS 16 HZ3 LYS 16 21.603 24.885 51.169 127 H ASP 17 HN ASP 17 20.453 29.883 44.665 128 HA ASP 17 HA ASP 17 18.047 28.420 44.667 129 HB2 ASP 17 HB2 ASP 17 19.055 30.642 42.888 130 HB3 ASP 17 HB1 ASP 17 17.429 29.974 42.757 131 H ALA 18 HN ALA 18 20.694 28.596 42.325 132 HA ALA 18 HA ALA 18 19.478 27.134 40.249 133 HB1 ALA 18 HB1 ALA 18 22.393 27.386 41.025 134 HB2 ALA 18 HB2 ALA 18 21.520 28.376 39.856 135 HB3 ALA 18 HB3 ALA 18 21.821 26.673 39.517 136 H GLU 19 HN GLU 19 21.339 26.104 43.078 137 HA GLU 19 HA GLU 19 21.561 23.372 42.416 138 HB2 GLU 19 HB2 GLU 19 22.860 24.456 44.218 139 HB3 GLU 19 HB1 GLU 19 21.381 24.638 45.162 140 HG2 GLU 19 HG2 GLU 19 21.087 22.205 45.222 141 HG3 GLU 19 HG1 GLU 19 22.514 21.991 44.211 142 H LEU 20 HN LEU 20 19.073 25.180 44.187 143 HA LEU 20 HA LEU 20 17.498 22.966 44.952 144 HB2 LEU 20 HB2 LEU 20 16.778 25.857 44.435 145 HB3 LEU 20 HB1 LEU 20 15.649 24.681 45.102 146 HG LEU 20 HG LEU 20 18.348 25.321 46.330 147 HD11 LEU 20 HD11 LEU 20 15.608 26.287 47.195 148 HD12 LEU 20 HD12 LEU 20 16.775 27.271 46.312 149 HD13 LEU 20 HD13 LEU 20 17.156 26.697 47.936 150 HD21 LEU 20 HD21 LEU 20 17.763 23.242 47.223 151 HD22 LEU 20 HD22 LEU 20 16.032 23.542 47.080 152 HD23 LEU 20 HD23 LEU 20 16.959 24.309 48.367 153 H LYS 21 HN LYS 21 17.525 24.968 42.043 154 HA LYS 21 HA LYS 21 15.190 23.964 40.838 155 HB2 LYS 21 HB2 LYS 21 16.378 25.978 40.046 156 HB3 LYS 21 HB1 LYS 21 17.720 24.970 39.509 157 HG2 LYS 21 HG2 LYS 21 16.230 23.786 37.948 158 HG3 LYS 21 HG1 LYS 21 14.865 24.757 38.504 159 HD2 LYS 21 HD2 LYS 21 16.003 26.803 37.735 160 HD3 LYS 21 HD1 LYS 21 17.371 25.837 37.182 161 HE2 LYS 21 HE2 LYS 21 15.897 24.628 35.619 162 HE3 LYS 21 HE1 LYS 21 14.522 25.582 36.174 163 HZ1 LYS 21 HZ1 LYS 21 15.466 26.480 34.139 164 HZ2 LYS 21 HZ2 LYS 21 16.974 26.668 34.897 165 HZ3 LYS 21 HZ3 LYS 21 15.639 27.580 35.417 166 H ARG 22 HN ARG 22 18.563 22.864 40.684 167 HA ARG 22 HA ARG 22 18.191 20.823 38.777 168 HB2 ARG 22 HB2 ARG 22 20.204 21.147 41.007 169 HB3 ARG 22 HB1 ARG 22 20.277 19.847 39.817 170 HG2 ARG 22 HG2 ARG 22 20.368 21.503 37.997 171 HG3 ARG 22 HG1 ARG 22 20.276 22.811 39.176 172 HD2 ARG 22 HD2 ARG 22 22.383 22.047 40.199 173 HD3 ARG 22 HD1 ARG 22 22.476 20.731 39.032 174 HE ARG 22 HE ARG 22 22.256 23.160 37.620 175 HH11 ARG 22 HH11 ARG 22 24.129 24.081 36.726 176 HH12 ARG 22 HH12 ARG 22 25.686 23.633 37.339 177 HH21 ARG 22 HH21 ARG 22 24.416 21.434 39.701 178 HH22 ARG 22 HH22 ARG 22 25.849 22.135 39.024 179 H LEU 23 HN LEU 23 17.892 20.839 42.305 180 HA LEU 23 HA LEU 23 17.440 18.023 42.540 181 HB2 LEU 23 HB2 LEU 23 17.297 20.399 44.338 182 HB3 LEU 23 HB1 LEU 23 16.326 19.011 44.818 183 HG LEU 23 HG LEU 23 18.343 17.571 44.654 184 HD11 LEU 23 HD11 LEU 23 19.791 20.193 44.188 185 HD12 LEU 23 HD12 LEU 23 19.578 18.918 42.989 186 HD13 LEU 23 HD13 LEU 23 20.554 18.622 44.425 187 HD21 LEU 23 HD21 LEU 23 18.758 20.013 46.404 188 HD22 LEU 23 HD22 LEU 23 19.418 18.402 46.683 189 HD23 LEU 23 HD23 LEU 23 17.680 18.674 46.795 190 H ASN 24 HN ASN 24 15.353 20.845 42.197 191 HA ASN 24 HA ASN 24 12.885 19.608 42.711 192 HB2 ASN 24 HB2 ASN 24 13.303 22.077 42.495 193 HB3 ASN 24 HB1 ASN 24 13.371 21.851 40.748 194 HD21 ASN 24 HD21 ASN 24 11.402 23.003 40.278 195 HD22 ASN 24 HD22 ASN 24 9.880 22.432 40.769 196 H GLU 25 HN GLU 25 14.694 19.958 39.660 197 HA GLU 25 HA GLU 25 12.645 18.602 38.136 198 HB2 GLU 25 HB2 GLU 25 14.233 18.769 36.272 199 HB3 GLU 25 HB1 GLU 25 14.055 20.320 37.091 200 HG2 GLU 25 HG2 GLU 25 16.108 19.832 38.402 201 HG3 GLU 25 HG1 GLU 25 16.308 18.335 37.495 202 H GLU 26 HN GLU 26 12.699 16.540 37.302 203 HA GLU 26 HA GLU 26 14.208 14.597 38.841 204 HB2 GLU 26 HB2 GLU 26 12.185 14.267 36.611 205 HB3 GLU 26 HB1 GLU 26 12.889 12.945 37.536 206 HG2 GLU 26 HG2 GLU 26 10.880 13.340 38.680 207 HG3 GLU 26 HG1 GLU 26 12.041 14.261 39.630 208 H ARG 27 HN ARG 27 15.499 12.926 37.884 209 HA ARG 27 HA ARG 27 17.257 12.195 36.596 210 HB2 ARG 27 HB2 ARG 27 15.538 13.425 34.430 211 HB3 ARG 27 HB1 ARG 27 16.947 12.409 34.129 212 HG2 ARG 27 HG2 ARG 27 15.849 10.630 35.559 213 HG3 ARG 27 HG1 ARG 27 14.394 11.628 35.558 214 HD2 ARG 27 HD2 ARG 27 15.795 10.604 33.074 215 HD3 ARG 27 HD1 ARG 27 14.344 9.892 33.777 216 HE ARG 27 HE ARG 27 14.517 12.402 32.295 217 HH11 ARG 27 HH11 ARG 27 12.510 13.324 31.766 218 HH12 ARG 27 HH12 ARG 27 11.064 12.726 32.508 219 HH21 ARG 27 HH21 ARG 27 12.708 10.330 34.400 220 HH22 ARG 27 HH22 ARG 27 11.176 11.032 33.999 221 H HIS 28 HN HIS 28 17.637 14.712 37.889 222 HA HIS 28 HA HIS 28 18.675 16.683 36.132 223 HB2 HIS 28 HB2 HIS 28 19.639 17.679 38.123 224 HB3 HIS 28 HB1 HIS 28 18.020 17.093 38.503 225 HD2 HIS 28 HD2 HIS 28 17.926 14.990 40.379 226 HE1 HIS 28 HE1 HIS 28 22.096 14.694 40.978 227 HE2 HIS 28 HE2 HIS 28 19.826 13.909 41.807 228 H ASP 29 HN ASP 29 19.883 13.658 37.186 229 HA ASP 29 HA ASP 29 22.660 14.119 37.139 230 HB2 ASP 29 HB2 ASP 29 21.013 11.656 36.559 231 HB3 ASP 29 HB1 ASP 29 22.775 11.644 36.587 232 H HIS 30 HN HIS 30 20.359 13.328 34.570 233 HA HIS 30 HA HIS 30 22.241 12.916 32.502 234 HB2 HIS 30 HB2 HIS 30 19.349 13.797 32.481 235 HB3 HIS 30 HB1 HIS 30 20.271 13.519 31.005 236 HD2 HIS 30 HD2 HIS 30 20.571 10.828 30.309 237 HE1 HIS 30 HE1 HIS 30 18.860 9.184 33.802 238 HE2 HIS 30 HE2 HIS 30 19.762 8.644 31.490 239 H ASP 31 HN ASP 31 20.604 15.823 33.689 240 HA ASP 31 HA ASP 31 21.457 17.593 31.671 241 HB2 ASP 31 HB2 ASP 31 20.707 18.032 34.563 242 HB3 ASP 31 HB1 ASP 31 21.089 19.355 33.462 243 H LYS 32 HN LYS 32 22.964 16.596 34.718 244 HA LYS 32 HA LYS 32 25.096 18.431 34.717 245 HB2 LYS 32 HB2 LYS 32 24.519 17.051 36.666 246 HB3 LYS 32 HB1 LYS 32 25.031 15.607 35.791 247 HG2 LYS 32 HG2 LYS 32 27.308 16.353 35.704 248 HG3 LYS 32 HG1 LYS 32 26.868 17.967 36.257 249 HD2 LYS 32 HD2 LYS 32 27.790 16.890 38.167 250 HD3 LYS 32 HD1 LYS 32 26.047 16.834 38.413 251 HE2 LYS 32 HE2 LYS 32 27.074 14.658 38.927 252 HE3 LYS 32 HE1 LYS 32 26.002 14.516 37.540 253 HZ1 LYS 32 HZ1 LYS 32 28.902 15.030 37.251 254 HZ2 LYS 32 HZ2 LYS 32 27.809 14.488 36.068 255 HZ3 LYS 32 HZ3 LYS 32 28.270 13.459 37.337 256 H ARG 33 HN ARG 33 24.853 15.155 33.355 257 HA ARG 33 HA ARG 33 27.512 15.039 32.379 258 HB2 ARG 33 HB2 ARG 33 24.998 13.569 31.579 259 HB3 ARG 33 HB1 ARG 33 26.569 13.248 30.844 260 HG2 ARG 33 HG2 ARG 33 27.519 12.643 32.992 261 HG3 ARG 33 HG1 ARG 33 26.048 13.127 33.831 262 HD2 ARG 33 HD2 ARG 33 26.142 10.948 31.735 263 HD3 ARG 33 HD1 ARG 33 26.255 10.644 33.465 264 HE ARG 33 HE ARG 33 23.961 12.193 33.028 265 HH11 ARG 33 HH11 ARG 33 21.930 11.179 32.931 266 HH12 ARG 33 HH12 ARG 33 21.827 9.492 32.553 267 HH21 ARG 33 HH21 ARG 33 25.255 9.083 32.236 268 HH22 ARG 33 HH22 ARG 33 23.709 8.306 32.160 269 H GLU 34 HN GLU 34 24.483 16.171 30.957 270 HA GLU 34 HA GLU 34 25.411 16.566 28.327 271 HB2 GLU 34 HB2 GLU 34 23.022 16.607 28.947 272 HB3 GLU 34 HB1 GLU 34 23.282 18.100 29.845 273 HG2 GLU 34 HG2 GLU 34 22.368 18.605 27.630 274 HG3 GLU 34 HG1 GLU 34 24.015 19.215 27.744 275 H ALA 35 HN ALA 35 25.396 18.689 31.169 276 HA ALA 35 HA ALA 35 26.373 21.010 29.909 277 HB1 ALA 35 HB1 ALA 35 25.399 20.927 32.204 278 HB2 ALA 35 HB2 ALA 35 26.942 21.778 32.137 279 HB3 ALA 35 HB3 ALA 35 26.869 20.130 32.761 280 H GLU 36 HN GLU 36 28.034 18.250 31.379 281 HA GLU 36 HA GLU 36 30.661 19.278 31.224 282 HB2 GLU 36 HB2 GLU 36 29.624 16.436 31.202 283 HB3 GLU 36 HB1 GLU 36 31.333 16.857 31.320 284 HG2 GLU 36 HG2 GLU 36 29.223 17.885 33.233 285 HG3 GLU 36 HG1 GLU 36 30.205 16.455 33.543 286 H ARG 37 HN ARG 37 28.681 17.453 28.931 287 HA ARG 37 HA ARG 37 30.682 16.975 27.000 288 HB2 ARG 37 HB2 ARG 37 27.682 17.244 26.763 289 HB3 ARG 37 HB1 ARG 37 28.723 16.770 25.420 290 HG2 ARG 37 HG2 ARG 37 29.558 14.857 26.724 291 HG3 ARG 37 HG1 ARG 37 28.538 15.333 28.084 292 HD2 ARG 37 HD2 ARG 37 26.529 15.036 26.687 293 HD3 ARG 37 HD1 ARG 37 27.541 14.572 25.324 294 HE ARG 37 HE ARG 37 28.151 12.890 27.500 295 HH11 ARG 37 HH11 ARG 37 27.263 10.800 27.554 296 HH12 ARG 37 HH12 ARG 37 25.851 10.440 26.618 297 HH21 ARG 37 HH21 ARG 37 25.580 13.640 25.310 298 HH22 ARG 37 HH22 ARG 37 24.897 12.048 25.347 299 H LYS 38 HN LYS 38 28.469 19.686 27.504 300 HA LYS 38 HA LYS 38 29.009 21.090 25.125 301 HB2 LYS 38 HB2 LYS 38 27.136 21.597 26.666 302 HB3 LYS 38 HB1 LYS 38 28.289 22.227 27.840 303 HG2 LYS 38 HG2 LYS 38 29.062 23.890 26.138 304 HG3 LYS 38 HG1 LYS 38 27.818 23.300 25.040 305 HD2 LYS 38 HD2 LYS 38 27.168 24.329 27.809 306 HD3 LYS 38 HD1 LYS 38 27.242 25.393 26.406 307 HE2 LYS 38 HE2 LYS 38 25.558 23.877 25.279 308 HE3 LYS 38 HE1 LYS 38 25.381 23.036 26.819 309 HZ1 LYS 38 HZ1 LYS 38 23.748 24.594 26.987 310 HZ2 LYS 38 HZ2 LYS 38 24.599 25.766 26.098 311 HZ3 LYS 38 HZ3 LYS 38 25.031 25.437 27.709 312 H ALA 39 HN ALA 39 30.561 21.197 28.320 313 HA ALA 39 HA ALA 39 32.354 23.302 27.786 314 HB1 ALA 39 HB1 ALA 39 31.895 22.402 30.051 315 HB2 ALA 39 HB2 ALA 39 33.621 22.474 29.696 316 HB3 ALA 39 HB3 ALA 39 32.767 20.930 29.620 317 H LEU 40 HN LEU 40 32.624 19.804 27.284 318 HA LEU 40 HA LEU 40 35.336 19.772 26.487 319 HB2 LEU 40 HB2 LEU 40 33.030 17.932 25.830 320 HB3 LEU 40 HB1 LEU 40 34.695 17.603 25.359 321 HG LEU 40 HG LEU 40 33.808 18.090 28.219 322 HD11 LEU 40 HD11 LEU 40 32.762 16.057 27.572 323 HD12 LEU 40 HD12 LEU 40 34.243 15.567 28.394 324 HD13 LEU 40 HD13 LEU 40 34.163 15.543 26.632 325 HD21 LEU 40 HD21 LEU 40 36.106 18.496 28.241 326 HD22 LEU 40 HD22 LEU 40 36.425 17.412 26.887 327 HD23 LEU 40 HD23 LEU 40 36.101 16.755 28.490 328 H GLU 41 HN GLU 41 32.330 20.235 24.689 329 HA GLU 41 HA GLU 41 33.432 20.176 22.091 330 HB2 GLU 41 HB2 GLU 41 30.982 21.546 23.212 331 HB3 GLU 41 HB1 GLU 41 31.381 21.531 21.494 332 HG2 GLU 41 HG2 GLU 41 31.299 19.111 21.432 333 HG3 GLU 41 HG1 GLU 41 31.093 19.032 23.182 334 H ASP 42 HN ASP 42 33.008 22.797 24.428 335 HA ASP 42 HA ASP 42 33.734 24.939 22.754 336 HB2 ASP 42 HB2 ASP 42 32.687 25.211 24.979 337 HB3 ASP 42 HB1 ASP 42 34.182 24.664 25.734 338 H LYS 43 HN LYS 43 35.691 22.837 24.843 339 HA LYS 43 HA LYS 43 38.157 24.159 24.419 340 HB2 LYS 43 HB2 LYS 43 37.513 21.312 25.195 341 HB3 LYS 43 HB1 LYS 43 39.160 21.931 25.097 342 HG2 LYS 43 HG2 LYS 43 38.601 23.688 26.741 343 HG3 LYS 43 HG1 LYS 43 36.954 23.069 26.849 344 HD2 LYS 43 HD2 LYS 43 37.812 20.898 27.643 345 HD3 LYS 43 HD1 LYS 43 39.462 21.512 27.537 346 HE2 LYS 43 HE2 LYS 43 38.922 23.265 29.185 347 HE3 LYS 43 HE1 LYS 43 37.268 22.660 29.289 348 HZ1 LYS 43 HZ1 LYS 43 39.042 21.879 30.988 349 HZ2 LYS 43 HZ2 LYS 43 39.509 20.817 29.747 350 HZ3 LYS 43 HZ3 LYS 43 37.927 20.765 30.364 351 H LEU 44 HN LEU 44 36.540 21.532 22.686 352 HA LEU 44 HA LEU 44 38.666 20.902 20.933 353 HB2 LEU 44 HB2 LEU 44 35.672 20.608 20.641 354 HB3 LEU 44 HB1 LEU 44 36.825 19.973 19.472 355 HG LEU 44 HG LEU 44 36.850 19.280 22.427 356 HD11 LEU 44 HD11 LEU 44 34.827 18.362 21.587 357 HD12 LEU 44 HD12 LEU 44 35.986 17.035 21.526 358 HD13 LEU 44 HD13 LEU 44 35.573 17.913 20.053 359 HD21 LEU 44 HD21 LEU 44 38.166 17.254 21.294 360 HD22 LEU 44 HD22 LEU 44 38.998 18.753 21.685 361 HD23 LEU 44 HD23 LEU 44 38.475 18.444 20.030 362 H ALA 45 HN ALA 45 36.035 23.252 20.739 363 HA ALA 45 HA ALA 45 36.432 24.070 18.073 364 HB1 ALA 45 HB1 ALA 45 35.277 26.163 18.786 365 HB2 ALA 45 HB2 ALA 45 35.380 25.609 20.457 366 HB3 ALA 45 HB3 ALA 45 34.427 24.701 19.284 367 H ASP 46 HN ASP 46 37.898 25.152 21.109 368 HA ASP 46 HA ASP 46 39.320 27.357 20.066 369 HB2 ASP 46 HB2 ASP 46 39.814 25.567 22.447 370 HB3 ASP 46 HB1 ASP 46 40.819 26.968 22.080 371 H LYS 47 HN LYS 47 41.368 27.562 19.226 372 HA LYS 47 HA LYS 47 42.393 25.435 17.682 373 HB2 LYS 47 HB2 LYS 47 43.616 28.060 18.551 374 HB3 LYS 47 HB1 LYS 47 44.400 26.949 17.425 375 HG2 LYS 47 HG2 LYS 47 42.446 27.080 15.926 376 HG3 LYS 47 HG1 LYS 47 41.660 28.192 17.047 377 HD2 LYS 47 HD2 LYS 47 43.526 29.790 16.764 378 HD3 LYS 47 HD1 LYS 47 44.289 28.685 15.619 379 HE2 LYS 47 HE2 LYS 47 41.533 29.903 15.277 380 HE3 LYS 47 HE1 LYS 47 42.995 30.466 14.466 381 HZ1 LYS 47 HZ1 LYS 47 41.608 28.908 13.139 382 HZ2 LYS 47 HZ2 LYS 47 41.970 27.690 14.266 383 HZ3 LYS 47 HZ3 LYS 47 43.212 28.400 13.350 384 H GLN 48 HN GLN 48 43.317 26.728 20.842 385 HA GLN 48 HA GLN 48 44.964 24.307 21.305 386 HB2 GLN 48 HB2 GLN 48 45.670 27.138 22.132 387 HB3 GLN 48 HB1 GLN 48 46.592 25.688 22.524 388 HG2 GLN 48 HG2 GLN 48 46.036 26.709 19.723 389 HG3 GLN 48 HG1 GLN 48 47.565 26.872 20.584 390 HE21 GLN 48 HE21 GLN 48 48.281 24.521 21.534 391 HE22 GLN 48 HE22 GLN 48 48.210 23.274 20.385 392 H GLU 49 HN GLU 49 44.975 23.536 23.422 393 HA GLU 49 HA GLU 49 42.601 24.057 24.930 394 HB2 GLU 49 HB2 GLU 49 45.069 22.412 25.521 395 HB3 GLU 49 HB1 GLU 49 43.662 22.479 26.583 396 HG2 GLU 49 HG2 GLU 49 42.226 21.627 24.809 397 HG3 GLU 49 HG1 GLU 49 43.566 21.665 23.664 398 H HIS 50 HN HIS 50 42.350 25.100 26.884 399 HA HIS 50 HA HIS 50 44.656 26.367 28.167 400 HB2 HIS 50 HB2 HIS 50 43.969 28.013 26.476 401 HB3 HIS 50 HB1 HIS 50 42.318 27.968 27.097 402 HD2 HIS 50 HD2 HIS 50 41.874 29.763 29.157 403 HE1 HIS 50 HE1 HIS 50 45.907 30.524 30.153 404 HE2 HIS 50 HE2 HIS 50 43.499 31.165 30.645 405 H LEU 51 HN LEU 51 44.414 26.458 30.319 406 HA LEU 51 HA LEU 51 41.824 25.623 31.458 407 HB2 LEU 51 HB2 LEU 51 44.559 25.801 32.758 408 HB3 LEU 51 HB1 LEU 51 43.104 25.123 33.485 409 HG LEU 51 HG LEU 51 44.450 24.082 30.972 410 HD11 LEU 51 HD11 LEU 51 45.205 22.238 32.334 411 HD12 LEU 51 HD12 LEU 51 44.292 22.824 33.724 412 HD13 LEU 51 HD13 LEU 51 45.691 23.728 33.144 413 HD21 LEU 51 HD21 LEU 51 41.938 23.336 32.469 414 HD22 LEU 51 HD22 LEU 51 42.845 22.086 31.618 415 HD23 LEU 51 HD23 LEU 51 42.200 23.461 30.729 416 H ASP 52 HN ASP 52 42.025 26.641 34.024 417 HA ASP 52 HA ASP 52 41.418 29.451 33.557 418 HB2 ASP 52 HB2 ASP 52 40.562 29.431 35.826 419 HB3 ASP 52 HB1 ASP 52 39.953 28.018 34.968 420 H GLY 53 HN GLY 53 44.206 27.855 34.000 421 HA2 GLY 53 HA2 GLY 53 45.707 30.136 34.710 422 HA3 GLY 53 HA1 GLY 53 45.521 29.111 36.133 423 H ALA 54 HN ALA 54 48.045 29.303 35.536 424 HA ALA 54 HA ALA 54 48.749 26.699 34.424 425 HB1 ALA 54 HB1 ALA 54 48.751 28.341 32.497 426 HB2 ALA 54 HB2 ALA 54 50.289 27.530 32.791 427 HB3 ALA 54 HB3 ALA 54 50.054 29.195 33.326 428 H LEU 55 HN LEU 55 50.855 26.014 35.017 429 HA LEU 55 HA LEU 55 51.699 26.847 37.580 430 HB2 LEU 55 HB2 LEU 55 53.071 25.190 35.457 431 HB3 LEU 55 HB1 LEU 55 53.722 25.420 37.077 432 HG LEU 55 HG LEU 55 50.958 24.305 36.506 433 HD11 LEU 55 HD11 LEU 55 51.899 22.105 36.961 434 HD12 LEU 55 HD12 LEU 55 53.489 22.811 37.257 435 HD13 LEU 55 HD13 LEU 55 52.793 22.852 35.637 436 HD21 LEU 55 HD21 LEU 55 52.587 24.792 38.995 437 HD22 LEU 55 HD22 LEU 55 51.497 23.409 38.957 438 HD23 LEU 55 HD23 LEU 55 50.862 25.032 38.724 439 H ARG 56 HN ARG 56 52.879 27.587 34.332 440 HA ARG 56 HA ARG 56 55.165 29.065 35.197 441 HB2 ARG 56 HB2 ARG 56 53.647 29.054 32.580 442 HB3 ARG 56 HB1 ARG 56 55.165 29.915 32.841 443 HG2 ARG 56 HG2 ARG 56 56.309 27.831 33.374 444 HG3 ARG 56 HG1 ARG 56 54.792 26.936 33.264 445 HD2 ARG 56 HD2 ARG 56 56.040 26.660 31.187 446 HD3 ARG 56 HD1 ARG 56 54.596 27.619 30.878 447 HE ARG 56 HE ARG 56 56.812 29.309 31.477 448 HH11 ARG 56 HH11 ARG 56 57.758 30.440 29.748 449 HH12 ARG 56 HH12 ARG 56 57.473 29.918 28.121 450 HH21 ARG 56 HH21 ARG 56 55.447 27.261 29.045 451 HH22 ARG 56 HH22 ARG 56 56.165 28.119 27.724 452 H TYR 57 HN TYR 57 55.452 31.265 35.427 453 HA TYR 57 HA TYR 57 53.117 32.770 36.201 454 HB2 TYR 57 HB2 TYR 57 56.027 33.578 35.989 455 HB3 TYR 57 HB1 TYR 57 54.753 34.558 36.713 456 HD1 TYR 57 HD1 TYR 57 56.886 31.601 37.105 457 HD2 TYR 57 HD2 TYR 57 53.654 33.862 38.807 458 HE1 TYR 57 HE1 TYR 57 57.163 30.385 39.249 459 HE2 TYR 57 HE2 TYR 57 53.932 32.646 40.950 460 HH TYR 57 HH TYR 57 56.589 30.352 41.430 Start of MODEL 5 1 H1 GLY 1 HT1 GLY 1 -6.552 22.301 62.005 2 H2 GLY 1 HT2 GLY 1 -5.161 22.682 62.902 3 H3 GLY 1 HT3 GLY 1 -6.612 23.520 63.184 4 HA2 GLY 1 HA2 GLY 1 -5.968 21.720 64.842 5 HA3 GLY 1 HA1 GLY 1 -7.619 21.715 64.222 6 H SER 2 HN SER 2 -4.948 19.817 64.760 7 HA SER 2 HA SER 2 -4.867 18.118 62.511 8 HB2 SER 2 HB2 SER 2 -4.227 17.578 65.417 9 HB3 SER 2 HB1 SER 2 -3.868 16.463 64.102 10 HG SER 2 HG SER 2 -2.521 17.997 63.205 11 H ALA 3 HN ALA 3 -6.826 18.048 65.459 12 HA ALA 3 HA ALA 3 -8.041 15.539 65.057 13 HB1 ALA 3 HB1 ALA 3 -9.272 17.963 66.386 14 HB2 ALA 3 HB2 ALA 3 -8.131 16.872 67.173 15 HB3 ALA 3 HB3 ALA 3 -9.705 16.273 66.650 16 H GLY 4 HN GLY 4 -8.904 18.782 63.936 17 HA2 GLY 4 HA2 GLY 4 -11.423 18.177 62.836 18 HA3 GLY 4 HA1 GLY 4 -10.384 19.506 62.331 19 H LEU 5 HN LEU 5 -8.158 17.986 61.469 20 HA LEU 5 HA LEU 5 -9.240 16.877 58.958 21 HB2 LEU 5 HB2 LEU 5 -7.624 18.712 58.748 22 HB3 LEU 5 HB1 LEU 5 -6.450 17.804 59.696 23 HG LEU 5 HG LEU 5 -6.410 16.039 57.962 24 HD11 LEU 5 HD11 LEU 5 -8.514 16.033 56.926 25 HD12 LEU 5 HD12 LEU 5 -7.517 16.815 55.704 26 HD13 LEU 5 HD13 LEU 5 -8.549 17.787 56.754 27 HD21 LEU 5 HD21 LEU 5 -4.935 18.121 57.891 28 HD22 LEU 5 HD22 LEU 5 -6.039 18.750 56.669 29 HD23 LEU 5 HD23 LEU 5 -5.131 17.270 56.358 30 H GLN 6 HN GLN 6 -9.340 14.741 58.749 31 HA GLN 6 HA GLN 6 -7.872 13.001 60.578 32 HB2 GLN 6 HB2 GLN 6 -10.005 12.491 58.499 33 HB3 GLN 6 HB1 GLN 6 -9.240 11.218 59.448 34 HG2 GLN 6 HG2 GLN 6 -10.035 12.182 61.515 35 HG3 GLN 6 HG1 GLN 6 -10.630 13.611 60.673 36 HE21 GLN 6 HE21 GLN 6 -12.200 11.627 62.289 37 HE22 GLN 6 HE22 GLN 6 -13.381 11.019 61.233 38 H GLU 7 HN GLU 7 -7.203 14.450 57.693 39 HA GLU 7 HA GLU 7 -5.765 14.020 55.948 40 HB2 GLU 7 HB2 GLU 7 -4.504 12.338 58.130 41 HB3 GLU 7 HB1 GLU 7 -3.741 12.663 56.577 42 HG2 GLU 7 HG2 GLU 7 -2.840 14.337 57.953 43 HG3 GLU 7 HG1 GLU 7 -4.159 15.174 57.145 44 H LYS 8 HN LYS 8 -8.115 12.511 55.880 45 HA LYS 8 HA LYS 8 -7.745 9.741 55.527 46 HB2 LYS 8 HB2 LYS 8 -9.961 10.804 55.754 47 HB3 LYS 8 HB1 LYS 8 -9.750 11.572 54.180 48 HG2 LYS 8 HG2 LYS 8 -9.603 9.361 53.104 49 HG3 LYS 8 HG1 LYS 8 -9.769 8.577 54.676 50 HD2 LYS 8 HD2 LYS 8 -11.990 9.611 54.961 51 HD3 LYS 8 HD1 LYS 8 -11.824 10.401 53.393 52 HE2 LYS 8 HE2 LYS 8 -11.661 8.201 52.293 53 HE3 LYS 8 HE1 LYS 8 -11.812 7.404 53.859 54 HZ1 LYS 8 HZ1 LYS 8 -13.941 7.459 52.801 55 HZ2 LYS 8 HZ2 LYS 8 -13.833 9.133 52.540 56 HZ3 LYS 8 HZ3 LYS 8 -13.977 8.524 54.121 57 H GLU 9 HN GLU 9 -7.528 12.451 53.252 58 HA GLU 9 HA GLU 9 -7.139 10.938 50.904 59 HB2 GLU 9 HB2 GLU 9 -6.247 13.732 51.656 60 HB3 GLU 9 HB1 GLU 9 -6.055 13.053 50.043 61 HG2 GLU 9 HG2 GLU 9 -8.096 14.211 49.889 62 HG3 GLU 9 HG1 GLU 9 -8.606 12.552 50.176 63 H ARG 10 HN ARG 10 -4.867 12.152 53.326 64 HA ARG 10 HA ARG 10 -2.645 11.710 53.703 65 HB2 ARG 10 HB2 ARG 10 -3.349 9.168 52.212 66 HB3 ARG 10 HB1 ARG 10 -1.872 9.424 53.141 67 HG2 ARG 10 HG2 ARG 10 -3.344 9.946 55.140 68 HG3 ARG 10 HG1 ARG 10 -4.714 9.385 54.181 69 HD2 ARG 10 HD2 ARG 10 -2.241 7.747 54.806 70 HD3 ARG 10 HD1 ARG 10 -3.795 7.583 55.620 71 HE ARG 10 HE ARG 10 -3.139 6.693 52.918 72 HH11 ARG 10 HH11 ARG 10 -4.728 5.402 51.939 73 HH12 ARG 10 HH12 ARG 10 -6.304 5.288 52.649 74 HH21 ARG 10 HH21 ARG 10 -5.561 7.411 55.288 75 HH22 ARG 10 HH22 ARG 10 -6.774 6.424 54.545 76 H GLU 11 HN GLU 11 -3.196 13.347 51.495 77 HA GLU 11 HA GLU 11 -1.928 12.584 49.102 78 HB2 GLU 11 HB2 GLU 11 -1.933 14.903 48.506 79 HB3 GLU 11 HB1 GLU 11 -3.400 14.615 49.436 80 HG2 GLU 11 HG2 GLU 11 -2.165 15.448 51.484 81 HG3 GLU 11 HG1 GLU 11 -0.834 15.896 50.424 82 H LEU 12 HN LEU 12 -0.637 13.446 52.173 83 HA LEU 12 HA LEU 12 1.889 14.435 51.424 84 HB2 LEU 12 HB2 LEU 12 1.032 14.593 53.717 85 HB3 LEU 12 HB1 LEU 12 1.096 12.840 53.875 86 HG LEU 12 HG LEU 12 3.552 12.900 53.554 87 HD11 LEU 12 HD11 LEU 12 4.544 15.324 53.814 88 HD12 LEU 12 HD12 LEU 12 2.989 15.835 53.157 89 HD13 LEU 12 HD13 LEU 12 4.036 14.768 52.222 90 HD21 LEU 12 HD21 LEU 12 2.579 13.067 55.827 91 HD22 LEU 12 HD22 LEU 12 2.567 14.825 55.684 92 HD23 LEU 12 HD23 LEU 12 4.099 13.952 55.708 93 H GLU 13 HN GLU 13 0.742 11.131 52.036 94 HA GLU 13 HA GLU 13 3.216 9.820 51.715 95 HB2 GLU 13 HB2 GLU 13 1.217 8.742 52.688 96 HB3 GLU 13 HB1 GLU 13 0.427 8.794 51.113 97 HG2 GLU 13 HG2 GLU 13 1.395 6.575 51.492 98 HG3 GLU 13 HG1 GLU 13 2.246 7.376 50.176 99 H ASP 14 HN ASP 14 0.680 10.682 49.391 100 HA ASP 14 HA ASP 14 1.776 9.400 47.138 101 HB2 ASP 14 HB2 ASP 14 -0.523 10.318 47.235 102 HB3 ASP 14 HB1 ASP 14 0.147 11.950 47.223 103 H LEU 15 HN LEU 15 2.250 12.671 48.432 104 HA LEU 15 HA LEU 15 3.893 13.645 46.364 105 HB2 LEU 15 HB2 LEU 15 2.870 15.111 48.048 106 HB3 LEU 15 HB1 LEU 15 3.862 14.377 49.305 107 HG LEU 15 HG LEU 15 5.907 15.183 48.165 108 HD11 LEU 15 HD11 LEU 15 5.394 17.008 46.340 109 HD12 LEU 15 HD12 LEU 15 3.882 16.123 46.139 110 HD13 LEU 15 HD13 LEU 15 5.424 15.309 45.874 111 HD21 LEU 15 HD21 LEU 15 5.469 17.647 48.517 112 HD22 LEU 15 HD22 LEU 15 4.969 16.621 49.861 113 HD23 LEU 15 HD23 LEU 15 3.765 17.249 48.737 114 H LYS 16 HN LYS 16 4.676 11.991 49.408 115 HA LYS 16 HA LYS 16 7.479 12.112 49.190 116 HB2 LYS 16 HB2 LYS 16 6.297 11.475 51.261 117 HB3 LYS 16 HB1 LYS 16 5.773 9.975 50.496 118 HG2 LYS 16 HG2 LYS 16 8.120 9.283 50.213 119 HG3 LYS 16 HG1 LYS 16 8.661 10.795 50.939 120 HD2 LYS 16 HD2 LYS 16 7.496 10.212 53.032 121 HD3 LYS 16 HD1 LYS 16 6.948 8.700 52.307 122 HE2 LYS 16 HE2 LYS 16 9.287 7.989 52.003 123 HE3 LYS 16 HE1 LYS 16 9.844 9.502 52.717 124 HZ1 LYS 16 HZ1 LYS 16 9.844 7.830 54.395 125 HZ2 LYS 16 HZ2 LYS 16 8.245 7.380 54.040 126 HZ3 LYS 16 HZ3 LYS 16 8.570 8.897 54.735 127 H ASP 17 HN ASP 17 5.143 9.687 48.061 128 HA ASP 17 HA ASP 17 6.998 7.818 47.066 129 HB2 ASP 17 HB2 ASP 17 4.586 7.351 47.382 130 HB3 ASP 17 HB1 ASP 17 4.218 8.420 46.031 131 H ALA 18 HN ALA 18 5.416 10.597 45.523 132 HA ALA 18 HA ALA 18 6.419 10.196 42.922 133 HB1 ALA 18 HB1 ALA 18 5.608 12.720 44.377 134 HB2 ALA 18 HB2 ALA 18 4.624 11.761 43.273 135 HB3 ALA 18 HB3 ALA 18 6.009 12.667 42.661 136 H GLU 19 HN GLU 19 7.748 11.902 45.722 137 HA GLU 19 HA GLU 19 9.964 13.078 44.439 138 HB2 GLU 19 HB2 GLU 19 9.201 13.714 46.702 139 HB3 GLU 19 HB1 GLU 19 9.705 12.139 47.310 140 HG2 GLU 19 HG2 GLU 19 11.430 13.810 47.787 141 HG3 GLU 19 HG1 GLU 19 12.044 12.643 46.621 142 H LEU 20 HN LEU 20 9.525 9.922 45.989 143 HA LEU 20 HA LEU 20 12.191 9.044 45.833 144 HB2 LEU 20 HB2 LEU 20 10.495 7.906 47.193 145 HB3 LEU 20 HB1 LEU 20 9.629 7.433 45.736 146 HG LEU 20 HG LEU 20 11.588 6.112 44.996 147 HD11 LEU 20 HD11 LEU 20 13.327 5.718 46.933 148 HD12 LEU 20 HD12 LEU 20 12.781 7.296 47.499 149 HD13 LEU 20 HD13 LEU 20 13.498 7.133 45.895 150 HD21 LEU 20 HD21 LEU 20 11.473 4.388 46.827 151 HD22 LEU 20 HD22 LEU 20 9.894 4.961 46.290 152 HD23 LEU 20 HD23 LEU 20 10.581 5.556 47.800 153 H LYS 21 HN LYS 21 9.488 8.733 43.549 154 HA LYS 21 HA LYS 21 10.817 7.144 41.636 155 HB2 LYS 21 HB2 LYS 21 8.552 9.128 41.373 156 HB3 LYS 21 HB1 LYS 21 9.107 8.110 40.043 157 HG2 LYS 21 HG2 LYS 21 8.666 6.095 41.398 158 HG3 LYS 21 HG1 LYS 21 8.105 7.112 42.726 159 HD2 LYS 21 HD2 LYS 21 6.323 8.022 41.274 160 HD3 LYS 21 HD1 LYS 21 6.869 6.980 39.960 161 HE2 LYS 21 HE2 LYS 21 5.909 5.998 42.664 162 HE3 LYS 21 HE1 LYS 21 4.945 5.995 41.187 163 HZ1 LYS 21 HZ1 LYS 21 6.694 4.040 42.037 164 HZ2 LYS 21 HZ2 LYS 21 7.474 4.802 40.735 165 HZ3 LYS 21 HZ3 LYS 21 5.926 4.137 40.530 166 H ARG 22 HN ARG 22 10.631 10.654 42.070 167 HA ARG 22 HA ARG 22 11.921 11.389 39.667 168 HB2 ARG 22 HB2 ARG 22 11.716 12.773 42.347 169 HB3 ARG 22 HB1 ARG 22 12.448 13.517 40.924 170 HG2 ARG 22 HG2 ARG 22 10.371 13.309 39.680 171 HG3 ARG 22 HG1 ARG 22 9.628 12.409 41.003 172 HD2 ARG 22 HD2 ARG 22 8.901 14.742 41.084 173 HD3 ARG 22 HD1 ARG 22 9.913 14.383 42.480 174 HE ARG 22 HE ARG 22 11.483 15.413 40.331 175 HH11 ARG 22 HH11 ARG 22 12.236 17.546 40.524 176 HH12 ARG 22 HH12 ARG 22 11.492 18.623 41.659 177 HH21 ARG 22 HH21 ARG 22 9.207 16.274 42.792 178 HH22 ARG 22 HH22 ARG 22 9.777 17.902 42.943 179 H LEU 23 HN LEU 23 13.161 10.584 42.881 180 HA LEU 23 HA LEU 23 15.848 11.298 42.450 181 HB2 LEU 23 HB2 LEU 23 14.949 10.818 44.681 182 HB3 LEU 23 HB1 LEU 23 14.693 9.135 44.229 183 HG LEU 23 HG LEU 23 17.130 8.855 43.886 184 HD11 LEU 23 HD11 LEU 23 17.988 10.946 43.258 185 HD12 LEU 23 HD12 LEU 23 18.529 10.825 44.929 186 HD13 LEU 23 HD13 LEU 23 17.115 11.802 44.531 187 HD21 LEU 23 HD21 LEU 23 16.119 8.413 46.104 188 HD22 LEU 23 HD22 LEU 23 16.422 10.087 46.568 189 HD23 LEU 23 HD23 LEU 23 17.775 8.999 46.255 190 H ASN 24 HN ASN 24 14.122 8.240 41.931 191 HA ASN 24 HA ASN 24 16.333 6.693 41.128 192 HB2 ASN 24 HB2 ASN 24 14.115 5.756 41.713 193 HB3 ASN 24 HB1 ASN 24 13.454 6.438 40.228 194 HD21 ASN 24 HD21 ASN 24 13.335 4.893 38.604 195 HD22 ASN 24 HD22 ASN 24 14.443 3.628 38.378 196 H GLU 25 HN GLU 25 14.126 8.764 39.289 197 HA GLU 25 HA GLU 25 15.036 8.098 36.710 198 HB2 GLU 25 HB2 GLU 25 12.956 9.369 37.157 199 HB3 GLU 25 HB1 GLU 25 13.924 10.743 37.686 200 HG2 GLU 25 HG2 GLU 25 13.247 11.069 35.360 201 HG3 GLU 25 HG1 GLU 25 14.989 10.829 35.431 202 H GLU 26 HN GLU 26 16.153 10.497 39.059 203 HA GLU 26 HA GLU 26 18.065 11.757 39.180 204 HB2 GLU 26 HB2 GLU 26 19.135 9.637 37.297 205 HB3 GLU 26 HB1 GLU 26 20.107 10.800 38.195 206 HG2 GLU 26 HG2 GLU 26 19.229 9.896 40.318 207 HG3 GLU 26 HG1 GLU 26 18.272 8.721 39.417 208 H ARG 27 HN ARG 27 16.286 12.939 37.631 209 HA ARG 27 HA ARG 27 16.956 13.406 34.935 210 HB2 ARG 27 HB2 ARG 27 15.489 15.110 36.957 211 HB3 ARG 27 HB1 ARG 27 15.623 15.525 35.248 212 HG2 ARG 27 HG2 ARG 27 14.517 13.442 34.614 213 HG3 ARG 27 HG1 ARG 27 14.466 12.930 36.302 214 HD2 ARG 27 HD2 ARG 27 12.296 13.854 35.660 215 HD3 ARG 27 HD1 ARG 27 13.068 14.908 36.841 216 HE ARG 27 HE ARG 27 13.703 15.731 34.183 217 HH11 ARG 27 HH11 ARG 27 12.683 17.606 33.407 218 HH12 ARG 27 HH12 ARG 27 11.256 18.198 34.189 219 HH21 ARG 27 HH21 ARG 27 11.196 15.676 36.568 220 HH22 ARG 27 HH22 ARG 27 10.414 17.104 35.979 221 H HIS 28 HN HIS 28 17.983 14.992 37.925 222 HA HIS 28 HA HIS 28 19.336 17.176 36.764 223 HB2 HIS 28 HB2 HIS 28 19.756 15.714 39.374 224 HB3 HIS 28 HB1 HIS 28 20.626 17.182 38.937 225 HD2 HIS 28 HD2 HIS 28 17.279 17.902 37.531 226 HE1 HIS 28 HE1 HIS 28 16.869 18.958 41.596 227 HE2 HIS 28 HE2 HIS 28 15.826 19.163 39.291 228 H ASP 29 HN ASP 29 20.401 13.886 37.531 229 HA ASP 29 HA ASP 29 23.145 14.239 37.015 230 HB2 ASP 29 HB2 ASP 29 22.169 12.235 38.110 231 HB3 ASP 29 HB1 ASP 29 21.482 11.753 36.561 232 H HIS 30 HN HIS 30 20.460 13.342 34.875 233 HA HIS 30 HA HIS 30 21.971 12.849 32.555 234 HB2 HIS 30 HB2 HIS 30 19.620 12.210 32.724 235 HB3 HIS 30 HB1 HIS 30 19.143 13.905 32.819 236 HD2 HIS 30 HD2 HIS 30 18.699 15.056 30.340 237 HE1 HIS 30 HE1 HIS 30 20.662 12.153 27.986 238 HE2 HIS 30 HE2 HIS 30 19.265 14.273 27.914 239 H ASP 31 HN ASP 31 20.430 15.841 33.722 240 HA ASP 31 HA ASP 31 21.155 17.471 31.541 241 HB2 ASP 31 HB2 ASP 31 20.569 18.107 34.434 242 HB3 ASP 31 HB1 ASP 31 20.881 19.351 33.225 243 H LYS 32 HN LYS 32 22.829 16.669 34.550 244 HA LYS 32 HA LYS 32 24.972 18.488 34.278 245 HB2 LYS 32 HB2 LYS 32 24.722 15.840 35.709 246 HB3 LYS 32 HB1 LYS 32 26.188 16.809 35.772 247 HG2 LYS 32 HG2 LYS 32 23.546 18.106 36.421 248 HG3 LYS 32 HG1 LYS 32 24.325 17.098 37.636 249 HD2 LYS 32 HD2 LYS 32 25.898 19.265 36.241 250 HD3 LYS 32 HD1 LYS 32 24.839 19.669 37.589 251 HE2 LYS 32 HE2 LYS 32 26.034 17.956 38.975 252 HE3 LYS 32 HE1 LYS 32 27.158 17.709 37.641 253 HZ1 LYS 32 HZ1 LYS 32 28.125 19.272 39.107 254 HZ2 LYS 32 HZ2 LYS 32 26.707 20.204 39.172 255 HZ3 LYS 32 HZ3 LYS 32 27.618 20.136 37.739 256 H ARG 33 HN ARG 33 24.492 15.193 33.096 257 HA ARG 33 HA ARG 33 27.085 14.737 32.135 258 HB2 ARG 33 HB2 ARG 33 25.475 12.929 32.339 259 HB3 ARG 33 HB1 ARG 33 24.415 13.692 31.161 260 HG2 ARG 33 HG2 ARG 33 25.668 11.855 30.121 261 HG3 ARG 33 HG1 ARG 33 26.152 13.388 29.411 262 HD2 ARG 33 HD2 ARG 33 28.194 13.420 30.687 263 HD3 ARG 33 HD1 ARG 33 27.666 12.059 31.674 264 HE ARG 33 HE ARG 33 27.663 11.182 29.032 265 HH11 ARG 33 HH11 ARG 33 29.450 10.067 28.182 266 HH12 ARG 33 HH12 ARG 33 31.010 10.260 28.910 267 HH21 ARG 33 HH21 ARG 33 29.896 12.466 31.342 268 HH22 ARG 33 HH22 ARG 33 31.263 11.619 30.699 269 H GLU 34 HN GLU 34 24.240 16.163 30.565 270 HA GLU 34 HA GLU 34 25.428 16.541 28.022 271 HB2 GLU 34 HB2 GLU 34 23.131 17.947 29.393 272 HB3 GLU 34 HB1 GLU 34 23.618 18.291 27.734 273 HG2 GLU 34 HG2 GLU 34 22.908 15.511 28.718 274 HG3 GLU 34 HG1 GLU 34 21.755 16.596 27.945 275 H ALA 35 HN ALA 35 25.278 18.556 30.919 276 HA ALA 35 HA ALA 35 26.371 20.910 29.827 277 HB1 ALA 35 HB1 ALA 35 25.297 20.867 32.024 278 HB2 ALA 35 HB2 ALA 35 26.943 21.480 32.162 279 HB3 ALA 35 HB3 ALA 35 26.576 19.824 32.644 280 H GLU 36 HN GLU 36 27.891 18.045 31.239 281 HA GLU 36 HA GLU 36 30.537 19.009 31.288 282 HB2 GLU 36 HB2 GLU 36 29.787 16.963 32.466 283 HB3 GLU 36 HB1 GLU 36 29.572 16.160 30.911 284 HG2 GLU 36 HG2 GLU 36 31.734 15.544 31.901 285 HG3 GLU 36 HG1 GLU 36 31.983 16.471 30.425 286 H ARG 37 HN ARG 37 28.703 17.292 28.778 287 HA ARG 37 HA ARG 37 30.832 16.954 26.956 288 HB2 ARG 37 HB2 ARG 37 27.846 17.166 26.539 289 HB3 ARG 37 HB1 ARG 37 28.982 16.775 25.248 290 HG2 ARG 37 HG2 ARG 37 29.767 14.815 26.488 291 HG3 ARG 37 HG1 ARG 37 28.703 15.220 27.836 292 HD2 ARG 37 HD2 ARG 37 27.663 13.492 26.448 293 HD3 ARG 37 HD1 ARG 37 26.741 14.988 26.340 294 HE ARG 37 HE ARG 37 27.364 15.163 24.099 295 HH11 ARG 37 HH11 ARG 37 28.304 14.337 22.203 296 HH12 ARG 37 HH12 ARG 37 29.423 13.018 22.302 297 HH21 ARG 37 HH21 ARG 37 29.223 12.759 25.753 298 HH22 ARG 37 HH22 ARG 37 29.943 12.125 24.311 299 H LYS 38 HN LYS 38 28.502 19.592 27.394 300 HA LYS 38 HA LYS 38 29.247 21.086 25.113 301 HB2 LYS 38 HB2 LYS 38 28.010 21.904 27.740 302 HB3 LYS 38 HB1 LYS 38 28.252 23.029 26.403 303 HG2 LYS 38 HG2 LYS 38 26.954 21.415 24.938 304 HG3 LYS 38 HG1 LYS 38 26.557 20.516 26.399 305 HD2 LYS 38 HD2 LYS 38 25.964 23.467 26.078 306 HD3 LYS 38 HD1 LYS 38 24.811 22.208 25.640 307 HE2 LYS 38 HE2 LYS 38 24.986 21.324 27.988 308 HE3 LYS 38 HE1 LYS 38 25.982 22.723 28.390 309 HZ1 LYS 38 HZ1 LYS 38 23.488 23.304 27.034 310 HZ2 LYS 38 HZ2 LYS 38 24.238 24.105 28.332 311 HZ3 LYS 38 HZ3 LYS 38 23.336 22.692 28.609 312 H ALA 39 HN ALA 39 30.467 21.052 28.432 313 HA ALA 39 HA ALA 39 32.158 23.295 28.250 314 HB1 ALA 39 HB1 ALA 39 31.571 22.178 30.379 315 HB2 ALA 39 HB2 ALA 39 33.316 22.350 30.184 316 HB3 ALA 39 HB3 ALA 39 32.548 20.787 29.902 317 H LEU 40 HN LEU 40 32.689 19.882 27.460 318 HA LEU 40 HA LEU 40 35.459 20.061 26.929 319 HB2 LEU 40 HB2 LEU 40 33.330 18.190 25.877 320 HB3 LEU 40 HB1 LEU 40 35.048 17.988 25.547 321 HG LEU 40 HG LEU 40 33.869 18.153 28.337 322 HD11 LEU 40 HD11 LEU 40 34.407 15.648 28.325 323 HD12 LEU 40 HD12 LEU 40 34.519 15.786 26.571 324 HD13 LEU 40 HD13 LEU 40 32.999 16.149 27.388 325 HD21 LEU 40 HD21 LEU 40 36.133 18.655 28.622 326 HD22 LEU 40 HD22 LEU 40 36.632 17.720 27.213 327 HD23 LEU 40 HD23 LEU 40 36.196 16.897 28.709 328 H GLU 41 HN GLU 41 32.613 20.550 24.893 329 HA GLU 41 HA GLU 41 33.931 20.794 22.417 330 HB2 GLU 41 HB2 GLU 41 31.484 20.529 22.646 331 HB3 GLU 41 HB1 GLU 41 31.382 22.143 23.347 332 HG2 GLU 41 HG2 GLU 41 30.815 22.231 20.968 333 HG3 GLU 41 HG1 GLU 41 32.322 23.094 21.249 334 H ASP 42 HN ASP 42 33.208 23.144 24.947 335 HA ASP 42 HA ASP 42 33.963 25.481 23.588 336 HB2 ASP 42 HB2 ASP 42 34.002 24.753 26.518 337 HB3 ASP 42 HB1 ASP 42 34.402 26.366 25.927 338 H LYS 43 HN LYS 43 35.875 23.107 25.377 339 HA LYS 43 HA LYS 43 38.286 24.529 25.532 340 HB2 LYS 43 HB2 LYS 43 37.864 22.423 26.742 341 HB3 LYS 43 HB1 LYS 43 37.884 21.545 25.214 342 HG2 LYS 43 HG2 LYS 43 40.218 22.233 24.830 343 HG3 LYS 43 HG1 LYS 43 40.200 23.155 26.334 344 HD2 LYS 43 HD2 LYS 43 39.770 21.080 27.600 345 HD3 LYS 43 HD1 LYS 43 39.782 20.159 26.096 346 HE2 LYS 43 HE2 LYS 43 42.112 20.848 25.682 347 HE3 LYS 43 HE1 LYS 43 42.106 21.780 27.179 348 HZ1 LYS 43 HZ1 LYS 43 41.206 19.184 27.733 349 HZ2 LYS 43 HZ2 LYS 43 42.614 19.955 28.290 350 HZ3 LYS 43 HZ3 LYS 43 42.647 19.061 26.845 351 H LEU 44 HN LEU 44 37.075 22.349 22.972 352 HA LEU 44 HA LEU 44 39.377 22.519 21.334 353 HB2 LEU 44 HB2 LEU 44 36.488 21.876 20.720 354 HB3 LEU 44 HB1 LEU 44 37.732 21.881 19.474 355 HG LEU 44 HG LEU 44 39.047 20.264 20.970 356 HD11 LEU 44 HD11 LEU 44 37.513 18.918 22.494 357 HD12 LEU 44 HD12 LEU 44 36.356 20.240 22.359 358 HD13 LEU 44 HD13 LEU 44 37.942 20.523 23.080 359 HD21 LEU 44 HD21 LEU 44 37.798 19.587 18.932 360 HD22 LEU 44 HD22 LEU 44 36.353 19.351 19.915 361 HD23 LEU 44 HD23 LEU 44 37.770 18.332 20.170 362 H ALA 45 HN ALA 45 36.430 24.463 21.516 363 HA ALA 45 HA ALA 45 36.872 26.055 19.236 364 HB1 ALA 45 HB1 ALA 45 34.722 25.989 20.428 365 HB2 ALA 45 HB2 ALA 45 35.315 27.645 20.283 366 HB3 ALA 45 HB3 ALA 45 35.465 26.784 21.816 367 H ASP 46 HN ASP 46 37.932 26.407 22.594 368 HA ASP 46 HA ASP 46 39.446 27.829 23.584 369 HB2 ASP 46 HB2 ASP 46 40.889 26.566 21.934 370 HB3 ASP 46 HB1 ASP 46 40.711 27.937 20.842 371 H LYS 47 HN LYS 47 37.131 29.114 22.842 372 HA LYS 47 HA LYS 47 37.439 31.373 21.202 373 HB2 LYS 47 HB2 LYS 47 35.249 30.562 21.970 374 HB3 LYS 47 HB1 LYS 47 35.661 30.991 23.626 375 HG2 LYS 47 HG2 LYS 47 34.248 32.730 22.640 376 HG3 LYS 47 HG1 LYS 47 35.858 33.378 22.941 377 HD2 LYS 47 HD2 LYS 47 36.432 33.352 20.653 378 HD3 LYS 47 HD1 LYS 47 35.159 32.199 20.251 379 HE2 LYS 47 HE2 LYS 47 34.535 34.440 19.481 380 HE3 LYS 47 HE1 LYS 47 33.462 33.937 20.786 381 HZ1 LYS 47 HZ1 LYS 47 34.202 36.186 21.143 382 HZ2 LYS 47 HZ2 LYS 47 35.830 35.710 21.047 383 HZ3 LYS 47 HZ3 LYS 47 34.861 35.181 22.338 384 H GLN 48 HN GLN 48 37.960 30.922 24.683 385 HA GLN 48 HA GLN 48 38.665 33.627 25.215 386 HB2 GLN 48 HB2 GLN 48 37.915 31.991 26.950 387 HB3 GLN 48 HB1 GLN 48 39.450 31.145 26.763 388 HG2 GLN 48 HG2 GLN 48 39.583 32.667 28.669 389 HG3 GLN 48 HG1 GLN 48 40.652 33.232 27.388 390 HE21 GLN 48 HE21 GLN 48 40.525 35.468 27.222 391 HE22 GLN 48 HE22 GLN 48 39.103 36.380 27.390 392 H GLU 49 HN GLU 49 40.554 34.675 25.000 393 HA GLU 49 HA GLU 49 42.681 33.487 23.506 394 HB2 GLU 49 HB2 GLU 49 42.440 36.132 24.950 395 HB3 GLU 49 HB1 GLU 49 43.839 35.673 23.978 396 HG2 GLU 49 HG2 GLU 49 42.435 35.416 22.002 397 HG3 GLU 49 HG1 GLU 49 40.987 35.740 22.953 398 H HIS 50 HN HIS 50 44.716 32.867 24.159 399 HA HIS 50 HA HIS 50 45.518 33.098 26.947 400 HB2 HIS 50 HB2 HIS 50 44.073 31.064 26.887 401 HB3 HIS 50 HB1 HIS 50 45.165 30.366 25.692 402 HD2 HIS 50 HD2 HIS 50 47.124 28.860 26.898 403 HE1 HIS 50 HE1 HIS 50 47.183 30.806 30.643 404 HE2 HIS 50 HE2 HIS 50 48.182 28.907 29.285 405 H LEU 51 HN LEU 51 47.702 33.062 27.181 406 HA LEU 51 HA LEU 51 49.331 33.415 24.896 407 HB2 LEU 51 HB2 LEU 51 50.013 32.907 27.794 408 HB3 LEU 51 HB1 LEU 51 51.235 33.216 26.566 409 HG LEU 51 HG LEU 51 48.915 35.093 27.141 410 HD11 LEU 51 HD11 LEU 51 51.760 35.078 28.178 411 HD12 LEU 51 HD12 LEU 51 50.274 35.008 29.126 412 HD13 LEU 51 HD13 LEU 51 50.700 36.486 28.262 413 HD21 LEU 51 HD21 LEU 51 51.327 35.166 25.330 414 HD22 LEU 51 HD22 LEU 51 50.727 36.676 26.012 415 HD23 LEU 51 HD23 LEU 51 49.673 35.688 25.010 416 H ASP 52 HN ASP 52 48.797 30.632 27.016 417 HA ASP 52 HA ASP 52 49.418 28.420 26.818 418 HB2 ASP 52 HB2 ASP 52 48.021 28.776 24.735 419 HB3 ASP 52 HB1 ASP 52 49.532 29.000 23.855 420 H GLY 53 HN GLY 53 51.545 30.258 27.319 421 HA2 GLY 53 HA2 GLY 53 53.770 29.738 25.591 422 HA3 GLY 53 HA1 GLY 53 53.838 30.480 27.185 423 H ALA 54 HN ALA 54 52.190 27.880 27.931 424 HA ALA 54 HA ALA 54 54.311 26.519 29.183 425 HB1 ALA 54 HB1 ALA 54 52.115 26.249 30.074 426 HB2 ALA 54 HB2 ALA 54 52.590 24.669 29.451 427 HB3 ALA 54 HB3 ALA 54 51.483 25.685 28.527 428 H LEU 55 HN LEU 55 52.633 25.923 26.118 429 HA LEU 55 HA LEU 55 53.844 23.442 25.520 430 HB2 LEU 55 HB2 LEU 55 52.723 25.605 23.732 431 HB3 LEU 55 HB1 LEU 55 53.258 24.037 23.137 432 HG LEU 55 HG LEU 55 51.161 24.400 25.299 433 HD11 LEU 55 HD11 LEU 55 50.731 23.712 22.378 434 HD12 LEU 55 HD12 LEU 55 50.501 25.327 23.048 435 HD13 LEU 55 HD13 LEU 55 49.492 23.991 23.601 436 HD21 LEU 55 HD21 LEU 55 50.662 21.960 24.343 437 HD22 LEU 55 HD22 LEU 55 51.904 22.204 25.564 438 HD23 LEU 55 HD23 LEU 55 52.360 22.033 23.871 439 H ARG 56 HN ARG 56 54.819 26.777 24.869 440 HA ARG 56 HA ARG 56 57.083 26.097 23.266 441 HB2 ARG 56 HB2 ARG 56 56.357 28.606 24.791 442 HB3 ARG 56 HB1 ARG 56 57.766 28.472 23.739 443 HG2 ARG 56 HG2 ARG 56 56.307 27.895 21.839 444 HG3 ARG 56 HG1 ARG 56 54.893 28.014 22.887 445 HD2 ARG 56 HD2 ARG 56 55.412 30.385 23.324 446 HD3 ARG 56 HD1 ARG 56 56.826 30.268 22.280 447 HE ARG 56 HE ARG 56 54.566 29.440 20.815 448 HH11 ARG 56 HH11 ARG 56 53.612 30.896 19.355 449 HH12 ARG 56 HH12 ARG 56 53.895 32.596 19.527 450 HH21 ARG 56 HH21 ARG 56 55.934 32.245 22.310 451 HH22 ARG 56 HH22 ARG 56 55.210 33.360 21.200 452 H TYR 57 HN TYR 57 59.234 25.929 23.816 453 HA TYR 57 HA TYR 57 59.822 24.946 26.433 454 HB2 TYR 57 HB2 TYR 57 62.145 24.810 25.606 455 HB3 TYR 57 HB1 TYR 57 61.005 24.111 24.456 456 HD1 TYR 57 HD1 TYR 57 63.237 26.958 25.156 457 HD2 TYR 57 HD2 TYR 57 60.490 25.224 22.347 458 HE1 TYR 57 HE1 TYR 57 64.020 28.540 23.415 459 HE2 TYR 57 HE2 TYR 57 61.272 26.806 20.605 460 HH TYR 57 HH TYR 57 63.019 28.236 20.073 Start of MODEL 6 1 H1 GLY 1 HT1 GLY 1 53.489 7.404 43.605 2 H2 GLY 1 HT2 GLY 1 53.768 7.325 45.278 3 H3 GLY 1 HT3 GLY 1 54.284 8.678 44.392 4 HA2 GLY 1 HA2 GLY 1 51.793 8.219 45.639 5 HA3 GLY 1 HA1 GLY 1 52.380 9.682 44.847 6 H SER 2 HN SER 2 51.984 9.989 42.615 7 HA SER 2 HA SER 2 49.477 9.105 41.688 8 HB2 SER 2 HB2 SER 2 50.508 11.189 40.912 9 HB3 SER 2 HB1 SER 2 51.793 10.276 40.127 10 HG SER 2 HG SER 2 49.905 9.174 39.047 11 H ALA 3 HN ALA 3 52.774 8.064 40.876 12 HA ALA 3 HA ALA 3 52.091 6.225 38.856 13 HB1 ALA 3 HB1 ALA 3 54.300 5.387 39.072 14 HB2 ALA 3 HB2 ALA 3 54.407 5.888 40.759 15 HB3 ALA 3 HB3 ALA 3 54.411 7.101 39.477 16 H GLY 4 HN GLY 4 52.349 5.875 42.369 17 HA2 GLY 4 HA2 GLY 4 51.927 3.049 42.401 18 HA3 GLY 4 HA1 GLY 4 51.795 4.134 43.781 19 H LEU 5 HN LEU 5 50.043 1.949 43.212 20 HA LEU 5 HA LEU 5 47.627 2.773 41.985 21 HB2 LEU 5 HB2 LEU 5 48.209 0.659 44.063 22 HB3 LEU 5 HB1 LEU 5 46.612 0.899 43.366 23 HG LEU 5 HG LEU 5 49.106 0.362 41.716 24 HD11 LEU 5 HD11 LEU 5 46.975 -1.519 42.759 25 HD12 LEU 5 HD12 LEU 5 48.708 -1.582 43.082 26 HD13 LEU 5 HD13 LEU 5 48.098 -1.937 41.466 27 HD21 LEU 5 HD21 LEU 5 47.568 1.299 40.221 28 HD22 LEU 5 HD22 LEU 5 46.171 0.691 41.107 29 HD23 LEU 5 HD23 LEU 5 47.130 -0.402 40.114 30 H GLN 6 HN GLN 6 48.802 2.974 45.312 31 HA GLN 6 HA GLN 6 47.961 3.991 47.173 32 HB2 GLN 6 HB2 GLN 6 46.994 5.955 45.087 33 HB3 GLN 6 HB1 GLN 6 47.257 6.270 46.794 34 HG2 GLN 6 HG2 GLN 6 49.400 5.420 44.842 35 HG3 GLN 6 HG1 GLN 6 49.169 7.058 45.448 36 HE21 GLN 6 HE21 GLN 6 48.985 6.985 48.081 37 HE22 GLN 6 HE22 GLN 6 50.228 6.097 48.820 38 H GLU 7 HN GLU 7 46.304 1.941 46.287 39 HA GLU 7 HA GLU 7 43.601 2.688 45.927 40 HB2 GLU 7 HB2 GLU 7 44.496 0.423 45.446 41 HB3 GLU 7 HB1 GLU 7 44.698 0.157 47.178 42 HG2 GLU 7 HG2 GLU 7 42.289 0.451 47.530 43 HG3 GLU 7 HG1 GLU 7 42.064 0.790 45.815 44 H LYS 8 HN LYS 8 42.059 3.309 47.322 45 HA LYS 8 HA LYS 8 42.588 3.109 50.236 46 HB2 LYS 8 HB2 LYS 8 41.451 5.472 48.719 47 HB3 LYS 8 HB1 LYS 8 41.490 5.328 50.478 48 HG2 LYS 8 HG2 LYS 8 43.951 5.136 50.410 49 HG3 LYS 8 HG1 LYS 8 43.913 5.285 48.651 50 HD2 LYS 8 HD2 LYS 8 42.879 7.517 48.863 51 HD3 LYS 8 HD1 LYS 8 42.923 7.370 50.620 52 HE2 LYS 8 HE2 LYS 8 45.381 7.186 50.551 53 HE3 LYS 8 HE1 LYS 8 45.344 7.324 48.793 54 HZ1 LYS 8 HZ1 LYS 8 44.714 9.517 48.885 55 HZ2 LYS 8 HZ2 LYS 8 45.745 9.416 50.232 56 HZ3 LYS 8 HZ3 LYS 8 44.058 9.391 50.445 57 H GLU 9 HN GLU 9 40.790 2.785 51.540 58 HA GLU 9 HA GLU 9 38.662 1.294 50.415 59 HB2 GLU 9 HB2 GLU 9 39.036 2.535 53.142 60 HB3 GLU 9 HB1 GLU 9 37.626 1.566 52.719 61 HG2 GLU 9 HG2 GLU 9 39.008 -0.361 52.245 62 HG3 GLU 9 HG1 GLU 9 40.481 0.587 52.426 63 H ARG 10 HN ARG 10 38.929 4.659 51.464 64 HA ARG 10 HA ARG 10 36.205 5.351 51.214 65 HB2 ARG 10 HB2 ARG 10 38.726 7.002 50.976 66 HB3 ARG 10 HB1 ARG 10 37.105 7.697 50.960 67 HG2 ARG 10 HG2 ARG 10 36.641 6.829 53.170 68 HG3 ARG 10 HG1 ARG 10 38.152 5.921 53.181 69 HD2 ARG 10 HD2 ARG 10 37.993 8.938 52.965 70 HD3 ARG 10 HD1 ARG 10 38.259 8.073 54.475 71 HE ARG 10 HE ARG 10 40.176 7.167 52.645 72 HH11 ARG 10 HH11 ARG 10 42.274 8.034 52.688 73 HH12 ARG 10 HH12 ARG 10 42.549 9.586 53.406 74 HH21 ARG 10 HH21 ARG 10 39.224 10.075 54.261 75 HH22 ARG 10 HH22 ARG 10 40.822 10.742 54.295 76 H GLU 11 HN GLU 11 38.871 5.342 48.890 77 HA GLU 11 HA GLU 11 37.541 6.638 46.769 78 HB2 GLU 11 HB2 GLU 11 39.980 6.241 46.821 79 HB3 GLU 11 HB1 GLU 11 39.694 4.512 46.624 80 HG2 GLU 11 HG2 GLU 11 38.612 4.911 44.461 81 HG3 GLU 11 HG1 GLU 11 38.807 6.649 44.664 82 H LEU 12 HN LEU 12 37.747 3.218 47.688 83 HA LEU 12 HA LEU 12 36.374 2.162 45.460 84 HB2 LEU 12 HB2 LEU 12 36.664 1.158 48.296 85 HB3 LEU 12 HB1 LEU 12 35.913 0.220 47.008 86 HG LEU 12 HG LEU 12 38.726 1.348 46.860 87 HD11 LEU 12 HD11 LEU 12 37.863 -1.496 47.463 88 HD12 LEU 12 HD12 LEU 12 38.427 -0.350 48.678 89 HD13 LEU 12 HD13 LEU 12 39.517 -0.884 47.400 90 HD21 LEU 12 HD21 LEU 12 38.135 0.928 44.639 91 HD22 LEU 12 HD22 LEU 12 37.020 -0.369 45.063 92 HD23 LEU 12 HD23 LEU 12 38.759 -0.652 45.097 93 H GLU 13 HN GLU 13 35.247 3.390 48.577 94 HA GLU 13 HA GLU 13 32.535 2.627 48.293 95 HB2 GLU 13 HB2 GLU 13 33.859 4.822 49.890 96 HB3 GLU 13 HB1 GLU 13 32.127 4.500 49.961 97 HG2 GLU 13 HG2 GLU 13 32.508 2.250 50.756 98 HG3 GLU 13 HG1 GLU 13 34.245 2.398 50.502 99 H ASP 14 HN ASP 14 34.315 5.523 47.322 100 HA ASP 14 HA ASP 14 32.113 7.078 46.501 101 HB2 ASP 14 HB2 ASP 14 34.409 7.964 46.795 102 HB3 ASP 14 HB1 ASP 14 34.918 7.068 45.365 103 H LEU 15 HN LEU 15 34.123 4.737 44.749 104 HA LEU 15 HA LEU 15 32.981 5.104 42.204 105 HB2 LEU 15 HB2 LEU 15 35.080 3.883 42.553 106 HB3 LEU 15 HB1 LEU 15 34.214 2.618 43.421 107 HG LEU 15 HG LEU 15 32.911 2.106 41.378 108 HD11 LEU 15 HD11 LEU 15 34.470 4.461 40.320 109 HD12 LEU 15 HD12 LEU 15 32.756 4.089 40.136 110 HD13 LEU 15 HD13 LEU 15 33.954 3.185 39.217 111 HD21 LEU 15 HD21 LEU 15 34.697 1.023 40.177 112 HD22 LEU 15 HD22 LEU 15 35.151 1.038 41.880 113 HD23 LEU 15 HD23 LEU 15 35.876 2.195 40.765 114 H LYS 16 HN LYS 16 32.134 2.898 44.857 115 HA LYS 16 HA LYS 16 30.084 1.504 43.518 116 HB2 LYS 16 HB2 LYS 16 30.530 2.092 46.453 117 HB3 LYS 16 HB1 LYS 16 29.253 1.031 45.866 118 HG2 LYS 16 HG2 LYS 16 32.116 0.577 45.029 119 HG3 LYS 16 HG1 LYS 16 31.537 -0.023 46.579 120 HD2 LYS 16 HD2 LYS 16 29.685 -1.210 45.362 121 HD3 LYS 16 HD1 LYS 16 30.427 -0.721 43.841 122 HE2 LYS 16 HE2 LYS 16 32.504 -1.884 44.467 123 HE3 LYS 16 HE1 LYS 16 31.770 -2.375 45.994 124 HZ1 LYS 16 HZ1 LYS 16 30.239 -3.001 43.614 125 HZ2 LYS 16 HZ2 LYS 16 30.532 -3.940 44.999 126 HZ3 LYS 16 HZ3 LYS 16 31.703 -3.845 43.770 127 H ASP 17 HN ASP 17 30.060 4.495 45.406 128 HA ASP 17 HA ASP 17 27.267 4.860 45.506 129 HB2 ASP 17 HB2 ASP 17 29.565 6.819 45.562 130 HB3 ASP 17 HB1 ASP 17 27.884 7.308 45.773 131 H ALA 18 HN ALA 18 29.687 5.789 43.099 132 HA ALA 18 HA ALA 18 28.023 7.367 41.461 133 HB1 ALA 18 HB1 ALA 18 30.298 5.641 40.479 134 HB2 ALA 18 HB2 ALA 18 30.556 7.153 41.350 135 HB3 ALA 18 HB3 ALA 18 29.717 7.160 39.798 136 H GLU 19 HN GLU 19 28.665 3.889 41.522 137 HA GLU 19 HA GLU 19 27.304 3.197 39.155 138 HB2 GLU 19 HB2 GLU 19 28.818 1.664 40.369 139 HB3 GLU 19 HB1 GLU 19 27.643 1.558 41.679 140 HG2 GLU 19 HG2 GLU 19 25.982 0.605 40.150 141 HG3 GLU 19 HG1 GLU 19 27.102 0.775 38.801 142 H LEU 20 HN LEU 20 26.185 3.508 42.509 143 HA LEU 20 HA LEU 20 23.568 2.555 42.119 144 HB2 LEU 20 HB2 LEU 20 24.543 2.876 44.347 145 HB3 LEU 20 HB1 LEU 20 24.592 4.618 44.089 146 HG LEU 20 HG LEU 20 22.123 4.661 43.897 147 HD11 LEU 20 HD11 LEU 20 21.454 2.575 43.061 148 HD12 LEU 20 HD12 LEU 20 21.003 2.440 44.758 149 HD13 LEU 20 HD13 LEU 20 22.485 1.681 44.178 150 HD21 LEU 20 HD21 LEU 20 23.038 3.180 46.381 151 HD22 LEU 20 HD22 LEU 20 21.649 4.257 46.247 152 HD23 LEU 20 HD23 LEU 20 23.283 4.906 46.108 153 H LYS 21 HN LYS 21 24.915 5.838 41.910 154 HA LYS 21 HA LYS 21 22.489 7.173 41.367 155 HB2 LYS 21 HB2 LYS 21 25.353 7.844 40.669 156 HB3 LYS 21 HB1 LYS 21 24.001 8.932 40.364 157 HG2 LYS 21 HG2 LYS 21 23.422 8.894 42.763 158 HG3 LYS 21 HG1 LYS 21 24.777 7.808 43.071 159 HD2 LYS 21 HD2 LYS 21 26.343 9.525 42.220 160 HD3 LYS 21 HD1 LYS 21 24.984 10.616 41.942 161 HE2 LYS 21 HE2 LYS 21 25.747 9.449 44.635 162 HE3 LYS 21 HE1 LYS 21 26.125 11.085 44.099 163 HZ1 LYS 21 HZ1 LYS 21 23.630 11.279 43.694 164 HZ2 LYS 21 HZ2 LYS 21 24.170 11.315 45.305 165 HZ3 LYS 21 HZ3 LYS 21 23.482 9.899 44.667 166 H ARG 22 HN ARG 22 24.871 5.625 39.257 167 HA ARG 22 HA ARG 22 23.829 6.479 36.785 168 HB2 ARG 22 HB2 ARG 22 26.034 5.403 37.033 169 HB3 ARG 22 HB1 ARG 22 25.241 3.881 37.443 170 HG2 ARG 22 HG2 ARG 22 24.177 3.792 35.254 171 HG3 ARG 22 HG1 ARG 22 24.822 5.381 34.841 172 HD2 ARG 22 HD2 ARG 22 27.111 4.513 34.994 173 HD3 ARG 22 HD1 ARG 22 26.495 2.933 35.472 174 HE ARG 22 HE ARG 22 25.929 2.527 33.246 175 HH11 ARG 22 HH11 ARG 22 25.958 3.049 31.036 176 HH12 ARG 22 HH12 ARG 22 26.312 4.670 30.539 177 HH21 ARG 22 HH21 ARG 22 26.716 5.856 33.773 178 HH22 ARG 22 HH22 ARG 22 26.740 6.259 32.089 179 H LEU 23 HN LEU 23 23.106 3.625 38.770 180 HA LEU 23 HA LEU 23 21.291 2.406 36.981 181 HB2 LEU 23 HB2 LEU 23 21.541 2.270 39.992 182 HB3 LEU 23 HB1 LEU 23 20.439 1.258 39.064 183 HG LEU 23 HG LEU 23 23.431 1.386 38.577 184 HD11 LEU 23 HD11 LEU 23 23.387 -0.902 39.681 185 HD12 LEU 23 HD12 LEU 23 21.758 -0.515 40.234 186 HD13 LEU 23 HD13 LEU 23 23.125 0.462 40.768 187 HD21 LEU 23 HD21 LEU 23 22.543 0.512 36.602 188 HD22 LEU 23 HD22 LEU 23 21.148 -0.199 37.411 189 HD23 LEU 23 HD23 LEU 23 22.729 -0.966 37.539 190 H ASN 24 HN ASN 24 20.861 4.806 39.534 191 HA ASN 24 HA ASN 24 18.047 4.847 39.571 192 HB2 ASN 24 HB2 ASN 24 20.103 6.961 40.225 193 HB3 ASN 24 HB1 ASN 24 18.373 7.197 40.466 194 HD21 ASN 24 HD21 ASN 24 20.270 7.146 42.655 195 HD22 ASN 24 HD22 ASN 24 19.916 5.787 43.607 196 H GLU 25 HN GLU 25 20.396 6.564 37.564 197 HA GLU 25 HA GLU 25 20.164 7.813 35.653 198 HB2 GLU 25 HB2 GLU 25 17.605 6.208 35.430 199 HB3 GLU 25 HB1 GLU 25 18.311 7.174 34.135 200 HG2 GLU 25 HG2 GLU 25 20.367 5.815 34.237 201 HG3 GLU 25 HG1 GLU 25 19.659 4.846 35.530 202 H GLU 26 HN GLU 26 19.578 9.278 37.817 203 HA GLU 26 HA GLU 26 16.980 10.422 37.879 204 HB2 GLU 26 HB2 GLU 26 19.657 11.475 38.815 205 HB3 GLU 26 HB1 GLU 26 18.119 12.279 39.132 206 HG2 GLU 26 HG2 GLU 26 17.292 10.295 40.304 207 HG3 GLU 26 HG1 GLU 26 18.786 9.435 39.937 208 H ARG 27 HN ARG 27 16.173 12.292 36.966 209 HA ARG 27 HA ARG 27 17.007 12.962 34.366 210 HB2 ARG 27 HB2 ARG 27 14.713 13.323 35.197 211 HB3 ARG 27 HB1 ARG 27 15.307 14.585 36.274 212 HG2 ARG 27 HG2 ARG 27 16.038 15.930 34.388 213 HG3 ARG 27 HG1 ARG 27 15.634 14.635 33.261 214 HD2 ARG 27 HD2 ARG 27 13.623 15.996 35.069 215 HD3 ARG 27 HD1 ARG 27 13.893 16.440 33.386 216 HE ARG 27 HE ARG 27 13.399 13.685 33.452 217 HH11 ARG 27 HH11 ARG 27 11.318 12.901 32.991 218 HH12 ARG 27 HH12 ARG 27 9.946 13.944 33.164 219 HH21 ARG 27 HH21 ARG 27 11.821 16.673 34.196 220 HH22 ARG 27 HH22 ARG 27 10.230 16.080 33.846 221 H HIS 28 HN HIS 28 17.570 14.555 37.482 222 HA HIS 28 HA HIS 28 18.872 16.850 36.489 223 HB2 HIS 28 HB2 HIS 28 19.105 15.412 39.138 224 HB3 HIS 28 HB1 HIS 28 19.860 16.969 38.800 225 HD2 HIS 28 HD2 HIS 28 16.462 15.625 39.948 226 HE1 HIS 28 HE1 HIS 28 15.790 19.602 38.705 227 HE2 HIS 28 HE2 HIS 28 14.774 17.617 39.917 228 H ASP 29 HN ASP 29 20.086 13.645 37.386 229 HA ASP 29 HA ASP 29 22.839 14.213 37.216 230 HB2 ASP 29 HB2 ASP 29 21.275 11.665 36.788 231 HB3 ASP 29 HB1 ASP 29 23.035 11.723 36.751 232 H HIS 30 HN HIS 30 20.494 13.215 34.748 233 HA HIS 30 HA HIS 30 22.356 12.838 32.649 234 HB2 HIS 30 HB2 HIS 30 19.410 13.514 32.645 235 HB3 HIS 30 HB1 HIS 30 20.331 13.223 31.169 236 HD2 HIS 30 HD2 HIS 30 18.375 11.178 33.691 237 HE1 HIS 30 HE1 HIS 30 21.065 8.463 31.900 238 HE2 HIS 30 HE2 HIS 30 19.008 8.665 33.376 239 H ASP 31 HN ASP 31 20.563 15.667 33.781 240 HA ASP 31 HA ASP 31 21.223 17.420 31.678 241 HB2 ASP 31 HB2 ASP 31 20.567 17.909 34.585 242 HB3 ASP 31 HB1 ASP 31 20.818 19.215 33.427 243 H LYS 32 HN LYS 32 22.908 16.599 34.677 244 HA LYS 32 HA LYS 32 24.945 18.554 34.490 245 HB2 LYS 32 HB2 LYS 32 24.870 15.854 35.844 246 HB3 LYS 32 HB1 LYS 32 26.243 16.952 35.967 247 HG2 LYS 32 HG2 LYS 32 24.768 18.702 36.892 248 HG3 LYS 32 HG1 LYS 32 23.391 17.608 36.777 249 HD2 LYS 32 HD2 LYS 32 24.506 16.032 38.311 250 HD3 LYS 32 HD1 LYS 32 25.887 17.125 38.429 251 HE2 LYS 32 HE2 LYS 32 24.426 18.878 39.362 252 HE3 LYS 32 HE1 LYS 32 23.041 17.793 39.239 253 HZ1 LYS 32 HZ1 LYS 32 23.779 17.588 41.429 254 HZ2 LYS 32 HZ2 LYS 32 25.417 17.544 40.981 255 HZ3 LYS 32 HZ3 LYS 32 24.408 16.218 40.652 256 H ARG 33 HN ARG 33 24.667 15.272 33.211 257 HA ARG 33 HA ARG 33 27.315 15.047 32.234 258 HB2 ARG 33 HB2 ARG 33 24.730 13.731 31.381 259 HB3 ARG 33 HB1 ARG 33 26.287 13.324 30.668 260 HG2 ARG 33 HG2 ARG 33 25.958 13.264 33.668 261 HG3 ARG 33 HG1 ARG 33 25.387 11.910 32.697 262 HD2 ARG 33 HD2 ARG 33 27.646 11.683 31.706 263 HD3 ARG 33 HD1 ARG 33 28.217 13.008 32.709 264 HE ARG 33 HE ARG 33 27.054 11.087 34.396 265 HH11 ARG 33 HH11 ARG 33 28.401 9.638 35.511 266 HH12 ARG 33 HH12 ARG 33 30.007 9.337 34.934 267 HH21 ARG 33 HH21 ARG 33 29.725 11.491 32.232 268 HH22 ARG 33 HH22 ARG 33 30.757 10.386 33.079 269 H GLU 34 HN GLU 34 24.347 16.331 30.811 270 HA GLU 34 HA GLU 34 25.314 16.721 28.193 271 HB2 GLU 34 HB2 GLU 34 22.923 16.853 28.808 272 HB3 GLU 34 HB1 GLU 34 23.245 18.342 29.697 273 HG2 GLU 34 HG2 GLU 34 23.993 19.443 27.640 274 HG3 GLU 34 HG1 GLU 34 23.763 17.948 26.735 275 H ALA 35 HN ALA 35 25.364 18.807 31.060 276 HA ALA 35 HA ALA 35 26.434 21.106 29.833 277 HB1 ALA 35 HB1 ALA 35 26.953 21.859 32.050 278 HB2 ALA 35 HB2 ALA 35 26.951 20.210 32.674 279 HB3 ALA 35 HB3 ALA 35 25.442 20.957 32.151 280 H GLU 36 HN GLU 36 27.984 18.269 31.278 281 HA GLU 36 HA GLU 36 30.646 19.197 31.152 282 HB2 GLU 36 HB2 GLU 36 29.476 16.410 31.113 283 HB3 GLU 36 HB1 GLU 36 31.211 16.730 31.178 284 HG2 GLU 36 HG2 GLU 36 30.967 17.946 33.261 285 HG3 GLU 36 HG1 GLU 36 29.210 17.839 33.167 286 H ARG 37 HN ARG 37 28.617 17.479 28.815 287 HA ARG 37 HA ARG 37 30.600 16.930 26.895 288 HB2 ARG 37 HB2 ARG 37 28.315 15.952 26.882 289 HB3 ARG 37 HB1 ARG 37 27.667 17.524 26.418 290 HG2 ARG 37 HG2 ARG 37 29.053 17.492 24.370 291 HG3 ARG 37 HG1 ARG 37 29.689 15.913 24.831 292 HD2 ARG 37 HD2 ARG 37 26.763 16.531 24.350 293 HD3 ARG 37 HD1 ARG 37 27.826 15.732 23.197 294 HE ARG 37 HE ARG 37 26.674 14.561 25.592 295 HH11 ARG 37 HH11 ARG 37 27.071 12.341 25.861 296 HH12 ARG 37 HH12 ARG 37 28.276 11.560 24.893 297 HH21 ARG 37 HH21 ARG 37 29.143 14.440 23.170 298 HH22 ARG 37 HH22 ARG 37 29.450 12.748 23.370 299 H LYS 38 HN LYS 38 28.462 19.738 27.312 300 HA LYS 38 HA LYS 38 29.276 21.139 25.001 301 HB2 LYS 38 HB2 LYS 38 28.150 22.083 27.638 302 HB3 LYS 38 HB1 LYS 38 28.433 23.163 26.274 303 HG2 LYS 38 HG2 LYS 38 27.001 21.623 24.867 304 HG3 LYS 38 HG1 LYS 38 26.590 20.758 26.344 305 HD2 LYS 38 HD2 LYS 38 26.161 23.737 26.015 306 HD3 LYS 38 HD1 LYS 38 24.926 22.545 25.618 307 HE2 LYS 38 HE2 LYS 38 25.123 21.665 27.971 308 HE3 LYS 38 HE1 LYS 38 26.191 23.018 28.333 309 HZ1 LYS 38 HZ1 LYS 38 23.419 23.005 28.343 310 HZ2 LYS 38 HZ2 LYS 38 23.889 23.967 27.024 311 HZ3 LYS 38 HZ3 LYS 38 24.450 24.328 28.587 312 H ALA 39 HN ALA 39 30.534 21.082 28.308 313 HA ALA 39 HA ALA 39 32.380 23.194 28.059 314 HB1 ALA 39 HB1 ALA 39 32.605 20.703 29.764 315 HB2 ALA 39 HB2 ALA 39 31.739 22.171 30.218 316 HB3 ALA 39 HB3 ALA 39 33.489 22.211 30.003 317 H LEU 40 HN LEU 40 32.643 19.739 27.338 318 HA LEU 40 HA LEU 40 35.405 19.673 26.792 319 HB2 LEU 40 HB2 LEU 40 34.065 17.640 27.101 320 HB3 LEU 40 HB1 LEU 40 33.170 17.992 25.624 321 HG LEU 40 HG LEU 40 35.259 17.806 24.309 322 HD11 LEU 40 HD11 LEU 40 37.029 18.418 25.720 323 HD12 LEU 40 HD12 LEU 40 37.208 16.667 25.663 324 HD13 LEU 40 HD13 LEU 40 36.442 17.429 27.058 325 HD21 LEU 40 HD21 LEU 40 35.543 15.374 24.559 326 HD22 LEU 40 HD22 LEU 40 33.839 15.812 24.696 327 HD23 LEU 40 HD23 LEU 40 34.773 15.438 26.144 328 H GLU 41 HN GLU 41 32.608 20.272 24.688 329 HA GLU 41 HA GLU 41 34.043 20.503 22.266 330 HB2 GLU 41 HB2 GLU 41 31.404 21.698 23.139 331 HB3 GLU 41 HB1 GLU 41 32.024 21.775 21.489 332 HG2 GLU 41 HG2 GLU 41 31.637 19.185 23.009 333 HG3 GLU 41 HG1 GLU 41 30.433 19.859 21.912 334 H ASP 42 HN ASP 42 33.190 22.857 24.762 335 HA ASP 42 HA ASP 42 33.925 25.003 25.164 336 HB2 ASP 42 HB2 ASP 42 36.120 23.737 25.036 337 HB3 ASP 42 HB1 ASP 42 36.251 24.304 23.372 338 H LYS 43 HN LYS 43 32.023 24.812 23.117 339 HA LYS 43 HA LYS 43 32.775 26.014 20.678 340 HB2 LYS 43 HB2 LYS 43 30.145 25.928 22.149 341 HB3 LYS 43 HB1 LYS 43 30.316 26.659 20.556 342 HG2 LYS 43 HG2 LYS 43 31.312 24.452 19.770 343 HG3 LYS 43 HG1 LYS 43 30.813 23.765 21.312 344 HD2 LYS 43 HD2 LYS 43 28.894 25.161 19.433 345 HD3 LYS 43 HD1 LYS 43 29.185 23.425 19.391 346 HE2 LYS 43 HE2 LYS 43 28.121 24.996 21.763 347 HE3 LYS 43 HE1 LYS 43 27.203 23.900 20.741 348 HZ1 LYS 43 HZ1 LYS 43 29.141 22.278 21.424 349 HZ2 LYS 43 HZ2 LYS 43 27.758 22.479 22.391 350 HZ3 LYS 43 HZ3 LYS 43 29.198 23.291 22.783 351 H LEU 44 HN LEU 44 31.744 27.388 23.767 352 HA LEU 44 HA LEU 44 31.460 30.063 22.926 353 HB2 LEU 44 HB2 LEU 44 32.196 28.877 25.609 354 HB3 LEU 44 HB1 LEU 44 31.874 30.591 25.362 355 HG LEU 44 HG LEU 44 29.920 28.384 24.645 356 HD11 LEU 44 HD11 LEU 44 28.715 29.049 26.700 357 HD12 LEU 44 HD12 LEU 44 30.020 30.167 27.098 358 HD13 LEU 44 HD13 LEU 44 30.324 28.429 27.069 359 HD21 LEU 44 HD21 LEU 44 29.214 30.231 23.403 360 HD22 LEU 44 HD22 LEU 44 29.859 31.396 24.556 361 HD23 LEU 44 HD23 LEU 44 28.365 30.532 24.914 362 H ALA 45 HN ALA 45 34.274 28.244 24.070 363 HA ALA 45 HA ALA 45 36.523 28.735 24.042 364 HB1 ALA 45 HB1 ALA 45 37.347 29.934 22.117 365 HB2 ALA 45 HB2 ALA 45 35.767 30.662 21.836 366 HB3 ALA 45 HB3 ALA 45 35.994 28.928 21.599 367 H ASP 46 HN ASP 46 34.710 30.313 25.761 368 HA ASP 46 HA ASP 46 35.421 33.040 25.796 369 HB2 ASP 46 HB2 ASP 46 34.490 31.164 27.973 370 HB3 ASP 46 HB1 ASP 46 34.747 32.888 28.240 371 H LYS 47 HN LYS 47 36.896 30.196 27.298 372 HA LYS 47 HA LYS 47 38.852 31.665 28.783 373 HB2 LYS 47 HB2 LYS 47 38.717 28.763 27.937 374 HB3 LYS 47 HB1 LYS 47 39.952 29.424 29.009 375 HG2 LYS 47 HG2 LYS 47 38.197 30.171 30.576 376 HG3 LYS 47 HG1 LYS 47 36.962 29.500 29.509 377 HD2 LYS 47 HD2 LYS 47 37.916 27.253 29.784 378 HD3 LYS 47 HD1 LYS 47 39.186 27.908 30.818 379 HE2 LYS 47 HE2 LYS 47 37.399 26.955 32.200 380 HE3 LYS 47 HE1 LYS 47 37.451 28.705 32.408 381 HZ1 LYS 47 HZ1 LYS 47 35.591 27.191 30.659 382 HZ2 LYS 47 HZ2 LYS 47 35.680 28.885 30.738 383 HZ3 LYS 47 HZ3 LYS 47 35.193 27.992 32.099 384 H GLN 48 HN GLN 48 40.995 32.070 28.308 385 HA GLN 48 HA GLN 48 42.137 31.215 25.770 386 HB2 GLN 48 HB2 GLN 48 42.592 33.501 24.995 387 HB3 GLN 48 HB1 GLN 48 40.856 33.215 25.122 388 HG2 GLN 48 HG2 GLN 48 40.882 34.288 27.375 389 HG3 GLN 48 HG1 GLN 48 42.591 34.656 27.149 390 HE21 GLN 48 HE21 GLN 48 39.614 36.083 26.912 391 HE22 GLN 48 HE22 GLN 48 39.942 37.225 25.698 392 H GLU 49 HN GLU 49 44.410 31.767 25.590 393 HA GLU 49 HA GLU 49 46.535 31.785 26.467 394 HB2 GLU 49 HB2 GLU 49 45.298 33.835 28.321 395 HB3 GLU 49 HB1 GLU 49 47.024 33.603 28.040 396 HG2 GLU 49 HG2 GLU 49 45.021 34.296 25.874 397 HG3 GLU 49 HG1 GLU 49 46.054 35.472 26.686 398 H HIS 50 HN HIS 50 44.876 29.725 27.423 399 HA HIS 50 HA HIS 50 44.986 29.510 30.272 400 HB2 HIS 50 HB2 HIS 50 44.388 27.146 29.872 401 HB3 HIS 50 HB1 HIS 50 43.361 28.242 28.946 402 HD2 HIS 50 HD2 HIS 50 43.554 27.959 26.165 403 HE1 HIS 50 HE1 HIS 50 46.676 25.117 26.145 404 HE2 HIS 50 HE2 HIS 50 44.983 26.338 24.698 405 H LEU 51 HN LEU 51 46.374 28.260 31.552 406 HA LEU 51 HA LEU 51 49.109 28.286 30.810 407 HB2 LEU 51 HB2 LEU 51 47.614 26.993 33.090 408 HB3 LEU 51 HB1 LEU 51 49.357 26.830 32.908 409 HG LEU 51 HG LEU 51 48.695 28.696 34.434 410 HD11 LEU 51 HD11 LEU 51 50.774 28.672 32.764 411 HD12 LEU 51 HD12 LEU 51 50.407 30.087 33.745 412 HD13 LEU 51 HD13 LEU 51 49.926 30.045 32.051 413 HD21 LEU 51 HD21 LEU 51 46.616 29.235 33.012 414 HD22 LEU 51 HD22 LEU 51 47.714 30.142 31.969 415 HD23 LEU 51 HD23 LEU 51 47.522 30.602 33.659 416 H ASP 52 HN ASP 52 46.683 25.708 30.946 417 HA ASP 52 HA ASP 52 48.271 24.123 29.072 418 HB2 ASP 52 HB2 ASP 52 48.237 22.121 30.454 419 HB3 ASP 52 HB1 ASP 52 49.063 23.419 31.315 420 H GLY 53 HN GLY 53 45.452 25.458 29.815 421 HA2 GLY 53 HA2 GLY 53 43.412 25.185 28.717 422 HA3 GLY 53 HA1 GLY 53 43.938 23.594 28.169 423 H ALA 54 HN ALA 54 41.394 23.715 29.046 424 HA ALA 54 HA ALA 54 40.967 23.386 31.811 425 HB1 ALA 54 HB1 ALA 54 39.165 23.817 30.164 426 HB2 ALA 54 HB2 ALA 54 38.823 22.413 31.175 427 HB3 ALA 54 HB3 ALA 54 39.390 22.190 29.521 428 H LEU 55 HN LEU 55 41.730 21.065 29.248 429 HA LEU 55 HA LEU 55 42.217 18.810 29.325 430 HB2 LEU 55 HB2 LEU 55 43.541 19.642 31.919 431 HB3 LEU 55 HB1 LEU 55 43.930 18.218 30.955 432 HG LEU 55 HG LEU 55 44.200 21.095 30.026 433 HD11 LEU 55 HD11 LEU 55 46.674 20.424 30.036 434 HD12 LEU 55 HD12 LEU 55 46.186 19.037 31.011 435 HD13 LEU 55 HD13 LEU 55 45.926 20.674 31.615 436 HD21 LEU 55 HD21 LEU 55 44.600 18.419 28.689 437 HD22 LEU 55 HD22 LEU 55 45.585 19.796 28.198 438 HD23 LEU 55 HD23 LEU 55 43.832 19.874 28.054 439 H ARG 56 HN ARG 56 42.650 18.090 32.500 440 HA ARG 56 HA ARG 56 40.283 16.494 32.641 441 HB2 ARG 56 HB2 ARG 56 42.362 17.173 34.734 442 HB3 ARG 56 HB1 ARG 56 41.085 15.974 34.942 443 HG2 ARG 56 HG2 ARG 56 41.941 14.641 33.118 444 HG3 ARG 56 HG1 ARG 56 43.099 15.898 32.680 445 HD2 ARG 56 HD2 ARG 56 43.074 14.450 35.342 446 HD3 ARG 56 HD1 ARG 56 44.125 14.027 33.991 447 HE ARG 56 HE ARG 56 44.492 16.753 34.509 448 HH11 ARG 56 HH11 ARG 56 46.256 17.434 35.764 449 HH12 ARG 56 HH12 ARG 56 47.019 16.323 36.851 450 HH21 ARG 56 HH21 ARG 56 44.913 13.688 36.056 451 HH22 ARG 56 HH22 ARG 56 46.259 14.201 37.017 452 H TYR 57 HN TYR 57 38.460 16.745 33.904 453 HA TYR 57 HA TYR 57 38.110 18.852 35.789 454 HB2 TYR 57 HB2 TYR 57 38.060 20.276 33.819 455 HB3 TYR 57 HB1 TYR 57 36.868 19.227 33.052 456 HD1 TYR 57 HD1 TYR 57 37.441 21.428 36.010 457 HD2 TYR 57 HD2 TYR 57 34.550 19.487 33.494 458 HE1 TYR 57 HE1 TYR 57 35.620 22.680 37.136 459 HE2 TYR 57 HE2 TYR 57 32.729 20.738 34.621 460 HH TYR 57 HH TYR 57 32.946 23.332 36.133 Start of MODEL 7 1 H1 GLY 1 HT1 GLY 1 -11.483 13.588 61.634 2 H2 GLY 1 HT2 GLY 1 -12.883 12.767 62.140 3 H3 GLY 1 HT3 GLY 1 -11.489 12.755 63.112 4 HA2 GLY 1 HA2 GLY 1 -12.998 14.284 64.088 5 HA3 GLY 1 HA1 GLY 1 -11.696 15.207 63.337 6 H SER 2 HN SER 2 -12.326 15.144 60.690 7 HA SER 2 HA SER 2 -15.106 15.942 60.320 8 HB2 SER 2 HB2 SER 2 -14.048 18.018 61.101 9 HB3 SER 2 HB1 SER 2 -12.806 17.861 59.863 10 HG SER 2 HG SER 2 -14.194 18.491 58.391 11 H ALA 3 HN ALA 3 -15.721 15.983 58.137 12 HA ALA 3 HA ALA 3 -14.414 14.158 56.445 13 HB1 ALA 3 HB1 ALA 3 -15.967 14.957 54.707 14 HB2 ALA 3 HB2 ALA 3 -16.397 16.333 55.724 15 HB3 ALA 3 HB3 ALA 3 -16.805 14.695 56.235 16 H GLY 4 HN GLY 4 -14.292 17.672 56.667 17 HA2 GLY 4 HA2 GLY 4 -12.597 19.107 55.982 18 HA3 GLY 4 HA1 GLY 4 -11.753 17.729 55.283 19 H LEU 5 HN LEU 5 -11.428 19.506 53.598 20 HA LEU 5 HA LEU 5 -13.562 20.332 51.930 21 HB2 LEU 5 HB2 LEU 5 -10.593 20.087 51.427 22 HB3 LEU 5 HB1 LEU 5 -11.711 20.752 50.242 23 HG LEU 5 HG LEU 5 -11.428 21.819 53.073 24 HD11 LEU 5 HD11 LEU 5 -9.324 22.162 51.936 25 HD12 LEU 5 HD12 LEU 5 -10.191 23.699 51.947 26 HD13 LEU 5 HD13 LEU 5 -10.148 22.720 50.479 27 HD21 LEU 5 HD21 LEU 5 -13.008 22.623 50.634 28 HD22 LEU 5 HD22 LEU 5 -12.447 23.877 51.737 29 HD23 LEU 5 HD23 LEU 5 -13.502 22.599 52.326 30 H GLN 6 HN GLN 6 -11.389 17.551 51.830 31 HA GLN 6 HA GLN 6 -11.343 15.695 50.463 32 HB2 GLN 6 HB2 GLN 6 -13.360 15.327 51.901 33 HB3 GLN 6 HB1 GLN 6 -14.344 16.027 50.617 34 HG2 GLN 6 HG2 GLN 6 -13.616 14.288 49.060 35 HG3 GLN 6 HG1 GLN 6 -12.535 13.618 50.280 36 HE21 GLN 6 HE21 GLN 6 -14.276 11.769 49.424 37 HE22 GLN 6 HE22 GLN 6 -15.569 11.549 50.501 38 H GLU 7 HN GLU 7 -10.486 17.200 48.749 39 HA GLU 7 HA GLU 7 -12.190 16.993 46.352 40 HB2 GLU 7 HB2 GLU 7 -12.465 19.288 47.222 41 HB3 GLU 7 HB1 GLU 7 -10.716 19.506 47.185 42 HG2 GLU 7 HG2 GLU 7 -10.689 19.189 44.767 43 HG3 GLU 7 HG1 GLU 7 -12.420 18.854 44.764 44 H LYS 8 HN LYS 8 -11.092 16.030 44.774 45 HA LYS 8 HA LYS 8 -9.343 15.076 43.624 46 HB2 LYS 8 HB2 LYS 8 -8.233 17.820 44.206 47 HB3 LYS 8 HB1 LYS 8 -7.492 16.683 43.080 48 HG2 LYS 8 HG2 LYS 8 -9.696 16.577 41.859 49 HG3 LYS 8 HG1 LYS 8 -10.270 17.883 42.889 50 HD2 LYS 8 HD2 LYS 8 -7.764 18.098 41.204 51 HD3 LYS 8 HD1 LYS 8 -9.350 18.602 40.627 52 HE2 LYS 8 HE2 LYS 8 -9.513 20.117 42.639 53 HE3 LYS 8 HE1 LYS 8 -7.836 19.715 43.007 54 HZ1 LYS 8 HZ1 LYS 8 -7.630 20.361 40.443 55 HZ2 LYS 8 HZ2 LYS 8 -7.431 21.478 41.707 56 HZ3 LYS 8 HZ3 LYS 8 -8.917 21.373 40.887 57 H GLU 9 HN GLU 9 -9.383 14.214 46.240 58 HA GLU 9 HA GLU 9 -6.945 14.551 47.638 59 HB2 GLU 9 HB2 GLU 9 -9.012 12.351 47.693 60 HB3 GLU 9 HB1 GLU 9 -7.594 12.354 48.740 61 HG2 GLU 9 HG2 GLU 9 -8.263 14.448 49.749 62 HG3 GLU 9 HG1 GLU 9 -9.580 14.643 48.596 63 H ARG 10 HN ARG 10 -7.977 12.229 45.176 64 HA ARG 10 HA ARG 10 -5.762 10.500 45.337 65 HB2 ARG 10 HB2 ARG 10 -6.439 9.699 43.154 66 HB3 ARG 10 HB1 ARG 10 -7.879 10.000 44.125 67 HG2 ARG 10 HG2 ARG 10 -8.071 12.255 43.039 68 HG3 ARG 10 HG1 ARG 10 -6.730 11.813 41.980 69 HD2 ARG 10 HD2 ARG 10 -8.023 9.857 41.181 70 HD3 ARG 10 HD1 ARG 10 -9.372 10.342 42.206 71 HE ARG 10 HE ARG 10 -8.574 11.563 39.697 72 HH11 ARG 10 HH11 ARG 10 -9.954 13.203 38.943 73 HH12 ARG 10 HH12 ARG 10 -11.139 13.886 40.007 74 HH21 ARG 10 HH21 ARG 10 -10.255 11.894 42.703 75 HH22 ARG 10 HH22 ARG 10 -11.310 13.145 42.135 76 H GLU 11 HN GLU 11 -6.156 13.618 43.802 77 HA GLU 11 HA GLU 11 -3.931 13.468 42.047 78 HB2 GLU 11 HB2 GLU 11 -5.322 15.830 43.317 79 HB3 GLU 11 HB1 GLU 11 -4.008 15.995 42.155 80 HG2 GLU 11 HG2 GLU 11 -6.542 14.425 41.595 81 HG3 GLU 11 HG1 GLU 11 -6.316 16.109 41.135 82 H LEU 12 HN LEU 12 -4.279 14.476 45.413 83 HA LEU 12 HA LEU 12 -1.670 15.491 45.777 84 HB2 LEU 12 HB2 LEU 12 -3.630 14.256 47.718 85 HB3 LEU 12 HB1 LEU 12 -2.116 15.006 48.215 86 HG LEU 12 HG LEU 12 -4.249 16.421 46.582 87 HD11 LEU 12 HD11 LEU 12 -4.660 17.630 48.790 88 HD12 LEU 12 HD12 LEU 12 -3.732 16.344 49.563 89 HD13 LEU 12 HD13 LEU 12 -5.230 15.963 48.713 90 HD21 LEU 12 HD21 LEU 12 -1.598 17.218 47.778 91 HD22 LEU 12 HD22 LEU 12 -2.884 18.422 47.696 92 HD23 LEU 12 HD23 LEU 12 -2.301 17.659 46.221 93 H GLU 13 HN GLU 13 -3.022 12.241 46.094 94 HA GLU 13 HA GLU 13 -0.772 10.993 47.238 95 HB2 GLU 13 HB2 GLU 13 -3.008 9.945 47.113 96 HB3 GLU 13 HB1 GLU 13 -2.834 9.805 45.364 97 HG2 GLU 13 HG2 GLU 13 -0.873 8.361 45.648 98 HG3 GLU 13 HG1 GLU 13 -0.969 8.547 47.398 99 H ASP 14 HN ASP 14 -1.699 11.527 43.855 100 HA ASP 14 HA ASP 14 0.402 10.076 42.662 101 HB2 ASP 14 HB2 ASP 14 -1.592 10.888 41.439 102 HB3 ASP 14 HB1 ASP 14 -1.002 12.541 41.603 103 H LEU 15 HN LEU 15 0.161 13.480 43.642 104 HA LEU 15 HA LEU 15 2.658 14.319 42.651 105 HB2 LEU 15 HB2 LEU 15 0.918 15.895 43.365 106 HB3 LEU 15 HB1 LEU 15 1.084 15.344 45.030 107 HG LEU 15 HG LEU 15 3.432 16.132 45.058 108 HD11 LEU 15 HD11 LEU 15 3.984 17.733 43.045 109 HD12 LEU 15 HD12 LEU 15 2.798 16.758 42.178 110 HD13 LEU 15 HD13 LEU 15 4.237 16.000 42.861 111 HD21 LEU 15 HD21 LEU 15 1.532 18.271 44.053 112 HD22 LEU 15 HD22 LEU 15 2.931 18.509 45.099 113 HD23 LEU 15 HD23 LEU 15 1.524 17.631 45.697 114 H LYS 16 HN LYS 16 1.700 13.025 45.818 115 HA LYS 16 HA LYS 16 4.197 13.270 47.092 116 HB2 LYS 16 HB2 LYS 16 2.097 12.786 48.292 117 HB3 LYS 16 HB1 LYS 16 2.041 11.191 47.542 118 HG2 LYS 16 HG2 LYS 16 4.170 10.589 48.612 119 HG3 LYS 16 HG1 LYS 16 4.279 12.199 49.326 120 HD2 LYS 16 HD2 LYS 16 2.169 11.791 50.549 121 HD3 LYS 16 HD1 LYS 16 2.085 10.172 49.853 122 HE2 LYS 16 HE2 LYS 16 4.362 11.198 51.571 123 HE3 LYS 16 HE1 LYS 16 3.059 10.158 52.143 124 HZ1 LYS 16 HZ1 LYS 16 3.911 8.840 49.967 125 HZ2 LYS 16 HZ2 LYS 16 4.436 8.518 51.549 126 HZ3 LYS 16 HZ3 LYS 16 5.364 9.509 50.529 127 H ASP 17 HN ASP 17 2.785 10.619 45.193 128 HA ASP 17 HA ASP 17 4.881 8.769 45.540 129 HB2 ASP 17 HB2 ASP 17 2.862 9.144 43.325 130 HB3 ASP 17 HB1 ASP 17 4.006 7.803 43.362 131 H ALA 18 HN ALA 18 4.379 11.348 43.171 132 HA ALA 18 HA ALA 18 6.531 10.737 41.462 133 HB1 ALA 18 HB1 ALA 18 5.524 13.517 42.081 134 HB2 ALA 18 HB2 ALA 18 4.655 12.391 41.038 135 HB3 ALA 18 HB3 ALA 18 6.267 12.943 40.587 136 H GLU 19 HN GLU 19 6.346 12.685 44.412 137 HA GLU 19 HA GLU 19 8.946 13.766 44.322 138 HB2 GLU 19 HB2 GLU 19 7.176 14.574 45.846 139 HB3 GLU 19 HB1 GLU 19 7.280 13.066 46.752 140 HG2 GLU 19 HG2 GLU 19 9.621 13.533 47.313 141 HG3 GLU 19 HG1 GLU 19 9.574 15.007 46.348 142 H LEU 20 HN LEU 20 7.693 10.757 45.722 143 HA LEU 20 HA LEU 20 10.094 9.907 46.941 144 HB2 LEU 20 HB2 LEU 20 7.729 8.356 45.870 145 HB3 LEU 20 HB1 LEU 20 9.044 7.614 46.776 146 HG LEU 20 HG LEU 20 7.371 9.926 47.809 147 HD11 LEU 20 HD11 LEU 20 7.153 6.969 48.450 148 HD12 LEU 20 HD12 LEU 20 6.016 7.876 47.452 149 HD13 LEU 20 HD13 LEU 20 6.189 8.262 49.164 150 HD21 LEU 20 HD21 LEU 20 9.602 8.237 48.934 151 HD22 LEU 20 HD22 LEU 20 8.351 8.823 50.029 152 HD23 LEU 20 HD23 LEU 20 9.314 9.969 49.106 153 H LYS 21 HN LYS 21 8.784 9.442 43.691 154 HA LYS 21 HA LYS 21 10.695 7.598 42.756 155 HB2 LYS 21 HB2 LYS 21 8.580 8.147 41.587 156 HB3 LYS 21 HB1 LYS 21 9.233 9.731 41.178 157 HG2 LYS 21 HG2 LYS 21 11.124 8.607 39.987 158 HG3 LYS 21 HG1 LYS 21 10.372 7.050 40.326 159 HD2 LYS 21 HD2 LYS 21 8.914 9.260 38.864 160 HD3 LYS 21 HD1 LYS 21 9.905 8.073 38.020 161 HE2 LYS 21 HE2 LYS 21 8.521 6.264 39.121 162 HE3 LYS 21 HE1 LYS 21 7.448 7.531 39.712 163 HZ1 LYS 21 HZ1 LYS 21 7.221 6.309 37.325 164 HZ2 LYS 21 HZ2 LYS 21 8.048 7.733 36.909 165 HZ3 LYS 21 HZ3 LYS 21 6.553 7.819 37.711 166 H ARG 22 HN ARG 22 10.647 11.146 42.743 167 HA ARG 22 HA ARG 22 13.017 11.554 41.285 168 HB2 ARG 22 HB2 ARG 22 11.387 13.343 41.781 169 HB3 ARG 22 HB1 ARG 22 11.842 13.276 43.483 170 HG2 ARG 22 HG2 ARG 22 14.142 13.910 42.925 171 HG3 ARG 22 HG1 ARG 22 13.746 13.902 41.206 172 HD2 ARG 22 HD2 ARG 22 12.110 15.702 41.563 173 HD3 ARG 22 HD1 ARG 22 12.471 15.699 43.287 174 HE ARG 22 HE ARG 22 14.881 16.088 41.890 175 HH11 ARG 22 HH11 ARG 22 15.721 18.189 41.696 176 HH12 ARG 22 HH12 ARG 22 14.674 19.556 41.891 177 HH21 ARG 22 HH21 ARG 22 11.846 17.640 42.486 178 HH22 ARG 22 HH22 ARG 22 12.480 19.244 42.339 179 H LEU 23 HN LEU 23 12.452 11.180 44.772 180 HA LEU 23 HA LEU 23 15.111 11.628 45.607 181 HB2 LEU 23 HB2 LEU 23 12.869 10.015 46.837 182 HB3 LEU 23 HB1 LEU 23 14.404 10.315 47.647 183 HG LEU 23 HG LEU 23 12.585 12.509 46.604 184 HD11 LEU 23 HD11 LEU 23 11.928 12.830 48.961 185 HD12 LEU 23 HD12 LEU 23 12.899 11.432 49.423 186 HD13 LEU 23 HD13 LEU 23 11.482 11.220 48.393 187 HD21 LEU 23 HD21 LEU 23 15.188 12.439 48.125 188 HD22 LEU 23 HD22 LEU 23 14.046 13.740 48.461 189 HD23 LEU 23 HD23 LEU 23 14.676 13.526 46.832 190 H ASN 24 HN ASN 24 13.403 8.699 44.596 191 HA ASN 24 HA ASN 24 15.414 6.836 45.251 192 HB2 ASN 24 HB2 ASN 24 13.037 6.309 44.593 193 HB3 ASN 24 HB1 ASN 24 13.495 6.642 42.923 194 HD21 ASN 24 HD21 ASN 24 13.301 4.445 42.174 195 HD22 ASN 24 HD22 ASN 24 14.335 3.210 42.713 196 H GLU 25 HN GLU 25 14.833 8.755 42.332 197 HA GLU 25 HA GLU 25 17.622 8.288 41.499 198 HB2 GLU 25 HB2 GLU 25 16.213 6.661 40.264 199 HB3 GLU 25 HB1 GLU 25 15.238 7.997 39.651 200 HG2 GLU 25 HG2 GLU 25 17.204 8.958 38.545 201 HG3 GLU 25 HG1 GLU 25 18.221 7.678 39.205 202 H GLU 26 HN GLU 26 18.588 10.096 40.777 203 HA GLU 26 HA GLU 26 17.035 12.572 40.739 204 HB2 GLU 26 HB2 GLU 26 19.208 12.459 41.926 205 HB3 GLU 26 HB1 GLU 26 20.009 12.111 40.394 206 HG2 GLU 26 HG2 GLU 26 19.266 14.260 39.486 207 HG3 GLU 26 HG1 GLU 26 18.382 14.603 40.971 208 H ARG 27 HN ARG 27 16.192 13.351 38.926 209 HA ARG 27 HA ARG 27 16.948 12.283 36.340 210 HB2 ARG 27 HB2 ARG 27 14.945 14.406 37.140 211 HB3 ARG 27 HB1 ARG 27 15.152 13.788 35.501 212 HG2 ARG 27 HG2 ARG 27 14.524 11.560 36.186 213 HG3 ARG 27 HG1 ARG 27 14.529 12.028 37.886 214 HD2 ARG 27 HD2 ARG 27 12.694 13.220 35.792 215 HD3 ARG 27 HD1 ARG 27 12.231 11.934 36.901 216 HE ARG 27 HE ARG 27 13.239 14.038 38.446 217 HH11 ARG 27 HH11 ARG 27 11.810 15.504 39.429 218 HH12 ARG 27 HH12 ARG 27 10.206 15.694 38.800 219 HH21 ARG 27 HH21 ARG 27 10.638 13.370 36.263 220 HH22 ARG 27 HH22 ARG 27 9.543 14.487 37.008 221 H HIS 28 HN HIS 28 18.015 14.809 38.307 222 HA HIS 28 HA HIS 28 18.706 16.661 36.190 223 HB2 HIS 28 HB2 HIS 28 19.535 16.560 39.100 224 HB3 HIS 28 HB1 HIS 28 19.875 17.888 37.992 225 HD2 HIS 28 HD2 HIS 28 17.092 16.814 40.372 226 HE1 HIS 28 HE1 HIS 28 15.340 19.610 37.740 227 HE2 HIS 28 HE2 HIS 28 15.011 18.318 39.900 228 H ASP 29 HN ASP 29 20.001 13.780 37.384 229 HA ASP 29 HA ASP 29 22.776 14.254 37.229 230 HB2 ASP 29 HB2 ASP 29 21.127 11.756 36.821 231 HB3 ASP 29 HB1 ASP 29 22.889 11.756 36.787 232 H HIS 30 HN HIS 30 20.392 13.330 34.780 233 HA HIS 30 HA HIS 30 22.211 12.844 32.671 234 HB2 HIS 30 HB2 HIS 30 19.307 13.678 32.704 235 HB3 HIS 30 HB1 HIS 30 20.187 13.344 31.212 236 HD2 HIS 30 HD2 HIS 30 20.530 10.625 30.647 237 HE1 HIS 30 HE1 HIS 30 18.937 9.128 34.260 238 HE2 HIS 30 HE2 HIS 30 19.795 8.488 31.957 239 H ASP 31 HN ASP 31 20.575 15.776 33.786 240 HA ASP 31 HA ASP 31 21.332 17.473 31.667 241 HB2 ASP 31 HB2 ASP 31 20.686 18.022 34.565 242 HB3 ASP 31 HB1 ASP 31 21.010 19.302 33.399 243 H LYS 32 HN LYS 32 22.951 16.593 34.685 244 HA LYS 32 HA LYS 32 25.074 18.435 34.558 245 HB2 LYS 32 HB2 LYS 32 24.546 17.098 36.563 246 HB3 LYS 32 HB1 LYS 32 25.064 15.637 35.722 247 HG2 LYS 32 HG2 LYS 32 27.334 16.561 35.482 248 HG3 LYS 32 HG1 LYS 32 26.822 18.047 36.284 249 HD2 LYS 32 HD2 LYS 32 26.273 16.762 38.316 250 HD3 LYS 32 HD1 LYS 32 26.779 15.275 37.515 251 HE2 LYS 32 HE2 LYS 32 29.056 16.183 37.251 252 HE3 LYS 32 HE1 LYS 32 28.555 17.677 38.041 253 HZ1 LYS 32 HZ1 LYS 32 27.839 15.420 39.602 254 HZ2 LYS 32 HZ2 LYS 32 28.814 16.748 40.020 255 HZ3 LYS 32 HZ3 LYS 32 29.499 15.392 39.258 256 H ARG 33 HN ARG 33 24.744 15.151 33.252 257 HA ARG 33 HA ARG 33 27.371 14.938 32.221 258 HB2 ARG 33 HB2 ARG 33 24.786 13.587 31.434 259 HB3 ARG 33 HB1 ARG 33 26.336 13.199 30.690 260 HG2 ARG 33 HG2 ARG 33 27.265 12.615 32.895 261 HG3 ARG 33 HG1 ARG 33 25.730 13.019 33.661 262 HD2 ARG 33 HD2 ARG 33 24.602 11.274 32.337 263 HD3 ARG 33 HD1 ARG 33 26.131 10.872 31.561 264 HE ARG 33 HE ARG 33 26.475 10.692 34.352 265 HH11 ARG 33 HH11 ARG 33 26.434 8.643 35.332 266 HH12 ARG 33 HH12 ARG 33 25.679 7.314 34.517 267 HH21 ARG 33 HH21 ARG 33 24.775 9.184 31.742 268 HH22 ARG 33 HH22 ARG 33 24.740 7.620 32.484 269 H GLU 34 HN GLU 34 24.366 16.192 30.844 270 HA GLU 34 HA GLU 34 25.285 16.575 28.206 271 HB2 GLU 34 HB2 GLU 34 22.903 16.685 28.857 272 HB3 GLU 34 HB1 GLU 34 23.222 18.179 29.738 273 HG2 GLU 34 HG2 GLU 34 23.927 19.281 27.668 274 HG3 GLU 34 HG1 GLU 34 23.697 17.783 26.769 275 H ALA 35 HN ALA 35 25.349 18.678 31.056 276 HA ALA 35 HA ALA 35 26.396 20.976 29.804 277 HB1 ALA 35 HB1 ALA 35 27.223 21.515 32.150 278 HB2 ALA 35 HB2 ALA 35 26.551 19.961 32.644 279 HB3 ALA 35 HB3 ALA 35 25.493 21.214 31.996 280 H GLU 36 HN GLU 36 27.946 18.141 31.227 281 HA GLU 36 HA GLU 36 30.604 19.048 31.164 282 HB2 GLU 36 HB2 GLU 36 29.880 17.029 32.379 283 HB3 GLU 36 HB1 GLU 36 29.555 16.224 30.847 284 HG2 GLU 36 HG2 GLU 36 31.745 15.541 31.703 285 HG3 GLU 36 HG1 GLU 36 31.952 16.473 30.226 286 H ARG 37 HN ARG 37 28.667 17.356 28.698 287 HA ARG 37 HA ARG 37 30.758 17.003 26.836 288 HB2 ARG 37 HB2 ARG 37 27.767 17.241 26.462 289 HB3 ARG 37 HB1 ARG 37 28.878 16.878 25.141 290 HG2 ARG 37 HG2 ARG 37 29.738 14.939 26.542 291 HG3 ARG 37 HG1 ARG 37 28.389 15.238 27.639 292 HD2 ARG 37 HD2 ARG 37 28.094 14.701 24.674 293 HD3 ARG 37 HD1 ARG 37 27.902 13.478 25.925 294 HE ARG 37 HE ARG 37 26.045 15.643 25.300 295 HH11 ARG 37 HH11 ARG 37 24.023 15.459 26.318 296 HH12 ARG 37 HH12 ARG 37 23.812 14.336 27.619 297 HH21 ARG 37 HH21 ARG 37 27.081 13.185 27.508 298 HH22 ARG 37 HH22 ARG 37 25.542 13.047 28.292 299 H LYS 38 HN LYS 38 28.495 19.682 27.355 300 HA LYS 38 HA LYS 38 29.221 21.192 25.079 301 HB2 LYS 38 HB2 LYS 38 28.082 22.010 27.755 302 HB3 LYS 38 HB1 LYS 38 28.327 23.141 26.423 303 HG2 LYS 38 HG2 LYS 38 26.890 21.751 24.974 304 HG3 LYS 38 HG1 LYS 38 26.636 20.625 26.309 305 HD2 LYS 38 HD2 LYS 38 25.611 22.422 27.644 306 HD3 LYS 38 HD1 LYS 38 25.877 23.561 26.323 307 HE2 LYS 38 HE2 LYS 38 24.439 22.204 24.853 308 HE3 LYS 38 HE1 LYS 38 24.177 21.055 26.163 309 HZ1 LYS 38 HZ1 LYS 38 23.636 23.662 27.077 310 HZ2 LYS 38 HZ2 LYS 38 22.580 22.336 26.963 311 HZ3 LYS 38 HZ3 LYS 38 22.768 23.391 25.646 312 H ALA 39 HN ALA 39 30.528 21.056 28.361 313 HA ALA 39 HA ALA 39 32.287 23.247 28.178 314 HB1 ALA 39 HB1 ALA 39 31.644 21.922 30.260 315 HB2 ALA 39 HB2 ALA 39 33.343 22.376 30.121 316 HB3 ALA 39 HB3 ALA 39 32.835 20.728 29.747 317 H LEU 40 HN LEU 40 32.682 19.838 27.298 318 HA LEU 40 HA LEU 40 35.440 19.933 26.700 319 HB2 LEU 40 HB2 LEU 40 33.220 18.171 25.648 320 HB3 LEU 40 HB1 LEU 40 34.922 17.918 25.269 321 HG LEU 40 HG LEU 40 33.817 18.038 28.093 322 HD11 LEU 40 HD11 LEU 40 34.592 15.591 26.479 323 HD12 LEU 40 HD12 LEU 40 32.929 16.115 26.744 324 HD13 LEU 40 HD13 LEU 40 33.924 15.615 28.112 325 HD21 LEU 40 HD21 LEU 40 36.105 18.450 28.329 326 HD22 LEU 40 HD22 LEU 40 36.533 17.533 26.885 327 HD23 LEU 40 HD23 LEU 40 36.100 16.690 28.371 328 H GLU 41 HN GLU 41 32.561 20.581 24.755 329 HA GLU 41 HA GLU 41 33.844 20.860 22.259 330 HB2 GLU 41 HB2 GLU 41 31.397 20.649 22.515 331 HB3 GLU 41 HB1 GLU 41 31.342 22.235 23.282 332 HG2 GLU 41 HG2 GLU 41 30.738 22.429 20.916 333 HG3 GLU 41 HG1 GLU 41 32.268 23.250 21.206 334 H ASP 42 HN ASP 42 33.147 23.187 24.841 335 HA ASP 42 HA ASP 42 34.035 25.507 23.513 336 HB2 ASP 42 HB2 ASP 42 33.905 24.779 26.442 337 HB3 ASP 42 HB1 ASP 42 34.388 26.376 25.871 338 H LYS 43 HN LYS 43 35.754 23.099 25.456 339 HA LYS 43 HA LYS 43 38.216 24.428 25.640 340 HB2 LYS 43 HB2 LYS 43 37.678 22.451 26.984 341 HB3 LYS 43 HB1 LYS 43 37.619 21.458 25.534 342 HG2 LYS 43 HG2 LYS 43 39.757 21.104 26.626 343 HG3 LYS 43 HG1 LYS 43 40.047 21.989 25.135 344 HD2 LYS 43 HD2 LYS 43 40.319 24.067 26.336 345 HD3 LYS 43 HD1 LYS 43 39.761 23.331 27.839 346 HE2 LYS 43 HE2 LYS 43 41.719 21.830 27.820 347 HE3 LYS 43 HE1 LYS 43 42.268 22.567 26.315 348 HZ1 LYS 43 HZ1 LYS 43 43.435 23.763 27.860 349 HZ2 LYS 43 HZ2 LYS 43 42.196 23.702 29.022 350 HZ3 LYS 43 HZ3 LYS 43 42.062 24.745 27.686 351 H LEU 44 HN LEU 44 36.968 22.171 23.201 352 HA LEU 44 HA LEU 44 39.299 22.046 21.620 353 HB2 LEU 44 HB2 LEU 44 37.451 20.445 21.391 354 HB3 LEU 44 HB1 LEU 44 36.397 21.730 20.806 355 HG LEU 44 HG LEU 44 37.884 22.064 18.855 356 HD11 LEU 44 HD11 LEU 44 39.576 20.072 18.524 357 HD12 LEU 44 HD12 LEU 44 39.507 19.962 20.283 358 HD13 LEU 44 HD13 LEU 44 40.050 21.453 19.511 359 HD21 LEU 44 HD21 LEU 44 35.982 20.377 18.887 360 HD22 LEU 44 HD22 LEU 44 37.200 19.130 19.157 361 HD23 LEU 44 HD23 LEU 44 37.227 20.082 17.673 362 H ALA 45 HN ALA 45 36.485 24.194 21.521 363 HA ALA 45 HA ALA 45 37.521 25.688 19.255 364 HB1 ALA 45 HB1 ALA 45 35.113 26.144 21.029 365 HB2 ALA 45 HB2 ALA 45 35.117 25.357 19.451 366 HB3 ALA 45 HB3 ALA 45 35.495 27.075 19.581 367 H ASP 46 HN ASP 46 38.954 25.595 21.946 368 HA ASP 46 HA ASP 46 38.748 28.298 22.961 369 HB2 ASP 46 HB2 ASP 46 40.515 27.666 24.481 370 HB3 ASP 46 HB1 ASP 46 39.355 26.343 24.398 371 H LYS 47 HN LYS 47 39.997 27.121 20.183 372 HA LYS 47 HA LYS 47 42.561 28.381 20.084 373 HB2 LYS 47 HB2 LYS 47 40.690 27.447 17.899 374 HB3 LYS 47 HB1 LYS 47 42.327 28.039 17.613 375 HG2 LYS 47 HG2 LYS 47 43.225 26.269 19.081 376 HG3 LYS 47 HG1 LYS 47 41.590 25.674 19.364 377 HD2 LYS 47 HD2 LYS 47 41.332 25.225 16.951 378 HD3 LYS 47 HD1 LYS 47 42.968 25.818 16.666 379 HE2 LYS 47 HE2 LYS 47 43.872 24.049 18.126 380 HE3 LYS 47 HE1 LYS 47 42.239 23.455 18.421 381 HZ1 LYS 47 HZ1 LYS 47 43.443 22.234 16.660 382 HZ2 LYS 47 HZ2 LYS 47 43.474 23.655 15.731 383 HZ3 LYS 47 HZ3 LYS 47 41.991 22.926 16.124 384 H GLN 48 HN GLN 48 43.158 30.346 19.214 385 HA GLN 48 HA GLN 48 41.337 32.491 19.488 386 HB2 GLN 48 HB2 GLN 48 43.140 33.885 18.559 387 HB3 GLN 48 HB1 GLN 48 43.735 32.806 19.815 388 HG2 GLN 48 HG2 GLN 48 43.862 31.818 16.977 389 HG3 GLN 48 HG1 GLN 48 45.002 33.070 17.452 390 HE21 GLN 48 HE21 GLN 48 46.852 31.645 17.411 391 HE22 GLN 48 HE22 GLN 48 47.056 30.408 18.555 392 H GLU 49 HN GLU 49 42.085 30.409 16.841 393 HA GLU 49 HA GLU 49 41.342 30.317 14.672 394 HB2 GLU 49 HB2 GLU 49 39.114 31.962 15.890 395 HB3 GLU 49 HB1 GLU 49 39.059 31.251 14.278 396 HG2 GLU 49 HG2 GLU 49 39.355 29.009 15.238 397 HG3 GLU 49 HG1 GLU 49 39.455 29.703 16.855 398 H HIS 50 HN HIS 50 43.284 32.294 15.195 399 HA HIS 50 HA HIS 50 44.213 34.210 14.328 400 HB2 HIS 50 HB2 HIS 50 43.902 32.718 12.313 401 HB3 HIS 50 HB1 HIS 50 42.430 33.621 11.967 402 HD2 HIS 50 HD2 HIS 50 46.272 34.028 11.597 403 HE1 HIS 50 HE1 HIS 50 44.517 37.690 10.441 404 HE2 HIS 50 HE2 HIS 50 46.681 36.363 10.499 405 H LEU 51 HN LEU 51 43.227 35.664 15.820 406 HA LEU 51 HA LEU 51 40.715 36.947 15.084 407 HB2 LEU 51 HB2 LEU 51 42.650 37.568 17.337 408 HB3 LEU 51 HB1 LEU 51 41.053 38.283 17.131 409 HG LEU 51 HG LEU 51 41.605 35.325 17.527 410 HD11 LEU 51 HD11 LEU 51 40.576 35.688 19.745 411 HD12 LEU 51 HD12 LEU 51 40.460 37.413 19.401 412 HD13 LEU 51 HD13 LEU 51 42.042 36.649 19.550 413 HD21 LEU 51 HD21 LEU 51 39.113 36.939 17.005 414 HD22 LEU 51 HD22 LEU 51 39.008 35.487 18.002 415 HD23 LEU 51 HD23 LEU 51 39.584 35.374 16.342 416 H ASP 52 HN ASP 52 41.132 39.599 15.753 417 HA ASP 52 HA ASP 52 42.660 40.526 13.440 418 HB2 ASP 52 HB2 ASP 52 41.592 42.672 13.857 419 HB3 ASP 52 HB1 ASP 52 40.380 41.394 13.860 420 H GLY 53 HN GLY 53 43.553 39.688 16.410 421 HA2 GLY 53 HA2 GLY 53 45.577 40.099 17.486 422 HA3 GLY 53 HA1 GLY 53 45.850 41.461 16.404 423 H ALA 54 HN ALA 54 42.772 41.740 17.591 424 HA ALA 54 HA ALA 54 43.338 44.038 19.138 425 HB1 ALA 54 HB1 ALA 54 40.849 42.314 19.110 426 HB2 ALA 54 HB2 ALA 54 41.168 43.679 18.039 427 HB3 ALA 54 HB3 ALA 54 40.962 43.945 19.770 428 H LEU 55 HN LEU 55 43.451 44.369 21.332 429 HA LEU 55 HA LEU 55 44.479 42.294 22.945 430 HB2 LEU 55 HB2 LEU 55 43.345 45.006 23.650 431 HB3 LEU 55 HB1 LEU 55 44.116 43.944 24.823 432 HG LEU 55 HG LEU 55 45.449 44.893 22.270 433 HD11 LEU 55 HD11 LEU 55 45.112 46.847 23.595 434 HD12 LEU 55 HD12 LEU 55 46.772 46.341 23.911 435 HD13 LEU 55 HD13 LEU 55 45.505 45.991 25.087 436 HD21 LEU 55 HD21 LEU 55 46.303 43.214 24.624 437 HD22 LEU 55 HD22 LEU 55 47.501 44.243 23.843 438 HD23 LEU 55 HD23 LEU 55 46.667 43.007 22.911 439 H ARG 56 HN ARG 56 41.248 43.702 22.666 440 HA ARG 56 HA ARG 56 40.135 42.233 24.837 441 HB2 ARG 56 HB2 ARG 56 39.086 44.291 24.080 442 HB3 ARG 56 HB1 ARG 56 38.841 43.616 22.475 443 HG2 ARG 56 HG2 ARG 56 36.751 43.552 23.760 444 HG3 ARG 56 HG1 ARG 56 37.302 41.917 23.432 445 HD2 ARG 56 HD2 ARG 56 38.131 41.664 25.680 446 HD3 ARG 56 HD1 ARG 56 37.898 43.379 26.019 447 HE ARG 56 HE ARG 56 35.407 42.363 25.309 448 HH11 ARG 56 HH11 ARG 56 33.936 41.681 26.901 449 HH12 ARG 56 HH12 ARG 56 34.516 41.223 28.467 450 HH21 ARG 56 HH21 ARG 56 37.844 41.823 27.705 451 HH22 ARG 56 HH22 ARG 56 36.728 41.303 28.924 452 H TYR 57 HN TYR 57 39.364 40.204 24.905 453 HA TYR 57 HA TYR 57 39.807 38.425 22.710 454 HB2 TYR 57 HB2 TYR 57 40.023 37.623 24.991 455 HB3 TYR 57 HB1 TYR 57 38.343 38.040 25.333 456 HD1 TYR 57 HD1 TYR 57 40.503 35.891 23.178 457 HD2 TYR 57 HD2 TYR 57 36.583 36.537 24.809 458 HE1 TYR 57 HE1 TYR 57 39.782 33.678 22.321 459 HE2 TYR 57 HE2 TYR 57 35.862 34.325 23.952 460 HH TYR 57 HH TYR 57 37.120 32.734 21.685 Start of MODEL 8 1 H1 GLY 1 HT1 GLY 1 21.188 -4.215 13.728 2 H2 GLY 1 HT2 GLY 1 20.468 -5.250 14.866 3 H3 GLY 1 HT3 GLY 1 20.787 -3.632 15.269 4 HA2 GLY 1 HA2 GLY 1 18.638 -3.313 14.767 5 HA3 GLY 1 HA1 GLY 1 19.255 -3.288 13.114 6 H SER 2 HN SER 2 18.256 -5.625 15.624 7 HA SER 2 HA SER 2 16.883 -7.210 13.528 8 HB2 SER 2 HB2 SER 2 18.455 -8.255 15.896 9 HB3 SER 2 HB1 SER 2 17.499 -9.241 14.793 10 HG SER 2 HG SER 2 19.383 -7.486 13.710 11 H ALA 3 HN ALA 3 15.012 -8.327 14.231 12 HA ALA 3 HA ALA 3 13.345 -6.888 15.979 13 HB1 ALA 3 HB1 ALA 3 12.665 -8.502 14.115 14 HB2 ALA 3 HB2 ALA 3 11.730 -8.587 15.607 15 HB3 ALA 3 HB3 ALA 3 12.967 -9.798 15.274 16 H GLY 4 HN GLY 4 15.345 -9.753 16.455 17 HA2 GLY 4 HA2 GLY 4 16.268 -10.547 18.442 18 HA3 GLY 4 HA1 GLY 4 15.352 -9.327 19.325 19 H LEU 5 HN LEU 5 13.237 -10.819 17.265 20 HA LEU 5 HA LEU 5 11.793 -12.112 19.329 21 HB2 LEU 5 HB2 LEU 5 11.607 -12.301 16.320 22 HB3 LEU 5 HB1 LEU 5 10.497 -13.135 17.400 23 HG LEU 5 HG LEU 5 10.972 -10.135 17.463 24 HD11 LEU 5 HD11 LEU 5 10.000 -10.655 15.326 25 HD12 LEU 5 HD12 LEU 5 8.700 -10.053 16.354 26 HD13 LEU 5 HD13 LEU 5 8.859 -11.784 16.055 27 HD21 LEU 5 HD21 LEU 5 8.576 -10.401 18.578 28 HD22 LEU 5 HD22 LEU 5 10.027 -10.655 19.539 29 HD23 LEU 5 HD23 LEU 5 9.136 -12.039 18.911 30 H GLN 6 HN GLN 6 14.048 -13.300 16.885 31 HA GLN 6 HA GLN 6 13.669 -16.060 17.370 32 HB2 GLN 6 HB2 GLN 6 16.022 -14.511 16.270 33 HB3 GLN 6 HB1 GLN 6 15.983 -16.267 16.356 34 HG2 GLN 6 HG2 GLN 6 13.940 -14.568 14.887 35 HG3 GLN 6 HG1 GLN 6 15.282 -15.411 14.124 36 HE21 GLN 6 HE21 GLN 6 12.097 -15.752 14.323 37 HE22 GLN 6 HE22 GLN 6 11.949 -17.436 14.485 38 H GLU 7 HN GLU 7 15.833 -13.658 18.809 39 HA GLU 7 HA GLU 7 17.346 -15.469 20.378 40 HB2 GLU 7 HB2 GLU 7 18.042 -13.136 19.906 41 HB3 GLU 7 HB1 GLU 7 16.719 -12.552 20.913 42 HG2 GLU 7 HG2 GLU 7 18.789 -12.569 22.210 43 HG3 GLU 7 HG1 GLU 7 17.686 -13.783 22.852 44 H LYS 8 HN LYS 8 16.856 -16.523 22.206 45 HA LYS 8 HA LYS 8 14.243 -16.021 23.475 46 HB2 LYS 8 HB2 LYS 8 16.195 -18.307 23.853 47 HB3 LYS 8 HB1 LYS 8 14.578 -18.203 24.542 48 HG2 LYS 8 HG2 LYS 8 15.111 -18.144 21.558 49 HG3 LYS 8 HG1 LYS 8 14.768 -19.625 22.445 50 HD2 LYS 8 HD2 LYS 8 12.627 -18.509 23.255 51 HD3 LYS 8 HD1 LYS 8 12.946 -17.234 22.081 52 HE2 LYS 8 HE2 LYS 8 11.457 -18.904 21.095 53 HE3 LYS 8 HE1 LYS 8 13.018 -18.923 20.273 54 HZ1 LYS 8 HZ1 LYS 8 13.282 -21.031 20.840 55 HZ2 LYS 8 HZ2 LYS 8 11.738 -21.035 21.550 56 HZ3 LYS 8 HZ3 LYS 8 13.105 -20.660 22.485 57 H GLU 9 HN GLU 9 17.518 -15.312 23.906 58 HA GLU 9 HA GLU 9 17.742 -15.461 26.726 59 HB2 GLU 9 HB2 GLU 9 19.179 -13.788 24.664 60 HB3 GLU 9 HB1 GLU 9 19.579 -13.734 26.379 61 HG2 GLU 9 HG2 GLU 9 20.128 -16.086 26.397 62 HG3 GLU 9 HG1 GLU 9 19.535 -16.292 24.752 63 H ARG 10 HN ARG 10 16.641 -12.905 24.548 64 HA ARG 10 HA ARG 10 15.600 -10.891 24.941 65 HB2 ARG 10 HB2 ARG 10 14.502 -12.465 27.283 66 HB3 ARG 10 HB1 ARG 10 13.822 -10.968 26.644 67 HG2 ARG 10 HG2 ARG 10 13.417 -12.041 24.480 68 HG3 ARG 10 HG1 ARG 10 14.167 -13.529 25.058 69 HD2 ARG 10 HD2 ARG 10 11.766 -13.777 25.243 70 HD3 ARG 10 HD1 ARG 10 12.432 -13.631 26.866 71 HE ARG 10 HE ARG 10 11.689 -11.069 25.883 72 HH11 ARG 10 HH11 ARG 10 9.783 -10.138 26.697 73 HH12 ARG 10 HH12 ARG 10 8.598 -11.138 27.468 74 HH21 ARG 10 HH21 ARG 10 10.406 -14.066 27.040 75 HH22 ARG 10 HH22 ARG 10 8.951 -13.363 27.662 76 H GLU 11 HN GLU 11 18.196 -11.629 26.485 77 HA GLU 11 HA GLU 11 18.125 -10.208 28.943 78 HB2 GLU 11 HB2 GLU 11 20.395 -10.990 27.114 79 HB3 GLU 11 HB1 GLU 11 20.649 -10.131 28.634 80 HG2 GLU 11 HG2 GLU 11 19.654 -11.924 29.900 81 HG3 GLU 11 HG1 GLU 11 19.121 -12.741 28.435 82 H LEU 12 HN LEU 12 18.898 -9.251 25.630 83 HA LEU 12 HA LEU 12 19.864 -6.663 26.203 84 HB2 LEU 12 HB2 LEU 12 18.497 -7.796 23.756 85 HB3 LEU 12 HB1 LEU 12 19.197 -6.181 23.813 86 HG LEU 12 HG LEU 12 20.744 -8.718 24.429 87 HD11 LEU 12 HD11 LEU 12 20.533 -7.101 21.873 88 HD12 LEU 12 HD12 LEU 12 20.061 -8.784 22.106 89 HD13 LEU 12 HD13 LEU 12 21.764 -8.330 22.165 90 HD21 LEU 12 HD21 LEU 12 21.997 -7.007 25.407 91 HD22 LEU 12 HD22 LEU 12 21.433 -5.788 24.266 92 HD23 LEU 12 HD23 LEU 12 22.645 -6.966 23.771 93 H GLU 13 HN GLU 13 16.599 -7.889 25.618 94 HA GLU 13 HA GLU 13 15.300 -5.374 25.534 95 HB2 GLU 13 HB2 GLU 13 14.306 -8.136 26.245 96 HB3 GLU 13 HB1 GLU 13 13.250 -6.725 26.187 97 HG2 GLU 13 HG2 GLU 13 13.753 -6.360 23.851 98 HG3 GLU 13 HG1 GLU 13 14.995 -7.608 23.869 99 H ASP 14 HN ASP 14 16.093 -7.566 28.191 100 HA ASP 14 HA ASP 14 14.671 -6.240 30.230 101 HB2 ASP 14 HB2 ASP 14 15.647 -8.504 30.461 102 HB3 ASP 14 HB1 ASP 14 17.260 -7.791 30.463 103 H LEU 15 HN LEU 15 17.985 -5.821 29.028 104 HA LEU 15 HA LEU 15 18.813 -3.910 30.932 105 HB2 LEU 15 HB2 LEU 15 19.699 -4.421 28.086 106 HB3 LEU 15 HB1 LEU 15 20.505 -3.284 29.163 107 HG LEU 15 HG LEU 15 20.072 -6.216 29.815 108 HD11 LEU 15 HD11 LEU 15 22.583 -6.334 29.356 109 HD12 LEU 15 HD12 LEU 15 22.415 -4.766 28.565 110 HD13 LEU 15 HD13 LEU 15 21.547 -6.168 27.938 111 HD21 LEU 15 HD21 LEU 15 22.121 -5.524 31.375 112 HD22 LEU 15 HD22 LEU 15 20.468 -5.200 31.881 113 HD23 LEU 15 HD23 LEU 15 21.444 -3.907 31.185 114 H LYS 16 HN LYS 16 17.194 -3.579 27.801 115 HA LYS 16 HA LYS 16 17.337 -0.767 27.612 116 HB2 LYS 16 HB2 LYS 16 15.361 -2.760 26.492 117 HB3 LYS 16 HB1 LYS 16 15.331 -1.041 26.097 118 HG2 LYS 16 HG2 LYS 16 17.648 -1.184 25.265 119 HG3 LYS 16 HG1 LYS 16 17.685 -2.902 25.660 120 HD2 LYS 16 HD2 LYS 16 15.823 -3.309 24.097 121 HD3 LYS 16 HD1 LYS 16 15.779 -1.591 23.700 122 HE2 LYS 16 HE2 LYS 16 18.094 -1.717 22.864 123 HE3 LYS 16 HE1 LYS 16 18.148 -3.434 23.266 124 HZ1 LYS 16 HZ1 LYS 16 16.712 -3.970 21.589 125 HZ2 LYS 16 HZ2 LYS 16 17.524 -2.658 20.877 126 HZ3 LYS 16 HZ3 LYS 16 15.981 -2.439 21.555 127 H ASP 17 HN ASP 17 14.976 -2.917 29.140 128 HA ASP 17 HA ASP 17 13.036 -0.977 29.776 129 HB2 ASP 17 HB2 ASP 17 12.661 -3.420 29.935 130 HB3 ASP 17 HB1 ASP 17 13.750 -3.481 31.320 131 H ALA 18 HN ALA 18 15.875 -2.127 31.567 132 HA ALA 18 HA ALA 18 15.445 -0.657 33.930 133 HB1 ALA 18 HB1 ALA 18 17.070 -2.461 33.848 134 HB2 ALA 18 HB2 ALA 18 17.887 -0.965 34.298 135 HB3 ALA 18 HB3 ALA 18 18.027 -1.585 32.653 136 H GLU 19 HN GLU 19 17.094 0.171 30.911 137 HA GLU 19 HA GLU 19 18.218 2.617 31.736 138 HB2 GLU 19 HB2 GLU 19 18.832 1.459 29.641 139 HB3 GLU 19 HB1 GLU 19 17.241 1.832 28.979 140 HG2 GLU 19 HG2 GLU 19 17.693 4.233 29.171 141 HG3 GLU 19 HG1 GLU 19 19.256 3.897 29.914 142 H LEU 20 HN LEU 20 15.053 1.848 30.325 143 HA LEU 20 HA LEU 20 14.164 4.545 30.127 144 HB2 LEU 20 HB2 LEU 20 12.917 1.842 29.934 145 HB3 LEU 20 HB1 LEU 20 11.825 3.170 30.315 146 HG LEU 20 HG LEU 20 12.647 4.402 28.325 147 HD11 LEU 20 HD11 LEU 20 14.056 3.229 26.680 148 HD12 LEU 20 HD12 LEU 20 14.196 1.853 27.771 149 HD13 LEU 20 HD13 LEU 20 14.905 3.408 28.214 150 HD21 LEU 20 HD21 LEU 20 10.696 2.774 28.259 151 HD22 LEU 20 HD22 LEU 20 11.809 1.589 27.576 152 HD23 LEU 20 HD23 LEU 20 11.464 3.081 26.701 153 H LYS 21 HN LYS 21 13.932 2.085 32.656 154 HA LYS 21 HA LYS 21 12.182 3.456 34.386 155 HB2 LYS 21 HB2 LYS 21 12.815 1.075 34.632 156 HB3 LYS 21 HB1 LYS 21 14.434 1.565 35.120 157 HG2 LYS 21 HG2 LYS 21 13.470 2.821 37.033 158 HG3 LYS 21 HG1 LYS 21 11.860 2.285 36.559 159 HD2 LYS 21 HD2 LYS 21 14.060 0.293 37.107 160 HD3 LYS 21 HD1 LYS 21 13.093 0.958 38.420 161 HE2 LYS 21 HE2 LYS 21 12.003 -0.531 36.006 162 HE3 LYS 21 HE1 LYS 21 12.141 -1.168 37.638 163 HZ1 LYS 21 HZ1 LYS 21 10.079 0.386 36.551 164 HZ2 LYS 21 HZ2 LYS 21 10.817 1.278 37.796 165 HZ3 LYS 21 HZ3 LYS 21 10.196 -0.273 38.109 166 H ARG 22 HN ARG 22 15.720 3.485 34.122 167 HA ARG 22 HA ARG 22 16.229 5.188 36.314 168 HB2 ARG 22 HB2 ARG 22 17.970 3.837 35.207 169 HB3 ARG 22 HB1 ARG 22 17.832 4.848 33.768 170 HG2 ARG 22 HG2 ARG 22 18.548 6.809 35.014 171 HG3 ARG 22 HG1 ARG 22 18.544 5.895 36.523 172 HD2 ARG 22 HD2 ARG 22 20.830 6.065 35.681 173 HD3 ARG 22 HD1 ARG 22 20.289 4.392 35.587 174 HE ARG 22 HE ARG 22 19.755 5.759 33.142 175 HH11 ARG 22 HH11 ARG 22 21.088 5.276 31.368 176 HH12 ARG 22 HH12 ARG 22 22.622 4.516 31.625 177 HH21 ARG 22 HH21 ARG 22 22.272 4.376 35.073 178 HH22 ARG 22 HH22 ARG 22 23.294 4.006 33.723 179 H LEU 23 HN LEU 23 15.545 5.841 32.918 180 HA LEU 23 HA LEU 23 16.139 8.571 32.858 181 HB2 LEU 23 HB2 LEU 23 15.754 7.237 30.844 182 HB3 LEU 23 HB1 LEU 23 14.061 7.032 31.284 183 HG LEU 23 HG LEU 23 13.718 9.478 31.118 184 HD11 LEU 23 HD11 LEU 23 15.765 10.503 31.635 185 HD12 LEU 23 HD12 LEU 23 15.696 10.699 29.887 186 HD13 LEU 23 HD13 LEU 23 16.687 9.421 30.591 187 HD21 LEU 23 HD21 LEU 23 13.479 7.934 29.133 188 HD22 LEU 23 HD22 LEU 23 15.106 8.407 28.647 189 HD23 LEU 23 HD23 LEU 23 13.821 9.612 28.710 190 H ASN 24 HN ASN 24 13.097 6.934 33.746 191 HA ASN 24 HA ASN 24 11.479 9.214 33.877 192 HB2 ASN 24 HB2 ASN 24 9.974 7.924 35.246 193 HB3 ASN 24 HB1 ASN 24 10.652 6.866 34.013 194 HD21 ASN 24 HD21 ASN 24 10.047 5.089 35.602 195 HD22 ASN 24 HD22 ASN 24 11.128 4.735 36.861 196 H GLU 25 HN GLU 25 14.107 8.326 35.866 197 HA GLU 25 HA GLU 25 13.466 10.546 37.701 198 HB2 GLU 25 HB2 GLU 25 14.157 9.237 39.644 199 HB3 GLU 25 HB1 GLU 25 12.820 8.428 38.828 200 HG2 GLU 25 HG2 GLU 25 14.490 6.991 37.632 201 HG3 GLU 25 HG1 GLU 25 15.764 7.731 38.599 202 H GLU 26 HN GLU 26 15.627 10.739 39.251 203 HA GLU 26 HA GLU 26 17.778 11.558 39.216 204 HB2 GLU 26 HB2 GLU 26 17.954 8.933 37.743 205 HB3 GLU 26 HB1 GLU 26 19.391 9.929 37.969 206 HG2 GLU 26 HG2 GLU 26 17.581 9.091 40.247 207 HG3 GLU 26 HG1 GLU 26 19.014 8.185 39.766 208 H ARG 27 HN ARG 27 15.940 12.518 37.134 209 HA ARG 27 HA ARG 27 17.250 12.698 34.631 210 HB2 ARG 27 HB2 ARG 27 15.680 14.520 34.165 211 HB3 ARG 27 HB1 ARG 27 14.850 13.166 34.929 212 HG2 ARG 27 HG2 ARG 27 14.981 14.307 37.112 213 HG3 ARG 27 HG1 ARG 27 15.820 15.663 36.359 214 HD2 ARG 27 HD2 ARG 27 13.062 14.715 35.548 215 HD3 ARG 27 HD1 ARG 27 13.363 16.055 36.650 216 HE ARG 27 HE ARG 27 14.828 16.578 34.336 217 HH11 ARG 27 HH11 ARG 27 13.981 17.941 32.728 218 HH12 ARG 27 HH12 ARG 27 12.270 18.185 32.620 219 HH21 ARG 27 HH21 ARG 27 11.537 16.109 35.299 220 HH22 ARG 27 HH22 ARG 27 10.887 17.148 34.076 221 H HIS 28 HN HIS 28 17.711 14.352 37.633 222 HA HIS 28 HA HIS 28 18.907 16.731 36.694 223 HB2 HIS 28 HB2 HIS 28 19.265 15.193 39.272 224 HB3 HIS 28 HB1 HIS 28 19.973 16.781 38.974 225 HD2 HIS 28 HD2 HIS 28 16.641 15.302 40.162 226 HE1 HIS 28 HE1 HIS 28 15.847 19.320 39.136 227 HE2 HIS 28 HE2 HIS 28 14.911 17.255 40.280 228 H ASP 29 HN ASP 29 20.237 13.534 37.431 229 HA ASP 29 HA ASP 29 22.966 14.186 37.175 230 HB2 ASP 29 HB2 ASP 29 21.456 11.606 36.748 231 HB3 ASP 29 HB1 ASP 29 23.212 11.716 36.644 232 H HIS 30 HN HIS 30 20.549 13.192 34.789 233 HA HIS 30 HA HIS 30 22.310 12.888 32.596 234 HB2 HIS 30 HB2 HIS 30 19.364 13.548 32.747 235 HB3 HIS 30 HB1 HIS 30 20.214 13.274 31.227 236 HD2 HIS 30 HD2 HIS 30 21.837 10.798 33.473 237 HE1 HIS 30 HE1 HIS 30 18.365 8.803 32.142 238 HE2 HIS 30 HE2 HIS 30 20.614 8.502 33.281 239 H ASP 31 HN ASP 31 20.540 15.678 33.861 240 HA ASP 31 HA ASP 31 21.079 17.470 31.759 241 HB2 ASP 31 HB2 ASP 31 19.425 17.889 33.554 242 HB3 ASP 31 HB1 ASP 31 20.747 18.093 34.702 243 H LYS 32 HN LYS 32 22.888 16.733 34.721 244 HA LYS 32 HA LYS 32 24.907 18.684 34.372 245 HB2 LYS 32 HB2 LYS 32 24.893 16.053 35.857 246 HB3 LYS 32 HB1 LYS 32 26.263 17.161 35.880 247 HG2 LYS 32 HG2 LYS 32 24.809 18.950 36.766 248 HG3 LYS 32 HG1 LYS 32 23.436 17.844 36.753 249 HD2 LYS 32 HD2 LYS 32 24.631 16.346 38.317 250 HD3 LYS 32 HD1 LYS 32 25.987 17.475 38.348 251 HE2 LYS 32 HE2 LYS 32 23.150 18.150 39.180 252 HE3 LYS 32 HE1 LYS 32 24.471 17.792 40.292 253 HZ1 LYS 32 HZ1 LYS 32 23.855 20.225 39.024 254 HZ2 LYS 32 HZ2 LYS 32 25.389 19.714 38.506 255 HZ3 LYS 32 HZ3 LYS 32 25.068 19.904 40.163 256 H ARG 33 HN ARG 33 24.616 15.340 33.259 257 HA ARG 33 HA ARG 33 27.223 15.032 32.246 258 HB2 ARG 33 HB2 ARG 33 25.645 13.158 32.533 259 HB3 ARG 33 HB1 ARG 33 24.649 13.802 31.227 260 HG2 ARG 33 HG2 ARG 33 26.468 13.516 29.633 261 HG3 ARG 33 HG1 ARG 33 27.561 13.013 30.922 262 HD2 ARG 33 HD2 ARG 33 26.165 11.045 31.365 263 HD3 ARG 33 HD1 ARG 33 25.024 11.558 30.125 264 HE ARG 33 HE ARG 33 26.508 10.791 28.499 265 HH11 ARG 33 HH11 ARG 33 28.383 9.685 27.849 266 HH12 ARG 33 HH12 ARG 33 29.650 9.393 28.993 267 HH21 ARG 33 HH21 ARG 33 28.005 10.953 31.616 268 HH22 ARG 33 HH22 ARG 33 29.436 10.112 31.125 269 H GLU 34 HN GLU 34 24.259 16.265 30.731 270 HA GLU 34 HA GLU 34 25.291 16.613 28.134 271 HB2 GLU 34 HB2 GLU 34 22.883 16.702 28.666 272 HB3 GLU 34 HB1 GLU 34 23.136 18.202 29.556 273 HG2 GLU 34 HG2 GLU 34 22.311 18.694 27.304 274 HG3 GLU 34 HG1 GLU 34 23.963 19.278 27.470 275 H ALA 35 HN ALA 35 25.224 18.769 30.949 276 HA ALA 35 HA ALA 35 26.275 21.063 29.700 277 HB1 ALA 35 HB1 ALA 35 26.766 20.248 32.567 278 HB2 ALA 35 HB2 ALA 35 25.234 20.918 32.006 279 HB3 ALA 35 HB3 ALA 35 26.708 21.881 31.904 280 H GLU 36 HN GLU 36 27.844 18.284 31.220 281 HA GLU 36 HA GLU 36 30.491 19.253 31.166 282 HB2 GLU 36 HB2 GLU 36 29.371 16.448 31.097 283 HB3 GLU 36 HB1 GLU 36 31.096 16.796 31.215 284 HG2 GLU 36 HG2 GLU 36 30.769 18.016 33.285 285 HG3 GLU 36 HG1 GLU 36 29.018 17.873 33.138 286 H ARG 37 HN ARG 37 28.562 17.524 28.757 287 HA ARG 37 HA ARG 37 30.608 16.960 26.918 288 HB2 ARG 37 HB2 ARG 37 28.331 16.006 26.783 289 HB3 ARG 37 HB1 ARG 37 27.702 17.593 26.342 290 HG2 ARG 37 HG2 ARG 37 29.087 17.615 24.321 291 HG3 ARG 37 HG1 ARG 37 29.804 16.067 24.774 292 HD2 ARG 37 HD2 ARG 37 27.579 15.006 24.661 293 HD3 ARG 37 HD1 ARG 37 26.865 16.551 24.203 294 HE ARG 37 HE ARG 37 28.436 14.792 22.503 295 HH11 ARG 37 HH11 ARG 37 28.559 15.426 20.325 296 HH12 ARG 37 HH12 ARG 37 28.060 17.018 19.863 297 HH21 ARG 37 HH21 ARG 37 27.198 17.971 23.083 298 HH22 ARG 37 HH22 ARG 37 27.289 18.460 21.425 299 H LYS 38 HN LYS 38 28.523 19.822 27.253 300 HA LYS 38 HA LYS 38 29.444 21.190 24.967 301 HB2 LYS 38 HB2 LYS 38 28.270 22.187 27.566 302 HB3 LYS 38 HB1 LYS 38 28.636 23.246 26.204 303 HG2 LYS 38 HG2 LYS 38 27.163 21.891 24.755 304 HG3 LYS 38 HG1 LYS 38 26.786 20.843 26.124 305 HD2 LYS 38 HD2 LYS 38 25.806 22.726 27.339 306 HD3 LYS 38 HD1 LYS 38 26.247 23.826 26.031 307 HE2 LYS 38 HE2 LYS 38 23.889 23.187 25.824 308 HE3 LYS 38 HE1 LYS 38 24.814 22.524 24.477 309 HZ1 LYS 38 HZ1 LYS 38 25.010 20.444 25.812 310 HZ2 LYS 38 HZ2 LYS 38 23.431 20.808 25.302 311 HZ3 LYS 38 HZ3 LYS 38 23.897 21.099 26.910 312 H ALA 39 HN ALA 39 30.628 21.111 28.303 313 HA ALA 39 HA ALA 39 32.530 23.177 28.088 314 HB1 ALA 39 HB1 ALA 39 32.598 20.683 29.804 315 HB2 ALA 39 HB2 ALA 39 31.864 22.225 30.245 316 HB3 ALA 39 HB3 ALA 39 33.612 22.108 30.033 317 H LEU 40 HN LEU 40 32.740 19.712 27.382 318 HA LEU 40 HA LEU 40 35.536 19.732 26.784 319 HB2 LEU 40 HB2 LEU 40 33.275 17.804 26.491 320 HB3 LEU 40 HB1 LEU 40 34.657 17.549 25.429 321 HG LEU 40 HG LEU 40 36.157 17.545 27.407 322 HD11 LEU 40 HD11 LEU 40 34.788 18.965 28.887 323 HD12 LEU 40 HD12 LEU 40 35.165 17.427 29.662 324 HD13 LEU 40 HD13 LEU 40 33.565 17.697 28.975 325 HD21 LEU 40 HD21 LEU 40 33.837 15.615 27.710 326 HD22 LEU 40 HD22 LEU 40 35.501 15.353 28.234 327 HD23 LEU 40 HD23 LEU 40 35.122 15.442 26.514 328 H GLU 41 HN GLU 41 32.591 20.118 24.872 329 HA GLU 41 HA GLU 41 33.770 20.065 22.313 330 HB2 GLU 41 HB2 GLU 41 31.334 19.920 22.707 331 HB3 GLU 41 HB1 GLU 41 31.329 21.605 23.230 332 HG2 GLU 41 HG2 GLU 41 32.124 22.322 21.026 333 HG3 GLU 41 HG1 GLU 41 32.222 20.643 20.496 334 H ASP 42 HN ASP 42 33.203 22.725 24.591 335 HA ASP 42 HA ASP 42 34.033 24.834 22.920 336 HB2 ASP 42 HB2 ASP 42 34.049 24.510 25.922 337 HB3 ASP 42 HB1 ASP 42 34.509 26.011 25.118 338 H LYS 43 HN LYS 43 35.835 22.698 25.088 339 HA LYS 43 HA LYS 43 38.324 24.005 24.960 340 HB2 LYS 43 HB2 LYS 43 37.801 22.226 26.587 341 HB3 LYS 43 HB1 LYS 43 37.753 21.046 25.278 342 HG2 LYS 43 HG2 LYS 43 40.112 21.497 24.754 343 HG3 LYS 43 HG1 LYS 43 40.169 22.726 26.019 344 HD2 LYS 43 HD2 LYS 43 39.631 21.005 27.710 345 HD3 LYS 43 HD1 LYS 43 39.596 19.778 26.442 346 HE2 LYS 43 HE2 LYS 43 42.001 21.499 27.113 347 HE3 LYS 43 HE1 LYS 43 41.779 19.832 27.642 348 HZ1 LYS 43 HZ1 LYS 43 43.136 20.004 25.628 349 HZ2 LYS 43 HZ2 LYS 43 41.834 20.728 24.811 350 HZ3 LYS 43 HZ3 LYS 43 41.712 19.123 25.356 351 H LEU 44 HN LEU 44 36.915 21.451 22.932 352 HA LEU 44 HA LEU 44 39.163 21.045 21.274 353 HB2 LEU 44 HB2 LEU 44 36.209 20.642 20.781 354 HB3 LEU 44 HB1 LEU 44 37.459 20.130 19.652 355 HG LEU 44 HG LEU 44 37.342 19.257 22.555 356 HD11 LEU 44 HD11 LEU 44 36.541 17.079 21.603 357 HD12 LEU 44 HD12 LEU 44 36.369 17.874 20.038 358 HD13 LEU 44 HD13 LEU 44 35.386 18.397 21.406 359 HD21 LEU 44 HD21 LEU 44 39.552 18.866 21.906 360 HD22 LEU 44 HD22 LEU 44 39.129 18.627 20.211 361 HD23 LEU 44 HD23 LEU 44 38.806 17.358 21.388 362 H ALA 45 HN ALA 45 36.428 23.277 21.055 363 HA ALA 45 HA ALA 45 36.948 24.273 18.473 364 HB1 ALA 45 HB1 ALA 45 35.801 25.894 20.748 365 HB2 ALA 45 HB2 ALA 45 34.875 24.653 19.904 366 HB3 ALA 45 HB3 ALA 45 35.474 26.057 19.022 367 H ASP 46 HN ASP 46 38.151 25.252 21.657 368 HA ASP 46 HA ASP 46 40.496 26.434 20.464 369 HB2 ASP 46 HB2 ASP 46 38.618 28.201 20.337 370 HB3 ASP 46 HB1 ASP 46 38.775 28.302 22.089 371 H LYS 47 HN LYS 47 42.050 27.148 22.091 372 HA LYS 47 HA LYS 47 41.514 26.204 24.833 373 HB2 LYS 47 HB2 LYS 47 42.630 24.356 23.666 374 HB3 LYS 47 HB1 LYS 47 43.908 25.441 23.133 375 HG2 LYS 47 HG2 LYS 47 44.723 24.187 25.038 376 HG3 LYS 47 HG1 LYS 47 44.486 25.850 25.553 377 HD2 LYS 47 HD2 LYS 47 42.421 25.287 26.670 378 HD3 LYS 47 HD1 LYS 47 42.418 23.671 25.962 379 HE2 LYS 47 HE2 LYS 47 44.491 23.141 27.195 380 HE3 LYS 47 HE1 LYS 47 44.486 24.760 27.896 381 HZ1 LYS 47 HZ1 LYS 47 42.595 24.308 29.132 382 HZ2 LYS 47 HZ2 LYS 47 43.468 22.853 29.238 383 HZ3 LYS 47 HZ3 LYS 47 42.148 22.981 28.174 384 H GLN 48 HN GLN 48 42.199 27.618 26.324 385 HA GLN 48 HA GLN 48 44.302 29.581 25.599 386 HB2 GLN 48 HB2 GLN 48 41.720 30.173 27.076 387 HB3 GLN 48 HB1 GLN 48 43.022 31.322 26.771 388 HG2 GLN 48 HG2 GLN 48 41.417 29.889 24.634 389 HG3 GLN 48 HG1 GLN 48 41.190 31.566 25.122 390 HE21 GLN 48 HE21 GLN 48 43.518 32.799 25.112 391 HE22 GLN 48 HE22 GLN 48 44.407 32.559 23.686 392 H GLU 49 HN GLU 49 45.626 30.250 27.277 393 HA GLU 49 HA GLU 49 45.744 28.434 29.561 394 HB2 GLU 49 HB2 GLU 49 47.590 30.630 28.597 395 HB3 GLU 49 HB1 GLU 49 47.893 29.634 30.021 396 HG2 GLU 49 HG2 GLU 49 47.860 27.608 28.640 397 HG3 GLU 49 HG1 GLU 49 47.491 28.570 27.210 398 H HIS 50 HN HIS 50 44.243 31.317 28.860 399 HA HIS 50 HA HIS 50 44.692 32.906 31.130 400 HB2 HIS 50 HB2 HIS 50 43.536 33.762 29.163 401 HB3 HIS 50 HB1 HIS 50 42.206 32.635 29.425 402 HD2 HIS 50 HD2 HIS 50 40.220 33.650 31.064 403 HE1 HIS 50 HE1 HIS 50 42.424 36.825 32.763 404 HE2 HIS 50 HE2 HIS 50 40.136 35.729 32.643 405 H LEU 51 HN LEU 51 42.194 30.425 30.530 406 HA LEU 51 HA LEU 51 42.017 29.941 33.411 407 HB2 LEU 51 HB2 LEU 51 40.349 31.701 33.021 408 HB3 LEU 51 HB1 LEU 51 39.616 30.739 31.742 409 HG LEU 51 HG LEU 51 39.068 28.968 33.384 410 HD11 LEU 51 HD11 LEU 51 40.570 30.822 35.228 411 HD12 LEU 51 HD12 LEU 51 40.678 29.067 35.085 412 HD13 LEU 51 HD13 LEU 51 39.285 29.799 35.874 413 HD21 LEU 51 HD21 LEU 51 37.490 30.851 32.916 414 HD22 LEU 51 HD22 LEU 51 38.158 31.713 34.302 415 HD23 LEU 51 HD23 LEU 51 37.303 30.189 34.540 416 H ASP 52 HN ASP 52 41.050 29.090 30.122 417 HA ASP 52 HA ASP 52 39.867 26.599 30.685 418 HB2 ASP 52 HB2 ASP 52 41.288 27.646 28.235 419 HB3 ASP 52 HB1 ASP 52 40.511 26.066 28.287 420 H GLY 53 HN GLY 53 43.235 27.515 30.096 421 HA2 GLY 53 HA2 GLY 53 44.178 24.781 30.223 422 HA3 GLY 53 HA1 GLY 53 45.174 26.231 30.114 423 H ALA 54 HN ALA 54 46.199 24.489 31.802 424 HA ALA 54 HA ALA 54 46.832 24.100 33.975 425 HB1 ALA 54 HB1 ALA 54 46.783 26.035 35.478 426 HB2 ALA 54 HB2 ALA 54 45.676 26.868 34.388 427 HB3 ALA 54 HB3 ALA 54 47.325 26.515 33.871 428 H LEU 55 HN LEU 55 44.268 23.117 33.187 429 HA LEU 55 HA LEU 55 42.227 23.661 35.046 430 HB2 LEU 55 HB2 LEU 55 41.823 22.454 32.948 431 HB3 LEU 55 HB1 LEU 55 42.809 21.110 33.518 432 HG LEU 55 HG LEU 55 41.226 20.737 35.384 433 HD11 LEU 55 HD11 LEU 55 38.942 21.999 35.037 434 HD12 LEU 55 HD12 LEU 55 39.936 23.194 34.205 435 HD13 LEU 55 HD13 LEU 55 40.251 22.807 35.896 436 HD21 LEU 55 HD21 LEU 55 39.279 20.012 33.959 437 HD22 LEU 55 HD22 LEU 55 40.847 19.496 33.339 438 HD23 LEU 55 HD23 LEU 55 40.019 20.870 32.606 439 H ARG 56 HN ARG 56 44.814 21.225 35.049 440 HA ARG 56 HA ARG 56 44.042 19.977 37.482 441 HB2 ARG 56 HB2 ARG 56 45.543 18.928 35.807 442 HB3 ARG 56 HB1 ARG 56 46.787 20.110 36.213 443 HG2 ARG 56 HG2 ARG 56 46.824 19.312 38.533 444 HG3 ARG 56 HG1 ARG 56 45.532 18.166 38.174 445 HD2 ARG 56 HD2 ARG 56 46.986 17.057 36.513 446 HD3 ARG 56 HD1 ARG 56 48.279 18.193 36.889 447 HE ARG 56 HE ARG 56 47.422 15.939 38.511 448 HH11 ARG 56 HH11 ARG 56 48.705 15.532 40.340 449 HH12 ARG 56 HH12 ARG 56 49.847 16.721 40.872 450 HH21 ARG 56 HH21 ARG 56 49.073 18.975 38.354 451 HH22 ARG 56 HH22 ARG 56 50.055 18.670 39.747 452 H TYR 57 HN TYR 57 44.397 20.530 39.547 453 HA TYR 57 HA TYR 57 45.460 23.122 40.167 454 HB2 TYR 57 HB2 TYR 57 44.622 20.838 41.969 455 HB3 TYR 57 HB1 TYR 57 45.006 22.471 42.515 456 HD1 TYR 57 HD1 TYR 57 42.566 20.360 40.768 457 HD2 TYR 57 HD2 TYR 57 43.558 24.377 41.922 458 HE1 TYR 57 HE1 TYR 57 40.250 21.081 40.252 459 HE2 TYR 57 HE2 TYR 57 41.243 25.098 41.404 460 HH TYR 57 HH TYR 57 38.811 22.762 40.235 Start of MODEL 9 1 H1 GLY 1 HT1 GLY 1 6.764 -24.086 20.333 2 H2 GLY 1 HT2 GLY 1 5.512 -23.993 21.478 3 H3 GLY 1 HT3 GLY 1 7.132 -23.885 21.977 4 HA2 GLY 1 HA2 GLY 1 6.368 -21.924 20.000 5 HA3 GLY 1 HA1 GLY 1 5.536 -21.771 21.548 6 H SER 2 HN SER 2 8.255 -20.881 19.872 7 HA SER 2 HA SER 2 9.533 -19.848 22.268 8 HB2 SER 2 HB2 SER 2 11.696 -20.861 21.843 9 HB3 SER 2 HB1 SER 2 10.494 -22.137 22.015 10 HG SER 2 HG SER 2 10.456 -21.510 19.497 11 H ALA 3 HN ALA 3 11.354 -18.396 21.710 12 HA ALA 3 HA ALA 3 10.639 -16.596 19.669 13 HB1 ALA 3 HB1 ALA 3 12.102 -16.245 21.795 14 HB2 ALA 3 HB2 ALA 3 12.486 -15.329 20.338 15 HB3 ALA 3 HB3 ALA 3 13.437 -16.753 20.762 16 H GLY 4 HN GLY 4 13.018 -19.208 19.777 17 HA2 GLY 4 HA2 GLY 4 13.852 -20.454 18.000 18 HA3 GLY 4 HA1 GLY 4 13.011 -19.385 16.887 19 H LEU 5 HN LEU 5 14.975 -19.525 15.630 20 HA LEU 5 HA LEU 5 17.501 -18.627 16.480 21 HB2 LEU 5 HB2 LEU 5 16.197 -18.779 13.762 22 HB3 LEU 5 HB1 LEU 5 17.857 -18.224 13.981 23 HG LEU 5 HG LEU 5 18.372 -20.361 15.168 24 HD11 LEU 5 HD11 LEU 5 16.324 -21.149 16.015 25 HD12 LEU 5 HD12 LEU 5 16.616 -22.225 14.651 26 HD13 LEU 5 HD13 LEU 5 15.479 -20.886 14.489 27 HD21 LEU 5 HD21 LEU 5 17.200 -20.689 12.387 28 HD22 LEU 5 HD22 LEU 5 18.397 -21.747 13.133 29 HD23 LEU 5 HD23 LEU 5 18.814 -20.079 12.745 30 H GLN 6 HN GLN 6 14.721 -16.894 15.186 31 HA GLN 6 HA GLN 6 15.970 -14.435 14.654 32 HB2 GLN 6 HB2 GLN 6 13.131 -15.113 15.430 33 HB3 GLN 6 HB1 GLN 6 13.646 -13.479 15.023 34 HG2 GLN 6 HG2 GLN 6 14.433 -14.277 12.818 35 HG3 GLN 6 HG1 GLN 6 13.892 -15.905 13.215 36 HE21 GLN 6 HE21 GLN 6 12.087 -16.189 11.860 37 HE22 GLN 6 HE22 GLN 6 10.763 -15.129 11.810 38 H GLU 7 HN GLU 7 14.610 -15.759 17.639 39 HA GLU 7 HA GLU 7 14.737 -15.049 19.821 40 HB2 GLU 7 HB2 GLU 7 17.242 -13.743 18.734 41 HB3 GLU 7 HB1 GLU 7 16.842 -13.861 20.446 42 HG2 GLU 7 HG2 GLU 7 16.782 -16.310 20.284 43 HG3 GLU 7 HG1 GLU 7 17.141 -16.215 18.562 44 H LYS 8 HN LYS 8 13.117 -13.522 18.040 45 HA LYS 8 HA LYS 8 13.470 -10.737 18.280 46 HB2 LYS 8 HB2 LYS 8 11.928 -11.785 16.666 47 HB3 LYS 8 HB1 LYS 8 10.896 -12.306 17.997 48 HG2 LYS 8 HG2 LYS 8 10.508 -9.966 18.642 49 HG3 LYS 8 HG1 LYS 8 11.587 -9.422 17.357 50 HD2 LYS 8 HD2 LYS 8 10.098 -10.463 15.677 51 HD3 LYS 8 HD1 LYS 8 9.011 -10.976 16.970 52 HE2 LYS 8 HE2 LYS 8 9.759 -8.096 16.382 53 HE3 LYS 8 HE1 LYS 8 8.252 -8.866 15.885 54 HZ1 LYS 8 HZ1 LYS 8 8.778 -7.639 18.298 55 HZ2 LYS 8 HZ2 LYS 8 8.738 -9.302 18.642 56 HZ3 LYS 8 HZ3 LYS 8 7.409 -8.555 17.894 57 H GLU 9 HN GLU 9 11.751 -13.075 20.318 58 HA GLU 9 HA GLU 9 10.559 -11.213 22.069 59 HB2 GLU 9 HB2 GLU 9 11.339 -14.105 22.438 60 HB3 GLU 9 HB1 GLU 9 10.505 -13.177 23.683 61 HG2 GLU 9 HG2 GLU 9 8.625 -12.771 22.221 62 HG3 GLU 9 HG1 GLU 9 9.472 -13.476 20.847 63 H ARG 10 HN ARG 10 13.720 -12.820 22.168 64 HA ARG 10 HA ARG 10 14.471 -11.937 24.743 65 HB2 ARG 10 HB2 ARG 10 16.114 -12.689 22.323 66 HB3 ARG 10 HB1 ARG 10 16.822 -12.309 23.891 67 HG2 ARG 10 HG2 ARG 10 15.494 -14.105 24.936 68 HG3 ARG 10 HG1 ARG 10 14.779 -14.488 23.369 69 HD2 ARG 10 HD2 ARG 10 17.000 -15.033 22.472 70 HD3 ARG 10 HD1 ARG 10 17.739 -14.611 24.013 71 HE ARG 10 HE ARG 10 16.989 -16.642 24.888 72 HH11 ARG 10 HH11 ARG 10 16.077 -18.708 24.661 73 HH12 ARG 10 HH12 ARG 10 15.146 -19.089 23.251 74 HH21 ARG 10 HH21 ARG 10 15.542 -15.955 21.820 75 HH22 ARG 10 HH22 ARG 10 14.844 -17.530 21.643 76 H GLU 11 HN GLU 11 14.800 -10.467 21.544 77 HA GLU 11 HA GLU 11 16.434 -8.291 22.319 78 HB2 GLU 11 HB2 GLU 11 14.481 -8.635 20.040 79 HB3 GLU 11 HB1 GLU 11 15.460 -7.184 20.250 80 HG2 GLU 11 HG2 GLU 11 17.508 -8.456 20.076 81 HG3 GLU 11 HG1 GLU 11 16.624 -9.979 20.087 82 H LEU 12 HN LEU 12 12.922 -8.720 22.249 83 HA LEU 12 HA LEU 12 12.220 -6.053 22.864 84 HB2 LEU 12 HB2 LEU 12 10.800 -8.670 23.387 85 HB3 LEU 12 HB1 LEU 12 10.074 -7.094 23.693 86 HG LEU 12 HG LEU 12 11.176 -7.961 21.002 87 HD11 LEU 12 HD11 LEU 12 8.888 -8.380 20.330 88 HD12 LEU 12 HD12 LEU 12 8.280 -7.819 21.888 89 HD13 LEU 12 HD13 LEU 12 9.207 -9.316 21.790 90 HD21 LEU 12 HD21 LEU 12 11.119 -5.631 20.887 91 HD22 LEU 12 HD22 LEU 12 9.793 -5.493 22.041 92 HD23 LEU 12 HD23 LEU 12 9.472 -6.001 20.385 93 H GLU 13 HN GLU 13 12.990 -8.840 24.889 94 HA GLU 13 HA GLU 13 12.308 -7.673 27.376 95 HB2 GLU 13 HB2 GLU 13 14.233 -9.881 26.643 96 HB3 GLU 13 HB1 GLU 13 13.924 -9.397 28.310 97 HG2 GLU 13 HG2 GLU 13 11.577 -9.939 28.105 98 HG3 GLU 13 HG1 GLU 13 11.741 -10.230 26.376 99 H ASP 14 HN ASP 14 15.292 -7.672 25.480 100 HA ASP 14 HA ASP 14 16.975 -6.487 27.402 101 HB2 ASP 14 HB2 ASP 14 17.020 -6.452 24.383 102 HB3 ASP 14 HB1 ASP 14 18.289 -5.727 25.368 103 H LEU 15 HN LEU 15 14.801 -5.080 24.989 104 HA LEU 15 HA LEU 15 15.565 -2.382 25.334 105 HB2 LEU 15 HB2 LEU 15 12.958 -3.630 24.447 106 HB3 LEU 15 HB1 LEU 15 13.267 -1.898 24.403 107 HG LEU 15 HG LEU 15 15.007 -3.963 23.018 108 HD11 LEU 15 HD11 LEU 15 12.669 -3.870 22.122 109 HD12 LEU 15 HD12 LEU 15 13.882 -3.343 20.956 110 HD13 LEU 15 HD13 LEU 15 12.898 -2.151 21.806 111 HD21 LEU 15 HD21 LEU 15 16.361 -2.070 23.196 112 HD22 LEU 15 HD22 LEU 15 14.998 -0.953 23.189 113 HD23 LEU 15 HD23 LEU 15 15.528 -1.710 21.689 114 H LYS 16 HN LYS 16 13.181 -4.408 26.978 115 HA LYS 16 HA LYS 16 11.939 -2.400 28.508 116 HB2 LYS 16 HB2 LYS 16 11.039 -4.685 28.271 117 HB3 LYS 16 HB1 LYS 16 12.389 -5.311 29.217 118 HG2 LYS 16 HG2 LYS 16 11.683 -3.958 31.149 119 HG3 LYS 16 HG1 LYS 16 10.353 -3.290 30.203 120 HD2 LYS 16 HD2 LYS 16 9.405 -5.550 29.932 121 HD3 LYS 16 HD1 LYS 16 10.737 -6.223 30.872 122 HE2 LYS 16 HE2 LYS 16 10.060 -4.867 32.816 123 HE3 LYS 16 HE1 LYS 16 8.733 -4.181 31.879 124 HZ1 LYS 16 HZ1 LYS 16 9.001 -6.824 33.056 125 HZ2 LYS 16 HZ2 LYS 16 8.279 -6.765 31.520 126 HZ3 LYS 16 HZ3 LYS 16 7.614 -5.881 32.810 127 H ASP 17 HN ASP 17 14.770 -4.437 29.172 128 HA ASP 17 HA ASP 17 15.248 -3.566 31.805 129 HB2 ASP 17 HB2 ASP 17 16.334 -5.539 30.776 130 HB3 ASP 17 HB1 ASP 17 17.272 -4.462 29.741 131 H ALA 18 HN ALA 18 16.401 -2.325 28.687 132 HA ALA 18 HA ALA 18 18.138 -0.352 29.693 133 HB1 ALA 18 HB1 ALA 18 16.547 -0.412 27.119 134 HB2 ALA 18 HB2 ALA 18 18.189 -1.011 27.352 135 HB3 ALA 18 HB3 ALA 18 17.856 0.717 27.466 136 H GLU 19 HN GLU 19 14.671 -0.286 28.972 137 HA GLU 19 HA GLU 19 14.266 2.481 29.351 138 HB2 GLU 19 HB2 GLU 19 12.418 0.110 29.663 139 HB3 GLU 19 HB1 GLU 19 11.877 1.783 29.812 140 HG2 GLU 19 HG2 GLU 19 12.580 2.278 27.549 141 HG3 GLU 19 HG1 GLU 19 13.329 0.690 27.389 142 H LEU 20 HN LEU 20 14.221 -0.249 31.607 143 HA LEU 20 HA LEU 20 13.270 1.159 33.863 144 HB2 LEU 20 HB2 LEU 20 15.022 -1.292 33.622 145 HB3 LEU 20 HB1 LEU 20 14.395 -0.697 35.156 146 HG LEU 20 HG LEU 20 12.653 -1.411 32.777 147 HD11 LEU 20 HD11 LEU 20 13.163 -3.033 35.287 148 HD12 LEU 20 HD12 LEU 20 13.917 -3.361 33.727 149 HD13 LEU 20 HD13 LEU 20 12.169 -3.500 33.908 150 HD21 LEU 20 HD21 LEU 20 11.312 -0.028 34.095 151 HD22 LEU 20 HD22 LEU 20 12.132 -0.469 35.592 152 HD23 LEU 20 HD23 LEU 20 10.985 -1.583 34.852 153 H LYS 21 HN LYS 21 16.523 0.644 32.580 154 HA LYS 21 HA LYS 21 17.961 1.749 34.741 155 HB2 LYS 21 HB2 LYS 21 18.602 1.543 31.793 156 HB3 LYS 21 HB1 LYS 21 19.750 2.130 32.997 157 HG2 LYS 21 HG2 LYS 21 19.544 0.008 34.238 158 HG3 LYS 21 HG1 LYS 21 18.394 -0.583 33.037 159 HD2 LYS 21 HD2 LYS 21 20.114 -0.381 31.281 160 HD3 LYS 21 HD1 LYS 21 21.267 0.213 32.477 161 HE2 LYS 21 HE2 LYS 21 21.073 -1.904 33.726 162 HE3 LYS 21 HE1 LYS 21 19.914 -2.501 32.540 163 HZ1 LYS 21 HZ1 LYS 21 21.638 -3.233 31.382 164 HZ2 LYS 21 HZ2 LYS 21 22.747 -2.459 32.411 165 HZ3 LYS 21 HZ3 LYS 21 22.082 -1.623 31.089 166 H ARG 22 HN ARG 22 16.516 3.214 31.861 167 HA ARG 22 HA ARG 22 17.593 5.788 32.152 168 HB2 ARG 22 HB2 ARG 22 16.488 5.101 30.099 169 HB3 ARG 22 HB1 ARG 22 14.965 4.882 30.951 170 HG2 ARG 22 HG2 ARG 22 14.957 7.003 29.717 171 HG3 ARG 22 HG1 ARG 22 14.899 7.316 31.446 172 HD2 ARG 22 HD2 ARG 22 17.234 7.906 31.493 173 HD3 ARG 22 HD1 ARG 22 17.473 7.327 29.845 174 HE ARG 22 HE ARG 22 15.518 9.307 29.726 175 HH11 ARG 22 HH11 ARG 22 16.073 11.451 29.220 176 HH12 ARG 22 HH12 ARG 22 17.694 12.005 29.481 177 HH21 ARG 22 HH21 ARG 22 18.819 8.962 30.706 178 HH22 ARG 22 HH22 ARG 22 19.248 10.596 30.321 179 H LEU 23 HN LEU 23 14.600 4.358 33.415 180 HA LEU 23 HA LEU 23 13.597 6.686 34.661 181 HB2 LEU 23 HB2 LEU 23 13.198 3.752 35.275 182 HB3 LEU 23 HB1 LEU 23 12.304 5.041 36.075 183 HG LEU 23 HG LEU 23 12.380 4.650 33.067 184 HD11 LEU 23 HD11 LEU 23 10.229 3.848 35.052 185 HD12 LEU 23 HD12 LEU 23 11.314 2.731 34.224 186 HD13 LEU 23 HD13 LEU 23 10.143 3.671 33.299 187 HD21 LEU 23 HD21 LEU 23 11.704 6.865 33.363 188 HD22 LEU 23 HD22 LEU 23 10.971 6.550 34.935 189 HD23 LEU 23 HD23 LEU 23 10.147 6.052 33.459 190 H ASN 24 HN ASN 24 15.776 4.140 35.784 191 HA ASN 24 HA ASN 24 15.916 4.905 38.490 192 HB2 ASN 24 HB2 ASN 24 16.797 2.766 37.485 193 HB3 ASN 24 HB1 ASN 24 18.160 3.696 36.865 194 HD21 ASN 24 HD21 ASN 24 19.770 2.732 38.241 195 HD22 ASN 24 HD22 ASN 24 19.773 2.950 39.924 196 H GLU 25 HN GLU 25 17.768 5.942 35.653 197 HA GLU 25 HA GLU 25 19.660 7.537 37.012 198 HB2 GLU 25 HB2 GLU 25 19.872 6.833 34.643 199 HB3 GLU 25 HB1 GLU 25 18.551 7.921 34.221 200 HG2 GLU 25 HG2 GLU 25 19.842 9.844 35.029 201 HG3 GLU 25 HG1 GLU 25 21.153 8.774 35.525 202 H GLU 26 HN GLU 26 19.555 9.527 37.874 203 HA GLU 26 HA GLU 26 17.012 10.795 38.229 204 HB2 GLU 26 HB2 GLU 26 19.822 11.721 38.884 205 HB3 GLU 26 HB1 GLU 26 18.355 12.563 39.373 206 HG2 GLU 26 HG2 GLU 26 18.833 11.246 41.255 207 HG3 GLU 26 HG1 GLU 26 17.646 10.268 40.400 208 H ARG 27 HN ARG 27 16.245 12.708 37.370 209 HA ARG 27 HA ARG 27 16.921 13.303 34.694 210 HB2 ARG 27 HB2 ARG 27 15.330 14.841 36.755 211 HB3 ARG 27 HB1 ARG 27 15.472 15.337 35.068 212 HG2 ARG 27 HG2 ARG 27 14.460 13.276 34.308 213 HG3 ARG 27 HG1 ARG 27 14.481 12.611 35.941 214 HD2 ARG 27 HD2 ARG 27 12.964 15.110 35.154 215 HD3 ARG 27 HD1 ARG 27 12.239 13.509 35.246 216 HE ARG 27 HE ARG 27 13.510 13.995 37.694 217 HH11 ARG 27 HH11 ARG 27 12.294 14.724 39.468 218 HH12 ARG 27 HH12 ARG 27 10.772 15.508 39.205 219 HH21 ARG 27 HH21 ARG 27 10.934 15.244 35.751 220 HH22 ARG 27 HH22 ARG 27 10.001 15.802 37.100 221 H HIS 28 HN HIS 28 17.806 14.827 37.761 222 HA HIS 28 HA HIS 28 19.103 17.094 36.686 223 HB2 HIS 28 HB2 HIS 28 19.437 15.607 39.295 224 HB3 HIS 28 HB1 HIS 28 20.322 17.085 38.918 225 HD2 HIS 28 HD2 HIS 28 18.830 19.440 39.187 226 HE1 HIS 28 HE1 HIS 28 15.106 17.615 39.977 227 HE2 HIS 28 HE2 HIS 28 16.344 19.831 39.884 228 H ASP 29 HN ASP 29 20.247 13.836 37.453 229 HA ASP 29 HA ASP 29 22.997 14.280 37.039 230 HB2 ASP 29 HB2 ASP 29 21.285 11.809 36.757 231 HB3 ASP 29 HB1 ASP 29 23.036 11.787 36.562 232 H HIS 30 HN HIS 30 20.387 13.419 34.812 233 HA HIS 30 HA HIS 30 21.953 12.893 32.538 234 HB2 HIS 30 HB2 HIS 30 19.584 12.320 32.628 235 HB3 HIS 30 HB1 HIS 30 19.151 14.026 32.725 236 HD2 HIS 30 HD2 HIS 30 18.803 15.208 30.248 237 HE1 HIS 30 HE1 HIS 30 20.768 12.284 27.921 238 HE2 HIS 30 HE2 HIS 30 19.424 14.437 27.832 239 H ASP 31 HN ASP 31 20.468 15.923 33.674 240 HA ASP 31 HA ASP 31 21.303 17.541 31.525 241 HB2 ASP 31 HB2 ASP 31 20.657 18.181 34.405 242 HB3 ASP 31 HB1 ASP 31 21.038 19.421 33.211 243 H LYS 32 HN LYS 32 22.871 16.675 34.574 244 HA LYS 32 HA LYS 32 25.060 18.434 34.417 245 HB2 LYS 32 HB2 LYS 32 24.493 17.175 36.454 246 HB3 LYS 32 HB1 LYS 32 24.934 15.673 35.641 247 HG2 LYS 32 HG2 LYS 32 27.230 16.349 35.449 248 HG3 LYS 32 HG1 LYS 32 26.851 17.995 35.952 249 HD2 LYS 32 HD2 LYS 32 27.816 16.904 37.859 250 HD3 LYS 32 HD1 LYS 32 26.085 17.022 38.172 251 HE2 LYS 32 HE2 LYS 32 25.751 14.704 37.547 252 HE3 LYS 32 HE1 LYS 32 27.423 14.565 37.003 253 HZ1 LYS 32 HZ1 LYS 32 28.156 14.973 39.262 254 HZ2 LYS 32 HZ2 LYS 32 27.107 13.637 39.217 255 HZ3 LYS 32 HZ3 LYS 32 26.550 15.139 39.783 256 H ARG 33 HN ARG 33 24.631 15.128 33.196 257 HA ARG 33 HA ARG 33 27.242 14.746 32.220 258 HB2 ARG 33 HB2 ARG 33 25.602 12.922 32.452 259 HB3 ARG 33 HB1 ARG 33 24.643 13.621 31.147 260 HG2 ARG 33 HG2 ARG 33 26.461 13.295 29.565 261 HG3 ARG 33 HG1 ARG 33 27.531 12.745 30.857 262 HD2 ARG 33 HD2 ARG 33 26.644 10.815 29.649 263 HD3 ARG 33 HD1 ARG 33 25.998 10.841 31.287 264 HE ARG 33 HE ARG 33 24.250 12.206 29.493 265 HH11 ARG 33 HH11 ARG 33 22.325 11.150 28.912 266 HH12 ARG 33 HH12 ARG 33 22.177 9.440 29.144 267 HH21 ARG 33 HH21 ARG 33 25.363 9.076 30.464 268 HH22 ARG 33 HH22 ARG 33 23.898 8.266 30.024 269 H GLU 34 HN GLU 34 24.343 16.087 30.668 270 HA GLU 34 HA GLU 34 25.492 16.466 28.107 271 HB2 GLU 34 HB2 GLU 34 23.179 17.819 29.504 272 HB3 GLU 34 HB1 GLU 34 23.643 18.190 27.844 273 HG2 GLU 34 HG2 GLU 34 23.259 15.905 27.153 274 HG3 GLU 34 HG1 GLU 34 23.002 15.390 28.817 275 H ALA 35 HN ALA 35 25.337 18.516 30.984 276 HA ALA 35 HA ALA 35 26.365 20.875 29.841 277 HB1 ALA 35 HB1 ALA 35 26.786 19.914 32.678 278 HB2 ALA 35 HB2 ALA 35 25.304 20.681 32.108 279 HB3 ALA 35 HB3 ALA 35 26.821 21.580 32.102 280 H GLU 36 HN GLU 36 27.964 18.060 31.271 281 HA GLU 36 HA GLU 36 30.595 19.072 31.272 282 HB2 GLU 36 HB2 GLU 36 29.911 17.021 32.473 283 HB3 GLU 36 HB1 GLU 36 29.680 16.206 30.928 284 HG2 GLU 36 HG2 GLU 36 32.049 16.514 30.378 285 HG3 GLU 36 HG1 GLU 36 32.298 17.405 31.879 286 H ARG 37 HN ARG 37 28.746 17.313 28.809 287 HA ARG 37 HA ARG 37 30.837 17.013 26.939 288 HB2 ARG 37 HB2 ARG 37 27.841 17.215 26.550 289 HB3 ARG 37 HB1 ARG 37 28.969 16.769 25.273 290 HG2 ARG 37 HG2 ARG 37 28.948 15.264 27.889 291 HG3 ARG 37 HG1 ARG 37 27.793 14.868 26.620 292 HD2 ARG 37 HD2 ARG 37 29.700 14.544 25.039 293 HD3 ARG 37 HD1 ARG 37 30.817 14.824 26.367 294 HE ARG 37 HE ARG 37 29.039 12.791 27.138 295 HH11 ARG 37 HH11 ARG 37 29.720 10.628 27.012 296 HH12 ARG 37 HH12 ARG 37 31.041 10.201 25.976 297 HH21 ARG 37 HH21 ARG 37 31.554 13.441 24.853 298 HH22 ARG 37 HH22 ARG 37 32.080 11.793 24.753 299 H LYS 38 HN LYS 38 28.498 19.602 27.486 300 HA LYS 38 HA LYS 38 29.066 21.142 25.200 301 HB2 LYS 38 HB2 LYS 38 27.115 21.535 26.660 302 HB3 LYS 38 HB1 LYS 38 28.192 22.082 27.944 303 HG2 LYS 38 HG2 LYS 38 28.985 23.926 26.523 304 HG3 LYS 38 HG1 LYS 38 27.960 23.361 25.202 305 HD2 LYS 38 HD2 LYS 38 25.960 23.716 26.613 306 HD3 LYS 38 HD1 LYS 38 26.992 24.304 27.917 307 HE2 LYS 38 HE2 LYS 38 26.823 25.542 25.153 308 HE3 LYS 38 HE1 LYS 38 26.008 26.165 26.587 309 HZ1 LYS 38 HZ1 LYS 38 27.859 27.221 27.128 310 HZ2 LYS 38 HZ2 LYS 38 28.653 26.593 25.763 311 HZ3 LYS 38 HZ3 LYS 38 28.689 25.746 27.236 312 H ALA 39 HN ALA 39 30.497 21.167 28.453 313 HA ALA 39 HA ALA 39 32.225 23.357 28.073 314 HB1 ALA 39 HB1 ALA 39 33.512 22.389 29.964 315 HB2 ALA 39 HB2 ALA 39 32.534 20.925 29.848 316 HB3 ALA 39 HB3 ALA 39 31.781 22.457 30.289 317 H LEU 40 HN LEU 40 32.649 19.896 27.436 318 HA LEU 40 HA LEU 40 35.389 19.995 26.753 319 HB2 LEU 40 HB2 LEU 40 33.183 18.104 25.917 320 HB3 LEU 40 HB1 LEU 40 34.879 17.858 25.508 321 HG LEU 40 HG LEU 40 33.850 18.183 28.343 322 HD11 LEU 40 HD11 LEU 40 32.995 16.128 27.167 323 HD12 LEU 40 HD12 LEU 40 34.017 15.780 28.561 324 HD13 LEU 40 HD13 LEU 40 34.670 15.632 26.929 325 HD21 LEU 40 HD21 LEU 40 36.548 17.672 27.105 326 HD22 LEU 40 HD22 LEU 40 36.184 16.928 28.661 327 HD23 LEU 40 HD23 LEU 40 36.125 18.677 28.489 328 H GLU 41 HN GLU 41 32.445 20.436 24.849 329 HA GLU 41 HA GLU 41 33.653 20.527 22.301 330 HB2 GLU 41 HB2 GLU 41 31.116 21.770 23.374 331 HB3 GLU 41 HB1 GLU 41 31.585 21.844 21.675 332 HG2 GLU 41 HG2 GLU 41 31.585 19.427 21.506 333 HG3 GLU 41 HG1 GLU 41 31.310 19.266 23.240 334 H ASP 42 HN ASP 42 33.051 23.028 24.730 335 HA ASP 42 HA ASP 42 33.781 25.263 23.179 336 HB2 ASP 42 HB2 ASP 42 33.879 24.748 26.153 337 HB3 ASP 42 HB1 ASP 42 34.279 26.308 25.438 338 H LYS 43 HN LYS 43 35.694 23.043 25.160 339 HA LYS 43 HA LYS 43 38.142 24.428 25.061 340 HB2 LYS 43 HB2 LYS 43 37.709 22.530 26.578 341 HB3 LYS 43 HB1 LYS 43 37.664 21.438 25.194 342 HG2 LYS 43 HG2 LYS 43 39.997 22.007 24.650 343 HG3 LYS 43 HG1 LYS 43 40.045 23.137 26.004 344 HD2 LYS 43 HD2 LYS 43 39.611 21.283 27.571 345 HD3 LYS 43 HD1 LYS 43 39.558 20.152 26.220 346 HE2 LYS 43 HE2 LYS 43 41.889 20.713 25.649 347 HE3 LYS 43 HE1 LYS 43 41.945 21.857 26.989 348 HZ1 LYS 43 HZ1 LYS 43 41.784 20.152 28.548 349 HZ2 LYS 43 HZ2 LYS 43 42.857 19.532 27.386 350 HZ3 LYS 43 HZ3 LYS 43 41.238 19.019 27.409 351 H LEU 44 HN LEU 44 36.746 21.976 22.903 352 HA LEU 44 HA LEU 44 38.955 21.746 21.158 353 HB2 LEU 44 HB2 LEU 44 35.996 21.301 20.720 354 HB3 LEU 44 HB1 LEU 44 37.223 20.901 19.523 355 HG LEU 44 HG LEU 44 37.214 19.824 22.359 356 HD11 LEU 44 HD11 LEU 44 36.301 18.474 19.801 357 HD12 LEU 44 HD12 LEU 44 35.228 19.077 21.064 358 HD13 LEU 44 HD13 LEU 44 36.335 17.747 21.407 359 HD21 LEU 44 HD21 LEU 44 39.410 19.536 21.613 360 HD22 LEU 44 HD22 LEU 44 38.936 19.396 19.922 361 HD23 LEU 44 HD23 LEU 44 38.682 18.046 21.025 362 H ALA 45 HN ALA 45 36.165 23.909 21.198 363 HA ALA 45 HA ALA 45 36.552 25.118 18.686 364 HB1 ALA 45 HB1 ALA 45 35.397 26.345 21.202 365 HB2 ALA 45 HB2 ALA 45 34.497 25.379 20.033 366 HB3 ALA 45 HB3 ALA 45 35.168 26.939 19.558 367 H ASP 46 HN ASP 46 37.893 25.848 21.878 368 HA ASP 46 HA ASP 46 39.140 28.288 21.240 369 HB2 ASP 46 HB2 ASP 46 39.801 26.153 23.271 370 HB3 ASP 46 HB1 ASP 46 40.684 27.675 23.161 371 H LYS 47 HN LYS 47 41.164 28.805 20.483 372 HA LYS 47 HA LYS 47 42.342 27.104 18.572 373 HB2 LYS 47 HB2 LYS 47 43.358 29.598 19.941 374 HB3 LYS 47 HB1 LYS 47 44.226 28.789 18.636 375 HG2 LYS 47 HG2 LYS 47 42.263 29.048 17.164 376 HG3 LYS 47 HG1 LYS 47 41.395 29.862 18.466 377 HD2 LYS 47 HD2 LYS 47 43.070 31.651 18.500 378 HD3 LYS 47 HD1 LYS 47 44.000 30.827 17.250 379 HE2 LYS 47 HE2 LYS 47 42.636 32.595 16.242 380 HE3 LYS 47 HE1 LYS 47 42.060 31.015 15.711 381 HZ1 LYS 47 HZ1 LYS 47 40.875 32.126 18.135 382 HZ2 LYS 47 HZ2 LYS 47 40.164 31.194 16.905 383 HZ3 LYS 47 HZ3 LYS 47 40.442 32.853 16.665 384 H GLN 48 HN GLN 48 43.186 27.805 21.939 385 HA GLN 48 HA GLN 48 45.639 26.346 21.921 386 HB2 GLN 48 HB2 GLN 48 43.815 27.239 24.161 387 HB3 GLN 48 HB1 GLN 48 45.358 26.429 24.430 388 HG2 GLN 48 HG2 GLN 48 46.561 28.200 23.311 389 HG3 GLN 48 HG1 GLN 48 45.057 28.958 22.792 390 HE21 GLN 48 HE21 GLN 48 47.208 30.113 24.544 391 HE22 GLN 48 HE22 GLN 48 46.431 30.526 25.995 392 H GLU 49 HN GLU 49 46.088 24.267 22.548 393 HA GLU 49 HA GLU 49 43.811 22.474 23.167 394 HB2 GLU 49 HB2 GLU 49 46.004 21.998 21.134 395 HB3 GLU 49 HB1 GLU 49 44.866 20.767 21.685 396 HG2 GLU 49 HG2 GLU 49 42.983 22.126 20.884 397 HG3 GLU 49 HG1 GLU 49 44.101 23.386 20.361 398 H HIS 50 HN HIS 50 44.324 20.667 24.429 399 HA HIS 50 HA HIS 50 46.482 21.056 26.264 400 HB2 HIS 50 HB2 HIS 50 45.696 18.722 27.069 401 HB3 HIS 50 HB1 HIS 50 44.578 20.076 27.219 402 HD2 HIS 50 HD2 HIS 50 44.751 18.867 23.583 403 HE1 HIS 50 HE1 HIS 50 41.385 16.984 25.293 404 HE2 HIS 50 HE2 HIS 50 42.596 17.473 23.116 405 H LEU 51 HN LEU 51 48.073 19.378 26.781 406 HA LEU 51 HA LEU 51 49.676 18.730 24.541 407 HB2 LEU 51 HB2 LEU 51 49.788 17.847 27.426 408 HB3 LEU 51 HB1 LEU 51 50.994 17.375 26.235 409 HG LEU 51 HG LEU 51 50.275 20.263 26.847 410 HD11 LEU 51 HD11 LEU 51 52.462 20.272 28.079 411 HD12 LEU 51 HD12 LEU 51 52.512 18.517 27.911 412 HD13 LEU 51 HD13 LEU 51 51.224 19.277 28.846 413 HD21 LEU 51 HD21 LEU 51 52.301 18.891 25.083 414 HD22 LEU 51 HD22 LEU 51 52.719 20.438 25.817 415 HD23 LEU 51 HD23 LEU 51 51.322 20.321 24.756 416 H ASP 52 HN ASP 52 47.414 16.826 26.468 417 HA ASP 52 HA ASP 52 48.119 14.326 25.256 418 HB2 ASP 52 HB2 ASP 52 46.208 13.432 26.446 419 HB3 ASP 52 HB1 ASP 52 47.096 14.519 27.512 420 H GLY 53 HN GLY 53 46.676 16.942 23.915 421 HA2 GLY 53 HA2 GLY 53 44.404 15.927 22.594 422 HA3 GLY 53 HA1 GLY 53 45.395 17.268 22.027 423 H ALA 54 HN ALA 54 47.840 15.888 21.731 424 HA ALA 54 HA ALA 54 47.578 14.865 19.121 425 HB1 ALA 54 HB1 ALA 54 49.851 14.368 21.055 426 HB2 ALA 54 HB2 ALA 54 49.668 15.833 20.091 427 HB3 ALA 54 HB3 ALA 54 49.920 14.279 19.295 428 H LEU 55 HN LEU 55 47.821 13.249 22.263 429 HA LEU 55 HA LEU 55 48.063 10.607 21.300 430 HB2 LEU 55 HB2 LEU 55 46.918 11.704 23.874 431 HB3 LEU 55 HB1 LEU 55 47.143 9.985 23.570 432 HG LEU 55 HG LEU 55 49.370 12.038 23.395 433 HD11 LEU 55 HD11 LEU 55 48.552 11.929 25.688 434 HD12 LEU 55 HD12 LEU 55 50.099 11.088 25.587 435 HD13 LEU 55 HD13 LEU 55 48.597 10.166 25.653 436 HD21 LEU 55 HD21 LEU 55 50.665 9.743 23.796 437 HD22 LEU 55 HD22 LEU 55 50.152 10.204 22.179 438 HD23 LEU 55 HD23 LEU 55 49.203 9.042 23.103 439 H ARG 56 HN ARG 56 45.240 12.613 22.026 440 HA ARG 56 HA ARG 56 43.329 10.534 21.567 441 HB2 ARG 56 HB2 ARG 56 43.073 13.547 21.641 442 HB3 ARG 56 HB1 ARG 56 41.702 12.452 21.457 443 HG2 ARG 56 HG2 ARG 56 42.290 11.351 23.587 444 HG3 ARG 56 HG1 ARG 56 43.658 12.451 23.775 445 HD2 ARG 56 HD2 ARG 56 42.113 14.373 23.795 446 HD3 ARG 56 HD1 ARG 56 40.746 13.279 23.604 447 HE ARG 56 HE ARG 56 42.234 12.487 25.868 448 HH11 ARG 56 HH11 ARG 56 41.473 13.060 27.930 449 HH12 ARG 56 HH12 ARG 56 40.352 14.368 28.101 450 HH21 ARG 56 HH21 ARG 56 40.230 15.055 24.703 451 HH22 ARG 56 HH22 ARG 56 39.647 15.498 26.274 452 H TYR 57 HN TYR 57 42.092 10.107 19.759 453 HA TYR 57 HA TYR 57 43.215 10.208 17.256 454 HB2 TYR 57 HB2 TYR 57 41.292 8.804 17.738 455 HB3 TYR 57 HB1 TYR 57 40.274 10.225 17.972 456 HD1 TYR 57 HD1 TYR 57 42.365 8.434 15.452 457 HD2 TYR 57 HD2 TYR 57 39.233 11.296 16.126 458 HE1 TYR 57 HE1 TYR 57 41.893 8.491 13.018 459 HE2 TYR 57 HE2 TYR 57 38.762 11.353 13.692 460 HH TYR 57 HH TYR 57 40.845 9.735 11.380 Start of MODEL 10 1 H1 GLY 1 HT1 GLY 1 12.781 -13.341 66.131 2 H2 GLY 1 HT2 GLY 1 12.477 -14.575 65.002 3 H3 GLY 1 HT3 GLY 1 11.751 -13.050 64.816 4 HA2 GLY 1 HA2 GLY 1 14.585 -13.800 64.430 5 HA3 GLY 1 HA1 GLY 1 13.488 -13.040 63.276 6 H SER 2 HN SER 2 15.458 -12.545 66.129 7 HA SER 2 HA SER 2 14.793 -9.846 66.645 8 HB2 SER 2 HB2 SER 2 16.873 -9.775 67.916 9 HB3 SER 2 HB1 SER 2 16.036 -11.294 68.225 10 HG SER 2 HG SER 2 17.796 -12.211 67.554 11 H ALA 3 HN ALA 3 16.730 -11.346 64.204 12 HA ALA 3 HA ALA 3 18.453 -9.220 63.538 13 HB1 ALA 3 HB1 ALA 3 18.488 -10.318 61.262 14 HB2 ALA 3 HB2 ALA 3 17.276 -11.447 61.867 15 HB3 ALA 3 HB3 ALA 3 18.875 -11.388 62.610 16 H GLY 4 HN GLY 4 15.150 -9.980 62.525 17 HA2 GLY 4 HA2 GLY 4 13.501 -8.505 61.796 18 HA3 GLY 4 HA1 GLY 4 14.692 -7.208 61.804 19 H LEU 5 HN LEU 5 16.069 -9.761 60.209 20 HA LEU 5 HA LEU 5 15.580 -8.528 57.599 21 HB2 LEU 5 HB2 LEU 5 17.446 -10.769 58.421 22 HB3 LEU 5 HB1 LEU 5 17.382 -10.025 56.824 23 HG LEU 5 HG LEU 5 18.015 -8.548 59.401 24 HD11 LEU 5 HD11 LEU 5 19.753 -9.657 57.188 25 HD12 LEU 5 HD12 LEU 5 19.862 -9.980 58.918 26 HD13 LEU 5 HD13 LEU 5 20.310 -8.396 58.287 27 HD21 LEU 5 HD21 LEU 5 18.870 -6.870 57.538 28 HD22 LEU 5 HD22 LEU 5 17.167 -6.893 57.977 29 HD23 LEU 5 HD23 LEU 5 17.710 -7.722 56.517 30 H GLN 6 HN GLN 6 14.211 -10.935 59.454 31 HA GLN 6 HA GLN 6 13.744 -12.995 57.590 32 HB2 GLN 6 HB2 GLN 6 13.341 -13.165 60.051 33 HB3 GLN 6 HB1 GLN 6 11.938 -12.116 59.857 34 HG2 GLN 6 HG2 GLN 6 11.218 -14.450 59.870 35 HG3 GLN 6 HG1 GLN 6 10.956 -13.762 58.270 36 HE21 GLN 6 HE21 GLN 6 11.528 -15.257 56.692 37 HE22 GLN 6 HE22 GLN 6 12.850 -16.318 56.787 38 H GLU 7 HN GLU 7 11.974 -10.019 58.320 39 HA GLU 7 HA GLU 7 9.785 -10.572 56.563 40 HB2 GLU 7 HB2 GLU 7 10.796 -7.970 57.744 41 HB3 GLU 7 HB1 GLU 7 9.288 -8.141 56.850 42 HG2 GLU 7 HG2 GLU 7 8.581 -8.354 59.077 43 HG3 GLU 7 HG1 GLU 7 8.744 -10.032 58.569 44 H LYS 8 HN LYS 8 9.411 -9.880 54.486 45 HA LYS 8 HA LYS 8 11.707 -9.519 52.820 46 HB2 LYS 8 HB2 LYS 8 8.743 -9.427 52.248 47 HB3 LYS 8 HB1 LYS 8 9.973 -9.211 51.002 48 HG2 LYS 8 HG2 LYS 8 10.940 -11.412 51.568 49 HG3 LYS 8 HG1 LYS 8 9.707 -11.637 52.808 50 HD2 LYS 8 HD2 LYS 8 7.945 -11.505 51.092 51 HD3 LYS 8 HD1 LYS 8 9.173 -11.273 49.847 52 HE2 LYS 8 HE2 LYS 8 10.150 -13.470 50.395 53 HE3 LYS 8 HE1 LYS 8 8.929 -13.702 51.645 54 HZ1 LYS 8 HZ1 LYS 8 8.696 -14.432 49.035 55 HZ2 LYS 8 HZ2 LYS 8 7.796 -12.992 49.115 56 HZ3 LYS 8 HZ3 LYS 8 7.419 -14.290 50.142 57 H GLU 9 HN GLU 9 9.544 -7.372 54.445 58 HA GLU 9 HA GLU 9 9.418 -5.074 54.544 59 HB2 GLU 9 HB2 GLU 9 12.143 -5.152 53.231 60 HB3 GLU 9 HB1 GLU 9 11.456 -3.837 54.180 61 HG2 GLU 9 HG2 GLU 9 11.973 -6.622 55.252 62 HG3 GLU 9 HG1 GLU 9 13.054 -5.252 55.486 63 H ARG 10 HN ARG 10 8.111 -6.241 52.350 64 HA ARG 10 HA ARG 10 8.793 -5.176 49.838 65 HB2 ARG 10 HB2 ARG 10 6.129 -6.007 50.998 66 HB3 ARG 10 HB1 ARG 10 6.355 -5.554 49.310 67 HG2 ARG 10 HG2 ARG 10 8.163 -7.331 49.185 68 HG3 ARG 10 HG1 ARG 10 7.635 -7.869 50.780 69 HD2 ARG 10 HD2 ARG 10 5.862 -7.670 48.330 70 HD3 ARG 10 HD1 ARG 10 6.547 -9.164 48.963 71 HE ARG 10 HE ARG 10 4.344 -7.632 50.114 72 HH11 ARG 10 HH11 ARG 10 3.250 -8.672 51.807 73 HH12 ARG 10 HH12 ARG 10 3.929 -10.095 52.525 74 HH21 ARG 10 HH21 ARG 10 6.732 -10.111 50.486 75 HH22 ARG 10 HH22 ARG 10 5.899 -10.909 51.778 76 H GLU 11 HN GLU 11 6.793 -3.875 52.463 77 HA GLU 11 HA GLU 11 5.710 -1.687 51.078 78 HB2 GLU 11 HB2 GLU 11 4.900 -2.430 53.281 79 HB3 GLU 11 HB1 GLU 11 6.414 -1.909 54.018 80 HG2 GLU 11 HG2 GLU 11 4.688 -0.201 54.343 81 HG3 GLU 11 HG1 GLU 11 5.950 0.424 53.286 82 H LEU 12 HN LEU 12 8.712 -1.936 52.992 83 HA LEU 12 HA LEU 12 9.480 0.772 52.658 84 HB2 LEU 12 HB2 LEU 12 11.092 -1.717 53.241 85 HB3 LEU 12 HB1 LEU 12 11.786 -0.098 53.225 86 HG LEU 12 HG LEU 12 9.429 -0.916 54.953 87 HD11 LEU 12 HD11 LEU 12 11.214 -0.715 56.802 88 HD12 LEU 12 HD12 LEU 12 12.398 -0.853 55.502 89 HD13 LEU 12 HD13 LEU 12 11.255 -2.163 55.797 90 HD21 LEU 12 HD21 LEU 12 11.017 1.615 54.583 91 HD22 LEU 12 HD22 LEU 12 10.421 1.236 56.196 92 HD23 LEU 12 HD23 LEU 12 9.289 1.409 54.862 93 H GLU 13 HN GLU 13 10.102 -2.149 50.779 94 HA GLU 13 HA GLU 13 11.968 -1.015 48.973 95 HB2 GLU 13 HB2 GLU 13 10.089 -3.368 48.726 96 HB3 GLU 13 HB1 GLU 13 11.229 -2.918 47.459 97 HG2 GLU 13 HG2 GLU 13 13.110 -3.232 48.946 98 HG3 GLU 13 HG1 GLU 13 12.045 -3.470 50.329 99 H ASP 14 HN ASP 14 8.441 -1.227 48.956 100 HA ASP 14 HA ASP 14 7.991 -0.291 46.342 101 HB2 ASP 14 HB2 ASP 14 6.248 -1.313 47.773 102 HB3 ASP 14 HB1 ASP 14 6.265 0.123 48.794 103 H LEU 15 HN LEU 15 8.340 1.450 49.418 104 HA LEU 15 HA LEU 15 7.787 4.033 48.420 105 HB2 LEU 15 HB2 LEU 15 9.469 3.106 50.755 106 HB3 LEU 15 HB1 LEU 15 9.104 4.799 50.436 107 HG LEU 15 HG LEU 15 6.990 2.651 50.791 108 HD11 LEU 15 HD11 LEU 15 6.666 3.634 53.045 109 HD12 LEU 15 HD12 LEU 15 8.060 4.681 52.776 110 HD13 LEU 15 HD13 LEU 15 8.274 2.933 52.862 111 HD21 LEU 15 HD21 LEU 15 5.685 4.907 51.348 112 HD22 LEU 15 HD22 LEU 15 5.894 4.390 49.679 113 HD23 LEU 15 HD23 LEU 15 6.946 5.632 50.351 114 H LYS 16 HN LYS 16 10.785 2.171 48.656 115 HA LYS 16 HA LYS 16 12.557 4.222 47.866 116 HB2 LYS 16 HB2 LYS 16 12.722 1.214 47.616 117 HB3 LYS 16 HB1 LYS 16 14.049 2.296 47.194 118 HG2 LYS 16 HG2 LYS 16 14.030 3.219 49.482 119 HG3 LYS 16 HG1 LYS 16 12.706 2.134 49.908 120 HD2 LYS 16 HD2 LYS 16 14.140 0.188 49.388 121 HD3 LYS 16 HD1 LYS 16 15.468 1.279 48.993 122 HE2 LYS 16 HE2 LYS 16 14.087 1.133 51.689 123 HE3 LYS 16 HE1 LYS 16 15.646 0.402 51.312 124 HZ1 LYS 16 HZ1 LYS 16 16.357 2.702 50.618 125 HZ2 LYS 16 HZ2 LYS 16 16.121 2.469 52.284 126 HZ3 LYS 16 HZ3 LYS 16 14.946 3.277 51.360 127 H ASP 17 HN ASP 17 10.676 1.865 46.020 128 HA ASP 17 HA ASP 17 11.792 2.362 43.484 129 HB2 ASP 17 HB2 ASP 17 10.311 0.445 44.001 130 HB3 ASP 17 HB1 ASP 17 8.950 1.556 44.146 131 H ALA 18 HN ALA 18 9.061 3.869 45.176 132 HA ALA 18 HA ALA 18 8.211 5.550 43.083 133 HB1 ALA 18 HB1 ALA 18 7.264 6.955 44.972 134 HB2 ALA 18 HB2 ALA 18 8.012 5.809 46.086 135 HB3 ALA 18 HB3 ALA 18 6.768 5.262 44.962 136 H GLU 19 HN GLU 19 10.640 5.998 45.620 137 HA GLU 19 HA GLU 19 11.193 8.722 45.126 138 HB2 GLU 19 HB2 GLU 19 12.886 6.498 46.276 139 HB3 GLU 19 HB1 GLU 19 13.414 8.180 46.211 140 HG2 GLU 19 HG2 GLU 19 11.536 8.885 47.570 141 HG3 GLU 19 HG1 GLU 19 10.837 7.266 47.519 142 H LEU 20 HN LEU 20 12.515 5.746 43.737 143 HA LEU 20 HA LEU 20 14.588 6.939 42.231 144 HB2 LEU 20 HB2 LEU 20 13.011 4.393 41.809 145 HB3 LEU 20 HB1 LEU 20 14.404 4.843 40.831 146 HG LEU 20 HG LEU 20 14.470 4.585 43.853 147 HD11 LEU 20 HD11 LEU 20 15.503 2.628 41.781 148 HD12 LEU 20 HD12 LEU 20 13.982 2.429 42.650 149 HD13 LEU 20 HD13 LEU 20 15.509 2.423 43.531 150 HD21 LEU 20 HD21 LEU 20 16.322 5.907 43.339 151 HD22 LEU 20 HD22 LEU 20 16.509 5.220 41.726 152 HD23 LEU 20 HD23 LEU 20 17.026 4.306 43.141 153 H LYS 21 HN LYS 21 11.184 6.308 41.514 154 HA LYS 21 HA LYS 21 11.226 6.978 38.789 155 HB2 LYS 21 HB2 LYS 21 9.317 5.860 39.837 156 HB3 LYS 21 HB1 LYS 21 8.999 7.284 40.821 157 HG2 LYS 21 HG2 LYS 21 7.472 7.215 38.903 158 HG3 LYS 21 HG1 LYS 21 8.551 8.598 38.760 159 HD2 LYS 21 HD2 LYS 21 9.851 7.553 37.072 160 HD3 LYS 21 HD1 LYS 21 9.198 5.954 37.442 161 HE2 LYS 21 HE2 LYS 21 7.609 8.274 36.302 162 HE3 LYS 21 HE1 LYS 21 8.219 6.909 35.368 163 HZ1 LYS 21 HZ1 LYS 21 6.835 5.955 37.623 164 HZ2 LYS 21 HZ2 LYS 21 6.474 5.720 35.979 165 HZ3 LYS 21 HZ3 LYS 21 5.845 7.065 36.807 166 H ARG 22 HN ARG 22 10.676 8.978 41.672 167 HA ARG 22 HA ARG 22 10.122 11.399 40.348 168 HB2 ARG 22 HB2 ARG 22 9.725 11.030 42.761 169 HB3 ARG 22 HB1 ARG 22 11.468 10.989 43.031 170 HG2 ARG 22 HG2 ARG 22 11.678 13.291 42.216 171 HG3 ARG 22 HG1 ARG 22 9.954 13.338 41.849 172 HD2 ARG 22 HD2 ARG 22 9.437 12.984 44.236 173 HD3 ARG 22 HD1 ARG 22 11.160 12.938 44.602 174 HE ARG 22 HE ARG 22 9.572 15.300 44.007 175 HH11 ARG 22 HH11 ARG 22 10.669 17.275 44.253 176 HH12 ARG 22 HH12 ARG 22 12.394 17.288 44.411 177 HH21 ARG 22 HH21 ARG 22 12.705 13.841 44.189 178 HH22 ARG 22 HH22 ARG 22 13.546 15.344 44.375 179 H LEU 23 HN LEU 23 13.180 9.981 41.461 180 HA LEU 23 HA LEU 23 14.851 12.144 40.796 181 HB2 LEU 23 HB2 LEU 23 15.586 10.287 42.222 182 HB3 LEU 23 HB1 LEU 23 15.472 9.178 40.859 183 HG LEU 23 HG LEU 23 17.211 10.469 39.658 184 HD11 LEU 23 HD11 LEU 23 18.506 12.128 41.239 185 HD12 LEU 23 HD12 LEU 23 16.968 12.228 42.095 186 HD13 LEU 23 HD13 LEU 23 17.065 12.691 40.397 187 HD21 LEU 23 HD21 LEU 23 19.095 9.975 41.316 188 HD22 LEU 23 HD22 LEU 23 18.018 8.627 40.951 189 HD23 LEU 23 HD23 LEU 23 17.835 9.517 42.462 190 H ASN 24 HN ASN 24 13.826 9.306 38.925 191 HA ASN 24 HA ASN 24 15.384 9.784 36.632 192 HB2 ASN 24 HB2 ASN 24 14.102 7.680 37.163 193 HB3 ASN 24 HB1 ASN 24 12.635 8.530 36.683 194 HD21 ASN 24 HD21 ASN 24 12.244 7.281 34.758 195 HD22 ASN 24 HD22 ASN 24 13.283 7.334 33.416 196 H GLU 25 HN GLU 25 12.154 10.917 37.546 197 HA GLU 25 HA GLU 25 11.506 12.177 35.104 198 HB2 GLU 25 HB2 GLU 25 10.611 12.700 37.943 199 HB3 GLU 25 HB1 GLU 25 9.936 13.543 36.548 200 HG2 GLU 25 HG2 GLU 25 9.183 11.458 35.575 201 HG3 GLU 25 HG1 GLU 25 10.008 10.527 36.825 202 H GLU 26 HN GLU 26 13.222 13.312 37.980 203 HA GLU 26 HA GLU 26 13.407 16.036 37.266 204 HB2 GLU 26 HB2 GLU 26 15.170 14.276 38.979 205 HB3 GLU 26 HB1 GLU 26 15.414 16.015 38.810 206 HG2 GLU 26 HG2 GLU 26 13.204 16.472 39.695 207 HG3 GLU 26 HG1 GLU 26 12.810 14.755 39.707 208 H ARG 27 HN ARG 27 15.451 13.248 36.522 209 HA ARG 27 HA ARG 27 17.174 12.957 35.028 210 HB2 ARG 27 HB2 ARG 27 15.851 15.314 33.660 211 HB3 ARG 27 HB1 ARG 27 17.015 14.215 32.924 212 HG2 ARG 27 HG2 ARG 27 15.465 12.318 33.383 213 HG3 ARG 27 HG1 ARG 27 14.284 13.469 34.008 214 HD2 ARG 27 HD2 ARG 27 13.719 13.024 31.705 215 HD3 ARG 27 HD1 ARG 27 14.375 14.656 31.792 216 HE ARG 27 HE ARG 27 16.209 13.939 30.544 217 HH11 ARG 27 HH11 ARG 27 17.316 12.398 29.297 218 HH12 ARG 27 HH12 ARG 27 16.868 10.728 29.396 219 HH21 ARG 27 HH21 ARG 27 14.345 11.268 31.713 220 HH22 ARG 27 HH22 ARG 27 15.186 10.088 30.764 221 H HIS 28 HN HIS 28 17.548 14.747 37.341 222 HA HIS 28 HA HIS 28 19.024 17.046 36.676 223 HB2 HIS 28 HB2 HIS 28 18.168 16.603 38.939 224 HB3 HIS 28 HB1 HIS 28 19.302 15.262 39.105 225 HD2 HIS 28 HD2 HIS 28 19.356 19.193 39.086 226 HE1 HIS 28 HE1 HIS 28 23.226 17.830 40.077 227 HE2 HIS 28 HE2 HIS 28 21.741 19.882 39.891 228 H ASP 29 HN ASP 29 20.084 13.709 37.308 229 HA ASP 29 HA ASP 29 22.851 14.167 37.086 230 HB2 ASP 29 HB2 ASP 29 21.166 11.710 36.594 231 HB3 ASP 29 HB1 ASP 29 22.926 11.695 36.512 232 H HIS 30 HN HIS 30 20.408 13.392 34.639 233 HA HIS 30 HA HIS 30 22.183 12.989 32.476 234 HB2 HIS 30 HB2 HIS 30 19.304 13.900 32.572 235 HB3 HIS 30 HB1 HIS 30 20.163 13.563 31.071 236 HD2 HIS 30 HD2 HIS 30 21.527 10.920 33.275 237 HE1 HIS 30 HE1 HIS 30 17.877 9.278 31.934 238 HE2 HIS 30 HE2 HIS 30 20.092 8.754 33.059 239 H ASP 31 HN ASP 31 20.618 15.888 33.765 240 HA ASP 31 HA ASP 31 21.357 17.674 31.718 241 HB2 ASP 31 HB2 ASP 31 19.699 18.193 33.483 242 HB3 ASP 31 HB1 ASP 31 21.004 18.260 34.666 243 H LYS 32 HN LYS 32 23.017 16.722 34.710 244 HA LYS 32 HA LYS 32 25.193 18.495 34.512 245 HB2 LYS 32 HB2 LYS 32 24.680 17.216 36.552 246 HB3 LYS 32 HB1 LYS 32 25.111 15.723 35.717 247 HG2 LYS 32 HG2 LYS 32 27.398 16.404 35.483 248 HG3 LYS 32 HG1 LYS 32 27.027 18.052 35.982 249 HD2 LYS 32 HD2 LYS 32 28.019 17.038 37.889 250 HD3 LYS 32 HD1 LYS 32 26.289 17.042 38.226 251 HE2 LYS 32 HE2 LYS 32 27.287 14.862 38.790 252 HE3 LYS 32 HE1 LYS 32 26.144 14.687 37.464 253 HZ1 LYS 32 HZ1 LYS 32 27.785 14.272 35.978 254 HZ2 LYS 32 HZ2 LYS 32 28.572 13.695 37.369 255 HZ3 LYS 32 HZ3 LYS 32 28.923 15.247 36.774 256 H ARG 33 HN ARG 33 24.756 15.188 33.287 257 HA ARG 33 HA ARG 33 27.343 14.840 32.234 258 HB2 ARG 33 HB2 ARG 33 25.733 12.995 32.515 259 HB3 ARG 33 HB1 ARG 33 24.728 13.680 31.239 260 HG2 ARG 33 HG2 ARG 33 26.497 13.376 29.604 261 HG3 ARG 33 HG1 ARG 33 27.620 12.852 30.860 262 HD2 ARG 33 HD2 ARG 33 25.033 11.422 30.195 263 HD3 ARG 33 HD1 ARG 33 26.608 10.957 29.558 264 HE ARG 33 HE ARG 33 26.843 11.084 32.343 265 HH11 ARG 33 HH11 ARG 33 26.692 9.182 33.577 266 HH12 ARG 33 HH12 ARG 33 25.891 7.792 32.923 267 HH21 ARG 33 HH21 ARG 33 25.115 9.328 29.912 268 HH22 ARG 33 HH22 ARG 33 24.997 7.876 30.848 269 H GLU 34 HN GLU 34 24.379 16.140 30.772 270 HA GLU 34 HA GLU 34 25.400 16.520 28.173 271 HB2 GLU 34 HB2 GLU 34 22.986 16.620 28.786 272 HB3 GLU 34 HB1 GLU 34 23.280 18.161 29.584 273 HG2 GLU 34 HG2 GLU 34 24.063 17.728 26.696 274 HG3 GLU 34 HG1 GLU 34 22.423 18.201 27.133 275 H ALA 35 HN ALA 35 25.366 18.620 31.026 276 HA ALA 35 HA ALA 35 26.396 20.941 29.809 277 HB1 ALA 35 HB1 ALA 35 26.714 19.960 32.658 278 HB2 ALA 35 HB2 ALA 35 25.405 20.971 32.045 279 HB3 ALA 35 HB3 ALA 35 27.052 21.600 32.100 280 H GLU 36 HN GLU 36 27.997 18.137 31.263 281 HA GLU 36 HA GLU 36 30.638 19.118 31.182 282 HB2 GLU 36 HB2 GLU 36 29.960 17.097 32.438 283 HB3 GLU 36 HB1 GLU 36 29.682 16.255 30.914 284 HG2 GLU 36 HG2 GLU 36 32.041 16.528 30.302 285 HG3 GLU 36 HG1 GLU 36 32.335 17.444 31.780 286 H ARG 37 HN ARG 37 28.714 17.328 28.798 287 HA ARG 37 HA ARG 37 30.742 16.941 26.886 288 HB2 ARG 37 HB2 ARG 37 28.564 15.788 26.806 289 HB3 ARG 37 HB1 ARG 37 27.771 17.319 26.436 290 HG2 ARG 37 HG2 ARG 37 29.000 17.520 24.353 291 HG3 ARG 37 HG1 ARG 37 29.967 16.098 24.742 292 HD2 ARG 37 HD2 ARG 37 26.956 16.061 24.426 293 HD3 ARG 37 HD1 ARG 37 28.084 15.630 23.144 294 HE ARG 37 HE ARG 37 28.747 14.093 25.387 295 HH11 ARG 37 HH11 ARG 37 28.000 11.955 25.551 296 HH12 ARG 37 HH12 ARG 37 26.609 11.458 24.646 297 HH21 ARG 37 HH21 ARG 37 26.118 14.565 23.189 298 HH22 ARG 37 HH22 ARG 37 25.544 12.935 23.308 299 H LYS 38 HN LYS 38 28.418 19.592 27.325 300 HA LYS 38 HA LYS 38 29.115 21.078 25.038 301 HB2 LYS 38 HB2 LYS 38 27.093 21.518 26.387 302 HB3 LYS 38 HB1 LYS 38 28.108 22.085 27.712 303 HG2 LYS 38 HG2 LYS 38 28.991 23.889 26.295 304 HG3 LYS 38 HG1 LYS 38 28.027 23.306 24.936 305 HD2 LYS 38 HD2 LYS 38 25.963 23.708 26.239 306 HD3 LYS 38 HD1 LYS 38 26.935 24.315 27.579 307 HE2 LYS 38 HE2 LYS 38 26.912 25.494 24.785 308 HE3 LYS 38 HE1 LYS 38 26.036 26.155 26.166 309 HZ1 LYS 38 HZ1 LYS 38 28.975 25.860 25.886 310 HZ2 LYS 38 HZ2 LYS 38 28.202 26.303 27.332 311 HZ3 LYS 38 HZ3 LYS 38 28.096 27.307 25.965 312 H ALA 39 HN ALA 39 30.370 21.158 28.358 313 HA ALA 39 HA ALA 39 32.146 23.319 28.029 314 HB1 ALA 39 HB1 ALA 39 33.276 22.445 30.025 315 HB2 ALA 39 HB2 ALA 39 32.409 20.918 29.857 316 HB3 ALA 39 HB3 ALA 39 31.525 22.397 30.230 317 H LEU 40 HN LEU 40 32.529 19.847 27.466 318 HA LEU 40 HA LEU 40 35.297 19.836 26.967 319 HB2 LEU 40 HB2 LEU 40 34.007 17.782 27.332 320 HB3 LEU 40 HB1 LEU 40 33.130 18.051 25.828 321 HG LEU 40 HG LEU 40 35.248 17.869 24.558 322 HD11 LEU 40 HD11 LEU 40 36.388 17.634 27.340 323 HD12 LEU 40 HD12 LEU 40 36.973 18.586 25.976 324 HD13 LEU 40 HD13 LEU 40 37.200 16.840 25.989 325 HD21 LEU 40 HD21 LEU 40 33.812 15.861 25.148 326 HD22 LEU 40 HD22 LEU 40 34.946 15.529 26.458 327 HD23 LEU 40 HD23 LEU 40 35.497 15.488 24.783 328 H GLU 41 HN GLU 41 32.527 20.272 24.782 329 HA GLU 41 HA GLU 41 34.009 20.444 22.384 330 HB2 GLU 41 HB2 GLU 41 31.323 21.602 23.156 331 HB3 GLU 41 HB1 GLU 41 31.976 21.641 21.518 332 HG2 GLU 41 HG2 GLU 41 31.623 19.095 23.117 333 HG3 GLU 41 HG1 GLU 41 30.428 19.700 21.972 334 H ASP 42 HN ASP 42 33.021 22.883 24.748 335 HA ASP 42 HA ASP 42 34.291 25.024 23.208 336 HB2 ASP 42 HB2 ASP 42 32.081 25.221 24.541 337 HB3 ASP 42 HB1 ASP 42 33.103 25.288 25.974 338 H LYS 43 HN LYS 43 35.257 26.612 25.302 339 HA LYS 43 HA LYS 43 37.148 27.016 26.505 340 HB2 LYS 43 HB2 LYS 43 36.829 24.101 27.253 341 HB3 LYS 43 HB1 LYS 43 37.966 25.211 28.009 342 HG2 LYS 43 HG2 LYS 43 36.103 26.683 28.671 343 HG3 LYS 43 HG1 LYS 43 34.958 25.571 27.920 344 HD2 LYS 43 HD2 LYS 43 35.661 23.783 29.453 345 HD3 LYS 43 HD1 LYS 43 36.838 24.869 30.193 346 HE2 LYS 43 HE2 LYS 43 34.806 24.789 31.561 347 HE3 LYS 43 HE1 LYS 43 34.986 26.392 30.848 348 HZ1 LYS 43 HZ1 LYS 43 33.526 24.525 29.208 349 HZ2 LYS 43 HZ2 LYS 43 33.161 26.134 29.613 350 HZ3 LYS 43 HZ3 LYS 43 32.768 24.875 30.684 351 H LEU 44 HN LEU 44 37.126 24.679 24.016 352 HA LEU 44 HA LEU 44 39.878 23.992 23.953 353 HB2 LEU 44 HB2 LEU 44 37.774 24.085 21.780 354 HB3 LEU 44 HB1 LEU 44 39.399 23.451 21.537 355 HG LEU 44 HG LEU 44 37.471 22.428 23.645 356 HD11 LEU 44 HD11 LEU 44 37.001 20.581 22.179 357 HD12 LEU 44 HD12 LEU 44 38.224 21.110 21.024 358 HD13 LEU 44 HD13 LEU 44 36.749 22.053 21.243 359 HD21 LEU 44 HD21 LEU 44 39.193 20.412 23.341 360 HD22 LEU 44 HD22 LEU 44 39.570 21.757 24.410 361 HD23 LEU 44 HD23 LEU 44 40.267 21.700 22.792 362 H ALA 45 HN ALA 45 37.959 26.610 22.582 363 HA ALA 45 HA ALA 45 39.936 27.746 20.927 364 HB1 ALA 45 HB1 ALA 45 38.587 29.845 21.172 365 HB2 ALA 45 HB2 ALA 45 37.606 29.016 22.380 366 HB3 ALA 45 HB3 ALA 45 37.632 28.433 20.716 367 H ASP 46 HN ASP 46 39.192 28.216 24.357 368 HA ASP 46 HA ASP 46 41.266 30.234 24.668 369 HB2 ASP 46 HB2 ASP 46 39.174 30.376 25.965 370 HB3 ASP 46 HB1 ASP 46 39.552 28.837 26.736 371 H LYS 47 HN LYS 47 43.303 29.494 24.531 372 HA LYS 47 HA LYS 47 44.153 26.882 25.192 373 HB2 LYS 47 HB2 LYS 47 45.404 28.398 23.688 374 HB3 LYS 47 HB1 LYS 47 45.792 29.427 25.066 375 HG2 LYS 47 HG2 LYS 47 46.978 27.560 26.147 376 HG3 LYS 47 HG1 LYS 47 46.563 26.505 24.796 377 HD2 LYS 47 HD2 LYS 47 47.814 27.973 23.259 378 HD3 LYS 47 HD1 LYS 47 48.227 29.032 24.607 379 HE2 LYS 47 HE2 LYS 47 49.409 27.175 25.716 380 HE3 LYS 47 HE1 LYS 47 48.991 26.105 24.378 381 HZ1 LYS 47 HZ1 LYS 47 50.705 26.867 23.231 382 HZ2 LYS 47 HZ2 LYS 47 51.178 27.799 24.570 383 HZ3 LYS 47 HZ3 LYS 47 50.165 28.468 23.382 384 H GLN 48 HN GLN 48 44.740 25.967 27.066 385 HA GLN 48 HA GLN 48 45.429 27.623 29.386 386 HB2 GLN 48 HB2 GLN 48 42.946 27.248 29.460 387 HB3 GLN 48 HB1 GLN 48 43.257 25.516 29.516 388 HG2 GLN 48 HG2 GLN 48 42.922 26.353 31.785 389 HG3 GLN 48 HG1 GLN 48 44.597 25.846 31.585 390 HE21 GLN 48 HE21 GLN 48 45.962 27.312 32.602 391 HE22 GLN 48 HE22 GLN 48 45.745 28.996 32.619 392 H GLU 49 HN GLU 49 46.906 26.669 30.698 393 HA GLU 49 HA GLU 49 48.367 24.444 29.769 394 HB2 GLU 49 HB2 GLU 49 48.290 25.822 32.459 395 HB3 GLU 49 HB1 GLU 49 49.425 24.529 32.066 396 HG2 GLU 49 HG2 GLU 49 50.365 25.823 30.246 397 HG3 GLU 49 HG1 GLU 49 49.139 27.074 30.447 398 H HIS 50 HN HIS 50 45.855 24.749 32.244 399 HA HIS 50 HA HIS 50 46.033 22.162 33.325 400 HB2 HIS 50 HB2 HIS 50 44.728 23.923 34.397 401 HB3 HIS 50 HB1 HIS 50 43.618 23.964 33.028 402 HD2 HIS 50 HD2 HIS 50 41.501 22.202 33.285 403 HE1 HIS 50 HE1 HIS 50 43.134 19.758 36.316 404 HE2 HIS 50 HE2 HIS 50 41.070 20.197 34.902 405 H LEU 51 HN LEU 51 44.020 23.407 30.659 406 HA LEU 51 HA LEU 51 42.743 20.943 30.088 407 HB2 LEU 51 HB2 LEU 51 43.251 23.381 28.380 408 HB3 LEU 51 HB1 LEU 51 42.313 22.001 27.822 409 HG LEU 51 HG LEU 51 41.673 23.578 30.339 410 HD11 LEU 51 HD11 LEU 51 41.472 24.867 28.151 411 HD12 LEU 51 HD12 LEU 51 39.989 24.733 29.093 412 HD13 LEU 51 HD13 LEU 51 40.232 23.705 27.681 413 HD21 LEU 51 HD21 LEU 51 40.591 21.535 30.645 414 HD22 LEU 51 HD22 LEU 51 40.415 21.241 28.915 415 HD23 LEU 51 HD23 LEU 51 39.360 22.396 29.727 416 H ASP 52 HN ASP 52 45.716 22.428 28.888 417 HA ASP 52 HA ASP 52 46.275 20.573 26.843 418 HB2 ASP 52 HB2 ASP 52 47.452 22.737 27.114 419 HB3 ASP 52 HB1 ASP 52 48.241 22.109 28.560 420 H GLY 53 HN GLY 53 47.154 20.612 30.280 421 HA2 GLY 53 HA2 GLY 53 47.536 18.799 31.687 422 HA3 GLY 53 HA1 GLY 53 47.372 17.721 30.304 423 H ALA 54 HN ALA 54 49.438 20.108 29.368 424 HA ALA 54 HA ALA 54 51.717 18.412 29.343 425 HB1 ALA 54 HB1 ALA 54 52.869 20.246 28.341 426 HB2 ALA 54 HB2 ALA 54 51.732 21.415 29.012 427 HB3 ALA 54 HB3 ALA 54 51.214 20.313 27.737 428 H LEU 55 HN LEU 55 53.526 18.365 30.620 429 HA LEU 55 HA LEU 55 53.352 19.819 33.195 430 HB2 LEU 55 HB2 LEU 55 54.958 17.342 32.499 431 HB3 LEU 55 HB1 LEU 55 54.780 18.061 34.098 432 HG LEU 55 HG LEU 55 52.516 16.931 32.425 433 HD11 LEU 55 HD11 LEU 55 53.970 15.162 33.263 434 HD12 LEU 55 HD12 LEU 55 52.475 15.172 34.199 435 HD13 LEU 55 HD13 LEU 55 53.946 15.868 34.880 436 HD21 LEU 55 HD21 LEU 55 52.651 18.336 35.093 437 HD22 LEU 55 HD22 LEU 55 51.394 17.133 34.802 438 HD23 LEU 55 HD23 LEU 55 51.498 18.560 33.776 439 H ARG 56 HN ARG 56 55.887 19.818 34.116 440 HA ARG 56 HA ARG 56 57.835 21.036 33.991 441 HB2 ARG 56 HB2 ARG 56 57.842 19.983 31.151 442 HB3 ARG 56 HB1 ARG 56 59.238 20.586 32.037 443 HG2 ARG 56 HG2 ARG 56 57.586 18.228 32.981 444 HG3 ARG 56 HG1 ARG 56 59.002 18.051 31.950 445 HD2 ARG 56 HD2 ARG 56 60.349 19.253 33.694 446 HD3 ARG 56 HD1 ARG 56 58.934 19.241 34.741 447 HE ARG 56 HE ARG 56 60.607 16.959 34.068 448 HH11 ARG 56 HH11 ARG 56 60.148 15.070 35.242 449 HH12 ARG 56 HH12 ARG 56 58.691 14.968 36.173 450 HH21 ARG 56 HH21 ARG 56 57.610 18.150 35.322 451 HH22 ARG 56 HH22 ARG 56 57.254 16.711 36.219 452 H TYR 57 HN TYR 57 55.447 22.490 33.494 453 HA TYR 57 HA TYR 57 56.523 24.874 32.406 454 HB2 TYR 57 HB2 TYR 57 56.239 23.777 30.254 455 HB3 TYR 57 HB1 TYR 57 54.568 23.378 30.644 456 HD1 TYR 57 HD1 TYR 57 56.910 26.248 30.180 457 HD2 TYR 57 HD2 TYR 57 52.823 24.926 30.229 458 HE1 TYR 57 HE1 TYR 57 56.186 28.456 29.313 459 HE2 TYR 57 HE2 TYR 57 52.099 27.135 29.360 460 HH TYR 57 HH TYR 57 54.467 29.731 28.739 Start of MODEL 11 1 H1 GLY 1 HT1 GLY 1 11.827 37.045 74.366 2 H2 GLY 1 HT2 GLY 1 11.110 38.186 73.331 3 H3 GLY 1 HT3 GLY 1 12.669 38.457 73.948 4 HA2 GLY 1 HA2 GLY 1 13.198 37.729 71.865 5 HA3 GLY 1 HA1 GLY 1 13.203 36.212 72.766 6 H SER 2 HN SER 2 10.852 38.362 71.145 7 HA SER 2 HA SER 2 8.931 36.350 70.653 8 HB2 SER 2 HB2 SER 2 7.926 37.951 69.111 9 HB3 SER 2 HB1 SER 2 8.443 38.777 70.578 10 HG SER 2 HG SER 2 9.985 38.579 68.200 11 H ALA 3 HN ALA 3 11.887 37.190 69.064 12 HA ALA 3 HA ALA 3 11.381 36.189 66.481 13 HB1 ALA 3 HB1 ALA 3 13.945 36.344 68.078 14 HB2 ALA 3 HB2 ALA 3 13.354 37.512 66.897 15 HB3 ALA 3 HB3 ALA 3 13.872 35.911 66.370 16 H GLY 4 HN GLY 4 12.494 34.606 69.446 17 HA2 GLY 4 HA2 GLY 4 12.238 32.376 70.063 18 HA3 GLY 4 HA1 GLY 4 11.569 32.037 68.470 19 H LEU 5 HN LEU 5 14.360 33.757 67.993 20 HA LEU 5 HA LEU 5 16.411 33.178 67.133 21 HB2 LEU 5 HB2 LEU 5 16.067 31.418 69.543 22 HB3 LEU 5 HB1 LEU 5 17.455 31.134 68.495 23 HG LEU 5 HG LEU 5 18.090 33.526 68.720 24 HD11 LEU 5 HD11 LEU 5 15.673 33.537 70.541 25 HD12 LEU 5 HD12 LEU 5 15.993 34.585 69.158 26 HD13 LEU 5 HD13 LEU 5 16.936 34.763 70.638 27 HD21 LEU 5 HD21 LEU 5 17.734 31.895 71.248 28 HD22 LEU 5 HD22 LEU 5 18.680 33.383 71.194 29 HD23 LEU 5 HD23 LEU 5 19.166 31.991 70.224 30 H GLN 6 HN GLN 6 14.297 32.261 65.652 31 HA GLN 6 HA GLN 6 14.336 29.488 65.086 32 HB2 GLN 6 HB2 GLN 6 13.473 31.876 63.449 33 HB3 GLN 6 HB1 GLN 6 13.300 30.214 62.893 34 HG2 GLN 6 HG2 GLN 6 11.866 29.661 64.751 35 HG3 GLN 6 HG1 GLN 6 12.168 31.215 65.518 36 HE21 GLN 6 HE21 GLN 6 9.543 30.103 64.604 37 HE22 GLN 6 HE22 GLN 6 8.937 31.229 63.488 38 H GLU 7 HN GLU 7 16.141 32.230 63.771 39 HA GLU 7 HA GLU 7 17.978 32.338 62.398 40 HB2 GLU 7 HB2 GLU 7 18.416 29.595 63.597 41 HB3 GLU 7 HB1 GLU 7 19.616 30.467 62.645 42 HG2 GLU 7 HG2 GLU 7 19.574 32.321 64.253 43 HG3 GLU 7 HG1 GLU 7 18.339 31.488 65.199 44 H LYS 8 HN LYS 8 15.769 31.835 60.955 45 HA LYS 8 HA LYS 8 15.775 29.470 59.404 46 HB2 LYS 8 HB2 LYS 8 14.703 32.244 58.857 47 HB3 LYS 8 HB1 LYS 8 14.495 30.897 57.738 48 HG2 LYS 8 HG2 LYS 8 13.260 29.627 59.360 49 HG3 LYS 8 HG1 LYS 8 13.673 30.749 60.651 50 HD2 LYS 8 HD2 LYS 8 11.420 31.254 60.011 51 HD3 LYS 8 HD1 LYS 8 12.426 32.538 59.345 52 HE2 LYS 8 HE2 LYS 8 12.376 31.513 57.145 53 HE3 LYS 8 HE1 LYS 8 11.546 30.094 57.784 54 HZ1 LYS 8 HZ1 LYS 8 10.385 32.782 58.101 55 HZ2 LYS 8 HZ2 LYS 8 9.605 31.273 58.103 56 HZ3 LYS 8 HZ3 LYS 8 10.183 31.931 56.648 57 H GLU 9 HN GLU 9 17.353 32.600 58.986 58 HA GLU 9 HA GLU 9 18.820 33.367 57.368 59 HB2 GLU 9 HB2 GLU 9 19.931 30.679 58.200 60 HB3 GLU 9 HB1 GLU 9 20.834 31.824 57.212 61 HG2 GLU 9 HG2 GLU 9 20.696 33.516 58.951 62 HG3 GLU 9 HG1 GLU 9 19.663 32.475 59.928 63 H ARG 10 HN ARG 10 20.421 31.951 55.510 64 HA ARG 10 HA ARG 10 18.571 31.644 53.353 65 HB2 ARG 10 HB2 ARG 10 20.525 31.265 51.986 66 HB3 ARG 10 HB1 ARG 10 20.881 32.569 53.117 67 HG2 ARG 10 HG2 ARG 10 21.912 30.828 54.645 68 HG3 ARG 10 HG1 ARG 10 21.754 29.676 53.318 69 HD2 ARG 10 HD2 ARG 10 23.251 32.306 53.162 70 HD3 ARG 10 HD1 ARG 10 24.005 30.729 53.379 71 HE ARG 10 HE ARG 10 22.823 31.774 50.923 72 HH11 ARG 10 HH11 ARG 10 23.211 30.513 49.076 73 HH12 ARG 10 HH12 ARG 10 23.856 28.915 49.246 74 HH21 ARG 10 HH21 ARG 10 24.009 29.053 52.707 75 HH22 ARG 10 HH22 ARG 10 24.308 28.089 51.299 76 H GLU 11 HN GLU 11 19.273 29.584 55.806 77 HA GLU 11 HA GLU 11 19.758 27.116 54.540 78 HB2 GLU 11 HB2 GLU 11 18.410 27.791 57.156 79 HB3 GLU 11 HB1 GLU 11 18.686 26.133 56.627 80 HG2 GLU 11 HG2 GLU 11 21.077 26.480 56.555 81 HG3 GLU 11 HG1 GLU 11 20.889 28.205 56.856 82 H LEU 12 HN LEU 12 16.739 28.827 55.248 83 HA LEU 12 HA LEU 12 14.959 26.761 54.556 84 HB2 LEU 12 HB2 LEU 12 14.226 28.800 55.706 85 HB3 LEU 12 HB1 LEU 12 14.618 29.761 54.282 86 HG LEU 12 HG LEU 12 12.930 28.507 52.969 87 HD11 LEU 12 HD11 LEU 12 11.294 27.119 54.493 88 HD12 LEU 12 HD12 LEU 12 12.692 26.979 55.558 89 HD13 LEU 12 HD13 LEU 12 12.772 26.364 53.906 90 HD21 LEU 12 HD21 LEU 12 11.026 29.583 53.901 91 HD22 LEU 12 HD22 LEU 12 12.395 30.576 54.403 92 HD23 LEU 12 HD23 LEU 12 11.655 29.449 55.542 93 H GLU 13 HN GLU 13 16.455 29.319 52.599 94 HA GLU 13 HA GLU 13 15.153 28.731 50.170 95 HB2 GLU 13 HB2 GLU 13 16.429 30.809 50.579 96 HB3 GLU 13 HB1 GLU 13 17.925 29.876 50.592 97 HG2 GLU 13 HG2 GLU 13 17.538 29.167 48.278 98 HG3 GLU 13 HG1 GLU 13 15.996 30.022 48.256 99 H ASP 14 HN ASP 14 18.175 27.510 51.577 100 HA ASP 14 HA ASP 14 19.026 25.988 49.365 101 HB2 ASP 14 HB2 ASP 14 19.503 25.681 52.331 102 HB3 ASP 14 HB1 ASP 14 20.273 24.651 51.126 103 H LEU 15 HN LEU 15 16.882 25.200 52.073 104 HA LEU 15 HA LEU 15 16.588 22.446 51.506 105 HB2 LEU 15 HB2 LEU 15 14.759 24.416 52.888 106 HB3 LEU 15 HB1 LEU 15 14.435 22.688 52.808 107 HG LEU 15 HG LEU 15 16.985 23.879 53.940 108 HD11 LEU 15 HD11 LEU 15 14.396 23.055 55.265 109 HD12 LEU 15 HD12 LEU 15 15.248 24.592 55.401 110 HD13 LEU 15 HD13 LEU 15 15.917 23.146 56.153 111 HD21 LEU 15 HD21 LEU 15 15.877 21.090 53.661 112 HD22 LEU 15 HD22 LEU 15 16.866 21.468 55.070 113 HD23 LEU 15 HD23 LEU 15 17.531 21.662 53.453 114 H LYS 16 HN LYS 16 14.854 25.311 50.382 115 HA LYS 16 HA LYS 16 12.762 24.010 49.022 116 HB2 LYS 16 HB2 LYS 16 12.764 26.426 49.475 117 HB3 LYS 16 HB1 LYS 16 14.116 26.632 48.364 118 HG2 LYS 16 HG2 LYS 16 12.789 25.925 46.486 119 HG3 LYS 16 HG1 LYS 16 11.477 25.402 47.538 120 HD2 LYS 16 HD2 LYS 16 10.812 27.518 46.635 121 HD3 LYS 16 HD1 LYS 16 11.283 27.819 48.306 122 HE2 LYS 16 HE2 LYS 16 13.438 28.681 47.609 123 HE3 LYS 16 HE1 LYS 16 13.138 28.204 45.939 124 HZ1 LYS 16 HZ1 LYS 16 11.740 30.289 47.512 125 HZ2 LYS 16 HZ2 LYS 16 11.162 29.711 46.022 126 HZ3 LYS 16 HZ3 LYS 16 12.666 30.496 46.106 127 H ASP 17 HN ASP 17 15.985 25.016 47.928 128 HA ASP 17 HA ASP 17 15.724 24.292 45.225 129 HB2 ASP 17 HB2 ASP 17 17.580 25.659 46.141 130 HB3 ASP 17 HB1 ASP 17 18.225 24.220 46.928 131 H ALA 18 HN ALA 18 16.671 22.422 48.062 132 HA ALA 18 HA ALA 18 17.564 20.097 46.772 133 HB1 ALA 18 HB1 ALA 18 16.090 20.115 49.402 134 HB2 ALA 18 HB2 ALA 18 17.743 20.708 49.245 135 HB3 ALA 18 HB3 ALA 18 17.371 19.024 48.876 136 H GLU 19 HN GLU 19 14.295 21.121 47.681 137 HA GLU 19 HA GLU 19 12.968 18.691 47.238 138 HB2 GLU 19 HB2 GLU 19 11.925 20.644 48.324 139 HB3 GLU 19 HB1 GLU 19 11.927 21.498 46.781 140 HG2 GLU 19 HG2 GLU 19 10.467 19.791 45.802 141 HG3 GLU 19 HG1 GLU 19 10.514 18.866 47.300 142 H LEU 20 HN LEU 20 13.691 21.352 44.973 143 HA LEU 20 HA LEU 20 12.379 20.206 42.741 144 HB2 LEU 20 HB2 LEU 20 14.581 22.241 43.022 145 HB3 LEU 20 HB1 LEU 20 14.042 21.704 41.436 146 HG LEU 20 HG LEU 20 12.922 23.814 42.340 147 HD11 LEU 20 HD11 LEU 20 11.947 22.098 40.603 148 HD12 LEU 20 HD12 LEU 20 10.898 23.335 41.283 149 HD13 LEU 20 HD13 LEU 20 10.830 21.690 41.904 150 HD21 LEU 20 HD21 LEU 20 12.738 22.855 44.684 151 HD22 LEU 20 HD22 LEU 20 11.411 21.861 44.091 152 HD23 LEU 20 HD23 LEU 20 11.276 23.619 44.069 153 H LYS 21 HN LYS 21 15.672 19.920 43.986 154 HA LYS 21 HA LYS 21 16.780 18.480 41.831 155 HB2 LYS 21 HB2 LYS 21 17.442 18.552 44.780 156 HB3 LYS 21 HB1 LYS 21 18.396 17.644 43.610 157 HG2 LYS 21 HG2 LYS 21 17.791 20.542 43.056 158 HG3 LYS 21 HG1 LYS 21 19.047 20.149 44.224 159 HD2 LYS 21 HD2 LYS 21 19.068 18.792 41.531 160 HD3 LYS 21 HD1 LYS 21 19.670 20.441 41.673 161 HE2 LYS 21 HE2 LYS 21 20.638 18.139 43.399 162 HE3 LYS 21 HE1 LYS 21 21.457 18.695 41.942 163 HZ1 LYS 21 HZ1 LYS 21 20.860 20.885 43.626 164 HZ2 LYS 21 HZ2 LYS 21 22.371 20.347 43.066 165 HZ3 LYS 21 HZ3 LYS 21 21.717 19.708 44.498 166 H ARG 22 HN ARG 22 15.041 17.436 44.726 167 HA ARG 22 HA ARG 22 15.416 14.661 44.438 168 HB2 ARG 22 HB2 ARG 22 14.551 15.707 46.494 169 HB3 ARG 22 HB1 ARG 22 13.066 16.138 45.646 170 HG2 ARG 22 HG2 ARG 22 12.537 13.792 45.273 171 HG3 ARG 22 HG1 ARG 22 14.084 13.300 45.965 172 HD2 ARG 22 HD2 ARG 22 12.320 13.041 47.636 173 HD3 ARG 22 HD1 ARG 22 13.415 14.331 48.125 174 HE ARG 22 HE ARG 22 11.229 15.381 46.624 175 HH11 ARG 22 HH11 ARG 22 9.625 16.509 47.772 176 HH12 ARG 22 HH12 ARG 22 9.490 16.306 49.486 177 HH21 ARG 22 HH21 ARG 22 12.129 14.066 49.696 178 HH22 ARG 22 HH22 ARG 22 10.907 14.924 50.576 179 H LEU 23 HN LEU 23 12.883 16.823 43.215 180 HA LEU 23 HA LEU 23 11.250 14.839 42.051 181 HB2 LEU 23 HB2 LEU 23 11.623 17.766 41.405 182 HB3 LEU 23 HB1 LEU 23 10.389 16.758 40.655 183 HG LEU 23 HG LEU 23 10.680 17.125 43.652 184 HD11 LEU 23 HD11 LEU 23 10.105 19.266 42.718 185 HD12 LEU 23 HD12 LEU 23 8.624 18.573 43.378 186 HD13 LEU 23 HD13 LEU 23 8.915 18.538 41.639 187 HD21 LEU 23 HD21 LEU 23 8.141 16.366 43.359 188 HD22 LEU 23 HD22 LEU 23 9.427 15.169 43.413 189 HD23 LEU 23 HD23 LEU 23 8.750 15.658 41.862 190 H ASN 24 HN ASN 24 13.992 16.678 40.771 191 HA ASN 24 HA ASN 24 13.750 15.909 38.076 192 HB2 ASN 24 HB2 ASN 24 16.152 16.678 39.734 193 HB3 ASN 24 HB1 ASN 24 16.229 16.402 37.994 194 HD21 ASN 24 HD21 ASN 24 14.213 17.663 36.838 195 HD22 ASN 24 HD22 ASN 24 14.074 19.286 37.315 196 H GLU 25 HN GLU 25 15.391 14.347 40.801 197 HA GLU 25 HA GLU 25 16.312 12.255 41.035 198 HB2 GLU 25 HB2 GLU 25 14.310 11.617 38.853 199 HB3 GLU 25 HB1 GLU 25 15.141 10.427 39.852 200 HG2 GLU 25 HG2 GLU 25 14.141 11.446 41.876 201 HG3 GLU 25 HG1 GLU 25 13.288 12.603 40.858 202 H GLU 26 HN GLU 26 15.917 10.751 38.154 203 HA GLU 26 HA GLU 26 18.674 10.725 37.510 204 HB2 GLU 26 HB2 GLU 26 16.228 9.821 35.987 205 HB3 GLU 26 HB1 GLU 26 17.876 9.562 35.414 206 HG2 GLU 26 HG2 GLU 26 18.423 8.276 37.398 207 HG3 GLU 26 HG1 GLU 26 16.855 8.644 38.116 208 H ARG 27 HN ARG 27 16.037 12.761 36.500 209 HA ARG 27 HA ARG 27 17.015 13.697 34.049 210 HB2 ARG 27 HB2 ARG 27 14.747 14.175 34.882 211 HB3 ARG 27 HB1 ARG 27 15.429 15.222 36.127 212 HG2 ARG 27 HG2 ARG 27 16.338 16.723 34.451 213 HG3 ARG 27 HG1 ARG 27 15.851 15.630 33.154 214 HD2 ARG 27 HD2 ARG 27 13.917 16.932 35.088 215 HD3 ARG 27 HD1 ARG 27 14.282 17.565 33.486 216 HE ARG 27 HE ARG 27 13.532 14.886 33.172 217 HH11 ARG 27 HH11 ARG 27 11.403 14.377 32.564 218 HH12 ARG 27 HH12 ARG 27 10.131 15.518 32.843 219 HH21 ARG 27 HH21 ARG 27 12.216 17.893 34.270 220 HH22 ARG 27 HH22 ARG 27 10.592 17.508 33.810 221 H HIS 28 HN HIS 28 17.642 14.864 37.355 222 HA HIS 28 HA HIS 28 19.181 17.109 36.649 223 HB2 HIS 28 HB2 HIS 28 18.353 16.740 38.931 224 HB3 HIS 28 HB1 HIS 28 19.430 15.353 39.104 225 HD2 HIS 28 HD2 HIS 28 19.665 19.280 38.977 226 HE1 HIS 28 HE1 HIS 28 23.474 17.761 39.981 227 HE2 HIS 28 HE2 HIS 28 22.091 19.877 39.735 228 H ASP 29 HN ASP 29 20.160 13.754 37.328 229 HA ASP 29 HA ASP 29 22.935 14.132 37.038 230 HB2 ASP 29 HB2 ASP 29 21.904 12.101 38.011 231 HB3 ASP 29 HB1 ASP 29 21.314 11.653 36.411 232 H HIS 30 HN HIS 30 20.429 13.272 34.676 233 HA HIS 30 HA HIS 30 22.116 12.850 32.467 234 HB2 HIS 30 HB2 HIS 30 19.771 12.183 32.435 235 HB3 HIS 30 HB1 HIS 30 19.265 13.869 32.548 236 HD2 HIS 30 HD2 HIS 30 18.982 15.093 30.081 237 HE1 HIS 30 HE1 HIS 30 21.163 12.299 27.787 238 HE2 HIS 30 HE2 HIS 30 19.741 14.400 27.682 239 H ASP 31 HN ASP 31 20.465 15.796 33.593 240 HA ASP 31 HA ASP 31 21.321 17.493 31.515 241 HB2 ASP 31 HB2 ASP 31 20.537 18.042 34.379 242 HB3 ASP 31 HB1 ASP 31 20.914 19.322 33.227 243 H LYS 32 HN LYS 32 22.804 16.620 34.605 244 HA LYS 32 HA LYS 32 24.922 18.470 34.571 245 HB2 LYS 32 HB2 LYS 32 24.314 17.130 36.553 246 HB3 LYS 32 HB1 LYS 32 24.874 15.672 35.734 247 HG2 LYS 32 HG2 LYS 32 27.149 16.606 35.595 248 HG3 LYS 32 HG1 LYS 32 26.594 18.089 36.374 249 HD2 LYS 32 HD2 LYS 32 25.964 16.803 38.381 250 HD3 LYS 32 HD1 LYS 32 26.511 15.316 37.602 251 HE2 LYS 32 HE2 LYS 32 28.793 16.234 37.437 252 HE3 LYS 32 HE1 LYS 32 28.251 17.726 38.205 253 HZ1 LYS 32 HZ1 LYS 32 27.453 15.517 39.761 254 HZ2 LYS 32 HZ2 LYS 32 28.491 16.795 40.181 255 HZ3 LYS 32 HZ3 LYS 32 29.114 15.397 39.445 256 H ARG 33 HN ARG 33 24.667 15.181 33.259 257 HA ARG 33 HA ARG 33 27.332 14.984 32.336 258 HB2 ARG 33 HB2 ARG 33 24.784 13.628 31.440 259 HB3 ARG 33 HB1 ARG 33 26.363 13.233 30.767 260 HG2 ARG 33 HG2 ARG 33 25.960 13.195 33.757 261 HG3 ARG 33 HG1 ARG 33 25.433 11.825 32.784 262 HD2 ARG 33 HD2 ARG 33 27.722 11.627 31.851 263 HD3 ARG 33 HD1 ARG 33 28.246 12.962 32.868 264 HE ARG 33 HE ARG 33 27.060 11.025 34.521 265 HH11 ARG 33 HH11 ARG 33 28.392 9.595 35.679 266 HH12 ARG 33 HH12 ARG 33 30.021 9.322 35.157 267 HH21 ARG 33 HH21 ARG 33 29.793 11.476 32.448 268 HH22 ARG 33 HH22 ARG 33 30.814 10.387 33.326 269 H GLU 34 HN GLU 34 24.379 16.216 30.847 270 HA GLU 34 HA GLU 34 25.385 16.595 28.241 271 HB2 GLU 34 HB2 GLU 34 22.982 16.704 28.816 272 HB3 GLU 34 HB1 GLU 34 23.269 18.202 29.698 273 HG2 GLU 34 HG2 GLU 34 24.038 19.296 27.643 274 HG3 GLU 34 HG1 GLU 34 23.839 17.791 26.747 275 H ALA 35 HN ALA 35 25.360 18.711 31.089 276 HA ALA 35 HA ALA 35 26.418 21.011 29.857 277 HB1 ALA 35 HB1 ALA 35 26.983 21.745 32.108 278 HB2 ALA 35 HB2 ALA 35 26.808 20.099 32.717 279 HB3 ALA 35 HB3 ALA 35 25.398 20.974 32.121 280 H GLU 36 HN GLU 36 27.985 18.210 31.346 281 HA GLU 36 HA GLU 36 30.635 19.166 31.275 282 HB2 GLU 36 HB2 GLU 36 29.929 17.167 32.547 283 HB3 GLU 36 HB1 GLU 36 29.655 16.311 31.032 284 HG2 GLU 36 HG2 GLU 36 32.021 16.553 30.434 285 HG3 GLU 36 HG1 GLU 36 32.312 17.483 31.903 286 H ARG 37 HN ARG 37 28.711 17.371 28.895 287 HA ARG 37 HA ARG 37 30.767 16.967 27.005 288 HB2 ARG 37 HB2 ARG 37 27.767 17.178 26.700 289 HB3 ARG 37 HB1 ARG 37 28.848 16.749 25.375 290 HG2 ARG 37 HG2 ARG 37 29.693 14.833 26.671 291 HG3 ARG 37 HG1 ARG 37 28.629 15.265 28.011 292 HD2 ARG 37 HD2 ARG 37 26.664 14.958 26.547 293 HD3 ARG 37 HD1 ARG 37 27.728 14.515 25.215 294 HE ARG 37 HE ARG 37 27.015 12.858 27.493 295 HH11 ARG 37 HH11 ARG 37 27.783 10.722 27.404 296 HH12 ARG 37 HH12 ARG 37 28.995 10.291 26.243 297 HH21 ARG 37 HH21 ARG 37 29.217 13.479 24.897 298 HH22 ARG 37 HH22 ARG 37 29.806 11.851 24.823 299 H LYS 38 HN LYS 38 28.488 19.628 27.497 300 HA LYS 38 HA LYS 38 29.060 21.079 25.153 301 HB2 LYS 38 HB2 LYS 38 27.141 21.533 26.651 302 HB3 LYS 38 HB1 LYS 38 28.252 22.158 27.867 303 HG2 LYS 38 HG2 LYS 38 29.043 23.866 26.221 304 HG3 LYS 38 HG1 LYS 38 27.843 23.276 25.074 305 HD2 LYS 38 HD2 LYS 38 27.090 24.239 27.841 306 HD3 LYS 38 HD1 LYS 38 27.192 25.333 26.464 307 HE2 LYS 38 HE2 LYS 38 25.569 23.816 25.251 308 HE3 LYS 38 HE1 LYS 38 25.356 22.939 26.765 309 HZ1 LYS 38 HZ1 LYS 38 24.821 25.820 26.322 310 HZ2 LYS 38 HZ2 LYS 38 24.703 25.029 27.820 311 HZ3 LYS 38 HZ3 LYS 38 23.662 24.605 26.546 312 H ALA 39 HN ALA 39 30.528 21.161 28.385 313 HA ALA 39 HA ALA 39 32.302 23.300 27.933 314 HB1 ALA 39 HB1 ALA 39 31.731 22.204 30.154 315 HB2 ALA 39 HB2 ALA 39 33.435 22.582 29.903 316 HB3 ALA 39 HB3 ALA 39 32.863 20.926 29.712 317 H LEU 40 HN LEU 40 32.615 19.822 27.359 318 HA LEU 40 HA LEU 40 35.345 19.786 26.678 319 HB2 LEU 40 HB2 LEU 40 34.065 17.743 27.136 320 HB3 LEU 40 HB1 LEU 40 33.093 18.014 25.694 321 HG LEU 40 HG LEU 40 35.119 17.811 24.285 322 HD11 LEU 40 HD11 LEU 40 37.154 16.769 25.590 323 HD12 LEU 40 HD12 LEU 40 36.440 17.575 26.985 324 HD13 LEU 40 HD13 LEU 40 36.941 18.517 25.581 325 HD21 LEU 40 HD21 LEU 40 35.464 15.399 24.623 326 HD22 LEU 40 HD22 LEU 40 33.761 15.809 24.826 327 HD23 LEU 40 HD23 LEU 40 34.772 15.516 26.241 328 H GLU 41 HN GLU 41 32.439 20.234 24.682 329 HA GLU 41 HA GLU 41 33.751 20.380 22.187 330 HB2 GLU 41 HB2 GLU 41 31.131 21.532 23.159 331 HB3 GLU 41 HB1 GLU 41 31.669 21.635 21.483 332 HG2 GLU 41 HG2 GLU 41 31.756 19.219 21.299 333 HG3 GLU 41 HG1 GLU 41 31.413 19.035 23.019 334 H ASP 42 HN ASP 42 32.962 22.845 24.601 335 HA ASP 42 HA ASP 42 33.680 25.114 23.098 336 HB2 ASP 42 HB2 ASP 42 32.439 25.201 25.239 337 HB3 ASP 42 HB1 ASP 42 33.903 24.710 26.088 338 H LYS 43 HN LYS 43 35.590 23.021 25.235 339 HA LYS 43 HA LYS 43 37.991 24.490 25.148 340 HB2 LYS 43 HB2 LYS 43 37.531 22.651 26.741 341 HB3 LYS 43 HB1 LYS 43 37.643 21.492 25.421 342 HG2 LYS 43 HG2 LYS 43 39.972 22.221 24.980 343 HG3 LYS 43 HG1 LYS 43 39.865 23.356 26.324 344 HD2 LYS 43 HD2 LYS 43 39.328 20.414 26.730 345 HD3 LYS 43 HD1 LYS 43 40.972 21.043 26.750 346 HE2 LYS 43 HE2 LYS 43 38.708 21.970 28.552 347 HE3 LYS 43 HE1 LYS 43 40.054 20.944 29.030 348 HZ1 LYS 43 HZ1 LYS 43 41.220 23.103 27.822 349 HZ2 LYS 43 HZ2 LYS 43 41.138 22.801 29.493 350 HZ3 LYS 43 HZ3 LYS 43 39.965 23.775 28.745 351 H LEU 44 HN LEU 44 36.759 21.883 23.076 352 HA LEU 44 HA LEU 44 39.048 21.616 21.445 353 HB2 LEU 44 HB2 LEU 44 36.124 21.071 20.901 354 HB3 LEU 44 HB1 LEU 44 37.415 20.640 19.783 355 HG LEU 44 HG LEU 44 37.303 19.718 22.671 356 HD11 LEU 44 HD11 LEU 44 36.353 18.408 20.114 357 HD12 LEU 44 HD12 LEU 44 35.424 18.724 21.580 358 HD13 LEU 44 HD13 LEU 44 36.687 17.493 21.586 359 HD21 LEU 44 HD21 LEU 44 39.537 19.448 22.046 360 HD22 LEU 44 HD22 LEU 44 39.149 19.214 20.343 361 HD23 LEU 44 HD23 LEU 44 38.874 17.912 21.499 362 H ALA 45 HN ALA 45 36.205 23.708 21.220 363 HA ALA 45 HA ALA 45 36.708 24.774 18.662 364 HB1 ALA 45 HB1 ALA 45 35.213 26.582 19.315 365 HB2 ALA 45 HB2 ALA 45 35.387 26.145 21.014 366 HB3 ALA 45 HB3 ALA 45 34.574 25.047 19.901 367 H ASP 46 HN ASP 46 37.813 25.756 21.878 368 HA ASP 46 HA ASP 46 39.063 28.171 21.132 369 HB2 ASP 46 HB2 ASP 46 39.599 26.240 23.391 370 HB3 ASP 46 HB1 ASP 46 40.431 27.785 23.227 371 H LYS 47 HN LYS 47 40.222 24.834 21.194 372 HA LYS 47 HA LYS 47 42.943 25.345 20.687 373 HB2 LYS 47 HB2 LYS 47 41.183 22.972 20.039 374 HB3 LYS 47 HB1 LYS 47 42.924 22.976 19.780 375 HG2 LYS 47 HG2 LYS 47 41.808 23.726 22.480 376 HG3 LYS 47 HG1 LYS 47 41.965 22.028 22.034 377 HD2 LYS 47 HD2 LYS 47 44.382 22.422 21.530 378 HD3 LYS 47 HD1 LYS 47 44.205 24.075 22.113 379 HE2 LYS 47 HE2 LYS 47 45.078 22.660 23.907 380 HE3 LYS 47 HE1 LYS 47 43.449 23.201 24.310 381 HZ1 LYS 47 HZ1 LYS 47 43.932 20.770 24.654 382 HZ2 LYS 47 HZ2 LYS 47 43.978 20.619 22.961 383 HZ3 LYS 47 HZ3 LYS 47 42.552 21.125 23.735 384 H GLN 48 HN GLN 48 40.189 24.919 18.519 385 HA GLN 48 HA GLN 48 39.916 25.308 16.274 386 HB2 GLN 48 HB2 GLN 48 42.272 27.157 16.728 387 HB3 GLN 48 HB1 GLN 48 41.228 27.166 15.310 388 HG2 GLN 48 HG2 GLN 48 39.278 27.646 16.749 389 HG3 GLN 48 HG1 GLN 48 40.332 27.651 18.164 390 HE21 GLN 48 HE21 GLN 48 38.825 29.752 16.108 391 HE22 GLN 48 HE22 GLN 48 39.917 31.049 16.173 392 H GLU 49 HN GLU 49 42.222 23.449 17.411 393 HA GLU 49 HA GLU 49 44.142 23.258 15.334 394 HB2 GLU 49 HB2 GLU 49 43.204 21.287 17.420 395 HB3 GLU 49 HB1 GLU 49 44.508 20.936 16.284 396 HG2 GLU 49 HG2 GLU 49 45.818 22.787 17.102 397 HG3 GLU 49 HG1 GLU 49 44.480 23.366 18.090 398 H HIS 50 HN HIS 50 41.019 21.678 15.865 399 HA HIS 50 HA HIS 50 41.201 19.805 13.763 400 HB2 HIS 50 HB2 HIS 50 38.817 19.543 14.008 401 HB3 HIS 50 HB1 HIS 50 39.511 19.767 15.613 402 HD2 HIS 50 HD2 HIS 50 36.944 21.484 13.282 403 HE1 HIS 50 HE1 HIS 50 37.555 24.079 16.557 404 HE2 HIS 50 HE2 HIS 50 36.114 23.631 14.513 405 H LEU 51 HN LEU 51 40.426 23.211 13.787 406 HA LEU 51 HA LEU 51 39.138 23.338 11.260 407 HB2 LEU 51 HB2 LEU 51 40.660 25.408 12.850 408 HB3 LEU 51 HB1 LEU 51 39.858 25.772 11.326 409 HG LEU 51 HG LEU 51 38.448 24.556 13.726 410 HD11 LEU 51 HD11 LEU 51 38.801 27.426 12.850 411 HD12 LEU 51 HD12 LEU 51 39.101 26.722 14.439 412 HD13 LEU 51 HD13 LEU 51 37.447 26.921 13.862 413 HD21 LEU 51 HD21 LEU 51 37.059 24.075 11.914 414 HD22 LEU 51 HD22 LEU 51 37.590 25.478 10.988 415 HD23 LEU 51 HD23 LEU 51 36.471 25.679 12.333 416 H ASP 52 HN ASP 52 42.520 23.533 12.249 417 HA ASP 52 HA ASP 52 44.471 23.540 11.039 418 HB2 ASP 52 HB2 ASP 52 43.340 21.298 10.451 419 HB3 ASP 52 HB1 ASP 52 42.934 22.049 8.911 420 H GLY 53 HN GLY 53 44.803 23.507 8.164 421 HA2 GLY 53 HA2 GLY 53 44.627 24.857 6.279 422 HA3 GLY 53 HA1 GLY 53 43.368 25.784 7.090 423 H ALA 54 HN ALA 54 45.866 25.497 9.228 424 HA ALA 54 HA ALA 54 46.569 28.237 9.115 425 HB1 ALA 54 HB1 ALA 54 48.448 27.478 10.682 426 HB2 ALA 54 HB2 ALA 54 47.771 25.858 10.527 427 HB3 ALA 54 HB3 ALA 54 46.798 27.158 11.213 428 H LEU 55 HN LEU 55 48.329 29.285 8.275 429 HA LEU 55 HA LEU 55 49.547 28.234 5.954 430 HB2 LEU 55 HB2 LEU 55 50.252 30.605 7.693 431 HB3 LEU 55 HB1 LEU 55 51.056 30.249 6.168 432 HG LEU 55 HG LEU 55 48.058 30.617 6.453 433 HD11 LEU 55 HD11 LEU 55 48.394 32.857 5.529 434 HD12 LEU 55 HD12 LEU 55 50.135 32.590 5.455 435 HD13 LEU 55 HD13 LEU 55 49.323 32.683 7.017 436 HD21 LEU 55 HD21 LEU 55 49.936 30.125 4.146 437 HD22 LEU 55 HD22 LEU 55 48.507 31.121 3.874 438 HD23 LEU 55 HD23 LEU 55 48.326 29.465 4.439 439 H ARG 56 HN ARG 56 50.670 28.525 9.298 440 HA ARG 56 HA ARG 56 53.344 27.760 8.874 441 HB2 ARG 56 HB2 ARG 56 52.559 28.749 10.981 442 HB3 ARG 56 HB1 ARG 56 51.605 27.303 11.311 443 HG2 ARG 56 HG2 ARG 56 53.585 25.937 11.459 444 HG3 ARG 56 HG1 ARG 56 54.602 27.256 10.877 445 HD2 ARG 56 HD2 ARG 56 54.797 27.058 13.312 446 HD3 ARG 56 HD1 ARG 56 54.019 28.579 12.886 447 HE ARG 56 HE ARG 56 52.078 26.534 13.343 448 HH11 ARG 56 HH11 ARG 56 50.885 26.663 15.276 449 HH12 ARG 56 HH12 ARG 56 51.470 27.637 16.585 450 HH21 ARG 56 HH21 ARG 56 54.312 28.673 14.894 451 HH22 ARG 56 HH22 ARG 56 53.409 28.774 16.368 452 H TYR 57 HN TYR 57 50.458 25.814 9.601 453 HA TYR 57 HA TYR 57 51.970 23.329 9.428 454 HB2 TYR 57 HB2 TYR 57 49.051 23.961 9.893 455 HB3 TYR 57 HB1 TYR 57 49.656 22.313 9.718 456 HD1 TYR 57 HD1 TYR 57 49.633 25.320 11.840 457 HD2 TYR 57 HD2 TYR 57 51.138 21.322 11.394 458 HE1 TYR 57 HE1 TYR 57 50.332 25.317 14.218 459 HE2 TYR 57 HE2 TYR 57 51.839 21.320 13.773 460 HH TYR 57 HH TYR 57 50.729 23.284 16.015 Start of MODEL 12 1 H1 GLY 1 HT1 GLY 1 -14.334 0.741 49.986 2 H2 GLY 1 HT2 GLY 1 -12.991 1.387 49.170 3 H3 GLY 1 HT3 GLY 1 -12.957 -0.216 49.735 4 HA2 GLY 1 HA2 GLY 1 -13.312 -0.209 47.364 5 HA3 GLY 1 HA1 GLY 1 -14.750 -0.800 48.198 6 H SER 2 HN SER 2 -14.285 2.482 48.765 7 HA SER 2 HA SER 2 -16.661 3.276 47.479 8 HB2 SER 2 HB2 SER 2 -15.699 4.527 49.355 9 HB3 SER 2 HB1 SER 2 -14.307 4.962 48.366 10 HG SER 2 HG SER 2 -16.747 5.502 47.217 11 H ALA 3 HN ALA 3 -13.259 3.591 46.511 12 HA ALA 3 HA ALA 3 -13.689 5.074 44.155 13 HB1 ALA 3 HB1 ALA 3 -11.454 4.585 43.610 14 HB2 ALA 3 HB2 ALA 3 -11.493 3.031 44.444 15 HB3 ALA 3 HB3 ALA 3 -11.476 4.531 45.372 16 H GLY 4 HN GLY 4 -13.670 1.592 44.778 17 HA2 GLY 4 HA2 GLY 4 -14.793 -0.080 43.610 18 HA3 GLY 4 HA1 GLY 4 -15.274 1.114 42.409 19 H LEU 5 HN LEU 5 -12.029 1.525 42.859 20 HA LEU 5 HA LEU 5 -11.380 0.336 40.325 21 HB2 LEU 5 HB2 LEU 5 -9.849 1.843 42.431 22 HB3 LEU 5 HB1 LEU 5 -8.981 1.033 41.132 23 HG LEU 5 HG LEU 5 -9.550 3.466 40.695 24 HD11 LEU 5 HD11 LEU 5 -9.812 3.124 38.417 25 HD12 LEU 5 HD12 LEU 5 -10.990 1.833 38.623 26 HD13 LEU 5 HD13 LEU 5 -9.279 1.519 38.906 27 HD21 LEU 5 HD21 LEU 5 -12.366 2.463 40.250 28 HD22 LEU 5 HD22 LEU 5 -11.795 4.131 40.299 29 HD23 LEU 5 HD23 LEU 5 -11.866 3.180 41.782 30 H GLN 6 HN GLN 6 -10.167 -1.463 39.894 31 HA GLN 6 HA GLN 6 -10.300 -3.629 41.698 32 HB2 GLN 6 HB2 GLN 6 -10.187 -3.864 39.227 33 HB3 GLN 6 HB1 GLN 6 -8.506 -3.332 39.278 34 HG2 GLN 6 HG2 GLN 6 -7.912 -5.234 40.696 35 HG3 GLN 6 HG1 GLN 6 -9.597 -5.745 40.750 36 HE21 GLN 6 HE21 GLN 6 -8.008 -7.689 39.784 37 HE22 GLN 6 HE22 GLN 6 -8.078 -7.793 38.092 38 H GLU 7 HN GLU 7 -7.683 -1.409 40.851 39 HA GLU 7 HA GLU 7 -5.614 -2.719 42.264 40 HB2 GLU 7 HB2 GLU 7 -5.999 0.182 41.490 41 HB3 GLU 7 HB1 GLU 7 -4.537 -0.415 42.269 42 HG2 GLU 7 HG2 GLU 7 -5.647 -1.416 39.623 43 HG3 GLU 7 HG1 GLU 7 -4.283 -0.321 39.808 44 H LYS 8 HN LYS 8 -7.985 -0.294 43.249 45 HA LYS 8 HA LYS 8 -8.610 0.491 45.310 46 HB2 LYS 8 HB2 LYS 8 -7.410 -2.129 46.247 47 HB3 LYS 8 HB1 LYS 8 -8.477 -1.089 47.188 48 HG2 LYS 8 HG2 LYS 8 -10.248 -1.361 45.491 49 HG3 LYS 8 HG1 LYS 8 -9.183 -2.417 44.559 50 HD2 LYS 8 HD2 LYS 8 -9.067 -3.985 46.461 51 HD3 LYS 8 HD1 LYS 8 -10.139 -2.937 47.388 52 HE2 LYS 8 HE2 LYS 8 -11.905 -3.229 45.693 53 HE3 LYS 8 HE1 LYS 8 -10.835 -4.273 44.757 54 HZ1 LYS 8 HZ1 LYS 8 -12.044 -4.777 47.402 55 HZ2 LYS 8 HZ2 LYS 8 -10.673 -5.635 46.883 56 HZ3 LYS 8 HZ3 LYS 8 -12.124 -5.731 46.003 57 H GLU 9 HN GLU 9 -6.435 -0.981 47.384 58 HA GLU 9 HA GLU 9 -5.024 1.521 47.808 59 HB2 GLU 9 HB2 GLU 9 -4.809 -1.152 49.219 60 HB3 GLU 9 HB1 GLU 9 -3.979 0.321 49.712 61 HG2 GLU 9 HG2 GLU 9 -5.887 0.386 51.062 62 HG3 GLU 9 HG1 GLU 9 -6.383 1.383 49.698 63 H ARG 10 HN ARG 10 -4.527 -1.205 45.884 64 HA ARG 10 HA ARG 10 -1.731 -1.558 46.084 65 HB2 ARG 10 HB2 ARG 10 -3.569 -1.981 43.714 66 HB3 ARG 10 HB1 ARG 10 -1.916 -2.569 43.819 67 HG2 ARG 10 HG2 ARG 10 -4.047 -3.312 45.839 68 HG3 ARG 10 HG1 ARG 10 -3.735 -4.263 44.392 69 HD2 ARG 10 HD2 ARG 10 -1.349 -4.502 45.133 70 HD3 ARG 10 HD1 ARG 10 -1.770 -3.691 46.634 71 HE ARG 10 HE ARG 10 -2.506 -6.398 45.871 72 HH11 ARG 10 HH11 ARG 10 -3.491 -7.610 47.519 73 HH12 ARG 10 HH12 ARG 10 -4.045 -6.819 48.955 74 HH21 ARG 10 HH21 ARG 10 -3.035 -3.664 47.929 75 HH22 ARG 10 HH22 ARG 10 -3.787 -4.586 49.189 76 H GLU 11 HN GLU 11 -3.699 0.647 44.164 77 HA GLU 11 HA GLU 11 -1.711 1.623 42.454 78 HB2 GLU 11 HB2 GLU 11 -3.149 3.486 42.035 79 HB3 GLU 11 HB1 GLU 11 -4.189 2.093 42.309 80 HG2 GLU 11 HG2 GLU 11 -4.398 2.837 44.723 81 HG3 GLU 11 HG1 GLU 11 -3.547 4.311 44.274 82 H LEU 12 HN LEU 12 -2.145 2.139 45.839 83 HA LEU 12 HA LEU 12 -0.851 4.649 46.101 84 HB2 LEU 12 HB2 LEU 12 -1.088 2.344 48.047 85 HB3 LEU 12 HB1 LEU 12 -0.468 3.935 48.467 86 HG LEU 12 HG LEU 12 -3.221 3.440 47.296 87 HD11 LEU 12 HD11 LEU 12 -2.398 3.981 50.165 88 HD12 LEU 12 HD12 LEU 12 -2.982 2.438 49.543 89 HD13 LEU 12 HD13 LEU 12 -4.054 3.838 49.578 90 HD21 LEU 12 HD21 LEU 12 -2.779 5.684 46.825 91 HD22 LEU 12 HD22 LEU 12 -1.712 5.883 48.214 92 HD23 LEU 12 HD23 LEU 12 -3.458 5.832 48.442 93 H GLU 13 HN GLU 13 0.315 1.388 45.743 94 HA GLU 13 HA GLU 13 2.965 1.745 46.634 95 HB2 GLU 13 HB2 GLU 13 1.779 -0.157 44.610 96 HB3 GLU 13 HB1 GLU 13 3.470 -0.209 45.101 97 HG2 GLU 13 HG2 GLU 13 1.164 -0.364 47.063 98 HG3 GLU 13 HG1 GLU 13 1.964 -1.779 46.386 99 H ASP 14 HN ASP 14 1.438 2.356 43.507 100 HA ASP 14 HA ASP 14 3.763 2.792 41.992 101 HB2 ASP 14 HB2 ASP 14 0.973 3.923 41.762 102 HB3 ASP 14 HB1 ASP 14 2.238 4.247 40.577 103 H LEU 15 HN LEU 15 1.883 4.991 44.050 104 HA LEU 15 HA LEU 15 3.269 7.362 43.375 105 HB2 LEU 15 HB2 LEU 15 1.703 6.533 45.817 106 HB3 LEU 15 HB1 LEU 15 2.465 8.116 45.695 107 HG LEU 15 HG LEU 15 1.229 8.496 43.551 108 HD11 LEU 15 HD11 LEU 15 0.096 5.796 44.284 109 HD12 LEU 15 HD12 LEU 15 0.748 6.328 42.735 110 HD13 LEU 15 HD13 LEU 15 -0.816 6.925 43.283 111 HD21 LEU 15 HD21 LEU 15 -0.858 9.039 44.615 112 HD22 LEU 15 HD22 LEU 15 0.398 9.220 45.840 113 HD23 LEU 15 HD23 LEU 15 -0.631 7.786 45.834 114 H LYS 16 HN LYS 16 3.855 4.858 45.796 115 HA LYS 16 HA LYS 16 5.928 6.122 47.211 116 HB2 LYS 16 HB2 LYS 16 4.795 4.075 47.993 117 HB3 LYS 16 HB1 LYS 16 5.533 3.167 46.674 118 HG2 LYS 16 HG2 LYS 16 7.774 3.674 47.551 119 HG3 LYS 16 HG1 LYS 16 7.060 4.635 48.847 120 HD2 LYS 16 HD2 LYS 16 5.912 2.650 49.717 121 HD3 LYS 16 HD1 LYS 16 6.556 1.679 48.394 122 HE2 LYS 16 HE2 LYS 16 7.918 1.353 50.406 123 HE3 LYS 16 HE1 LYS 16 8.860 2.183 49.169 124 HZ1 LYS 16 HZ1 LYS 16 8.789 4.150 50.297 125 HZ2 LYS 16 HZ2 LYS 16 8.790 3.067 51.606 126 HZ3 LYS 16 HZ3 LYS 16 7.337 3.786 51.095 127 H ASP 17 HN ASP 17 5.994 4.043 44.332 128 HA ASP 17 HA ASP 17 8.791 3.880 44.060 129 HB2 ASP 17 HB2 ASP 17 6.555 3.718 42.037 130 HB3 ASP 17 HB1 ASP 17 8.244 3.445 41.619 131 H ALA 18 HN ALA 18 6.442 6.254 42.891 132 HA ALA 18 HA ALA 18 8.177 7.748 41.249 133 HB1 ALA 18 HB1 ALA 18 5.768 8.060 41.149 134 HB2 ALA 18 HB2 ALA 18 6.535 9.589 41.573 135 HB3 ALA 18 HB3 ALA 18 5.742 8.625 42.819 136 H GLU 19 HN GLU 19 7.449 7.939 44.707 137 HA GLU 19 HA GLU 19 8.861 10.313 45.268 138 HB2 GLU 19 HB2 GLU 19 7.272 9.254 46.839 139 HB3 GLU 19 HB1 GLU 19 8.406 7.923 47.070 140 HG2 GLU 19 HG2 GLU 19 10.087 9.472 47.956 141 HG3 GLU 19 HG1 GLU 19 9.008 10.836 47.665 142 H LEU 20 HN LEU 20 9.875 6.918 45.216 143 HA LEU 20 HA LEU 20 12.483 7.287 46.203 144 HB2 LEU 20 HB2 LEU 20 11.434 5.076 46.016 145 HB3 LEU 20 HB1 LEU 20 11.438 5.209 44.260 146 HG LEU 20 HG LEU 20 13.912 5.317 44.272 147 HD11 LEU 20 HD11 LEU 20 14.561 6.272 46.313 148 HD12 LEU 20 HD12 LEU 20 14.944 4.574 46.576 149 HD13 LEU 20 HD13 LEU 20 13.466 5.258 47.253 150 HD21 LEU 20 HD21 LEU 20 14.281 2.994 44.767 151 HD22 LEU 20 HD22 LEU 20 12.616 3.132 44.199 152 HD23 LEU 20 HD23 LEU 20 12.948 2.966 45.923 153 H LYS 21 HN LYS 21 11.196 7.334 42.894 154 HA LYS 21 HA LYS 21 13.654 7.669 41.556 155 HB2 LYS 21 HB2 LYS 21 10.838 8.483 40.820 156 HB3 LYS 21 HB1 LYS 21 12.211 8.652 39.726 157 HG2 LYS 21 HG2 LYS 21 12.658 6.230 39.909 158 HG3 LYS 21 HG1 LYS 21 11.280 6.060 40.997 159 HD2 LYS 21 HD2 LYS 21 9.761 6.837 39.236 160 HD3 LYS 21 HD1 LYS 21 11.126 7.082 38.147 161 HE2 LYS 21 HE2 LYS 21 10.046 4.938 37.655 162 HE3 LYS 21 HE1 LYS 21 11.662 4.662 38.307 163 HZ1 LYS 21 HZ1 LYS 21 10.723 3.421 39.862 164 HZ2 LYS 21 HZ2 LYS 21 9.159 3.838 39.340 165 HZ3 LYS 21 HZ3 LYS 21 9.966 4.806 40.481 166 H ARG 22 HN ARG 22 11.384 9.999 42.952 167 HA ARG 22 HA ARG 22 12.574 12.353 41.968 168 HB2 ARG 22 HB2 ARG 22 10.352 12.301 43.033 169 HB3 ARG 22 HB1 ARG 22 11.107 11.928 44.583 170 HG2 ARG 22 HG2 ARG 22 12.297 14.047 44.575 171 HG3 ARG 22 HG1 ARG 22 11.711 14.411 42.951 172 HD2 ARG 22 HD2 ARG 22 10.359 15.610 44.597 173 HD3 ARG 22 HD1 ARG 22 9.381 14.375 43.809 174 HE ARG 22 HE ARG 22 10.570 13.349 46.191 175 HH11 ARG 22 HH11 ARG 22 9.213 13.063 47.989 176 HH12 ARG 22 HH12 ARG 22 7.687 13.882 48.055 177 HH21 ARG 22 HH21 ARG 22 8.090 15.442 44.986 178 HH22 ARG 22 HH22 ARG 22 7.052 15.227 46.354 179 H LEU 23 HN LEU 23 13.149 10.501 44.940 180 HA LEU 23 HA LEU 23 15.056 12.237 46.080 181 HB2 LEU 23 HB2 LEU 23 13.945 10.456 47.357 182 HB3 LEU 23 HB1 LEU 23 14.758 9.237 46.380 183 HG LEU 23 HG LEU 23 16.953 10.047 47.190 184 HD11 LEU 23 HD11 LEU 23 16.719 12.326 47.687 185 HD12 LEU 23 HD12 LEU 23 16.734 11.612 49.295 186 HD13 LEU 23 HD13 LEU 23 15.203 12.086 48.557 187 HD21 LEU 23 HD21 LEU 23 16.731 9.226 49.489 188 HD22 LEU 23 HD22 LEU 23 15.725 8.261 48.408 189 HD23 LEU 23 HD23 LEU 23 14.988 9.492 49.435 190 H ASN 24 HN ASN 24 15.386 9.466 43.896 191 HA ASN 24 HA ASN 24 18.198 9.340 43.863 192 HB2 ASN 24 HB2 ASN 24 16.136 8.554 41.796 193 HB3 ASN 24 HB1 ASN 24 17.858 8.206 41.640 194 HD21 ASN 24 HD21 ASN 24 18.747 7.213 43.920 195 HD22 ASN 24 HD22 ASN 24 17.797 5.939 44.514 196 H GLU 25 HN GLU 25 15.906 11.249 41.965 197 HA GLU 25 HA GLU 25 16.186 13.050 40.565 198 HB2 GLU 25 HB2 GLU 25 18.814 13.296 42.053 199 HB3 GLU 25 HB1 GLU 25 18.086 14.539 41.040 200 HG2 GLU 25 HG2 GLU 25 16.098 14.574 42.496 201 HG3 GLU 25 HG1 GLU 25 16.830 13.338 43.518 202 H GLU 26 HN GLU 26 16.767 10.606 39.361 203 HA GLU 26 HA GLU 26 19.296 10.413 38.140 204 HB2 GLU 26 HB2 GLU 26 16.568 9.441 37.274 205 HB3 GLU 26 HB1 GLU 26 18.057 9.043 36.414 206 HG2 GLU 26 HG2 GLU 26 18.978 7.985 38.399 207 HG3 GLU 26 HG1 GLU 26 17.585 8.488 39.351 208 H ARG 27 HN ARG 27 16.359 12.137 37.190 209 HA ARG 27 HA ARG 27 17.123 12.834 34.580 210 HB2 ARG 27 HB2 ARG 27 15.349 14.281 36.561 211 HB3 ARG 27 HB1 ARG 27 15.484 14.716 34.861 212 HG2 ARG 27 HG2 ARG 27 14.776 11.898 35.669 213 HG3 ARG 27 HG1 ARG 27 13.536 13.145 35.589 214 HD2 ARG 27 HD2 ARG 27 14.213 13.605 33.225 215 HD3 ARG 27 HD1 ARG 27 15.340 12.258 33.315 216 HE ARG 27 HE ARG 27 12.802 11.329 34.086 217 HH11 ARG 27 HH11 ARG 27 11.551 10.179 32.579 218 HH12 ARG 27 HH12 ARG 27 11.876 10.345 30.886 219 HH21 ARG 27 HH21 ARG 27 14.490 12.577 31.335 220 HH22 ARG 27 HH22 ARG 27 13.539 11.703 30.182 221 H HIS 28 HN HIS 28 17.761 14.418 37.684 222 HA HIS 28 HA HIS 28 18.900 16.789 36.645 223 HB2 HIS 28 HB2 HIS 28 19.352 15.329 39.251 224 HB3 HIS 28 HB1 HIS 28 20.043 16.907 38.889 225 HD2 HIS 28 HD2 HIS 28 16.727 17.243 37.302 226 HE1 HIS 28 HE1 HIS 28 15.939 18.101 41.359 227 HE2 HIS 28 HE2 HIS 28 15.019 18.250 38.996 228 H ASP 29 HN ASP 29 20.286 13.634 37.436 229 HA ASP 29 HA ASP 29 23.000 14.300 37.083 230 HB2 ASP 29 HB2 ASP 29 21.499 11.698 36.764 231 HB3 ASP 29 HB1 ASP 29 23.251 11.819 36.605 232 H HIS 30 HN HIS 30 20.514 13.239 34.800 233 HA HIS 30 HA HIS 30 22.164 12.840 32.559 234 HB2 HIS 30 HB2 HIS 30 19.843 12.089 32.599 235 HB3 HIS 30 HB1 HIS 30 19.281 13.759 32.689 236 HD2 HIS 30 HD2 HIS 30 18.899 14.919 30.205 237 HE1 HIS 30 HE1 HIS 30 21.123 12.153 27.917 238 HE2 HIS 30 HE2 HIS 30 19.626 14.201 27.801 239 H ASP 31 HN ASP 31 20.436 15.747 33.673 240 HA ASP 31 HA ASP 31 21.178 17.431 31.540 241 HB2 ASP 31 HB2 ASP 31 20.452 18.010 34.414 242 HB3 ASP 31 HB1 ASP 31 20.754 19.280 33.229 243 H LYS 32 HN LYS 32 22.770 16.669 34.605 244 HA LYS 32 HA LYS 32 24.839 18.589 34.422 245 HB2 LYS 32 HB2 LYS 32 24.690 15.926 35.844 246 HB3 LYS 32 HB1 LYS 32 26.076 17.008 35.975 247 HG2 LYS 32 HG2 LYS 32 24.600 18.803 36.812 248 HG3 LYS 32 HG1 LYS 32 23.213 17.722 36.694 249 HD2 LYS 32 HD2 LYS 32 24.289 16.170 38.291 250 HD3 LYS 32 HD1 LYS 32 25.659 17.274 38.427 251 HE2 LYS 32 HE2 LYS 32 22.789 17.980 39.107 252 HE3 LYS 32 HE1 LYS 32 24.037 17.576 40.285 253 HZ1 LYS 32 HZ1 LYS 32 25.341 19.447 39.501 254 HZ2 LYS 32 HZ2 LYS 32 23.806 19.967 40.015 255 HZ3 LYS 32 HZ3 LYS 32 24.149 19.832 38.357 256 H ARG 33 HN ARG 33 24.549 15.282 33.213 257 HA ARG 33 HA ARG 33 27.221 14.989 32.329 258 HB2 ARG 33 HB2 ARG 33 24.649 13.688 31.427 259 HB3 ARG 33 HB1 ARG 33 26.225 13.251 30.769 260 HG2 ARG 33 HG2 ARG 33 27.027 12.644 32.998 261 HG3 ARG 33 HG1 ARG 33 25.500 13.156 33.717 262 HD2 ARG 33 HD2 ARG 33 25.513 10.724 33.427 263 HD3 ARG 33 HD1 ARG 33 24.307 11.456 32.373 264 HE ARG 33 HE ARG 33 25.575 10.795 30.529 265 HH11 ARG 33 HH11 ARG 33 27.287 9.648 29.575 266 HH12 ARG 33 HH12 ARG 33 28.625 9.130 30.548 267 HH21 ARG 33 HH21 ARG 33 27.350 10.470 33.483 268 HH22 ARG 33 HH22 ARG 33 28.660 9.595 32.760 269 H GLU 34 HN GLU 34 24.327 16.298 30.782 270 HA GLU 34 HA GLU 34 25.435 16.628 28.195 271 HB2 GLU 34 HB2 GLU 34 23.174 18.052 29.609 272 HB3 GLU 34 HB1 GLU 34 23.609 18.366 27.930 273 HG2 GLU 34 HG2 GLU 34 22.942 15.604 28.988 274 HG3 GLU 34 HG1 GLU 34 21.761 16.667 28.229 275 H ALA 35 HN ALA 35 25.365 18.708 31.051 276 HA ALA 35 HA ALA 35 26.412 21.038 29.867 277 HB1 ALA 35 HB1 ALA 35 25.390 20.783 32.190 278 HB2 ALA 35 HB2 ALA 35 26.827 21.802 32.079 279 HB3 ALA 35 HB3 ALA 35 26.957 20.156 32.701 280 H GLU 36 HN GLU 36 27.989 18.212 31.302 281 HA GLU 36 HA GLU 36 30.638 19.191 31.225 282 HB2 GLU 36 HB2 GLU 36 29.547 16.371 31.114 283 HB3 GLU 36 HB1 GLU 36 31.262 16.756 31.276 284 HG2 GLU 36 HG2 GLU 36 29.132 17.783 33.169 285 HG3 GLU 36 HG1 GLU 36 30.079 16.326 33.468 286 H ARG 37 HN ARG 37 28.673 17.458 28.848 287 HA ARG 37 HA ARG 37 30.709 16.988 26.951 288 HB2 ARG 37 HB2 ARG 37 27.719 17.314 26.654 289 HB3 ARG 37 HB1 ARG 37 28.780 16.853 25.322 290 HG2 ARG 37 HG2 ARG 37 29.553 14.896 26.598 291 HG3 ARG 37 HG1 ARG 37 28.514 15.358 27.947 292 HD2 ARG 37 HD2 ARG 37 26.531 15.131 26.503 293 HD3 ARG 37 HD1 ARG 37 27.562 14.679 25.151 294 HE ARG 37 HE ARG 37 28.097 12.936 27.299 295 HH11 ARG 37 HH11 ARG 37 27.171 10.863 27.286 296 HH12 ARG 37 HH12 ARG 37 25.771 10.551 26.315 297 HH21 ARG 37 HH21 ARG 37 25.583 13.784 25.078 298 HH22 ARG 37 HH22 ARG 37 24.873 12.205 25.066 299 H LYS 38 HN LYS 38 28.532 19.727 27.465 300 HA LYS 38 HA LYS 38 29.152 21.172 25.132 301 HB2 LYS 38 HB2 LYS 38 27.247 21.712 26.602 302 HB3 LYS 38 HB1 LYS 38 28.367 22.228 27.861 303 HG2 LYS 38 HG2 LYS 38 29.249 23.986 26.379 304 HG3 LYS 38 HG1 LYS 38 28.165 23.455 25.093 305 HD2 LYS 38 HD2 LYS 38 26.218 23.972 26.517 306 HD3 LYS 38 HD1 LYS 38 27.301 24.498 27.808 307 HE2 LYS 38 HE2 LYS 38 28.209 26.257 26.340 308 HE3 LYS 38 HE1 LYS 38 27.139 25.731 25.041 309 HZ1 LYS 38 HZ1 LYS 38 26.084 27.532 26.102 310 HZ2 LYS 38 HZ2 LYS 38 26.380 26.905 27.653 311 HZ3 LYS 38 HZ3 LYS 38 25.262 26.143 26.625 312 H ALA 39 HN ALA 39 30.623 21.209 28.368 313 HA ALA 39 HA ALA 39 32.471 23.282 27.900 314 HB1 ALA 39 HB1 ALA 39 32.640 20.898 29.758 315 HB2 ALA 39 HB2 ALA 39 32.009 22.497 30.150 316 HB3 ALA 39 HB3 ALA 39 33.726 22.285 29.807 317 H LEU 40 HN LEU 40 32.688 19.782 27.383 318 HA LEU 40 HA LEU 40 35.422 19.699 26.668 319 HB2 LEU 40 HB2 LEU 40 33.100 17.908 25.928 320 HB3 LEU 40 HB1 LEU 40 34.773 17.549 25.512 321 HG LEU 40 HG LEU 40 33.798 18.040 28.343 322 HD11 LEU 40 HD11 LEU 40 34.453 15.393 27.019 323 HD12 LEU 40 HD12 LEU 40 32.812 15.996 27.254 324 HD13 LEU 40 HD13 LEU 40 33.829 15.640 28.650 325 HD21 LEU 40 HD21 LEU 40 36.058 16.663 28.686 326 HD22 LEU 40 HD22 LEU 40 36.100 18.405 28.449 327 HD23 LEU 40 HD23 LEU 40 36.448 17.325 27.098 328 H GLU 41 HN GLU 41 32.482 20.234 24.781 329 HA GLU 41 HA GLU 41 33.846 20.264 22.263 330 HB2 GLU 41 HB2 GLU 41 31.086 21.192 23.097 331 HB3 GLU 41 HB1 GLU 41 31.659 21.215 21.429 332 HG2 GLU 41 HG2 GLU 41 32.039 18.800 21.493 333 HG3 GLU 41 HG1 GLU 41 31.559 18.748 23.187 334 H ASP 42 HN ASP 42 33.787 22.337 20.816 335 HA ASP 42 HA ASP 42 34.546 24.475 20.474 336 HB2 ASP 42 HB2 ASP 42 32.233 24.839 21.493 337 HB3 ASP 42 HB1 ASP 42 33.066 25.177 23.009 338 H LYS 43 HN LYS 43 36.307 22.747 21.939 339 HA LYS 43 HA LYS 43 37.371 23.926 24.267 340 HB2 LYS 43 HB2 LYS 43 37.878 21.627 23.489 341 HB3 LYS 43 HB1 LYS 43 38.827 22.299 22.166 342 HG2 LYS 43 HG2 LYS 43 40.274 23.464 23.846 343 HG3 LYS 43 HG1 LYS 43 39.368 22.669 25.130 344 HD2 LYS 43 HD2 LYS 43 40.750 21.119 22.931 345 HD3 LYS 43 HD1 LYS 43 41.569 21.559 24.428 346 HE2 LYS 43 HE2 LYS 43 39.695 20.413 25.684 347 HE3 LYS 43 HE1 LYS 43 39.103 19.820 24.134 348 HZ1 LYS 43 HZ1 LYS 43 41.570 19.066 23.880 349 HZ2 LYS 43 HZ2 LYS 43 40.454 18.116 24.740 350 HZ3 LYS 43 HZ3 LYS 43 41.548 19.112 25.576 351 H LEU 44 HN LEU 44 38.148 24.359 20.835 352 HA LEU 44 HA LEU 44 40.387 25.970 21.012 353 HB2 LEU 44 HB2 LEU 44 39.706 26.903 18.831 354 HB3 LEU 44 HB1 LEU 44 39.527 25.152 18.889 355 HG LEU 44 HG LEU 44 37.030 25.947 19.762 356 HD11 LEU 44 HD11 LEU 44 37.765 28.355 19.216 357 HD12 LEU 44 HD12 LEU 44 36.237 27.814 18.526 358 HD13 LEU 44 HD13 LEU 44 37.685 27.871 17.522 359 HD21 LEU 44 HD21 LEU 44 36.314 25.559 17.348 360 HD22 LEU 44 HD22 LEU 44 37.294 24.279 18.061 361 HD23 LEU 44 HD23 LEU 44 38.029 25.432 16.948 362 H ALA 45 HN ALA 45 37.306 26.616 22.227 363 HA ALA 45 HA ALA 45 37.079 29.401 21.882 364 HB1 ALA 45 HB1 ALA 45 35.617 29.301 23.902 365 HB2 ALA 45 HB2 ALA 45 36.103 27.621 24.125 366 HB3 ALA 45 HB3 ALA 45 35.204 28.094 22.683 367 H ASP 46 HN ASP 46 38.744 27.469 24.333 368 HA ASP 46 HA ASP 46 39.420 29.558 26.091 369 HB2 ASP 46 HB2 ASP 46 40.756 26.917 25.493 370 HB3 ASP 46 HB1 ASP 46 41.308 28.007 26.764 371 H LYS 47 HN LYS 47 41.038 28.318 23.198 372 HA LYS 47 HA LYS 47 42.777 29.139 21.942 373 HB2 LYS 47 HB2 LYS 47 41.900 31.750 23.202 374 HB3 LYS 47 HB1 LYS 47 42.970 31.598 21.809 375 HG2 LYS 47 HG2 LYS 47 41.182 30.421 20.570 376 HG3 LYS 47 HG1 LYS 47 40.110 30.602 21.958 377 HD2 LYS 47 HD2 LYS 47 40.337 33.068 21.790 378 HD3 LYS 47 HD1 LYS 47 41.353 32.861 20.363 379 HE2 LYS 47 HE2 LYS 47 38.496 31.878 20.617 380 HE3 LYS 47 HE1 LYS 47 38.993 33.332 19.752 381 HZ1 LYS 47 HZ1 LYS 47 40.040 30.626 19.142 382 HZ2 LYS 47 HZ2 LYS 47 40.250 32.045 18.231 383 HZ3 LYS 47 HZ3 LYS 47 38.718 31.319 18.337 384 H GLN 48 HN GLN 48 43.662 27.919 24.201 385 HA GLN 48 HA GLN 48 45.280 29.474 25.914 386 HB2 GLN 48 HB2 GLN 48 45.490 26.577 25.056 387 HB3 GLN 48 HB1 GLN 48 46.495 27.297 26.312 388 HG2 GLN 48 HG2 GLN 48 43.464 27.220 26.348 389 HG3 GLN 48 HG1 GLN 48 44.509 26.123 27.244 390 HE21 GLN 48 HE21 GLN 48 42.592 28.609 27.908 391 HE22 GLN 48 HE22 GLN 48 43.504 29.435 29.078 392 H GLU 49 HN GLU 49 45.949 27.899 22.814 393 HA GLU 49 HA GLU 49 48.741 28.540 22.814 394 HB2 GLU 49 HB2 GLU 49 46.839 27.708 20.614 395 HB3 GLU 49 HB1 GLU 49 48.571 27.945 20.370 396 HG2 GLU 49 HG2 GLU 49 49.082 26.234 22.027 397 HG3 GLU 49 HG1 GLU 49 47.371 26.049 22.409 398 H HIS 50 HN HIS 50 49.806 30.245 21.909 399 HA HIS 50 HA HIS 50 48.396 32.705 21.610 400 HB2 HIS 50 HB2 HIS 50 50.558 33.664 21.083 401 HB3 HIS 50 HB1 HIS 50 50.752 32.520 22.412 402 HD2 HIS 50 HD2 HIS 50 52.051 33.043 18.808 403 HE1 HIS 50 HE1 HIS 50 53.350 29.217 20.034 404 HE2 HIS 50 HE2 HIS 50 53.585 31.004 18.246 405 H LEU 51 HN LEU 51 49.138 30.140 19.462 406 HA LEU 51 HA LEU 51 49.324 31.517 17.014 407 HB2 LEU 51 HB2 LEU 51 49.913 29.148 17.247 408 HB3 LEU 51 HB1 LEU 51 48.233 28.750 17.590 409 HG LEU 51 HG LEU 51 47.579 29.556 15.344 410 HD11 LEU 51 HD11 LEU 51 49.643 29.863 13.740 411 HD12 LEU 51 HD12 LEU 51 50.507 30.264 15.224 412 HD13 LEU 51 HD13 LEU 51 49.111 31.220 14.728 413 HD21 LEU 51 HD21 LEU 51 49.796 27.505 15.516 414 HD22 LEU 51 HD22 LEU 51 48.872 27.784 14.040 415 HD23 LEU 51 HD23 LEU 51 48.056 27.218 15.496 416 H ASP 52 HN ASP 52 46.523 30.190 18.753 417 HA ASP 52 HA ASP 52 44.261 30.534 18.502 418 HB2 ASP 52 HB2 ASP 52 45.346 33.190 17.546 419 HB3 ASP 52 HB1 ASP 52 43.632 32.874 17.807 420 H GLY 53 HN GLY 53 45.621 29.186 16.334 421 HA2 GLY 53 HA2 GLY 53 44.560 30.227 13.847 422 HA3 GLY 53 HA1 GLY 53 45.436 28.712 14.066 423 H ALA 54 HN ALA 54 43.399 28.429 12.417 424 HA ALA 54 HA ALA 54 40.835 28.029 13.514 425 HB1 ALA 54 HB1 ALA 54 40.499 26.550 11.494 426 HB2 ALA 54 HB2 ALA 54 42.197 26.815 11.103 427 HB3 ALA 54 HB3 ALA 54 41.075 28.177 11.130 428 H LEU 55 HN LEU 55 43.610 25.866 13.145 429 HA LEU 55 HA LEU 55 44.068 23.789 14.020 430 HB2 LEU 55 HB2 LEU 55 42.050 24.634 16.116 431 HB3 LEU 55 HB1 LEU 55 43.247 23.351 16.280 432 HG LEU 55 HG LEU 55 43.881 26.281 15.818 433 HD11 LEU 55 HD11 LEU 55 44.540 26.352 18.130 434 HD12 LEU 55 HD12 LEU 55 44.324 24.611 18.304 435 HD13 LEU 55 HD13 LEU 55 42.920 25.654 18.081 436 HD21 LEU 55 HD21 LEU 55 45.556 23.781 16.041 437 HD22 LEU 55 HD22 LEU 55 46.213 25.319 16.600 438 HD23 LEU 55 HD23 LEU 55 45.720 25.134 14.921 439 H ARG 56 HN ARG 56 40.710 23.922 15.135 440 HA ARG 56 HA ARG 56 40.139 21.338 14.038 441 HB2 ARG 56 HB2 ARG 56 38.268 23.437 15.170 442 HB3 ARG 56 HB1 ARG 56 37.849 21.755 14.858 443 HG2 ARG 56 HG2 ARG 56 40.178 22.441 16.649 444 HG3 ARG 56 HG1 ARG 56 38.534 22.446 17.281 445 HD2 ARG 56 HD2 ARG 56 39.854 20.085 15.901 446 HD3 ARG 56 HD1 ARG 56 39.662 20.266 17.638 447 HE ARG 56 HE ARG 56 37.122 20.551 16.543 448 HH11 ARG 56 HH11 ARG 56 35.705 18.778 16.436 449 HH12 ARG 56 HH12 ARG 56 36.339 17.166 16.460 450 HH21 ARG 56 HH21 ARG 56 39.646 18.188 16.680 451 HH22 ARG 56 HH22 ARG 56 38.570 16.833 16.599 452 H TYR 57 HN TYR 57 38.849 20.790 12.296 453 HA TYR 57 HA TYR 57 37.542 22.780 10.680 454 HB2 TYR 57 HB2 TYR 57 39.816 23.191 9.930 455 HB3 TYR 57 HB1 TYR 57 40.070 21.468 9.651 456 HD1 TYR 57 HD1 TYR 57 37.999 24.388 8.598 457 HD2 TYR 57 HD2 TYR 57 39.412 20.454 7.607 458 HE1 TYR 57 HE1 TYR 57 37.055 24.623 6.318 459 HE2 TYR 57 HE2 TYR 57 38.467 20.689 5.327 460 HH TYR 57 HH TYR 57 37.343 23.699 4.106 Start of MODEL 13 1 H1 GLY 1 HT1 GLY 1 10.006 19.556 75.306 2 H2 GLY 1 HT2 GLY 1 11.639 19.469 74.842 3 H3 GLY 1 HT3 GLY 1 10.887 20.980 75.035 4 HA2 GLY 1 HA2 GLY 1 11.744 21.003 77.075 5 HA3 GLY 1 HA1 GLY 1 10.494 19.815 77.450 6 H SER 2 HN SER 2 12.212 19.156 79.048 7 HA SER 2 HA SER 2 14.636 17.958 78.224 8 HB2 SER 2 HB2 SER 2 14.685 16.970 80.452 9 HB3 SER 2 HB1 SER 2 14.149 18.644 80.556 10 HG SER 2 HG SER 2 12.036 17.915 80.730 11 H ALA 3 HN ALA 3 11.357 16.864 78.174 12 HA ALA 3 HA ALA 3 11.746 14.074 78.224 13 HB1 ALA 3 HB1 ALA 3 9.633 15.657 76.742 14 HB2 ALA 3 HB2 ALA 3 9.532 15.146 78.426 15 HB3 ALA 3 HB3 ALA 3 9.553 13.940 77.137 16 H GLY 4 HN GLY 4 11.850 16.421 75.576 17 HA2 GLY 4 HA2 GLY 4 13.031 16.271 73.572 18 HA3 GLY 4 HA1 GLY 4 13.481 14.619 73.992 19 H LEU 5 HN LEU 5 10.213 14.893 74.469 20 HA LEU 5 HA LEU 5 9.539 13.198 72.306 21 HB2 LEU 5 HB2 LEU 5 7.839 14.869 74.163 22 HB3 LEU 5 HB1 LEU 5 7.154 13.792 72.952 23 HG LEU 5 HG LEU 5 9.114 12.885 75.089 24 HD11 LEU 5 HD11 LEU 5 7.131 13.631 76.225 25 HD12 LEU 5 HD12 LEU 5 7.043 11.872 76.135 26 HD13 LEU 5 HD13 LEU 5 6.088 12.861 75.031 27 HD21 LEU 5 HD21 LEU 5 9.182 11.228 73.438 28 HD22 LEU 5 HD22 LEU 5 7.521 11.513 72.927 29 HD23 LEU 5 HD23 LEU 5 7.848 10.647 74.426 30 H GLN 6 HN GLN 6 9.257 16.688 72.780 31 HA GLN 6 HA GLN 6 7.773 17.257 70.444 32 HB2 GLN 6 HB2 GLN 6 9.693 18.919 72.086 33 HB3 GLN 6 HB1 GLN 6 8.772 19.567 70.731 34 HG2 GLN 6 HG2 GLN 6 7.496 20.036 72.704 35 HG3 GLN 6 HG1 GLN 6 6.676 18.709 71.886 36 HE21 GLN 6 HE21 GLN 6 5.882 17.401 73.557 37 HE22 GLN 6 HE22 GLN 6 6.811 16.843 74.863 38 H GLU 7 HN GLU 7 11.241 16.988 71.057 39 HA GLU 7 HA GLU 7 12.134 17.943 68.553 40 HB2 GLU 7 HB2 GLU 7 13.397 16.055 70.543 41 HB3 GLU 7 HB1 GLU 7 14.218 16.601 69.081 42 HG2 GLU 7 HG2 GLU 7 13.057 18.495 71.145 43 HG3 GLU 7 HG1 GLU 7 14.736 17.969 71.142 44 H LYS 8 HN LYS 8 11.183 14.730 69.662 45 HA LYS 8 HA LYS 8 10.766 12.772 68.530 46 HB2 LYS 8 HB2 LYS 8 10.330 14.691 66.225 47 HB3 LYS 8 HB1 LYS 8 9.836 13.000 66.254 48 HG2 LYS 8 HG2 LYS 8 8.410 13.450 68.222 49 HG3 LYS 8 HG1 LYS 8 8.895 15.146 68.175 50 HD2 LYS 8 HD2 LYS 8 7.943 15.362 65.909 51 HD3 LYS 8 HD1 LYS 8 7.450 13.669 65.957 52 HE2 LYS 8 HE2 LYS 8 6.021 14.132 67.912 53 HE3 LYS 8 HE1 LYS 8 6.516 15.825 67.876 54 HZ1 LYS 8 HZ1 LYS 8 5.262 14.484 65.554 55 HZ2 LYS 8 HZ2 LYS 8 5.468 16.150 65.818 56 HZ3 LYS 8 HZ3 LYS 8 4.351 15.271 66.748 57 H GLU 9 HN GLU 9 13.510 13.618 68.742 58 HA GLU 9 HA GLU 9 15.596 13.276 67.822 59 HB2 GLU 9 HB2 GLU 9 14.063 10.904 66.728 60 HB3 GLU 9 HB1 GLU 9 15.816 11.058 66.684 61 HG2 GLU 9 HG2 GLU 9 15.453 9.815 68.644 62 HG3 GLU 9 HG1 GLU 9 15.630 11.457 69.253 63 H ARG 10 HN ARG 10 13.740 14.963 66.271 64 HA ARG 10 HA ARG 10 13.598 15.980 64.217 65 HB2 ARG 10 HB2 ARG 10 16.404 14.864 64.041 66 HB3 ARG 10 HB1 ARG 10 15.733 16.071 62.944 67 HG2 ARG 10 HG2 ARG 10 15.235 17.500 64.974 68 HG3 ARG 10 HG1 ARG 10 16.171 16.348 65.927 69 HD2 ARG 10 HD2 ARG 10 17.211 17.870 63.521 70 HD3 ARG 10 HD1 ARG 10 17.547 18.283 65.199 71 HE ARG 10 HE ARG 10 18.672 16.048 63.696 72 HH11 ARG 10 HH11 ARG 10 20.363 14.959 64.747 73 HH12 ARG 10 HH12 ARG 10 20.665 15.255 66.427 74 HH21 ARG 10 HH21 ARG 10 18.086 17.549 66.760 75 HH22 ARG 10 HH22 ARG 10 19.377 16.722 67.567 76 H GLU 11 HN GLU 11 12.542 13.299 64.366 77 HA GLU 11 HA GLU 11 13.313 11.725 62.140 78 HB2 GLU 11 HB2 GLU 11 10.783 11.874 63.775 79 HB3 GLU 11 HB1 GLU 11 10.940 10.771 62.408 80 HG2 GLU 11 HG2 GLU 11 12.937 10.863 64.681 81 HG3 GLU 11 HG1 GLU 11 11.546 9.781 64.670 82 H LEU 12 HN LEU 12 10.940 14.312 62.537 83 HA LEU 12 HA LEU 12 9.698 14.075 60.018 84 HB2 LEU 12 HB2 LEU 12 10.039 16.394 61.918 85 HB3 LEU 12 HB1 LEU 12 9.168 16.561 60.397 86 HG LEU 12 HG LEU 12 7.674 16.068 62.340 87 HD11 LEU 12 HD11 LEU 12 6.247 14.731 61.113 88 HD12 LEU 12 HD12 LEU 12 7.517 13.620 60.610 89 HD13 LEU 12 HD13 LEU 12 7.365 15.197 59.836 90 HD21 LEU 12 HD21 LEU 12 8.877 13.297 62.339 91 HD22 LEU 12 HD22 LEU 12 7.767 14.006 63.508 92 HD23 LEU 12 HD23 LEU 12 9.439 14.557 63.437 93 H GLU 13 HN GLU 13 12.557 15.876 61.079 94 HA GLU 13 HA GLU 13 12.994 17.304 58.687 95 HB2 GLU 13 HB2 GLU 13 14.128 17.831 60.819 96 HB3 GLU 13 HB1 GLU 13 15.041 16.327 60.694 97 HG2 GLU 13 HG2 GLU 13 16.059 17.085 58.598 98 HG3 GLU 13 HG1 GLU 13 15.097 18.560 58.643 99 H ASP 14 HN ASP 14 14.098 14.115 59.775 100 HA ASP 14 HA ASP 14 15.805 13.544 57.610 101 HB2 ASP 14 HB2 ASP 14 15.742 12.234 59.709 102 HB3 ASP 14 HB1 ASP 14 14.158 11.607 59.253 103 H LEU 15 HN LEU 15 12.340 12.931 58.087 104 HA LEU 15 HA LEU 15 11.908 11.504 55.687 105 HB2 LEU 15 HB2 LEU 15 10.056 13.195 57.377 106 HB3 LEU 15 HB1 LEU 15 9.510 12.231 56.009 107 HG LEU 15 HG LEU 15 11.032 11.098 58.376 108 HD11 LEU 15 HD11 LEU 15 8.941 11.858 59.240 109 HD12 LEU 15 HD12 LEU 15 8.736 10.132 58.948 110 HD13 LEU 15 HD13 LEU 15 8.067 11.303 57.812 111 HD21 LEU 15 HD21 LEU 15 9.780 8.973 57.362 112 HD22 LEU 15 HD22 LEU 15 11.307 9.515 56.678 113 HD23 LEU 15 HD23 LEU 15 9.789 9.937 55.886 114 H LYS 16 HN LYS 16 11.815 14.956 56.448 115 HA LYS 16 HA LYS 16 10.766 15.866 54.009 116 HB2 LYS 16 HB2 LYS 16 10.941 17.301 55.984 117 HB3 LYS 16 HB1 LYS 16 12.698 17.225 55.904 118 HG2 LYS 16 HG2 LYS 16 11.868 19.328 54.932 119 HG3 LYS 16 HG1 LYS 16 12.647 18.346 53.697 120 HD2 LYS 16 HD2 LYS 16 10.593 17.740 52.704 121 HD3 LYS 16 HD1 LYS 16 9.666 18.167 54.144 122 HE2 LYS 16 HE2 LYS 16 9.367 19.861 52.385 123 HE3 LYS 16 HE1 LYS 16 10.217 20.554 53.766 124 HZ1 LYS 16 HZ1 LYS 16 12.298 20.264 52.632 125 HZ2 LYS 16 HZ2 LYS 16 11.238 21.130 51.626 126 HZ3 LYS 16 HZ3 LYS 16 11.538 19.485 51.332 127 H ASP 17 HN ASP 17 14.118 15.313 55.043 128 HA ASP 17 HA ASP 17 15.378 16.249 52.702 129 HB2 ASP 17 HB2 ASP 17 16.212 14.211 54.768 130 HB3 ASP 17 HB1 ASP 17 17.262 14.719 53.446 131 H ALA 18 HN ALA 18 14.100 13.069 53.583 132 HA ALA 18 HA ALA 18 15.087 11.626 51.373 133 HB1 ALA 18 HB1 ALA 18 13.524 9.934 51.966 134 HB2 ALA 18 HB2 ALA 18 12.447 11.097 52.742 135 HB3 ALA 18 HB3 ALA 18 13.997 10.699 53.483 136 H GLU 19 HN GLU 19 12.133 13.521 51.824 137 HA GLU 19 HA GLU 19 10.866 12.828 49.399 138 HB2 GLU 19 HB2 GLU 19 10.685 15.295 51.136 139 HB3 GLU 19 HB1 GLU 19 9.658 15.028 49.727 140 HG2 GLU 19 HG2 GLU 19 8.758 12.996 50.689 141 HG3 GLU 19 HG1 GLU 19 9.895 13.079 52.034 142 H LEU 20 HN LEU 20 13.195 15.365 50.216 143 HA LEU 20 HA LEU 20 13.103 16.771 47.779 144 HB2 LEU 20 HB2 LEU 20 14.186 17.670 49.788 145 HB3 LEU 20 HB1 LEU 20 15.412 16.409 49.708 146 HG LEU 20 HG LEU 20 16.162 17.273 47.512 147 HD11 LEU 20 HD11 LEU 20 15.223 19.679 47.000 148 HD12 LEU 20 HD12 LEU 20 13.834 19.141 47.943 149 HD13 LEU 20 HD13 LEU 20 14.303 18.268 46.485 150 HD21 LEU 20 HD21 LEU 20 17.072 19.448 48.358 151 HD22 LEU 20 HD22 LEU 20 17.253 18.129 49.513 152 HD23 LEU 20 HD23 LEU 20 15.979 19.327 49.737 153 H LYS 21 HN LYS 21 15.123 14.047 48.839 154 HA LYS 21 HA LYS 21 16.737 13.865 46.542 155 HB2 LYS 21 HB2 LYS 21 17.231 12.683 48.649 156 HB3 LYS 21 HB1 LYS 21 15.826 11.647 48.395 157 HG2 LYS 21 HG2 LYS 21 16.811 10.790 46.310 158 HG3 LYS 21 HG1 LYS 21 18.199 11.859 46.515 159 HD2 LYS 21 HD2 LYS 21 18.790 10.729 48.607 160 HD3 LYS 21 HD1 LYS 21 17.373 9.689 48.463 161 HE2 LYS 21 HE2 LYS 21 19.363 8.503 47.658 162 HE3 LYS 21 HE1 LYS 21 18.260 8.810 46.316 163 HZ1 LYS 21 HZ1 LYS 21 20.652 10.426 47.019 164 HZ2 LYS 21 HZ2 LYS 21 19.571 10.774 45.756 165 HZ3 LYS 21 HZ3 LYS 21 20.516 9.363 45.704 166 H ARG 22 HN ARG 22 13.631 12.339 47.346 167 HA ARG 22 HA ARG 22 13.397 10.732 45.048 168 HB2 ARG 22 HB2 ARG 22 11.954 10.486 47.036 169 HB3 ARG 22 HB1 ARG 22 11.194 12.036 46.668 170 HG2 ARG 22 HG2 ARG 22 10.350 11.178 44.556 171 HG3 ARG 22 HG1 ARG 22 11.225 9.665 44.779 172 HD2 ARG 22 HD2 ARG 22 9.088 10.684 46.666 173 HD3 ARG 22 HD1 ARG 22 8.794 9.516 45.382 174 HE ARG 22 HE ARG 22 10.917 8.539 46.921 175 HH11 ARG 22 HH11 ARG 22 10.524 6.988 48.535 176 HH12 ARG 22 HH12 ARG 22 8.935 6.827 49.206 177 HH21 ARG 22 HH21 ARG 22 7.566 9.338 47.246 178 HH22 ARG 22 HH22 ARG 22 7.261 8.158 48.475 179 H LEU 23 HN LEU 23 12.332 14.056 45.692 180 HA LEU 23 HA LEU 23 11.033 14.492 43.222 181 HB2 LEU 23 HB2 LEU 23 12.342 16.401 45.167 182 HB3 LEU 23 HB1 LEU 23 11.420 16.931 43.763 183 HG LEU 23 HG LEU 23 10.319 15.099 45.916 184 HD11 LEU 23 HD11 LEU 23 9.857 18.073 45.543 185 HD12 LEU 23 HD12 LEU 23 10.913 17.372 46.771 186 HD13 LEU 23 HD13 LEU 23 9.179 17.053 46.815 187 HD21 LEU 23 HD21 LEU 23 9.197 16.381 43.430 188 HD22 LEU 23 HD22 LEU 23 8.133 16.159 44.816 189 HD23 LEU 23 HD23 LEU 23 8.915 14.767 44.080 190 H ASN 24 HN ASN 24 14.381 14.921 44.254 191 HA ASN 24 HA ASN 24 15.342 16.300 42.005 192 HB2 ASN 24 HB2 ASN 24 16.561 15.905 44.181 193 HB3 ASN 24 HB1 ASN 24 16.887 14.267 43.619 194 HD21 ASN 24 HD21 ASN 24 19.178 14.535 43.330 195 HD22 ASN 24 HD22 ASN 24 19.831 15.585 42.166 196 H GLU 25 HN GLU 25 14.949 12.842 42.626 197 HA GLU 25 HA GLU 25 15.053 11.009 41.257 198 HB2 GLU 25 HB2 GLU 25 14.389 13.094 39.158 199 HB3 GLU 25 HB1 GLU 25 14.305 11.351 38.910 200 HG2 GLU 25 HG2 GLU 25 12.656 11.169 40.736 201 HG3 GLU 25 HG1 GLU 25 12.737 12.913 40.979 202 H GLU 26 HN GLU 26 15.966 10.692 38.610 203 HA GLU 26 HA GLU 26 18.854 11.218 38.964 204 HB2 GLU 26 HB2 GLU 26 17.417 9.250 37.166 205 HB3 GLU 26 HB1 GLU 26 19.165 9.399 37.344 206 HG2 GLU 26 HG2 GLU 26 17.267 8.780 39.623 207 HG3 GLU 26 HG1 GLU 26 18.190 7.565 38.741 208 H ARG 27 HN ARG 27 16.259 12.550 37.404 209 HA ARG 27 HA ARG 27 17.199 12.947 34.775 210 HB2 ARG 27 HB2 ARG 27 15.559 14.726 34.632 211 HB3 ARG 27 HB1 ARG 27 14.865 13.377 35.532 212 HG2 ARG 27 HG2 ARG 27 15.484 14.533 37.661 213 HG3 ARG 27 HG1 ARG 27 16.042 15.912 36.715 214 HD2 ARG 27 HD2 ARG 27 13.787 16.146 35.732 215 HD3 ARG 27 HD1 ARG 27 13.228 14.789 36.707 216 HE ARG 27 HE ARG 27 14.381 16.724 38.411 217 HH11 ARG 27 HH11 ARG 27 13.005 18.101 39.582 218 HH12 ARG 27 HH12 ARG 27 11.369 18.332 39.057 219 HH21 ARG 27 HH21 ARG 27 11.667 16.218 36.325 220 HH22 ARG 27 HH22 ARG 27 10.613 17.265 37.214 221 H HIS 28 HN HIS 28 17.946 14.550 37.792 222 HA HIS 28 HA HIS 28 19.120 16.895 36.722 223 HB2 HIS 28 HB2 HIS 28 19.487 15.423 39.333 224 HB3 HIS 28 HB1 HIS 28 20.353 16.915 38.962 225 HD2 HIS 28 HD2 HIS 28 18.833 19.240 39.257 226 HE1 HIS 28 HE1 HIS 28 15.109 17.372 39.935 227 HE2 HIS 28 HE2 HIS 28 16.330 19.598 39.905 228 H ASP 29 HN ASP 29 20.408 13.689 37.469 229 HA ASP 29 HA ASP 29 23.137 14.254 37.055 230 HB2 ASP 29 HB2 ASP 29 22.286 12.171 38.098 231 HB3 ASP 29 HB1 ASP 29 21.670 11.658 36.528 232 H HIS 30 HN HIS 30 20.584 13.219 34.826 233 HA HIS 30 HA HIS 30 22.179 12.849 32.543 234 HB2 HIS 30 HB2 HIS 30 19.865 12.076 32.642 235 HB3 HIS 30 HB1 HIS 30 19.292 13.740 32.748 236 HD2 HIS 30 HD2 HIS 30 18.847 14.903 30.274 237 HE1 HIS 30 HE1 HIS 30 21.031 12.153 27.931 238 HE2 HIS 30 HE2 HIS 30 19.519 14.192 27.853 239 H ASP 31 HN ASP 31 20.457 15.734 33.722 240 HA ASP 31 HA ASP 31 21.111 17.435 31.577 241 HB2 ASP 31 HB2 ASP 31 20.490 17.994 34.480 242 HB3 ASP 31 HB1 ASP 31 20.736 19.271 33.290 243 H LYS 32 HN LYS 32 22.822 16.676 34.578 244 HA LYS 32 HA LYS 32 24.873 18.608 34.314 245 HB2 LYS 32 HB2 LYS 32 24.786 15.952 35.751 246 HB3 LYS 32 HB1 LYS 32 26.173 17.038 35.825 247 HG2 LYS 32 HG2 LYS 32 24.730 18.832 36.711 248 HG3 LYS 32 HG1 LYS 32 23.337 17.756 36.641 249 HD2 LYS 32 HD2 LYS 32 24.443 16.210 38.214 250 HD3 LYS 32 HD1 LYS 32 25.839 17.286 38.288 251 HE2 LYS 32 HE2 LYS 32 24.413 19.089 39.179 252 HE3 LYS 32 HE1 LYS 32 23.010 18.022 39.097 253 HZ1 LYS 32 HZ1 LYS 32 25.039 18.175 41.083 254 HZ2 LYS 32 HZ2 LYS 32 24.925 16.601 40.457 255 HZ3 LYS 32 HZ3 LYS 32 23.557 17.353 41.125 256 H ARG 33 HN ARG 33 24.548 15.295 33.130 257 HA ARG 33 HA ARG 33 27.168 14.948 32.165 258 HB2 ARG 33 HB2 ARG 33 25.549 13.103 32.374 259 HB3 ARG 33 HB1 ARG 33 24.586 13.802 31.074 260 HG2 ARG 33 HG2 ARG 33 26.403 13.506 29.492 261 HG3 ARG 33 HG1 ARG 33 27.485 12.974 30.777 262 HD2 ARG 33 HD2 ARG 33 26.082 11.010 31.183 263 HD3 ARG 33 HD1 ARG 33 24.935 11.554 29.961 264 HE ARG 33 HE ARG 33 27.414 11.390 28.700 265 HH11 ARG 33 HH11 ARG 33 27.988 9.536 27.523 266 HH12 ARG 33 HH12 ARG 33 27.211 8.025 27.863 267 HH21 ARG 33 HH21 ARG 33 25.197 9.322 30.370 268 HH22 ARG 33 HH22 ARG 33 25.631 7.904 29.474 269 H GLU 34 HN GLU 34 24.262 16.272 30.610 270 HA GLU 34 HA GLU 34 25.365 16.656 28.047 271 HB2 GLU 34 HB2 GLU 34 22.945 16.778 28.524 272 HB3 GLU 34 HB1 GLU 34 23.204 18.257 29.447 273 HG2 GLU 34 HG2 GLU 34 22.443 18.807 27.187 274 HG3 GLU 34 HG1 GLU 34 24.101 19.355 27.403 275 H ALA 35 HN ALA 35 25.253 18.757 30.904 276 HA ALA 35 HA ALA 35 26.385 21.052 29.729 277 HB1 ALA 35 HB1 ALA 35 25.352 21.284 31.864 278 HB2 ALA 35 HB2 ALA 35 27.070 21.585 32.119 279 HB3 ALA 35 HB3 ALA 35 26.372 20.029 32.570 280 H GLU 36 HN GLU 36 27.856 18.223 31.265 281 HA GLU 36 HA GLU 36 30.519 19.146 31.297 282 HB2 GLU 36 HB2 GLU 36 29.748 17.156 32.544 283 HB3 GLU 36 HB1 GLU 36 29.494 16.306 31.021 284 HG2 GLU 36 HG2 GLU 36 31.650 15.661 31.985 285 HG3 GLU 36 HG1 GLU 36 31.914 16.563 30.497 286 H ARG 37 HN ARG 37 28.651 17.392 28.846 287 HA ARG 37 HA ARG 37 30.757 16.969 27.020 288 HB2 ARG 37 HB2 ARG 37 27.770 17.241 26.632 289 HB3 ARG 37 HB1 ARG 37 28.870 16.820 25.322 290 HG2 ARG 37 HG2 ARG 37 28.930 15.239 27.890 291 HG3 ARG 37 HG1 ARG 37 27.689 14.904 26.685 292 HD2 ARG 37 HD2 ARG 37 30.672 14.896 26.110 293 HD3 ARG 37 HD1 ARG 37 29.710 13.461 26.426 294 HE ARG 37 HE ARG 37 28.428 14.796 24.360 295 HH11 ARG 37 HH11 ARG 37 28.824 14.241 22.194 296 HH12 ARG 37 HH12 ARG 37 30.307 13.455 21.765 297 HH21 ARG 37 HH21 ARG 37 31.531 13.410 25.009 298 HH22 ARG 37 HH22 ARG 37 31.839 12.984 23.358 299 H LYS 38 HN LYS 38 28.513 19.663 27.463 300 HA LYS 38 HA LYS 38 29.188 21.127 25.154 301 HB2 LYS 38 HB2 LYS 38 27.229 21.637 26.565 302 HB3 LYS 38 HB1 LYS 38 28.302 22.164 27.860 303 HG2 LYS 38 HG2 LYS 38 29.209 23.937 26.411 304 HG3 LYS 38 HG1 LYS 38 28.169 23.397 25.090 305 HD2 LYS 38 HD2 LYS 38 26.175 23.887 26.455 306 HD3 LYS 38 HD1 LYS 38 27.211 24.421 27.779 307 HE2 LYS 38 HE2 LYS 38 28.145 26.193 26.345 308 HE3 LYS 38 HE1 LYS 38 27.120 25.659 25.012 309 HZ1 LYS 38 HZ1 LYS 38 25.733 26.170 27.499 310 HZ2 LYS 38 HZ2 LYS 38 25.314 26.603 25.909 311 HZ3 LYS 38 HZ3 LYS 38 26.428 27.542 26.784 312 H ALA 39 HN ALA 39 30.549 21.154 28.431 313 HA ALA 39 HA ALA 39 32.393 23.247 28.052 314 HB1 ALA 39 HB1 ALA 39 33.631 22.114 29.961 315 HB2 ALA 39 HB2 ALA 39 32.385 20.867 29.911 316 HB3 ALA 39 HB3 ALA 39 31.950 22.534 30.282 317 H LEU 40 HN LEU 40 32.629 19.765 27.467 318 HA LEU 40 HA LEU 40 35.378 19.636 26.909 319 HB2 LEU 40 HB2 LEU 40 34.000 17.638 27.262 320 HB3 LEU 40 HB1 LEU 40 33.105 17.977 25.783 321 HG LEU 40 HG LEU 40 35.187 17.718 24.463 322 HD11 LEU 40 HD11 LEU 40 36.966 18.316 25.876 323 HD12 LEU 40 HD12 LEU 40 37.112 16.562 25.819 324 HD13 LEU 40 HD13 LEU 40 36.364 17.338 27.214 325 HD21 LEU 40 HD21 LEU 40 35.283 15.333 24.597 326 HD22 LEU 40 HD22 LEU 40 33.646 15.777 25.079 327 HD23 LEU 40 HD23 LEU 40 34.837 15.342 26.304 328 H GLU 41 HN GLU 41 32.598 20.185 24.759 329 HA GLU 41 HA GLU 41 34.071 20.370 22.354 330 HB2 GLU 41 HB2 GLU 41 31.619 20.052 22.438 331 HB3 GLU 41 HB1 GLU 41 31.439 21.690 23.062 332 HG2 GLU 41 HG2 GLU 41 32.444 22.609 21.024 333 HG3 GLU 41 HG1 GLU 41 32.717 20.981 20.405 334 H ASP 42 HN ASP 42 33.095 22.781 24.746 335 HA ASP 42 HA ASP 42 33.938 25.079 23.343 336 HB2 ASP 42 HB2 ASP 42 33.596 24.511 26.286 337 HB3 ASP 42 HB1 ASP 42 34.035 26.101 25.665 338 H LYS 43 HN LYS 43 35.717 22.644 25.030 339 HA LYS 43 HA LYS 43 37.992 24.035 25.846 340 HB2 LYS 43 HB2 LYS 43 37.513 21.652 26.364 341 HB3 LYS 43 HB1 LYS 43 37.894 21.245 24.691 342 HG2 LYS 43 HG2 LYS 43 40.166 21.992 24.940 343 HG3 LYS 43 HG1 LYS 43 39.824 22.695 26.519 344 HD2 LYS 43 HD2 LYS 43 40.922 20.628 26.969 345 HD3 LYS 43 HD1 LYS 43 39.213 20.325 27.278 346 HE2 LYS 43 HE2 LYS 43 38.959 19.259 25.104 347 HE3 LYS 43 HE1 LYS 43 40.609 19.690 24.661 348 HZ1 LYS 43 HZ1 LYS 43 41.466 18.059 25.927 349 HZ2 LYS 43 HZ2 LYS 43 39.934 17.354 25.725 350 HZ3 LYS 43 HZ3 LYS 43 40.293 18.217 27.142 351 H LEU 44 HN LEU 44 39.618 25.006 24.819 352 HA LEU 44 HA LEU 44 40.904 25.863 23.114 353 HB2 LEU 44 HB2 LEU 44 40.536 23.007 22.215 354 HB3 LEU 44 HB1 LEU 44 41.606 24.136 21.390 355 HG LEU 44 HG LEU 44 41.798 23.544 24.357 356 HD11 LEU 44 HD11 LEU 44 43.375 22.328 22.075 357 HD12 LEU 44 HD12 LEU 44 42.138 21.493 23.013 358 HD13 LEU 44 HD13 LEU 44 43.630 22.018 23.792 359 HD21 LEU 44 HD21 LEU 44 44.252 24.322 23.740 360 HD22 LEU 44 HD22 LEU 44 42.998 25.528 23.997 361 HD23 LEU 44 HD23 LEU 44 43.462 25.077 22.357 362 H ALA 45 HN ALA 45 37.759 25.342 22.750 363 HA ALA 45 HA ALA 45 37.279 25.365 19.975 364 HB1 ALA 45 HB1 ALA 45 35.509 24.953 21.623 365 HB2 ALA 45 HB2 ALA 45 35.071 26.280 20.550 366 HB3 ALA 45 HB3 ALA 45 35.636 26.619 22.186 367 H ASP 46 HN ASP 46 37.862 27.993 22.274 368 HA ASP 46 HA ASP 46 37.586 30.024 20.194 369 HB2 ASP 46 HB2 ASP 46 36.774 30.473 22.480 370 HB3 ASP 46 HB1 ASP 46 38.415 30.275 23.095 371 H LYS 47 HN LYS 47 39.232 30.055 18.770 372 HA LYS 47 HA LYS 47 41.890 29.289 19.286 373 HB2 LYS 47 HB2 LYS 47 40.935 29.449 17.016 374 HB3 LYS 47 HB1 LYS 47 40.847 31.201 17.179 375 HG2 LYS 47 HG2 LYS 47 43.289 31.321 17.436 376 HG3 LYS 47 HG1 LYS 47 43.397 29.563 17.332 377 HD2 LYS 47 HD2 LYS 47 42.429 29.644 15.059 378 HD3 LYS 47 HD1 LYS 47 42.348 31.404 15.163 379 HE2 LYS 47 HE2 LYS 47 44.894 29.771 15.390 380 HE3 LYS 47 HE1 LYS 47 44.373 30.630 13.940 381 HZ1 LYS 47 HZ1 LYS 47 44.202 32.580 15.711 382 HZ2 LYS 47 HZ2 LYS 47 45.628 32.248 14.852 383 HZ3 LYS 47 HZ3 LYS 47 45.437 31.677 16.441 384 H GLN 48 HN GLN 48 40.326 32.478 19.288 385 HA GLN 48 HA GLN 48 42.332 33.485 21.140 386 HB2 GLN 48 HB2 GLN 48 42.935 35.409 19.735 387 HB3 GLN 48 HB1 GLN 48 43.393 33.894 18.958 388 HG2 GLN 48 HG2 GLN 48 41.279 33.971 17.638 389 HG3 GLN 48 HG1 GLN 48 40.915 35.537 18.360 390 HE21 GLN 48 HE21 GLN 48 42.160 34.231 15.587 391 HE22 GLN 48 HE22 GLN 48 43.202 35.487 15.123 392 H GLU 49 HN GLU 49 41.743 35.569 22.036 393 HA GLU 49 HA GLU 49 38.923 35.794 22.465 394 HB2 GLU 49 HB2 GLU 49 41.175 37.660 23.253 395 HB3 GLU 49 HB1 GLU 49 39.523 37.725 23.870 396 HG2 GLU 49 HG2 GLU 49 41.342 35.314 24.121 397 HG3 GLU 49 HG1 GLU 49 41.098 36.509 25.394 398 H HIS 50 HN HIS 50 37.506 37.394 21.804 399 HA HIS 50 HA HIS 50 37.961 38.514 19.223 400 HB2 HIS 50 HB2 HIS 50 35.759 39.503 19.475 401 HB3 HIS 50 HB1 HIS 50 35.720 37.850 20.089 402 HD2 HIS 50 HD2 HIS 50 35.102 41.448 21.366 403 HE1 HIS 50 HE1 HIS 50 35.053 38.922 24.750 404 HE2 HIS 50 HE2 HIS 50 34.566 41.271 23.916 405 H LEU 51 HN LEU 51 38.740 39.550 22.375 406 HA LEU 51 HA LEU 51 38.545 42.345 22.124 407 HB2 LEU 51 HB2 LEU 51 38.927 41.230 24.275 408 HB3 LEU 51 HB1 LEU 51 40.510 40.686 23.728 409 HG LEU 51 HG LEU 51 41.246 43.039 23.506 410 HD11 LEU 51 HD11 LEU 51 38.380 43.553 24.292 411 HD12 LEU 51 HD12 LEU 51 39.340 44.322 23.029 412 HD13 LEU 51 HD13 LEU 51 39.629 44.724 24.718 413 HD21 LEU 51 HD21 LEU 51 41.547 41.809 25.646 414 HD22 LEU 51 HD22 LEU 51 39.997 42.435 26.205 415 HD23 LEU 51 HD23 LEU 51 41.337 43.542 25.906 416 H ASP 52 HN ASP 52 41.191 40.102 21.359 417 HA ASP 52 HA ASP 52 43.113 40.363 20.119 418 HB2 ASP 52 HB2 ASP 52 41.297 42.363 18.762 419 HB3 ASP 52 HB1 ASP 52 42.887 41.915 18.148 420 H GLY 53 HN GLY 53 42.972 41.837 22.590 421 HA2 GLY 53 HA2 GLY 53 44.008 44.495 22.116 422 HA3 GLY 53 HA1 GLY 53 43.850 43.690 23.676 423 H ALA 54 HN ALA 54 46.114 45.015 23.515 424 HA ALA 54 HA ALA 54 48.285 43.774 22.199 425 HB1 ALA 54 HB1 ALA 54 48.379 46.073 23.078 426 HB2 ALA 54 HB2 ALA 54 49.694 45.088 23.718 427 HB3 ALA 54 HB3 ALA 54 48.290 45.445 24.723 428 H LEU 55 HN LEU 55 49.767 42.260 22.865 429 HA LEU 55 HA LEU 55 48.860 40.402 24.907 430 HB2 LEU 55 HB2 LEU 55 51.343 40.315 23.168 431 HB3 LEU 55 HB1 LEU 55 50.690 38.985 24.125 432 HG LEU 55 HG LEU 55 49.254 40.366 21.837 433 HD11 LEU 55 HD11 LEU 55 51.167 38.977 21.108 434 HD12 LEU 55 HD12 LEU 55 49.633 38.249 20.635 435 HD13 LEU 55 HD13 LEU 55 50.520 37.614 22.019 436 HD21 LEU 55 HD21 LEU 55 47.810 38.181 22.159 437 HD22 LEU 55 HD22 LEU 55 47.528 39.564 23.210 438 HD23 LEU 55 HD23 LEU 55 48.482 38.199 23.790 439 H ARG 56 HN ARG 56 51.201 39.402 25.978 440 HA ARG 56 HA ARG 56 51.731 41.186 28.087 441 HB2 ARG 56 HB2 ARG 56 52.020 38.753 28.283 442 HB3 ARG 56 HB1 ARG 56 53.367 38.819 27.147 443 HG2 ARG 56 HG2 ARG 56 54.662 40.192 28.662 444 HG3 ARG 56 HG1 ARG 56 53.288 40.360 29.755 445 HD2 ARG 56 HD2 ARG 56 54.830 38.666 30.616 446 HD3 ARG 56 HD1 ARG 56 53.315 37.908 30.134 447 HE ARG 56 HE ARG 56 55.190 37.871 27.984 448 HH11 ARG 56 HH11 ARG 56 56.168 35.879 27.494 449 HH12 ARG 56 HH12 ARG 56 56.149 34.600 28.663 450 HH21 ARG 56 HH21 ARG 56 54.412 36.438 31.035 451 HH22 ARG 56 HH22 ARG 56 55.155 34.917 30.667 452 H TYR 57 HN TYR 57 53.587 40.412 25.158 453 HA TYR 57 HA TYR 57 54.927 43.003 25.327 454 HB2 TYR 57 HB2 TYR 57 57.169 42.085 25.196 455 HB3 TYR 57 HB1 TYR 57 56.376 41.449 26.638 456 HD1 TYR 57 HD1 TYR 57 57.588 40.662 23.252 457 HD2 TYR 57 HD2 TYR 57 55.659 39.117 26.763 458 HE1 TYR 57 HE1 TYR 57 57.955 38.350 22.434 459 HE2 TYR 57 HE2 TYR 57 56.024 36.804 25.945 460 HH TYR 57 HH TYR 57 58.051 36.121 23.209 Start of MODEL 14 1 H1 GLY 1 HT1 GLY 1 12.652 -25.261 24.320 2 H2 GLY 1 HT2 GLY 1 12.148 -24.154 25.504 3 H3 GLY 1 HT3 GLY 1 11.464 -24.109 23.950 4 HA2 GLY 1 HA2 GLY 1 9.810 -25.266 24.909 5 HA3 GLY 1 HA1 GLY 1 10.903 -26.619 24.614 6 H SER 2 HN SER 2 12.876 -25.594 26.567 7 HA SER 2 HA SER 2 11.826 -26.892 28.898 8 HB2 SER 2 HB2 SER 2 14.408 -25.382 28.439 9 HB3 SER 2 HB1 SER 2 14.029 -26.305 29.890 10 HG SER 2 HG SER 2 15.207 -27.546 28.379 11 H ALA 3 HN ALA 3 11.772 -25.907 31.029 12 HA ALA 3 HA ALA 3 10.225 -23.563 31.122 13 HB1 ALA 3 HB1 ALA 3 11.894 -24.781 33.338 14 HB2 ALA 3 HB2 ALA 3 10.255 -25.277 32.915 15 HB3 ALA 3 HB3 ALA 3 10.552 -23.657 33.543 16 H GLY 4 HN GLY 4 13.686 -24.127 31.463 17 HA2 GLY 4 HA2 GLY 4 15.431 -22.632 31.094 18 HA3 GLY 4 HA1 GLY 4 14.247 -21.347 30.870 19 H LEU 5 HN LEU 5 13.464 -22.952 33.672 20 HA LEU 5 HA LEU 5 14.146 -20.773 35.347 21 HB2 LEU 5 HB2 LEU 5 13.306 -23.608 35.972 22 HB3 LEU 5 HB1 LEU 5 13.563 -22.391 37.216 23 HG LEU 5 HG LEU 5 11.646 -22.035 34.887 24 HD11 LEU 5 HD11 LEU 5 9.904 -22.411 36.723 25 HD12 LEU 5 HD12 LEU 5 11.218 -23.082 37.689 26 HD13 LEU 5 HD13 LEU 5 10.769 -23.843 36.163 27 HD21 LEU 5 HD21 LEU 5 12.056 -19.874 35.684 28 HD22 LEU 5 HD22 LEU 5 12.365 -20.420 37.331 29 HD23 LEU 5 HD23 LEU 5 10.714 -20.349 36.719 30 H GLN 6 HN GLN 6 15.685 -23.906 34.767 31 HA GLN 6 HA GLN 6 17.666 -23.598 36.789 32 HB2 GLN 6 HB2 GLN 6 18.792 -25.492 35.692 33 HB3 GLN 6 HB1 GLN 6 17.080 -25.809 35.954 34 HG2 GLN 6 HG2 GLN 6 17.874 -24.608 33.314 35 HG3 GLN 6 HG1 GLN 6 18.262 -26.300 33.588 36 HE21 GLN 6 HE21 GLN 6 16.660 -27.087 32.078 37 HE22 GLN 6 HE22 GLN 6 14.997 -26.961 32.390 38 H GLU 7 HN GLU 7 17.394 -22.470 33.515 39 HA GLU 7 HA GLU 7 20.147 -22.023 32.993 40 HB2 GLU 7 HB2 GLU 7 17.643 -20.740 31.893 41 HB3 GLU 7 HB1 GLU 7 19.257 -20.324 31.327 42 HG2 GLU 7 HG2 GLU 7 19.670 -22.597 30.618 43 HG3 GLU 7 HG1 GLU 7 18.171 -23.154 31.356 44 H LYS 8 HN LYS 8 17.635 -20.056 34.503 45 HA LYS 8 HA LYS 8 17.722 -18.118 35.728 46 HB2 LYS 8 HB2 LYS 8 20.549 -19.075 36.236 47 HB3 LYS 8 HB1 LYS 8 19.704 -17.828 37.154 48 HG2 LYS 8 HG2 LYS 8 18.039 -19.404 37.908 49 HG3 LYS 8 HG1 LYS 8 18.655 -20.649 36.824 50 HD2 LYS 8 HD2 LYS 8 19.499 -21.170 39.008 51 HD3 LYS 8 HD1 LYS 8 20.853 -20.515 38.091 52 HE2 LYS 8 HE2 LYS 8 20.628 -18.360 39.169 53 HE3 LYS 8 HE1 LYS 8 19.124 -18.852 39.945 54 HZ1 LYS 8 HZ1 LYS 8 20.716 -19.149 41.580 55 HZ2 LYS 8 HZ2 LYS 8 21.879 -19.749 40.498 56 HZ3 LYS 8 HZ3 LYS 8 20.550 -20.711 40.941 57 H GLU 9 HN GLU 9 18.923 -18.286 32.841 58 HA GLU 9 HA GLU 9 20.867 -16.219 32.671 59 HB2 GLU 9 HB2 GLU 9 18.973 -17.403 30.641 60 HB3 GLU 9 HB1 GLU 9 20.122 -16.127 30.238 61 HG2 GLU 9 HG2 GLU 9 21.992 -17.508 30.856 62 HG3 GLU 9 HG1 GLU 9 20.938 -18.736 31.545 63 H ARG 10 HN ARG 10 17.338 -16.233 32.500 64 HA ARG 10 HA ARG 10 16.985 -13.554 31.694 65 HB2 ARG 10 HB2 ARG 10 15.227 -15.413 33.306 66 HB3 ARG 10 HB1 ARG 10 14.711 -13.816 32.761 67 HG2 ARG 10 HG2 ARG 10 15.020 -14.433 30.443 68 HG3 ARG 10 HG1 ARG 10 15.749 -15.972 30.903 69 HD2 ARG 10 HD2 ARG 10 12.919 -15.160 31.612 70 HD3 ARG 10 HD1 ARG 10 13.338 -16.163 30.227 71 HE ARG 10 HE ARG 10 14.500 -17.338 32.486 72 HH11 ARG 10 HH11 ARG 10 13.457 -19.071 33.519 73 HH12 ARG 10 HH12 ARG 10 11.752 -19.299 33.308 74 HH21 ARG 10 HH21 ARG 10 11.375 -16.555 31.222 75 HH22 ARG 10 HH22 ARG 10 10.574 -17.874 32.008 76 H GLU 11 HN GLU 11 17.348 -15.035 34.890 77 HA GLU 11 HA GLU 11 16.766 -12.751 36.436 78 HB2 GLU 11 HB2 GLU 11 16.911 -15.029 37.375 79 HB3 GLU 11 HB1 GLU 11 18.644 -15.046 37.061 80 HG2 GLU 11 HG2 GLU 11 18.224 -14.472 39.404 81 HG3 GLU 11 HG1 GLU 11 18.920 -13.087 38.570 82 H LEU 12 HN LEU 12 19.807 -13.963 35.068 83 HA LEU 12 HA LEU 12 21.513 -12.037 36.208 84 HB2 LEU 12 HB2 LEU 12 22.350 -14.087 35.154 85 HB3 LEU 12 HB1 LEU 12 21.771 -13.532 33.587 86 HG LEU 12 HG LEU 12 23.304 -11.593 33.703 87 HD11 LEU 12 HD11 LEU 12 23.611 -11.081 35.972 88 HD12 LEU 12 HD12 LEU 12 25.136 -11.863 35.573 89 HD13 LEU 12 HD13 LEU 12 23.881 -12.766 36.421 90 HD21 LEU 12 HD21 LEU 12 24.015 -13.796 32.725 91 HD22 LEU 12 HD22 LEU 12 24.748 -14.197 34.278 92 HD23 LEU 12 HD23 LEU 12 25.358 -12.834 33.341 93 H GLU 13 HN GLU 13 19.754 -12.085 33.125 94 HA GLU 13 HA GLU 13 20.737 -9.643 32.115 95 HB2 GLU 13 HB2 GLU 13 19.507 -11.350 30.778 96 HB3 GLU 13 HB1 GLU 13 18.025 -10.891 31.612 97 HG2 GLU 13 HG2 GLU 13 19.712 -8.827 30.190 98 HG3 GLU 13 HG1 GLU 13 18.522 -9.786 29.316 99 H ASP 14 HN ASP 14 17.960 -10.409 34.164 100 HA ASP 14 HA ASP 14 16.760 -7.867 34.192 101 HB2 ASP 14 HB2 ASP 14 15.687 -9.929 35.051 102 HB3 ASP 14 HB1 ASP 14 16.808 -9.925 36.411 103 H LEU 15 HN LEU 15 19.308 -9.268 36.223 104 HA LEU 15 HA LEU 15 19.497 -7.159 38.083 105 HB2 LEU 15 HB2 LEU 15 21.551 -9.149 37.099 106 HB3 LEU 15 HB1 LEU 15 21.842 -8.034 38.430 107 HG LEU 15 HG LEU 15 19.534 -10.001 38.347 108 HD11 LEU 15 HD11 LEU 15 20.844 -11.388 39.868 109 HD12 LEU 15 HD12 LEU 15 22.165 -10.221 39.838 110 HD13 LEU 15 HD13 LEU 15 21.758 -11.127 38.383 111 HD21 LEU 15 HD21 LEU 15 19.825 -9.487 40.948 112 HD22 LEU 15 HD22 LEU 15 18.895 -8.401 39.924 113 HD23 LEU 15 HD23 LEU 15 20.556 -7.997 40.354 114 H LYS 16 HN LYS 16 21.055 -7.673 34.943 115 HA LYS 16 HA LYS 16 22.835 -5.486 35.064 116 HB2 LYS 16 HB2 LYS 16 21.555 -6.909 32.725 117 HB3 LYS 16 HB1 LYS 16 22.770 -5.643 32.540 118 HG2 LYS 16 HG2 LYS 16 24.348 -6.953 33.915 119 HG3 LYS 16 HG1 LYS 16 23.136 -8.222 34.096 120 HD2 LYS 16 HD2 LYS 16 23.108 -8.556 31.654 121 HD3 LYS 16 HD1 LYS 16 24.310 -7.280 31.462 122 HE2 LYS 16 HE2 LYS 16 25.909 -8.571 32.823 123 HE3 LYS 16 HE1 LYS 16 24.710 -9.846 33.029 124 HZ1 LYS 16 HZ1 LYS 16 24.992 -10.579 30.934 125 HZ2 LYS 16 HZ2 LYS 16 26.516 -9.843 31.089 126 HZ3 LYS 16 HZ3 LYS 16 25.253 -9.030 30.295 127 H ASP 17 HN ASP 17 19.479 -5.754 33.979 128 HA ASP 17 HA ASP 17 19.217 -3.183 32.862 129 HB2 ASP 17 HB2 ASP 17 17.561 -5.000 32.566 130 HB3 ASP 17 HB1 ASP 17 17.100 -4.835 34.260 131 H ALA 18 HN ALA 18 18.696 -4.366 36.168 132 HA ALA 18 HA ALA 18 17.716 -1.967 37.269 133 HB1 ALA 18 HB1 ALA 18 18.300 -2.929 39.430 134 HB2 ALA 18 HB2 ALA 18 19.348 -4.113 38.648 135 HB3 ALA 18 HB3 ALA 18 17.603 -4.176 38.396 136 H GLU 19 HN GLU 19 21.009 -3.193 36.848 137 HA GLU 19 HA GLU 19 22.347 -1.194 38.320 138 HB2 GLU 19 HB2 GLU 19 23.229 -2.918 35.999 139 HB3 GLU 19 HB1 GLU 19 24.318 -1.832 36.865 140 HG2 GLU 19 HG2 GLU 19 23.915 -2.997 38.952 141 HG3 GLU 19 HG1 GLU 19 22.669 -3.994 38.203 142 H LEU 20 HN LEU 20 21.337 -1.356 34.930 143 HA LEU 20 HA LEU 20 22.634 0.992 34.049 144 HB2 LEU 20 HB2 LEU 20 20.136 -0.403 33.073 145 HB3 LEU 20 HB1 LEU 20 20.873 0.961 32.238 146 HG LEU 20 HG LEU 20 22.339 -1.610 32.905 147 HD11 LEU 20 HD11 LEU 20 20.427 -1.915 31.302 148 HD12 LEU 20 HD12 LEU 20 22.004 -2.265 30.597 149 HD13 LEU 20 HD13 LEU 20 21.195 -0.740 30.236 150 HD21 LEU 20 HD21 LEU 20 23.757 -0.584 30.893 151 HD22 LEU 20 HD22 LEU 20 24.032 -0.043 32.544 152 HD23 LEU 20 HD23 LEU 20 23.051 0.932 31.452 153 H LYS 21 HN LYS 21 19.464 0.432 35.509 154 HA LYS 21 HA LYS 21 18.427 3.034 35.174 155 HB2 LYS 21 HB2 LYS 21 17.886 0.904 37.252 156 HB3 LYS 21 HB1 LYS 21 16.969 2.404 37.150 157 HG2 LYS 21 HG2 LYS 21 17.280 0.656 34.710 158 HG3 LYS 21 HG1 LYS 21 16.063 0.268 35.924 159 HD2 LYS 21 HD2 LYS 21 15.164 2.603 35.685 160 HD3 LYS 21 HD1 LYS 21 16.293 2.858 34.356 161 HE2 LYS 21 HE2 LYS 21 14.239 0.635 34.434 162 HE3 LYS 21 HE1 LYS 21 14.012 2.165 33.589 163 HZ1 LYS 21 HZ1 LYS 21 15.246 1.455 31.908 164 HZ2 LYS 21 HZ2 LYS 21 15.242 -0.091 32.614 165 HZ3 LYS 21 HZ3 LYS 21 16.515 0.988 32.933 166 H ARG 22 HN ARG 22 20.413 1.586 37.711 167 HA ARG 22 HA ARG 22 20.328 3.712 39.551 168 HB2 ARG 22 HB2 ARG 22 21.211 1.477 40.100 169 HB3 ARG 22 HB1 ARG 22 22.583 1.759 39.028 170 HG2 ARG 22 HG2 ARG 22 23.337 3.621 40.392 171 HG3 ARG 22 HG1 ARG 22 21.895 3.515 41.401 172 HD2 ARG 22 HD2 ARG 22 23.916 1.280 41.096 173 HD3 ARG 22 HD1 ARG 22 23.920 2.437 42.423 174 HE ARG 22 HE ARG 22 21.357 1.318 42.306 175 HH11 ARG 22 HH11 ARG 22 20.807 -0.389 43.699 176 HH12 ARG 22 HH12 ARG 22 22.055 -1.364 44.400 177 HH21 ARG 22 HH21 ARG 22 24.638 0.368 42.865 178 HH22 ARG 22 HH22 ARG 22 24.224 -0.935 43.927 179 H LEU 23 HN LEU 23 22.523 3.052 36.842 180 HA LEU 23 HA LEU 23 24.280 5.218 37.268 181 HB2 LEU 23 HB2 LEU 23 23.522 3.715 34.756 182 HB3 LEU 23 HB1 LEU 23 24.806 4.920 34.816 183 HG LEU 23 HG LEU 23 24.700 2.472 36.606 184 HD11 LEU 23 HD11 LEU 23 24.963 1.662 34.371 185 HD12 LEU 23 HD12 LEU 23 26.580 1.683 35.077 186 HD13 LEU 23 HD13 LEU 23 26.089 2.957 33.962 187 HD21 LEU 23 HD21 LEU 23 26.148 3.942 37.696 188 HD22 LEU 23 HD22 LEU 23 26.649 4.736 36.204 189 HD23 LEU 23 HD23 LEU 23 27.280 3.142 36.612 190 H ASN 24 HN ASN 24 21.259 4.945 35.453 191 HA ASN 24 HA ASN 24 21.341 7.453 34.179 192 HB2 ASN 24 HB2 ASN 24 19.026 5.717 35.047 193 HB3 ASN 24 HB1 ASN 24 18.825 7.192 34.103 194 HD21 ASN 24 HD21 ASN 24 20.583 7.191 32.130 195 HD22 ASN 24 HD22 ASN 24 20.593 5.747 31.237 196 H GLU 25 HN GLU 25 20.156 6.472 37.364 197 HA GLU 25 HA GLU 25 19.509 7.683 39.202 198 HB2 GLU 25 HB2 GLU 25 21.248 9.803 37.907 199 HB3 GLU 25 HB1 GLU 25 20.701 9.806 39.583 200 HG2 GLU 25 HG2 GLU 25 21.864 7.663 39.969 201 HG3 GLU 25 HG1 GLU 25 22.428 7.676 38.299 202 H GLU 26 HN GLU 26 19.182 10.627 39.245 203 HA GLU 26 HA GLU 26 16.489 10.701 38.188 204 HB2 GLU 26 HB2 GLU 26 18.121 12.779 39.682 205 HB3 GLU 26 HB1 GLU 26 16.421 12.952 39.256 206 HG2 GLU 26 HG2 GLU 26 16.303 12.129 41.449 207 HG3 GLU 26 HG1 GLU 26 16.115 10.666 40.489 208 H ARG 27 HN ARG 27 15.890 13.017 37.120 209 HA ARG 27 HA ARG 27 17.186 13.070 34.600 210 HB2 ARG 27 HB2 ARG 27 15.737 14.941 34.099 211 HB3 ARG 27 HB1 ARG 27 14.815 13.746 35.010 212 HG2 ARG 27 HG2 ARG 27 15.335 15.053 37.105 213 HG3 ARG 27 HG1 ARG 27 16.042 16.304 36.081 214 HD2 ARG 27 HD2 ARG 27 13.754 16.930 36.533 215 HD3 ARG 27 HD1 ARG 27 13.860 16.436 34.845 216 HE ARG 27 HE ARG 27 12.506 14.605 35.342 217 HH11 ARG 27 HH11 ARG 27 11.174 13.402 36.735 218 HH12 ARG 27 HH12 ARG 27 11.256 13.668 38.443 219 HH21 ARG 27 HH21 ARG 27 13.696 16.119 38.217 220 HH22 ARG 27 HH22 ARG 27 12.683 15.205 39.283 221 H HIS 28 HN HIS 28 17.835 14.636 37.604 222 HA HIS 28 HA HIS 28 19.185 16.941 36.688 223 HB2 HIS 28 HB2 HIS 28 19.444 15.304 39.214 224 HB3 HIS 28 HB1 HIS 28 20.352 16.792 38.943 225 HD2 HIS 28 HD2 HIS 28 18.877 19.141 39.318 226 HE1 HIS 28 HE1 HIS 28 15.117 17.314 39.912 227 HE2 HIS 28 HE2 HIS 28 16.379 19.517 39.978 228 H ASP 29 HN ASP 29 20.287 13.633 37.299 229 HA ASP 29 HA ASP 29 23.048 14.078 36.969 230 HB2 ASP 29 HB2 ASP 29 22.078 11.997 37.897 231 HB3 ASP 29 HB1 ASP 29 21.465 11.588 36.295 232 H HIS 30 HN HIS 30 20.507 13.254 34.633 233 HA HIS 30 HA HIS 30 22.153 12.929 32.377 234 HB2 HIS 30 HB2 HIS 30 19.815 12.232 32.374 235 HB3 HIS 30 HB1 HIS 30 19.292 13.907 32.550 236 HD2 HIS 30 HD2 HIS 30 18.944 15.204 30.129 237 HE1 HIS 30 HE1 HIS 30 21.108 12.510 27.704 238 HE2 HIS 30 HE2 HIS 30 19.659 14.596 27.694 239 H ASP 31 HN ASP 31 20.486 15.818 33.629 240 HA ASP 31 HA ASP 31 21.291 17.583 31.585 241 HB2 ASP 31 HB2 ASP 31 20.549 18.042 34.477 242 HB3 ASP 31 HB1 ASP 31 20.895 19.359 33.357 243 H LYS 32 HN LYS 32 22.825 16.644 34.633 244 HA LYS 32 HA LYS 32 24.936 18.508 34.601 245 HB2 LYS 32 HB2 LYS 32 24.360 17.137 36.570 246 HB3 LYS 32 HB1 LYS 32 24.915 15.694 35.723 247 HG2 LYS 32 HG2 LYS 32 27.182 16.631 35.565 248 HG3 LYS 32 HG1 LYS 32 26.638 18.109 36.359 249 HD2 LYS 32 HD2 LYS 32 26.023 16.797 38.364 250 HD3 LYS 32 HD1 LYS 32 26.596 15.329 37.571 251 HE2 LYS 32 HE2 LYS 32 28.306 17.768 38.135 252 HE3 LYS 32 HE1 LYS 32 28.304 16.293 39.102 253 HZ1 LYS 32 HZ1 LYS 32 29.629 15.305 37.648 254 HZ2 LYS 32 HZ2 LYS 32 29.808 16.796 36.853 255 HZ3 LYS 32 HZ3 LYS 32 28.615 15.699 36.346 256 H ARG 33 HN ARG 33 24.685 15.227 33.262 257 HA ARG 33 HA ARG 33 27.338 15.079 32.284 258 HB2 ARG 33 HB2 ARG 33 24.803 13.651 31.472 259 HB3 ARG 33 HB1 ARG 33 26.370 13.310 30.737 260 HG2 ARG 33 HG2 ARG 33 27.306 12.691 32.894 261 HG3 ARG 33 HG1 ARG 33 25.825 13.168 33.719 262 HD2 ARG 33 HD2 ARG 33 25.940 11.014 31.597 263 HD3 ARG 33 HD1 ARG 33 26.036 10.686 33.324 264 HE ARG 33 HE ARG 33 23.746 12.237 32.896 265 HH11 ARG 33 HH11 ARG 33 21.715 11.220 32.758 266 HH12 ARG 33 HH12 ARG 33 21.620 9.543 32.335 267 HH21 ARG 33 HH21 ARG 33 25.052 9.150 32.038 268 HH22 ARG 33 HH22 ARG 33 23.508 8.371 31.929 269 H GLU 34 HN GLU 34 24.328 16.262 30.862 270 HA GLU 34 HA GLU 34 25.258 16.647 28.232 271 HB2 GLU 34 HB2 GLU 34 22.875 16.737 28.850 272 HB3 GLU 34 HB1 GLU 34 23.165 18.212 29.769 273 HG2 GLU 34 HG2 GLU 34 22.253 18.759 27.561 274 HG3 GLU 34 HG1 GLU 34 23.906 19.348 27.687 275 H ALA 35 HN ALA 35 25.270 18.790 31.062 276 HA ALA 35 HA ALA 35 26.317 21.072 29.784 277 HB1 ALA 35 HB1 ALA 35 26.768 20.241 32.658 278 HB2 ALA 35 HB2 ALA 35 25.294 21.016 32.073 279 HB3 ALA 35 HB3 ALA 35 26.832 21.876 32.000 280 H GLU 36 HN GLU 36 27.893 18.303 31.327 281 HA GLU 36 HA GLU 36 30.538 19.278 31.218 282 HB2 GLU 36 HB2 GLU 36 29.449 16.457 31.224 283 HB3 GLU 36 HB1 GLU 36 31.163 16.846 31.371 284 HG2 GLU 36 HG2 GLU 36 29.036 17.959 33.217 285 HG3 GLU 36 HG1 GLU 36 29.976 16.512 33.577 286 H ARG 37 HN ARG 37 28.601 17.434 28.891 287 HA ARG 37 HA ARG 37 30.657 16.873 27.053 288 HB2 ARG 37 HB2 ARG 37 28.436 15.802 26.969 289 HB3 ARG 37 HB1 ARG 37 27.720 17.340 26.487 290 HG2 ARG 37 HG2 ARG 37 29.020 17.377 24.443 291 HG3 ARG 37 HG1 ARG 37 29.928 15.951 24.946 292 HD2 ARG 37 HD2 ARG 37 28.203 15.280 23.361 293 HD3 ARG 37 HD1 ARG 37 27.806 14.647 24.955 294 HE ARG 37 HE ARG 37 26.572 17.183 24.562 295 HH11 ARG 37 HH11 ARG 37 24.341 17.210 24.132 296 HH12 ARG 37 HH12 ARG 37 23.551 15.765 23.593 297 HH21 ARG 37 HH21 ARG 37 26.439 13.850 23.639 298 HH22 ARG 37 HH22 ARG 37 24.739 13.863 23.313 299 H LYS 38 HN LYS 38 28.440 19.637 27.303 300 HA LYS 38 HA LYS 38 29.275 20.967 24.959 301 HB2 LYS 38 HB2 LYS 38 28.072 21.997 27.534 302 HB3 LYS 38 HB1 LYS 38 28.358 23.015 26.122 303 HG2 LYS 38 HG2 LYS 38 26.944 21.525 24.755 304 HG3 LYS 38 HG1 LYS 38 26.654 20.507 26.165 305 HD2 LYS 38 HD2 LYS 38 25.614 22.411 27.336 306 HD3 LYS 38 HD1 LYS 38 25.904 23.436 25.930 307 HE2 LYS 38 HE2 LYS 38 24.490 21.960 24.552 308 HE3 LYS 38 HE1 LYS 38 24.202 20.927 25.951 309 HZ1 LYS 38 HZ1 LYS 38 23.449 23.789 25.702 310 HZ2 LYS 38 HZ2 LYS 38 23.221 22.837 27.090 311 HZ3 LYS 38 HZ3 LYS 38 22.386 22.468 25.657 312 H ALA 39 HN ALA 39 30.463 21.073 28.290 313 HA ALA 39 HA ALA 39 32.265 23.216 27.994 314 HB1 ALA 39 HB1 ALA 39 33.312 22.401 30.016 315 HB2 ALA 39 HB2 ALA 39 32.581 20.811 29.801 316 HB3 ALA 39 HB3 ALA 39 31.566 22.204 30.171 317 H LEU 40 HN LEU 40 32.631 19.740 27.428 318 HA LEU 40 HA LEU 40 35.411 19.741 26.928 319 HB2 LEU 40 HB2 LEU 40 33.200 17.922 25.958 320 HB3 LEU 40 HB1 LEU 40 34.907 17.611 25.666 321 HG LEU 40 HG LEU 40 33.707 18.005 28.425 322 HD11 LEU 40 HD11 LEU 40 34.479 15.416 27.050 323 HD12 LEU 40 HD12 LEU 40 32.823 15.984 27.246 324 HD13 LEU 40 HD13 LEU 40 33.791 15.585 28.664 325 HD21 LEU 40 HD21 LEU 40 36.454 17.353 27.369 326 HD22 LEU 40 HD22 LEU 40 35.953 16.654 28.908 327 HD23 LEU 40 HD23 LEU 40 35.990 18.402 28.709 328 H GLU 41 HN GLU 41 32.619 20.253 24.823 329 HA GLU 41 HA GLU 41 34.004 20.281 22.364 330 HB2 GLU 41 HB2 GLU 41 31.432 21.602 23.244 331 HB3 GLU 41 HB1 GLU 41 32.020 21.643 21.583 332 HG2 GLU 41 HG2 GLU 41 31.970 19.225 21.440 333 HG3 GLU 41 HG1 GLU 41 31.568 19.092 23.150 334 H ASP 42 HN ASP 42 33.298 22.828 24.718 335 HA ASP 42 HA ASP 42 34.443 24.910 23.089 336 HB2 ASP 42 HB2 ASP 42 32.630 25.163 24.903 337 HB3 ASP 42 HB1 ASP 42 33.953 25.075 26.063 338 H LYS 43 HN LYS 43 36.018 26.357 24.873 339 HA LYS 43 HA LYS 43 38.219 26.565 25.495 340 HB2 LYS 43 HB2 LYS 43 37.697 23.771 26.540 341 HB3 LYS 43 HB1 LYS 43 39.087 24.770 26.968 342 HG2 LYS 43 HG2 LYS 43 37.570 26.502 27.862 343 HG3 LYS 43 HG1 LYS 43 36.182 25.495 27.447 344 HD2 LYS 43 HD2 LYS 43 37.047 23.713 28.940 345 HD3 LYS 43 HD1 LYS 43 38.397 24.759 29.385 346 HE2 LYS 43 HE2 LYS 43 35.467 25.432 29.798 347 HE3 LYS 43 HE1 LYS 43 36.562 24.855 31.057 348 HZ1 LYS 43 HZ1 LYS 43 37.092 27.282 29.440 349 HZ2 LYS 43 HZ2 LYS 43 37.884 26.783 30.857 350 HZ3 LYS 43 HZ3 LYS 43 36.274 27.324 30.927 351 H LEU 44 HN LEU 44 37.774 25.761 22.822 352 HA LEU 44 HA LEU 44 40.318 24.394 22.282 353 HB2 LEU 44 HB2 LEU 44 38.615 22.625 22.186 354 HB3 LEU 44 HB1 LEU 44 37.666 23.587 21.055 355 HG LEU 44 HG LEU 44 39.524 23.496 19.419 356 HD11 LEU 44 HD11 LEU 44 41.520 23.299 20.634 357 HD12 LEU 44 HD12 LEU 44 41.313 21.660 20.026 358 HD13 LEU 44 HD13 LEU 44 40.873 22.043 21.691 359 HD21 LEU 44 HD21 LEU 44 37.864 21.788 19.188 360 HD22 LEU 44 HD22 LEU 44 38.512 20.879 20.554 361 HD23 LEU 44 HD23 LEU 44 39.423 20.972 19.046 362 H ALA 45 HN ALA 45 37.500 26.096 20.948 363 HA ALA 45 HA ALA 45 38.667 26.863 18.502 364 HB1 ALA 45 HB1 ALA 45 36.504 28.191 20.147 365 HB2 ALA 45 HB2 ALA 45 36.276 27.035 18.835 366 HB3 ALA 45 HB3 ALA 45 36.916 28.643 18.493 367 H ASP 46 HN ASP 46 38.646 28.406 21.686 368 HA ASP 46 HA ASP 46 40.153 30.706 20.726 369 HB2 ASP 46 HB2 ASP 46 38.431 30.982 22.469 370 HB3 ASP 46 HB1 ASP 46 39.343 29.911 23.532 371 H LYS 47 HN LYS 47 42.230 30.297 20.230 372 HA LYS 47 HA LYS 47 43.812 28.318 21.574 373 HB2 LYS 47 HB2 LYS 47 44.554 30.528 19.645 374 HB3 LYS 47 HB1 LYS 47 45.677 29.297 20.225 375 HG2 LYS 47 HG2 LYS 47 44.218 27.529 19.310 376 HG3 LYS 47 HG1 LYS 47 43.098 28.760 18.722 377 HD2 LYS 47 HD2 LYS 47 44.901 29.716 17.319 378 HD3 LYS 47 HD1 LYS 47 45.997 28.455 17.883 379 HE2 LYS 47 HE2 LYS 47 43.391 27.958 16.414 380 HE3 LYS 47 HE1 LYS 47 44.993 27.895 15.678 381 HZ1 LYS 47 HZ1 LYS 47 44.080 26.208 17.947 382 HZ2 LYS 47 HZ2 LYS 47 45.599 26.130 17.189 383 HZ3 LYS 47 HZ3 LYS 47 44.196 25.698 16.334 384 H GLN 48 HN GLN 48 45.428 28.583 23.076 385 HA GLN 48 HA GLN 48 45.257 30.970 24.732 386 HB2 GLN 48 HB2 GLN 48 46.777 28.370 25.017 387 HB3 GLN 48 HB1 GLN 48 46.865 29.688 26.187 388 HG2 GLN 48 HG2 GLN 48 44.499 29.545 26.633 389 HG3 GLN 48 HG1 GLN 48 44.271 28.390 25.320 390 HE21 GLN 48 HE21 GLN 48 43.720 27.999 28.247 391 HE22 GLN 48 HE22 GLN 48 44.658 26.662 28.707 392 H GLU 49 HN GLU 49 47.228 32.074 25.473 393 HA GLU 49 HA GLU 49 49.083 33.346 25.026 394 HB2 GLU 49 HB2 GLU 49 49.935 30.816 23.595 395 HB3 GLU 49 HB1 GLU 49 50.993 32.185 23.920 396 HG2 GLU 49 HG2 GLU 49 51.429 30.750 25.727 397 HG3 GLU 49 HG1 GLU 49 50.267 31.888 26.402 398 H HIS 50 HN HIS 50 47.157 34.255 23.543 399 HA HIS 50 HA HIS 50 47.375 34.057 20.742 400 HB2 HIS 50 HB2 HIS 50 46.322 36.258 22.526 401 HB3 HIS 50 HB1 HIS 50 46.186 36.285 20.770 402 HD2 HIS 50 HD2 HIS 50 44.312 34.816 23.771 403 HE1 HIS 50 HE1 HIS 50 42.864 32.783 20.367 404 HE2 HIS 50 HE2 HIS 50 42.479 33.208 22.841 405 H LEU 51 HN LEU 51 48.908 36.225 23.087 406 HA LEU 51 HA LEU 51 50.281 37.732 21.028 407 HB2 LEU 51 HB2 LEU 51 50.177 37.771 24.031 408 HB3 LEU 51 HB1 LEU 51 51.526 38.570 23.233 409 HG LEU 51 HG LEU 51 49.561 40.076 23.711 410 HD11 LEU 51 HD11 LEU 51 49.771 39.954 20.720 411 HD12 LEU 51 HD12 LEU 51 51.252 40.219 21.639 412 HD13 LEU 51 HD13 LEU 51 49.901 41.333 21.806 413 HD21 LEU 51 HD21 LEU 51 47.495 39.799 22.590 414 HD22 LEU 51 HD22 LEU 51 47.905 38.176 23.143 415 HD23 LEU 51 HD23 LEU 51 48.165 38.625 21.458 416 H ASP 52 HN ASP 52 52.854 38.032 21.994 417 HA ASP 52 HA ASP 52 54.168 35.760 20.969 418 HB2 ASP 52 HB2 ASP 52 55.152 38.072 22.647 419 HB3 ASP 52 HB1 ASP 52 56.220 36.834 21.986 420 H GLY 53 HN GLY 53 53.468 36.791 24.280 421 HA2 GLY 53 HA2 GLY 53 53.236 35.462 26.177 422 HA3 GLY 53 HA1 GLY 53 53.747 34.067 25.232 423 H ALA 54 HN ALA 54 55.915 36.482 24.628 424 HA ALA 54 HA ALA 54 58.065 35.218 25.933 425 HB1 ALA 54 HB1 ALA 54 59.401 37.040 25.181 426 HB2 ALA 54 HB2 ALA 54 58.008 38.119 25.098 427 HB3 ALA 54 HB3 ALA 54 58.169 36.798 23.942 428 H LEU 55 HN LEU 55 56.064 37.991 26.841 429 HA LEU 55 HA LEU 55 57.538 38.815 29.089 430 HB2 LEU 55 HB2 LEU 55 55.771 40.190 28.087 431 HB3 LEU 55 HB1 LEU 55 54.559 39.004 28.569 432 HG LEU 55 HG LEU 55 55.115 39.400 30.949 433 HD11 LEU 55 HD11 LEU 55 56.540 41.583 31.304 434 HD12 LEU 55 HD12 LEU 55 57.195 41.197 29.712 435 HD13 LEU 55 HD13 LEU 55 57.365 40.049 31.041 436 HD21 LEU 55 HD21 LEU 55 54.063 41.558 31.120 437 HD22 LEU 55 HD22 LEU 55 53.399 40.775 29.686 438 HD23 LEU 55 HD23 LEU 55 54.632 42.025 29.516 439 H ARG 56 HN ARG 56 54.863 36.500 28.765 440 HA ARG 56 HA ARG 56 54.650 35.888 31.527 441 HB2 ARG 56 HB2 ARG 56 52.883 35.363 29.879 442 HB3 ARG 56 HB1 ARG 56 53.944 34.164 29.140 443 HG2 ARG 56 HG2 ARG 56 54.001 32.868 31.193 444 HG3 ARG 56 HG1 ARG 56 53.086 34.111 32.046 445 HD2 ARG 56 HD2 ARG 56 52.054 32.596 29.633 446 HD3 ARG 56 HD1 ARG 56 51.682 32.169 31.302 447 HE ARG 56 HE ARG 56 51.030 34.869 30.973 448 HH11 ARG 56 HH11 ARG 56 48.879 35.472 30.562 449 HH12 ARG 56 HH12 ARG 56 47.774 34.318 29.893 450 HH21 ARG 56 HH21 ARG 56 50.117 31.765 29.747 451 HH22 ARG 56 HH22 ARG 56 48.476 32.219 29.431 452 H TYR 57 HN TYR 57 55.814 34.580 32.806 453 HA TYR 57 HA TYR 57 57.562 33.261 33.507 454 HB2 TYR 57 HB2 TYR 57 56.171 31.489 32.602 455 HB3 TYR 57 HB1 TYR 57 56.780 31.796 30.975 456 HD1 TYR 57 HD1 TYR 57 57.827 30.761 34.406 457 HD2 TYR 57 HD2 TYR 57 58.795 30.796 30.220 458 HE1 TYR 57 HE1 TYR 57 59.730 29.230 34.832 459 HE2 TYR 57 HE2 TYR 57 60.698 29.265 30.647 460 HH TYR 57 HH TYR 57 62.182 28.832 33.147 Start of MODEL 15 1 H1 GLY 1 HT1 GLY 1 6.138 -4.762 41.538 2 H2 GLY 1 HT2 GLY 1 5.440 -3.574 40.543 3 H3 GLY 1 HT3 GLY 1 6.530 -4.700 39.889 4 HA2 GLY 1 HA2 GLY 1 4.020 -5.587 41.161 5 HA3 GLY 1 HA1 GLY 1 4.052 -5.071 39.474 6 H SER 2 HN SER 2 7.066 -6.203 40.124 7 HA SER 2 HA SER 2 6.831 -8.494 38.497 8 HB2 SER 2 HB2 SER 2 8.981 -7.679 40.461 9 HB3 SER 2 HB1 SER 2 9.130 -9.027 39.337 10 HG SER 2 HG SER 2 9.249 -7.660 37.694 11 H ALA 3 HN ALA 3 6.882 -8.087 42.014 12 HA ALA 3 HA ALA 3 6.994 -10.811 42.723 13 HB1 ALA 3 HB1 ALA 3 5.930 -8.351 44.098 14 HB2 ALA 3 HB2 ALA 3 7.391 -9.269 44.462 15 HB3 ALA 3 HB3 ALA 3 5.808 -9.941 44.850 16 H GLY 4 HN GLY 4 4.265 -8.667 42.028 17 HA2 GLY 4 HA2 GLY 4 2.165 -9.226 41.200 18 HA3 GLY 4 HA1 GLY 4 2.599 -10.930 41.323 19 H LEU 5 HN LEU 5 3.410 -9.626 44.230 20 HA LEU 5 HA LEU 5 0.721 -9.808 45.418 21 HB2 LEU 5 HB2 LEU 5 1.651 -12.080 45.552 22 HB3 LEU 5 HB1 LEU 5 3.104 -11.449 46.323 23 HG LEU 5 HG LEU 5 1.747 -10.643 48.229 24 HD11 LEU 5 HD11 LEU 5 -0.501 -11.665 46.502 25 HD12 LEU 5 HD12 LEU 5 -0.396 -10.160 47.414 26 HD13 LEU 5 HD13 LEU 5 -0.675 -11.678 48.258 27 HD21 LEU 5 HD21 LEU 5 1.493 -13.545 47.422 28 HD22 LEU 5 HD22 LEU 5 0.968 -12.964 49.001 29 HD23 LEU 5 HD23 LEU 5 2.659 -12.821 48.529 30 H GLN 6 HN GLN 6 0.418 -8.165 46.750 31 HA GLN 6 HA GLN 6 2.424 -6.279 47.376 32 HB2 GLN 6 HB2 GLN 6 -0.005 -5.770 47.286 33 HB3 GLN 6 HB1 GLN 6 -0.234 -6.705 48.764 34 HG2 GLN 6 HG2 GLN 6 1.265 -5.205 49.983 35 HG3 GLN 6 HG1 GLN 6 1.597 -4.302 48.506 36 HE21 GLN 6 HE21 GLN 6 0.612 -2.703 50.429 37 HE22 GLN 6 HE22 GLN 6 -1.038 -2.372 50.209 38 H GLU 7 HN GLU 7 1.035 -8.961 49.221 39 HA GLU 7 HA GLU 7 2.251 -8.370 51.697 40 HB2 GLU 7 HB2 GLU 7 1.274 -10.965 50.504 41 HB3 GLU 7 HB1 GLU 7 1.922 -10.853 52.139 42 HG2 GLU 7 HG2 GLU 7 0.206 -9.278 52.785 43 HG3 GLU 7 HG1 GLU 7 -0.372 -9.146 51.127 44 H LYS 8 HN LYS 8 3.393 -10.269 48.924 45 HA LYS 8 HA LYS 8 5.689 -11.345 50.149 46 HB2 LYS 8 HB2 LYS 8 4.824 -12.128 47.973 47 HB3 LYS 8 HB1 LYS 8 5.299 -10.596 47.239 48 HG2 LYS 8 HG2 LYS 8 7.650 -11.031 47.805 49 HG3 LYS 8 HG1 LYS 8 7.193 -12.537 48.600 50 HD2 LYS 8 HD2 LYS 8 6.325 -13.406 46.462 51 HD3 LYS 8 HD1 LYS 8 6.778 -11.900 45.665 52 HE2 LYS 8 HE2 LYS 8 9.140 -12.294 46.247 53 HE3 LYS 8 HE1 LYS 8 8.694 -13.794 47.058 54 HZ1 LYS 8 HZ1 LYS 8 9.379 -13.562 44.449 55 HZ2 LYS 8 HZ2 LYS 8 7.682 -13.600 44.377 56 HZ3 LYS 8 HZ3 LYS 8 8.531 -14.866 45.128 57 H GLU 9 HN GLU 9 5.177 -8.299 48.400 58 HA GLU 9 HA GLU 9 7.926 -7.480 48.693 59 HB2 GLU 9 HB2 GLU 9 5.431 -6.039 47.773 60 HB3 GLU 9 HB1 GLU 9 7.009 -5.258 47.867 61 HG2 GLU 9 HG2 GLU 9 7.957 -6.838 46.299 62 HG3 GLU 9 HG1 GLU 9 6.482 -7.803 46.312 63 H ARG 10 HN ARG 10 7.917 -4.890 49.543 64 HA ARG 10 HA ARG 10 6.682 -4.915 52.238 65 HB2 ARG 10 HB2 ARG 10 9.540 -4.206 51.528 66 HB3 ARG 10 HB1 ARG 10 8.792 -3.894 53.096 67 HG2 ARG 10 HG2 ARG 10 8.256 -6.366 53.220 68 HG3 ARG 10 HG1 ARG 10 9.264 -6.586 51.789 69 HD2 ARG 10 HD2 ARG 10 10.191 -5.335 54.390 70 HD3 ARG 10 HD1 ARG 10 10.524 -6.992 53.894 71 HE ARG 10 HE ARG 10 11.746 -4.570 52.814 72 HH11 ARG 10 HH11 ARG 10 13.501 -4.939 51.424 73 HH12 ARG 10 HH12 ARG 10 13.810 -6.536 50.829 74 HH21 ARG 10 HH21 ARG 10 11.126 -7.963 52.497 75 HH22 ARG 10 HH22 ARG 10 12.466 -8.246 51.436 76 H GLU 11 HN GLU 11 6.168 -2.889 53.082 77 HA GLU 11 HA GLU 11 5.380 -0.919 51.206 78 HB2 GLU 11 HB2 GLU 11 5.607 -0.846 54.218 79 HB3 GLU 11 HB1 GLU 11 4.975 0.497 53.268 80 HG2 GLU 11 HG2 GLU 11 3.865 -2.322 53.110 81 HG3 GLU 11 HG1 GLU 11 3.207 -1.073 54.163 82 H LEU 12 HN LEU 12 8.160 -1.181 53.374 83 HA LEU 12 HA LEU 12 9.197 1.412 52.965 84 HB2 LEU 12 HB2 LEU 12 10.548 -1.198 53.679 85 HB3 LEU 12 HB1 LEU 12 11.382 0.354 53.668 86 HG LEU 12 HG LEU 12 8.882 -0.211 55.294 87 HD11 LEU 12 HD11 LEU 12 11.777 -0.150 56.202 88 HD12 LEU 12 HD12 LEU 12 10.813 -1.613 56.002 89 HD13 LEU 12 HD13 LEU 12 10.367 -0.424 57.225 90 HD21 LEU 12 HD21 LEU 12 8.984 2.118 55.145 91 HD22 LEU 12 HD22 LEU 12 10.738 2.144 54.987 92 HD23 LEU 12 HD23 LEU 12 9.998 1.854 56.558 93 H GLU 13 HN GLU 13 9.651 -1.630 51.219 94 HA GLU 13 HA GLU 13 11.702 -0.773 49.485 95 HB2 GLU 13 HB2 GLU 13 11.052 -3.141 49.776 96 HB3 GLU 13 HB1 GLU 13 9.523 -2.810 48.965 97 HG2 GLU 13 HG2 GLU 13 10.715 -2.158 46.924 98 HG3 GLU 13 HG1 GLU 13 12.263 -2.399 47.732 99 H ASP 14 HN ASP 14 8.168 -0.649 49.210 100 HA ASP 14 HA ASP 14 8.033 0.337 46.575 101 HB2 ASP 14 HB2 ASP 14 6.164 0.605 48.931 102 HB3 ASP 14 HB1 ASP 14 5.775 1.221 47.325 103 H LEU 15 HN LEU 15 8.337 1.977 49.694 104 HA LEU 15 HA LEU 15 7.990 4.615 48.783 105 HB2 LEU 15 HB2 LEU 15 7.955 4.020 51.161 106 HB3 LEU 15 HB1 LEU 15 9.659 3.580 51.090 107 HG LEU 15 HG LEU 15 10.239 5.912 50.495 108 HD11 LEU 15 HD11 LEU 15 8.257 7.589 50.937 109 HD12 LEU 15 HD12 LEU 15 7.237 6.208 50.535 110 HD13 LEU 15 HD13 LEU 15 8.400 6.820 49.358 111 HD21 LEU 15 HD21 LEU 15 10.268 5.337 52.844 112 HD22 LEU 15 HD22 LEU 15 8.520 5.534 52.964 113 HD23 LEU 15 HD23 LEU 15 9.550 6.940 52.696 114 H LYS 16 HN LYS 16 10.908 2.618 49.120 115 HA LYS 16 HA LYS 16 12.782 4.569 48.343 116 HB2 LYS 16 HB2 LYS 16 13.407 2.426 49.394 117 HB3 LYS 16 HB1 LYS 16 12.897 1.567 47.940 118 HG2 LYS 16 HG2 LYS 16 14.589 2.762 46.616 119 HG3 LYS 16 HG1 LYS 16 15.079 3.674 48.044 120 HD2 LYS 16 HD2 LYS 16 15.757 1.601 49.164 121 HD3 LYS 16 HD1 LYS 16 15.213 0.656 47.777 122 HE2 LYS 16 HE2 LYS 16 17.640 0.987 47.661 123 HE3 LYS 16 HE1 LYS 16 16.850 1.853 46.344 124 HZ1 LYS 16 HZ1 LYS 16 18.625 3.000 47.892 125 HZ2 LYS 16 HZ2 LYS 16 17.256 3.286 48.856 126 HZ3 LYS 16 HZ3 LYS 16 17.309 3.861 47.257 127 H ASP 17 HN ASP 17 10.953 2.188 46.447 128 HA ASP 17 HA ASP 17 12.118 2.744 43.943 129 HB2 ASP 17 HB2 ASP 17 9.402 1.675 44.716 130 HB3 ASP 17 HB1 ASP 17 9.937 1.808 43.042 131 H ALA 18 HN ALA 18 9.372 4.187 45.641 132 HA ALA 18 HA ALA 18 8.426 5.814 43.547 133 HB1 ALA 18 HB1 ALA 18 8.349 6.492 46.491 134 HB2 ALA 18 HB2 ALA 18 7.255 5.337 45.733 135 HB3 ALA 18 HB3 ALA 18 7.233 7.029 45.235 136 H GLU 19 HN GLU 19 10.911 6.353 46.008 137 HA GLU 19 HA GLU 19 11.387 9.081 45.464 138 HB2 GLU 19 HB2 GLU 19 13.194 6.924 46.573 139 HB3 GLU 19 HB1 GLU 19 13.626 8.633 46.519 140 HG2 GLU 19 HG2 GLU 19 11.119 7.584 47.855 141 HG3 GLU 19 HG1 GLU 19 12.628 7.880 48.714 142 H LEU 20 HN LEU 20 12.743 6.117 44.081 143 HA LEU 20 HA LEU 20 14.747 7.338 42.505 144 HB2 LEU 20 HB2 LEU 20 13.224 4.749 42.158 145 HB3 LEU 20 HB1 LEU 20 14.581 5.219 41.138 146 HG LEU 20 HG LEU 20 14.727 5.004 44.161 147 HD11 LEU 20 HD11 LEU 20 15.810 2.863 43.845 148 HD12 LEU 20 HD12 LEU 20 15.760 3.047 42.090 149 HD13 LEU 20 HD13 LEU 20 14.264 2.821 42.997 150 HD21 LEU 20 HD21 LEU 20 16.533 6.365 43.583 151 HD22 LEU 20 HD22 LEU 20 16.695 5.659 41.976 152 HD23 LEU 20 HD23 LEU 20 17.272 4.779 43.389 153 H LYS 21 HN LYS 21 11.343 6.614 41.883 154 HA LYS 21 HA LYS 21 11.295 7.251 39.143 155 HB2 LYS 21 HB2 LYS 21 9.451 6.095 40.306 156 HB3 LYS 21 HB1 LYS 21 9.093 7.574 41.198 157 HG2 LYS 21 HG2 LYS 21 8.607 8.750 39.090 158 HG3 LYS 21 HG1 LYS 21 9.005 7.293 38.178 159 HD2 LYS 21 HD2 LYS 21 7.176 6.082 39.305 160 HD3 LYS 21 HD1 LYS 21 6.780 7.536 40.224 161 HE2 LYS 21 HE2 LYS 21 6.302 8.742 38.128 162 HE3 LYS 21 HE1 LYS 21 6.709 7.296 37.201 163 HZ1 LYS 21 HZ1 LYS 21 4.932 6.272 38.848 164 HZ2 LYS 21 HZ2 LYS 21 4.490 6.990 37.373 165 HZ3 LYS 21 HZ3 LYS 21 4.353 7.866 38.823 166 H ARG 22 HN ARG 22 10.780 9.265 42.024 167 HA ARG 22 HA ARG 22 10.108 11.652 40.695 168 HB2 ARG 22 HB2 ARG 22 9.801 11.316 43.119 169 HB3 ARG 22 HB1 ARG 22 11.552 11.306 43.335 170 HG2 ARG 22 HG2 ARG 22 11.719 13.595 42.541 171 HG3 ARG 22 HG1 ARG 22 10.005 13.617 42.127 172 HD2 ARG 22 HD2 ARG 22 11.066 13.177 44.930 173 HD3 ARG 22 HD1 ARG 22 10.529 14.736 44.314 174 HE ARG 22 HE ARG 22 8.457 12.910 43.869 175 HH11 ARG 22 HH11 ARG 22 6.716 12.801 45.324 176 HH12 ARG 22 HH12 ARG 22 6.912 13.384 46.944 177 HH21 ARG 22 HH21 ARG 22 10.218 14.327 46.489 178 HH22 ARG 22 HH22 ARG 22 8.893 14.248 47.605 179 H LEU 23 HN LEU 23 13.250 10.361 41.730 180 HA LEU 23 HA LEU 23 14.812 12.578 40.941 181 HB2 LEU 23 HB2 LEU 23 15.486 9.643 41.212 182 HB3 LEU 23 HB1 LEU 23 16.689 10.887 40.889 183 HG LEU 23 HG LEU 23 14.813 10.928 43.273 184 HD11 LEU 23 HD11 LEU 23 16.958 10.313 44.525 185 HD12 LEU 23 HD12 LEU 23 17.630 9.874 42.956 186 HD13 LEU 23 HD13 LEU 23 16.218 9.024 43.578 187 HD21 LEU 23 HD21 LEU 23 17.075 12.673 42.310 188 HD22 LEU 23 HD22 LEU 23 16.838 12.479 44.046 189 HD23 LEU 23 HD23 LEU 23 15.544 13.135 43.051 190 H ASN 24 HN ASN 24 13.741 9.688 39.212 191 HA ASN 24 HA ASN 24 15.267 10.042 36.871 192 HB2 ASN 24 HB2 ASN 24 13.955 7.987 37.512 193 HB3 ASN 24 HB1 ASN 24 12.495 8.848 37.024 194 HD21 ASN 24 HD21 ASN 24 12.043 7.531 35.158 195 HD22 ASN 24 HD22 ASN 24 13.058 7.510 33.797 196 H GLU 25 HN GLU 25 12.079 11.273 37.806 197 HA GLU 25 HA GLU 25 11.391 12.445 35.335 198 HB2 GLU 25 HB2 GLU 25 9.784 12.088 37.181 199 HB3 GLU 25 HB1 GLU 25 10.608 13.329 38.124 200 HG2 GLU 25 HG2 GLU 25 10.087 15.011 36.418 201 HG3 GLU 25 HG1 GLU 25 9.329 13.779 35.410 202 H GLU 26 HN GLU 26 13.162 13.703 38.134 203 HA GLU 26 HA GLU 26 13.409 16.370 37.253 204 HB2 GLU 26 HB2 GLU 26 15.131 14.682 39.075 205 HB3 GLU 26 HB1 GLU 26 15.413 16.401 38.799 206 HG2 GLU 26 HG2 GLU 26 13.213 16.959 39.647 207 HG3 GLU 26 HG1 GLU 26 12.782 15.254 39.768 208 H ARG 27 HN ARG 27 15.390 13.499 36.677 209 HA ARG 27 HA ARG 27 17.112 13.087 35.210 210 HB2 ARG 27 HB2 ARG 27 15.794 15.370 33.715 211 HB3 ARG 27 HB1 ARG 27 17.001 14.277 33.041 212 HG2 ARG 27 HG2 ARG 27 15.461 12.359 33.652 213 HG3 ARG 27 HG1 ARG 27 14.232 13.567 34.031 214 HD2 ARG 27 HD2 ARG 27 15.625 13.279 31.355 215 HD3 ARG 27 HD1 ARG 27 13.996 12.710 31.715 216 HE ARG 27 HE ARG 27 14.829 15.482 31.328 217 HH11 ARG 27 HH11 ARG 27 13.120 16.969 31.187 218 HH12 ARG 27 HH12 ARG 27 11.517 16.484 31.628 219 HH21 ARG 27 HH21 ARG 27 12.436 13.243 32.449 220 HH22 ARG 27 HH22 ARG 27 11.129 14.375 32.342 221 H HIS 28 HN HIS 28 17.503 15.005 37.416 222 HA HIS 28 HA HIS 28 19.032 17.230 36.628 223 HB2 HIS 28 HB2 HIS 28 18.174 16.993 38.898 224 HB3 HIS 28 HB1 HIS 28 19.194 15.579 39.161 225 HD2 HIS 28 HD2 HIS 28 21.708 16.210 40.135 226 HE1 HIS 28 HE1 HIS 28 21.701 20.318 39.160 227 HE2 HIS 28 HE2 HIS 28 23.007 18.467 40.311 228 H ASP 29 HN ASP 29 20.033 13.921 37.486 229 HA ASP 29 HA ASP 29 22.807 14.321 37.242 230 HB2 ASP 29 HB2 ASP 29 21.086 11.861 36.915 231 HB3 ASP 29 HB1 ASP 29 22.847 11.814 36.842 232 H HIS 30 HN HIS 30 20.360 13.405 34.848 233 HA HIS 30 HA HIS 30 22.142 12.839 32.726 234 HB2 HIS 30 HB2 HIS 30 19.257 13.731 32.775 235 HB3 HIS 30 HB1 HIS 30 20.113 13.348 31.282 236 HD2 HIS 30 HD2 HIS 30 20.398 10.610 30.771 237 HE1 HIS 30 HE1 HIS 30 18.812 9.224 34.430 238 HE2 HIS 30 HE2 HIS 30 19.634 8.517 32.134 239 H ASP 31 HN ASP 31 20.586 15.827 33.802 240 HA ASP 31 HA ASP 31 21.340 17.462 31.636 241 HB2 ASP 31 HB2 ASP 31 20.768 18.086 34.535 242 HB3 ASP 31 HB1 ASP 31 21.096 19.334 33.334 243 H LYS 32 HN LYS 32 23.004 16.614 34.642 244 HA LYS 32 HA LYS 32 25.166 18.404 34.418 245 HB2 LYS 32 HB2 LYS 32 24.654 17.134 36.472 246 HB3 LYS 32 HB1 LYS 32 25.118 15.641 35.660 247 HG2 LYS 32 HG2 LYS 32 27.404 16.503 35.342 248 HG3 LYS 32 HG1 LYS 32 26.943 18.021 36.113 249 HD2 LYS 32 HD2 LYS 32 26.415 16.809 38.193 250 HD3 LYS 32 HD1 LYS 32 26.868 15.288 37.424 251 HE2 LYS 32 HE2 LYS 32 29.158 16.133 37.082 252 HE3 LYS 32 HE1 LYS 32 28.709 17.662 37.840 253 HZ1 LYS 32 HZ1 LYS 32 28.584 14.999 39.150 254 HZ2 LYS 32 HZ2 LYS 32 28.213 16.489 39.876 255 HZ3 LYS 32 HZ3 LYS 32 29.806 16.150 39.393 256 H ARG 33 HN ARG 33 24.738 15.085 33.225 257 HA ARG 33 HA ARG 33 27.318 14.738 32.155 258 HB2 ARG 33 HB2 ARG 33 25.720 12.888 32.461 259 HB3 ARG 33 HB1 ARG 33 24.694 13.564 31.197 260 HG2 ARG 33 HG2 ARG 33 26.466 13.270 29.543 261 HG3 ARG 33 HG1 ARG 33 27.574 12.704 30.793 262 HD2 ARG 33 HD2 ARG 33 26.620 10.798 29.577 263 HD3 ARG 33 HD1 ARG 33 26.069 10.795 31.250 264 HE ARG 33 HE ARG 33 23.904 11.225 30.496 265 HH11 ARG 33 HH11 ARG 33 22.352 11.423 28.849 266 HH12 ARG 33 HH12 ARG 33 22.860 11.687 27.214 267 HH21 ARG 33 HH21 ARG 33 26.241 11.680 27.984 268 HH22 ARG 33 HH22 ARG 33 25.062 11.833 26.725 269 H GLU 34 HN GLU 34 24.336 16.009 30.699 270 HA GLU 34 HA GLU 34 25.354 16.398 28.097 271 HB2 GLU 34 HB2 GLU 34 22.944 16.456 28.654 272 HB3 GLU 34 HB1 GLU 34 23.195 17.965 29.533 273 HG2 GLU 34 HG2 GLU 34 23.961 19.062 27.479 274 HG3 GLU 34 HG1 GLU 34 23.795 17.551 26.589 275 H ALA 35 HN ALA 35 25.275 18.488 30.951 276 HA ALA 35 HA ALA 35 26.286 20.828 29.759 277 HB1 ALA 35 HB1 ALA 35 26.657 19.864 32.606 278 HB2 ALA 35 HB2 ALA 35 25.259 20.758 32.009 279 HB3 ALA 35 HB3 ALA 35 26.849 21.522 32.036 280 H GLU 36 HN GLU 36 27.899 18.022 31.176 281 HA GLU 36 HA GLU 36 30.525 19.017 31.198 282 HB2 GLU 36 HB2 GLU 36 29.829 16.934 32.331 283 HB3 GLU 36 HB1 GLU 36 29.608 16.164 30.760 284 HG2 GLU 36 HG2 GLU 36 31.982 16.485 30.238 285 HG3 GLU 36 HG1 GLU 36 32.220 17.332 31.765 286 H ARG 37 HN ARG 37 28.683 17.363 28.649 287 HA ARG 37 HA ARG 37 30.798 17.086 26.806 288 HB2 ARG 37 HB2 ARG 37 27.813 17.328 26.411 289 HB3 ARG 37 HB1 ARG 37 28.939 17.002 25.093 290 HG2 ARG 37 HG2 ARG 37 29.746 14.992 26.273 291 HG3 ARG 37 HG1 ARG 37 28.625 15.315 27.594 292 HD2 ARG 37 HD2 ARG 37 26.724 15.105 26.045 293 HD3 ARG 37 HD1 ARG 37 27.834 14.809 24.712 294 HE ARG 37 HE ARG 37 28.352 12.928 26.750 295 HH11 ARG 37 HH11 ARG 37 27.542 10.819 26.517 296 HH12 ARG 37 HH12 ARG 37 26.217 10.519 25.443 297 HH21 ARG 37 HH21 ARG 37 25.920 13.831 24.460 298 HH22 ARG 37 HH22 ARG 37 25.298 12.225 24.279 299 H LYS 38 HN LYS 38 28.519 19.730 27.398 300 HA LYS 38 HA LYS 38 29.225 21.327 25.180 301 HB2 LYS 38 HB2 LYS 38 28.111 22.040 27.897 302 HB3 LYS 38 HB1 LYS 38 28.327 23.217 26.602 303 HG2 LYS 38 HG2 LYS 38 26.884 21.864 25.125 304 HG3 LYS 38 HG1 LYS 38 26.662 20.689 26.424 305 HD2 LYS 38 HD2 LYS 38 25.638 22.430 27.836 306 HD3 LYS 38 HD1 LYS 38 25.867 23.613 26.548 307 HE2 LYS 38 HE2 LYS 38 24.423 22.284 25.058 308 HE3 LYS 38 HE1 LYS 38 24.196 21.093 26.336 309 HZ1 LYS 38 HZ1 LYS 38 23.302 22.935 27.725 310 HZ2 LYS 38 HZ2 LYS 38 22.347 22.553 26.373 311 HZ3 LYS 38 HZ3 LYS 38 23.340 23.931 26.353 312 H ALA 39 HN ALA 39 30.556 21.075 28.445 313 HA ALA 39 HA ALA 39 32.317 23.271 28.333 314 HB1 ALA 39 HB1 ALA 39 31.790 22.102 30.425 315 HB2 ALA 39 HB2 ALA 39 33.532 22.132 30.150 316 HB3 ALA 39 HB3 ALA 39 32.616 20.658 29.836 317 H LEU 40 HN LEU 40 32.667 19.909 27.310 318 HA LEU 40 HA LEU 40 35.415 19.946 26.724 319 HB2 LEU 40 HB2 LEU 40 34.107 17.873 26.850 320 HB3 LEU 40 HB1 LEU 40 33.197 18.348 25.419 321 HG LEU 40 HG LEU 40 35.281 18.320 24.081 322 HD11 LEU 40 HD11 LEU 40 37.052 18.822 25.533 323 HD12 LEU 40 HD12 LEU 40 37.255 17.086 25.314 324 HD13 LEU 40 HD13 LEU 40 36.486 17.705 26.776 325 HD21 LEU 40 HD21 LEU 40 34.813 15.789 25.689 326 HD22 LEU 40 HD22 LEU 40 35.616 15.873 24.121 327 HD23 LEU 40 HD23 LEU 40 33.905 16.278 24.258 328 H GLU 41 HN GLU 41 32.587 20.778 24.749 329 HA GLU 41 HA GLU 41 33.939 21.179 22.312 330 HB2 GLU 41 HB2 GLU 41 31.407 22.416 23.410 331 HB3 GLU 41 HB1 GLU 41 31.966 22.636 21.751 332 HG2 GLU 41 HG2 GLU 41 31.505 19.922 23.012 333 HG3 GLU 41 HG1 GLU 41 30.293 20.765 22.051 334 H ASP 42 HN ASP 42 33.302 23.371 25.029 335 HA ASP 42 HA ASP 42 34.000 25.538 25.426 336 HB2 ASP 42 HB2 ASP 42 36.053 24.020 25.674 337 HB3 ASP 42 HB1 ASP 42 36.558 24.629 24.100 338 H LYS 43 HN LYS 43 36.069 26.965 23.863 339 HA LYS 43 HA LYS 43 36.184 28.450 22.120 340 HB2 LYS 43 HB2 LYS 43 34.523 26.448 20.580 341 HB3 LYS 43 HB1 LYS 43 35.617 27.661 19.927 342 HG2 LYS 43 HG2 LYS 43 36.452 25.316 21.660 343 HG3 LYS 43 HG1 LYS 43 36.637 25.400 19.910 344 HD2 LYS 43 HD2 LYS 43 38.004 27.525 20.288 345 HD3 LYS 43 HD1 LYS 43 38.013 27.102 22.001 346 HE2 LYS 43 HE2 LYS 43 38.989 25.287 19.782 347 HE3 LYS 43 HE1 LYS 43 40.031 26.262 20.818 348 HZ1 LYS 43 HZ1 LYS 43 38.734 25.071 22.701 349 HZ2 LYS 43 HZ2 LYS 43 40.012 24.270 21.919 350 HZ3 LYS 43 HZ3 LYS 43 38.404 23.915 21.504 351 H LEU 44 HN LEU 44 34.300 29.065 23.968 352 HA LEU 44 HA LEU 44 32.467 30.410 24.310 353 HB2 LEU 44 HB2 LEU 44 32.524 30.875 21.324 354 HB3 LEU 44 HB1 LEU 44 31.856 31.931 22.566 355 HG LEU 44 HG LEU 44 34.785 31.183 22.318 356 HD11 LEU 44 HD11 LEU 44 33.807 32.673 20.507 357 HD12 LEU 44 HD12 LEU 44 35.125 33.386 21.437 358 HD13 LEU 44 HD13 LEU 44 33.458 33.849 21.775 359 HD21 LEU 44 HD21 LEU 44 33.202 32.918 24.223 360 HD22 LEU 44 HD22 LEU 44 34.914 33.223 23.933 361 HD23 LEU 44 HD23 LEU 44 34.397 31.678 24.600 362 H ALA 45 HN ALA 45 32.344 27.569 22.761 363 HA ALA 45 HA ALA 45 29.802 27.481 21.549 364 HB1 ALA 45 HB1 ALA 45 29.928 25.060 21.855 365 HB2 ALA 45 HB2 ALA 45 31.240 25.256 23.018 366 HB3 ALA 45 HB3 ALA 45 31.489 25.684 21.325 367 H ASP 46 HN ASP 46 30.835 27.064 24.896 368 HA ASP 46 HA ASP 46 28.405 26.162 25.983 369 HB2 ASP 46 HB2 ASP 46 30.688 27.736 27.176 370 HB3 ASP 46 HB1 ASP 46 29.321 27.158 28.128 371 H LYS 47 HN LYS 47 29.618 29.441 25.389 372 HA LYS 47 HA LYS 47 28.578 31.496 25.472 373 HB2 LYS 47 HB2 LYS 47 26.061 29.845 25.111 374 HB3 LYS 47 HB1 LYS 47 26.222 31.571 24.810 375 HG2 LYS 47 HG2 LYS 47 27.870 29.484 23.359 376 HG3 LYS 47 HG1 LYS 47 26.336 30.094 22.746 377 HD2 LYS 47 HD2 LYS 47 27.300 32.422 22.864 378 HD3 LYS 47 HD1 LYS 47 28.859 31.700 23.255 379 HE2 LYS 47 HE2 LYS 47 28.804 30.412 21.158 380 HE3 LYS 47 HE1 LYS 47 27.247 31.137 20.755 381 HZ1 LYS 47 HZ1 LYS 47 28.481 32.683 19.747 382 HZ2 LYS 47 HZ2 LYS 47 29.899 32.254 20.580 383 HZ3 LYS 47 HZ3 LYS 47 28.765 33.291 21.305 384 H GLN 48 HN GLN 48 29.113 30.168 27.931 385 HA GLN 48 HA GLN 48 26.812 30.805 29.654 386 HB2 GLN 48 HB2 GLN 48 28.098 29.688 31.416 387 HB3 GLN 48 HB1 GLN 48 27.958 28.649 29.998 388 HG2 GLN 48 HG2 GLN 48 30.212 29.428 29.256 389 HG3 GLN 48 HG1 GLN 48 30.354 30.350 30.752 390 HE21 GLN 48 HE21 GLN 48 31.315 27.477 29.417 391 HE22 GLN 48 HE22 GLN 48 31.432 26.536 30.825 392 H GLU 49 HN GLU 49 29.271 32.468 28.312 393 HA GLU 49 HA GLU 49 30.511 33.814 30.450 394 HB2 GLU 49 HB2 GLU 49 29.984 34.664 27.598 395 HB3 GLU 49 HB1 GLU 49 30.983 35.583 28.723 396 HG2 GLU 49 HG2 GLU 49 31.467 32.667 28.058 397 HG3 GLU 49 HG1 GLU 49 32.271 33.999 27.230 398 H HIS 50 HN HIS 50 27.516 34.532 28.678 399 HA HIS 50 HA HIS 50 27.082 37.082 29.821 400 HB2 HIS 50 HB2 HIS 50 24.761 36.816 29.049 401 HB3 HIS 50 HB1 HIS 50 25.916 36.349 27.803 402 HD2 HIS 50 HD2 HIS 50 25.739 33.683 26.987 403 HE1 HIS 50 HE1 HIS 50 22.855 32.455 29.813 404 HE2 HIS 50 HE2 HIS 50 24.157 31.751 27.751 405 H LEU 51 HN LEU 51 26.633 33.892 31.091 406 HA LEU 51 HA LEU 51 25.597 33.113 33.020 407 HB2 LEU 51 HB2 LEU 51 26.803 35.727 33.953 408 HB3 LEU 51 HB1 LEU 51 26.224 34.461 35.030 409 HG LEU 51 HG LEU 51 28.364 34.041 32.919 410 HD11 LEU 51 HD11 LEU 51 29.880 33.971 34.975 411 HD12 LEU 51 HD12 LEU 51 28.547 34.709 35.865 412 HD13 LEU 51 HD13 LEU 51 29.286 35.566 34.512 413 HD21 LEU 51 HD21 LEU 51 28.812 32.052 34.592 414 HD22 LEU 51 HD22 LEU 51 27.504 31.905 33.425 415 HD23 LEU 51 HD23 LEU 51 27.146 32.334 35.097 416 H ASP 52 HN ASP 52 24.040 35.129 31.270 417 HA ASP 52 HA ASP 52 22.397 36.696 32.933 418 HB2 ASP 52 HB2 ASP 52 21.931 35.487 30.207 419 HB3 ASP 52 HB1 ASP 52 20.772 36.558 30.991 420 H GLY 53 HN GLY 53 22.081 33.349 31.810 421 HA2 GLY 53 HA2 GLY 53 20.770 32.343 34.011 422 HA3 GLY 53 HA1 GLY 53 19.488 32.952 32.964 423 H ALA 54 HN ALA 54 19.053 30.468 33.158 424 HA ALA 54 HA ALA 54 18.943 28.430 32.114 425 HB1 ALA 54 HB1 ALA 54 19.065 28.421 29.747 426 HB2 ALA 54 HB2 ALA 54 20.197 29.773 29.722 427 HB3 ALA 54 HB3 ALA 54 18.512 30.040 30.173 428 H LEU 55 HN LEU 55 21.234 28.905 33.699 429 HA LEU 55 HA LEU 55 23.663 28.222 32.430 430 HB2 LEU 55 HB2 LEU 55 22.711 27.842 35.276 431 HB3 LEU 55 HB1 LEU 55 24.360 27.511 34.751 432 HG LEU 55 HG LEU 55 22.973 30.186 34.393 433 HD11 LEU 55 HD11 LEU 55 24.903 29.241 36.534 434 HD12 LEU 55 HD12 LEU 55 23.224 29.723 36.770 435 HD13 LEU 55 HD13 LEU 55 24.424 30.921 36.289 436 HD21 LEU 55 HD21 LEU 55 25.730 29.118 33.803 437 HD22 LEU 55 HD22 LEU 55 25.564 30.805 34.285 438 HD23 LEU 55 HD23 LEU 55 24.730 30.216 32.853 439 H ARG 56 HN ARG 56 21.101 26.265 33.880 440 HA ARG 56 HA ARG 56 22.496 23.785 33.089 441 HB2 ARG 56 HB2 ARG 56 21.652 23.921 35.402 442 HB3 ARG 56 HB1 ARG 56 20.021 24.194 34.787 443 HG2 ARG 56 HG2 ARG 56 20.002 22.013 33.717 444 HG3 ARG 56 HG1 ARG 56 21.693 21.747 34.144 445 HD2 ARG 56 HD2 ARG 56 20.250 20.558 35.719 446 HD3 ARG 56 HD1 ARG 56 21.082 21.871 36.547 447 HE ARG 56 HE ARG 56 18.548 22.742 35.570 448 HH11 ARG 56 HH11 ARG 56 16.889 23.033 37.096 449 HH12 ARG 56 HH12 ARG 56 17.019 22.297 38.659 450 HH21 ARG 56 HH21 ARG 56 20.095 20.833 38.007 451 HH22 ARG 56 HH22 ARG 56 18.834 21.051 39.175 452 H TYR 57 HN TYR 57 21.916 22.742 31.301 453 HA TYR 57 HA TYR 57 19.239 22.440 30.418 454 HB2 TYR 57 HB2 TYR 57 19.414 24.766 29.741 455 HB3 TYR 57 HB1 TYR 57 20.927 24.440 28.896 456 HD1 TYR 57 HD1 TYR 57 17.303 23.550 28.970 457 HD2 TYR 57 HD2 TYR 57 20.927 23.639 26.663 458 HE1 TYR 57 HE1 TYR 57 16.028 22.908 26.941 459 HE2 TYR 57 HE2 TYR 57 19.651 22.997 24.636 460 HH TYR 57 HH TYR 57 17.415 21.730 24.196
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