REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3kwc_1_B DATA FIRST_RESID 4 DATA SEQUENCE QSYAAPPTPW SRDLAEPEIA PTAYVHSFSN LIGDVRIKDY VHIAPGTSIR DATA SEQUENCE ADEGTPFHIG SRTNIQDGVV IHGLQQGRVI GDDGQEYSVW IGDNVSITHM DATA SEQUENCE ALIHGPAYIG DGCFIGFRST VFNARVGAGC VVMMHVLIQD VEIPPGKYVP DATA SEQUENCE SGMVITTQQQ ADRLPNVEES DIHFAQHVVG INEALLSGYQ cAENIAcIAP DATA SEQUENCE IRNE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 4 Q C 0.000 175.840 176.000 -0.267 0.000 1.003 4 Q CA 0.000 55.685 55.803 -0.197 0.000 1.022 4 Q CB 0.000 28.702 28.738 -0.059 0.000 1.108 5 S N 2.894 118.310 115.700 -0.474 0.000 2.526 5 S HA 0.860 5.336 4.470 0.010 0.000 0.293 5 S C -1.543 172.703 174.600 -0.591 0.000 1.092 5 S CA -0.107 57.878 58.200 -0.358 0.000 0.980 5 S CB 0.892 63.971 63.200 -0.201 0.000 1.048 5 S HN 0.445 8.755 8.310 -0.000 0.000 0.483 6 Y N 1.011 121.284 120.300 -0.045 0.000 2.581 6 Y HA 0.705 5.256 4.550 0.002 0.000 0.345 6 Y C 0.515 176.388 175.900 -0.045 0.000 1.036 6 Y CA -0.894 57.180 58.100 -0.042 0.000 1.042 6 Y CB 1.701 40.137 38.460 -0.040 0.000 1.289 6 Y HN 0.918 9.198 8.280 -0.000 0.000 0.471 7 A N 1.157 124.050 122.820 0.121 0.000 2.366 7 A HA 0.640 4.966 4.320 0.010 0.000 0.249 7 A C 0.112 177.714 177.584 0.030 0.000 1.084 7 A CA -0.061 52.001 52.037 0.043 0.000 0.794 7 A CB -0.270 18.740 19.000 0.017 0.000 1.034 7 A HN 0.920 9.070 8.150 -0.000 0.000 0.491 8 A N 2.770 125.584 122.820 -0.010 0.000 2.511 8 A HA 0.523 4.849 4.320 0.010 0.000 0.242 8 A C -1.960 175.593 177.584 -0.052 0.000 1.069 8 A CA -0.935 51.084 52.037 -0.031 0.000 0.763 8 A CB -0.539 18.432 19.000 -0.048 0.000 1.001 8 A HN 0.677 8.827 8.150 -0.000 0.000 0.498 9 P HA 0.265 4.685 4.420 -0.000 0.000 0.274 9 P C -2.791 174.409 177.300 -0.167 0.000 1.231 9 P CA -1.447 61.593 63.100 -0.101 0.000 0.790 9 P CB 0.094 31.737 31.700 -0.096 0.000 0.951 10 P HA 0.139 4.559 4.420 -0.000 0.000 0.276 10 P C -0.343 176.766 177.300 -0.318 0.000 1.243 10 P CA 0.344 63.317 63.100 -0.211 0.000 0.768 10 P CB 0.394 32.008 31.700 -0.143 0.000 0.856 11 T N -0.136 114.123 114.554 -0.492 0.000 2.812 11 T HA 0.477 4.833 4.350 0.010 0.000 0.294 11 T C -2.296 172.056 174.700 -0.581 0.000 1.159 11 T CA -2.014 59.636 62.100 -0.750 0.000 1.008 11 T CB 1.021 68.894 68.868 -1.658 0.000 1.289 11 T HN -0.058 8.182 8.240 -0.000 0.000 0.514 12 P HA 0.014 4.434 4.420 -0.000 0.000 0.219 12 P C 0.761 178.061 177.300 0.001 0.000 1.146 12 P CA 1.076 64.112 63.100 -0.106 0.000 0.808 12 P CB -0.153 31.594 31.700 0.078 0.000 0.779 13 W N -2.407 118.890 121.300 -0.006 0.000 3.211 13 W HA 0.521 5.187 4.660 0.010 0.000 0.292 13 W C -0.070 176.439 176.519 -0.017 0.000 1.268 13 W CA -0.218 57.122 57.345 -0.009 0.000 1.702 13 W CB -0.212 29.245 29.460 -0.005 0.000 1.092 13 W HN -0.230 7.950 8.180 -0.000 0.000 0.643 14 S N 0.787 116.296 115.700 -0.319 0.000 2.603 14 S HA 0.485 4.961 4.470 0.010 0.000 0.274 14 S C -0.027 174.447 174.600 -0.210 0.000 1.168 14 S CA -0.746 57.341 58.200 -0.188 0.000 0.963 14 S CB 0.970 64.084 63.200 -0.143 0.000 1.078 14 S HN 0.246 8.556 8.310 -0.000 0.000 0.477 15 R N 1.445 121.875 120.500 -0.116 0.000 2.541 15 R HA 0.146 4.492 4.340 0.010 0.000 0.332 15 R C 0.175 176.433 176.300 -0.069 0.000 0.951 15 R CA 0.153 56.193 56.100 -0.100 0.000 1.136 15 R CB 0.274 30.527 30.300 -0.078 0.000 1.449 15 R HN 0.614 8.884 8.270 -0.000 0.000 0.531 16 D N 1.141 121.507 120.400 -0.057 0.000 2.347 16 D HA -0.075 4.571 4.640 0.010 0.000 0.215 16 D C 0.673 176.949 176.300 -0.042 0.000 0.976 16 D CA 0.150 54.125 54.000 -0.041 0.000 0.884 16 D CB -0.076 40.705 40.800 -0.031 0.000 0.915 16 D HN 0.124 8.494 8.370 -0.000 0.000 0.526 17 L N -1.203 119.989 121.223 -0.052 0.000 3.678 17 L HA -0.223 4.123 4.340 0.010 0.000 0.425 17 L C 0.450 177.300 176.870 -0.033 0.000 1.240 17 L CA 0.010 54.824 54.840 -0.044 0.000 0.876 17 L CB -2.326 39.710 42.059 -0.038 0.000 1.766 17 L HN 0.234 8.464 8.230 -0.000 0.000 0.917 18 A N 0.315 123.113 122.820 -0.037 0.000 2.462 18 A HA 0.479 4.804 4.320 0.010 0.000 0.243 18 A C 0.620 178.185 177.584 -0.032 0.000 1.076 18 A CA 0.260 52.277 52.037 -0.034 0.000 0.773 18 A CB 0.327 19.303 19.000 -0.040 0.000 1.010 18 A HN 0.478 8.628 8.150 -0.000 0.000 0.493 19 E N 1.601 121.784 120.200 -0.029 0.000 2.263 19 E HA 0.429 4.785 4.350 0.010 0.000 0.264 19 E C -2.647 173.933 176.600 -0.034 0.000 0.923 19 E CA -2.127 54.256 56.400 -0.030 0.000 0.802 19 E CB 1.134 30.814 29.700 -0.033 0.000 1.228 19 E HN 0.412 8.772 8.360 -0.000 0.000 0.417 20 P HA -0.032 4.388 4.420 -0.000 0.000 0.264 20 P C -1.082 176.195 177.300 -0.039 0.000 1.193 20 P CA 0.433 63.511 63.100 -0.037 0.000 0.763 20 P CB 0.377 32.051 31.700 -0.043 0.000 0.810 21 E N 3.301 123.482 120.200 -0.031 0.000 2.081 21 E HA 0.310 4.666 4.350 0.010 0.000 0.281 21 E C -0.237 176.334 176.600 -0.048 0.000 0.986 21 E CA -0.333 56.048 56.400 -0.033 0.000 0.796 21 E CB 0.592 30.282 29.700 -0.015 0.000 1.085 21 E HN 0.399 8.759 8.360 -0.000 0.000 0.398 22 I N 2.354 122.890 120.570 -0.057 0.000 2.378 22 I HA 0.330 4.506 4.170 0.010 0.000 0.291 22 I C 0.379 176.453 176.117 -0.073 0.000 0.992 22 I CA -0.917 60.341 61.300 -0.070 0.000 1.154 22 I CB 1.692 39.646 38.000 -0.076 0.000 1.315 22 I HN 0.446 8.656 8.210 -0.000 0.000 0.448 23 A N 8.624 131.391 122.820 -0.087 0.000 2.498 23 A HA 0.289 4.615 4.320 0.010 0.000 0.239 23 A C -1.368 176.155 177.584 -0.100 0.000 1.068 23 A CA -0.861 51.114 52.037 -0.103 0.000 0.766 23 A CB -0.278 18.636 19.000 -0.144 0.000 1.003 23 A HN 0.648 8.798 8.150 -0.000 0.000 0.497 24 P HA -0.104 4.316 4.420 -0.000 0.000 0.226 24 P C 1.157 178.403 177.300 -0.089 0.000 1.153 24 P CA 1.729 64.784 63.100 -0.076 0.000 0.777 24 P CB -0.221 31.443 31.700 -0.061 0.000 0.794 25 T N -3.453 110.994 114.554 -0.178 0.000 3.088 25 T HA 0.334 4.690 4.350 0.010 0.000 0.259 25 T C 1.053 175.667 174.700 -0.142 0.000 1.122 25 T CA -0.017 61.931 62.100 -0.253 0.000 1.095 25 T CB -0.434 67.994 68.868 -0.732 0.000 0.930 25 T HN 0.067 8.307 8.240 -0.000 0.000 0.508 26 A N 0.819 123.585 122.820 -0.089 0.000 2.322 26 A HA 0.607 4.932 4.320 0.010 0.000 0.269 26 A C -0.930 176.714 177.584 0.100 0.000 1.094 26 A CA -0.710 51.334 52.037 0.013 0.000 0.807 26 A CB 0.234 19.218 19.000 -0.026 0.000 1.047 26 A HN 0.540 8.690 8.150 -0.000 0.000 0.487 27 Y N 1.393 121.714 120.300 0.034 0.000 2.331 27 Y HA 0.517 5.073 4.550 0.011 0.000 0.334 27 Y C -0.887 175.040 175.900 0.046 0.000 0.960 27 Y CA -0.585 57.530 58.100 0.025 0.000 1.130 27 Y CB 1.734 40.216 38.460 0.036 0.000 1.164 27 Y HN 0.426 8.706 8.280 -0.000 0.000 0.458 28 V N 6.311 125.900 119.914 -0.541 0.000 2.384 28 V HA 0.258 4.383 4.120 0.010 0.000 0.287 28 V C -0.039 175.687 176.094 -0.613 0.000 1.020 28 V CA -0.835 61.243 62.300 -0.370 0.000 0.850 28 V CB 0.903 32.583 31.823 -0.238 0.000 0.987 28 V HN 0.764 8.954 8.190 -0.000 0.000 0.436 29 H N 2.511 121.376 119.070 -0.341 0.000 2.815 29 H HA 0.100 4.661 4.556 0.008 0.000 0.350 29 H C 1.171 176.417 175.328 -0.137 0.000 1.080 29 H CA 0.188 56.108 56.048 -0.213 0.000 1.433 29 H CB 1.305 31.035 29.762 -0.054 0.000 1.432 29 H HN 0.688 8.968 8.280 -0.000 0.000 0.592 30 S N 2.505 118.218 115.700 0.021 0.000 2.370 30 S HA -0.202 4.274 4.470 0.010 0.000 0.226 30 S C 0.875 175.540 174.600 0.109 0.000 1.033 30 S CA 0.950 59.171 58.200 0.035 0.000 1.011 30 S CB -0.127 63.110 63.200 0.063 0.000 0.852 30 S HN 0.449 8.759 8.310 -0.000 0.000 0.457 31 F N 3.491 123.449 119.950 0.015 0.000 2.652 31 F HA 0.361 4.890 4.527 0.003 0.000 0.352 31 F C 0.434 176.231 175.800 -0.005 0.000 1.259 31 F CA -0.409 57.595 58.000 0.007 0.000 1.249 31 F CB -0.534 38.471 39.000 0.008 0.000 1.628 31 F HN 0.059 8.359 8.300 -0.000 0.000 0.654 32 S N 2.522 118.109 115.700 -0.187 0.000 2.595 32 S HA 0.444 4.920 4.470 0.010 0.000 0.270 32 S C -1.679 172.849 174.600 -0.120 0.000 1.145 32 S CA -1.193 56.911 58.200 -0.160 0.000 0.825 32 S CB 1.514 64.674 63.200 -0.067 0.000 1.107 32 S HN 0.362 8.672 8.310 -0.000 0.000 0.461 33 N N -0.105 118.549 118.700 -0.078 0.000 2.410 33 N HA 0.696 5.442 4.740 0.010 0.000 0.287 33 N C -2.146 173.384 175.510 0.033 0.000 1.044 33 N CA -0.408 52.644 53.050 0.003 0.000 0.881 33 N CB 1.270 39.747 38.487 -0.016 0.000 1.405 33 N HN 0.592 8.972 8.380 -0.000 0.000 0.490 34 L N 4.229 125.494 121.223 0.070 0.000 2.343 34 L HA 0.595 4.941 4.340 0.010 0.000 0.278 34 L C -0.920 176.018 176.870 0.115 0.000 0.996 34 L CA -0.394 54.483 54.840 0.061 0.000 0.831 34 L CB 1.294 43.355 42.059 0.004 0.000 1.232 34 L HN 0.561 8.791 8.230 -0.000 0.000 0.413 35 I N 2.994 123.621 120.570 0.094 0.000 2.436 35 I HA 0.804 4.980 4.170 0.010 0.000 0.289 35 I C 0.704 176.820 176.117 -0.001 0.000 1.010 35 I CA -0.332 61.018 61.300 0.083 0.000 1.098 35 I CB 1.635 39.674 38.000 0.064 0.000 1.266 35 I HN 0.702 8.912 8.210 -0.000 0.000 0.434 36 G N 4.906 113.697 108.800 -0.015 0.000 2.587 36 G HA2 -0.212 3.754 3.960 0.010 0.000 0.212 36 G HA3 -0.212 3.754 3.960 0.010 0.000 0.212 36 G C -0.543 174.298 174.900 -0.099 0.000 1.327 36 G CA -0.642 44.414 45.100 -0.073 0.000 0.898 36 G HN 0.673 8.963 8.290 -0.000 0.000 0.551 37 D N 0.689 121.006 120.400 -0.137 0.000 2.541 37 D HA 0.381 5.027 4.640 0.010 0.000 0.231 37 D C 0.444 176.686 176.300 -0.098 0.000 1.163 37 D CA 0.191 54.131 54.000 -0.099 0.000 1.077 37 D CB -0.212 40.537 40.800 -0.084 0.000 1.110 37 D HN 0.517 8.887 8.370 -0.000 0.000 0.499 38 V N 4.579 124.463 119.914 -0.050 0.000 2.357 38 V HA 0.368 4.494 4.120 0.010 0.000 0.284 38 V C 0.541 176.647 176.094 0.020 0.000 1.018 38 V CA -0.803 61.510 62.300 0.022 0.000 0.841 38 V CB 1.425 33.274 31.823 0.043 0.000 0.991 38 V HN 0.202 8.392 8.190 -0.000 0.000 0.437 39 R N 5.252 125.776 120.500 0.040 0.000 2.233 39 R HA 0.591 4.937 4.340 0.010 0.000 0.334 39 R C -0.960 175.254 176.300 -0.144 0.000 1.037 39 R CA -0.303 55.789 56.100 -0.012 0.000 0.920 39 R CB 1.165 31.518 30.300 0.088 0.000 1.137 39 R HN 0.616 8.886 8.270 -0.000 0.000 0.492 40 I N 4.189 124.684 120.570 -0.126 0.000 2.328 40 I HA 0.202 4.377 4.170 0.010 0.000 0.287 40 I C 0.251 176.274 176.117 -0.157 0.000 1.012 40 I CA -0.672 60.531 61.300 -0.161 0.000 1.195 40 I CB 0.832 38.769 38.000 -0.104 0.000 1.350 40 I HN 0.261 8.471 8.210 -0.000 0.000 0.464 41 K N 3.978 124.254 120.400 -0.207 0.000 2.440 41 K HA 0.276 4.602 4.320 0.010 0.000 0.252 41 K C -0.226 176.298 176.600 -0.126 0.000 1.044 41 K CA -0.696 55.501 56.287 -0.150 0.000 0.962 41 K CB 0.402 32.810 32.500 -0.153 0.000 1.269 41 K HN 0.379 8.629 8.250 -0.000 0.000 0.505 42 D N 0.546 120.872 120.400 -0.124 0.000 2.472 42 D HA -0.066 4.580 4.640 0.010 0.000 0.237 42 D C -0.048 176.183 176.300 -0.114 0.000 1.141 42 D CA 0.716 54.566 54.000 -0.250 0.000 0.875 42 D CB 0.025 40.652 40.800 -0.288 0.000 1.192 42 D HN 0.376 8.746 8.370 -0.000 0.000 0.450 43 Y N -1.876 118.426 120.300 0.003 0.000 3.589 43 Y HA -0.247 4.309 4.550 0.010 0.000 0.218 43 Y C 0.084 176.000 175.900 0.027 0.000 1.234 43 Y CA -0.044 58.065 58.100 0.016 0.000 1.576 43 Y CB -2.094 36.369 38.460 0.004 0.000 1.487 43 Y HN 0.089 8.369 8.280 -0.000 0.000 0.616 44 V N 0.770 120.744 119.914 0.101 0.000 2.546 44 V HA 0.192 4.318 4.120 0.010 0.000 0.284 44 V C 0.564 176.771 176.094 0.188 0.000 1.050 44 V CA -0.562 61.794 62.300 0.093 0.000 0.981 44 V CB 1.522 33.345 31.823 -0.000 0.000 0.990 44 V HN 0.424 8.614 8.190 -0.000 0.000 0.474 45 H N 5.486 124.604 119.070 0.080 0.000 2.595 45 H HA 0.514 5.076 4.556 0.009 0.000 0.313 45 H C -1.004 174.386 175.328 0.103 0.000 1.023 45 H CA -0.828 55.303 56.048 0.139 0.000 1.218 45 H CB 1.007 30.864 29.762 0.158 0.000 1.403 45 H HN 0.537 8.817 8.280 -0.000 0.000 0.477 46 I N 5.149 125.727 120.570 0.013 0.000 2.354 46 I HA 0.299 4.475 4.170 0.010 0.000 0.286 46 I C 0.429 176.485 176.117 -0.103 0.000 1.007 46 I CA -0.487 60.758 61.300 -0.092 0.000 1.167 46 I CB 1.268 39.240 38.000 -0.046 0.000 1.320 46 I HN 0.550 8.760 8.210 -0.000 0.000 0.458 47 A N 8.631 131.290 122.820 -0.267 0.000 2.259 47 A HA 0.704 5.029 4.320 0.010 0.000 0.278 47 A C -2.490 174.965 177.584 -0.214 0.000 1.107 47 A CA -1.419 50.397 52.037 -0.368 0.000 0.828 47 A CB -0.129 18.651 19.000 -0.365 0.000 1.111 47 A HN 0.396 8.546 8.150 -0.000 0.000 0.498 48 P HA 0.330 4.750 4.420 -0.000 0.000 0.272 48 P C 0.782 178.131 177.300 0.081 0.000 1.223 48 P CA 1.583 64.691 63.100 0.013 0.000 0.784 48 P CB 0.654 32.371 31.700 0.028 0.000 0.923 49 G N 0.640 109.525 108.800 0.142 0.000 2.179 49 G HA2 -0.212 3.754 3.960 0.010 0.000 0.260 49 G HA3 -0.212 3.754 3.960 0.010 0.000 0.260 49 G C 0.237 175.102 174.900 -0.058 0.000 0.977 49 G CA 0.361 45.483 45.100 0.036 0.000 0.641 49 G HN 0.822 9.112 8.290 -0.000 0.000 0.533 50 T N -1.501 113.012 114.554 -0.068 0.000 2.897 50 T HA 0.628 4.984 4.350 0.010 0.000 0.294 50 T C 0.098 174.755 174.700 -0.072 0.000 1.004 50 T CA 0.353 62.414 62.100 -0.065 0.000 1.106 50 T CB 2.115 70.947 68.868 -0.061 0.000 0.949 50 T HN 0.942 9.182 8.240 -0.000 0.000 0.520 51 S N 2.657 118.327 115.700 -0.051 0.000 2.669 51 S HA 0.535 5.011 4.470 0.010 0.000 0.315 51 S C -0.584 174.025 174.600 0.015 0.000 1.106 51 S CA -0.941 57.240 58.200 -0.031 0.000 1.107 51 S CB -0.263 62.907 63.200 -0.049 0.000 0.990 51 S HN 0.672 8.982 8.310 -0.000 0.000 0.471 52 I N 5.077 125.678 120.570 0.052 0.000 2.328 52 I HA 0.482 4.658 4.170 0.010 0.000 0.287 52 I C 0.205 176.440 176.117 0.197 0.000 1.012 52 I CA -0.513 60.873 61.300 0.142 0.000 1.195 52 I CB 1.329 39.407 38.000 0.131 0.000 1.350 52 I HN 0.440 8.650 8.210 -0.000 0.000 0.464 53 R N 5.395 126.084 120.500 0.315 0.000 2.412 53 R HA 0.603 4.949 4.340 0.010 0.000 0.304 53 R C -0.548 175.895 176.300 0.238 0.000 1.066 53 R CA -0.356 55.895 56.100 0.251 0.000 0.923 53 R CB 1.417 31.853 30.300 0.227 0.000 1.156 53 R HN 0.744 9.014 8.270 -0.000 0.000 0.513 54 A N 3.903 126.640 122.820 -0.138 0.000 3.293 54 A HA 0.141 4.467 4.320 0.010 0.000 0.282 54 A C 0.041 177.506 177.584 -0.199 0.000 1.394 54 A CA -0.509 51.181 52.037 -0.578 0.000 1.118 54 A CB -0.124 18.299 19.000 -0.963 0.000 1.133 54 A HN 0.863 9.013 8.150 -0.000 0.000 0.627 55 D N -1.296 119.108 120.400 0.007 0.000 2.423 55 D HA 0.017 4.663 4.640 0.010 0.000 0.212 55 D C 0.979 177.481 176.300 0.336 0.000 1.060 55 D CA 0.630 54.711 54.000 0.135 0.000 0.872 55 D CB 0.163 41.059 40.800 0.160 0.000 1.012 55 D HN 0.525 8.895 8.370 -0.000 0.000 0.503 56 E N 0.696 121.010 120.200 0.190 0.000 2.205 56 E HA 0.310 4.666 4.350 0.010 0.000 0.219 56 E C 0.986 177.554 176.600 -0.053 0.000 0.948 56 E CA 0.062 56.514 56.400 0.086 0.000 0.993 56 E CB -0.256 29.374 29.700 -0.116 0.000 1.441 56 E HN 0.170 8.530 8.360 -0.000 0.000 0.511 57 G N 0.498 109.224 108.800 -0.123 0.000 2.398 57 G HA2 0.325 4.291 3.960 0.010 0.000 0.246 57 G HA3 0.325 4.291 3.960 0.010 0.000 0.246 57 G C -0.449 174.448 174.900 -0.006 0.000 1.289 57 G CA 0.389 45.480 45.100 -0.016 0.000 0.869 57 G HN 0.108 8.398 8.290 -0.000 0.000 0.543 58 T N 2.707 117.266 114.554 0.009 0.000 2.893 58 T HA 0.586 4.942 4.350 0.010 0.000 0.337 58 T C -2.937 171.761 174.700 -0.004 0.000 1.587 58 T CA -0.892 61.150 62.100 -0.097 0.000 1.066 58 T CB 2.238 71.025 68.868 -0.135 0.000 1.414 58 T HN 0.415 8.655 8.240 -0.000 0.000 0.488 59 P HA 0.575 4.995 4.420 -0.000 0.000 0.278 59 P C -1.135 176.392 177.300 0.378 0.000 1.266 59 P CA -0.562 62.545 63.100 0.011 0.000 0.807 59 P CB 0.502 32.188 31.700 -0.023 0.000 1.094 60 F N -0.489 119.595 119.950 0.223 0.000 2.450 60 F HA 0.402 4.934 4.527 0.009 0.000 0.332 60 F C 0.751 176.706 175.800 0.258 0.000 1.093 60 F CA -0.858 57.284 58.000 0.236 0.000 1.003 60 F CB 0.365 39.411 39.000 0.078 0.000 1.151 60 F HN 0.407 8.707 8.300 -0.000 0.000 0.474 61 H N 2.518 121.686 119.070 0.163 0.000 2.489 61 H HA 0.719 5.281 4.556 0.010 0.000 0.343 61 H C -1.380 173.694 175.328 -0.423 0.000 1.086 61 H CA -0.465 55.425 56.048 -0.264 0.000 1.198 61 H CB 1.132 30.349 29.762 -0.909 0.000 1.490 61 H HN 0.537 8.817 8.280 -0.000 0.000 0.504 62 I N 5.118 125.240 120.570 -0.746 0.000 2.439 62 I HA 0.356 4.532 4.170 0.010 0.000 0.285 62 I C 0.800 176.481 176.117 -0.726 0.000 1.021 62 I CA -0.741 60.213 61.300 -0.577 0.000 1.091 62 I CB 1.845 39.668 38.000 -0.295 0.000 1.242 62 I HN 0.757 8.967 8.210 -0.000 0.000 0.439 63 G N 3.584 112.047 108.800 -0.561 0.000 2.621 63 G HA2 0.358 4.324 3.960 0.010 0.000 0.271 63 G HA3 0.358 4.324 3.960 0.010 0.000 0.271 63 G C 0.026 174.820 174.900 -0.177 0.000 1.236 63 G CA -0.430 44.464 45.100 -0.343 0.000 0.958 63 G HN 0.657 8.947 8.290 -0.000 0.000 0.512 64 S N -1.162 114.497 115.700 -0.067 0.000 2.564 64 S HA 0.307 4.783 4.470 0.010 0.000 0.278 64 S C 0.729 175.356 174.600 0.043 0.000 1.333 64 S CA -0.200 58.008 58.200 0.012 0.000 1.048 64 S CB 1.018 64.262 63.200 0.073 0.000 0.900 64 S HN 0.778 9.088 8.310 -0.000 0.000 0.505 65 R N -1.042 119.518 120.500 0.100 0.000 3.875 65 R HA -0.133 4.213 4.340 0.010 0.000 0.321 65 R C -0.487 175.834 176.300 0.035 0.000 1.196 65 R CA 1.107 57.259 56.100 0.085 0.000 0.868 65 R CB -2.734 27.594 30.300 0.047 0.000 1.333 65 R HN 0.758 9.028 8.270 -0.000 0.000 0.522 66 T N 1.372 115.931 114.554 0.008 0.000 2.882 66 T HA 0.334 4.690 4.350 0.010 0.000 0.287 66 T C 0.231 174.932 174.700 0.001 0.000 0.992 66 T CA -0.580 61.505 62.100 -0.024 0.000 1.076 66 T CB 0.953 69.770 68.868 -0.085 0.000 0.961 66 T HN 0.398 8.638 8.240 -0.000 0.000 0.490 67 N N 1.916 120.611 118.700 -0.007 0.000 2.361 67 N HA 0.560 5.306 4.740 0.010 0.000 0.302 67 N C -1.247 174.221 175.510 -0.070 0.000 1.074 67 N CA -0.900 52.152 53.050 0.004 0.000 0.850 67 N CB 1.140 39.660 38.487 0.054 0.000 1.228 67 N HN 0.245 8.625 8.380 -0.000 0.000 0.491 68 I N 1.194 121.706 120.570 -0.097 0.000 2.411 68 I HA 0.267 4.443 4.170 0.010 0.000 0.284 68 I C 0.087 176.105 176.117 -0.166 0.000 1.012 68 I CA -0.391 60.834 61.300 -0.125 0.000 1.119 68 I CB 0.734 38.671 38.000 -0.104 0.000 1.261 68 I HN 0.702 8.912 8.210 -0.000 0.000 0.448 69 Q N 3.024 122.720 119.800 -0.173 0.000 2.173 69 Q HA 0.263 4.609 4.340 0.010 0.000 0.186 69 Q C -0.641 175.300 176.000 -0.099 0.000 1.018 69 Q CA -0.821 54.864 55.803 -0.197 0.000 1.064 69 Q CB 0.886 29.402 28.738 -0.370 0.000 1.130 69 Q HN 0.464 8.734 8.270 -0.000 0.000 0.553 70 D N -0.041 120.368 120.400 0.015 0.000 2.458 70 D HA 0.248 4.894 4.640 0.010 0.000 0.243 70 D C 0.643 176.966 176.300 0.038 0.000 1.146 70 D CA 1.172 55.199 54.000 0.046 0.000 0.877 70 D CB 0.210 41.065 40.800 0.092 0.000 1.176 70 D HN 0.773 9.143 8.370 -0.000 0.000 0.461 71 G N 1.080 109.885 108.800 0.009 0.000 2.168 71 G HA2 -0.274 3.691 3.960 0.010 0.000 0.257 71 G HA3 -0.274 3.691 3.960 0.010 0.000 0.257 71 G C 0.382 175.272 174.900 -0.016 0.000 0.997 71 G CA 0.057 45.156 45.100 -0.001 0.000 0.708 71 G HN 0.509 8.799 8.290 -0.000 0.000 0.520 72 V N -0.097 119.799 119.914 -0.029 0.000 2.811 72 V HA 0.442 4.568 4.120 0.010 0.000 0.302 72 V C 0.866 176.936 176.094 -0.041 0.000 1.063 72 V CA -0.135 62.141 62.300 -0.039 0.000 1.088 72 V CB 1.742 33.529 31.823 -0.060 0.000 0.982 72 V HN 0.262 8.452 8.190 -0.000 0.000 0.485 73 V N 6.148 126.039 119.914 -0.039 0.000 2.604 73 V HA 0.549 4.675 4.120 0.010 0.000 0.305 73 V C -0.334 175.733 176.094 -0.045 0.000 1.043 73 V CA -0.461 61.819 62.300 -0.034 0.000 0.888 73 V CB 1.822 33.627 31.823 -0.030 0.000 0.995 73 V HN 0.646 8.836 8.190 -0.000 0.000 0.429 74 I N 4.663 125.209 120.570 -0.040 0.000 2.447 74 I HA 0.573 4.749 4.170 0.010 0.000 0.287 74 I C -0.496 175.616 176.117 -0.009 0.000 1.023 74 I CA -0.326 60.896 61.300 -0.131 0.000 1.083 74 I CB 1.594 39.451 38.000 -0.239 0.000 1.245 74 I HN 0.691 8.901 8.210 -0.000 0.000 0.434 75 H N 3.440 122.321 119.070 -0.316 0.000 2.966 75 H HA 0.753 5.315 4.556 0.010 0.000 0.330 75 H C -1.353 173.643 175.328 -0.554 0.000 1.292 75 H CA -0.716 55.203 56.048 -0.215 0.000 1.127 75 H CB 2.893 32.513 29.762 -0.236 0.000 1.863 75 H HN 0.730 9.010 8.280 -0.000 0.000 0.543 76 G N 1.348 109.733 108.800 -0.691 0.000 2.718 76 G HA2 0.405 4.371 3.960 0.010 0.000 0.295 76 G HA3 0.405 4.371 3.960 0.010 0.000 0.295 76 G C -1.268 173.542 174.900 -0.149 0.000 1.421 76 G CA -0.745 44.164 45.100 -0.318 0.000 0.902 76 G HN 0.480 8.770 8.290 -0.000 0.000 0.501 77 L N 1.741 123.070 121.223 0.177 0.000 2.456 77 L HA 0.104 4.449 4.340 0.010 0.000 0.272 77 L C 2.022 178.869 176.870 -0.038 0.000 1.189 77 L CA -0.518 54.394 54.840 0.120 0.000 0.846 77 L CB 1.334 43.508 42.059 0.191 0.000 1.111 77 L HN 0.618 8.848 8.230 -0.000 0.000 0.475 78 Q N 1.520 121.219 119.800 -0.168 0.000 2.084 78 Q HA -0.119 4.227 4.340 0.010 0.000 0.202 78 Q C 0.140 176.024 176.000 -0.193 0.000 0.978 78 Q CA 1.410 57.015 55.803 -0.330 0.000 0.844 78 Q CB 0.356 28.688 28.738 -0.676 0.000 0.898 78 Q HN 0.549 8.819 8.270 -0.000 0.000 0.426 79 Q N -0.367 119.360 119.800 -0.122 0.000 2.241 79 Q HA 0.505 4.851 4.340 0.010 0.000 0.254 79 Q C -0.400 175.595 176.000 -0.008 0.000 0.917 79 Q CA 0.216 55.984 55.803 -0.059 0.000 0.919 79 Q CB 1.661 30.368 28.738 -0.052 0.000 1.237 79 Q HN 0.427 8.697 8.270 -0.000 0.000 0.434 80 G N 2.546 111.351 108.800 0.008 0.000 3.363 80 G HA2 -0.040 3.926 3.960 0.010 0.000 0.685 80 G HA3 -0.040 3.926 3.960 0.010 0.000 0.685 80 G C -1.056 173.880 174.900 0.060 0.000 1.199 80 G CA -0.937 44.181 45.100 0.030 0.000 0.946 80 G HN 0.348 8.638 8.290 -0.000 0.000 0.558 81 R N 0.230 120.767 120.500 0.061 0.000 2.808 81 R HA 0.840 5.186 4.340 0.010 0.000 0.272 81 R C 0.231 176.591 176.300 0.099 0.000 0.995 81 R CA -0.422 55.737 56.100 0.098 0.000 0.917 81 R CB 1.952 32.301 30.300 0.080 0.000 1.217 81 R HN 1.452 9.722 8.270 -0.000 0.000 0.471 82 V N -1.323 118.685 119.914 0.157 0.000 3.019 82 V HA 0.614 4.740 4.120 0.010 0.000 0.317 82 V C 0.044 176.223 176.094 0.142 0.000 1.094 82 V CA -1.071 61.309 62.300 0.134 0.000 1.000 82 V CB 1.958 33.900 31.823 0.199 0.000 1.060 82 V HN 0.455 8.645 8.190 -0.000 0.000 0.443 83 I N 3.162 123.752 120.570 0.033 0.000 2.301 83 I HA 0.438 4.613 4.170 0.010 0.000 0.292 83 I C 1.204 177.238 176.117 -0.139 0.000 1.046 83 I CA 0.318 61.610 61.300 -0.014 0.000 1.282 83 I CB 0.164 38.113 38.000 -0.084 0.000 1.409 83 I HN 0.988 9.198 8.210 -0.000 0.000 0.484 84 G N 4.701 113.427 108.800 -0.124 0.000 2.664 84 G HA2 0.047 4.013 3.960 0.010 0.000 0.242 84 G HA3 0.047 4.013 3.960 0.010 0.000 0.242 84 G C 0.548 174.940 174.900 -0.847 0.000 1.225 84 G CA -0.336 44.201 45.100 -0.940 0.000 0.849 84 G HN 0.624 8.914 8.290 -0.000 0.000 0.581 85 D N -0.116 119.501 120.400 -1.306 0.000 2.351 85 D HA -0.076 4.570 4.640 0.010 0.000 0.216 85 D C 1.682 177.867 176.300 -0.193 0.000 0.968 85 D CA 1.239 54.949 54.000 -0.483 0.000 0.899 85 D CB 0.109 40.775 40.800 -0.223 0.000 0.907 85 D HN 0.578 8.948 8.370 -0.000 0.000 0.514 86 D N -1.277 119.044 120.400 -0.131 0.000 2.340 86 D HA 0.131 4.777 4.640 0.010 0.000 0.220 86 D C 1.650 177.969 176.300 0.032 0.000 1.039 86 D CA 0.663 54.686 54.000 0.039 0.000 0.866 86 D CB -0.054 40.850 40.800 0.173 0.000 0.913 86 D HN 0.175 8.545 8.370 -0.000 0.000 0.523 87 G N -0.609 108.182 108.800 -0.015 0.000 2.217 87 G HA2 -0.267 3.699 3.960 0.010 0.000 0.246 87 G HA3 -0.267 3.699 3.960 0.010 0.000 0.246 87 G C 0.268 175.187 174.900 0.032 0.000 0.990 87 G CA -0.047 45.052 45.100 -0.003 0.000 0.627 87 G HN 0.347 8.637 8.290 -0.000 0.000 0.522 88 Q N 0.883 120.742 119.800 0.098 0.000 2.256 88 Q HA 0.501 4.847 4.340 0.010 0.000 0.232 88 Q C 0.237 176.292 176.000 0.091 0.000 0.965 88 Q CA -0.163 55.680 55.803 0.067 0.000 0.908 88 Q CB 0.743 29.504 28.738 0.038 0.000 1.209 88 Q HN 0.671 8.941 8.270 -0.000 0.000 0.489 89 E N 0.897 121.075 120.200 -0.037 0.000 2.249 89 E HA 0.354 4.710 4.350 0.010 0.000 0.280 89 E C -0.988 175.532 176.600 -0.134 0.000 1.016 89 E CA -0.164 56.243 56.400 0.013 0.000 0.830 89 E CB 0.753 30.451 29.700 -0.003 0.000 1.081 89 E HN 0.335 8.695 8.360 -0.000 0.000 0.395 90 Y N 0.205 120.603 120.300 0.164 0.000 2.499 90 Y HA 0.092 4.647 4.550 0.009 0.000 0.347 90 Y C 1.188 177.220 175.900 0.221 0.000 0.987 90 Y CA -0.567 57.676 58.100 0.238 0.000 1.044 90 Y CB 2.052 40.728 38.460 0.361 0.000 1.245 90 Y HN 0.541 8.821 8.280 -0.000 0.000 0.461 91 S N 0.898 116.835 115.700 0.396 0.000 2.355 91 S HA 0.036 4.512 4.470 0.010 0.000 0.222 91 S C 0.146 174.933 174.600 0.312 0.000 1.031 91 S CA 0.937 59.346 58.200 0.349 0.000 0.993 91 S CB -0.029 63.423 63.200 0.419 0.000 0.859 91 S HN 0.336 8.646 8.310 -0.000 0.000 0.453 92 V N 1.782 121.916 119.914 0.366 0.000 2.525 92 V HA 0.413 4.539 4.120 0.010 0.000 0.299 92 V C -1.165 175.064 176.094 0.226 0.000 1.034 92 V CA -0.812 61.549 62.300 0.103 0.000 0.863 92 V CB 1.689 33.238 31.823 -0.456 0.000 0.999 92 V HN 0.570 8.760 8.190 -0.000 0.000 0.423 93 W N 7.418 128.695 121.300 -0.040 0.000 2.362 93 W HA 0.706 5.372 4.660 0.011 0.000 0.316 93 W C -1.734 174.623 176.519 -0.270 0.000 1.024 93 W CA -0.854 56.366 57.345 -0.208 0.000 1.270 93 W CB 1.509 30.774 29.460 -0.324 0.000 1.273 93 W HN 0.446 8.626 8.180 -0.000 0.000 0.424 94 I N 5.991 126.263 120.570 -0.496 0.000 2.378 94 I HA 0.392 4.568 4.170 0.010 0.000 0.291 94 I C 1.060 176.849 176.117 -0.547 0.000 0.992 94 I CA -0.506 60.554 61.300 -0.399 0.000 1.154 94 I CB 1.599 39.439 38.000 -0.267 0.000 1.315 94 I HN 0.449 8.659 8.210 -0.000 0.000 0.448 95 G N 4.029 112.640 108.800 -0.314 0.000 2.516 95 G HA2 0.186 4.152 3.960 0.010 0.000 0.276 95 G HA3 0.186 4.152 3.960 0.010 0.000 0.276 95 G C -0.541 174.300 174.900 -0.098 0.000 1.390 95 G CA -0.420 44.597 45.100 -0.139 0.000 1.050 95 G HN 0.517 8.807 8.290 -0.000 0.000 0.519 96 D N 0.170 120.572 120.400 0.004 0.000 2.304 96 D HA 0.165 4.811 4.640 0.010 0.000 0.247 96 D C 0.453 176.759 176.300 0.011 0.000 1.089 96 D CA -0.064 53.941 54.000 0.009 0.000 0.910 96 D CB 0.578 41.410 40.800 0.053 0.000 1.199 96 D HN 0.442 8.812 8.370 -0.000 0.000 0.426 97 N N -0.265 118.438 118.700 0.005 0.000 2.740 97 N HA -0.156 4.590 4.740 0.010 0.000 0.248 97 N C -0.958 174.555 175.510 0.005 0.000 1.062 97 N CA 0.181 53.235 53.050 0.007 0.000 0.704 97 N CB -0.776 37.720 38.487 0.016 0.000 0.968 97 N HN 0.120 8.500 8.380 -0.000 0.000 0.547 98 V N 0.835 120.739 119.914 -0.017 0.000 2.472 98 V HA 0.300 4.425 4.120 0.010 0.000 0.290 98 V C 0.558 176.629 176.094 -0.039 0.000 1.037 98 V CA -0.380 61.906 62.300 -0.024 0.000 0.908 98 V CB 2.057 33.846 31.823 -0.057 0.000 0.985 98 V HN 0.144 8.334 8.190 -0.000 0.000 0.454 99 S N 5.566 121.242 115.700 -0.040 0.000 2.448 99 S HA 0.523 4.999 4.470 0.010 0.000 0.320 99 S C -0.349 174.119 174.600 -0.219 0.000 1.071 99 S CA -0.415 57.726 58.200 -0.099 0.000 1.113 99 S CB 0.525 63.706 63.200 -0.033 0.000 0.972 99 S HN 0.431 8.741 8.310 -0.000 0.000 0.465 100 I N 4.808 125.267 120.570 -0.184 0.000 2.310 100 I HA 0.185 4.360 4.170 0.010 0.000 0.287 100 I C 1.317 177.314 176.117 -0.200 0.000 1.073 100 I CA -0.276 60.909 61.300 -0.192 0.000 1.216 100 I CB -0.296 37.620 38.000 -0.141 0.000 1.415 100 I HN 0.591 8.801 8.210 -0.000 0.000 0.480 101 T N 3.074 117.483 114.554 -0.242 0.000 2.814 101 T HA 0.281 4.637 4.350 0.010 0.000 0.284 101 T C 0.600 175.253 174.700 -0.078 0.000 0.998 101 T CA -0.512 61.477 62.100 -0.185 0.000 0.935 101 T CB 0.406 69.242 68.868 -0.054 0.000 1.167 101 T HN 0.431 8.671 8.240 -0.000 0.000 0.545 102 H N 1.085 120.201 119.070 0.076 0.000 3.214 102 H HA -0.052 4.510 4.556 0.009 0.000 0.291 102 H C 1.101 176.426 175.328 -0.007 0.000 0.926 102 H CA 1.077 57.100 56.048 -0.041 0.000 1.409 102 H CB -0.474 29.145 29.762 -0.238 0.000 1.406 102 H HN 0.736 9.016 8.280 -0.000 0.000 0.561 103 M N -0.949 118.700 119.600 0.082 0.000 2.818 103 M HA -0.257 4.229 4.480 0.010 0.000 0.194 103 M C 0.427 176.738 176.300 0.019 0.000 0.586 103 M CA 0.895 56.216 55.300 0.034 0.000 0.664 103 M CB -1.408 31.207 32.600 0.025 0.000 2.418 103 M HN 0.654 8.944 8.290 -0.000 0.000 0.517 104 A N 0.984 123.810 122.820 0.010 0.000 2.386 104 A HA 0.665 4.991 4.320 0.010 0.000 0.248 104 A C -0.321 177.250 177.584 -0.022 0.000 1.082 104 A CA -0.302 51.729 52.037 -0.009 0.000 0.789 104 A CB 0.575 19.552 19.000 -0.039 0.000 1.025 104 A HN 0.445 8.595 8.150 -0.000 0.000 0.490 105 L N 2.719 123.934 121.223 -0.014 0.000 2.349 105 L HA 0.574 4.920 4.340 0.010 0.000 0.278 105 L C -1.223 175.651 176.870 0.007 0.000 0.996 105 L CA -0.293 54.543 54.840 -0.006 0.000 0.825 105 L CB 1.344 43.404 42.059 0.003 0.000 1.243 105 L HN 0.497 8.727 8.230 -0.000 0.000 0.412 106 I N 5.302 125.860 120.570 -0.019 0.000 2.382 106 I HA 0.345 4.520 4.170 0.010 0.000 0.285 106 I C -0.684 175.417 176.117 -0.027 0.000 1.007 106 I CA -0.412 60.876 61.300 -0.020 0.000 1.142 106 I CB 1.044 38.990 38.000 -0.090 0.000 1.289 106 I HN 0.601 8.811 8.210 -0.000 0.000 0.453 107 H N 5.019 124.104 119.070 0.024 0.000 2.646 107 H HA 0.469 5.030 4.556 0.010 0.000 0.328 107 H C 0.186 175.630 175.328 0.192 0.000 0.998 107 H CA -0.306 55.780 56.048 0.063 0.000 1.225 107 H CB 1.973 31.709 29.762 -0.042 0.000 1.457 107 H HN 0.773 9.053 8.280 -0.000 0.000 0.505 108 G N 5.328 114.183 108.800 0.092 0.000 2.484 108 G HA2 0.091 4.057 3.960 0.010 0.000 0.235 108 G HA3 0.091 4.057 3.960 0.010 0.000 0.235 108 G C -2.492 172.649 174.900 0.403 0.000 1.282 108 G CA -0.842 44.371 45.100 0.189 0.000 0.857 108 G HN 0.440 8.730 8.290 -0.000 0.000 0.571 109 P HA 0.434 4.854 4.420 -0.000 0.000 0.276 109 P C -0.629 176.761 177.300 0.149 0.000 1.230 109 P CA -0.094 63.104 63.100 0.163 0.000 0.776 109 P CB 1.553 33.315 31.700 0.103 0.000 0.888 110 A N 3.474 126.389 122.820 0.159 0.000 2.513 110 A HA 0.507 4.833 4.320 0.010 0.000 0.296 110 A C -2.141 175.573 177.584 0.216 0.000 1.052 110 A CA -0.526 51.604 52.037 0.155 0.000 0.714 110 A CB 1.096 20.166 19.000 0.117 0.000 1.279 110 A HN 0.481 8.631 8.150 -0.000 0.000 0.397 111 Y N 2.854 123.213 120.300 0.099 0.000 2.341 111 Y HA 0.748 5.304 4.550 0.010 0.000 0.338 111 Y C -0.938 175.039 175.900 0.129 0.000 0.965 111 Y CA -0.956 57.230 58.100 0.142 0.000 1.108 111 Y CB 1.181 39.677 38.460 0.059 0.000 1.180 111 Y HN 0.582 8.862 8.280 -0.000 0.000 0.458 112 I N 6.357 126.885 120.570 -0.071 0.000 2.418 112 I HA 0.453 4.629 4.170 0.010 0.000 0.287 112 I C 0.599 176.634 176.117 -0.137 0.000 1.008 112 I CA -0.851 60.439 61.300 -0.017 0.000 1.104 112 I CB 1.622 39.607 38.000 -0.025 0.000 1.264 112 I HN 0.830 9.040 8.210 -0.000 0.000 0.438 113 G N 3.983 112.828 108.800 0.075 0.000 2.580 113 G HA2 0.198 4.164 3.960 0.010 0.000 0.278 113 G HA3 0.198 4.164 3.960 0.010 0.000 0.278 113 G C -0.393 174.570 174.900 0.104 0.000 1.212 113 G CA -0.449 44.745 45.100 0.157 0.000 0.939 113 G HN 0.530 8.820 8.290 -0.000 0.000 0.513 114 D N -0.537 119.944 120.400 0.136 0.000 2.472 114 D HA 0.323 4.969 4.640 0.010 0.000 0.237 114 D C 1.466 177.817 176.300 0.085 0.000 1.141 114 D CA 1.615 55.674 54.000 0.099 0.000 0.875 114 D CB 0.808 41.675 40.800 0.112 0.000 1.192 114 D HN 0.882 9.252 8.370 -0.000 0.000 0.450 115 G N 1.267 110.105 108.800 0.063 0.000 2.168 115 G HA2 -0.322 3.644 3.960 0.010 0.000 0.263 115 G HA3 -0.322 3.644 3.960 0.010 0.000 0.263 115 G C 0.534 175.488 174.900 0.090 0.000 0.977 115 G CA 0.316 45.457 45.100 0.068 0.000 0.659 115 G HN 0.659 8.949 8.290 -0.000 0.000 0.533 116 C N -0.215 119.136 119.300 0.085 0.000 2.676 116 C HA 0.530 4.996 4.460 0.010 0.000 0.416 116 C C 0.616 175.691 174.990 0.141 0.000 1.299 116 C CA -0.146 58.937 59.018 0.109 0.000 2.048 116 C CB -0.232 27.552 27.740 0.074 0.000 2.713 116 C HN 0.457 8.687 8.230 -0.000 0.000 0.624 117 F N 4.450 124.420 119.950 0.033 0.000 2.426 117 F HA 0.624 5.158 4.527 0.010 0.000 0.348 117 F C -0.500 175.319 175.800 0.031 0.000 1.124 117 F CA -0.752 57.264 58.000 0.026 0.000 1.008 117 F CB 0.383 39.425 39.000 0.070 0.000 1.139 117 F HN 0.323 8.623 8.300 -0.000 0.000 0.452 118 I N 6.415 126.693 120.570 -0.486 0.000 2.359 118 I HA 0.308 4.484 4.170 0.010 0.000 0.284 118 I C 0.823 176.574 176.117 -0.609 0.000 1.018 118 I CA -0.374 60.709 61.300 -0.362 0.000 1.173 118 I CB 0.500 38.384 38.000 -0.194 0.000 1.326 118 I HN 0.719 8.929 8.210 -0.000 0.000 0.462 119 G N 5.696 114.260 108.800 -0.392 0.000 2.611 119 G HA2 0.325 4.291 3.960 0.010 0.000 0.273 119 G HA3 0.325 4.291 3.960 0.010 0.000 0.273 119 G C -0.153 174.749 174.900 0.005 0.000 1.305 119 G CA -0.636 44.305 45.100 -0.265 0.000 1.010 119 G HN 0.449 8.739 8.290 -0.000 0.000 0.509 120 F N -0.196 119.822 119.950 0.114 0.000 2.602 120 F HA 0.125 4.658 4.527 0.011 0.000 0.385 120 F C 1.649 177.526 175.800 0.128 0.000 1.063 120 F CA 0.124 58.214 58.000 0.149 0.000 1.233 120 F CB 0.345 39.490 39.000 0.243 0.000 1.067 120 F HN 0.556 8.856 8.300 -0.000 0.000 0.564 121 R N 1.309 121.946 120.500 0.229 0.000 3.651 121 R HA -0.185 4.160 4.340 0.010 0.000 0.292 121 R C -0.942 175.368 176.300 0.016 0.000 1.161 121 R CA 0.355 56.485 56.100 0.049 0.000 0.787 121 R CB -1.385 28.853 30.300 -0.103 0.000 1.249 121 R HN 0.608 8.878 8.270 -0.000 0.000 0.476 122 S N -0.544 115.185 115.700 0.049 0.000 2.565 122 S HA 0.520 4.996 4.470 0.010 0.000 0.290 122 S C -0.128 174.481 174.600 0.014 0.000 1.150 122 S CA -0.445 57.773 58.200 0.030 0.000 1.058 122 S CB 2.196 65.413 63.200 0.028 0.000 1.032 122 S HN 0.203 8.513 8.310 -0.000 0.000 0.510 123 T N 2.004 116.573 114.554 0.026 0.000 2.824 123 T HA 0.523 4.879 4.350 0.010 0.000 0.282 123 T C -0.912 173.830 174.700 0.070 0.000 0.993 123 T CA -0.455 61.671 62.100 0.043 0.000 0.967 123 T CB 1.198 70.095 68.868 0.048 0.000 0.960 123 T HN 0.323 8.563 8.240 -0.000 0.000 0.441 124 V N 4.778 124.745 119.914 0.089 0.000 2.376 124 V HA 0.611 4.737 4.120 0.010 0.000 0.287 124 V C -1.084 175.145 176.094 0.225 0.000 1.015 124 V CA -0.821 61.550 62.300 0.118 0.000 0.834 124 V CB 0.900 32.768 31.823 0.075 0.000 1.001 124 V HN 0.813 9.003 8.190 -0.000 0.000 0.428 125 F N 5.178 125.153 119.950 0.041 0.000 2.547 125 F HA 0.598 5.132 4.527 0.011 0.000 0.316 125 F C 0.271 176.094 175.800 0.038 0.000 1.121 125 F CA -1.298 56.733 58.000 0.052 0.000 0.911 125 F CB 1.487 40.492 39.000 0.008 0.000 1.179 125 F HN 0.613 8.913 8.300 -0.000 0.000 0.443 126 N N 3.348 121.878 118.700 -0.283 0.000 2.714 126 N HA -0.095 4.651 4.740 0.010 0.000 0.253 126 N C -1.746 173.652 175.510 -0.186 0.000 1.024 126 N CA 1.123 53.934 53.050 -0.399 0.000 0.726 126 N CB -0.982 36.985 38.487 -0.866 0.000 0.908 126 N HN 1.111 9.491 8.380 -0.000 0.000 0.542 127 A N 0.457 123.250 122.820 -0.045 0.000 2.604 127 A HA 0.714 5.040 4.320 0.010 0.000 0.295 127 A C -0.631 176.989 177.584 0.060 0.000 1.067 127 A CA -0.741 51.293 52.037 -0.005 0.000 0.683 127 A CB 1.421 20.424 19.000 0.005 0.000 1.281 127 A HN 0.363 8.513 8.150 -0.000 0.000 0.407 128 R N 1.189 121.722 120.500 0.056 0.000 2.393 128 R HA 0.657 5.003 4.340 0.010 0.000 0.310 128 R C -1.658 174.709 176.300 0.111 0.000 0.968 128 R CA -0.314 55.851 56.100 0.108 0.000 0.867 128 R CB 1.319 31.632 30.300 0.021 0.000 1.124 128 R HN 0.508 8.778 8.270 -0.000 0.000 0.450 129 V N 4.137 124.157 119.914 0.177 0.000 2.378 129 V HA 0.388 4.514 4.120 0.010 0.000 0.288 129 V C 0.835 177.043 176.094 0.190 0.000 1.016 129 V CA -0.820 61.564 62.300 0.141 0.000 0.840 129 V CB 1.376 33.264 31.823 0.108 0.000 0.994 129 V HN 0.986 9.176 8.190 -0.000 0.000 0.431 130 G N 3.261 112.143 108.800 0.137 0.000 2.664 130 G HA2 0.456 4.422 3.960 0.010 0.000 0.242 130 G HA3 0.456 4.422 3.960 0.010 0.000 0.242 130 G C 0.443 175.437 174.900 0.157 0.000 1.225 130 G CA 0.163 45.347 45.100 0.140 0.000 0.849 130 G HN 1.176 9.466 8.290 -0.000 0.000 0.581 131 A N -0.430 122.490 122.820 0.166 0.000 2.531 131 A HA 0.516 4.842 4.320 0.010 0.000 0.236 131 A C 1.670 179.324 177.584 0.116 0.000 1.062 131 A CA 1.164 53.289 52.037 0.148 0.000 0.760 131 A CB -0.360 18.725 19.000 0.141 0.000 0.995 131 A HN 2.648 10.798 8.150 -0.000 0.000 0.501 132 G N 0.581 109.449 108.800 0.112 0.000 2.153 132 G HA2 -0.243 3.722 3.960 0.010 0.000 0.252 132 G HA3 -0.243 3.722 3.960 0.010 0.000 0.252 132 G C 0.372 175.346 174.900 0.124 0.000 0.994 132 G CA 0.201 45.367 45.100 0.110 0.000 0.698 132 G HN 1.077 9.367 8.290 -0.000 0.000 0.521 133 C N -0.173 119.203 119.300 0.127 0.000 2.605 133 C HA 0.524 4.989 4.460 0.010 0.000 0.404 133 C C 1.086 176.181 174.990 0.176 0.000 1.284 133 C CA -0.317 58.781 59.018 0.134 0.000 2.199 133 C CB 1.121 28.927 27.740 0.109 0.000 2.647 133 C HN 0.421 8.651 8.230 -0.000 0.000 0.604 134 V N 4.711 124.742 119.914 0.195 0.000 2.304 134 V HA 0.266 4.392 4.120 0.010 0.000 0.278 134 V C -0.107 176.057 176.094 0.117 0.000 1.018 134 V CA -0.216 62.241 62.300 0.262 0.000 0.814 134 V CB 1.006 33.015 31.823 0.309 0.000 1.021 134 V HN 0.703 8.893 8.190 -0.000 0.000 0.440 135 V N 6.192 126.206 119.914 0.167 0.000 2.407 135 V HA 0.439 4.565 4.120 0.010 0.000 0.278 135 V C 0.475 176.631 176.094 0.103 0.000 1.037 135 V CA -0.357 61.960 62.300 0.028 0.000 0.900 135 V CB 1.490 33.326 31.823 0.021 0.000 0.983 135 V HN 0.675 8.865 8.190 -0.000 0.000 0.459 136 M N 3.882 123.455 119.600 -0.044 0.000 2.297 136 M HA 0.555 5.041 4.480 0.010 0.000 0.211 136 M C -0.071 176.248 176.300 0.032 0.000 0.897 136 M CA -0.320 54.994 55.300 0.023 0.000 1.820 136 M CB 0.106 32.637 32.600 -0.115 0.000 1.104 136 M HN 0.343 8.633 8.290 -0.000 0.000 0.886 137 M N 0.678 120.292 119.600 0.024 0.000 2.318 137 M HA 0.267 4.753 4.480 0.010 0.000 0.347 137 M C -0.075 176.358 176.300 0.222 0.000 1.175 137 M CA 0.008 55.379 55.300 0.119 0.000 1.075 137 M CB -0.399 32.248 32.600 0.077 0.000 1.614 137 M HN 0.562 8.852 8.290 -0.000 0.000 0.456 138 H N -0.759 118.354 119.070 0.072 0.000 2.819 138 H HA -0.076 4.486 4.556 0.010 0.000 0.315 138 H C -1.059 174.289 175.328 0.034 0.000 1.242 138 H CA -0.258 55.826 56.048 0.060 0.000 1.157 138 H CB -1.223 28.576 29.762 0.061 0.000 1.451 138 H HN 0.427 8.707 8.280 -0.000 0.000 0.430 139 V N 1.623 121.603 119.914 0.111 0.000 2.581 139 V HA 0.368 4.494 4.120 0.010 0.000 0.303 139 V C 0.143 176.264 176.094 0.046 0.000 1.041 139 V CA -0.799 61.537 62.300 0.061 0.000 0.907 139 V CB 2.112 33.953 31.823 0.030 0.000 0.994 139 V HN 0.185 8.375 8.190 -0.000 0.000 0.442 140 L N 6.209 127.457 121.223 0.042 0.000 2.313 140 L HA 0.676 5.022 4.340 0.010 0.000 0.283 140 L C -0.744 176.152 176.870 0.044 0.000 1.013 140 L CA 0.150 55.017 54.840 0.046 0.000 0.816 140 L CB 1.157 43.244 42.059 0.046 0.000 1.236 140 L HN 0.541 8.771 8.230 -0.000 0.000 0.419 141 I N 5.150 125.751 120.570 0.053 0.000 2.418 141 I HA 0.502 4.678 4.170 0.010 0.000 0.287 141 I C -0.673 175.479 176.117 0.058 0.000 1.008 141 I CA -0.362 60.965 61.300 0.045 0.000 1.104 141 I CB 1.698 39.721 38.000 0.038 0.000 1.264 141 I HN 0.622 8.832 8.210 -0.000 0.000 0.438 142 Q N 5.471 125.287 119.800 0.027 0.000 2.309 142 Q HA 0.230 4.576 4.340 0.010 0.000 0.273 142 Q C -1.328 174.629 176.000 -0.072 0.000 1.040 142 Q CA -0.495 55.298 55.803 -0.015 0.000 0.834 142 Q CB 1.902 30.670 28.738 0.050 0.000 1.345 142 Q HN 0.679 8.949 8.270 -0.000 0.000 0.414 143 D N 0.255 120.562 120.400 -0.154 0.000 2.870 143 D HA -0.161 4.485 4.640 0.010 0.000 0.228 143 D C -0.452 175.802 176.300 -0.076 0.000 1.147 143 D CA 1.407 55.325 54.000 -0.138 0.000 0.757 143 D CB -1.774 38.954 40.800 -0.120 0.000 1.091 143 D HN 0.431 8.801 8.370 -0.000 0.000 0.429 144 V N -3.697 116.183 119.914 -0.056 0.000 3.181 144 V HA 0.711 4.836 4.120 0.010 0.000 0.308 144 V C -0.535 175.548 176.094 -0.018 0.000 1.214 144 V CA -1.033 61.250 62.300 -0.030 0.000 1.053 144 V CB 2.888 34.702 31.823 -0.015 0.000 1.069 144 V HN 0.027 8.217 8.190 -0.000 0.000 0.441 145 E N 1.861 122.054 120.200 -0.012 0.000 2.145 145 E HA 0.519 4.875 4.350 0.010 0.000 0.270 145 E C -1.261 175.344 176.600 0.008 0.000 0.906 145 E CA -0.859 55.538 56.400 -0.004 0.000 0.761 145 E CB 1.534 31.222 29.700 -0.019 0.000 1.116 145 E HN 0.709 9.069 8.360 -0.000 0.000 0.408 146 I N 6.186 126.771 120.570 0.025 0.000 2.325 146 I HA 0.268 4.444 4.170 0.010 0.000 0.291 146 I C -2.068 174.072 176.117 0.037 0.000 1.019 146 I CA -2.584 58.736 61.300 0.033 0.000 1.302 146 I CB 0.507 38.533 38.000 0.044 0.000 1.401 146 I HN 0.405 8.615 8.210 -0.000 0.000 0.485 147 P HA 0.105 4.525 4.420 -0.000 0.000 0.269 147 P C -2.461 174.868 177.300 0.049 0.000 1.217 147 P CA -0.736 62.383 63.100 0.031 0.000 0.783 147 P CB -0.395 31.322 31.700 0.028 0.000 0.898 148 P HA 0.084 4.504 4.420 -0.000 0.000 0.269 148 P C 0.613 177.954 177.300 0.068 0.000 1.209 148 P CA 0.874 64.013 63.100 0.065 0.000 0.776 148 P CB 0.097 31.831 31.700 0.057 0.000 0.876 149 G N 0.403 109.253 108.800 0.082 0.000 2.246 149 G HA2 -0.206 3.760 3.960 0.010 0.000 0.273 149 G HA3 -0.206 3.760 3.960 0.010 0.000 0.273 149 G C -0.078 174.880 174.900 0.097 0.000 1.055 149 G CA -0.116 45.036 45.100 0.087 0.000 0.851 149 G HN 0.461 8.751 8.290 -0.000 0.000 0.500 150 K N -0.891 119.573 120.400 0.107 0.000 2.156 150 K HA 0.580 4.906 4.320 0.010 0.000 0.250 150 K C -0.721 175.982 176.600 0.170 0.000 0.955 150 K CA -1.058 55.302 56.287 0.120 0.000 0.855 150 K CB 1.851 34.403 32.500 0.086 0.000 1.101 150 K HN 0.242 8.492 8.250 -0.000 0.000 0.434 151 Y N 0.696 121.023 120.300 0.045 0.000 2.352 151 Y HA 0.356 4.912 4.550 0.010 0.000 0.339 151 Y C -0.846 175.079 175.900 0.041 0.000 0.992 151 Y CA -0.762 57.365 58.100 0.044 0.000 1.100 151 Y CB 1.231 39.705 38.460 0.022 0.000 1.192 151 Y HN 0.170 8.450 8.280 -0.000 0.000 0.458 152 V N 8.818 128.437 119.914 -0.491 0.000 2.350 152 V HA 0.368 4.494 4.120 0.010 0.000 0.285 152 V C -2.262 173.495 176.094 -0.561 0.000 1.014 152 V CA -2.186 59.907 62.300 -0.344 0.000 0.831 152 V CB 1.031 32.761 31.823 -0.155 0.000 1.000 152 V HN 0.731 8.921 8.190 -0.000 0.000 0.433 153 P HA 0.100 4.520 4.420 -0.000 0.000 0.268 153 P C 0.116 177.359 177.300 -0.094 0.000 1.208 153 P CA 0.187 63.205 63.100 -0.137 0.000 0.777 153 P CB 0.409 32.138 31.700 0.050 0.000 0.875 154 S N 1.125 116.794 115.700 -0.051 0.000 2.549 154 S HA 0.342 4.818 4.470 0.010 0.000 0.286 154 S C 1.516 176.122 174.600 0.009 0.000 1.314 154 S CA 1.065 59.253 58.200 -0.020 0.000 1.062 154 S CB -0.455 62.729 63.200 -0.027 0.000 0.865 154 S HN 0.909 9.219 8.310 -0.000 0.000 0.498 155 G N 2.419 111.248 108.800 0.047 0.000 2.176 155 G HA2 -0.236 3.730 3.960 0.010 0.000 0.253 155 G HA3 -0.236 3.730 3.960 0.010 0.000 0.253 155 G C 0.116 175.046 174.900 0.050 0.000 0.979 155 G CA -0.133 45.008 45.100 0.067 0.000 0.641 155 G HN 0.577 8.867 8.290 -0.000 0.000 0.530 156 M N 0.900 120.518 119.600 0.031 0.000 2.219 156 M HA 0.366 4.852 4.480 0.010 0.000 0.353 156 M C 0.282 176.600 176.300 0.030 0.000 1.304 156 M CA 0.300 55.614 55.300 0.023 0.000 1.115 156 M CB 1.347 33.951 32.600 0.007 0.000 1.664 156 M HN -0.056 8.234 8.290 -0.000 0.000 0.459 157 V N 6.390 126.321 119.914 0.029 0.000 2.257 157 V HA 0.337 4.463 4.120 0.010 0.000 0.269 157 V C -0.039 176.069 176.094 0.024 0.000 1.040 157 V CA -0.320 61.998 62.300 0.030 0.000 0.813 157 V CB 0.119 31.961 31.823 0.031 0.000 1.065 157 V HN 0.662 8.852 8.190 -0.000 0.000 0.457 158 I N 4.777 125.361 120.570 0.023 0.000 2.291 158 I HA 0.291 4.467 4.170 0.010 0.000 0.290 158 I C 1.157 177.283 176.117 0.015 0.000 1.050 158 I CA 0.082 61.392 61.300 0.017 0.000 1.245 158 I CB 1.477 39.486 38.000 0.015 0.000 1.405 158 I HN 0.684 8.894 8.210 -0.000 0.000 0.478 159 T N -0.545 114.015 114.554 0.010 0.000 3.058 159 T HA 0.130 4.486 4.350 0.010 0.000 0.278 159 T C 0.489 175.185 174.700 -0.006 0.000 0.974 159 T CA -0.125 61.977 62.100 0.003 0.000 0.893 159 T CB 0.195 69.069 68.868 0.010 0.000 1.138 159 T HN 0.548 8.788 8.240 -0.000 0.000 0.529 160 T N -0.873 113.679 114.554 -0.003 0.000 2.876 160 T HA 0.513 4.869 4.350 0.010 0.000 0.289 160 T C 0.652 175.349 174.700 -0.005 0.000 1.014 160 T CA -0.632 61.464 62.100 -0.006 0.000 0.986 160 T CB 2.492 71.359 68.868 -0.002 0.000 1.021 160 T HN -0.133 8.107 8.240 -0.000 0.000 0.458 161 Q N 1.047 120.841 119.800 -0.009 0.000 2.170 161 Q HA -0.130 4.216 4.340 0.010 0.000 0.203 161 Q C 2.073 178.072 176.000 -0.002 0.000 0.976 161 Q CA 1.899 57.698 55.803 -0.007 0.000 0.858 161 Q CB -0.543 28.188 28.738 -0.011 0.000 0.907 161 Q HN 0.831 9.101 8.270 -0.000 0.000 0.433 162 Q N -0.209 119.590 119.800 -0.001 0.000 2.112 162 Q HA -0.220 4.126 4.340 0.010 0.000 0.206 162 Q C 2.073 178.077 176.000 0.006 0.000 0.987 162 Q CA 2.093 57.898 55.803 0.002 0.000 0.858 162 Q CB -0.145 28.594 28.738 0.002 0.000 0.905 162 Q HN 0.530 8.800 8.270 -0.000 0.000 0.420 163 Q N -0.640 119.164 119.800 0.007 0.000 2.049 163 Q HA -0.029 4.317 4.340 0.010 0.000 0.198 163 Q C 2.094 178.103 176.000 0.013 0.000 0.971 163 Q CA 1.169 56.978 55.803 0.011 0.000 0.833 163 Q CB -0.212 28.532 28.738 0.011 0.000 0.896 163 Q HN 0.452 8.722 8.270 -0.000 0.000 0.434 164 A N 1.109 123.935 122.820 0.011 0.000 2.067 164 A HA -0.171 4.155 4.320 0.010 0.000 0.219 164 A C 1.244 178.837 177.584 0.016 0.000 1.158 164 A CA 1.452 53.498 52.037 0.014 0.000 0.661 164 A CB -0.144 18.861 19.000 0.009 0.000 0.801 164 A HN 0.200 8.350 8.150 -0.000 0.000 0.452 165 D N -0.827 119.581 120.400 0.013 0.000 2.355 165 D HA 0.027 4.673 4.640 0.010 0.000 0.218 165 D C 0.791 177.101 176.300 0.017 0.000 1.004 165 D CA 0.417 54.425 54.000 0.013 0.000 0.880 165 D CB 0.115 40.919 40.800 0.007 0.000 0.911 165 D HN 0.157 8.527 8.370 -0.000 0.000 0.528 166 R N 0.517 121.029 120.500 0.020 0.000 2.767 166 R HA 0.310 4.656 4.340 0.010 0.000 0.377 166 R C -0.222 176.098 176.300 0.034 0.000 1.151 166 R CA -0.260 55.854 56.100 0.024 0.000 1.046 166 R CB 0.333 30.645 30.300 0.020 0.000 1.404 166 R HN 0.124 8.394 8.270 -0.000 0.000 0.580 167 L N 2.513 123.761 121.223 0.041 0.000 2.325 167 L HA 0.457 4.803 4.340 0.010 0.000 0.279 167 L C -1.767 175.145 176.870 0.071 0.000 1.054 167 L CA -1.923 52.953 54.840 0.060 0.000 0.804 167 L CB 1.181 43.275 42.059 0.059 0.000 1.200 167 L HN -0.104 8.126 8.230 -0.000 0.000 0.436 168 P HA 0.110 4.530 4.420 -0.000 0.000 0.274 168 P C -1.153 176.206 177.300 0.097 0.000 1.237 168 P CA -0.589 62.561 63.100 0.083 0.000 0.793 168 P CB 0.547 32.296 31.700 0.083 0.000 0.977 169 N N 0.101 118.838 118.700 0.061 0.000 2.518 169 N HA 0.111 4.857 4.740 0.010 0.000 0.266 169 N C 0.123 175.669 175.510 0.060 0.000 1.196 169 N CA -0.253 52.834 53.050 0.062 0.000 0.947 169 N CB 0.207 38.716 38.487 0.036 0.000 1.098 169 N HN 0.252 8.632 8.380 -0.000 0.000 0.450 170 V N -0.537 119.432 119.914 0.091 0.000 2.901 170 V HA 0.095 4.221 4.120 0.010 0.000 0.307 170 V C 0.705 176.802 176.094 0.005 0.000 1.084 170 V CA -0.141 62.206 62.300 0.077 0.000 1.184 170 V CB 0.436 32.333 31.823 0.124 0.000 0.941 170 V HN 0.440 8.630 8.190 -0.000 0.000 0.493 171 E N 2.454 122.625 120.200 -0.049 0.000 2.254 171 E HA 0.174 4.530 4.350 0.010 0.000 0.261 171 E C 1.187 177.783 176.600 -0.007 0.000 1.051 171 E CA -0.180 56.189 56.400 -0.051 0.000 0.902 171 E CB 1.137 30.771 29.700 -0.109 0.000 1.168 171 E HN 0.914 9.274 8.360 -0.000 0.000 0.423 172 E N 0.957 121.156 120.200 -0.002 0.000 2.085 172 E HA -0.205 4.150 4.350 0.010 0.000 0.194 172 E C 1.370 178.000 176.600 0.050 0.000 0.994 172 E CA 1.935 58.350 56.400 0.025 0.000 0.801 172 E CB -0.035 29.673 29.700 0.013 0.000 0.743 172 E HN 0.380 8.740 8.360 -0.000 0.000 0.453 173 S N 1.061 116.774 115.700 0.022 0.000 2.399 173 S HA -0.167 4.308 4.470 0.010 0.000 0.231 173 S C 1.550 176.214 174.600 0.106 0.000 1.022 173 S CA 1.395 59.623 58.200 0.047 0.000 0.983 173 S CB -0.259 62.929 63.200 -0.019 0.000 0.803 173 S HN 0.238 8.548 8.310 -0.000 0.000 0.480 174 D N 1.769 122.207 120.400 0.063 0.000 2.144 174 D HA 0.053 4.699 4.640 0.010 0.000 0.200 174 D C 1.935 178.349 176.300 0.189 0.000 0.978 174 D CA 1.025 55.100 54.000 0.126 0.000 0.833 174 D CB -0.303 40.557 40.800 0.100 0.000 0.961 174 D HN 0.469 8.839 8.370 -0.000 0.000 0.470 175 I N 0.398 121.050 120.570 0.137 0.000 2.252 175 I HA -0.262 3.914 4.170 0.010 0.000 0.245 175 I C 2.466 178.648 176.117 0.109 0.000 1.102 175 I CA 1.047 62.416 61.300 0.115 0.000 1.385 175 I CB -0.260 37.796 38.000 0.094 0.000 1.064 175 I HN 0.034 8.244 8.210 -0.000 0.000 0.414 176 H N 0.861 119.976 119.070 0.074 0.000 2.357 176 H HA -0.262 4.300 4.556 0.010 0.000 0.301 176 H C 2.069 177.454 175.328 0.095 0.000 1.082 176 H CA 1.872 57.962 56.048 0.069 0.000 1.342 176 H CB -0.303 29.488 29.762 0.049 0.000 1.389 176 H HN 0.292 8.572 8.280 -0.000 0.000 0.511 177 F N 1.194 121.125 119.950 -0.031 0.000 2.091 177 F HA -0.251 4.282 4.527 0.010 0.000 0.299 177 F C 2.422 178.127 175.800 -0.159 0.000 1.103 177 F CA 1.992 59.935 58.000 -0.094 0.000 1.228 177 F CB -1.007 37.934 39.000 -0.099 0.000 0.984 177 F HN 0.278 8.578 8.300 -0.000 0.000 0.477 178 A N 0.743 123.386 122.820 -0.296 0.000 1.902 178 A HA -0.232 4.094 4.320 0.010 0.000 0.217 178 A C 2.228 179.680 177.584 -0.221 0.000 1.181 178 A CA 1.716 53.568 52.037 -0.309 0.000 0.623 178 A CB -1.072 17.917 19.000 -0.018 0.000 0.818 178 A HN 0.736 8.886 8.150 -0.000 0.000 0.443 179 Q N -1.380 118.310 119.800 -0.183 0.000 2.230 179 Q HA -0.195 4.151 4.340 0.010 0.000 0.202 179 Q C 1.977 177.869 176.000 -0.181 0.000 0.963 179 Q CA 1.320 57.038 55.803 -0.142 0.000 0.866 179 Q CB -0.722 27.965 28.738 -0.086 0.000 0.931 179 Q HN 0.873 9.143 8.270 -0.000 0.000 0.452 180 H N 1.115 119.938 119.070 -0.412 0.000 2.321 180 H HA -0.101 4.461 4.556 0.010 0.000 0.300 180 H C 1.958 177.163 175.328 -0.204 0.000 1.087 180 H CA 1.867 57.720 56.048 -0.324 0.000 1.319 180 H CB 0.377 29.914 29.762 -0.375 0.000 1.379 180 H HN 0.207 8.487 8.280 -0.000 0.000 0.501 181 V N 0.738 120.447 119.914 -0.342 0.000 2.392 181 V HA -0.231 3.895 4.120 0.010 0.000 0.249 181 V C 2.909 178.901 176.094 -0.169 0.000 1.059 181 V CA 1.385 63.527 62.300 -0.264 0.000 1.051 181 V CB -0.629 31.094 31.823 -0.167 0.000 0.658 181 V HN 0.252 8.442 8.190 -0.000 0.000 0.455 182 V N 1.091 120.925 119.914 -0.133 0.000 2.295 182 V HA -0.190 3.936 4.120 0.010 0.000 0.246 182 V C 2.659 178.698 176.094 -0.092 0.000 1.049 182 V CA 2.306 64.559 62.300 -0.077 0.000 1.024 182 V CB -1.402 30.389 31.823 -0.053 0.000 0.648 182 V HN 0.608 8.798 8.190 -0.000 0.000 0.447 183 G N -0.190 108.531 108.800 -0.131 0.000 2.422 183 G HA2 -0.190 3.776 3.960 0.010 0.000 0.218 183 G HA3 -0.190 3.776 3.960 0.010 0.000 0.218 183 G C 1.513 176.328 174.900 -0.142 0.000 1.146 183 G CA 0.697 45.724 45.100 -0.121 0.000 0.769 183 G HN 0.369 8.659 8.290 -0.000 0.000 0.547 184 I N 1.514 121.948 120.570 -0.227 0.000 2.226 184 I HA -0.143 4.032 4.170 0.010 0.000 0.245 184 I C 2.271 178.335 176.117 -0.088 0.000 1.100 184 I CA 1.090 62.276 61.300 -0.190 0.000 1.374 184 I CB -0.756 37.084 38.000 -0.266 0.000 1.057 184 I HN 0.205 8.415 8.210 -0.000 0.000 0.413 185 N N 0.565 119.238 118.700 -0.045 0.000 2.270 185 N HA -0.145 4.601 4.740 0.010 0.000 0.181 185 N C 1.653 177.143 175.510 -0.035 0.000 1.016 185 N CA 0.845 53.913 53.050 0.030 0.000 0.870 185 N CB 0.055 38.631 38.487 0.148 0.000 0.979 185 N HN 0.496 8.876 8.380 -0.000 0.000 0.431 186 E N 1.273 121.448 120.200 -0.041 0.000 2.051 186 E HA -0.124 4.232 4.350 0.010 0.000 0.192 186 E C 2.074 178.623 176.600 -0.084 0.000 0.991 186 E CA 1.101 57.469 56.400 -0.053 0.000 0.799 186 E CB -0.084 29.563 29.700 -0.088 0.000 0.748 186 E HN 0.299 8.659 8.360 -0.000 0.000 0.449 187 A N 1.350 124.112 122.820 -0.096 0.000 1.883 187 A HA -0.201 4.125 4.320 0.010 0.000 0.217 187 A C 2.226 179.721 177.584 -0.149 0.000 1.186 187 A CA 1.230 53.204 52.037 -0.106 0.000 0.624 187 A CB -0.768 18.178 19.000 -0.091 0.000 0.822 187 A HN 0.142 8.292 8.150 -0.000 0.000 0.444 188 L N -0.959 120.165 121.223 -0.165 0.000 2.012 188 L HA -0.201 4.145 4.340 0.010 0.000 0.210 188 L C 2.665 179.363 176.870 -0.287 0.000 1.073 188 L CA 1.632 56.330 54.840 -0.237 0.000 0.748 188 L CB -0.536 41.434 42.059 -0.148 0.000 0.891 188 L HN 0.577 8.807 8.230 -0.000 0.000 0.431 189 L N -0.314 120.730 121.223 -0.299 0.000 2.013 189 L HA -0.281 4.065 4.340 0.010 0.000 0.212 189 L C 2.817 179.605 176.870 -0.136 0.000 1.073 189 L CA 2.113 56.836 54.840 -0.194 0.000 0.753 189 L CB -0.223 41.811 42.059 -0.042 0.000 0.890 189 L HN 0.399 8.629 8.230 -0.000 0.000 0.432 190 S N -0.569 115.069 115.700 -0.103 0.000 2.368 190 S HA -0.104 4.372 4.470 0.010 0.000 0.225 190 S C 2.052 176.567 174.600 -0.142 0.000 1.030 190 S CA 0.776 58.928 58.200 -0.079 0.000 0.999 190 S CB -1.535 61.632 63.200 -0.055 0.000 0.844 190 S HN 0.580 8.890 8.310 -0.000 0.000 0.459 191 G N 0.532 109.200 108.800 -0.220 0.000 2.440 191 G HA2 -0.178 3.788 3.960 0.010 0.000 0.218 191 G HA3 -0.178 3.788 3.960 0.010 0.000 0.218 191 G C 1.198 175.889 174.900 -0.348 0.000 1.154 191 G CA 0.905 45.830 45.100 -0.291 0.000 0.767 191 G HN 0.553 8.843 8.290 -0.000 0.000 0.552 192 Y N 0.776 120.847 120.300 -0.381 0.000 2.293 192 Y HA -0.055 4.501 4.550 0.011 0.000 0.291 192 Y C 3.139 178.731 175.900 -0.513 0.000 1.137 192 Y CA 1.363 59.093 58.100 -0.617 0.000 1.202 192 Y CB -0.309 37.358 38.460 -1.320 0.000 0.990 192 Y HN 0.274 8.554 8.280 -0.000 0.000 0.537 193 Q N -1.649 118.017 119.800 -0.224 0.000 2.119 193 Q HA -0.192 4.154 4.340 0.010 0.000 0.201 193 Q C 2.539 178.523 176.000 -0.026 0.000 0.972 193 Q CA 1.428 57.205 55.803 -0.044 0.000 0.847 193 Q CB -0.551 28.195 28.738 0.014 0.000 0.903 193 Q HN 0.558 8.828 8.270 -0.000 0.000 0.433 194 c N 0.534 119.097 118.600 -0.062 0.000 2.429 194 c HA -0.091 4.485 4.570 0.010 0.000 0.277 194 c C 2.786 176.856 174.090 -0.033 0.000 1.262 194 c CA 1.141 57.442 56.329 -0.046 0.000 1.733 194 c CB -0.939 41.530 42.510 -0.068 0.000 2.010 194 c HN 0.587 8.817 8.230 -0.000 0.000 0.483 195 A N -0.224 122.570 122.820 -0.044 0.000 2.067 195 A HA -0.078 4.248 4.320 0.010 0.000 0.219 195 A C 2.044 179.642 177.584 0.023 0.000 1.158 195 A CA 1.425 53.455 52.037 -0.012 0.000 0.661 195 A CB -0.461 18.535 19.000 -0.007 0.000 0.801 195 A HN 0.752 8.902 8.150 -0.000 0.000 0.452 196 E N -0.037 120.185 120.200 0.037 0.000 2.481 196 E HA -0.013 4.343 4.350 0.010 0.000 0.195 196 E C -0.049 176.572 176.600 0.036 0.000 1.047 196 E CA 0.029 56.463 56.400 0.058 0.000 0.867 196 E CB -0.012 29.747 29.700 0.099 0.000 0.858 196 E HN 0.540 8.900 8.360 -0.000 0.000 0.513 197 N N 1.031 119.744 118.700 0.021 0.000 2.442 197 N HA 0.065 4.811 4.740 0.010 0.000 0.274 197 N C 0.590 176.104 175.510 0.007 0.000 1.002 197 N CA -0.168 52.891 53.050 0.014 0.000 0.910 197 N CB 1.380 39.873 38.487 0.011 0.000 1.244 197 N HN -0.114 8.266 8.380 -0.000 0.000 0.492 198 I N 4.547 125.122 120.570 0.008 0.000 2.264 198 I HA -0.208 3.968 4.170 0.010 0.000 0.248 198 I C 2.129 178.247 176.117 0.001 0.000 1.111 198 I CA 1.528 62.831 61.300 0.005 0.000 1.382 198 I CB -0.139 37.864 38.000 0.005 0.000 1.060 198 I HN 0.719 8.929 8.210 -0.000 0.000 0.418 199 A N -1.142 121.679 122.820 0.001 0.000 1.933 199 A HA -0.262 4.063 4.320 0.010 0.000 0.218 199 A C 2.540 180.122 177.584 -0.004 0.000 1.175 199 A CA 1.783 53.819 52.037 -0.001 0.000 0.628 199 A CB -1.464 17.536 19.000 0.001 0.000 0.814 199 A HN 0.616 8.766 8.150 -0.000 0.000 0.444 200 c N -1.468 117.129 118.600 -0.005 0.000 2.544 200 c HA 0.115 4.690 4.570 0.010 0.000 0.280 200 c C 2.376 176.457 174.090 -0.015 0.000 1.295 200 c CA 1.063 57.385 56.329 -0.011 0.000 1.702 200 c CB -0.952 41.549 42.510 -0.014 0.000 2.090 200 c HN 0.582 8.812 8.230 -0.000 0.000 0.493 201 I N 1.284 121.846 120.570 -0.013 0.000 2.617 201 I HA 0.128 4.304 4.170 0.010 0.000 0.256 201 I C 2.379 178.490 176.117 -0.011 0.000 1.167 201 I CA 1.390 62.680 61.300 -0.016 0.000 1.469 201 I CB -0.381 37.611 38.000 -0.012 0.000 1.098 201 I HN 0.337 8.547 8.210 -0.000 0.000 0.436 202 A N 1.344 124.160 122.820 -0.007 0.000 1.858 202 A HA -0.042 4.284 4.320 0.010 0.000 0.216 202 A C 0.079 177.659 177.584 -0.007 0.000 1.190 202 A CA 1.675 53.709 52.037 -0.005 0.000 0.617 202 A CB -2.107 16.892 19.000 -0.003 0.000 0.827 202 A HN 0.337 8.487 8.150 -0.000 0.000 0.443 203 P HA -0.114 4.306 4.420 -0.000 0.000 0.218 203 P C 1.261 178.555 177.300 -0.011 0.000 1.148 203 P CA 0.943 64.038 63.100 -0.009 0.000 0.822 203 P CB -0.116 31.578 31.700 -0.009 0.000 0.784 204 I N -1.132 119.429 120.570 -0.015 0.000 2.406 204 I HA -0.130 4.046 4.170 0.010 0.000 0.249 204 I C 2.655 178.763 176.117 -0.015 0.000 1.122 204 I CA 0.986 62.276 61.300 -0.018 0.000 1.431 204 I CB -0.378 37.606 38.000 -0.026 0.000 1.087 204 I HN -0.151 8.059 8.210 -0.000 0.000 0.424 205 R N 1.358 121.850 120.500 -0.013 0.000 2.148 205 R HA -0.086 4.260 4.340 0.010 0.000 0.227 205 R C 1.874 178.170 176.300 -0.007 0.000 1.103 205 R CA 1.173 57.267 56.100 -0.010 0.000 0.983 205 R CB -0.141 30.154 30.300 -0.007 0.000 0.874 205 R HN 0.452 8.722 8.270 -0.000 0.000 0.451 206 N N 0.135 118.831 118.700 -0.007 0.000 2.331 206 N HA -0.095 4.650 4.740 0.010 0.000 0.180 206 N C -0.086 175.420 175.510 -0.006 0.000 1.019 206 N CA 0.569 53.616 53.050 -0.005 0.000 0.881 206 N CB 0.173 38.657 38.487 -0.005 0.000 0.972 206 N HN 0.391 8.771 8.380 -0.000 0.000 0.435 207 E N 0.000 120.196 120.200 -0.007 0.000 2.725 207 E HA 0.000 4.356 4.350 0.010 0.000 0.291 207 E CA 0.000 56.396 56.400 -0.007 0.000 0.976 207 E CB 0.000 29.695 29.700 -0.009 0.000 0.812 207 E HN 0.000 8.360 8.360 -0.000 0.000 0.440