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 2b35_1_D DATA FIRST_RESID 2 DATA SEQUENCE TGLLDGKRIL VSGIITDSSI AFHIARVAQE QGAQLVLTGF DRLRLIQRIT DATA SEQUENCE DRLPAKAPLL ELDVQNEEHL ASLAGRVTEA IGAGNKLDGV VHSIGFMPQT DATA SEQUENCE GMGINPFFDA PYADVSKGIH ISAYSYASMA KALLPIMNPG GSIVGMDFDP DATA SEQUENCE SRAMPAYNWM TVAKSALESV NRFVAREAGK YGVRSNLVAA GPIRTLAMXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXEG WDQRAPIGWN MKDATPVAKT VCALLSDWLP DATA SEQUENCE ATTGDIIYAD GGAHTQLL 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 2 T HA 0.000 4.350 4.350 0.000 0.000 0.228 2 T C 0.000 174.719 174.700 0.031 0.000 1.109 2 T CA 0.000 62.118 62.100 0.030 0.000 1.349 2 T CB 0.000 68.893 68.868 0.042 0.000 0.612 3 G N -0.124 108.702 108.800 0.044 0.000 2.755 3 G HA2 0.560 4.521 3.960 0.002 0.000 0.297 3 G HA3 0.560 4.521 3.960 0.002 0.000 0.297 3 G C 0.170 175.112 174.900 0.071 0.000 1.441 3 G CA -0.389 44.738 45.100 0.045 0.000 0.964 3 G HN 0.816 9.106 8.290 0.000 0.000 0.540 4 L N 0.878 122.148 121.223 0.078 0.000 2.127 4 L HA 0.044 4.385 4.340 0.002 0.000 0.211 4 L C 1.166 178.108 176.870 0.121 0.000 1.089 4 L CA 1.336 56.251 54.840 0.125 0.000 0.757 4 L CB 0.002 42.124 42.059 0.104 0.000 0.899 4 L HN 0.393 8.623 8.230 0.000 0.000 0.434 5 L N -0.105 121.164 121.223 0.076 0.000 2.965 5 L HA 0.265 4.606 4.340 0.002 0.000 0.254 5 L C -0.216 176.678 176.870 0.039 0.000 1.220 5 L CA -0.340 54.534 54.840 0.056 0.000 1.023 5 L CB -0.391 41.694 42.059 0.043 0.000 1.355 5 L HN -0.027 8.203 8.230 0.000 0.000 0.545 6 D N 0.811 121.237 120.400 0.044 0.000 2.472 6 D HA 0.372 5.013 4.640 0.002 0.000 0.248 6 D C 1.435 177.749 176.300 0.023 0.000 1.174 6 D CA 1.404 55.422 54.000 0.031 0.000 0.883 6 D CB 0.995 41.817 40.800 0.036 0.000 1.149 6 D HN 0.406 8.776 8.370 0.000 0.000 0.488 7 G N 2.863 111.671 108.800 0.014 0.000 2.217 7 G HA2 -0.280 3.681 3.960 0.002 0.000 0.246 7 G HA3 -0.280 3.681 3.960 0.002 0.000 0.246 7 G C 0.325 175.228 174.900 0.005 0.000 0.990 7 G CA -0.110 44.995 45.100 0.008 0.000 0.627 7 G HN 0.494 8.784 8.290 0.000 0.000 0.522 8 K N 0.960 121.364 120.400 0.008 0.000 2.258 8 K HA 0.466 4.787 4.320 0.002 0.000 0.284 8 K C 0.247 176.848 176.600 0.002 0.000 1.051 8 K CA -0.519 55.771 56.287 0.005 0.000 0.923 8 K CB 1.024 33.531 32.500 0.011 0.000 1.046 8 K HN 0.169 8.419 8.250 0.000 0.000 0.474 9 R N 3.338 123.837 120.500 -0.001 0.000 2.196 9 R HA 0.324 4.665 4.340 0.002 0.000 0.340 9 R C -0.410 175.887 176.300 -0.005 0.000 1.043 9 R CA -0.249 55.848 56.100 -0.005 0.000 0.883 9 R CB 0.313 30.609 30.300 -0.007 0.000 1.078 9 R HN 0.459 8.729 8.270 0.000 0.000 0.462 10 I N 4.202 124.770 120.570 -0.004 0.000 2.418 10 I HA 0.222 4.393 4.170 0.002 0.000 0.287 10 I C -0.151 175.963 176.117 -0.005 0.000 1.008 10 I CA -0.748 60.551 61.300 -0.002 0.000 1.104 10 I CB 1.935 39.939 38.000 0.005 0.000 1.264 10 I HN 0.414 8.624 8.210 0.000 0.000 0.438 11 L N 7.657 128.876 121.223 -0.006 0.000 2.416 11 L HA 0.501 4.842 4.340 0.002 0.000 0.272 11 L C -0.997 175.875 176.870 0.003 0.000 1.161 11 L CA -0.054 54.783 54.840 -0.006 0.000 0.845 11 L CB 0.830 42.884 42.059 -0.010 0.000 1.119 11 L HN 0.380 8.610 8.230 0.000 0.000 0.464 12 V N 4.436 124.350 119.914 -0.000 0.000 2.638 12 V HA 0.526 4.647 4.120 0.002 0.000 0.306 12 V C -0.246 175.851 176.094 0.005 0.000 1.052 12 V CA -0.263 62.041 62.300 0.006 0.000 0.885 12 V CB 2.003 33.825 31.823 -0.003 0.000 0.999 12 V HN 0.969 9.159 8.190 0.000 0.000 0.424 13 S N 2.366 118.069 115.700 0.005 0.000 2.677 13 S HA 0.912 5.383 4.470 0.002 0.000 0.304 13 S C 0.653 175.249 174.600 -0.007 0.000 1.108 13 S CA 0.134 58.327 58.200 -0.012 0.000 0.944 13 S CB 2.027 65.196 63.200 -0.052 0.000 1.127 13 S HN 2.207 10.517 8.310 0.000 0.000 0.511 14 G N 0.155 108.951 108.800 -0.007 0.000 2.213 14 G HA2 -0.193 3.768 3.960 0.002 0.000 0.226 14 G HA3 -0.193 3.768 3.960 0.002 0.000 0.226 14 G C 0.002 174.936 174.900 0.057 0.000 0.992 14 G CA -0.167 44.940 45.100 0.011 0.000 0.632 14 G HN 0.853 9.143 8.290 0.000 0.000 0.511 15 I N 0.988 121.599 120.570 0.068 0.000 2.662 15 I HA 0.262 4.433 4.170 0.002 0.000 0.285 15 I C 1.478 177.644 176.117 0.082 0.000 1.161 15 I CA 0.554 61.913 61.300 0.098 0.000 1.415 15 I CB 0.922 38.992 38.000 0.117 0.000 1.385 15 I HN 0.251 8.461 8.210 0.000 0.000 0.552 16 I N 4.606 125.220 120.570 0.073 0.000 4.398 16 I HA 0.062 4.232 4.170 0.002 0.000 0.310 16 I C 0.758 176.884 176.117 0.015 0.000 1.232 16 I CA 0.582 61.913 61.300 0.051 0.000 1.312 16 I CB 0.811 38.849 38.000 0.063 0.000 1.347 16 I HN 0.727 8.937 8.210 0.000 0.000 0.454 17 T N -2.929 111.622 114.554 -0.005 0.000 2.696 17 T HA 0.244 4.595 4.350 0.002 0.000 0.291 17 T C 0.247 174.823 174.700 -0.206 0.000 1.095 17 T CA 0.081 62.132 62.100 -0.081 0.000 1.026 17 T CB 0.904 69.730 68.868 -0.069 0.000 1.390 17 T HN 0.183 8.423 8.240 0.000 0.000 0.513 18 D N -0.132 120.029 120.400 -0.399 0.000 2.347 18 D HA 0.049 4.690 4.640 0.002 0.000 0.213 18 D C 1.492 177.486 176.300 -0.509 0.000 0.985 18 D CA 0.299 53.763 54.000 -0.892 0.000 0.879 18 D CB -0.159 40.144 40.800 -0.829 0.000 0.919 18 D HN 0.326 8.696 8.370 0.000 0.000 0.526 19 S N -0.278 115.319 115.700 -0.172 0.000 2.458 19 S HA 0.042 4.513 4.470 0.002 0.000 0.223 19 S C 0.764 175.451 174.600 0.145 0.000 1.019 19 S CA -0.299 57.926 58.200 0.041 0.000 0.937 19 S CB 0.060 63.267 63.200 0.012 0.000 0.788 19 S HN 0.198 8.508 8.310 0.000 0.000 0.511 20 S N 1.622 117.375 115.700 0.089 0.000 2.571 20 S HA 0.036 4.506 4.470 0.002 0.000 0.298 20 S C 1.381 176.152 174.600 0.286 0.000 1.280 20 S CA -0.000 58.289 58.200 0.149 0.000 1.052 20 S CB 0.109 63.383 63.200 0.124 0.000 0.799 20 S HN 0.299 8.609 8.310 0.000 0.000 0.501 21 I N 2.119 122.829 120.570 0.233 0.000 2.286 21 I HA -0.247 3.924 4.170 0.002 0.000 0.248 21 I C 2.505 178.774 176.117 0.253 0.000 1.115 21 I CA 1.399 62.850 61.300 0.252 0.000 1.392 21 I CB -0.604 37.487 38.000 0.152 0.000 1.065 21 I HN 0.806 9.016 8.210 0.000 0.000 0.418 22 A N 0.833 123.763 122.820 0.184 0.000 1.917 22 A HA -0.297 4.024 4.320 0.002 0.000 0.219 22 A C 2.256 179.917 177.584 0.127 0.000 1.182 22 A CA 1.716 53.833 52.037 0.134 0.000 0.633 22 A CB -1.104 17.957 19.000 0.102 0.000 0.819 22 A HN 0.488 8.638 8.150 0.000 0.000 0.448 23 F N 0.315 120.261 119.950 -0.006 0.000 2.161 23 F HA -0.234 4.294 4.527 0.002 0.000 0.300 23 F C 2.206 177.910 175.800 -0.160 0.000 1.089 23 F CA 2.425 60.354 58.000 -0.117 0.000 1.282 23 F CB -0.297 38.570 39.000 -0.223 0.000 1.010 23 F HN 0.424 8.724 8.300 0.000 0.000 0.485 24 H N -0.317 118.862 119.070 0.182 0.000 2.395 24 H HA -0.006 4.551 4.556 0.002 0.000 0.299 24 H C 2.232 177.553 175.328 -0.012 0.000 1.070 24 H CA 1.903 58.000 56.048 0.082 0.000 1.356 24 H CB -0.243 29.598 29.762 0.132 0.000 1.401 24 H HN 0.269 8.549 8.280 0.000 0.000 0.524 25 I N 0.467 121.110 120.570 0.121 0.000 2.179 25 I HA -0.277 3.894 4.170 0.002 0.000 0.242 25 I C 2.646 178.755 176.117 -0.013 0.000 1.088 25 I CA 1.092 62.429 61.300 0.061 0.000 1.357 25 I CB -0.362 37.681 38.000 0.071 0.000 1.051 25 I HN 0.313 8.523 8.210 0.000 0.000 0.409 26 A N 0.776 123.550 122.820 -0.076 0.000 1.902 26 A HA -0.243 4.078 4.320 0.002 0.000 0.217 26 A C 2.467 179.927 177.584 -0.206 0.000 1.181 26 A CA 1.794 53.746 52.037 -0.143 0.000 0.623 26 A CB -0.682 18.203 19.000 -0.192 0.000 0.818 26 A HN 0.360 8.510 8.150 0.000 0.000 0.443 27 R N -0.415 119.893 120.500 -0.321 0.000 2.080 27 R HA -0.130 4.211 4.340 0.002 0.000 0.236 27 R C 1.960 178.196 176.300 -0.106 0.000 1.137 27 R CA 2.096 58.026 56.100 -0.283 0.000 0.943 27 R CB -0.464 29.647 30.300 -0.315 0.000 0.846 27 R HN 0.303 8.573 8.270 0.000 0.000 0.431 28 V N 0.968 120.858 119.914 -0.040 0.000 2.307 28 V HA -0.180 3.941 4.120 0.002 0.000 0.245 28 V C 2.514 178.605 176.094 -0.006 0.000 1.045 28 V CA 1.778 64.079 62.300 0.001 0.000 1.024 28 V CB -0.716 31.128 31.823 0.036 0.000 0.651 28 V HN 0.575 8.765 8.190 0.000 0.000 0.449 29 A N -0.839 121.974 122.820 -0.011 0.000 1.917 29 A HA -0.352 3.969 4.320 0.002 0.000 0.219 29 A C 2.177 179.751 177.584 -0.016 0.000 1.182 29 A CA 2.370 54.404 52.037 -0.006 0.000 0.633 29 A CB -0.559 18.435 19.000 -0.009 0.000 0.819 29 A HN 0.627 8.777 8.150 0.000 0.000 0.448 30 Q N -0.910 118.865 119.800 -0.041 0.000 2.079 30 Q HA -0.189 4.152 4.340 0.002 0.000 0.200 30 Q C 2.039 178.024 176.000 -0.025 0.000 0.974 30 Q CA 1.584 57.362 55.803 -0.041 0.000 0.840 30 Q CB -0.167 28.529 28.738 -0.069 0.000 0.898 30 Q HN 0.789 9.059 8.270 0.000 0.000 0.430 31 E N 0.161 120.347 120.200 -0.024 0.000 2.160 31 E HA -0.188 4.163 4.350 0.002 0.000 0.195 31 E C 1.432 178.033 176.600 0.003 0.000 0.991 31 E CA 0.727 57.121 56.400 -0.009 0.000 0.810 31 E CB 0.136 29.833 29.700 -0.005 0.000 0.742 31 E HN 0.206 8.566 8.360 0.000 0.000 0.466 32 Q N -0.634 119.170 119.800 0.008 0.000 2.247 32 Q HA 0.110 4.451 4.340 0.002 0.000 0.205 32 Q C 0.618 176.631 176.000 0.022 0.000 0.896 32 Q CA 0.549 56.364 55.803 0.020 0.000 0.950 32 Q CB 0.997 29.754 28.738 0.032 0.000 1.054 32 Q HN 0.403 8.673 8.270 0.000 0.000 0.482 33 G N 0.197 109.003 108.800 0.011 0.000 2.142 33 G HA2 -0.220 3.740 3.960 0.002 0.000 0.225 33 G HA3 -0.220 3.740 3.960 0.002 0.000 0.225 33 G C 0.143 175.048 174.900 0.008 0.000 1.015 33 G CA 0.118 45.224 45.100 0.010 0.000 0.716 33 G HN 0.539 8.829 8.290 0.000 0.000 0.508 34 A N -0.446 122.376 122.820 0.003 0.000 2.304 34 A HA 0.775 5.096 4.320 0.002 0.000 0.301 34 A C 0.404 177.983 177.584 -0.008 0.000 1.132 34 A CA -0.198 51.839 52.037 0.001 0.000 0.819 34 A CB 0.812 19.813 19.000 0.002 0.000 1.094 34 A HN 0.425 8.575 8.150 0.000 0.000 0.492 35 Q N 1.601 121.397 119.800 -0.007 0.000 2.331 35 Q HA 0.478 4.819 4.340 0.002 0.000 0.257 35 Q C -1.121 174.871 176.000 -0.014 0.000 0.957 35 Q CA -0.136 55.660 55.803 -0.011 0.000 0.923 35 Q CB 0.637 29.370 28.738 -0.008 0.000 1.212 35 Q HN 0.712 8.982 8.270 0.000 0.000 0.443 36 L N 2.536 123.747 121.223 -0.021 0.000 2.375 36 L HA 0.601 4.942 4.340 0.002 0.000 0.268 36 L C -0.453 176.406 176.870 -0.020 0.000 1.058 36 L CA -1.001 53.825 54.840 -0.022 0.000 0.803 36 L CB 1.638 43.677 42.059 -0.034 0.000 1.212 36 L HN 0.286 8.516 8.230 0.000 0.000 0.451 37 V N 2.767 122.670 119.914 -0.017 0.000 2.482 37 V HA 0.407 4.527 4.120 0.002 0.000 0.295 37 V C -0.139 175.946 176.094 -0.015 0.000 1.026 37 V CA -0.487 61.803 62.300 -0.016 0.000 0.856 37 V CB 1.603 33.418 31.823 -0.015 0.000 1.001 37 V HN 0.481 8.671 8.190 0.000 0.000 0.424 38 L N 4.015 125.229 121.223 -0.014 0.000 2.375 38 L HA 0.868 5.209 4.340 0.002 0.000 0.268 38 L C 0.629 177.496 176.870 -0.004 0.000 1.058 38 L CA -0.312 54.522 54.840 -0.009 0.000 0.803 38 L CB 1.878 43.932 42.059 -0.008 0.000 1.212 38 L HN 0.791 9.021 8.230 0.000 0.000 0.451 39 T N -1.660 112.895 114.554 0.003 0.000 2.916 39 T HA 0.866 5.217 4.350 0.002 0.000 0.292 39 T C -0.276 174.439 174.700 0.026 0.000 1.064 39 T CA -0.628 61.476 62.100 0.007 0.000 1.011 39 T CB 2.079 70.951 68.868 0.007 0.000 1.152 39 T HN 0.808 9.048 8.240 0.000 0.000 0.510 40 G N -0.547 108.275 108.800 0.037 0.000 2.672 40 G HA2 0.582 4.543 3.960 0.002 0.000 0.292 40 G HA3 0.582 4.543 3.960 0.002 0.000 0.292 40 G C -0.726 174.256 174.900 0.137 0.000 1.375 40 G CA -0.796 44.346 45.100 0.070 0.000 0.890 40 G HN 0.649 8.939 8.290 0.000 0.000 0.476 41 F N -0.050 119.890 119.950 -0.018 0.000 2.482 41 F HA 0.341 4.869 4.527 0.001 0.000 0.278 41 F C 1.321 177.113 175.800 -0.014 0.000 0.969 41 F CA 1.487 59.480 58.000 -0.012 0.000 1.223 41 F CB 0.596 39.575 39.000 -0.035 0.000 1.140 41 F HN 0.452 8.752 8.300 0.000 0.000 0.672 42 D N -0.902 119.176 120.400 -0.537 0.000 2.526 42 D HA 0.188 4.828 4.640 0.002 0.000 0.293 42 D C 0.783 176.894 176.300 -0.314 0.000 1.081 42 D CA 0.340 53.926 54.000 -0.691 0.000 0.924 42 D CB 0.494 40.598 40.800 -1.160 0.000 1.498 42 D HN 0.163 8.533 8.370 0.000 0.000 0.497 43 R N 1.303 121.682 120.500 -0.202 0.000 3.534 43 R HA 0.324 4.665 4.340 0.002 0.000 0.312 43 R C 1.359 177.616 176.300 -0.073 0.000 1.419 43 R CA -0.151 55.877 56.100 -0.120 0.000 1.262 43 R CB 0.417 30.662 30.300 -0.091 0.000 1.437 43 R HN 0.213 8.483 8.270 0.000 0.000 0.627 44 L N 0.383 121.562 121.223 -0.073 0.000 2.010 44 L HA -0.338 4.003 4.340 0.002 0.000 0.219 44 L C 2.372 179.222 176.870 -0.033 0.000 1.077 44 L CA 1.960 56.773 54.840 -0.044 0.000 0.773 44 L CB -0.427 41.603 42.059 -0.048 0.000 0.892 44 L HN 0.359 8.589 8.230 0.000 0.000 0.436 45 R N -0.338 120.138 120.500 -0.040 0.000 2.113 45 R HA -0.239 4.102 4.340 0.002 0.000 0.244 45 R C 2.287 178.571 176.300 -0.026 0.000 1.142 45 R CA 1.802 57.883 56.100 -0.032 0.000 0.953 45 R CB -0.533 29.746 30.300 -0.036 0.000 0.860 45 R HN 0.295 8.565 8.270 0.000 0.000 0.438 46 L N 0.921 122.126 121.223 -0.031 0.000 2.056 46 L HA -0.092 4.249 4.340 0.002 0.000 0.207 46 L C 2.148 179.009 176.870 -0.015 0.000 1.078 46 L CA 1.348 56.172 54.840 -0.026 0.000 0.749 46 L CB -0.112 41.928 42.059 -0.033 0.000 0.901 46 L HN 0.264 8.494 8.230 0.000 0.000 0.433 47 I N -3.981 116.584 120.570 -0.009 0.000 3.059 47 I HA -0.076 4.095 4.170 0.002 0.000 0.270 47 I C 2.177 178.307 176.117 0.022 0.000 1.238 47 I CA 0.545 61.852 61.300 0.012 0.000 1.478 47 I CB -0.421 37.592 38.000 0.022 0.000 1.097 47 I HN 0.220 8.430 8.210 0.000 0.000 0.455 48 Q N 1.659 121.463 119.800 0.007 0.000 2.096 48 Q HA -0.227 4.114 4.340 0.002 0.000 0.204 48 Q C 2.357 178.366 176.000 0.015 0.000 0.982 48 Q CA 1.836 57.643 55.803 0.008 0.000 0.850 48 Q CB -0.361 28.375 28.738 -0.004 0.000 0.901 48 Q HN 0.613 8.883 8.270 0.000 0.000 0.422 49 R N 0.021 120.525 120.500 0.008 0.000 2.115 49 R HA -0.077 4.264 4.340 0.002 0.000 0.230 49 R C 2.046 178.358 176.300 0.020 0.000 1.111 49 R CA 0.671 56.776 56.100 0.008 0.000 0.976 49 R CB 0.096 30.392 30.300 -0.007 0.000 0.870 49 R HN 0.170 8.441 8.270 0.000 0.000 0.445 50 I N 0.848 121.433 120.570 0.025 0.000 2.406 50 I HA -0.150 4.021 4.170 0.002 0.000 0.249 50 I C 2.279 178.505 176.117 0.182 0.000 1.122 50 I CA 1.435 62.760 61.300 0.041 0.000 1.431 50 I CB -1.420 36.580 38.000 0.000 0.000 1.087 50 I HN 0.273 8.483 8.210 0.000 0.000 0.424 51 T N -1.789 112.847 114.554 0.138 0.000 2.915 51 T HA -0.120 4.231 4.350 0.002 0.000 0.269 51 T C 1.473 176.229 174.700 0.094 0.000 1.071 51 T CA 0.959 63.135 62.100 0.128 0.000 1.132 51 T CB -0.333 68.570 68.868 0.058 0.000 0.878 51 T HN 0.176 8.416 8.240 0.000 0.000 0.479 52 D N 1.527 121.971 120.400 0.074 0.000 2.218 52 D HA -0.033 4.608 4.640 0.002 0.000 0.204 52 D C 2.097 178.443 176.300 0.077 0.000 0.976 52 D CA 0.764 54.795 54.000 0.052 0.000 0.853 52 D CB -0.239 40.581 40.800 0.033 0.000 0.939 52 D HN 0.361 8.731 8.370 0.000 0.000 0.481 53 R N -0.229 120.356 120.500 0.142 0.000 2.323 53 R HA 0.148 4.489 4.340 0.002 0.000 0.198 53 R C 0.597 177.052 176.300 0.258 0.000 0.988 53 R CA -0.086 56.129 56.100 0.191 0.000 1.041 53 R CB 0.000 30.402 30.300 0.170 0.000 0.926 53 R HN 0.121 8.391 8.270 0.000 0.000 0.476 54 L N 0.192 121.484 121.223 0.114 0.000 2.466 54 L HA 0.165 4.506 4.340 0.002 0.000 0.257 54 L C -1.161 175.679 176.870 -0.049 0.000 1.189 54 L CA -1.801 52.978 54.840 -0.101 0.000 0.813 54 L CB 0.475 42.402 42.059 -0.220 0.000 1.118 54 L HN -0.047 8.183 8.230 0.000 0.000 0.471 55 P HA -0.161 4.259 4.420 0.000 0.000 0.213 55 P C -0.358 176.922 177.300 -0.034 0.000 1.176 55 P CA 1.272 64.346 63.100 -0.044 0.000 0.919 55 P CB 0.128 31.794 31.700 -0.057 0.000 0.791 56 A N -1.110 121.681 122.820 -0.048 0.000 2.309 56 A HA 0.563 4.884 4.320 0.002 0.000 0.317 56 A C -0.309 177.254 177.584 -0.035 0.000 1.134 56 A CA -0.649 51.368 52.037 -0.033 0.000 0.866 56 A CB 0.790 19.771 19.000 -0.032 0.000 1.329 56 A HN 0.105 8.255 8.150 0.000 0.000 0.477 57 K N -0.063 120.323 120.400 -0.024 0.000 2.159 57 K HA 0.774 5.095 4.320 0.002 0.000 0.266 57 K C -0.558 176.029 176.600 -0.022 0.000 0.975 57 K CA -0.204 56.071 56.287 -0.020 0.000 0.865 57 K CB 1.747 34.240 32.500 -0.012 0.000 1.087 57 K HN 0.887 9.137 8.250 0.000 0.000 0.446 58 A N 3.112 125.919 122.820 -0.022 0.000 2.498 58 A HA 0.596 4.917 4.320 0.002 0.000 0.298 58 A C -2.770 174.804 177.584 -0.017 0.000 1.075 58 A CA -1.668 50.356 52.037 -0.021 0.000 0.714 58 A CB 0.929 19.912 19.000 -0.029 0.000 1.299 58 A HN 0.670 8.820 8.150 0.000 0.000 0.407 59 P HA 0.247 4.667 4.420 0.000 0.000 0.271 59 P C -0.893 176.398 177.300 -0.016 0.000 1.216 59 P CA -0.160 62.931 63.100 -0.015 0.000 0.771 59 P CB 0.476 32.166 31.700 -0.016 0.000 0.864 60 L N 5.141 126.355 121.223 -0.015 0.000 2.313 60 L HA 0.351 4.692 4.340 0.002 0.000 0.273 60 L C -0.868 175.988 176.870 -0.023 0.000 1.028 60 L CA -0.520 54.312 54.840 -0.014 0.000 0.871 60 L CB -0.082 41.972 42.059 -0.008 0.000 1.242 60 L HN 0.327 8.557 8.230 0.000 0.000 0.434 61 L N 2.832 124.039 121.223 -0.026 0.000 2.399 61 L HA 0.474 4.815 4.340 0.002 0.000 0.265 61 L C 0.376 177.214 176.870 -0.053 0.000 1.089 61 L CA -0.610 54.204 54.840 -0.043 0.000 0.802 61 L CB 1.207 43.241 42.059 -0.041 0.000 1.180 61 L HN 0.529 8.759 8.230 0.000 0.000 0.454 62 E N 1.695 121.834 120.200 -0.102 0.000 2.259 62 E HA 0.439 4.790 4.350 0.002 0.000 0.281 62 E C -1.471 175.045 176.600 -0.140 0.000 1.027 62 E CA -0.631 55.690 56.400 -0.133 0.000 0.838 62 E CB 1.266 30.824 29.700 -0.236 0.000 1.066 62 E HN 0.367 8.727 8.360 0.000 0.000 0.401 63 L N 5.097 126.335 121.223 0.025 0.000 2.555 63 L HA 0.315 4.656 4.340 0.002 0.000 0.264 63 L C -1.886 175.150 176.870 0.278 0.000 0.972 63 L CA -0.398 54.529 54.840 0.144 0.000 0.876 63 L CB 1.815 43.915 42.059 0.069 0.000 1.216 63 L HN 0.491 8.721 8.230 0.000 0.000 0.415 64 D N 3.213 123.893 120.400 0.466 0.000 2.462 64 D HA 0.214 4.855 4.640 0.002 0.000 0.249 64 D C 1.238 177.561 176.300 0.037 0.000 1.117 64 D CA -0.161 53.999 54.000 0.266 0.000 0.900 64 D CB 1.315 42.336 40.800 0.368 0.000 1.039 64 D HN 0.359 8.729 8.370 0.000 0.000 0.516 65 V N 1.771 121.667 119.914 -0.030 0.000 3.099 65 V HA -0.228 3.893 4.120 0.002 0.000 0.269 65 V C 1.351 177.385 176.094 -0.100 0.000 1.150 65 V CA 1.461 63.754 62.300 -0.011 0.000 1.165 65 V CB -0.771 31.079 31.823 0.044 0.000 0.756 65 V HN 0.520 8.710 8.190 0.000 0.000 0.527 66 Q N 0.711 120.351 119.800 -0.267 0.000 2.392 66 Q HA 0.168 4.509 4.340 0.002 0.000 0.203 66 Q C 0.784 176.667 176.000 -0.196 0.000 0.917 66 Q CA 0.128 55.673 55.803 -0.430 0.000 0.939 66 Q CB 0.138 28.592 28.738 -0.473 0.000 1.063 66 Q HN 0.873 9.143 8.270 0.000 0.000 0.516 67 N N 0.699 119.277 118.700 -0.202 0.000 2.434 67 N HA 0.003 4.744 4.740 0.002 0.000 0.272 67 N C 0.424 175.842 175.510 -0.154 0.000 1.040 67 N CA -0.068 52.811 53.050 -0.285 0.000 0.956 67 N CB 1.029 39.057 38.487 -0.764 0.000 1.108 67 N HN -0.096 8.284 8.380 0.000 0.000 0.481 68 E N 2.400 122.559 120.200 -0.069 0.000 2.158 68 E HA -0.105 4.246 4.350 0.002 0.000 0.191 68 E C 0.895 177.512 176.600 0.028 0.000 0.982 68 E CA 1.303 57.711 56.400 0.012 0.000 0.823 68 E CB 0.264 29.979 29.700 0.025 0.000 0.766 68 E HN 0.684 9.044 8.360 0.000 0.000 0.468 69 E N -1.110 119.099 120.200 0.015 0.000 2.152 69 E HA -0.147 4.204 4.350 0.002 0.000 0.192 69 E C 1.645 178.363 176.600 0.195 0.000 0.983 69 E CA 0.819 57.272 56.400 0.088 0.000 0.818 69 E CB -0.001 29.756 29.700 0.095 0.000 0.758 69 E HN 0.361 8.721 8.360 0.000 0.000 0.467 70 H N -0.152 118.934 119.070 0.028 0.000 2.321 70 H HA -0.096 4.461 4.556 0.002 0.000 0.300 70 H C 1.848 177.191 175.328 0.024 0.000 1.087 70 H CA 0.806 56.869 56.048 0.026 0.000 1.319 70 H CB -0.335 29.446 29.762 0.032 0.000 1.379 70 H HN 0.081 8.361 8.280 0.000 0.000 0.501 71 L N 0.457 121.778 121.223 0.163 0.000 2.046 71 L HA -0.062 4.279 4.340 0.002 0.000 0.208 71 L C 2.487 179.399 176.870 0.069 0.000 1.077 71 L CA 1.729 56.627 54.840 0.098 0.000 0.747 71 L CB -1.231 40.882 42.059 0.090 0.000 0.896 71 L HN 0.284 8.514 8.230 0.000 0.000 0.432 72 A N -1.380 121.482 122.820 0.071 0.000 1.968 72 A HA -0.109 4.212 4.320 0.002 0.000 0.217 72 A C 2.372 179.982 177.584 0.043 0.000 1.169 72 A CA 1.478 53.546 52.037 0.051 0.000 0.638 72 A CB -0.514 18.516 19.000 0.050 0.000 0.812 72 A HN 0.520 8.670 8.150 0.000 0.000 0.446 73 S N -0.926 114.806 115.700 0.053 0.000 2.524 73 S HA 0.165 4.636 4.470 0.002 0.000 0.216 73 S C 1.749 176.361 174.600 0.021 0.000 0.987 73 S CA 0.400 58.621 58.200 0.035 0.000 0.909 73 S CB -0.356 62.867 63.200 0.038 0.000 0.781 73 S HN 0.411 8.721 8.310 0.000 0.000 0.521 74 L N 1.048 122.288 121.223 0.028 0.000 2.046 74 L HA -0.070 4.271 4.340 0.002 0.000 0.208 74 L C 2.917 179.787 176.870 -0.001 0.000 1.077 74 L CA 1.586 56.434 54.840 0.013 0.000 0.747 74 L CB -0.857 41.215 42.059 0.023 0.000 0.896 74 L HN 0.520 8.750 8.230 0.000 0.000 0.432 75 A N -0.196 122.623 122.820 -0.002 0.000 1.858 75 A HA -0.154 4.167 4.320 0.002 0.000 0.216 75 A C 2.292 179.872 177.584 -0.007 0.000 1.190 75 A CA 1.662 53.693 52.037 -0.010 0.000 0.617 75 A CB -1.332 17.661 19.000 -0.011 0.000 0.827 75 A HN 0.483 8.633 8.150 0.000 0.000 0.443 76 G N -0.863 107.936 108.800 -0.002 0.000 2.432 76 G HA2 -0.213 3.748 3.960 0.002 0.000 0.219 76 G HA3 -0.213 3.748 3.960 0.002 0.000 0.219 76 G C 1.748 176.644 174.900 -0.006 0.000 1.135 76 G CA 0.852 45.951 45.100 -0.001 0.000 0.767 76 G HN 0.547 8.837 8.290 0.000 0.000 0.550 77 R N -0.337 120.158 120.500 -0.008 0.000 2.075 77 R HA 0.002 4.343 4.340 0.002 0.000 0.232 77 R C 2.653 178.943 176.300 -0.016 0.000 1.126 77 R CA 1.088 57.180 56.100 -0.015 0.000 0.963 77 R CB -0.490 29.797 30.300 -0.023 0.000 0.858 77 R HN 0.314 8.584 8.270 0.000 0.000 0.435 78 V N 0.594 120.499 119.914 -0.015 0.000 2.358 78 V HA -0.202 3.919 4.120 0.002 0.000 0.246 78 V C 2.049 178.135 176.094 -0.013 0.000 1.047 78 V CA 2.084 64.375 62.300 -0.015 0.000 1.035 78 V CB -0.513 31.299 31.823 -0.017 0.000 0.658 78 V HN 0.391 8.581 8.190 0.000 0.000 0.452 79 T N -0.742 113.805 114.554 -0.011 0.000 2.929 79 T HA -0.176 4.175 4.350 0.002 0.000 0.271 79 T C 1.816 176.511 174.700 -0.007 0.000 1.085 79 T CA 1.181 63.276 62.100 -0.008 0.000 1.125 79 T CB -0.158 68.707 68.868 -0.006 0.000 0.874 79 T HN 0.484 8.724 8.240 0.000 0.000 0.494 80 E N 0.687 120.882 120.200 -0.008 0.000 2.230 80 E HA 0.038 4.389 4.350 0.002 0.000 0.192 80 E C 2.302 178.896 176.600 -0.009 0.000 0.987 80 E CA 0.693 57.088 56.400 -0.008 0.000 0.841 80 E CB -0.004 29.691 29.700 -0.009 0.000 0.783 80 E HN 0.501 8.861 8.360 0.000 0.000 0.481 81 A N 1.238 124.051 122.820 -0.011 0.000 1.874 81 A HA -0.071 4.250 4.320 0.002 0.000 0.214 81 A C 2.077 179.655 177.584 -0.010 0.000 1.189 81 A CA 1.088 53.118 52.037 -0.012 0.000 0.615 81 A CB -0.472 18.520 19.000 -0.014 0.000 0.830 81 A HN 0.318 8.468 8.150 0.000 0.000 0.443 82 I N -3.356 117.208 120.570 -0.010 0.000 3.793 82 I HA 0.499 4.669 4.170 0.002 0.000 0.315 82 I C 0.869 176.983 176.117 -0.006 0.000 1.275 82 I CA 0.345 61.640 61.300 -0.008 0.000 1.214 82 I CB -0.489 37.506 38.000 -0.009 0.000 1.018 82 I HN 0.397 8.607 8.210 0.000 0.000 0.439 83 G N 1.477 110.273 108.800 -0.006 0.000 3.039 83 G HA2 0.173 4.134 3.960 0.002 0.000 0.686 83 G HA3 0.173 4.134 3.960 0.002 0.000 0.686 83 G C -0.268 174.630 174.900 -0.003 0.000 1.066 83 G CA -0.597 44.500 45.100 -0.004 0.000 0.774 83 G HN 0.762 9.052 8.290 0.000 0.000 0.591 84 A N 1.098 123.917 122.820 -0.002 0.000 2.407 84 A HA 0.917 5.238 4.320 0.002 0.000 0.248 84 A C 1.876 179.461 177.584 0.001 0.000 1.082 84 A CA 1.874 53.910 52.037 -0.001 0.000 0.785 84 A CB 0.729 19.729 19.000 0.000 0.000 1.020 84 A HN 2.986 11.136 8.150 0.000 0.000 0.489 85 G N 1.541 110.342 108.800 0.002 0.000 2.345 85 G HA2 -0.214 3.747 3.960 0.002 0.000 0.218 85 G HA3 -0.214 3.747 3.960 0.002 0.000 0.218 85 G C 0.254 175.156 174.900 0.003 0.000 1.058 85 G CA 0.129 45.230 45.100 0.003 0.000 0.632 85 G HN 0.809 9.100 8.290 0.000 0.000 0.508 86 N N 1.455 120.156 118.700 0.001 0.000 2.524 86 N HA 0.549 5.290 4.740 0.002 0.000 0.283 86 N C -0.211 175.298 175.510 -0.002 0.000 1.142 86 N CA 0.201 53.251 53.050 -0.001 0.000 0.984 86 N CB 1.297 39.783 38.487 -0.002 0.000 1.155 86 N HN 0.454 8.834 8.380 0.000 0.000 0.467 87 K N 0.997 121.396 120.400 -0.002 0.000 2.340 87 K HA 0.465 4.786 4.320 0.002 0.000 0.244 87 K C -0.262 176.332 176.600 -0.010 0.000 0.973 87 K CA -0.782 55.502 56.287 -0.006 0.000 0.828 87 K CB 1.991 34.491 32.500 -0.000 0.000 1.226 87 K HN 0.264 8.514 8.250 0.000 0.000 0.437 88 L N 2.036 123.248 121.223 -0.018 0.000 2.426 88 L HA 0.011 4.352 4.340 0.002 0.000 0.271 88 L C 0.783 177.642 176.870 -0.017 0.000 1.169 88 L CA 0.258 55.086 54.840 -0.020 0.000 0.836 88 L CB 0.405 42.447 42.059 -0.030 0.000 1.112 88 L HN 0.682 8.912 8.230 0.000 0.000 0.465 89 D N 1.421 121.814 120.400 -0.011 0.000 2.379 89 D HA 0.133 4.774 4.640 0.002 0.000 0.218 89 D C 0.682 176.979 176.300 -0.005 0.000 1.006 89 D CA 0.435 54.431 54.000 -0.008 0.000 0.893 89 D CB 0.815 41.612 40.800 -0.004 0.000 1.019 89 D HN 0.634 9.004 8.370 0.000 0.000 0.503 90 G N -0.029 108.769 108.800 -0.002 0.000 2.685 90 G HA2 0.572 4.533 3.960 0.002 0.000 0.298 90 G HA3 0.572 4.533 3.960 0.002 0.000 0.298 90 G C -1.296 173.603 174.900 -0.000 0.000 1.277 90 G CA -0.395 44.708 45.100 0.006 0.000 0.986 90 G HN -0.043 8.247 8.290 0.000 0.000 0.487 91 V N -0.253 119.668 119.914 0.012 0.000 2.789 91 V HA 0.388 4.509 4.120 0.002 0.000 0.300 91 V C -0.872 175.258 176.094 0.059 0.000 1.184 91 V CA -0.577 61.732 62.300 0.015 0.000 0.930 91 V CB 1.980 33.792 31.823 -0.019 0.000 1.041 91 V HN 0.632 8.822 8.190 0.000 0.000 0.430 92 V N 4.422 124.378 119.914 0.070 0.000 2.378 92 V HA 0.430 4.551 4.120 0.002 0.000 0.288 92 V C -0.296 175.885 176.094 0.145 0.000 1.016 92 V CA -0.609 61.758 62.300 0.113 0.000 0.840 92 V CB 1.492 33.364 31.823 0.081 0.000 0.994 92 V HN 0.885 9.075 8.190 0.000 0.000 0.431 93 H N 3.908 123.059 119.070 0.136 0.000 2.690 93 H HA 0.395 4.952 4.556 0.001 0.000 0.289 93 H C -0.157 175.248 175.328 0.130 0.000 1.089 93 H CA 0.048 56.191 56.048 0.158 0.000 1.299 93 H CB 1.544 31.491 29.762 0.308 0.000 1.405 93 H HN 0.596 8.876 8.280 0.000 0.000 0.463 94 S N 6.685 122.378 115.700 -0.013 0.000 2.740 94 S HA 0.344 4.815 4.470 0.002 0.000 0.244 94 S C -0.194 174.380 174.600 -0.044 0.000 1.101 94 S CA -0.497 57.733 58.200 0.050 0.000 1.123 94 S CB -0.510 62.729 63.200 0.065 0.000 1.012 94 S HN 0.571 8.881 8.310 0.000 0.000 0.491 95 I N 1.636 122.078 120.570 -0.212 0.000 2.412 95 I HA 0.705 4.875 4.170 0.002 0.000 0.296 95 I C 0.540 176.688 176.117 0.052 0.000 0.987 95 I CA -0.495 60.686 61.300 -0.197 0.000 1.180 95 I CB 1.957 39.659 38.000 -0.496 0.000 1.340 95 I HN 0.415 8.625 8.210 0.000 0.000 0.455 96 G N 5.124 113.965 108.800 0.068 0.000 2.703 96 G HA2 0.668 4.629 3.960 0.002 0.000 0.294 96 G HA3 0.668 4.629 3.960 0.002 0.000 0.294 96 G C -2.078 172.929 174.900 0.179 0.000 1.451 96 G CA -0.356 44.822 45.100 0.129 0.000 0.869 96 G HN 0.361 8.651 8.290 0.000 0.000 0.516 97 F N 0.893 120.831 119.950 -0.019 0.000 2.669 97 F HA 0.755 5.283 4.527 0.002 0.000 0.315 97 F C -1.554 174.225 175.800 -0.034 0.000 1.109 97 F CA -1.026 56.953 58.000 -0.035 0.000 1.028 97 F CB 2.346 41.304 39.000 -0.069 0.000 1.287 97 F HN 0.652 8.952 8.300 0.000 0.000 0.452 98 M N 7.581 126.568 119.600 -1.022 0.000 2.457 98 M HA 0.662 5.143 4.480 0.002 0.000 0.300 98 M C -2.812 172.624 176.300 -1.439 0.000 1.141 98 M CA -2.546 52.192 55.300 -0.938 0.000 0.901 98 M CB 2.261 34.601 32.600 -0.433 0.000 1.687 98 M HN 0.245 8.535 8.290 0.000 0.000 0.449 99 P HA 0.095 4.515 4.420 0.000 0.000 0.268 99 P C -0.168 176.982 177.300 -0.251 0.000 1.205 99 P CA -0.035 62.838 63.100 -0.379 0.000 0.771 99 P CB 0.428 32.054 31.700 -0.123 0.000 0.858 100 Q N 0.680 120.413 119.800 -0.113 0.000 2.443 100 Q HA -0.138 4.203 4.340 0.002 0.000 0.213 100 Q C 1.712 177.685 176.000 -0.044 0.000 0.982 100 Q CA 1.413 57.180 55.803 -0.061 0.000 0.894 100 Q CB -0.795 27.942 28.738 -0.002 0.000 0.947 100 Q HN 0.516 8.786 8.270 0.000 0.000 0.480 101 T N -0.246 114.272 114.554 -0.061 0.000 2.833 101 T HA -0.062 4.289 4.350 0.002 0.000 0.269 101 T C 1.056 175.734 174.700 -0.037 0.000 1.054 101 T CA 1.328 63.398 62.100 -0.051 0.000 1.135 101 T CB -0.082 68.738 68.868 -0.080 0.000 0.869 101 T HN 0.418 8.658 8.240 0.000 0.000 0.466 102 G N 1.045 109.813 108.800 -0.052 0.000 4.804 102 G HA2 0.544 4.505 3.960 0.002 0.000 0.310 102 G HA3 0.544 4.505 3.960 0.002 0.000 0.310 102 G C -0.493 174.475 174.900 0.113 0.000 1.389 102 G CA -0.305 44.849 45.100 0.090 0.000 1.106 102 G HN 0.305 8.595 8.290 0.000 0.000 0.595 103 M N 0.463 120.100 119.600 0.063 0.000 2.363 103 M HA 0.352 4.833 4.480 0.002 0.000 0.256 103 M C 0.429 176.753 176.300 0.041 0.000 1.005 103 M CA 0.416 55.730 55.300 0.022 0.000 0.890 103 M CB 1.343 33.908 32.600 -0.060 0.000 2.101 103 M HN 0.900 9.190 8.290 0.000 0.000 0.476 104 G N 3.075 111.915 108.800 0.066 0.000 2.669 104 G HA2 -0.269 3.692 3.960 0.002 0.000 0.250 104 G HA3 -0.269 3.692 3.960 0.002 0.000 0.250 104 G C 0.234 175.171 174.900 0.062 0.000 1.247 104 G CA 0.367 45.505 45.100 0.063 0.000 0.958 104 G HN 0.650 8.940 8.290 0.000 0.000 0.559 105 I N 2.644 123.244 120.570 0.049 0.000 3.059 105 I HA 0.264 4.435 4.170 0.002 0.000 0.270 105 I C 0.969 177.115 176.117 0.049 0.000 1.238 105 I CA 0.438 61.765 61.300 0.045 0.000 1.478 105 I CB -0.438 37.583 38.000 0.036 0.000 1.097 105 I HN 0.442 8.652 8.210 0.000 0.000 0.455 106 N N 1.314 120.046 118.700 0.054 0.000 2.470 106 N HA 0.186 4.927 4.740 0.002 0.000 0.268 106 N C -2.473 173.086 175.510 0.083 0.000 1.136 106 N CA -1.407 51.678 53.050 0.058 0.000 0.961 106 N CB 0.604 39.118 38.487 0.046 0.000 1.067 106 N HN -0.051 8.329 8.380 0.000 0.000 0.468 107 P HA -0.030 4.390 4.420 0.000 0.000 0.266 107 P C 0.144 177.533 177.300 0.149 0.000 1.195 107 P CA 0.024 63.180 63.100 0.094 0.000 0.768 107 P CB 0.334 32.086 31.700 0.087 0.000 0.838 108 F N 2.649 122.582 119.950 -0.028 0.000 2.126 108 F HA -0.183 4.345 4.527 0.001 0.000 0.299 108 F C 1.631 177.642 175.800 0.353 0.000 1.096 108 F CA 1.660 59.695 58.000 0.057 0.000 1.255 108 F CB -0.281 38.571 39.000 -0.246 0.000 0.997 108 F HN 0.179 8.479 8.300 0.000 0.000 0.479 109 F N 0.373 120.497 119.950 0.290 0.000 2.502 109 F HA -0.055 4.473 4.527 0.001 0.000 0.298 109 F C 2.000 177.854 175.800 0.091 0.000 1.111 109 F CA 0.693 58.815 58.000 0.203 0.000 1.445 109 F CB -1.132 37.982 39.000 0.189 0.000 1.081 109 F HN -0.020 8.280 8.300 0.000 0.000 0.558 110 D N 0.102 120.646 120.400 0.241 0.000 2.347 110 D HA 0.081 4.722 4.640 0.002 0.000 0.213 110 D C 1.032 177.347 176.300 0.025 0.000 0.985 110 D CA 0.331 54.403 54.000 0.120 0.000 0.879 110 D CB -0.218 40.641 40.800 0.098 0.000 0.919 110 D HN 0.053 8.423 8.370 0.000 0.000 0.526 111 A N 2.461 125.262 122.820 -0.032 0.000 2.451 111 A HA 0.349 4.670 4.320 0.002 0.000 0.266 111 A C -1.984 175.454 177.584 -0.242 0.000 1.119 111 A CA -0.910 51.003 52.037 -0.206 0.000 0.786 111 A CB 0.045 18.771 19.000 -0.457 0.000 1.061 111 A HN -0.028 8.122 8.150 0.000 0.000 0.503 112 P HA 0.083 4.503 4.420 0.000 0.000 0.276 112 P C 0.170 177.349 177.300 -0.203 0.000 1.252 112 P CA -0.241 62.776 63.100 -0.138 0.000 0.802 112 P CB 0.584 32.233 31.700 -0.085 0.000 1.035 113 Y N 1.784 121.941 120.300 -0.239 0.000 2.293 113 Y HA -0.077 4.474 4.550 0.001 0.000 0.291 113 Y C 2.482 178.257 175.900 -0.208 0.000 1.137 113 Y CA 2.011 59.952 58.100 -0.266 0.000 1.202 113 Y CB -0.990 37.356 38.460 -0.191 0.000 0.990 113 Y HN 0.439 8.719 8.280 0.000 0.000 0.537 114 A N -0.209 122.457 122.820 -0.257 0.000 2.019 114 A HA -0.167 4.154 4.320 0.002 0.000 0.219 114 A C 1.816 179.245 177.584 -0.260 0.000 1.164 114 A CA 1.972 53.861 52.037 -0.247 0.000 0.644 114 A CB -0.571 18.369 19.000 -0.100 0.000 0.805 114 A HN 0.503 8.653 8.150 0.000 0.000 0.449 115 D N -0.571 119.668 120.400 -0.268 0.000 2.144 115 D HA -0.036 4.605 4.640 0.002 0.000 0.207 115 D C 2.109 178.212 176.300 -0.327 0.000 0.970 115 D CA 1.238 55.098 54.000 -0.234 0.000 0.853 115 D CB -0.490 40.182 40.800 -0.214 0.000 1.007 115 D HN 0.168 8.538 8.370 0.000 0.000 0.469 116 V N 0.762 120.379 119.914 -0.495 0.000 2.332 116 V HA -0.208 3.913 4.120 0.002 0.000 0.248 116 V C 2.516 178.332 176.094 -0.464 0.000 1.055 116 V CA 1.856 63.830 62.300 -0.543 0.000 1.038 116 V CB -0.469 30.846 31.823 -0.846 0.000 0.651 116 V HN 0.172 8.362 8.190 0.000 0.000 0.450 117 S N -1.108 114.155 115.700 -0.728 0.000 2.428 117 S HA -0.192 4.278 4.470 0.002 0.000 0.230 117 S C 2.087 176.544 174.600 -0.240 0.000 1.014 117 S CA 1.614 59.446 58.200 -0.614 0.000 0.957 117 S CB -0.198 62.428 63.200 -0.956 0.000 0.784 117 S HN 0.600 8.910 8.310 0.000 0.000 0.499 118 K N 0.118 120.408 120.400 -0.183 0.000 2.057 118 K HA -0.020 4.300 4.320 0.002 0.000 0.206 118 K C 2.106 178.738 176.600 0.052 0.000 1.050 118 K CA 1.231 57.509 56.287 -0.015 0.000 0.935 118 K CB -0.667 31.842 32.500 0.014 0.000 0.715 118 K HN 0.425 8.675 8.250 0.000 0.000 0.439 119 G N 1.014 109.799 108.800 -0.025 0.000 2.422 119 G HA2 -0.175 3.786 3.960 0.002 0.000 0.218 119 G HA3 -0.175 3.786 3.960 0.002 0.000 0.218 119 G C 1.452 176.376 174.900 0.041 0.000 1.140 119 G CA 0.492 45.585 45.100 -0.012 0.000 0.775 119 G HN 0.225 8.515 8.290 0.000 0.000 0.545 120 I N -0.478 120.108 120.570 0.026 0.000 2.315 120 I HA -0.109 4.061 4.170 0.002 0.000 0.248 120 I C 2.383 178.596 176.117 0.160 0.000 1.117 120 I CA 1.029 62.378 61.300 0.082 0.000 1.404 120 I CB -0.321 37.714 38.000 0.058 0.000 1.071 120 I HN 0.283 8.493 8.210 0.000 0.000 0.419 121 H N 1.033 120.116 119.070 0.022 0.000 2.265 121 H HA -0.204 4.353 4.556 0.001 0.000 0.295 121 H C 2.337 177.743 175.328 0.130 0.000 1.084 121 H CA 2.026 58.105 56.048 0.050 0.000 1.261 121 H CB 0.128 29.870 29.762 -0.034 0.000 1.360 121 H HN 0.186 8.466 8.280 0.000 0.000 0.487 122 I N -0.340 120.369 120.570 0.232 0.000 2.439 122 I HA -0.183 3.988 4.170 0.002 0.000 0.251 122 I C 2.162 178.403 176.117 0.206 0.000 1.139 122 I CA 1.016 62.394 61.300 0.130 0.000 1.438 122 I CB 0.090 38.113 38.000 0.038 0.000 1.085 122 I HN 0.212 8.422 8.210 0.000 0.000 0.427 123 S N -0.198 115.619 115.700 0.196 0.000 2.475 123 S HA 0.271 4.742 4.470 0.002 0.000 0.224 123 S C 1.760 176.458 174.600 0.164 0.000 1.042 123 S CA 0.619 58.933 58.200 0.190 0.000 0.935 123 S CB 0.392 63.665 63.200 0.122 0.000 0.801 123 S HN 0.459 8.769 8.310 0.000 0.000 0.509 124 A N 0.315 123.232 122.820 0.162 0.000 2.080 124 A HA 0.333 4.654 4.320 0.002 0.000 0.211 124 A C 1.679 179.359 177.584 0.161 0.000 1.708 124 A CA 0.146 52.255 52.037 0.121 0.000 0.825 124 A CB -1.226 17.846 19.000 0.121 0.000 1.261 124 A HN 0.359 8.509 8.150 0.000 0.000 0.573 125 Y N 2.577 122.929 120.300 0.087 0.000 2.193 125 Y HA -0.280 4.271 4.550 0.002 0.000 0.285 125 Y C 2.740 178.713 175.900 0.122 0.000 1.166 125 Y CA 2.310 60.453 58.100 0.071 0.000 1.181 125 Y CB -0.178 38.282 38.460 0.000 0.000 0.976 125 Y HN 0.414 8.694 8.280 0.000 0.000 0.520 126 S N -1.027 114.851 115.700 0.296 0.000 2.400 126 S HA -0.327 4.144 4.470 0.002 0.000 0.232 126 S C 1.904 176.565 174.600 0.102 0.000 1.025 126 S CA 1.335 59.688 58.200 0.255 0.000 0.993 126 S CB -1.385 62.045 63.200 0.383 0.000 0.808 126 S HN 0.677 8.987 8.310 0.000 0.000 0.478 127 Y N 2.636 122.852 120.300 -0.140 0.000 2.224 127 Y HA 0.023 4.574 4.550 0.002 0.000 0.289 127 Y C 2.597 178.400 175.900 -0.161 0.000 1.146 127 Y CA 0.750 58.688 58.100 -0.269 0.000 1.182 127 Y CB -0.926 37.296 38.460 -0.396 0.000 0.983 127 Y HN 0.354 8.634 8.280 0.000 0.000 0.524 128 A N -0.282 122.433 122.820 -0.176 0.000 1.855 128 A HA -0.194 4.127 4.320 0.002 0.000 0.215 128 A C 2.488 179.901 177.584 -0.286 0.000 1.191 128 A CA 2.343 54.223 52.037 -0.261 0.000 0.613 128 A CB -1.458 17.338 19.000 -0.341 0.000 0.829 128 A HN 0.569 8.719 8.150 0.000 0.000 0.442 129 S N -0.288 115.210 115.700 -0.337 0.000 2.359 129 S HA -0.253 4.218 4.470 0.002 0.000 0.224 129 S C 2.073 176.616 174.600 -0.096 0.000 1.035 129 S CA 1.948 60.044 58.200 -0.174 0.000 1.018 129 S CB -0.667 62.505 63.200 -0.047 0.000 0.876 129 S HN 0.461 8.771 8.310 0.000 0.000 0.448 130 M N 1.538 121.090 119.600 -0.081 0.000 2.108 130 M HA -0.063 4.417 4.480 0.002 0.000 0.261 130 M C 2.672 178.881 176.300 -0.152 0.000 1.066 130 M CA 1.641 56.900 55.300 -0.069 0.000 1.107 130 M CB -0.662 31.938 32.600 0.000 0.000 1.356 130 M HN 0.590 8.880 8.290 0.000 0.000 0.406 131 A N 0.005 122.673 122.820 -0.253 0.000 1.902 131 A HA -0.213 4.108 4.320 0.002 0.000 0.217 131 A C 2.091 179.555 177.584 -0.200 0.000 1.181 131 A CA 1.875 53.747 52.037 -0.275 0.000 0.623 131 A CB -0.692 18.100 19.000 -0.347 0.000 0.818 131 A HN 0.468 8.618 8.150 0.000 0.000 0.443 132 K N -0.306 120.003 120.400 -0.153 0.000 2.152 132 K HA -0.134 4.187 4.320 0.002 0.000 0.206 132 K C 1.958 178.506 176.600 -0.088 0.000 1.048 132 K CA 1.332 57.559 56.287 -0.100 0.000 0.933 132 K CB -0.255 32.204 32.500 -0.068 0.000 0.721 132 K HN 0.405 8.655 8.250 0.000 0.000 0.447 133 A N 0.294 123.064 122.820 -0.084 0.000 1.975 133 A HA 0.075 4.396 4.320 0.002 0.000 0.215 133 A C 1.819 179.355 177.584 -0.079 0.000 1.170 133 A CA 0.612 52.615 52.037 -0.055 0.000 0.656 133 A CB 0.031 19.015 19.000 -0.027 0.000 0.821 133 A HN 0.281 8.431 8.150 0.000 0.000 0.449 134 L N -1.141 120.010 121.223 -0.120 0.000 2.609 134 L HA 0.162 4.503 4.340 0.002 0.000 0.230 134 L C 1.949 178.704 176.870 -0.193 0.000 1.087 134 L CA -0.198 54.568 54.840 -0.123 0.000 0.874 134 L CB -0.024 41.974 42.059 -0.102 0.000 1.114 134 L HN 0.184 8.414 8.230 0.000 0.000 0.488 135 L N 1.468 122.508 121.223 -0.305 0.000 2.042 135 L HA -0.088 4.253 4.340 0.002 0.000 0.210 135 L C -0.315 176.182 176.870 -0.621 0.000 1.076 135 L CA 2.213 56.703 54.840 -0.583 0.000 0.749 135 L CB -1.716 39.835 42.059 -0.847 0.000 0.893 135 L HN 0.116 8.346 8.230 0.000 0.000 0.432 136 P HA -0.079 4.341 4.420 0.000 0.000 0.225 136 P C 1.072 178.352 177.300 -0.032 0.000 1.148 136 P CA 1.204 64.265 63.100 -0.064 0.000 0.779 136 P CB -0.114 31.588 31.700 0.003 0.000 0.780 137 I N -6.328 114.197 120.570 -0.075 0.000 3.736 137 I HA 0.375 4.545 4.170 0.002 0.000 0.338 137 I C 0.105 176.190 176.117 -0.053 0.000 1.558 137 I CA -0.215 61.060 61.300 -0.042 0.000 1.147 137 I CB -0.384 37.596 38.000 -0.034 0.000 1.275 137 I HN -0.247 7.963 8.210 0.000 0.000 0.454 138 M N 1.199 120.755 119.600 -0.074 0.000 2.456 138 M HA 0.406 4.887 4.480 0.002 0.000 0.324 138 M C -0.653 175.645 176.300 -0.004 0.000 1.124 138 M CA -0.322 54.944 55.300 -0.057 0.000 0.959 138 M CB 2.187 34.722 32.600 -0.108 0.000 1.692 138 M HN 0.157 8.447 8.290 0.000 0.000 0.444 139 N N 2.210 120.912 118.700 0.003 0.000 2.530 139 N HA 0.333 5.074 4.740 0.002 0.000 0.277 139 N C -2.571 172.957 175.510 0.030 0.000 1.168 139 N CA -1.092 51.970 53.050 0.020 0.000 0.979 139 N CB 0.569 39.060 38.487 0.007 0.000 1.141 139 N HN 0.278 8.658 8.380 0.000 0.000 0.459 140 P HA 0.003 4.423 4.420 0.000 0.000 0.264 140 P C 0.729 178.035 177.300 0.011 0.000 1.179 140 P CA 0.847 63.968 63.100 0.034 0.000 0.763 140 P CB 0.452 32.167 31.700 0.025 0.000 0.806 141 G N 1.274 110.077 108.800 0.006 0.000 2.176 141 G HA2 -0.164 3.797 3.960 0.002 0.000 0.253 141 G HA3 -0.164 3.797 3.960 0.002 0.000 0.253 141 G C 0.659 175.554 174.900 -0.008 0.000 0.979 141 G CA -0.139 44.953 45.100 -0.013 0.000 0.641 141 G HN 0.897 9.187 8.290 0.000 0.000 0.530 142 G N -0.555 108.247 108.800 0.004 0.000 2.653 142 G HA2 0.556 4.517 3.960 0.002 0.000 0.265 142 G HA3 0.556 4.517 3.960 0.002 0.000 0.265 142 G C 0.082 174.986 174.900 0.007 0.000 1.237 142 G CA 0.876 45.976 45.100 0.001 0.000 0.946 142 G HN 1.414 9.704 8.290 0.000 0.000 0.522 143 S N -0.815 114.891 115.700 0.009 0.000 2.720 143 S HA 0.473 4.944 4.470 0.002 0.000 0.278 143 S C -0.675 173.943 174.600 0.031 0.000 1.172 143 S CA -0.733 57.482 58.200 0.025 0.000 1.019 143 S CB 0.342 63.562 63.200 0.033 0.000 1.049 143 S HN 0.463 8.773 8.310 0.000 0.000 0.483 144 I N 4.296 124.892 120.570 0.043 0.000 2.359 144 I HA 0.622 4.793 4.170 0.002 0.000 0.294 144 I C -0.311 175.902 176.117 0.160 0.000 0.987 144 I CA -0.952 60.384 61.300 0.061 0.000 1.225 144 I CB 1.778 39.766 38.000 -0.021 0.000 1.366 144 I HN 0.387 8.597 8.210 0.000 0.000 0.466 145 V N 5.799 125.827 119.914 0.190 0.000 2.577 145 V HA 0.834 4.955 4.120 0.002 0.000 0.303 145 V C -0.016 176.251 176.094 0.289 0.000 1.042 145 V CA -0.032 62.391 62.300 0.206 0.000 0.872 145 V CB 1.653 33.548 31.823 0.120 0.000 0.998 145 V HN 0.850 9.040 8.190 0.000 0.000 0.423 146 G N 6.110 115.039 108.800 0.214 0.000 2.552 146 G HA2 0.667 4.628 3.960 0.002 0.000 0.318 146 G HA3 0.667 4.628 3.960 0.002 0.000 0.318 146 G C -0.804 174.132 174.900 0.059 0.000 1.240 146 G CA -0.935 44.244 45.100 0.132 0.000 1.002 146 G HN 0.619 8.909 8.290 0.000 0.000 0.493 147 M N 0.799 120.455 119.600 0.094 0.000 2.393 147 M HA 0.417 4.898 4.480 0.002 0.000 0.316 147 M C -1.560 174.773 176.300 0.055 0.000 1.087 147 M CA -0.742 54.604 55.300 0.076 0.000 0.937 147 M CB 1.790 34.463 32.600 0.122 0.000 1.668 147 M HN 0.535 8.825 8.290 0.000 0.000 0.438 148 D N 1.404 121.826 120.400 0.036 0.000 2.490 148 D HA 0.601 5.242 4.640 0.002 0.000 0.232 148 D C -1.988 174.410 176.300 0.164 0.000 1.053 148 D CA -0.223 53.807 54.000 0.051 0.000 0.914 148 D CB 2.152 42.908 40.800 -0.073 0.000 1.431 148 D HN 0.481 8.851 8.370 0.000 0.000 0.483 149 F N 1.600 121.555 119.950 0.009 0.000 2.507 149 F HA 0.212 4.739 4.527 0.001 0.000 0.328 149 F C -0.171 175.641 175.800 0.019 0.000 1.136 149 F CA -1.077 56.903 58.000 -0.034 0.000 0.930 149 F CB 1.330 40.255 39.000 -0.124 0.000 1.166 149 F HN 0.167 8.467 8.300 0.000 0.000 0.436 150 D N 7.969 128.220 120.400 -0.249 0.000 2.661 150 D HA -0.034 4.607 4.640 0.002 0.000 0.244 150 D C -1.792 174.464 176.300 -0.074 0.000 1.196 150 D CA -0.801 53.129 54.000 -0.117 0.000 0.881 150 D CB 1.017 41.761 40.800 -0.092 0.000 1.141 150 D HN 0.247 8.617 8.370 0.000 0.000 0.530 151 P HA 0.115 4.535 4.420 0.000 0.000 0.274 151 P C 0.712 178.040 177.300 0.047 0.000 1.352 151 P CA -0.186 62.968 63.100 0.089 0.000 0.947 151 P CB 0.449 32.229 31.700 0.133 0.000 1.437 152 S N 0.025 115.740 115.700 0.026 0.000 2.440 152 S HA -0.034 4.436 4.470 0.002 0.000 0.238 152 S C 0.984 175.580 174.600 -0.007 0.000 1.010 152 S CA 0.824 59.033 58.200 0.016 0.000 0.972 152 S CB -0.261 62.949 63.200 0.017 0.000 0.774 152 S HN 0.279 8.589 8.310 0.000 0.000 0.501 153 R N 0.024 120.514 120.500 -0.016 0.000 2.686 153 R HA 0.646 4.987 4.340 0.002 0.000 0.283 153 R C -0.673 175.613 176.300 -0.022 0.000 0.978 153 R CA -0.558 55.523 56.100 -0.032 0.000 0.897 153 R CB 1.654 31.924 30.300 -0.049 0.000 1.192 153 R HN 0.158 8.428 8.270 0.000 0.000 0.457 154 A N 3.494 126.287 122.820 -0.045 0.000 2.366 154 A HA 0.551 4.872 4.320 0.002 0.000 0.249 154 A C 0.234 177.806 177.584 -0.019 0.000 1.084 154 A CA -0.143 51.862 52.037 -0.053 0.000 0.794 154 A CB 0.396 19.315 19.000 -0.135 0.000 1.034 154 A HN 0.822 8.972 8.150 0.000 0.000 0.491 155 M N 0.714 120.325 119.600 0.020 0.000 2.644 155 M HA 0.685 5.166 4.480 0.002 0.000 0.273 155 M C -3.050 173.291 176.300 0.068 0.000 1.253 155 M CA -1.803 53.529 55.300 0.054 0.000 0.852 155 M CB 2.099 34.764 32.600 0.108 0.000 1.708 155 M HN 0.392 8.682 8.290 0.000 0.000 0.471 156 P HA 0.515 4.935 4.420 0.000 0.000 0.282 156 P C 0.192 177.561 177.300 0.115 0.000 1.249 156 P CA 0.676 63.814 63.100 0.062 0.000 0.806 156 P CB 1.598 33.324 31.700 0.044 0.000 0.984 157 A N 1.585 124.472 122.820 0.112 0.000 2.640 157 A HA -0.350 3.971 4.320 0.002 0.000 0.233 157 A C 1.536 179.232 177.584 0.186 0.000 0.621 157 A CA 1.386 53.501 52.037 0.130 0.000 1.214 157 A CB -3.027 16.044 19.000 0.118 0.000 1.351 157 A HN 0.529 8.679 8.150 0.000 0.000 0.694 158 Y N 1.425 121.766 120.300 0.067 0.000 2.314 158 Y HA 0.030 4.581 4.550 0.001 0.000 0.293 158 Y C 1.472 177.429 175.900 0.095 0.000 1.129 158 Y CA 1.662 59.808 58.100 0.077 0.000 1.201 158 Y CB -0.118 38.418 38.460 0.127 0.000 0.999 158 Y HN 0.705 8.985 8.280 0.000 0.000 0.541 159 N N -1.371 117.415 118.700 0.144 0.000 1.127 159 N HA -0.387 4.354 4.740 0.002 0.000 0.124 159 N C 0.796 176.342 175.510 0.060 0.000 0.690 159 N CA 2.075 55.204 53.050 0.132 0.000 0.874 159 N CB -1.707 36.899 38.487 0.198 0.000 1.192 159 N HN 0.470 8.850 8.380 0.000 0.000 0.573 160 W N 0.191 121.520 121.300 0.048 0.000 2.525 160 W HA 0.100 4.760 4.660 0.001 0.000 0.259 160 W C 2.478 178.928 176.519 -0.115 0.000 1.253 160 W CA 0.649 57.984 57.345 -0.016 0.000 1.262 160 W CB -0.269 29.099 29.460 -0.154 0.000 1.122 160 W HN 0.391 8.571 8.180 0.000 0.000 0.607 161 M N 0.199 119.722 119.600 -0.128 0.000 2.229 161 M HA -0.135 4.346 4.480 0.002 0.000 0.264 161 M C 1.930 178.063 176.300 -0.277 0.000 1.063 161 M CA 1.884 56.966 55.300 -0.363 0.000 1.114 161 M CB -1.002 31.086 32.600 -0.853 0.000 1.387 161 M HN -0.169 8.121 8.290 0.000 0.000 0.420 162 T N -0.573 113.874 114.554 -0.179 0.000 2.652 162 T HA -0.143 4.208 4.350 0.002 0.000 0.267 162 T C 1.842 176.617 174.700 0.124 0.000 1.039 162 T CA 1.908 64.113 62.100 0.174 0.000 1.153 162 T CB -0.892 68.102 68.868 0.210 0.000 0.863 162 T HN 0.261 8.501 8.240 0.000 0.000 0.428 163 V N 1.967 121.940 119.914 0.098 0.000 2.407 163 V HA -0.139 3.982 4.120 0.002 0.000 0.248 163 V C 2.922 179.116 176.094 0.168 0.000 1.055 163 V CA 1.551 63.939 62.300 0.147 0.000 1.049 163 V CB -1.300 30.668 31.823 0.242 0.000 0.662 163 V HN 0.579 8.769 8.190 0.000 0.000 0.455 164 A N -0.848 122.061 122.820 0.147 0.000 2.119 164 A HA -0.091 4.230 4.320 0.002 0.000 0.217 164 A C 2.192 179.839 177.584 0.104 0.000 1.153 164 A CA 1.099 53.206 52.037 0.117 0.000 0.692 164 A CB -0.225 18.821 19.000 0.077 0.000 0.799 164 A HN 0.389 8.539 8.150 0.000 0.000 0.458 165 K N -0.245 120.227 120.400 0.120 0.000 2.284 165 K HA 0.133 4.454 4.320 0.002 0.000 0.198 165 K C 2.007 178.661 176.600 0.090 0.000 1.048 165 K CA 1.022 57.381 56.287 0.120 0.000 0.987 165 K CB -0.395 32.229 32.500 0.206 0.000 0.800 165 K HN 0.395 8.645 8.250 0.000 0.000 0.486 166 S N 1.427 117.188 115.700 0.102 0.000 2.399 166 S HA -0.102 4.369 4.470 0.002 0.000 0.231 166 S C 2.023 176.672 174.600 0.082 0.000 1.022 166 S CA 1.231 59.483 58.200 0.085 0.000 0.983 166 S CB -0.084 63.168 63.200 0.087 0.000 0.803 166 S HN 0.405 8.715 8.310 0.000 0.000 0.480 167 A N 1.303 124.178 122.820 0.092 0.000 1.930 167 A HA 0.171 4.492 4.320 0.002 0.000 0.215 167 A C 2.027 179.651 177.584 0.066 0.000 1.176 167 A CA 0.617 52.708 52.037 0.090 0.000 0.632 167 A CB -0.634 18.431 19.000 0.108 0.000 0.819 167 A HN 0.440 8.590 8.150 0.000 0.000 0.445 168 L N -0.270 120.976 121.223 0.040 0.000 2.012 168 L HA -0.246 4.095 4.340 0.002 0.000 0.210 168 L C 2.469 179.300 176.870 -0.066 0.000 1.073 168 L CA 2.289 57.109 54.840 -0.033 0.000 0.748 168 L CB -0.475 41.543 42.059 -0.068 0.000 0.891 168 L HN 0.534 8.764 8.230 0.000 0.000 0.431 169 E N -0.791 119.391 120.200 -0.029 0.000 2.058 169 E HA -0.246 4.105 4.350 0.002 0.000 0.194 169 E C 2.252 178.872 176.600 0.033 0.000 0.997 169 E CA 1.567 57.951 56.400 -0.027 0.000 0.801 169 E CB -0.080 29.621 29.700 0.002 0.000 0.746 169 E HN 0.390 8.750 8.360 0.000 0.000 0.450 170 S N -0.099 115.652 115.700 0.085 0.000 2.365 170 S HA -0.172 4.299 4.470 0.002 0.000 0.225 170 S C 2.092 176.854 174.600 0.270 0.000 1.039 170 S CA 1.150 59.458 58.200 0.180 0.000 1.033 170 S CB -0.188 63.109 63.200 0.162 0.000 0.887 170 S HN 0.079 8.389 8.310 0.000 0.000 0.447 171 V N 2.154 122.165 119.914 0.162 0.000 2.287 171 V HA -0.227 3.893 4.120 0.002 0.000 0.248 171 V C 2.267 178.510 176.094 0.249 0.000 1.053 171 V CA 2.293 64.700 62.300 0.178 0.000 1.027 171 V CB -1.103 30.784 31.823 0.106 0.000 0.646 171 V HN 0.604 8.794 8.190 0.000 0.000 0.447 172 N N 0.147 118.918 118.700 0.119 0.000 2.149 172 N HA -0.216 4.525 4.740 0.002 0.000 0.188 172 N C 1.913 177.506 175.510 0.139 0.000 1.019 172 N CA 1.615 54.734 53.050 0.115 0.000 0.857 172 N CB -0.168 38.231 38.487 -0.147 0.000 0.997 172 N HN 0.432 8.812 8.380 0.000 0.000 0.426 173 R N -1.266 119.295 120.500 0.101 0.000 2.092 173 R HA -0.038 4.303 4.340 0.002 0.000 0.231 173 R C 1.674 177.930 176.300 -0.075 0.000 1.119 173 R CA 1.391 57.487 56.100 -0.006 0.000 0.970 173 R CB -0.346 29.912 30.300 -0.070 0.000 0.864 173 R HN 0.290 8.560 8.270 0.000 0.000 0.440 174 F N -0.351 119.630 119.950 0.050 0.000 2.367 174 F HA -0.094 4.434 4.527 0.001 0.000 0.298 174 F C 2.188 178.019 175.800 0.052 0.000 1.094 174 F CA 0.663 58.691 58.000 0.047 0.000 1.409 174 F CB -0.119 38.905 39.000 0.041 0.000 1.064 174 F HN -0.218 8.082 8.300 0.000 0.000 0.528 175 V N -0.218 119.844 119.914 0.247 0.000 2.427 175 V HA -0.267 3.854 4.120 0.002 0.000 0.248 175 V C 2.548 178.707 176.094 0.109 0.000 1.051 175 V CA 1.635 64.028 62.300 0.156 0.000 1.048 175 V CB -1.210 30.724 31.823 0.186 0.000 0.666 175 V HN 0.340 8.530 8.190 0.000 0.000 0.456 176 A N 0.150 123.031 122.820 0.103 0.000 1.933 176 A HA -0.229 4.092 4.320 0.002 0.000 0.218 176 A C 2.372 179.983 177.584 0.045 0.000 1.175 176 A CA 1.774 53.849 52.037 0.063 0.000 0.628 176 A CB -0.447 18.575 19.000 0.037 0.000 0.814 176 A HN 0.529 8.679 8.150 0.000 0.000 0.444 177 R N -0.478 120.041 120.500 0.030 0.000 2.073 177 R HA -0.108 4.233 4.340 0.002 0.000 0.234 177 R C 2.063 178.402 176.300 0.066 0.000 1.134 177 R CA 1.434 57.548 56.100 0.022 0.000 0.952 177 R CB -0.283 30.018 30.300 0.002 0.000 0.850 177 R HN 0.472 8.742 8.270 0.000 0.000 0.433 178 E N 0.731 120.992 120.200 0.102 0.000 2.072 178 E HA -0.096 4.255 4.350 0.002 0.000 0.190 178 E C 2.064 178.789 176.600 0.207 0.000 0.982 178 E CA 1.246 57.731 56.400 0.142 0.000 0.803 178 E CB -0.369 29.415 29.700 0.139 0.000 0.755 178 E HN 0.323 8.683 8.360 0.000 0.000 0.453 179 A N 1.257 124.168 122.820 0.151 0.000 1.986 179 A HA -0.129 4.192 4.320 0.002 0.000 0.220 179 A C 2.450 180.152 177.584 0.197 0.000 1.171 179 A CA 1.985 54.119 52.037 0.162 0.000 0.640 179 A CB -1.077 17.963 19.000 0.066 0.000 0.811 179 A HN 0.337 8.487 8.150 0.000 0.000 0.451 180 G N -0.455 108.417 108.800 0.119 0.000 2.422 180 G HA2 -0.173 3.788 3.960 0.002 0.000 0.218 180 G HA3 -0.173 3.788 3.960 0.002 0.000 0.218 180 G C 1.542 176.470 174.900 0.048 0.000 1.140 180 G CA 0.898 46.041 45.100 0.071 0.000 0.775 180 G HN 0.607 8.897 8.290 0.000 0.000 0.545 181 K N -0.629 119.786 120.400 0.025 0.000 2.281 181 K HA -0.086 4.235 4.320 0.002 0.000 0.203 181 K C 1.064 177.524 176.600 -0.234 0.000 1.046 181 K CA 0.887 57.097 56.287 -0.127 0.000 0.938 181 K CB -0.163 32.198 32.500 -0.232 0.000 0.737 181 K HN 0.525 8.775 8.250 0.000 0.000 0.458 182 Y N -0.351 119.946 120.300 -0.006 0.000 2.555 182 Y HA 0.229 4.780 4.550 0.002 0.000 0.259 182 Y C 1.096 176.991 175.900 -0.009 0.000 1.179 182 Y CA -0.195 57.900 58.100 -0.008 0.000 1.230 182 Y CB 0.768 39.222 38.460 -0.010 0.000 1.146 182 Y HN 0.101 8.381 8.280 0.000 0.000 0.526 183 G N 1.118 109.981 108.800 0.105 0.000 2.305 183 G HA2 -0.246 3.715 3.960 0.002 0.000 0.287 183 G HA3 -0.246 3.715 3.960 0.002 0.000 0.287 183 G C -0.380 174.559 174.900 0.065 0.000 1.036 183 G CA 0.439 45.577 45.100 0.063 0.000 0.887 183 G HN 0.183 8.473 8.290 0.000 0.000 0.505 184 V N -0.342 119.624 119.914 0.086 0.000 2.715 184 V HA 0.675 4.796 4.120 0.002 0.000 0.310 184 V C 0.540 176.662 176.094 0.047 0.000 1.054 184 V CA -1.042 61.291 62.300 0.056 0.000 0.928 184 V CB 1.946 33.794 31.823 0.042 0.000 1.007 184 V HN 0.412 8.602 8.190 0.000 0.000 0.437 185 R N 1.579 122.101 120.500 0.036 0.000 2.393 185 R HA 0.630 4.971 4.340 0.002 0.000 0.310 185 R C -0.639 175.695 176.300 0.057 0.000 0.968 185 R CA -0.316 55.809 56.100 0.042 0.000 0.867 185 R CB 1.838 32.160 30.300 0.036 0.000 1.124 185 R HN 0.636 8.906 8.270 0.000 0.000 0.450 186 S N 2.523 118.268 115.700 0.075 0.000 2.456 186 S HA 0.448 4.919 4.470 0.002 0.000 0.316 186 S C -0.955 173.711 174.600 0.111 0.000 1.089 186 S CA -0.725 57.553 58.200 0.131 0.000 1.101 186 S CB 0.389 63.691 63.200 0.171 0.000 0.995 186 S HN 0.535 8.845 8.310 0.000 0.000 0.468 187 N N 2.911 121.678 118.700 0.112 0.000 2.329 187 N HA 0.517 5.258 4.740 0.002 0.000 0.282 187 N C -1.785 173.723 175.510 -0.004 0.000 1.198 187 N CA -0.616 52.458 53.050 0.040 0.000 0.790 187 N CB 1.512 40.022 38.487 0.037 0.000 1.579 187 N HN 0.368 8.748 8.380 0.000 0.000 0.475 188 L N 0.882 122.055 121.223 -0.083 0.000 2.330 188 L HA 0.554 4.895 4.340 0.002 0.000 0.271 188 L C -0.498 176.293 176.870 -0.131 0.000 1.013 188 L CA -0.867 53.889 54.840 -0.139 0.000 0.816 188 L CB 1.844 43.779 42.059 -0.208 0.000 1.287 188 L HN 0.268 8.498 8.230 0.000 0.000 0.435 189 V N 2.783 122.637 119.914 -0.100 0.000 2.313 189 V HA 0.568 4.688 4.120 0.002 0.000 0.278 189 V C 0.146 176.169 176.094 -0.119 0.000 1.017 189 V CA -0.850 61.396 62.300 -0.090 0.000 0.823 189 V CB 1.268 33.093 31.823 0.003 0.000 1.010 189 V HN 0.841 9.031 8.190 0.000 0.000 0.443 190 A N 4.784 127.444 122.820 -0.266 0.000 2.666 190 A HA 0.759 5.079 4.320 0.002 0.000 0.312 190 A C 0.653 178.195 177.584 -0.071 0.000 1.471 190 A CA -0.013 51.875 52.037 -0.249 0.000 1.134 190 A CB -0.049 18.580 19.000 -0.619 0.000 1.129 190 A HN 1.095 9.245 8.150 0.000 0.000 0.539 191 A N 2.250 125.097 122.820 0.044 0.000 2.316 191 A HA 0.687 5.008 4.320 0.002 0.000 0.284 191 A C 0.918 178.515 177.584 0.021 0.000 1.115 191 A CA 0.163 52.253 52.037 0.089 0.000 0.812 191 A CB 0.305 19.395 19.000 0.151 0.000 1.064 191 A HN 1.281 9.431 8.150 0.000 0.000 0.489 192 G N 0.603 109.200 108.800 -0.337 0.000 2.651 192 G HA2 0.495 4.456 3.960 0.002 0.000 0.260 192 G HA3 0.495 4.456 3.960 0.002 0.000 0.260 192 G C -2.505 172.161 174.900 -0.391 0.000 1.216 192 G CA -1.198 43.329 45.100 -0.955 0.000 0.913 192 G HN 0.585 8.875 8.290 0.000 0.000 0.535 193 P HA 0.174 4.594 4.420 0.000 0.000 0.266 193 P C -0.601 176.748 177.300 0.083 0.000 1.215 193 P CA 0.149 63.050 63.100 -0.332 0.000 0.763 193 P CB 0.862 32.290 31.700 -0.452 0.000 0.806 194 I N 4.109 124.693 120.570 0.023 0.000 2.433 194 I HA 0.289 4.460 4.170 0.002 0.000 0.292 194 I C 1.029 177.141 176.117 -0.009 0.000 1.001 194 I CA -1.011 60.320 61.300 0.051 0.000 1.119 194 I CB 1.574 39.609 38.000 0.059 0.000 1.289 194 I HN 0.174 8.384 8.210 0.000 0.000 0.438 195 R N 4.492 124.986 120.500 -0.011 0.000 2.402 195 R HA 0.232 4.573 4.340 0.002 0.000 0.331 195 R C 0.042 176.342 176.300 -0.001 0.000 1.040 195 R CA 0.254 56.347 56.100 -0.012 0.000 0.980 195 R CB 0.386 30.678 30.300 -0.014 0.000 0.967 195 R HN 0.734 9.004 8.270 0.000 0.000 0.440 196 T N 1.418 115.974 114.554 0.003 0.000 2.977 196 T HA 0.263 4.614 4.350 0.002 0.000 0.152 196 T C 1.479 176.187 174.700 0.014 0.000 0.867 196 T CA -0.235 61.876 62.100 0.018 0.000 0.917 196 T CB 0.112 68.999 68.868 0.032 0.000 2.051 196 T HN 0.314 8.554 8.240 0.000 0.000 0.350 197 L N 0.051 121.286 121.223 0.020 0.000 2.919 197 L HA 0.619 4.960 4.340 0.002 0.000 0.169 197 L C 0.956 177.841 176.870 0.025 0.000 1.228 197 L CA -0.182 54.673 54.840 0.025 0.000 0.862 197 L CB -0.204 41.879 42.059 0.040 0.000 1.313 197 L HN 0.312 8.542 8.230 0.000 0.000 0.526 198 A N 1.356 124.196 122.820 0.033 0.000 2.444 198 A HA 0.375 4.696 4.320 0.002 0.000 0.273 198 A C 0.220 177.802 177.584 -0.003 0.000 1.136 198 A CA -0.136 51.916 52.037 0.025 0.000 0.799 198 A CB -0.226 18.797 19.000 0.038 0.000 1.081 198 A HN 0.379 8.529 8.150 0.000 0.000 0.509 221 G N 1.026 109.923 108.800 0.162 0.000 2.492 221 G HA2 -0.160 3.801 3.960 0.002 0.000 0.214 221 G HA3 -0.160 3.801 3.960 0.002 0.000 0.214 221 G C 1.143 176.117 174.900 0.125 0.000 1.147 221 G CA 0.416 45.585 45.100 0.115 0.000 0.809 221 G HN 0.295 8.585 8.290 0.000 0.000 0.533 222 W N 1.519 122.844 121.300 0.043 0.000 2.388 222 W HA -0.048 4.612 4.660 0.001 0.000 0.294 222 W C 1.841 178.418 176.519 0.097 0.000 1.212 222 W CA 1.624 58.980 57.345 0.018 0.000 1.271 222 W CB -0.146 29.302 29.460 -0.020 0.000 1.126 222 W HN 0.335 8.515 8.180 0.000 0.000 0.535 223 D N -0.299 120.346 120.400 0.407 0.000 2.117 223 D HA -0.233 4.408 4.640 0.002 0.000 0.197 223 D C 2.207 178.602 176.300 0.157 0.000 0.987 223 D CA 1.730 55.915 54.000 0.308 0.000 0.829 223 D CB -0.228 40.722 40.800 0.249 0.000 0.961 223 D HN 0.106 8.476 8.370 0.000 0.000 0.460 224 Q N -0.368 119.494 119.800 0.104 0.000 2.030 224 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 224 Q C 2.437 178.434 176.000 -0.004 0.000 0.986 224 Q CA 1.381 57.209 55.803 0.041 0.000 0.843 224 Q CB -0.003 28.749 28.738 0.024 0.000 0.904 224 Q HN 0.194 8.464 8.270 0.000 0.000 0.420 225 R N 0.182 120.646 120.500 -0.060 0.000 2.073 225 R HA -0.014 4.327 4.340 0.002 0.000 0.234 225 R C 0.587 176.817 176.300 -0.117 0.000 1.134 225 R CA 0.744 56.759 56.100 -0.143 0.000 0.952 225 R CB -0.338 29.787 30.300 -0.292 0.000 0.850 225 R HN 0.147 8.417 8.270 0.000 0.000 0.433 226 A N 1.840 124.616 122.820 -0.075 0.000 2.540 226 A HA 0.060 4.381 4.320 0.002 0.000 0.264 226 A C -1.746 175.863 177.584 0.042 0.000 1.080 226 A CA -0.866 51.181 52.037 0.017 0.000 0.776 226 A CB -0.028 19.093 19.000 0.203 0.000 1.011 226 A HN 0.122 8.272 8.150 0.000 0.000 0.514 227 P HA -0.207 4.213 4.420 0.000 0.000 0.217 227 P C 0.739 178.067 177.300 0.046 0.000 1.151 227 P CA 1.674 64.783 63.100 0.015 0.000 0.849 227 P CB -0.077 31.621 31.700 -0.003 0.000 0.787 228 I N -5.590 115.029 120.570 0.083 0.000 3.856 228 I HA 0.506 4.677 4.170 0.002 0.000 0.333 228 I C 0.680 176.871 176.117 0.125 0.000 1.525 228 I CA -0.549 60.806 61.300 0.091 0.000 1.173 228 I CB -0.538 37.517 38.000 0.092 0.000 1.175 228 I HN -0.119 8.091 8.210 0.000 0.000 0.424 229 G N 1.117 110.002 108.800 0.143 0.000 2.954 229 G HA2 -0.283 3.678 3.960 0.002 0.000 0.672 229 G HA3 -0.283 3.678 3.960 0.002 0.000 0.672 229 G C -1.030 174.063 174.900 0.322 0.000 1.598 229 G CA -0.197 45.016 45.100 0.188 0.000 1.063 229 G HN 0.595 8.885 8.290 0.000 0.000 0.584 230 W N 2.041 123.418 121.300 0.128 0.000 2.915 230 W HA 0.625 5.285 4.660 0.001 0.000 0.337 230 W C -1.086 175.492 176.519 0.099 0.000 1.102 230 W CA -0.937 56.504 57.345 0.159 0.000 1.224 230 W CB 2.280 31.936 29.460 0.327 0.000 1.416 230 W HN 0.634 8.814 8.180 0.000 0.000 0.503 231 N N 5.293 123.437 118.700 -0.927 0.000 2.617 231 N HA 0.144 4.885 4.740 0.002 0.000 0.263 231 N C 0.912 175.997 175.510 -0.708 0.000 1.074 231 N CA -0.317 52.378 53.050 -0.591 0.000 0.841 231 N CB 0.907 39.155 38.487 -0.398 0.000 1.221 231 N HN 0.512 8.892 8.380 0.000 0.000 0.529 232 M N 0.867 120.275 119.600 -0.321 0.000 2.549 232 M HA 0.051 4.532 4.480 0.002 0.000 0.260 232 M C 0.417 176.642 176.300 -0.126 0.000 1.076 232 M CA 1.221 56.455 55.300 -0.111 0.000 1.090 232 M CB -0.095 32.547 32.600 0.070 0.000 1.418 232 M HN 0.125 8.415 8.290 0.000 0.000 0.486 233 K N 0.464 120.773 120.400 -0.152 0.000 2.404 233 K HA 0.083 4.404 4.320 0.002 0.000 0.194 233 K C -0.369 176.135 176.600 -0.161 0.000 1.023 233 K CA 0.163 56.380 56.287 -0.118 0.000 1.094 233 K CB 0.175 32.625 32.500 -0.083 0.000 0.841 233 K HN 0.251 8.501 8.250 0.000 0.000 0.523 234 D N 0.066 120.317 120.400 -0.249 0.000 2.453 234 D HA 0.248 4.889 4.640 0.002 0.000 0.238 234 D C -0.106 175.997 176.300 -0.330 0.000 1.088 234 D CA -0.401 53.435 54.000 -0.274 0.000 0.854 234 D CB 1.510 42.154 40.800 -0.261 0.000 1.076 234 D HN 0.054 8.424 8.370 0.000 0.000 0.533 235 A N 2.770 125.359 122.820 -0.385 0.000 2.275 235 A HA 0.076 4.397 4.320 0.002 0.000 0.212 235 A C 1.770 179.209 177.584 -0.241 0.000 1.201 235 A CA 0.339 52.169 52.037 -0.346 0.000 0.843 235 A CB -0.050 18.639 19.000 -0.518 0.000 0.873 235 A HN 0.558 8.708 8.150 0.000 0.000 0.492 236 T N 1.321 115.747 114.554 -0.213 0.000 2.857 236 T HA -0.053 4.298 4.350 0.002 0.000 0.266 236 T C -0.344 174.339 174.700 -0.029 0.000 1.048 236 T CA 1.650 63.705 62.100 -0.075 0.000 1.139 236 T CB -0.875 67.965 68.868 -0.046 0.000 0.874 236 T HN 0.379 8.619 8.240 0.000 0.000 0.455 237 P HA -0.046 4.374 4.420 0.000 0.000 0.215 237 P C 1.695 179.041 177.300 0.077 0.000 1.157 237 P CA 0.663 63.768 63.100 0.009 0.000 0.868 237 P CB -0.283 31.402 31.700 -0.025 0.000 0.788 238 V N 0.483 120.456 119.914 0.099 0.000 2.255 238 V HA -0.297 3.824 4.120 0.002 0.000 0.247 238 V C 2.534 178.692 176.094 0.106 0.000 1.051 238 V CA 2.446 64.835 62.300 0.149 0.000 1.018 238 V CB -1.910 30.020 31.823 0.178 0.000 0.641 238 V HN 0.115 8.305 8.190 0.000 0.000 0.445 239 A N -0.592 122.278 122.820 0.084 0.000 1.933 239 A HA -0.246 4.075 4.320 0.002 0.000 0.218 239 A C 2.307 179.936 177.584 0.076 0.000 1.175 239 A CA 2.007 54.099 52.037 0.091 0.000 0.628 239 A CB -0.465 18.603 19.000 0.113 0.000 0.814 239 A HN 0.564 8.714 8.150 0.000 0.000 0.444 240 K N -0.924 119.515 120.400 0.066 0.000 2.026 240 K HA -0.117 4.204 4.320 0.002 0.000 0.208 240 K C 2.117 178.759 176.600 0.070 0.000 1.048 240 K CA 1.813 58.136 56.287 0.059 0.000 0.929 240 K CB -0.472 32.057 32.500 0.048 0.000 0.713 240 K HN 0.487 8.737 8.250 0.000 0.000 0.439 241 T N 1.168 115.770 114.554 0.081 0.000 2.720 241 T HA -0.126 4.225 4.350 0.002 0.000 0.268 241 T C 1.995 176.744 174.700 0.081 0.000 1.037 241 T CA 1.376 63.528 62.100 0.087 0.000 1.144 241 T CB -0.214 68.715 68.868 0.101 0.000 0.864 241 T HN -0.035 8.205 8.240 0.000 0.000 0.444 242 V N 0.664 120.626 119.914 0.081 0.000 2.358 242 V HA -0.182 3.939 4.120 0.002 0.000 0.246 242 V C 2.831 178.971 176.094 0.076 0.000 1.047 242 V CA 1.246 63.592 62.300 0.078 0.000 1.035 242 V CB -0.863 31.009 31.823 0.081 0.000 0.658 242 V HN 0.591 8.781 8.190 0.000 0.000 0.452 243 C N 0.393 119.737 119.300 0.073 0.000 2.429 243 C HA -0.083 4.378 4.460 0.002 0.000 0.277 243 C C 3.146 178.190 174.990 0.091 0.000 1.262 243 C CA 0.777 59.839 59.018 0.072 0.000 1.733 243 C CB -1.329 26.448 27.740 0.063 0.000 2.010 243 C HN 0.630 8.860 8.230 0.000 0.000 0.483 244 A N 0.170 123.048 122.820 0.097 0.000 1.948 244 A HA -0.142 4.179 4.320 0.002 0.000 0.220 244 A C 2.105 179.767 177.584 0.128 0.000 1.177 244 A CA 1.512 53.623 52.037 0.123 0.000 0.636 244 A CB -0.568 18.495 19.000 0.105 0.000 0.815 244 A HN 0.512 8.662 8.150 0.000 0.000 0.449 245 L N -0.756 120.526 121.223 0.098 0.000 2.056 245 L HA -0.078 4.263 4.340 0.002 0.000 0.207 245 L C 2.499 179.415 176.870 0.076 0.000 1.078 245 L CA 1.444 56.335 54.840 0.085 0.000 0.749 245 L CB -1.256 40.847 42.059 0.072 0.000 0.901 245 L HN 0.412 8.642 8.230 0.000 0.000 0.433 246 L N -0.468 120.799 121.223 0.074 0.000 2.201 246 L HA -0.118 4.222 4.340 0.002 0.000 0.212 246 L C 1.861 178.766 176.870 0.058 0.000 1.105 246 L CA 0.319 55.195 54.840 0.060 0.000 0.775 246 L CB -0.494 41.598 42.059 0.055 0.000 0.913 246 L HN 0.307 8.537 8.230 0.000 0.000 0.440 247 S N -0.932 114.822 115.700 0.091 0.000 2.626 247 S HA -0.018 4.453 4.470 0.002 0.000 0.257 247 S C 0.580 175.195 174.600 0.026 0.000 1.288 247 S CA -0.457 57.805 58.200 0.104 0.000 0.980 247 S CB 0.553 63.908 63.200 0.258 0.000 0.975 247 S HN 0.142 8.452 8.310 0.000 0.000 0.577 248 D N -0.163 120.168 120.400 -0.116 0.000 2.460 248 D HA 0.167 4.808 4.640 0.002 0.000 0.229 248 D C -0.333 175.690 176.300 -0.461 0.000 1.170 248 D CA 0.193 54.020 54.000 -0.287 0.000 0.827 248 D CB -0.180 40.395 40.800 -0.376 0.000 0.973 248 D HN 0.667 9.037 8.370 0.000 0.000 0.496 249 W N 0.040 121.353 121.300 0.022 0.000 3.220 249 W HA 0.253 4.914 4.660 0.001 0.000 0.328 249 W C 0.530 177.064 176.519 0.025 0.000 1.205 249 W CA -0.188 57.170 57.345 0.022 0.000 1.773 249 W CB 0.581 30.055 29.460 0.023 0.000 1.086 249 W HN -0.136 8.044 8.180 0.000 0.000 0.622 250 L N 2.212 123.527 121.223 0.154 0.000 2.732 250 L HA 0.279 4.620 4.340 0.002 0.000 0.246 250 L C -1.518 175.380 176.870 0.048 0.000 1.407 250 L CA -1.051 53.853 54.840 0.106 0.000 0.861 250 L CB 0.795 42.918 42.059 0.106 0.000 1.161 250 L HN -0.266 7.964 8.230 0.000 0.000 0.510 251 P HA -0.000 4.420 4.420 0.000 0.000 0.236 251 P C 0.900 178.200 177.300 0.001 0.000 1.177 251 P CA 0.489 63.579 63.100 -0.016 0.000 0.773 251 P CB 0.602 32.266 31.700 -0.061 0.000 0.878 252 A N -0.646 122.184 122.820 0.017 0.000 2.545 252 A HA 0.341 4.662 4.320 0.002 0.000 0.277 252 A C 0.332 177.932 177.584 0.026 0.000 1.301 252 A CA 0.085 52.134 52.037 0.019 0.000 0.935 252 A CB -0.412 18.600 19.000 0.020 0.000 1.093 252 A HN 0.025 8.175 8.150 0.000 0.000 0.519 253 T N 0.406 114.979 114.554 0.032 0.000 2.815 253 T HA 0.585 4.936 4.350 0.002 0.000 0.289 253 T C -0.677 174.043 174.700 0.034 0.000 1.000 253 T CA -0.159 61.963 62.100 0.036 0.000 0.958 253 T CB 1.358 70.255 68.868 0.049 0.000 0.944 253 T HN 0.178 8.418 8.240 0.000 0.000 0.442 254 T N 1.292 115.863 114.554 0.029 0.000 3.012 254 T HA 0.532 4.883 4.350 0.002 0.000 0.330 254 T C 0.636 175.349 174.700 0.021 0.000 1.321 254 T CA 0.588 62.706 62.100 0.029 0.000 1.067 254 T CB 0.918 69.803 68.868 0.028 0.000 1.235 254 T HN 1.041 9.281 8.240 0.000 0.000 0.479 255 G N 2.962 111.777 108.800 0.026 0.000 2.198 255 G HA2 -0.149 3.812 3.960 0.002 0.000 0.260 255 G HA3 -0.149 3.812 3.960 0.002 0.000 0.260 255 G C -0.186 174.715 174.900 0.002 0.000 1.025 255 G CA 0.617 45.725 45.100 0.013 0.000 0.769 255 G HN 0.820 9.110 8.290 0.000 0.000 0.507 256 D N -0.901 119.500 120.400 0.001 0.000 2.553 256 D HA 0.770 5.411 4.640 0.002 0.000 0.249 256 D C 0.020 176.293 176.300 -0.045 0.000 1.062 256 D CA -0.581 53.418 54.000 -0.001 0.000 1.085 256 D CB 1.617 42.430 40.800 0.021 0.000 1.350 256 D HN 0.131 8.501 8.370 0.000 0.000 0.575 257 I N 1.362 121.895 120.570 -0.062 0.000 2.534 257 I HA 0.324 4.495 4.170 0.002 0.000 0.288 257 I C -0.903 175.077 176.117 -0.229 0.000 1.077 257 I CA -0.666 60.496 61.300 -0.230 0.000 1.051 257 I CB 2.039 39.814 38.000 -0.375 0.000 1.234 257 I HN 0.159 8.369 8.210 0.000 0.000 0.425 258 I N 6.427 126.842 120.570 -0.257 0.000 2.382 258 I HA 0.259 4.430 4.170 0.002 0.000 0.286 258 I C -0.912 175.097 176.117 -0.180 0.000 1.002 258 I CA -0.339 60.911 61.300 -0.084 0.000 1.135 258 I CB 0.829 38.835 38.000 0.011 0.000 1.288 258 I HN 0.275 8.485 8.210 0.000 0.000 0.448 259 Y N 5.281 125.564 120.300 -0.028 0.000 2.556 259 Y HA 0.506 5.057 4.550 0.001 0.000 0.352 259 Y C 0.819 176.739 175.900 0.032 0.000 1.006 259 Y CA -0.677 57.373 58.100 -0.085 0.000 1.277 259 Y CB 0.718 39.001 38.460 -0.295 0.000 1.136 259 Y HN 0.642 8.922 8.280 0.000 0.000 0.523 260 A N 3.018 125.915 122.820 0.128 0.000 3.094 260 A HA 0.275 4.596 4.320 0.002 0.000 0.288 260 A C 0.165 177.867 177.584 0.197 0.000 1.519 260 A CA -0.416 51.748 52.037 0.212 0.000 1.227 260 A CB -0.632 18.498 19.000 0.216 0.000 1.175 260 A HN 0.734 8.884 8.150 0.000 0.000 0.568 261 D N -0.041 120.446 120.400 0.144 0.000 2.620 261 D HA 0.202 4.843 4.640 0.002 0.000 0.260 261 D C 0.879 177.241 176.300 0.103 0.000 1.367 261 D CA 0.323 54.250 54.000 -0.121 0.000 0.805 261 D CB -0.601 40.272 40.800 0.122 0.000 1.096 261 D HN 0.829 9.199 8.370 0.000 0.000 0.488 262 G N 0.411 109.443 108.800 0.387 0.000 2.233 262 G HA2 -0.122 3.839 3.960 0.002 0.000 0.270 262 G HA3 -0.122 3.839 3.960 0.002 0.000 0.270 262 G C 1.273 176.283 174.900 0.183 0.000 1.011 262 G CA 0.729 46.061 45.100 0.388 0.000 0.762 262 G HN 1.478 9.768 8.290 0.000 0.000 0.511 263 G N -1.643 107.240 108.800 0.139 0.000 2.159 263 G HA2 0.072 4.033 3.960 0.002 0.000 0.256 263 G HA3 0.072 4.033 3.960 0.002 0.000 0.256 263 G C 1.616 176.455 174.900 -0.102 0.000 0.977 263 G CA 1.272 46.395 45.100 0.038 0.000 0.652 263 G HN 2.047 10.337 8.290 0.000 0.000 0.531 264 A N 0.548 123.272 122.820 -0.160 0.000 1.940 264 A HA -0.002 4.319 4.320 0.002 0.000 0.219 264 A C 1.812 179.127 177.584 -0.447 0.000 1.176 264 A CA 2.380 54.149 52.037 -0.446 0.000 0.631 264 A CB -0.789 17.596 19.000 -1.025 0.000 0.814 264 A HN 1.708 9.858 8.150 0.000 0.000 0.446 265 H N -1.030 117.771 119.070 -0.448 0.000 2.559 265 H HA 0.031 4.588 4.556 0.001 0.000 0.273 265 H C 1.522 176.650 175.328 -0.332 0.000 1.000 265 H CA 1.590 57.395 56.048 -0.406 0.000 1.195 265 H CB -0.469 29.078 29.762 -0.359 0.000 1.368 265 H HN 0.434 8.714 8.280 0.000 0.000 0.592 266 T N -2.822 111.296 114.554 -0.727 0.000 3.081 266 T HA 0.092 4.443 4.350 0.002 0.000 0.250 266 T C 0.489 174.981 174.700 -0.346 0.000 1.100 266 T CA -0.436 61.303 62.100 -0.603 0.000 1.038 266 T CB 0.171 68.735 68.868 -0.506 0.000 0.962 266 T HN 0.247 8.487 8.240 0.000 0.000 0.516 267 Q N 0.311 119.929 119.800 -0.303 0.000 2.377 267 Q HA 0.508 4.849 4.340 0.002 0.000 0.271 267 Q C 0.294 176.166 176.000 -0.213 0.000 1.077 267 Q CA -0.699 54.971 55.803 -0.222 0.000 0.820 267 Q CB 2.494 31.116 28.738 -0.194 0.000 1.347 267 Q HN 0.169 8.439 8.270 0.000 0.000 0.444 268 L N 1.191 122.315 121.223 -0.164 0.000 2.130 268 L HA 0.201 4.542 4.340 0.002 0.000 0.200 268 L C -0.043 176.748 176.870 -0.132 0.000 1.075 268 L CA 1.535 56.288 54.840 -0.144 0.000 0.768 268 L CB 0.349 42.341 42.059 -0.112 0.000 0.933 268 L HN 0.432 8.662 8.230 0.000 0.000 0.451 269 L N 0.000 121.156 121.223 -0.112 0.000 2.949 269 L HA 0.000 4.341 4.340 0.002 0.000 0.249 269 L CA 0.000 54.786 54.840 -0.091 0.000 0.813 269 L CB 0.000 42.019 42.059 -0.066 0.000 0.961 269 L HN 0.000 8.230 8.230 0.000 0.000 0.502