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 1rvj_1_M DATA FIRST_RESID 1 DATA SEQUENCE AEYQNIFSQV QVRGPADLGM TEDVNLANRS GVGPFSTLLG WFGNAQLGPI DATA SEQUENCE YLGSLGVLSL FSGLMWFFTI GIWFWYQAGW NPAVFLRDLF FFSLEPPAPE DATA SEQUENCE YGLSFAAPLK EGGLWLIASF FMFVAVWSWW GRTYLRAQAL GMGKHTAWAF DATA SEQUENCE LSAIWLWMVL GFIRPILMGS WSEAVPYGIF SHLDWTNNFS LVHGNLFYNP DATA SEQUENCE FHGLSIAFLY GSALLFAMHG ATILAVSRFG GERELEQIAD RGTAAERAAL DATA SEQUENCE FWRWTMGFNA TMEGIHRWAI WMAVLVTLTG GIGILLSGTV VDNWYVWGQN DATA SEQUENCE H 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.614 177.584 0.049 0.000 1.274 1 A CA 0.000 52.056 52.037 0.032 0.000 0.836 1 A CB 0.000 19.014 19.000 0.023 0.000 0.831 2 E N 0.637 120.865 120.200 0.046 0.000 2.392 2 E HA 0.274 4.625 4.350 0.001 0.000 0.264 2 E C -1.218 175.445 176.600 0.104 0.000 1.024 2 E CA 0.033 56.471 56.400 0.063 0.000 0.903 2 E CB 0.617 30.335 29.700 0.029 0.000 0.963 2 E HN 0.418 nan 8.360 nan 0.000 0.432 3 Y N 2.745 123.037 120.300 -0.013 0.000 2.346 3 Y HA -0.020 4.531 4.550 0.001 0.000 0.330 3 Y C 0.965 176.852 175.900 -0.021 0.000 1.178 3 Y CA 0.243 58.338 58.100 -0.009 0.000 1.331 3 Y CB 0.798 39.254 38.460 -0.007 0.000 1.253 3 Y HN 0.372 nan 8.280 nan 0.000 0.529 4 Q N 2.919 122.409 119.800 -0.518 0.000 2.392 4 Q HA 0.009 4.350 4.340 0.001 0.000 0.219 4 Q C 0.177 175.726 176.000 -0.750 0.000 0.895 4 Q CA 0.534 56.034 55.803 -0.505 0.000 0.929 4 Q CB 0.140 28.730 28.738 -0.248 0.000 1.077 4 Q HN 0.922 nan 8.270 nan 0.000 0.532 5 N N 0.196 118.058 118.700 -1.398 0.000 2.815 5 N HA -0.149 4.591 4.740 0.001 0.000 0.249 5 N C 0.299 175.606 175.510 -0.339 0.000 1.114 5 N CA 0.305 52.855 53.050 -0.834 0.000 0.717 5 N CB -0.677 37.495 38.487 -0.525 0.000 1.074 5 N HN 0.163 nan 8.380 nan 0.000 0.555 6 I N -1.184 119.226 120.570 -0.267 0.000 2.731 6 I HA 0.162 4.333 4.170 0.001 0.000 0.260 6 I C 0.688 176.616 176.117 -0.316 0.000 1.138 6 I CA 1.040 62.158 61.300 -0.304 0.000 1.461 6 I CB -0.394 37.410 38.000 -0.327 0.000 1.128 6 I HN 0.002 nan 8.210 nan 0.000 0.438 7 F N 0.237 120.296 119.950 0.182 0.000 2.576 7 F HA 0.413 4.941 4.527 0.001 0.000 0.313 7 F C 0.748 176.770 175.800 0.370 0.000 1.078 7 F CA -1.117 57.059 58.000 0.295 0.000 0.921 7 F CB 1.419 40.570 39.000 0.251 0.000 1.232 7 F HN -0.344 nan 8.300 nan 0.000 0.459 8 S N 1.658 117.728 115.700 0.616 0.000 2.562 8 S HA 0.074 4.544 4.470 0.001 0.000 0.281 8 S C 0.991 175.872 174.600 0.469 0.000 1.333 8 S CA -0.409 58.066 58.200 0.459 0.000 1.052 8 S CB 1.045 64.429 63.200 0.307 0.000 0.884 8 S HN 0.698 nan 8.310 nan 0.000 0.506 9 Q N 0.510 120.427 119.800 0.196 0.000 2.187 9 Q HA 0.130 4.470 4.340 0.001 0.000 0.199 9 Q C 0.183 176.315 176.000 0.219 0.000 0.957 9 Q CA 0.656 56.519 55.803 0.100 0.000 0.857 9 Q CB 0.353 28.972 28.738 -0.198 0.000 0.929 9 Q HN 0.453 nan 8.270 nan 0.000 0.453 10 V N 0.528 120.538 119.914 0.159 0.000 2.817 10 V HA 0.226 4.346 4.120 0.001 0.000 0.303 10 V C -1.809 174.279 176.094 -0.009 0.000 1.151 10 V CA -0.726 61.633 62.300 0.098 0.000 0.929 10 V CB 2.160 34.002 31.823 0.031 0.000 1.030 10 V HN 0.086 nan 8.190 nan 0.000 0.427 11 Q N 3.783 123.503 119.800 -0.133 0.000 2.235 11 Q HA 0.767 5.107 4.340 0.001 0.000 0.256 11 Q C -0.791 175.131 176.000 -0.130 0.000 0.951 11 Q CA -0.710 54.975 55.803 -0.195 0.000 0.890 11 Q CB 2.467 30.962 28.738 -0.404 0.000 1.279 11 Q HN 0.867 nan 8.270 nan 0.000 0.444 12 V N -0.817 119.037 119.914 -0.101 0.000 2.823 12 V HA 0.814 4.934 4.120 0.001 0.000 0.312 12 V C -0.935 175.107 176.094 -0.087 0.000 1.072 12 V CA -1.004 61.246 62.300 -0.083 0.000 0.937 12 V CB 2.116 33.907 31.823 -0.054 0.000 1.013 12 V HN 0.774 nan 8.190 nan 0.000 0.430 13 R N 1.205 121.640 120.500 -0.108 0.000 2.771 13 R HA 0.863 5.203 4.340 0.001 0.000 0.274 13 R C -0.143 176.081 176.300 -0.127 0.000 0.987 13 R CA 0.321 56.337 56.100 -0.140 0.000 0.908 13 R CB 2.341 32.481 30.300 -0.267 0.000 1.213 13 R HN 1.336 nan 8.270 nan 0.000 0.468 14 G N 1.795 110.532 108.800 -0.106 0.000 2.921 14 G HA2 0.522 4.483 3.960 0.001 0.000 0.291 14 G HA3 0.522 4.483 3.960 0.001 0.000 0.291 14 G C -2.587 172.277 174.900 -0.060 0.000 1.370 14 G CA -1.176 43.880 45.100 -0.073 0.000 0.847 14 G HN 0.483 nan 8.290 nan 0.000 0.532 15 P HA 0.378 nan 4.420 nan 0.000 0.266 15 P C 0.125 177.485 177.300 0.100 0.000 1.193 15 P CA 0.088 63.198 63.100 0.017 0.000 0.770 15 P CB 0.500 32.208 31.700 0.013 0.000 0.836 16 A N 2.092 125.019 122.820 0.177 0.000 2.548 16 A HA 0.026 4.346 4.320 0.001 0.000 0.247 16 A C 0.480 178.133 177.584 0.116 0.000 1.067 16 A CA 0.055 52.249 52.037 0.261 0.000 0.757 16 A CB -0.353 18.784 19.000 0.228 0.000 0.996 16 A HN 0.543 nan 8.150 nan 0.000 0.504 17 D N 2.732 123.187 120.400 0.091 0.000 2.339 17 D HA 0.190 4.830 4.640 0.001 0.000 0.256 17 D C 0.725 177.033 176.300 0.014 0.000 1.214 17 D CA 0.004 54.028 54.000 0.039 0.000 0.877 17 D CB 0.624 41.440 40.800 0.028 0.000 1.111 17 D HN 0.511 nan 8.370 nan 0.000 0.478 18 L N 3.170 124.399 121.223 0.010 0.000 2.591 18 L HA 0.216 4.556 4.340 0.001 0.000 0.228 18 L C 1.480 178.347 176.870 -0.005 0.000 1.133 18 L CA 0.149 54.989 54.840 0.001 0.000 0.880 18 L CB -0.647 41.415 42.059 0.004 0.000 1.033 18 L HN 0.611 nan 8.230 nan 0.000 0.450 19 G N 0.538 109.333 108.800 -0.008 0.000 2.829 19 G HA2 -0.214 3.746 3.960 0.001 0.000 0.628 19 G HA3 -0.214 3.746 3.960 0.001 0.000 0.628 19 G C -0.266 174.625 174.900 -0.016 0.000 1.412 19 G CA -0.874 44.217 45.100 -0.015 0.000 0.864 19 G HN -0.087 nan 8.290 nan 0.000 0.544 20 M N 0.629 120.215 119.600 -0.025 0.000 2.245 20 M HA 0.243 4.723 4.480 0.001 0.000 0.344 20 M C 1.735 178.020 176.300 -0.025 0.000 1.170 20 M CA 0.586 55.870 55.300 -0.027 0.000 1.135 20 M CB 0.094 32.670 32.600 -0.039 0.000 1.574 20 M HN 0.673 nan 8.290 nan 0.000 0.452 21 T N 0.488 115.030 114.554 -0.020 0.000 2.837 21 T HA 0.002 4.352 4.350 0.001 0.000 0.248 21 T C 0.902 175.588 174.700 -0.023 0.000 1.033 21 T CA 0.550 62.642 62.100 -0.014 0.000 1.150 21 T CB 0.063 68.926 68.868 -0.009 0.000 0.865 21 T HN 0.737 nan 8.240 nan 0.000 0.425 22 E N 0.791 120.974 120.200 -0.028 0.000 3.440 22 E HA -0.218 4.133 4.350 0.001 0.000 0.328 22 E C -0.230 176.352 176.600 -0.031 0.000 1.514 22 E CA 1.682 58.060 56.400 -0.036 0.000 1.926 22 E CB -1.031 28.637 29.700 -0.053 0.000 1.874 22 E HN 0.337 nan 8.360 nan 0.000 0.471 23 D N -0.297 120.078 120.400 -0.042 0.000 2.370 23 D HA 0.198 4.838 4.640 0.001 0.000 0.230 23 D C -0.667 175.616 176.300 -0.029 0.000 1.143 23 D CA 0.122 54.102 54.000 -0.034 0.000 0.834 23 D CB 0.100 40.875 40.800 -0.042 0.000 0.944 23 D HN 0.098 nan 8.370 nan 0.000 0.504 24 V N 1.504 121.405 119.914 -0.022 0.000 2.583 24 V HA 0.064 4.185 4.120 0.001 0.000 0.287 24 V C 0.672 176.813 176.094 0.078 0.000 1.051 24 V CA -0.826 61.483 62.300 0.014 0.000 1.010 24 V CB 1.221 33.049 31.823 0.009 0.000 0.988 24 V HN 0.125 nan 8.190 nan 0.000 0.478 25 N N 4.027 122.824 118.700 0.161 0.000 2.448 25 N HA 0.115 4.856 4.740 0.001 0.000 0.250 25 N C 0.601 176.164 175.510 0.089 0.000 1.136 25 N CA -0.192 52.928 53.050 0.116 0.000 0.953 25 N CB 0.647 39.202 38.487 0.114 0.000 1.251 25 N HN 0.520 nan 8.380 nan 0.000 0.502 26 L N 3.033 124.278 121.223 0.037 0.000 2.349 26 L HA -0.108 4.232 4.340 0.001 0.000 0.220 26 L C 2.273 179.107 176.870 -0.060 0.000 1.130 26 L CA 1.332 56.172 54.840 0.000 0.000 0.791 26 L CB -0.669 41.388 42.059 -0.002 0.000 0.918 26 L HN 0.627 nan 8.230 nan 0.000 0.444 27 A N -0.249 122.529 122.820 -0.070 0.000 1.972 27 A HA -0.169 4.151 4.320 0.001 0.000 0.219 27 A C 2.046 179.522 177.584 -0.180 0.000 1.169 27 A CA 1.672 53.651 52.037 -0.097 0.000 0.635 27 A CB -0.422 18.534 19.000 -0.074 0.000 0.810 27 A HN 0.492 nan 8.150 nan 0.000 0.446 28 N N -0.861 117.650 118.700 -0.315 0.000 2.412 28 N HA 0.022 4.762 4.740 0.001 0.000 0.184 28 N C 0.562 175.700 175.510 -0.620 0.000 1.101 28 N CA 0.189 52.886 53.050 -0.588 0.000 0.881 28 N CB -0.045 37.803 38.487 -1.066 0.000 0.969 28 N HN 0.381 nan 8.380 nan 0.000 0.459 29 R N 1.359 121.649 120.500 -0.350 0.000 2.340 29 R HA 0.114 4.455 4.340 0.001 0.000 0.300 29 R C 0.816 177.043 176.300 -0.121 0.000 1.069 29 R CA -0.122 55.880 56.100 -0.164 0.000 0.984 29 R CB 0.592 30.873 30.300 -0.033 0.000 1.003 29 R HN 0.089 nan 8.270 nan 0.000 0.459 30 S N 2.155 117.802 115.700 -0.089 0.000 2.596 30 S HA 0.499 4.970 4.470 0.001 0.000 0.262 30 S C 0.518 175.090 174.600 -0.046 0.000 1.218 30 S CA -0.365 57.795 58.200 -0.066 0.000 0.998 30 S CB 0.828 63.998 63.200 -0.051 0.000 1.060 30 S HN 0.630 nan 8.310 nan 0.000 0.552 31 G N -0.687 108.091 108.800 -0.037 0.000 2.488 31 G HA2 0.537 4.497 3.960 0.001 0.000 0.318 31 G HA3 0.537 4.497 3.960 0.001 0.000 0.318 31 G C -0.428 174.453 174.900 -0.033 0.000 1.188 31 G CA -0.880 44.203 45.100 -0.027 0.000 0.944 31 G HN 0.837 nan 8.290 nan 0.000 0.495 32 V N 0.108 120.004 119.914 -0.030 0.000 2.999 32 V HA 0.439 4.559 4.120 0.001 0.000 0.307 32 V C 1.374 177.425 176.094 -0.071 0.000 1.084 32 V CA 0.339 62.602 62.300 -0.063 0.000 1.155 32 V CB 0.658 32.456 31.823 -0.042 0.000 0.975 32 V HN 0.929 nan 8.190 nan 0.000 0.490 33 G N 2.807 111.528 108.800 -0.132 0.000 2.613 33 G HA2 0.666 4.627 3.960 0.001 0.000 0.303 33 G HA3 0.666 4.627 3.960 0.001 0.000 0.303 33 G C -2.458 172.356 174.900 -0.143 0.000 1.312 33 G CA -1.218 43.817 45.100 -0.108 0.000 1.036 33 G HN 0.661 nan 8.290 nan 0.000 0.513 34 P HA 0.294 nan 4.420 nan 0.000 0.274 34 P C -1.204 176.037 177.300 -0.099 0.000 1.260 34 P CA -0.212 62.895 63.100 0.011 0.000 0.793 34 P CB 0.720 32.448 31.700 0.046 0.000 1.048 35 F N -0.786 119.154 119.950 -0.018 0.000 2.443 35 F HA 0.316 4.843 4.527 0.001 0.000 0.335 35 F C 1.153 176.936 175.800 -0.028 0.000 1.104 35 F CA -0.305 57.678 58.000 -0.027 0.000 1.013 35 F CB 1.535 40.511 39.000 -0.039 0.000 1.136 35 F HN 0.093 nan 8.300 nan 0.000 0.470 36 S N 1.734 117.499 115.700 0.109 0.000 2.461 36 S HA 0.203 4.673 4.470 0.001 0.000 0.322 36 S C 0.874 175.489 174.600 0.025 0.000 1.063 36 S CA -0.490 57.747 58.200 0.062 0.000 1.120 36 S CB 0.638 63.862 63.200 0.040 0.000 0.968 36 S HN 0.742 nan 8.310 nan 0.000 0.467 37 T N 5.387 119.938 114.554 -0.005 0.000 2.881 37 T HA -0.097 4.253 4.350 0.001 0.000 0.270 37 T C 1.667 176.276 174.700 -0.152 0.000 1.068 37 T CA 1.188 63.205 62.100 -0.139 0.000 1.131 37 T CB -0.256 68.555 68.868 -0.095 0.000 0.871 37 T HN 0.562 nan 8.240 nan 0.000 0.479 38 L N 0.954 122.209 121.223 0.054 0.000 1.988 38 L HA 0.052 4.392 4.340 0.001 0.000 0.207 38 L C 2.191 179.172 176.870 0.185 0.000 1.071 38 L CA 1.637 56.593 54.840 0.192 0.000 0.744 38 L CB -0.637 41.505 42.059 0.138 0.000 0.893 38 L HN 0.216 nan 8.230 nan 0.000 0.433 39 L N -0.553 120.741 121.223 0.117 0.000 2.079 39 L HA -0.193 4.147 4.340 0.001 0.000 0.210 39 L C 2.461 179.421 176.870 0.151 0.000 1.081 39 L CA 1.310 56.240 54.840 0.150 0.000 0.752 39 L CB -1.444 40.672 42.059 0.095 0.000 0.896 39 L HN 0.546 nan 8.230 nan 0.000 0.433 40 G N -0.831 107.967 108.800 -0.004 0.000 2.462 40 G HA2 -0.270 3.690 3.960 0.001 0.000 0.220 40 G HA3 -0.270 3.690 3.960 0.001 0.000 0.220 40 G C 1.143 175.989 174.900 -0.091 0.000 1.121 40 G CA 0.340 45.370 45.100 -0.116 0.000 0.758 40 G HN 0.447 nan 8.290 nan 0.000 0.559 41 W N -1.304 120.108 121.300 0.187 0.000 2.467 41 W HA 0.246 4.906 4.660 0.001 0.000 0.275 41 W C 1.978 178.804 176.519 0.512 0.000 1.239 41 W CA -0.343 57.152 57.345 0.251 0.000 1.266 41 W CB -0.106 29.402 29.460 0.080 0.000 1.112 41 W HN 0.151 nan 8.180 nan 0.000 0.576 42 F N -0.686 119.551 119.950 0.479 0.000 2.419 42 F HA 0.406 4.933 4.527 0.001 0.000 0.283 42 F C 1.532 177.433 175.800 0.169 0.000 1.044 42 F CA 1.424 59.639 58.000 0.359 0.000 1.376 42 F CB -0.440 38.758 39.000 0.329 0.000 1.131 42 F HN -0.242 nan 8.300 nan 0.000 0.585 43 G N -0.824 108.098 108.800 0.204 0.000 3.085 43 G HA2 0.137 4.097 3.960 0.001 0.000 0.264 43 G HA3 0.137 4.097 3.960 0.001 0.000 0.264 43 G C -1.281 173.654 174.900 0.059 0.000 1.206 43 G CA -0.722 44.408 45.100 0.050 0.000 0.809 43 G HN -0.019 nan 8.290 nan 0.000 0.592 44 N N 0.769 119.491 118.700 0.037 0.000 2.483 44 N HA 0.260 5.000 4.740 0.001 0.000 0.264 44 N C 1.097 176.626 175.510 0.032 0.000 1.197 44 N CA 0.503 53.569 53.050 0.026 0.000 0.927 44 N CB 1.591 40.084 38.487 0.010 0.000 1.065 44 N HN 0.488 nan 8.380 nan 0.000 0.461 45 A N 3.409 126.255 122.820 0.043 0.000 2.218 45 A HA -0.035 4.286 4.320 0.001 0.000 0.209 45 A C 0.954 178.537 177.584 -0.002 0.000 1.168 45 A CA 0.299 52.372 52.037 0.059 0.000 0.804 45 A CB -0.049 19.012 19.000 0.101 0.000 0.834 45 A HN 0.798 nan 8.150 nan 0.000 0.482 46 Q N 0.391 120.128 119.800 -0.106 0.000 2.267 46 Q HA 0.470 4.811 4.340 0.001 0.000 0.255 46 Q C -1.606 174.196 176.000 -0.330 0.000 0.923 46 Q CA -0.465 55.056 55.803 -0.471 0.000 0.925 46 Q CB 0.562 29.055 28.738 -0.409 0.000 1.195 46 Q HN 0.253 nan 8.270 nan 0.000 0.417 47 L N 3.721 124.707 121.223 -0.395 0.000 2.309 47 L HA 0.656 4.997 4.340 0.001 0.000 0.282 47 L C 0.440 177.180 176.870 -0.217 0.000 1.036 47 L CA 0.999 55.707 54.840 -0.219 0.000 0.806 47 L CB 1.509 43.473 42.059 -0.159 0.000 1.220 47 L HN 0.923 nan 8.230 nan 0.000 0.429 48 G N 3.646 112.368 108.800 -0.131 0.000 2.828 48 G HA2 -0.118 3.842 3.960 0.001 0.000 0.463 48 G HA3 -0.118 3.842 3.960 0.001 0.000 0.463 48 G C -2.867 171.971 174.900 -0.102 0.000 1.394 48 G CA -0.687 44.353 45.100 -0.100 0.000 0.862 48 G HN 0.547 nan 8.290 nan 0.000 0.540 49 P HA 0.616 nan 4.420 nan 0.000 0.278 49 P C -0.306 176.981 177.300 -0.021 0.000 1.266 49 P CA -0.569 62.504 63.100 -0.044 0.000 0.807 49 P CB 1.516 33.196 31.700 -0.032 0.000 1.094 50 I N 0.748 121.312 120.570 -0.009 0.000 2.603 50 I HA 0.362 4.532 4.170 0.001 0.000 0.300 50 I C -1.048 175.096 176.117 0.045 0.000 1.017 50 I CA -1.373 59.940 61.300 0.022 0.000 1.098 50 I CB 1.670 39.684 38.000 0.024 0.000 1.279 50 I HN 0.242 nan 8.210 nan 0.000 0.437 51 Y N 7.219 127.477 120.300 -0.071 0.000 2.310 51 Y HA 0.604 5.154 4.550 0.001 0.000 0.326 51 Y C -1.176 174.675 175.900 -0.082 0.000 1.151 51 Y CA -0.510 57.542 58.100 -0.080 0.000 1.195 51 Y CB 1.020 39.417 38.460 -0.105 0.000 1.210 51 Y HN 0.437 nan 8.280 nan 0.000 0.483 52 L N 6.961 128.043 121.223 -0.235 0.000 2.534 52 L HA 0.356 4.696 4.340 0.001 0.000 0.259 52 L C 0.374 177.126 176.870 -0.196 0.000 1.108 52 L CA -0.443 54.348 54.840 -0.082 0.000 0.905 52 L CB 0.917 42.944 42.059 -0.054 0.000 1.138 52 L HN 0.920 nan 8.230 nan 0.000 0.475 53 G N 0.214 109.011 108.800 -0.006 0.000 2.546 53 G HA2 0.208 4.168 3.960 0.001 0.000 0.239 53 G HA3 0.208 4.168 3.960 0.001 0.000 0.239 53 G C 0.853 175.765 174.900 0.019 0.000 1.476 53 G CA 0.193 45.303 45.100 0.017 0.000 1.064 53 G HN 0.414 nan 8.290 nan 0.000 0.561 54 S N -0.729 114.990 115.700 0.032 0.000 2.345 54 S HA -0.105 4.365 4.470 0.001 0.000 0.219 54 S C 2.366 176.991 174.600 0.042 0.000 1.031 54 S CA 0.834 59.048 58.200 0.023 0.000 0.984 54 S CB -0.486 62.726 63.200 0.020 0.000 0.874 54 S HN 0.299 nan 8.310 nan 0.000 0.451 55 L N 2.202 123.450 121.223 0.043 0.000 2.051 55 L HA -0.112 4.228 4.340 0.001 0.000 0.214 55 L C 2.298 179.199 176.870 0.051 0.000 1.076 55 L CA 1.966 56.831 54.840 0.042 0.000 0.758 55 L CB -1.324 40.738 42.059 0.004 0.000 0.890 55 L HN 0.369 nan 8.230 nan 0.000 0.433 56 G N -1.690 107.132 108.800 0.037 0.000 2.421 56 G HA2 -0.213 3.747 3.960 0.001 0.000 0.216 56 G HA3 -0.213 3.747 3.960 0.001 0.000 0.216 56 G C 1.595 176.560 174.900 0.109 0.000 1.171 56 G CA 1.003 46.132 45.100 0.048 0.000 0.775 56 G HN 0.318 nan 8.290 nan 0.000 0.543 57 V N 0.732 120.696 119.914 0.083 0.000 2.343 57 V HA -0.140 3.980 4.120 0.001 0.000 0.247 57 V C 2.686 178.870 176.094 0.150 0.000 1.051 57 V CA 1.667 64.024 62.300 0.095 0.000 1.036 57 V CB -0.454 31.392 31.823 0.040 0.000 0.654 57 V HN 0.368 nan 8.190 nan 0.000 0.451 58 L N 0.207 121.511 121.223 0.134 0.000 1.971 58 L HA -0.183 4.157 4.340 0.001 0.000 0.215 58 L C 2.632 179.646 176.870 0.239 0.000 1.072 58 L CA 2.619 57.570 54.840 0.185 0.000 0.758 58 L CB -1.161 40.985 42.059 0.145 0.000 0.889 58 L HN 0.325 nan 8.230 nan 0.000 0.433 59 S N -0.937 114.887 115.700 0.206 0.000 2.365 59 S HA -0.197 4.273 4.470 0.001 0.000 0.225 59 S C 2.053 176.768 174.600 0.193 0.000 1.039 59 S CA 1.862 60.197 58.200 0.225 0.000 1.033 59 S CB -0.489 62.910 63.200 0.331 0.000 0.887 59 S HN 0.495 nan 8.310 nan 0.000 0.447 60 L N -0.177 121.173 121.223 0.211 0.000 2.131 60 L HA -0.062 4.279 4.340 0.001 0.000 0.210 60 L C 2.291 179.233 176.870 0.120 0.000 1.092 60 L CA 1.406 56.330 54.840 0.141 0.000 0.759 60 L CB -0.580 41.571 42.059 0.153 0.000 0.903 60 L HN 0.375 nan 8.230 nan 0.000 0.435 61 F N 0.609 120.583 119.950 0.041 0.000 2.084 61 F HA -0.190 4.337 4.527 0.001 0.000 0.296 61 F C 2.644 178.425 175.800 -0.032 0.000 1.111 61 F CA 1.713 59.725 58.000 0.020 0.000 1.224 61 F CB -0.319 38.702 39.000 0.036 0.000 0.991 61 F HN -0.095 nan 8.300 nan 0.000 0.471 62 S N 0.417 116.089 115.700 -0.046 0.000 2.359 62 S HA -0.149 4.322 4.470 0.001 0.000 0.224 62 S C 2.347 176.863 174.600 -0.142 0.000 1.035 62 S CA 1.275 59.402 58.200 -0.122 0.000 1.018 62 S CB -1.391 61.878 63.200 0.115 0.000 0.876 62 S HN 0.631 nan 8.310 nan 0.000 0.448 63 G N 1.794 110.551 108.800 -0.072 0.000 2.491 63 G HA2 -0.213 3.747 3.960 0.001 0.000 0.218 63 G HA3 -0.213 3.747 3.960 0.001 0.000 0.218 63 G C 1.343 176.208 174.900 -0.059 0.000 1.180 63 G CA 1.001 46.070 45.100 -0.052 0.000 0.774 63 G HN 0.450 nan 8.290 nan 0.000 0.562 64 L N -0.325 120.770 121.223 -0.213 0.000 2.093 64 L HA -0.032 4.309 4.340 0.001 0.000 0.208 64 L C 3.066 179.730 176.870 -0.344 0.000 1.085 64 L CA 0.545 55.154 54.840 -0.384 0.000 0.755 64 L CB -0.314 41.632 42.059 -0.188 0.000 0.904 64 L HN 0.121 nan 8.230 nan 0.000 0.435 65 M N -1.050 118.278 119.600 -0.454 0.000 2.108 65 M HA -0.249 4.231 4.480 0.001 0.000 0.261 65 M C 2.080 178.196 176.300 -0.306 0.000 1.066 65 M CA 1.760 56.648 55.300 -0.686 0.000 1.107 65 M CB -1.238 30.238 32.600 -1.873 0.000 1.356 65 M HN 0.442 nan 8.290 nan 0.000 0.406 66 W N 0.549 121.669 121.300 -0.299 0.000 2.332 66 W HA -0.297 4.364 4.660 0.001 0.000 0.321 66 W C 2.301 178.739 176.519 -0.135 0.000 1.219 66 W CA 1.853 59.152 57.345 -0.076 0.000 1.277 66 W CB -1.234 28.160 29.460 -0.109 0.000 1.161 66 W HN 0.215 nan 8.180 nan 0.000 0.476 67 F N -0.084 119.531 119.950 -0.559 0.000 2.161 67 F HA -0.185 4.343 4.527 0.001 0.000 0.300 67 F C 2.080 177.522 175.800 -0.597 0.000 1.089 67 F CA 2.191 59.661 58.000 -0.882 0.000 1.282 67 F CB -0.794 37.755 39.000 -0.753 0.000 1.010 67 F HN -0.091 nan 8.300 nan 0.000 0.485 68 F N -0.733 119.152 119.950 -0.108 0.000 2.293 68 F HA -0.139 4.388 4.527 0.001 0.000 0.297 68 F C 2.338 178.061 175.800 -0.129 0.000 1.089 68 F CA 1.060 58.990 58.000 -0.117 0.000 1.377 68 F CB -0.721 38.257 39.000 -0.038 0.000 1.051 68 F HN -0.184 nan 8.300 nan 0.000 0.511 69 T N 0.793 115.375 114.554 0.046 0.000 2.777 69 T HA -0.138 4.213 4.350 0.001 0.000 0.266 69 T C 1.949 176.637 174.700 -0.021 0.000 1.040 69 T CA 1.242 63.390 62.100 0.081 0.000 1.141 69 T CB -0.309 68.649 68.868 0.150 0.000 0.868 69 T HN 0.195 nan 8.240 nan 0.000 0.444 70 I N 1.055 121.440 120.570 -0.308 0.000 2.286 70 I HA -0.013 4.157 4.170 0.001 0.000 0.245 70 I C 2.918 178.763 176.117 -0.453 0.000 1.104 70 I CA 1.118 62.168 61.300 -0.415 0.000 1.397 70 I CB -0.657 36.825 38.000 -0.863 0.000 1.072 70 I HN 0.292 nan 8.210 nan 0.000 0.417 71 G N 0.957 109.439 108.800 -0.529 0.000 2.408 71 G HA2 -0.213 3.747 3.960 0.001 0.000 0.217 71 G HA3 -0.213 3.747 3.960 0.001 0.000 0.217 71 G C 1.763 176.766 174.900 0.172 0.000 1.150 71 G CA 0.382 45.288 45.100 -0.323 0.000 0.776 71 G HN 0.369 nan 8.290 nan 0.000 0.542 72 I N -0.629 120.085 120.570 0.239 0.000 2.252 72 I HA -0.080 4.090 4.170 0.001 0.000 0.245 72 I C 2.414 178.717 176.117 0.309 0.000 1.102 72 I CA 1.080 62.591 61.300 0.352 0.000 1.385 72 I CB -0.090 38.095 38.000 0.308 0.000 1.064 72 I HN 0.476 nan 8.210 nan 0.000 0.414 73 W N 0.963 122.358 121.300 0.158 0.000 2.402 73 W HA -0.258 4.402 4.660 0.001 0.000 0.286 73 W C 1.898 178.535 176.519 0.197 0.000 1.221 73 W CA 0.840 58.311 57.345 0.211 0.000 1.257 73 W CB -0.325 29.277 29.460 0.236 0.000 1.120 73 W HN 0.138 nan 8.180 nan 0.000 0.551 74 F N -0.361 119.489 119.950 -0.165 0.000 2.146 74 F HA -0.080 4.447 4.527 0.001 0.000 0.298 74 F C 2.097 177.363 175.800 -0.891 0.000 1.096 74 F CA 1.270 58.904 58.000 -0.610 0.000 1.275 74 F CB -1.553 37.217 39.000 -0.384 0.000 1.008 74 F HN -0.155 nan 8.300 nan 0.000 0.480 75 W N -1.164 119.984 121.300 -0.254 0.000 2.354 75 W HA -0.281 4.379 4.660 0.001 0.000 0.315 75 W C 2.608 178.465 176.519 -1.102 0.000 1.206 75 W CA 1.831 58.870 57.345 -0.510 0.000 1.290 75 W CB -1.252 27.932 29.460 -0.460 0.000 1.152 75 W HN 0.066 nan 8.180 nan 0.000 0.489 76 Y N 1.398 120.973 120.300 -1.209 0.000 2.193 76 Y HA -0.337 4.213 4.550 0.001 0.000 0.285 76 Y C 2.156 177.515 175.900 -0.900 0.000 1.166 76 Y CA 2.179 59.488 58.100 -1.318 0.000 1.181 76 Y CB -0.782 37.228 38.460 -0.751 0.000 0.976 76 Y HN 0.120 nan 8.280 nan 0.000 0.520 77 Q N -0.836 118.294 119.800 -1.117 0.000 2.297 77 Q HA 0.016 4.356 4.340 0.001 0.000 0.204 77 Q C 1.990 177.645 176.000 -0.576 0.000 0.962 77 Q CA 0.820 56.062 55.803 -0.935 0.000 0.879 77 Q CB -0.098 28.186 28.738 -0.757 0.000 0.947 77 Q HN 0.573 nan 8.270 nan 0.000 0.462 78 A N -0.016 122.428 122.820 -0.628 0.000 2.275 78 A HA 0.346 4.666 4.320 0.001 0.000 0.212 78 A C 1.316 178.802 177.584 -0.163 0.000 1.201 78 A CA 0.558 52.462 52.037 -0.222 0.000 0.843 78 A CB -0.108 18.813 19.000 -0.132 0.000 0.873 78 A HN 0.377 nan 8.150 nan 0.000 0.492 79 G N -2.003 106.583 108.800 -0.356 0.000 2.198 79 G HA2 -0.297 3.664 3.960 0.001 0.000 0.260 79 G HA3 -0.297 3.664 3.960 0.001 0.000 0.260 79 G C 0.238 175.207 174.900 0.115 0.000 1.025 79 G CA 0.161 45.173 45.100 -0.147 0.000 0.769 79 G HN 1.128 nan 8.290 nan 0.000 0.507 80 W N -2.144 119.262 121.300 0.177 0.000 4.233 80 W HA -0.194 4.466 4.660 0.001 0.000 0.328 80 W C 0.558 177.250 176.519 0.289 0.000 1.212 80 W CA 0.284 57.793 57.345 0.273 0.000 0.752 80 W CB -2.021 27.491 29.460 0.086 0.000 2.277 80 W HN 0.580 nan 8.180 nan 0.000 1.465 81 N N 0.872 119.804 118.700 0.388 0.000 2.500 81 N HA 0.192 4.932 4.740 0.001 0.000 0.236 81 N C -1.133 174.605 175.510 0.379 0.000 1.022 81 N CA -1.823 51.414 53.050 0.313 0.000 0.935 81 N CB 1.345 39.942 38.487 0.183 0.000 1.147 81 N HN -0.228 nan 8.380 nan 0.000 0.512 82 P HA -0.202 nan 4.420 nan 0.000 0.218 82 P C 0.865 178.327 177.300 0.271 0.000 1.154 82 P CA 1.753 65.120 63.100 0.445 0.000 0.872 82 P CB 0.318 32.221 31.700 0.338 0.000 0.790 83 A N -1.008 121.927 122.820 0.192 0.000 1.877 83 A HA -0.158 4.163 4.320 0.001 0.000 0.216 83 A C 2.336 179.980 177.584 0.100 0.000 1.186 83 A CA 1.883 53.993 52.037 0.122 0.000 0.620 83 A CB -1.615 17.436 19.000 0.085 0.000 0.822 83 A HN 0.063 nan 8.150 nan 0.000 0.443 84 V N -1.287 118.698 119.914 0.118 0.000 2.626 84 V HA -0.185 3.936 4.120 0.001 0.000 0.252 84 V C 2.196 178.391 176.094 0.169 0.000 1.067 84 V CA 1.783 64.139 62.300 0.094 0.000 1.081 84 V CB -0.894 30.986 31.823 0.095 0.000 0.686 84 V HN 0.616 nan 8.190 nan 0.000 0.468 85 F N 0.540 120.490 119.950 0.001 0.000 2.102 85 F HA -0.173 4.354 4.527 0.001 0.000 0.298 85 F C 2.016 177.825 175.800 0.016 0.000 1.105 85 F CA 1.787 59.728 58.000 -0.100 0.000 1.239 85 F CB -0.140 38.422 39.000 -0.730 0.000 0.991 85 F HN 0.033 nan 8.300 nan 0.000 0.474 86 L N 0.239 121.508 121.223 0.077 0.000 2.056 86 L HA -0.168 4.172 4.340 0.001 0.000 0.207 86 L C 2.607 179.383 176.870 -0.157 0.000 1.078 86 L CA 1.677 56.497 54.840 -0.033 0.000 0.749 86 L CB -0.786 41.309 42.059 0.059 0.000 0.901 86 L HN 0.179 nan 8.230 nan 0.000 0.433 87 R N -0.210 120.216 120.500 -0.123 0.000 2.090 87 R HA -0.092 4.248 4.340 0.001 0.000 0.228 87 R C 0.676 176.827 176.300 -0.248 0.000 1.110 87 R CA 1.551 57.552 56.100 -0.166 0.000 0.973 87 R CB -0.342 29.882 30.300 -0.126 0.000 0.869 87 R HN 0.157 nan 8.270 nan 0.000 0.440 88 D N 0.237 120.408 120.400 -0.381 0.000 2.427 88 D HA 0.045 4.686 4.640 0.001 0.000 0.224 88 D C 0.997 176.715 176.300 -0.969 0.000 1.157 88 D CA -0.158 53.461 54.000 -0.635 0.000 0.828 88 D CB 0.624 40.831 40.800 -0.988 0.000 0.974 88 D HN 0.097 nan 8.370 nan 0.000 0.498 89 L N 0.116 120.990 121.223 -0.582 0.000 2.043 89 L HA -0.165 4.175 4.340 0.001 0.000 0.212 89 L C 1.313 178.083 176.870 -0.167 0.000 1.075 89 L CA 1.757 56.348 54.840 -0.415 0.000 0.752 89 L CB -0.397 41.441 42.059 -0.368 0.000 0.891 89 L HN 0.002 nan 8.230 nan 0.000 0.432 90 F N -1.946 117.671 119.950 -0.555 0.000 2.789 90 F HA 0.083 4.611 4.527 0.001 0.000 0.300 90 F C 1.768 177.030 175.800 -0.898 0.000 1.132 90 F CA -0.048 57.398 58.000 -0.922 0.000 1.404 90 F CB -1.057 36.896 39.000 -1.744 0.000 1.114 90 F HN 0.051 nan 8.300 nan 0.000 0.584 91 F N -1.694 118.014 119.950 -0.405 0.000 2.656 91 F HA 0.147 4.675 4.527 0.001 0.000 0.291 91 F C 0.873 176.451 175.800 -0.371 0.000 1.122 91 F CA -0.523 57.315 58.000 -0.271 0.000 1.427 91 F CB -0.754 38.058 39.000 -0.313 0.000 1.125 91 F HN -0.343 nan 8.300 nan 0.000 0.583 92 F N 0.662 120.409 119.950 -0.339 0.000 2.539 92 F HA 0.343 4.871 4.527 0.001 0.000 0.340 92 F C 0.773 176.256 175.800 -0.530 0.000 1.185 92 F CA -0.497 57.065 58.000 -0.731 0.000 1.333 92 F CB 0.224 38.171 39.000 -1.755 0.000 1.152 92 F HN -0.263 nan 8.300 nan 0.000 0.602 93 S N 2.231 117.980 115.700 0.082 0.000 2.542 93 S HA 0.454 4.925 4.470 0.001 0.000 0.276 93 S C -1.737 173.243 174.600 0.632 0.000 1.148 93 S CA -0.878 57.561 58.200 0.398 0.000 0.886 93 S CB 0.843 64.222 63.200 0.297 0.000 1.109 93 S HN 0.705 nan 8.310 nan 0.000 0.458 94 L N 4.360 125.945 121.223 0.604 0.000 2.283 94 L HA 0.552 4.892 4.340 0.001 0.000 0.281 94 L C -0.273 176.797 176.870 0.334 0.000 1.033 94 L CA -0.437 54.611 54.840 0.347 0.000 0.848 94 L CB 0.540 42.810 42.059 0.351 0.000 1.226 94 L HN 0.705 nan 8.230 nan 0.000 0.429 95 E N 5.010 125.304 120.200 0.157 0.000 2.349 95 E HA 0.374 4.724 4.350 0.001 0.000 0.262 95 E C -2.362 174.097 176.600 -0.234 0.000 1.088 95 E CA -1.814 54.590 56.400 0.007 0.000 0.899 95 E CB 0.684 30.407 29.700 0.039 0.000 1.044 95 E HN 0.401 nan 8.360 nan 0.000 0.420 96 P HA 0.233 nan 4.420 nan 0.000 0.279 96 P C -2.514 174.532 177.300 -0.423 0.000 1.282 96 P CA -1.399 61.009 63.100 -1.154 0.000 0.788 96 P CB -0.333 30.386 31.700 -1.636 0.000 1.139 97 P HA 0.113 nan 4.420 nan 0.000 0.268 97 P C -0.438 176.909 177.300 0.078 0.000 1.205 97 P CA 0.251 63.333 63.100 -0.030 0.000 0.771 97 P CB 0.096 31.812 31.700 0.028 0.000 0.858 98 A N 5.763 128.719 122.820 0.227 0.000 2.429 98 A HA 0.165 4.486 4.320 0.001 0.000 0.242 98 A C -1.210 176.430 177.584 0.092 0.000 1.088 98 A CA -0.541 51.574 52.037 0.130 0.000 0.784 98 A CB -1.203 17.865 19.000 0.113 0.000 1.038 98 A HN 0.440 nan 8.150 nan 0.000 0.501 99 P HA -0.202 nan 4.420 nan 0.000 0.215 99 P C 0.910 178.169 177.300 -0.068 0.000 1.157 99 P CA 1.937 65.018 63.100 -0.031 0.000 0.874 99 P CB -0.110 31.560 31.700 -0.051 0.000 0.790 100 E N -1.442 118.663 120.200 -0.159 0.000 2.271 100 E HA -0.259 4.091 4.350 0.001 0.000 0.209 100 E C 1.311 177.728 176.600 -0.305 0.000 1.046 100 E CA 1.511 57.736 56.400 -0.292 0.000 0.840 100 E CB -1.071 28.338 29.700 -0.484 0.000 0.738 100 E HN 0.464 nan 8.360 nan 0.000 0.470 101 Y N 0.315 120.617 120.300 0.003 0.000 2.490 101 Y HA 0.173 4.723 4.550 0.001 0.000 0.281 101 Y C 1.853 177.756 175.900 0.006 0.000 1.174 101 Y CA 0.302 58.417 58.100 0.025 0.000 1.295 101 Y CB -0.148 38.343 38.460 0.053 0.000 1.062 101 Y HN 0.168 nan 8.280 nan 0.000 0.522 102 G N 1.073 109.907 108.800 0.057 0.000 2.651 102 G HA2 -0.359 3.601 3.960 0.001 0.000 0.315 102 G HA3 -0.359 3.601 3.960 0.001 0.000 0.315 102 G C 0.578 175.376 174.900 -0.170 0.000 1.258 102 G CA 0.760 45.825 45.100 -0.058 0.000 1.002 102 G HN 0.299 nan 8.290 nan 0.000 0.551 103 L N 1.979 123.057 121.223 -0.240 0.000 2.818 103 L HA 0.379 4.719 4.340 0.001 0.000 0.243 103 L C 1.718 178.673 176.870 0.142 0.000 1.185 103 L CA 0.442 54.964 54.840 -0.530 0.000 0.988 103 L CB 0.198 41.870 42.059 -0.644 0.000 1.292 103 L HN 0.690 nan 8.230 nan 0.000 0.519 104 S N -0.944 114.899 115.700 0.240 0.000 2.640 104 S HA 0.298 4.769 4.470 0.001 0.000 0.262 104 S C 0.289 175.106 174.600 0.361 0.000 1.232 104 S CA -0.135 58.315 58.200 0.416 0.000 0.988 104 S CB 0.501 63.884 63.200 0.305 0.000 1.034 104 S HN 0.185 nan 8.310 nan 0.000 0.569 105 F N -0.779 119.262 119.950 0.152 0.000 2.724 105 F HA 0.433 4.960 4.527 0.001 0.000 0.310 105 F C 2.085 177.869 175.800 -0.028 0.000 1.107 105 F CA -0.305 57.727 58.000 0.053 0.000 1.218 105 F CB -0.053 38.959 39.000 0.021 0.000 1.042 105 F HN 0.701 nan 8.300 nan 0.000 0.540 106 A N 1.137 124.044 122.820 0.146 0.000 1.883 106 A HA 0.089 4.409 4.320 0.001 0.000 0.217 106 A C 1.793 179.268 177.584 -0.183 0.000 1.186 106 A CA 0.909 52.979 52.037 0.054 0.000 0.624 106 A CB -1.037 18.069 19.000 0.176 0.000 0.822 106 A HN 0.257 nan 8.150 nan 0.000 0.444 107 A N 0.646 123.069 122.820 -0.661 0.000 2.616 107 A HA 0.261 4.581 4.320 0.001 0.000 0.242 107 A C -1.916 175.425 177.584 -0.405 0.000 0.987 107 A CA -0.170 51.189 52.037 -1.130 0.000 0.800 107 A CB -0.804 17.524 19.000 -1.120 0.000 0.883 107 A HN 0.369 nan 8.150 nan 0.000 0.496 108 P HA 0.051 nan 4.420 nan 0.000 0.270 108 P C 1.194 178.454 177.300 -0.067 0.000 1.227 108 P CA -0.412 62.645 63.100 -0.072 0.000 0.788 108 P CB 0.372 32.080 31.700 0.014 0.000 0.926 109 L N 0.945 122.157 121.223 -0.019 0.000 2.042 109 L HA -0.187 4.153 4.340 0.001 0.000 0.210 109 L C 1.628 178.470 176.870 -0.046 0.000 1.076 109 L CA 1.874 56.703 54.840 -0.019 0.000 0.749 109 L CB -0.611 41.462 42.059 0.023 0.000 0.893 109 L HN 0.450 nan 8.230 nan 0.000 0.432 110 K N 0.132 120.552 120.400 0.034 0.000 2.522 110 K HA 0.020 4.340 4.320 0.001 0.000 0.194 110 K C 0.131 176.752 176.600 0.035 0.000 1.026 110 K CA 0.299 56.643 56.287 0.096 0.000 1.119 110 K CB 0.170 32.880 32.500 0.350 0.000 0.856 110 K HN 0.374 nan 8.250 nan 0.000 0.513 111 E N -0.445 119.734 120.200 -0.035 0.000 3.521 111 E HA 0.135 4.486 4.350 0.001 0.000 0.183 111 E C 0.346 176.894 176.600 -0.088 0.000 0.981 111 E CA -0.149 56.243 56.400 -0.013 0.000 1.349 111 E CB 1.395 31.134 29.700 0.065 0.000 1.102 111 E HN 0.341 nan 8.360 nan 0.000 0.449 112 G N 0.242 108.972 108.800 -0.117 0.000 2.480 112 G HA2 -0.231 3.729 3.960 0.001 0.000 0.193 112 G HA3 -0.231 3.729 3.960 0.001 0.000 0.193 112 G C 1.043 175.919 174.900 -0.039 0.000 1.004 112 G CA -0.126 44.924 45.100 -0.084 0.000 0.696 112 G HN 0.401 nan 8.290 nan 0.000 0.478 113 G N 0.954 109.701 108.800 -0.089 0.000 2.421 113 G HA2 0.101 4.061 3.960 0.001 0.000 0.216 113 G HA3 0.101 4.061 3.960 0.001 0.000 0.216 113 G C 1.726 176.612 174.900 -0.025 0.000 1.171 113 G CA 1.564 46.629 45.100 -0.059 0.000 0.775 113 G HN 0.493 nan 8.290 nan 0.000 0.543 114 L N -0.810 120.387 121.223 -0.044 0.000 2.083 114 L HA 0.056 4.396 4.340 0.001 0.000 0.209 114 L C 2.327 179.208 176.870 0.019 0.000 1.083 114 L CA 1.019 55.841 54.840 -0.030 0.000 0.752 114 L CB -0.901 41.093 42.059 -0.109 0.000 0.899 114 L HN 0.530 nan 8.230 nan 0.000 0.433 115 W N -0.033 121.196 121.300 -0.118 0.000 2.355 115 W HA -0.219 4.442 4.660 0.000 0.000 0.309 115 W C 2.287 178.817 176.519 0.017 0.000 1.206 115 W CA 1.560 58.912 57.345 0.012 0.000 1.284 115 W CB -0.160 29.265 29.460 -0.060 0.000 1.145 115 W HN 0.040 nan 8.180 nan 0.000 0.502 116 L N 0.052 121.328 121.223 0.088 0.000 2.083 116 L HA -0.232 4.109 4.340 0.001 0.000 0.209 116 L C 2.387 179.151 176.870 -0.177 0.000 1.083 116 L CA 1.329 56.062 54.840 -0.177 0.000 0.752 116 L CB -0.749 41.176 42.059 -0.222 0.000 0.899 116 L HN 0.069 nan 8.230 nan 0.000 0.433 117 I N -0.320 120.182 120.570 -0.114 0.000 2.133 117 I HA -0.265 3.905 4.170 0.001 0.000 0.238 117 I C 2.827 178.849 176.117 -0.158 0.000 1.074 117 I CA 1.178 62.379 61.300 -0.166 0.000 1.342 117 I CB -0.469 37.466 38.000 -0.108 0.000 1.053 117 I HN 0.175 nan 8.210 nan 0.000 0.404 118 A N 0.234 123.040 122.820 -0.024 0.000 1.917 118 A HA -0.237 4.083 4.320 0.001 0.000 0.219 118 A C 2.467 180.128 177.584 0.128 0.000 1.182 118 A CA 2.438 54.553 52.037 0.130 0.000 0.633 118 A CB -0.876 18.069 19.000 -0.092 0.000 0.819 118 A HN 0.417 nan 8.150 nan 0.000 0.448 119 S N -1.269 114.339 115.700 -0.154 0.000 2.382 119 S HA -0.136 4.334 4.470 0.001 0.000 0.228 119 S C 1.632 176.201 174.600 -0.052 0.000 1.027 119 S CA 1.441 59.514 58.200 -0.211 0.000 0.991 119 S CB -0.500 62.230 63.200 -0.784 0.000 0.823 119 S HN 0.633 nan 8.310 nan 0.000 0.469 120 F N 1.786 121.622 119.950 -0.190 0.000 2.102 120 F HA -0.077 4.450 4.527 0.000 0.000 0.298 120 F C 1.669 177.498 175.800 0.048 0.000 1.105 120 F CA 1.134 59.060 58.000 -0.124 0.000 1.239 120 F CB -0.476 38.365 39.000 -0.266 0.000 0.991 120 F HN 0.099 nan 8.300 nan 0.000 0.474 121 F N 0.260 120.227 119.950 0.027 0.000 2.126 121 F HA -0.249 4.278 4.527 0.001 0.000 0.299 121 F C 2.670 178.397 175.800 -0.122 0.000 1.096 121 F CA 1.780 59.758 58.000 -0.036 0.000 1.255 121 F CB -1.248 37.814 39.000 0.103 0.000 0.997 121 F HN 0.096 nan 8.300 nan 0.000 0.479 122 M N -1.225 118.376 119.600 0.003 0.000 2.159 122 M HA -0.237 4.244 4.480 0.001 0.000 0.263 122 M C 2.246 178.526 176.300 -0.033 0.000 1.063 122 M CA 1.681 56.784 55.300 -0.329 0.000 1.110 122 M CB -0.484 31.656 32.600 -0.767 0.000 1.374 122 M HN 0.140 nan 8.290 nan 0.000 0.411 123 F N 0.429 120.370 119.950 -0.013 0.000 2.102 123 F HA -0.196 4.331 4.527 0.000 0.000 0.298 123 F C 1.844 177.728 175.800 0.141 0.000 1.105 123 F CA 1.900 60.007 58.000 0.178 0.000 1.239 123 F CB -0.408 38.574 39.000 -0.031 0.000 0.991 123 F HN -0.060 nan 8.300 nan 0.000 0.474 124 V N 0.279 120.241 119.914 0.079 0.000 2.307 124 V HA -0.279 3.841 4.120 0.001 0.000 0.245 124 V C 2.701 178.831 176.094 0.059 0.000 1.045 124 V CA 1.680 64.009 62.300 0.048 0.000 1.024 124 V CB -1.528 30.272 31.823 -0.038 0.000 0.651 124 V HN 0.466 nan 8.190 nan 0.000 0.449 125 A N -0.135 122.688 122.820 0.005 0.000 1.883 125 A HA -0.178 4.142 4.320 0.001 0.000 0.217 125 A C 2.395 179.949 177.584 -0.051 0.000 1.186 125 A CA 2.328 54.354 52.037 -0.019 0.000 0.624 125 A CB -0.720 18.205 19.000 -0.125 0.000 0.822 125 A HN 0.337 nan 8.150 nan 0.000 0.444 126 V N -2.487 117.273 119.914 -0.257 0.000 2.323 126 V HA -0.254 3.866 4.120 0.001 0.000 0.244 126 V C 2.261 178.197 176.094 -0.263 0.000 1.041 126 V CA 1.724 63.757 62.300 -0.446 0.000 1.025 126 V CB -1.024 30.075 31.823 -1.207 0.000 0.656 126 V HN 0.788 nan 8.190 nan 0.000 0.451 127 W N 0.879 122.043 121.300 -0.227 0.000 2.388 127 W HA -0.178 4.483 4.660 0.001 0.000 0.294 127 W C 2.968 179.546 176.519 0.099 0.000 1.212 127 W CA 1.577 58.852 57.345 -0.117 0.000 1.271 127 W CB -0.418 28.852 29.460 -0.316 0.000 1.126 127 W HN 0.364 nan 8.180 nan 0.000 0.535 128 S N -0.758 115.117 115.700 0.291 0.000 2.368 128 S HA -0.259 4.211 4.470 0.001 0.000 0.224 128 S C 1.700 176.425 174.600 0.209 0.000 1.029 128 S CA 0.995 59.331 58.200 0.226 0.000 0.988 128 S CB -1.352 61.955 63.200 0.178 0.000 0.838 128 S HN 0.484 nan 8.310 nan 0.000 0.462 129 W N 0.906 122.256 121.300 0.084 0.000 2.374 129 W HA -0.088 4.572 4.660 0.001 0.000 0.288 129 W C 1.868 178.499 176.519 0.186 0.000 1.218 129 W CA 1.020 58.407 57.345 0.070 0.000 1.245 129 W CB -0.502 28.964 29.460 0.011 0.000 1.126 129 W HN 0.529 nan 8.180 nan 0.000 0.545 130 W N 1.507 122.988 121.300 0.303 0.000 2.379 130 W HA -0.033 4.627 4.660 0.000 0.000 0.307 130 W C 2.503 179.078 176.519 0.093 0.000 1.200 130 W CA 3.258 60.765 57.345 0.271 0.000 1.297 130 W CB -0.957 28.451 29.460 -0.085 0.000 1.140 130 W HN -0.126 nan 8.180 nan 0.000 0.507 131 G N 0.503 109.298 108.800 -0.009 0.000 2.450 131 G HA2 -0.327 3.634 3.960 0.001 0.000 0.220 131 G HA3 -0.327 3.634 3.960 0.001 0.000 0.220 131 G C 1.632 176.317 174.900 -0.358 0.000 1.130 131 G CA 1.057 45.976 45.100 -0.301 0.000 0.760 131 G HN 0.347 nan 8.290 nan 0.000 0.557 132 R N 0.374 120.676 120.500 -0.331 0.000 2.075 132 R HA -0.097 4.243 4.340 0.001 0.000 0.232 132 R C 2.859 178.844 176.300 -0.526 0.000 1.126 132 R CA 2.008 57.834 56.100 -0.455 0.000 0.963 132 R CB -0.559 29.346 30.300 -0.658 0.000 0.858 132 R HN 0.453 nan 8.270 nan 0.000 0.435 133 T N -2.120 112.111 114.554 -0.538 0.000 2.915 133 T HA -0.193 4.158 4.350 0.001 0.000 0.269 133 T C 1.770 176.190 174.700 -0.466 0.000 1.071 133 T CA 1.078 62.901 62.100 -0.462 0.000 1.132 133 T CB -0.448 68.235 68.868 -0.308 0.000 0.878 133 T HN 0.456 nan 8.240 nan 0.000 0.479 134 Y N 1.570 121.445 120.300 -0.709 0.000 2.153 134 Y HA 0.191 4.741 4.550 0.001 0.000 0.289 134 Y C 2.172 177.786 175.900 -0.477 0.000 1.127 134 Y CA 1.046 58.734 58.100 -0.687 0.000 1.131 134 Y CB -0.214 37.696 38.460 -0.916 0.000 0.995 134 Y HN 0.108 nan 8.280 nan 0.000 0.505 135 L N -0.165 120.960 121.223 -0.164 0.000 2.046 135 L HA -0.224 4.116 4.340 0.001 0.000 0.208 135 L C 2.515 179.195 176.870 -0.316 0.000 1.077 135 L CA 1.034 55.767 54.840 -0.178 0.000 0.747 135 L CB -0.557 41.397 42.059 -0.177 0.000 0.896 135 L HN 0.139 nan 8.230 nan 0.000 0.432 136 R N 0.293 120.556 120.500 -0.395 0.000 2.127 136 R HA -0.104 4.236 4.340 0.001 0.000 0.238 136 R C 2.217 178.308 176.300 -0.349 0.000 1.134 136 R CA 1.400 57.243 56.100 -0.429 0.000 0.975 136 R CB -0.930 29.109 30.300 -0.435 0.000 0.865 136 R HN 0.395 nan 8.270 nan 0.000 0.447 137 A N 0.759 123.361 122.820 -0.364 0.000 1.872 137 A HA -0.165 4.155 4.320 0.001 0.000 0.214 137 A C 2.197 179.589 177.584 -0.319 0.000 1.187 137 A CA 1.203 53.035 52.037 -0.342 0.000 0.614 137 A CB -0.429 18.319 19.000 -0.421 0.000 0.826 137 A HN 0.361 nan 8.150 nan 0.000 0.442 138 Q N -0.327 119.254 119.800 -0.365 0.000 2.084 138 Q HA -0.142 4.198 4.340 0.001 0.000 0.202 138 Q C 2.090 177.977 176.000 -0.188 0.000 0.978 138 Q CA 1.673 57.312 55.803 -0.273 0.000 0.844 138 Q CB -0.360 28.245 28.738 -0.221 0.000 0.898 138 Q HN 0.579 nan 8.270 nan 0.000 0.426 139 A N 0.403 123.102 122.820 -0.201 0.000 2.019 139 A HA -0.102 4.218 4.320 0.001 0.000 0.219 139 A C 1.795 179.294 177.584 -0.142 0.000 1.164 139 A CA 1.003 52.941 52.037 -0.166 0.000 0.644 139 A CB -0.327 18.542 19.000 -0.219 0.000 0.805 139 A HN 0.466 nan 8.150 nan 0.000 0.449 140 L N -1.773 119.353 121.223 -0.161 0.000 2.607 140 L HA 0.237 4.578 4.340 0.001 0.000 0.228 140 L C 1.684 178.486 176.870 -0.114 0.000 1.123 140 L CA 0.483 55.245 54.840 -0.130 0.000 0.890 140 L CB 0.018 41.992 42.059 -0.141 0.000 1.103 140 L HN 0.548 nan 8.230 nan 0.000 0.468 141 G N 0.229 108.955 108.800 -0.123 0.000 2.184 141 G HA2 -0.311 3.649 3.960 0.001 0.000 0.264 141 G HA3 -0.311 3.649 3.960 0.001 0.000 0.264 141 G C 0.379 175.215 174.900 -0.107 0.000 0.975 141 G CA 0.206 45.245 45.100 -0.103 0.000 0.642 141 G HN 0.256 nan 8.290 nan 0.000 0.536 142 M N 0.678 120.198 119.600 -0.134 0.000 2.157 142 M HA 0.485 4.966 4.480 0.001 0.000 0.304 142 M C 1.548 177.773 176.300 -0.126 0.000 1.171 142 M CA 0.305 55.529 55.300 -0.126 0.000 1.157 142 M CB 0.214 32.726 32.600 -0.147 0.000 1.403 142 M HN 0.228 nan 8.290 nan 0.000 0.473 143 G N 0.489 109.259 108.800 -0.049 0.000 2.684 143 G HA2 0.126 4.086 3.960 0.001 0.000 0.255 143 G HA3 0.126 4.086 3.960 0.001 0.000 0.255 143 G C 0.302 175.173 174.900 -0.049 0.000 1.219 143 G CA -0.548 44.589 45.100 0.062 0.000 0.901 143 G HN 0.646 nan 8.290 nan 0.000 0.548 144 K N -0.534 119.788 120.400 -0.131 0.000 2.437 144 K HA 0.111 4.431 4.320 0.001 0.000 0.205 144 K C 1.540 177.904 176.600 -0.394 0.000 1.026 144 K CA -0.117 55.891 56.287 -0.465 0.000 1.153 144 K CB -0.073 31.977 32.500 -0.750 0.000 0.863 144 K HN 0.588 nan 8.250 nan 0.000 0.502 145 H N 0.829 119.818 119.070 -0.135 0.000 2.292 145 H HA -0.150 4.407 4.556 0.001 0.000 0.292 145 H C 1.801 177.100 175.328 -0.048 0.000 1.100 145 H CA 2.473 58.512 56.048 -0.016 0.000 1.238 145 H CB -0.572 29.169 29.762 -0.036 0.000 1.355 145 H HN 0.090 nan 8.280 nan 0.000 0.484 146 T N 0.217 114.777 114.554 0.010 0.000 2.652 146 T HA -0.213 4.137 4.350 0.001 0.000 0.267 146 T C 2.352 177.063 174.700 0.019 0.000 1.039 146 T CA 1.577 63.667 62.100 -0.017 0.000 1.153 146 T CB -0.669 68.141 68.868 -0.096 0.000 0.863 146 T HN 0.552 nan 8.240 nan 0.000 0.428 147 A N 0.061 122.782 122.820 -0.164 0.000 1.972 147 A HA -0.085 4.236 4.320 0.001 0.000 0.219 147 A C 2.115 179.853 177.584 0.257 0.000 1.169 147 A CA 1.198 53.157 52.037 -0.130 0.000 0.635 147 A CB -1.046 17.571 19.000 -0.640 0.000 0.810 147 A HN 0.751 nan 8.150 nan 0.000 0.446 148 W N -0.717 120.719 121.300 0.228 0.000 2.443 148 W HA 0.062 4.722 4.660 0.001 0.000 0.296 148 W C 2.741 179.309 176.519 0.082 0.000 1.202 148 W CA 0.460 57.895 57.345 0.151 0.000 1.312 148 W CB 0.009 29.457 29.460 -0.020 0.000 1.120 148 W HN 0.375 nan 8.180 nan 0.000 0.536 149 A N 0.113 123.102 122.820 0.283 0.000 1.898 149 A HA -0.238 4.082 4.320 0.001 0.000 0.216 149 A C 1.707 179.446 177.584 0.259 0.000 1.181 149 A CA 1.267 53.397 52.037 0.155 0.000 0.620 149 A CB -1.192 17.855 19.000 0.078 0.000 0.819 149 A HN 0.349 nan 8.150 nan 0.000 0.442 150 F N 0.191 120.229 119.950 0.146 0.000 2.269 150 F HA -0.085 4.442 4.527 0.001 0.000 0.301 150 F C 1.643 177.522 175.800 0.131 0.000 1.082 150 F CA 0.930 59.017 58.000 0.144 0.000 1.360 150 F CB -0.464 38.661 39.000 0.209 0.000 1.041 150 F HN 0.188 nan 8.300 nan 0.000 0.512 151 L N -0.433 120.888 121.223 0.163 0.000 2.141 151 L HA -0.101 4.240 4.340 0.001 0.000 0.209 151 L C 2.664 179.523 176.870 -0.018 0.000 1.094 151 L CA 1.923 56.702 54.840 -0.102 0.000 0.763 151 L CB -1.219 40.919 42.059 0.131 0.000 0.908 151 L HN 0.201 nan 8.230 nan 0.000 0.437 152 S N -1.088 114.662 115.700 0.084 0.000 2.382 152 S HA -0.135 4.335 4.470 0.001 0.000 0.228 152 S C 2.119 176.831 174.600 0.186 0.000 1.027 152 S CA 1.126 59.401 58.200 0.125 0.000 0.991 152 S CB -0.244 63.004 63.200 0.082 0.000 0.823 152 S HN 0.596 nan 8.310 nan 0.000 0.469 153 A N 1.339 124.239 122.820 0.133 0.000 1.897 153 A HA 0.098 4.418 4.320 0.001 0.000 0.215 153 A C 2.070 179.688 177.584 0.056 0.000 1.181 153 A CA 1.201 53.313 52.037 0.125 0.000 0.620 153 A CB -0.718 18.393 19.000 0.184 0.000 0.821 153 A HN 0.599 nan 8.150 nan 0.000 0.443 154 I N -1.167 119.316 120.570 -0.144 0.000 2.264 154 I HA -0.307 3.863 4.170 0.001 0.000 0.248 154 I C 2.497 178.701 176.117 0.144 0.000 1.111 154 I CA 1.498 62.658 61.300 -0.233 0.000 1.382 154 I CB -0.348 37.162 38.000 -0.817 0.000 1.060 154 I HN 0.767 nan 8.210 nan 0.000 0.418 155 W N 1.800 123.074 121.300 -0.043 0.000 2.333 155 W HA -0.268 4.393 4.660 0.001 0.000 0.316 155 W C 2.301 178.860 176.519 0.067 0.000 1.215 155 W CA 1.370 58.730 57.345 0.025 0.000 1.278 155 W CB -0.402 29.060 29.460 0.003 0.000 1.154 155 W HN 0.112 nan 8.180 nan 0.000 0.486 156 L N 0.271 121.458 121.223 -0.060 0.000 1.989 156 L HA -0.246 4.094 4.340 0.001 0.000 0.211 156 L C 2.517 179.337 176.870 -0.084 0.000 1.071 156 L CA 2.695 57.420 54.840 -0.191 0.000 0.749 156 L CB -1.230 40.824 42.059 -0.008 0.000 0.890 156 L HN 0.251 nan 8.230 nan 0.000 0.431 157 W N 0.436 121.650 121.300 -0.143 0.000 2.333 157 W HA -0.302 4.359 4.660 0.000 0.000 0.316 157 W C 2.518 178.994 176.519 -0.072 0.000 1.215 157 W CA 1.621 58.895 57.345 -0.118 0.000 1.278 157 W CB -0.323 29.043 29.460 -0.157 0.000 1.154 157 W HN 0.060 nan 8.180 nan 0.000 0.486 158 M N 0.226 119.732 119.600 -0.157 0.000 2.106 158 M HA -0.214 4.266 4.480 0.001 0.000 0.259 158 M C 1.921 178.123 176.300 -0.163 0.000 1.068 158 M CA 1.673 56.812 55.300 -0.269 0.000 1.100 158 M CB -1.647 31.026 32.600 0.122 0.000 1.351 158 M HN 0.035 nan 8.290 nan 0.000 0.404 159 V N 0.377 120.132 119.914 -0.265 0.000 2.307 159 V HA -0.262 3.858 4.120 0.001 0.000 0.245 159 V C 2.502 178.500 176.094 -0.160 0.000 1.045 159 V CA 1.390 63.506 62.300 -0.307 0.000 1.024 159 V CB -0.580 30.859 31.823 -0.640 0.000 0.651 159 V HN 0.408 nan 8.190 nan 0.000 0.449 160 L N 0.174 121.295 121.223 -0.169 0.000 2.046 160 L HA -0.091 4.249 4.340 0.001 0.000 0.208 160 L C 2.245 179.076 176.870 -0.065 0.000 1.077 160 L CA 1.875 56.655 54.840 -0.099 0.000 0.747 160 L CB -0.709 41.262 42.059 -0.147 0.000 0.896 160 L HN 0.497 nan 8.230 nan 0.000 0.432 161 G N -3.012 105.714 108.800 -0.123 0.000 3.192 161 G HA2 0.009 3.969 3.960 0.001 0.000 0.239 161 G HA3 0.009 3.969 3.960 0.001 0.000 0.239 161 G C 0.833 175.889 174.900 0.261 0.000 1.084 161 G CA -0.107 45.013 45.100 0.034 0.000 0.784 161 G HN 0.277 nan 8.290 nan 0.000 0.540 162 F N -0.329 119.623 119.950 0.004 0.000 2.212 162 F HA 0.349 4.877 4.527 0.000 0.000 0.262 162 F C 2.040 177.906 175.800 0.110 0.000 0.906 162 F CA 0.020 58.113 58.000 0.155 0.000 1.127 162 F CB 0.152 39.202 39.000 0.084 0.000 1.178 162 F HN -0.037 nan 8.300 nan 0.000 0.779 163 I N 0.954 121.607 120.570 0.138 0.000 2.179 163 I HA -0.229 3.941 4.170 0.001 0.000 0.242 163 I C 2.511 178.588 176.117 -0.067 0.000 1.088 163 I CA 1.652 62.958 61.300 0.010 0.000 1.357 163 I CB -0.541 37.503 38.000 0.072 0.000 1.051 163 I HN 0.164 nan 8.210 nan 0.000 0.409 164 R N 1.074 121.556 120.500 -0.030 0.000 2.066 164 R HA -0.111 4.229 4.340 0.001 0.000 0.232 164 R C -0.391 175.893 176.300 -0.025 0.000 1.131 164 R CA 1.547 57.645 56.100 -0.003 0.000 0.955 164 R CB -1.079 29.262 30.300 0.068 0.000 0.851 164 R HN 0.172 nan 8.270 nan 0.000 0.432 165 P HA -0.174 nan 4.420 nan 0.000 0.216 165 P C 1.074 178.191 177.300 -0.305 0.000 1.153 165 P CA 1.421 64.475 63.100 -0.076 0.000 0.858 165 P CB -0.012 31.740 31.700 0.087 0.000 0.789 166 I N -1.330 118.999 120.570 -0.402 0.000 2.090 166 I HA -0.259 3.911 4.170 0.001 0.000 0.236 166 I C 2.301 178.247 176.117 -0.285 0.000 1.064 166 I CA 1.517 62.529 61.300 -0.480 0.000 1.324 166 I CB -0.831 36.866 38.000 -0.506 0.000 1.044 166 I HN -0.133 nan 8.210 nan 0.000 0.399 167 L N -0.660 120.453 121.223 -0.183 0.000 2.081 167 L HA -0.279 4.061 4.340 0.001 0.000 0.212 167 L C 2.518 179.324 176.870 -0.106 0.000 1.080 167 L CA 1.196 55.968 54.840 -0.112 0.000 0.754 167 L CB -0.483 41.541 42.059 -0.059 0.000 0.893 167 L HN 0.337 nan 8.230 nan 0.000 0.433 168 M N -0.449 119.087 119.600 -0.108 0.000 2.460 168 M HA 0.005 4.486 4.480 0.001 0.000 0.263 168 M C 1.533 177.756 176.300 -0.128 0.000 1.071 168 M CA 1.185 56.432 55.300 -0.088 0.000 1.096 168 M CB -0.632 31.937 32.600 -0.051 0.000 1.408 168 M HN 0.353 nan 8.290 nan 0.000 0.463 169 G N -0.486 108.199 108.800 -0.192 0.000 2.176 169 G HA2 -0.213 3.747 3.960 0.001 0.000 0.253 169 G HA3 -0.213 3.747 3.960 0.001 0.000 0.253 169 G C 0.279 175.016 174.900 -0.271 0.000 0.979 169 G CA 0.494 45.466 45.100 -0.212 0.000 0.641 169 G HN 0.967 nan 8.290 nan 0.000 0.530 170 S N -2.041 113.471 115.700 -0.314 0.000 2.543 170 S HA 0.497 4.967 4.470 0.001 0.000 0.274 170 S C 0.238 174.658 174.600 -0.300 0.000 1.149 170 S CA 0.000 58.004 58.200 -0.327 0.000 0.866 170 S CB 0.345 63.455 63.200 -0.151 0.000 1.111 170 S HN 0.496 nan 8.310 nan 0.000 0.457 171 W N 1.801 123.025 121.300 -0.127 0.000 2.611 171 W HA 0.009 4.669 4.660 0.001 0.000 0.251 171 W C 2.533 178.855 176.519 -0.329 0.000 1.265 171 W CA 0.518 57.730 57.345 -0.222 0.000 1.295 171 W CB -0.015 29.281 29.460 -0.272 0.000 1.129 171 W HN 0.930 nan 8.180 nan 0.000 0.630 172 S N -0.213 115.474 115.700 -0.021 0.000 2.447 172 S HA -0.164 4.306 4.470 0.001 0.000 0.233 172 S C 1.516 176.125 174.600 0.015 0.000 1.006 172 S CA 1.016 59.183 58.200 -0.055 0.000 0.957 172 S CB -0.204 62.985 63.200 -0.018 0.000 0.773 172 S HN 0.199 nan 8.310 nan 0.000 0.507 173 E N 1.906 122.143 120.200 0.061 0.000 2.208 173 E HA 0.253 4.604 4.350 0.001 0.000 0.193 173 E C 1.223 178.030 176.600 0.346 0.000 0.988 173 E CA 0.622 57.142 56.400 0.202 0.000 0.828 173 E CB -0.566 29.223 29.700 0.148 0.000 0.763 173 E HN 0.721 nan 8.360 nan 0.000 0.478 174 A N 1.043 123.949 122.820 0.144 0.000 2.409 174 A HA 0.170 4.490 4.320 0.001 0.000 0.246 174 A C 0.434 177.902 177.584 -0.193 0.000 1.099 174 A CA -0.277 51.805 52.037 0.075 0.000 0.789 174 A CB 0.413 19.527 19.000 0.191 0.000 1.053 174 A HN -0.038 nan 8.150 nan 0.000 0.503 175 V N 3.033 122.656 119.914 -0.486 0.000 2.530 175 V HA 0.284 4.404 4.120 0.001 0.000 0.282 175 V C -1.677 174.198 176.094 -0.365 0.000 1.048 175 V CA -0.994 60.751 62.300 -0.925 0.000 0.997 175 V CB 0.820 32.092 31.823 -0.920 0.000 0.987 175 V HN 0.877 nan 8.190 nan 0.000 0.477 176 P HA 0.183 nan 4.420 nan 0.000 0.276 176 P C -1.397 175.895 177.300 -0.012 0.000 1.252 176 P CA -0.392 62.693 63.100 -0.025 0.000 0.802 176 P CB 0.598 32.356 31.700 0.097 0.000 1.035 177 Y N 0.311 120.823 120.300 0.353 0.000 2.676 177 Y HA 0.581 5.131 4.550 0.001 0.000 0.338 177 Y C 1.227 177.316 175.900 0.316 0.000 1.057 177 Y CA 0.308 58.566 58.100 0.264 0.000 1.314 177 Y CB 0.371 38.937 38.460 0.177 0.000 1.164 177 Y HN 0.544 nan 8.280 nan 0.000 0.509 178 G N 1.747 110.772 108.800 0.375 0.000 2.655 178 G HA2 0.314 4.274 3.960 0.001 0.000 0.296 178 G HA3 0.314 4.274 3.960 0.001 0.000 0.296 178 G C -0.053 174.978 174.900 0.219 0.000 1.485 178 G CA -0.755 44.561 45.100 0.360 0.000 0.869 178 G HN 0.200 nan 8.290 nan 0.000 0.540 179 I N 0.821 121.433 120.570 0.071 0.000 2.076 179 I HA -0.043 4.127 4.170 0.001 0.000 0.237 179 I C 2.514 178.745 176.117 0.190 0.000 1.059 179 I CA 1.473 62.730 61.300 -0.072 0.000 1.317 179 I CB -0.960 36.638 38.000 -0.670 0.000 1.037 179 I HN 0.470 nan 8.210 nan 0.000 0.398 180 F N 1.647 121.578 119.950 -0.033 0.000 2.163 180 F HA -0.124 4.403 4.527 0.001 0.000 0.297 180 F C 3.002 178.826 175.800 0.041 0.000 1.094 180 F CA 1.185 59.149 58.000 -0.059 0.000 1.290 180 F CB -1.600 37.267 39.000 -0.222 0.000 1.017 180 F HN 0.178 nan 8.300 nan 0.000 0.483 181 S N -0.051 115.827 115.700 0.296 0.000 2.383 181 S HA -0.279 4.191 4.470 0.001 0.000 0.229 181 S C 2.125 176.905 174.600 0.300 0.000 1.030 181 S CA 1.583 59.942 58.200 0.264 0.000 1.002 181 S CB -1.366 61.987 63.200 0.255 0.000 0.829 181 S HN 0.655 nan 8.310 nan 0.000 0.467 182 H N 2.076 121.262 119.070 0.194 0.000 2.491 182 H HA 0.116 4.672 4.556 0.001 0.000 0.290 182 H C 1.857 177.331 175.328 0.244 0.000 1.050 182 H CA 1.312 57.471 56.048 0.185 0.000 1.309 182 H CB -0.439 29.390 29.762 0.112 0.000 1.392 182 H HN 0.447 nan 8.280 nan 0.000 0.554 183 L N 0.568 121.704 121.223 -0.145 0.000 2.095 183 L HA -0.100 4.241 4.340 0.001 0.000 0.204 183 L C 2.372 179.255 176.870 0.021 0.000 1.080 183 L CA 1.051 55.793 54.840 -0.164 0.000 0.759 183 L CB -0.298 41.724 42.059 -0.063 0.000 0.914 183 L HN 0.138 nan 8.230 nan 0.000 0.439 184 D N -0.444 120.010 120.400 0.090 0.000 2.123 184 D HA -0.253 4.388 4.640 0.001 0.000 0.196 184 D C 1.749 178.138 176.300 0.149 0.000 0.992 184 D CA 1.244 55.301 54.000 0.094 0.000 0.833 184 D CB -0.287 40.577 40.800 0.106 0.000 0.954 184 D HN 0.414 nan 8.370 nan 0.000 0.455 185 W N 1.857 123.186 121.300 0.048 0.000 2.342 185 W HA -0.234 4.427 4.660 0.000 0.000 0.297 185 W C 2.164 178.744 176.519 0.101 0.000 1.213 185 W CA 2.236 59.633 57.345 0.087 0.000 1.251 185 W CB -0.319 29.204 29.460 0.104 0.000 1.136 185 W HN -0.142 nan 8.180 nan 0.000 0.526 186 T N 0.233 114.992 114.554 0.342 0.000 2.737 186 T HA -0.277 4.073 4.350 0.001 0.000 0.265 186 T C 1.422 176.114 174.700 -0.012 0.000 1.038 186 T CA 1.755 63.949 62.100 0.157 0.000 1.144 186 T CB -0.728 68.221 68.868 0.136 0.000 0.866 186 T HN 0.282 nan 8.240 nan 0.000 0.434 187 N N 1.727 120.422 118.700 -0.007 0.000 2.084 187 N HA -0.138 4.603 4.740 0.001 0.000 0.190 187 N C 1.678 177.156 175.510 -0.053 0.000 1.030 187 N CA 1.835 54.863 53.050 -0.038 0.000 0.849 187 N CB -0.545 37.923 38.487 -0.032 0.000 1.012 187 N HN 0.403 nan 8.380 nan 0.000 0.423 188 N N -0.947 117.712 118.700 -0.069 0.000 2.149 188 N HA -0.194 4.546 4.740 0.001 0.000 0.188 188 N C 1.618 177.042 175.510 -0.142 0.000 1.019 188 N CA 1.174 54.161 53.050 -0.106 0.000 0.857 188 N CB -0.528 37.892 38.487 -0.113 0.000 0.997 188 N HN 0.315 nan 8.380 nan 0.000 0.426 189 F N 0.601 120.310 119.950 -0.402 0.000 2.126 189 F HA -0.102 4.426 4.527 0.001 0.000 0.299 189 F C 2.669 178.428 175.800 -0.069 0.000 1.096 189 F CA 1.586 59.360 58.000 -0.377 0.000 1.255 189 F CB -0.937 37.566 39.000 -0.829 0.000 0.997 189 F HN 0.122 nan 8.300 nan 0.000 0.479 190 S N 0.116 115.915 115.700 0.165 0.000 2.355 190 S HA -0.125 4.345 4.470 0.001 0.000 0.222 190 S C 2.165 176.785 174.600 0.035 0.000 1.031 190 S CA 1.373 59.632 58.200 0.097 0.000 0.993 190 S CB -0.519 62.639 63.200 -0.070 0.000 0.859 190 S HN 0.429 nan 8.310 nan 0.000 0.453 191 L N 1.059 122.267 121.223 -0.026 0.000 2.012 191 L HA -0.065 4.275 4.340 0.001 0.000 0.210 191 L C 2.475 179.299 176.870 -0.075 0.000 1.073 191 L CA 1.103 55.917 54.840 -0.043 0.000 0.748 191 L CB -0.683 41.340 42.059 -0.060 0.000 0.891 191 L HN 0.212 nan 8.230 nan 0.000 0.431 192 V N -0.959 118.865 119.914 -0.150 0.000 2.720 192 V HA -0.265 3.855 4.120 0.001 0.000 0.256 192 V C 1.326 177.160 176.094 -0.434 0.000 1.082 192 V CA 1.618 63.735 62.300 -0.306 0.000 1.101 192 V CB -0.868 30.695 31.823 -0.433 0.000 0.693 192 V HN 0.496 nan 8.190 nan 0.000 0.479 193 H N -0.763 118.198 119.070 -0.181 0.000 2.505 193 H HA 0.456 5.012 4.556 0.001 0.000 0.286 193 H C 1.502 176.877 175.328 0.080 0.000 1.072 193 H CA 0.475 56.465 56.048 -0.097 0.000 1.141 193 H CB 0.364 30.079 29.762 -0.077 0.000 1.550 193 H HN 0.354 nan 8.280 nan 0.000 0.547 194 G N 1.501 110.385 108.800 0.140 0.000 2.136 194 G HA2 -0.349 3.611 3.960 0.001 0.000 0.242 194 G HA3 -0.349 3.611 3.960 0.001 0.000 0.242 194 G C -0.125 174.988 174.900 0.355 0.000 0.989 194 G CA 0.074 45.301 45.100 0.211 0.000 0.682 194 G HN 0.776 nan 8.290 nan 0.000 0.522 195 N N -1.776 117.082 118.700 0.264 0.000 3.925 195 N HA -0.135 4.605 4.740 0.001 0.000 0.278 195 N C 1.031 176.650 175.510 0.182 0.000 2.104 195 N CA 0.416 53.577 53.050 0.185 0.000 2.544 195 N CB -0.794 37.874 38.487 0.302 0.000 0.490 195 N HN 0.318 nan 8.380 nan 0.000 0.551 196 L N 3.230 124.373 121.223 -0.132 0.000 2.353 196 L HA -0.107 4.233 4.340 0.001 0.000 0.220 196 L C 1.705 178.401 176.870 -0.292 0.000 1.133 196 L CA 0.724 55.362 54.840 -0.336 0.000 0.798 196 L CB -0.373 41.244 42.059 -0.736 0.000 0.922 196 L HN 0.564 nan 8.230 nan 0.000 0.445 197 F N -1.009 118.796 119.950 -0.242 0.000 2.373 197 F HA -0.210 4.317 4.527 0.001 0.000 0.300 197 F C 1.914 177.594 175.800 -0.200 0.000 1.080 197 F CA 0.848 58.733 58.000 -0.193 0.000 1.417 197 F CB -0.833 37.995 39.000 -0.287 0.000 1.070 197 F HN 0.095 nan 8.300 nan 0.000 0.546 198 Y N -1.340 119.137 120.300 0.295 0.000 2.523 198 Y HA 0.059 4.610 4.550 0.001 0.000 0.279 198 Y C 1.183 177.227 175.900 0.240 0.000 1.139 198 Y CA -0.261 58.040 58.100 0.335 0.000 1.296 198 Y CB -0.506 38.237 38.460 0.472 0.000 1.045 198 Y HN -0.159 nan 8.280 nan 0.000 0.538 199 N N 2.949 121.649 118.700 -0.000 0.000 2.405 199 N HA 0.015 4.755 4.740 0.001 0.000 0.260 199 N C -1.771 173.540 175.510 -0.332 0.000 1.152 199 N CA -1.659 50.970 53.050 -0.702 0.000 0.948 199 N CB 1.103 38.819 38.487 -1.286 0.000 1.111 199 N HN 0.048 nan 8.380 nan 0.000 0.485 200 P HA -0.148 nan 4.420 nan 0.000 0.217 200 P C 1.013 178.110 177.300 -0.338 0.000 1.148 200 P CA 1.261 64.222 63.100 -0.232 0.000 0.828 200 P CB 0.024 31.595 31.700 -0.215 0.000 0.783 201 F N -1.067 118.753 119.950 -0.218 0.000 2.367 201 F HA -0.055 4.473 4.527 0.001 0.000 0.298 201 F C 2.846 178.605 175.800 -0.068 0.000 1.094 201 F CA 0.869 58.804 58.000 -0.108 0.000 1.409 201 F CB -1.210 37.717 39.000 -0.122 0.000 1.064 201 F HN 0.087 nan 8.300 nan 0.000 0.528 202 H N -0.109 118.918 119.070 -0.072 0.000 2.389 202 H HA -0.054 4.503 4.556 0.001 0.000 0.299 202 H C 2.346 177.656 175.328 -0.029 0.000 1.081 202 H CA 1.451 57.465 56.048 -0.056 0.000 1.345 202 H CB -0.307 29.387 29.762 -0.113 0.000 1.393 202 H HN 0.328 nan 8.280 nan 0.000 0.520 203 G N 0.864 109.669 108.800 0.008 0.000 2.408 203 G HA2 -0.160 3.801 3.960 0.001 0.000 0.217 203 G HA3 -0.160 3.801 3.960 0.001 0.000 0.217 203 G C 1.997 176.809 174.900 -0.148 0.000 1.150 203 G CA 0.439 45.502 45.100 -0.062 0.000 0.776 203 G HN 0.330 nan 8.290 nan 0.000 0.542 204 L N 0.353 121.517 121.223 -0.097 0.000 2.072 204 L HA -0.031 4.309 4.340 0.001 0.000 0.205 204 L C 3.102 179.963 176.870 -0.015 0.000 1.079 204 L CA 1.149 55.930 54.840 -0.098 0.000 0.752 204 L CB -0.356 41.759 42.059 0.094 0.000 0.906 204 L HN 0.317 nan 8.230 nan 0.000 0.436 205 S N 0.128 115.886 115.700 0.097 0.000 2.383 205 S HA -0.183 4.287 4.470 0.001 0.000 0.229 205 S C 1.951 176.516 174.600 -0.059 0.000 1.030 205 S CA 1.296 59.578 58.200 0.136 0.000 1.002 205 S CB -0.231 62.987 63.200 0.030 0.000 0.829 205 S HN 0.293 nan 8.310 nan 0.000 0.467 206 I N 1.256 121.651 120.570 -0.292 0.000 2.315 206 I HA -0.141 4.030 4.170 0.001 0.000 0.248 206 I C 2.739 178.499 176.117 -0.595 0.000 1.117 206 I CA 0.988 61.971 61.300 -0.529 0.000 1.404 206 I CB -0.555 37.077 38.000 -0.614 0.000 1.071 206 I HN 0.360 nan 8.210 nan 0.000 0.419 207 A N 0.998 123.553 122.820 -0.441 0.000 1.908 207 A HA -0.215 4.105 4.320 0.001 0.000 0.218 207 A C 2.002 179.411 177.584 -0.292 0.000 1.181 207 A CA 1.688 53.489 52.037 -0.394 0.000 0.627 207 A CB -0.896 17.789 19.000 -0.524 0.000 0.818 207 A HN 0.342 nan 8.150 nan 0.000 0.445 208 F N -0.927 119.014 119.950 -0.015 0.000 2.259 208 F HA -0.020 4.508 4.527 0.001 0.000 0.298 208 F C 1.969 177.805 175.800 0.061 0.000 1.088 208 F CA 0.898 58.929 58.000 0.052 0.000 1.358 208 F CB -0.674 38.370 39.000 0.072 0.000 1.040 208 F HN 0.239 nan 8.300 nan 0.000 0.505 209 L N -0.746 120.565 121.223 0.147 0.000 2.005 209 L HA -0.214 4.127 4.340 0.001 0.000 0.207 209 L C 2.210 179.225 176.870 0.242 0.000 1.072 209 L CA 1.930 56.855 54.840 0.142 0.000 0.744 209 L CB -1.144 40.936 42.059 0.035 0.000 0.895 209 L HN 0.054 nan 8.230 nan 0.000 0.433 210 Y N 0.139 120.481 120.300 0.070 0.000 2.224 210 Y HA -0.012 4.538 4.550 0.001 0.000 0.289 210 Y C 2.571 178.511 175.900 0.067 0.000 1.146 210 Y CA 0.649 58.780 58.100 0.052 0.000 1.182 210 Y CB -1.672 36.797 38.460 0.015 0.000 0.983 210 Y HN 0.259 nan 8.280 nan 0.000 0.524 211 G N -1.094 107.851 108.800 0.241 0.000 2.418 211 G HA2 -0.221 3.739 3.960 0.001 0.000 0.217 211 G HA3 -0.221 3.739 3.960 0.001 0.000 0.217 211 G C 1.994 177.010 174.900 0.193 0.000 1.158 211 G CA 1.194 46.407 45.100 0.187 0.000 0.771 211 G HN 0.376 nan 8.290 nan 0.000 0.545 212 S N 0.804 116.639 115.700 0.224 0.000 2.382 212 S HA 0.023 4.493 4.470 0.001 0.000 0.228 212 S C 2.738 177.476 174.600 0.229 0.000 1.027 212 S CA 1.148 59.476 58.200 0.212 0.000 0.991 212 S CB -0.260 63.070 63.200 0.215 0.000 0.823 212 S HN 0.574 nan 8.310 nan 0.000 0.469 213 A N 1.168 124.115 122.820 0.211 0.000 1.929 213 A HA 0.042 4.362 4.320 0.001 0.000 0.216 213 A C 2.093 179.769 177.584 0.153 0.000 1.176 213 A CA 1.154 53.301 52.037 0.183 0.000 0.628 213 A CB -0.579 18.510 19.000 0.147 0.000 0.816 213 A HN 0.447 nan 8.150 nan 0.000 0.444 214 L N -0.758 120.543 121.223 0.130 0.000 2.005 214 L HA -0.081 4.260 4.340 0.001 0.000 0.207 214 L C 2.182 179.095 176.870 0.073 0.000 1.072 214 L CA 2.093 56.986 54.840 0.088 0.000 0.744 214 L CB -0.631 41.468 42.059 0.067 0.000 0.895 214 L HN 0.267 nan 8.230 nan 0.000 0.433 215 L N -1.311 119.951 121.223 0.065 0.000 2.046 215 L HA -0.158 4.183 4.340 0.001 0.000 0.208 215 L C 2.275 179.217 176.870 0.121 0.000 1.077 215 L CA 1.710 56.553 54.840 0.005 0.000 0.747 215 L CB -0.943 41.105 42.059 -0.019 0.000 0.896 215 L HN 0.336 nan 8.230 nan 0.000 0.432 216 F N -0.033 119.943 119.950 0.043 0.000 2.259 216 F HA -0.004 4.523 4.527 0.001 0.000 0.298 216 F C 2.356 178.191 175.800 0.059 0.000 1.088 216 F CA 0.667 58.712 58.000 0.075 0.000 1.358 216 F CB -0.917 38.131 39.000 0.080 0.000 1.040 216 F HN 0.177 nan 8.300 nan 0.000 0.505 217 A N -0.008 122.960 122.820 0.247 0.000 1.877 217 A HA -0.213 4.107 4.320 0.001 0.000 0.216 217 A C 2.330 179.999 177.584 0.141 0.000 1.186 217 A CA 1.820 53.932 52.037 0.126 0.000 0.620 217 A CB -0.714 18.340 19.000 0.090 0.000 0.822 217 A HN 0.371 nan 8.150 nan 0.000 0.443 218 M N -1.872 117.812 119.600 0.139 0.000 2.084 218 M HA -0.196 4.285 4.480 0.001 0.000 0.259 218 M C 2.334 178.738 176.300 0.173 0.000 1.072 218 M CA 2.250 57.639 55.300 0.149 0.000 1.107 218 M CB -0.633 31.877 32.600 -0.150 0.000 1.299 218 M HN 0.688 nan 8.290 nan 0.000 0.413 219 H N -0.050 119.028 119.070 0.013 0.000 2.267 219 H HA -0.108 4.448 4.556 0.001 0.000 0.297 219 H C 1.946 177.343 175.328 0.115 0.000 1.080 219 H CA 2.309 58.369 56.048 0.019 0.000 1.278 219 H CB -0.890 28.834 29.762 -0.063 0.000 1.365 219 H HN 0.370 nan 8.280 nan 0.000 0.489 220 G N -0.025 108.851 108.800 0.127 0.000 2.491 220 G HA2 -0.328 3.633 3.960 0.001 0.000 0.218 220 G HA3 -0.328 3.633 3.960 0.001 0.000 0.218 220 G C 1.959 176.810 174.900 -0.082 0.000 1.180 220 G CA 1.684 46.782 45.100 -0.003 0.000 0.774 220 G HN 0.669 nan 8.290 nan 0.000 0.562 221 A N -0.057 122.747 122.820 -0.027 0.000 1.902 221 A HA -0.025 4.295 4.320 0.001 0.000 0.217 221 A C 2.540 180.073 177.584 -0.086 0.000 1.181 221 A CA 2.531 54.532 52.037 -0.060 0.000 0.623 221 A CB -1.019 17.967 19.000 -0.025 0.000 0.818 221 A HN 0.325 nan 8.150 nan 0.000 0.443 222 T N 0.566 115.104 114.554 -0.026 0.000 2.652 222 T HA -0.138 4.212 4.350 0.001 0.000 0.267 222 T C 1.818 176.481 174.700 -0.062 0.000 1.039 222 T CA 1.557 63.646 62.100 -0.018 0.000 1.153 222 T CB -0.326 68.659 68.868 0.195 0.000 0.863 222 T HN 0.292 nan 8.240 nan 0.000 0.428 223 I N 1.238 121.734 120.570 -0.124 0.000 2.163 223 I HA -0.116 4.054 4.170 0.001 0.000 0.243 223 I C 2.400 178.460 176.117 -0.096 0.000 1.085 223 I CA 1.353 62.583 61.300 -0.116 0.000 1.347 223 I CB -1.348 36.531 38.000 -0.203 0.000 1.044 223 I HN 0.287 nan 8.210 nan 0.000 0.408 224 L N 0.464 121.611 121.223 -0.127 0.000 2.083 224 L HA -0.187 4.153 4.340 0.001 0.000 0.209 224 L C 2.742 179.530 176.870 -0.136 0.000 1.083 224 L CA 1.347 56.102 54.840 -0.142 0.000 0.752 224 L CB -0.788 41.170 42.059 -0.169 0.000 0.899 224 L HN 0.196 nan 8.230 nan 0.000 0.433 225 A N 0.065 122.809 122.820 -0.126 0.000 1.972 225 A HA -0.116 4.204 4.320 0.001 0.000 0.219 225 A C 1.867 179.423 177.584 -0.047 0.000 1.169 225 A CA 1.802 53.768 52.037 -0.120 0.000 0.635 225 A CB -0.536 18.360 19.000 -0.174 0.000 0.810 225 A HN 0.373 nan 8.150 nan 0.000 0.446 226 V N -2.083 117.836 119.914 0.009 0.000 3.214 226 V HA 0.164 4.285 4.120 0.001 0.000 0.330 226 V C 1.455 177.587 176.094 0.064 0.000 1.403 226 V CA 0.761 63.161 62.300 0.168 0.000 1.143 226 V CB -0.677 31.300 31.823 0.257 0.000 1.098 226 V HN 0.538 nan 8.190 nan 0.000 0.463 227 S N 1.988 117.654 115.700 -0.058 0.000 2.507 227 S HA -0.169 4.301 4.470 0.001 0.000 0.235 227 S C 1.861 176.384 174.600 -0.128 0.000 0.988 227 S CA 1.029 59.188 58.200 -0.067 0.000 0.944 227 S CB -0.633 62.518 63.200 -0.083 0.000 0.762 227 S HN 0.875 nan 8.310 nan 0.000 0.526 228 R N -0.226 120.090 120.500 -0.306 0.000 2.323 228 R HA 0.179 4.520 4.340 0.001 0.000 0.198 228 R C -0.071 175.853 176.300 -0.627 0.000 0.988 228 R CA 0.529 56.341 56.100 -0.480 0.000 1.041 228 R CB -0.510 29.391 30.300 -0.666 0.000 0.926 228 R HN 0.518 nan 8.270 nan 0.000 0.476 229 F N 0.289 120.238 119.950 -0.002 0.000 2.814 229 F HA 0.447 4.974 4.527 0.001 0.000 0.326 229 F C 1.058 176.859 175.800 0.001 0.000 1.159 229 F CA -0.592 57.408 58.000 0.000 0.000 1.234 229 F CB 1.131 40.128 39.000 -0.004 0.000 1.016 229 F HN 0.174 nan 8.300 nan 0.000 0.510 230 G N 0.638 109.489 108.800 0.085 0.000 2.225 230 G HA2 -0.307 3.653 3.960 0.001 0.000 0.267 230 G HA3 -0.307 3.653 3.960 0.001 0.000 0.267 230 G C 1.485 176.430 174.900 0.074 0.000 1.024 230 G CA 0.344 45.482 45.100 0.064 0.000 0.784 230 G HN 0.721 nan 8.290 nan 0.000 0.507 231 G N 0.911 109.767 108.800 0.093 0.000 2.462 231 G HA2 -0.128 3.832 3.960 0.001 0.000 0.220 231 G HA3 -0.128 3.832 3.960 0.001 0.000 0.220 231 G C 1.494 176.427 174.900 0.055 0.000 1.121 231 G CA 1.463 46.615 45.100 0.086 0.000 0.758 231 G HN 0.869 nan 8.290 nan 0.000 0.559 232 E N 0.971 121.187 120.200 0.027 0.000 2.338 232 E HA -0.119 4.231 4.350 0.001 0.000 0.197 232 E C 1.031 177.646 176.600 0.024 0.000 1.007 232 E CA 0.255 56.664 56.400 0.015 0.000 0.849 232 E CB -0.241 29.453 29.700 -0.009 0.000 0.774 232 E HN 0.327 nan 8.360 nan 0.000 0.506 233 R N 1.647 122.163 120.500 0.027 0.000 4.138 233 R HA 0.133 4.473 4.340 0.001 0.000 0.206 233 R C 0.924 177.238 176.300 0.023 0.000 1.667 233 R CA -0.063 56.048 56.100 0.018 0.000 1.481 233 R CB 0.108 30.418 30.300 0.017 0.000 1.388 233 R HN 0.258 nan 8.270 nan 0.000 0.776 234 E N 0.905 121.121 120.200 0.026 0.000 2.085 234 E HA -0.248 4.103 4.350 0.001 0.000 0.194 234 E C 1.403 177.997 176.600 -0.011 0.000 0.994 234 E CA 1.211 57.630 56.400 0.032 0.000 0.801 234 E CB -0.014 29.708 29.700 0.037 0.000 0.743 234 E HN 0.484 nan 8.360 nan 0.000 0.453 235 L N 1.037 122.234 121.223 -0.044 0.000 2.046 235 L HA -0.186 4.155 4.340 0.001 0.000 0.208 235 L C 2.479 179.336 176.870 -0.022 0.000 1.077 235 L CA 0.977 55.786 54.840 -0.051 0.000 0.747 235 L CB -0.320 41.702 42.059 -0.063 0.000 0.896 235 L HN 0.074 nan 8.230 nan 0.000 0.432 236 E N -0.264 119.930 120.200 -0.009 0.000 2.274 236 E HA -0.151 4.200 4.350 0.001 0.000 0.194 236 E C 2.180 178.787 176.600 0.012 0.000 0.996 236 E CA 0.662 57.062 56.400 0.000 0.000 0.840 236 E CB 0.031 29.733 29.700 0.004 0.000 0.772 236 E HN 0.496 nan 8.360 nan 0.000 0.491 237 Q N -0.149 119.664 119.800 0.021 0.000 2.378 237 Q HA 0.049 4.389 4.340 0.001 0.000 0.205 237 Q C 2.189 178.208 176.000 0.032 0.000 0.954 237 Q CA 0.357 56.180 55.803 0.033 0.000 0.901 237 Q CB 0.271 29.039 28.738 0.051 0.000 0.981 237 Q HN 0.378 nan 8.270 nan 0.000 0.483 238 I N -0.038 120.546 120.570 0.024 0.000 2.500 238 I HA -0.133 4.037 4.170 0.001 0.000 0.252 238 I C 1.970 178.096 176.117 0.013 0.000 1.142 238 I CA 0.754 62.067 61.300 0.022 0.000 1.451 238 I CB -0.060 37.942 38.000 0.003 0.000 1.093 238 I HN -0.006 nan 8.210 nan 0.000 0.430 239 A N -0.839 121.985 122.820 0.006 0.000 2.195 239 A HA -0.018 4.302 4.320 0.001 0.000 0.210 239 A C 0.362 177.951 177.584 0.008 0.000 1.165 239 A CA 0.699 52.738 52.037 0.004 0.000 0.806 239 A CB 0.075 19.073 19.000 -0.003 0.000 0.847 239 A HN 0.346 nan 8.150 nan 0.000 0.482 240 D N -0.892 119.515 120.400 0.012 0.000 2.634 240 D HA 0.101 4.741 4.640 0.001 0.000 0.236 240 D C -0.476 175.833 176.300 0.015 0.000 1.323 240 D CA -0.375 53.632 54.000 0.012 0.000 0.884 240 D CB 0.027 40.833 40.800 0.011 0.000 1.496 240 D HN 0.191 nan 8.370 nan 0.000 0.525 241 R N 1.330 121.840 120.500 0.016 0.000 2.481 241 R HA 0.334 4.674 4.340 0.001 0.000 0.291 241 R C 0.396 176.701 176.300 0.008 0.000 0.934 241 R CA 0.814 56.924 56.100 0.016 0.000 1.116 241 R CB 0.251 30.559 30.300 0.014 0.000 0.895 241 R HN 0.408 nan 8.270 nan 0.000 0.410 242 G N 0.736 109.540 108.800 0.008 0.000 2.667 242 G HA2 0.082 4.043 3.960 0.001 0.000 0.310 242 G HA3 0.082 4.043 3.960 0.001 0.000 0.310 242 G C 0.507 175.383 174.900 -0.040 0.000 1.259 242 G CA -0.339 44.760 45.100 -0.002 0.000 1.019 242 G HN 0.566 nan 8.290 nan 0.000 0.496 243 T N -0.528 113.978 114.554 -0.080 0.000 2.929 243 T HA -0.046 4.304 4.350 0.001 0.000 0.271 243 T C 2.487 177.016 174.700 -0.285 0.000 1.085 243 T CA 2.334 64.311 62.100 -0.205 0.000 1.125 243 T CB -0.490 68.198 68.868 -0.301 0.000 0.874 243 T HN 0.640 nan 8.240 nan 0.000 0.494 244 A N 1.155 123.898 122.820 -0.129 0.000 1.845 244 A HA 0.227 4.548 4.320 0.001 0.000 0.215 244 A C 2.763 180.338 177.584 -0.015 0.000 1.195 244 A CA 1.937 53.971 52.037 -0.006 0.000 0.616 244 A CB -1.452 17.647 19.000 0.165 0.000 0.832 244 A HN 0.635 nan 8.150 nan 0.000 0.443 245 A N -0.274 122.550 122.820 0.006 0.000 1.940 245 A HA -0.193 4.128 4.320 0.001 0.000 0.219 245 A C 1.924 179.500 177.584 -0.013 0.000 1.176 245 A CA 1.744 53.794 52.037 0.023 0.000 0.631 245 A CB -0.535 18.486 19.000 0.036 0.000 0.814 245 A HN 0.678 nan 8.150 nan 0.000 0.446 246 E N -0.509 119.653 120.200 -0.063 0.000 2.072 246 E HA -0.143 4.207 4.350 0.001 0.000 0.190 246 E C 2.291 178.800 176.600 -0.152 0.000 0.982 246 E CA 0.932 57.276 56.400 -0.093 0.000 0.803 246 E CB -0.191 29.446 29.700 -0.104 0.000 0.755 246 E HN 0.577 nan 8.360 nan 0.000 0.453 247 R N 0.780 121.163 120.500 -0.195 0.000 2.115 247 R HA -0.041 4.299 4.340 0.001 0.000 0.230 247 R C 2.371 178.592 176.300 -0.132 0.000 1.111 247 R CA 0.945 56.907 56.100 -0.230 0.000 0.976 247 R CB -0.287 29.849 30.300 -0.273 0.000 0.870 247 R HN 0.084 nan 8.270 nan 0.000 0.445 248 A N 1.691 124.489 122.820 -0.036 0.000 1.858 248 A HA -0.116 4.204 4.320 0.001 0.000 0.216 248 A C 2.440 180.114 177.584 0.151 0.000 1.190 248 A CA 1.705 53.790 52.037 0.080 0.000 0.617 248 A CB -0.737 18.333 19.000 0.116 0.000 0.827 248 A HN 0.371 nan 8.150 nan 0.000 0.443 249 A N -0.387 122.471 122.820 0.064 0.000 1.902 249 A HA -0.049 4.271 4.320 0.001 0.000 0.217 249 A C 2.138 179.692 177.584 -0.050 0.000 1.181 249 A CA 1.547 53.617 52.037 0.056 0.000 0.623 249 A CB -0.619 18.388 19.000 0.013 0.000 0.818 249 A HN 0.474 nan 8.150 nan 0.000 0.443 250 L N -1.901 119.174 121.223 -0.247 0.000 2.291 250 L HA -0.085 4.255 4.340 0.001 0.000 0.214 250 L C 2.378 178.804 176.870 -0.740 0.000 1.120 250 L CA 0.965 55.421 54.840 -0.640 0.000 0.799 250 L CB -0.432 41.045 42.059 -0.970 0.000 0.925 250 L HN 0.563 nan 8.230 nan 0.000 0.446 251 F N -0.093 119.536 119.950 -0.534 0.000 2.146 251 F HA -0.201 4.326 4.527 0.001 0.000 0.298 251 F C 1.900 177.390 175.800 -0.515 0.000 1.096 251 F CA 1.461 59.138 58.000 -0.538 0.000 1.275 251 F CB -0.259 38.380 39.000 -0.602 0.000 1.008 251 F HN -0.033 nan 8.300 nan 0.000 0.480 252 W N 0.471 121.741 121.300 -0.050 0.000 2.476 252 W HA 0.063 4.723 4.660 0.001 0.000 0.281 252 W C 2.728 179.133 176.519 -0.189 0.000 1.230 252 W CA 0.971 58.234 57.345 -0.137 0.000 1.287 252 W CB -0.465 28.926 29.460 -0.115 0.000 1.108 252 W HN -0.120 nan 8.180 nan 0.000 0.567 253 R N -0.217 120.296 120.500 0.022 0.000 2.073 253 R HA -0.180 4.161 4.340 0.001 0.000 0.234 253 R C 1.949 178.364 176.300 0.192 0.000 1.134 253 R CA 2.107 58.263 56.100 0.094 0.000 0.952 253 R CB -0.721 29.631 30.300 0.086 0.000 0.850 253 R HN 0.087 nan 8.270 nan 0.000 0.433 254 W N 0.478 121.702 121.300 -0.126 0.000 2.363 254 W HA -0.039 4.621 4.660 0.001 0.000 0.296 254 W C 2.190 178.572 176.519 -0.228 0.000 1.212 254 W CA 1.165 58.409 57.345 -0.168 0.000 1.260 254 W CB -1.155 28.179 29.460 -0.210 0.000 1.131 254 W HN 0.150 nan 8.180 nan 0.000 0.530 255 T N 0.753 115.214 114.554 -0.155 0.000 2.698 255 T HA -0.127 4.223 4.350 0.001 0.000 0.260 255 T C 1.664 176.355 174.700 -0.015 0.000 1.044 255 T CA 1.896 63.851 62.100 -0.241 0.000 1.149 255 T CB -0.370 68.137 68.868 -0.601 0.000 0.864 255 T HN 0.200 nan 8.240 nan 0.000 0.419 256 M N -0.482 119.171 119.600 0.089 0.000 2.405 256 M HA 0.574 5.055 4.480 0.001 0.000 0.292 256 M C 1.293 177.777 176.300 0.307 0.000 1.111 256 M CA 0.276 55.697 55.300 0.202 0.000 0.979 256 M CB 0.766 33.529 32.600 0.272 0.000 1.426 256 M HN 0.343 nan 8.290 nan 0.000 0.509 257 G N 2.132 111.079 108.800 0.246 0.000 2.199 257 G HA2 -0.286 3.674 3.960 0.001 0.000 0.254 257 G HA3 -0.286 3.674 3.960 0.001 0.000 0.254 257 G C -0.200 174.945 174.900 0.408 0.000 0.982 257 G CA 0.571 45.842 45.100 0.286 0.000 0.632 257 G HN 0.848 nan 8.290 nan 0.000 0.529 258 F N -0.106 119.905 119.950 0.101 0.000 2.713 258 F HA 0.755 5.283 4.527 0.001 0.000 0.311 258 F C -0.866 174.998 175.800 0.106 0.000 1.141 258 F CA -1.596 56.460 58.000 0.094 0.000 0.939 258 F CB 0.625 39.670 39.000 0.075 0.000 1.325 258 F HN 0.394 nan 8.300 nan 0.000 0.453 259 N N 1.044 119.703 118.700 -0.068 0.000 3.039 259 N HA 0.770 5.510 4.740 0.001 0.000 0.257 259 N C -1.708 173.785 175.510 -0.027 0.000 1.497 259 N CA -0.756 52.202 53.050 -0.154 0.000 0.861 259 N CB 2.029 40.521 38.487 0.009 0.000 1.479 259 N HN 1.057 nan 8.380 nan 0.000 0.547 260 A N -0.051 122.745 122.820 -0.041 0.000 2.352 260 A HA 0.808 5.128 4.320 0.001 0.000 0.299 260 A C 0.013 177.648 177.584 0.084 0.000 1.160 260 A CA -0.265 51.814 52.037 0.070 0.000 0.933 260 A CB 0.565 19.571 19.000 0.011 0.000 1.387 260 A HN 0.831 nan 8.150 nan 0.000 0.487 261 T N -3.327 111.292 114.554 0.108 0.000 2.942 261 T HA 0.437 4.788 4.350 0.001 0.000 0.289 261 T C 0.766 175.529 174.700 0.106 0.000 1.044 261 T CA -0.115 62.042 62.100 0.095 0.000 1.023 261 T CB 1.092 70.016 68.868 0.093 0.000 1.123 261 T HN 0.531 nan 8.240 nan 0.000 0.512 262 M N 0.468 120.136 119.600 0.113 0.000 2.202 262 M HA -0.009 4.471 4.480 0.001 0.000 0.262 262 M C 1.991 178.430 176.300 0.232 0.000 1.063 262 M CA 1.766 57.164 55.300 0.164 0.000 1.097 262 M CB -0.805 31.877 32.600 0.136 0.000 1.382 262 M HN 0.896 nan 8.290 nan 0.000 0.413 263 E N -1.312 118.985 120.200 0.161 0.000 2.042 263 E HA -0.038 4.312 4.350 0.001 0.000 0.189 263 E C 2.024 178.738 176.600 0.189 0.000 0.974 263 E CA 0.905 57.404 56.400 0.164 0.000 0.806 263 E CB -0.562 29.181 29.700 0.073 0.000 0.769 263 E HN 0.564 nan 8.360 nan 0.000 0.451 264 G N 1.955 110.836 108.800 0.136 0.000 2.505 264 G HA2 -0.313 3.647 3.960 0.001 0.000 0.220 264 G HA3 -0.313 3.647 3.960 0.001 0.000 0.220 264 G C 1.546 176.549 174.900 0.171 0.000 1.145 264 G CA 1.050 46.228 45.100 0.130 0.000 0.761 264 G HN 0.377 nan 8.290 nan 0.000 0.571 265 I N 0.900 121.534 120.570 0.105 0.000 2.315 265 I HA -0.208 3.962 4.170 0.001 0.000 0.251 265 I C 2.298 178.247 176.117 -0.280 0.000 1.125 265 I CA 1.358 62.603 61.300 -0.091 0.000 1.392 265 I CB -0.490 37.265 38.000 -0.409 0.000 1.065 265 I HN 0.334 nan 8.210 nan 0.000 0.424 266 H N -0.528 118.491 119.070 -0.085 0.000 2.502 266 H HA 0.115 4.671 4.556 0.001 0.000 0.283 266 H C 2.267 177.580 175.328 -0.024 0.000 1.015 266 H CA 0.909 56.891 56.048 -0.110 0.000 1.298 266 H CB -0.080 29.620 29.762 -0.103 0.000 1.411 266 H HN 0.292 nan 8.280 nan 0.000 0.556 267 R N -0.589 119.981 120.500 0.117 0.000 2.093 267 R HA -0.106 4.234 4.340 0.001 0.000 0.224 267 R C 1.490 177.905 176.300 0.192 0.000 1.101 267 R CA 1.154 57.336 56.100 0.136 0.000 0.979 267 R CB -0.246 30.108 30.300 0.089 0.000 0.877 267 R HN 0.374 nan 8.270 nan 0.000 0.441 268 W N 1.030 122.373 121.300 0.072 0.000 2.335 268 W HA -0.173 4.487 4.660 0.001 0.000 0.311 268 W C 2.566 179.100 176.519 0.025 0.000 1.213 268 W CA 1.353 58.733 57.345 0.058 0.000 1.274 268 W CB -0.322 29.108 29.460 -0.051 0.000 1.148 268 W HN 0.176 nan 8.180 nan 0.000 0.498 269 A N 0.182 123.083 122.820 0.135 0.000 1.851 269 A HA -0.240 4.081 4.320 0.001 0.000 0.216 269 A C 1.927 179.510 177.584 -0.003 0.000 1.195 269 A CA 1.833 53.850 52.037 -0.033 0.000 0.622 269 A CB -1.153 17.696 19.000 -0.252 0.000 0.831 269 A HN 0.345 nan 8.150 nan 0.000 0.444 270 I N -2.094 118.461 120.570 -0.025 0.000 2.335 270 I HA -0.278 3.892 4.170 0.001 0.000 0.251 270 I C 2.253 178.266 176.117 -0.173 0.000 1.129 270 I CA 1.449 62.676 61.300 -0.121 0.000 1.402 270 I CB -0.092 37.792 38.000 -0.192 0.000 1.069 270 I HN 0.627 nan 8.210 nan 0.000 0.424 271 W N -0.268 121.030 121.300 -0.003 0.000 2.443 271 W HA -0.176 4.484 4.660 0.000 0.000 0.296 271 W C 2.445 178.924 176.519 -0.066 0.000 1.202 271 W CA 0.697 58.013 57.345 -0.049 0.000 1.312 271 W CB -0.359 29.054 29.460 -0.077 0.000 1.120 271 W HN 0.122 nan 8.180 nan 0.000 0.536 272 M N 1.248 121.008 119.600 0.265 0.000 2.073 272 M HA -0.184 4.296 4.480 0.001 0.000 0.258 272 M C 2.091 178.484 176.300 0.154 0.000 1.070 272 M CA 2.559 58.014 55.300 0.260 0.000 1.103 272 M CB -0.964 31.807 32.600 0.284 0.000 1.321 272 M HN -0.035 nan 8.290 nan 0.000 0.405 273 A N -1.166 121.716 122.820 0.103 0.000 1.855 273 A HA -0.080 4.241 4.320 0.001 0.000 0.215 273 A C 2.218 179.828 177.584 0.043 0.000 1.191 273 A CA 1.874 53.962 52.037 0.084 0.000 0.613 273 A CB -1.321 17.714 19.000 0.058 0.000 0.829 273 A HN 0.379 nan 8.150 nan 0.000 0.442 274 V N 0.176 120.082 119.914 -0.013 0.000 2.469 274 V HA -0.226 3.894 4.120 0.001 0.000 0.251 274 V C 2.395 178.468 176.094 -0.035 0.000 1.064 274 V CA 1.858 64.135 62.300 -0.038 0.000 1.066 274 V CB -0.577 31.144 31.823 -0.169 0.000 0.667 274 V HN 0.559 nan 8.190 nan 0.000 0.461 275 L N -1.141 119.997 121.223 -0.143 0.000 2.478 275 L HA -0.060 4.281 4.340 0.001 0.000 0.223 275 L C 2.234 178.982 176.870 -0.204 0.000 1.140 275 L CA 0.259 54.880 54.840 -0.364 0.000 0.842 275 L CB -0.383 40.985 42.059 -1.152 0.000 0.953 275 L HN 0.194 nan 8.230 nan 0.000 0.452 276 V N 0.126 120.036 119.914 -0.006 0.000 2.220 276 V HA -0.311 3.809 4.120 0.001 0.000 0.246 276 V C 2.637 178.815 176.094 0.140 0.000 1.049 276 V CA 2.633 65.027 62.300 0.157 0.000 1.003 276 V CB -0.962 30.953 31.823 0.153 0.000 0.634 276 V HN 0.647 nan 8.190 nan 0.000 0.444 277 T N -1.819 112.813 114.554 0.129 0.000 3.072 277 T HA -0.054 4.296 4.350 0.001 0.000 0.266 277 T C 1.715 176.581 174.700 0.278 0.000 1.127 277 T CA 1.033 63.234 62.100 0.168 0.000 1.107 277 T CB -0.142 68.826 68.868 0.167 0.000 0.910 277 T HN 0.221 nan 8.240 nan 0.000 0.513 278 L N 2.642 123.999 121.223 0.224 0.000 2.022 278 L HA 0.039 4.380 4.340 0.001 0.000 0.204 278 L C 2.905 179.955 176.870 0.300 0.000 1.076 278 L CA 2.395 57.389 54.840 0.257 0.000 0.749 278 L CB -1.235 40.868 42.059 0.074 0.000 0.903 278 L HN 0.476 nan 8.230 nan 0.000 0.439 279 T N -3.235 111.461 114.554 0.236 0.000 2.720 279 T HA -0.114 4.236 4.350 0.001 0.000 0.268 279 T C 1.967 176.815 174.700 0.246 0.000 1.037 279 T CA 1.033 63.331 62.100 0.330 0.000 1.144 279 T CB -1.566 67.574 68.868 0.453 0.000 0.864 279 T HN 0.391 nan 8.240 nan 0.000 0.444 280 G N 1.477 110.396 108.800 0.197 0.000 2.446 280 G HA2 0.017 3.977 3.960 0.001 0.000 0.217 280 G HA3 0.017 3.977 3.960 0.001 0.000 0.217 280 G C 1.775 176.687 174.900 0.020 0.000 1.168 280 G CA 0.756 45.918 45.100 0.104 0.000 0.771 280 G HN 0.680 nan 8.290 nan 0.000 0.551 281 G N 0.857 109.673 108.800 0.027 0.000 2.442 281 G HA2 -0.176 3.785 3.960 0.001 0.000 0.219 281 G HA3 -0.176 3.785 3.960 0.001 0.000 0.219 281 G C 1.779 176.560 174.900 -0.198 0.000 1.141 281 G CA 0.875 45.778 45.100 -0.328 0.000 0.763 281 G HN 0.463 nan 8.290 nan 0.000 0.554 282 I N 1.105 121.718 120.570 0.071 0.000 2.163 282 I HA -0.059 4.111 4.170 0.001 0.000 0.240 282 I C 3.150 179.092 176.117 -0.291 0.000 1.081 282 I CA 0.958 62.169 61.300 -0.148 0.000 1.353 282 I CB -0.656 36.998 38.000 -0.576 0.000 1.054 282 I HN 0.236 nan 8.210 nan 0.000 0.407 283 G N 1.718 110.363 108.800 -0.259 0.000 2.513 283 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 283 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 283 G C 1.560 176.451 174.900 -0.016 0.000 1.160 283 G CA 0.826 45.870 45.100 -0.095 0.000 0.767 283 G HN 0.198 nan 8.290 nan 0.000 0.571 284 I N 0.396 120.940 120.570 -0.043 0.000 2.286 284 I HA -0.023 4.147 4.170 0.001 0.000 0.245 284 I C 2.641 178.793 176.117 0.059 0.000 1.104 284 I CA 0.525 61.824 61.300 -0.001 0.000 1.397 284 I CB -1.173 36.744 38.000 -0.138 0.000 1.072 284 I HN 0.153 nan 8.210 nan 0.000 0.417 285 L N 0.853 122.046 121.223 -0.050 0.000 2.079 285 L HA -0.162 4.178 4.340 0.001 0.000 0.210 285 L C 2.257 179.159 176.870 0.053 0.000 1.081 285 L CA 1.799 56.619 54.840 -0.033 0.000 0.752 285 L CB -0.566 41.440 42.059 -0.090 0.000 0.896 285 L HN 0.138 nan 8.230 nan 0.000 0.433 286 L N -1.149 120.132 121.223 0.097 0.000 2.395 286 L HA -0.002 4.338 4.340 0.001 0.000 0.218 286 L C 0.912 177.890 176.870 0.181 0.000 1.130 286 L CA -0.040 54.889 54.840 0.148 0.000 0.826 286 L CB -0.415 41.785 42.059 0.235 0.000 0.941 286 L HN 0.065 nan 8.230 nan 0.000 0.451 287 S N 0.364 116.224 115.700 0.266 0.000 2.465 287 S HA 0.361 4.832 4.470 0.001 0.000 0.280 287 S C 1.146 175.805 174.600 0.098 0.000 1.232 287 S CA 0.423 58.733 58.200 0.183 0.000 1.066 287 S CB 0.853 64.112 63.200 0.098 0.000 0.929 287 S HN 0.558 nan 8.310 nan 0.000 0.494 288 G N 3.056 111.938 108.800 0.136 0.000 2.268 288 G HA2 -0.358 3.603 3.960 0.001 0.000 0.240 288 G HA3 -0.358 3.603 3.960 0.001 0.000 0.240 288 G C 1.028 175.938 174.900 0.015 0.000 1.010 288 G CA 0.836 45.999 45.100 0.104 0.000 0.618 288 G HN 0.849 nan 8.290 nan 0.000 0.516 289 T N -2.782 111.783 114.554 0.018 0.000 3.033 289 T HA 0.452 4.802 4.350 0.001 0.000 0.248 289 T C 1.933 176.622 174.700 -0.019 0.000 1.040 289 T CA 1.886 63.986 62.100 -0.001 0.000 1.133 289 T CB 0.440 69.316 68.868 0.014 0.000 0.895 289 T HN 0.692 nan 8.240 nan 0.000 0.465 290 V N 0.072 119.964 119.914 -0.037 0.000 3.480 290 V HA 0.414 4.535 4.120 0.001 0.000 0.263 290 V C -0.103 175.909 176.094 -0.135 0.000 1.442 290 V CA -0.162 62.104 62.300 -0.055 0.000 1.053 290 V CB 1.468 33.277 31.823 -0.023 0.000 0.846 290 V HN 0.328 nan 8.190 nan 0.000 0.440 291 V N 0.726 120.484 119.914 -0.260 0.000 2.577 291 V HA 0.457 4.577 4.120 0.001 0.000 0.303 291 V C -0.007 175.863 176.094 -0.373 0.000 1.042 291 V CA -0.427 61.583 62.300 -0.483 0.000 0.872 291 V CB 1.984 33.021 31.823 -1.311 0.000 0.998 291 V HN 0.212 nan 8.190 nan 0.000 0.423 292 D N 2.000 122.243 120.400 -0.262 0.000 2.301 292 D HA 0.066 4.706 4.640 0.001 0.000 0.206 292 D C 0.509 176.687 176.300 -0.202 0.000 0.979 292 D CA 0.798 54.682 54.000 -0.193 0.000 0.874 292 D CB 0.561 41.267 40.800 -0.158 0.000 0.968 292 D HN 0.499 nan 8.370 nan 0.000 0.510 293 N N -0.371 118.196 118.700 -0.221 0.000 2.533 293 N HA 0.012 4.752 4.740 0.001 0.000 0.289 293 N C -0.151 175.320 175.510 -0.064 0.000 1.103 293 N CA -0.398 52.599 53.050 -0.087 0.000 0.877 293 N CB 0.773 39.261 38.487 0.001 0.000 1.419 293 N HN -0.124 nan 8.380 nan 0.000 0.517 294 W N 2.053 123.495 121.300 0.237 0.000 2.402 294 W HA -0.097 4.563 4.660 0.000 0.000 0.286 294 W C 1.816 178.531 176.519 0.326 0.000 1.221 294 W CA 0.466 58.001 57.345 0.317 0.000 1.257 294 W CB -0.272 29.366 29.460 0.297 0.000 1.120 294 W HN 0.681 nan 8.180 nan 0.000 0.551 295 Y N 0.744 121.153 120.300 0.181 0.000 2.145 295 Y HA -0.287 4.263 4.550 0.001 0.000 0.286 295 Y C 2.227 178.076 175.900 -0.085 0.000 1.145 295 Y CA 2.100 60.005 58.100 -0.325 0.000 1.148 295 Y CB -0.898 37.264 38.460 -0.497 0.000 0.981 295 Y HN -0.218 nan 8.280 nan 0.000 0.507 296 V N -0.481 119.426 119.914 -0.011 0.000 2.237 296 V HA -0.326 3.795 4.120 0.001 0.000 0.245 296 V C 2.127 178.205 176.094 -0.027 0.000 1.046 296 V CA 2.114 64.367 62.300 -0.079 0.000 1.007 296 V CB -1.249 30.588 31.823 0.024 0.000 0.638 296 V HN 0.734 nan 8.190 nan 0.000 0.445 297 W N 1.370 122.632 121.300 -0.063 0.000 2.305 297 W HA -0.199 4.461 4.660 0.000 0.000 0.308 297 W C 2.269 178.878 176.519 0.151 0.000 1.226 297 W CA 2.104 59.472 57.345 0.038 0.000 1.253 297 W CB -0.677 28.725 29.460 -0.097 0.000 1.146 297 W HN 0.264 nan 8.180 nan 0.000 0.507 298 G N -0.388 108.599 108.800 0.312 0.000 2.422 298 G HA2 -0.286 3.674 3.960 0.001 0.000 0.218 298 G HA3 -0.286 3.674 3.960 0.001 0.000 0.218 298 G C 1.397 176.192 174.900 -0.175 0.000 1.146 298 G CA 0.981 46.165 45.100 0.140 0.000 0.769 298 G HN 0.267 nan 8.290 nan 0.000 0.547 299 Q N 0.516 120.141 119.800 -0.291 0.000 2.170 299 Q HA -0.056 4.284 4.340 0.001 0.000 0.203 299 Q C 2.178 178.001 176.000 -0.295 0.000 0.976 299 Q CA 1.244 56.858 55.803 -0.315 0.000 0.858 299 Q CB -0.337 28.183 28.738 -0.365 0.000 0.907 299 Q HN 0.720 nan 8.270 nan 0.000 0.433 300 N N -1.084 117.391 118.700 -0.374 0.000 2.436 300 N HA -0.012 4.728 4.740 0.001 0.000 0.178 300 N C 0.122 175.170 175.510 -0.771 0.000 1.026 300 N CA 0.141 52.860 53.050 -0.552 0.000 0.880 300 N CB 0.226 38.322 38.487 -0.653 0.000 1.061 300 N HN 0.256 nan 8.380 nan 0.000 0.434 301 H N 0.000 118.659 119.070 -0.685 0.000 2.539 301 H HA 0.000 4.556 4.556 0.001 0.000 0.296 301 H CA 0.000 55.619 56.048 -0.714 0.000 1.023 301 H CB 0.000 29.094 29.762 -1.113 0.000 1.292 301 H HN 0.000 nan 8.280 nan 0.000 0.496