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 3maw_1_B DATA FIRST_RESID 34 DATA SEQUENCE GRPLAAAGIV VTGDKAVNIY TSSQTGSIIV KLLPNMPKDK EAcAKAPLEA DATA SEQUENCE YNRTLTTLLT PLGDSIRRIX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XNQNAANILR LKESITATNE AVHEVTDGLS QLAVAVGKMQ DATA SEQUENCE QFVNDQFNNT AQELDcIKIT QQVGVELNLY LTELTTVFGP QITSPALTQL DATA SEQUENCE TIQALYNLAG GNMDYLLTKL GVGNNQLSSL IGSGLITGNP ILYDSQTQLL DATA SEQUENCE GIQVTLPSVG NLNNMRATYL ETLSVSTTKG FASALVPKVV TQVGSVIEEL DATA SEQUENCE DTSYcIETDL DLYcTRIVTF PMSPGIYScL NGNTSAcMYS KTEGALTTPY DATA SEQUENCE MTLKGSVIAN cKMTTcRcAD PPGIISQNYG EAVSLIDRHS cNVLSLDGIT DATA SEQUENCE LRLSGEFDAT YQKNISILDS QVIVTGNLDI STELGNVNNS ISNALDKLEE DATA SEQUENCE SNSKLDKVNV 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 34 G C 0.000 174.893 174.900 -0.011 0.000 0.946 34 G CA 0.000 45.090 45.100 -0.018 0.000 0.502 35 R N -0.468 120.026 120.500 -0.011 0.000 2.492 35 R HA 0.451 4.791 4.340 0.000 0.000 0.219 35 R C -0.104 176.193 176.300 -0.006 0.000 0.886 35 R CA 1.751 57.847 56.100 -0.007 0.000 1.003 35 R CB -1.232 29.064 30.300 -0.006 0.000 1.345 35 R HN 0.505 nan 8.270 nan 0.000 0.631 36 P HA -0.098 nan 4.420 nan 0.000 0.230 36 P C 1.333 178.632 177.300 -0.003 0.000 1.158 36 P CA 0.881 63.979 63.100 -0.003 0.000 0.769 36 P CB -0.193 31.505 31.700 -0.004 0.000 0.807 37 L N -3.274 117.943 121.223 -0.008 0.000 2.465 37 L HA 0.251 4.591 4.340 0.000 0.000 0.224 37 L C 1.923 178.794 176.870 0.002 0.000 1.145 37 L CA 1.176 56.012 54.840 -0.007 0.000 0.834 37 L CB -1.083 40.965 42.059 -0.018 0.000 0.944 37 L HN -0.204 nan 8.230 nan 0.000 0.451 38 A N 0.312 123.133 122.820 0.001 0.000 2.259 38 A HA 0.492 4.812 4.320 0.000 0.000 0.208 38 A C 1.994 179.575 177.584 -0.006 0.000 1.201 38 A CA 0.659 52.697 52.037 0.002 0.000 0.824 38 A CB -0.445 18.555 19.000 0.001 0.000 0.838 38 A HN 0.564 nan 8.150 nan 0.000 0.485 39 A N -1.446 121.372 122.820 -0.004 0.000 2.345 39 A HA 0.612 4.932 4.320 0.000 0.000 0.225 39 A C 1.338 178.920 177.584 -0.004 0.000 1.243 39 A CA 0.746 52.770 52.037 -0.021 0.000 0.875 39 A CB -0.135 18.859 19.000 -0.009 0.000 0.929 39 A HN 0.986 nan 8.150 nan 0.000 0.502 40 A N -2.105 120.737 122.820 0.038 0.000 2.635 40 A HA 0.499 4.819 4.320 0.000 0.000 0.279 40 A C 1.364 179.025 177.584 0.128 0.000 1.122 40 A CA 0.817 52.927 52.037 0.123 0.000 0.965 40 A CB -0.329 18.776 19.000 0.175 0.000 1.221 40 A HN 1.691 nan 8.150 nan 0.000 0.566 41 G N -0.215 108.617 108.800 0.053 0.000 2.176 41 G HA2 -0.200 3.760 3.960 0.000 0.000 0.253 41 G HA3 -0.200 3.760 3.960 0.000 0.000 0.253 41 G C 0.035 174.962 174.900 0.045 0.000 0.979 41 G CA 0.244 45.373 45.100 0.048 0.000 0.641 41 G HN 0.539 nan 8.290 nan 0.000 0.530 42 I N 0.989 121.581 120.570 0.037 0.000 2.315 42 I HA 0.567 4.737 4.170 0.000 0.000 0.291 42 I C 0.140 176.269 176.117 0.020 0.000 1.006 42 I CA -0.891 60.424 61.300 0.024 0.000 1.265 42 I CB 1.698 39.703 38.000 0.009 0.000 1.387 42 I HN -0.016 nan 8.210 nan 0.000 0.475 43 V N 7.868 127.797 119.914 0.025 0.000 2.588 43 V HA 0.412 4.532 4.120 0.000 0.000 0.304 43 V C -0.245 175.869 176.094 0.034 0.000 1.042 43 V CA -0.562 61.754 62.300 0.026 0.000 0.877 43 V CB 2.287 34.128 31.823 0.029 0.000 0.996 43 V HN 0.409 nan 8.190 nan 0.000 0.425 44 V N 6.938 126.871 119.914 0.032 0.000 2.439 44 V HA 0.209 4.329 4.120 0.000 0.000 0.271 44 V C 1.514 177.640 176.094 0.052 0.000 1.040 44 V CA 0.892 63.219 62.300 0.046 0.000 1.002 44 V CB 0.722 32.567 31.823 0.036 0.000 1.000 44 V HN 1.117 nan 8.190 nan 0.000 0.477 45 T N 1.732 116.330 114.554 0.074 0.000 3.021 45 T HA 0.252 4.602 4.350 0.000 0.000 0.245 45 T C 0.834 175.557 174.700 0.039 0.000 1.028 45 T CA 0.566 62.697 62.100 0.052 0.000 1.139 45 T CB 0.304 69.201 68.868 0.048 0.000 0.884 45 T HN 0.763 nan 8.240 nan 0.000 0.457 46 G N 0.178 109.041 108.800 0.105 0.000 2.481 46 G HA2 0.561 4.521 3.960 0.000 0.000 0.315 46 G HA3 0.561 4.521 3.960 0.000 0.000 0.315 46 G C -2.083 172.931 174.900 0.189 0.000 1.231 46 G CA -0.484 44.671 45.100 0.091 0.000 0.968 46 G HN 0.195 nan 8.290 nan 0.000 0.482 47 D N -0.543 119.931 120.400 0.124 0.000 2.365 47 D HA 0.544 5.184 4.640 0.000 0.000 0.235 47 D C -0.031 176.313 176.300 0.074 0.000 1.368 47 D CA -0.240 53.823 54.000 0.104 0.000 1.001 47 D CB 0.765 41.600 40.800 0.057 0.000 1.364 47 D HN 0.713 nan 8.370 nan 0.000 0.577 48 K N 0.700 121.156 120.400 0.094 0.000 2.444 48 K HA 0.959 5.279 4.320 0.000 0.000 0.252 48 K C -0.345 176.266 176.600 0.018 0.000 0.993 48 K CA -0.335 55.979 56.287 0.045 0.000 0.847 48 K CB 1.351 33.881 32.500 0.049 0.000 1.340 48 K HN 0.545 nan 8.250 nan 0.000 0.446 49 A N 0.413 123.221 122.820 -0.021 0.000 2.322 49 A HA 0.648 4.968 4.320 0.000 0.000 0.269 49 A C -0.100 177.453 177.584 -0.052 0.000 1.094 49 A CA -0.358 51.661 52.037 -0.030 0.000 0.807 49 A CB 0.565 19.545 19.000 -0.033 0.000 1.047 49 A HN 0.858 nan 8.150 nan 0.000 0.487 50 V N 2.933 122.829 119.914 -0.030 0.000 2.481 50 V HA 0.377 4.497 4.120 0.000 0.000 0.286 50 V C -0.318 175.770 176.094 -0.010 0.000 1.042 50 V CA -0.693 61.594 62.300 -0.022 0.000 0.928 50 V CB 1.192 33.014 31.823 -0.002 0.000 0.986 50 V HN 0.910 nan 8.190 nan 0.000 0.462 51 N N 3.551 122.255 118.700 0.008 0.000 2.242 51 N HA 0.577 5.317 4.740 0.000 0.000 0.292 51 N C -1.458 174.160 175.510 0.180 0.000 1.125 51 N CA -0.582 52.524 53.050 0.092 0.000 0.783 51 N CB 2.581 41.139 38.487 0.117 0.000 1.558 51 N HN 0.339 nan 8.380 nan 0.000 0.472 52 I N 2.220 122.898 120.570 0.180 0.000 2.406 52 I HA 0.338 4.508 4.170 0.000 0.000 0.290 52 I C -0.414 175.832 176.117 0.215 0.000 0.999 52 I CA -0.687 60.709 61.300 0.160 0.000 1.124 52 I CB 0.472 38.505 38.000 0.055 0.000 1.289 52 I HN 0.526 nan 8.210 nan 0.000 0.441 53 Y N 3.359 123.715 120.300 0.094 0.000 2.598 53 Y HA 0.846 5.396 4.550 0.000 0.000 0.340 53 Y C -0.474 175.448 175.900 0.035 0.000 1.038 53 Y CA -1.015 57.123 58.100 0.063 0.000 1.100 53 Y CB 2.072 40.569 38.460 0.062 0.000 1.281 53 Y HN 0.500 nan 8.280 nan 0.000 0.488 54 T N 0.864 115.445 114.554 0.045 0.000 3.193 54 T HA 0.298 4.648 4.350 0.000 0.000 0.332 54 T C -1.267 173.483 174.700 0.082 0.000 1.208 54 T CA -0.721 61.349 62.100 -0.050 0.000 1.080 54 T CB 0.797 69.626 68.868 -0.065 0.000 1.180 54 T HN 0.734 nan 8.240 nan 0.000 0.469 55 S N 3.365 119.116 115.700 0.084 0.000 4.085 55 S HA 0.176 4.646 4.470 0.000 0.000 0.189 55 S C 0.982 175.607 174.600 0.042 0.000 1.392 55 S CA -0.271 57.980 58.200 0.086 0.000 0.972 55 S CB -0.591 62.665 63.200 0.093 0.000 1.482 55 S HN 0.741 nan 8.310 nan 0.000 0.446 56 S N 0.980 116.699 115.700 0.032 0.000 2.581 56 S HA 0.313 4.783 4.470 0.000 0.000 0.245 56 S C -0.173 174.437 174.600 0.017 0.000 1.115 56 S CA -0.725 57.485 58.200 0.018 0.000 1.093 56 S CB 0.172 63.377 63.200 0.008 0.000 0.853 56 S HN 0.393 nan 8.310 nan 0.000 0.479 57 Q N 1.399 121.211 119.800 0.020 0.000 2.294 57 Q HA 0.381 4.721 4.340 0.000 0.000 0.264 57 Q C -1.226 174.786 176.000 0.020 0.000 0.992 57 Q CA -0.009 55.804 55.803 0.017 0.000 0.747 57 Q CB 1.991 30.737 28.738 0.013 0.000 1.262 57 Q HN 0.395 nan 8.270 nan 0.000 0.452 58 T N 0.682 115.248 114.554 0.020 0.000 2.888 58 T HA 0.857 5.207 4.350 0.000 0.000 0.284 58 T C -0.253 174.462 174.700 0.025 0.000 1.017 58 T CA -0.308 61.806 62.100 0.022 0.000 1.022 58 T CB 1.355 70.235 68.868 0.020 0.000 1.013 58 T HN 0.664 nan 8.240 nan 0.000 0.465 59 G N 0.789 109.606 108.800 0.027 0.000 2.725 59 G HA2 0.600 4.560 3.960 0.000 0.000 0.288 59 G HA3 0.600 4.560 3.960 0.000 0.000 0.288 59 G C -1.361 173.557 174.900 0.030 0.000 1.399 59 G CA -0.648 44.471 45.100 0.031 0.000 0.859 59 G HN 0.770 nan 8.290 nan 0.000 0.479 60 S N -0.058 115.660 115.700 0.030 0.000 2.673 60 S HA 0.425 4.896 4.470 0.000 0.000 0.256 60 S C -0.643 173.971 174.600 0.023 0.000 1.141 60 S CA -0.591 57.623 58.200 0.023 0.000 1.109 60 S CB -0.053 63.156 63.200 0.015 0.000 1.101 60 S HN 0.469 nan 8.310 nan 0.000 0.471 61 I N 5.322 125.907 120.570 0.026 0.000 2.337 61 I HA 0.400 4.570 4.170 0.000 0.000 0.291 61 I C 0.076 176.165 176.117 -0.046 0.000 1.046 61 I CA -0.368 60.944 61.300 0.020 0.000 1.324 61 I CB 1.063 39.110 38.000 0.079 0.000 1.409 61 I HN 0.578 nan 8.210 nan 0.000 0.494 62 I N 8.077 128.626 120.570 -0.035 0.000 2.307 62 I HA 0.316 4.486 4.170 0.000 0.000 0.289 62 I C -0.667 175.409 176.117 -0.067 0.000 1.021 62 I CA -0.523 60.746 61.300 -0.051 0.000 1.224 62 I CB 0.894 38.884 38.000 -0.017 0.000 1.376 62 I HN 0.200 nan 8.210 nan 0.000 0.470 63 V N 7.118 126.950 119.914 -0.137 0.000 2.407 63 V HA 0.370 4.490 4.120 0.000 0.000 0.278 63 V C 0.680 176.774 176.094 0.000 0.000 1.037 63 V CA -0.581 61.641 62.300 -0.129 0.000 0.900 63 V CB 0.975 32.572 31.823 -0.378 0.000 0.983 63 V HN 0.769 nan 8.190 nan 0.000 0.459 64 K N 4.764 125.215 120.400 0.085 0.000 2.231 64 K HA 0.493 4.813 4.320 0.000 0.000 0.275 64 K C 0.678 177.421 176.600 0.237 0.000 1.105 64 K CA -0.242 56.115 56.287 0.118 0.000 0.931 64 K CB -0.198 32.352 32.500 0.084 0.000 1.296 64 K HN 0.743 nan 8.250 nan 0.000 0.446 65 L N 0.446 121.806 121.223 0.227 0.000 2.079 65 L HA -0.084 4.256 4.340 0.000 0.000 0.210 65 L C 0.537 177.687 176.870 0.466 0.000 1.081 65 L CA 0.613 55.666 54.840 0.354 0.000 0.752 65 L CB -0.269 41.919 42.059 0.214 0.000 0.896 65 L HN 0.509 nan 8.230 nan 0.000 0.433 66 L N 0.805 122.187 121.223 0.266 0.000 2.261 66 L HA 0.297 4.637 4.340 0.000 0.000 0.289 66 L C -1.857 175.025 176.870 0.021 0.000 1.059 66 L CA -1.513 53.441 54.840 0.191 0.000 0.816 66 L CB 0.101 42.243 42.059 0.138 0.000 1.191 66 L HN -0.180 nan 8.230 nan 0.000 0.431 67 P HA 0.091 nan 4.420 nan 0.000 0.271 67 P C -0.764 176.449 177.300 -0.146 0.000 1.244 67 P CA -0.321 62.608 63.100 -0.285 0.000 0.793 67 P CB 0.405 31.827 31.700 -0.463 0.000 0.984 68 N N -0.135 118.485 118.700 -0.133 0.000 2.402 68 N HA 0.336 5.076 4.740 0.000 0.000 0.252 68 N C 0.377 175.841 175.510 -0.076 0.000 1.118 68 N CA -0.503 52.499 53.050 -0.079 0.000 0.945 68 N CB 0.116 38.566 38.487 -0.061 0.000 1.147 68 N HN 0.396 nan 8.380 nan 0.000 0.495 69 M N 1.570 121.134 119.600 -0.060 0.000 2.245 69 M HA 0.276 4.756 4.480 0.000 0.000 0.330 69 M C -1.888 174.388 176.300 -0.040 0.000 1.098 69 M CA -1.097 54.172 55.300 -0.052 0.000 1.172 69 M CB -1.068 31.510 32.600 -0.038 0.000 1.467 69 M HN 0.346 nan 8.290 nan 0.000 0.454 70 P HA 0.208 nan 4.420 nan 0.000 0.267 70 P C 0.308 177.595 177.300 -0.022 0.000 1.201 70 P CA -0.184 62.899 63.100 -0.029 0.000 0.775 70 P CB 0.524 32.209 31.700 -0.026 0.000 0.854 71 K N 1.717 122.106 120.400 -0.018 0.000 2.283 71 K HA -0.135 4.185 4.320 0.000 0.000 0.202 71 K C 0.972 177.564 176.600 -0.012 0.000 1.048 71 K CA 1.520 57.798 56.287 -0.014 0.000 0.948 71 K CB -0.672 31.820 32.500 -0.013 0.000 0.742 71 K HN 0.296 nan 8.250 nan 0.000 0.458 72 D N 0.839 121.231 120.400 -0.013 0.000 2.221 72 D HA -0.149 4.491 4.640 0.000 0.000 0.204 72 D C 0.685 176.979 176.300 -0.010 0.000 0.982 72 D CA 1.942 55.936 54.000 -0.011 0.000 0.857 72 D CB -0.249 40.544 40.800 -0.011 0.000 0.934 72 D HN 0.381 nan 8.370 nan 0.000 0.475 73 K N 0.829 121.222 120.400 -0.012 0.000 3.016 73 K HA -0.215 4.106 4.320 0.000 0.000 0.262 73 K C 0.283 176.878 176.600 -0.008 0.000 1.043 73 K CA 1.448 57.729 56.287 -0.010 0.000 0.761 73 K CB -2.624 29.871 32.500 -0.008 0.000 1.230 73 K HN 0.586 nan 8.250 nan 0.000 0.485 74 E N -0.858 119.337 120.200 -0.009 0.000 2.373 74 E HA 0.470 4.820 4.350 0.000 0.000 0.267 74 E C 0.762 177.359 176.600 -0.005 0.000 1.032 74 E CA 0.089 56.485 56.400 -0.007 0.000 0.889 74 E CB 1.315 31.010 29.700 -0.008 0.000 0.984 74 E HN 0.866 nan 8.360 nan 0.000 0.425 75 A N 3.157 125.975 122.820 -0.003 0.000 2.412 75 A HA 0.075 4.395 4.320 0.000 0.000 0.253 75 A C 1.541 179.124 177.584 -0.000 0.000 1.334 75 A CA -0.005 52.032 52.037 -0.001 0.000 0.929 75 A CB -0.913 18.088 19.000 0.001 0.000 0.983 75 A HN 0.734 nan 8.150 nan 0.000 0.508 76 c N -1.751 116.848 118.600 -0.002 0.000 2.634 76 c HA 0.450 5.020 4.570 0.000 0.000 0.268 76 c C 2.221 176.310 174.090 -0.002 0.000 1.322 76 c CA 0.906 57.234 56.329 -0.002 0.000 1.737 76 c CB -0.799 41.709 42.510 -0.004 0.000 1.976 76 c HN 0.691 nan 8.230 nan 0.000 0.547 77 A N -0.449 122.369 122.820 -0.004 0.000 2.423 77 A HA 0.190 4.510 4.320 0.000 0.000 0.246 77 A C 1.912 179.498 177.584 0.003 0.000 1.278 77 A CA 0.049 52.083 52.037 -0.005 0.000 0.903 77 A CB -0.557 18.434 19.000 -0.016 0.000 0.997 77 A HN 0.616 nan 8.150 nan 0.000 0.510 78 K N -0.076 120.328 120.400 0.007 0.000 2.439 78 K HA 0.039 4.359 4.320 0.000 0.000 0.197 78 K C 1.741 178.354 176.600 0.023 0.000 1.041 78 K CA 0.947 57.243 56.287 0.015 0.000 0.970 78 K CB -0.114 32.393 32.500 0.012 0.000 0.773 78 K HN 0.435 nan 8.250 nan 0.000 0.479 79 A N 1.604 124.436 122.820 0.020 0.000 1.861 79 A HA 0.064 4.384 4.320 0.000 0.000 0.212 79 A C -0.684 176.922 177.584 0.037 0.000 1.199 79 A CA 0.200 52.252 52.037 0.025 0.000 0.613 79 A CB -1.150 17.861 19.000 0.019 0.000 0.846 79 A HN 0.242 nan 8.150 nan 0.000 0.446 80 P HA -0.101 nan 4.420 nan 0.000 0.217 80 P C 1.563 178.911 177.300 0.081 0.000 1.150 80 P CA 0.645 63.772 63.100 0.045 0.000 0.832 80 P CB -0.023 31.687 31.700 0.016 0.000 0.787 81 L N 0.235 121.498 121.223 0.067 0.000 2.109 81 L HA -0.091 4.249 4.340 0.000 0.000 0.207 81 L C 2.240 179.196 176.870 0.144 0.000 1.086 81 L CA 1.904 56.813 54.840 0.115 0.000 0.760 81 L CB -1.303 40.795 42.059 0.065 0.000 0.910 81 L HN -0.178 nan 8.230 nan 0.000 0.437 82 E N -0.155 120.098 120.200 0.089 0.000 2.130 82 E HA -0.214 4.136 4.350 0.000 0.000 0.196 82 E C 2.039 178.685 176.600 0.077 0.000 0.998 82 E CA 1.643 58.086 56.400 0.071 0.000 0.806 82 E CB -0.229 29.499 29.700 0.047 0.000 0.738 82 E HN 0.578 nan 8.360 nan 0.000 0.459 83 A N -0.905 121.970 122.820 0.092 0.000 1.935 83 A HA -0.062 4.258 4.320 0.000 0.000 0.214 83 A C 2.110 179.760 177.584 0.110 0.000 1.178 83 A CA 1.063 53.150 52.037 0.084 0.000 0.640 83 A CB -0.812 18.235 19.000 0.077 0.000 0.825 83 A HN 0.501 nan 8.150 nan 0.000 0.447 84 Y N 1.366 121.688 120.300 0.036 0.000 2.145 84 Y HA -0.255 4.295 4.550 0.000 0.000 0.286 84 Y C 2.236 178.168 175.900 0.053 0.000 1.145 84 Y CA 2.209 60.337 58.100 0.048 0.000 1.148 84 Y CB -0.276 38.218 38.460 0.057 0.000 0.981 84 Y HN 0.416 nan 8.280 nan 0.000 0.507 85 N N 0.668 119.416 118.700 0.080 0.000 2.289 85 N HA -0.222 4.519 4.740 0.000 0.000 0.184 85 N C 1.956 177.436 175.510 -0.049 0.000 1.016 85 N CA 1.489 54.534 53.050 -0.009 0.000 0.872 85 N CB -0.377 38.162 38.487 0.085 0.000 0.973 85 N HN 0.476 nan 8.380 nan 0.000 0.433 86 R N -0.654 119.834 120.500 -0.021 0.000 2.093 86 R HA -0.011 4.329 4.340 0.000 0.000 0.224 86 R C 1.607 177.881 176.300 -0.044 0.000 1.101 86 R CA 1.706 57.796 56.100 -0.016 0.000 0.979 86 R CB -0.385 29.919 30.300 0.007 0.000 0.877 86 R HN 0.403 nan 8.270 nan 0.000 0.441 87 T N -1.634 112.873 114.554 -0.078 0.000 3.085 87 T HA 0.058 4.408 4.350 0.000 0.000 0.263 87 T C 1.814 176.433 174.700 -0.136 0.000 1.127 87 T CA 0.370 62.417 62.100 -0.089 0.000 1.103 87 T CB -0.003 68.822 68.868 -0.072 0.000 0.921 87 T HN 0.153 nan 8.240 nan 0.000 0.510 88 L N 1.698 122.807 121.223 -0.190 0.000 2.095 88 L HA 0.011 4.351 4.340 0.000 0.000 0.204 88 L C 3.247 180.082 176.870 -0.059 0.000 1.080 88 L CA 1.609 56.349 54.840 -0.167 0.000 0.759 88 L CB -0.864 41.069 42.059 -0.210 0.000 0.914 88 L HN 0.465 nan 8.230 nan 0.000 0.439 89 T N -4.656 109.888 114.554 -0.017 0.000 2.867 89 T HA -0.138 4.212 4.350 0.000 0.000 0.268 89 T C 1.617 176.316 174.700 -0.002 0.000 1.057 89 T CA 1.529 63.651 62.100 0.036 0.000 1.136 89 T CB -0.587 68.306 68.868 0.043 0.000 0.874 89 T HN 0.159 nan 8.240 nan 0.000 0.466 90 T N 1.150 115.688 114.554 -0.027 0.000 3.118 90 T HA 0.261 4.611 4.350 0.000 0.000 0.260 90 T C 1.332 176.003 174.700 -0.049 0.000 1.139 90 T CA 0.347 62.428 62.100 -0.031 0.000 1.085 90 T CB -0.096 68.755 68.868 -0.028 0.000 0.934 90 T HN 0.198 nan 8.240 nan 0.000 0.518 91 L N -0.476 120.704 121.223 -0.071 0.000 2.717 91 L HA 0.416 4.756 4.340 0.000 0.000 0.239 91 L C 1.287 178.076 176.870 -0.135 0.000 1.086 91 L CA 0.638 55.425 54.840 -0.089 0.000 0.897 91 L CB 0.243 42.249 42.059 -0.088 0.000 1.214 91 L HN 0.102 nan 8.230 nan 0.000 0.508 92 L N -1.566 119.548 121.223 -0.182 0.000 2.537 92 L HA 0.163 4.503 4.340 0.000 0.000 0.224 92 L C 2.046 178.652 176.870 -0.441 0.000 1.065 92 L CA 0.748 55.355 54.840 -0.389 0.000 0.860 92 L CB -0.961 40.759 42.059 -0.566 0.000 1.086 92 L HN 0.121 nan 8.230 nan 0.000 0.482 93 T N 1.521 115.964 114.554 -0.185 0.000 2.665 93 T HA -0.125 4.225 4.350 0.000 0.000 0.268 93 T C -0.449 174.205 174.700 -0.076 0.000 1.035 93 T CA 1.711 63.779 62.100 -0.054 0.000 1.151 93 T CB -0.905 67.976 68.868 0.022 0.000 0.862 93 T HN 0.181 nan 8.240 nan 0.000 0.438 94 P HA -0.049 nan 4.420 nan 0.000 0.215 94 P C 1.634 178.883 177.300 -0.085 0.000 1.153 94 P CA 0.610 63.670 63.100 -0.066 0.000 0.853 94 P CB -0.173 31.490 31.700 -0.062 0.000 0.788 95 L N -0.119 121.017 121.223 -0.146 0.000 1.994 95 L HA 0.001 4.341 4.340 0.000 0.000 0.208 95 L C 2.270 179.061 176.870 -0.131 0.000 1.071 95 L CA 2.492 57.241 54.840 -0.152 0.000 0.745 95 L CB -1.745 40.184 42.059 -0.216 0.000 0.892 95 L HN -0.037 nan 8.230 nan 0.000 0.431 96 G N -1.241 107.444 108.800 -0.192 0.000 2.448 96 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 96 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 96 G C 1.310 176.240 174.900 0.050 0.000 1.127 96 G CA 0.895 45.999 45.100 0.008 0.000 0.766 96 G HN 0.524 nan 8.290 nan 0.000 0.552 97 D N 1.402 121.809 120.400 0.012 0.000 2.117 97 D HA -0.140 4.500 4.640 0.000 0.000 0.198 97 D C 2.582 178.887 176.300 0.008 0.000 0.982 97 D CA 1.558 55.568 54.000 0.017 0.000 0.828 97 D CB -0.363 40.439 40.800 0.004 0.000 0.967 97 D HN 0.325 nan 8.370 nan 0.000 0.464 98 S N -1.114 114.582 115.700 -0.006 0.000 2.720 98 S HA 0.100 4.570 4.470 0.000 0.000 0.222 98 S C 1.672 176.273 174.600 0.002 0.000 0.958 98 S CA -0.012 58.185 58.200 -0.005 0.000 0.943 98 S CB -0.389 62.802 63.200 -0.015 0.000 0.779 98 S HN 0.410 nan 8.310 nan 0.000 0.526 99 I N -0.199 120.378 120.570 0.012 0.000 4.197 99 I HA 0.247 4.417 4.170 0.000 0.000 0.307 99 I C 2.471 178.604 176.117 0.026 0.000 1.236 99 I CA -0.258 61.054 61.300 0.021 0.000 1.321 99 I CB -0.054 37.965 38.000 0.031 0.000 1.309 99 I HN 0.190 nan 8.210 nan 0.000 0.450 100 R N 2.015 122.536 120.500 0.035 0.000 2.193 100 R HA -0.024 4.316 4.340 0.000 0.000 0.229 100 R C 1.311 177.623 176.300 0.020 0.000 1.110 100 R CA 1.248 57.367 56.100 0.031 0.000 0.988 100 R CB 0.138 30.461 30.300 0.039 0.000 0.871 100 R HN 0.275 nan 8.270 nan 0.000 0.458 101 R N -0.201 120.309 120.500 0.016 0.000 2.586 101 R HA 0.360 4.700 4.340 0.000 0.000 0.336 101 R C -0.323 175.983 176.300 0.009 0.000 1.060 101 R CA -0.114 55.993 56.100 0.011 0.000 1.079 101 R CB 0.692 30.997 30.300 0.009 0.000 1.317 101 R HN 0.147 nan 8.270 nan 0.000 0.568 146 Q N -0.394 119.405 119.800 -0.000 0.000 2.096 146 Q HA -0.027 4.313 4.340 0.000 0.000 0.197 146 Q C 1.649 177.649 176.000 -0.000 0.000 0.964 146 Q CA 2.242 58.044 55.803 -0.000 0.000 0.838 146 Q CB -0.849 27.889 28.738 -0.000 0.000 0.906 146 Q HN 0.976 nan 8.270 nan 0.000 0.444 147 N N 0.144 118.844 118.700 -0.000 0.000 2.457 147 N HA 0.148 4.888 4.740 0.000 0.000 0.180 147 N C 1.754 177.264 175.510 -0.000 0.000 1.050 147 N CA 1.360 54.409 53.050 -0.000 0.000 0.906 147 N CB -0.348 38.139 38.487 -0.000 0.000 0.968 147 N HN 0.484 nan 8.380 nan 0.000 0.445 148 A N 0.770 123.590 122.820 -0.000 0.000 2.019 148 A HA 0.188 4.508 4.320 0.000 0.000 0.219 148 A C 2.366 179.950 177.584 -0.001 0.000 1.164 148 A CA 1.536 53.572 52.037 -0.001 0.000 0.644 148 A CB -0.787 18.213 19.000 -0.001 0.000 0.805 148 A HN 0.479 nan 8.150 nan 0.000 0.449 149 A N -0.147 122.673 122.820 -0.001 0.000 2.119 149 A HA -0.070 4.250 4.320 0.000 0.000 0.217 149 A C 1.784 179.368 177.584 -0.001 0.000 1.153 149 A CA 1.315 53.352 52.037 -0.001 0.000 0.692 149 A CB -0.369 18.631 19.000 -0.001 0.000 0.799 149 A HN 0.540 nan 8.150 nan 0.000 0.458 150 N N -0.009 118.690 118.700 -0.000 0.000 2.251 150 N HA -0.070 4.670 4.740 0.000 0.000 0.181 150 N C 1.794 177.304 175.510 -0.000 0.000 1.019 150 N CA 1.701 54.751 53.050 -0.000 0.000 0.862 150 N CB -0.640 37.847 38.487 0.000 0.000 0.992 150 N HN 0.464 nan 8.380 nan 0.000 0.429 151 I N 0.589 121.159 120.570 -0.000 0.000 2.614 151 I HA 0.028 4.198 4.170 0.000 0.000 0.258 151 I C 2.239 178.355 176.117 -0.001 0.000 1.189 151 I CA 1.070 62.370 61.300 -0.000 0.000 1.462 151 I CB -1.189 36.810 38.000 -0.000 0.000 1.092 151 I HN 0.054 nan 8.210 nan 0.000 0.442 152 L N -0.053 121.170 121.223 -0.001 0.000 2.249 152 L HA 0.034 4.374 4.340 0.000 0.000 0.207 152 L C 3.261 180.130 176.870 -0.001 0.000 1.090 152 L CA 1.084 55.923 54.840 -0.001 0.000 0.802 152 L CB -0.679 41.380 42.059 -0.001 0.000 0.947 152 L HN 0.516 nan 8.230 nan 0.000 0.453 153 R N 0.766 121.266 120.500 -0.001 0.000 2.115 153 R HA -0.053 4.287 4.340 0.000 0.000 0.230 153 R C 1.888 178.188 176.300 -0.000 0.000 1.111 153 R CA 1.370 57.469 56.100 -0.001 0.000 0.976 153 R CB -1.486 28.814 30.300 -0.000 0.000 0.870 153 R HN 0.318 nan 8.270 nan 0.000 0.445 154 L N 0.169 121.392 121.223 -0.000 0.000 2.093 154 L HA -0.115 4.225 4.340 0.000 0.000 0.208 154 L C 2.886 179.756 176.870 0.000 0.000 1.085 154 L CA 1.906 56.746 54.840 0.000 0.000 0.755 154 L CB -0.329 41.730 42.059 0.001 0.000 0.904 154 L HN 0.459 nan 8.230 nan 0.000 0.435 155 K N 0.948 121.348 120.400 -0.000 0.000 2.026 155 K HA -0.200 4.120 4.320 0.000 0.000 0.208 155 K C 1.723 178.322 176.600 -0.002 0.000 1.048 155 K CA 1.594 57.880 56.287 -0.001 0.000 0.929 155 K CB -0.017 32.482 32.500 -0.002 0.000 0.713 155 K HN 0.312 nan 8.250 nan 0.000 0.439 156 E N 0.096 120.295 120.200 -0.002 0.000 2.478 156 E HA -0.064 4.287 4.350 0.000 0.000 0.198 156 E C 1.588 178.188 176.600 -0.001 0.000 1.046 156 E CA 0.539 56.938 56.400 -0.002 0.000 0.870 156 E CB 0.272 29.971 29.700 -0.002 0.000 0.818 156 E HN 0.280 nan 8.360 nan 0.000 0.527 157 S N 0.664 116.364 115.700 0.000 0.000 2.441 157 S HA 0.011 4.481 4.470 0.000 0.000 0.224 157 S C 2.073 176.675 174.600 0.003 0.000 1.043 157 S CA 0.338 58.539 58.200 0.001 0.000 0.948 157 S CB 0.080 63.281 63.200 0.002 0.000 0.810 157 S HN 0.392 nan 8.310 nan 0.000 0.504 158 I N -1.184 119.387 120.570 0.002 0.000 3.228 158 I HA 0.162 4.332 4.170 0.000 0.000 0.279 158 I C 2.063 178.182 176.117 0.004 0.000 1.221 158 I CA 0.815 62.117 61.300 0.004 0.000 1.458 158 I CB -0.515 37.487 38.000 0.004 0.000 1.105 158 I HN 0.074 nan 8.210 nan 0.000 0.445 159 T N 0.790 115.344 114.554 0.000 0.000 3.023 159 T HA 0.190 4.540 4.350 0.000 0.000 0.266 159 T C 1.738 176.436 174.700 -0.003 0.000 1.093 159 T CA 1.350 63.448 62.100 -0.003 0.000 1.129 159 T CB -0.069 68.795 68.868 -0.007 0.000 0.899 159 T HN 0.576 nan 8.240 nan 0.000 0.491 160 A N -0.190 122.630 122.820 0.000 0.000 2.044 160 A HA 0.360 4.680 4.320 0.000 0.000 0.213 160 A C 2.461 180.050 177.584 0.008 0.000 1.169 160 A CA 1.500 53.538 52.037 0.002 0.000 0.724 160 A CB -1.078 17.923 19.000 0.001 0.000 0.840 160 A HN 0.558 nan 8.150 nan 0.000 0.463 161 T N 0.085 114.645 114.554 0.009 0.000 2.812 161 T HA -0.148 4.202 4.350 0.000 0.000 0.264 161 T C 1.766 176.478 174.700 0.021 0.000 1.042 161 T CA 1.676 63.783 62.100 0.013 0.000 1.140 161 T CB -0.435 68.439 68.868 0.011 0.000 0.870 161 T HN 0.302 nan 8.240 nan 0.000 0.445 162 N N 0.879 119.592 118.700 0.021 0.000 2.289 162 N HA -0.063 4.678 4.740 0.000 0.000 0.184 162 N C 1.936 177.476 175.510 0.050 0.000 1.016 162 N CA 1.142 54.212 53.050 0.034 0.000 0.872 162 N CB -0.210 38.292 38.487 0.025 0.000 0.973 162 N HN 0.613 nan 8.380 nan 0.000 0.433 163 E N 0.572 120.789 120.200 0.028 0.000 2.204 163 E HA 0.027 4.377 4.350 0.000 0.000 0.195 163 E C 1.525 178.158 176.600 0.055 0.000 0.990 163 E CA 1.004 57.421 56.400 0.028 0.000 0.821 163 E CB -0.134 29.569 29.700 0.005 0.000 0.750 163 E HN 0.343 nan 8.360 nan 0.000 0.477 164 A N -0.630 122.216 122.820 0.043 0.000 2.132 164 A HA 0.080 4.400 4.320 0.000 0.000 0.213 164 A C 2.120 179.730 177.584 0.043 0.000 1.154 164 A CA 0.632 52.692 52.037 0.038 0.000 0.753 164 A CB 0.148 19.162 19.000 0.023 0.000 0.826 164 A HN 0.176 nan 8.150 nan 0.000 0.469 165 V N -1.167 118.779 119.914 0.053 0.000 2.599 165 V HA -0.134 3.986 4.120 0.000 0.000 0.245 165 V C 2.266 178.393 176.094 0.055 0.000 1.046 165 V CA 1.904 64.230 62.300 0.044 0.000 1.065 165 V CB -0.828 31.018 31.823 0.039 0.000 0.703 165 V HN 0.808 nan 8.190 nan 0.000 0.464 166 H N 0.502 119.572 119.070 -0.000 0.000 2.456 166 H HA -0.096 4.460 4.556 0.000 0.000 0.296 166 H C 2.270 177.597 175.328 -0.000 0.000 1.079 166 H CA 1.744 57.791 56.048 -0.000 0.000 1.322 166 H CB 0.311 30.073 29.762 -0.000 0.000 1.388 166 H HN 0.443 nan 8.280 nan 0.000 0.538 167 E N -0.375 119.879 120.200 0.091 0.000 2.076 167 E HA -0.088 4.262 4.350 0.000 0.000 0.190 167 E C 2.358 178.950 176.600 -0.012 0.000 0.979 167 E CA 1.004 57.429 56.400 0.042 0.000 0.807 167 E CB 0.105 29.839 29.700 0.057 0.000 0.761 167 E HN 0.331 nan 8.360 nan 0.000 0.454 168 V N 1.600 121.509 119.914 -0.009 0.000 2.469 168 V HA -0.221 3.899 4.120 0.000 0.000 0.251 168 V C 2.278 178.345 176.094 -0.045 0.000 1.064 168 V CA 1.943 64.231 62.300 -0.019 0.000 1.066 168 V CB -0.710 31.107 31.823 -0.009 0.000 0.667 168 V HN 0.290 nan 8.190 nan 0.000 0.461 169 T N -0.476 114.030 114.554 -0.081 0.000 2.777 169 T HA -0.148 4.202 4.350 0.000 0.000 0.266 169 T C 1.621 176.248 174.700 -0.123 0.000 1.040 169 T CA 1.521 63.551 62.100 -0.117 0.000 1.141 169 T CB -0.306 68.448 68.868 -0.190 0.000 0.868 169 T HN 0.477 nan 8.240 nan 0.000 0.444 170 D N 0.935 121.252 120.400 -0.139 0.000 2.144 170 D HA 0.006 4.646 4.640 0.000 0.000 0.200 170 D C 2.326 178.596 176.300 -0.050 0.000 0.978 170 D CA 0.975 54.918 54.000 -0.095 0.000 0.833 170 D CB -0.691 40.068 40.800 -0.068 0.000 0.961 170 D HN 0.468 nan 8.370 nan 0.000 0.470 171 G N 0.425 109.202 108.800 -0.039 0.000 2.443 171 G HA2 -0.160 3.800 3.960 0.000 0.000 0.219 171 G HA3 -0.160 3.800 3.960 0.000 0.000 0.219 171 G C 1.542 176.427 174.900 -0.025 0.000 1.131 171 G CA 0.285 45.370 45.100 -0.025 0.000 0.775 171 G HN 0.228 nan 8.290 nan 0.000 0.547 172 L N 0.375 121.579 121.223 -0.033 0.000 2.168 172 L HA 0.287 4.627 4.340 0.000 0.000 0.203 172 L C 2.660 179.513 176.870 -0.028 0.000 1.078 172 L CA 1.879 56.702 54.840 -0.028 0.000 0.780 172 L CB -0.334 41.707 42.059 -0.029 0.000 0.939 172 L HN 0.147 nan 8.230 nan 0.000 0.451 173 S N -1.378 114.300 115.700 -0.038 0.000 2.555 173 S HA -0.150 4.321 4.470 0.000 0.000 0.230 173 S C 1.801 176.386 174.600 -0.025 0.000 0.978 173 S CA 1.195 59.374 58.200 -0.034 0.000 0.934 173 S CB -0.137 63.035 63.200 -0.047 0.000 0.766 173 S HN 0.678 nan 8.310 nan 0.000 0.533 174 Q N -0.477 119.308 119.800 -0.024 0.000 2.378 174 Q HA 0.300 4.640 4.340 0.000 0.000 0.229 174 Q C 1.850 177.840 176.000 -0.016 0.000 0.882 174 Q CA 0.066 55.858 55.803 -0.018 0.000 0.936 174 Q CB 0.047 28.774 28.738 -0.017 0.000 1.092 174 Q HN 0.597 nan 8.270 nan 0.000 0.535 175 L N 0.061 121.274 121.223 -0.016 0.000 2.179 175 L HA 0.156 4.496 4.340 0.000 0.000 0.208 175 L C 2.074 178.938 176.870 -0.010 0.000 1.096 175 L CA 1.160 55.992 54.840 -0.014 0.000 0.779 175 L CB -0.145 41.906 42.059 -0.013 0.000 0.922 175 L HN 0.231 nan 8.230 nan 0.000 0.443 176 A N -0.837 121.977 122.820 -0.010 0.000 2.067 176 A HA -0.091 4.229 4.320 0.000 0.000 0.219 176 A C 2.060 179.642 177.584 -0.003 0.000 1.158 176 A CA 1.596 53.630 52.037 -0.006 0.000 0.661 176 A CB -0.577 18.418 19.000 -0.008 0.000 0.801 176 A HN 0.338 nan 8.150 nan 0.000 0.452 177 V N -0.754 119.157 119.914 -0.006 0.000 2.535 177 V HA -0.076 4.044 4.120 0.000 0.000 0.246 177 V C 2.918 179.009 176.094 -0.006 0.000 1.045 177 V CA 1.424 63.722 62.300 -0.004 0.000 1.058 177 V CB -0.884 30.935 31.823 -0.007 0.000 0.689 177 V HN 0.546 nan 8.190 nan 0.000 0.461 178 A N -0.099 122.714 122.820 -0.012 0.000 2.019 178 A HA -0.106 4.214 4.320 0.000 0.000 0.219 178 A C 2.290 179.866 177.584 -0.014 0.000 1.164 178 A CA 1.865 53.890 52.037 -0.020 0.000 0.644 178 A CB -0.397 18.589 19.000 -0.024 0.000 0.805 178 A HN 0.355 nan 8.150 nan 0.000 0.449 179 V N -0.732 119.181 119.914 -0.003 0.000 2.500 179 V HA -0.029 4.091 4.120 0.000 0.000 0.243 179 V C 2.755 178.862 176.094 0.021 0.000 1.039 179 V CA 1.508 63.813 62.300 0.009 0.000 1.053 179 V CB -1.104 30.724 31.823 0.009 0.000 0.695 179 V HN 0.557 nan 8.190 nan 0.000 0.463 180 G N 0.315 109.126 108.800 0.018 0.000 2.408 180 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 180 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 180 G C 1.792 176.714 174.900 0.036 0.000 1.150 180 G CA 1.378 46.494 45.100 0.026 0.000 0.776 180 G HN 0.550 nan 8.290 nan 0.000 0.542 181 K N 0.436 120.852 120.400 0.027 0.000 2.148 181 K HA 0.243 4.563 4.320 0.000 0.000 0.204 181 K C 2.272 178.909 176.600 0.062 0.000 1.050 181 K CA 1.482 57.790 56.287 0.034 0.000 0.942 181 K CB -0.542 31.961 32.500 0.004 0.000 0.724 181 K HN 0.476 nan 8.250 nan 0.000 0.446 182 M N 0.085 119.711 119.600 0.045 0.000 2.492 182 M HA -0.079 4.401 4.480 0.000 0.000 0.262 182 M C 2.475 178.870 176.300 0.157 0.000 1.090 182 M CA 1.272 56.619 55.300 0.078 0.000 1.110 182 M CB 0.156 32.768 32.600 0.021 0.000 1.407 182 M HN 0.589 nan 8.290 nan 0.000 0.470 183 Q N 0.892 120.759 119.800 0.111 0.000 1.965 183 Q HA -0.267 4.073 4.340 0.000 0.000 0.200 183 Q C 1.813 177.887 176.000 0.123 0.000 0.981 183 Q CA 2.288 58.155 55.803 0.107 0.000 0.834 183 Q CB -0.339 28.440 28.738 0.069 0.000 0.900 183 Q HN 0.801 nan 8.270 nan 0.000 0.426 184 Q N -0.836 119.030 119.800 0.110 0.000 2.488 184 Q HA -0.112 4.228 4.340 0.000 0.000 0.211 184 Q C 1.552 177.622 176.000 0.116 0.000 0.967 184 Q CA 0.669 56.527 55.803 0.093 0.000 0.926 184 Q CB -0.262 28.519 28.738 0.071 0.000 0.992 184 Q HN 0.404 nan 8.270 nan 0.000 0.506 185 F N 2.132 122.091 119.950 0.015 0.000 2.092 185 F HA -0.101 4.426 4.527 0.000 0.000 0.286 185 F C 2.079 177.875 175.800 -0.007 0.000 1.116 185 F CA 1.431 59.430 58.000 -0.001 0.000 1.185 185 F CB -0.452 38.542 39.000 -0.008 0.000 1.034 185 F HN -0.025 nan 8.300 nan 0.000 0.479 186 V N -0.052 119.943 119.914 0.135 0.000 2.568 186 V HA -0.257 3.863 4.120 0.000 0.000 0.253 186 V C 2.162 178.299 176.094 0.071 0.000 1.072 186 V CA 2.227 64.533 62.300 0.009 0.000 1.084 186 V CB -1.370 30.604 31.823 0.252 0.000 0.676 186 V HN 0.589 nan 8.190 nan 0.000 0.469 187 N N 1.482 120.238 118.700 0.093 0.000 2.171 187 N HA -0.148 4.592 4.740 0.000 0.000 0.184 187 N C 1.201 176.724 175.510 0.021 0.000 1.021 187 N CA 1.892 55.002 53.050 0.100 0.000 0.854 187 N CB -0.361 38.172 38.487 0.076 0.000 0.994 187 N HN 0.572 nan 8.380 nan 0.000 0.426 188 D N 0.103 120.463 120.400 -0.068 0.000 2.319 188 D HA 0.052 4.692 4.640 0.000 0.000 0.230 188 D C 1.099 177.267 176.300 -0.219 0.000 1.094 188 D CA 0.268 54.202 54.000 -0.110 0.000 0.856 188 D CB 0.368 41.112 40.800 -0.093 0.000 0.915 188 D HN 0.308 nan 8.370 nan 0.000 0.517 189 Q N -1.340 118.280 119.800 -0.299 0.000 2.422 189 Q HA 0.136 4.476 4.340 0.000 0.000 0.255 189 Q C 1.318 177.123 176.000 -0.325 0.000 0.864 189 Q CA 0.121 55.674 55.803 -0.417 0.000 0.968 189 Q CB 0.172 28.480 28.738 -0.716 0.000 1.130 189 Q HN 0.256 nan 8.270 nan 0.000 0.556 190 F N 1.704 121.584 119.950 -0.115 0.000 2.219 190 F HA -0.016 4.511 4.527 0.000 0.000 0.294 190 F C 2.139 177.905 175.800 -0.057 0.000 1.086 190 F CA 0.925 58.885 58.000 -0.067 0.000 1.330 190 F CB -0.220 38.753 39.000 -0.045 0.000 1.047 190 F HN 0.115 nan 8.300 nan 0.000 0.495 191 N N 0.394 119.166 118.700 0.121 0.000 2.396 191 N HA -0.173 4.567 4.740 0.000 0.000 0.180 191 N C 1.422 176.937 175.510 0.009 0.000 1.028 191 N CA 0.729 53.810 53.050 0.052 0.000 0.893 191 N CB -0.426 38.079 38.487 0.030 0.000 0.967 191 N HN 0.059 nan 8.380 nan 0.000 0.440 192 N N -0.988 117.694 118.700 -0.029 0.000 2.463 192 N HA 0.043 4.783 4.740 0.000 0.000 0.181 192 N C 0.703 176.188 175.510 -0.041 0.000 1.078 192 N CA 0.792 53.809 53.050 -0.054 0.000 0.902 192 N CB 0.024 38.446 38.487 -0.109 0.000 0.970 192 N HN 0.118 nan 8.380 nan 0.000 0.451 193 T N -1.062 113.482 114.554 -0.016 0.000 3.023 193 T HA 0.265 4.615 4.350 0.000 0.000 0.249 193 T C 1.698 176.415 174.700 0.030 0.000 1.050 193 T CA 0.496 62.598 62.100 0.004 0.000 1.088 193 T CB 0.028 68.909 68.868 0.023 0.000 0.946 193 T HN 0.263 nan 8.240 nan 0.000 0.480 194 A N 2.268 125.114 122.820 0.043 0.000 2.019 194 A HA -0.159 4.161 4.320 0.000 0.000 0.219 194 A C 2.201 179.794 177.584 0.016 0.000 1.164 194 A CA 1.453 53.510 52.037 0.034 0.000 0.644 194 A CB -0.477 18.544 19.000 0.034 0.000 0.805 194 A HN 0.703 nan 8.150 nan 0.000 0.449 195 Q N -1.848 117.957 119.800 0.008 0.000 2.384 195 Q HA 0.131 4.471 4.340 0.000 0.000 0.207 195 Q C 1.167 177.167 176.000 -0.001 0.000 0.904 195 Q CA 0.324 56.128 55.803 0.001 0.000 0.933 195 Q CB 0.067 28.803 28.738 -0.003 0.000 1.077 195 Q HN 0.501 nan 8.270 nan 0.000 0.522 196 E N 1.203 121.403 120.200 -0.001 0.000 2.030 196 E HA -0.044 4.306 4.350 0.000 0.000 0.189 196 E C 1.950 178.552 176.600 0.002 0.000 0.974 196 E CA 0.643 57.041 56.400 -0.002 0.000 0.807 196 E CB 0.009 29.704 29.700 -0.008 0.000 0.771 196 E HN 0.246 nan 8.360 nan 0.000 0.451 197 L N 2.029 123.257 121.223 0.008 0.000 2.079 197 L HA -0.198 4.142 4.340 0.000 0.000 0.210 197 L C 2.113 178.987 176.870 0.007 0.000 1.081 197 L CA 1.596 56.442 54.840 0.010 0.000 0.752 197 L CB -0.829 41.240 42.059 0.017 0.000 0.896 197 L HN 0.123 nan 8.230 nan 0.000 0.433 198 D N -1.530 118.873 120.400 0.006 0.000 2.149 198 D HA -0.232 4.409 4.640 0.000 0.000 0.198 198 D C 2.382 178.683 176.300 0.000 0.000 0.990 198 D CA 1.323 55.324 54.000 0.003 0.000 0.839 198 D CB -0.177 40.624 40.800 0.002 0.000 0.948 198 D HN 0.401 nan 8.370 nan 0.000 0.460 199 c N -0.344 118.256 118.600 0.000 0.000 2.466 199 c HA 0.081 4.651 4.570 0.000 0.000 0.278 199 c C 2.827 176.917 174.090 -0.000 0.000 1.288 199 c CA 0.076 56.404 56.329 -0.001 0.000 1.722 199 c CB -1.345 41.164 42.510 -0.001 0.000 2.017 199 c HN 0.385 nan 8.230 nan 0.000 0.488 200 I N 0.961 121.532 120.570 0.001 0.000 2.208 200 I HA -0.218 3.952 4.170 0.000 0.000 0.245 200 I C 2.582 178.700 176.117 0.002 0.000 1.097 200 I CA 1.734 63.036 61.300 0.002 0.000 1.363 200 I CB -0.530 37.472 38.000 0.004 0.000 1.051 200 I HN 0.409 nan 8.210 nan 0.000 0.413 201 K N 0.478 120.878 120.400 0.001 0.000 2.057 201 K HA -0.145 4.176 4.320 0.000 0.000 0.207 201 K C 2.068 178.666 176.600 -0.003 0.000 1.049 201 K CA 1.195 57.481 56.287 -0.000 0.000 0.931 201 K CB -0.051 32.449 32.500 0.000 0.000 0.714 201 K HN 0.211 nan 8.250 nan 0.000 0.440 202 I N 1.312 121.879 120.570 -0.004 0.000 2.163 202 I HA -0.212 3.959 4.170 0.000 0.000 0.240 202 I C 2.201 178.312 176.117 -0.009 0.000 1.081 202 I CA 1.617 62.912 61.300 -0.008 0.000 1.353 202 I CB -1.509 36.486 38.000 -0.008 0.000 1.054 202 I HN 0.167 nan 8.210 nan 0.000 0.407 203 T N 0.667 115.218 114.554 -0.005 0.000 2.720 203 T HA -0.263 4.087 4.350 0.000 0.000 0.268 203 T C 1.810 176.508 174.700 -0.003 0.000 1.037 203 T CA 1.942 64.040 62.100 -0.003 0.000 1.144 203 T CB -0.253 68.616 68.868 0.001 0.000 0.864 203 T HN 0.277 nan 8.240 nan 0.000 0.444 204 Q N 1.553 121.352 119.800 -0.001 0.000 2.002 204 Q HA -0.154 4.186 4.340 0.000 0.000 0.204 204 Q C 2.626 178.624 176.000 -0.004 0.000 0.988 204 Q CA 2.884 58.687 55.803 0.000 0.000 0.843 204 Q CB -1.086 27.653 28.738 0.002 0.000 0.908 204 Q HN 0.606 nan 8.270 nan 0.000 0.420 205 Q N -0.306 119.490 119.800 -0.008 0.000 2.077 205 Q HA -0.120 4.220 4.340 0.000 0.000 0.206 205 Q C 2.343 178.330 176.000 -0.021 0.000 0.989 205 Q CA 2.359 58.155 55.803 -0.012 0.000 0.853 205 Q CB -1.346 27.384 28.738 -0.014 0.000 0.907 205 Q HN 0.370 nan 8.270 nan 0.000 0.418 206 V N 0.632 120.530 119.914 -0.026 0.000 2.343 206 V HA -0.153 3.967 4.120 0.000 0.000 0.247 206 V C 2.713 178.781 176.094 -0.044 0.000 1.051 206 V CA 1.807 64.081 62.300 -0.043 0.000 1.036 206 V CB -1.223 30.576 31.823 -0.040 0.000 0.654 206 V HN 0.739 nan 8.190 nan 0.000 0.451 207 G N -0.226 108.562 108.800 -0.021 0.000 2.440 207 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 207 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 207 G C 1.627 176.525 174.900 -0.004 0.000 1.154 207 G CA 1.399 46.495 45.100 -0.006 0.000 0.767 207 G HN 0.406 nan 8.290 nan 0.000 0.552 208 V N 0.446 120.358 119.914 -0.004 0.000 2.346 208 V HA -0.053 4.067 4.120 0.000 0.000 0.244 208 V C 2.557 178.649 176.094 -0.002 0.000 1.037 208 V CA 2.015 64.317 62.300 0.004 0.000 1.029 208 V CB -0.184 31.642 31.823 0.005 0.000 0.663 208 V HN 0.438 nan 8.190 nan 0.000 0.454 209 E N 0.257 120.444 120.200 -0.021 0.000 2.153 209 E HA -0.221 4.129 4.350 0.000 0.000 0.194 209 E C 1.867 178.436 176.600 -0.052 0.000 0.988 209 E CA 1.151 57.533 56.400 -0.030 0.000 0.811 209 E CB -0.245 29.425 29.700 -0.049 0.000 0.746 209 E HN 0.400 nan 8.360 nan 0.000 0.466 210 L N 0.475 121.638 121.223 -0.100 0.000 2.209 210 L HA 0.047 4.388 4.340 0.000 0.000 0.207 210 L C 1.642 178.452 176.870 -0.101 0.000 1.094 210 L CA 1.291 55.993 54.840 -0.229 0.000 0.790 210 L CB -0.502 41.354 42.059 -0.339 0.000 0.932 210 L HN 0.121 nan 8.230 nan 0.000 0.447 211 N N -0.428 118.280 118.700 0.013 0.000 2.188 211 N HA -0.104 4.636 4.740 0.000 0.000 0.184 211 N C 1.855 177.427 175.510 0.104 0.000 1.018 211 N CA 1.232 54.338 53.050 0.094 0.000 0.858 211 N CB -0.153 38.377 38.487 0.072 0.000 0.989 211 N HN 0.337 nan 8.380 nan 0.000 0.426 212 L N -0.519 120.752 121.223 0.080 0.000 2.131 212 L HA -0.193 4.147 4.340 0.000 0.000 0.210 212 L C 2.196 179.150 176.870 0.140 0.000 1.092 212 L CA 1.024 55.917 54.840 0.088 0.000 0.759 212 L CB -0.432 41.669 42.059 0.069 0.000 0.903 212 L HN 0.165 nan 8.230 nan 0.000 0.435 213 Y N 0.119 120.433 120.300 0.024 0.000 2.243 213 Y HA -0.181 4.369 4.550 0.000 0.000 0.293 213 Y C 2.254 178.242 175.900 0.148 0.000 1.124 213 Y CA 1.063 59.199 58.100 0.061 0.000 1.159 213 Y CB 0.008 38.470 38.460 0.005 0.000 1.008 213 Y HN 0.017 nan 8.280 nan 0.000 0.527 214 L N -0.589 120.776 121.223 0.236 0.000 2.141 214 L HA -0.099 4.241 4.340 0.000 0.000 0.209 214 L C 2.304 179.205 176.870 0.052 0.000 1.094 214 L CA 2.470 57.425 54.840 0.193 0.000 0.763 214 L CB -1.157 41.116 42.059 0.356 0.000 0.908 214 L HN 0.287 nan 8.230 nan 0.000 0.437 215 T N -1.897 112.690 114.554 0.056 0.000 3.148 215 T HA -0.084 4.266 4.350 0.000 0.000 0.253 215 T C 1.651 176.344 174.700 -0.012 0.000 1.134 215 T CA 0.954 63.067 62.100 0.021 0.000 1.051 215 T CB -0.085 68.802 68.868 0.032 0.000 0.959 215 T HN 0.585 nan 8.240 nan 0.000 0.525 216 E N -0.528 119.650 120.200 -0.037 0.000 2.201 216 E HA 0.034 4.384 4.350 0.000 0.000 0.193 216 E C 1.657 178.193 176.600 -0.107 0.000 0.957 216 E CA 0.222 56.583 56.400 -0.066 0.000 0.858 216 E CB 0.075 29.752 29.700 -0.039 0.000 0.816 216 E HN 0.333 nan 8.360 nan 0.000 0.475 217 L N 1.059 122.190 121.223 -0.153 0.000 2.131 217 L HA -0.066 4.274 4.340 0.000 0.000 0.206 217 L C 2.610 179.489 176.870 0.015 0.000 1.087 217 L CA 1.964 56.772 54.840 -0.054 0.000 0.767 217 L CB -0.800 41.181 42.059 -0.131 0.000 0.917 217 L HN 0.272 nan 8.230 nan 0.000 0.441 218 T N -5.483 109.060 114.554 -0.019 0.000 3.155 218 T HA -0.072 4.278 4.350 0.000 0.000 0.264 218 T C 1.424 176.107 174.700 -0.027 0.000 1.160 218 T CA 1.413 63.507 62.100 -0.011 0.000 1.075 218 T CB -0.397 68.461 68.868 -0.016 0.000 0.921 218 T HN 0.257 nan 8.240 nan 0.000 0.533 219 T N 0.516 115.038 114.554 -0.053 0.000 3.056 219 T HA 0.210 4.560 4.350 0.000 0.000 0.241 219 T C 2.024 176.643 174.700 -0.135 0.000 1.006 219 T CA 0.230 62.283 62.100 -0.079 0.000 1.115 219 T CB -0.059 68.763 68.868 -0.077 0.000 0.939 219 T HN 0.226 nan 8.240 nan 0.000 0.462 220 V N 0.665 120.454 119.914 -0.209 0.000 2.407 220 V HA 0.100 4.220 4.120 0.000 0.000 0.245 220 V C 1.085 176.805 176.094 -0.623 0.000 1.041 220 V CA 1.377 63.401 62.300 -0.460 0.000 1.040 220 V CB -0.472 30.968 31.823 -0.639 0.000 0.671 220 V HN 0.427 nan 8.190 nan 0.000 0.455 221 F N 0.214 120.140 119.950 -0.040 0.000 2.735 221 F HA 0.471 4.998 4.527 0.000 0.000 0.304 221 F C 1.813 177.589 175.800 -0.041 0.000 1.119 221 F CA 0.085 58.065 58.000 -0.033 0.000 1.280 221 F CB -0.430 38.552 39.000 -0.031 0.000 0.994 221 F HN 0.048 nan 8.300 nan 0.000 0.520 222 G N 1.966 110.797 108.800 0.052 0.000 2.514 222 G HA2 -0.231 3.730 3.960 0.000 0.000 0.217 222 G HA3 -0.231 3.730 3.960 0.000 0.000 0.217 222 G C -0.493 174.420 174.900 0.022 0.000 1.198 222 G CA 0.983 46.096 45.100 0.021 0.000 0.780 222 G HN 0.195 nan 8.290 nan 0.000 0.565 223 P HA -0.135 nan 4.420 nan 0.000 0.217 223 P C 1.748 179.064 177.300 0.027 0.000 1.151 223 P CA 1.505 64.612 63.100 0.013 0.000 0.849 223 P CB -0.003 31.702 31.700 0.008 0.000 0.787 224 Q N -1.311 118.525 119.800 0.061 0.000 2.187 224 Q HA 0.032 4.372 4.340 0.000 0.000 0.199 224 Q C 2.124 178.134 176.000 0.017 0.000 0.957 224 Q CA 1.002 56.837 55.803 0.055 0.000 0.857 224 Q CB -0.743 28.058 28.738 0.103 0.000 0.929 224 Q HN 0.286 nan 8.270 nan 0.000 0.453 225 I N -0.626 119.955 120.570 0.018 0.000 2.439 225 I HA -0.179 3.991 4.170 0.000 0.000 0.251 225 I C 2.015 178.108 176.117 -0.039 0.000 1.139 225 I CA 1.261 62.544 61.300 -0.028 0.000 1.438 225 I CB -0.154 37.832 38.000 -0.024 0.000 1.085 225 I HN 0.177 nan 8.210 nan 0.000 0.427 226 T N -1.166 113.376 114.554 -0.020 0.000 3.088 226 T HA 0.045 4.396 4.350 0.000 0.000 0.259 226 T C 0.618 175.305 174.700 -0.022 0.000 1.122 226 T CA 0.346 62.431 62.100 -0.024 0.000 1.095 226 T CB 0.025 68.882 68.868 -0.017 0.000 0.930 226 T HN 0.197 nan 8.240 nan 0.000 0.508 227 S N -0.448 115.242 115.700 -0.018 0.000 2.533 227 S HA 0.544 5.014 4.470 0.000 0.000 0.271 227 S C -2.499 172.093 174.600 -0.013 0.000 1.143 227 S CA -1.173 57.018 58.200 -0.014 0.000 0.891 227 S CB 1.971 65.167 63.200 -0.008 0.000 1.105 227 S HN -0.087 nan 8.310 nan 0.000 0.468 228 P HA 0.217 nan 4.420 nan 0.000 0.216 228 P C 0.493 177.792 177.300 -0.000 0.000 1.156 228 P CA 0.614 63.708 63.100 -0.009 0.000 0.855 228 P CB -0.086 31.608 31.700 -0.010 0.000 0.786 229 A N -0.025 122.796 122.820 0.001 0.000 2.364 229 A HA 0.156 4.476 4.320 0.000 0.000 0.258 229 A C 0.266 177.855 177.584 0.008 0.000 1.131 229 A CA -0.280 51.760 52.037 0.005 0.000 0.800 229 A CB -0.925 18.077 19.000 0.005 0.000 1.086 229 A HN 0.057 nan 8.150 nan 0.000 0.508 230 L N 0.558 121.788 121.223 0.011 0.000 2.525 230 L HA 0.274 4.614 4.340 0.000 0.000 0.278 230 L C 0.573 177.449 176.870 0.010 0.000 1.218 230 L CA 0.466 55.314 54.840 0.013 0.000 0.878 230 L CB -0.041 42.027 42.059 0.015 0.000 1.127 230 L HN 0.876 nan 8.230 nan 0.000 0.492 231 T N -0.100 114.462 114.554 0.013 0.000 2.933 231 T HA 0.220 4.571 4.350 0.000 0.000 0.305 231 T C -0.638 174.067 174.700 0.008 0.000 1.092 231 T CA -0.950 61.155 62.100 0.009 0.000 1.008 231 T CB 1.678 70.552 68.868 0.011 0.000 1.102 231 T HN 0.572 nan 8.240 nan 0.000 0.469 232 Q N 2.769 122.568 119.800 -0.002 0.000 2.247 232 Q HA 0.199 4.539 4.340 0.000 0.000 0.288 232 Q C -0.224 175.772 176.000 -0.007 0.000 1.079 232 Q CA -0.191 55.607 55.803 -0.009 0.000 0.932 232 Q CB 0.197 28.924 28.738 -0.018 0.000 1.133 232 Q HN 0.645 nan 8.270 nan 0.000 0.377 233 L N 2.914 124.137 121.223 -0.002 0.000 2.456 233 L HA 0.071 4.411 4.340 0.000 0.000 0.266 233 L C 0.534 177.386 176.870 -0.031 0.000 1.258 233 L CA 0.187 55.027 54.840 0.001 0.000 0.823 233 L CB 0.406 42.475 42.059 0.017 0.000 1.100 233 L HN 0.678 nan 8.230 nan 0.000 0.531 234 T N 0.666 115.180 114.554 -0.066 0.000 2.902 234 T HA 0.333 4.684 4.350 0.000 0.000 0.283 234 T C 1.495 176.147 174.700 -0.080 0.000 1.009 234 T CA -0.566 61.475 62.100 -0.099 0.000 1.051 234 T CB 1.368 70.129 68.868 -0.179 0.000 0.999 234 T HN 0.362 nan 8.240 nan 0.000 0.474 235 I N 1.173 121.706 120.570 -0.063 0.000 2.145 235 I HA -0.300 3.870 4.170 0.000 0.000 0.244 235 I C 2.540 178.652 176.117 -0.008 0.000 1.075 235 I CA 1.454 62.737 61.300 -0.027 0.000 1.332 235 I CB -0.443 37.532 38.000 -0.042 0.000 1.033 235 I HN 0.571 nan 8.210 nan 0.000 0.410 236 Q N 0.986 120.739 119.800 -0.078 0.000 2.096 236 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 236 Q C 2.458 178.423 176.000 -0.059 0.000 0.982 236 Q CA 2.105 57.864 55.803 -0.072 0.000 0.850 236 Q CB -0.622 28.019 28.738 -0.161 0.000 0.901 236 Q HN 0.602 nan 8.270 nan 0.000 0.422 237 A N 0.118 122.819 122.820 -0.199 0.000 1.902 237 A HA -0.167 4.153 4.320 0.000 0.000 0.217 237 A C 2.004 179.617 177.584 0.048 0.000 1.181 237 A CA 1.473 53.412 52.037 -0.165 0.000 0.623 237 A CB -0.679 18.191 19.000 -0.216 0.000 0.818 237 A HN 0.371 nan 8.150 nan 0.000 0.443 238 L N -2.012 119.237 121.223 0.044 0.000 2.072 238 L HA -0.047 4.293 4.340 0.000 0.000 0.205 238 L C 2.262 179.189 176.870 0.096 0.000 1.079 238 L CA 2.036 56.917 54.840 0.068 0.000 0.752 238 L CB -0.859 41.230 42.059 0.050 0.000 0.906 238 L HN 0.497 nan 8.230 nan 0.000 0.436 239 Y N 0.391 120.689 120.300 -0.003 0.000 2.165 239 Y HA -0.303 4.247 4.550 0.000 0.000 0.286 239 Y C 2.597 178.513 175.900 0.027 0.000 1.155 239 Y CA 2.290 60.395 58.100 0.008 0.000 1.164 239 Y CB -0.362 38.093 38.460 -0.007 0.000 0.978 239 Y HN 0.456 nan 8.280 nan 0.000 0.513 240 N N -0.096 118.691 118.700 0.146 0.000 2.244 240 N HA -0.175 4.565 4.740 0.000 0.000 0.183 240 N C 1.913 177.451 175.510 0.048 0.000 1.016 240 N CA 1.021 54.131 53.050 0.101 0.000 0.866 240 N CB -0.181 38.416 38.487 0.183 0.000 0.980 240 N HN 0.426 nan 8.380 nan 0.000 0.430 241 L N 1.618 122.877 121.223 0.061 0.000 2.046 241 L HA 0.007 4.347 4.340 0.000 0.000 0.208 241 L C 2.154 179.029 176.870 0.009 0.000 1.077 241 L CA 1.762 56.633 54.840 0.051 0.000 0.747 241 L CB -0.869 41.229 42.059 0.065 0.000 0.896 241 L HN 0.149 nan 8.230 nan 0.000 0.432 242 A N -0.983 121.818 122.820 -0.031 0.000 2.235 242 A HA 0.317 4.637 4.320 0.000 0.000 0.208 242 A C 1.693 179.214 177.584 -0.106 0.000 1.172 242 A CA 0.663 52.673 52.037 -0.045 0.000 0.786 242 A CB -1.221 17.746 19.000 -0.054 0.000 0.804 242 A HN 0.865 nan 8.150 nan 0.000 0.479 243 G N -2.345 106.377 108.800 -0.130 0.000 2.203 243 G HA2 0.065 4.025 3.960 0.000 0.000 0.263 243 G HA3 0.065 4.025 3.960 0.000 0.000 0.263 243 G C 1.548 176.307 174.900 -0.235 0.000 1.012 243 G CA 1.095 46.114 45.100 -0.135 0.000 0.749 243 G HN 2.086 nan 8.290 nan 0.000 0.512 244 G N -0.325 108.180 108.800 -0.491 0.000 2.659 244 G HA2 -0.277 3.683 3.960 0.000 0.000 0.212 244 G HA3 -0.277 3.683 3.960 0.000 0.000 0.212 244 G C 0.423 175.084 174.900 -0.397 0.000 1.226 244 G CA 0.599 45.286 45.100 -0.688 0.000 0.739 244 G HN 1.671 nan 8.290 nan 0.000 0.528 245 N N 1.543 120.127 118.700 -0.192 0.000 2.394 245 N HA 0.327 5.067 4.740 0.000 0.000 0.288 245 N C 1.266 176.764 175.510 -0.020 0.000 1.272 245 N CA 0.599 53.606 53.050 -0.072 0.000 1.004 245 N CB 0.642 39.095 38.487 -0.057 0.000 1.393 245 N HN 0.413 nan 8.380 nan 0.000 0.488 246 M N 2.270 121.865 119.600 -0.009 0.000 2.248 246 M HA 0.067 4.547 4.480 0.000 0.000 0.265 246 M C 0.854 177.192 176.300 0.064 0.000 1.079 246 M CA 1.280 56.598 55.300 0.029 0.000 1.150 246 M CB -0.034 32.606 32.600 0.066 0.000 1.366 246 M HN 0.295 nan 8.290 nan 0.000 0.433 247 D N -1.032 119.411 120.400 0.073 0.000 2.221 247 D HA -0.207 4.433 4.640 0.000 0.000 0.204 247 D C 1.678 178.028 176.300 0.084 0.000 0.982 247 D CA 1.193 55.235 54.000 0.069 0.000 0.857 247 D CB -0.385 40.455 40.800 0.067 0.000 0.934 247 D HN 0.532 nan 8.370 nan 0.000 0.475 248 Y N 0.544 120.839 120.300 -0.008 0.000 2.243 248 Y HA -0.058 4.492 4.550 0.000 0.000 0.293 248 Y C 2.036 177.931 175.900 -0.007 0.000 1.124 248 Y CA 0.643 58.738 58.100 -0.008 0.000 1.159 248 Y CB -0.250 38.200 38.460 -0.015 0.000 1.008 248 Y HN -0.073 nan 8.280 nan 0.000 0.527 249 L N 0.435 121.711 121.223 0.088 0.000 2.012 249 L HA -0.216 4.124 4.340 0.000 0.000 0.210 249 L C 2.070 178.899 176.870 -0.068 0.000 1.073 249 L CA 1.858 56.703 54.840 0.007 0.000 0.748 249 L CB -0.993 41.097 42.059 0.052 0.000 0.891 249 L HN 0.355 nan 8.230 nan 0.000 0.431 250 L N -1.228 119.974 121.223 -0.036 0.000 2.042 250 L HA -0.228 4.112 4.340 0.000 0.000 0.210 250 L C 2.349 179.179 176.870 -0.067 0.000 1.076 250 L CA 1.799 56.619 54.840 -0.034 0.000 0.749 250 L CB -1.207 40.850 42.059 -0.003 0.000 0.893 250 L HN 0.289 nan 8.230 nan 0.000 0.432 251 T N -0.328 114.161 114.554 -0.107 0.000 2.788 251 T HA -0.207 4.143 4.350 0.000 0.000 0.268 251 T C 2.291 176.892 174.700 -0.165 0.000 1.044 251 T CA 1.900 63.923 62.100 -0.129 0.000 1.139 251 T CB -0.284 68.490 68.868 -0.156 0.000 0.867 251 T HN 0.484 nan 8.240 nan 0.000 0.454 252 K N 0.975 121.225 120.400 -0.249 0.000 2.283 252 K HA 0.185 4.505 4.320 0.000 0.000 0.202 252 K C 1.992 178.530 176.600 -0.104 0.000 1.048 252 K CA 0.860 57.019 56.287 -0.213 0.000 0.948 252 K CB -0.863 31.475 32.500 -0.270 0.000 0.742 252 K HN 0.486 nan 8.250 nan 0.000 0.458 253 L N -1.588 119.588 121.223 -0.078 0.000 2.590 253 L HA 0.282 4.622 4.340 0.000 0.000 0.227 253 L C 1.416 178.277 176.870 -0.015 0.000 1.099 253 L CA 0.399 55.218 54.840 -0.036 0.000 0.872 253 L CB 0.390 42.430 42.059 -0.031 0.000 1.088 253 L HN 0.508 nan 8.230 nan 0.000 0.479 254 G N 1.383 110.169 108.800 -0.023 0.000 2.248 254 G HA2 -0.195 3.765 3.960 0.000 0.000 0.252 254 G HA3 -0.195 3.765 3.960 0.000 0.000 0.252 254 G C -0.301 174.614 174.900 0.025 0.000 1.085 254 G CA -0.075 45.026 45.100 0.001 0.000 0.845 254 G HN 0.076 nan 8.290 nan 0.000 0.494 255 V N 0.078 120.001 119.914 0.014 0.000 2.495 255 V HA 0.832 4.952 4.120 0.000 0.000 0.298 255 V C 1.133 177.245 176.094 0.030 0.000 1.031 255 V CA -0.187 62.134 62.300 0.036 0.000 0.871 255 V CB 1.650 33.487 31.823 0.023 0.000 0.988 255 V HN 0.795 nan 8.190 nan 0.000 0.432 256 G N 2.616 111.442 108.800 0.044 0.000 2.599 256 G HA2 0.211 4.171 3.960 0.000 0.000 0.264 256 G HA3 0.211 4.171 3.960 0.000 0.000 0.264 256 G C 0.923 175.845 174.900 0.037 0.000 1.200 256 G CA -0.070 45.051 45.100 0.035 0.000 0.896 256 G HN 0.778 nan 8.290 nan 0.000 0.536 257 N N -0.130 118.589 118.700 0.032 0.000 2.084 257 N HA -0.164 4.576 4.740 0.000 0.000 0.190 257 N C 0.957 176.488 175.510 0.035 0.000 1.030 257 N CA 1.312 54.382 53.050 0.033 0.000 0.849 257 N CB -0.575 37.931 38.487 0.031 0.000 1.012 257 N HN 0.602 nan 8.380 nan 0.000 0.423 258 N N 0.306 119.026 118.700 0.033 0.000 2.652 258 N HA 0.039 4.779 4.740 0.000 0.000 0.259 258 N C 0.441 175.975 175.510 0.041 0.000 1.240 258 N CA -0.077 52.992 53.050 0.032 0.000 0.951 258 N CB 0.183 38.685 38.487 0.025 0.000 1.281 258 N HN 0.477 nan 8.380 nan 0.000 0.507 259 Q N 0.192 120.024 119.800 0.053 0.000 1.988 259 Q HA 0.102 4.442 4.340 0.000 0.000 0.202 259 Q C 0.872 176.927 176.000 0.092 0.000 0.760 259 Q CA -0.078 55.774 55.803 0.083 0.000 0.940 259 Q CB 0.385 29.184 28.738 0.101 0.000 1.214 259 Q HN 0.292 nan 8.270 nan 0.000 0.432 260 L N 0.779 122.037 121.223 0.058 0.000 2.109 260 L HA -0.031 4.309 4.340 0.000 0.000 0.207 260 L C 2.112 179.004 176.870 0.038 0.000 1.086 260 L CA 2.518 57.383 54.840 0.042 0.000 0.760 260 L CB -0.443 41.636 42.059 0.034 0.000 0.910 260 L HN 0.299 nan 8.230 nan 0.000 0.437 261 S N -1.014 114.710 115.700 0.039 0.000 2.374 261 S HA -0.225 4.245 4.470 0.000 0.000 0.227 261 S C 2.019 176.645 174.600 0.043 0.000 1.037 261 S CA 1.543 59.761 58.200 0.030 0.000 1.024 261 S CB -1.246 61.969 63.200 0.025 0.000 0.861 261 S HN 0.677 nan 8.310 nan 0.000 0.456 262 S N 1.624 117.371 115.700 0.079 0.000 2.446 262 S HA 0.154 4.624 4.470 0.000 0.000 0.225 262 S C 1.766 176.468 174.600 0.171 0.000 1.016 262 S CA 0.535 58.812 58.200 0.129 0.000 0.943 262 S CB -0.649 62.641 63.200 0.150 0.000 0.786 262 S HN 0.374 nan 8.310 nan 0.000 0.508 263 L N 1.249 122.537 121.223 0.107 0.000 2.046 263 L HA 0.173 4.513 4.340 0.000 0.000 0.208 263 L C 2.142 178.942 176.870 -0.117 0.000 1.077 263 L CA 1.462 56.247 54.840 -0.092 0.000 0.747 263 L CB -0.757 41.249 42.059 -0.088 0.000 0.896 263 L HN 0.379 nan 8.230 nan 0.000 0.432 264 I N -0.238 120.305 120.570 -0.046 0.000 2.353 264 I HA 0.042 4.213 4.170 0.000 0.000 0.248 264 I C 1.791 177.886 176.117 -0.036 0.000 1.119 264 I CA 1.171 62.444 61.300 -0.044 0.000 1.417 264 I CB -0.840 37.146 38.000 -0.023 0.000 1.078 264 I HN 0.245 nan 8.210 nan 0.000 0.421 265 G N -0.237 108.556 108.800 -0.011 0.000 3.530 265 G HA2 0.192 4.153 3.960 0.000 0.000 0.269 265 G HA3 0.192 4.153 3.960 0.000 0.000 0.269 265 G C 0.821 175.725 174.900 0.006 0.000 1.314 265 G CA 0.552 45.651 45.100 -0.002 0.000 1.441 265 G HN 0.505 nan 8.290 nan 0.000 0.595 266 S N -2.293 113.391 115.700 -0.027 0.000 2.679 266 S HA 0.369 4.839 4.470 0.000 0.000 0.258 266 S C 1.579 176.137 174.600 -0.071 0.000 1.068 266 S CA 0.890 59.069 58.200 -0.035 0.000 1.115 266 S CB 0.359 63.519 63.200 -0.067 0.000 1.078 266 S HN 1.447 nan 8.310 nan 0.000 0.603 267 G N 1.777 110.535 108.800 -0.070 0.000 2.143 267 G HA2 -0.221 3.739 3.960 0.000 0.000 0.248 267 G HA3 -0.221 3.739 3.960 0.000 0.000 0.248 267 G C 0.443 175.297 174.900 -0.077 0.000 0.991 267 G CA 0.567 45.633 45.100 -0.056 0.000 0.689 267 G HN 0.550 nan 8.290 nan 0.000 0.522 268 L N -0.100 121.041 121.223 -0.136 0.000 2.529 268 L HA 0.297 4.637 4.340 0.000 0.000 0.223 268 L C 1.018 177.832 176.870 -0.093 0.000 1.113 268 L CA 0.054 54.804 54.840 -0.151 0.000 0.861 268 L CB 0.090 41.961 42.059 -0.314 0.000 1.012 268 L HN 0.183 nan 8.230 nan 0.000 0.461 269 I N 1.336 121.858 120.570 -0.080 0.000 2.373 269 I HA 0.129 4.299 4.170 0.000 0.000 0.287 269 I C 0.703 176.809 176.117 -0.018 0.000 1.124 269 I CA 0.211 61.484 61.300 -0.045 0.000 1.273 269 I CB -0.611 37.362 38.000 -0.046 0.000 1.578 269 I HN 0.074 nan 8.210 nan 0.000 0.572 270 T N -0.036 114.514 114.554 -0.007 0.000 2.936 270 T HA 0.880 5.230 4.350 0.000 0.000 0.282 270 T C 0.214 174.927 174.700 0.023 0.000 1.003 270 T CA -0.803 61.302 62.100 0.007 0.000 1.005 270 T CB 2.740 71.612 68.868 0.007 0.000 1.097 270 T HN 0.521 nan 8.240 nan 0.000 0.532 271 G N 0.907 109.725 108.800 0.031 0.000 2.720 271 G HA2 0.573 4.533 3.960 0.000 0.000 0.295 271 G HA3 0.573 4.533 3.960 0.000 0.000 0.295 271 G C -1.873 173.049 174.900 0.038 0.000 1.437 271 G CA -1.092 44.034 45.100 0.043 0.000 0.886 271 G HN 1.083 nan 8.290 nan 0.000 0.509 272 N N 0.856 119.576 118.700 0.033 0.000 2.369 272 N HA 0.460 5.200 4.740 0.000 0.000 0.287 272 N C -3.495 172.025 175.510 0.017 0.000 1.067 272 N CA -1.602 51.462 53.050 0.023 0.000 0.888 272 N CB 2.543 41.041 38.487 0.018 0.000 1.616 272 N HN 0.143 nan 8.380 nan 0.000 0.482 273 P HA 0.161 nan 4.420 nan 0.000 0.267 273 P C 0.606 177.913 177.300 0.013 0.000 1.200 273 P CA -0.119 62.983 63.100 0.003 0.000 0.772 273 P CB 0.710 32.403 31.700 -0.010 0.000 0.855 274 I N -0.378 120.203 120.570 0.019 0.000 4.228 274 I HA 0.394 4.564 4.170 0.000 0.000 0.298 274 I C 0.023 176.160 176.117 0.034 0.000 1.206 274 I CA 0.243 61.556 61.300 0.022 0.000 1.322 274 I CB 0.457 38.466 38.000 0.016 0.000 1.411 274 I HN 0.094 nan 8.210 nan 0.000 0.454 275 L N 1.562 122.812 121.223 0.044 0.000 2.516 275 L HA 0.516 4.856 4.340 0.000 0.000 0.267 275 L C -2.041 174.889 176.870 0.100 0.000 0.957 275 L CA -0.799 54.074 54.840 0.054 0.000 0.860 275 L CB 2.565 44.636 42.059 0.021 0.000 1.265 275 L HN 0.231 nan 8.230 nan 0.000 0.403 276 Y N 4.107 124.394 120.300 -0.022 0.000 2.361 276 Y HA 0.521 5.071 4.550 0.000 0.000 0.337 276 Y C -1.250 174.638 175.900 -0.019 0.000 0.965 276 Y CA -0.737 57.347 58.100 -0.025 0.000 1.091 276 Y CB 1.608 40.051 38.460 -0.027 0.000 1.182 276 Y HN 0.592 nan 8.280 nan 0.000 0.450 277 D N 3.200 123.215 120.400 -0.642 0.000 2.280 277 D HA 0.184 4.824 4.640 0.000 0.000 0.236 277 D C 0.761 176.525 176.300 -0.892 0.000 1.082 277 D CA 0.136 53.774 54.000 -0.602 0.000 0.834 277 D CB 1.744 42.379 40.800 -0.274 0.000 1.100 277 D HN 0.633 nan 8.370 nan 0.000 0.486 278 S N 3.034 118.304 115.700 -0.717 0.000 2.383 278 S HA -0.224 4.246 4.470 0.000 0.000 0.227 278 S C 1.654 176.139 174.600 -0.192 0.000 1.026 278 S CA 0.929 58.879 58.200 -0.418 0.000 0.981 278 S CB -0.206 62.902 63.200 -0.153 0.000 0.818 278 S HN 0.654 nan 8.310 nan 0.000 0.472 279 Q N 1.220 120.921 119.800 -0.165 0.000 1.969 279 Q HA -0.087 4.253 4.340 0.000 0.000 0.198 279 Q C 1.860 177.818 176.000 -0.069 0.000 0.978 279 Q CA 1.902 57.653 55.803 -0.087 0.000 0.830 279 Q CB -0.568 28.127 28.738 -0.072 0.000 0.896 279 Q HN 0.577 nan 8.270 nan 0.000 0.431 280 T N 0.833 115.336 114.554 -0.085 0.000 3.007 280 T HA -0.067 4.283 4.350 0.000 0.000 0.270 280 T C -0.095 174.589 174.700 -0.027 0.000 1.107 280 T CA 0.640 62.711 62.100 -0.048 0.000 1.118 280 T CB 0.042 68.879 68.868 -0.051 0.000 0.889 280 T HN 0.365 nan 8.240 nan 0.000 0.506 281 Q N -0.200 119.561 119.800 -0.064 0.000 2.459 281 Q HA -0.146 4.194 4.340 0.000 0.000 0.314 281 Q C -0.980 175.049 176.000 0.048 0.000 1.432 281 Q CA 0.225 56.038 55.803 0.016 0.000 0.823 281 Q CB -1.794 26.991 28.738 0.078 0.000 1.124 281 Q HN 0.393 nan 8.270 nan 0.000 0.392 282 L N 1.111 122.328 121.223 -0.011 0.000 2.345 282 L HA 0.501 4.841 4.340 0.000 0.000 0.274 282 L C -0.916 175.982 176.870 0.047 0.000 0.999 282 L CA -0.729 54.120 54.840 0.015 0.000 0.849 282 L CB 1.258 43.306 42.059 -0.018 0.000 1.220 282 L HN 0.301 nan 8.230 nan 0.000 0.422 283 L N 4.510 125.773 121.223 0.067 0.000 2.312 283 L HA 0.829 5.169 4.340 0.000 0.000 0.281 283 L C 0.230 177.086 176.870 -0.024 0.000 1.070 283 L CA 0.167 55.046 54.840 0.064 0.000 0.805 283 L CB 1.423 43.479 42.059 -0.004 0.000 1.174 283 L HN 0.667 nan 8.230 nan 0.000 0.434 284 G N 6.190 114.989 108.800 -0.002 0.000 2.544 284 G HA2 0.644 4.604 3.960 0.000 0.000 0.313 284 G HA3 0.644 4.604 3.960 0.000 0.000 0.313 284 G C -1.114 173.771 174.900 -0.026 0.000 1.316 284 G CA -0.437 44.650 45.100 -0.023 0.000 0.944 284 G HN 0.592 nan 8.290 nan 0.000 0.489 285 I N 0.930 121.476 120.570 -0.039 0.000 2.509 285 I HA 0.339 4.509 4.170 0.000 0.000 0.293 285 I C -0.165 175.958 176.117 0.010 0.000 1.020 285 I CA -0.791 60.500 61.300 -0.014 0.000 1.088 285 I CB 2.646 40.635 38.000 -0.018 0.000 1.267 285 I HN 0.379 nan 8.210 nan 0.000 0.430 286 Q N 5.220 125.032 119.800 0.019 0.000 2.331 286 Q HA 0.459 4.799 4.340 0.000 0.000 0.257 286 Q C -1.458 174.561 176.000 0.032 0.000 0.957 286 Q CA -0.519 55.298 55.803 0.023 0.000 0.923 286 Q CB 1.539 30.289 28.738 0.020 0.000 1.212 286 Q HN 0.516 nan 8.270 nan 0.000 0.443 287 V N 3.484 123.420 119.914 0.036 0.000 2.617 287 V HA 0.471 4.591 4.120 0.000 0.000 0.298 287 V C 0.067 176.179 176.094 0.031 0.000 1.048 287 V CA -0.443 61.881 62.300 0.040 0.000 0.964 287 V CB 1.678 33.531 31.823 0.050 0.000 1.004 287 V HN 0.943 nan 8.190 nan 0.000 0.466 288 T N 3.038 117.608 114.554 0.027 0.000 2.890 288 T HA 0.745 5.095 4.350 0.000 0.000 0.295 288 T C -0.983 173.726 174.700 0.015 0.000 0.993 288 T CA -0.573 61.541 62.100 0.023 0.000 0.979 288 T CB 0.769 69.653 68.868 0.026 0.000 0.967 288 T HN 0.337 nan 8.240 nan 0.000 0.441 289 L N 4.202 125.433 121.223 0.014 0.000 2.333 289 L HA 0.712 5.052 4.340 0.000 0.000 0.269 289 L C -2.361 174.515 176.870 0.011 0.000 1.010 289 L CA -2.739 52.102 54.840 0.001 0.000 0.818 289 L CB 2.610 44.668 42.059 -0.001 0.000 1.306 289 L HN 0.424 nan 8.230 nan 0.000 0.430 290 P HA 0.154 nan 4.420 nan 0.000 0.287 290 P C -1.118 176.201 177.300 0.032 0.000 1.270 290 P CA -0.622 62.504 63.100 0.043 0.000 0.844 290 P CB 1.928 33.631 31.700 0.005 0.000 1.068 291 S N 1.400 117.139 115.700 0.065 0.000 2.520 291 S HA 0.356 4.826 4.470 0.000 0.000 0.324 291 S C -0.598 174.052 174.600 0.084 0.000 1.069 291 S CA -0.664 57.563 58.200 0.046 0.000 1.121 291 S CB -0.282 62.934 63.200 0.027 0.000 0.971 291 S HN 0.321 nan 8.310 nan 0.000 0.463 292 V N 4.961 124.926 119.914 0.085 0.000 2.532 292 V HA 0.894 5.014 4.120 0.000 0.000 0.295 292 V C 0.387 176.544 176.094 0.105 0.000 1.041 292 V CA -0.161 62.225 62.300 0.143 0.000 0.926 292 V CB 1.477 33.413 31.823 0.189 0.000 0.992 292 V HN 0.926 nan 8.190 nan 0.000 0.457 293 G N 5.150 114.015 108.800 0.108 0.000 2.744 293 G HA2 0.264 4.224 3.960 0.000 0.000 0.309 293 G HA3 0.264 4.224 3.960 0.000 0.000 0.309 293 G C -0.297 174.647 174.900 0.073 0.000 1.328 293 G CA -0.596 44.545 45.100 0.070 0.000 1.034 293 G HN 0.882 nan 8.290 nan 0.000 0.518 294 N N 2.246 120.985 118.700 0.065 0.000 2.454 294 N HA 0.119 4.859 4.740 0.000 0.000 0.254 294 N C -0.390 175.139 175.510 0.032 0.000 1.228 294 N CA -0.011 53.070 53.050 0.052 0.000 0.900 294 N CB 0.603 39.117 38.487 0.044 0.000 1.089 294 N HN 0.238 nan 8.380 nan 0.000 0.449 295 L N 3.100 124.337 121.223 0.023 0.000 2.316 295 L HA 0.345 4.685 4.340 0.000 0.000 0.280 295 L C -0.360 176.515 176.870 0.008 0.000 1.006 295 L CA -0.997 53.851 54.840 0.013 0.000 0.836 295 L CB 1.276 43.340 42.059 0.010 0.000 1.221 295 L HN 0.571 nan 8.230 nan 0.000 0.418 296 N N 1.938 120.642 118.700 0.008 0.000 2.445 296 N HA 0.154 4.894 4.740 0.000 0.000 0.264 296 N C 0.914 176.427 175.510 0.005 0.000 1.227 296 N CA -0.222 52.832 53.050 0.006 0.000 0.963 296 N CB 0.572 39.063 38.487 0.007 0.000 1.188 296 N HN 0.584 nan 8.380 nan 0.000 0.491 297 N N -1.009 117.694 118.700 0.005 0.000 2.929 297 N HA -0.240 4.500 4.740 0.000 0.000 0.234 297 N C -0.593 174.920 175.510 0.005 0.000 0.908 297 N CA 1.241 54.294 53.050 0.005 0.000 0.993 297 N CB -0.903 37.587 38.487 0.005 0.000 1.075 297 N HN 0.737 nan 8.380 nan 0.000 0.603 298 M N 1.004 120.605 119.600 0.003 0.000 2.114 298 M HA 0.376 4.857 4.480 0.000 0.000 0.332 298 M C -1.177 175.123 176.300 0.000 0.000 1.014 298 M CA -0.538 54.762 55.300 0.001 0.000 0.956 298 M CB 0.831 33.430 32.600 -0.002 0.000 1.551 298 M HN 0.052 nan 8.290 nan 0.000 0.427 299 R N 3.725 124.226 120.500 0.001 0.000 2.532 299 R HA 0.644 4.984 4.340 0.000 0.000 0.297 299 R C -0.909 175.390 176.300 -0.003 0.000 0.984 299 R CA -0.736 55.366 56.100 0.003 0.000 0.884 299 R CB 2.118 32.423 30.300 0.008 0.000 1.182 299 R HN 0.834 nan 8.270 nan 0.000 0.442 300 A N 2.127 124.944 122.820 -0.006 0.000 2.401 300 A HA 0.403 4.723 4.320 0.000 0.000 0.259 300 A C -0.210 177.362 177.584 -0.021 0.000 1.103 300 A CA 0.210 52.219 52.037 -0.045 0.000 0.789 300 A CB 0.561 19.519 19.000 -0.070 0.000 1.035 300 A HN 0.585 nan 8.150 nan 0.000 0.491 301 T N 2.542 117.048 114.554 -0.079 0.000 2.841 301 T HA 0.473 4.823 4.350 0.000 0.000 0.285 301 T C -1.188 173.469 174.700 -0.073 0.000 0.991 301 T CA 0.031 62.130 62.100 -0.001 0.000 0.966 301 T CB 0.390 69.263 68.868 0.009 0.000 0.962 301 T HN 0.393 nan 8.240 nan 0.000 0.438 302 Y N 2.843 123.147 120.300 0.007 0.000 2.336 302 Y HA 0.542 5.093 4.550 0.000 0.000 0.335 302 Y C 0.235 176.139 175.900 0.007 0.000 1.046 302 Y CA -0.920 57.185 58.100 0.009 0.000 1.198 302 Y CB 0.602 39.066 38.460 0.008 0.000 1.182 302 Y HN 0.376 nan 8.280 nan 0.000 0.502 303 L N 4.134 125.423 121.223 0.109 0.000 2.362 303 L HA 0.541 4.881 4.340 0.000 0.000 0.275 303 L C -0.471 176.437 176.870 0.063 0.000 0.998 303 L CA -0.617 54.264 54.840 0.067 0.000 0.820 303 L CB 2.081 44.154 42.059 0.024 0.000 1.270 303 L HN 0.622 nan 8.230 nan 0.000 0.415 304 E N 1.075 121.308 120.200 0.055 0.000 2.359 304 E HA 0.678 5.028 4.350 0.000 0.000 0.266 304 E C -1.250 175.370 176.600 0.033 0.000 0.920 304 E CA -0.778 55.648 56.400 0.043 0.000 0.788 304 E CB 2.829 32.556 29.700 0.045 0.000 1.279 304 E HN 0.424 nan 8.360 nan 0.000 0.438 305 T N 0.935 115.506 114.554 0.029 0.000 2.909 305 T HA 0.505 4.855 4.350 0.000 0.000 0.299 305 T C -0.531 174.188 174.700 0.032 0.000 1.073 305 T CA -0.626 61.493 62.100 0.032 0.000 0.999 305 T CB 0.946 69.834 68.868 0.033 0.000 1.098 305 T HN 0.224 nan 8.240 nan 0.000 0.477 306 L N 1.200 122.446 121.223 0.038 0.000 2.341 306 L HA 0.688 5.028 4.340 0.000 0.000 0.267 306 L C 0.425 177.322 176.870 0.045 0.000 1.022 306 L CA -1.165 53.696 54.840 0.034 0.000 0.844 306 L CB 1.554 43.634 42.059 0.035 0.000 1.436 306 L HN 0.741 nan 8.230 nan 0.000 0.483 307 S N 0.141 115.866 115.700 0.042 0.000 2.475 307 S HA 0.680 5.150 4.470 0.000 0.000 0.281 307 S C -0.682 173.937 174.600 0.031 0.000 1.198 307 S CA -0.614 57.618 58.200 0.053 0.000 1.063 307 S CB 1.144 64.386 63.200 0.070 0.000 0.972 307 S HN 0.268 nan 8.310 nan 0.000 0.486 308 V N 2.837 122.747 119.914 -0.007 0.000 2.760 308 V HA 0.513 4.633 4.120 0.000 0.000 0.309 308 V C 0.225 176.202 176.094 -0.195 0.000 1.077 308 V CA -0.926 61.319 62.300 -0.092 0.000 0.910 308 V CB 2.151 33.910 31.823 -0.108 0.000 1.008 308 V HN 1.115 nan 8.190 nan 0.000 0.424 309 S N 3.002 118.535 115.700 -0.278 0.000 2.537 309 S HA 0.502 4.972 4.470 0.000 0.000 0.286 309 S C 0.197 174.576 174.600 -0.370 0.000 1.299 309 S CA 0.252 58.192 58.200 -0.432 0.000 1.067 309 S CB 0.743 63.588 63.200 -0.593 0.000 0.864 309 S HN 1.153 nan 8.310 nan 0.000 0.494 310 T N -0.705 113.635 114.554 -0.358 0.000 2.591 310 T HA 0.437 4.787 4.350 0.000 0.000 0.274 310 T C 1.222 175.797 174.700 -0.208 0.000 0.945 310 T CA -0.252 61.634 62.100 -0.357 0.000 1.087 310 T CB 0.043 68.540 68.868 -0.619 0.000 1.416 310 T HN 0.371 nan 8.240 nan 0.000 0.514 311 T N 0.962 115.429 114.554 -0.146 0.000 2.699 311 T HA -0.107 4.243 4.350 0.000 0.000 0.268 311 T C 1.769 176.444 174.700 -0.043 0.000 1.036 311 T CA 1.835 63.897 62.100 -0.062 0.000 1.147 311 T CB -0.465 68.396 68.868 -0.012 0.000 0.862 311 T HN 0.538 nan 8.240 nan 0.000 0.446 312 K N 0.403 120.782 120.400 -0.035 0.000 1.984 312 K HA 0.224 4.544 4.320 0.000 0.000 0.209 312 K C 1.032 177.632 176.600 0.001 0.000 1.046 312 K CA 0.866 57.154 56.287 0.003 0.000 0.934 312 K CB -0.140 32.380 32.500 0.032 0.000 0.717 312 K HN 0.456 nan 8.250 nan 0.000 0.438 313 G N 0.259 109.029 108.800 -0.050 0.000 3.305 313 G HA2 0.061 4.021 3.960 0.000 0.000 0.649 313 G HA3 0.061 4.021 3.960 0.000 0.000 0.649 313 G C -0.612 174.342 174.900 0.090 0.000 1.255 313 G CA -0.944 44.107 45.100 -0.081 0.000 1.137 313 G HN 0.224 nan 8.290 nan 0.000 0.535 314 F N -2.146 117.777 119.950 -0.044 0.000 2.576 314 F HA 0.011 4.538 4.527 0.000 0.000 0.316 314 F C 1.070 176.856 175.800 -0.022 0.000 1.063 314 F CA 1.541 59.522 58.000 -0.033 0.000 1.093 314 F CB -1.461 37.528 39.000 -0.018 0.000 1.399 314 F HN 1.743 nan 8.300 nan 0.000 0.819 315 A N 0.812 123.668 122.820 0.061 0.000 2.483 315 A HA 0.962 5.282 4.320 0.000 0.000 0.286 315 A C -0.142 177.500 177.584 0.097 0.000 1.207 315 A CA -0.076 52.010 52.037 0.082 0.000 0.764 315 A CB 1.739 20.787 19.000 0.080 0.000 1.341 315 A HN 0.984 nan 8.150 nan 0.000 0.428 316 S N -0.340 115.448 115.700 0.148 0.000 2.526 316 S HA 0.757 5.227 4.470 0.000 0.000 0.293 316 S C -0.066 174.668 174.600 0.223 0.000 1.092 316 S CA -0.043 58.252 58.200 0.159 0.000 0.980 316 S CB 1.425 64.678 63.200 0.088 0.000 1.048 316 S HN 2.015 nan 8.310 nan 0.000 0.483 317 A N 2.657 125.609 122.820 0.220 0.000 2.445 317 A HA 0.538 4.858 4.320 0.000 0.000 0.242 317 A C -0.057 177.506 177.584 -0.035 0.000 1.075 317 A CA -0.496 51.560 52.037 0.031 0.000 0.777 317 A CB -0.250 18.753 19.000 0.005 0.000 1.013 317 A HN 0.904 nan 8.150 nan 0.000 0.493 318 L N 3.363 124.516 121.223 -0.116 0.000 2.272 318 L HA 0.493 4.833 4.340 0.000 0.000 0.284 318 L C -0.513 176.315 176.870 -0.069 0.000 1.045 318 L CA -0.533 54.265 54.840 -0.070 0.000 0.842 318 L CB 0.581 42.599 42.059 -0.068 0.000 1.224 318 L HN 0.610 nan 8.230 nan 0.000 0.430 319 V N 1.350 121.240 119.914 -0.041 0.000 2.971 319 V HA 0.672 4.792 4.120 0.000 0.000 0.309 319 V C -2.508 173.575 176.094 -0.018 0.000 1.130 319 V CA -2.061 60.221 62.300 -0.032 0.000 0.964 319 V CB 1.451 33.255 31.823 -0.031 0.000 1.029 319 V HN 0.387 nan 8.190 nan 0.000 0.427 320 P HA 0.307 nan 4.420 nan 0.000 0.271 320 P C 0.345 177.638 177.300 -0.012 0.000 1.238 320 P CA -0.220 62.871 63.100 -0.014 0.000 0.794 320 P CB 0.609 32.304 31.700 -0.008 0.000 0.959 321 K N -0.607 119.784 120.400 -0.014 0.000 2.166 321 K HA 0.146 4.466 4.320 0.000 0.000 0.201 321 K C -0.057 176.507 176.600 -0.061 0.000 1.052 321 K CA 0.722 57.009 56.287 -0.001 0.000 0.969 321 K CB 0.245 32.760 32.500 0.024 0.000 0.761 321 K HN 0.144 nan 8.250 nan 0.000 0.459 322 V N 2.265 122.105 119.914 -0.124 0.000 2.638 322 V HA 0.312 4.432 4.120 0.000 0.000 0.306 322 V C -0.670 175.331 176.094 -0.154 0.000 1.052 322 V CA -1.030 61.102 62.300 -0.281 0.000 0.885 322 V CB 1.772 33.340 31.823 -0.426 0.000 0.999 322 V HN 0.018 nan 8.190 nan 0.000 0.424 323 V N 0.990 120.815 119.914 -0.149 0.000 2.876 323 V HA 0.903 5.024 4.120 0.000 0.000 0.312 323 V C -0.491 175.566 176.094 -0.062 0.000 1.085 323 V CA -0.478 61.784 62.300 -0.065 0.000 0.945 323 V CB 2.045 33.852 31.823 -0.027 0.000 1.017 323 V HN 0.845 nan 8.190 nan 0.000 0.428 324 T N 2.794 117.333 114.554 -0.026 0.000 2.824 324 T HA 0.525 4.875 4.350 0.000 0.000 0.282 324 T C -0.867 173.835 174.700 0.004 0.000 0.993 324 T CA -0.311 61.778 62.100 -0.018 0.000 0.967 324 T CB 1.540 70.397 68.868 -0.019 0.000 0.960 324 T HN 1.096 nan 8.240 nan 0.000 0.441 325 Q N 3.566 123.371 119.800 0.008 0.000 2.337 325 Q HA 0.690 5.030 4.340 0.000 0.000 0.266 325 Q C -1.858 174.153 176.000 0.019 0.000 1.023 325 Q CA -0.782 55.036 55.803 0.024 0.000 0.829 325 Q CB 1.815 30.568 28.738 0.025 0.000 1.306 325 Q HN 0.533 nan 8.270 nan 0.000 0.449 326 V N 4.522 124.451 119.914 0.025 0.000 2.419 326 V HA 0.484 4.604 4.120 0.000 0.000 0.287 326 V C 0.746 176.854 176.094 0.024 0.000 1.017 326 V CA 0.350 62.660 62.300 0.016 0.000 0.844 326 V CB 0.576 32.402 31.823 0.005 0.000 1.011 326 V HN 1.138 nan 8.190 nan 0.000 0.429 327 G N 5.311 114.125 108.800 0.024 0.000 2.846 327 G HA2 -0.338 3.622 3.960 0.000 0.000 0.317 327 G HA3 -0.338 3.622 3.960 0.000 0.000 0.317 327 G C 0.929 175.860 174.900 0.051 0.000 1.210 327 G CA 1.074 46.191 45.100 0.029 0.000 0.972 327 G HN 1.658 nan 8.290 nan 0.000 0.567 328 S N -0.569 115.169 115.700 0.064 0.000 2.663 328 S HA 0.615 5.085 4.470 0.000 0.000 0.243 328 S C -0.040 174.648 174.600 0.147 0.000 1.009 328 S CA 0.603 58.876 58.200 0.122 0.000 0.988 328 S CB 0.963 64.226 63.200 0.104 0.000 0.896 328 S HN 1.166 nan 8.310 nan 0.000 0.502 329 V N 2.757 122.727 119.914 0.093 0.000 2.334 329 V HA 0.523 4.643 4.120 0.000 0.000 0.281 329 V C -0.491 175.664 176.094 0.102 0.000 1.016 329 V CA -0.576 61.756 62.300 0.055 0.000 0.832 329 V CB 1.031 32.853 31.823 -0.000 0.000 0.999 329 V HN 0.497 nan 8.190 nan 0.000 0.439 330 I N 4.880 125.553 120.570 0.172 0.000 2.389 330 I HA 0.590 4.760 4.170 0.000 0.000 0.288 330 I C -0.147 176.039 176.117 0.115 0.000 0.999 330 I CA -0.318 61.084 61.300 0.170 0.000 1.129 330 I CB 1.826 39.983 38.000 0.261 0.000 1.288 330 I HN 0.608 nan 8.210 nan 0.000 0.444 331 E N 4.077 124.316 120.200 0.066 0.000 2.408 331 E HA 0.287 4.637 4.350 0.000 0.000 0.275 331 E C -1.253 175.381 176.600 0.057 0.000 0.935 331 E CA -0.945 55.489 56.400 0.056 0.000 0.775 331 E CB 2.734 32.449 29.700 0.025 0.000 1.277 331 E HN 0.512 nan 8.360 nan 0.000 0.455 332 E N 1.599 121.854 120.200 0.092 0.000 2.360 332 E HA 0.166 4.516 4.350 0.000 0.000 0.269 332 E C -1.226 175.449 176.600 0.125 0.000 1.022 332 E CA -0.423 56.037 56.400 0.100 0.000 0.887 332 E CB 0.631 30.409 29.700 0.129 0.000 0.990 332 E HN 0.188 nan 8.360 nan 0.000 0.426 333 L N 4.816 126.079 121.223 0.066 0.000 2.282 333 L HA 0.279 4.619 4.340 0.000 0.000 0.288 333 L C -0.858 176.081 176.870 0.115 0.000 1.033 333 L CA -0.405 54.473 54.840 0.064 0.000 0.807 333 L CB 1.541 43.591 42.059 -0.015 0.000 1.209 333 L HN 0.460 nan 8.230 nan 0.000 0.423 334 D N 2.488 123.012 120.400 0.207 0.000 2.352 334 D HA 0.107 4.747 4.640 0.000 0.000 0.245 334 D C 0.697 177.128 176.300 0.220 0.000 1.224 334 D CA 0.098 54.256 54.000 0.263 0.000 0.879 334 D CB 1.006 42.082 40.800 0.459 0.000 1.057 334 D HN 0.680 nan 8.370 nan 0.000 0.491 335 T N -0.230 114.401 114.554 0.129 0.000 3.324 335 T HA 0.001 4.351 4.350 0.000 0.000 0.250 335 T C 1.490 176.245 174.700 0.091 0.000 1.059 335 T CA 0.192 62.364 62.100 0.119 0.000 0.951 335 T CB -0.276 68.653 68.868 0.102 0.000 1.030 335 T HN 0.208 nan 8.240 nan 0.000 0.576 336 S N 0.262 115.975 115.700 0.022 0.000 2.436 336 S HA 0.003 4.473 4.470 0.000 0.000 0.228 336 S C 1.175 175.648 174.600 -0.212 0.000 1.014 336 S CA -0.112 57.991 58.200 -0.162 0.000 0.950 336 S CB -0.779 62.211 63.200 -0.350 0.000 0.784 336 S HN 0.655 nan 8.310 nan 0.000 0.504 337 Y N 1.107 121.456 120.300 0.081 0.000 2.461 337 Y HA 0.441 4.991 4.550 0.000 0.000 0.277 337 Y C 0.677 176.654 175.900 0.128 0.000 1.182 337 Y CA -1.027 57.123 58.100 0.083 0.000 1.276 337 Y CB -0.284 38.209 38.460 0.054 0.000 1.087 337 Y HN 0.290 nan 8.280 nan 0.000 0.519 338 c N 0.389 119.135 118.600 0.244 0.000 2.634 338 c HA 0.609 5.179 4.570 0.000 0.000 0.313 338 c C -0.177 174.029 174.090 0.192 0.000 1.198 338 c CA -1.233 55.245 56.329 0.249 0.000 1.605 338 c CB 1.123 43.757 42.510 0.206 0.000 2.196 338 c HN 0.044 nan 8.230 nan 0.000 0.486 339 I N 2.676 123.364 120.570 0.197 0.000 2.321 339 I HA 0.289 4.459 4.170 0.000 0.000 0.291 339 I C 0.488 176.670 176.117 0.109 0.000 0.998 339 I CA 0.227 61.603 61.300 0.127 0.000 1.227 339 I CB 0.777 38.823 38.000 0.076 0.000 1.368 339 I HN 0.734 nan 8.210 nan 0.000 0.466 340 E N 4.870 125.120 120.200 0.083 0.000 2.248 340 E HA 0.749 5.099 4.350 0.000 0.000 0.272 340 E C -0.813 175.799 176.600 0.021 0.000 1.008 340 E CA -0.688 55.744 56.400 0.053 0.000 0.856 340 E CB 1.485 31.232 29.700 0.077 0.000 1.120 340 E HN 0.517 nan 8.360 nan 0.000 0.397 341 T N 0.558 115.103 114.554 -0.015 0.000 2.573 341 T HA 0.085 4.435 4.350 0.000 0.000 0.259 341 T C 0.160 174.833 174.700 -0.045 0.000 0.886 341 T CA -0.459 61.634 62.100 -0.011 0.000 1.110 341 T CB 0.458 69.340 68.868 0.024 0.000 1.421 341 T HN 0.600 nan 8.240 nan 0.000 0.523 342 D N -0.150 120.231 120.400 -0.032 0.000 2.249 342 D HA 0.156 4.796 4.640 0.000 0.000 0.205 342 D C 1.005 177.281 176.300 -0.040 0.000 0.962 342 D CA 0.842 54.817 54.000 -0.041 0.000 0.860 342 D CB -0.049 40.737 40.800 -0.022 0.000 0.955 342 D HN 0.456 nan 8.370 nan 0.000 0.505 343 L N -1.001 120.201 121.223 -0.036 0.000 3.826 343 L HA 0.405 4.745 4.340 0.000 0.000 0.362 343 L C -0.402 176.429 176.870 -0.065 0.000 1.235 343 L CA -0.314 54.507 54.840 -0.032 0.000 1.207 343 L CB 0.315 42.364 42.059 -0.016 0.000 1.518 343 L HN -0.204 nan 8.230 nan 0.000 0.628 344 D N 0.182 120.510 120.400 -0.120 0.000 2.990 344 D HA 0.694 5.334 4.640 0.000 0.000 0.227 344 D C -1.718 174.345 176.300 -0.394 0.000 1.249 344 D CA -0.297 53.528 54.000 -0.292 0.000 0.891 344 D CB 2.943 43.501 40.800 -0.403 0.000 1.647 344 D HN 0.086 nan 8.370 nan 0.000 0.530 345 L N 2.618 123.613 121.223 -0.379 0.000 2.294 345 L HA 0.331 4.671 4.340 0.000 0.000 0.283 345 L C -0.963 175.728 176.870 -0.299 0.000 1.015 345 L CA -0.563 54.134 54.840 -0.239 0.000 0.831 345 L CB 0.576 42.621 42.059 -0.024 0.000 1.217 345 L HN 0.234 nan 8.230 nan 0.000 0.420 346 Y N 2.203 122.538 120.300 0.057 0.000 2.404 346 Y HA 0.442 4.992 4.550 0.000 0.000 0.344 346 Y C 0.249 176.336 175.900 0.311 0.000 0.970 346 Y CA -0.563 57.596 58.100 0.099 0.000 1.180 346 Y CB 0.885 39.239 38.460 -0.177 0.000 1.138 346 Y HN 0.450 nan 8.280 nan 0.000 0.510 347 c N 1.575 120.476 118.600 0.503 0.000 2.411 347 c HA 0.288 4.858 4.570 0.000 0.000 0.330 347 c C 1.614 175.834 174.090 0.216 0.000 1.224 347 c CA -0.557 56.004 56.329 0.388 0.000 1.770 347 c CB 1.542 44.173 42.510 0.203 0.000 2.297 347 c HN 0.921 nan 8.230 nan 0.000 0.507 348 T N 0.769 115.372 114.554 0.083 0.000 3.023 348 T HA 0.005 4.355 4.350 0.000 0.000 0.266 348 T C 0.725 175.361 174.700 -0.106 0.000 1.093 348 T CA 1.164 63.145 62.100 -0.198 0.000 1.129 348 T CB -0.059 68.759 68.868 -0.083 0.000 0.899 348 T HN 0.755 nan 8.240 nan 0.000 0.491 349 R N -0.390 120.088 120.500 -0.038 0.000 2.712 349 R HA 0.475 4.815 4.340 0.000 0.000 0.272 349 R C -2.250 173.973 176.300 -0.128 0.000 1.032 349 R CA -0.665 55.349 56.100 -0.144 0.000 0.874 349 R CB 0.853 30.968 30.300 -0.308 0.000 1.256 349 R HN 0.081 nan 8.270 nan 0.000 0.468 350 I N 2.870 123.337 120.570 -0.171 0.000 2.410 350 I HA 0.345 4.515 4.170 0.000 0.000 0.286 350 I C -0.812 175.184 176.117 -0.203 0.000 1.009 350 I CA -0.974 60.250 61.300 -0.127 0.000 1.111 350 I CB 2.089 40.044 38.000 -0.076 0.000 1.262 350 I HN 0.196 nan 8.210 nan 0.000 0.443 351 V N 5.121 124.928 119.914 -0.179 0.000 2.376 351 V HA 0.390 4.510 4.120 0.000 0.000 0.287 351 V C 0.239 176.201 176.094 -0.219 0.000 1.015 351 V CA -0.462 61.692 62.300 -0.244 0.000 0.834 351 V CB 1.725 33.428 31.823 -0.201 0.000 1.001 351 V HN 0.838 nan 8.190 nan 0.000 0.428 352 T N 1.530 115.888 114.554 -0.326 0.000 2.925 352 T HA 0.830 5.180 4.350 0.000 0.000 0.285 352 T C -0.886 173.531 174.700 -0.471 0.000 1.021 352 T CA -0.544 61.415 62.100 -0.235 0.000 1.042 352 T CB 1.732 70.530 68.868 -0.117 0.000 1.037 352 T HN 0.150 nan 8.240 nan 0.000 0.481 353 F N 1.021 120.970 119.950 -0.002 0.000 2.551 353 F HA 0.550 5.077 4.527 0.000 0.000 0.316 353 F C -2.480 173.316 175.800 -0.006 0.000 1.089 353 F CA -2.640 55.359 58.000 -0.002 0.000 0.915 353 F CB 2.129 41.132 39.000 0.005 0.000 1.186 353 F HN 0.375 nan 8.300 nan 0.000 0.456 354 P HA 0.228 nan 4.420 nan 0.000 0.271 354 P C -0.827 176.526 177.300 0.088 0.000 1.216 354 P CA -0.260 62.890 63.100 0.083 0.000 0.771 354 P CB 0.510 32.240 31.700 0.051 0.000 0.864 355 M N 0.140 119.778 119.600 0.063 0.000 2.578 355 M HA 0.541 5.021 4.480 0.000 0.000 0.321 355 M C 0.198 176.523 176.300 0.041 0.000 1.182 355 M CA -0.899 54.434 55.300 0.055 0.000 0.965 355 M CB 1.709 34.347 32.600 0.064 0.000 1.694 355 M HN 0.078 nan 8.290 nan 0.000 0.461 356 S N 1.160 116.878 115.700 0.031 0.000 2.558 356 S HA 0.111 4.581 4.470 0.000 0.000 0.291 356 S C -1.710 172.915 174.600 0.042 0.000 1.306 356 S CA -0.711 57.503 58.200 0.024 0.000 1.056 356 S CB 0.283 63.489 63.200 0.011 0.000 0.836 356 S HN 0.635 nan 8.310 nan 0.000 0.504 357 P HA -0.006 nan 4.420 nan 0.000 0.218 357 P C 1.404 178.752 177.300 0.079 0.000 1.148 357 P CA 1.251 64.384 63.100 0.055 0.000 0.822 357 P CB -0.235 31.480 31.700 0.025 0.000 0.784 358 G N -0.716 108.108 108.800 0.041 0.000 2.471 358 G HA2 -0.163 3.797 3.960 0.000 0.000 0.219 358 G HA3 -0.163 3.797 3.960 0.000 0.000 0.219 358 G C 1.309 176.214 174.900 0.010 0.000 1.125 358 G CA 0.321 45.432 45.100 0.020 0.000 0.775 358 G HN 0.154 nan 8.290 nan 0.000 0.548 359 I N -0.403 120.184 120.570 0.029 0.000 2.296 359 I HA -0.002 4.168 4.170 0.000 0.000 0.242 359 I C 2.321 178.465 176.117 0.044 0.000 1.087 359 I CA 0.473 61.782 61.300 0.016 0.000 1.393 359 I CB -1.409 36.605 38.000 0.023 0.000 1.093 359 I HN 0.260 nan 8.210 nan 0.000 0.421 360 Y N 1.784 122.071 120.300 -0.021 0.000 2.151 360 Y HA -0.316 4.234 4.550 0.000 0.000 0.284 360 Y C 3.063 178.954 175.900 -0.015 0.000 1.166 360 Y CA 2.233 60.324 58.100 -0.015 0.000 1.163 360 Y CB -0.320 38.134 38.460 -0.010 0.000 0.974 360 Y HN 0.110 nan 8.280 nan 0.000 0.511 361 S N -1.075 114.662 115.700 0.062 0.000 2.383 361 S HA -0.277 4.193 4.470 0.000 0.000 0.229 361 S C 2.334 176.870 174.600 -0.106 0.000 1.030 361 S CA 1.514 59.701 58.200 -0.022 0.000 1.002 361 S CB -1.254 61.977 63.200 0.051 0.000 0.829 361 S HN 0.746 nan 8.310 nan 0.000 0.467 362 c N 1.090 119.639 118.600 -0.085 0.000 2.476 362 c HA 0.171 4.741 4.570 0.000 0.000 0.278 362 c C 2.428 176.450 174.090 -0.113 0.000 1.274 362 c CA 0.635 56.913 56.329 -0.085 0.000 1.713 362 c CB -1.641 40.823 42.510 -0.078 0.000 2.039 362 c HN 0.681 nan 8.230 nan 0.000 0.484 363 L N 1.098 122.233 121.223 -0.146 0.000 2.353 363 L HA -0.087 4.253 4.340 0.000 0.000 0.220 363 L C 2.138 178.894 176.870 -0.190 0.000 1.133 363 L CA 1.388 56.140 54.840 -0.146 0.000 0.798 363 L CB -0.886 41.093 42.059 -0.132 0.000 0.922 363 L HN 0.549 nan 8.230 nan 0.000 0.445 364 N N -0.796 117.742 118.700 -0.270 0.000 2.416 364 N HA -0.007 4.733 4.740 0.000 0.000 0.177 364 N C 1.409 176.841 175.510 -0.131 0.000 1.036 364 N CA 0.674 53.578 53.050 -0.243 0.000 0.901 364 N CB 0.482 38.762 38.487 -0.345 0.000 0.976 364 N HN 0.414 nan 8.380 nan 0.000 0.444 365 G N 0.505 109.243 108.800 -0.104 0.000 3.302 365 G HA2 -0.198 3.763 3.960 0.000 0.000 0.216 365 G HA3 -0.198 3.763 3.960 0.000 0.000 0.216 365 G C -0.148 174.728 174.900 -0.040 0.000 1.008 365 G CA -0.644 44.421 45.100 -0.058 0.000 0.852 365 G HN 0.168 nan 8.290 nan 0.000 0.485 366 N N 2.392 121.064 118.700 -0.047 0.000 2.744 366 N HA 0.256 4.996 4.740 0.000 0.000 0.290 366 N C 1.507 177.007 175.510 -0.017 0.000 1.206 366 N CA 0.922 53.958 53.050 -0.023 0.000 1.119 366 N CB 0.155 38.630 38.487 -0.019 0.000 1.449 366 N HN 0.196 nan 8.380 nan 0.000 0.514 367 T N -0.170 114.383 114.554 -0.002 0.000 2.897 367 T HA -0.101 4.249 4.350 0.000 0.000 0.271 367 T C 1.430 176.151 174.700 0.036 0.000 1.084 367 T CA 1.201 63.310 62.100 0.015 0.000 1.123 367 T CB -0.012 68.878 68.868 0.037 0.000 0.865 367 T HN 0.401 nan 8.240 nan 0.000 0.496 368 S N 0.806 116.528 115.700 0.037 0.000 2.603 368 S HA 0.228 4.698 4.470 0.000 0.000 0.229 368 S C 2.027 176.646 174.600 0.032 0.000 0.972 368 S CA 0.425 58.656 58.200 0.052 0.000 0.935 368 S CB -0.138 63.088 63.200 0.043 0.000 0.769 368 S HN 0.591 nan 8.310 nan 0.000 0.536 369 A N -0.307 122.514 122.820 0.002 0.000 2.197 369 A HA 0.251 4.571 4.320 0.000 0.000 0.210 369 A C 0.913 178.460 177.584 -0.062 0.000 1.180 369 A CA -0.158 51.870 52.037 -0.015 0.000 0.846 369 A CB -0.157 18.837 19.000 -0.010 0.000 0.884 369 A HN 0.485 nan 8.150 nan 0.000 0.487 370 c N 1.474 120.003 118.600 -0.119 0.000 2.653 370 c HA 0.436 5.006 4.570 0.000 0.000 0.421 370 c C 0.628 174.462 174.090 -0.426 0.000 1.334 370 c CA 0.002 56.170 56.329 -0.269 0.000 1.885 370 c CB -0.850 41.453 42.510 -0.345 0.000 2.645 370 c HN 0.575 nan 8.230 nan 0.000 0.601 371 M N 3.215 122.589 119.600 -0.378 0.000 2.367 371 M HA 0.461 4.941 4.480 0.000 0.000 0.339 371 M C -0.933 175.092 176.300 -0.458 0.000 1.177 371 M CA -0.008 55.112 55.300 -0.300 0.000 1.068 371 M CB 0.900 33.432 32.600 -0.113 0.000 1.602 371 M HN 0.598 nan 8.290 nan 0.000 0.457 372 Y N -0.314 119.988 120.300 0.004 0.000 2.587 372 Y HA 0.745 5.295 4.550 0.000 0.000 0.337 372 Y C 0.179 176.085 175.900 0.009 0.000 1.065 372 Y CA -0.747 57.356 58.100 0.005 0.000 1.126 372 Y CB 2.004 40.464 38.460 0.001 0.000 1.279 372 Y HN 0.723 nan 8.280 nan 0.000 0.489 373 S N -1.396 114.412 115.700 0.180 0.000 2.565 373 S HA 0.630 5.100 4.470 0.000 0.000 0.269 373 S C -0.630 174.026 174.600 0.094 0.000 1.153 373 S CA -0.840 57.423 58.200 0.105 0.000 0.835 373 S CB 1.281 64.517 63.200 0.061 0.000 1.122 373 S HN 0.804 nan 8.310 nan 0.000 0.462 374 K N 0.023 120.466 120.400 0.073 0.000 2.708 374 K HA 0.440 4.760 4.320 0.000 0.000 0.219 374 K C 0.415 177.042 176.600 0.045 0.000 1.068 374 K CA -0.040 56.286 56.287 0.066 0.000 1.212 374 K CB -1.120 31.418 32.500 0.063 0.000 0.978 374 K HN 0.714 nan 8.250 nan 0.000 0.475 375 T N 3.497 118.075 114.554 0.041 0.000 3.462 375 T HA 0.192 4.542 4.350 0.000 0.000 0.257 375 T C -0.281 174.432 174.700 0.021 0.000 1.015 375 T CA 0.166 62.281 62.100 0.026 0.000 1.135 375 T CB -0.954 67.926 68.868 0.020 0.000 1.061 375 T HN 0.773 nan 8.240 nan 0.000 0.772 376 E N 0.614 120.824 120.200 0.016 0.000 2.392 376 E HA 0.569 4.919 4.350 0.000 0.000 0.281 376 E C -0.484 176.115 176.600 -0.001 0.000 1.088 376 E CA -1.439 54.966 56.400 0.009 0.000 0.850 376 E CB 0.683 30.394 29.700 0.019 0.000 1.267 376 E HN 0.347 nan 8.360 nan 0.000 0.438 377 G N -0.256 108.538 108.800 -0.010 0.000 2.705 377 G HA2 0.565 4.525 3.960 0.000 0.000 0.299 377 G HA3 0.565 4.525 3.960 0.000 0.000 0.299 377 G C 0.355 175.240 174.900 -0.025 0.000 1.315 377 G CA -0.361 44.728 45.100 -0.017 0.000 1.045 377 G HN 0.580 nan 8.290 nan 0.000 0.517 378 A N -1.053 121.749 122.820 -0.030 0.000 2.123 378 A HA 0.264 4.584 4.320 0.000 0.000 0.214 378 A C 1.892 179.455 177.584 -0.034 0.000 1.152 378 A CA 0.454 52.468 52.037 -0.038 0.000 0.728 378 A CB -0.216 18.760 19.000 -0.039 0.000 0.814 378 A HN 0.387 nan 8.150 nan 0.000 0.464 379 L N -0.230 120.974 121.223 -0.031 0.000 2.592 379 L HA 0.080 4.420 4.340 0.000 0.000 0.227 379 L C 1.108 177.951 176.870 -0.046 0.000 1.127 379 L CA -0.063 54.758 54.840 -0.032 0.000 0.884 379 L CB -0.173 41.871 42.059 -0.026 0.000 1.065 379 L HN 0.246 nan 8.230 nan 0.000 0.457 380 T N 0.032 114.557 114.554 -0.048 0.000 2.919 380 T HA 0.022 4.372 4.350 0.000 0.000 0.302 380 T C 0.355 174.994 174.700 -0.101 0.000 1.031 380 T CA 0.180 62.239 62.100 -0.067 0.000 1.127 380 T CB 0.908 69.748 68.868 -0.047 0.000 0.952 380 T HN 0.051 nan 8.240 nan 0.000 0.540 381 T N 5.136 119.581 114.554 -0.181 0.000 2.897 381 T HA 0.431 4.781 4.350 0.000 0.000 0.294 381 T C -1.826 172.717 174.700 -0.261 0.000 1.004 381 T CA -1.692 60.209 62.100 -0.332 0.000 1.106 381 T CB 0.797 69.247 68.868 -0.696 0.000 0.949 381 T HN 0.472 nan 8.240 nan 0.000 0.520 382 P HA 0.221 nan 4.420 nan 0.000 0.256 382 P C -1.035 176.320 177.300 0.091 0.000 1.384 382 P CA 0.061 63.163 63.100 0.004 0.000 0.879 382 P CB -0.426 31.331 31.700 0.094 0.000 1.403 383 Y N -1.626 118.684 120.300 0.017 0.000 2.896 383 Y HA 0.785 5.335 4.550 0.000 0.000 0.317 383 Y C -0.645 175.263 175.900 0.014 0.000 1.444 383 Y CA -1.886 56.223 58.100 0.015 0.000 1.084 383 Y CB 0.810 39.278 38.460 0.012 0.000 1.382 383 Y HN -0.163 nan 8.280 nan 0.000 0.471 384 M N -0.747 119.047 119.600 0.324 0.000 2.895 384 M HA 0.657 5.137 4.480 0.000 0.000 0.271 384 M C -1.997 174.418 176.300 0.191 0.000 1.174 384 M CA -0.716 54.698 55.300 0.191 0.000 0.816 384 M CB 2.138 34.782 32.600 0.073 0.000 1.647 384 M HN 0.564 nan 8.290 nan 0.000 0.506 385 T N 1.637 116.265 114.554 0.123 0.000 2.824 385 T HA 0.840 5.190 4.350 0.000 0.000 0.280 385 T C -0.723 174.007 174.700 0.050 0.000 0.995 385 T CA -0.398 61.752 62.100 0.083 0.000 1.009 385 T CB 1.352 70.262 68.868 0.070 0.000 0.955 385 T HN 1.064 nan 8.240 nan 0.000 0.452 386 L N 3.059 124.306 121.223 0.039 0.000 2.555 386 L HA 0.716 5.056 4.340 0.000 0.000 0.264 386 L C 0.331 177.213 176.870 0.020 0.000 0.972 386 L CA -1.343 53.512 54.840 0.025 0.000 0.876 386 L CB 0.220 42.297 42.059 0.029 0.000 1.216 386 L HN 0.811 nan 8.230 nan 0.000 0.415 387 K N 2.678 123.085 120.400 0.011 0.000 3.150 387 K HA -0.152 4.168 4.320 0.000 0.000 0.267 387 K C 1.141 177.751 176.600 0.017 0.000 1.028 387 K CA 1.019 57.312 56.287 0.010 0.000 0.753 387 K CB -1.556 30.951 32.500 0.013 0.000 1.288 387 K HN 2.599 nan 8.250 nan 0.000 0.473 388 G N -0.903 107.906 108.800 0.016 0.000 2.155 388 G HA2 -0.346 3.614 3.960 0.000 0.000 0.257 388 G HA3 -0.346 3.614 3.960 0.000 0.000 0.257 388 G C 0.020 174.929 174.900 0.016 0.000 0.983 388 G CA 0.528 45.638 45.100 0.016 0.000 0.676 388 G HN 0.472 nan 8.290 nan 0.000 0.528 389 S N -1.905 113.808 115.700 0.022 0.000 2.677 389 S HA 0.771 5.241 4.470 0.000 0.000 0.304 389 S C -0.470 174.144 174.600 0.024 0.000 1.108 389 S CA -0.066 58.147 58.200 0.022 0.000 0.944 389 S CB 2.705 65.924 63.200 0.031 0.000 1.127 389 S HN 1.250 nan 8.310 nan 0.000 0.511 390 V N 2.507 122.430 119.914 0.016 0.000 2.409 390 V HA 0.543 4.663 4.120 0.000 0.000 0.290 390 V C -1.418 174.698 176.094 0.036 0.000 1.017 390 V CA -0.678 61.635 62.300 0.021 0.000 0.841 390 V CB 0.495 32.289 31.823 -0.048 0.000 1.003 390 V HN 0.779 nan 8.190 nan 0.000 0.426 391 I N 7.475 128.088 120.570 0.070 0.000 2.291 391 I HA 0.714 4.884 4.170 0.000 0.000 0.290 391 I C 0.456 176.636 176.117 0.106 0.000 1.050 391 I CA 0.001 61.341 61.300 0.068 0.000 1.245 391 I CB 1.112 39.148 38.000 0.059 0.000 1.405 391 I HN 0.728 nan 8.210 nan 0.000 0.478 392 A N 5.130 128.002 122.820 0.086 0.000 2.413 392 A HA 0.554 4.874 4.320 0.000 0.000 0.307 392 A C -0.592 177.035 177.584 0.073 0.000 1.087 392 A CA -0.727 51.382 52.037 0.121 0.000 0.750 392 A CB 1.461 20.529 19.000 0.114 0.000 1.296 392 A HN 0.603 nan 8.150 nan 0.000 0.423 393 N N 1.095 119.843 118.700 0.079 0.000 2.482 393 N HA 0.141 4.881 4.740 0.000 0.000 0.242 393 N C 0.178 175.715 175.510 0.045 0.000 1.100 393 N CA -0.355 52.722 53.050 0.045 0.000 0.946 393 N CB 0.014 38.526 38.487 0.042 0.000 1.227 393 N HN 0.460 nan 8.380 nan 0.000 0.508 394 c N 2.787 121.403 118.600 0.027 0.000 2.536 394 c HA 0.153 4.723 4.570 0.000 0.000 0.285 394 c C 1.736 175.841 174.090 0.024 0.000 1.371 394 c CA 0.020 56.364 56.329 0.025 0.000 1.675 394 c CB -1.054 41.465 42.510 0.014 0.000 1.689 394 c HN 0.671 nan 8.230 nan 0.000 0.589 395 K N -0.336 120.077 120.400 0.022 0.000 2.360 395 K HA 0.212 4.532 4.320 0.000 0.000 0.196 395 K C 1.638 178.269 176.600 0.052 0.000 1.049 395 K CA 0.158 56.460 56.287 0.025 0.000 1.049 395 K CB 0.144 32.645 32.500 0.001 0.000 0.881 395 K HN 0.444 nan 8.250 nan 0.000 0.542 396 M N 0.512 120.152 119.600 0.066 0.000 2.337 396 M HA 0.099 4.579 4.480 0.000 0.000 0.256 396 M C -0.812 175.540 176.300 0.087 0.000 1.075 396 M CA 0.755 56.117 55.300 0.104 0.000 1.024 396 M CB 1.233 33.909 32.600 0.127 0.000 1.429 396 M HN -0.236 nan 8.290 nan 0.000 0.497 397 T N 0.461 115.058 114.554 0.071 0.000 3.172 397 T HA 0.205 4.555 4.350 0.000 0.000 0.320 397 T C -0.640 174.087 174.700 0.044 0.000 1.085 397 T CA -0.667 61.472 62.100 0.065 0.000 1.052 397 T CB 1.632 70.556 68.868 0.093 0.000 1.107 397 T HN 0.277 nan 8.240 nan 0.000 0.458 398 T N 0.370 114.944 114.554 0.034 0.000 2.750 398 T HA 0.231 4.581 4.350 0.000 0.000 0.286 398 T C 0.440 175.145 174.700 0.008 0.000 0.911 398 T CA -0.562 61.550 62.100 0.020 0.000 1.130 398 T CB -0.979 67.899 68.868 0.017 0.000 0.873 398 T HN 0.653 nan 8.240 nan 0.000 0.536 399 c N 6.085 124.687 118.600 0.003 0.000 2.252 399 c HA 0.351 4.921 4.570 0.000 0.000 0.342 399 c C 1.184 175.265 174.090 -0.015 0.000 1.110 399 c CA -0.966 55.355 56.329 -0.014 0.000 1.581 399 c CB -1.501 41.001 42.510 -0.013 0.000 2.087 399 c HN 0.791 nan 8.230 nan 0.000 0.500 400 R N 1.832 122.319 120.500 -0.020 0.000 2.196 400 R HA 0.261 4.601 4.340 0.000 0.000 0.340 400 R C -0.350 175.936 176.300 -0.022 0.000 1.043 400 R CA -0.181 55.908 56.100 -0.017 0.000 0.883 400 R CB 0.734 31.025 30.300 -0.014 0.000 1.078 400 R HN 0.713 nan 8.270 nan 0.000 0.462 401 c N 3.783 122.372 118.600 -0.017 0.000 2.464 401 c HA 0.334 4.904 4.570 0.000 0.000 0.370 401 c C 1.654 175.734 174.090 -0.017 0.000 1.267 401 c CA -0.256 56.061 56.329 -0.019 0.000 1.781 401 c CB -0.523 41.979 42.510 -0.014 0.000 2.431 401 c HN 0.966 nan 8.230 nan 0.000 0.556 402 A N 3.916 126.724 122.820 -0.020 0.000 1.832 402 A HA -0.034 4.286 4.320 0.000 0.000 0.214 402 A C 2.084 179.659 177.584 -0.016 0.000 1.242 402 A CA 1.705 53.731 52.037 -0.017 0.000 0.603 402 A CB -0.966 18.023 19.000 -0.018 0.000 0.902 402 A HN 0.856 nan 8.150 nan 0.000 0.455 403 D N 0.254 120.643 120.400 -0.019 0.000 2.127 403 D HA -0.089 4.551 4.640 0.000 0.000 0.190 403 D C -1.617 174.673 176.300 -0.017 0.000 1.000 403 D CA 1.432 55.420 54.000 -0.020 0.000 0.839 403 D CB -0.972 39.813 40.800 -0.025 0.000 0.955 403 D HN 0.313 nan 8.370 nan 0.000 0.446 404 P HA 0.357 nan 4.420 nan 0.000 0.253 404 P C -2.647 174.648 177.300 -0.009 0.000 1.667 404 P CA -1.660 61.433 63.100 -0.011 0.000 1.118 404 P CB 1.256 32.950 31.700 -0.010 0.000 1.595 405 P HA 0.297 nan 4.420 nan 0.000 0.266 405 P C 0.508 177.805 177.300 -0.005 0.000 1.186 405 P CA 1.023 64.119 63.100 -0.007 0.000 0.767 405 P CB 0.318 32.015 31.700 -0.006 0.000 0.820 406 G N 1.534 110.332 108.800 -0.004 0.000 2.335 406 G HA2 0.109 4.069 3.960 0.000 0.000 0.592 406 G HA3 0.109 4.069 3.960 0.000 0.000 0.592 406 G C -1.514 173.385 174.900 -0.002 0.000 1.442 406 G CA -0.980 44.119 45.100 -0.002 0.000 0.976 406 G HN 0.346 nan 8.290 nan 0.000 0.652 407 I N 1.038 121.609 120.570 0.001 0.000 2.472 407 I HA 0.455 4.625 4.170 0.000 0.000 0.290 407 I C 0.975 177.094 176.117 0.003 0.000 1.016 407 I CA -0.716 60.585 61.300 0.001 0.000 1.348 407 I CB 1.140 39.143 38.000 0.005 0.000 1.417 407 I HN 0.416 nan 8.210 nan 0.000 0.521 408 I N 4.822 125.393 120.570 0.001 0.000 2.437 408 I HA 0.427 4.597 4.170 0.000 0.000 0.298 408 I C 0.355 176.476 176.117 0.006 0.000 0.984 408 I CA -0.087 61.215 61.300 0.003 0.000 1.214 408 I CB 1.678 39.678 38.000 -0.001 0.000 1.365 408 I HN 0.751 nan 8.210 nan 0.000 0.469 409 S N 4.249 119.954 115.700 0.008 0.000 2.672 409 S HA 0.731 5.201 4.470 0.000 0.000 0.271 409 S C -1.143 173.463 174.600 0.009 0.000 1.171 409 S CA -0.815 57.391 58.200 0.009 0.000 0.817 409 S CB 2.439 65.647 63.200 0.014 0.000 1.150 409 S HN 0.535 nan 8.310 nan 0.000 0.478 410 Q N 0.627 120.431 119.800 0.008 0.000 2.418 410 Q HA 0.552 4.892 4.340 0.000 0.000 0.282 410 Q C -1.094 174.916 176.000 0.016 0.000 1.044 410 Q CA -0.466 55.341 55.803 0.007 0.000 0.813 410 Q CB 1.668 30.403 28.738 -0.004 0.000 1.428 410 Q HN 0.800 nan 8.270 nan 0.000 0.402 411 N N 0.888 119.604 118.700 0.026 0.000 2.329 411 N HA -0.114 4.626 4.740 0.000 0.000 0.237 411 N C 0.166 175.718 175.510 0.068 0.000 1.258 411 N CA 0.605 53.688 53.050 0.055 0.000 0.866 411 N CB 0.251 38.768 38.487 0.050 0.000 1.102 411 N HN 0.759 nan 8.380 nan 0.000 0.440 412 Y N 1.473 121.769 120.300 -0.007 0.000 2.315 412 Y HA -0.075 4.475 4.550 0.000 0.000 0.288 412 Y C 2.029 177.924 175.900 -0.008 0.000 1.154 412 Y CA 1.980 60.074 58.100 -0.010 0.000 1.229 412 Y CB -0.396 38.056 38.460 -0.014 0.000 0.980 412 Y HN 0.706 nan 8.280 nan 0.000 0.540 413 G N -0.216 108.662 108.800 0.131 0.000 2.485 413 G HA2 -0.218 3.742 3.960 0.000 0.000 0.221 413 G HA3 -0.218 3.742 3.960 0.000 0.000 0.221 413 G C 0.253 175.145 174.900 -0.013 0.000 1.115 413 G CA 0.712 45.855 45.100 0.072 0.000 0.751 413 G HN 0.472 nan 8.290 nan 0.000 0.567 414 E N -0.132 120.039 120.200 -0.047 0.000 2.145 414 E HA 0.529 4.879 4.350 0.000 0.000 0.262 414 E C 0.759 177.285 176.600 -0.124 0.000 0.883 414 E CA -0.366 55.995 56.400 -0.065 0.000 0.748 414 E CB 1.756 31.438 29.700 -0.030 0.000 1.140 414 E HN 0.094 nan 8.360 nan 0.000 0.417 415 A N 3.257 125.983 122.820 -0.157 0.000 2.067 415 A HA -0.007 4.314 4.320 0.000 0.000 0.219 415 A C 0.842 178.362 177.584 -0.107 0.000 1.158 415 A CA 0.736 52.656 52.037 -0.195 0.000 0.661 415 A CB 0.302 19.192 19.000 -0.183 0.000 0.801 415 A HN 0.342 nan 8.150 nan 0.000 0.452 416 V N -0.017 119.861 119.914 -0.060 0.000 2.656 416 V HA 0.414 4.534 4.120 0.000 0.000 0.307 416 V C -0.274 175.812 176.094 -0.012 0.000 1.051 416 V CA -0.715 61.572 62.300 -0.023 0.000 0.893 416 V CB 1.932 33.755 31.823 -0.001 0.000 0.999 416 V HN 0.195 nan 8.190 nan 0.000 0.426 417 S N 4.077 119.777 115.700 0.000 0.000 2.508 417 S HA 0.640 5.110 4.470 0.000 0.000 0.284 417 S C -0.569 174.039 174.600 0.013 0.000 1.192 417 S CA -0.379 57.824 58.200 0.004 0.000 1.070 417 S CB 1.348 64.551 63.200 0.005 0.000 1.004 417 S HN 0.578 nan 8.310 nan 0.000 0.493 418 L N 4.711 125.942 121.223 0.012 0.000 2.280 418 L HA 0.585 4.925 4.340 0.000 0.000 0.287 418 L C -1.198 175.683 176.870 0.018 0.000 1.023 418 L CA -0.210 54.641 54.840 0.018 0.000 0.819 418 L CB 0.146 42.215 42.059 0.017 0.000 1.212 418 L HN 0.592 nan 8.230 nan 0.000 0.420 419 I N 5.523 126.102 120.570 0.016 0.000 2.330 419 I HA 0.413 4.583 4.170 0.000 0.000 0.289 419 I C -0.642 175.487 176.117 0.019 0.000 1.001 419 I CA -0.542 60.765 61.300 0.013 0.000 1.193 419 I CB 1.229 39.225 38.000 -0.006 0.000 1.345 419 I HN 0.648 nan 8.210 nan 0.000 0.461 420 D N 4.885 125.307 120.400 0.037 0.000 2.784 420 D HA 0.419 5.059 4.640 0.000 0.000 0.256 420 D C 1.126 177.441 176.300 0.025 0.000 1.129 420 D CA -0.634 53.394 54.000 0.048 0.000 1.102 420 D CB 0.509 41.372 40.800 0.105 0.000 1.330 420 D HN 0.213 nan 8.370 nan 0.000 0.626 421 R N -0.911 119.584 120.500 -0.009 0.000 2.189 421 R HA -0.015 4.325 4.340 0.000 0.000 0.218 421 R C 1.916 178.128 176.300 -0.147 0.000 1.074 421 R CA 1.767 57.802 56.100 -0.107 0.000 0.991 421 R CB -1.900 28.287 30.300 -0.188 0.000 0.883 421 R HN 0.673 nan 8.270 nan 0.000 0.457 422 H N -0.169 118.895 119.070 -0.009 0.000 2.555 422 H HA 0.059 4.615 4.556 0.000 0.000 0.269 422 H C 1.731 177.053 175.328 -0.009 0.000 0.988 422 H CA 1.501 57.544 56.048 -0.009 0.000 1.178 422 H CB 0.659 30.417 29.762 -0.006 0.000 1.373 422 H HN 0.633 nan 8.280 nan 0.000 0.588 423 S N -2.393 113.354 115.700 0.077 0.000 2.684 423 S HA 0.202 4.672 4.470 0.000 0.000 0.268 423 S C 0.180 174.788 174.600 0.013 0.000 1.075 423 S CA -0.311 57.915 58.200 0.044 0.000 1.184 423 S CB 0.342 63.568 63.200 0.044 0.000 1.129 423 S HN 0.229 nan 8.310 nan 0.000 0.630 424 c N 0.768 119.368 118.600 -0.001 0.000 3.247 424 c HA 0.538 5.109 4.570 0.000 0.000 0.375 424 c C 0.047 174.120 174.090 -0.029 0.000 1.102 424 c CA -0.452 55.868 56.329 -0.015 0.000 1.227 424 c CB 0.649 43.150 42.510 -0.014 0.000 1.586 424 c HN 0.568 nan 8.230 nan 0.000 0.544 425 N N 1.181 119.861 118.700 -0.033 0.000 2.454 425 N HA 0.230 4.970 4.740 0.000 0.000 0.177 425 N C -0.647 174.842 175.510 -0.034 0.000 1.049 425 N CA 0.479 53.505 53.050 -0.040 0.000 0.887 425 N CB 0.743 39.202 38.487 -0.045 0.000 1.095 425 N HN 0.436 nan 8.380 nan 0.000 0.446 426 V N 2.108 122.004 119.914 -0.030 0.000 2.623 426 V HA 0.408 4.528 4.120 0.000 0.000 0.304 426 V C -1.209 174.865 176.094 -0.033 0.000 1.054 426 V CA -0.782 61.500 62.300 -0.029 0.000 0.882 426 V CB 2.265 34.074 31.823 -0.024 0.000 1.002 426 V HN 0.013 nan 8.190 nan 0.000 0.424 427 L N 4.530 125.727 121.223 -0.043 0.000 2.354 427 L HA 0.926 5.266 4.340 0.000 0.000 0.269 427 L C -0.030 176.800 176.870 -0.067 0.000 1.005 427 L CA 0.036 54.842 54.840 -0.056 0.000 0.819 427 L CB 2.571 44.586 42.059 -0.073 0.000 1.311 427 L HN 0.757 nan 8.230 nan 0.000 0.423 428 S N 4.285 119.947 115.700 -0.064 0.000 2.733 428 S HA 0.701 5.171 4.470 0.000 0.000 0.307 428 S C -0.514 174.043 174.600 -0.073 0.000 1.127 428 S CA -0.762 57.400 58.200 -0.063 0.000 1.097 428 S CB 0.391 63.570 63.200 -0.035 0.000 1.003 428 S HN 0.597 nan 8.310 nan 0.000 0.477 429 L N 1.137 122.291 121.223 -0.115 0.000 2.544 429 L HA 0.523 4.864 4.340 0.000 0.000 0.256 429 L C -0.107 176.751 176.870 -0.020 0.000 1.097 429 L CA -1.212 53.563 54.840 -0.107 0.000 0.812 429 L CB 0.378 42.260 42.059 -0.295 0.000 1.440 429 L HN 0.495 nan 8.230 nan 0.000 0.496 430 D N 0.946 121.373 120.400 0.044 0.000 2.385 430 D HA 0.309 4.949 4.640 0.000 0.000 0.260 430 D C 0.723 177.080 176.300 0.095 0.000 1.326 430 D CA 1.230 55.273 54.000 0.071 0.000 1.023 430 D CB 0.417 41.270 40.800 0.088 0.000 1.083 430 D HN 0.755 nan 8.370 nan 0.000 0.517 431 G N 0.602 109.436 108.800 0.058 0.000 2.905 431 G HA2 -0.149 3.812 3.960 0.000 0.000 0.199 431 G HA3 -0.149 3.812 3.960 0.000 0.000 0.199 431 G C 0.427 175.354 174.900 0.045 0.000 1.370 431 G CA -0.072 45.064 45.100 0.060 0.000 0.966 431 G HN 0.695 nan 8.290 nan 0.000 0.522 432 I N 0.681 121.276 120.570 0.042 0.000 3.023 432 I HA 0.942 5.113 4.170 0.000 0.000 0.312 432 I C 0.290 176.387 176.117 -0.033 0.000 1.056 432 I CA -0.153 61.156 61.300 0.014 0.000 1.033 432 I CB 1.826 39.851 38.000 0.042 0.000 1.233 432 I HN 0.430 nan 8.210 nan 0.000 0.462 433 T N 3.743 118.279 114.554 -0.030 0.000 3.009 433 T HA 0.669 5.019 4.350 0.000 0.000 0.346 433 T C -0.238 174.438 174.700 -0.041 0.000 1.092 433 T CA 0.147 62.222 62.100 -0.043 0.000 1.080 433 T CB 0.234 69.088 68.868 -0.024 0.000 1.037 433 T HN 1.561 nan 8.240 nan 0.000 0.487 434 L N 2.815 123.998 121.223 -0.067 0.000 2.375 434 L HA 0.797 5.137 4.340 0.000 0.000 0.271 434 L C 0.501 177.350 176.870 -0.036 0.000 1.107 434 L CA -0.924 53.887 54.840 -0.049 0.000 0.806 434 L CB -0.171 41.845 42.059 -0.072 0.000 1.146 434 L HN 0.783 nan 8.230 nan 0.000 0.447 435 R N 2.201 122.692 120.500 -0.015 0.000 2.239 435 R HA 0.594 4.934 4.340 0.000 0.000 0.332 435 R C -0.329 175.965 176.300 -0.008 0.000 0.988 435 R CA -0.592 55.503 56.100 -0.009 0.000 0.859 435 R CB 0.635 30.941 30.300 0.010 0.000 1.148 435 R HN 0.736 nan 8.270 nan 0.000 0.482 436 L N 2.172 123.383 121.223 -0.020 0.000 2.672 436 L HA 0.276 4.616 4.340 0.000 0.000 0.236 436 L C 0.031 176.884 176.870 -0.028 0.000 1.186 436 L CA 0.597 55.424 54.840 -0.021 0.000 0.977 436 L CB 0.102 42.146 42.059 -0.025 0.000 1.203 436 L HN 0.447 nan 8.230 nan 0.000 0.448 437 S N -1.157 114.527 115.700 -0.027 0.000 2.552 437 S HA 0.847 5.317 4.470 0.000 0.000 0.272 437 S C -0.816 173.755 174.600 -0.049 0.000 1.150 437 S CA -0.045 58.128 58.200 -0.046 0.000 0.849 437 S CB 1.616 64.776 63.200 -0.068 0.000 1.113 437 S HN 0.228 nan 8.310 nan 0.000 0.458 438 G N 1.645 110.396 108.800 -0.081 0.000 2.429 438 G HA2 0.470 4.430 3.960 0.000 0.000 0.300 438 G HA3 0.470 4.430 3.960 0.000 0.000 0.300 438 G C -2.220 172.538 174.900 -0.236 0.000 1.598 438 G CA -0.507 44.492 45.100 -0.168 0.000 0.863 438 G HN 0.670 nan 8.290 nan 0.000 0.614 439 E N -0.015 119.878 120.200 -0.510 0.000 2.290 439 E HA 0.767 5.117 4.350 0.000 0.000 0.274 439 E C -1.798 174.401 176.600 -0.668 0.000 0.889 439 E CA -0.754 55.414 56.400 -0.387 0.000 0.760 439 E CB 1.379 30.944 29.700 -0.225 0.000 1.206 439 E HN 0.330 nan 8.360 nan 0.000 0.419 440 F N 2.798 122.744 119.950 -0.006 0.000 2.610 440 F HA 0.373 4.900 4.527 0.000 0.000 0.355 440 F C -0.728 175.073 175.800 0.002 0.000 1.140 440 F CA -0.899 57.100 58.000 -0.002 0.000 1.037 440 F CB 1.544 40.544 39.000 -0.000 0.000 1.287 440 F HN 0.231 nan 8.300 nan 0.000 0.457 441 D N 2.779 123.254 120.400 0.125 0.000 2.303 441 D HA 0.706 5.346 4.640 0.000 0.000 0.236 441 D C -0.531 175.821 176.300 0.088 0.000 1.068 441 D CA -0.088 53.963 54.000 0.085 0.000 0.830 441 D CB 1.866 42.689 40.800 0.038 0.000 1.109 441 D HN 0.555 nan 8.370 nan 0.000 0.496 442 A N 1.725 124.596 122.820 0.085 0.000 2.479 442 A HA 0.837 5.157 4.320 0.000 0.000 0.296 442 A C -0.572 177.057 177.584 0.074 0.000 1.121 442 A CA -0.644 51.440 52.037 0.078 0.000 0.743 442 A CB 1.681 20.735 19.000 0.089 0.000 1.323 442 A HN 0.348 nan 8.150 nan 0.000 0.415 443 T N 0.758 115.352 114.554 0.067 0.000 2.848 443 T HA 0.486 4.836 4.350 0.000 0.000 0.285 443 T C -1.676 173.077 174.700 0.088 0.000 0.995 443 T CA 0.044 62.187 62.100 0.072 0.000 0.970 443 T CB 0.783 69.673 68.868 0.036 0.000 0.976 443 T HN 0.435 nan 8.240 nan 0.000 0.441 444 Y N 4.640 124.942 120.300 0.003 0.000 2.369 444 Y HA 0.457 5.007 4.550 0.000 0.000 0.337 444 Y C 0.365 176.264 175.900 -0.001 0.000 0.961 444 Y CA -0.384 57.716 58.100 0.000 0.000 1.186 444 Y CB 0.558 39.017 38.460 -0.002 0.000 1.139 444 Y HN 0.674 nan 8.280 nan 0.000 0.494 445 Q N 3.354 123.088 119.800 -0.110 0.000 2.857 445 Q HA 0.581 4.921 4.340 0.000 0.000 0.319 445 Q C -1.858 174.081 176.000 -0.102 0.000 0.963 445 Q CA -1.526 54.255 55.803 -0.036 0.000 0.770 445 Q CB 2.842 31.567 28.738 -0.023 0.000 1.492 445 Q HN 0.482 nan 8.270 nan 0.000 0.493 446 K N 0.739 121.115 120.400 -0.041 0.000 2.553 446 K HA 0.343 4.663 4.320 0.000 0.000 0.250 446 K C -1.595 174.990 176.600 -0.024 0.000 0.953 446 K CA -0.589 55.674 56.287 -0.041 0.000 0.800 446 K CB 1.414 33.911 32.500 -0.006 0.000 1.243 446 K HN 0.625 nan 8.250 nan 0.000 0.435 447 N N 4.962 123.644 118.700 -0.031 0.000 2.437 447 N HA 0.256 4.996 4.740 0.000 0.000 0.243 447 N C -0.465 175.038 175.510 -0.012 0.000 1.041 447 N CA -0.130 52.908 53.050 -0.020 0.000 0.940 447 N CB 0.599 39.072 38.487 -0.023 0.000 1.133 447 N HN 0.496 nan 8.380 nan 0.000 0.506 448 I N 1.292 121.858 120.570 -0.005 0.000 2.352 448 I HA 0.120 4.290 4.170 0.000 0.000 0.290 448 I C 0.082 176.198 176.117 -0.002 0.000 1.036 448 I CA -0.017 61.282 61.300 -0.001 0.000 1.336 448 I CB 0.601 38.602 38.000 0.003 0.000 1.407 448 I HN 0.204 nan 8.210 nan 0.000 0.497 449 S N 7.508 123.207 115.700 -0.001 0.000 2.596 449 S HA 0.538 5.008 4.470 0.000 0.000 0.318 449 S C -0.221 174.380 174.600 0.001 0.000 1.097 449 S CA -0.646 57.553 58.200 -0.001 0.000 1.080 449 S CB 1.236 64.434 63.200 -0.003 0.000 0.991 449 S HN 0.500 nan 8.310 nan 0.000 0.471 450 I N 1.140 121.711 120.570 0.002 0.000 2.428 450 I HA 0.569 4.740 4.170 0.000 0.000 0.296 450 I C -0.756 175.363 176.117 0.003 0.000 0.985 450 I CA -0.918 60.384 61.300 0.003 0.000 1.260 450 I CB 0.618 38.620 38.000 0.004 0.000 1.389 450 I HN 0.381 nan 8.210 nan 0.000 0.484 451 L N 4.213 125.438 121.223 0.004 0.000 2.334 451 L HA 0.348 4.688 4.340 0.000 0.000 0.277 451 L C -0.573 176.299 176.870 0.004 0.000 1.075 451 L CA -0.471 54.371 54.840 0.004 0.000 0.804 451 L CB 0.730 42.791 42.059 0.004 0.000 1.174 451 L HN 0.568 nan 8.230 nan 0.000 0.438 452 D N 1.424 121.826 120.400 0.004 0.000 2.500 452 D HA 0.058 4.698 4.640 0.000 0.000 0.219 452 D C 0.115 176.418 176.300 0.005 0.000 1.137 452 D CA 0.130 54.133 54.000 0.005 0.000 0.946 452 D CB 1.140 41.942 40.800 0.004 0.000 1.022 452 D HN 0.277 nan 8.370 nan 0.000 0.518 453 S N 2.213 117.916 115.700 0.006 0.000 2.437 453 S HA 0.007 4.477 4.470 0.000 0.000 0.304 453 S C 0.348 174.953 174.600 0.008 0.000 1.167 453 S CA -0.585 57.619 58.200 0.007 0.000 1.106 453 S CB -0.046 63.158 63.200 0.007 0.000 1.099 453 S HN 0.220 nan 8.310 nan 0.000 0.524 454 Q N 3.404 123.209 119.800 0.007 0.000 2.242 454 Q HA 0.089 4.430 4.340 0.000 0.000 0.284 454 Q C -0.263 175.743 176.000 0.010 0.000 1.130 454 Q CA -0.056 55.752 55.803 0.008 0.000 0.940 454 Q CB 0.415 29.157 28.738 0.008 0.000 1.146 454 Q HN 0.478 nan 8.270 nan 0.000 0.388 455 V N 5.443 125.364 119.914 0.012 0.000 2.470 455 V HA -0.029 4.092 4.120 0.000 0.000 0.276 455 V C 1.503 177.607 176.094 0.015 0.000 1.040 455 V CA 0.215 62.523 62.300 0.014 0.000 1.008 455 V CB 0.500 32.333 31.823 0.017 0.000 0.990 455 V HN 0.766 nan 8.190 nan 0.000 0.477 456 I N 4.071 124.650 120.570 0.015 0.000 2.493 456 I HA -0.077 4.093 4.170 0.000 0.000 0.254 456 I C 0.878 177.008 176.117 0.021 0.000 1.160 456 I CA 0.626 61.936 61.300 0.016 0.000 1.445 456 I CB -0.168 37.840 38.000 0.013 0.000 1.086 456 I HN 0.379 nan 8.210 nan 0.000 0.433 457 V N 2.947 122.876 119.914 0.024 0.000 2.458 457 V HA 0.026 4.146 4.120 0.000 0.000 0.287 457 V C 0.462 176.578 176.094 0.038 0.000 1.009 457 V CA 0.525 62.845 62.300 0.034 0.000 1.091 457 V CB -0.283 31.564 31.823 0.041 0.000 0.960 457 V HN 0.474 nan 8.190 nan 0.000 0.476 458 T N 1.497 116.076 114.554 0.041 0.000 2.916 458 T HA 0.616 4.966 4.350 0.000 0.000 0.305 458 T C 0.085 174.813 174.700 0.047 0.000 1.119 458 T CA -0.237 61.886 62.100 0.038 0.000 1.008 458 T CB 1.947 70.831 68.868 0.028 0.000 1.129 458 T HN 0.730 nan 8.240 nan 0.000 0.480 459 G N 1.629 110.454 108.800 0.042 0.000 3.515 459 G HA2 0.354 4.314 3.960 0.000 0.000 0.288 459 G HA3 0.354 4.314 3.960 0.000 0.000 0.288 459 G C 0.243 175.162 174.900 0.031 0.000 1.012 459 G CA -0.846 44.280 45.100 0.043 0.000 1.689 459 G HN 0.825 nan 8.290 nan 0.000 0.572 460 N N 1.299 120.018 118.700 0.031 0.000 2.610 460 N HA 0.088 4.828 4.740 0.000 0.000 0.309 460 N C -0.389 175.135 175.510 0.024 0.000 1.536 460 N CA -0.700 52.364 53.050 0.024 0.000 0.954 460 N CB 0.796 39.295 38.487 0.020 0.000 1.310 460 N HN 0.201 nan 8.380 nan 0.000 0.502 461 L N 0.866 122.106 121.223 0.028 0.000 2.261 461 L HA 0.384 4.724 4.340 0.000 0.000 0.289 461 L C -0.812 176.070 176.870 0.021 0.000 1.059 461 L CA 0.122 54.978 54.840 0.027 0.000 0.816 461 L CB 0.805 42.887 42.059 0.037 0.000 1.191 461 L HN 0.164 nan 8.230 nan 0.000 0.431 462 D N 5.067 125.477 120.400 0.016 0.000 2.485 462 D HA 0.276 4.916 4.640 0.000 0.000 0.256 462 D C 0.606 176.913 176.300 0.011 0.000 1.141 462 D CA -0.131 53.876 54.000 0.012 0.000 0.942 462 D CB 0.574 41.380 40.800 0.010 0.000 1.003 462 D HN 0.456 nan 8.370 nan 0.000 0.507 463 I N 1.354 121.931 120.570 0.012 0.000 3.874 463 I HA 0.194 4.364 4.170 0.000 0.000 0.331 463 I C 1.650 177.772 176.117 0.008 0.000 1.489 463 I CA -0.171 61.135 61.300 0.010 0.000 1.187 463 I CB -0.317 37.691 38.000 0.012 0.000 1.150 463 I HN 0.278 nan 8.210 nan 0.000 0.412 464 S N -0.257 115.447 115.700 0.007 0.000 2.425 464 S HA -0.111 4.359 4.470 0.000 0.000 0.225 464 S C 2.227 176.829 174.600 0.004 0.000 1.024 464 S CA 1.668 59.871 58.200 0.006 0.000 0.951 464 S CB -0.129 63.074 63.200 0.005 0.000 0.796 464 S HN 0.791 nan 8.310 nan 0.000 0.498 465 T N 2.355 116.912 114.554 0.004 0.000 2.788 465 T HA -0.081 4.269 4.350 0.000 0.000 0.268 465 T C 1.620 176.322 174.700 0.003 0.000 1.044 465 T CA 1.400 63.502 62.100 0.004 0.000 1.139 465 T CB -0.235 68.636 68.868 0.004 0.000 0.867 465 T HN 0.387 nan 8.240 nan 0.000 0.454 466 E N 0.624 120.826 120.200 0.004 0.000 2.122 466 E HA 0.134 4.484 4.350 0.000 0.000 0.190 466 E C 1.925 178.527 176.600 0.003 0.000 0.977 466 E CA 0.102 56.504 56.400 0.003 0.000 0.820 466 E CB -0.434 29.268 29.700 0.003 0.000 0.770 466 E HN 0.197 nan 8.360 nan 0.000 0.462 467 L N 0.653 121.878 121.223 0.004 0.000 2.046 467 L HA -0.013 4.327 4.340 0.000 0.000 0.208 467 L C 2.037 178.909 176.870 0.003 0.000 1.077 467 L CA 2.268 57.110 54.840 0.004 0.000 0.747 467 L CB -0.981 41.081 42.059 0.005 0.000 0.896 467 L HN 0.202 nan 8.230 nan 0.000 0.432 468 G N -0.959 107.842 108.800 0.003 0.000 2.418 468 G HA2 -0.295 3.665 3.960 0.000 0.000 0.217 468 G HA3 -0.295 3.665 3.960 0.000 0.000 0.217 468 G C 1.361 176.262 174.900 0.002 0.000 1.158 468 G CA 0.728 45.829 45.100 0.002 0.000 0.771 468 G HN 0.457 nan 8.290 nan 0.000 0.545 469 N N 0.149 118.850 118.700 0.002 0.000 2.519 469 N HA -0.054 4.686 4.740 0.000 0.000 0.186 469 N C 2.026 177.537 175.510 0.001 0.000 1.062 469 N CA 0.596 53.647 53.050 0.001 0.000 0.910 469 N CB 0.128 38.616 38.487 0.001 0.000 0.958 469 N HN 0.277 nan 8.380 nan 0.000 0.445 470 V N 0.277 120.192 119.914 0.001 0.000 2.492 470 V HA -0.018 4.102 4.120 0.000 0.000 0.241 470 V C 1.965 178.059 176.094 0.001 0.000 1.041 470 V CA 0.817 63.117 62.300 0.001 0.000 1.057 470 V CB -0.509 31.314 31.823 0.001 0.000 0.711 470 V HN 0.226 nan 8.190 nan 0.000 0.468 471 N N 1.542 120.242 118.700 0.001 0.000 2.430 471 N HA -0.152 4.588 4.740 0.000 0.000 0.186 471 N C 1.376 176.887 175.510 0.001 0.000 1.032 471 N CA 1.822 54.872 53.050 0.001 0.000 0.893 471 N CB -0.404 38.084 38.487 0.001 0.000 0.957 471 N HN 0.647 nan 8.380 nan 0.000 0.442 472 N N -1.228 117.472 118.700 0.001 0.000 2.439 472 N HA 0.011 4.751 4.740 0.000 0.000 0.176 472 N C 1.817 177.328 175.510 0.001 0.000 1.029 472 N CA 0.883 53.934 53.050 0.001 0.000 0.886 472 N CB -0.817 37.670 38.487 0.001 0.000 1.057 472 N HN 0.229 nan 8.380 nan 0.000 0.437 473 S N -0.067 115.633 115.700 0.001 0.000 2.423 473 S HA 0.059 4.529 4.470 0.000 0.000 0.231 473 S C 1.845 176.445 174.600 0.000 0.000 1.014 473 S CA 0.707 58.907 58.200 0.000 0.000 0.965 473 S CB -0.489 62.711 63.200 0.000 0.000 0.785 473 S HN 0.537 nan 8.310 nan 0.000 0.495 474 I N 0.796 121.366 120.570 0.000 0.000 2.315 474 I HA -0.117 4.053 4.170 0.000 0.000 0.248 474 I C 2.680 178.797 176.117 0.000 0.000 1.117 474 I CA 1.144 62.444 61.300 -0.000 0.000 1.404 474 I CB -0.458 37.541 38.000 -0.000 0.000 1.071 474 I HN 0.351 nan 8.210 nan 0.000 0.419 475 S N 1.272 116.972 115.700 0.000 0.000 2.356 475 S HA -0.179 4.291 4.470 0.000 0.000 0.223 475 S C 1.821 176.422 174.600 0.001 0.000 1.032 475 S CA 1.698 59.898 58.200 0.000 0.000 1.005 475 S CB -0.241 62.959 63.200 0.000 0.000 0.867 475 S HN 0.417 nan 8.310 nan 0.000 0.449 476 N N 1.465 120.166 118.700 0.001 0.000 2.381 476 N HA 0.097 4.837 4.740 0.000 0.000 0.182 476 N C 1.588 177.098 175.510 0.001 0.000 1.025 476 N CA 1.066 54.117 53.050 0.001 0.000 0.888 476 N CB -0.579 37.909 38.487 0.001 0.000 0.965 476 N HN 0.525 nan 8.380 nan 0.000 0.438 477 A N 0.533 123.353 122.820 0.001 0.000 2.021 477 A HA 0.217 4.537 4.320 0.000 0.000 0.216 477 A C 2.536 180.121 177.584 0.001 0.000 1.163 477 A CA 1.209 53.246 52.037 0.001 0.000 0.676 477 A CB -0.662 18.339 19.000 0.001 0.000 0.818 477 A HN 0.227 nan 8.150 nan 0.000 0.453 478 L N 0.252 121.476 121.223 0.001 0.000 2.131 478 L HA -0.012 4.328 4.340 0.000 0.000 0.206 478 L C 2.053 178.924 176.870 0.001 0.000 1.087 478 L CA 2.510 57.351 54.840 0.001 0.000 0.767 478 L CB -1.620 40.439 42.059 0.001 0.000 0.917 478 L HN 0.687 nan 8.230 nan 0.000 0.441 479 D N -0.577 119.824 120.400 0.001 0.000 2.213 479 D HA 0.028 4.668 4.640 0.000 0.000 0.205 479 D C 1.969 178.269 176.300 0.001 0.000 0.961 479 D CA 1.416 55.417 54.000 0.001 0.000 0.853 479 D CB -0.340 40.460 40.800 0.001 0.000 0.967 479 D HN 0.415 nan 8.370 nan 0.000 0.496 480 K N 0.790 121.191 120.400 0.001 0.000 2.283 480 K HA 0.148 4.468 4.320 0.000 0.000 0.202 480 K C 2.045 178.647 176.600 0.002 0.000 1.048 480 K CA 1.055 57.343 56.287 0.002 0.000 0.948 480 K CB -1.123 31.378 32.500 0.002 0.000 0.742 480 K HN 0.393 nan 8.250 nan 0.000 0.458 481 L N -0.346 120.878 121.223 0.002 0.000 2.249 481 L HA 0.025 4.365 4.340 0.000 0.000 0.207 481 L C 3.023 179.894 176.870 0.002 0.000 1.090 481 L CA 1.445 56.286 54.840 0.002 0.000 0.802 481 L CB -0.087 41.973 42.059 0.002 0.000 0.947 481 L HN 0.497 nan 8.230 nan 0.000 0.453 482 E N 0.388 120.589 120.200 0.002 0.000 2.110 482 E HA -0.252 4.098 4.350 0.000 0.000 0.193 482 E C 1.985 178.586 176.600 0.002 0.000 0.988 482 E CA 1.602 58.003 56.400 0.002 0.000 0.804 482 E CB -1.183 28.518 29.700 0.001 0.000 0.745 482 E HN 0.718 nan 8.360 nan 0.000 0.458 483 E N 0.371 120.572 120.200 0.002 0.000 2.077 483 E HA -0.132 4.218 4.350 0.000 0.000 0.193 483 E C 2.360 178.961 176.600 0.002 0.000 0.989 483 E CA 1.797 58.197 56.400 0.002 0.000 0.800 483 E CB -1.019 28.682 29.700 0.002 0.000 0.746 483 E HN 0.621 nan 8.360 nan 0.000 0.452 484 S N 0.915 116.617 115.700 0.002 0.000 2.353 484 S HA -0.252 4.218 4.470 0.000 0.000 0.222 484 S C 2.124 176.726 174.600 0.002 0.000 1.035 484 S CA 1.803 60.005 58.200 0.002 0.000 1.025 484 S CB -0.395 62.807 63.200 0.003 0.000 0.902 484 S HN 0.534 nan 8.310 nan 0.000 0.440 485 N N 0.582 119.283 118.700 0.002 0.000 2.453 485 N HA 0.046 4.786 4.740 0.000 0.000 0.183 485 N C 1.655 177.166 175.510 0.002 0.000 1.041 485 N CA 1.100 54.151 53.050 0.002 0.000 0.900 485 N CB -0.424 38.064 38.487 0.002 0.000 0.961 485 N HN 0.451 nan 8.380 nan 0.000 0.443 486 S N -0.846 114.855 115.700 0.002 0.000 2.503 486 S HA 0.091 4.561 4.470 0.000 0.000 0.217 486 S C 1.825 176.426 174.600 0.001 0.000 0.999 486 S CA 0.882 59.083 58.200 0.002 0.000 0.914 486 S CB -0.028 63.173 63.200 0.001 0.000 0.782 486 S HN 0.474 nan 8.310 nan 0.000 0.520 487 K N 0.966 121.367 120.400 0.002 0.000 2.486 487 K HA 0.359 4.679 4.320 0.000 0.000 0.194 487 K C 1.614 178.215 176.600 0.002 0.000 1.033 487 K CA 0.692 56.980 56.287 0.002 0.000 1.004 487 K CB -0.786 31.715 32.500 0.002 0.000 0.798 487 K HN 0.573 nan 8.250 nan 0.000 0.495 488 L N 0.240 121.464 121.223 0.002 0.000 2.416 488 L HA 0.026 4.366 4.340 0.000 0.000 0.216 488 L C 1.081 177.952 176.870 0.002 0.000 1.098 488 L CA 0.253 55.094 54.840 0.002 0.000 0.840 488 L CB 0.077 42.137 42.059 0.002 0.000 0.981 488 L HN 0.241 nan 8.230 nan 0.000 0.462 489 D N 1.008 121.409 120.400 0.001 0.000 2.351 489 D HA -0.110 4.530 4.640 0.000 0.000 0.216 489 D C 1.599 177.900 176.300 0.001 0.000 0.968 489 D CA 0.991 54.992 54.000 0.001 0.000 0.899 489 D CB -0.002 40.799 40.800 0.001 0.000 0.907 489 D HN 0.259 nan 8.370 nan 0.000 0.514 490 K N 0.490 120.891 120.400 0.001 0.000 3.095 490 K HA 0.435 4.755 4.320 0.000 0.000 0.220 490 K C -0.145 176.456 176.600 0.001 0.000 1.216 490 K CA -0.297 55.991 56.287 0.001 0.000 1.167 490 K CB 0.077 32.577 32.500 0.001 0.000 1.199 490 K HN -0.017 nan 8.250 nan 0.000 0.458 491 V N 0.898 120.813 119.914 0.001 0.000 2.448 491 V HA 0.600 4.720 4.120 0.000 0.000 0.295 491 V C 0.318 176.413 176.094 0.001 0.000 1.025 491 V CA -0.725 61.575 62.300 0.001 0.000 0.859 491 V CB 1.095 32.919 31.823 0.001 0.000 0.988 491 V HN 0.744 nan 8.190 nan 0.000 0.431 492 N N 1.983 120.684 118.700 0.001 0.000 2.477 492 N HA 0.975 5.715 4.740 0.000 0.000 0.284 492 N C -0.341 175.170 175.510 0.001 0.000 1.182 492 N CA 0.217 53.267 53.050 0.001 0.000 0.949 492 N CB 1.898 40.385 38.487 0.001 0.000 1.204 492 N HN 1.450 nan 8.380 nan 0.000 0.526 493 V N 0.000 119.914 119.914 0.001 0.000 2.409 493 V HA 0.000 4.120 4.120 0.000 0.000 0.244 493 V CA 0.000 62.300 62.300 0.001 0.000 1.235 493 V CB 0.000 31.823 31.823 0.001 0.000 1.184 493 V HN 0.000 nan 8.190 nan 0.000 0.556