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 2vsy_1_B DATA FIRST_RESID 21 DATA SEQUENCE QDFVAWLMLA DAELGMGDTT AGEMAVQRGL ALHPGHPEAV ARLGRVRWTQ DATA SEQUENCE QRHAEAAVLL QQASDAAPEH PGIALWLGHA LEDAGQAEAA AAAYTRAHQL DATA SEQUENCE LPEEPYITAQ LLNWRRRLCD WRALDVLSAQ VRAAVAQGVG AVEPFAFLSE DATA SEQUENCE DASAAEQLAC ARTRAQAIAA SVRPLAPTRV RSKGPLRVGF VSNGFGAHPT DATA SEQUENCE GLLTVALFEA LQRRQPDLQM HLFATSGDDG STLRTRLAQA STLHDVTALG DATA SEQUENCE HLATAKHIRH HGIDLLFDLR GWGGGGRPEV FALRPAPVQV NWLAYPGTSG DATA SEQUENCE APWMDYVLGD AFALPPALEP FYSEHVLRLQ GAFQPSDTSR VVAEPPSRTQ DATA SEQUENCE CGLPEQGVVL CCFNNSYKLN PQSMARMLAV LREVPDSVLW LLSGPGEADA DATA SEQUENCE RLRAFAHAQG VDAQRLVFMP KLPHPQYLAR YRHADLFLDT HPYNAHTTAS DATA SEQUENCE DALWTGCPVL TTPGETFAAR VAGSLNHHLG LDEMNVADDA AFVAKAVALA DATA SEQUENCE SDPAALTALH ARVDVLRRAS GVFHMDGFAD DFGALLQALA RRHGWLG 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 21 Q HA 0.000 nan 4.340 nan 0.000 0.214 21 Q C 0.000 176.195 176.000 0.325 0.000 1.003 21 Q CA 0.000 55.963 55.803 0.267 0.000 1.022 21 Q CB 0.000 28.837 28.738 0.165 0.000 1.108 22 D N 1.601 122.164 120.400 0.271 0.000 2.383 22 D HA -0.038 4.253 4.640 -0.582 0.000 0.275 22 D C 0.164 176.679 176.300 0.358 0.000 1.344 22 D CA -0.042 54.097 54.000 0.231 0.000 0.984 22 D CB 0.121 40.970 40.800 0.082 0.000 1.104 22 D HN 0.235 nan 8.370 nan 0.000 0.524 23 F N 4.136 124.212 119.950 0.210 0.000 2.186 23 F HA -0.140 4.041 4.527 -0.578 0.000 0.299 23 F C 1.772 177.631 175.800 0.098 0.000 1.090 23 F CA 0.857 58.967 58.000 0.182 0.000 1.307 23 F CB 0.071 39.095 39.000 0.039 0.000 1.019 23 F HN 0.292 nan 8.300 nan 0.000 0.489 24 V N 0.458 120.388 119.914 0.027 0.000 2.358 24 V HA -0.258 3.513 4.120 -0.582 0.000 0.246 24 V C 2.751 178.770 176.094 -0.126 0.000 1.047 24 V CA 1.730 63.970 62.300 -0.100 0.000 1.035 24 V CB -1.387 30.439 31.823 0.005 0.000 0.658 24 V HN 0.459 nan 8.190 nan 0.000 0.452 25 A N -1.153 121.614 122.820 -0.090 0.000 1.902 25 A HA -0.246 3.724 4.320 -0.582 0.000 0.217 25 A C 1.943 179.414 177.584 -0.189 0.000 1.181 25 A CA 1.836 53.779 52.037 -0.158 0.000 0.623 25 A CB -0.857 18.014 19.000 -0.216 0.000 0.818 25 A HN 0.655 nan 8.150 nan 0.000 0.443 26 W N -0.638 120.579 121.300 -0.137 0.000 2.335 26 W HA -0.144 4.163 4.660 -0.589 0.000 0.311 26 W C 1.929 178.339 176.519 -0.181 0.000 1.213 26 W CA 0.822 58.085 57.345 -0.138 0.000 1.274 26 W CB -0.377 29.009 29.460 -0.124 0.000 1.148 26 W HN 0.235 nan 8.180 nan 0.000 0.498 27 L N -0.440 120.734 121.223 -0.082 0.000 2.201 27 L HA -0.144 3.847 4.340 -0.582 0.000 0.212 27 L C 2.308 179.140 176.870 -0.064 0.000 1.105 27 L CA 1.598 56.351 54.840 -0.145 0.000 0.775 27 L CB -1.257 40.574 42.059 -0.381 0.000 0.913 27 L HN 0.105 nan 8.230 nan 0.000 0.440 28 M N -1.224 118.328 119.600 -0.079 0.000 2.123 28 M HA -0.160 3.971 4.480 -0.582 0.000 0.263 28 M C 2.114 178.393 176.300 -0.034 0.000 1.069 28 M CA 1.451 56.721 55.300 -0.050 0.000 1.133 28 M CB -0.080 32.478 32.600 -0.070 0.000 1.356 28 M HN 0.270 nan 8.290 nan 0.000 0.415 29 L N 0.846 122.034 121.223 -0.057 0.000 2.447 29 L HA -0.044 3.947 4.340 -0.582 0.000 0.225 29 L C 1.946 178.819 176.870 0.005 0.000 1.148 29 L CA 1.820 56.627 54.840 -0.056 0.000 0.808 29 L CB -0.568 41.410 42.059 -0.135 0.000 0.928 29 L HN 0.295 nan 8.230 nan 0.000 0.448 30 A N -1.502 121.338 122.820 0.033 0.000 2.044 30 A HA 0.017 3.988 4.320 -0.582 0.000 0.213 30 A C 1.835 179.445 177.584 0.043 0.000 1.169 30 A CA 0.759 52.827 52.037 0.051 0.000 0.724 30 A CB -0.360 18.679 19.000 0.066 0.000 0.840 30 A HN 0.419 nan 8.150 nan 0.000 0.463 31 D N 0.715 121.143 120.400 0.046 0.000 2.117 31 D HA -0.049 4.242 4.640 -0.582 0.000 0.197 31 D C 2.069 178.389 176.300 0.033 0.000 0.987 31 D CA 1.636 55.670 54.000 0.057 0.000 0.829 31 D CB -0.265 40.579 40.800 0.073 0.000 0.961 31 D HN 0.391 nan 8.370 nan 0.000 0.460 32 A N -0.059 122.770 122.820 0.016 0.000 2.168 32 A HA -0.083 3.888 4.320 -0.582 0.000 0.215 32 A C 1.974 179.561 177.584 0.006 0.000 1.152 32 A CA 1.200 53.239 52.037 0.005 0.000 0.716 32 A CB -0.191 18.801 19.000 -0.013 0.000 0.794 32 A HN 0.113 nan 8.150 nan 0.000 0.465 33 E N -0.205 120.004 120.200 0.014 0.000 2.162 33 E HA 0.124 4.124 4.350 -0.582 0.000 0.193 33 E C 1.290 177.901 176.600 0.018 0.000 0.953 33 E CA 0.383 56.793 56.400 0.017 0.000 0.849 33 E CB -0.049 29.668 29.700 0.027 0.000 0.810 33 E HN 0.546 nan 8.360 nan 0.000 0.470 34 L N -0.916 120.321 121.223 0.023 0.000 2.672 34 L HA 0.432 4.423 4.340 -0.582 0.000 0.236 34 L C 1.266 178.155 176.870 0.031 0.000 1.186 34 L CA 0.448 55.303 54.840 0.025 0.000 0.977 34 L CB 0.256 42.330 42.059 0.024 0.000 1.203 34 L HN 0.133 nan 8.230 nan 0.000 0.448 35 G N -0.450 108.366 108.800 0.026 0.000 3.274 35 G HA2 0.102 3.713 3.960 -0.582 0.000 0.250 35 G HA3 0.102 3.713 3.960 -0.582 0.000 0.250 35 G C 0.963 175.873 174.900 0.017 0.000 1.024 35 G CA -0.115 45.002 45.100 0.028 0.000 0.840 35 G HN 0.192 nan 8.290 nan 0.000 0.522 36 M N 0.274 119.880 119.600 0.011 0.000 2.414 36 M HA 0.397 4.528 4.480 -0.582 0.000 0.251 36 M C 1.396 177.697 176.300 0.001 0.000 1.116 36 M CA 1.143 56.446 55.300 0.004 0.000 1.056 36 M CB 0.770 33.371 32.600 0.001 0.000 1.388 36 M HN 0.365 nan 8.290 nan 0.000 0.487 37 G N 1.066 109.869 108.800 0.005 0.000 2.141 37 G HA2 -0.155 3.455 3.960 -0.582 0.000 0.195 37 G HA3 -0.155 3.455 3.960 -0.582 0.000 0.195 37 G C -1.064 173.833 174.900 -0.005 0.000 1.012 37 G CA -0.031 45.068 45.100 -0.002 0.000 0.696 37 G HN 0.457 nan 8.290 nan 0.000 0.508 38 D N -0.569 119.832 120.400 0.001 0.000 2.217 38 D HA 0.648 4.939 4.640 -0.582 0.000 0.243 38 D C 0.904 177.206 176.300 0.004 0.000 1.054 38 D CA 0.290 54.291 54.000 0.002 0.000 0.838 38 D CB 1.844 42.648 40.800 0.007 0.000 1.162 38 D HN 0.015 nan 8.370 nan 0.000 0.472 39 T N -0.025 114.527 114.554 -0.002 0.000 3.000 39 T HA 0.017 4.017 4.350 -0.582 0.000 0.248 39 T C 1.419 176.122 174.700 0.004 0.000 1.034 39 T CA 0.769 62.867 62.100 -0.003 0.000 1.060 39 T CB 0.248 69.106 68.868 -0.018 0.000 0.983 39 T HN 0.281 nan 8.240 nan 0.000 0.482 40 T N 1.627 116.185 114.554 0.006 0.000 2.706 40 T HA 0.218 4.218 4.350 -0.582 0.000 0.255 40 T C 2.250 176.964 174.700 0.024 0.000 1.048 40 T CA 1.116 63.222 62.100 0.011 0.000 1.153 40 T CB -0.755 68.118 68.868 0.008 0.000 0.865 40 T HN 0.386 nan 8.240 nan 0.000 0.414 41 A N 1.298 124.136 122.820 0.031 0.000 2.070 41 A HA 0.126 4.097 4.320 -0.582 0.000 0.220 41 A C 2.473 180.095 177.584 0.063 0.000 1.159 41 A CA 1.755 53.823 52.037 0.051 0.000 0.656 41 A CB -1.248 17.780 19.000 0.047 0.000 0.800 41 A HN 0.519 nan 8.150 nan 0.000 0.453 42 G N -0.576 108.250 108.800 0.044 0.000 2.402 42 G HA2 -0.209 3.401 3.960 -0.582 0.000 0.216 42 G HA3 -0.209 3.401 3.960 -0.582 0.000 0.216 42 G C 1.463 176.391 174.900 0.047 0.000 1.162 42 G CA 0.998 46.125 45.100 0.046 0.000 0.777 42 G HN 0.638 nan 8.290 nan 0.000 0.539 43 E N -0.549 119.671 120.200 0.032 0.000 2.107 43 E HA -0.033 3.968 4.350 -0.582 0.000 0.191 43 E C 2.553 179.166 176.600 0.021 0.000 0.982 43 E CA 0.488 56.902 56.400 0.023 0.000 0.809 43 E CB -0.073 29.634 29.700 0.011 0.000 0.756 43 E HN 0.218 nan 8.360 nan 0.000 0.459 44 M N 0.279 119.898 119.600 0.032 0.000 2.175 44 M HA -0.092 4.039 4.480 -0.582 0.000 0.264 44 M C 2.358 178.670 176.300 0.021 0.000 1.063 44 M CA 1.310 56.623 55.300 0.020 0.000 1.119 44 M CB -0.834 31.793 32.600 0.044 0.000 1.377 44 M HN 0.223 nan 8.290 nan 0.000 0.415 45 A N 0.141 123.040 122.820 0.132 0.000 1.845 45 A HA -0.103 3.868 4.320 -0.582 0.000 0.215 45 A C 2.352 180.002 177.584 0.110 0.000 1.195 45 A CA 1.820 54.030 52.037 0.288 0.000 0.616 45 A CB -1.155 18.051 19.000 0.343 0.000 0.832 45 A HN 0.250 nan 8.150 nan 0.000 0.443 46 V N 0.019 119.976 119.914 0.071 0.000 2.313 46 V HA -0.391 3.379 4.120 -0.582 0.000 0.253 46 V C 2.775 178.857 176.094 -0.021 0.000 1.070 46 V CA 2.660 64.975 62.300 0.025 0.000 1.057 46 V CB -0.878 30.966 31.823 0.034 0.000 0.653 46 V HN 0.738 nan 8.190 nan 0.000 0.450 47 Q N -0.249 119.522 119.800 -0.048 0.000 2.077 47 Q HA -0.221 3.769 4.340 -0.582 0.000 0.206 47 Q C 2.401 178.295 176.000 -0.176 0.000 0.989 47 Q CA 1.915 57.666 55.803 -0.086 0.000 0.853 47 Q CB -0.149 28.535 28.738 -0.089 0.000 0.907 47 Q HN 0.521 nan 8.270 nan 0.000 0.418 48 R N -0.922 119.356 120.500 -0.370 0.000 2.115 48 R HA 0.012 4.003 4.340 -0.582 0.000 0.226 48 R C 2.254 178.273 176.300 -0.470 0.000 1.100 48 R CA 1.090 56.786 56.100 -0.673 0.000 0.980 48 R CB -1.091 28.200 30.300 -1.681 0.000 0.875 48 R HN 0.429 nan 8.270 nan 0.000 0.445 49 G N 1.994 110.642 108.800 -0.253 0.000 2.459 49 G HA2 -0.230 3.381 3.960 -0.582 0.000 0.217 49 G HA3 -0.230 3.381 3.960 -0.582 0.000 0.217 49 G C 1.622 176.685 174.900 0.270 0.000 1.183 49 G CA 0.489 45.613 45.100 0.040 0.000 0.776 49 G HN 0.176 nan 8.290 nan 0.000 0.552 50 L N 0.724 122.026 121.223 0.132 0.000 2.079 50 L HA -0.107 3.884 4.340 -0.582 0.000 0.210 50 L C 3.438 180.349 176.870 0.069 0.000 1.081 50 L CA 0.981 55.902 54.840 0.134 0.000 0.752 50 L CB -0.437 41.664 42.059 0.070 0.000 0.896 50 L HN 0.328 nan 8.230 nan 0.000 0.433 51 A N 0.200 123.012 122.820 -0.012 0.000 1.908 51 A HA -0.186 3.784 4.320 -0.582 0.000 0.218 51 A C 2.238 179.803 177.584 -0.031 0.000 1.181 51 A CA 1.590 53.599 52.037 -0.046 0.000 0.627 51 A CB -0.646 18.287 19.000 -0.112 0.000 0.818 51 A HN 0.374 nan 8.150 nan 0.000 0.445 52 L N -1.566 119.670 121.223 0.022 0.000 2.072 52 L HA -0.038 3.952 4.340 -0.582 0.000 0.205 52 L C 0.648 177.381 176.870 -0.229 0.000 1.079 52 L CA 0.723 55.562 54.840 -0.000 0.000 0.752 52 L CB -0.298 41.907 42.059 0.244 0.000 0.906 52 L HN 0.440 nan 8.230 nan 0.000 0.436 53 H N -0.476 118.577 119.070 -0.028 0.000 2.716 53 H HA 0.265 4.473 4.556 -0.581 0.000 0.260 53 H C -2.323 173.005 175.328 0.001 0.000 1.280 53 H CA -2.040 53.939 56.048 -0.116 0.000 1.506 53 H CB 0.730 30.234 29.762 -0.430 0.000 1.514 53 H HN -0.072 nan 8.280 nan 0.000 0.502 54 P HA -0.003 nan 4.420 nan 0.000 0.261 54 P C 1.192 178.538 177.300 0.076 0.000 1.203 54 P CA 1.155 64.290 63.100 0.057 0.000 0.767 54 P CB 0.488 32.194 31.700 0.011 0.000 0.785 55 G N 2.358 111.218 108.800 0.101 0.000 2.217 55 G HA2 -0.301 3.310 3.960 -0.582 0.000 0.246 55 G HA3 -0.301 3.310 3.960 -0.582 0.000 0.246 55 G C 0.325 175.304 174.900 0.132 0.000 0.990 55 G CA 0.099 45.253 45.100 0.090 0.000 0.627 55 G HN 0.767 nan 8.290 nan 0.000 0.522 56 H N 2.918 122.031 119.070 0.072 0.000 3.223 56 H HA 0.200 4.406 4.556 -0.584 0.000 0.287 56 H C -0.423 174.971 175.328 0.110 0.000 0.910 56 H CA 0.222 56.316 56.048 0.076 0.000 1.406 56 H CB 1.059 30.867 29.762 0.076 0.000 1.377 56 H HN 0.187 nan 8.280 nan 0.000 0.556 57 P HA -0.099 nan 4.420 nan 0.000 0.237 57 P C 0.510 177.938 177.300 0.213 0.000 1.178 57 P CA 1.016 64.199 63.100 0.138 0.000 0.766 57 P CB 0.357 32.071 31.700 0.023 0.000 0.876 58 E N -0.570 119.924 120.200 0.491 0.000 2.340 58 E HA 0.107 4.108 4.350 -0.582 0.000 0.194 58 E C 2.011 178.732 176.600 0.202 0.000 0.996 58 E CA 0.366 56.934 56.400 0.279 0.000 0.869 58 E CB -0.030 29.835 29.700 0.274 0.000 0.835 58 E HN 0.161 nan 8.360 nan 0.000 0.493 59 A N 0.315 123.300 122.820 0.275 0.000 1.911 59 A HA -0.026 3.944 4.320 -0.582 0.000 0.212 59 A C 2.218 179.902 177.584 0.167 0.000 1.189 59 A CA 0.400 52.550 52.037 0.188 0.000 0.639 59 A CB -0.243 18.914 19.000 0.261 0.000 0.839 59 A HN 0.106 nan 8.150 nan 0.000 0.449 60 V N 0.027 120.050 119.914 0.181 0.000 2.720 60 V HA -0.184 3.586 4.120 -0.582 0.000 0.256 60 V C 2.744 178.912 176.094 0.123 0.000 1.082 60 V CA 1.729 64.106 62.300 0.128 0.000 1.101 60 V CB -0.732 31.156 31.823 0.109 0.000 0.693 60 V HN 0.595 nan 8.190 nan 0.000 0.479 61 A N -0.516 122.399 122.820 0.158 0.000 2.030 61 A HA 0.004 3.975 4.320 -0.582 0.000 0.215 61 A C 2.336 180.086 177.584 0.277 0.000 1.164 61 A CA 0.571 52.732 52.037 0.206 0.000 0.697 61 A CB -0.234 18.879 19.000 0.190 0.000 0.827 61 A HN 0.436 nan 8.150 nan 0.000 0.457 62 R N -1.026 119.621 120.500 0.247 0.000 2.153 62 R HA 0.039 4.030 4.340 -0.582 0.000 0.218 62 R C 1.911 178.253 176.300 0.069 0.000 1.072 62 R CA 0.725 56.936 56.100 0.185 0.000 0.990 62 R CB -0.302 30.102 30.300 0.174 0.000 0.889 62 R HN 0.444 nan 8.270 nan 0.000 0.452 63 L N 0.406 121.673 121.223 0.073 0.000 1.955 63 L HA -0.056 3.935 4.340 -0.582 0.000 0.213 63 L C 2.171 179.057 176.870 0.028 0.000 1.072 63 L CA 2.292 57.159 54.840 0.044 0.000 0.755 63 L CB -1.334 40.755 42.059 0.049 0.000 0.888 63 L HN 0.216 nan 8.230 nan 0.000 0.432 64 G N -0.893 107.931 108.800 0.040 0.000 2.562 64 G HA2 -0.392 3.218 3.960 -0.582 0.000 0.223 64 G HA3 -0.392 3.218 3.960 -0.582 0.000 0.223 64 G C 1.857 176.749 174.900 -0.012 0.000 1.102 64 G CA 1.152 46.269 45.100 0.028 0.000 0.742 64 G HN 0.450 nan 8.290 nan 0.000 0.587 65 R N -0.261 120.195 120.500 -0.073 0.000 2.093 65 R HA 0.032 4.023 4.340 -0.582 0.000 0.224 65 R C 2.695 178.972 176.300 -0.038 0.000 1.101 65 R CA 1.079 57.068 56.100 -0.184 0.000 0.979 65 R CB -0.197 29.866 30.300 -0.395 0.000 0.877 65 R HN 0.302 nan 8.270 nan 0.000 0.441 66 V N 1.727 121.633 119.914 -0.013 0.000 2.219 66 V HA -0.331 3.440 4.120 -0.582 0.000 0.248 66 V C 2.477 178.574 176.094 0.006 0.000 1.053 66 V CA 1.877 64.180 62.300 0.004 0.000 1.009 66 V CB -0.711 31.113 31.823 0.001 0.000 0.636 66 V HN 0.330 nan 8.190 nan 0.000 0.445 67 R N -0.930 119.570 120.500 -0.000 0.000 2.133 67 R HA -0.285 3.706 4.340 -0.582 0.000 0.245 67 R C 1.956 178.209 176.300 -0.078 0.000 1.137 67 R CA 2.380 58.460 56.100 -0.032 0.000 0.947 67 R CB -1.445 28.850 30.300 -0.009 0.000 0.865 67 R HN 0.733 nan 8.270 nan 0.000 0.437 68 W N 1.849 123.020 121.300 -0.214 0.000 2.325 68 W HA -0.237 4.333 4.660 -0.150 0.000 0.299 68 W C 2.045 178.409 176.519 -0.258 0.000 1.215 68 W CA 2.392 59.566 57.345 -0.285 0.000 1.244 68 W CB -0.357 28.982 29.460 -0.201 0.000 1.140 68 W HN 0.076 nan 8.180 nan 0.000 0.523 69 T N 0.368 114.910 114.554 -0.020 0.000 2.737 69 T HA -0.246 3.755 4.350 -0.582 0.000 0.265 69 T C 1.546 176.088 174.700 -0.263 0.000 1.038 69 T CA 1.863 63.884 62.100 -0.131 0.000 1.144 69 T CB -0.447 68.441 68.868 0.033 0.000 0.866 69 T HN 0.291 nan 8.240 nan 0.000 0.434 70 Q N 0.545 120.232 119.800 -0.188 0.000 2.439 70 Q HA -0.011 3.980 4.340 -0.582 0.000 0.211 70 Q C 0.863 176.711 176.000 -0.254 0.000 0.978 70 Q CA 0.574 56.272 55.803 -0.174 0.000 0.897 70 Q CB -0.120 28.550 28.738 -0.114 0.000 0.956 70 Q HN 0.505 nan 8.270 nan 0.000 0.483 71 Q N -0.912 118.621 119.800 -0.445 0.000 2.488 71 Q HA -0.166 3.825 4.340 -0.582 0.000 0.260 71 Q C -0.826 174.923 176.000 -0.418 0.000 0.842 71 Q CA 0.180 55.646 55.803 -0.563 0.000 1.161 71 Q CB -0.750 27.839 28.738 -0.249 0.000 1.348 71 Q HN 0.321 nan 8.270 nan 0.000 0.639 72 R N 0.348 120.643 120.500 -0.341 0.000 3.657 72 R HA 0.178 4.169 4.340 -0.582 0.000 0.220 72 R C 0.659 176.883 176.300 -0.126 0.000 1.548 72 R CA -0.353 55.656 56.100 -0.151 0.000 1.465 72 R CB 0.147 30.395 30.300 -0.087 0.000 1.330 72 R HN 0.308 nan 8.270 nan 0.000 0.707 73 H N 0.935 120.008 119.070 0.004 0.000 2.387 73 H HA -0.114 4.088 4.556 -0.590 0.000 0.299 73 H C 1.976 177.348 175.328 0.073 0.000 1.090 73 H CA 1.573 57.660 56.048 0.065 0.000 1.332 73 H CB 0.270 30.072 29.762 0.066 0.000 1.386 73 H HN 0.536 nan 8.280 nan 0.000 0.516 74 A N 1.552 124.465 122.820 0.156 0.000 1.851 74 A HA -0.219 3.751 4.320 -0.582 0.000 0.216 74 A C 2.312 179.940 177.584 0.073 0.000 1.195 74 A CA 1.890 53.986 52.037 0.100 0.000 0.622 74 A CB -0.538 18.504 19.000 0.070 0.000 0.831 74 A HN 0.431 nan 8.150 nan 0.000 0.444 75 E N -0.348 119.883 120.200 0.052 0.000 2.077 75 E HA -0.100 3.901 4.350 -0.582 0.000 0.193 75 E C 2.321 178.948 176.600 0.046 0.000 0.989 75 E CA 0.955 57.378 56.400 0.037 0.000 0.800 75 E CB -0.332 29.380 29.700 0.020 0.000 0.746 75 E HN 0.622 nan 8.360 nan 0.000 0.452 76 A N 1.618 124.473 122.820 0.058 0.000 1.859 76 A HA -0.239 3.732 4.320 -0.582 0.000 0.217 76 A C 2.446 180.076 177.584 0.077 0.000 1.198 76 A CA 2.107 54.188 52.037 0.074 0.000 0.629 76 A CB -1.008 18.065 19.000 0.122 0.000 0.830 76 A HN 0.324 nan 8.150 nan 0.000 0.446 77 A N -0.785 122.092 122.820 0.094 0.000 1.940 77 A HA -0.033 3.938 4.320 -0.582 0.000 0.219 77 A C 2.242 179.855 177.584 0.048 0.000 1.176 77 A CA 1.967 54.049 52.037 0.074 0.000 0.631 77 A CB -1.015 18.034 19.000 0.081 0.000 0.814 77 A HN 0.479 nan 8.150 nan 0.000 0.446 78 V N -0.101 119.840 119.914 0.046 0.000 2.343 78 V HA -0.262 3.509 4.120 -0.582 0.000 0.247 78 V C 2.544 178.658 176.094 0.033 0.000 1.051 78 V CA 1.953 64.273 62.300 0.033 0.000 1.036 78 V CB -0.784 31.058 31.823 0.031 0.000 0.654 78 V HN 0.567 nan 8.190 nan 0.000 0.451 79 L N -0.981 120.266 121.223 0.039 0.000 2.046 79 L HA -0.177 3.814 4.340 -0.582 0.000 0.208 79 L C 2.353 179.252 176.870 0.048 0.000 1.077 79 L CA 1.507 56.373 54.840 0.043 0.000 0.747 79 L CB -0.396 41.691 42.059 0.047 0.000 0.896 79 L HN 0.291 nan 8.230 nan 0.000 0.432 80 L N -1.134 120.119 121.223 0.050 0.000 2.068 80 L HA -0.180 3.810 4.340 -0.582 0.000 0.204 80 L C 2.598 179.485 176.870 0.028 0.000 1.076 80 L CA 0.735 55.606 54.840 0.052 0.000 0.753 80 L CB -0.498 41.596 42.059 0.059 0.000 0.910 80 L HN 0.224 nan 8.230 nan 0.000 0.439 81 Q N 0.533 120.344 119.800 0.019 0.000 2.290 81 Q HA -0.298 3.692 4.340 -0.582 0.000 0.211 81 Q C 1.957 177.963 176.000 0.010 0.000 0.991 81 Q CA 1.939 57.747 55.803 0.008 0.000 0.893 81 Q CB -0.178 28.565 28.738 0.008 0.000 0.913 81 Q HN 0.535 nan 8.270 nan 0.000 0.428 82 Q N -1.628 118.183 119.800 0.019 0.000 2.302 82 Q HA 0.180 4.171 4.340 -0.582 0.000 0.202 82 Q C 1.898 177.910 176.000 0.020 0.000 0.936 82 Q CA 0.713 56.528 55.803 0.019 0.000 0.886 82 Q CB 0.102 28.855 28.738 0.025 0.000 0.986 82 Q HN 0.481 nan 8.270 nan 0.000 0.487 83 A N 0.525 123.361 122.820 0.026 0.000 1.874 83 A HA -0.075 3.896 4.320 -0.582 0.000 0.214 83 A C 2.246 179.832 177.584 0.003 0.000 1.189 83 A CA 1.086 53.137 52.037 0.024 0.000 0.615 83 A CB -0.469 18.555 19.000 0.040 0.000 0.830 83 A HN 0.170 nan 8.150 nan 0.000 0.443 84 S N 0.441 116.140 115.700 -0.001 0.000 2.368 84 S HA -0.206 3.915 4.470 -0.582 0.000 0.226 84 S C 1.576 176.175 174.600 -0.002 0.000 1.044 84 S CA 1.830 60.026 58.200 -0.007 0.000 1.062 84 S CB -0.507 62.686 63.200 -0.012 0.000 0.931 84 S HN 0.622 nan 8.310 nan 0.000 0.440 85 D N 1.051 121.450 120.400 -0.001 0.000 2.263 85 D HA 0.011 4.302 4.640 -0.582 0.000 0.208 85 D C 1.797 178.095 176.300 -0.004 0.000 0.971 85 D CA 1.002 55.001 54.000 -0.002 0.000 0.867 85 D CB -0.303 40.497 40.800 -0.001 0.000 0.929 85 D HN 0.438 nan 8.370 nan 0.000 0.492 86 A N 0.214 123.032 122.820 -0.004 0.000 1.911 86 A HA 0.386 4.357 4.320 -0.582 0.000 0.212 86 A C 1.565 179.139 177.584 -0.017 0.000 1.189 86 A CA 0.998 53.028 52.037 -0.012 0.000 0.639 86 A CB 0.222 19.216 19.000 -0.010 0.000 0.839 86 A HN 0.160 nan 8.150 nan 0.000 0.449 87 A N -0.085 122.731 122.820 -0.007 0.000 3.248 87 A HA 0.565 4.536 4.320 -0.582 0.000 0.315 87 A C -1.668 175.933 177.584 0.028 0.000 0.974 87 A CA -0.910 51.133 52.037 0.010 0.000 0.939 87 A CB 0.250 19.267 19.000 0.029 0.000 1.061 87 A HN 0.225 nan 8.150 nan 0.000 0.481 88 P HA -0.145 nan 4.420 nan 0.000 0.231 88 P C 0.592 177.903 177.300 0.018 0.000 1.158 88 P CA 1.123 64.230 63.100 0.012 0.000 0.763 88 P CB 0.327 32.028 31.700 0.003 0.000 0.805 89 E N -1.342 118.871 120.200 0.022 0.000 2.476 89 E HA -0.018 3.983 4.350 -0.582 0.000 0.196 89 E C 0.184 176.794 176.600 0.017 0.000 1.029 89 E CA -0.243 56.163 56.400 0.009 0.000 0.896 89 E CB -0.080 29.612 29.700 -0.012 0.000 1.012 89 E HN 0.144 nan 8.360 nan 0.000 0.475 90 H N 1.162 120.205 119.070 -0.045 0.000 2.640 90 H HA 0.144 4.352 4.556 -0.580 0.000 0.297 90 H C -1.869 173.414 175.328 -0.075 0.000 1.073 90 H CA -2.448 53.563 56.048 -0.062 0.000 1.305 90 H CB 1.509 31.230 29.762 -0.068 0.000 1.404 90 H HN 0.087 nan 8.280 nan 0.000 0.459 91 P HA -0.025 nan 4.420 nan 0.000 0.233 91 P C 1.237 178.596 177.300 0.099 0.000 1.167 91 P CA 0.789 63.932 63.100 0.071 0.000 0.770 91 P CB 0.292 31.994 31.700 0.003 0.000 0.837 92 G N 0.467 109.447 108.800 0.300 0.000 2.411 92 G HA2 -0.096 3.515 3.960 -0.582 0.000 0.213 92 G HA3 -0.096 3.515 3.960 -0.582 0.000 0.213 92 G C 1.600 176.267 174.900 -0.389 0.000 1.166 92 G CA 0.115 45.167 45.100 -0.080 0.000 0.802 92 G HN 0.193 nan 8.290 nan 0.000 0.533 93 I N 1.453 121.779 120.570 -0.406 0.000 2.315 93 I HA -0.137 3.683 4.170 -0.582 0.000 0.248 93 I C 3.237 179.292 176.117 -0.104 0.000 1.117 93 I CA 0.849 61.969 61.300 -0.300 0.000 1.404 93 I CB -0.097 37.716 38.000 -0.312 0.000 1.071 93 I HN 0.239 nan 8.210 nan 0.000 0.419 94 A N 0.923 123.690 122.820 -0.089 0.000 1.877 94 A HA -0.154 3.817 4.320 -0.582 0.000 0.216 94 A C 2.287 179.739 177.584 -0.220 0.000 1.186 94 A CA 1.353 53.326 52.037 -0.107 0.000 0.620 94 A CB -0.805 18.161 19.000 -0.056 0.000 0.822 94 A HN 0.356 nan 8.150 nan 0.000 0.443 95 L N -2.300 118.805 121.223 -0.196 0.000 2.083 95 L HA -0.201 3.789 4.340 -0.582 0.000 0.209 95 L C 2.608 179.087 176.870 -0.653 0.000 1.083 95 L CA 0.948 55.585 54.840 -0.338 0.000 0.752 95 L CB -0.377 41.694 42.059 0.020 0.000 0.899 95 L HN 0.563 nan 8.230 nan 0.000 0.433 96 W N -0.134 120.912 121.300 -0.423 0.000 2.355 96 W HA -0.180 4.235 4.660 -0.409 0.000 0.309 96 W C 2.411 178.723 176.519 -0.344 0.000 1.206 96 W CA 0.961 58.125 57.345 -0.301 0.000 1.284 96 W CB -0.779 28.593 29.460 -0.147 0.000 1.145 96 W HN 0.124 nan 8.180 nan 0.000 0.502 97 L N 0.118 121.311 121.223 -0.049 0.000 2.083 97 L HA -0.069 3.922 4.340 -0.582 0.000 0.209 97 L C 2.159 178.937 176.870 -0.153 0.000 1.083 97 L CA 2.268 57.065 54.840 -0.072 0.000 0.752 97 L CB -1.129 40.893 42.059 -0.062 0.000 0.899 97 L HN 0.049 nan 8.230 nan 0.000 0.433 98 G N -1.194 107.391 108.800 -0.357 0.000 2.422 98 G HA2 -0.253 3.358 3.960 -0.582 0.000 0.218 98 G HA3 -0.253 3.358 3.960 -0.582 0.000 0.218 98 G C 1.054 175.914 174.900 -0.067 0.000 1.140 98 G CA 1.012 45.874 45.100 -0.396 0.000 0.775 98 G HN 0.640 nan 8.290 nan 0.000 0.545 99 H N 0.315 119.417 119.070 0.054 0.000 2.403 99 H HA 0.293 4.502 4.556 -0.577 0.000 0.298 99 H C 2.915 178.337 175.328 0.157 0.000 1.059 99 H CA 0.503 56.635 56.048 0.141 0.000 1.363 99 H CB 0.104 29.851 29.762 -0.024 0.000 1.410 99 H HN 0.391 nan 8.280 nan 0.000 0.528 100 A N 1.511 124.427 122.820 0.159 0.000 1.851 100 A HA -0.161 3.810 4.320 -0.582 0.000 0.216 100 A C 2.280 180.025 177.584 0.269 0.000 1.195 100 A CA 1.435 53.621 52.037 0.250 0.000 0.622 100 A CB -0.961 18.117 19.000 0.130 0.000 0.831 100 A HN 0.307 nan 8.150 nan 0.000 0.444 101 L N -0.059 121.257 121.223 0.156 0.000 2.127 101 L HA -0.257 3.733 4.340 -0.582 0.000 0.211 101 L C 2.696 179.663 176.870 0.162 0.000 1.089 101 L CA 1.895 56.806 54.840 0.117 0.000 0.757 101 L CB -0.619 41.455 42.059 0.026 0.000 0.899 101 L HN 0.773 nan 8.230 nan 0.000 0.434 102 E N -0.839 119.522 120.200 0.269 0.000 2.112 102 E HA -0.193 3.808 4.350 -0.582 0.000 0.190 102 E C 1.273 178.028 176.600 0.258 0.000 0.979 102 E CA 1.061 57.675 56.400 0.356 0.000 0.814 102 E CB -0.204 29.866 29.700 0.616 0.000 0.762 102 E HN 0.326 nan 8.360 nan 0.000 0.460 103 D N 0.822 121.389 120.400 0.278 0.000 2.371 103 D HA 0.016 4.307 4.640 -0.582 0.000 0.221 103 D C 1.002 177.221 176.300 -0.136 0.000 0.986 103 D CA 1.032 55.091 54.000 0.098 0.000 0.899 103 D CB 0.396 41.460 40.800 0.441 0.000 0.902 103 D HN 0.360 nan 8.370 nan 0.000 0.530 104 A N -0.620 122.257 122.820 0.096 0.000 2.500 104 A HA 0.504 4.475 4.320 -0.582 0.000 0.267 104 A C 1.638 179.258 177.584 0.059 0.000 1.290 104 A CA 0.530 52.620 52.037 0.089 0.000 0.928 104 A CB 0.031 19.126 19.000 0.159 0.000 1.066 104 A HN 0.135 nan 8.150 nan 0.000 0.516 105 G N -0.848 107.989 108.800 0.062 0.000 2.168 105 G HA2 -0.310 3.301 3.960 -0.582 0.000 0.263 105 G HA3 -0.310 3.301 3.960 -0.582 0.000 0.263 105 G C 0.223 175.163 174.900 0.067 0.000 0.977 105 G CA 0.637 45.778 45.100 0.067 0.000 0.659 105 G HN 0.725 nan 8.290 nan 0.000 0.533 106 Q N -0.017 119.817 119.800 0.058 0.000 2.398 106 Q HA 0.738 4.729 4.340 -0.582 0.000 0.251 106 Q C 1.318 177.284 176.000 -0.056 0.000 0.999 106 Q CA 0.354 56.162 55.803 0.009 0.000 0.874 106 Q CB 0.890 29.628 28.738 0.000 0.000 1.215 106 Q HN 0.503 nan 8.270 nan 0.000 0.470 107 A N 4.004 126.769 122.820 -0.091 0.000 1.874 107 A HA -0.080 3.890 4.320 -0.582 0.000 0.214 107 A C 1.549 178.877 177.584 -0.426 0.000 1.189 107 A CA 0.803 52.663 52.037 -0.295 0.000 0.615 107 A CB -0.047 18.910 19.000 -0.073 0.000 0.830 107 A HN 0.752 nan 8.150 nan 0.000 0.443 108 E N 0.258 120.324 120.200 -0.223 0.000 2.110 108 E HA -0.125 3.876 4.350 -0.582 0.000 0.193 108 E C 2.275 178.754 176.600 -0.201 0.000 0.988 108 E CA 1.202 57.486 56.400 -0.194 0.000 0.804 108 E CB -0.484 29.149 29.700 -0.111 0.000 0.745 108 E HN 0.556 nan 8.360 nan 0.000 0.458 109 A N 1.463 124.181 122.820 -0.170 0.000 1.898 109 A HA -0.030 3.941 4.320 -0.582 0.000 0.216 109 A C 2.436 179.911 177.584 -0.182 0.000 1.181 109 A CA 1.826 53.782 52.037 -0.134 0.000 0.620 109 A CB -0.534 18.417 19.000 -0.081 0.000 0.819 109 A HN 0.260 nan 8.150 nan 0.000 0.442 110 A N 0.026 122.684 122.820 -0.271 0.000 1.908 110 A HA 0.111 4.082 4.320 -0.582 0.000 0.218 110 A C 2.498 179.879 177.584 -0.338 0.000 1.181 110 A CA 2.207 54.066 52.037 -0.296 0.000 0.627 110 A CB -1.043 17.766 19.000 -0.319 0.000 0.818 110 A HN 1.091 nan 8.150 nan 0.000 0.445 111 A N -0.348 122.113 122.820 -0.598 0.000 1.972 111 A HA 0.178 4.149 4.320 -0.582 0.000 0.219 111 A C 2.431 179.971 177.584 -0.072 0.000 1.169 111 A CA 1.975 53.809 52.037 -0.337 0.000 0.635 111 A CB -0.839 17.965 19.000 -0.325 0.000 0.810 111 A HN 1.062 nan 8.150 nan 0.000 0.446 112 A N -0.423 122.334 122.820 -0.105 0.000 1.968 112 A HA 0.284 4.255 4.320 -0.582 0.000 0.217 112 A C 2.394 179.963 177.584 -0.025 0.000 1.169 112 A CA 1.665 53.676 52.037 -0.043 0.000 0.638 112 A CB -0.705 18.262 19.000 -0.055 0.000 0.812 112 A HN 0.927 nan 8.150 nan 0.000 0.446 113 A N -1.472 121.304 122.820 -0.074 0.000 1.929 113 A HA 0.032 4.002 4.320 -0.582 0.000 0.216 113 A C 2.005 179.530 177.584 -0.098 0.000 1.176 113 A CA 1.229 53.195 52.037 -0.119 0.000 0.628 113 A CB -0.687 18.183 19.000 -0.216 0.000 0.816 113 A HN 0.528 nan 8.150 nan 0.000 0.444 114 Y N 0.625 120.940 120.300 0.025 0.000 2.293 114 Y HA -0.119 4.079 4.550 -0.588 0.000 0.291 114 Y C 2.858 178.830 175.900 0.120 0.000 1.137 114 Y CA 1.670 59.834 58.100 0.107 0.000 1.202 114 Y CB -0.790 37.784 38.460 0.191 0.000 0.990 114 Y HN 0.262 nan 8.280 nan 0.000 0.537 115 T N -0.189 114.500 114.554 0.225 0.000 2.746 115 T HA -0.233 3.768 4.350 -0.582 0.000 0.267 115 T C 1.984 176.787 174.700 0.171 0.000 1.039 115 T CA 1.705 63.916 62.100 0.185 0.000 1.142 115 T CB -0.208 68.728 68.868 0.112 0.000 0.866 115 T HN 0.311 nan 8.240 nan 0.000 0.444 116 R N 1.199 121.760 120.500 0.101 0.000 2.070 116 R HA -0.006 3.985 4.340 -0.582 0.000 0.233 116 R C 2.596 178.943 176.300 0.078 0.000 1.137 116 R CA 1.577 57.716 56.100 0.066 0.000 0.945 116 R CB -0.667 29.645 30.300 0.020 0.000 0.845 116 R HN 0.298 nan 8.270 nan 0.000 0.430 117 A N 0.524 123.397 122.820 0.088 0.000 1.884 117 A HA -0.313 3.658 4.320 -0.582 0.000 0.219 117 A C 2.088 179.760 177.584 0.146 0.000 1.197 117 A CA 2.140 54.242 52.037 0.107 0.000 0.637 117 A CB -1.273 17.806 19.000 0.132 0.000 0.827 117 A HN 0.754 nan 8.150 nan 0.000 0.450 118 H N -0.286 118.860 119.070 0.127 0.000 2.289 118 H HA -0.205 4.000 4.556 -0.584 0.000 0.294 118 H C 2.127 177.501 175.328 0.076 0.000 1.095 118 H CA 2.492 58.607 56.048 0.113 0.000 1.256 118 H CB -0.338 29.498 29.762 0.124 0.000 1.359 118 H HN 0.620 nan 8.280 nan 0.000 0.487 119 Q N -0.375 119.402 119.800 -0.039 0.000 2.234 119 Q HA -0.111 3.880 4.340 -0.582 0.000 0.206 119 Q C 2.466 178.408 176.000 -0.097 0.000 0.980 119 Q CA 1.456 57.202 55.803 -0.094 0.000 0.869 119 Q CB 0.025 28.772 28.738 0.016 0.000 0.912 119 Q HN 0.524 nan 8.270 nan 0.000 0.436 120 L N -0.370 120.822 121.223 -0.052 0.000 2.179 120 L HA 0.003 3.994 4.340 -0.582 0.000 0.208 120 L C 0.822 177.658 176.870 -0.056 0.000 1.096 120 L CA 0.584 55.399 54.840 -0.042 0.000 0.779 120 L CB 0.266 42.316 42.059 -0.015 0.000 0.922 120 L HN 0.175 nan 8.230 nan 0.000 0.443 121 L N -0.131 121.051 121.223 -0.067 0.000 2.594 121 L HA 0.235 4.226 4.340 -0.582 0.000 0.245 121 L C -1.837 174.974 176.870 -0.098 0.000 1.460 121 L CA -1.097 53.714 54.840 -0.049 0.000 0.865 121 L CB 0.813 42.882 42.059 0.017 0.000 1.131 121 L HN -0.147 nan 8.230 nan 0.000 0.506 122 P HA -0.159 nan 4.420 nan 0.000 0.221 122 P C 1.125 178.404 177.300 -0.034 0.000 1.145 122 P CA 1.285 64.231 63.100 -0.257 0.000 0.795 122 P CB 0.390 31.982 31.700 -0.180 0.000 0.775 123 E N -0.730 119.468 120.200 -0.002 0.000 2.299 123 E HA -0.072 3.929 4.350 -0.582 0.000 0.193 123 E C 0.617 177.258 176.600 0.069 0.000 0.998 123 E CA 0.283 56.705 56.400 0.035 0.000 0.851 123 E CB -0.067 29.646 29.700 0.021 0.000 0.795 123 E HN 0.168 nan 8.360 nan 0.000 0.492 124 E N 2.301 122.552 120.200 0.084 0.000 2.104 124 E HA 0.003 4.003 4.350 -0.582 0.000 0.278 124 E C -1.767 174.929 176.600 0.159 0.000 1.127 124 E CA -2.443 54.027 56.400 0.117 0.000 0.897 124 E CB 0.882 30.654 29.700 0.120 0.000 1.043 124 E HN -0.092 nan 8.360 nan 0.000 0.410 125 P HA -0.160 nan 4.420 nan 0.000 0.221 125 P C 1.030 178.419 177.300 0.148 0.000 1.150 125 P CA 0.848 64.024 63.100 0.127 0.000 0.800 125 P CB -0.016 31.741 31.700 0.095 0.000 0.787 126 Y N 1.093 121.440 120.300 0.078 0.000 2.181 126 Y HA -0.166 4.032 4.550 -0.586 0.000 0.288 126 Y C 2.222 178.194 175.900 0.120 0.000 1.146 126 Y CA 1.383 59.534 58.100 0.086 0.000 1.164 126 Y CB -0.634 37.877 38.460 0.085 0.000 0.982 126 Y HN -0.252 nan 8.280 nan 0.000 0.515 127 I N -0.415 120.314 120.570 0.266 0.000 2.252 127 I HA -0.239 3.582 4.170 -0.582 0.000 0.245 127 I C 2.249 178.460 176.117 0.157 0.000 1.102 127 I CA 1.690 63.145 61.300 0.257 0.000 1.385 127 I CB -1.859 36.332 38.000 0.318 0.000 1.064 127 I HN 0.204 nan 8.210 nan 0.000 0.414 128 T N 1.552 116.201 114.554 0.158 0.000 2.720 128 T HA -0.140 3.861 4.350 -0.582 0.000 0.268 128 T C 2.059 176.753 174.700 -0.011 0.000 1.037 128 T CA 1.657 63.807 62.100 0.083 0.000 1.144 128 T CB -0.397 68.542 68.868 0.119 0.000 0.864 128 T HN 0.437 nan 8.240 nan 0.000 0.444 129 A N 1.428 124.225 122.820 -0.039 0.000 1.930 129 A HA -0.111 3.860 4.320 -0.582 0.000 0.217 129 A C 2.415 179.905 177.584 -0.155 0.000 1.175 129 A CA 1.016 53.003 52.037 -0.084 0.000 0.627 129 A CB -0.391 18.551 19.000 -0.097 0.000 0.815 129 A HN 0.329 nan 8.150 nan 0.000 0.443 130 Q N -0.679 118.977 119.800 -0.239 0.000 2.083 130 Q HA -0.106 3.885 4.340 -0.582 0.000 0.198 130 Q C 2.099 177.931 176.000 -0.280 0.000 0.969 130 Q CA 1.291 56.891 55.803 -0.338 0.000 0.838 130 Q CB -0.907 27.577 28.738 -0.423 0.000 0.900 130 Q HN 0.579 nan 8.270 nan 0.000 0.436 131 L N 0.835 121.982 121.223 -0.127 0.000 1.989 131 L HA -0.167 3.824 4.340 -0.582 0.000 0.211 131 L C 2.180 179.063 176.870 0.021 0.000 1.071 131 L CA 1.442 56.283 54.840 0.002 0.000 0.749 131 L CB -0.936 41.128 42.059 0.008 0.000 0.890 131 L HN 0.237 nan 8.230 nan 0.000 0.431 132 L N -0.012 121.197 121.223 -0.024 0.000 2.079 132 L HA -0.264 3.726 4.340 -0.582 0.000 0.210 132 L C 2.306 179.192 176.870 0.027 0.000 1.081 132 L CA 1.959 56.804 54.840 0.009 0.000 0.752 132 L CB -1.193 40.865 42.059 -0.002 0.000 0.896 132 L HN 0.498 nan 8.230 nan 0.000 0.433 133 N N -0.954 117.721 118.700 -0.042 0.000 2.058 133 N HA -0.260 4.130 4.740 -0.582 0.000 0.191 133 N C 1.871 177.349 175.510 -0.053 0.000 1.037 133 N CA 2.145 55.138 53.050 -0.095 0.000 0.848 133 N CB -0.389 37.959 38.487 -0.231 0.000 1.021 133 N HN 0.523 nan 8.380 nan 0.000 0.422 134 W N 1.700 122.962 121.300 -0.065 0.000 2.317 134 W HA -0.117 4.186 4.660 -0.595 0.000 0.318 134 W C 2.744 179.280 176.519 0.028 0.000 1.227 134 W CA 0.561 57.894 57.345 -0.019 0.000 1.269 134 W CB -0.096 29.338 29.460 -0.043 0.000 1.155 134 W HN 0.071 nan 8.180 nan 0.000 0.484 135 R N 0.175 120.851 120.500 0.294 0.000 2.091 135 R HA -0.148 3.842 4.340 -0.582 0.000 0.238 135 R C 2.010 178.447 176.300 0.229 0.000 1.136 135 R CA 1.551 57.779 56.100 0.212 0.000 0.959 135 R CB -0.844 29.551 30.300 0.159 0.000 0.856 135 R HN 0.336 nan 8.270 nan 0.000 0.437 136 R N 0.201 120.840 120.500 0.231 0.000 2.081 136 R HA -0.095 3.896 4.340 -0.582 0.000 0.235 136 R C 2.413 178.882 176.300 0.282 0.000 1.131 136 R CA 1.231 57.499 56.100 0.280 0.000 0.960 136 R CB -0.302 30.135 30.300 0.228 0.000 0.856 136 R HN 0.193 nan 8.270 nan 0.000 0.436 137 R N 0.521 121.182 120.500 0.268 0.000 2.096 137 R HA -0.037 3.954 4.340 -0.582 0.000 0.235 137 R C 1.711 178.158 176.300 0.244 0.000 1.127 137 R CA 1.061 57.334 56.100 0.288 0.000 0.968 137 R CB -0.034 30.424 30.300 0.265 0.000 0.861 137 R HN 0.185 nan 8.270 nan 0.000 0.440 138 L N -0.555 120.803 121.223 0.225 0.000 2.653 138 L HA 0.112 4.103 4.340 -0.582 0.000 0.231 138 L C 0.242 177.091 176.870 -0.034 0.000 1.153 138 L CA -0.420 54.486 54.840 0.109 0.000 0.933 138 L CB 0.361 42.479 42.059 0.099 0.000 1.175 138 L HN 0.276 nan 8.230 nan 0.000 0.473 139 C N 1.095 120.372 119.300 -0.038 0.000 4.268 139 C HA -0.188 3.922 4.460 -0.582 0.000 0.299 139 C C 0.717 175.262 174.990 -0.741 0.000 1.429 139 C CA 0.500 59.279 59.018 -0.398 0.000 2.018 139 C CB -2.382 25.097 27.740 -0.434 0.000 1.277 139 C HN 0.617 nan 8.230 nan 0.000 0.767 140 D N -0.436 119.778 120.400 -0.310 0.000 2.443 140 D HA 0.309 4.600 4.640 -0.582 0.000 0.221 140 D C 0.534 176.839 176.300 0.008 0.000 1.097 140 D CA -0.452 53.425 54.000 -0.204 0.000 0.865 140 D CB 0.270 41.039 40.800 -0.052 0.000 1.034 140 D HN 0.476 nan 8.370 nan 0.000 0.511 141 W N 3.220 124.505 121.300 -0.025 0.000 3.290 141 W HA 0.188 4.498 4.660 -0.583 0.000 0.287 141 W C 0.476 176.983 176.519 -0.019 0.000 1.288 141 W CA -0.628 56.691 57.345 -0.042 0.000 1.725 141 W CB -0.564 28.832 29.460 -0.107 0.000 1.103 141 W HN 0.177 nan 8.180 nan 0.000 0.670 142 R N 1.369 121.976 120.500 0.178 0.000 2.486 142 R HA 0.167 4.158 4.340 -0.582 0.000 0.303 142 R C 1.223 177.582 176.300 0.099 0.000 0.958 142 R CA 1.017 57.188 56.100 0.118 0.000 1.077 142 R CB 0.046 30.394 30.300 0.080 0.000 0.921 142 R HN 0.075 nan 8.270 nan 0.000 0.406 143 A N 2.525 125.396 122.820 0.084 0.000 2.979 143 A HA -0.206 3.765 4.320 -0.582 0.000 0.260 143 A C 1.159 178.772 177.584 0.048 0.000 1.282 143 A CA 0.857 52.931 52.037 0.062 0.000 0.971 143 A CB -1.608 17.426 19.000 0.056 0.000 1.124 143 A HN 0.699 nan 8.150 nan 0.000 0.826 144 L N 0.667 121.926 121.223 0.060 0.000 2.079 144 L HA -0.144 3.847 4.340 -0.582 0.000 0.210 144 L C 1.980 178.848 176.870 -0.003 0.000 1.081 144 L CA 3.271 58.132 54.840 0.036 0.000 0.752 144 L CB -0.462 41.613 42.059 0.027 0.000 0.896 144 L HN 0.698 nan 8.230 nan 0.000 0.433 145 D N -1.992 118.403 120.400 -0.008 0.000 2.149 145 D HA -0.172 4.118 4.640 -0.582 0.000 0.201 145 D C 2.121 178.424 176.300 0.005 0.000 0.972 145 D CA 1.103 55.094 54.000 -0.015 0.000 0.835 145 D CB -0.725 40.067 40.800 -0.015 0.000 0.966 145 D HN 0.225 nan 8.370 nan 0.000 0.476 146 V N 0.305 120.231 119.914 0.020 0.000 2.453 146 V HA -0.099 3.671 4.120 -0.582 0.000 0.247 146 V C 1.995 178.109 176.094 0.034 0.000 1.048 146 V CA 1.129 63.448 62.300 0.033 0.000 1.049 146 V CB -0.341 31.510 31.823 0.048 0.000 0.672 146 V HN 0.260 nan 8.190 nan 0.000 0.457 147 L N -0.132 121.103 121.223 0.020 0.000 2.027 147 L HA -0.124 3.867 4.340 -0.582 0.000 0.206 147 L C 2.805 179.687 176.870 0.021 0.000 1.074 147 L CA 1.971 56.816 54.840 0.008 0.000 0.745 147 L CB -0.845 41.203 42.059 -0.019 0.000 0.898 147 L HN 0.418 nan 8.230 nan 0.000 0.433 148 S N -0.297 115.411 115.700 0.013 0.000 2.370 148 S HA -0.237 3.884 4.470 -0.582 0.000 0.226 148 S C 2.111 176.732 174.600 0.035 0.000 1.033 148 S CA 1.430 59.638 58.200 0.013 0.000 1.011 148 S CB -0.134 63.052 63.200 -0.022 0.000 0.852 148 S HN 0.447 nan 8.310 nan 0.000 0.457 149 A N 0.940 123.777 122.820 0.028 0.000 1.902 149 A HA -0.143 3.828 4.320 -0.582 0.000 0.217 149 A C 2.113 179.727 177.584 0.050 0.000 1.181 149 A CA 1.665 53.724 52.037 0.036 0.000 0.623 149 A CB -0.821 18.195 19.000 0.027 0.000 0.818 149 A HN 0.735 nan 8.150 nan 0.000 0.443 150 Q N -0.535 119.297 119.800 0.053 0.000 2.135 150 Q HA -0.129 3.862 4.340 -0.582 0.000 0.204 150 Q C 2.080 178.118 176.000 0.062 0.000 0.981 150 Q CA 1.652 57.491 55.803 0.060 0.000 0.856 150 Q CB -0.370 28.411 28.738 0.073 0.000 0.902 150 Q HN 0.517 nan 8.270 nan 0.000 0.425 151 V N 0.591 120.550 119.914 0.075 0.000 2.407 151 V HA -0.180 3.590 4.120 -0.582 0.000 0.245 151 V C 2.090 178.255 176.094 0.117 0.000 1.041 151 V CA 1.507 63.861 62.300 0.090 0.000 1.040 151 V CB -0.352 31.541 31.823 0.117 0.000 0.671 151 V HN 0.250 nan 8.190 nan 0.000 0.455 152 R N 0.454 121.069 120.500 0.190 0.000 2.096 152 R HA -0.096 3.895 4.340 -0.582 0.000 0.235 152 R C 2.392 178.737 176.300 0.074 0.000 1.127 152 R CA 1.423 57.652 56.100 0.215 0.000 0.968 152 R CB -0.583 29.839 30.300 0.204 0.000 0.861 152 R HN 0.524 nan 8.270 nan 0.000 0.440 153 A N 1.191 124.044 122.820 0.054 0.000 1.933 153 A HA -0.104 3.867 4.320 -0.582 0.000 0.218 153 A C 2.353 179.941 177.584 0.006 0.000 1.175 153 A CA 1.655 53.709 52.037 0.028 0.000 0.628 153 A CB -0.622 18.397 19.000 0.031 0.000 0.814 153 A HN 0.391 nan 8.150 nan 0.000 0.444 154 A N -0.617 122.205 122.820 0.003 0.000 1.930 154 A HA 0.040 4.010 4.320 -0.582 0.000 0.217 154 A C 2.208 179.757 177.584 -0.058 0.000 1.175 154 A CA 1.618 53.648 52.037 -0.012 0.000 0.627 154 A CB -0.885 18.116 19.000 0.002 0.000 0.815 154 A HN 0.360 nan 8.150 nan 0.000 0.443 155 V N -0.048 119.795 119.914 -0.117 0.000 2.332 155 V HA -0.292 3.479 4.120 -0.582 0.000 0.248 155 V C 3.055 179.075 176.094 -0.123 0.000 1.055 155 V CA 2.064 64.236 62.300 -0.214 0.000 1.038 155 V CB -1.173 30.376 31.823 -0.458 0.000 0.651 155 V HN 0.618 nan 8.190 nan 0.000 0.450 156 A N -1.074 121.706 122.820 -0.066 0.000 1.933 156 A HA -0.212 3.759 4.320 -0.582 0.000 0.218 156 A C 2.115 179.682 177.584 -0.027 0.000 1.175 156 A CA 1.339 53.356 52.037 -0.033 0.000 0.628 156 A CB -0.389 18.607 19.000 -0.006 0.000 0.814 156 A HN 0.539 nan 8.150 nan 0.000 0.444 157 Q N -1.271 118.515 119.800 -0.024 0.000 2.436 157 Q HA 0.035 4.026 4.340 -0.582 0.000 0.209 157 Q C 1.234 177.220 176.000 -0.023 0.000 0.965 157 Q CA 0.871 56.664 55.803 -0.016 0.000 0.910 157 Q CB -0.315 28.419 28.738 -0.006 0.000 0.980 157 Q HN 1.015 nan 8.270 nan 0.000 0.491 158 G N 0.767 109.543 108.800 -0.040 0.000 2.160 158 G HA2 -0.254 3.356 3.960 -0.582 0.000 0.244 158 G HA3 -0.254 3.356 3.960 -0.582 0.000 0.244 158 G C 0.309 175.190 174.900 -0.031 0.000 1.022 158 G CA 0.291 45.365 45.100 -0.043 0.000 0.741 158 G HN 0.206 nan 8.290 nan 0.000 0.508 159 V N -0.480 119.419 119.914 -0.026 0.000 3.376 159 V HA 0.470 4.241 4.120 -0.582 0.000 0.303 159 V C 1.945 178.034 176.094 -0.008 0.000 1.100 159 V CA 0.992 63.288 62.300 -0.006 0.000 1.126 159 V CB 1.278 33.107 31.823 0.011 0.000 1.085 159 V HN 0.695 nan 8.190 nan 0.000 0.480 160 G N -0.013 108.798 108.800 0.018 0.000 3.088 160 G HA2 0.225 3.835 3.960 -0.582 0.000 0.212 160 G HA3 0.225 3.835 3.960 -0.582 0.000 0.212 160 G C 1.289 176.227 174.900 0.064 0.000 1.173 160 G CA 0.670 45.786 45.100 0.027 0.000 0.779 160 G HN 0.916 nan 8.290 nan 0.000 0.540 161 A N 0.024 122.888 122.820 0.074 0.000 1.845 161 A HA 0.194 4.165 4.320 -0.582 0.000 0.215 161 A C 1.416 179.044 177.584 0.073 0.000 1.195 161 A CA 1.063 53.188 52.037 0.147 0.000 0.616 161 A CB -0.529 18.554 19.000 0.139 0.000 0.832 161 A HN 0.549 nan 8.150 nan 0.000 0.443 162 V N 0.935 120.847 119.914 -0.004 0.000 2.607 162 V HA 0.288 4.059 4.120 -0.582 0.000 0.289 162 V C -0.323 175.791 176.094 0.034 0.000 1.053 162 V CA -0.930 61.367 62.300 -0.006 0.000 0.996 162 V CB 1.128 32.949 31.823 -0.003 0.000 0.995 162 V HN 0.512 nan 8.190 nan 0.000 0.476 163 E N 6.532 126.796 120.200 0.107 0.000 2.373 163 E HA 0.199 4.199 4.350 -0.582 0.000 0.267 163 E C -1.798 174.929 176.600 0.213 0.000 1.032 163 E CA -1.720 54.799 56.400 0.198 0.000 0.889 163 E CB 1.427 31.336 29.700 0.348 0.000 0.984 163 E HN 0.530 nan 8.360 nan 0.000 0.425 164 P HA -0.139 nan 4.420 nan 0.000 0.216 164 P C 1.305 178.812 177.300 0.346 0.000 1.150 164 P CA 0.944 64.174 63.100 0.215 0.000 0.837 164 P CB -0.007 31.716 31.700 0.038 0.000 0.786 165 F N 0.817 120.908 119.950 0.234 0.000 2.095 165 F HA -0.196 3.982 4.527 -0.581 0.000 0.298 165 F C 2.149 177.983 175.800 0.057 0.000 1.104 165 F CA 1.739 59.844 58.000 0.175 0.000 1.232 165 F CB -0.736 38.186 39.000 -0.131 0.000 0.987 165 F HN -0.136 nan 8.300 nan 0.000 0.475 166 A N -0.536 122.396 122.820 0.188 0.000 2.015 166 A HA -0.183 3.788 4.320 -0.582 0.000 0.219 166 A C 2.045 179.633 177.584 0.008 0.000 1.163 166 A CA 1.226 53.292 52.037 0.048 0.000 0.646 166 A CB -1.490 17.572 19.000 0.103 0.000 0.806 166 A HN 0.511 nan 8.150 nan 0.000 0.448 167 F N 0.716 120.618 119.950 -0.079 0.000 2.216 167 F HA -0.092 4.086 4.527 -0.583 0.000 0.300 167 F C 1.780 177.475 175.800 -0.176 0.000 1.085 167 F CA 1.023 58.967 58.000 -0.094 0.000 1.326 167 F CB -0.282 38.689 39.000 -0.048 0.000 1.027 167 F HN 0.144 nan 8.300 nan 0.000 0.497 168 L N -0.338 120.678 121.223 -0.345 0.000 2.189 168 L HA -0.253 3.738 4.340 -0.582 0.000 0.214 168 L C 2.468 179.041 176.870 -0.495 0.000 1.097 168 L CA 1.608 56.086 54.840 -0.604 0.000 0.764 168 L CB -0.933 40.498 42.059 -1.047 0.000 0.900 168 L HN 0.319 nan 8.230 nan 0.000 0.436 169 S N -1.579 113.958 115.700 -0.272 0.000 2.593 169 S HA 0.032 4.153 4.470 -0.582 0.000 0.217 169 S C 0.723 175.210 174.600 -0.189 0.000 0.966 169 S CA -0.289 57.866 58.200 -0.074 0.000 0.914 169 S CB -0.043 63.230 63.200 0.122 0.000 0.776 169 S HN 0.210 nan 8.310 nan 0.000 0.523 170 E N 1.948 121.932 120.200 -0.360 0.000 2.319 170 E HA 0.282 4.283 4.350 -0.582 0.000 0.268 170 E C -1.110 175.254 176.600 -0.393 0.000 1.050 170 E CA -0.564 55.609 56.400 -0.377 0.000 0.878 170 E CB 0.447 29.830 29.700 -0.530 0.000 1.066 170 E HN 0.227 nan 8.360 nan 0.000 0.406 171 D N 0.942 121.173 120.400 -0.281 0.000 2.441 171 D HA 0.335 4.625 4.640 -0.582 0.000 0.243 171 D C -0.814 175.351 176.300 -0.226 0.000 1.257 171 D CA 0.328 54.187 54.000 -0.236 0.000 1.027 171 D CB -0.035 40.677 40.800 -0.146 0.000 1.084 171 D HN 0.406 nan 8.370 nan 0.000 0.514 172 A N 1.460 124.111 122.820 -0.282 0.000 2.498 172 A HA 0.656 4.627 4.320 -0.582 0.000 0.298 172 A C 0.202 177.673 177.584 -0.189 0.000 1.075 172 A CA -0.814 51.088 52.037 -0.225 0.000 0.714 172 A CB 1.244 20.029 19.000 -0.359 0.000 1.299 172 A HN 0.360 nan 8.150 nan 0.000 0.407 173 S N 0.614 116.229 115.700 -0.142 0.000 2.608 173 S HA 0.469 4.590 4.470 -0.582 0.000 0.261 173 S C 1.301 175.761 174.600 -0.234 0.000 1.314 173 S CA 0.134 58.214 58.200 -0.199 0.000 0.992 173 S CB 1.006 64.074 63.200 -0.219 0.000 0.935 173 S HN 1.964 nan 8.310 nan 0.000 0.564 174 A N 0.905 123.507 122.820 -0.363 0.000 2.070 174 A HA 0.215 4.185 4.320 -0.582 0.000 0.220 174 A C 2.291 179.666 177.584 -0.348 0.000 1.159 174 A CA 1.484 53.307 52.037 -0.356 0.000 0.656 174 A CB -1.551 17.230 19.000 -0.364 0.000 0.800 174 A HN 1.257 nan 8.150 nan 0.000 0.453 175 A N 0.244 122.772 122.820 -0.486 0.000 1.873 175 A HA -0.155 3.816 4.320 -0.582 0.000 0.215 175 A C 1.897 179.472 177.584 -0.014 0.000 1.186 175 A CA 1.513 53.470 52.037 -0.134 0.000 0.616 175 A CB -0.489 18.462 19.000 -0.081 0.000 0.823 175 A HN 0.620 nan 8.150 nan 0.000 0.442 176 E N -0.257 119.940 120.200 -0.005 0.000 2.106 176 E HA -0.218 3.782 4.350 -0.582 0.000 0.192 176 E C 2.240 178.963 176.600 0.204 0.000 0.984 176 E CA 1.244 57.710 56.400 0.109 0.000 0.806 176 E CB -0.223 29.604 29.700 0.213 0.000 0.750 176 E HN 0.725 nan 8.360 nan 0.000 0.458 177 Q N 0.412 120.336 119.800 0.207 0.000 2.079 177 Q HA -0.157 3.833 4.340 -0.582 0.000 0.200 177 Q C 2.361 178.392 176.000 0.051 0.000 0.974 177 Q CA 0.897 56.837 55.803 0.228 0.000 0.840 177 Q CB -0.146 28.636 28.738 0.072 0.000 0.898 177 Q HN 0.192 nan 8.270 nan 0.000 0.430 178 L N 0.856 122.072 121.223 -0.011 0.000 2.046 178 L HA -0.129 3.862 4.340 -0.582 0.000 0.208 178 L C 2.179 179.020 176.870 -0.049 0.000 1.077 178 L CA 2.147 56.961 54.840 -0.044 0.000 0.747 178 L CB -0.908 41.155 42.059 0.007 0.000 0.896 178 L HN 0.116 nan 8.230 nan 0.000 0.432 179 A N -1.043 121.756 122.820 -0.035 0.000 1.892 179 A HA -0.320 3.650 4.320 -0.582 0.000 0.218 179 A C 2.571 180.077 177.584 -0.130 0.000 1.188 179 A CA 2.003 53.998 52.037 -0.069 0.000 0.631 179 A CB -1.693 17.273 19.000 -0.057 0.000 0.822 179 A HN 0.719 nan 8.150 nan 0.000 0.447 180 C N -0.940 118.243 119.300 -0.196 0.000 2.453 180 C HA 0.123 4.234 4.460 -0.582 0.000 0.277 180 C C 3.187 178.083 174.990 -0.157 0.000 1.262 180 C CA 1.281 60.124 59.018 -0.292 0.000 1.718 180 C CB -1.362 26.046 27.740 -0.553 0.000 2.031 180 C HN 0.692 nan 8.230 nan 0.000 0.480 181 A N 0.970 123.726 122.820 -0.106 0.000 1.858 181 A HA -0.210 3.761 4.320 -0.582 0.000 0.216 181 A C 2.440 179.943 177.584 -0.135 0.000 1.190 181 A CA 1.896 53.867 52.037 -0.110 0.000 0.617 181 A CB -0.911 18.025 19.000 -0.106 0.000 0.827 181 A HN 0.760 nan 8.150 nan 0.000 0.443 182 R N -0.159 120.263 120.500 -0.131 0.000 2.096 182 R HA -0.152 3.838 4.340 -0.582 0.000 0.235 182 R C 2.218 178.453 176.300 -0.109 0.000 1.127 182 R CA 2.390 58.408 56.100 -0.136 0.000 0.968 182 R CB -0.736 29.498 30.300 -0.110 0.000 0.861 182 R HN 0.638 nan 8.270 nan 0.000 0.440 183 T N -1.407 113.092 114.554 -0.092 0.000 2.857 183 T HA -0.080 3.921 4.350 -0.582 0.000 0.266 183 T C 1.984 176.656 174.700 -0.046 0.000 1.048 183 T CA 0.887 62.947 62.100 -0.067 0.000 1.139 183 T CB -0.246 68.581 68.868 -0.068 0.000 0.874 183 T HN 0.166 nan 8.240 nan 0.000 0.455 184 R N 2.448 122.918 120.500 -0.050 0.000 2.070 184 R HA 0.215 4.206 4.340 -0.582 0.000 0.233 184 R C 2.640 178.952 176.300 0.019 0.000 1.137 184 R CA 1.929 58.023 56.100 -0.010 0.000 0.945 184 R CB -1.420 28.875 30.300 -0.009 0.000 0.845 184 R HN 0.480 nan 8.270 nan 0.000 0.430 185 A N 0.356 123.154 122.820 -0.037 0.000 1.940 185 A HA -0.217 3.754 4.320 -0.582 0.000 0.219 185 A C 2.088 179.684 177.584 0.019 0.000 1.176 185 A CA 1.793 53.792 52.037 -0.063 0.000 0.631 185 A CB -0.518 18.224 19.000 -0.430 0.000 0.814 185 A HN 0.589 nan 8.150 nan 0.000 0.446 186 Q N -0.879 118.905 119.800 -0.027 0.000 2.245 186 Q HA 0.087 4.077 4.340 -0.582 0.000 0.201 186 Q C 2.325 178.350 176.000 0.042 0.000 0.955 186 Q CA 0.829 56.635 55.803 0.006 0.000 0.870 186 Q CB -0.293 28.428 28.738 -0.028 0.000 0.945 186 Q HN 0.691 nan 8.270 nan 0.000 0.461 187 A N 1.073 123.915 122.820 0.038 0.000 1.873 187 A HA -0.165 3.806 4.320 -0.582 0.000 0.215 187 A C 2.022 179.640 177.584 0.056 0.000 1.186 187 A CA 1.110 53.169 52.037 0.036 0.000 0.616 187 A CB -0.521 18.494 19.000 0.025 0.000 0.823 187 A HN 0.279 nan 8.150 nan 0.000 0.442 188 I N -0.104 120.527 120.570 0.101 0.000 2.179 188 I HA -0.245 3.576 4.170 -0.582 0.000 0.242 188 I C 2.867 179.062 176.117 0.130 0.000 1.088 188 I CA 1.099 62.462 61.300 0.106 0.000 1.357 188 I CB -0.292 37.805 38.000 0.163 0.000 1.051 188 I HN 0.320 nan 8.210 nan 0.000 0.409 189 A N 0.598 123.572 122.820 0.257 0.000 2.070 189 A HA -0.055 3.915 4.320 -0.582 0.000 0.220 189 A C 2.419 180.064 177.584 0.102 0.000 1.159 189 A CA 1.578 53.758 52.037 0.238 0.000 0.656 189 A CB -0.651 18.519 19.000 0.284 0.000 0.800 189 A HN 0.439 nan 8.150 nan 0.000 0.453 190 A N -0.064 122.798 122.820 0.069 0.000 2.119 190 A HA 0.096 4.066 4.320 -0.582 0.000 0.216 190 A C 2.115 179.708 177.584 0.015 0.000 1.152 190 A CA 1.584 53.642 52.037 0.034 0.000 0.708 190 A CB -0.453 18.561 19.000 0.023 0.000 0.805 190 A HN 0.958 nan 8.150 nan 0.000 0.460 191 S N -1.506 114.199 115.700 0.008 0.000 2.554 191 S HA 0.411 4.532 4.470 -0.582 0.000 0.226 191 S C -0.080 174.503 174.600 -0.028 0.000 0.980 191 S CA -0.179 58.014 58.200 -0.013 0.000 0.939 191 S CB 0.048 63.236 63.200 -0.021 0.000 0.832 191 S HN 0.060 nan 8.310 nan 0.000 0.486 192 V N 2.132 122.030 119.914 -0.026 0.000 2.483 192 V HA 0.478 4.249 4.120 -0.582 0.000 0.297 192 V C -0.457 175.619 176.094 -0.030 0.000 1.027 192 V CA -0.854 61.417 62.300 -0.049 0.000 0.855 192 V CB 1.729 33.492 31.823 -0.101 0.000 0.995 192 V HN 0.314 nan 8.190 nan 0.000 0.424 193 R N 5.088 125.570 120.500 -0.031 0.000 2.234 193 R HA 0.450 4.441 4.340 -0.582 0.000 0.324 193 R C -2.453 173.826 176.300 -0.035 0.000 1.054 193 R CA -1.391 54.696 56.100 -0.023 0.000 0.912 193 R CB 0.960 31.249 30.300 -0.019 0.000 1.030 193 R HN 0.456 nan 8.270 nan 0.000 0.455 194 P HA 0.011 nan 4.420 nan 0.000 0.273 194 P C -0.249 177.027 177.300 -0.041 0.000 1.250 194 P CA -0.321 62.754 63.100 -0.041 0.000 0.793 194 P CB 0.581 32.272 31.700 -0.015 0.000 1.011 195 L N 0.269 121.459 121.223 -0.054 0.000 2.476 195 L HA 0.250 4.241 4.340 -0.582 0.000 0.264 195 L C 0.963 177.813 176.870 -0.033 0.000 1.224 195 L CA -0.656 54.156 54.840 -0.047 0.000 0.821 195 L CB -0.149 41.872 42.059 -0.063 0.000 1.101 195 L HN 0.404 nan 8.230 nan 0.000 0.488 196 A N 2.763 125.567 122.820 -0.027 0.000 2.445 196 A HA 0.370 4.341 4.320 -0.582 0.000 0.242 196 A C -2.024 175.549 177.584 -0.019 0.000 1.075 196 A CA -1.001 51.025 52.037 -0.018 0.000 0.777 196 A CB -0.638 18.353 19.000 -0.015 0.000 1.013 196 A HN 0.515 nan 8.150 nan 0.000 0.493 197 P HA 0.218 nan 4.420 nan 0.000 0.269 197 P C -0.010 177.284 177.300 -0.010 0.000 1.215 197 P CA 0.113 63.209 63.100 -0.007 0.000 0.780 197 P CB 0.998 32.701 31.700 0.005 0.000 0.898 198 T N -0.122 114.425 114.554 -0.011 0.000 2.718 198 T HA 0.638 4.638 4.350 -0.582 0.000 0.267 198 T C -0.608 174.095 174.700 0.004 0.000 0.957 198 T CA -0.809 61.284 62.100 -0.011 0.000 1.025 198 T CB 1.096 69.946 68.868 -0.029 0.000 1.355 198 T HN 0.629 nan 8.240 nan 0.000 0.572 199 R N 0.029 120.535 120.500 0.009 0.000 2.808 199 R HA 0.749 4.740 4.340 -0.582 0.000 0.272 199 R C -1.322 174.997 176.300 0.031 0.000 0.995 199 R CA -0.874 55.245 56.100 0.032 0.000 0.917 199 R CB 0.823 31.148 30.300 0.042 0.000 1.217 199 R HN 0.359 nan 8.270 nan 0.000 0.471 200 V N 3.026 122.973 119.914 0.054 0.000 2.673 200 V HA 0.028 3.799 4.120 -0.582 0.000 0.303 200 V C 0.942 177.092 176.094 0.093 0.000 1.046 200 V CA -0.126 62.207 62.300 0.054 0.000 1.126 200 V CB 0.148 32.023 31.823 0.087 0.000 0.934 200 V HN 0.772 nan 8.190 nan 0.000 0.487 201 R N 3.574 124.127 120.500 0.089 0.000 2.679 201 R HA 0.128 4.119 4.340 -0.582 0.000 0.268 201 R C 0.893 177.350 176.300 0.262 0.000 1.044 201 R CA 0.090 56.275 56.100 0.141 0.000 1.105 201 R CB 0.105 30.483 30.300 0.130 0.000 0.989 201 R HN 0.586 nan 8.270 nan 0.000 0.447 202 S N 0.817 116.628 115.700 0.186 0.000 2.387 202 S HA 0.004 4.124 4.470 -0.582 0.000 0.226 202 S C 0.175 174.856 174.600 0.135 0.000 1.026 202 S CA 1.003 59.294 58.200 0.152 0.000 0.972 202 S CB 0.087 63.328 63.200 0.069 0.000 0.814 202 S HN 0.484 nan 8.310 nan 0.000 0.477 203 K N -0.193 120.313 120.400 0.176 0.000 2.527 203 K HA 0.586 4.557 4.320 -0.582 0.000 0.260 203 K C -0.147 176.596 176.600 0.238 0.000 0.937 203 K CA -0.038 56.321 56.287 0.120 0.000 0.826 203 K CB 1.898 34.421 32.500 0.038 0.000 1.359 203 K HN 0.319 nan 8.250 nan 0.000 0.434 204 G N 1.973 110.944 108.800 0.285 0.000 2.479 204 G HA2 -0.083 3.527 3.960 -0.582 0.000 0.686 204 G HA3 -0.083 3.527 3.960 -0.582 0.000 0.686 204 G C -3.160 171.971 174.900 0.385 0.000 1.295 204 G CA -1.214 44.044 45.100 0.262 0.000 0.922 204 G HN 0.285 nan 8.290 nan 0.000 0.582 205 P HA 0.409 nan 4.420 nan 0.000 0.269 205 P C 0.013 177.366 177.300 0.089 0.000 1.209 205 P CA -0.344 62.880 63.100 0.208 0.000 0.776 205 P CB 0.719 32.503 31.700 0.140 0.000 0.876 206 L N 3.997 125.161 121.223 -0.098 0.000 2.326 206 L HA 0.310 4.301 4.340 -0.582 0.000 0.278 206 L C 0.194 177.000 176.870 -0.107 0.000 1.092 206 L CA 0.054 54.688 54.840 -0.343 0.000 0.810 206 L CB 0.378 41.949 42.059 -0.813 0.000 1.153 206 L HN 0.256 nan 8.230 nan 0.000 0.439 207 R N 4.472 124.938 120.500 -0.058 0.000 2.295 207 R HA 0.629 4.620 4.340 -0.582 0.000 0.324 207 R C -1.379 174.967 176.300 0.077 0.000 0.968 207 R CA -0.793 55.354 56.100 0.078 0.000 0.837 207 R CB 1.585 31.919 30.300 0.057 0.000 1.133 207 R HN 0.427 nan 8.270 nan 0.000 0.450 208 V N 1.896 121.919 119.914 0.183 0.000 2.540 208 V HA 0.674 4.445 4.120 -0.582 0.000 0.302 208 V C 0.356 176.575 176.094 0.209 0.000 1.035 208 V CA -0.744 61.642 62.300 0.143 0.000 0.873 208 V CB 2.023 33.950 31.823 0.173 0.000 0.992 208 V HN 0.969 nan 8.190 nan 0.000 0.428 209 G N 2.479 111.340 108.800 0.102 0.000 2.569 209 G HA2 0.832 4.443 3.960 -0.582 0.000 0.300 209 G HA3 0.832 4.443 3.960 -0.582 0.000 0.300 209 G C -1.750 173.218 174.900 0.115 0.000 1.269 209 G CA -0.525 44.773 45.100 0.331 0.000 0.959 209 G HN 0.405 nan 8.290 nan 0.000 0.478 210 F N -0.214 120.125 119.950 0.649 0.000 2.574 210 F HA 0.509 4.687 4.527 -0.583 0.000 0.313 210 F C -0.214 176.069 175.800 0.807 0.000 1.130 210 F CA -0.872 57.574 58.000 0.744 0.000 0.936 210 F CB 2.794 42.228 39.000 0.723 0.000 1.219 210 F HN 0.294 nan 8.300 nan 0.000 0.445 211 V N 2.051 122.495 119.914 0.882 0.000 2.495 211 V HA 0.811 4.582 4.120 -0.582 0.000 0.298 211 V C -0.538 175.814 176.094 0.430 0.000 1.031 211 V CA -0.492 62.222 62.300 0.691 0.000 0.871 211 V CB 1.800 33.993 31.823 0.618 0.000 0.988 211 V HN 0.781 nan 8.190 nan 0.000 0.432 212 S N 2.315 118.098 115.700 0.138 0.000 2.558 212 S HA 0.270 4.391 4.470 -0.582 0.000 0.277 212 S C 0.222 174.657 174.600 -0.274 0.000 1.143 212 S CA -0.526 57.509 58.200 -0.276 0.000 0.865 212 S CB 1.472 64.094 63.200 -0.964 0.000 1.102 212 S HN 0.905 nan 8.310 nan 0.000 0.454 213 N N 2.113 120.683 118.700 -0.216 0.000 2.398 213 N HA 0.114 4.505 4.740 -0.582 0.000 0.188 213 N C 0.861 176.118 175.510 -0.421 0.000 1.122 213 N CA 0.562 53.488 53.050 -0.207 0.000 0.866 213 N CB 0.047 38.474 38.487 -0.100 0.000 0.970 213 N HN 0.571 nan 8.380 nan 0.000 0.462 214 G N -0.219 108.192 108.800 -0.648 0.000 3.805 214 G HA2 0.231 3.842 3.960 -0.582 0.000 0.290 214 G HA3 0.231 3.842 3.960 -0.582 0.000 0.290 214 G C -0.841 173.872 174.900 -0.311 0.000 1.077 214 G CA -0.456 44.187 45.100 -0.762 0.000 0.852 214 G HN 0.082 nan 8.290 nan 0.000 0.531 215 F N 2.081 121.994 119.950 -0.063 0.000 2.567 215 F HA 0.580 4.758 4.527 -0.581 0.000 0.352 215 F C 1.066 176.848 175.800 -0.029 0.000 1.229 215 F CA -0.484 57.500 58.000 -0.027 0.000 1.228 215 F CB 0.639 39.623 39.000 -0.027 0.000 1.568 215 F HN 0.240 nan 8.300 nan 0.000 0.634 216 G N 0.562 109.441 108.800 0.133 0.000 2.356 216 G HA2 0.446 4.056 3.960 -0.582 0.000 0.281 216 G HA3 0.446 4.056 3.960 -0.582 0.000 0.281 216 G C -1.372 173.568 174.900 0.066 0.000 1.246 216 G CA -0.349 44.798 45.100 0.077 0.000 0.889 216 G HN 0.411 nan 8.290 nan 0.000 0.486 217 A N 0.947 123.797 122.820 0.051 0.000 2.981 217 A HA 0.565 4.536 4.320 -0.582 0.000 0.280 217 A C 0.244 177.867 177.584 0.065 0.000 1.797 217 A CA 0.502 52.557 52.037 0.031 0.000 1.456 217 A CB -1.171 17.844 19.000 0.026 0.000 1.057 217 A HN 1.241 nan 8.150 nan 0.000 0.602 218 H N 1.704 120.723 119.070 -0.084 0.000 3.079 218 H HA 0.257 4.463 4.556 -0.583 0.000 0.356 218 H C -2.701 172.545 175.328 -0.136 0.000 1.221 218 H CA -1.167 54.823 56.048 -0.097 0.000 1.185 218 H CB 2.009 31.727 29.762 -0.074 0.000 1.882 218 H HN 0.155 nan 8.280 nan 0.000 0.543 219 P HA -0.149 nan 4.420 nan 0.000 0.217 219 P C 1.269 178.497 177.300 -0.119 0.000 1.151 219 P CA 2.080 65.007 63.100 -0.288 0.000 0.849 219 P CB 0.123 31.583 31.700 -0.400 0.000 0.787 220 T N -1.329 113.294 114.554 0.115 0.000 2.708 220 T HA -0.084 3.917 4.350 -0.582 0.000 0.266 220 T C 1.978 176.705 174.700 0.045 0.000 1.037 220 T CA 1.818 63.946 62.100 0.047 0.000 1.146 220 T CB -1.177 67.718 68.868 0.045 0.000 0.865 220 T HN 0.199 nan 8.240 nan 0.000 0.435 221 G N 1.115 109.979 108.800 0.105 0.000 2.408 221 G HA2 -0.109 3.502 3.960 -0.582 0.000 0.217 221 G HA3 -0.109 3.502 3.960 -0.582 0.000 0.217 221 G C 1.518 176.431 174.900 0.021 0.000 1.150 221 G CA 0.502 45.697 45.100 0.159 0.000 0.776 221 G HN 0.397 nan 8.290 nan 0.000 0.542 222 L N 0.363 121.546 121.223 -0.067 0.000 2.083 222 L HA 0.099 4.090 4.340 -0.582 0.000 0.209 222 L C 2.591 179.343 176.870 -0.196 0.000 1.083 222 L CA 1.374 56.109 54.840 -0.174 0.000 0.752 222 L CB -0.271 41.612 42.059 -0.292 0.000 0.899 222 L HN 0.198 nan 8.230 nan 0.000 0.433 223 L N -1.392 119.715 121.223 -0.194 0.000 2.179 223 L HA -0.077 3.914 4.340 -0.582 0.000 0.208 223 L C 2.100 178.791 176.870 -0.299 0.000 1.096 223 L CA 1.410 56.099 54.840 -0.252 0.000 0.779 223 L CB -0.713 41.182 42.059 -0.273 0.000 0.922 223 L HN 0.472 nan 8.230 nan 0.000 0.443 224 T N -5.254 109.164 114.554 -0.227 0.000 3.022 224 T HA 0.020 4.020 4.350 -0.582 0.000 0.250 224 T C 1.675 176.219 174.700 -0.260 0.000 1.060 224 T CA 0.349 62.242 62.100 -0.344 0.000 1.013 224 T CB 0.091 68.818 68.868 -0.235 0.000 0.982 224 T HN 0.023 nan 8.240 nan 0.000 0.508 225 V N 2.063 121.925 119.914 -0.086 0.000 2.287 225 V HA -0.059 3.712 4.120 -0.582 0.000 0.248 225 V C 2.860 178.901 176.094 -0.088 0.000 1.053 225 V CA 2.286 64.581 62.300 -0.008 0.000 1.027 225 V CB -1.132 30.675 31.823 -0.026 0.000 0.646 225 V HN 0.644 nan 8.190 nan 0.000 0.447 226 A N -0.662 122.048 122.820 -0.183 0.000 1.968 226 A HA -0.062 3.909 4.320 -0.582 0.000 0.217 226 A C 2.065 179.514 177.584 -0.224 0.000 1.169 226 A CA 1.621 53.545 52.037 -0.188 0.000 0.638 226 A CB -0.609 18.258 19.000 -0.222 0.000 0.812 226 A HN 0.563 nan 8.150 nan 0.000 0.446 227 L N -1.077 119.935 121.223 -0.352 0.000 2.012 227 L HA -0.095 3.896 4.340 -0.582 0.000 0.210 227 L C 2.096 178.749 176.870 -0.362 0.000 1.073 227 L CA 2.004 56.580 54.840 -0.439 0.000 0.748 227 L CB -1.016 40.615 42.059 -0.712 0.000 0.891 227 L HN 0.344 nan 8.230 nan 0.000 0.431 228 F N 0.478 120.283 119.950 -0.242 0.000 2.171 228 F HA -0.169 4.008 4.527 -0.583 0.000 0.300 228 F C 2.481 178.190 175.800 -0.151 0.000 1.090 228 F CA 1.574 59.444 58.000 -0.218 0.000 1.293 228 F CB -0.788 38.052 39.000 -0.267 0.000 1.013 228 F HN 0.233 nan 8.300 nan 0.000 0.486 229 E N -0.079 120.137 120.200 0.026 0.000 2.077 229 E HA -0.196 3.805 4.350 -0.582 0.000 0.193 229 E C 2.402 178.989 176.600 -0.021 0.000 0.989 229 E CA 1.141 57.534 56.400 -0.012 0.000 0.800 229 E CB -0.342 29.334 29.700 -0.040 0.000 0.746 229 E HN 0.369 nan 8.360 nan 0.000 0.452 230 A N 0.914 123.705 122.820 -0.049 0.000 1.897 230 A HA -0.102 3.868 4.320 -0.582 0.000 0.215 230 A C 2.168 179.756 177.584 0.007 0.000 1.181 230 A CA 0.769 52.785 52.037 -0.035 0.000 0.620 230 A CB -0.542 18.421 19.000 -0.063 0.000 0.821 230 A HN 0.114 nan 8.150 nan 0.000 0.443 231 L N -0.551 120.681 121.223 0.015 0.000 2.012 231 L HA -0.300 3.691 4.340 -0.582 0.000 0.210 231 L C 2.918 179.832 176.870 0.073 0.000 1.073 231 L CA 2.040 56.925 54.840 0.074 0.000 0.748 231 L CB -0.540 41.590 42.059 0.117 0.000 0.891 231 L HN 0.631 nan 8.230 nan 0.000 0.431 232 Q N 0.071 119.904 119.800 0.054 0.000 2.135 232 Q HA -0.247 3.743 4.340 -0.582 0.000 0.204 232 Q C 2.375 178.392 176.000 0.028 0.000 0.981 232 Q CA 1.600 57.423 55.803 0.034 0.000 0.856 232 Q CB 0.034 28.776 28.738 0.006 0.000 0.902 232 Q HN 0.384 nan 8.270 nan 0.000 0.425 233 R N -0.603 119.911 120.500 0.024 0.000 2.093 233 R HA 0.036 4.027 4.340 -0.582 0.000 0.224 233 R C 2.105 178.427 176.300 0.037 0.000 1.101 233 R CA 1.151 57.265 56.100 0.023 0.000 0.979 233 R CB 0.212 30.519 30.300 0.012 0.000 0.877 233 R HN 0.203 nan 8.270 nan 0.000 0.441 234 R N -0.889 119.640 120.500 0.048 0.000 2.282 234 R HA 0.124 4.114 4.340 -0.582 0.000 0.195 234 R C 0.142 176.487 176.300 0.076 0.000 0.909 234 R CA 0.265 56.402 56.100 0.062 0.000 1.039 234 R CB 0.663 31.003 30.300 0.067 0.000 1.015 234 R HN 0.002 nan 8.270 nan 0.000 0.513 235 Q N 0.836 120.687 119.800 0.085 0.000 2.788 235 Q HA 0.189 4.180 4.340 -0.582 0.000 0.261 235 Q C -2.023 174.033 176.000 0.094 0.000 1.029 235 Q CA -1.594 54.269 55.803 0.099 0.000 0.848 235 Q CB 1.703 30.515 28.738 0.122 0.000 1.185 235 Q HN 0.104 nan 8.270 nan 0.000 0.482 236 P HA -0.107 nan 4.420 nan 0.000 0.220 236 P C 0.057 177.416 177.300 0.098 0.000 1.148 236 P CA 0.932 64.080 63.100 0.079 0.000 0.803 236 P CB 0.538 32.280 31.700 0.070 0.000 0.782 237 D N -0.204 120.272 120.400 0.126 0.000 2.336 237 D HA 0.109 4.400 4.640 -0.582 0.000 0.229 237 D C 0.600 176.980 176.300 0.133 0.000 1.061 237 D CA 0.429 54.531 54.000 0.171 0.000 0.875 237 D CB -0.014 40.941 40.800 0.259 0.000 0.904 237 D HN 0.293 nan 8.370 nan 0.000 0.525 238 L N 0.965 122.246 121.223 0.096 0.000 2.325 238 L HA 0.342 4.332 4.340 -0.582 0.000 0.281 238 L C 0.091 177.018 176.870 0.094 0.000 1.004 238 L CA -0.633 54.250 54.840 0.073 0.000 0.823 238 L CB 1.906 44.024 42.059 0.098 0.000 1.236 238 L HN -0.356 nan 8.230 nan 0.000 0.415 239 Q N 4.121 123.983 119.800 0.103 0.000 2.322 239 Q HA 0.452 4.443 4.340 -0.582 0.000 0.256 239 Q C -0.695 175.397 176.000 0.152 0.000 0.960 239 Q CA -0.445 55.420 55.803 0.104 0.000 0.934 239 Q CB 2.003 30.842 28.738 0.168 0.000 1.200 239 Q HN 0.468 nan 8.270 nan 0.000 0.435 240 M N 2.988 122.625 119.600 0.060 0.000 2.209 240 M HA 0.337 4.467 4.480 -0.582 0.000 0.355 240 M C -0.392 175.847 176.300 -0.103 0.000 1.171 240 M CA -0.089 55.299 55.300 0.146 0.000 1.069 240 M CB 0.845 33.523 32.600 0.129 0.000 1.622 240 M HN 0.483 nan 8.290 nan 0.000 0.459 241 H N 3.270 122.386 119.070 0.077 0.000 2.529 241 H HA 0.503 4.710 4.556 -0.582 0.000 0.348 241 H C -1.232 173.958 175.328 -0.230 0.000 1.079 241 H CA -0.783 55.178 56.048 -0.145 0.000 1.198 241 H CB 2.286 31.935 29.762 -0.189 0.000 1.521 241 H HN 0.409 nan 8.280 nan 0.000 0.514 242 L N 3.685 124.697 121.223 -0.353 0.000 2.322 242 L HA 0.285 4.275 4.340 -0.582 0.000 0.281 242 L C -0.663 176.018 176.870 -0.314 0.000 1.014 242 L CA -0.272 54.349 54.840 -0.364 0.000 0.815 242 L CB 0.659 42.157 42.059 -0.935 0.000 1.247 242 L HN 0.438 nan 8.230 nan 0.000 0.421 243 F N 2.871 123.027 119.950 0.343 0.000 2.308 243 F HA 0.613 4.790 4.527 -0.583 0.000 0.370 243 F C 0.585 176.626 175.800 0.402 0.000 1.100 243 F CA -0.703 57.475 58.000 0.298 0.000 1.108 243 F CB 1.020 40.132 39.000 0.187 0.000 1.293 243 F HN 0.498 nan 8.300 nan 0.000 0.478 244 A N 1.653 124.733 122.820 0.433 0.000 2.276 244 A HA 0.490 4.460 4.320 -0.582 0.000 0.300 244 A C 0.856 178.578 177.584 0.230 0.000 1.235 244 A CA -0.337 51.943 52.037 0.405 0.000 0.867 244 A CB 0.043 19.237 19.000 0.325 0.000 1.137 244 A HN 0.776 nan 8.150 nan 0.000 0.527 245 T N -0.624 114.025 114.554 0.159 0.000 3.186 245 T HA 0.337 4.338 4.350 -0.582 0.000 0.257 245 T C 0.463 175.189 174.700 0.042 0.000 1.029 245 T CA 0.314 62.469 62.100 0.091 0.000 0.916 245 T CB -0.791 68.125 68.868 0.080 0.000 1.041 245 T HN 0.896 nan 8.240 nan 0.000 0.562 246 S N -0.343 115.384 115.700 0.045 0.000 2.568 246 S HA 0.819 4.940 4.470 -0.582 0.000 0.293 246 S C 0.419 175.040 174.600 0.036 0.000 1.089 246 S CA -0.797 57.416 58.200 0.022 0.000 0.945 246 S CB 1.471 64.668 63.200 -0.004 0.000 1.077 246 S HN 0.403 nan 8.310 nan 0.000 0.485 247 G N 0.115 108.927 108.800 0.020 0.000 2.621 247 G HA2 0.342 3.953 3.960 -0.582 0.000 0.271 247 G HA3 0.342 3.953 3.960 -0.582 0.000 0.271 247 G C -0.630 174.281 174.900 0.019 0.000 1.236 247 G CA -0.453 44.657 45.100 0.016 0.000 0.958 247 G HN 0.782 nan 8.290 nan 0.000 0.512 248 D N -0.329 120.078 120.400 0.011 0.000 2.358 248 D HA 0.071 4.362 4.640 -0.582 0.000 0.258 248 D C 0.694 176.999 176.300 0.009 0.000 1.223 248 D CA -0.472 53.533 54.000 0.009 0.000 0.886 248 D CB 1.074 41.873 40.800 -0.002 0.000 1.120 248 D HN 0.323 nan 8.370 nan 0.000 0.482 249 D N 2.458 122.866 120.400 0.014 0.000 2.328 249 D HA 0.131 4.422 4.640 -0.582 0.000 0.221 249 D C 1.405 177.712 176.300 0.011 0.000 1.072 249 D CA 0.276 54.284 54.000 0.014 0.000 0.850 249 D CB -0.202 40.611 40.800 0.021 0.000 0.922 249 D HN 0.563 nan 8.370 nan 0.000 0.516 250 G N 0.420 109.224 108.800 0.007 0.000 2.162 250 G HA2 -0.287 3.323 3.960 -0.582 0.000 0.260 250 G HA3 -0.287 3.323 3.960 -0.582 0.000 0.260 250 G C 0.361 175.266 174.900 0.008 0.000 0.976 250 G CA 0.516 45.619 45.100 0.005 0.000 0.655 250 G HN 0.843 nan 8.290 nan 0.000 0.533 251 S N -0.946 114.760 115.700 0.011 0.000 2.610 251 S HA 0.625 4.746 4.470 -0.582 0.000 0.273 251 S C 1.383 175.987 174.600 0.006 0.000 1.274 251 S CA 0.737 58.944 58.200 0.013 0.000 1.023 251 S CB 1.743 64.955 63.200 0.020 0.000 0.962 251 S HN 0.366 nan 8.310 nan 0.000 0.523 252 T N 2.309 116.867 114.554 0.008 0.000 2.821 252 T HA -0.030 3.971 4.350 -0.582 0.000 0.267 252 T C 1.694 176.391 174.700 -0.006 0.000 1.046 252 T CA 1.254 63.354 62.100 0.000 0.000 1.139 252 T CB -0.557 68.315 68.868 0.006 0.000 0.871 252 T HN 0.525 nan 8.240 nan 0.000 0.454 253 L N 0.644 121.866 121.223 -0.001 0.000 1.989 253 L HA -0.161 3.829 4.340 -0.582 0.000 0.211 253 L C 2.849 179.718 176.870 -0.001 0.000 1.071 253 L CA 1.430 56.268 54.840 -0.003 0.000 0.749 253 L CB -0.403 41.657 42.059 0.002 0.000 0.890 253 L HN 0.126 nan 8.230 nan 0.000 0.431 254 R N -0.045 120.461 120.500 0.009 0.000 2.091 254 R HA -0.150 3.841 4.340 -0.582 0.000 0.238 254 R C 2.147 178.426 176.300 -0.035 0.000 1.136 254 R CA 2.314 58.416 56.100 0.004 0.000 0.959 254 R CB -0.967 29.343 30.300 0.016 0.000 0.856 254 R HN 0.247 nan 8.270 nan 0.000 0.437 255 T N 0.378 114.913 114.554 -0.032 0.000 2.746 255 T HA -0.072 3.929 4.350 -0.582 0.000 0.267 255 T C 1.802 176.465 174.700 -0.062 0.000 1.039 255 T CA 1.593 63.666 62.100 -0.046 0.000 1.142 255 T CB -0.184 68.665 68.868 -0.032 0.000 0.866 255 T HN 0.318 nan 8.240 nan 0.000 0.444 256 R N 0.518 120.986 120.500 -0.053 0.000 2.073 256 R HA 0.031 4.022 4.340 -0.582 0.000 0.234 256 R C 2.479 178.721 176.300 -0.096 0.000 1.134 256 R CA 1.117 57.181 56.100 -0.061 0.000 0.952 256 R CB -0.627 29.646 30.300 -0.044 0.000 0.850 256 R HN 0.339 nan 8.270 nan 0.000 0.433 257 L N 0.119 121.274 121.223 -0.114 0.000 2.042 257 L HA -0.217 3.774 4.340 -0.582 0.000 0.210 257 L C 2.647 179.350 176.870 -0.278 0.000 1.076 257 L CA 1.466 56.173 54.840 -0.223 0.000 0.749 257 L CB -0.575 41.338 42.059 -0.244 0.000 0.893 257 L HN 0.284 nan 8.230 nan 0.000 0.432 258 A N 0.053 122.749 122.820 -0.206 0.000 1.969 258 A HA -0.206 3.765 4.320 -0.582 0.000 0.218 258 A C 2.220 179.695 177.584 -0.181 0.000 1.169 258 A CA 1.476 53.390 52.037 -0.205 0.000 0.635 258 A CB -0.436 18.475 19.000 -0.148 0.000 0.810 258 A HN 0.660 nan 8.150 nan 0.000 0.445 259 Q N -1.410 118.306 119.800 -0.141 0.000 2.424 259 Q HA 0.336 4.327 4.340 -0.582 0.000 0.204 259 Q C 1.502 177.429 176.000 -0.122 0.000 0.933 259 Q CA 0.820 56.553 55.803 -0.116 0.000 0.929 259 Q CB -0.171 28.518 28.738 -0.081 0.000 1.037 259 Q HN 0.448 nan 8.270 nan 0.000 0.511 260 A N 0.929 123.661 122.820 -0.147 0.000 2.275 260 A HA 0.239 4.210 4.320 -0.582 0.000 0.212 260 A C 0.739 178.209 177.584 -0.189 0.000 1.201 260 A CA 0.412 52.371 52.037 -0.131 0.000 0.843 260 A CB 0.277 19.227 19.000 -0.083 0.000 0.873 260 A HN 0.460 nan 8.150 nan 0.000 0.492 261 S N -2.514 113.022 115.700 -0.272 0.000 2.672 261 S HA 0.493 4.614 4.470 -0.582 0.000 0.271 261 S C -0.664 173.723 174.600 -0.355 0.000 1.171 261 S CA -0.483 57.510 58.200 -0.346 0.000 0.817 261 S CB 0.804 63.680 63.200 -0.540 0.000 1.150 261 S HN -0.019 nan 8.310 nan 0.000 0.478 262 T N 1.974 116.264 114.554 -0.440 0.000 2.747 262 T HA 0.446 4.447 4.350 -0.582 0.000 0.301 262 T C -0.418 173.995 174.700 -0.478 0.000 0.952 262 T CA -0.278 61.540 62.100 -0.469 0.000 0.983 262 T CB -0.171 68.347 68.868 -0.584 0.000 0.930 262 T HN 0.546 nan 8.240 nan 0.000 0.494 263 L N 5.620 126.586 121.223 -0.427 0.000 2.275 263 L HA 0.435 4.426 4.340 -0.582 0.000 0.288 263 L C -0.337 176.342 176.870 -0.320 0.000 1.046 263 L CA -0.633 53.995 54.840 -0.353 0.000 0.805 263 L CB 0.436 42.314 42.059 -0.302 0.000 1.193 263 L HN 0.646 nan 8.230 nan 0.000 0.426 264 H N 3.308 122.247 119.070 -0.219 0.000 2.511 264 H HA 0.190 4.397 4.556 -0.582 0.000 0.328 264 H C -1.257 174.077 175.328 0.010 0.000 1.044 264 H CA -0.860 55.148 56.048 -0.066 0.000 1.212 264 H CB 1.946 31.735 29.762 0.045 0.000 1.428 264 H HN 0.534 nan 8.280 nan 0.000 0.483 265 D N 3.746 124.203 120.400 0.096 0.000 2.339 265 D HA 0.062 4.352 4.640 -0.582 0.000 0.241 265 D C 0.765 177.101 176.300 0.060 0.000 1.183 265 D CA -0.487 53.560 54.000 0.078 0.000 0.859 265 D CB 0.963 41.781 40.800 0.030 0.000 1.067 265 D HN 0.393 nan 8.370 nan 0.000 0.484 266 V N 1.243 121.210 119.914 0.090 0.000 3.214 266 V HA 0.161 3.932 4.120 -0.582 0.000 0.330 266 V C 1.567 177.670 176.094 0.016 0.000 1.403 266 V CA -0.190 62.133 62.300 0.037 0.000 1.143 266 V CB -0.210 31.667 31.823 0.091 0.000 1.098 266 V HN 0.397 nan 8.190 nan 0.000 0.463 267 T N 1.871 116.437 114.554 0.021 0.000 2.737 267 T HA -0.139 3.862 4.350 -0.582 0.000 0.269 267 T C 1.813 176.495 174.700 -0.029 0.000 1.040 267 T CA 2.373 64.473 62.100 0.001 0.000 1.142 267 T CB -0.175 68.695 68.868 0.003 0.000 0.861 267 T HN 0.818 nan 8.240 nan 0.000 0.456 268 A N 0.236 123.035 122.820 -0.034 0.000 2.251 268 A HA 0.419 4.390 4.320 -0.582 0.000 0.209 268 A C 0.715 178.262 177.584 -0.061 0.000 1.187 268 A CA 0.001 52.010 52.037 -0.047 0.000 0.823 268 A CB -0.174 18.802 19.000 -0.040 0.000 0.846 268 A HN 0.423 nan 8.150 nan 0.000 0.486 269 L N -0.260 120.923 121.223 -0.068 0.000 2.343 269 L HA 0.518 4.509 4.340 -0.582 0.000 0.275 269 L C 1.192 177.996 176.870 -0.110 0.000 1.056 269 L CA -0.786 54.007 54.840 -0.077 0.000 0.804 269 L CB 1.311 43.328 42.059 -0.071 0.000 1.203 269 L HN 0.305 nan 8.230 nan 0.000 0.440 270 G N -0.417 108.312 108.800 -0.118 0.000 2.611 270 G HA2 0.061 3.672 3.960 -0.582 0.000 0.273 270 G HA3 0.061 3.672 3.960 -0.582 0.000 0.273 270 G C 0.595 175.393 174.900 -0.170 0.000 1.305 270 G CA -0.066 44.917 45.100 -0.194 0.000 1.010 270 G HN 0.823 nan 8.290 nan 0.000 0.509 271 H N -1.171 117.861 119.070 -0.064 0.000 2.321 271 H HA -0.111 4.094 4.556 -0.586 0.000 0.300 271 H C 2.366 177.635 175.328 -0.099 0.000 1.087 271 H CA 1.440 57.435 56.048 -0.087 0.000 1.319 271 H CB -0.009 29.694 29.762 -0.098 0.000 1.379 271 H HN 0.230 nan 8.280 nan 0.000 0.501 272 L N 0.767 122.018 121.223 0.046 0.000 2.027 272 L HA -0.046 3.945 4.340 -0.582 0.000 0.206 272 L C 2.371 179.224 176.870 -0.028 0.000 1.074 272 L CA 1.786 56.620 54.840 -0.011 0.000 0.745 272 L CB -0.912 41.140 42.059 -0.012 0.000 0.898 272 L HN 0.253 nan 8.230 nan 0.000 0.433 273 A N -1.777 121.027 122.820 -0.027 0.000 1.969 273 A HA -0.164 3.807 4.320 -0.582 0.000 0.218 273 A C 2.237 179.815 177.584 -0.010 0.000 1.169 273 A CA 2.078 54.102 52.037 -0.022 0.000 0.635 273 A CB -1.101 17.880 19.000 -0.032 0.000 0.810 273 A HN 0.509 nan 8.150 nan 0.000 0.445 274 T N 0.271 114.806 114.554 -0.031 0.000 2.708 274 T HA -0.025 3.976 4.350 -0.582 0.000 0.266 274 T C 2.268 176.910 174.700 -0.096 0.000 1.037 274 T CA 1.598 63.676 62.100 -0.037 0.000 1.146 274 T CB -0.460 68.380 68.868 -0.046 0.000 0.865 274 T HN 0.596 nan 8.240 nan 0.000 0.435 275 A N 1.701 124.443 122.820 -0.130 0.000 1.908 275 A HA -0.156 3.814 4.320 -0.582 0.000 0.218 275 A C 2.256 179.753 177.584 -0.144 0.000 1.181 275 A CA 1.681 53.602 52.037 -0.194 0.000 0.627 275 A CB -0.443 18.453 19.000 -0.173 0.000 0.818 275 A HN 0.455 nan 8.150 nan 0.000 0.445 276 K N -1.771 118.588 120.400 -0.068 0.000 2.097 276 K HA -0.149 3.822 4.320 -0.582 0.000 0.205 276 K C 2.064 178.672 176.600 0.014 0.000 1.050 276 K CA 1.448 57.716 56.287 -0.032 0.000 0.938 276 K CB -0.281 32.211 32.500 -0.014 0.000 0.718 276 K HN 0.725 nan 8.250 nan 0.000 0.442 277 H N 1.116 120.153 119.070 -0.054 0.000 2.321 277 H HA -0.036 4.171 4.556 -0.581 0.000 0.300 277 H C 1.794 177.136 175.328 0.023 0.000 1.087 277 H CA 1.700 57.765 56.048 0.029 0.000 1.319 277 H CB -0.053 29.744 29.762 0.058 0.000 1.379 277 H HN 0.058 nan 8.280 nan 0.000 0.501 278 I N -0.150 120.258 120.570 -0.271 0.000 2.163 278 I HA -0.266 3.555 4.170 -0.582 0.000 0.243 278 I C 2.628 178.582 176.117 -0.272 0.000 1.085 278 I CA 1.583 62.544 61.300 -0.565 0.000 1.347 278 I CB -0.246 37.270 38.000 -0.806 0.000 1.044 278 I HN 0.201 nan 8.210 nan 0.000 0.408 279 R N 0.612 120.997 120.500 -0.193 0.000 2.096 279 R HA -0.252 3.739 4.340 -0.582 0.000 0.235 279 R C 2.341 178.570 176.300 -0.118 0.000 1.127 279 R CA 1.810 57.829 56.100 -0.136 0.000 0.968 279 R CB -0.797 29.441 30.300 -0.104 0.000 0.861 279 R HN 0.453 nan 8.270 nan 0.000 0.440 280 H N -0.955 117.995 119.070 -0.199 0.000 2.422 280 H HA -0.109 4.098 4.556 -0.582 0.000 0.298 280 H C 1.007 176.115 175.328 -0.368 0.000 1.098 280 H CA 2.323 58.215 56.048 -0.260 0.000 1.315 280 H CB -0.131 29.459 29.762 -0.286 0.000 1.382 280 H HN 0.503 nan 8.280 nan 0.000 0.523 281 H N -1.138 117.789 119.070 -0.240 0.000 2.539 281 H HA 0.192 4.398 4.556 -0.583 0.000 0.267 281 H C 1.370 176.558 175.328 -0.234 0.000 0.982 281 H CA 0.575 56.475 56.048 -0.247 0.000 1.146 281 H CB 0.295 29.916 29.762 -0.235 0.000 1.382 281 H HN 0.582 nan 8.280 nan 0.000 0.577 282 G N 1.143 109.858 108.800 -0.142 0.000 2.249 282 G HA2 -0.270 3.341 3.960 -0.582 0.000 0.273 282 G HA3 -0.270 3.341 3.960 -0.582 0.000 0.273 282 G C -0.045 174.805 174.900 -0.084 0.000 1.036 282 G CA -0.012 45.022 45.100 -0.109 0.000 0.824 282 G HN 0.222 nan 8.290 nan 0.000 0.504 283 I N 0.920 121.435 120.570 -0.091 0.000 2.741 283 I HA 0.040 3.861 4.170 -0.582 0.000 0.288 283 I C 1.159 177.236 176.117 -0.067 0.000 1.192 283 I CA 0.161 61.422 61.300 -0.064 0.000 1.426 283 I CB 0.353 38.324 38.000 -0.048 0.000 1.367 283 I HN 0.200 nan 8.210 nan 0.000 0.563 284 D N 5.894 126.255 120.400 -0.065 0.000 2.197 284 D HA 0.109 4.399 4.640 -0.582 0.000 0.212 284 D C 0.514 176.758 176.300 -0.093 0.000 0.963 284 D CA 1.074 55.022 54.000 -0.086 0.000 0.864 284 D CB 0.567 41.286 40.800 -0.134 0.000 1.009 284 D HN 0.345 nan 8.370 nan 0.000 0.479 285 L N 1.120 122.301 121.223 -0.070 0.000 2.362 285 L HA 0.495 4.486 4.340 -0.582 0.000 0.275 285 L C -1.023 175.849 176.870 0.004 0.000 0.998 285 L CA -0.894 53.905 54.840 -0.069 0.000 0.820 285 L CB 2.640 44.666 42.059 -0.054 0.000 1.270 285 L HN -0.122 nan 8.230 nan 0.000 0.415 286 L N 2.861 124.075 121.223 -0.015 0.000 2.409 286 L HA 0.591 4.582 4.340 -0.582 0.000 0.272 286 L C -1.375 175.626 176.870 0.220 0.000 0.980 286 L CA 0.111 55.030 54.840 0.132 0.000 0.826 286 L CB 1.695 43.802 42.059 0.080 0.000 1.268 286 L HN 0.250 nan 8.230 nan 0.000 0.407 287 F N 2.905 122.983 119.950 0.212 0.000 2.421 287 F HA 0.360 4.537 4.527 -0.583 0.000 0.337 287 F C 0.360 176.481 175.800 0.536 0.000 1.105 287 F CA -0.435 57.779 58.000 0.357 0.000 1.049 287 F CB 1.399 40.634 39.000 0.392 0.000 1.139 287 F HN 0.439 nan 8.300 nan 0.000 0.479 288 D N 3.994 124.613 120.400 0.364 0.000 2.380 288 D HA 0.218 4.509 4.640 -0.582 0.000 0.230 288 D C -0.373 176.111 176.300 0.307 0.000 1.154 288 D CA -0.085 53.924 54.000 0.016 0.000 0.859 288 D CB 0.939 41.376 40.800 -0.605 0.000 1.045 288 D HN 0.326 nan 8.370 nan 0.000 0.495 289 L N 4.399 125.859 121.223 0.395 0.000 3.062 289 L HA 0.312 4.303 4.340 -0.582 0.000 0.255 289 L C 1.923 178.894 176.870 0.168 0.000 1.274 289 L CA -0.028 54.996 54.840 0.307 0.000 1.047 289 L CB 0.079 42.358 42.059 0.366 0.000 1.402 289 L HN 0.267 nan 8.230 nan 0.000 0.550 290 R N -0.244 120.373 120.500 0.195 0.000 2.075 290 R HA 0.247 4.238 4.340 -0.582 0.000 0.226 290 R C 1.368 177.771 176.300 0.171 0.000 1.114 290 R CA 0.953 57.175 56.100 0.204 0.000 0.972 290 R CB 0.039 30.524 30.300 0.310 0.000 0.869 290 R HN 0.407 nan 8.270 nan 0.000 0.437 291 G N -1.678 107.218 108.800 0.160 0.000 2.168 291 G HA2 -0.180 3.430 3.960 -0.582 0.000 0.197 291 G HA3 -0.180 3.430 3.960 -0.582 0.000 0.197 291 G C 0.179 175.015 174.900 -0.106 0.000 0.997 291 G CA -0.121 45.002 45.100 0.038 0.000 0.658 291 G HN 0.388 nan 8.290 nan 0.000 0.513 292 W N 0.261 121.627 121.300 0.111 0.000 2.940 292 W HA 0.448 4.764 4.660 -0.573 0.000 0.297 292 W C 1.899 178.240 176.519 -0.296 0.000 1.149 292 W CA 0.968 58.315 57.345 0.003 0.000 1.564 292 W CB 0.492 29.943 29.460 -0.014 0.000 1.010 292 W HN 1.021 nan 8.180 nan 0.000 0.578 293 G N 1.366 110.046 108.800 -0.198 0.000 2.596 293 G HA2 -0.400 3.211 3.960 -0.582 0.000 0.304 293 G HA3 -0.400 3.211 3.960 -0.582 0.000 0.304 293 G C 1.194 175.976 174.900 -0.195 0.000 1.189 293 G CA 0.639 45.404 45.100 -0.558 0.000 0.986 293 G HN 0.473 nan 8.290 nan 0.000 0.548 294 G N 0.928 109.573 108.800 -0.259 0.000 2.572 294 G HA2 0.480 4.091 3.960 -0.582 0.000 0.216 294 G HA3 0.480 4.091 3.960 -0.582 0.000 0.216 294 G C 0.989 175.947 174.900 0.097 0.000 1.133 294 G CA 1.655 46.721 45.100 -0.056 0.000 0.791 294 G HN 1.549 nan 8.290 nan 0.000 0.538 295 G N -1.899 106.948 108.800 0.079 0.000 3.008 295 G HA2 0.485 4.096 3.960 -0.582 0.000 0.181 295 G HA3 0.485 4.096 3.960 -0.582 0.000 0.181 295 G C 0.961 175.920 174.900 0.098 0.000 1.309 295 G CA -0.171 45.001 45.100 0.119 0.000 1.009 295 G HN 1.161 nan 8.290 nan 0.000 0.584 296 G N -1.145 107.605 108.800 -0.084 0.000 2.179 296 G HA2 -0.246 3.365 3.960 -0.582 0.000 0.257 296 G HA3 -0.246 3.365 3.960 -0.582 0.000 0.257 296 G C 0.509 175.172 174.900 -0.396 0.000 1.010 296 G CA 0.787 45.535 45.100 -0.588 0.000 0.736 296 G HN 1.300 nan 8.290 nan 0.000 0.513 297 R N -2.221 118.159 120.500 -0.199 0.000 3.076 297 R HA -0.158 3.833 4.340 -0.582 0.000 0.261 297 R C -1.925 174.281 176.300 -0.157 0.000 0.930 297 R CA 0.809 56.800 56.100 -0.181 0.000 0.649 297 R CB -1.100 29.134 30.300 -0.111 0.000 1.350 297 R HN 0.470 nan 8.270 nan 0.000 0.453 298 P HA 0.086 nan 4.420 nan 0.000 0.249 298 P C 0.004 177.124 177.300 -0.299 0.000 1.583 298 P CA 0.024 63.095 63.100 -0.048 0.000 0.988 298 P CB 0.612 32.381 31.700 0.114 0.000 1.530 299 E N -0.116 119.811 120.200 -0.455 0.000 2.209 299 E HA -0.122 3.879 4.350 -0.582 0.000 0.196 299 E C 1.940 178.290 176.600 -0.417 0.000 0.993 299 E CA 1.007 57.071 56.400 -0.559 0.000 0.819 299 E CB -0.838 28.387 29.700 -0.791 0.000 0.745 299 E HN 0.060 nan 8.360 nan 0.000 0.477 300 V N 0.045 119.805 119.914 -0.257 0.000 2.332 300 V HA -0.255 3.516 4.120 -0.582 0.000 0.248 300 V C 1.704 177.537 176.094 -0.436 0.000 1.055 300 V CA 1.722 63.871 62.300 -0.251 0.000 1.038 300 V CB -0.447 31.271 31.823 -0.175 0.000 0.651 300 V HN 0.253 nan 8.190 nan 0.000 0.450 301 F N 0.472 120.183 119.950 -0.398 0.000 2.206 301 F HA 0.004 4.180 4.527 -0.584 0.000 0.298 301 F C 2.413 177.672 175.800 -0.903 0.000 1.090 301 F CA 1.158 58.848 58.000 -0.517 0.000 1.323 301 F CB -0.791 37.992 39.000 -0.362 0.000 1.028 301 F HN 0.079 nan 8.300 nan 0.000 0.492 302 A N -0.216 121.891 122.820 -1.189 0.000 2.131 302 A HA -0.126 3.845 4.320 -0.582 0.000 0.220 302 A C 2.046 179.412 177.584 -0.362 0.000 1.158 302 A CA 1.227 52.671 52.037 -0.988 0.000 0.665 302 A CB -0.965 17.454 19.000 -0.970 0.000 0.795 302 A HN 0.451 nan 8.150 nan 0.000 0.460 303 L N -1.717 119.309 121.223 -0.328 0.000 2.558 303 L HA 0.102 4.093 4.340 -0.582 0.000 0.225 303 L C 0.370 177.153 176.870 -0.147 0.000 1.128 303 L CA -0.162 54.560 54.840 -0.197 0.000 0.868 303 L CB -0.028 41.915 42.059 -0.194 0.000 1.006 303 L HN 0.338 nan 8.230 nan 0.000 0.454 304 R N -0.819 119.591 120.500 -0.149 0.000 3.209 304 R HA -0.147 3.844 4.340 -0.582 0.000 0.252 304 R C -1.845 174.385 176.300 -0.117 0.000 0.958 304 R CA 0.326 56.378 56.100 -0.080 0.000 0.651 304 R CB -1.442 28.855 30.300 -0.005 0.000 1.142 304 R HN 0.270 nan 8.270 nan 0.000 0.441 305 P HA -0.065 nan 4.420 nan 0.000 0.226 305 P C 0.208 177.413 177.300 -0.160 0.000 1.153 305 P CA 1.349 64.331 63.100 -0.196 0.000 0.777 305 P CB 0.417 31.940 31.700 -0.295 0.000 0.794 306 A N 0.613 123.351 122.820 -0.137 0.000 2.365 306 A HA 0.570 4.541 4.320 -0.582 0.000 0.318 306 A C -1.891 175.662 177.584 -0.053 0.000 1.091 306 A CA -1.744 50.235 52.037 -0.096 0.000 0.763 306 A CB 1.161 20.105 19.000 -0.093 0.000 1.248 306 A HN -0.159 nan 8.150 nan 0.000 0.442 307 P HA 0.015 nan 4.420 nan 0.000 0.223 307 P C 0.067 177.328 177.300 -0.065 0.000 1.151 307 P CA 0.915 63.994 63.100 -0.034 0.000 0.787 307 P CB 0.137 31.823 31.700 -0.023 0.000 0.788 308 V N 0.995 120.850 119.914 -0.099 0.000 2.531 308 V HA 0.289 4.060 4.120 -0.582 0.000 0.301 308 V C -0.261 175.809 176.094 -0.039 0.000 1.034 308 V CA -0.552 61.678 62.300 -0.117 0.000 0.865 308 V CB 1.976 33.639 31.823 -0.267 0.000 0.995 308 V HN -0.043 nan 8.190 nan 0.000 0.424 309 Q N 3.307 123.132 119.800 0.041 0.000 2.353 309 Q HA 0.781 4.771 4.340 -0.582 0.000 0.268 309 Q C -1.459 174.562 176.000 0.036 0.000 1.045 309 Q CA -0.759 55.103 55.803 0.098 0.000 0.811 309 Q CB 3.141 32.054 28.738 0.293 0.000 1.305 309 Q HN 0.558 nan 8.270 nan 0.000 0.447 310 V N 2.130 121.969 119.914 -0.124 0.000 2.588 310 V HA 0.312 4.083 4.120 -0.582 0.000 0.304 310 V C -0.559 175.510 176.094 -0.042 0.000 1.042 310 V CA -1.021 61.156 62.300 -0.206 0.000 0.877 310 V CB 1.919 33.257 31.823 -0.809 0.000 0.996 310 V HN 0.710 nan 8.190 nan 0.000 0.425 311 N N 3.484 122.247 118.700 0.105 0.000 2.419 311 N HA 0.372 4.763 4.740 -0.582 0.000 0.264 311 N C -1.383 174.388 175.510 0.434 0.000 1.031 311 N CA -0.295 52.879 53.050 0.206 0.000 0.951 311 N CB 1.123 39.698 38.487 0.147 0.000 1.101 311 N HN 0.746 nan 8.380 nan 0.000 0.488 312 W N 5.756 127.260 121.300 0.340 0.000 3.256 312 W HA 0.450 4.761 4.660 -0.581 0.000 0.324 312 W C 0.155 176.949 176.519 0.459 0.000 1.196 312 W CA -0.810 56.810 57.345 0.459 0.000 1.206 312 W CB 0.284 30.179 29.460 0.725 0.000 1.385 312 W HN 0.529 nan 8.180 nan 0.000 0.522 313 L N 3.562 124.796 121.223 0.018 0.000 3.159 313 L HA -0.403 3.588 4.340 -0.582 0.000 0.370 313 L C 1.515 178.500 176.870 0.192 0.000 1.458 313 L CA 3.983 58.748 54.840 -0.125 0.000 3.093 313 L CB -1.936 39.511 42.059 -1.019 0.000 1.152 313 L HN 0.873 nan 8.230 nan 0.000 0.779 314 A N -2.030 120.881 122.820 0.152 0.000 1.930 314 A HA 0.084 4.055 4.320 -0.582 0.000 0.215 314 A C 0.927 178.685 177.584 0.289 0.000 1.176 314 A CA 1.439 53.592 52.037 0.192 0.000 0.632 314 A CB -0.348 18.749 19.000 0.161 0.000 0.819 314 A HN 0.698 nan 8.150 nan 0.000 0.445 315 Y N 1.429 121.826 120.300 0.162 0.000 2.356 315 Y HA 0.494 4.695 4.550 -0.581 0.000 0.334 315 Y C -2.601 173.316 175.900 0.028 0.000 0.958 315 Y CA -3.111 55.072 58.100 0.138 0.000 1.196 315 Y CB 1.713 40.238 38.460 0.108 0.000 1.137 315 Y HN 0.032 nan 8.280 nan 0.000 0.485 316 P HA 0.371 nan 4.420 nan 0.000 0.219 316 P C -0.278 176.563 177.300 -0.765 0.000 1.832 316 P CA 0.375 63.160 63.100 -0.525 0.000 1.014 316 P CB 0.258 31.955 31.700 -0.006 0.000 1.939 317 G N -0.658 107.690 108.800 -0.752 0.000 2.430 317 G HA2 0.288 3.898 3.960 -0.582 0.000 0.300 317 G HA3 0.288 3.898 3.960 -0.582 0.000 0.300 317 G C -1.470 173.414 174.900 -0.026 0.000 1.330 317 G CA -0.434 44.432 45.100 -0.390 0.000 0.813 317 G HN 0.117 nan 8.290 nan 0.000 0.487 318 T N -0.565 113.841 114.554 -0.246 0.000 2.913 318 T HA 0.413 4.413 4.350 -0.582 0.000 0.297 318 T C 1.965 176.667 174.700 0.002 0.000 1.029 318 T CA 0.847 62.813 62.100 -0.222 0.000 1.104 318 T CB 0.826 69.358 68.868 -0.559 0.000 0.964 318 T HN 1.383 nan 8.240 nan 0.000 0.532 319 S N 3.093 118.767 115.700 -0.044 0.000 2.406 319 S HA 0.153 4.274 4.470 -0.582 0.000 0.228 319 S C 1.897 176.348 174.600 -0.250 0.000 1.020 319 S CA 0.925 59.022 58.200 -0.171 0.000 0.965 319 S CB -0.760 62.326 63.200 -0.190 0.000 0.798 319 S HN 1.758 nan 8.310 nan 0.000 0.488 320 G N 0.977 109.640 108.800 -0.229 0.000 2.153 320 G HA2 -0.062 3.549 3.960 -0.582 0.000 0.252 320 G HA3 -0.062 3.549 3.960 -0.582 0.000 0.252 320 G C 0.113 174.805 174.900 -0.348 0.000 0.994 320 G CA 0.180 45.140 45.100 -0.234 0.000 0.698 320 G HN 1.364 nan 8.290 nan 0.000 0.521 321 A N 0.051 122.559 122.820 -0.521 0.000 2.305 321 A HA 0.845 4.816 4.320 -0.582 0.000 0.322 321 A C -0.469 176.683 177.584 -0.719 0.000 1.187 321 A CA -1.047 50.409 52.037 -0.967 0.000 0.825 321 A CB 1.324 19.222 19.000 -1.837 0.000 1.164 321 A HN 0.019 nan 8.150 nan 0.000 0.498 322 P HA -0.082 nan 4.420 nan 0.000 0.226 322 P C 0.612 177.864 177.300 -0.080 0.000 1.153 322 P CA 1.104 64.078 63.100 -0.210 0.000 0.777 322 P CB -0.055 31.615 31.700 -0.049 0.000 0.794 323 W N -2.550 118.749 121.300 -0.001 0.000 3.278 323 W HA 0.536 4.846 4.660 -0.583 0.000 0.308 323 W C 0.174 176.709 176.519 0.027 0.000 1.253 323 W CA -0.629 56.727 57.345 0.019 0.000 1.759 323 W CB -0.917 28.572 29.460 0.048 0.000 1.093 323 W HN -0.278 nan 8.180 nan 0.000 0.648 324 M N 2.901 122.463 119.600 -0.062 0.000 2.066 324 M HA 0.241 4.372 4.480 -0.582 0.000 0.340 324 M C 0.664 176.925 176.300 -0.066 0.000 1.053 324 M CA -0.082 55.217 55.300 -0.003 0.000 0.983 324 M CB 0.890 33.417 32.600 -0.122 0.000 1.520 324 M HN -0.010 nan 8.290 nan 0.000 0.428 325 D N 3.631 123.995 120.400 -0.060 0.000 2.137 325 D HA -0.037 4.254 4.640 -0.582 0.000 0.202 325 D C -0.428 175.575 176.300 -0.496 0.000 0.970 325 D CA 1.506 55.334 54.000 -0.286 0.000 0.837 325 D CB 0.187 40.831 40.800 -0.259 0.000 0.981 325 D HN 0.465 nan 8.370 nan 0.000 0.475 326 Y N -0.728 119.577 120.300 0.009 0.000 2.576 326 Y HA 0.453 4.654 4.550 -0.582 0.000 0.346 326 Y C -0.308 175.612 175.900 0.033 0.000 1.018 326 Y CA -1.056 57.066 58.100 0.037 0.000 1.050 326 Y CB 2.376 40.835 38.460 -0.002 0.000 1.280 326 Y HN -0.361 nan 8.280 nan 0.000 0.474 327 V N 3.595 123.641 119.914 0.219 0.000 2.680 327 V HA 0.607 4.378 4.120 -0.582 0.000 0.309 327 V C -1.704 174.492 176.094 0.168 0.000 1.052 327 V CA -0.876 61.527 62.300 0.172 0.000 0.908 327 V CB 1.841 33.734 31.823 0.116 0.000 1.001 327 V HN 0.621 nan 8.190 nan 0.000 0.431 328 L N 6.926 128.303 121.223 0.256 0.000 2.280 328 L HA 0.913 4.903 4.340 -0.582 0.000 0.287 328 L C 0.344 177.447 176.870 0.389 0.000 1.023 328 L CA 0.973 55.980 54.840 0.278 0.000 0.819 328 L CB 0.757 42.965 42.059 0.248 0.000 1.212 328 L HN 0.809 nan 8.230 nan 0.000 0.420 329 G N 3.111 112.073 108.800 0.270 0.000 3.211 329 G HA2 0.675 4.285 3.960 -0.582 0.000 0.167 329 G HA3 0.675 4.285 3.960 -0.582 0.000 0.167 329 G C -1.428 173.671 174.900 0.331 0.000 1.212 329 G CA 0.081 45.388 45.100 0.345 0.000 0.928 329 G HN 0.653 nan 8.290 nan 0.000 0.607 330 D N -3.333 117.223 120.400 0.260 0.000 2.643 330 D HA 0.525 4.816 4.640 -0.582 0.000 0.283 330 D C 0.652 177.066 176.300 0.190 0.000 1.242 330 D CA 0.107 54.243 54.000 0.227 0.000 0.863 330 D CB 1.057 42.011 40.800 0.256 0.000 1.382 330 D HN 0.647 nan 8.370 nan 0.000 0.444 331 A N -0.530 122.428 122.820 0.229 0.000 2.119 331 A HA 0.080 4.051 4.320 -0.582 0.000 0.217 331 A C 1.460 179.095 177.584 0.086 0.000 1.153 331 A CA 0.800 52.923 52.037 0.144 0.000 0.692 331 A CB -0.885 18.206 19.000 0.152 0.000 0.799 331 A HN 0.486 nan 8.150 nan 0.000 0.458 332 F N -0.393 119.567 119.950 0.016 0.000 2.343 332 F HA 0.333 4.511 4.527 -0.583 0.000 0.286 332 F C 2.354 178.081 175.800 -0.122 0.000 1.057 332 F CA 0.891 58.812 58.000 -0.132 0.000 1.365 332 F CB -0.074 38.809 39.000 -0.196 0.000 1.114 332 F HN 0.173 nan 8.300 nan 0.000 0.545 333 A N -0.299 122.576 122.820 0.091 0.000 2.016 333 A HA 0.072 4.042 4.320 -0.582 0.000 0.217 333 A C 0.727 178.141 177.584 -0.283 0.000 1.162 333 A CA 0.932 52.793 52.037 -0.294 0.000 0.662 333 A CB -0.419 18.098 19.000 -0.805 0.000 0.812 333 A HN 0.272 nan 8.150 nan 0.000 0.450 334 L N 1.197 122.374 121.223 -0.077 0.000 2.637 334 L HA 0.404 4.395 4.340 -0.582 0.000 0.241 334 L C -2.761 174.086 176.870 -0.039 0.000 1.398 334 L CA -2.926 51.921 54.840 0.013 0.000 0.895 334 L CB 1.070 43.179 42.059 0.083 0.000 1.183 334 L HN -0.020 nan 8.230 nan 0.000 0.497 335 P HA 0.289 nan 4.420 nan 0.000 0.273 335 P C -2.250 175.024 177.300 -0.043 0.000 1.250 335 P CA -1.220 61.831 63.100 -0.082 0.000 0.793 335 P CB 0.221 31.834 31.700 -0.146 0.000 1.011 336 P HA -0.179 nan 4.420 nan 0.000 0.216 336 P C 1.496 178.790 177.300 -0.010 0.000 1.150 336 P CA 2.178 65.259 63.100 -0.032 0.000 0.843 336 P CB -0.590 31.092 31.700 -0.031 0.000 0.787 337 A N -0.785 122.034 122.820 -0.001 0.000 2.032 337 A HA -0.170 3.800 4.320 -0.582 0.000 0.221 337 A C 2.112 179.779 177.584 0.139 0.000 1.165 337 A CA 1.418 53.482 52.037 0.044 0.000 0.645 337 A CB -1.518 17.497 19.000 0.025 0.000 0.807 337 A HN 0.182 nan 8.150 nan 0.000 0.453 338 L N -1.232 120.076 121.223 0.141 0.000 2.446 338 L HA -0.020 3.971 4.340 -0.582 0.000 0.219 338 L C 2.219 179.263 176.870 0.290 0.000 1.116 338 L CA 0.376 55.399 54.840 0.306 0.000 0.844 338 L CB -0.357 41.865 42.059 0.271 0.000 0.970 338 L HN 0.487 nan 8.230 nan 0.000 0.457 339 E N 0.699 120.951 120.200 0.087 0.000 2.097 339 E HA -0.227 3.774 4.350 -0.582 0.000 0.196 339 E C -0.666 175.939 176.600 0.007 0.000 1.000 339 E CA 1.268 57.683 56.400 0.024 0.000 0.804 339 E CB -0.796 28.865 29.700 -0.064 0.000 0.740 339 E HN 0.462 nan 8.360 nan 0.000 0.454 340 P HA -0.142 nan 4.420 nan 0.000 0.221 340 P C 0.387 177.442 177.300 -0.409 0.000 1.145 340 P CA 1.067 63.943 63.100 -0.374 0.000 0.795 340 P CB -0.064 31.247 31.700 -0.648 0.000 0.775 341 F N -3.032 116.973 119.950 0.091 0.000 2.663 341 F HA 0.200 4.377 4.527 -0.582 0.000 0.299 341 F C 0.375 176.125 175.800 -0.083 0.000 1.143 341 F CA -0.217 57.793 58.000 0.017 0.000 1.387 341 F CB -0.810 38.190 39.000 -0.001 0.000 1.019 341 F HN -0.128 nan 8.300 nan 0.000 0.523 342 Y N -0.483 119.848 120.300 0.051 0.000 2.350 342 Y HA 0.220 4.421 4.550 -0.582 0.000 0.338 342 Y C 1.492 177.373 175.900 -0.031 0.000 0.961 342 Y CA -1.210 56.899 58.100 0.015 0.000 1.100 342 Y CB 1.726 40.187 38.460 0.001 0.000 1.179 342 Y HN -0.005 nan 8.280 nan 0.000 0.454 343 S N 0.556 116.266 115.700 0.018 0.000 2.402 343 S HA -0.091 4.030 4.470 -0.582 0.000 0.229 343 S C 0.526 175.122 174.600 -0.006 0.000 1.021 343 S CA 0.688 58.872 58.200 -0.027 0.000 0.974 343 S CB -0.343 62.796 63.200 -0.101 0.000 0.800 343 S HN 0.692 nan 8.310 nan 0.000 0.484 344 E N 1.757 121.985 120.200 0.046 0.000 2.342 344 E HA 0.190 4.191 4.350 -0.582 0.000 0.257 344 E C -0.551 176.074 176.600 0.042 0.000 1.150 344 E CA -0.758 55.652 56.400 0.016 0.000 0.926 344 E CB 0.015 29.725 29.700 0.017 0.000 1.074 344 E HN 0.529 nan 8.360 nan 0.000 0.449 345 H N -0.094 118.912 119.070 -0.108 0.000 2.803 345 H HA 0.233 4.440 4.556 -0.582 0.000 0.330 345 H C -0.668 174.712 175.328 0.087 0.000 1.057 345 H CA -0.232 55.797 56.048 -0.031 0.000 1.458 345 H CB 0.650 30.352 29.762 -0.100 0.000 1.470 345 H HN 0.173 nan 8.280 nan 0.000 0.560 346 V N 7.566 127.310 119.914 -0.282 0.000 2.461 346 V HA 0.174 3.944 4.120 -0.582 0.000 0.275 346 V C 0.111 176.185 176.094 -0.034 0.000 1.047 346 V CA -0.336 61.876 62.300 -0.146 0.000 0.955 346 V CB 0.689 32.377 31.823 -0.225 0.000 0.988 346 V HN 0.607 nan 8.190 nan 0.000 0.471 347 L N 5.988 127.256 121.223 0.074 0.000 2.333 347 L HA 0.722 4.712 4.340 -0.582 0.000 0.269 347 L C -0.112 176.791 176.870 0.055 0.000 1.010 347 L CA -0.797 54.091 54.840 0.081 0.000 0.818 347 L CB 2.150 44.252 42.059 0.073 0.000 1.306 347 L HN 0.513 nan 8.230 nan 0.000 0.430 348 R N 1.885 122.412 120.500 0.045 0.000 2.686 348 R HA 0.633 4.624 4.340 -0.582 0.000 0.283 348 R C -1.183 175.139 176.300 0.037 0.000 0.978 348 R CA -0.898 55.240 56.100 0.064 0.000 0.897 348 R CB 2.384 32.721 30.300 0.061 0.000 1.192 348 R HN 0.440 nan 8.270 nan 0.000 0.457 349 L N 2.007 123.256 121.223 0.044 0.000 2.456 349 L HA 0.156 4.147 4.340 -0.582 0.000 0.257 349 L C 1.607 178.456 176.870 -0.034 0.000 1.162 349 L CA -0.091 54.724 54.840 -0.043 0.000 0.808 349 L CB 0.733 42.721 42.059 -0.117 0.000 1.136 349 L HN 0.593 nan 8.230 nan 0.000 0.466 350 Q N 0.466 120.221 119.800 -0.074 0.000 2.230 350 Q HA -0.013 3.978 4.340 -0.582 0.000 0.202 350 Q C 0.888 176.883 176.000 -0.008 0.000 0.963 350 Q CA 1.119 56.909 55.803 -0.021 0.000 0.866 350 Q CB 0.177 28.899 28.738 -0.027 0.000 0.931 350 Q HN 0.899 nan 8.270 nan 0.000 0.452 351 G N -0.146 108.568 108.800 -0.143 0.000 3.286 351 G HA2 0.615 4.226 3.960 -0.582 0.000 0.166 351 G HA3 0.615 4.226 3.960 -0.582 0.000 0.166 351 G C -1.052 173.442 174.900 -0.677 0.000 1.155 351 G CA -0.109 44.849 45.100 -0.237 0.000 0.871 351 G HN 0.256 nan 8.290 nan 0.000 0.637 352 A N -0.630 121.774 122.820 -0.692 0.000 2.366 352 A HA 0.486 4.457 4.320 -0.582 0.000 0.249 352 A C 0.849 178.438 177.584 0.009 0.000 1.084 352 A CA 0.112 51.873 52.037 -0.460 0.000 0.794 352 A CB -0.022 18.832 19.000 -0.243 0.000 1.034 352 A HN 1.171 nan 8.150 nan 0.000 0.491 353 F N -0.589 119.439 119.950 0.131 0.000 2.502 353 F HA 0.102 4.279 4.527 -0.583 0.000 0.298 353 F C 0.874 177.077 175.800 0.671 0.000 1.111 353 F CA 0.694 58.953 58.000 0.431 0.000 1.445 353 F CB 0.058 39.358 39.000 0.501 0.000 1.081 353 F HN 0.557 nan 8.300 nan 0.000 0.558 354 Q N 3.503 123.091 119.800 -0.353 0.000 2.333 354 Q HA 0.361 4.352 4.340 -0.582 0.000 0.265 354 Q C -2.621 173.240 176.000 -0.233 0.000 0.989 354 Q CA -2.685 52.799 55.803 -0.532 0.000 0.842 354 Q CB 2.097 30.268 28.738 -0.945 0.000 1.262 354 Q HN 0.031 nan 8.270 nan 0.000 0.451 355 P HA 0.301 nan 4.420 nan 0.000 0.297 355 P C -1.134 175.908 177.300 -0.431 0.000 1.307 355 P CA -0.277 62.352 63.100 -0.785 0.000 0.773 355 P CB 1.317 32.322 31.700 -1.157 0.000 1.265 356 S N -2.495 112.979 115.700 -0.377 0.000 2.611 356 S HA 0.262 4.383 4.470 -0.582 0.000 0.268 356 S C -1.216 173.174 174.600 -0.351 0.000 1.156 356 S CA -0.752 57.275 58.200 -0.288 0.000 0.817 356 S CB 0.611 63.731 63.200 -0.132 0.000 1.122 356 S HN 0.325 nan 8.310 nan 0.000 0.466 357 D N 1.688 121.858 120.400 -0.384 0.000 2.508 357 D HA 0.256 4.547 4.640 -0.582 0.000 0.224 357 D C 1.471 177.388 176.300 -0.637 0.000 1.171 357 D CA 0.176 53.939 54.000 -0.396 0.000 1.006 357 D CB 0.244 40.875 40.800 -0.282 0.000 1.073 357 D HN 0.665 nan 8.370 nan 0.000 0.513 358 T N -1.308 112.882 114.554 -0.608 0.000 3.215 358 T HA -0.084 3.917 4.350 -0.582 0.000 0.254 358 T C 1.585 176.082 174.700 -0.339 0.000 1.149 358 T CA 0.425 62.036 62.100 -0.816 0.000 1.042 358 T CB -0.185 68.464 68.868 -0.365 0.000 0.966 358 T HN 0.188 nan 8.240 nan 0.000 0.534 359 S N 0.310 115.871 115.700 -0.232 0.000 2.593 359 S HA 0.183 4.304 4.470 -0.582 0.000 0.217 359 S C 0.799 175.411 174.600 0.020 0.000 0.966 359 S CA -0.801 57.362 58.200 -0.061 0.000 0.914 359 S CB -0.341 62.823 63.200 -0.060 0.000 0.776 359 S HN 0.491 nan 8.310 nan 0.000 0.523 360 R N 1.282 121.781 120.500 -0.002 0.000 2.347 360 R HA 0.430 4.421 4.340 -0.582 0.000 0.304 360 R C -1.058 175.424 176.300 0.304 0.000 1.072 360 R CA -0.329 55.848 56.100 0.129 0.000 0.980 360 R CB 1.090 31.443 30.300 0.088 0.000 0.986 360 R HN 0.129 nan 8.270 nan 0.000 0.448 361 V N 4.834 124.849 119.914 0.168 0.000 2.383 361 V HA 0.112 3.883 4.120 -0.582 0.000 0.275 361 V C 0.201 176.345 176.094 0.084 0.000 1.036 361 V CA -0.665 61.703 62.300 0.113 0.000 0.889 361 V CB 1.577 33.436 31.823 0.060 0.000 0.985 361 V HN 0.476 nan 8.190 nan 0.000 0.459 362 V N 5.510 125.452 119.914 0.046 0.000 2.372 362 V HA 0.444 4.215 4.120 -0.582 0.000 0.261 362 V C 0.960 177.042 176.094 -0.019 0.000 1.055 362 V CA -0.394 61.912 62.300 0.010 0.000 0.930 362 V CB 0.625 32.430 31.823 -0.030 0.000 1.031 362 V HN 0.991 nan 8.190 nan 0.000 0.479 363 A N 4.271 127.082 122.820 -0.014 0.000 2.475 363 A HA 0.178 4.149 4.320 -0.582 0.000 0.239 363 A C 0.611 178.171 177.584 -0.040 0.000 1.087 363 A CA -0.119 51.906 52.037 -0.021 0.000 0.779 363 A CB 0.124 19.116 19.000 -0.013 0.000 1.036 363 A HN 0.944 nan 8.150 nan 0.000 0.506 364 E N 1.829 122.006 120.200 -0.037 0.000 2.290 364 E HA 0.306 4.307 4.350 -0.582 0.000 0.277 364 E C -2.089 174.481 176.600 -0.050 0.000 1.035 364 E CA -1.510 54.859 56.400 -0.052 0.000 0.873 364 E CB 0.527 30.208 29.700 -0.031 0.000 1.029 364 E HN 0.495 nan 8.360 nan 0.000 0.419 365 P HA 0.337 nan 4.420 nan 0.000 0.282 365 P C -2.573 174.747 177.300 0.034 0.000 1.287 365 P CA -1.433 61.643 63.100 -0.040 0.000 0.792 365 P CB -0.180 31.464 31.700 -0.093 0.000 1.163 366 P HA 0.031 nan 4.420 nan 0.000 0.274 366 P C 0.236 177.660 177.300 0.206 0.000 1.264 366 P CA -0.055 63.112 63.100 0.112 0.000 0.795 366 P CB -0.056 31.703 31.700 0.098 0.000 1.064 367 S N 0.021 115.796 115.700 0.125 0.000 2.596 367 S HA 0.119 4.239 4.470 -0.582 0.000 0.260 367 S C 1.322 175.908 174.600 -0.024 0.000 1.336 367 S CA -0.402 57.850 58.200 0.087 0.000 0.993 367 S CB 0.362 63.568 63.200 0.010 0.000 0.923 367 S HN 0.249 nan 8.310 nan 0.000 0.567 368 R N 0.563 120.886 120.500 -0.295 0.000 2.091 368 R HA -0.093 3.898 4.340 -0.582 0.000 0.238 368 R C 2.340 178.484 176.300 -0.261 0.000 1.136 368 R CA 1.932 57.732 56.100 -0.499 0.000 0.959 368 R CB -1.774 28.223 30.300 -0.505 0.000 0.856 368 R HN 0.775 nan 8.270 nan 0.000 0.437 369 T N 1.906 116.364 114.554 -0.161 0.000 2.746 369 T HA -0.157 3.844 4.350 -0.582 0.000 0.267 369 T C 1.920 176.581 174.700 -0.065 0.000 1.039 369 T CA 1.342 63.378 62.100 -0.107 0.000 1.142 369 T CB -0.140 68.685 68.868 -0.072 0.000 0.866 369 T HN 0.387 nan 8.240 nan 0.000 0.444 370 Q N -0.101 119.679 119.800 -0.032 0.000 2.226 370 Q HA -0.063 3.927 4.340 -0.582 0.000 0.204 370 Q C 2.243 178.260 176.000 0.030 0.000 0.975 370 Q CA 1.034 56.842 55.803 0.008 0.000 0.866 370 Q CB -0.360 28.397 28.738 0.031 0.000 0.915 370 Q HN 0.511 nan 8.270 nan 0.000 0.440 371 C N -0.299 119.011 119.300 0.015 0.000 2.576 371 C HA 0.224 4.335 4.460 -0.582 0.000 0.267 371 C C 1.603 176.575 174.990 -0.030 0.000 1.364 371 C CA 0.404 59.457 59.018 0.058 0.000 1.723 371 C CB -1.016 26.780 27.740 0.093 0.000 1.778 371 C HN 0.804 nan 8.230 nan 0.000 0.572 372 G N 0.458 109.212 108.800 -0.077 0.000 2.157 372 G HA2 -0.225 3.386 3.960 -0.582 0.000 0.248 372 G HA3 -0.225 3.386 3.960 -0.582 0.000 0.248 372 G C -0.036 174.743 174.900 -0.200 0.000 0.979 372 G CA -0.144 44.904 45.100 -0.087 0.000 0.650 372 G HN 0.515 nan 8.290 nan 0.000 0.529 373 L N 1.512 122.544 121.223 -0.318 0.000 2.334 373 L HA 0.479 4.470 4.340 -0.582 0.000 0.277 373 L C -1.598 175.114 176.870 -0.262 0.000 1.075 373 L CA -2.366 52.239 54.840 -0.392 0.000 0.804 373 L CB 1.120 42.825 42.059 -0.589 0.000 1.174 373 L HN -0.102 nan 8.230 nan 0.000 0.438 374 P HA 0.015 nan 4.420 nan 0.000 0.269 374 P C 0.004 177.199 177.300 -0.175 0.000 1.215 374 P CA -0.190 62.816 63.100 -0.156 0.000 0.780 374 P CB 0.688 32.313 31.700 -0.126 0.000 0.898 375 E N 0.050 120.168 120.200 -0.136 0.000 2.285 375 E HA -0.070 3.930 4.350 -0.582 0.000 0.194 375 E C 0.208 176.738 176.600 -0.117 0.000 0.997 375 E CA 1.089 57.409 56.400 -0.133 0.000 0.845 375 E CB 0.144 29.786 29.700 -0.096 0.000 0.782 375 E HN 0.541 nan 8.360 nan 0.000 0.491 376 Q N -1.101 118.638 119.800 -0.102 0.000 2.297 376 Q HA 0.645 4.636 4.340 -0.582 0.000 0.268 376 Q C -0.079 175.867 176.000 -0.091 0.000 1.045 376 Q CA -0.121 55.631 55.803 -0.085 0.000 0.861 376 Q CB 2.325 31.024 28.738 -0.065 0.000 1.344 376 Q HN 0.122 nan 8.270 nan 0.000 0.452 377 G N -1.066 107.688 108.800 -0.076 0.000 2.515 377 G HA2 0.003 3.614 3.960 -0.582 0.000 0.686 377 G HA3 0.003 3.614 3.960 -0.582 0.000 0.686 377 G C -1.451 173.408 174.900 -0.069 0.000 1.274 377 G CA -0.939 44.119 45.100 -0.070 0.000 0.874 377 G HN 0.472 nan 8.290 nan 0.000 0.631 378 V N 0.334 120.216 119.914 -0.053 0.000 2.546 378 V HA 0.573 4.344 4.120 -0.582 0.000 0.284 378 V C 0.891 176.963 176.094 -0.038 0.000 1.050 378 V CA 0.123 62.400 62.300 -0.038 0.000 0.981 378 V CB 1.476 33.285 31.823 -0.023 0.000 0.990 378 V HN 1.742 nan 8.190 nan 0.000 0.474 379 V N 7.532 127.437 119.914 -0.016 0.000 2.311 379 V HA 0.517 4.288 4.120 -0.582 0.000 0.275 379 V C -0.331 175.798 176.094 0.058 0.000 1.022 379 V CA -0.318 61.982 62.300 -0.000 0.000 0.830 379 V CB 0.750 32.545 31.823 -0.047 0.000 1.012 379 V HN 0.693 nan 8.190 nan 0.000 0.452 380 L N 7.229 128.465 121.223 0.022 0.000 2.371 380 L HA 0.676 4.667 4.340 -0.582 0.000 0.272 380 L C 0.302 177.146 176.870 -0.043 0.000 1.124 380 L CA -0.289 54.550 54.840 -0.003 0.000 0.816 380 L CB 1.210 43.257 42.059 -0.020 0.000 1.129 380 L HN 0.937 nan 8.230 nan 0.000 0.448 381 C N 0.713 119.901 119.300 -0.186 0.000 3.090 381 C HA 0.793 4.903 4.460 -0.582 0.000 0.305 381 C C -0.555 173.917 174.990 -0.864 0.000 1.292 381 C CA -1.362 57.364 59.018 -0.486 0.000 1.482 381 C CB 1.096 28.430 27.740 -0.677 0.000 1.897 381 C HN 1.002 nan 8.230 nan 0.000 0.469 382 C N 3.093 121.804 119.300 -0.982 0.000 2.781 382 C HA 0.666 4.777 4.460 -0.582 0.000 0.348 382 C C -0.461 174.153 174.990 -0.627 0.000 1.051 382 C CA -0.427 57.952 59.018 -1.064 0.000 1.347 382 C CB -0.790 26.639 27.740 -0.518 0.000 1.846 382 C HN 0.857 nan 8.230 nan 0.000 0.473 383 F N 3.408 123.219 119.950 -0.231 0.000 2.713 383 F HA 0.330 4.507 4.527 -0.582 0.000 0.294 383 F C 1.098 176.959 175.800 0.102 0.000 1.152 383 F CA -0.385 57.633 58.000 0.030 0.000 1.385 383 F CB -0.779 38.332 39.000 0.185 0.000 0.981 383 F HN 0.531 nan 8.300 nan 0.000 0.514 384 N N 0.690 119.507 118.700 0.195 0.000 2.482 384 N HA 0.010 4.401 4.740 -0.582 0.000 0.260 384 N C 0.015 175.485 175.510 -0.066 0.000 1.236 384 N CA -0.138 52.955 53.050 0.072 0.000 0.938 384 N CB 0.202 38.704 38.487 0.026 0.000 1.128 384 N HN 0.217 nan 8.380 nan 0.000 0.448 385 N N -0.772 117.789 118.700 -0.232 0.000 2.345 385 N HA -0.096 4.295 4.740 -0.582 0.000 0.243 385 N C 1.099 176.369 175.510 -0.399 0.000 1.246 385 N CA 0.071 52.896 53.050 -0.375 0.000 0.863 385 N CB 0.481 38.551 38.487 -0.695 0.000 1.096 385 N HN 0.541 nan 8.380 nan 0.000 0.446 386 S N 1.546 117.143 115.700 -0.172 0.000 2.400 386 S HA -0.266 3.855 4.470 -0.582 0.000 0.232 386 S C 1.739 176.354 174.600 0.025 0.000 1.025 386 S CA 1.234 59.427 58.200 -0.012 0.000 0.993 386 S CB -0.668 62.586 63.200 0.090 0.000 0.808 386 S HN 0.768 nan 8.310 nan 0.000 0.478 387 Y N 1.823 122.170 120.300 0.078 0.000 2.333 387 Y HA 0.231 4.434 4.550 -0.579 0.000 0.290 387 Y C 1.895 177.826 175.900 0.052 0.000 1.144 387 Y CA 0.627 58.775 58.100 0.081 0.000 1.228 387 Y CB -0.705 37.796 38.460 0.068 0.000 0.985 387 Y HN 0.149 nan 8.280 nan 0.000 0.542 388 K N 1.031 121.294 120.400 -0.227 0.000 2.439 388 K HA 0.110 4.081 4.320 -0.582 0.000 0.197 388 K C 0.107 176.695 176.600 -0.020 0.000 1.041 388 K CA 0.372 56.583 56.287 -0.126 0.000 0.970 388 K CB -0.058 32.262 32.500 -0.300 0.000 0.773 388 K HN 0.338 nan 8.250 nan 0.000 0.479 389 L N 3.714 124.960 121.223 0.038 0.000 2.375 389 L HA 0.089 4.080 4.340 -0.582 0.000 0.276 389 L C -0.297 176.694 176.870 0.202 0.000 1.162 389 L CA -0.782 54.133 54.840 0.125 0.000 0.991 389 L CB -0.618 41.550 42.059 0.182 0.000 1.315 389 L HN 0.211 nan 8.230 nan 0.000 0.431 390 N N 2.308 121.005 118.700 -0.004 0.000 2.502 390 N HA 0.461 4.852 4.740 -0.582 0.000 0.280 390 N C -2.266 172.880 175.510 -0.607 0.000 1.223 390 N CA -2.397 50.473 53.050 -0.299 0.000 0.966 390 N CB 0.268 38.599 38.487 -0.260 0.000 1.203 390 N HN -0.140 nan 8.380 nan 0.000 0.565 391 P HA -0.209 nan 4.420 nan 0.000 0.216 391 P C 1.242 178.330 177.300 -0.353 0.000 1.150 391 P CA 1.627 64.068 63.100 -1.099 0.000 0.837 391 P CB 0.179 31.264 31.700 -1.026 0.000 0.786 392 Q N -0.583 119.060 119.800 -0.261 0.000 2.167 392 Q HA -0.097 3.894 4.340 -0.582 0.000 0.202 392 Q C 1.790 177.741 176.000 -0.082 0.000 0.970 392 Q CA 1.623 57.357 55.803 -0.115 0.000 0.855 392 Q CB -0.369 28.313 28.738 -0.093 0.000 0.911 392 Q HN 0.117 nan 8.270 nan 0.000 0.438 393 S N 0.248 115.895 115.700 -0.089 0.000 2.377 393 S HA -0.009 4.112 4.470 -0.582 0.000 0.223 393 S C 1.898 176.504 174.600 0.010 0.000 1.030 393 S CA 0.865 59.025 58.200 -0.067 0.000 0.970 393 S CB -0.011 63.167 63.200 -0.037 0.000 0.830 393 S HN 0.356 nan 8.310 nan 0.000 0.473 394 M N 1.479 121.130 119.600 0.085 0.000 2.159 394 M HA 0.064 4.194 4.480 -0.582 0.000 0.263 394 M C 2.349 178.823 176.300 0.290 0.000 1.063 394 M CA 1.109 56.557 55.300 0.246 0.000 1.110 394 M CB -1.662 31.210 32.600 0.453 0.000 1.374 394 M HN 0.357 nan 8.290 nan 0.000 0.411 395 A N 0.802 123.789 122.820 0.278 0.000 1.929 395 A HA -0.166 3.805 4.320 -0.582 0.000 0.216 395 A C 2.269 179.913 177.584 0.101 0.000 1.176 395 A CA 1.597 53.767 52.037 0.222 0.000 0.628 395 A CB -0.584 18.544 19.000 0.213 0.000 0.816 395 A HN 0.596 nan 8.150 nan 0.000 0.444 396 R N -0.567 119.966 120.500 0.056 0.000 2.090 396 R HA 0.003 3.994 4.340 -0.582 0.000 0.228 396 R C 1.886 178.275 176.300 0.150 0.000 1.110 396 R CA 1.631 57.764 56.100 0.056 0.000 0.973 396 R CB -0.553 29.698 30.300 -0.082 0.000 0.869 396 R HN 0.462 nan 8.270 nan 0.000 0.440 397 M N 1.121 120.808 119.600 0.145 0.000 2.117 397 M HA -0.088 4.043 4.480 -0.582 0.000 0.262 397 M C 2.277 178.640 176.300 0.106 0.000 1.065 397 M CA 1.648 57.047 55.300 0.165 0.000 1.114 397 M CB -0.264 32.412 32.600 0.126 0.000 1.361 397 M HN 0.139 nan 8.290 nan 0.000 0.408 398 L N -0.354 120.923 121.223 0.089 0.000 2.217 398 L HA -0.094 3.897 4.340 -0.582 0.000 0.211 398 L C 2.793 179.674 176.870 0.019 0.000 1.107 398 L CA 0.675 55.537 54.840 0.038 0.000 0.783 398 L CB -0.753 41.301 42.059 -0.009 0.000 0.919 398 L HN 0.279 nan 8.230 nan 0.000 0.442 399 A N -0.200 122.643 122.820 0.039 0.000 1.930 399 A HA -0.125 3.846 4.320 -0.582 0.000 0.217 399 A C 2.326 179.931 177.584 0.035 0.000 1.175 399 A CA 1.459 53.514 52.037 0.030 0.000 0.627 399 A CB -0.678 18.348 19.000 0.043 0.000 0.815 399 A HN 0.174 nan 8.150 nan 0.000 0.443 400 V N -0.178 119.771 119.914 0.058 0.000 2.282 400 V HA -0.291 3.480 4.120 -0.582 0.000 0.249 400 V C 2.516 178.618 176.094 0.013 0.000 1.057 400 V CA 2.118 64.440 62.300 0.037 0.000 1.032 400 V CB -0.887 30.963 31.823 0.044 0.000 0.645 400 V HN 0.498 nan 8.190 nan 0.000 0.447 401 L N -0.472 120.758 121.223 0.012 0.000 2.042 401 L HA -0.160 3.831 4.340 -0.582 0.000 0.210 401 L C 2.599 179.461 176.870 -0.013 0.000 1.076 401 L CA 1.890 56.727 54.840 -0.004 0.000 0.749 401 L CB -0.802 41.254 42.059 -0.005 0.000 0.893 401 L HN 0.190 nan 8.230 nan 0.000 0.432 402 R N -0.286 120.205 120.500 -0.014 0.000 2.105 402 R HA -0.157 3.834 4.340 -0.582 0.000 0.239 402 R C 1.671 177.961 176.300 -0.017 0.000 1.135 402 R CA 1.527 57.614 56.100 -0.023 0.000 0.967 402 R CB -0.188 30.095 30.300 -0.027 0.000 0.861 402 R HN 0.556 nan 8.270 nan 0.000 0.442 403 E N -0.398 119.796 120.200 -0.010 0.000 2.474 403 E HA 0.050 4.051 4.350 -0.582 0.000 0.195 403 E C -0.251 176.342 176.600 -0.012 0.000 1.039 403 E CA 0.207 56.601 56.400 -0.010 0.000 0.881 403 E CB 0.932 30.630 29.700 -0.004 0.000 0.970 403 E HN 0.005 nan 8.360 nan 0.000 0.486 404 V N 2.596 122.502 119.914 -0.014 0.000 2.465 404 V HA 0.110 3.881 4.120 -0.582 0.000 0.263 404 V C -2.026 174.056 176.094 -0.020 0.000 0.981 404 V CA -1.103 61.187 62.300 -0.017 0.000 0.838 404 V CB 1.556 33.369 31.823 -0.016 0.000 1.068 404 V HN -0.094 nan 8.190 nan 0.000 0.458 405 P HA -0.129 nan 4.420 nan 0.000 0.216 405 P C 0.486 177.770 177.300 -0.027 0.000 1.153 405 P CA 1.301 64.387 63.100 -0.024 0.000 0.858 405 P CB 0.165 31.852 31.700 -0.022 0.000 0.789 406 D N -0.711 119.673 120.400 -0.028 0.000 2.856 406 D HA 0.096 4.387 4.640 -0.582 0.000 0.242 406 D C 0.227 176.504 176.300 -0.039 0.000 1.226 406 D CA 0.124 54.103 54.000 -0.034 0.000 0.855 406 D CB -0.518 40.263 40.800 -0.033 0.000 1.065 406 D HN 0.192 nan 8.370 nan 0.000 0.462 407 S N -1.630 114.048 115.700 -0.037 0.000 2.661 407 S HA 0.746 4.867 4.470 -0.582 0.000 0.285 407 S C -0.808 173.764 174.600 -0.047 0.000 1.138 407 S CA -0.869 57.307 58.200 -0.041 0.000 0.855 407 S CB 2.270 65.452 63.200 -0.030 0.000 1.136 407 S HN -0.041 nan 8.310 nan 0.000 0.484 408 V N 0.828 120.708 119.914 -0.056 0.000 2.962 408 V HA 0.725 4.496 4.120 -0.582 0.000 0.313 408 V C -1.636 174.428 176.094 -0.050 0.000 1.099 408 V CA -0.952 61.307 62.300 -0.067 0.000 0.971 408 V CB 2.007 33.763 31.823 -0.112 0.000 1.028 408 V HN 0.964 nan 8.190 nan 0.000 0.430 409 L N 4.451 125.644 121.223 -0.050 0.000 2.305 409 L HA 0.610 4.601 4.340 -0.582 0.000 0.284 409 L C -1.507 175.356 176.870 -0.012 0.000 1.013 409 L CA -0.042 54.775 54.840 -0.039 0.000 0.819 409 L CB 1.336 43.367 42.059 -0.047 0.000 1.227 409 L HN 0.747 nan 8.230 nan 0.000 0.417 410 W N 7.393 128.568 121.300 -0.208 0.000 2.376 410 W HA 0.636 4.948 4.660 -0.581 0.000 0.312 410 W C -1.535 174.880 176.519 -0.174 0.000 1.060 410 W CA -1.157 56.093 57.345 -0.158 0.000 1.221 410 W CB 1.024 30.460 29.460 -0.039 0.000 1.281 410 W HN 0.412 nan 8.180 nan 0.000 0.456 411 L N 5.263 126.520 121.223 0.055 0.000 2.279 411 L HA 0.488 4.478 4.340 -0.582 0.000 0.262 411 L C -0.613 176.380 176.870 0.204 0.000 1.019 411 L CA -1.617 53.237 54.840 0.024 0.000 0.823 411 L CB 1.491 43.476 42.059 -0.123 0.000 1.358 411 L HN 0.062 nan 8.230 nan 0.000 0.432 412 L N 0.572 121.949 121.223 0.257 0.000 2.331 412 L HA 0.260 4.251 4.340 -0.582 0.000 0.278 412 L C 0.482 177.532 176.870 0.300 0.000 1.106 412 L CA 0.653 55.607 54.840 0.190 0.000 0.824 412 L CB 1.457 43.587 42.059 0.118 0.000 1.142 412 L HN 0.529 nan 8.230 nan 0.000 0.443 413 S N 2.273 118.137 115.700 0.273 0.000 2.546 413 S HA 0.453 4.574 4.470 -0.582 0.000 0.290 413 S C 0.308 174.967 174.600 0.098 0.000 1.290 413 S CA 0.062 58.382 58.200 0.200 0.000 1.069 413 S CB -0.075 63.193 63.200 0.113 0.000 0.846 413 S HN 0.869 nan 8.310 nan 0.000 0.495 414 G N 4.389 113.214 108.800 0.043 0.000 2.552 414 G HA2 0.643 4.254 3.960 -0.582 0.000 0.318 414 G HA3 0.643 4.254 3.960 -0.582 0.000 0.318 414 G C -2.759 172.157 174.900 0.027 0.000 1.240 414 G CA -1.353 43.776 45.100 0.048 0.000 1.002 414 G HN 0.550 nan 8.290 nan 0.000 0.493 415 P HA 0.313 nan 4.420 nan 0.000 0.273 415 P C 1.056 178.379 177.300 0.039 0.000 1.250 415 P CA 0.892 64.042 63.100 0.084 0.000 0.793 415 P CB 0.324 32.133 31.700 0.181 0.000 1.011 416 G N 1.617 110.430 108.800 0.022 0.000 2.594 416 G HA2 -0.276 3.335 3.960 -0.582 0.000 0.297 416 G HA3 -0.276 3.335 3.960 -0.582 0.000 0.297 416 G C 0.325 175.193 174.900 -0.053 0.000 1.273 416 G CA 0.109 45.197 45.100 -0.021 0.000 0.974 416 G HN 0.569 nan 8.290 nan 0.000 0.552 417 E N 1.318 121.476 120.200 -0.070 0.000 2.320 417 E HA 0.371 4.371 4.350 -0.582 0.000 0.189 417 E C 2.165 178.690 176.600 -0.126 0.000 1.100 417 E CA 0.827 57.168 56.400 -0.098 0.000 1.009 417 E CB -0.187 29.460 29.700 -0.089 0.000 1.145 417 E HN 0.762 nan 8.360 nan 0.000 0.454 418 A N 1.511 124.265 122.820 -0.110 0.000 1.892 418 A HA -0.245 3.725 4.320 -0.582 0.000 0.218 418 A C 1.687 179.164 177.584 -0.178 0.000 1.188 418 A CA 1.813 53.779 52.037 -0.119 0.000 0.631 418 A CB -0.215 18.758 19.000 -0.045 0.000 0.822 418 A HN 0.103 nan 8.150 nan 0.000 0.447 419 D N 0.063 120.276 120.400 -0.311 0.000 2.104 419 D HA -0.081 4.209 4.640 -0.582 0.000 0.194 419 D C 2.249 178.350 176.300 -0.332 0.000 0.994 419 D CA 1.711 55.319 54.000 -0.653 0.000 0.830 419 D CB -0.647 39.443 40.800 -1.183 0.000 0.959 419 D HN 0.437 nan 8.370 nan 0.000 0.452 420 A N 0.849 123.528 122.820 -0.235 0.000 1.917 420 A HA -0.248 3.722 4.320 -0.582 0.000 0.219 420 A C 2.191 179.733 177.584 -0.069 0.000 1.182 420 A CA 1.696 53.663 52.037 -0.116 0.000 0.633 420 A CB -0.499 18.440 19.000 -0.101 0.000 0.819 420 A HN 0.137 nan 8.150 nan 0.000 0.448 421 R N -0.810 119.622 120.500 -0.113 0.000 2.073 421 R HA 0.038 4.029 4.340 -0.582 0.000 0.229 421 R C 2.121 178.367 176.300 -0.090 0.000 1.120 421 R CA 1.251 57.267 56.100 -0.140 0.000 0.967 421 R CB -0.464 29.674 30.300 -0.269 0.000 0.862 421 R HN 0.528 nan 8.270 nan 0.000 0.436 422 L N 0.262 121.458 121.223 -0.045 0.000 2.042 422 L HA -0.223 3.767 4.340 -0.582 0.000 0.210 422 L C 2.570 179.586 176.870 0.243 0.000 1.076 422 L CA 1.546 56.470 54.840 0.140 0.000 0.749 422 L CB -0.428 41.811 42.059 0.301 0.000 0.893 422 L HN 0.176 nan 8.230 nan 0.000 0.432 423 R N -0.261 120.369 120.500 0.216 0.000 2.096 423 R HA -0.147 3.844 4.340 -0.582 0.000 0.235 423 R C 2.429 178.831 176.300 0.170 0.000 1.127 423 R CA 1.278 57.504 56.100 0.209 0.000 0.968 423 R CB -0.451 29.948 30.300 0.166 0.000 0.861 423 R HN 0.389 nan 8.270 nan 0.000 0.440 424 A N 0.843 123.741 122.820 0.130 0.000 1.877 424 A HA -0.193 3.777 4.320 -0.582 0.000 0.216 424 A C 1.929 179.650 177.584 0.228 0.000 1.186 424 A CA 1.069 53.186 52.037 0.133 0.000 0.620 424 A CB -0.669 18.376 19.000 0.075 0.000 0.822 424 A HN 0.321 nan 8.150 nan 0.000 0.443 425 F N 1.151 121.151 119.950 0.084 0.000 2.126 425 F HA -0.161 4.018 4.527 -0.581 0.000 0.299 425 F C 2.542 178.434 175.800 0.153 0.000 1.096 425 F CA 0.883 58.971 58.000 0.146 0.000 1.255 425 F CB -0.650 38.472 39.000 0.204 0.000 0.997 425 F HN 0.264 nan 8.300 nan 0.000 0.479 426 A N -0.390 122.511 122.820 0.135 0.000 1.865 426 A HA -0.295 3.676 4.320 -0.582 0.000 0.217 426 A C 2.436 180.019 177.584 -0.002 0.000 1.191 426 A CA 1.950 53.999 52.037 0.020 0.000 0.623 426 A CB -1.569 17.494 19.000 0.104 0.000 0.826 426 A HN 0.626 nan 8.150 nan 0.000 0.444 427 H N 0.042 119.112 119.070 -0.001 0.000 2.352 427 H HA -0.108 4.098 4.556 -0.582 0.000 0.299 427 H C 2.242 177.550 175.328 -0.034 0.000 1.097 427 H CA 1.878 57.922 56.048 -0.007 0.000 1.311 427 H CB -0.229 29.545 29.762 0.019 0.000 1.377 427 H HN 0.409 nan 8.280 nan 0.000 0.504 428 A N 0.729 123.603 122.820 0.091 0.000 2.067 428 A HA -0.105 3.866 4.320 -0.582 0.000 0.219 428 A C 2.107 179.618 177.584 -0.121 0.000 1.158 428 A CA 1.018 53.074 52.037 0.031 0.000 0.661 428 A CB -0.136 18.927 19.000 0.105 0.000 0.801 428 A HN 0.458 nan 8.150 nan 0.000 0.452 429 Q N -1.030 118.624 119.800 -0.242 0.000 2.280 429 Q HA 0.193 4.184 4.340 -0.582 0.000 0.202 429 Q C 0.783 176.675 176.000 -0.181 0.000 0.903 429 Q CA 0.534 56.175 55.803 -0.269 0.000 0.948 429 Q CB 0.102 28.576 28.738 -0.440 0.000 1.058 429 Q HN 0.874 nan 8.270 nan 0.000 0.493 430 G N 0.688 109.374 108.800 -0.189 0.000 2.256 430 G HA2 -0.225 3.385 3.960 -0.582 0.000 0.272 430 G HA3 -0.225 3.385 3.960 -0.582 0.000 0.272 430 G C -0.200 174.614 174.900 -0.142 0.000 1.076 430 G CA 0.213 45.204 45.100 -0.181 0.000 0.882 430 G HN 0.203 nan 8.290 nan 0.000 0.497 431 V N 0.217 120.050 119.914 -0.134 0.000 2.638 431 V HA 0.439 4.210 4.120 -0.582 0.000 0.306 431 V C 0.095 176.164 176.094 -0.042 0.000 1.052 431 V CA -1.140 61.115 62.300 -0.075 0.000 0.885 431 V CB 1.994 33.788 31.823 -0.049 0.000 0.999 431 V HN 0.417 nan 8.190 nan 0.000 0.424 432 D N 3.374 123.764 120.400 -0.018 0.000 2.472 432 D HA 0.107 4.398 4.640 -0.582 0.000 0.248 432 D C 1.057 177.392 176.300 0.059 0.000 1.174 432 D CA 0.578 54.597 54.000 0.032 0.000 0.883 432 D CB 1.921 42.734 40.800 0.021 0.000 1.149 432 D HN 0.698 nan 8.370 nan 0.000 0.488 433 A N 4.159 127.045 122.820 0.110 0.000 2.172 433 A HA -0.164 3.806 4.320 -0.582 0.000 0.216 433 A C 1.883 179.529 177.584 0.102 0.000 1.154 433 A CA 0.964 53.073 52.037 0.120 0.000 0.701 433 A CB -0.235 18.853 19.000 0.147 0.000 0.789 433 A HN 0.733 nan 8.150 nan 0.000 0.465 434 Q N -0.678 119.166 119.800 0.073 0.000 2.436 434 Q HA -0.002 3.989 4.340 -0.582 0.000 0.209 434 Q C 1.628 177.644 176.000 0.026 0.000 0.965 434 Q CA 0.581 56.417 55.803 0.055 0.000 0.910 434 Q CB -0.012 28.748 28.738 0.036 0.000 0.980 434 Q HN 0.611 nan 8.270 nan 0.000 0.491 435 R N -0.345 120.164 120.500 0.016 0.000 2.313 435 R HA 0.062 4.053 4.340 -0.582 0.000 0.199 435 R C -0.441 175.838 176.300 -0.036 0.000 0.958 435 R CA 0.020 56.110 56.100 -0.016 0.000 1.047 435 R CB 0.280 30.570 30.300 -0.016 0.000 0.955 435 R HN 0.034 nan 8.270 nan 0.000 0.481 436 L N 0.696 121.905 121.223 -0.023 0.000 2.307 436 L HA 0.283 4.274 4.340 -0.582 0.000 0.282 436 L C -0.275 176.493 176.870 -0.170 0.000 1.051 436 L CA -0.366 54.394 54.840 -0.134 0.000 0.804 436 L CB 1.837 43.826 42.059 -0.117 0.000 1.197 436 L HN -0.262 nan 8.230 nan 0.000 0.431 437 V N 3.740 123.499 119.914 -0.258 0.000 2.656 437 V HA 0.494 4.264 4.120 -0.582 0.000 0.307 437 V C -0.761 175.282 176.094 -0.084 0.000 1.051 437 V CA -0.650 61.608 62.300 -0.070 0.000 0.893 437 V CB 1.827 33.598 31.823 -0.087 0.000 0.999 437 V HN 0.382 nan 8.190 nan 0.000 0.426 438 F N 3.758 123.876 119.950 0.279 0.000 2.426 438 F HA 0.561 4.739 4.527 -0.581 0.000 0.348 438 F C 0.326 176.288 175.800 0.269 0.000 1.124 438 F CA -0.492 57.662 58.000 0.258 0.000 1.008 438 F CB 1.777 40.863 39.000 0.144 0.000 1.139 438 F HN 0.367 nan 8.300 nan 0.000 0.452 439 M N 7.042 126.845 119.600 0.338 0.000 2.200 439 M HA 0.308 4.439 4.480 -0.582 0.000 0.355 439 M C -2.259 174.115 176.300 0.123 0.000 1.283 439 M CA -1.517 53.893 55.300 0.183 0.000 1.124 439 M CB 1.056 33.509 32.600 -0.245 0.000 1.625 439 M HN 0.288 nan 8.290 nan 0.000 0.463 440 P HA 0.135 nan 4.420 nan 0.000 0.277 440 P C -1.462 175.849 177.300 0.018 0.000 1.276 440 P CA -0.379 62.763 63.100 0.070 0.000 0.788 440 P CB 0.404 32.146 31.700 0.069 0.000 1.114 441 K N 0.453 120.859 120.400 0.011 0.000 2.379 441 K HA 0.341 4.312 4.320 -0.582 0.000 0.284 441 K C -0.691 175.904 176.600 -0.008 0.000 1.044 441 K CA 0.359 56.637 56.287 -0.015 0.000 0.974 441 K CB -1.004 31.493 32.500 -0.006 0.000 0.962 441 K HN 0.359 nan 8.250 nan 0.000 0.474 442 L N 5.863 127.074 121.223 -0.021 0.000 2.409 442 L HA 0.517 4.508 4.340 -0.582 0.000 0.262 442 L C -2.105 174.773 176.870 0.014 0.000 0.992 442 L CA -2.551 52.294 54.840 0.008 0.000 0.817 442 L CB 2.071 44.146 42.059 0.026 0.000 1.350 442 L HN 0.567 nan 8.230 nan 0.000 0.411 443 P HA -0.051 nan 4.420 nan 0.000 0.267 443 P C 0.246 177.609 177.300 0.105 0.000 1.201 443 P CA 0.085 63.220 63.100 0.058 0.000 0.775 443 P CB 0.463 32.196 31.700 0.054 0.000 0.854 444 H N 4.086 123.181 119.070 0.042 0.000 2.319 444 H HA -0.133 4.074 4.556 -0.582 0.000 0.297 444 H C -0.954 174.486 175.328 0.187 0.000 1.097 444 H CA 2.541 58.662 56.048 0.122 0.000 1.285 444 H CB -1.380 28.423 29.762 0.068 0.000 1.368 444 H HN 0.409 nan 8.280 nan 0.000 0.495 445 P HA -0.122 nan 4.420 nan 0.000 0.217 445 P C 1.241 178.512 177.300 -0.048 0.000 1.150 445 P CA 1.806 64.889 63.100 -0.029 0.000 0.832 445 P CB 0.005 31.728 31.700 0.038 0.000 0.787 446 Q N -1.772 118.025 119.800 -0.005 0.000 2.079 446 Q HA -0.195 3.796 4.340 -0.582 0.000 0.200 446 Q C 2.214 178.189 176.000 -0.042 0.000 0.974 446 Q CA 1.335 57.133 55.803 -0.009 0.000 0.840 446 Q CB -0.784 27.965 28.738 0.018 0.000 0.898 446 Q HN 0.372 nan 8.270 nan 0.000 0.430 447 Y N 0.874 121.068 120.300 -0.176 0.000 2.200 447 Y HA -0.214 3.988 4.550 -0.580 0.000 0.290 447 Y C 1.932 177.674 175.900 -0.263 0.000 1.137 447 Y CA 0.886 58.821 58.100 -0.276 0.000 1.163 447 Y CB -0.221 38.081 38.460 -0.264 0.000 0.988 447 Y HN 0.060 nan 8.280 nan 0.000 0.518 448 L N 1.303 122.248 121.223 -0.463 0.000 2.083 448 L HA -0.067 3.924 4.340 -0.582 0.000 0.209 448 L C 2.560 179.326 176.870 -0.173 0.000 1.083 448 L CA 1.922 56.515 54.840 -0.411 0.000 0.752 448 L CB -1.262 40.611 42.059 -0.311 0.000 0.899 448 L HN 0.383 nan 8.230 nan 0.000 0.433 449 A N -0.737 121.990 122.820 -0.154 0.000 2.024 449 A HA -0.192 3.778 4.320 -0.582 0.000 0.220 449 A C 2.185 179.711 177.584 -0.098 0.000 1.164 449 A CA 1.305 53.287 52.037 -0.092 0.000 0.643 449 A CB -0.496 18.463 19.000 -0.067 0.000 0.806 449 A HN 0.414 nan 8.150 nan 0.000 0.451 450 R N -1.425 118.970 120.500 -0.176 0.000 2.189 450 R HA -0.096 3.895 4.340 -0.582 0.000 0.223 450 R C 1.509 177.821 176.300 0.020 0.000 1.092 450 R CA 0.994 57.052 56.100 -0.071 0.000 0.989 450 R CB -0.920 29.166 30.300 -0.357 0.000 0.876 450 R HN 0.706 nan 8.270 nan 0.000 0.457 451 Y N 1.124 121.404 120.300 -0.034 0.000 2.403 451 Y HA -0.094 4.107 4.550 -0.583 0.000 0.291 451 Y C 2.308 178.287 175.900 0.133 0.000 1.143 451 Y CA 1.008 59.176 58.100 0.113 0.000 1.257 451 Y CB -0.190 38.283 38.460 0.022 0.000 0.984 451 Y HN -0.033 nan 8.280 nan 0.000 0.550 452 R N -0.880 119.706 120.500 0.144 0.000 2.241 452 R HA -0.139 3.852 4.340 -0.582 0.000 0.224 452 R C 0.996 177.341 176.300 0.075 0.000 1.101 452 R CA 1.006 57.130 56.100 0.039 0.000 0.995 452 R CB -0.271 29.962 30.300 -0.112 0.000 0.870 452 R HN 0.460 nan 8.270 nan 0.000 0.463 453 H N -0.731 118.486 119.070 0.245 0.000 2.553 453 H HA 0.274 4.481 4.556 -0.582 0.000 0.265 453 H C 0.346 175.810 175.328 0.226 0.000 0.964 453 H CA 0.018 56.177 56.048 0.185 0.000 1.156 453 H CB 0.297 30.129 29.762 0.117 0.000 1.411 453 H HN 0.101 nan 8.280 nan 0.000 0.558 454 A N 0.504 123.600 122.820 0.459 0.000 2.304 454 A HA 0.239 4.210 4.320 -0.582 0.000 0.301 454 A C 0.562 178.340 177.584 0.324 0.000 1.132 454 A CA -0.487 51.796 52.037 0.409 0.000 0.819 454 A CB 0.881 20.154 19.000 0.455 0.000 1.094 454 A HN 0.109 nan 8.150 nan 0.000 0.492 455 D N -0.265 120.286 120.400 0.252 0.000 2.324 455 D HA 0.186 4.477 4.640 -0.582 0.000 0.212 455 D C -0.403 176.091 176.300 0.323 0.000 0.984 455 D CA 0.951 55.119 54.000 0.279 0.000 0.885 455 D CB 0.461 41.338 40.800 0.129 0.000 0.996 455 D HN 0.301 nan 8.370 nan 0.000 0.505 456 L N -0.047 121.296 121.223 0.200 0.000 2.565 456 L HA 0.355 4.346 4.340 -0.582 0.000 0.261 456 L C -1.942 175.016 176.870 0.148 0.000 0.932 456 L CA -0.786 54.141 54.840 0.144 0.000 0.878 456 L CB 2.076 44.183 42.059 0.080 0.000 1.333 456 L HN -0.201 nan 8.230 nan 0.000 0.409 457 F N 5.523 125.487 119.950 0.025 0.000 2.405 457 F HA 0.641 4.818 4.527 -0.583 0.000 0.355 457 F C -0.784 175.041 175.800 0.041 0.000 1.121 457 F CA -0.542 57.471 58.000 0.022 0.000 1.112 457 F CB 0.802 39.839 39.000 0.061 0.000 1.126 457 F HN 0.378 nan 8.300 nan 0.000 0.481 458 L N 5.905 127.128 121.223 -0.001 0.000 2.265 458 L HA 0.313 4.304 4.340 -0.582 0.000 0.289 458 L C -0.334 176.712 176.870 0.293 0.000 1.033 458 L CA -0.837 54.147 54.840 0.240 0.000 0.814 458 L CB 0.891 43.099 42.059 0.249 0.000 1.203 458 L HN 0.555 nan 8.230 nan 0.000 0.423 459 D N 1.956 122.663 120.400 0.512 0.000 2.358 459 D HA 0.323 4.614 4.640 -0.582 0.000 0.244 459 D C -0.045 176.389 176.300 0.224 0.000 1.163 459 D CA -0.026 54.237 54.000 0.439 0.000 0.945 459 D CB 1.276 42.309 40.800 0.388 0.000 1.152 459 D HN 0.574 nan 8.370 nan 0.000 0.451 460 T N -0.901 113.758 114.554 0.174 0.000 2.945 460 T HA 0.548 4.549 4.350 -0.582 0.000 0.286 460 T C -0.690 174.077 174.700 0.112 0.000 1.025 460 T CA -0.738 61.410 62.100 0.081 0.000 1.039 460 T CB 1.402 70.300 68.868 0.051 0.000 1.068 460 T HN 0.482 nan 8.240 nan 0.000 0.497 461 H N 1.387 120.434 119.070 -0.039 0.000 2.759 461 H HA 0.479 4.686 4.556 -0.581 0.000 0.354 461 H C -2.411 172.888 175.328 -0.048 0.000 1.074 461 H CA -1.964 54.060 56.048 -0.040 0.000 1.226 461 H CB 2.628 32.334 29.762 -0.093 0.000 1.648 461 H HN 0.370 nan 8.280 nan 0.000 0.529 462 P HA 0.026 nan 4.420 nan 0.000 0.267 462 P C -0.624 176.531 177.300 -0.241 0.000 1.289 462 P CA 0.349 62.936 63.100 -0.855 0.000 0.866 462 P CB 0.375 31.616 31.700 -0.765 0.000 1.309 463 Y N 1.475 121.646 120.300 -0.214 0.000 2.491 463 Y HA 0.321 4.521 4.550 -0.584 0.000 0.334 463 Y C -0.014 175.876 175.900 -0.017 0.000 0.969 463 Y CA -1.076 56.960 58.100 -0.108 0.000 1.241 463 Y CB 0.392 38.797 38.460 -0.091 0.000 1.105 463 Y HN -0.159 nan 8.280 nan 0.000 0.503 464 N N 3.081 121.978 118.700 0.329 0.000 2.467 464 N HA 0.299 4.690 4.740 -0.582 0.000 0.262 464 N C -0.358 175.263 175.510 0.184 0.000 1.234 464 N CA -0.448 52.732 53.050 0.217 0.000 0.952 464 N CB 0.770 39.374 38.487 0.194 0.000 1.158 464 N HN 0.695 nan 8.380 nan 0.000 0.463 465 A N 0.903 123.830 122.820 0.178 0.000 2.609 465 A HA -0.140 3.831 4.320 -0.582 0.000 0.232 465 A C 0.374 178.075 177.584 0.195 0.000 1.041 465 A CA 0.599 52.740 52.037 0.175 0.000 0.753 465 A CB 0.059 19.148 19.000 0.148 0.000 0.966 465 A HN 0.900 nan 8.150 nan 0.000 0.510 466 H N 1.281 120.397 119.070 0.077 0.000 3.287 466 H HA 0.111 4.317 4.556 -0.582 0.000 0.151 466 H C 1.867 177.215 175.328 0.034 0.000 1.116 466 H CA 1.591 57.703 56.048 0.107 0.000 1.132 466 H CB -0.241 29.629 29.762 0.180 0.000 1.219 466 H HN 0.542 nan 8.280 nan 0.000 0.361 467 T N 0.705 115.322 114.554 0.105 0.000 2.788 467 T HA -0.141 3.860 4.350 -0.582 0.000 0.268 467 T C 1.823 176.573 174.700 0.084 0.000 1.044 467 T CA 2.558 64.657 62.100 -0.001 0.000 1.139 467 T CB -0.626 68.160 68.868 -0.136 0.000 0.867 467 T HN 0.703 nan 8.240 nan 0.000 0.454 468 T N 0.467 115.102 114.554 0.134 0.000 2.962 468 T HA 0.179 4.180 4.350 -0.582 0.000 0.270 468 T C 2.180 176.826 174.700 -0.091 0.000 1.088 468 T CA 0.844 63.076 62.100 0.221 0.000 1.127 468 T CB -0.368 68.761 68.868 0.436 0.000 0.883 468 T HN 0.356 nan 8.240 nan 0.000 0.493 469 A N 1.249 123.967 122.820 -0.168 0.000 1.898 469 A HA 0.145 4.116 4.320 -0.582 0.000 0.214 469 A C 2.661 180.141 177.584 -0.173 0.000 1.183 469 A CA 1.458 53.282 52.037 -0.355 0.000 0.622 469 A CB -1.145 17.733 19.000 -0.204 0.000 0.824 469 A HN 0.490 nan 8.150 nan 0.000 0.444 470 S N -0.009 115.673 115.700 -0.031 0.000 2.370 470 S HA -0.210 3.910 4.470 -0.582 0.000 0.226 470 S C 1.687 176.329 174.600 0.070 0.000 1.033 470 S CA 1.878 60.125 58.200 0.078 0.000 1.011 470 S CB -0.510 62.726 63.200 0.060 0.000 0.852 470 S HN 0.577 nan 8.310 nan 0.000 0.457 471 D N 1.285 121.673 120.400 -0.019 0.000 2.097 471 D HA -0.030 4.261 4.640 -0.582 0.000 0.195 471 D C 2.260 178.286 176.300 -0.458 0.000 0.989 471 D CA 1.376 55.317 54.000 -0.098 0.000 0.827 471 D CB -0.765 40.071 40.800 0.060 0.000 0.966 471 D HN 0.477 nan 8.370 nan 0.000 0.456 472 A N 0.729 123.156 122.820 -0.654 0.000 1.877 472 A HA -0.138 3.832 4.320 -0.582 0.000 0.216 472 A C 2.441 179.831 177.584 -0.323 0.000 1.186 472 A CA 1.108 52.691 52.037 -0.757 0.000 0.620 472 A CB -0.870 17.845 19.000 -0.475 0.000 0.822 472 A HN 0.205 nan 8.150 nan 0.000 0.443 473 L N -1.879 119.263 121.223 -0.134 0.000 2.056 473 L HA -0.185 3.806 4.340 -0.582 0.000 0.207 473 L C 2.583 179.464 176.870 0.018 0.000 1.078 473 L CA 1.295 56.153 54.840 0.030 0.000 0.749 473 L CB -0.552 41.626 42.059 0.199 0.000 0.901 473 L HN 0.773 nan 8.230 nan 0.000 0.433 474 W N 1.549 122.687 121.300 -0.269 0.000 2.321 474 W HA -0.298 4.013 4.660 -0.582 0.000 0.306 474 W C 2.326 178.616 176.519 -0.381 0.000 1.217 474 W CA 2.093 59.073 57.345 -0.607 0.000 1.257 474 W CB -0.116 29.036 29.460 -0.514 0.000 1.145 474 W HN 0.355 nan 8.180 nan 0.000 0.509 475 T N -2.447 111.924 114.554 -0.304 0.000 3.113 475 T HA 0.242 4.243 4.350 -0.582 0.000 0.256 475 T C 1.452 176.010 174.700 -0.236 0.000 1.131 475 T CA 1.165 63.074 62.100 -0.318 0.000 1.074 475 T CB -0.211 68.571 68.868 -0.144 0.000 0.944 475 T HN 0.440 nan 8.240 nan 0.000 0.516 476 G N -0.068 108.607 108.800 -0.208 0.000 2.148 476 G HA2 -0.217 3.394 3.960 -0.582 0.000 0.203 476 G HA3 -0.217 3.394 3.960 -0.582 0.000 0.203 476 G C 0.203 175.032 174.900 -0.118 0.000 0.993 476 G CA -0.291 44.724 45.100 -0.141 0.000 0.661 476 G HN 0.828 nan 8.290 nan 0.000 0.518 477 C N 3.512 122.756 119.300 -0.094 0.000 2.303 477 C HA 0.694 4.805 4.460 -0.582 0.000 0.341 477 C C -1.336 173.592 174.990 -0.103 0.000 1.244 477 C CA -2.094 56.884 59.018 -0.066 0.000 1.765 477 C CB 0.412 28.233 27.740 0.135 0.000 2.379 477 C HN 0.413 nan 8.230 nan 0.000 0.530 478 P HA 0.190 nan 4.420 nan 0.000 0.272 478 P C -0.969 176.332 177.300 0.002 0.000 1.223 478 P CA 0.180 63.213 63.100 -0.112 0.000 0.784 478 P CB 0.696 32.300 31.700 -0.160 0.000 0.923 479 V N 3.637 123.553 119.914 0.002 0.000 2.444 479 V HA 0.249 4.019 4.120 -0.582 0.000 0.294 479 V C 0.162 176.298 176.094 0.071 0.000 1.022 479 V CA -0.724 61.615 62.300 0.065 0.000 0.850 479 V CB 1.421 33.211 31.823 -0.054 0.000 0.992 479 V HN 0.403 nan 8.190 nan 0.000 0.426 480 L N 5.047 126.338 121.223 0.115 0.000 2.295 480 L HA 0.874 4.865 4.340 -0.582 0.000 0.285 480 L C -0.058 176.980 176.870 0.281 0.000 1.035 480 L CA 0.913 55.784 54.840 0.053 0.000 0.806 480 L CB 1.743 43.677 42.059 -0.208 0.000 1.214 480 L HN 0.806 nan 8.230 nan 0.000 0.426 481 T N 1.593 116.318 114.554 0.286 0.000 2.853 481 T HA 0.586 4.586 4.350 -0.582 0.000 0.311 481 T C -1.057 173.815 174.700 0.287 0.000 1.307 481 T CA -0.024 62.279 62.100 0.338 0.000 1.019 481 T CB 1.373 70.368 68.868 0.210 0.000 1.264 481 T HN 0.739 nan 8.240 nan 0.000 0.497 482 T N 2.244 116.924 114.554 0.209 0.000 3.154 482 T HA 0.617 4.618 4.350 -0.582 0.000 0.381 482 T C -2.806 171.945 174.700 0.086 0.000 1.368 482 T CA -1.608 60.557 62.100 0.109 0.000 1.155 482 T CB 0.425 69.274 68.868 -0.033 0.000 1.120 482 T HN 0.333 nan 8.240 nan 0.000 0.570 483 P HA 0.359 nan 4.420 nan 0.000 0.267 483 P C 0.685 178.032 177.300 0.078 0.000 1.200 483 P CA 0.224 63.427 63.100 0.172 0.000 0.772 483 P CB 0.623 32.524 31.700 0.335 0.000 0.855 484 G N 1.392 110.241 108.800 0.082 0.000 3.135 484 G HA2 0.379 3.990 3.960 -0.582 0.000 0.159 484 G HA3 0.379 3.990 3.960 -0.582 0.000 0.159 484 G C -0.205 174.695 174.900 -0.000 0.000 1.244 484 G CA -0.518 44.628 45.100 0.077 0.000 0.965 484 G HN 0.544 nan 8.290 nan 0.000 0.599 485 E N -1.257 118.942 120.200 -0.002 0.000 2.603 485 E HA 0.261 4.262 4.350 -0.582 0.000 0.211 485 E C 0.004 176.561 176.600 -0.071 0.000 0.995 485 E CA -0.172 56.197 56.400 -0.052 0.000 0.990 485 E CB 0.430 30.093 29.700 -0.062 0.000 1.036 485 E HN 0.394 nan 8.360 nan 0.000 0.475 486 T N -3.464 111.060 114.554 -0.050 0.000 2.896 486 T HA 0.290 4.291 4.350 -0.582 0.000 0.297 486 T C 0.183 174.901 174.700 0.030 0.000 1.108 486 T CA -0.890 61.192 62.100 -0.031 0.000 1.004 486 T CB 1.046 69.854 68.868 -0.101 0.000 1.159 486 T HN 0.063 nan 8.240 nan 0.000 0.499 487 F N 1.699 121.611 119.950 -0.063 0.000 2.120 487 F HA -0.029 4.149 4.527 -0.582 0.000 0.300 487 F C 2.524 178.250 175.800 -0.124 0.000 1.095 487 F CA 2.106 60.059 58.000 -0.078 0.000 1.249 487 F CB -0.492 38.487 39.000 -0.034 0.000 0.995 487 F HN 0.775 nan 8.300 nan 0.000 0.480 488 A N -0.214 122.671 122.820 0.108 0.000 2.067 488 A HA 0.106 4.076 4.320 -0.582 0.000 0.219 488 A C 1.970 179.558 177.584 0.007 0.000 1.158 488 A CA 1.194 53.226 52.037 -0.008 0.000 0.661 488 A CB -1.144 17.662 19.000 -0.323 0.000 0.801 488 A HN 0.442 nan 8.150 nan 0.000 0.452 489 A N -1.153 121.657 122.820 -0.018 0.000 2.379 489 A HA 0.347 4.317 4.320 -0.582 0.000 0.236 489 A C 1.514 179.148 177.584 0.083 0.000 1.272 489 A CA -0.052 52.013 52.037 0.046 0.000 0.886 489 A CB -0.091 18.925 19.000 0.026 0.000 0.962 489 A HN 0.446 nan 8.150 nan 0.000 0.504 490 R N -1.652 118.859 120.500 0.018 0.000 2.541 490 R HA 0.168 4.159 4.340 -0.582 0.000 0.332 490 R C 0.929 177.271 176.300 0.070 0.000 0.951 490 R CA 0.238 56.381 56.100 0.073 0.000 1.136 490 R CB 0.429 30.694 30.300 -0.059 0.000 1.449 490 R HN 0.275 nan 8.270 nan 0.000 0.531 491 V N 1.107 121.010 119.914 -0.018 0.000 2.270 491 V HA -0.222 3.549 4.120 -0.582 0.000 0.245 491 V C 2.462 178.613 176.094 0.094 0.000 1.043 491 V CA 2.440 64.768 62.300 0.047 0.000 1.014 491 V CB -0.483 31.372 31.823 0.053 0.000 0.645 491 V HN 0.376 nan 8.190 nan 0.000 0.447 492 A N 0.496 123.365 122.820 0.082 0.000 1.902 492 A HA -0.109 3.862 4.320 -0.582 0.000 0.217 492 A C 2.400 179.985 177.584 0.003 0.000 1.181 492 A CA 1.965 54.029 52.037 0.046 0.000 0.623 492 A CB -1.262 17.783 19.000 0.075 0.000 0.818 492 A HN 0.554 nan 8.150 nan 0.000 0.443 493 G N -0.992 107.828 108.800 0.033 0.000 2.432 493 G HA2 -0.192 3.419 3.960 -0.582 0.000 0.219 493 G HA3 -0.192 3.419 3.960 -0.582 0.000 0.219 493 G C 1.892 176.400 174.900 -0.654 0.000 1.135 493 G CA 1.483 46.491 45.100 -0.153 0.000 0.767 493 G HN 0.572 nan 8.290 nan 0.000 0.550 494 S N -0.196 115.328 115.700 -0.293 0.000 2.368 494 S HA 0.033 4.154 4.470 -0.582 0.000 0.224 494 S C 2.424 177.039 174.600 0.025 0.000 1.029 494 S CA 0.801 58.906 58.200 -0.158 0.000 0.988 494 S CB -0.250 63.127 63.200 0.294 0.000 0.838 494 S HN 0.343 nan 8.310 nan 0.000 0.462 495 L N 1.547 122.763 121.223 -0.012 0.000 2.012 495 L HA -0.157 3.834 4.340 -0.582 0.000 0.210 495 L C 2.493 179.318 176.870 -0.076 0.000 1.073 495 L CA 1.426 56.244 54.840 -0.037 0.000 0.748 495 L CB -0.819 41.203 42.059 -0.061 0.000 0.891 495 L HN 0.326 nan 8.230 nan 0.000 0.431 496 N N -0.702 117.923 118.700 -0.124 0.000 2.069 496 N HA -0.242 4.149 4.740 -0.582 0.000 0.191 496 N C 1.802 177.203 175.510 -0.182 0.000 1.031 496 N CA 1.576 54.545 53.050 -0.136 0.000 0.852 496 N CB -0.526 37.885 38.487 -0.127 0.000 1.018 496 N HN 0.442 nan 8.380 nan 0.000 0.423 497 H N -0.224 118.593 119.070 -0.421 0.000 2.321 497 H HA -0.049 4.158 4.556 -0.582 0.000 0.300 497 H C 1.626 176.721 175.328 -0.388 0.000 1.087 497 H CA 2.030 57.790 56.048 -0.479 0.000 1.319 497 H CB -0.192 29.065 29.762 -0.842 0.000 1.379 497 H HN 0.376 nan 8.280 nan 0.000 0.501 498 H N -1.252 117.718 119.070 -0.168 0.000 2.462 498 H HA -0.005 4.202 4.556 -0.582 0.000 0.292 498 H C 1.915 177.143 175.328 -0.168 0.000 1.049 498 H CA 0.837 56.792 56.048 -0.155 0.000 1.334 498 H CB 0.126 29.862 29.762 -0.043 0.000 1.404 498 H HN 0.258 nan 8.280 nan 0.000 0.544 499 L N -0.452 120.726 121.223 -0.075 0.000 2.141 499 L HA 0.063 4.054 4.340 -0.582 0.000 0.209 499 L C 1.634 178.447 176.870 -0.096 0.000 1.094 499 L CA 1.804 56.598 54.840 -0.077 0.000 0.763 499 L CB -0.383 41.638 42.059 -0.064 0.000 0.908 499 L HN 0.494 nan 8.230 nan 0.000 0.437 500 G N -1.396 107.308 108.800 -0.160 0.000 2.138 500 G HA2 -0.210 3.400 3.960 -0.582 0.000 0.193 500 G HA3 -0.210 3.400 3.960 -0.582 0.000 0.193 500 G C 0.344 175.175 174.900 -0.114 0.000 0.998 500 G CA 0.119 45.127 45.100 -0.153 0.000 0.668 500 G HN 0.245 nan 8.290 nan 0.000 0.516 501 L N 1.000 122.156 121.223 -0.111 0.000 3.084 501 L HA 0.330 4.321 4.340 -0.582 0.000 0.238 501 L C 1.250 178.077 176.870 -0.071 0.000 1.327 501 L CA -0.330 54.464 54.840 -0.077 0.000 1.094 501 L CB 0.371 42.392 42.059 -0.065 0.000 1.477 501 L HN 0.088 nan 8.230 nan 0.000 0.514 502 D N 0.171 120.529 120.400 -0.070 0.000 2.265 502 D HA -0.227 4.063 4.640 -0.582 0.000 0.208 502 D C 2.065 178.361 176.300 -0.007 0.000 0.977 502 D CA 0.949 54.931 54.000 -0.029 0.000 0.871 502 D CB 0.265 41.068 40.800 0.005 0.000 0.925 502 D HN 0.475 nan 8.370 nan 0.000 0.485 503 E N 0.555 120.746 120.200 -0.016 0.000 2.409 503 E HA -0.162 3.839 4.350 -0.582 0.000 0.198 503 E C 1.202 177.797 176.600 -0.009 0.000 1.024 503 E CA 0.660 57.056 56.400 -0.007 0.000 0.861 503 E CB -0.060 29.633 29.700 -0.012 0.000 0.788 503 E HN 0.270 nan 8.360 nan 0.000 0.521 504 M N 1.158 120.749 119.600 -0.016 0.000 2.495 504 M HA 0.163 4.294 4.480 -0.582 0.000 0.237 504 M C -0.244 176.065 176.300 0.016 0.000 1.131 504 M CA 0.074 55.366 55.300 -0.015 0.000 1.032 504 M CB -0.494 32.090 32.600 -0.026 0.000 1.513 504 M HN -0.094 nan 8.290 nan 0.000 0.488 505 N N 1.674 120.392 118.700 0.029 0.000 2.485 505 N HA 0.377 4.768 4.740 -0.582 0.000 0.243 505 N C -0.383 175.179 175.510 0.087 0.000 0.987 505 N CA -0.088 53.007 53.050 0.075 0.000 0.940 505 N CB 1.749 40.288 38.487 0.087 0.000 1.122 505 N HN 0.030 nan 8.380 nan 0.000 0.509 506 V N -0.866 119.111 119.914 0.105 0.000 3.096 506 V HA 0.801 4.572 4.120 -0.582 0.000 0.319 506 V C 1.127 177.271 176.094 0.085 0.000 1.103 506 V CA -0.767 61.586 62.300 0.089 0.000 1.016 506 V CB 1.332 33.210 31.823 0.091 0.000 1.090 506 V HN 0.432 nan 8.190 nan 0.000 0.449 507 A N 0.977 123.832 122.820 0.058 0.000 1.970 507 A HA 0.294 4.264 4.320 -0.582 0.000 0.216 507 A C 0.706 178.294 177.584 0.005 0.000 1.170 507 A CA 1.607 53.662 52.037 0.031 0.000 0.645 507 A CB -0.768 18.245 19.000 0.022 0.000 0.816 507 A HN 1.283 nan 8.150 nan 0.000 0.447 508 D N -4.225 116.186 120.400 0.018 0.000 2.779 508 D HA 0.222 4.512 4.640 -0.582 0.000 0.331 508 D C -0.482 175.827 176.300 0.016 0.000 1.331 508 D CA -0.348 53.639 54.000 -0.021 0.000 0.866 508 D CB -0.329 40.458 40.800 -0.022 0.000 1.409 508 D HN -0.202 nan 8.370 nan 0.000 0.486 509 D N -0.401 119.980 120.400 -0.032 0.000 2.117 509 D HA -0.027 4.264 4.640 -0.582 0.000 0.197 509 D C 1.997 178.346 176.300 0.083 0.000 0.987 509 D CA 2.358 56.351 54.000 -0.012 0.000 0.829 509 D CB -0.500 40.263 40.800 -0.061 0.000 0.961 509 D HN 0.499 nan 8.370 nan 0.000 0.460 510 A N 0.815 123.667 122.820 0.053 0.000 1.877 510 A HA -0.073 3.897 4.320 -0.582 0.000 0.216 510 A C 2.274 179.905 177.584 0.079 0.000 1.186 510 A CA 2.280 54.352 52.037 0.058 0.000 0.620 510 A CB -0.784 18.235 19.000 0.031 0.000 0.822 510 A HN 0.239 nan 8.150 nan 0.000 0.443 511 A N -1.758 121.110 122.820 0.080 0.000 2.015 511 A HA 0.060 4.031 4.320 -0.582 0.000 0.219 511 A C 1.983 179.631 177.584 0.108 0.000 1.163 511 A CA 1.323 53.404 52.037 0.073 0.000 0.646 511 A CB -0.604 18.431 19.000 0.059 0.000 0.806 511 A HN 0.664 nan 8.150 nan 0.000 0.448 512 F N 0.230 120.179 119.950 -0.002 0.000 2.128 512 F HA -0.102 4.076 4.527 -0.582 0.000 0.295 512 F C 2.179 177.985 175.800 0.009 0.000 1.100 512 F CA 1.871 59.875 58.000 0.006 0.000 1.260 512 F CB -0.098 38.904 39.000 0.004 0.000 1.009 512 F HN 0.021 nan 8.300 nan 0.000 0.476 513 V N 0.751 120.831 119.914 0.277 0.000 2.343 513 V HA -0.300 3.470 4.120 -0.582 0.000 0.247 513 V C 2.750 178.861 176.094 0.028 0.000 1.051 513 V CA 1.753 64.141 62.300 0.147 0.000 1.036 513 V CB -1.511 30.398 31.823 0.143 0.000 0.654 513 V HN 0.497 nan 8.190 nan 0.000 0.451 514 A N -0.005 122.832 122.820 0.029 0.000 1.908 514 A HA -0.309 3.662 4.320 -0.582 0.000 0.218 514 A C 2.231 179.797 177.584 -0.031 0.000 1.181 514 A CA 2.529 54.567 52.037 0.002 0.000 0.627 514 A CB -0.500 18.506 19.000 0.011 0.000 0.818 514 A HN 0.483 nan 8.150 nan 0.000 0.445 515 K N -0.102 120.263 120.400 -0.059 0.000 2.001 515 K HA 0.078 4.049 4.320 -0.582 0.000 0.208 515 K C 2.102 178.628 176.600 -0.124 0.000 1.048 515 K CA 1.615 57.847 56.287 -0.091 0.000 0.932 515 K CB -0.691 31.741 32.500 -0.113 0.000 0.715 515 K HN 0.304 nan 8.250 nan 0.000 0.437 516 A N 0.191 122.885 122.820 -0.209 0.000 1.917 516 A HA -0.164 3.806 4.320 -0.582 0.000 0.219 516 A C 2.362 179.896 177.584 -0.083 0.000 1.182 516 A CA 2.114 54.043 52.037 -0.180 0.000 0.633 516 A CB -0.952 17.893 19.000 -0.259 0.000 0.819 516 A HN 0.158 nan 8.150 nan 0.000 0.448 517 V N -0.537 119.342 119.914 -0.058 0.000 2.427 517 V HA -0.204 3.567 4.120 -0.582 0.000 0.248 517 V C 3.009 179.087 176.094 -0.027 0.000 1.051 517 V CA 1.901 64.183 62.300 -0.030 0.000 1.048 517 V CB -0.985 30.829 31.823 -0.015 0.000 0.666 517 V HN 0.638 nan 8.190 nan 0.000 0.456 518 A N -0.580 122.222 122.820 -0.030 0.000 1.929 518 A HA -0.075 3.896 4.320 -0.582 0.000 0.216 518 A C 2.181 179.754 177.584 -0.019 0.000 1.176 518 A CA 1.410 53.434 52.037 -0.022 0.000 0.628 518 A CB -0.387 18.601 19.000 -0.021 0.000 0.816 518 A HN 0.486 nan 8.150 nan 0.000 0.444 519 L N -0.789 120.419 121.223 -0.025 0.000 2.005 519 L HA -0.136 3.855 4.340 -0.582 0.000 0.207 519 L C 3.002 179.869 176.870 -0.006 0.000 1.072 519 L CA 1.146 55.979 54.840 -0.011 0.000 0.744 519 L CB -0.453 41.599 42.059 -0.013 0.000 0.895 519 L HN 0.392 nan 8.230 nan 0.000 0.433 520 A N -1.019 121.793 122.820 -0.014 0.000 2.121 520 A HA -0.102 3.869 4.320 -0.582 0.000 0.218 520 A C 2.241 179.816 177.584 -0.015 0.000 1.154 520 A CA 1.579 53.609 52.037 -0.011 0.000 0.679 520 A CB -0.341 18.650 19.000 -0.015 0.000 0.795 520 A HN 0.415 nan 8.150 nan 0.000 0.458 521 S N -0.604 115.087 115.700 -0.015 0.000 2.575 521 S HA 0.084 4.205 4.470 -0.582 0.000 0.215 521 S C 0.094 174.685 174.600 -0.015 0.000 0.966 521 S CA 0.134 58.324 58.200 -0.016 0.000 0.911 521 S CB 0.146 63.337 63.200 -0.015 0.000 0.780 521 S HN 0.563 nan 8.310 nan 0.000 0.514 522 D N 0.769 121.161 120.400 -0.013 0.000 2.330 522 D HA 0.305 4.596 4.640 -0.582 0.000 0.249 522 D C -2.349 173.944 176.300 -0.011 0.000 1.306 522 D CA -2.113 51.880 54.000 -0.012 0.000 0.956 522 D CB 1.564 42.359 40.800 -0.009 0.000 1.261 522 D HN -0.177 nan 8.370 nan 0.000 0.544 523 P HA -0.189 nan 4.420 nan 0.000 0.216 523 P C 1.172 178.460 177.300 -0.021 0.000 1.154 523 P CA 1.710 64.794 63.100 -0.026 0.000 0.865 523 P CB 0.319 32.002 31.700 -0.028 0.000 0.789 524 A N 0.046 122.858 122.820 -0.014 0.000 1.851 524 A HA -0.156 3.815 4.320 -0.582 0.000 0.216 524 A C 2.410 179.994 177.584 0.001 0.000 1.195 524 A CA 2.565 54.597 52.037 -0.008 0.000 0.622 524 A CB -1.674 17.321 19.000 -0.008 0.000 0.831 524 A HN 0.207 nan 8.150 nan 0.000 0.444 525 A N -0.639 122.183 122.820 0.003 0.000 1.908 525 A HA -0.095 3.875 4.320 -0.582 0.000 0.218 525 A C 2.242 179.845 177.584 0.032 0.000 1.181 525 A CA 1.592 53.635 52.037 0.011 0.000 0.627 525 A CB -0.608 18.395 19.000 0.004 0.000 0.818 525 A HN 0.512 nan 8.150 nan 0.000 0.445 526 L N -0.030 121.214 121.223 0.034 0.000 2.027 526 L HA -0.173 3.818 4.340 -0.582 0.000 0.206 526 L C 3.059 179.995 176.870 0.111 0.000 1.074 526 L CA 2.299 57.188 54.840 0.082 0.000 0.745 526 L CB -0.735 41.342 42.059 0.029 0.000 0.898 526 L HN 0.704 nan 8.230 nan 0.000 0.433 527 T N -2.888 111.675 114.554 0.016 0.000 2.788 527 T HA -0.124 3.877 4.350 -0.582 0.000 0.268 527 T C 1.859 176.595 174.700 0.059 0.000 1.044 527 T CA 0.946 63.046 62.100 0.001 0.000 1.139 527 T CB -0.468 68.381 68.868 -0.031 0.000 0.867 527 T HN 0.351 nan 8.240 nan 0.000 0.454 528 A N 1.542 124.390 122.820 0.046 0.000 1.933 528 A HA 0.137 4.107 4.320 -0.582 0.000 0.218 528 A C 2.325 179.942 177.584 0.054 0.000 1.175 528 A CA 1.563 53.624 52.037 0.040 0.000 0.628 528 A CB -0.870 18.143 19.000 0.021 0.000 0.814 528 A HN 0.489 nan 8.150 nan 0.000 0.444 529 L N -0.625 120.644 121.223 0.075 0.000 2.056 529 L HA -0.154 3.837 4.340 -0.582 0.000 0.207 529 L C 2.293 179.187 176.870 0.041 0.000 1.078 529 L CA 2.201 57.071 54.840 0.050 0.000 0.749 529 L CB -0.921 41.164 42.059 0.043 0.000 0.901 529 L HN 0.536 nan 8.230 nan 0.000 0.433 530 H N -0.495 118.573 119.070 -0.003 0.000 2.352 530 H HA -0.148 4.059 4.556 -0.582 0.000 0.299 530 H C 2.080 177.400 175.328 -0.012 0.000 1.097 530 H CA 1.370 57.416 56.048 -0.004 0.000 1.311 530 H CB -0.069 29.692 29.762 -0.001 0.000 1.377 530 H HN 0.564 nan 8.280 nan 0.000 0.504 531 A N 1.215 124.096 122.820 0.103 0.000 1.877 531 A HA -0.213 3.758 4.320 -0.582 0.000 0.216 531 A C 2.448 180.041 177.584 0.015 0.000 1.186 531 A CA 1.629 53.692 52.037 0.043 0.000 0.620 531 A CB -0.571 18.448 19.000 0.031 0.000 0.822 531 A HN 0.277 nan 8.150 nan 0.000 0.443 532 R N -0.625 119.881 120.500 0.010 0.000 2.080 532 R HA -0.126 3.864 4.340 -0.582 0.000 0.236 532 R C 2.015 178.306 176.300 -0.015 0.000 1.137 532 R CA 1.914 58.011 56.100 -0.005 0.000 0.943 532 R CB -0.588 29.707 30.300 -0.009 0.000 0.846 532 R HN 0.300 nan 8.270 nan 0.000 0.431 533 V N 1.195 121.090 119.914 -0.032 0.000 2.332 533 V HA -0.297 3.473 4.120 -0.582 0.000 0.248 533 V C 2.022 178.103 176.094 -0.023 0.000 1.055 533 V CA 2.173 64.449 62.300 -0.040 0.000 1.038 533 V CB -0.524 31.242 31.823 -0.095 0.000 0.651 533 V HN 0.474 nan 8.190 nan 0.000 0.450 534 D N -0.211 120.172 120.400 -0.028 0.000 2.117 534 D HA -0.135 4.156 4.640 -0.582 0.000 0.197 534 D C 2.167 178.455 176.300 -0.020 0.000 0.987 534 D CA 1.552 55.531 54.000 -0.035 0.000 0.829 534 D CB 0.164 40.948 40.800 -0.026 0.000 0.961 534 D HN 0.314 nan 8.370 nan 0.000 0.460 535 V N 1.328 121.238 119.914 -0.008 0.000 2.287 535 V HA -0.235 3.536 4.120 -0.582 0.000 0.248 535 V C 2.623 178.726 176.094 0.015 0.000 1.053 535 V CA 1.173 63.473 62.300 0.000 0.000 1.027 535 V CB -0.369 31.453 31.823 -0.001 0.000 0.646 535 V HN 0.238 nan 8.190 nan 0.000 0.447 536 L N -0.554 120.680 121.223 0.017 0.000 2.217 536 L HA -0.091 3.899 4.340 -0.582 0.000 0.211 536 L C 2.654 179.573 176.870 0.083 0.000 1.107 536 L CA 1.180 56.037 54.840 0.029 0.000 0.783 536 L CB -0.575 41.487 42.059 0.006 0.000 0.919 536 L HN 0.258 nan 8.230 nan 0.000 0.442 537 R N 1.232 121.795 120.500 0.105 0.000 2.105 537 R HA -0.188 3.803 4.340 -0.582 0.000 0.239 537 R C 2.313 178.750 176.300 0.229 0.000 1.135 537 R CA 1.785 58.015 56.100 0.217 0.000 0.967 537 R CB 0.029 30.371 30.300 0.069 0.000 0.861 537 R HN 0.452 nan 8.270 nan 0.000 0.442 538 R N -1.701 118.868 120.500 0.115 0.000 2.254 538 R HA 0.271 4.262 4.340 -0.582 0.000 0.193 538 R C 1.809 178.165 176.300 0.094 0.000 0.929 538 R CA 0.649 56.818 56.100 0.116 0.000 1.038 538 R CB 0.054 30.389 30.300 0.058 0.000 1.009 538 R HN 0.057 nan 8.270 nan 0.000 0.512 539 A N 1.630 124.487 122.820 0.062 0.000 2.132 539 A HA 0.094 4.065 4.320 -0.582 0.000 0.213 539 A C 1.227 178.825 177.584 0.024 0.000 1.154 539 A CA 0.455 52.512 52.037 0.032 0.000 0.753 539 A CB -0.022 18.987 19.000 0.015 0.000 0.826 539 A HN 0.440 nan 8.150 nan 0.000 0.469 540 S N -1.746 113.977 115.700 0.038 0.000 2.707 540 S HA 0.522 4.643 4.470 -0.582 0.000 0.276 540 S C 1.000 175.624 174.600 0.040 0.000 1.179 540 S CA 0.021 58.232 58.200 0.018 0.000 0.992 540 S CB 1.312 64.513 63.200 0.000 0.000 1.030 540 S HN 0.476 nan 8.310 nan 0.000 0.554 541 G N -0.283 108.534 108.800 0.028 0.000 3.141 541 G HA2 0.187 3.798 3.960 -0.582 0.000 0.218 541 G HA3 0.187 3.798 3.960 -0.582 0.000 0.218 541 G C 0.891 175.841 174.900 0.084 0.000 1.170 541 G CA 0.003 45.141 45.100 0.064 0.000 0.769 541 G HN 0.555 nan 8.290 nan 0.000 0.546 542 V N 0.237 120.134 119.914 -0.028 0.000 2.380 542 V HA -0.116 3.655 4.120 -0.582 0.000 0.251 542 V C 1.532 177.430 176.094 -0.326 0.000 1.063 542 V CA 1.341 63.508 62.300 -0.222 0.000 1.055 542 V CB -0.471 31.079 31.823 -0.456 0.000 0.657 542 V HN 0.384 nan 8.190 nan 0.000 0.455 543 F N -1.323 118.726 119.950 0.165 0.000 2.750 543 F HA 0.328 4.506 4.527 -0.583 0.000 0.297 543 F C 0.584 176.486 175.800 0.170 0.000 1.138 543 F CA -0.711 57.385 58.000 0.160 0.000 1.346 543 F CB -0.462 38.722 39.000 0.306 0.000 0.965 543 F HN 0.140 nan 8.300 nan 0.000 0.514 544 H N 0.645 119.831 119.070 0.193 0.000 2.700 544 H HA 0.277 4.484 4.556 -0.582 0.000 0.269 544 H C 1.249 176.655 175.328 0.129 0.000 1.222 544 H CA -0.241 55.896 56.048 0.149 0.000 1.254 544 H CB 0.554 30.390 29.762 0.124 0.000 1.413 544 H HN -0.017 nan 8.280 nan 0.000 0.507 545 M N 2.085 121.637 119.600 -0.081 0.000 2.394 545 M HA -0.066 4.065 4.480 -0.582 0.000 0.264 545 M C 0.949 177.232 176.300 -0.029 0.000 1.073 545 M CA 0.632 55.898 55.300 -0.056 0.000 1.111 545 M CB -0.167 32.326 32.600 -0.178 0.000 1.401 545 M HN 0.614 nan 8.290 nan 0.000 0.448 546 D N 0.534 120.818 120.400 -0.194 0.000 2.097 546 D HA -0.086 4.205 4.640 -0.582 0.000 0.195 546 D C 2.077 178.480 176.300 0.171 0.000 0.989 546 D CA 1.687 55.654 54.000 -0.055 0.000 0.827 546 D CB -0.492 40.228 40.800 -0.134 0.000 0.966 546 D HN 0.404 nan 8.370 nan 0.000 0.456 547 G N -0.166 108.893 108.800 0.431 0.000 2.446 547 G HA2 -0.304 3.306 3.960 -0.582 0.000 0.217 547 G HA3 -0.304 3.306 3.960 -0.582 0.000 0.217 547 G C 1.612 176.657 174.900 0.242 0.000 1.168 547 G CA 0.453 45.771 45.100 0.363 0.000 0.771 547 G HN 0.289 nan 8.290 nan 0.000 0.551 548 F N 2.049 122.060 119.950 0.102 0.000 2.126 548 F HA -0.035 4.142 4.527 -0.582 0.000 0.299 548 F C 2.883 178.723 175.800 0.066 0.000 1.096 548 F CA 1.493 59.526 58.000 0.054 0.000 1.255 548 F CB 0.082 39.076 39.000 -0.010 0.000 0.997 548 F HN 0.241 nan 8.300 nan 0.000 0.479 549 A N -0.389 122.623 122.820 0.321 0.000 1.929 549 A HA -0.148 3.823 4.320 -0.582 0.000 0.216 549 A C 1.867 179.573 177.584 0.204 0.000 1.176 549 A CA 1.699 53.879 52.037 0.238 0.000 0.628 549 A CB -0.789 18.283 19.000 0.120 0.000 0.816 549 A HN 0.373 nan 8.150 nan 0.000 0.444 550 D N 0.191 120.686 120.400 0.158 0.000 2.092 550 D HA -0.172 4.119 4.640 -0.582 0.000 0.193 550 D C 1.660 178.017 176.300 0.095 0.000 0.994 550 D CA 1.784 55.854 54.000 0.117 0.000 0.828 550 D CB -0.452 40.410 40.800 0.104 0.000 0.963 550 D HN 0.515 nan 8.370 nan 0.000 0.450 551 D N -0.516 119.927 120.400 0.071 0.000 2.078 551 D HA -0.183 4.108 4.640 -0.582 0.000 0.193 551 D C 2.009 178.325 176.300 0.027 0.000 0.990 551 D CA 0.770 54.778 54.000 0.013 0.000 0.827 551 D CB -0.490 40.268 40.800 -0.071 0.000 0.975 551 D HN 0.147 nan 8.370 nan 0.000 0.451 552 F N 0.729 120.624 119.950 -0.093 0.000 2.069 552 F HA -0.048 4.130 4.527 -0.583 0.000 0.298 552 F C 2.261 178.040 175.800 -0.035 0.000 1.113 552 F CA 2.432 60.378 58.000 -0.089 0.000 1.214 552 F CB -0.650 38.343 39.000 -0.012 0.000 0.978 552 F HN 0.064 nan 8.300 nan 0.000 0.474 553 G N -0.620 108.275 108.800 0.159 0.000 2.422 553 G HA2 -0.187 3.424 3.960 -0.582 0.000 0.218 553 G HA3 -0.187 3.424 3.960 -0.582 0.000 0.218 553 G C 1.765 176.663 174.900 -0.004 0.000 1.146 553 G CA 0.697 45.834 45.100 0.063 0.000 0.769 553 G HN 0.626 nan 8.290 nan 0.000 0.547 554 A N 0.455 123.285 122.820 0.017 0.000 1.930 554 A HA 0.087 4.058 4.320 -0.582 0.000 0.217 554 A C 2.308 179.877 177.584 -0.025 0.000 1.175 554 A CA 1.577 53.626 52.037 0.020 0.000 0.627 554 A CB -0.380 18.638 19.000 0.029 0.000 0.815 554 A HN 0.440 nan 8.150 nan 0.000 0.443 555 L N -0.129 121.039 121.223 -0.091 0.000 2.083 555 L HA -0.086 3.905 4.340 -0.582 0.000 0.209 555 L C 2.178 178.948 176.870 -0.167 0.000 1.083 555 L CA 1.578 56.339 54.840 -0.133 0.000 0.752 555 L CB -0.533 41.412 42.059 -0.190 0.000 0.899 555 L HN 0.403 nan 8.230 nan 0.000 0.433 556 L N -1.106 119.982 121.223 -0.226 0.000 2.056 556 L HA -0.213 3.777 4.340 -0.582 0.000 0.207 556 L C 2.635 179.430 176.870 -0.126 0.000 1.078 556 L CA 1.327 56.043 54.840 -0.206 0.000 0.749 556 L CB -0.624 41.298 42.059 -0.228 0.000 0.901 556 L HN 0.389 nan 8.230 nan 0.000 0.433 557 Q N -0.113 119.665 119.800 -0.036 0.000 2.079 557 Q HA -0.168 3.823 4.340 -0.582 0.000 0.200 557 Q C 2.471 178.597 176.000 0.209 0.000 0.974 557 Q CA 1.523 57.415 55.803 0.148 0.000 0.840 557 Q CB -0.272 28.654 28.738 0.314 0.000 0.898 557 Q HN 0.548 nan 8.270 nan 0.000 0.430 558 A N 1.215 124.092 122.820 0.094 0.000 1.902 558 A HA -0.184 3.787 4.320 -0.582 0.000 0.217 558 A C 2.097 179.708 177.584 0.045 0.000 1.181 558 A CA 1.215 53.294 52.037 0.070 0.000 0.623 558 A CB -0.675 18.338 19.000 0.022 0.000 0.818 558 A HN 0.334 nan 8.150 nan 0.000 0.443 559 L N -0.036 121.168 121.223 -0.031 0.000 2.012 559 L HA -0.128 3.863 4.340 -0.582 0.000 0.210 559 L C 2.641 179.539 176.870 0.047 0.000 1.073 559 L CA 2.421 57.210 54.840 -0.084 0.000 0.748 559 L CB -0.881 41.024 42.059 -0.257 0.000 0.891 559 L HN 0.345 nan 8.230 nan 0.000 0.431 560 A N -0.776 122.066 122.820 0.037 0.000 1.972 560 A HA -0.231 3.740 4.320 -0.582 0.000 0.219 560 A C 2.519 180.292 177.584 0.314 0.000 1.169 560 A CA 1.700 53.806 52.037 0.115 0.000 0.635 560 A CB -0.618 18.308 19.000 -0.124 0.000 0.810 560 A HN 0.510 nan 8.150 nan 0.000 0.446 561 R N -0.641 120.052 120.500 0.320 0.000 2.092 561 R HA -0.034 3.956 4.340 -0.582 0.000 0.231 561 R C 2.335 178.711 176.300 0.127 0.000 1.119 561 R CA 1.160 57.406 56.100 0.243 0.000 0.970 561 R CB -0.187 30.214 30.300 0.168 0.000 0.864 561 R HN 0.500 nan 8.270 nan 0.000 0.440 562 R N -1.018 119.536 120.500 0.090 0.000 2.127 562 R HA -0.106 3.884 4.340 -0.582 0.000 0.238 562 R C 1.085 177.309 176.300 -0.128 0.000 1.134 562 R CA 1.105 57.189 56.100 -0.028 0.000 0.975 562 R CB -0.084 30.184 30.300 -0.053 0.000 0.865 562 R HN 0.423 nan 8.270 nan 0.000 0.447 563 H N -1.653 117.456 119.070 0.064 0.000 2.505 563 H HA 0.185 4.392 4.556 -0.582 0.000 0.289 563 H C 0.872 176.252 175.328 0.086 0.000 1.052 563 H CA 0.727 56.815 56.048 0.067 0.000 1.156 563 H CB 1.293 31.091 29.762 0.061 0.000 1.507 563 H HN 0.493 nan 8.280 nan 0.000 0.548 564 G N 0.773 109.668 108.800 0.159 0.000 2.184 564 G HA2 -0.231 3.380 3.960 -0.582 0.000 0.206 564 G HA3 -0.231 3.380 3.960 -0.582 0.000 0.206 564 G C -0.129 174.885 174.900 0.190 0.000 0.995 564 G CA -0.208 44.972 45.100 0.132 0.000 0.651 564 G HN 0.352 nan 8.290 nan 0.000 0.511 565 W N 1.328 122.652 121.300 0.039 0.000 2.308 565 W HA 0.595 4.906 4.660 -0.581 0.000 0.324 565 W C 0.536 177.067 176.519 0.019 0.000 1.387 565 W CA -0.255 57.107 57.345 0.029 0.000 1.250 565 W CB 0.446 29.926 29.460 0.033 0.000 1.257 565 W HN -0.027 nan 8.180 nan 0.000 0.554 566 L N 6.707 127.690 121.223 -0.400 0.000 2.667 566 L HA 0.393 4.384 4.340 -0.582 0.000 0.232 566 L C 1.235 177.640 176.870 -0.776 0.000 1.138 566 L CA 0.800 55.371 54.840 -0.447 0.000 0.921 566 L CB -0.715 41.206 42.059 -0.230 0.000 1.180 566 L HN 0.804 nan 8.230 nan 0.000 0.487 567 G N 0.000 107.770 108.800 -1.717 0.000 5.446 567 G HA2 0.000 3.611 3.960 -0.582 0.000 0.244 567 G HA3 0.000 3.611 3.960 -0.582 0.000 0.244 567 G CA 0.000 44.102 45.100 -1.663 0.000 0.502 567 G HN 0.000 nan 8.290 nan 0.000 0.925