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 1f4j_1_C DATA FIRST_RESID 24 DATA SEQUENCE ADVLTTGAGN PVGDKLNVIT VGPRGPLLVQ DVVFTDEMAH FDRERIPERV DATA SEQUENCE VHAKGAGAFG YFEVTHDITK YSKAKVFEHI GKKTPIAVRF STVAGESGSA DATA SEQUENCE DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF FIRDPILFPS FIHSQKRNPQ DATA SEQUENCE THLKDPDMVW DFWSLRPESL HQVSFLFSDR GIPDGHRHMN GYGSHTFKLV DATA SEQUENCE NANGEAVYCK FHYKTDQGIK NLSVEDAARL SQEDPDYGIR DLFNAIATGK DATA SEQUENCE YPSWTFYIQV MTFNQAETFP FNPFDLTKVW PHKDYPLIPV GKLVLNRNPV DATA SEQUENCE NYFAEVEQIA FDPSNMPPGI EASPDKMLQG RLFAYPDTHR HRLGPNYLHI DATA SEQUENCE PVNCPYRARV ANYQRDGPMC MQDNQGGAPN YYPNSFGAPE QQPSALEHSI DATA SEQUENCE QYSGEVRRFN TANDDNVTQV RAFYVNVLNE EQRKRLCENI AGHLKDAQIF DATA SEQUENCE IQKKAVKNFT EVHPDYGSHI QALLDKYNAE K 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.582 177.584 -0.003 0.000 1.274 24 A CA 0.000 52.036 52.037 -0.002 0.000 0.836 24 A CB 0.000 18.999 19.000 -0.002 0.000 0.831 25 D N 0.784 121.181 120.400 -0.004 0.000 2.361 25 D HA 0.298 4.937 4.640 -0.000 0.000 0.239 25 D C 0.445 176.742 176.300 -0.006 0.000 1.200 25 D CA 0.238 54.234 54.000 -0.006 0.000 0.915 25 D CB 1.095 41.891 40.800 -0.007 0.000 1.170 25 D HN 0.273 nan 8.370 nan 0.000 0.444 26 V N 2.020 121.930 119.914 -0.007 0.000 2.508 26 V HA -0.004 4.116 4.120 -0.000 0.000 0.281 26 V C 0.374 176.463 176.094 -0.008 0.000 1.041 26 V CA -0.559 61.737 62.300 -0.006 0.000 1.016 26 V CB 1.113 32.933 31.823 -0.006 0.000 0.984 26 V HN 0.289 nan 8.190 nan 0.000 0.478 27 L N 7.206 128.425 121.223 -0.007 0.000 2.360 27 L HA 0.536 4.876 4.340 -0.000 0.000 0.276 27 L C 0.454 177.318 176.870 -0.009 0.000 1.121 27 L CA 0.910 55.744 54.840 -0.009 0.000 0.845 27 L CB 0.870 42.925 42.059 -0.007 0.000 1.143 27 L HN 0.939 nan 8.230 nan 0.000 0.452 28 T N 0.463 115.008 114.554 -0.014 0.000 2.864 28 T HA 0.707 5.057 4.350 -0.000 0.000 0.289 28 T C 0.227 174.915 174.700 -0.020 0.000 1.082 28 T CA -0.152 61.940 62.100 -0.014 0.000 1.009 28 T CB 1.085 69.944 68.868 -0.015 0.000 1.234 28 T HN 0.777 nan 8.240 nan 0.000 0.526 29 T N -1.727 112.818 114.554 -0.015 0.000 2.729 29 T HA 0.462 4.812 4.350 -0.000 0.000 0.298 29 T C 1.764 176.446 174.700 -0.031 0.000 1.013 29 T CA -0.048 62.040 62.100 -0.019 0.000 0.957 29 T CB -0.103 68.761 68.868 -0.007 0.000 1.130 29 T HN 0.993 nan 8.240 nan 0.000 0.526 30 G N -0.734 108.045 108.800 -0.036 0.000 2.509 30 G HA2 0.202 4.162 3.960 -0.000 0.000 0.218 30 G HA3 0.202 4.162 3.960 -0.000 0.000 0.218 30 G C 1.315 176.201 174.900 -0.024 0.000 1.124 30 G CA 0.334 45.407 45.100 -0.045 0.000 0.776 30 G HN 1.056 nan 8.290 nan 0.000 0.547 31 A N -0.441 122.371 122.820 -0.013 0.000 2.307 31 A HA 0.509 4.829 4.320 -0.000 0.000 0.218 31 A C 1.901 179.480 177.584 -0.008 0.000 1.228 31 A CA 1.077 53.111 52.037 -0.007 0.000 0.857 31 A CB -0.326 18.673 19.000 -0.000 0.000 0.897 31 A HN 1.431 nan 8.150 nan 0.000 0.495 32 G N -0.250 108.542 108.800 -0.013 0.000 2.143 32 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.249 32 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.249 32 G C -0.106 174.789 174.900 -0.008 0.000 0.981 32 G CA 0.169 45.262 45.100 -0.012 0.000 0.665 32 G HN 0.657 nan 8.290 nan 0.000 0.528 33 N N 1.792 120.488 118.700 -0.006 0.000 2.458 33 N HA 0.452 5.192 4.740 -0.000 0.000 0.270 33 N C -2.646 172.863 175.510 -0.002 0.000 1.102 33 N CA -1.468 51.580 53.050 -0.002 0.000 0.967 33 N CB 1.049 39.537 38.487 0.001 0.000 1.078 33 N HN 0.070 nan 8.380 nan 0.000 0.471 34 P HA -0.035 nan 4.420 nan 0.000 0.265 34 P C -0.798 176.503 177.300 0.002 0.000 1.193 34 P CA 0.089 63.188 63.100 -0.001 0.000 0.765 34 P CB 0.670 32.369 31.700 -0.001 0.000 0.823 35 V N 3.958 123.873 119.914 0.002 0.000 2.350 35 V HA 0.276 4.396 4.120 -0.000 0.000 0.276 35 V C 1.564 177.661 176.094 0.005 0.000 1.028 35 V CA 0.357 62.661 62.300 0.006 0.000 0.860 35 V CB 0.786 32.614 31.823 0.007 0.000 0.990 35 V HN 0.790 nan 8.190 nan 0.000 0.453 36 G N 3.217 112.021 108.800 0.006 0.000 2.414 36 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.215 36 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.215 36 G C 0.289 175.192 174.900 0.004 0.000 1.188 36 G CA 0.674 45.776 45.100 0.004 0.000 0.783 36 G HN 0.634 nan 8.290 nan 0.000 0.537 37 D N -1.364 119.040 120.400 0.007 0.000 2.788 37 D HA 0.303 4.942 4.640 -0.000 0.000 0.247 37 D C -0.431 175.877 176.300 0.014 0.000 1.236 37 D CA -0.553 53.450 54.000 0.006 0.000 0.898 37 D CB 1.505 42.306 40.800 0.002 0.000 1.401 37 D HN -0.008 nan 8.370 nan 0.000 0.549 38 K N 3.965 124.373 120.400 0.013 0.000 2.618 38 K HA 0.276 4.596 4.320 -0.000 0.000 0.207 38 K C 0.384 176.996 176.600 0.019 0.000 1.058 38 K CA -0.077 56.224 56.287 0.023 0.000 1.086 38 K CB 0.366 32.877 32.500 0.017 0.000 0.827 38 K HN 0.466 nan 8.250 nan 0.000 0.481 39 L N -0.083 121.146 121.223 0.009 0.000 2.920 39 L HA 0.265 4.605 4.340 -0.000 0.000 0.257 39 L C -0.407 176.458 176.870 -0.008 0.000 1.150 39 L CA -0.086 54.755 54.840 0.000 0.000 0.959 39 L CB 0.485 42.541 42.059 -0.005 0.000 1.321 39 L HN 0.041 nan 8.230 nan 0.000 0.555 40 N N -0.350 118.345 118.700 -0.010 0.000 2.264 40 N HA 0.384 5.124 4.740 -0.000 0.000 0.288 40 N C -0.983 174.503 175.510 -0.040 0.000 1.094 40 N CA -0.253 52.779 53.050 -0.030 0.000 0.817 40 N CB 3.349 41.820 38.487 -0.027 0.000 1.604 40 N HN -0.321 nan 8.380 nan 0.000 0.473 41 V N 1.611 121.472 119.914 -0.089 0.000 2.863 41 V HA 0.447 4.567 4.120 -0.000 0.000 0.307 41 V C 0.601 176.635 176.094 -0.100 0.000 1.061 41 V CA -0.718 61.501 62.300 -0.136 0.000 1.024 41 V CB 1.348 32.982 31.823 -0.314 0.000 1.049 41 V HN 0.485 nan 8.190 nan 0.000 0.471 42 I N 3.356 123.876 120.570 -0.083 0.000 2.396 42 I HA 0.346 4.516 4.170 -0.000 0.000 0.289 42 I C 0.442 176.519 176.117 -0.067 0.000 1.056 42 I CA 0.254 61.522 61.300 -0.054 0.000 1.365 42 I CB 0.893 38.878 38.000 -0.026 0.000 1.407 42 I HN 0.801 nan 8.210 nan 0.000 0.509 43 T N 2.421 116.942 114.554 -0.055 0.000 2.916 43 T HA 0.385 4.735 4.350 -0.000 0.000 0.292 43 T C -0.379 174.301 174.700 -0.035 0.000 1.055 43 T CA -0.832 61.236 62.100 -0.052 0.000 1.009 43 T CB 2.045 70.877 68.868 -0.059 0.000 1.118 43 T HN 0.280 nan 8.240 nan 0.000 0.497 44 V N 2.246 122.142 119.914 -0.030 0.000 2.326 44 V HA 0.595 4.715 4.120 -0.000 0.000 0.249 44 V C 0.698 176.780 176.094 -0.021 0.000 1.114 44 V CA 1.303 63.590 62.300 -0.021 0.000 1.028 44 V CB -1.066 30.747 31.823 -0.017 0.000 1.170 44 V HN 1.812 nan 8.190 nan 0.000 0.494 45 G N 6.788 115.576 108.800 -0.020 0.000 2.756 45 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.678 45 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.678 45 G C -1.616 173.270 174.900 -0.023 0.000 1.349 45 G CA -0.188 44.900 45.100 -0.019 0.000 0.847 45 G HN 0.555 nan 8.290 nan 0.000 0.548 46 P HA -0.008 nan 4.420 nan 0.000 0.223 46 P C 0.896 178.181 177.300 -0.026 0.000 1.151 46 P CA 1.001 64.087 63.100 -0.023 0.000 0.787 46 P CB 0.209 31.898 31.700 -0.019 0.000 0.788 47 R N 0.026 120.512 120.500 -0.023 0.000 2.700 47 R HA 0.403 4.743 4.340 -0.000 0.000 0.399 47 R C 0.856 177.142 176.300 -0.024 0.000 1.115 47 R CA -0.131 55.955 56.100 -0.024 0.000 1.058 47 R CB 0.627 30.916 30.300 -0.019 0.000 1.389 47 R HN 0.117 nan 8.270 nan 0.000 0.582 48 G N 1.418 110.201 108.800 -0.028 0.000 2.552 48 G HA2 0.561 4.521 3.960 -0.000 0.000 0.324 48 G HA3 0.561 4.521 3.960 -0.000 0.000 0.324 48 G C -2.423 172.456 174.900 -0.035 0.000 1.217 48 G CA -1.090 43.994 45.100 -0.027 0.000 0.989 48 G HN -0.110 nan 8.290 nan 0.000 0.490 49 P HA 0.223 nan 4.420 nan 0.000 0.273 49 P C -0.497 176.772 177.300 -0.051 0.000 1.250 49 P CA -0.560 62.517 63.100 -0.038 0.000 0.793 49 P CB 1.069 32.754 31.700 -0.025 0.000 1.011 50 L N 1.005 122.188 121.223 -0.065 0.000 2.397 50 L HA 0.264 4.604 4.340 -0.000 0.000 0.271 50 L C -0.695 176.145 176.870 -0.049 0.000 1.148 50 L CA -0.150 54.636 54.840 -0.090 0.000 0.825 50 L CB -0.536 41.436 42.059 -0.145 0.000 1.117 50 L HN 0.140 nan 8.230 nan 0.000 0.456 51 L N 4.950 126.147 121.223 -0.043 0.000 2.325 51 L HA 0.338 4.678 4.340 -0.000 0.000 0.279 51 L C 1.160 178.044 176.870 0.023 0.000 1.054 51 L CA -0.340 54.495 54.840 -0.008 0.000 0.804 51 L CB 1.553 43.608 42.059 -0.007 0.000 1.200 51 L HN 0.529 nan 8.230 nan 0.000 0.436 52 V N 1.374 121.308 119.914 0.034 0.000 2.626 52 V HA -0.220 3.900 4.120 -0.000 0.000 0.252 52 V C 2.135 178.263 176.094 0.058 0.000 1.067 52 V CA 1.827 64.161 62.300 0.056 0.000 1.081 52 V CB -0.706 31.142 31.823 0.043 0.000 0.686 52 V HN 1.035 nan 8.190 nan 0.000 0.468 53 Q N 0.189 120.013 119.800 0.040 0.000 2.488 53 Q HA -0.119 4.221 4.340 -0.000 0.000 0.211 53 Q C 0.693 176.722 176.000 0.048 0.000 0.967 53 Q CA 0.950 56.776 55.803 0.038 0.000 0.926 53 Q CB -0.359 28.393 28.738 0.024 0.000 0.992 53 Q HN 0.518 nan 8.270 nan 0.000 0.506 54 D N 2.000 122.438 120.400 0.063 0.000 2.551 54 D HA 0.004 4.644 4.640 -0.000 0.000 0.223 54 D C 1.051 177.433 176.300 0.137 0.000 1.144 54 D CA -0.220 53.831 54.000 0.085 0.000 1.025 54 D CB 1.124 41.966 40.800 0.070 0.000 1.085 54 D HN 0.197 nan 8.370 nan 0.000 0.506 55 V N 1.519 121.488 119.914 0.092 0.000 3.306 55 V HA -0.057 4.063 4.120 -0.000 0.000 0.264 55 V C 1.935 178.071 176.094 0.071 0.000 1.149 55 V CA 0.426 62.774 62.300 0.079 0.000 1.143 55 V CB -0.213 31.638 31.823 0.047 0.000 0.767 55 V HN 0.245 nan 8.190 nan 0.000 0.476 56 V N 0.513 120.477 119.914 0.083 0.000 2.255 56 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 56 V C 2.304 178.452 176.094 0.090 0.000 1.051 56 V CA 2.889 65.231 62.300 0.070 0.000 1.018 56 V CB -0.863 31.002 31.823 0.071 0.000 0.641 56 V HN 0.675 nan 8.190 nan 0.000 0.445 57 F N 1.400 121.351 119.950 0.002 0.000 2.069 57 F HA -0.227 4.299 4.527 -0.000 0.000 0.298 57 F C 2.458 178.267 175.800 0.015 0.000 1.113 57 F CA 2.476 60.477 58.000 0.001 0.000 1.214 57 F CB -0.875 38.123 39.000 -0.002 0.000 0.978 57 F HN 0.137 nan 8.300 nan 0.000 0.474 58 T N -0.342 114.142 114.554 -0.118 0.000 2.746 58 T HA -0.233 4.117 4.350 -0.000 0.000 0.267 58 T C 1.484 176.081 174.700 -0.173 0.000 1.039 58 T CA 1.717 63.684 62.100 -0.221 0.000 1.142 58 T CB -0.602 68.265 68.868 -0.001 0.000 0.866 58 T HN 0.437 nan 8.240 nan 0.000 0.444 59 D N 0.869 121.223 120.400 -0.077 0.000 2.123 59 D HA -0.144 4.496 4.640 -0.000 0.000 0.196 59 D C 2.142 178.416 176.300 -0.044 0.000 0.992 59 D CA 1.348 55.326 54.000 -0.038 0.000 0.833 59 D CB -0.074 40.719 40.800 -0.011 0.000 0.954 59 D HN 0.565 nan 8.370 nan 0.000 0.455 60 E N -1.237 118.909 120.200 -0.090 0.000 2.112 60 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 60 E C 1.950 178.505 176.600 -0.076 0.000 0.979 60 E CA 0.462 56.824 56.400 -0.063 0.000 0.814 60 E CB -0.098 29.562 29.700 -0.067 0.000 0.762 60 E HN 0.218 nan 8.360 nan 0.000 0.460 61 M N 1.086 120.515 119.600 -0.284 0.000 2.099 61 M HA -0.010 4.470 4.480 -0.000 0.000 0.262 61 M C 2.083 178.344 176.300 -0.065 0.000 1.067 61 M CA 1.849 56.980 55.300 -0.282 0.000 1.124 61 M CB -0.462 31.669 32.600 -0.782 0.000 1.353 61 M HN 0.185 nan 8.290 nan 0.000 0.410 62 A N -1.098 121.666 122.820 -0.095 0.000 1.940 62 A HA -0.254 4.066 4.320 -0.000 0.000 0.219 62 A C 2.345 179.927 177.584 -0.003 0.000 1.176 62 A CA 2.078 54.093 52.037 -0.036 0.000 0.631 62 A CB -1.317 17.665 19.000 -0.031 0.000 0.814 62 A HN 0.742 nan 8.150 nan 0.000 0.446 63 H N -1.998 117.056 119.070 -0.026 0.000 2.363 63 H HA -0.114 4.442 4.556 -0.000 0.000 0.301 63 H C 1.930 177.258 175.328 -0.001 0.000 1.074 63 H CA 1.825 57.862 56.048 -0.018 0.000 1.354 63 H CB -0.332 29.422 29.762 -0.013 0.000 1.397 63 H HN 0.498 nan 8.280 nan 0.000 0.516 64 F N 2.432 122.386 119.950 0.007 0.000 2.120 64 F HA -0.219 4.308 4.527 -0.000 0.000 0.300 64 F C 1.730 177.481 175.800 -0.083 0.000 1.095 64 F CA 1.743 59.724 58.000 -0.031 0.000 1.249 64 F CB -0.441 38.533 39.000 -0.042 0.000 0.995 64 F HN 0.070 nan 8.300 nan 0.000 0.480 65 D N 0.176 120.494 120.400 -0.136 0.000 2.403 65 D HA -0.097 4.543 4.640 -0.000 0.000 0.227 65 D C 1.583 177.724 176.300 -0.265 0.000 0.995 65 D CA 0.849 54.711 54.000 -0.230 0.000 0.928 65 D CB -0.220 40.536 40.800 -0.072 0.000 0.887 65 D HN 0.471 nan 8.370 nan 0.000 0.529 66 R N -0.148 120.169 120.500 -0.306 0.000 2.549 66 R HA 0.067 4.407 4.340 -0.000 0.000 0.361 66 R C 1.079 177.188 176.300 -0.319 0.000 0.969 66 R CA -0.035 55.891 56.100 -0.290 0.000 1.158 66 R CB 0.532 30.661 30.300 -0.285 0.000 1.456 66 R HN 0.217 nan 8.270 nan 0.000 0.540 67 E N 1.044 121.029 120.200 -0.359 0.000 2.533 67 E HA -0.027 4.323 4.350 -0.000 0.000 0.201 67 E C -0.025 176.401 176.600 -0.290 0.000 1.097 67 E CA 0.416 56.609 56.400 -0.344 0.000 0.887 67 E CB 0.218 29.733 29.700 -0.308 0.000 0.855 67 E HN -0.047 nan 8.360 nan 0.000 0.540 68 R N 1.596 121.979 120.500 -0.195 0.000 2.445 68 R HA 0.498 4.838 4.340 -0.000 0.000 0.308 68 R C 0.304 176.594 176.300 -0.016 0.000 0.961 68 R CA -0.678 55.373 56.100 -0.082 0.000 0.862 68 R CB 1.454 31.698 30.300 -0.093 0.000 1.144 68 R HN 0.218 nan 8.270 nan 0.000 0.447 69 I N -0.788 119.828 120.570 0.077 0.000 3.133 69 I HA 0.682 4.852 4.170 -0.000 0.000 0.311 69 I C -2.161 173.973 176.117 0.028 0.000 1.072 69 I CA -2.914 58.416 61.300 0.051 0.000 1.015 69 I CB 1.399 39.462 38.000 0.106 0.000 1.233 69 I HN 0.216 nan 8.210 nan 0.000 0.473 70 P HA 0.198 nan 4.420 nan 0.000 0.275 70 P C -1.194 176.126 177.300 0.033 0.000 1.227 70 P CA -0.290 62.809 63.100 -0.001 0.000 0.781 70 P CB 0.560 32.231 31.700 -0.047 0.000 0.906 71 E N 2.060 122.294 120.200 0.056 0.000 2.345 71 E HA 0.279 4.629 4.350 -0.000 0.000 0.259 71 E C -0.469 176.172 176.600 0.067 0.000 1.117 71 E CA -0.908 55.534 56.400 0.071 0.000 0.913 71 E CB 0.652 30.399 29.700 0.078 0.000 1.057 71 E HN 0.236 nan 8.360 nan 0.000 0.432 72 R N 0.488 121.034 120.500 0.077 0.000 2.698 72 R HA -0.036 4.304 4.340 -0.000 0.000 0.266 72 R C 0.999 177.340 176.300 0.068 0.000 1.026 72 R CA 0.075 56.220 56.100 0.075 0.000 1.102 72 R CB 0.522 30.886 30.300 0.107 0.000 0.978 72 R HN 0.532 nan 8.270 nan 0.000 0.436 73 V N 3.228 123.170 119.914 0.047 0.000 2.759 73 V HA -0.088 4.032 4.120 -0.000 0.000 0.256 73 V C 0.449 176.578 176.094 0.058 0.000 1.080 73 V CA 1.607 63.932 62.300 0.043 0.000 1.101 73 V CB 0.113 31.950 31.823 0.023 0.000 0.698 73 V HN 0.533 nan 8.190 nan 0.000 0.477 74 V N -4.866 115.113 119.914 0.108 0.000 3.188 74 V HA 0.566 4.686 4.120 -0.000 0.000 0.305 74 V C 0.258 176.505 176.094 0.255 0.000 1.232 74 V CA -0.647 61.746 62.300 0.155 0.000 1.043 74 V CB 1.437 33.429 31.823 0.281 0.000 1.068 74 V HN 0.390 nan 8.190 nan 0.000 0.439 75 H N -0.167 118.957 119.070 0.090 0.000 2.861 75 H HA -0.246 4.309 4.556 -0.000 0.000 0.289 75 H C 1.603 176.984 175.328 0.088 0.000 1.176 75 H CA 0.869 56.975 56.048 0.097 0.000 1.146 75 H CB -1.125 28.699 29.762 0.103 0.000 1.330 75 H HN 1.239 nan 8.280 nan 0.000 0.379 76 A N 0.726 123.629 122.820 0.137 0.000 1.865 76 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 76 A C 1.577 179.244 177.584 0.139 0.000 1.191 76 A CA 1.674 53.785 52.037 0.122 0.000 0.623 76 A CB -0.097 18.953 19.000 0.083 0.000 0.826 76 A HN 0.237 nan 8.150 nan 0.000 0.444 77 K N 0.469 120.944 120.400 0.125 0.000 2.349 77 K HA 0.463 4.782 4.320 -0.000 0.000 0.289 77 K C 0.036 176.749 176.600 0.188 0.000 1.064 77 K CA 0.784 57.160 56.287 0.149 0.000 0.947 77 K CB 0.230 32.800 32.500 0.117 0.000 1.007 77 K HN 0.376 nan 8.250 nan 0.000 0.478 78 G N 1.316 110.263 108.800 0.246 0.000 2.725 78 G HA2 0.792 4.752 3.960 -0.000 0.000 0.288 78 G HA3 0.792 4.752 3.960 -0.000 0.000 0.288 78 G C -1.694 173.423 174.900 0.360 0.000 1.399 78 G CA -0.588 44.666 45.100 0.255 0.000 0.859 78 G HN 0.696 nan 8.290 nan 0.000 0.479 79 A N -0.975 122.024 122.820 0.299 0.000 2.455 79 A HA 0.913 5.233 4.320 -0.000 0.000 0.300 79 A C -0.049 177.659 177.584 0.207 0.000 1.040 79 A CA 0.032 52.296 52.037 0.378 0.000 0.697 79 A CB 1.752 21.049 19.000 0.494 0.000 1.265 79 A HN 1.794 nan 8.150 nan 0.000 0.407 80 G N -0.197 108.706 108.800 0.170 0.000 2.498 80 G HA2 0.930 4.890 3.960 -0.000 0.000 0.312 80 G HA3 0.930 4.890 3.960 -0.000 0.000 0.312 80 G C -0.513 174.344 174.900 -0.071 0.000 1.230 80 G CA -0.116 44.938 45.100 -0.077 0.000 0.968 80 G HN 2.020 nan 8.290 nan 0.000 0.481 81 A N -0.293 122.276 122.820 -0.420 0.000 2.601 81 A HA 0.830 5.149 4.320 -0.000 0.000 0.291 81 A C -1.896 175.257 177.584 -0.718 0.000 1.075 81 A CA -0.708 51.157 52.037 -0.286 0.000 0.671 81 A CB 0.985 19.996 19.000 0.019 0.000 1.277 81 A HN 0.763 nan 8.150 nan 0.000 0.417 82 F N -0.429 119.534 119.950 0.023 0.000 2.603 82 F HA 0.903 5.430 4.527 -0.000 0.000 0.317 82 F C 0.905 176.709 175.800 0.007 0.000 1.066 82 F CA 0.272 58.279 58.000 0.012 0.000 0.941 82 F CB 2.381 41.393 39.000 0.021 0.000 1.291 82 F HN 1.228 nan 8.300 nan 0.000 0.472 83 G N 0.076 109.002 108.800 0.210 0.000 2.565 83 G HA2 0.439 4.399 3.960 -0.000 0.000 0.142 83 G HA3 0.439 4.399 3.960 -0.000 0.000 0.142 83 G C -2.108 172.930 174.900 0.229 0.000 1.181 83 G CA -0.247 44.950 45.100 0.161 0.000 1.066 83 G HN 0.879 nan 8.290 nan 0.000 0.530 84 Y N -1.440 118.884 120.300 0.041 0.000 2.625 84 Y HA 0.831 5.381 4.550 -0.000 0.000 0.338 84 Y C -1.643 174.311 175.900 0.091 0.000 1.123 84 Y CA -2.023 56.112 58.100 0.058 0.000 1.046 84 Y CB 1.821 40.303 38.460 0.037 0.000 1.299 84 Y HN 0.779 nan 8.280 nan 0.000 0.464 85 F N 1.987 121.995 119.950 0.096 0.000 2.482 85 F HA 0.629 5.156 4.527 -0.000 0.000 0.331 85 F C -0.899 175.031 175.800 0.218 0.000 1.115 85 F CA -0.796 57.228 58.000 0.040 0.000 0.955 85 F CB 1.769 40.812 39.000 0.071 0.000 1.136 85 F HN 0.773 nan 8.300 nan 0.000 0.452 86 E N 5.296 125.080 120.200 -0.695 0.000 2.210 86 E HA 0.520 4.870 4.350 -0.000 0.000 0.266 86 E C -1.627 174.514 176.600 -0.764 0.000 0.883 86 E CA -0.933 55.165 56.400 -0.503 0.000 0.761 86 E CB 1.984 31.686 29.700 0.003 0.000 1.156 86 E HN 0.568 nan 8.360 nan 0.000 0.412 87 V N 4.050 123.662 119.914 -0.504 0.000 2.555 87 V HA 0.083 4.203 4.120 -0.000 0.000 0.286 87 V C 1.203 177.294 176.094 -0.006 0.000 1.044 87 V CA 0.772 62.968 62.300 -0.174 0.000 1.026 87 V CB 1.025 32.866 31.823 0.031 0.000 0.981 87 V HN 0.986 nan 8.190 nan 0.000 0.480 88 T N 0.368 115.001 114.554 0.132 0.000 2.955 88 T HA 0.247 4.597 4.350 -0.000 0.000 0.251 88 T C 0.392 175.191 174.700 0.165 0.000 1.002 88 T CA 0.103 62.316 62.100 0.189 0.000 0.970 88 T CB 0.167 69.219 68.868 0.307 0.000 1.091 88 T HN 0.642 nan 8.240 nan 0.000 0.495 89 H N 0.545 119.666 119.070 0.086 0.000 2.865 89 H HA 0.688 5.244 4.556 -0.000 0.000 0.372 89 H C -1.505 173.883 175.328 0.101 0.000 1.173 89 H CA -1.292 54.811 56.048 0.091 0.000 1.147 89 H CB 1.253 31.073 29.762 0.098 0.000 1.805 89 H HN 0.020 nan 8.280 nan 0.000 0.553 90 D N 1.760 122.279 120.400 0.199 0.000 2.313 90 D HA 0.125 4.765 4.640 -0.000 0.000 0.239 90 D C 0.449 176.829 176.300 0.134 0.000 1.142 90 D CA -0.351 53.736 54.000 0.144 0.000 0.847 90 D CB 0.406 41.264 40.800 0.095 0.000 1.082 90 D HN 0.634 nan 8.370 nan 0.000 0.480 91 I N 0.820 121.460 120.570 0.117 0.000 3.833 91 I HA 0.159 4.329 4.170 -0.000 0.000 0.328 91 I C 1.292 177.464 176.117 0.091 0.000 1.554 91 I CA -0.469 60.911 61.300 0.133 0.000 1.116 91 I CB 0.187 38.248 38.000 0.101 0.000 1.182 91 I HN 0.154 nan 8.210 nan 0.000 0.459 92 T N -0.622 113.971 114.554 0.065 0.000 2.946 92 T HA -0.183 4.167 4.350 -0.000 0.000 0.271 92 T C 1.646 176.344 174.700 -0.004 0.000 1.104 92 T CA 1.678 63.815 62.100 0.060 0.000 1.114 92 T CB -0.475 68.432 68.868 0.065 0.000 0.867 92 T HN 0.720 nan 8.240 nan 0.000 0.513 93 K N -0.236 120.095 120.400 -0.116 0.000 2.365 93 K HA -0.025 4.295 4.320 -0.000 0.000 0.199 93 K C 1.286 177.750 176.600 -0.227 0.000 1.045 93 K CA 0.849 56.997 56.287 -0.231 0.000 0.962 93 K CB -0.320 31.943 32.500 -0.395 0.000 0.759 93 K HN 0.408 nan 8.250 nan 0.000 0.469 94 Y N 0.575 120.874 120.300 -0.001 0.000 2.500 94 Y HA 0.235 4.785 4.550 -0.000 0.000 0.284 94 Y C 0.838 176.738 175.900 -0.000 0.000 1.118 94 Y CA -0.221 57.874 58.100 -0.009 0.000 1.241 94 Y CB 0.816 39.265 38.460 -0.019 0.000 1.171 94 Y HN 0.037 nan 8.280 nan 0.000 0.540 95 S N 0.262 116.066 115.700 0.174 0.000 2.575 95 S HA 0.310 4.780 4.470 -0.000 0.000 0.278 95 S C 0.062 174.747 174.600 0.141 0.000 1.139 95 S CA -0.881 57.408 58.200 0.148 0.000 0.954 95 S CB 0.990 64.306 63.200 0.194 0.000 1.054 95 S HN 0.371 nan 8.310 nan 0.000 0.483 96 K N 2.715 123.170 120.400 0.091 0.000 2.444 96 K HA 0.421 4.741 4.320 -0.000 0.000 0.193 96 K C 0.621 177.246 176.600 0.042 0.000 1.024 96 K CA 0.026 56.352 56.287 0.064 0.000 1.077 96 K CB -0.009 32.512 32.500 0.034 0.000 0.833 96 K HN 0.514 nan 8.250 nan 0.000 0.517 97 A N 2.446 125.293 122.820 0.045 0.000 2.545 97 A HA 0.010 4.330 4.320 -0.000 0.000 0.253 97 A C 0.707 178.215 177.584 -0.127 0.000 1.074 97 A CA -0.130 51.842 52.037 -0.109 0.000 0.760 97 A CB 0.213 19.042 19.000 -0.284 0.000 1.005 97 A HN 0.375 nan 8.150 nan 0.000 0.506 98 K N 2.333 122.646 120.400 -0.146 0.000 2.113 98 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 98 K C 1.723 178.217 176.600 -0.176 0.000 1.047 98 K CA 1.478 57.697 56.287 -0.113 0.000 0.928 98 K CB -0.392 32.052 32.500 -0.093 0.000 0.716 98 K HN 0.593 nan 8.250 nan 0.000 0.446 99 V N 0.888 120.590 119.914 -0.354 0.000 2.660 99 V HA -0.229 3.891 4.120 -0.000 0.000 0.257 99 V C 1.128 177.048 176.094 -0.290 0.000 1.088 99 V CA 1.749 63.805 62.300 -0.406 0.000 1.106 99 V CB -0.359 31.002 31.823 -0.771 0.000 0.686 99 V HN 0.194 nan 8.190 nan 0.000 0.481 100 F N -0.578 119.367 119.950 -0.009 0.000 2.720 100 F HA 0.288 4.815 4.527 -0.000 0.000 0.301 100 F C 1.862 177.664 175.800 0.003 0.000 1.103 100 F CA 0.000 58.031 58.000 0.052 0.000 1.291 100 F CB -0.616 38.413 39.000 0.049 0.000 1.086 100 F HN 0.145 nan 8.300 nan 0.000 0.592 101 E N 0.614 120.870 120.200 0.094 0.000 2.348 101 E HA -0.317 4.033 4.350 -0.000 0.000 0.234 101 E C -0.153 176.530 176.600 0.138 0.000 1.110 101 E CA 2.415 58.855 56.400 0.067 0.000 0.987 101 E CB -0.225 29.474 29.700 -0.002 0.000 0.834 101 E HN 0.699 nan 8.360 nan 0.000 0.468 102 H N -4.108 115.031 119.070 0.114 0.000 3.024 102 H HA 0.354 4.910 4.556 -0.000 0.000 0.324 102 H C -0.820 174.557 175.328 0.082 0.000 1.347 102 H CA -0.813 55.286 56.048 0.086 0.000 1.182 102 H CB -0.029 29.764 29.762 0.051 0.000 1.889 102 H HN -0.065 nan 8.280 nan 0.000 0.528 103 I N 1.929 122.660 120.570 0.267 0.000 2.752 103 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 103 I C 1.409 177.661 176.117 0.225 0.000 1.197 103 I CA 1.705 63.110 61.300 0.175 0.000 1.432 103 I CB 0.308 38.369 38.000 0.101 0.000 1.359 103 I HN 1.138 nan 8.210 nan 0.000 0.571 104 G N 4.750 113.615 108.800 0.107 0.000 2.234 104 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.235 104 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.235 104 G C 0.446 175.382 174.900 0.060 0.000 0.997 104 G CA -0.072 45.081 45.100 0.089 0.000 0.623 104 G HN 0.640 nan 8.290 nan 0.000 0.514 105 K N 1.518 121.901 120.400 -0.027 0.000 2.447 105 K HA 0.369 4.689 4.320 -0.000 0.000 0.281 105 K C 0.177 176.721 176.600 -0.093 0.000 1.031 105 K CA 0.293 56.483 56.287 -0.161 0.000 1.019 105 K CB 0.152 32.305 32.500 -0.578 0.000 0.918 105 K HN 0.274 nan 8.250 nan 0.000 0.476 106 K N 2.612 122.993 120.400 -0.032 0.000 2.182 106 K HA 0.273 4.593 4.320 -0.000 0.000 0.262 106 K C -1.015 175.639 176.600 0.090 0.000 0.957 106 K CA -0.684 55.615 56.287 0.020 0.000 0.842 106 K CB 2.065 34.537 32.500 -0.046 0.000 1.099 106 K HN 0.492 nan 8.250 nan 0.000 0.438 107 T N 4.369 119.052 114.554 0.216 0.000 2.840 107 T HA 0.306 4.656 4.350 -0.000 0.000 0.287 107 T C -2.605 172.261 174.700 0.276 0.000 0.991 107 T CA -1.637 60.608 62.100 0.241 0.000 0.964 107 T CB 1.576 70.641 68.868 0.327 0.000 0.954 107 T HN 0.392 nan 8.240 nan 0.000 0.438 108 P HA 0.306 nan 4.420 nan 0.000 0.269 108 P C -0.581 176.914 177.300 0.326 0.000 1.209 108 P CA -0.306 62.950 63.100 0.261 0.000 0.776 108 P CB 0.616 32.435 31.700 0.199 0.000 0.876 109 I N -1.748 118.968 120.570 0.244 0.000 3.074 109 I HA 0.876 5.046 4.170 -0.000 0.000 0.310 109 I C -1.453 174.779 176.117 0.192 0.000 1.153 109 I CA -1.674 59.666 61.300 0.068 0.000 0.993 109 I CB 2.472 40.265 38.000 -0.345 0.000 1.237 109 I HN 0.295 nan 8.210 nan 0.000 0.443 110 A N 3.377 126.212 122.820 0.025 0.000 2.371 110 A HA 0.858 5.178 4.320 -0.000 0.000 0.311 110 A C -1.134 176.299 177.584 -0.252 0.000 1.068 110 A CA -0.602 51.405 52.037 -0.050 0.000 0.744 110 A CB 1.792 20.889 19.000 0.162 0.000 1.239 110 A HN 0.579 nan 8.150 nan 0.000 0.435 111 V N 1.648 121.292 119.914 -0.449 0.000 2.876 111 V HA 0.714 4.834 4.120 -0.000 0.000 0.312 111 V C -0.152 175.617 176.094 -0.542 0.000 1.085 111 V CA -0.698 61.298 62.300 -0.506 0.000 0.945 111 V CB 2.088 33.502 31.823 -0.681 0.000 1.017 111 V HN 0.974 nan 8.190 nan 0.000 0.428 112 R N 2.451 122.598 120.500 -0.588 0.000 2.514 112 R HA 0.619 4.959 4.340 -0.000 0.000 0.296 112 R C -1.859 174.066 176.300 -0.625 0.000 1.012 112 R CA -0.392 55.441 56.100 -0.446 0.000 0.897 112 R CB 1.214 31.470 30.300 -0.073 0.000 1.184 112 R HN 0.521 nan 8.270 nan 0.000 0.440 113 F N 1.586 121.330 119.950 -0.344 0.000 2.408 113 F HA 0.622 5.149 4.527 -0.000 0.000 0.325 113 F C 0.598 176.213 175.800 -0.307 0.000 1.082 113 F CA 0.027 57.713 58.000 -0.523 0.000 1.032 113 F CB 2.002 40.328 39.000 -1.123 0.000 1.259 113 F HN 0.696 nan 8.300 nan 0.000 0.503 114 S N -1.547 114.157 115.700 0.006 0.000 2.643 114 S HA 0.609 5.079 4.470 -0.000 0.000 0.266 114 S C -0.852 173.840 174.600 0.154 0.000 1.130 114 S CA -0.836 57.440 58.200 0.127 0.000 0.817 114 S CB 1.112 64.440 63.200 0.212 0.000 1.107 114 S HN 0.734 nan 8.310 nan 0.000 0.471 115 T N -1.435 113.186 114.554 0.111 0.000 2.876 115 T HA 0.783 5.133 4.350 -0.000 0.000 0.277 115 T C 0.834 175.436 174.700 -0.162 0.000 0.997 115 T CA -0.180 61.944 62.100 0.040 0.000 0.966 115 T CB 0.723 69.627 68.868 0.059 0.000 1.312 115 T HN 0.731 nan 8.240 nan 0.000 0.598 116 V N -0.148 119.652 119.914 -0.190 0.000 2.870 116 V HA 0.304 4.424 4.120 -0.000 0.000 0.232 116 V C 2.846 178.832 176.094 -0.180 0.000 1.161 116 V CA 0.824 62.914 62.300 -0.350 0.000 1.204 116 V CB -1.226 30.485 31.823 -0.187 0.000 1.003 116 V HN 1.018 nan 8.190 nan 0.000 0.499 117 A N 0.808 123.549 122.820 -0.132 0.000 1.854 117 A HA 0.229 4.549 4.320 -0.000 0.000 0.214 117 A C 1.692 179.216 177.584 -0.100 0.000 1.192 117 A CA 1.223 53.174 52.037 -0.143 0.000 0.611 117 A CB -1.303 17.593 19.000 -0.174 0.000 0.832 117 A HN 0.606 nan 8.150 nan 0.000 0.442 118 G N 1.231 109.991 108.800 -0.067 0.000 2.484 118 G HA2 0.364 4.324 3.960 -0.000 0.000 0.235 118 G HA3 0.364 4.324 3.960 -0.000 0.000 0.235 118 G C 0.182 175.072 174.900 -0.016 0.000 1.282 118 G CA 0.098 45.174 45.100 -0.041 0.000 0.857 118 G HN 0.588 nan 8.290 nan 0.000 0.571 119 E N 1.154 121.347 120.200 -0.011 0.000 2.602 119 E HA 0.197 4.547 4.350 -0.000 0.000 0.255 119 E C 1.405 178.030 176.600 0.041 0.000 1.268 119 E CA -0.449 55.961 56.400 0.017 0.000 1.007 119 E CB -0.118 29.590 29.700 0.013 0.000 1.208 119 E HN 0.234 nan 8.360 nan 0.000 0.584 120 S N -0.426 115.309 115.700 0.059 0.000 2.444 120 S HA -0.145 4.324 4.470 -0.000 0.000 0.244 120 S C 1.400 176.035 174.600 0.059 0.000 1.025 120 S CA 1.621 59.866 58.200 0.075 0.000 0.995 120 S CB -0.408 62.844 63.200 0.086 0.000 0.781 120 S HN 0.742 nan 8.310 nan 0.000 0.496 121 G N 0.677 109.502 108.800 0.042 0.000 3.159 121 G HA2 0.239 4.199 3.960 -0.000 0.000 0.232 121 G HA3 0.239 4.199 3.960 -0.000 0.000 0.232 121 G C 0.362 175.280 174.900 0.029 0.000 1.116 121 G CA 0.153 45.273 45.100 0.033 0.000 0.767 121 G HN 0.550 nan 8.290 nan 0.000 0.547 122 S N 0.217 115.934 115.700 0.029 0.000 2.587 122 S HA 0.573 5.043 4.470 -0.000 0.000 0.260 122 S C 0.564 175.185 174.600 0.036 0.000 1.353 122 S CA 0.041 58.255 58.200 0.023 0.000 0.995 122 S CB 1.361 64.570 63.200 0.015 0.000 0.912 122 S HN 0.691 nan 8.310 nan 0.000 0.568 123 A N 0.599 123.437 122.820 0.030 0.000 2.340 123 A HA 0.412 4.732 4.320 -0.000 0.000 0.268 123 A C 0.565 178.182 177.584 0.055 0.000 1.100 123 A CA -0.597 51.463 52.037 0.038 0.000 0.803 123 A CB -0.041 18.971 19.000 0.020 0.000 1.043 123 A HN 0.858 nan 8.150 nan 0.000 0.488 124 D N 0.313 120.760 120.400 0.078 0.000 2.149 124 D HA -0.034 4.606 4.640 -0.000 0.000 0.201 124 D C 1.216 177.562 176.300 0.076 0.000 0.972 124 D CA 2.104 56.171 54.000 0.112 0.000 0.835 124 D CB -0.119 40.774 40.800 0.156 0.000 0.966 124 D HN 0.648 nan 8.370 nan 0.000 0.476 125 T N -0.023 114.540 114.554 0.015 0.000 3.688 125 T HA 0.431 4.781 4.350 -0.000 0.000 0.307 125 T C 0.071 174.756 174.700 -0.025 0.000 1.382 125 T CA -0.637 61.437 62.100 -0.043 0.000 1.136 125 T CB -0.608 68.157 68.868 -0.172 0.000 1.207 125 T HN -0.043 nan 8.240 nan 0.000 0.854 126 V N -0.286 119.630 119.914 0.003 0.000 3.049 126 V HA 0.644 4.764 4.120 -0.000 0.000 0.309 126 V C -0.051 176.042 176.094 -0.002 0.000 1.148 126 V CA -1.862 60.439 62.300 0.001 0.000 0.990 126 V CB 1.858 33.686 31.823 0.008 0.000 1.039 126 V HN 0.687 nan 8.190 nan 0.000 0.430 127 R N 1.680 122.164 120.500 -0.027 0.000 2.484 127 R HA 0.460 4.800 4.340 -0.000 0.000 0.293 127 R C -0.848 175.423 176.300 -0.048 0.000 1.023 127 R CA 0.929 56.984 56.100 -0.074 0.000 1.037 127 R CB -0.089 30.105 30.300 -0.178 0.000 0.951 127 R HN 1.041 nan 8.270 nan 0.000 0.418 128 D N 3.196 123.598 120.400 0.004 0.000 3.020 128 D HA 0.158 4.797 4.640 -0.000 0.000 0.268 128 D C -2.823 173.572 176.300 0.158 0.000 1.078 128 D CA -0.717 53.330 54.000 0.077 0.000 0.725 128 D CB 1.243 42.071 40.800 0.046 0.000 1.639 128 D HN 0.215 nan 8.370 nan 0.000 0.455 129 P HA 0.352 nan 4.420 nan 0.000 0.274 129 P C -0.845 176.601 177.300 0.244 0.000 1.264 129 P CA -0.301 62.978 63.100 0.300 0.000 0.795 129 P CB 0.470 32.417 31.700 0.411 0.000 1.064 130 R N 0.151 120.820 120.500 0.281 0.000 2.532 130 R HA 0.472 4.812 4.340 -0.000 0.000 0.297 130 R C 0.028 176.519 176.300 0.319 0.000 0.984 130 R CA -0.608 55.650 56.100 0.264 0.000 0.884 130 R CB 1.702 32.153 30.300 0.252 0.000 1.182 130 R HN 0.630 nan 8.270 nan 0.000 0.442 131 G N 1.276 110.291 108.800 0.358 0.000 2.527 131 G HA2 0.326 4.286 3.960 -0.000 0.000 0.248 131 G HA3 0.326 4.286 3.960 -0.000 0.000 0.248 131 G C -0.901 174.109 174.900 0.183 0.000 1.231 131 G CA 0.074 45.350 45.100 0.294 0.000 0.838 131 G HN 0.404 nan 8.290 nan 0.000 0.570 132 F N 1.784 121.659 119.950 -0.124 0.000 3.065 132 F HA 0.561 5.088 4.527 -0.000 0.000 0.383 132 F C 0.208 175.752 175.800 -0.427 0.000 1.259 132 F CA -1.640 56.225 58.000 -0.225 0.000 1.217 132 F CB 0.521 39.511 39.000 -0.018 0.000 2.042 132 F HN 0.676 nan 8.300 nan 0.000 0.641 133 A N 2.860 125.402 122.820 -0.463 0.000 2.331 133 A HA 0.760 5.080 4.320 -0.000 0.000 0.283 133 A C -1.056 176.020 177.584 -0.847 0.000 1.142 133 A CA -0.369 51.092 52.037 -0.960 0.000 0.812 133 A CB 0.798 18.524 19.000 -2.123 0.000 1.074 133 A HN 0.344 nan 8.150 nan 0.000 0.497 134 V N 3.011 122.515 119.914 -0.683 0.000 2.483 134 V HA 0.394 4.514 4.120 -0.000 0.000 0.297 134 V C -0.061 175.730 176.094 -0.505 0.000 1.027 134 V CA -0.700 61.212 62.300 -0.647 0.000 0.855 134 V CB 1.570 32.805 31.823 -0.981 0.000 0.995 134 V HN 0.917 nan 8.190 nan 0.000 0.424 135 K N 4.612 124.796 120.400 -0.360 0.000 2.316 135 K HA 0.564 4.884 4.320 -0.000 0.000 0.267 135 K C -1.543 174.685 176.600 -0.620 0.000 1.025 135 K CA -0.482 55.556 56.287 -0.415 0.000 0.896 135 K CB 0.652 32.846 32.500 -0.509 0.000 1.124 135 K HN 0.464 nan 8.250 nan 0.000 0.451 136 F N 4.279 123.897 119.950 -0.552 0.000 2.391 136 F HA 0.245 4.771 4.527 -0.000 0.000 0.359 136 F C -0.367 175.247 175.800 -0.309 0.000 1.122 136 F CA -0.723 57.064 58.000 -0.354 0.000 1.120 136 F CB 0.469 39.292 39.000 -0.295 0.000 1.142 136 F HN 0.382 nan 8.300 nan 0.000 0.483 137 Y N 1.705 121.992 120.300 -0.022 0.000 2.594 137 Y HA 0.253 4.803 4.550 -0.000 0.000 0.344 137 Y C 1.106 176.918 175.900 -0.147 0.000 1.185 137 Y CA -0.890 57.108 58.100 -0.170 0.000 1.565 137 Y CB -0.465 37.730 38.460 -0.442 0.000 1.415 137 Y HN 0.589 nan 8.280 nan 0.000 0.488 138 T N -2.264 112.297 114.554 0.012 0.000 2.847 138 T HA 0.215 4.564 4.350 -0.000 0.000 0.279 138 T C 0.998 175.662 174.700 -0.059 0.000 0.984 138 T CA -0.694 61.390 62.100 -0.027 0.000 0.988 138 T CB 1.154 69.978 68.868 -0.072 0.000 1.040 138 T HN 0.616 nan 8.240 nan 0.000 0.528 139 E N -0.191 119.973 120.200 -0.061 0.000 2.274 139 E HA -0.042 4.308 4.350 -0.000 0.000 0.194 139 E C 0.548 177.115 176.600 -0.056 0.000 0.996 139 E CA 0.661 57.028 56.400 -0.055 0.000 0.840 139 E CB 0.071 29.747 29.700 -0.041 0.000 0.772 139 E HN 0.559 nan 8.360 nan 0.000 0.491 140 D N 0.122 120.481 120.400 -0.068 0.000 2.460 140 D HA 0.207 4.846 4.640 -0.000 0.000 0.229 140 D C 0.188 176.451 176.300 -0.062 0.000 1.170 140 D CA 0.429 54.388 54.000 -0.067 0.000 0.827 140 D CB 0.327 41.075 40.800 -0.087 0.000 0.973 140 D HN 0.195 nan 8.370 nan 0.000 0.496 141 G N 0.578 109.345 108.800 -0.055 0.000 2.661 141 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.685 141 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.685 141 G C -0.396 174.479 174.900 -0.042 0.000 1.298 141 G CA -1.068 44.005 45.100 -0.046 0.000 0.855 141 G HN 0.134 nan 8.290 nan 0.000 0.560 142 N N -0.745 117.926 118.700 -0.048 0.000 2.503 142 N HA 0.534 5.274 4.740 -0.000 0.000 0.267 142 N C -0.600 174.922 175.510 0.021 0.000 1.214 142 N CA 0.053 53.058 53.050 -0.075 0.000 0.959 142 N CB 1.038 39.422 38.487 -0.171 0.000 1.142 142 N HN 0.740 nan 8.380 nan 0.000 0.455 143 W N 2.421 123.605 121.300 -0.193 0.000 2.499 143 W HA 0.351 5.011 4.660 -0.000 0.000 0.320 143 W C -1.517 174.935 176.519 -0.112 0.000 1.010 143 W CA -0.833 56.379 57.345 -0.222 0.000 1.267 143 W CB 0.576 29.779 29.460 -0.428 0.000 1.316 143 W HN 0.316 nan 8.180 nan 0.000 0.431 144 D N 5.736 126.001 120.400 -0.225 0.000 2.274 144 D HA 0.207 4.847 4.640 -0.000 0.000 0.239 144 D C -0.861 175.129 176.300 -0.516 0.000 1.104 144 D CA -0.332 53.489 54.000 -0.298 0.000 0.840 144 D CB 2.156 42.921 40.800 -0.058 0.000 1.100 144 D HN 0.378 nan 8.370 nan 0.000 0.477 145 L N 4.164 124.991 121.223 -0.660 0.000 2.371 145 L HA 0.184 4.524 4.340 -0.000 0.000 0.262 145 L C -0.782 175.843 176.870 -0.407 0.000 1.054 145 L CA -0.677 53.797 54.840 -0.610 0.000 0.924 145 L CB 0.995 42.552 42.059 -0.837 0.000 1.295 145 L HN 0.073 nan 8.230 nan 0.000 0.441 146 V N 4.491 124.219 119.914 -0.310 0.000 2.229 146 V HA 0.561 4.680 4.120 -0.000 0.000 0.245 146 V C 1.075 177.058 176.094 -0.185 0.000 1.243 146 V CA 0.082 62.184 62.300 -0.331 0.000 1.176 146 V CB -0.559 31.041 31.823 -0.371 0.000 1.323 146 V HN 0.744 nan 8.190 nan 0.000 0.499 147 G N 3.573 112.295 108.800 -0.130 0.000 2.667 147 G HA2 0.656 4.616 3.960 -0.000 0.000 0.310 147 G HA3 0.656 4.616 3.960 -0.000 0.000 0.310 147 G C -0.695 174.208 174.900 0.005 0.000 1.259 147 G CA -0.872 44.200 45.100 -0.047 0.000 1.019 147 G HN 0.597 nan 8.290 nan 0.000 0.496 148 N N -0.888 117.830 118.700 0.031 0.000 2.813 148 N HA 0.267 5.007 4.740 -0.000 0.000 0.320 148 N C 0.308 175.939 175.510 0.202 0.000 1.315 148 N CA -0.909 52.234 53.050 0.155 0.000 0.871 148 N CB 0.653 39.239 38.487 0.166 0.000 1.241 148 N HN 0.495 nan 8.380 nan 0.000 0.602 149 N N -0.698 118.183 118.700 0.301 0.000 2.327 149 N HA 0.050 4.790 4.740 -0.000 0.000 0.231 149 N C -0.911 174.862 175.510 0.438 0.000 1.130 149 N CA 0.029 53.318 53.050 0.398 0.000 0.845 149 N CB 0.074 38.808 38.487 0.411 0.000 1.073 149 N HN 0.475 nan 8.380 nan 0.000 0.496 150 T N -0.021 114.623 114.554 0.150 0.000 2.923 150 T HA 0.353 4.703 4.350 -0.000 0.000 0.311 150 T C -2.515 171.635 174.700 -0.917 0.000 1.183 150 T CA -1.429 60.302 62.100 -0.614 0.000 1.020 150 T CB 2.280 70.663 68.868 -0.809 0.000 1.165 150 T HN -0.154 nan 8.240 nan 0.000 0.482 151 P HA 0.201 nan 4.420 nan 0.000 0.236 151 P C 0.494 177.355 177.300 -0.731 0.000 1.177 151 P CA 0.297 62.709 63.100 -1.146 0.000 0.773 151 P CB -0.011 31.014 31.700 -1.125 0.000 0.878 152 I N -6.105 114.013 120.570 -0.754 0.000 3.322 152 I HA 0.704 4.874 4.170 -0.000 0.000 0.313 152 I C -1.013 174.852 176.117 -0.420 0.000 1.129 152 I CA -1.531 59.421 61.300 -0.580 0.000 0.963 152 I CB 1.819 39.388 38.000 -0.718 0.000 1.273 152 I HN -0.316 nan 8.210 nan 0.000 0.473 153 F N 0.040 119.669 119.950 -0.535 0.000 2.706 153 F HA 0.559 5.086 4.527 -0.000 0.000 0.328 153 F C -0.083 175.404 175.800 -0.522 0.000 1.123 153 F CA -1.163 56.524 58.000 -0.522 0.000 0.978 153 F CB 1.678 40.533 39.000 -0.242 0.000 1.404 153 F HN 0.436 nan 8.300 nan 0.000 0.497 154 F N 1.931 121.200 119.950 -1.134 0.000 2.259 154 F HA 0.103 4.629 4.527 -0.000 0.000 0.298 154 F C 0.797 176.337 175.800 -0.434 0.000 1.088 154 F CA 1.033 58.521 58.000 -0.854 0.000 1.358 154 F CB -0.341 37.886 39.000 -1.290 0.000 1.040 154 F HN 0.151 nan 8.300 nan 0.000 0.505 155 I N -1.854 118.681 120.570 -0.059 0.000 3.042 155 I HA 0.491 4.661 4.170 -0.000 0.000 0.310 155 I C 0.357 176.590 176.117 0.193 0.000 1.117 155 I CA -1.135 60.236 61.300 0.118 0.000 1.003 155 I CB 2.437 40.574 38.000 0.228 0.000 1.228 155 I HN -0.038 nan 8.210 nan 0.000 0.443 156 R N 0.486 121.073 120.500 0.144 0.000 2.577 156 R HA 0.403 4.743 4.340 -0.000 0.000 0.344 156 R C -0.797 175.585 176.300 0.136 0.000 1.037 156 R CA -0.340 55.839 56.100 0.131 0.000 1.102 156 R CB 0.278 30.626 30.300 0.079 0.000 1.313 156 R HN 0.718 nan 8.270 nan 0.000 0.561 157 D N 1.431 121.931 120.400 0.167 0.000 2.855 157 D HA 0.163 4.802 4.640 -0.000 0.000 0.241 157 D C -1.938 174.477 176.300 0.191 0.000 1.277 157 D CA -2.078 52.011 54.000 0.148 0.000 0.918 157 D CB 2.558 43.434 40.800 0.126 0.000 1.462 157 D HN -0.169 nan 8.370 nan 0.000 0.559 158 P HA -0.128 nan 4.420 nan 0.000 0.220 158 P C 1.699 179.125 177.300 0.210 0.000 1.144 158 P CA 0.490 63.699 63.100 0.181 0.000 0.800 158 P CB 0.581 32.341 31.700 0.099 0.000 0.772 159 I N -0.865 119.804 120.570 0.164 0.000 3.083 159 I HA -0.089 4.081 4.170 -0.000 0.000 0.273 159 I C 1.834 178.055 176.117 0.172 0.000 1.297 159 I CA 0.614 62.000 61.300 0.144 0.000 1.452 159 I CB -0.061 38.000 38.000 0.101 0.000 1.078 159 I HN -0.133 nan 8.210 nan 0.000 0.484 160 L N -1.236 120.131 121.223 0.240 0.000 2.616 160 L HA 0.015 4.355 4.340 -0.000 0.000 0.229 160 L C 1.924 178.968 176.870 0.290 0.000 1.110 160 L CA 0.117 55.130 54.840 0.288 0.000 0.884 160 L CB -0.341 41.948 42.059 0.383 0.000 1.115 160 L HN 0.199 nan 8.230 nan 0.000 0.481 161 F N 2.758 122.821 119.950 0.188 0.000 2.134 161 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 161 F C -0.487 175.346 175.800 0.055 0.000 1.097 161 F CA 1.599 59.731 58.000 0.219 0.000 1.264 161 F CB -0.776 38.347 39.000 0.205 0.000 1.001 161 F HN 0.057 nan 8.300 nan 0.000 0.479 162 P HA -0.120 nan 4.420 nan 0.000 0.216 162 P C 1.863 178.793 177.300 -0.616 0.000 1.153 162 P CA 1.960 64.874 63.100 -0.311 0.000 0.848 162 P CB -0.001 31.564 31.700 -0.225 0.000 0.787 163 S N -0.937 114.521 115.700 -0.404 0.000 2.353 163 S HA -0.188 4.282 4.470 -0.000 0.000 0.222 163 S C 1.651 175.817 174.600 -0.724 0.000 1.035 163 S CA 1.199 59.147 58.200 -0.420 0.000 1.025 163 S CB -1.259 61.895 63.200 -0.075 0.000 0.902 163 S HN 0.116 nan 8.310 nan 0.000 0.440 164 F N 2.559 121.900 119.950 -1.016 0.000 2.120 164 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 164 F C 1.801 177.088 175.800 -0.855 0.000 1.095 164 F CA 1.092 58.306 58.000 -1.311 0.000 1.249 164 F CB -0.416 38.137 39.000 -0.746 0.000 0.995 164 F HN 0.108 nan 8.300 nan 0.000 0.480 165 I N 0.237 120.203 120.570 -1.007 0.000 2.202 165 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 165 I C 2.545 178.332 176.117 -0.551 0.000 1.091 165 I CA 1.617 62.387 61.300 -0.883 0.000 1.368 165 I CB -1.756 35.861 38.000 -0.638 0.000 1.058 165 I HN 0.314 nan 8.210 nan 0.000 0.410 166 H N 0.731 119.489 119.070 -0.520 0.000 2.352 166 H HA -0.152 4.404 4.556 -0.000 0.000 0.299 166 H C 2.446 177.514 175.328 -0.433 0.000 1.097 166 H CA 1.650 57.471 56.048 -0.379 0.000 1.311 166 H CB 0.114 29.717 29.762 -0.266 0.000 1.377 166 H HN 0.383 nan 8.280 nan 0.000 0.504 167 S N 0.552 115.991 115.700 -0.436 0.000 2.442 167 S HA -0.136 4.334 4.470 -0.000 0.000 0.236 167 S C 1.844 176.103 174.600 -0.568 0.000 1.007 167 S CA 0.818 58.734 58.200 -0.474 0.000 0.965 167 S CB 0.040 62.901 63.200 -0.564 0.000 0.773 167 S HN 0.358 nan 8.310 nan 0.000 0.504 168 Q N 0.883 120.245 119.800 -0.729 0.000 2.398 168 Q HA 0.301 4.641 4.340 -0.000 0.000 0.204 168 Q C 0.666 176.411 176.000 -0.425 0.000 0.932 168 Q CA 0.662 56.058 55.803 -0.679 0.000 0.916 168 Q CB 0.122 28.324 28.738 -0.893 0.000 1.024 168 Q HN 0.652 nan 8.270 nan 0.000 0.504 169 K N 0.143 120.325 120.400 -0.362 0.000 2.642 169 K HA 0.369 4.689 4.320 -0.000 0.000 0.273 169 K C 0.044 176.503 176.600 -0.234 0.000 1.029 169 K CA -0.772 55.355 56.287 -0.266 0.000 1.071 169 K CB 0.663 33.022 32.500 -0.236 0.000 1.451 169 K HN -0.121 nan 8.250 nan 0.000 0.559 170 R N 1.742 122.102 120.500 -0.233 0.000 2.643 170 R HA 0.025 4.365 4.340 -0.000 0.000 0.270 170 R C 0.311 176.516 176.300 -0.159 0.000 1.061 170 R CA -0.375 55.587 56.100 -0.230 0.000 1.107 170 R CB 0.095 30.164 30.300 -0.386 0.000 0.999 170 R HN 0.470 nan 8.270 nan 0.000 0.460 171 N N 3.619 122.251 118.700 -0.114 0.000 2.412 171 N HA -0.040 4.700 4.740 -0.000 0.000 0.254 171 N C -1.528 173.958 175.510 -0.039 0.000 1.232 171 N CA -1.031 51.977 53.050 -0.070 0.000 0.880 171 N CB 0.878 39.339 38.487 -0.043 0.000 1.076 171 N HN 0.381 nan 8.380 nan 0.000 0.458 172 P HA -0.121 nan 4.420 nan 0.000 0.230 172 P C 0.718 178.012 177.300 -0.009 0.000 1.158 172 P CA 1.258 64.334 63.100 -0.039 0.000 0.769 172 P CB 0.435 32.094 31.700 -0.068 0.000 0.807 173 Q N 0.262 120.060 119.800 -0.002 0.000 2.481 173 Q HA -0.016 4.324 4.340 -0.000 0.000 0.219 173 Q C 2.018 178.029 176.000 0.017 0.000 0.920 173 Q CA 1.241 57.044 55.803 0.000 0.000 0.915 173 Q CB -0.185 28.550 28.738 -0.005 0.000 1.057 173 Q HN 0.152 nan 8.270 nan 0.000 0.581 174 T N -3.015 111.554 114.554 0.025 0.000 3.043 174 T HA -0.045 4.305 4.350 -0.000 0.000 0.263 174 T C 0.403 175.168 174.700 0.108 0.000 1.094 174 T CA 1.058 63.181 62.100 0.039 0.000 1.127 174 T CB -0.193 68.684 68.868 0.015 0.000 0.905 174 T HN 0.626 nan 8.240 nan 0.000 0.490 175 H N 0.055 119.097 119.070 -0.048 0.000 2.969 175 H HA -0.099 4.457 4.556 -0.000 0.000 0.269 175 H C -0.739 174.559 175.328 -0.050 0.000 1.230 175 H CA 0.406 56.422 56.048 -0.053 0.000 1.123 175 H CB -2.258 27.478 29.762 -0.044 0.000 1.289 175 H HN 0.559 nan 8.280 nan 0.000 0.364 176 L N 0.143 121.330 121.223 -0.060 0.000 2.334 176 L HA 0.447 4.787 4.340 -0.000 0.000 0.270 176 L C 0.759 177.561 176.870 -0.113 0.000 1.018 176 L CA -1.422 53.365 54.840 -0.087 0.000 0.811 176 L CB 1.051 43.085 42.059 -0.041 0.000 1.271 176 L HN -0.121 nan 8.230 nan 0.000 0.443 177 K N 1.308 121.643 120.400 -0.108 0.000 2.414 177 K HA 0.099 4.418 4.320 -0.000 0.000 0.272 177 K C -0.658 175.891 176.600 -0.084 0.000 0.993 177 K CA 0.144 56.369 56.287 -0.104 0.000 0.964 177 K CB 0.329 32.784 32.500 -0.076 0.000 0.925 177 K HN 0.457 nan 8.250 nan 0.000 0.487 178 D N 2.739 123.086 120.400 -0.088 0.000 2.402 178 D HA 0.263 4.903 4.640 -0.000 0.000 0.252 178 D C -2.100 174.174 176.300 -0.043 0.000 1.294 178 D CA -2.092 51.868 54.000 -0.066 0.000 0.948 178 D CB 1.447 42.206 40.800 -0.068 0.000 1.202 178 D HN -0.011 nan 8.370 nan 0.000 0.561 179 P HA -0.080 nan 4.420 nan 0.000 0.216 179 P C 0.671 178.075 177.300 0.173 0.000 1.150 179 P CA 0.824 63.991 63.100 0.111 0.000 0.837 179 P CB 0.518 32.221 31.700 0.004 0.000 0.786 180 D N -1.619 118.815 120.400 0.057 0.000 2.144 180 D HA -0.105 4.534 4.640 -0.000 0.000 0.199 180 D C 1.906 178.225 176.300 0.031 0.000 0.984 180 D CA 1.184 55.206 54.000 0.037 0.000 0.834 180 D CB -0.544 40.260 40.800 0.006 0.000 0.955 180 D HN 0.187 nan 8.370 nan 0.000 0.465 181 M N -0.236 119.354 119.600 -0.016 0.000 2.099 181 M HA -0.121 4.359 4.480 -0.000 0.000 0.262 181 M C 2.251 178.455 176.300 -0.160 0.000 1.067 181 M CA 0.762 56.021 55.300 -0.068 0.000 1.124 181 M CB -0.124 32.407 32.600 -0.114 0.000 1.353 181 M HN -0.099 nan 8.290 nan 0.000 0.410 182 V N -0.534 119.232 119.914 -0.247 0.000 2.233 182 V HA -0.284 3.836 4.120 -0.000 0.000 0.247 182 V C 1.817 177.522 176.094 -0.648 0.000 1.050 182 V CA 2.257 64.190 62.300 -0.612 0.000 1.010 182 V CB -0.745 30.738 31.823 -0.568 0.000 0.637 182 V HN 0.571 nan 8.190 nan 0.000 0.444 183 W N -0.158 121.105 121.300 -0.061 0.000 2.518 183 W HA -0.030 4.630 4.660 -0.000 0.000 0.273 183 W C 2.263 178.804 176.519 0.037 0.000 1.247 183 W CA 0.962 58.350 57.345 0.073 0.000 1.288 183 W CB -0.485 29.024 29.460 0.081 0.000 1.107 183 W HN 0.308 nan 8.180 nan 0.000 0.586 184 D N -0.030 120.462 120.400 0.153 0.000 2.104 184 D HA -0.266 4.374 4.640 -0.000 0.000 0.194 184 D C 1.875 178.243 176.300 0.114 0.000 0.994 184 D CA 1.386 55.450 54.000 0.106 0.000 0.830 184 D CB -0.485 40.372 40.800 0.096 0.000 0.959 184 D HN 0.060 nan 8.370 nan 0.000 0.452 185 F N -0.142 119.784 119.950 -0.041 0.000 2.051 185 F HA -0.139 4.388 4.527 -0.000 0.000 0.296 185 F C 1.879 177.731 175.800 0.086 0.000 1.122 185 F CA 1.486 59.466 58.000 -0.033 0.000 1.201 185 F CB -0.438 38.468 39.000 -0.157 0.000 0.978 185 F HN 0.072 nan 8.300 nan 0.000 0.472 186 W N 0.682 121.997 121.300 0.026 0.000 2.421 186 W HA -0.119 4.541 4.660 -0.000 0.000 0.270 186 W C 2.891 179.346 176.519 -0.108 0.000 1.233 186 W CA 1.489 58.781 57.345 -0.088 0.000 1.226 186 W CB -1.698 27.666 29.460 -0.159 0.000 1.121 186 W HN 0.271 nan 8.180 nan 0.000 0.579 187 S N -0.916 114.891 115.700 0.177 0.000 2.458 187 S HA -0.001 4.469 4.470 -0.000 0.000 0.223 187 S C 1.754 176.342 174.600 -0.019 0.000 1.019 187 S CA 0.462 58.703 58.200 0.069 0.000 0.937 187 S CB -0.680 62.584 63.200 0.106 0.000 0.788 187 S HN 0.209 nan 8.310 nan 0.000 0.511 188 L N 0.202 121.389 121.223 -0.060 0.000 2.509 188 L HA 0.295 4.635 4.340 -0.000 0.000 0.222 188 L C 0.640 177.402 176.870 -0.180 0.000 1.123 188 L CA 0.213 54.992 54.840 -0.101 0.000 0.856 188 L CB 0.040 42.040 42.059 -0.097 0.000 0.985 188 L HN 0.094 nan 8.230 nan 0.000 0.456 189 R N 0.337 120.689 120.500 -0.247 0.000 2.564 189 R HA 0.226 4.566 4.340 -0.000 0.000 0.282 189 R C -1.944 174.265 176.300 -0.151 0.000 1.573 189 R CA -1.900 54.049 56.100 -0.253 0.000 1.588 189 R CB 0.254 30.258 30.300 -0.492 0.000 1.154 189 R HN -0.075 nan 8.270 nan 0.000 0.606 190 P HA -0.181 nan 4.420 nan 0.000 0.225 190 P C 0.837 178.056 177.300 -0.136 0.000 1.148 190 P CA 0.939 63.950 63.100 -0.149 0.000 0.779 190 P CB 0.408 32.026 31.700 -0.138 0.000 0.780 191 E N 1.293 121.431 120.200 -0.103 0.000 2.267 191 E HA -0.162 4.188 4.350 -0.000 0.000 0.197 191 E C 1.664 178.203 176.600 -0.103 0.000 0.998 191 E CA 1.753 58.103 56.400 -0.084 0.000 0.830 191 E CB -1.089 28.580 29.700 -0.052 0.000 0.751 191 E HN 0.364 nan 8.360 nan 0.000 0.491 192 S N 1.306 116.932 115.700 -0.123 0.000 2.447 192 S HA -0.086 4.384 4.470 -0.000 0.000 0.233 192 S C 2.182 176.657 174.600 -0.209 0.000 1.006 192 S CA 0.667 58.764 58.200 -0.170 0.000 0.957 192 S CB -0.761 62.319 63.200 -0.200 0.000 0.773 192 S HN 0.255 nan 8.310 nan 0.000 0.507 193 L N 0.896 122.012 121.223 -0.178 0.000 2.085 193 L HA -0.299 4.040 4.340 -0.000 0.000 0.218 193 L C 2.816 179.708 176.870 0.036 0.000 1.080 193 L CA 2.365 57.142 54.840 -0.105 0.000 0.776 193 L CB -0.969 41.023 42.059 -0.113 0.000 0.891 193 L HN 0.531 nan 8.230 nan 0.000 0.437 194 H N -0.845 118.141 119.070 -0.139 0.000 2.256 194 H HA -0.249 4.307 4.556 -0.000 0.000 0.299 194 H C 2.396 177.570 175.328 -0.257 0.000 1.071 194 H CA 1.552 57.494 56.048 -0.177 0.000 1.280 194 H CB 0.233 29.854 29.762 -0.236 0.000 1.370 194 H HN 0.184 nan 8.280 nan 0.000 0.490 195 Q N 0.709 120.308 119.800 -0.334 0.000 2.291 195 Q HA -0.077 4.262 4.340 -0.000 0.000 0.205 195 Q C 2.145 177.962 176.000 -0.304 0.000 0.970 195 Q CA 1.167 56.629 55.803 -0.569 0.000 0.876 195 Q CB -0.254 27.832 28.738 -1.087 0.000 0.935 195 Q HN 0.365 nan 8.270 nan 0.000 0.455 196 V N -0.221 119.603 119.914 -0.151 0.000 2.453 196 V HA -0.172 3.947 4.120 -0.000 0.000 0.247 196 V C 2.102 178.369 176.094 0.289 0.000 1.048 196 V CA 1.779 64.095 62.300 0.026 0.000 1.049 196 V CB -0.565 31.101 31.823 -0.263 0.000 0.672 196 V HN 0.312 nan 8.190 nan 0.000 0.457 197 S N -0.347 115.516 115.700 0.271 0.000 2.419 197 S HA -0.145 4.325 4.470 -0.000 0.000 0.233 197 S C 1.694 176.517 174.600 0.373 0.000 1.016 197 S CA 1.566 60.022 58.200 0.426 0.000 0.974 197 S CB -0.353 63.155 63.200 0.512 0.000 0.786 197 S HN 0.640 nan 8.310 nan 0.000 0.492 198 F N 1.654 121.570 119.950 -0.056 0.000 2.219 198 F HA 0.155 4.682 4.527 -0.000 0.000 0.294 198 F C 1.766 177.586 175.800 0.034 0.000 1.086 198 F CA 0.472 58.394 58.000 -0.130 0.000 1.330 198 F CB -0.297 38.460 39.000 -0.404 0.000 1.047 198 F HN 0.124 nan 8.300 nan 0.000 0.495 199 L N -0.418 120.940 121.223 0.225 0.000 2.191 199 L HA -0.122 4.218 4.340 -0.000 0.000 0.212 199 L C 1.127 177.912 176.870 -0.142 0.000 1.103 199 L CA 1.884 56.780 54.840 0.092 0.000 0.769 199 L CB -0.945 41.233 42.059 0.197 0.000 0.908 199 L HN 0.136 nan 8.230 nan 0.000 0.438 200 F N -1.010 118.998 119.950 0.096 0.000 2.693 200 F HA 0.249 4.776 4.527 -0.000 0.000 0.303 200 F C 1.557 177.394 175.800 0.061 0.000 1.097 200 F CA 0.086 58.145 58.000 0.098 0.000 1.330 200 F CB -0.425 38.662 39.000 0.144 0.000 1.067 200 F HN 0.122 nan 8.300 nan 0.000 0.565 201 S N -1.161 114.606 115.700 0.112 0.000 2.671 201 S HA 0.117 4.587 4.470 -0.000 0.000 0.272 201 S C 1.210 175.787 174.600 -0.039 0.000 1.174 201 S CA -0.679 57.557 58.200 0.060 0.000 1.004 201 S CB 0.687 63.940 63.200 0.088 0.000 1.077 201 S HN 0.140 nan 8.310 nan 0.000 0.553 202 D N 0.477 120.853 120.400 -0.039 0.000 2.221 202 D HA -0.099 4.541 4.640 -0.000 0.000 0.204 202 D C 1.636 177.885 176.300 -0.084 0.000 0.982 202 D CA 1.060 55.033 54.000 -0.046 0.000 0.857 202 D CB -0.177 40.605 40.800 -0.031 0.000 0.934 202 D HN 0.509 nan 8.370 nan 0.000 0.475 203 R N 0.417 120.809 120.500 -0.180 0.000 2.339 203 R HA 0.036 4.376 4.340 -0.000 0.000 0.199 203 R C 2.050 178.231 176.300 -0.198 0.000 1.018 203 R CA 0.225 56.191 56.100 -0.223 0.000 1.036 203 R CB -0.121 29.920 30.300 -0.433 0.000 0.899 203 R HN 0.106 nan 8.270 nan 0.000 0.473 204 G N 0.877 109.576 108.800 -0.168 0.000 2.448 204 G HA2 -0.076 3.884 3.960 -0.000 0.000 0.218 204 G HA3 -0.076 3.884 3.960 -0.000 0.000 0.218 204 G C 0.844 175.724 174.900 -0.033 0.000 1.135 204 G CA 0.244 45.281 45.100 -0.105 0.000 0.784 204 G HN 0.174 nan 8.290 nan 0.000 0.543 205 I N 2.521 123.076 120.570 -0.025 0.000 2.668 205 I HA 0.236 4.406 4.170 -0.000 0.000 0.276 205 I C -2.428 173.702 176.117 0.022 0.000 1.139 205 I CA -2.016 59.285 61.300 0.001 0.000 1.133 205 I CB 2.011 39.998 38.000 -0.022 0.000 1.327 205 I HN -0.081 nan 8.210 nan 0.000 0.520 206 P HA -0.013 nan 4.420 nan 0.000 0.269 206 P C -0.526 176.831 177.300 0.094 0.000 1.209 206 P CA -0.063 63.096 63.100 0.099 0.000 0.776 206 P CB 1.159 32.954 31.700 0.158 0.000 0.876 207 D N 1.623 122.092 120.400 0.115 0.000 2.483 207 D HA 0.365 5.005 4.640 -0.000 0.000 0.220 207 D C 0.807 177.259 176.300 0.254 0.000 1.173 207 D CA 0.679 54.774 54.000 0.158 0.000 0.964 207 D CB -1.011 39.855 40.800 0.110 0.000 1.046 207 D HN 0.675 nan 8.370 nan 0.000 0.517 208 G N 3.320 112.242 108.800 0.204 0.000 2.795 208 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.664 208 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.664 208 G C 0.571 175.394 174.900 -0.129 0.000 1.381 208 G CA -0.571 44.512 45.100 -0.029 0.000 0.853 208 G HN 0.548 nan 8.290 nan 0.000 0.545 209 H N 0.463 119.396 119.070 -0.228 0.000 2.535 209 H HA 0.081 4.637 4.556 -0.000 0.000 0.273 209 H C 2.632 177.712 175.328 -0.413 0.000 0.983 209 H CA 1.185 56.878 56.048 -0.592 0.000 1.238 209 H CB 0.185 29.061 29.762 -1.477 0.000 1.412 209 H HN 0.536 nan 8.280 nan 0.000 0.562 210 R N 0.370 120.767 120.500 -0.172 0.000 2.307 210 R HA 0.005 4.345 4.340 -0.000 0.000 0.199 210 R C 0.180 176.262 176.300 -0.363 0.000 1.000 210 R CA 0.433 56.403 56.100 -0.217 0.000 1.023 210 R CB 0.244 30.307 30.300 -0.394 0.000 0.908 210 R HN 0.364 nan 8.270 nan 0.000 0.473 211 H N 0.252 119.353 119.070 0.051 0.000 2.467 211 H HA 0.228 4.784 4.556 -0.000 0.000 0.275 211 H C 0.060 175.474 175.328 0.143 0.000 1.131 211 H CA -0.043 56.040 56.048 0.058 0.000 0.989 211 H CB 0.188 29.971 29.762 0.036 0.000 1.696 211 H HN 0.171 nan 8.280 nan 0.000 0.574 212 M N -1.155 118.649 119.600 0.340 0.000 2.619 212 M HA 0.499 4.979 4.480 -0.000 0.000 0.297 212 M C -1.016 175.605 176.300 0.535 0.000 1.229 212 M CA -1.057 54.471 55.300 0.379 0.000 0.860 212 M CB 2.217 35.023 32.600 0.343 0.000 1.741 212 M HN -0.274 nan 8.290 nan 0.000 0.462 213 N N 0.274 119.208 118.700 0.391 0.000 2.434 213 N HA 0.707 5.447 4.740 -0.000 0.000 0.266 213 N C -0.582 174.906 175.510 -0.036 0.000 1.223 213 N CA -0.088 53.088 53.050 0.210 0.000 0.972 213 N CB 1.489 39.925 38.487 -0.084 0.000 1.207 213 N HN 0.895 nan 8.380 nan 0.000 0.525 214 G N -0.203 108.150 108.800 -0.745 0.000 2.566 214 G HA2 0.626 4.586 3.960 -0.000 0.000 0.311 214 G HA3 0.626 4.586 3.960 -0.000 0.000 0.311 214 G C -1.736 171.963 174.900 -2.001 0.000 1.322 214 G CA -0.261 43.825 45.100 -1.690 0.000 0.969 214 G HN 0.373 nan 8.290 nan 0.000 0.490 215 Y N 0.207 119.909 120.300 -0.997 0.000 2.457 215 Y HA 0.481 5.031 4.550 -0.000 0.000 0.343 215 Y C 1.180 176.884 175.900 -0.327 0.000 0.994 215 Y CA -0.405 57.320 58.100 -0.625 0.000 1.031 215 Y CB 2.732 40.907 38.460 -0.476 0.000 1.246 215 Y HN 0.612 nan 8.280 nan 0.000 0.449 216 G N 0.105 108.934 108.800 0.048 0.000 2.572 216 G HA2 0.057 4.016 3.960 -0.000 0.000 0.216 216 G HA3 0.057 4.016 3.960 -0.000 0.000 0.216 216 G C 0.959 175.953 174.900 0.157 0.000 1.133 216 G CA 0.877 46.108 45.100 0.219 0.000 0.791 216 G HN 0.737 nan 8.290 nan 0.000 0.538 217 S N -0.852 114.809 115.700 -0.064 0.000 1.637 217 S HA -0.258 4.212 4.470 -0.000 0.000 0.232 217 S C 1.001 175.425 174.600 -0.294 0.000 0.808 217 S CA 1.466 59.495 58.200 -0.284 0.000 1.437 217 S CB -1.246 61.720 63.200 -0.390 0.000 1.838 217 S HN 0.675 nan 8.310 nan 0.000 0.525 218 H N 1.710 120.720 119.070 -0.100 0.000 2.745 218 H HA 0.284 4.840 4.556 -0.000 0.000 0.373 218 H C 0.470 175.583 175.328 -0.358 0.000 1.226 218 H CA 0.991 56.852 56.048 -0.311 0.000 1.435 218 H CB 0.107 29.506 29.762 -0.605 0.000 1.461 218 H HN 0.337 nan 8.280 nan 0.000 0.616 219 T N 3.228 117.614 114.554 -0.281 0.000 2.744 219 T HA 0.311 4.661 4.350 -0.000 0.000 0.291 219 T C -0.113 174.428 174.700 -0.265 0.000 0.957 219 T CA -0.269 61.684 62.100 -0.245 0.000 1.002 219 T CB -0.129 68.695 68.868 -0.073 0.000 0.919 219 T HN 0.188 nan 8.240 nan 0.000 0.468 220 F N 1.640 121.615 119.950 0.042 0.000 2.585 220 F HA 0.640 5.167 4.527 -0.000 0.000 0.350 220 F C 0.585 176.522 175.800 0.229 0.000 1.074 220 F CA -1.253 56.831 58.000 0.139 0.000 1.032 220 F CB 1.189 40.336 39.000 0.245 0.000 1.330 220 F HN 0.214 nan 8.300 nan 0.000 0.495 221 K N 1.192 121.845 120.400 0.422 0.000 2.345 221 K HA 0.644 4.964 4.320 -0.000 0.000 0.255 221 K C -1.752 174.958 176.600 0.184 0.000 0.934 221 K CA -0.409 56.060 56.287 0.303 0.000 0.801 221 K CB 1.153 33.797 32.500 0.241 0.000 1.137 221 K HN 0.578 nan 8.250 nan 0.000 0.424 222 L N 3.822 125.111 121.223 0.109 0.000 2.325 222 L HA 0.588 4.928 4.340 -0.000 0.000 0.278 222 L C -0.837 176.056 176.870 0.039 0.000 1.023 222 L CA -1.231 53.658 54.840 0.083 0.000 0.811 222 L CB 1.969 44.071 42.059 0.072 0.000 1.249 222 L HN 0.360 nan 8.230 nan 0.000 0.431 223 V N 1.636 121.578 119.914 0.047 0.000 2.638 223 V HA 0.348 4.468 4.120 -0.000 0.000 0.306 223 V C -0.548 175.576 176.094 0.051 0.000 1.052 223 V CA -0.872 61.446 62.300 0.030 0.000 0.885 223 V CB 2.022 33.873 31.823 0.047 0.000 0.999 223 V HN 0.922 nan 8.190 nan 0.000 0.424 224 N N 3.574 122.299 118.700 0.041 0.000 2.491 224 N HA 0.546 5.286 4.740 -0.000 0.000 0.279 224 N C 1.013 176.538 175.510 0.025 0.000 1.236 224 N CA -0.153 52.918 53.050 0.035 0.000 0.982 224 N CB 1.096 39.592 38.487 0.015 0.000 1.194 224 N HN 0.598 nan 8.380 nan 0.000 0.582 225 A N -0.371 122.460 122.820 0.018 0.000 2.131 225 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 225 A C 1.268 178.856 177.584 0.006 0.000 1.158 225 A CA 1.341 53.386 52.037 0.013 0.000 0.665 225 A CB -1.248 17.758 19.000 0.011 0.000 0.795 225 A HN 0.828 nan 8.150 nan 0.000 0.460 226 N N -1.758 116.942 118.700 0.001 0.000 2.373 226 N HA 0.278 5.018 4.740 -0.000 0.000 0.181 226 N C 1.080 176.589 175.510 -0.002 0.000 1.082 226 N CA 0.471 53.517 53.050 -0.007 0.000 0.885 226 N CB 0.231 38.708 38.487 -0.018 0.000 0.977 226 N HN 0.565 nan 8.380 nan 0.000 0.462 227 G N 1.045 109.855 108.800 0.017 0.000 2.176 227 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.232 227 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.232 227 G C -0.297 174.648 174.900 0.075 0.000 0.986 227 G CA -0.350 44.777 45.100 0.045 0.000 0.643 227 G HN 0.328 nan 8.290 nan 0.000 0.522 228 E N 0.681 120.886 120.200 0.009 0.000 2.360 228 E HA 0.559 4.909 4.350 -0.000 0.000 0.269 228 E C 0.474 177.020 176.600 -0.091 0.000 1.022 228 E CA 0.413 56.783 56.400 -0.050 0.000 0.887 228 E CB 1.208 30.873 29.700 -0.059 0.000 0.990 228 E HN 0.724 nan 8.360 nan 0.000 0.426 229 A N 2.357 125.010 122.820 -0.280 0.000 2.380 229 A HA 0.727 5.047 4.320 -0.000 0.000 0.315 229 A C -0.622 176.806 177.584 -0.260 0.000 1.101 229 A CA -0.688 51.128 52.037 -0.368 0.000 0.771 229 A CB 1.340 19.818 19.000 -0.869 0.000 1.287 229 A HN 0.438 nan 8.150 nan 0.000 0.436 230 V N -1.872 118.013 119.914 -0.048 0.000 3.159 230 V HA 0.802 4.922 4.120 -0.000 0.000 0.308 230 V C -1.413 174.710 176.094 0.047 0.000 1.190 230 V CA -1.033 61.307 62.300 0.068 0.000 1.037 230 V CB 1.262 33.145 31.823 0.101 0.000 1.060 230 V HN 0.772 nan 8.190 nan 0.000 0.437 231 Y N 1.077 121.510 120.300 0.222 0.000 2.419 231 Y HA 0.869 5.418 4.550 -0.000 0.000 0.328 231 Y C 0.627 176.685 175.900 0.264 0.000 1.162 231 Y CA -0.304 57.938 58.100 0.236 0.000 1.174 231 Y CB 1.678 40.296 38.460 0.264 0.000 1.228 231 Y HN 1.303 nan 8.280 nan 0.000 0.473 232 C N 0.481 120.019 119.300 0.396 0.000 3.314 232 C HA 0.805 5.265 4.460 -0.000 0.000 0.344 232 C C -1.782 173.050 174.990 -0.262 0.000 1.461 232 C CA -1.215 57.869 59.018 0.110 0.000 1.249 232 C CB 2.108 29.736 27.740 -0.186 0.000 1.632 232 C HN 0.730 nan 8.230 nan 0.000 0.452 233 K N 0.715 120.901 120.400 -0.357 0.000 2.482 233 K HA 0.610 4.930 4.320 -0.000 0.000 0.251 233 K C -1.800 174.663 176.600 -0.229 0.000 0.936 233 K CA -0.038 56.034 56.287 -0.359 0.000 0.791 233 K CB 1.771 34.062 32.500 -0.349 0.000 1.213 233 K HN 0.710 nan 8.250 nan 0.000 0.428 234 F N 2.230 122.178 119.950 -0.002 0.000 2.399 234 F HA 0.398 4.924 4.527 -0.000 0.000 0.334 234 F C 0.881 176.571 175.800 -0.183 0.000 1.097 234 F CA -0.167 57.794 58.000 -0.065 0.000 1.076 234 F CB 1.048 40.027 39.000 -0.034 0.000 1.162 234 F HN 0.287 nan 8.300 nan 0.000 0.495 235 H N 2.283 121.300 119.070 -0.089 0.000 2.894 235 H HA 0.328 4.884 4.556 -0.000 0.000 0.367 235 H C -1.656 173.634 175.328 -0.064 0.000 1.144 235 H CA -0.926 55.042 56.048 -0.133 0.000 1.180 235 H CB 2.314 32.053 29.762 -0.039 0.000 1.758 235 H HN 0.529 nan 8.280 nan 0.000 0.541 236 Y N 0.323 120.526 120.300 -0.162 0.000 2.402 236 Y HA 0.355 4.905 4.550 -0.000 0.000 0.325 236 Y C -0.448 175.595 175.900 0.238 0.000 1.009 236 Y CA -1.506 56.617 58.100 0.038 0.000 1.278 236 Y CB 0.358 38.797 38.460 -0.035 0.000 1.105 236 Y HN 0.182 nan 8.280 nan 0.000 0.476 237 K N 1.495 122.159 120.400 0.439 0.000 2.249 237 K HA 0.214 4.534 4.320 -0.000 0.000 0.280 237 K C 0.196 177.013 176.600 0.361 0.000 1.033 237 K CA -0.381 56.125 56.287 0.366 0.000 0.946 237 K CB 1.604 34.311 32.500 0.345 0.000 1.005 237 K HN 0.787 nan 8.250 nan 0.000 0.469 238 T N 2.368 117.057 114.554 0.225 0.000 2.784 238 T HA 0.006 4.356 4.350 -0.000 0.000 0.291 238 T C 0.615 175.216 174.700 -0.165 0.000 0.942 238 T CA -0.331 61.637 62.100 -0.220 0.000 1.161 238 T CB -0.027 68.798 68.868 -0.071 0.000 0.885 238 T HN 0.272 nan 8.240 nan 0.000 0.534 239 D N 4.035 124.266 120.400 -0.282 0.000 2.219 239 D HA -0.053 4.587 4.640 -0.000 0.000 0.205 239 D C 1.754 177.987 176.300 -0.112 0.000 0.970 239 D CA 0.980 54.908 54.000 -0.119 0.000 0.851 239 D CB 0.194 40.935 40.800 -0.098 0.000 0.943 239 D HN 0.623 nan 8.370 nan 0.000 0.488 240 Q N 0.156 119.825 119.800 -0.220 0.000 2.515 240 Q HA 0.274 4.614 4.340 -0.000 0.000 0.212 240 Q C 0.763 176.844 176.000 0.136 0.000 0.970 240 Q CA 0.378 56.124 55.803 -0.094 0.000 0.941 240 Q CB 0.020 28.556 28.738 -0.335 0.000 0.998 240 Q HN 0.247 nan 8.270 nan 0.000 0.518 241 G N 0.182 109.031 108.800 0.082 0.000 2.731 241 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.686 241 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.686 241 G C -0.531 174.478 174.900 0.182 0.000 1.395 241 G CA -0.859 44.315 45.100 0.123 0.000 0.870 241 G HN 0.097 nan 8.290 nan 0.000 0.591 242 I N 1.026 121.674 120.570 0.129 0.000 2.754 242 I HA 0.471 4.641 4.170 -0.000 0.000 0.285 242 I C 0.746 176.893 176.117 0.050 0.000 1.166 242 I CA 0.641 62.020 61.300 0.132 0.000 1.417 242 I CB 1.322 39.395 38.000 0.123 0.000 1.382 242 I HN 0.778 nan 8.210 nan 0.000 0.588 243 K N 4.570 124.997 120.400 0.045 0.000 2.584 243 K HA 0.319 4.639 4.320 -0.000 0.000 0.260 243 K C -1.614 174.990 176.600 0.006 0.000 0.949 243 K CA -0.593 55.657 56.287 -0.063 0.000 0.888 243 K CB 1.352 33.641 32.500 -0.351 0.000 1.330 243 K HN 0.620 nan 8.250 nan 0.000 0.432 244 N N 3.430 122.126 118.700 -0.008 0.000 2.381 244 N HA 0.494 5.233 4.740 -0.000 0.000 0.294 244 N C -0.943 174.557 175.510 -0.015 0.000 1.216 244 N CA -0.671 52.381 53.050 0.004 0.000 0.803 244 N CB 1.509 39.995 38.487 -0.002 0.000 1.372 244 N HN 0.368 nan 8.380 nan 0.000 0.500 245 L N 0.991 122.201 121.223 -0.021 0.000 2.307 245 L HA 0.312 4.652 4.340 -0.000 0.000 0.282 245 L C 1.064 177.912 176.870 -0.037 0.000 1.051 245 L CA -0.623 54.189 54.840 -0.046 0.000 0.804 245 L CB 1.226 43.232 42.059 -0.088 0.000 1.197 245 L HN 0.631 nan 8.230 nan 0.000 0.431 246 S N 1.599 117.279 115.700 -0.034 0.000 2.584 246 S HA 0.129 4.599 4.470 -0.000 0.000 0.270 246 S C 1.260 175.848 174.600 -0.020 0.000 1.346 246 S CA -0.904 57.283 58.200 -0.021 0.000 1.018 246 S CB 1.347 64.537 63.200 -0.016 0.000 0.899 246 S HN 0.348 nan 8.310 nan 0.000 0.542 247 V N 1.798 121.711 119.914 -0.002 0.000 2.324 247 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 247 V C 2.593 178.686 176.094 -0.003 0.000 1.060 247 V CA 2.428 64.732 62.300 0.007 0.000 1.042 247 V CB -1.439 30.404 31.823 0.034 0.000 0.650 247 V HN 0.854 nan 8.190 nan 0.000 0.450 248 E N 0.352 120.550 120.200 -0.003 0.000 2.031 248 E HA -0.175 4.175 4.350 -0.000 0.000 0.193 248 E C 2.025 178.610 176.600 -0.026 0.000 0.994 248 E CA 1.484 57.880 56.400 -0.007 0.000 0.800 248 E CB -0.486 29.212 29.700 -0.003 0.000 0.752 248 E HN 0.600 nan 8.360 nan 0.000 0.447 249 D N 0.250 120.627 120.400 -0.039 0.000 2.117 249 D HA -0.123 4.516 4.640 -0.000 0.000 0.197 249 D C 1.839 178.078 176.300 -0.100 0.000 0.987 249 D CA 1.411 55.372 54.000 -0.066 0.000 0.829 249 D CB -0.317 40.439 40.800 -0.074 0.000 0.961 249 D HN 0.199 nan 8.370 nan 0.000 0.460 250 A N 1.119 123.884 122.820 -0.092 0.000 1.940 250 A HA -0.094 4.225 4.320 -0.000 0.000 0.219 250 A C 2.295 179.832 177.584 -0.078 0.000 1.176 250 A CA 2.292 54.265 52.037 -0.106 0.000 0.631 250 A CB -0.480 18.480 19.000 -0.067 0.000 0.814 250 A HN 0.270 nan 8.150 nan 0.000 0.446 251 A N -0.527 122.265 122.820 -0.046 0.000 1.878 251 A HA -0.010 4.310 4.320 -0.000 0.000 0.213 251 A C 2.210 179.776 177.584 -0.031 0.000 1.192 251 A CA 1.301 53.322 52.037 -0.027 0.000 0.619 251 A CB -0.483 18.513 19.000 -0.007 0.000 0.837 251 A HN 0.531 nan 8.150 nan 0.000 0.446 252 R N -0.129 120.350 120.500 -0.034 0.000 2.127 252 R HA -0.096 4.244 4.340 -0.000 0.000 0.238 252 R C 1.733 178.010 176.300 -0.038 0.000 1.134 252 R CA 1.618 57.702 56.100 -0.028 0.000 0.975 252 R CB -0.382 29.903 30.300 -0.025 0.000 0.865 252 R HN 0.513 nan 8.270 nan 0.000 0.447 253 L N 0.577 121.754 121.223 -0.076 0.000 2.131 253 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 253 L C 2.593 179.427 176.870 -0.060 0.000 1.087 253 L CA 1.290 56.069 54.840 -0.101 0.000 0.767 253 L CB -0.401 41.500 42.059 -0.263 0.000 0.917 253 L HN 0.352 nan 8.230 nan 0.000 0.441 254 S N -0.886 114.781 115.700 -0.054 0.000 2.465 254 S HA -0.253 4.217 4.470 -0.000 0.000 0.241 254 S C 1.841 176.438 174.600 -0.004 0.000 1.000 254 S CA 1.280 59.466 58.200 -0.022 0.000 0.964 254 S CB -0.191 62.998 63.200 -0.017 0.000 0.763 254 S HN 0.509 nan 8.310 nan 0.000 0.512 255 Q N 0.803 120.599 119.800 -0.006 0.000 2.390 255 Q HA 0.111 4.451 4.340 -0.000 0.000 0.216 255 Q C 1.704 177.710 176.000 0.009 0.000 0.916 255 Q CA 0.795 56.600 55.803 0.003 0.000 0.911 255 Q CB -0.069 28.669 28.738 0.001 0.000 1.035 255 Q HN 0.764 nan 8.270 nan 0.000 0.541 256 E N 0.427 120.633 120.200 0.010 0.000 2.112 256 E HA -0.075 4.274 4.350 -0.000 0.000 0.190 256 E C -0.168 176.455 176.600 0.038 0.000 0.979 256 E CA 0.831 57.244 56.400 0.022 0.000 0.814 256 E CB 0.367 30.081 29.700 0.023 0.000 0.762 256 E HN 0.097 nan 8.360 nan 0.000 0.460 257 D N -0.930 119.500 120.400 0.050 0.000 2.411 257 D HA 0.067 4.707 4.640 -0.000 0.000 0.239 257 D C -2.209 174.143 176.300 0.087 0.000 1.307 257 D CA -1.781 52.268 54.000 0.081 0.000 0.930 257 D CB 1.095 41.980 40.800 0.142 0.000 1.395 257 D HN -0.188 nan 8.370 nan 0.000 0.536 258 P HA 0.014 nan 4.420 nan 0.000 0.231 258 P C -0.033 177.314 177.300 0.078 0.000 1.158 258 P CA 0.600 63.733 63.100 0.054 0.000 0.763 258 P CB 0.556 32.276 31.700 0.035 0.000 0.805 259 D N -1.826 118.625 120.400 0.084 0.000 2.462 259 D HA 0.016 4.656 4.640 -0.000 0.000 0.221 259 D C 1.366 177.731 176.300 0.108 0.000 1.173 259 D CA -0.610 53.438 54.000 0.080 0.000 0.831 259 D CB -0.484 40.330 40.800 0.025 0.000 1.001 259 D HN 0.099 nan 8.370 nan 0.000 0.499 260 Y N 2.306 122.602 120.300 -0.007 0.000 2.062 260 Y HA -0.339 4.211 4.550 -0.000 0.000 0.276 260 Y C 2.324 178.192 175.900 -0.054 0.000 1.189 260 Y CA 2.483 60.570 58.100 -0.022 0.000 1.130 260 Y CB -0.413 38.032 38.460 -0.025 0.000 0.959 260 Y HN 0.084 nan 8.280 nan 0.000 0.499 261 G N 0.062 108.925 108.800 0.106 0.000 2.440 261 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.218 261 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.218 261 G C 1.666 176.486 174.900 -0.133 0.000 1.154 261 G CA 1.482 46.455 45.100 -0.212 0.000 0.767 261 G HN 0.546 nan 8.290 nan 0.000 0.552 262 I N -0.231 120.372 120.570 0.056 0.000 2.202 262 I HA -0.093 4.077 4.170 -0.000 0.000 0.242 262 I C 2.825 178.995 176.117 0.088 0.000 1.091 262 I CA 1.037 62.418 61.300 0.136 0.000 1.368 262 I CB -0.256 37.815 38.000 0.117 0.000 1.058 262 I HN 0.072 nan 8.210 nan 0.000 0.410 263 R N 0.862 121.357 120.500 -0.009 0.000 2.081 263 R HA -0.230 4.110 4.340 -0.000 0.000 0.235 263 R C 2.167 178.449 176.300 -0.031 0.000 1.131 263 R CA 2.041 58.129 56.100 -0.020 0.000 0.960 263 R CB -0.376 29.880 30.300 -0.074 0.000 0.856 263 R HN 0.427 nan 8.270 nan 0.000 0.436 264 D N 0.363 120.642 120.400 -0.202 0.000 2.078 264 D HA -0.210 4.430 4.640 -0.000 0.000 0.193 264 D C 1.970 178.233 176.300 -0.062 0.000 0.990 264 D CA 1.339 55.203 54.000 -0.227 0.000 0.827 264 D CB -0.038 40.494 40.800 -0.447 0.000 0.975 264 D HN 0.204 nan 8.370 nan 0.000 0.451 265 L N 0.089 121.302 121.223 -0.017 0.000 2.042 265 L HA -0.138 4.202 4.340 -0.000 0.000 0.210 265 L C 2.380 179.347 176.870 0.161 0.000 1.076 265 L CA 1.568 56.463 54.840 0.092 0.000 0.749 265 L CB -1.009 41.167 42.059 0.194 0.000 0.893 265 L HN 0.077 nan 8.230 nan 0.000 0.432 266 F N 0.230 120.220 119.950 0.066 0.000 2.113 266 F HA -0.221 4.305 4.527 -0.000 0.000 0.297 266 F C 2.335 178.173 175.800 0.064 0.000 1.103 266 F CA 1.867 59.920 58.000 0.089 0.000 1.248 266 F CB -0.348 38.702 39.000 0.084 0.000 0.999 266 F HN 0.221 nan 8.300 nan 0.000 0.475 267 N N 0.843 119.706 118.700 0.273 0.000 2.120 267 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 267 N C 2.045 177.571 175.510 0.027 0.000 1.024 267 N CA 1.410 54.549 53.050 0.148 0.000 0.852 267 N CB -1.027 37.524 38.487 0.107 0.000 1.003 267 N HN 0.396 nan 8.380 nan 0.000 0.424 268 A N 1.743 124.572 122.820 0.015 0.000 1.869 268 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 268 A C 2.363 179.936 177.584 -0.020 0.000 1.203 268 A CA 1.489 53.519 52.037 -0.013 0.000 0.638 268 A CB -0.992 18.004 19.000 -0.007 0.000 0.831 268 A HN 0.256 nan 8.150 nan 0.000 0.450 269 I N -0.488 120.095 120.570 0.021 0.000 2.226 269 I HA -0.263 3.907 4.170 -0.000 0.000 0.245 269 I C 2.867 178.992 176.117 0.013 0.000 1.100 269 I CA 1.059 62.421 61.300 0.103 0.000 1.374 269 I CB -0.303 37.751 38.000 0.090 0.000 1.057 269 I HN 0.381 nan 8.210 nan 0.000 0.413 270 A N 0.146 122.886 122.820 -0.133 0.000 2.121 270 A HA -0.153 4.167 4.320 -0.000 0.000 0.218 270 A C 2.021 179.572 177.584 -0.054 0.000 1.154 270 A CA 1.897 53.860 52.037 -0.123 0.000 0.679 270 A CB -0.829 18.073 19.000 -0.163 0.000 0.795 270 A HN 0.519 nan 8.150 nan 0.000 0.458 271 T N -5.254 109.257 114.554 -0.072 0.000 3.214 271 T HA 0.455 4.805 4.350 -0.000 0.000 0.264 271 T C 1.173 175.764 174.700 -0.182 0.000 1.012 271 T CA 0.881 62.929 62.100 -0.086 0.000 0.901 271 T CB 0.011 68.848 68.868 -0.050 0.000 1.070 271 T HN 1.580 nan 8.240 nan 0.000 0.561 272 G N 1.813 110.411 108.800 -0.337 0.000 2.179 272 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.260 272 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.260 272 G C 0.395 174.849 174.900 -0.742 0.000 0.977 272 G CA 0.087 44.753 45.100 -0.724 0.000 0.641 272 G HN 0.538 nan 8.290 nan 0.000 0.533 273 K N 1.244 121.422 120.400 -0.369 0.000 3.277 273 K HA 0.378 4.697 4.320 -0.000 0.000 0.280 273 K C 0.129 176.690 176.600 -0.066 0.000 1.182 273 K CA -0.562 55.610 56.287 -0.193 0.000 1.219 273 K CB -0.770 31.671 32.500 -0.098 0.000 1.373 273 K HN 0.469 nan 8.250 nan 0.000 0.392 274 Y N 1.720 122.025 120.300 0.009 0.000 2.852 274 Y HA -0.041 4.509 4.550 -0.000 0.000 0.343 274 Y C -1.591 174.313 175.900 0.006 0.000 1.280 274 Y CA -2.277 55.840 58.100 0.030 0.000 1.604 274 Y CB -0.889 37.604 38.460 0.055 0.000 1.216 274 Y HN 0.274 nan 8.280 nan 0.000 0.541 275 P HA 0.264 nan 4.420 nan 0.000 0.282 275 P C -0.724 176.585 177.300 0.014 0.000 1.249 275 P CA -0.448 62.637 63.100 -0.026 0.000 0.806 275 P CB 1.842 33.517 31.700 -0.041 0.000 0.984 276 S N 1.279 116.834 115.700 -0.241 0.000 2.595 276 S HA 0.718 5.188 4.470 -0.000 0.000 0.281 276 S C -1.426 173.051 174.600 -0.204 0.000 1.117 276 S CA -0.755 57.438 58.200 -0.012 0.000 0.873 276 S CB 1.658 64.878 63.200 0.035 0.000 1.108 276 S HN 0.535 nan 8.310 nan 0.000 0.477 277 W N 0.377 121.783 121.300 0.176 0.000 2.950 277 W HA 0.449 5.109 4.660 -0.000 0.000 0.340 277 W C -0.965 175.673 176.519 0.198 0.000 1.139 277 W CA -0.733 56.754 57.345 0.236 0.000 1.188 277 W CB 2.515 32.191 29.460 0.359 0.000 1.426 277 W HN 0.609 nan 8.180 nan 0.000 0.531 278 T N 2.608 117.379 114.554 0.362 0.000 2.767 278 T HA 0.279 4.628 4.350 -0.000 0.000 0.284 278 T C -0.830 173.949 174.700 0.132 0.000 0.973 278 T CA -0.244 61.949 62.100 0.156 0.000 0.996 278 T CB 0.589 69.452 68.868 -0.008 0.000 0.927 278 T HN 0.141 nan 8.240 nan 0.000 0.456 279 F N 4.547 124.498 119.950 0.001 0.000 2.404 279 F HA 0.479 5.006 4.527 -0.000 0.000 0.358 279 F C -0.680 175.083 175.800 -0.062 0.000 1.120 279 F CA -0.454 57.618 58.000 0.121 0.000 1.144 279 F CB 0.194 39.401 39.000 0.344 0.000 1.133 279 F HN 0.545 nan 8.300 nan 0.000 0.495 280 Y N 5.460 125.732 120.300 -0.046 0.000 2.675 280 Y HA 0.728 5.278 4.550 -0.000 0.000 0.328 280 Y C -0.001 175.843 175.900 -0.093 0.000 1.092 280 Y CA -1.266 56.810 58.100 -0.041 0.000 1.190 280 Y CB 1.416 39.812 38.460 -0.106 0.000 1.350 280 Y HN 0.415 nan 8.280 nan 0.000 0.525 281 I N -1.642 119.004 120.570 0.127 0.000 2.918 281 I HA 0.578 4.748 4.170 -0.000 0.000 0.301 281 I C -1.821 174.276 176.117 -0.034 0.000 1.312 281 I CA -1.150 60.156 61.300 0.010 0.000 1.007 281 I CB 2.615 40.568 38.000 -0.079 0.000 1.281 281 I HN 0.498 nan 8.210 nan 0.000 0.440 282 Q N 2.639 122.431 119.800 -0.012 0.000 2.337 282 Q HA 0.734 5.074 4.340 -0.000 0.000 0.266 282 Q C -1.440 174.641 176.000 0.136 0.000 1.023 282 Q CA -1.016 54.840 55.803 0.087 0.000 0.829 282 Q CB 3.416 32.303 28.738 0.248 0.000 1.306 282 Q HN 0.581 nan 8.270 nan 0.000 0.449 283 V N 3.035 123.000 119.914 0.084 0.000 2.555 283 V HA 0.538 4.658 4.120 -0.000 0.000 0.302 283 V C -0.559 175.573 176.094 0.063 0.000 1.038 283 V CA -0.673 61.629 62.300 0.003 0.000 0.887 283 V CB 1.800 33.424 31.823 -0.332 0.000 0.991 283 V HN 0.779 nan 8.190 nan 0.000 0.434 284 M N 4.722 124.298 119.600 -0.039 0.000 2.197 284 M HA 0.496 4.976 4.480 -0.000 0.000 0.301 284 M C 0.106 176.410 176.300 0.007 0.000 0.987 284 M CA -0.287 54.877 55.300 -0.227 0.000 0.921 284 M CB 1.997 33.931 32.600 -1.111 0.000 1.569 284 M HN 0.898 nan 8.290 nan 0.000 0.431 285 T N 1.065 115.664 114.554 0.075 0.000 2.788 285 T HA 0.279 4.628 4.350 -0.000 0.000 0.287 285 T C 0.747 175.590 174.700 0.238 0.000 1.007 285 T CA -0.365 61.834 62.100 0.165 0.000 1.005 285 T CB 0.491 69.436 68.868 0.128 0.000 1.012 285 T HN 0.541 nan 8.240 nan 0.000 0.530 286 F N 0.901 120.834 119.950 -0.028 0.000 2.171 286 F HA 0.030 4.557 4.527 -0.000 0.000 0.300 286 F C 2.446 178.274 175.800 0.046 0.000 1.090 286 F CA 0.854 58.869 58.000 0.025 0.000 1.293 286 F CB -1.199 37.787 39.000 -0.024 0.000 1.013 286 F HN 0.662 nan 8.300 nan 0.000 0.486 287 N N -0.277 118.551 118.700 0.214 0.000 2.058 287 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 287 N C 1.762 177.319 175.510 0.078 0.000 1.037 287 N CA 1.155 54.276 53.050 0.120 0.000 0.848 287 N CB -0.224 38.312 38.487 0.083 0.000 1.021 287 N HN 0.374 nan 8.380 nan 0.000 0.422 288 Q N 0.578 120.419 119.800 0.068 0.000 2.135 288 Q HA -0.135 4.205 4.340 -0.000 0.000 0.204 288 Q C 2.207 178.203 176.000 -0.008 0.000 0.981 288 Q CA 1.384 57.214 55.803 0.045 0.000 0.856 288 Q CB -0.144 28.636 28.738 0.071 0.000 0.902 288 Q HN 0.408 nan 8.270 nan 0.000 0.425 289 A N 1.372 124.160 122.820 -0.053 0.000 1.940 289 A HA -0.241 4.079 4.320 -0.000 0.000 0.219 289 A C 1.719 179.265 177.584 -0.064 0.000 1.176 289 A CA 1.589 53.536 52.037 -0.150 0.000 0.631 289 A CB -0.389 18.554 19.000 -0.096 0.000 0.814 289 A HN 0.348 nan 8.150 nan 0.000 0.446 290 E N -0.730 119.475 120.200 0.008 0.000 2.478 290 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 290 E C 1.175 177.788 176.600 0.022 0.000 1.046 290 E CA 1.176 57.589 56.400 0.023 0.000 0.870 290 E CB -0.059 29.668 29.700 0.045 0.000 0.818 290 E HN 0.821 nan 8.360 nan 0.000 0.527 291 T N -1.784 112.790 114.554 0.035 0.000 3.084 291 T HA 0.126 4.476 4.350 -0.000 0.000 0.270 291 T C 0.136 174.873 174.700 0.063 0.000 1.008 291 T CA -0.566 61.552 62.100 0.030 0.000 0.900 291 T CB -0.165 68.718 68.868 0.025 0.000 1.084 291 T HN -0.071 nan 8.240 nan 0.000 0.538 292 F N 4.002 123.882 119.950 -0.117 0.000 2.538 292 F HA 0.347 4.874 4.527 -0.000 0.000 0.371 292 F C -1.639 174.059 175.800 -0.171 0.000 1.087 292 F CA -2.540 55.380 58.000 -0.133 0.000 1.250 292 F CB 1.237 40.122 39.000 -0.192 0.000 1.110 292 F HN -0.076 nan 8.300 nan 0.000 0.570 293 P HA -0.084 nan 4.420 nan 0.000 0.226 293 P C -0.808 175.920 177.300 -0.953 0.000 1.146 293 P CA 1.471 64.065 63.100 -0.843 0.000 0.773 293 P CB 0.007 31.038 31.700 -1.115 0.000 0.772 294 F N -2.490 117.159 119.950 -0.503 0.000 2.764 294 F HA 0.378 4.905 4.527 -0.000 0.000 0.347 294 F C 0.621 176.437 175.800 0.027 0.000 1.151 294 F CA -1.606 56.261 58.000 -0.221 0.000 1.021 294 F CB -0.205 38.652 39.000 -0.238 0.000 1.438 294 F HN -0.478 nan 8.300 nan 0.000 0.516 295 N N 3.463 122.332 118.700 0.282 0.000 2.399 295 N HA 0.190 4.929 4.740 -0.000 0.000 0.259 295 N C -1.693 173.910 175.510 0.156 0.000 1.160 295 N CA -2.217 50.920 53.050 0.145 0.000 0.946 295 N CB 0.669 39.223 38.487 0.111 0.000 1.156 295 N HN 0.156 nan 8.380 nan 0.000 0.489 296 P HA -0.137 nan 4.420 nan 0.000 0.220 296 P C 0.008 177.140 177.300 -0.279 0.000 1.144 296 P CA 1.145 64.107 63.100 -0.231 0.000 0.800 296 P CB -0.061 31.148 31.700 -0.818 0.000 0.772 297 F N -0.214 119.742 119.950 0.010 0.000 2.660 297 F HA 0.259 4.786 4.527 -0.000 0.000 0.297 297 F C 0.743 176.525 175.800 -0.031 0.000 1.132 297 F CA -1.282 56.670 58.000 -0.081 0.000 1.372 297 F CB -0.807 38.105 39.000 -0.148 0.000 1.003 297 F HN -0.149 nan 8.300 nan 0.000 0.524 298 D N 1.047 121.513 120.400 0.111 0.000 2.313 298 D HA 0.078 4.718 4.640 -0.000 0.000 0.239 298 D C 1.041 177.345 176.300 0.008 0.000 1.142 298 D CA -0.174 53.869 54.000 0.072 0.000 0.847 298 D CB 1.186 42.025 40.800 0.064 0.000 1.082 298 D HN 0.115 nan 8.370 nan 0.000 0.480 299 L N 3.927 125.150 121.223 0.000 0.000 2.549 299 L HA -0.037 4.303 4.340 -0.000 0.000 0.229 299 L C 1.915 178.709 176.870 -0.126 0.000 1.158 299 L CA 1.619 56.411 54.840 -0.079 0.000 0.842 299 L CB -0.597 41.442 42.059 -0.032 0.000 0.952 299 L HN 0.626 nan 8.230 nan 0.000 0.452 300 T N -4.809 109.694 114.554 -0.086 0.000 3.086 300 T HA 0.179 4.529 4.350 -0.000 0.000 0.250 300 T C 0.735 175.410 174.700 -0.042 0.000 1.074 300 T CA -0.215 61.822 62.100 -0.105 0.000 0.988 300 T CB 0.150 68.979 68.868 -0.066 0.000 0.988 300 T HN -0.026 nan 8.240 nan 0.000 0.530 301 K N 1.383 121.734 120.400 -0.081 0.000 2.238 301 K HA 0.732 5.052 4.320 -0.000 0.000 0.239 301 K C -0.535 176.046 176.600 -0.032 0.000 0.987 301 K CA -0.845 55.412 56.287 -0.050 0.000 0.857 301 K CB 2.258 34.731 32.500 -0.045 0.000 1.154 301 K HN 0.172 nan 8.250 nan 0.000 0.439 302 V N -2.476 117.495 119.914 0.094 0.000 3.074 302 V HA 0.666 4.786 4.120 -0.000 0.000 0.314 302 V C -1.420 174.931 176.094 0.428 0.000 1.117 302 V CA -0.968 61.382 62.300 0.082 0.000 1.014 302 V CB 1.614 33.458 31.823 0.034 0.000 1.057 302 V HN 0.587 nan 8.190 nan 0.000 0.438 303 W N 2.623 123.999 121.300 0.128 0.000 2.291 303 W HA 0.544 5.204 4.660 -0.000 0.000 0.312 303 W C -2.386 174.328 176.519 0.324 0.000 1.061 303 W CA -2.743 54.683 57.345 0.134 0.000 1.296 303 W CB 0.348 29.651 29.460 -0.263 0.000 1.223 303 W HN 0.448 nan 8.180 nan 0.000 0.421 304 P HA -0.093 nan 4.420 nan 0.000 0.261 304 P C 0.903 178.499 177.300 0.493 0.000 1.183 304 P CA 0.808 64.173 63.100 0.442 0.000 0.761 304 P CB 0.621 32.538 31.700 0.362 0.000 0.785 305 H N 1.931 121.131 119.070 0.218 0.000 2.460 305 H HA -0.181 4.375 4.556 -0.000 0.000 0.297 305 H C 1.406 176.795 175.328 0.102 0.000 1.103 305 H CA 1.139 57.270 56.048 0.138 0.000 1.292 305 H CB 0.103 29.899 29.762 0.057 0.000 1.376 305 H HN 0.393 nan 8.280 nan 0.000 0.531 306 K N 0.606 121.141 120.400 0.224 0.000 2.026 306 K HA -0.100 4.219 4.320 -0.000 0.000 0.208 306 K C 1.628 178.251 176.600 0.039 0.000 1.048 306 K CA 1.366 57.720 56.287 0.112 0.000 0.929 306 K CB -0.006 32.550 32.500 0.094 0.000 0.713 306 K HN 0.344 nan 8.250 nan 0.000 0.439 307 D N -1.191 119.231 120.400 0.036 0.000 2.323 307 D HA -0.030 4.610 4.640 -0.000 0.000 0.209 307 D C -0.303 175.613 176.300 -0.640 0.000 0.973 307 D CA 0.839 54.685 54.000 -0.256 0.000 0.874 307 D CB 0.355 41.029 40.800 -0.209 0.000 0.930 307 D HN 0.223 nan 8.370 nan 0.000 0.521 308 Y N 0.785 121.134 120.300 0.082 0.000 2.541 308 Y HA 0.241 4.791 4.550 -0.000 0.000 0.350 308 Y C -2.275 173.641 175.900 0.027 0.000 1.075 308 Y CA -2.247 55.882 58.100 0.047 0.000 1.302 308 Y CB 1.614 40.122 38.460 0.081 0.000 1.094 308 Y HN -0.171 nan 8.280 nan 0.000 0.579 309 P HA 0.031 nan 4.420 nan 0.000 0.268 309 P C -0.223 177.018 177.300 -0.098 0.000 1.205 309 P CA 0.069 63.156 63.100 -0.023 0.000 0.771 309 P CB 1.574 33.269 31.700 -0.009 0.000 0.858 310 L N 3.623 124.682 121.223 -0.274 0.000 2.410 310 L HA 0.170 4.510 4.340 -0.000 0.000 0.273 310 L C 0.782 177.595 176.870 -0.094 0.000 1.144 310 L CA -0.303 54.332 54.840 -0.342 0.000 0.863 310 L CB -0.078 41.536 42.059 -0.741 0.000 1.140 310 L HN 0.241 nan 8.230 nan 0.000 0.463 311 I N 5.957 126.541 120.570 0.025 0.000 2.304 311 I HA 0.276 4.445 4.170 -0.000 0.000 0.291 311 I C -1.872 174.365 176.117 0.200 0.000 1.018 311 I CA -2.633 58.729 61.300 0.104 0.000 1.260 311 I CB 1.004 39.043 38.000 0.064 0.000 1.390 311 I HN 0.310 nan 8.210 nan 0.000 0.475 312 P HA 0.141 nan 4.420 nan 0.000 0.271 312 P C 0.214 177.394 177.300 -0.200 0.000 1.216 312 P CA 0.116 63.121 63.100 -0.158 0.000 0.776 312 P CB 2.214 33.631 31.700 -0.472 0.000 0.881 313 V N 1.970 121.846 119.914 -0.063 0.000 3.161 313 V HA 0.397 4.517 4.120 -0.000 0.000 0.221 313 V C 1.144 177.416 176.094 0.297 0.000 1.296 313 V CA 1.369 63.780 62.300 0.185 0.000 1.306 313 V CB 0.066 32.109 31.823 0.366 0.000 1.171 313 V HN 0.812 nan 8.190 nan 0.000 0.513 314 G N -0.265 108.752 108.800 0.363 0.000 2.793 314 G HA2 0.597 4.557 3.960 -0.000 0.000 0.248 314 G HA3 0.597 4.557 3.960 -0.000 0.000 0.248 314 G C -1.553 173.482 174.900 0.225 0.000 1.198 314 G CA -0.191 45.062 45.100 0.256 0.000 0.865 314 G HN 0.202 nan 8.290 nan 0.000 0.534 315 K N -0.649 119.829 120.400 0.131 0.000 2.546 315 K HA 0.645 4.965 4.320 -0.000 0.000 0.264 315 K C -1.835 174.866 176.600 0.168 0.000 0.937 315 K CA -0.675 55.711 56.287 0.165 0.000 0.833 315 K CB 2.045 34.587 32.500 0.070 0.000 1.378 315 K HN 0.353 nan 8.250 nan 0.000 0.432 316 L N 3.407 124.768 121.223 0.231 0.000 2.341 316 L HA 0.610 4.950 4.340 -0.000 0.000 0.278 316 L C -1.034 175.884 176.870 0.079 0.000 1.005 316 L CA -1.175 53.751 54.840 0.143 0.000 0.818 316 L CB 2.000 44.184 42.059 0.208 0.000 1.259 316 L HN 0.310 nan 8.230 nan 0.000 0.418 317 V N 4.804 124.579 119.914 -0.232 0.000 2.531 317 V HA 0.423 4.543 4.120 -0.000 0.000 0.301 317 V C -0.277 175.741 176.094 -0.127 0.000 1.034 317 V CA -0.429 61.727 62.300 -0.241 0.000 0.865 317 V CB 2.285 33.683 31.823 -0.708 0.000 0.995 317 V HN 0.521 nan 8.190 nan 0.000 0.424 318 L N 5.313 126.590 121.223 0.090 0.000 2.277 318 L HA 0.511 4.851 4.340 -0.000 0.000 0.284 318 L C 0.873 177.764 176.870 0.035 0.000 1.028 318 L CA -0.090 54.809 54.840 0.099 0.000 0.835 318 L CB 0.895 43.092 42.059 0.229 0.000 1.215 318 L HN 0.900 nan 8.230 nan 0.000 0.425 319 N N 2.812 121.440 118.700 -0.120 0.000 2.177 319 N HA 0.119 4.859 4.740 -0.000 0.000 0.218 319 N C 0.300 175.663 175.510 -0.244 0.000 1.182 319 N CA -0.604 52.125 53.050 -0.535 0.000 0.882 319 N CB 1.029 38.972 38.487 -0.906 0.000 1.052 319 N HN 0.466 nan 8.380 nan 0.000 0.519 320 R N 0.849 121.350 120.500 0.002 0.000 2.574 320 R HA 0.299 4.639 4.340 -0.000 0.000 0.288 320 R C -1.647 174.765 176.300 0.186 0.000 1.004 320 R CA -0.454 55.690 56.100 0.074 0.000 0.895 320 R CB 1.624 31.963 30.300 0.066 0.000 1.191 320 R HN 0.061 nan 8.270 nan 0.000 0.444 321 N N 3.513 122.270 118.700 0.095 0.000 2.463 321 N HA 0.387 5.126 4.740 -0.000 0.000 0.270 321 N C -2.342 173.344 175.510 0.294 0.000 1.205 321 N CA -1.540 51.590 53.050 0.134 0.000 0.974 321 N CB 1.032 39.369 38.487 -0.250 0.000 1.197 321 N HN 0.431 nan 8.380 nan 0.000 0.504 322 P HA 0.032 nan 4.420 nan 0.000 0.274 322 P C 0.158 177.624 177.300 0.276 0.000 1.237 322 P CA -0.179 63.163 63.100 0.403 0.000 0.793 322 P CB 1.176 33.174 31.700 0.496 0.000 0.977 323 V N 0.114 120.116 119.914 0.147 0.000 2.685 323 V HA 0.064 4.184 4.120 -0.000 0.000 0.244 323 V C 1.170 177.361 176.094 0.161 0.000 1.054 323 V CA 1.190 63.568 62.300 0.131 0.000 1.076 323 V CB -0.687 31.160 31.823 0.041 0.000 0.725 323 V HN 0.693 nan 8.190 nan 0.000 0.467 324 N N -1.275 117.524 118.700 0.165 0.000 2.430 324 N HA 0.136 4.876 4.740 -0.000 0.000 0.290 324 N C 0.068 175.735 175.510 0.263 0.000 1.063 324 N CA -0.421 52.749 53.050 0.199 0.000 0.883 324 N CB 2.216 40.797 38.487 0.157 0.000 1.465 324 N HN 0.160 nan 8.380 nan 0.000 0.493 325 Y N 4.349 124.756 120.300 0.178 0.000 2.163 325 Y HA -0.154 4.396 4.550 -0.000 0.000 0.288 325 Y C 1.748 177.757 175.900 0.182 0.000 1.136 325 Y CA 1.619 59.830 58.100 0.185 0.000 1.147 325 Y CB -0.139 38.419 38.460 0.164 0.000 0.987 325 Y HN 0.653 nan 8.280 nan 0.000 0.509 326 F N 0.467 120.578 119.950 0.268 0.000 2.095 326 F HA -0.232 4.295 4.527 -0.000 0.000 0.298 326 F C 2.341 178.167 175.800 0.044 0.000 1.104 326 F CA 1.795 59.885 58.000 0.150 0.000 1.232 326 F CB -0.883 38.205 39.000 0.147 0.000 0.987 326 F HN 0.102 nan 8.300 nan 0.000 0.475 327 A N -0.371 122.518 122.820 0.116 0.000 1.898 327 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 327 A C 2.049 179.591 177.584 -0.070 0.000 1.181 327 A CA 1.897 53.939 52.037 0.008 0.000 0.620 327 A CB -0.683 18.371 19.000 0.089 0.000 0.819 327 A HN 0.552 nan 8.150 nan 0.000 0.442 328 E N -1.266 118.925 120.200 -0.016 0.000 2.415 328 E HA 0.106 4.455 4.350 -0.000 0.000 0.197 328 E C 1.442 178.049 176.600 0.011 0.000 1.007 328 E CA 0.617 57.056 56.400 0.065 0.000 0.890 328 E CB 0.451 30.268 29.700 0.194 0.000 0.891 328 E HN 0.424 nan 8.360 nan 0.000 0.496 329 V N -0.004 119.763 119.914 -0.245 0.000 2.950 329 V HA -0.037 4.083 4.120 -0.000 0.000 0.231 329 V C 1.972 177.799 176.094 -0.444 0.000 1.205 329 V CA 0.667 62.700 62.300 -0.445 0.000 1.239 329 V CB -0.043 31.201 31.823 -0.964 0.000 1.050 329 V HN 0.003 nan 8.190 nan 0.000 0.498 330 E N 0.958 120.837 120.200 -0.535 0.000 2.110 330 E HA -0.218 4.132 4.350 -0.000 0.000 0.193 330 E C 2.082 178.473 176.600 -0.349 0.000 0.988 330 E CA 1.595 57.808 56.400 -0.311 0.000 0.804 330 E CB -0.166 29.434 29.700 -0.166 0.000 0.745 330 E HN 0.608 nan 8.360 nan 0.000 0.458 331 Q N -0.375 119.140 119.800 -0.474 0.000 2.403 331 Q HA 0.144 4.484 4.340 -0.000 0.000 0.203 331 Q C 0.297 176.144 176.000 -0.255 0.000 0.932 331 Q CA -0.249 55.324 55.803 -0.383 0.000 0.945 331 Q CB 0.203 28.686 28.738 -0.426 0.000 1.045 331 Q HN 0.361 nan 8.270 nan 0.000 0.511 332 I N 0.851 121.273 120.570 -0.246 0.000 2.634 332 I HA 0.141 4.311 4.170 -0.000 0.000 0.284 332 I C -0.740 175.168 176.117 -0.348 0.000 1.124 332 I CA -0.189 60.930 61.300 -0.301 0.000 1.417 332 I CB 0.663 38.467 38.000 -0.326 0.000 1.396 332 I HN -0.069 nan 8.210 nan 0.000 0.571 333 A N 7.481 129.994 122.820 -0.511 0.000 2.359 333 A HA 0.691 5.011 4.320 -0.000 0.000 0.303 333 A C -1.401 175.879 177.584 -0.508 0.000 1.066 333 A CA -0.400 51.283 52.037 -0.589 0.000 0.730 333 A CB 0.602 19.061 19.000 -0.903 0.000 1.211 333 A HN 0.577 nan 8.150 nan 0.000 0.439 334 F N 1.561 121.510 119.950 -0.003 0.000 2.458 334 F HA 0.445 4.972 4.527 -0.000 0.000 0.336 334 F C -0.244 175.651 175.800 0.158 0.000 1.114 334 F CA -0.475 57.528 58.000 0.005 0.000 0.987 334 F CB 2.188 41.123 39.000 -0.107 0.000 1.130 334 F HN 0.441 nan 8.300 nan 0.000 0.458 335 D N 5.193 125.711 120.400 0.197 0.000 2.440 335 D HA 0.228 4.868 4.640 -0.000 0.000 0.239 335 D C -2.051 174.202 176.300 -0.079 0.000 1.084 335 D CA -1.463 52.590 54.000 0.089 0.000 0.843 335 D CB 2.065 42.985 40.800 0.201 0.000 1.097 335 D HN 0.163 nan 8.370 nan 0.000 0.531 336 P HA -0.182 nan 4.420 nan 0.000 0.217 336 P C 1.440 178.743 177.300 0.005 0.000 1.148 336 P CA 1.188 64.188 63.100 -0.168 0.000 0.828 336 P CB 0.230 31.754 31.700 -0.294 0.000 0.783 337 S N -2.623 113.081 115.700 0.006 0.000 2.547 337 S HA -0.045 4.425 4.470 -0.000 0.000 0.235 337 S C 0.942 175.587 174.600 0.076 0.000 0.980 337 S CA 0.374 58.610 58.200 0.060 0.000 0.941 337 S CB -1.080 62.162 63.200 0.071 0.000 0.763 337 S HN 0.048 nan 8.310 nan 0.000 0.532 338 N N 2.239 120.983 118.700 0.073 0.000 2.555 338 N HA 0.423 5.163 4.740 -0.000 0.000 0.244 338 N C -1.010 174.585 175.510 0.141 0.000 1.114 338 N CA 0.440 53.535 53.050 0.075 0.000 0.963 338 N CB 0.255 38.767 38.487 0.042 0.000 1.276 338 N HN 0.517 nan 8.380 nan 0.000 0.510 339 M N 2.704 122.360 119.600 0.094 0.000 2.263 339 M HA 0.424 4.904 4.480 -0.000 0.000 0.295 339 M C -2.402 173.859 176.300 -0.064 0.000 1.028 339 M CA -1.597 53.724 55.300 0.035 0.000 0.921 339 M CB 3.146 35.775 32.600 0.048 0.000 1.601 339 M HN 0.141 nan 8.290 nan 0.000 0.440 340 P HA 0.501 nan 4.420 nan 0.000 0.281 340 P C -2.874 174.326 177.300 -0.168 0.000 1.264 340 P CA -1.793 61.211 63.100 -0.161 0.000 0.824 340 P CB -0.155 31.422 31.700 -0.205 0.000 1.092 341 P HA 0.040 nan 4.420 nan 0.000 0.263 341 P C 0.999 178.245 177.300 -0.091 0.000 1.175 341 P CA 1.733 64.793 63.100 -0.067 0.000 0.761 341 P CB -0.258 31.416 31.700 -0.043 0.000 0.794 342 G N 2.416 111.190 108.800 -0.044 0.000 2.284 342 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 342 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 342 G C -0.028 174.859 174.900 -0.022 0.000 1.009 342 G CA -0.332 44.756 45.100 -0.021 0.000 0.625 342 G HN 0.491 nan 8.290 nan 0.000 0.501 343 I N 1.508 122.016 120.570 -0.103 0.000 2.436 343 I HA 0.651 4.821 4.170 -0.000 0.000 0.289 343 I C -0.232 175.895 176.117 0.017 0.000 1.010 343 I CA -0.669 60.582 61.300 -0.081 0.000 1.098 343 I CB 1.881 39.640 38.000 -0.402 0.000 1.266 343 I HN 0.177 nan 8.210 nan 0.000 0.434 344 E N 3.445 123.733 120.200 0.147 0.000 2.458 344 E HA 0.718 5.068 4.350 -0.000 0.000 0.278 344 E C -1.099 175.666 176.600 0.275 0.000 1.004 344 E CA -1.088 55.418 56.400 0.176 0.000 0.823 344 E CB 2.180 31.965 29.700 0.140 0.000 1.396 344 E HN 0.617 nan 8.360 nan 0.000 0.463 345 A N 0.851 123.781 122.820 0.184 0.000 2.304 345 A HA 0.566 4.886 4.320 -0.000 0.000 0.271 345 A C 0.091 177.674 177.584 -0.002 0.000 1.091 345 A CA -0.265 51.815 52.037 0.073 0.000 0.812 345 A CB 0.632 19.621 19.000 -0.019 0.000 1.056 345 A HN 0.530 nan 8.150 nan 0.000 0.489 346 S N 0.449 116.038 115.700 -0.185 0.000 2.745 346 S HA 0.644 5.114 4.470 -0.000 0.000 0.292 346 S C -2.182 172.134 174.600 -0.473 0.000 1.133 346 S CA -1.114 56.893 58.200 -0.322 0.000 0.998 346 S CB 1.367 64.272 63.200 -0.491 0.000 1.087 346 S HN 0.512 nan 8.310 nan 0.000 0.551 347 P HA 0.066 nan 4.420 nan 0.000 0.252 347 P C -0.262 176.779 177.300 -0.432 0.000 1.265 347 P CA 0.039 62.811 63.100 -0.547 0.000 0.775 347 P CB -0.576 30.785 31.700 -0.565 0.000 1.128 348 D N 1.540 121.688 120.400 -0.420 0.000 2.479 348 D HA -0.066 4.574 4.640 -0.000 0.000 0.257 348 D C 1.160 177.374 176.300 -0.144 0.000 1.230 348 D CA 0.385 54.287 54.000 -0.164 0.000 0.912 348 D CB 0.739 41.457 40.800 -0.137 0.000 1.130 348 D HN 0.027 nan 8.370 nan 0.000 0.515 349 K N 3.494 123.861 120.400 -0.055 0.000 2.059 349 K HA -0.213 4.107 4.320 -0.000 0.000 0.212 349 K C 2.029 178.615 176.600 -0.022 0.000 1.050 349 K CA 1.222 57.491 56.287 -0.030 0.000 0.927 349 K CB -0.097 32.420 32.500 0.028 0.000 0.714 349 K HN 0.528 nan 8.250 nan 0.000 0.447 350 M N 0.449 120.064 119.600 0.025 0.000 2.065 350 M HA -0.159 4.321 4.480 -0.000 0.000 0.259 350 M C 2.424 178.672 176.300 -0.088 0.000 1.069 350 M CA 1.313 56.652 55.300 0.065 0.000 1.110 350 M CB -0.956 31.778 32.600 0.224 0.000 1.328 350 M HN 0.175 nan 8.290 nan 0.000 0.405 351 L N 0.863 121.852 121.223 -0.390 0.000 2.046 351 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 351 L C 2.487 179.157 176.870 -0.335 0.000 1.077 351 L CA 1.767 56.144 54.840 -0.773 0.000 0.747 351 L CB -0.740 40.614 42.059 -1.176 0.000 0.896 351 L HN 0.298 nan 8.230 nan 0.000 0.432 352 Q N -0.165 119.495 119.800 -0.233 0.000 2.135 352 Q HA -0.163 4.177 4.340 -0.000 0.000 0.204 352 Q C 2.106 178.079 176.000 -0.045 0.000 0.981 352 Q CA 1.652 57.378 55.803 -0.129 0.000 0.856 352 Q CB -0.792 27.875 28.738 -0.118 0.000 0.902 352 Q HN 0.706 nan 8.270 nan 0.000 0.425 353 G N 0.938 109.720 108.800 -0.030 0.000 2.404 353 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.215 353 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.215 353 G C 1.489 176.438 174.900 0.082 0.000 1.174 353 G CA 0.423 45.549 45.100 0.044 0.000 0.780 353 G HN 0.292 nan 8.290 nan 0.000 0.537 354 R N 0.023 120.537 120.500 0.022 0.000 2.193 354 R HA 0.103 4.443 4.340 -0.000 0.000 0.229 354 R C 2.436 178.813 176.300 0.129 0.000 1.110 354 R CA 0.431 56.607 56.100 0.127 0.000 0.988 354 R CB -0.420 29.933 30.300 0.088 0.000 0.871 354 R HN 0.324 nan 8.270 nan 0.000 0.458 355 L N -0.305 120.952 121.223 0.056 0.000 2.261 355 L HA -0.188 4.151 4.340 -0.000 0.000 0.216 355 L C 2.021 178.991 176.870 0.166 0.000 1.114 355 L CA 1.118 56.003 54.840 0.076 0.000 0.777 355 L CB -0.263 41.827 42.059 0.052 0.000 0.910 355 L HN 0.203 nan 8.230 nan 0.000 0.440 356 F N -0.136 119.837 119.950 0.038 0.000 2.453 356 F HA 0.223 4.750 4.527 -0.000 0.000 0.284 356 F C 2.364 178.182 175.800 0.031 0.000 1.065 356 F CA 0.493 58.514 58.000 0.034 0.000 1.411 356 F CB -0.299 38.707 39.000 0.009 0.000 1.131 356 F HN -0.099 nan 8.300 nan 0.000 0.582 357 A N 0.563 123.218 122.820 -0.275 0.000 1.873 357 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 357 A C 2.021 179.292 177.584 -0.522 0.000 1.193 357 A CA 2.285 54.032 52.037 -0.484 0.000 0.629 357 A CB -1.641 17.160 19.000 -0.332 0.000 0.826 357 A HN 0.537 nan 8.150 nan 0.000 0.447 358 Y N -0.067 119.995 120.300 -0.396 0.000 2.070 358 Y HA -0.097 4.453 4.550 -0.000 0.000 0.279 358 Y C 0.017 175.591 175.900 -0.543 0.000 1.134 358 Y CA 1.945 59.733 58.100 -0.519 0.000 1.113 358 Y CB -1.969 36.312 38.460 -0.298 0.000 0.981 358 Y HN 0.261 nan 8.280 nan 0.000 0.487 359 P HA -0.156 nan 4.420 nan 0.000 0.217 359 P C 0.958 178.178 177.300 -0.133 0.000 1.148 359 P CA 2.190 65.328 63.100 0.063 0.000 0.828 359 P CB -0.022 31.768 31.700 0.150 0.000 0.783 360 D N -1.670 118.530 120.400 -0.335 0.000 2.084 360 D HA -0.154 4.485 4.640 -0.000 0.000 0.194 360 D C 2.060 178.189 176.300 -0.284 0.000 0.990 360 D CA 1.627 55.401 54.000 -0.377 0.000 0.826 360 D CB -0.826 39.464 40.800 -0.850 0.000 0.971 360 D HN -0.045 nan 8.370 nan 0.000 0.453 361 T N -1.733 112.590 114.554 -0.386 0.000 2.788 361 T HA -0.149 4.201 4.350 -0.000 0.000 0.268 361 T C 1.584 176.153 174.700 -0.218 0.000 1.044 361 T CA 1.583 63.512 62.100 -0.286 0.000 1.139 361 T CB -0.457 68.183 68.868 -0.381 0.000 0.867 361 T HN 0.339 nan 8.240 nan 0.000 0.454 362 H N 0.110 118.975 119.070 -0.342 0.000 2.387 362 H HA 0.021 4.577 4.556 -0.000 0.000 0.299 362 H C 2.665 177.659 175.328 -0.558 0.000 1.099 362 H CA 1.166 56.844 56.048 -0.617 0.000 1.315 362 H CB 0.090 29.109 29.762 -1.239 0.000 1.380 362 H HN 0.254 nan 8.280 nan 0.000 0.513 363 R N -0.569 119.798 120.500 -0.222 0.000 2.120 363 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 363 R C 2.077 178.378 176.300 0.001 0.000 1.123 363 R CA 1.523 57.599 56.100 -0.039 0.000 0.975 363 R CB -0.167 30.159 30.300 0.043 0.000 0.866 363 R HN 0.468 nan 8.270 nan 0.000 0.446 364 H N 0.502 119.516 119.070 -0.094 0.000 2.294 364 H HA 0.036 4.592 4.556 -0.000 0.000 0.306 364 H C 2.177 177.473 175.328 -0.052 0.000 1.065 364 H CA 1.587 57.598 56.048 -0.062 0.000 1.343 364 H CB 0.078 29.797 29.762 -0.071 0.000 1.396 364 H HN -0.065 nan 8.280 nan 0.000 0.506 365 R N -0.331 120.066 120.500 -0.172 0.000 2.073 365 R HA -0.075 4.265 4.340 -0.000 0.000 0.234 365 R C 1.907 178.116 176.300 -0.151 0.000 1.134 365 R CA 2.104 58.091 56.100 -0.189 0.000 0.952 365 R CB -0.087 30.186 30.300 -0.044 0.000 0.850 365 R HN 0.419 nan 8.270 nan 0.000 0.433 366 L N -2.053 119.096 121.223 -0.123 0.000 2.347 366 L HA 0.383 4.723 4.340 -0.000 0.000 0.196 366 L C 0.875 177.734 176.870 -0.019 0.000 1.072 366 L CA 0.293 55.094 54.840 -0.066 0.000 0.817 366 L CB 0.345 42.376 42.059 -0.048 0.000 1.029 366 L HN 0.448 nan 8.230 nan 0.000 0.478 367 G N -1.715 107.089 108.800 0.007 0.000 2.345 367 G HA2 0.064 4.024 3.960 -0.000 0.000 0.310 367 G HA3 0.064 4.024 3.960 -0.000 0.000 0.310 367 G C -2.713 172.256 174.900 0.115 0.000 1.476 367 G CA -0.769 44.356 45.100 0.040 0.000 0.978 367 G HN -0.257 nan 8.290 nan 0.000 0.656 368 P HA -0.140 nan 4.420 nan 0.000 0.217 368 P C 1.072 178.401 177.300 0.049 0.000 1.162 368 P CA 1.388 64.538 63.100 0.083 0.000 0.901 368 P CB 0.130 31.852 31.700 0.037 0.000 0.793 369 N N -0.890 117.767 118.700 -0.071 0.000 2.466 369 N HA -0.000 4.739 4.740 -0.000 0.000 0.251 369 N C 0.898 176.234 175.510 -0.290 0.000 1.164 369 N CA -0.031 52.811 53.050 -0.346 0.000 0.888 369 N CB -0.610 37.585 38.487 -0.487 0.000 1.177 369 N HN 0.431 nan 8.380 nan 0.000 0.498 370 Y N -1.272 118.923 120.300 -0.175 0.000 2.569 370 Y HA 0.024 4.574 4.550 -0.000 0.000 0.293 370 Y C 1.536 177.357 175.900 -0.131 0.000 1.144 370 Y CA 0.560 58.580 58.100 -0.133 0.000 1.321 370 Y CB -0.323 38.068 38.460 -0.115 0.000 0.982 370 Y HN 0.043 nan 8.280 nan 0.000 0.558 371 L N -0.042 120.748 121.223 -0.722 0.000 2.552 371 L HA -0.073 4.266 4.340 -0.000 0.000 0.227 371 L C 1.637 178.450 176.870 -0.095 0.000 1.146 371 L CA 0.455 54.983 54.840 -0.520 0.000 0.858 371 L CB -0.472 41.274 42.059 -0.523 0.000 0.969 371 L HN 0.361 nan 8.230 nan 0.000 0.451 372 H N -0.456 118.527 119.070 -0.146 0.000 2.512 372 H HA 0.181 4.737 4.556 -0.000 0.000 0.279 372 H C 0.883 176.178 175.328 -0.055 0.000 0.999 372 H CA -0.246 55.755 56.048 -0.078 0.000 1.283 372 H CB -0.102 29.629 29.762 -0.051 0.000 1.421 372 H HN 0.142 nan 8.280 nan 0.000 0.554 373 I N 3.031 123.639 120.570 0.063 0.000 2.741 373 I HA -0.092 4.078 4.170 -0.000 0.000 0.288 373 I C -1.076 175.046 176.117 0.008 0.000 1.192 373 I CA -0.988 60.327 61.300 0.024 0.000 1.426 373 I CB 0.605 38.601 38.000 -0.007 0.000 1.367 373 I HN -0.003 nan 8.210 nan 0.000 0.563 374 P HA -0.278 nan 4.420 nan 0.000 0.221 374 P C 1.559 178.864 177.300 0.007 0.000 1.160 374 P CA 1.690 64.773 63.100 -0.027 0.000 0.933 374 P CB -0.056 31.603 31.700 -0.068 0.000 0.793 375 V N -3.983 115.936 119.914 0.008 0.000 3.241 375 V HA -0.046 4.074 4.120 -0.000 0.000 0.269 375 V C 1.488 177.656 176.094 0.122 0.000 1.151 375 V CA 1.826 64.184 62.300 0.096 0.000 1.158 375 V CB -1.185 30.687 31.823 0.082 0.000 0.764 375 V HN 0.066 nan 8.190 nan 0.000 0.508 376 N N -0.726 117.991 118.700 0.028 0.000 2.368 376 N HA 0.133 4.873 4.740 -0.000 0.000 0.178 376 N C 0.773 176.291 175.510 0.013 0.000 1.076 376 N CA 0.575 53.594 53.050 -0.051 0.000 0.889 376 N CB 0.019 38.433 38.487 -0.121 0.000 1.040 376 N HN 0.525 nan 8.380 nan 0.000 0.463 377 C N 4.607 123.957 119.300 0.083 0.000 2.596 377 C HA 0.095 4.555 4.460 -0.000 0.000 0.414 377 C C -1.816 173.292 174.990 0.197 0.000 1.396 377 C CA -0.942 58.138 59.018 0.104 0.000 1.698 377 C CB 0.065 27.863 27.740 0.096 0.000 2.572 377 C HN 0.266 nan 8.230 nan 0.000 0.604 378 P HA 0.114 nan 4.420 nan 0.000 0.225 378 P C -0.108 177.220 177.300 0.046 0.000 1.830 378 P CA 0.016 63.162 63.100 0.076 0.000 1.051 378 P CB -0.440 31.260 31.700 -0.000 0.000 1.929 379 Y N 1.394 121.728 120.300 0.056 0.000 2.497 379 Y HA 0.008 4.558 4.550 -0.000 0.000 0.292 379 Y C 1.593 177.477 175.900 -0.027 0.000 1.137 379 Y CA 0.596 58.678 58.100 -0.029 0.000 1.285 379 Y CB -0.595 37.801 38.460 -0.107 0.000 0.991 379 Y HN -0.062 nan 8.280 nan 0.000 0.556 380 R N 0.992 121.245 120.500 -0.411 0.000 2.317 380 R HA 0.431 4.771 4.340 -0.000 0.000 0.208 380 R C 0.368 176.605 176.300 -0.105 0.000 0.914 380 R CA 0.588 56.537 56.100 -0.252 0.000 1.060 380 R CB 0.030 30.127 30.300 -0.339 0.000 1.015 380 R HN 0.439 nan 8.270 nan 0.000 0.498 381 A N 1.103 123.876 122.820 -0.079 0.000 2.309 381 A HA 0.661 4.981 4.320 -0.000 0.000 0.317 381 A C -0.558 177.008 177.584 -0.030 0.000 1.134 381 A CA -0.641 51.368 52.037 -0.048 0.000 0.866 381 A CB 1.165 20.136 19.000 -0.047 0.000 1.329 381 A HN 0.050 nan 8.150 nan 0.000 0.477 382 R N 0.595 121.076 120.500 -0.032 0.000 2.335 382 R HA 0.474 4.814 4.340 -0.000 0.000 0.302 382 R C -1.718 174.556 176.300 -0.042 0.000 1.147 382 R CA -0.297 55.783 56.100 -0.033 0.000 1.111 382 R CB -0.117 30.164 30.300 -0.032 0.000 1.122 382 R HN 0.378 nan 8.270 nan 0.000 0.557 383 V N 3.548 123.437 119.914 -0.043 0.000 2.479 383 V HA 0.567 4.687 4.120 -0.000 0.000 0.281 383 V C 0.159 176.209 176.094 -0.073 0.000 1.031 383 V CA 0.361 62.631 62.300 -0.051 0.000 1.038 383 V CB 0.674 32.474 31.823 -0.039 0.000 0.981 383 V HN 0.840 nan 8.190 nan 0.000 0.478 384 A N 5.267 128.031 122.820 -0.093 0.000 2.437 384 A HA 0.864 5.184 4.320 -0.000 0.000 0.293 384 A C -0.475 176.992 177.584 -0.195 0.000 1.038 384 A CA -0.628 51.323 52.037 -0.143 0.000 0.708 384 A CB 1.540 20.460 19.000 -0.133 0.000 1.251 384 A HN 0.986 nan 8.150 nan 0.000 0.409 385 N N -0.244 118.285 118.700 -0.285 0.000 3.575 385 N HA 0.329 5.068 4.740 -0.000 0.000 0.343 385 N C -0.798 174.344 175.510 -0.614 0.000 1.574 385 N CA -0.526 52.310 53.050 -0.356 0.000 0.832 385 N CB 0.215 38.633 38.487 -0.114 0.000 2.151 385 N HN 0.247 nan 8.380 nan 0.000 0.552 386 Y N -0.545 119.718 120.300 -0.060 0.000 2.584 386 Y HA 0.423 4.973 4.550 -0.000 0.000 0.254 386 Y C -0.044 175.870 175.900 0.023 0.000 1.177 386 Y CA -0.426 57.668 58.100 -0.010 0.000 1.216 386 Y CB 0.374 38.839 38.460 0.007 0.000 1.172 386 Y HN 0.226 nan 8.280 nan 0.000 0.529 387 Q N 1.345 121.190 119.800 0.074 0.000 2.293 387 Q HA 0.469 4.808 4.340 -0.000 0.000 0.251 387 Q C -0.148 175.884 176.000 0.053 0.000 0.930 387 Q CA -0.331 55.514 55.803 0.071 0.000 0.893 387 Q CB 1.145 29.911 28.738 0.047 0.000 1.215 387 Q HN 0.103 nan 8.270 nan 0.000 0.425 388 R N 1.330 121.869 120.500 0.065 0.000 2.831 388 R HA 0.345 4.685 4.340 -0.000 0.000 0.266 388 R C -0.484 175.852 176.300 0.059 0.000 1.051 388 R CA -0.738 55.398 56.100 0.059 0.000 0.943 388 R CB 0.497 30.834 30.300 0.063 0.000 1.228 388 R HN 0.679 nan 8.270 nan 0.000 0.467 389 D N -0.021 120.413 120.400 0.057 0.000 3.215 389 D HA -0.210 4.430 4.640 -0.000 0.000 0.194 389 D C 0.534 176.863 176.300 0.049 0.000 1.369 389 D CA 2.341 56.373 54.000 0.053 0.000 1.068 389 D CB -1.034 39.794 40.800 0.046 0.000 0.604 389 D HN 0.895 nan 8.370 nan 0.000 0.683 390 G N -1.175 107.650 108.800 0.040 0.000 2.690 390 G HA2 0.140 4.100 3.960 -0.000 0.000 0.686 390 G HA3 0.140 4.100 3.960 -0.000 0.000 0.686 390 G C -2.725 172.193 174.900 0.031 0.000 1.277 390 G CA -0.288 44.830 45.100 0.031 0.000 0.799 390 G HN 0.581 nan 8.290 nan 0.000 0.613 391 P HA 0.319 nan 4.420 nan 0.000 0.269 391 P C 0.756 178.075 177.300 0.031 0.000 1.215 391 P CA 0.188 63.305 63.100 0.028 0.000 0.780 391 P CB 0.447 32.161 31.700 0.023 0.000 0.898 392 M N -1.752 117.872 119.600 0.040 0.000 2.206 392 M HA -0.161 4.319 4.480 -0.000 0.000 0.197 392 M C 0.008 176.364 176.300 0.092 0.000 0.375 392 M CA 0.122 55.455 55.300 0.056 0.000 0.410 392 M CB -2.842 29.788 32.600 0.050 0.000 1.204 392 M HN 0.442 nan 8.290 nan 0.000 0.932 393 C N 1.930 121.288 119.300 0.096 0.000 2.619 393 C HA 0.212 4.672 4.460 -0.000 0.000 0.389 393 C C 1.936 177.002 174.990 0.127 0.000 1.314 393 C CA -0.491 58.621 59.018 0.157 0.000 1.678 393 C CB -0.136 27.668 27.740 0.106 0.000 2.398 393 C HN 0.629 nan 8.230 nan 0.000 0.582 394 M N 3.063 122.769 119.600 0.176 0.000 2.325 394 M HA 0.068 4.548 4.480 -0.000 0.000 0.265 394 M C 1.481 177.737 176.300 -0.074 0.000 1.094 394 M CA 1.173 56.493 55.300 0.034 0.000 1.161 394 M CB -1.174 31.453 32.600 0.045 0.000 1.358 394 M HN 0.736 nan 8.290 nan 0.000 0.446 395 Q N 1.180 120.857 119.800 -0.205 0.000 2.447 395 Q HA -0.049 4.291 4.340 -0.000 0.000 0.180 395 Q C 1.073 177.014 176.000 -0.098 0.000 1.135 395 Q CA 0.688 56.378 55.803 -0.189 0.000 1.206 395 Q CB 0.203 28.764 28.738 -0.295 0.000 1.351 395 Q HN 0.342 nan 8.270 nan 0.000 0.646 396 D N -0.660 119.687 120.400 -0.088 0.000 2.363 396 D HA -0.106 4.534 4.640 -0.000 0.000 0.226 396 D C -0.285 175.990 176.300 -0.042 0.000 1.020 396 D CA 0.356 54.324 54.000 -0.055 0.000 0.892 396 D CB -0.249 40.519 40.800 -0.053 0.000 0.900 396 D HN 0.539 nan 8.370 nan 0.000 0.531 397 N N 1.100 119.771 118.700 -0.048 0.000 2.747 397 N HA -0.269 4.470 4.740 -0.000 0.000 0.249 397 N C -0.728 174.765 175.510 -0.028 0.000 1.107 397 N CA 1.082 54.121 53.050 -0.017 0.000 0.707 397 N CB -1.594 36.898 38.487 0.008 0.000 1.054 397 N HN 0.460 nan 8.380 nan 0.000 0.555 398 Q N -2.990 116.778 119.800 -0.052 0.000 2.481 398 Q HA -0.235 4.104 4.340 -0.000 0.000 0.272 398 Q C 1.219 177.190 176.000 -0.049 0.000 1.157 398 Q CA 1.101 56.867 55.803 -0.063 0.000 0.935 398 Q CB -1.879 26.809 28.738 -0.082 0.000 1.338 398 Q HN 0.905 nan 8.270 nan 0.000 0.494 399 G N -0.246 108.532 108.800 -0.037 0.000 2.684 399 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.332 399 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.332 399 G C 0.653 175.541 174.900 -0.019 0.000 1.306 399 G CA 0.619 45.703 45.100 -0.028 0.000 1.002 399 G HN 0.917 nan 8.290 nan 0.000 0.545 400 G N 0.492 109.279 108.800 -0.021 0.000 3.233 400 G HA2 0.623 4.583 3.960 -0.000 0.000 0.234 400 G HA3 0.623 4.583 3.960 -0.000 0.000 0.234 400 G C 0.811 175.701 174.900 -0.016 0.000 1.137 400 G CA 1.134 46.224 45.100 -0.016 0.000 0.763 400 G HN 1.774 nan 8.290 nan 0.000 0.549 401 A N 1.115 123.920 122.820 -0.025 0.000 2.586 401 A HA 0.412 4.732 4.320 -0.000 0.000 0.231 401 A C -1.939 175.649 177.584 0.007 0.000 1.055 401 A CA -0.464 51.556 52.037 -0.027 0.000 0.756 401 A CB -0.097 18.863 19.000 -0.068 0.000 0.988 401 A HN 0.189 nan 8.150 nan 0.000 0.509 402 P HA 0.045 nan 4.420 nan 0.000 0.263 402 P C 0.226 177.635 177.300 0.180 0.000 1.195 402 P CA 0.233 63.398 63.100 0.107 0.000 0.762 402 P CB 0.205 31.942 31.700 0.062 0.000 0.799 403 N N 2.257 121.142 118.700 0.308 0.000 2.268 403 N HA -0.011 4.729 4.740 -0.000 0.000 0.204 403 N C -0.470 175.390 175.510 0.583 0.000 1.124 403 N CA -0.481 52.800 53.050 0.384 0.000 0.838 403 N CB -0.138 38.500 38.487 0.252 0.000 0.994 403 N HN 0.393 nan 8.380 nan 0.000 0.489 404 Y N -1.898 118.624 120.300 0.370 0.000 2.499 404 Y HA 0.640 5.190 4.550 -0.000 0.000 0.347 404 Y C -1.590 174.240 175.900 -0.116 0.000 0.987 404 Y CA -1.990 56.183 58.100 0.122 0.000 1.044 404 Y CB 0.714 39.231 38.460 0.094 0.000 1.245 404 Y HN -0.072 nan 8.280 nan 0.000 0.461 405 Y N 5.118 125.095 120.300 -0.538 0.000 2.391 405 Y HA 0.702 5.252 4.550 -0.000 0.000 0.341 405 Y C -2.484 173.266 175.900 -0.250 0.000 0.965 405 Y CA -2.841 54.843 58.100 -0.692 0.000 1.067 405 Y CB 1.655 39.396 38.460 -1.198 0.000 1.199 405 Y HN 0.788 nan 8.280 nan 0.000 0.450 406 P HA 0.415 nan 4.420 nan 0.000 0.279 406 P C -1.807 175.339 177.300 -0.257 0.000 1.276 406 P CA -0.518 62.197 63.100 -0.642 0.000 0.801 406 P CB 1.650 32.978 31.700 -0.621 0.000 1.127 407 N N -3.014 115.557 118.700 -0.215 0.000 2.591 407 N HA 0.240 4.980 4.740 -0.000 0.000 0.263 407 N C -0.958 174.454 175.510 -0.163 0.000 1.308 407 N CA -0.875 52.066 53.050 -0.181 0.000 0.837 407 N CB 0.766 38.993 38.487 -0.434 0.000 1.548 407 N HN 0.057 nan 8.380 nan 0.000 0.493 408 S N 0.306 115.806 115.700 -0.332 0.000 2.582 408 S HA 0.288 4.758 4.470 -0.000 0.000 0.249 408 S C -0.770 173.379 174.600 -0.751 0.000 1.072 408 S CA -0.377 57.523 58.200 -0.501 0.000 1.115 408 S CB -0.987 61.879 63.200 -0.556 0.000 0.790 408 S HN 0.514 nan 8.310 nan 0.000 0.459 409 F N 0.384 120.339 119.950 0.009 0.000 2.791 409 F HA 0.385 4.912 4.527 -0.000 0.000 0.316 409 F C 1.564 177.376 175.800 0.020 0.000 1.134 409 F CA -0.418 57.594 58.000 0.019 0.000 1.222 409 F CB 0.314 39.329 39.000 0.026 0.000 1.034 409 F HN 0.304 nan 8.300 nan 0.000 0.516 410 G N 0.598 109.474 108.800 0.127 0.000 2.304 410 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.252 410 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.252 410 G C 0.872 175.837 174.900 0.108 0.000 1.014 410 G CA 0.011 45.173 45.100 0.104 0.000 0.619 410 G HN 0.734 nan 8.290 nan 0.000 0.525 411 A N 1.482 124.382 122.820 0.133 0.000 2.644 411 A HA 0.436 4.756 4.320 -0.000 0.000 0.230 411 A C -0.669 176.978 177.584 0.105 0.000 1.080 411 A CA 0.781 52.873 52.037 0.091 0.000 0.773 411 A CB -0.647 18.442 19.000 0.147 0.000 1.007 411 A HN 0.483 nan 8.150 nan 0.000 0.512 412 P HA -0.031 nan 4.420 nan 0.000 0.266 412 P C -0.277 177.053 177.300 0.050 0.000 1.162 412 P CA 0.886 63.957 63.100 -0.048 0.000 0.758 412 P CB 0.292 31.868 31.700 -0.208 0.000 0.774 413 E N 1.366 121.591 120.200 0.043 0.000 2.343 413 E HA 0.152 4.502 4.350 -0.000 0.000 0.270 413 E C -0.349 176.287 176.600 0.060 0.000 0.895 413 E CA -0.853 55.616 56.400 0.114 0.000 0.767 413 E CB 1.753 31.544 29.700 0.151 0.000 1.248 413 E HN 0.466 nan 8.360 nan 0.000 0.440 414 Q N 0.879 120.751 119.800 0.119 0.000 2.332 414 Q HA 0.114 4.454 4.340 -0.000 0.000 0.263 414 Q C -0.397 175.642 176.000 0.065 0.000 0.979 414 Q CA -0.235 55.616 55.803 0.080 0.000 0.885 414 Q CB 0.182 29.000 28.738 0.132 0.000 1.218 414 Q HN 0.343 nan 8.270 nan 0.000 0.405 415 Q N 1.430 121.253 119.800 0.037 0.000 2.372 415 Q HA 0.327 4.667 4.340 -0.000 0.000 0.259 415 Q C -2.345 173.671 176.000 0.027 0.000 0.993 415 Q CA -2.192 53.628 55.803 0.028 0.000 0.854 415 Q CB 1.389 30.136 28.738 0.015 0.000 1.231 415 Q HN 0.369 nan 8.270 nan 0.000 0.462 416 P HA -0.271 nan 4.420 nan 0.000 0.217 416 P C 1.107 178.417 177.300 0.016 0.000 1.148 416 P CA 1.898 65.012 63.100 0.023 0.000 0.834 416 P CB 0.178 31.889 31.700 0.019 0.000 0.783 417 S N -0.733 114.975 115.700 0.013 0.000 2.440 417 S HA -0.132 4.338 4.470 -0.000 0.000 0.238 417 S C 1.917 176.524 174.600 0.011 0.000 1.010 417 S CA 1.120 59.325 58.200 0.010 0.000 0.972 417 S CB -1.147 62.057 63.200 0.007 0.000 0.774 417 S HN 0.177 nan 8.310 nan 0.000 0.501 418 A N 0.518 123.345 122.820 0.012 0.000 2.238 418 A HA 0.445 4.765 4.320 -0.000 0.000 0.208 418 A C 0.745 178.341 177.584 0.021 0.000 1.177 418 A CA -0.323 51.721 52.037 0.011 0.000 0.804 418 A CB -0.411 18.593 19.000 0.007 0.000 0.823 418 A HN 0.464 nan 8.150 nan 0.000 0.482 419 L N 1.291 122.528 121.223 0.024 0.000 2.514 419 L HA 0.141 4.481 4.340 -0.000 0.000 0.280 419 L C -0.013 176.880 176.870 0.039 0.000 1.223 419 L CA 0.091 54.948 54.840 0.029 0.000 0.864 419 L CB 0.121 42.192 42.059 0.020 0.000 1.118 419 L HN 0.355 nan 8.230 nan 0.000 0.494 420 E N 3.223 123.453 120.200 0.051 0.000 2.392 420 E HA 0.108 4.458 4.350 -0.000 0.000 0.259 420 E C -0.243 176.413 176.600 0.093 0.000 1.108 420 E CA -0.014 56.435 56.400 0.082 0.000 0.916 420 E CB 0.119 29.872 29.700 0.089 0.000 0.989 420 E HN 0.465 nan 8.360 nan 0.000 0.432 421 H N 1.197 120.294 119.070 0.046 0.000 2.803 421 H HA 0.141 4.697 4.556 -0.000 0.000 0.330 421 H C -0.775 174.590 175.328 0.062 0.000 1.057 421 H CA -0.219 55.853 56.048 0.040 0.000 1.458 421 H CB 0.493 30.280 29.762 0.042 0.000 1.470 421 H HN 0.465 nan 8.280 nan 0.000 0.560 422 S N 6.194 121.656 115.700 -0.397 0.000 2.475 422 S HA 0.636 5.106 4.470 -0.000 0.000 0.298 422 S C 0.009 174.516 174.600 -0.156 0.000 1.119 422 S CA -0.876 57.235 58.200 -0.148 0.000 1.085 422 S CB 1.366 64.509 63.200 -0.094 0.000 1.028 422 S HN 0.561 nan 8.310 nan 0.000 0.489 423 I N 1.264 121.866 120.570 0.052 0.000 3.108 423 I HA 0.545 4.715 4.170 -0.000 0.000 0.312 423 I C -0.393 175.639 176.117 -0.142 0.000 1.095 423 I CA -0.979 60.311 61.300 -0.018 0.000 1.000 423 I CB 2.211 40.197 38.000 -0.024 0.000 1.229 423 I HN 0.659 nan 8.210 nan 0.000 0.454 424 Q N 1.632 121.269 119.800 -0.272 0.000 2.356 424 Q HA 0.494 4.833 4.340 -0.000 0.000 0.270 424 Q C -2.128 173.671 176.000 -0.334 0.000 1.058 424 Q CA -0.590 55.115 55.803 -0.164 0.000 0.802 424 Q CB 2.211 30.923 28.738 -0.044 0.000 1.303 424 Q HN 0.505 nan 8.270 nan 0.000 0.444 425 Y N 0.199 120.535 120.300 0.060 0.000 2.487 425 Y HA 0.491 5.041 4.550 -0.000 0.000 0.337 425 Y C 0.008 175.930 175.900 0.037 0.000 1.076 425 Y CA -0.717 57.411 58.100 0.047 0.000 1.115 425 Y CB 2.451 40.928 38.460 0.028 0.000 1.235 425 Y HN 0.484 nan 8.280 nan 0.000 0.468 426 S N 0.686 116.486 115.700 0.167 0.000 2.608 426 S HA 0.818 5.288 4.470 -0.000 0.000 0.291 426 S C -0.010 174.643 174.600 0.088 0.000 1.146 426 S CA -0.171 58.092 58.200 0.104 0.000 1.043 426 S CB 1.400 64.641 63.200 0.068 0.000 1.037 426 S HN 1.148 nan 8.310 nan 0.000 0.520 427 G N 1.847 110.704 108.800 0.095 0.000 2.497 427 G HA2 0.010 3.970 3.960 -0.000 0.000 0.686 427 G HA3 0.010 3.970 3.960 -0.000 0.000 0.686 427 G C -1.185 173.825 174.900 0.184 0.000 1.288 427 G CA -0.951 44.225 45.100 0.128 0.000 0.899 427 G HN 0.715 nan 8.290 nan 0.000 0.608 428 E N -1.142 119.226 120.200 0.280 0.000 2.280 428 E HA 0.599 4.949 4.350 -0.000 0.000 0.261 428 E C -0.188 176.566 176.600 0.257 0.000 1.088 428 E CA -1.009 55.517 56.400 0.211 0.000 0.915 428 E CB 1.786 31.567 29.700 0.136 0.000 1.141 428 E HN 0.436 nan 8.360 nan 0.000 0.433 429 V N 2.158 122.155 119.914 0.138 0.000 2.372 429 V HA 0.286 4.406 4.120 -0.000 0.000 0.261 429 V C 0.159 176.277 176.094 0.040 0.000 1.055 429 V CA 0.136 62.503 62.300 0.113 0.000 0.930 429 V CB -1.086 30.772 31.823 0.059 0.000 1.031 429 V HN 0.705 nan 8.190 nan 0.000 0.479 430 R N 3.678 124.191 120.500 0.023 0.000 2.855 430 R HA 0.594 4.934 4.340 -0.000 0.000 0.274 430 R C -1.174 175.019 176.300 -0.178 0.000 0.997 430 R CA -1.290 54.716 56.100 -0.157 0.000 0.856 430 R CB 1.326 31.418 30.300 -0.346 0.000 1.378 430 R HN 0.314 nan 8.270 nan 0.000 0.462 431 R N 0.363 120.722 120.500 -0.235 0.000 2.254 431 R HA 0.372 4.712 4.340 -0.000 0.000 0.318 431 R C -1.122 175.020 176.300 -0.264 0.000 1.031 431 R CA -0.243 55.783 56.100 -0.122 0.000 0.905 431 R CB 0.624 30.884 30.300 -0.068 0.000 1.050 431 R HN 0.280 nan 8.270 nan 0.000 0.456 432 F N 1.715 121.674 119.950 0.015 0.000 2.402 432 F HA 0.233 4.759 4.527 -0.000 0.000 0.355 432 F C 0.865 176.679 175.800 0.024 0.000 1.123 432 F CA -0.701 57.312 58.000 0.021 0.000 1.021 432 F CB 1.199 40.214 39.000 0.026 0.000 1.160 432 F HN 0.487 nan 8.300 nan 0.000 0.451 433 N N 1.266 120.053 118.700 0.144 0.000 2.454 433 N HA 0.041 4.781 4.740 -0.000 0.000 0.254 433 N C 0.598 176.180 175.510 0.120 0.000 1.228 433 N CA 0.493 53.605 53.050 0.103 0.000 0.900 433 N CB 0.695 39.219 38.487 0.061 0.000 1.089 433 N HN 0.802 nan 8.380 nan 0.000 0.449 434 T N -0.671 113.938 114.554 0.092 0.000 3.144 434 T HA 0.250 4.599 4.350 -0.000 0.000 0.290 434 T C 1.248 175.979 174.700 0.052 0.000 0.966 434 T CA 0.019 62.167 62.100 0.080 0.000 0.907 434 T CB 0.220 69.139 68.868 0.085 0.000 1.152 434 T HN 0.435 nan 8.240 nan 0.000 0.532 435 A N 2.609 125.454 122.820 0.042 0.000 2.076 435 A HA -0.026 4.294 4.320 -0.000 0.000 0.220 435 A C 1.903 179.492 177.584 0.008 0.000 1.160 435 A CA 1.125 53.172 52.037 0.017 0.000 0.653 435 A CB -0.482 18.523 19.000 0.008 0.000 0.801 435 A HN 0.539 nan 8.150 nan 0.000 0.455 436 N N 0.615 119.328 118.700 0.022 0.000 2.238 436 N HA 0.070 4.810 4.740 -0.000 0.000 0.222 436 N C -0.789 174.737 175.510 0.026 0.000 1.133 436 N CA -0.061 53.000 53.050 0.018 0.000 0.854 436 N CB 0.172 38.672 38.487 0.021 0.000 1.041 436 N HN 0.395 nan 8.380 nan 0.000 0.510 437 D N 0.740 121.159 120.400 0.033 0.000 2.384 437 D HA -0.023 4.617 4.640 -0.000 0.000 0.244 437 D C 0.323 176.643 176.300 0.034 0.000 1.251 437 D CA 0.124 54.152 54.000 0.046 0.000 0.961 437 D CB 0.708 41.540 40.800 0.054 0.000 1.116 437 D HN 0.003 nan 8.370 nan 0.000 0.484 438 D N 0.176 120.614 120.400 0.063 0.000 2.531 438 D HA -0.064 4.576 4.640 -0.000 0.000 0.239 438 D C 0.270 176.549 176.300 -0.035 0.000 1.144 438 D CA 0.309 54.339 54.000 0.049 0.000 0.869 438 D CB 0.416 41.317 40.800 0.168 0.000 1.160 438 D HN 0.165 nan 8.370 nan 0.000 0.484 439 N N 2.407 121.082 118.700 -0.041 0.000 2.210 439 N HA -0.017 4.722 4.740 -0.000 0.000 0.203 439 N C 1.275 176.733 175.510 -0.087 0.000 1.175 439 N CA 0.285 53.290 53.050 -0.075 0.000 0.894 439 N CB 0.940 39.387 38.487 -0.068 0.000 1.041 439 N HN 0.411 nan 8.380 nan 0.000 0.506 440 V N -3.037 116.843 119.914 -0.056 0.000 3.359 440 V HA 0.190 4.310 4.120 -0.000 0.000 0.245 440 V C 1.937 178.015 176.094 -0.026 0.000 1.247 440 V CA 0.551 62.832 62.300 -0.031 0.000 1.145 440 V CB -0.401 31.428 31.823 0.009 0.000 0.906 440 V HN -0.108 nan 8.190 nan 0.000 0.464 441 T N 1.156 115.707 114.554 -0.004 0.000 2.505 441 T HA -0.318 4.032 4.350 -0.000 0.000 0.259 441 T C 1.941 176.631 174.700 -0.016 0.000 1.158 441 T CA 2.828 64.958 62.100 0.050 0.000 1.190 441 T CB -0.603 68.386 68.868 0.202 0.000 0.864 441 T HN 0.584 nan 8.240 nan 0.000 0.413 442 Q N 0.281 119.970 119.800 -0.186 0.000 2.197 442 Q HA -0.103 4.237 4.340 -0.000 0.000 0.207 442 Q C 2.614 178.417 176.000 -0.327 0.000 0.984 442 Q CA 1.222 56.852 55.803 -0.288 0.000 0.869 442 Q CB -0.548 27.858 28.738 -0.553 0.000 0.906 442 Q HN 0.423 nan 8.270 nan 0.000 0.426 443 V N 0.703 120.404 119.914 -0.356 0.000 2.358 443 V HA -0.261 3.859 4.120 -0.000 0.000 0.246 443 V C 2.343 178.543 176.094 0.177 0.000 1.047 443 V CA 1.950 64.185 62.300 -0.108 0.000 1.035 443 V CB -0.657 31.162 31.823 -0.008 0.000 0.658 443 V HN 0.319 nan 8.190 nan 0.000 0.452 444 R N 0.401 120.994 120.500 0.154 0.000 2.091 444 R HA -0.190 4.150 4.340 -0.000 0.000 0.238 444 R C 2.330 178.764 176.300 0.224 0.000 1.136 444 R CA 1.694 57.940 56.100 0.244 0.000 0.959 444 R CB -0.489 29.923 30.300 0.186 0.000 0.856 444 R HN 0.486 nan 8.270 nan 0.000 0.437 445 A N 0.780 123.696 122.820 0.160 0.000 1.859 445 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 445 A C 2.014 179.708 177.584 0.184 0.000 1.198 445 A CA 1.629 53.754 52.037 0.147 0.000 0.629 445 A CB -1.025 18.055 19.000 0.133 0.000 0.830 445 A HN 0.541 nan 8.150 nan 0.000 0.446 446 F N -0.894 119.111 119.950 0.092 0.000 2.091 446 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 446 F C 2.194 178.063 175.800 0.114 0.000 1.103 446 F CA 2.058 60.132 58.000 0.123 0.000 1.228 446 F CB -0.755 38.362 39.000 0.196 0.000 0.984 446 F HN 0.408 nan 8.300 nan 0.000 0.477 447 Y N -0.721 119.570 120.300 -0.014 0.000 2.181 447 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 447 Y C 2.433 178.188 175.900 -0.241 0.000 1.146 447 Y CA 1.938 59.895 58.100 -0.238 0.000 1.164 447 Y CB -0.347 37.994 38.460 -0.198 0.000 0.982 447 Y HN 0.050 nan 8.280 nan 0.000 0.515 448 V N -0.085 119.733 119.914 -0.160 0.000 2.403 448 V HA -0.150 3.970 4.120 -0.000 0.000 0.239 448 V C 1.427 177.419 176.094 -0.170 0.000 1.041 448 V CA 2.004 64.167 62.300 -0.228 0.000 1.051 448 V CB -0.467 31.343 31.823 -0.023 0.000 0.704 448 V HN 0.507 nan 8.190 nan 0.000 0.472 449 N N 0.059 118.714 118.700 -0.075 0.000 2.047 449 N HA -0.144 4.596 4.740 -0.000 0.000 0.193 449 N C 1.769 177.221 175.510 -0.096 0.000 1.055 449 N CA 1.793 54.809 53.050 -0.056 0.000 0.847 449 N CB -0.379 38.112 38.487 0.007 0.000 1.038 449 N HN 0.346 nan 8.380 nan 0.000 0.427 450 V N 2.152 122.009 119.914 -0.095 0.000 2.282 450 V HA -0.175 3.945 4.120 -0.000 0.000 0.249 450 V C 1.164 177.115 176.094 -0.239 0.000 1.057 450 V CA 1.332 63.555 62.300 -0.129 0.000 1.032 450 V CB -0.593 31.178 31.823 -0.085 0.000 0.645 450 V HN 0.218 nan 8.190 nan 0.000 0.447 451 L N 1.276 122.259 121.223 -0.400 0.000 2.350 451 L HA 0.329 4.669 4.340 -0.000 0.000 0.275 451 L C 0.234 176.936 176.870 -0.280 0.000 1.099 451 L CA -0.500 54.114 54.840 -0.377 0.000 0.808 451 L CB 0.764 42.515 42.059 -0.512 0.000 1.149 451 L HN 0.410 nan 8.230 nan 0.000 0.442 452 N N 0.293 118.869 118.700 -0.205 0.000 2.413 452 N HA 0.051 4.791 4.740 -0.000 0.000 0.266 452 N C 0.512 175.911 175.510 -0.185 0.000 1.238 452 N CA -0.679 52.271 53.050 -0.166 0.000 0.972 452 N CB 0.555 38.977 38.487 -0.110 0.000 1.210 452 N HN 0.518 nan 8.380 nan 0.000 0.547 453 E N -0.370 119.738 120.200 -0.152 0.000 2.070 453 E HA -0.238 4.112 4.350 -0.000 0.000 0.197 453 E C 1.177 177.716 176.600 -0.102 0.000 1.004 453 E CA 1.458 57.775 56.400 -0.139 0.000 0.805 453 E CB -0.178 29.464 29.700 -0.097 0.000 0.744 453 E HN 0.572 nan 8.360 nan 0.000 0.451 454 E N 0.302 120.454 120.200 -0.080 0.000 2.048 454 E HA -0.272 4.078 4.350 -0.000 0.000 0.202 454 E C 2.186 178.747 176.600 -0.064 0.000 1.021 454 E CA 1.603 57.969 56.400 -0.057 0.000 0.825 454 E CB -0.418 29.253 29.700 -0.049 0.000 0.756 454 E HN 0.404 nan 8.360 nan 0.000 0.454 455 Q N 0.234 119.980 119.800 -0.090 0.000 2.045 455 Q HA -0.157 4.182 4.340 -0.000 0.000 0.206 455 Q C 2.315 178.260 176.000 -0.092 0.000 0.991 455 Q CA 1.930 57.676 55.803 -0.094 0.000 0.851 455 Q CB -0.142 28.513 28.738 -0.139 0.000 0.911 455 Q HN 0.197 nan 8.270 nan 0.000 0.418 456 R N 0.367 120.782 120.500 -0.143 0.000 2.096 456 R HA -0.206 4.133 4.340 -0.000 0.000 0.240 456 R C 2.319 178.592 176.300 -0.045 0.000 1.139 456 R CA 1.628 57.671 56.100 -0.096 0.000 0.952 456 R CB -0.403 29.746 30.300 -0.251 0.000 0.854 456 R HN 0.192 nan 8.270 nan 0.000 0.436 457 K N 1.035 121.403 120.400 -0.052 0.000 2.063 457 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 457 K C 2.239 178.777 176.600 -0.104 0.000 1.048 457 K CA 1.488 57.724 56.287 -0.086 0.000 0.928 457 K CB -0.035 32.471 32.500 0.010 0.000 0.713 457 K HN -0.003 nan 8.250 nan 0.000 0.442 458 R N 0.317 120.790 120.500 -0.045 0.000 2.092 458 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 458 R C 2.351 178.661 176.300 0.016 0.000 1.119 458 R CA 1.119 57.212 56.100 -0.011 0.000 0.970 458 R CB -0.290 30.010 30.300 -0.001 0.000 0.864 458 R HN 0.204 nan 8.270 nan 0.000 0.440 459 L N 0.233 121.466 121.223 0.017 0.000 1.976 459 L HA -0.219 4.121 4.340 -0.000 0.000 0.209 459 L C 1.993 178.877 176.870 0.022 0.000 1.071 459 L CA 1.799 56.684 54.840 0.075 0.000 0.746 459 L CB -0.916 41.191 42.059 0.080 0.000 0.890 459 L HN 0.255 nan 8.230 nan 0.000 0.432 460 C N -0.030 119.225 119.300 -0.076 0.000 2.401 460 C HA -0.178 4.282 4.460 -0.000 0.000 0.276 460 C C 2.562 177.469 174.990 -0.139 0.000 1.233 460 C CA 1.110 60.025 59.018 -0.172 0.000 1.753 460 C CB -1.110 26.397 27.740 -0.390 0.000 2.029 460 C HN 0.610 nan 8.230 nan 0.000 0.478 461 E N 0.967 121.107 120.200 -0.100 0.000 2.051 461 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 461 E C 1.802 178.460 176.600 0.096 0.000 0.991 461 E CA 1.198 57.597 56.400 -0.001 0.000 0.799 461 E CB -0.265 29.438 29.700 0.005 0.000 0.748 461 E HN 0.617 nan 8.360 nan 0.000 0.449 462 N N 0.646 119.429 118.700 0.139 0.000 2.309 462 N HA -0.099 4.641 4.740 -0.000 0.000 0.182 462 N C 1.799 177.510 175.510 0.335 0.000 1.018 462 N CA 0.836 54.059 53.050 0.289 0.000 0.876 462 N CB -0.067 38.644 38.487 0.373 0.000 0.972 462 N HN 0.237 nan 8.380 nan 0.000 0.434 463 I N 0.711 121.307 120.570 0.043 0.000 2.206 463 I HA -0.132 4.038 4.170 -0.000 0.000 0.239 463 I C 2.345 178.359 176.117 -0.172 0.000 1.078 463 I CA 0.782 61.906 61.300 -0.292 0.000 1.367 463 I CB -0.471 37.239 38.000 -0.483 0.000 1.078 463 I HN 0.020 nan 8.210 nan 0.000 0.413 464 A N 1.301 124.053 122.820 -0.113 0.000 1.917 464 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 464 A C 2.406 179.969 177.584 -0.035 0.000 1.182 464 A CA 2.207 54.224 52.037 -0.032 0.000 0.633 464 A CB -1.621 17.462 19.000 0.137 0.000 0.819 464 A HN 0.504 nan 8.150 nan 0.000 0.448 465 G N -2.131 106.712 108.800 0.072 0.000 2.462 465 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 465 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 465 G C 1.602 176.451 174.900 -0.085 0.000 1.121 465 G CA 1.349 46.401 45.100 -0.081 0.000 0.758 465 G HN 0.733 nan 8.290 nan 0.000 0.559 466 H N -0.469 118.608 119.070 0.012 0.000 2.439 466 H HA 0.157 4.713 4.556 -0.000 0.000 0.299 466 H C 2.300 177.637 175.328 0.016 0.000 1.033 466 H CA 0.659 56.801 56.048 0.155 0.000 1.348 466 H CB 0.105 30.187 29.762 0.534 0.000 1.449 466 H HN 0.234 nan 8.280 nan 0.000 0.544 467 L N 2.472 123.593 121.223 -0.171 0.000 2.217 467 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 467 L C 2.140 178.713 176.870 -0.495 0.000 1.107 467 L CA 1.675 56.018 54.840 -0.829 0.000 0.783 467 L CB -0.458 40.794 42.059 -1.345 0.000 0.919 467 L HN 0.168 nan 8.230 nan 0.000 0.442 468 K N -1.544 118.634 120.400 -0.371 0.000 2.442 468 K HA -0.118 4.202 4.320 -0.000 0.000 0.199 468 K C 1.272 177.718 176.600 -0.257 0.000 1.044 468 K CA 1.637 57.739 56.287 -0.308 0.000 0.941 468 K CB -0.716 31.507 32.500 -0.461 0.000 0.759 468 K HN 0.325 nan 8.250 nan 0.000 0.472 469 D N 0.576 120.822 120.400 -0.257 0.000 2.333 469 D HA 0.116 4.755 4.640 -0.000 0.000 0.208 469 D C 0.365 176.585 176.300 -0.133 0.000 0.984 469 D CA 0.553 54.443 54.000 -0.184 0.000 0.873 469 D CB 0.199 40.883 40.800 -0.194 0.000 0.935 469 D HN 0.399 nan 8.370 nan 0.000 0.521 470 A N 0.686 123.415 122.820 -0.151 0.000 2.313 470 A HA 0.190 4.510 4.320 -0.000 0.000 0.261 470 A C 0.607 178.105 177.584 -0.143 0.000 1.090 470 A CA -0.297 51.673 52.037 -0.112 0.000 0.807 470 A CB 0.524 19.460 19.000 -0.106 0.000 1.055 470 A HN 0.006 nan 8.150 nan 0.000 0.492 471 Q N -0.536 119.166 119.800 -0.163 0.000 2.524 471 Q HA 0.126 4.466 4.340 -0.000 0.000 0.246 471 Q C 0.869 176.759 176.000 -0.182 0.000 1.063 471 Q CA 0.071 55.788 55.803 -0.142 0.000 0.945 471 Q CB 0.379 29.051 28.738 -0.110 0.000 1.292 471 Q HN 0.663 nan 8.270 nan 0.000 0.518 472 I N 0.600 121.143 120.570 -0.045 0.000 2.226 472 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 472 I C 1.889 178.011 176.117 0.008 0.000 1.100 472 I CA 1.178 62.470 61.300 -0.015 0.000 1.374 472 I CB -0.349 37.680 38.000 0.048 0.000 1.057 472 I HN 0.692 nan 8.210 nan 0.000 0.413 473 F N 0.813 120.766 119.950 0.005 0.000 2.171 473 F HA -0.111 4.416 4.527 -0.000 0.000 0.300 473 F C 2.150 177.961 175.800 0.018 0.000 1.090 473 F CA 1.231 59.236 58.000 0.010 0.000 1.293 473 F CB -1.004 38.003 39.000 0.012 0.000 1.013 473 F HN -0.085 nan 8.300 nan 0.000 0.486 474 I N 0.483 120.537 120.570 -0.860 0.000 2.315 474 I HA -0.232 3.938 4.170 -0.000 0.000 0.248 474 I C 2.551 178.540 176.117 -0.214 0.000 1.117 474 I CA 1.272 62.224 61.300 -0.580 0.000 1.404 474 I CB -0.586 37.041 38.000 -0.622 0.000 1.071 474 I HN 0.320 nan 8.210 nan 0.000 0.419 475 Q N 0.545 120.225 119.800 -0.201 0.000 2.050 475 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 475 Q C 2.270 178.230 176.000 -0.067 0.000 0.980 475 Q CA 1.203 56.919 55.803 -0.145 0.000 0.840 475 Q CB -0.006 28.652 28.738 -0.133 0.000 0.898 475 Q HN 0.314 nan 8.270 nan 0.000 0.424 476 K N 1.130 121.515 120.400 -0.024 0.000 2.001 476 K HA -0.210 4.110 4.320 -0.000 0.000 0.214 476 K C 1.932 178.538 176.600 0.009 0.000 1.050 476 K CA 1.384 57.678 56.287 0.013 0.000 0.934 476 K CB -0.454 32.078 32.500 0.052 0.000 0.718 476 K HN 0.122 nan 8.250 nan 0.000 0.443 477 K N 0.410 120.822 120.400 0.021 0.000 2.103 477 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 477 K C 2.083 178.664 176.600 -0.032 0.000 1.048 477 K CA 1.253 57.547 56.287 0.012 0.000 0.930 477 K CB -0.071 32.456 32.500 0.046 0.000 0.716 477 K HN 0.171 nan 8.250 nan 0.000 0.444 478 A N 0.430 123.236 122.820 -0.023 0.000 1.855 478 A HA -0.112 4.208 4.320 -0.000 0.000 0.215 478 A C 2.208 179.738 177.584 -0.089 0.000 1.191 478 A CA 1.628 53.633 52.037 -0.052 0.000 0.613 478 A CB -0.661 18.370 19.000 0.052 0.000 0.829 478 A HN 0.147 nan 8.150 nan 0.000 0.442 479 V N 0.351 120.281 119.914 0.026 0.000 2.343 479 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 479 V C 2.492 178.600 176.094 0.023 0.000 1.051 479 V CA 2.469 64.826 62.300 0.094 0.000 1.036 479 V CB -0.816 31.034 31.823 0.045 0.000 0.654 479 V HN 0.694 nan 8.190 nan 0.000 0.451 480 K N 0.872 121.261 120.400 -0.019 0.000 2.034 480 K HA -0.267 4.053 4.320 -0.000 0.000 0.214 480 K C 1.989 178.548 176.600 -0.067 0.000 1.051 480 K CA 2.354 58.624 56.287 -0.028 0.000 0.931 480 K CB -0.296 32.189 32.500 -0.026 0.000 0.715 480 K HN 0.512 nan 8.250 nan 0.000 0.446 481 N N -0.130 118.473 118.700 -0.161 0.000 2.084 481 N HA -0.145 4.595 4.740 -0.000 0.000 0.190 481 N C 1.728 177.078 175.510 -0.265 0.000 1.030 481 N CA 1.356 54.260 53.050 -0.243 0.000 0.849 481 N CB -0.530 37.733 38.487 -0.373 0.000 1.012 481 N HN 0.144 nan 8.380 nan 0.000 0.423 482 F N 1.699 121.513 119.950 -0.226 0.000 2.202 482 F HA -0.112 4.415 4.527 -0.000 0.000 0.301 482 F C 2.475 178.143 175.800 -0.220 0.000 1.082 482 F CA 0.882 58.620 58.000 -0.437 0.000 1.313 482 F CB -1.105 37.479 39.000 -0.693 0.000 1.024 482 F HN 0.028 nan 8.300 nan 0.000 0.495 483 T N -0.762 113.829 114.554 0.061 0.000 2.821 483 T HA -0.131 4.219 4.350 -0.000 0.000 0.267 483 T C 1.854 176.604 174.700 0.083 0.000 1.046 483 T CA 1.220 63.376 62.100 0.094 0.000 1.139 483 T CB -0.136 68.770 68.868 0.064 0.000 0.871 483 T HN 0.153 nan 8.240 nan 0.000 0.454 484 E N 0.941 121.158 120.200 0.029 0.000 2.118 484 E HA -0.086 4.264 4.350 -0.000 0.000 0.195 484 E C 2.395 179.032 176.600 0.061 0.000 0.992 484 E CA 0.745 57.157 56.400 0.021 0.000 0.804 484 E CB -0.546 29.142 29.700 -0.019 0.000 0.741 484 E HN 0.346 nan 8.360 nan 0.000 0.458 485 V N -0.121 119.857 119.914 0.106 0.000 2.379 485 V HA -0.102 4.018 4.120 -0.000 0.000 0.245 485 V C 0.945 177.224 176.094 0.307 0.000 1.044 485 V CA 1.230 63.650 62.300 0.199 0.000 1.036 485 V CB -0.276 31.727 31.823 0.300 0.000 0.664 485 V HN 0.302 nan 8.190 nan 0.000 0.453 486 H N -2.171 117.019 119.070 0.200 0.000 3.143 486 H HA 0.184 4.740 4.556 -0.000 0.000 0.303 486 H C -2.581 172.870 175.328 0.206 0.000 1.109 486 H CA -1.157 55.025 56.048 0.224 0.000 1.494 486 H CB 1.868 31.842 29.762 0.353 0.000 2.132 486 H HN -0.127 nan 8.280 nan 0.000 0.433 487 P HA -0.191 nan 4.420 nan 0.000 0.218 487 P C 0.824 178.347 177.300 0.370 0.000 1.154 487 P CA 1.901 65.185 63.100 0.307 0.000 0.872 487 P CB 0.486 32.295 31.700 0.182 0.000 0.790 488 D N -2.251 118.480 120.400 0.552 0.000 2.097 488 D HA -0.202 4.438 4.640 -0.000 0.000 0.195 488 D C 1.848 178.327 176.300 0.297 0.000 0.989 488 D CA 1.039 55.200 54.000 0.269 0.000 0.827 488 D CB -1.261 39.563 40.800 0.040 0.000 0.966 488 D HN 0.134 nan 8.370 nan 0.000 0.456 489 Y N 1.738 122.092 120.300 0.089 0.000 2.014 489 Y HA -0.211 4.339 4.550 -0.000 0.000 0.272 489 Y C 2.552 178.413 175.900 -0.064 0.000 1.164 489 Y CA 1.814 59.790 58.100 -0.206 0.000 1.114 489 Y CB -0.977 37.170 38.460 -0.522 0.000 0.961 489 Y HN 0.023 nan 8.280 nan 0.000 0.489 490 G N -1.178 107.718 108.800 0.159 0.000 2.418 490 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 490 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 490 G C 1.884 176.840 174.900 0.094 0.000 1.158 490 G CA 1.745 46.898 45.100 0.088 0.000 0.771 490 G HN 0.545 nan 8.290 nan 0.000 0.545 491 S N -0.598 115.180 115.700 0.130 0.000 2.383 491 S HA -0.129 4.341 4.470 -0.000 0.000 0.227 491 S C 1.985 176.664 174.600 0.132 0.000 1.026 491 S CA 1.457 59.719 58.200 0.104 0.000 0.981 491 S CB -0.795 62.459 63.200 0.091 0.000 0.818 491 S HN 0.634 nan 8.310 nan 0.000 0.472 492 H N 0.763 119.862 119.070 0.049 0.000 2.421 492 H HA 0.113 4.669 4.556 -0.000 0.000 0.298 492 H C 1.843 177.169 175.328 -0.002 0.000 1.087 492 H CA 1.379 57.445 56.048 0.030 0.000 1.330 492 H CB -0.075 29.721 29.762 0.058 0.000 1.388 492 H HN 0.410 nan 8.280 nan 0.000 0.526 493 I N 0.032 120.652 120.570 0.084 0.000 2.277 493 I HA -0.210 3.960 4.170 -0.000 0.000 0.243 493 I C 2.590 178.704 176.117 -0.004 0.000 1.094 493 I CA 0.852 62.124 61.300 -0.047 0.000 1.393 493 I CB -0.172 37.714 38.000 -0.191 0.000 1.078 493 I HN 0.261 nan 8.210 nan 0.000 0.417 494 Q N 1.477 121.288 119.800 0.018 0.000 2.096 494 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 494 Q C 2.188 178.205 176.000 0.028 0.000 0.982 494 Q CA 2.386 58.201 55.803 0.019 0.000 0.850 494 Q CB -0.421 28.334 28.738 0.028 0.000 0.901 494 Q HN 0.484 nan 8.270 nan 0.000 0.422 495 A N 0.165 123.013 122.820 0.047 0.000 1.892 495 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 495 A C 2.138 179.731 177.584 0.015 0.000 1.188 495 A CA 1.843 53.903 52.037 0.038 0.000 0.631 495 A CB -0.946 18.094 19.000 0.066 0.000 0.822 495 A HN 0.464 nan 8.150 nan 0.000 0.447 496 L N -0.835 120.402 121.223 0.023 0.000 2.005 496 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 496 L C 2.610 179.485 176.870 0.008 0.000 1.072 496 L CA 1.092 55.907 54.840 -0.042 0.000 0.744 496 L CB -0.684 41.365 42.059 -0.015 0.000 0.895 496 L HN 0.370 nan 8.230 nan 0.000 0.433 497 L N -0.143 121.129 121.223 0.082 0.000 2.051 497 L HA -0.300 4.040 4.340 -0.000 0.000 0.214 497 L C 2.402 179.326 176.870 0.091 0.000 1.076 497 L CA 1.365 56.278 54.840 0.122 0.000 0.758 497 L CB -0.890 41.182 42.059 0.022 0.000 0.890 497 L HN 0.379 nan 8.230 nan 0.000 0.433 498 D N 0.137 120.557 120.400 0.033 0.000 2.092 498 D HA -0.239 4.401 4.640 -0.000 0.000 0.193 498 D C 2.043 178.347 176.300 0.007 0.000 0.994 498 D CA 1.464 55.474 54.000 0.018 0.000 0.828 498 D CB -0.228 40.574 40.800 0.004 0.000 0.963 498 D HN 0.313 nan 8.370 nan 0.000 0.450 499 K N -0.119 120.254 120.400 -0.044 0.000 2.044 499 K HA -0.217 4.103 4.320 -0.000 0.000 0.210 499 K C 2.297 178.869 176.600 -0.046 0.000 1.049 499 K CA 1.183 57.417 56.287 -0.090 0.000 0.927 499 K CB -0.220 32.164 32.500 -0.194 0.000 0.713 499 K HN 0.058 nan 8.250 nan 0.000 0.443 500 Y N 1.472 121.760 120.300 -0.019 0.000 2.070 500 Y HA -0.207 4.342 4.550 -0.000 0.000 0.280 500 Y C 2.198 178.084 175.900 -0.024 0.000 1.148 500 Y CA 1.713 59.798 58.100 -0.024 0.000 1.125 500 Y CB -0.757 37.680 38.460 -0.037 0.000 0.975 500 Y HN 0.239 nan 8.280 nan 0.000 0.492 501 N N -0.326 118.466 118.700 0.155 0.000 2.348 501 N HA -0.140 4.600 4.740 -0.000 0.000 0.185 501 N C 1.764 177.304 175.510 0.049 0.000 1.019 501 N CA 1.106 54.199 53.050 0.072 0.000 0.880 501 N CB -0.476 38.037 38.487 0.043 0.000 0.965 501 N HN 0.417 nan 8.380 nan 0.000 0.437 502 A N 1.107 123.954 122.820 0.045 0.000 1.855 502 A HA -0.056 4.264 4.320 -0.000 0.000 0.213 502 A C 2.004 179.604 177.584 0.028 0.000 1.195 502 A CA 0.965 53.016 52.037 0.025 0.000 0.610 502 A CB -0.504 18.501 19.000 0.009 0.000 0.837 502 A HN 0.246 nan 8.150 nan 0.000 0.444 503 E N 0.803 121.025 120.200 0.037 0.000 2.086 503 E HA -0.225 4.125 4.350 -0.000 0.000 0.205 503 E C 0.565 177.188 176.600 0.039 0.000 1.027 503 E CA 1.479 57.903 56.400 0.039 0.000 0.830 503 E CB -0.371 29.369 29.700 0.068 0.000 0.751 503 E HN 0.587 nan 8.360 nan 0.000 0.456 504 K N 0.000 120.428 120.400 0.047 0.000 2.780 504 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 504 K CA 0.000 56.306 56.287 0.031 0.000 0.838 504 K CB 0.000 32.516 32.500 0.026 0.000 1.064 504 K HN 0.000 nan 8.250 nan 0.000 0.543