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 3f93_1_C DATA FIRST_RESID 5 DATA SEQUENCE QVNWPYVNTK LKRDPAVEAQ IEKLLAKMTI EQKVAQMIQP EIGYLTVEQM DATA SEQUENCE RKYGFGSYLN GGNTAPYGNK RADQATWLKY ADEMYLAAMD STLDGIAIPT DATA SEQUENCE VWGTDAMHGH SNVYGATLFP HNIGLGAARD TDLIKRIGQA TAKEVAATGI DATA SEQUENCE EWSFAPTVAV VRDDRWGRTY ESYSEDPDLV KRYAGEMVTG IQGDVGADFL DATA SEQUENCE KGSNRIATAK HFVGDGGTER GVDRGNTLID EKGLRDIHSA GYFSAINQGV DATA SEQUENCE QSVMASFNSW NGKRVHGDKH LLTDVLKNQL GFDGFVVSDW NAHKFVEGcD DATA SEQUENCE LEQcAQAINA GVDVIMVPEH FEAFYHNTVK QVKAGVIAES RINDAVRRFL DATA SEQUENCE RAKIRWGVFT KSKPSARPES QHPQWLGAAE HRTLAREAVR KSLVLLKNNE DATA SEQUENCE SILPIKASSR ILVAGKGANA INMQAGGWSV SWQGTDNTNS DFPNATSIFS DATA SEQUENCE GLQSQVTKAG GKITLSESGE YTSKPDVAIV VIGEEPYAEW FGDIELLEFQ DATA SEQUENCE HETKHALALL KQLKADNIPV VTVFLSGRPL WVNKELNASD AFVAAWLPGS DATA SEQUENCE EGEGVADVLL TNKQGKTQFD FTGKLSFSWP KYDDQFTLNL NDADYDPLFA DATA SEQUENCE YGYGLTYQDN INVPVLSEKT SPXXXXXXXS HPLFVRSLAK NMTWQLADTS DATA SEQUENCE TQKVLASGAS ATSGDKQSLL MQSVNLSYQE DGRGFNWRAQ AALSLSYLEP DATA SEQUENCE TPLDSKFSTG YLELKMRIDK APEQGANLQV McSESNcLRD IDFSSFSQLM DATA SEQUENCE ADKSWHTLAI PLHcXXXXXX XQPITDALRI TSQNLSLAIA DVALTIKPSD DATA SEQUENCE DSISLTcAKL 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 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 176.084 176.000 0.140 0.000 1.003 5 Q CA 0.000 55.886 55.803 0.139 0.000 1.022 5 Q CB 0.000 28.848 28.738 0.184 0.000 1.108 6 V N 2.690 122.727 119.914 0.204 0.000 2.448 6 V HA 0.640 4.760 4.120 -0.000 0.000 0.295 6 V C -1.079 175.157 176.094 0.236 0.000 1.025 6 V CA -0.508 61.892 62.300 0.167 0.000 0.859 6 V CB 1.659 33.601 31.823 0.198 0.000 0.988 6 V HN 0.447 nan 8.190 nan 0.000 0.431 7 N N 6.286 125.055 118.700 0.115 0.000 2.426 7 N HA 0.333 5.073 4.740 -0.000 0.000 0.257 7 N C -1.376 174.183 175.510 0.082 0.000 1.002 7 N CA -0.271 52.865 53.050 0.143 0.000 0.942 7 N CB 0.874 39.395 38.487 0.058 0.000 1.112 7 N HN 0.757 nan 8.380 nan 0.000 0.499 8 W N 5.157 126.474 121.300 0.029 0.000 2.390 8 W HA 0.426 5.086 4.660 -0.000 0.000 0.312 8 W C -1.594 174.907 176.519 -0.030 0.000 1.123 8 W CA -1.696 55.651 57.345 0.003 0.000 1.202 8 W CB 0.605 30.096 29.460 0.051 0.000 1.251 8 W HN 0.396 nan 8.180 nan 0.000 0.511 9 P HA -0.042 nan 4.420 nan 0.000 0.274 9 P C -1.149 176.211 177.300 0.100 0.000 1.231 9 P CA -0.260 62.838 63.100 -0.004 0.000 0.790 9 P CB 0.846 32.419 31.700 -0.212 0.000 0.951 10 Y N 2.540 122.840 120.300 -0.001 0.000 2.436 10 Y HA 0.182 4.732 4.550 -0.000 0.000 0.343 10 Y C 1.223 177.131 175.900 0.014 0.000 1.008 10 Y CA 0.089 58.202 58.100 0.021 0.000 1.241 10 Y CB 0.378 38.849 38.460 0.018 0.000 1.153 10 Y HN 0.164 nan 8.280 nan 0.000 0.521 11 V N 1.651 121.371 119.914 -0.323 0.000 3.523 11 V HA 0.157 4.277 4.120 -0.000 0.000 0.255 11 V C 0.817 176.735 176.094 -0.293 0.000 1.226 11 V CA 0.464 62.644 62.300 -0.200 0.000 1.092 11 V CB -0.031 31.780 31.823 -0.019 0.000 0.817 11 V HN 0.697 nan 8.190 nan 0.000 0.458 12 N N 2.837 121.172 118.700 -0.609 0.000 3.167 12 N HA 0.042 4.782 4.740 -0.000 0.000 0.318 12 N C 1.229 176.572 175.510 -0.278 0.000 1.268 12 N CA 0.938 53.739 53.050 -0.415 0.000 1.197 12 N CB -0.340 37.929 38.487 -0.364 0.000 1.464 12 N HN 0.775 nan 8.380 nan 0.000 0.555 13 T N -3.362 111.111 114.554 -0.135 0.000 3.057 13 T HA 0.116 4.466 4.350 -0.000 0.000 0.254 13 T C 1.662 176.363 174.700 0.001 0.000 1.094 13 T CA 0.411 62.522 62.100 0.018 0.000 1.088 13 T CB 0.424 69.318 68.868 0.043 0.000 0.934 13 T HN 0.123 nan 8.240 nan 0.000 0.497 14 K N 0.086 120.464 120.400 -0.037 0.000 2.102 14 K HA 0.340 4.660 4.320 -0.000 0.000 0.206 14 K C 0.537 177.082 176.600 -0.092 0.000 1.031 14 K CA -0.164 56.092 56.287 -0.052 0.000 0.962 14 K CB -0.209 32.261 32.500 -0.051 0.000 0.811 14 K HN 0.240 nan 8.250 nan 0.000 0.453 15 L N 2.414 123.559 121.223 -0.130 0.000 2.410 15 L HA 0.138 4.478 4.340 -0.000 0.000 0.273 15 L C -1.022 175.779 176.870 -0.116 0.000 1.144 15 L CA 0.475 55.192 54.840 -0.204 0.000 0.863 15 L CB 0.528 42.436 42.059 -0.253 0.000 1.140 15 L HN 0.020 nan 8.230 nan 0.000 0.463 16 K N 5.125 125.455 120.400 -0.117 0.000 2.267 16 K HA 0.466 4.786 4.320 -0.000 0.000 0.246 16 K C -0.407 176.163 176.600 -0.051 0.000 0.954 16 K CA -0.880 55.373 56.287 -0.056 0.000 0.824 16 K CB 1.622 34.099 32.500 -0.038 0.000 1.167 16 K HN 0.616 nan 8.250 nan 0.000 0.431 17 R N 0.854 121.343 120.500 -0.019 0.000 2.679 17 R HA -0.005 4.335 4.340 -0.000 0.000 0.268 17 R C 0.074 176.376 176.300 0.004 0.000 1.044 17 R CA 0.001 56.100 56.100 -0.001 0.000 1.105 17 R CB 0.287 30.590 30.300 0.004 0.000 0.989 17 R HN 0.457 nan 8.270 nan 0.000 0.447 18 D N 2.949 123.363 120.400 0.022 0.000 2.347 18 D HA 0.130 4.770 4.640 -0.000 0.000 0.235 18 D C -1.728 174.583 176.300 0.019 0.000 1.149 18 D CA -2.506 51.510 54.000 0.026 0.000 0.850 18 D CB 1.458 42.289 40.800 0.050 0.000 1.061 18 D HN 0.145 nan 8.370 nan 0.000 0.487 19 P HA -0.224 nan 4.420 nan 0.000 0.217 19 P C 1.034 178.336 177.300 0.004 0.000 1.162 19 P CA 2.012 65.115 63.100 0.005 0.000 0.901 19 P CB 0.143 31.844 31.700 0.002 0.000 0.793 20 A N -0.934 121.890 122.820 0.006 0.000 1.940 20 A HA -0.173 4.147 4.320 -0.000 0.000 0.219 20 A C 2.355 179.941 177.584 0.003 0.000 1.176 20 A CA 1.934 53.972 52.037 0.002 0.000 0.631 20 A CB -1.690 17.313 19.000 0.004 0.000 0.814 20 A HN 0.073 nan 8.150 nan 0.000 0.446 21 V N 0.168 120.094 119.914 0.019 0.000 2.307 21 V HA -0.202 3.917 4.120 -0.000 0.000 0.245 21 V C 2.570 178.672 176.094 0.014 0.000 1.045 21 V CA 2.071 64.388 62.300 0.028 0.000 1.024 21 V CB -0.700 31.155 31.823 0.053 0.000 0.651 21 V HN 0.507 nan 8.190 nan 0.000 0.449 22 E N 0.574 120.781 120.200 0.011 0.000 2.051 22 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 22 E C 2.405 179.002 176.600 -0.005 0.000 0.991 22 E CA 1.554 57.957 56.400 0.005 0.000 0.799 22 E CB -0.748 28.955 29.700 0.005 0.000 0.748 22 E HN 0.545 nan 8.360 nan 0.000 0.449 23 A N 1.563 124.377 122.820 -0.010 0.000 1.892 23 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 23 A C 2.203 179.767 177.584 -0.035 0.000 1.188 23 A CA 1.871 53.896 52.037 -0.020 0.000 0.631 23 A CB -0.635 18.353 19.000 -0.020 0.000 0.822 23 A HN 0.240 nan 8.150 nan 0.000 0.447 24 Q N -0.680 119.093 119.800 -0.045 0.000 2.030 24 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 24 Q C 2.162 178.122 176.000 -0.066 0.000 0.986 24 Q CA 1.723 57.476 55.803 -0.083 0.000 0.843 24 Q CB -0.365 28.309 28.738 -0.107 0.000 0.904 24 Q HN 0.765 nan 8.270 nan 0.000 0.420 25 I N 1.164 121.718 120.570 -0.026 0.000 2.087 25 I HA -0.343 3.827 4.170 -0.000 0.000 0.240 25 I C 2.264 178.376 176.117 -0.008 0.000 1.054 25 I CA 1.303 62.601 61.300 -0.004 0.000 1.311 25 I CB -0.443 37.563 38.000 0.010 0.000 1.024 25 I HN 0.200 nan 8.210 nan 0.000 0.402 26 E N 0.784 120.977 120.200 -0.011 0.000 2.118 26 E HA -0.276 4.074 4.350 -0.000 0.000 0.195 26 E C 2.049 178.639 176.600 -0.016 0.000 0.992 26 E CA 1.267 57.662 56.400 -0.009 0.000 0.804 26 E CB -0.390 29.305 29.700 -0.009 0.000 0.741 26 E HN 0.481 nan 8.360 nan 0.000 0.458 27 K N 0.200 120.581 120.400 -0.032 0.000 2.057 27 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 27 K C 2.088 178.665 176.600 -0.038 0.000 1.049 27 K CA 0.761 57.023 56.287 -0.042 0.000 0.931 27 K CB 0.004 32.463 32.500 -0.069 0.000 0.714 27 K HN -0.047 nan 8.250 nan 0.000 0.440 28 L N 1.083 122.283 121.223 -0.040 0.000 1.973 28 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 28 L C 2.210 179.086 176.870 0.010 0.000 1.073 28 L CA 1.507 56.340 54.840 -0.012 0.000 0.746 28 L CB -0.884 41.182 42.059 0.011 0.000 0.891 28 L HN 0.217 nan 8.230 nan 0.000 0.433 29 L N -0.833 120.398 121.223 0.015 0.000 2.079 29 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 29 L C 2.457 179.336 176.870 0.015 0.000 1.081 29 L CA 1.219 56.073 54.840 0.022 0.000 0.752 29 L CB -0.567 41.505 42.059 0.022 0.000 0.896 29 L HN 0.323 nan 8.230 nan 0.000 0.433 30 A N 0.267 123.091 122.820 0.006 0.000 2.121 30 A HA -0.182 4.138 4.320 -0.000 0.000 0.218 30 A C 2.010 179.597 177.584 0.005 0.000 1.154 30 A CA 1.668 53.707 52.037 0.003 0.000 0.679 30 A CB -0.300 18.698 19.000 -0.003 0.000 0.795 30 A HN 0.572 nan 8.150 nan 0.000 0.458 31 K N -1.712 118.692 120.400 0.006 0.000 2.438 31 K HA 0.410 4.730 4.320 -0.000 0.000 0.205 31 K C -0.094 176.516 176.600 0.016 0.000 1.033 31 K CA -0.277 56.015 56.287 0.008 0.000 1.089 31 K CB 0.159 32.660 32.500 0.002 0.000 0.857 31 K HN 0.348 nan 8.250 nan 0.000 0.522 32 M N 2.726 122.339 119.600 0.023 0.000 2.318 32 M HA 0.136 4.616 4.480 -0.000 0.000 0.347 32 M C 0.126 176.446 176.300 0.033 0.000 1.175 32 M CA -0.635 54.685 55.300 0.034 0.000 1.075 32 M CB 1.856 34.483 32.600 0.045 0.000 1.614 32 M HN 0.183 nan 8.290 nan 0.000 0.456 33 T N -0.835 113.742 114.554 0.038 0.000 2.828 33 T HA 0.331 4.681 4.350 -0.000 0.000 0.290 33 T C 1.229 175.953 174.700 0.040 0.000 1.019 33 T CA -0.658 61.464 62.100 0.036 0.000 1.031 33 T CB 0.714 69.607 68.868 0.042 0.000 1.001 33 T HN 0.605 nan 8.240 nan 0.000 0.531 34 I N 0.625 121.210 120.570 0.026 0.000 2.185 34 I HA -0.236 3.934 4.170 -0.000 0.000 0.246 34 I C 2.698 178.826 176.117 0.018 0.000 1.088 34 I CA 1.721 63.029 61.300 0.014 0.000 1.347 34 I CB -0.470 37.526 38.000 -0.007 0.000 1.041 34 I HN 0.741 nan 8.210 nan 0.000 0.415 35 E N 0.561 120.786 120.200 0.042 0.000 2.038 35 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 35 E C 2.222 178.937 176.600 0.193 0.000 1.000 35 E CA 1.396 57.858 56.400 0.102 0.000 0.803 35 E CB -0.183 29.624 29.700 0.179 0.000 0.750 35 E HN 0.504 nan 8.360 nan 0.000 0.448 36 Q N 0.150 120.034 119.800 0.140 0.000 2.170 36 Q HA -0.127 4.213 4.340 -0.000 0.000 0.203 36 Q C 1.970 178.052 176.000 0.137 0.000 0.976 36 Q CA 1.212 57.093 55.803 0.130 0.000 0.858 36 Q CB -0.033 28.755 28.738 0.084 0.000 0.907 36 Q HN 0.161 nan 8.270 nan 0.000 0.433 37 K N -0.083 120.383 120.400 0.111 0.000 2.031 37 K HA -0.067 4.253 4.320 -0.000 0.000 0.205 37 K C 2.069 178.743 176.600 0.124 0.000 1.049 37 K CA 1.180 57.529 56.287 0.103 0.000 0.939 37 K CB -0.016 32.525 32.500 0.069 0.000 0.717 37 K HN -0.013 nan 8.250 nan 0.000 0.438 38 V N 1.648 121.626 119.914 0.107 0.000 2.490 38 V HA -0.251 3.869 4.120 -0.000 0.000 0.250 38 V C 2.329 178.590 176.094 0.278 0.000 1.061 38 V CA 1.981 64.350 62.300 0.115 0.000 1.064 38 V CB -0.734 31.052 31.823 -0.062 0.000 0.670 38 V HN 0.350 nan 8.190 nan 0.000 0.461 39 A N -0.850 122.195 122.820 0.376 0.000 1.933 39 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 39 A C 2.188 179.958 177.584 0.311 0.000 1.175 39 A CA 1.466 53.739 52.037 0.392 0.000 0.628 39 A CB -0.442 18.683 19.000 0.209 0.000 0.814 39 A HN 0.487 nan 8.150 nan 0.000 0.444 40 Q N -0.657 119.290 119.800 0.244 0.000 2.181 40 Q HA -0.073 4.267 4.340 -0.000 0.000 0.205 40 Q C 1.832 177.939 176.000 0.178 0.000 0.980 40 Q CA 1.450 57.412 55.803 0.264 0.000 0.862 40 Q CB -0.371 28.519 28.738 0.255 0.000 0.905 40 Q HN 0.796 nan 8.270 nan 0.000 0.429 41 M N -0.289 119.392 119.600 0.135 0.000 2.561 41 M HA 0.082 4.562 4.480 -0.000 0.000 0.238 41 M C -0.097 176.226 176.300 0.038 0.000 1.131 41 M CA 0.156 55.471 55.300 0.024 0.000 1.046 41 M CB 0.596 33.241 32.600 0.074 0.000 1.532 41 M HN -0.117 nan 8.290 nan 0.000 0.497 42 I N 0.890 121.549 120.570 0.148 0.000 2.377 42 I HA 0.278 4.448 4.170 -0.000 0.000 0.293 42 I C -0.159 175.939 176.117 -0.031 0.000 0.987 42 I CA -0.214 61.140 61.300 0.090 0.000 1.185 42 I CB 1.368 39.545 38.000 0.295 0.000 1.341 42 I HN 0.145 nan 8.210 nan 0.000 0.455 43 Q N 7.639 127.341 119.800 -0.163 0.000 2.401 43 Q HA 0.437 4.777 4.340 -0.000 0.000 0.260 43 Q C -2.578 173.228 176.000 -0.324 0.000 1.034 43 Q CA -1.566 54.142 55.803 -0.159 0.000 0.737 43 Q CB 2.239 30.966 28.738 -0.019 0.000 1.227 43 Q HN 0.314 nan 8.270 nan 0.000 0.488 44 P HA 0.128 nan 4.420 nan 0.000 0.276 44 P C -0.852 176.304 177.300 -0.241 0.000 1.261 44 P CA -0.356 62.314 63.100 -0.717 0.000 0.800 44 P CB 0.830 31.531 31.700 -1.665 0.000 1.066 45 E N 0.518 120.675 120.200 -0.072 0.000 2.221 45 E HA 0.196 4.546 4.350 -0.000 0.000 0.268 45 E C 1.075 177.782 176.600 0.179 0.000 0.933 45 E CA -0.612 55.879 56.400 0.153 0.000 0.809 45 E CB 1.440 31.302 29.700 0.269 0.000 1.190 45 E HN 0.385 nan 8.360 nan 0.000 0.406 46 I N 0.316 120.999 120.570 0.189 0.000 2.493 46 I HA 0.035 4.205 4.170 -0.000 0.000 0.254 46 I C 1.724 177.860 176.117 0.031 0.000 1.160 46 I CA 1.258 62.629 61.300 0.118 0.000 1.445 46 I CB -0.356 37.652 38.000 0.015 0.000 1.086 46 I HN 0.502 nan 8.210 nan 0.000 0.433 47 G N 0.572 109.337 108.800 -0.058 0.000 2.479 47 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 47 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 47 G C 1.096 175.724 174.900 -0.454 0.000 1.115 47 G CA 1.056 45.936 45.100 -0.367 0.000 0.757 47 G HN 0.617 nan 8.290 nan 0.000 0.560 48 Y N -1.869 118.522 120.300 0.153 0.000 2.448 48 Y HA 0.423 4.973 4.550 -0.000 0.000 0.257 48 Y C 0.462 176.528 175.900 0.276 0.000 1.089 48 Y CA -1.095 57.125 58.100 0.200 0.000 1.245 48 Y CB 0.413 39.020 38.460 0.245 0.000 1.282 48 Y HN 0.087 nan 8.280 nan 0.000 0.529 49 L N 1.881 123.278 121.223 0.291 0.000 2.307 49 L HA 0.605 4.945 4.340 -0.000 0.000 0.282 49 L C 0.321 177.269 176.870 0.131 0.000 1.051 49 L CA -0.186 54.752 54.840 0.162 0.000 0.804 49 L CB 1.061 43.026 42.059 -0.157 0.000 1.197 49 L HN 0.170 nan 8.230 nan 0.000 0.431 50 T N 1.112 115.753 114.554 0.145 0.000 2.948 50 T HA 0.419 4.769 4.350 -0.000 0.000 0.285 50 T C 1.179 175.871 174.700 -0.012 0.000 1.019 50 T CA -0.382 61.763 62.100 0.075 0.000 1.013 50 T CB 1.289 70.217 68.868 0.101 0.000 1.117 50 T HN 0.372 nan 8.240 nan 0.000 0.533 51 V N 1.341 121.211 119.914 -0.075 0.000 2.343 51 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 51 V C 2.697 178.746 176.094 -0.075 0.000 1.051 51 V CA 2.037 64.255 62.300 -0.136 0.000 1.036 51 V CB -1.180 30.554 31.823 -0.149 0.000 0.654 51 V HN 0.898 nan 8.190 nan 0.000 0.451 52 E N 0.130 120.312 120.200 -0.029 0.000 2.118 52 E HA -0.256 4.094 4.350 -0.000 0.000 0.195 52 E C 2.257 178.852 176.600 -0.008 0.000 0.992 52 E CA 1.331 57.717 56.400 -0.024 0.000 0.804 52 E CB -0.355 29.344 29.700 -0.003 0.000 0.741 52 E HN 0.648 nan 8.360 nan 0.000 0.458 53 Q N -0.611 119.242 119.800 0.087 0.000 2.124 53 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 53 Q C 2.092 178.188 176.000 0.160 0.000 0.977 53 Q CA 1.535 57.480 55.803 0.237 0.000 0.850 53 Q CB -0.139 28.874 28.738 0.458 0.000 0.901 53 Q HN 0.244 nan 8.270 nan 0.000 0.429 54 M N 0.437 120.072 119.600 0.058 0.000 2.132 54 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 54 M C 1.911 178.127 176.300 -0.140 0.000 1.065 54 M CA 1.654 56.931 55.300 -0.038 0.000 1.122 54 M CB -0.190 32.337 32.600 -0.122 0.000 1.365 54 M HN -0.040 nan 8.290 nan 0.000 0.411 55 R N -0.159 120.262 120.500 -0.131 0.000 2.091 55 R HA -0.197 4.143 4.340 -0.000 0.000 0.238 55 R C 2.354 178.532 176.300 -0.204 0.000 1.136 55 R CA 1.928 57.939 56.100 -0.148 0.000 0.959 55 R CB -0.305 29.924 30.300 -0.118 0.000 0.856 55 R HN 0.453 nan 8.270 nan 0.000 0.437 56 K N -0.941 119.297 120.400 -0.269 0.000 2.076 56 K HA -0.130 4.189 4.320 -0.000 0.000 0.204 56 K C 1.304 177.514 176.600 -0.651 0.000 1.051 56 K CA 1.308 57.321 56.287 -0.456 0.000 0.949 56 K CB 0.081 32.234 32.500 -0.579 0.000 0.726 56 K HN 0.230 nan 8.250 nan 0.000 0.443 57 Y N -0.758 119.249 120.300 -0.489 0.000 2.522 57 Y HA 0.251 4.801 4.550 -0.000 0.000 0.277 57 Y C 1.103 176.583 175.900 -0.700 0.000 1.104 57 Y CA 0.404 58.015 58.100 -0.814 0.000 1.260 57 Y CB 0.523 38.041 38.460 -1.571 0.000 1.151 57 Y HN 0.244 nan 8.280 nan 0.000 0.539 58 G N 1.074 109.611 108.800 -0.438 0.000 2.324 58 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.292 58 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.292 58 G C -0.383 174.427 174.900 -0.151 0.000 1.079 58 G CA -0.434 44.528 45.100 -0.230 0.000 1.026 58 G HN 0.108 nan 8.290 nan 0.000 0.506 59 F N -0.121 119.844 119.950 0.025 0.000 2.595 59 F HA 0.386 4.913 4.527 -0.000 0.000 0.359 59 F C 1.964 177.838 175.800 0.122 0.000 1.147 59 F CA 1.018 59.049 58.000 0.052 0.000 1.341 59 F CB 0.531 39.520 39.000 -0.018 0.000 1.104 59 F HN 0.117 nan 8.300 nan 0.000 0.603 60 G N 0.535 109.571 108.800 0.393 0.000 2.443 60 G HA2 0.117 4.077 3.960 -0.000 0.000 0.219 60 G HA3 0.117 4.077 3.960 -0.000 0.000 0.219 60 G C 0.125 175.358 174.900 0.555 0.000 1.131 60 G CA 0.902 46.282 45.100 0.468 0.000 0.775 60 G HN 0.723 nan 8.290 nan 0.000 0.547 61 S N -1.665 114.317 115.700 0.470 0.000 2.615 61 S HA 0.673 5.143 4.470 -0.000 0.000 0.269 61 S C -1.101 173.764 174.600 0.442 0.000 1.161 61 S CA -0.938 57.581 58.200 0.531 0.000 0.817 61 S CB 1.739 65.373 63.200 0.723 0.000 1.131 61 S HN 0.850 nan 8.310 nan 0.000 0.467 62 Y N -0.533 119.887 120.300 0.200 0.000 2.615 62 Y HA 0.896 5.446 4.550 -0.000 0.000 0.341 62 Y C -1.639 174.388 175.900 0.213 0.000 1.089 62 Y CA -1.681 56.454 58.100 0.058 0.000 1.049 62 Y CB 0.808 39.217 38.460 -0.085 0.000 1.296 62 Y HN 0.848 nan 8.280 nan 0.000 0.470 63 L N 2.864 124.192 121.223 0.175 0.000 2.381 63 L HA 0.596 4.936 4.340 -0.000 0.000 0.268 63 L C -1.220 175.887 176.870 0.395 0.000 0.997 63 L CA -0.735 54.252 54.840 0.244 0.000 0.818 63 L CB 2.099 44.297 42.059 0.232 0.000 1.310 63 L HN 0.917 nan 8.230 nan 0.000 0.416 64 N N 2.145 121.117 118.700 0.453 0.000 2.426 64 N HA 0.591 5.331 4.740 -0.000 0.000 0.257 64 N C -0.388 175.316 175.510 0.323 0.000 1.002 64 N CA -0.601 52.688 53.050 0.397 0.000 0.942 64 N CB 1.620 40.370 38.487 0.439 0.000 1.112 64 N HN 0.814 nan 8.380 nan 0.000 0.499 65 G N 1.160 110.178 108.800 0.363 0.000 3.005 65 G HA2 0.474 4.434 3.960 -0.000 0.000 0.342 65 G HA3 0.474 4.434 3.960 -0.000 0.000 0.342 65 G C 1.070 176.029 174.900 0.098 0.000 1.101 65 G CA -0.363 44.964 45.100 0.379 0.000 1.225 65 G HN 1.005 nan 8.290 nan 0.000 0.462 66 G N 2.598 111.525 108.800 0.212 0.000 2.916 66 G HA2 -0.421 3.539 3.960 -0.000 0.000 0.234 66 G HA3 -0.421 3.539 3.960 -0.000 0.000 0.234 66 G C 1.091 176.012 174.900 0.034 0.000 1.147 66 G CA 1.200 46.389 45.100 0.149 0.000 0.788 66 G HN 0.800 nan 8.290 nan 0.000 0.536 67 N N 0.573 119.237 118.700 -0.060 0.000 2.377 67 N HA 0.366 5.106 4.740 -0.000 0.000 0.259 67 N C 0.002 175.499 175.510 -0.022 0.000 1.332 67 N CA 0.960 53.981 53.050 -0.049 0.000 0.877 67 N CB 0.821 39.227 38.487 -0.134 0.000 1.299 67 N HN 0.832 nan 8.380 nan 0.000 0.501 68 T N -2.939 111.626 114.554 0.018 0.000 2.883 68 T HA 0.911 5.261 4.350 -0.000 0.000 0.296 68 T C -0.833 173.857 174.700 -0.017 0.000 1.117 68 T CA -0.923 61.171 62.100 -0.011 0.000 1.006 68 T CB 2.206 71.070 68.868 -0.006 0.000 1.191 68 T HN -0.003 nan 8.240 nan 0.000 0.508 69 A N 0.960 123.707 122.820 -0.123 0.000 2.572 69 A HA 0.808 5.128 4.320 -0.000 0.000 0.295 69 A C -3.106 174.202 177.584 -0.460 0.000 1.072 69 A CA -1.960 49.910 52.037 -0.279 0.000 0.691 69 A CB 0.983 19.865 19.000 -0.198 0.000 1.291 69 A HN 0.612 nan 8.150 nan 0.000 0.404 70 P HA 0.211 nan 4.420 nan 0.000 0.245 70 P C -0.701 176.113 177.300 -0.810 0.000 1.347 70 P CA 1.150 63.636 63.100 -1.023 0.000 1.314 70 P CB -0.993 29.968 31.700 -1.232 0.000 1.679 71 Y N -0.201 120.008 120.300 -0.150 0.000 4.894 71 Y HA -0.270 4.280 4.550 -0.000 0.000 0.270 71 Y C 1.406 177.249 175.900 -0.095 0.000 0.930 71 Y CA 0.338 58.403 58.100 -0.059 0.000 1.814 71 Y CB -2.490 35.956 38.460 -0.023 0.000 1.235 71 Y HN 0.509 nan 8.280 nan 0.000 0.480 72 G N 1.823 110.597 108.800 -0.044 0.000 2.222 72 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.234 72 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.234 72 G C -0.075 174.801 174.900 -0.040 0.000 0.698 72 G CA 0.556 45.610 45.100 -0.077 0.000 1.094 72 G HN 0.871 nan 8.290 nan 0.000 0.316 73 N N -0.638 118.031 118.700 -0.052 0.000 2.642 73 N HA -0.170 4.570 4.740 -0.000 0.000 0.269 73 N C 1.559 176.998 175.510 -0.117 0.000 1.073 73 N CA 1.478 54.478 53.050 -0.083 0.000 0.748 73 N CB -0.385 38.075 38.487 -0.046 0.000 0.894 73 N HN 1.079 nan 8.380 nan 0.000 0.548 74 K N -0.754 119.573 120.400 -0.121 0.000 2.525 74 K HA 0.055 4.375 4.320 -0.000 0.000 0.192 74 K C 0.977 177.463 176.600 -0.189 0.000 1.029 74 K CA 0.721 56.943 56.287 -0.108 0.000 1.029 74 K CB 0.320 32.756 32.500 -0.106 0.000 0.814 74 K HN 0.223 nan 8.250 nan 0.000 0.503 75 R N 0.997 121.323 120.500 -0.291 0.000 2.652 75 R HA 0.286 4.626 4.340 -0.000 0.000 0.372 75 R C -0.517 175.723 176.300 -0.101 0.000 1.104 75 R CA -0.285 55.476 56.100 -0.566 0.000 1.072 75 R CB 1.051 30.851 30.300 -0.834 0.000 1.367 75 R HN 0.144 nan 8.270 nan 0.000 0.577 76 A N 2.282 125.135 122.820 0.055 0.000 2.548 76 A HA 0.015 4.335 4.320 -0.000 0.000 0.247 76 A C -0.008 177.800 177.584 0.373 0.000 1.067 76 A CA -0.233 51.886 52.037 0.137 0.000 0.757 76 A CB -0.069 18.843 19.000 -0.146 0.000 0.996 76 A HN 0.360 nan 8.150 nan 0.000 0.504 77 D N 1.664 122.238 120.400 0.291 0.000 2.371 77 D HA 0.037 4.677 4.640 -0.000 0.000 0.242 77 D C 1.078 177.625 176.300 0.411 0.000 1.218 77 D CA -0.243 53.939 54.000 0.303 0.000 0.945 77 D CB 0.296 41.216 40.800 0.201 0.000 1.137 77 D HN 0.594 nan 8.370 nan 0.000 0.464 78 Q N -0.016 119.952 119.800 0.279 0.000 2.133 78 Q HA -0.315 4.025 4.340 -0.000 0.000 0.208 78 Q C 1.931 178.114 176.000 0.305 0.000 0.991 78 Q CA 2.242 58.196 55.803 0.251 0.000 0.867 78 Q CB -0.441 28.385 28.738 0.147 0.000 0.911 78 Q HN 0.680 nan 8.270 nan 0.000 0.417 79 A N 0.074 123.038 122.820 0.240 0.000 1.972 79 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 79 A C 2.158 179.898 177.584 0.260 0.000 1.169 79 A CA 2.076 54.241 52.037 0.213 0.000 0.635 79 A CB -0.813 18.278 19.000 0.152 0.000 0.810 79 A HN 0.676 nan 8.150 nan 0.000 0.446 80 T N -4.462 110.262 114.554 0.283 0.000 2.896 80 T HA -0.156 4.194 4.350 -0.000 0.000 0.263 80 T C 1.611 176.476 174.700 0.274 0.000 1.050 80 T CA 0.980 63.242 62.100 0.270 0.000 1.140 80 T CB -0.532 68.464 68.868 0.213 0.000 0.877 80 T HN 0.563 nan 8.240 nan 0.000 0.457 81 W N 1.641 123.078 121.300 0.227 0.000 2.333 81 W HA 0.125 4.785 4.660 0.000 0.000 0.316 81 W C 2.314 179.087 176.519 0.423 0.000 1.215 81 W CA 0.404 57.930 57.345 0.303 0.000 1.278 81 W CB -0.791 28.752 29.460 0.139 0.000 1.154 81 W HN 0.155 nan 8.180 nan 0.000 0.486 82 L N 0.021 121.557 121.223 0.522 0.000 2.046 82 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 82 L C 2.502 179.578 176.870 0.343 0.000 1.077 82 L CA 1.357 56.433 54.840 0.394 0.000 0.747 82 L CB -0.918 41.301 42.059 0.267 0.000 0.896 82 L HN -0.092 nan 8.230 nan 0.000 0.432 83 K N -0.104 120.483 120.400 0.312 0.000 2.063 83 K HA -0.260 4.059 4.320 -0.000 0.000 0.208 83 K C 2.048 178.807 176.600 0.265 0.000 1.048 83 K CA 1.723 58.166 56.287 0.260 0.000 0.928 83 K CB -0.620 32.042 32.500 0.269 0.000 0.713 83 K HN 0.245 nan 8.250 nan 0.000 0.442 84 Y N -0.086 120.330 120.300 0.194 0.000 2.163 84 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 84 Y C 1.954 177.887 175.900 0.054 0.000 1.136 84 Y CA 1.807 59.930 58.100 0.039 0.000 1.147 84 Y CB -0.424 37.927 38.460 -0.182 0.000 0.987 84 Y HN 0.123 nan 8.280 nan 0.000 0.509 85 A N -0.048 123.095 122.820 0.537 0.000 1.978 85 A HA -0.217 4.103 4.320 -0.000 0.000 0.220 85 A C 1.803 179.564 177.584 0.295 0.000 1.170 85 A CA 2.115 54.475 52.037 0.539 0.000 0.636 85 A CB -0.770 18.680 19.000 0.749 0.000 0.810 85 A HN 0.532 nan 8.150 nan 0.000 0.448 86 D N -0.370 120.159 120.400 0.214 0.000 2.097 86 D HA -0.092 4.548 4.640 -0.000 0.000 0.197 86 D C 2.032 178.399 176.300 0.111 0.000 0.984 86 D CA 1.369 55.460 54.000 0.152 0.000 0.826 86 D CB -0.338 40.534 40.800 0.120 0.000 0.973 86 D HN 0.630 nan 8.370 nan 0.000 0.460 87 E N -0.227 119.967 120.200 -0.009 0.000 2.077 87 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 87 E C 2.076 178.585 176.600 -0.152 0.000 0.989 87 E CA 0.684 57.027 56.400 -0.095 0.000 0.800 87 E CB -0.009 29.583 29.700 -0.180 0.000 0.746 87 E HN 0.211 nan 8.360 nan 0.000 0.452 88 M N -0.095 119.351 119.600 -0.257 0.000 2.099 88 M HA -0.154 4.326 4.480 -0.000 0.000 0.262 88 M C 2.304 178.537 176.300 -0.111 0.000 1.067 88 M CA 1.437 56.532 55.300 -0.342 0.000 1.124 88 M CB -1.087 31.091 32.600 -0.702 0.000 1.353 88 M HN 0.184 nan 8.290 nan 0.000 0.410 89 Y N 1.459 121.722 120.300 -0.060 0.000 2.053 89 Y HA -0.262 4.288 4.550 -0.000 0.000 0.277 89 Y C 2.197 178.085 175.900 -0.021 0.000 1.159 89 Y CA 1.962 60.069 58.100 0.012 0.000 1.125 89 Y CB -0.547 37.962 38.460 0.082 0.000 0.969 89 Y HN 0.103 nan 8.280 nan 0.000 0.492 90 L N 0.023 121.338 121.223 0.153 0.000 2.079 90 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 90 L C 2.815 179.630 176.870 -0.091 0.000 1.081 90 L CA 1.121 55.979 54.840 0.030 0.000 0.752 90 L CB -1.024 41.099 42.059 0.106 0.000 0.896 90 L HN 0.428 nan 8.230 nan 0.000 0.433 91 A N 0.058 122.816 122.820 -0.104 0.000 1.902 91 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 91 A C 2.517 180.010 177.584 -0.152 0.000 1.181 91 A CA 1.694 53.655 52.037 -0.128 0.000 0.623 91 A CB -0.648 18.263 19.000 -0.149 0.000 0.818 91 A HN 0.390 nan 8.150 nan 0.000 0.443 92 A N -1.383 121.328 122.820 -0.180 0.000 2.014 92 A HA 0.027 4.347 4.320 -0.000 0.000 0.218 92 A C 1.954 179.410 177.584 -0.214 0.000 1.163 92 A CA 1.533 53.462 52.037 -0.180 0.000 0.652 92 A CB -0.356 18.552 19.000 -0.152 0.000 0.808 92 A HN 0.398 nan 8.150 nan 0.000 0.449 93 M N 0.318 119.735 119.600 -0.304 0.000 2.619 93 M HA 0.052 4.532 4.480 -0.000 0.000 0.251 93 M C -0.048 176.168 176.300 -0.139 0.000 1.106 93 M CA 0.270 55.407 55.300 -0.272 0.000 1.086 93 M CB -0.984 31.368 32.600 -0.415 0.000 1.465 93 M HN 0.314 nan 8.290 nan 0.000 0.506 94 D N 0.628 120.954 120.400 -0.122 0.000 2.313 94 D HA 0.130 4.770 4.640 -0.000 0.000 0.239 94 D C 0.739 176.993 176.300 -0.078 0.000 1.142 94 D CA -0.004 53.947 54.000 -0.082 0.000 0.847 94 D CB 1.046 41.801 40.800 -0.076 0.000 1.082 94 D HN 0.128 nan 8.370 nan 0.000 0.480 95 S N 1.579 117.246 115.700 -0.055 0.000 2.631 95 S HA -0.047 4.423 4.470 -0.000 0.000 0.217 95 S C 1.576 176.145 174.600 -0.052 0.000 0.958 95 S CA -0.098 58.074 58.200 -0.048 0.000 0.920 95 S CB -0.103 63.082 63.200 -0.025 0.000 0.776 95 S HN 0.435 nan 8.310 nan 0.000 0.517 96 T N 3.037 117.557 114.554 -0.057 0.000 2.685 96 T HA -0.072 4.278 4.350 -0.000 0.000 0.268 96 T C 1.401 176.062 174.700 -0.066 0.000 1.034 96 T CA 1.974 64.040 62.100 -0.055 0.000 1.149 96 T CB -0.339 68.495 68.868 -0.056 0.000 0.860 96 T HN 0.441 nan 8.240 nan 0.000 0.449 97 L N 0.166 121.334 121.223 -0.092 0.000 2.433 97 L HA 0.142 4.482 4.340 -0.000 0.000 0.200 97 L C 2.404 179.208 176.870 -0.110 0.000 1.059 97 L CA 0.575 55.348 54.840 -0.112 0.000 0.835 97 L CB -0.229 41.733 42.059 -0.162 0.000 1.076 97 L HN 0.206 nan 8.230 nan 0.000 0.481 98 D N 0.059 120.385 120.400 -0.123 0.000 2.289 98 D HA -0.038 4.602 4.640 -0.000 0.000 0.207 98 D C 1.458 177.732 176.300 -0.043 0.000 0.966 98 D CA 1.089 55.031 54.000 -0.096 0.000 0.868 98 D CB 0.098 40.822 40.800 -0.126 0.000 0.943 98 D HN 0.289 nan 8.370 nan 0.000 0.514 99 G N 0.458 109.234 108.800 -0.041 0.000 2.137 99 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.237 99 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.237 99 G C -0.147 174.750 174.900 -0.005 0.000 1.002 99 G CA 0.338 45.427 45.100 -0.019 0.000 0.702 99 G HN 0.503 nan 8.290 nan 0.000 0.515 100 I N -0.604 119.960 120.570 -0.009 0.000 2.841 100 I HA 0.716 4.886 4.170 -0.000 0.000 0.298 100 I C -0.259 175.861 176.117 0.005 0.000 1.304 100 I CA -0.261 61.047 61.300 0.013 0.000 1.019 100 I CB 2.000 40.019 38.000 0.033 0.000 1.282 100 I HN 0.673 nan 8.210 nan 0.000 0.432 101 A N 7.856 130.699 122.820 0.039 0.000 3.150 101 A HA 0.637 4.957 4.320 -0.000 0.000 0.328 101 A C -0.617 177.007 177.584 0.066 0.000 1.104 101 A CA -0.249 51.801 52.037 0.022 0.000 0.937 101 A CB -0.629 18.392 19.000 0.035 0.000 1.073 101 A HN 0.484 nan 8.150 nan 0.000 0.497 102 I N 1.795 122.376 120.570 0.019 0.000 2.331 102 I HA 0.288 4.458 4.170 -0.000 0.000 0.292 102 I C -2.304 173.690 176.117 -0.205 0.000 0.998 102 I CA -2.281 58.991 61.300 -0.047 0.000 1.267 102 I CB 1.866 39.902 38.000 0.060 0.000 1.386 102 I HN 0.244 nan 8.210 nan 0.000 0.476 103 P HA 0.049 nan 4.420 nan 0.000 0.268 103 P C -0.113 177.117 177.300 -0.115 0.000 1.205 103 P CA -0.074 62.844 63.100 -0.303 0.000 0.771 103 P CB 0.650 32.173 31.700 -0.295 0.000 0.858 104 T N 1.276 115.837 114.554 0.011 0.000 2.847 104 T HA 0.504 4.854 4.350 -0.000 0.000 0.279 104 T C -0.359 174.498 174.700 0.260 0.000 0.984 104 T CA -0.474 61.730 62.100 0.175 0.000 0.988 104 T CB 0.275 69.282 68.868 0.231 0.000 1.040 104 T HN 0.253 nan 8.240 nan 0.000 0.528 105 V N 0.535 120.662 119.914 0.354 0.000 2.823 105 V HA 0.697 4.817 4.120 -0.000 0.000 0.312 105 V C -1.274 175.029 176.094 0.350 0.000 1.072 105 V CA -1.236 61.261 62.300 0.329 0.000 0.937 105 V CB 1.752 33.682 31.823 0.179 0.000 1.013 105 V HN 0.882 nan 8.190 nan 0.000 0.430 106 W N 3.155 124.406 121.300 -0.083 0.000 2.335 106 W HA 0.823 5.483 4.660 0.000 0.000 0.307 106 W C 0.346 176.725 176.519 -0.233 0.000 1.117 106 W CA -0.544 56.471 57.345 -0.550 0.000 1.228 106 W CB 1.254 30.440 29.460 -0.457 0.000 1.240 106 W HN 1.073 nan 8.180 nan 0.000 0.468 107 G N 2.766 111.591 108.800 0.042 0.000 2.388 107 G HA2 0.529 4.489 3.960 -0.000 0.000 0.330 107 G HA3 0.529 4.489 3.960 -0.000 0.000 0.330 107 G C -1.227 173.259 174.900 -0.690 0.000 1.142 107 G CA -0.361 44.481 45.100 -0.430 0.000 0.908 107 G HN 0.326 nan 8.290 nan 0.000 0.473 108 T N 0.330 114.193 114.554 -1.152 0.000 2.912 108 T HA 0.353 4.703 4.350 -0.000 0.000 0.299 108 T C -1.472 172.454 174.700 -1.289 0.000 1.052 108 T CA -0.645 60.874 62.100 -0.968 0.000 0.996 108 T CB 1.831 70.306 68.868 -0.656 0.000 1.070 108 T HN 0.402 nan 8.240 nan 0.000 0.465 109 D N 2.918 122.926 120.400 -0.654 0.000 2.325 109 D HA 0.448 5.088 4.640 -0.000 0.000 0.251 109 D C -0.406 175.772 176.300 -0.202 0.000 1.196 109 D CA -0.187 53.638 54.000 -0.293 0.000 0.866 109 D CB 1.096 41.923 40.800 0.045 0.000 1.101 109 D HN 0.642 nan 8.370 nan 0.000 0.476 110 A N 4.865 127.556 122.820 -0.214 0.000 2.937 110 A HA 0.154 4.474 4.320 -0.000 0.000 0.338 110 A C 1.103 178.651 177.584 -0.060 0.000 1.273 110 A CA -0.541 51.416 52.037 -0.133 0.000 0.937 110 A CB 0.376 19.247 19.000 -0.215 0.000 1.133 110 A HN 0.616 nan 8.150 nan 0.000 0.491 111 M N 1.151 120.751 119.600 -0.001 0.000 2.086 111 M HA -0.099 4.381 4.480 -0.000 0.000 0.261 111 M C 0.944 177.367 176.300 0.205 0.000 1.067 111 M CA 2.298 57.621 55.300 0.038 0.000 1.116 111 M CB -0.305 32.312 32.600 0.028 0.000 1.348 111 M HN 0.824 nan 8.290 nan 0.000 0.407 112 H N -2.821 116.252 119.070 0.006 0.000 2.806 112 H HA 0.580 5.136 4.556 -0.000 0.000 0.218 112 H C 0.021 175.425 175.328 0.127 0.000 1.392 112 H CA -0.617 55.432 56.048 0.002 0.000 1.358 112 H CB -0.385 29.255 29.762 -0.203 0.000 1.944 112 H HN 0.416 nan 8.280 nan 0.000 0.530 113 G N 0.661 109.504 108.800 0.072 0.000 2.592 113 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.684 113 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.684 113 G C -0.911 173.991 174.900 0.005 0.000 1.291 113 G CA -0.608 44.541 45.100 0.081 0.000 0.891 113 G HN 0.783 nan 8.290 nan 0.000 0.544 114 H N 1.090 120.077 119.070 -0.139 0.000 3.460 114 H HA 0.333 4.889 4.556 -0.000 0.000 0.238 114 H C 1.980 177.203 175.328 -0.174 0.000 1.752 114 H CA 0.359 56.285 56.048 -0.202 0.000 1.503 114 H CB -0.186 29.412 29.762 -0.273 0.000 1.830 114 H HN 0.549 nan 8.280 nan 0.000 0.614 115 S N 1.586 117.310 115.700 0.041 0.000 2.515 115 S HA -0.116 4.354 4.470 -0.000 0.000 0.231 115 S C 1.497 176.149 174.600 0.086 0.000 0.987 115 S CA 0.165 58.369 58.200 0.007 0.000 0.936 115 S CB 0.131 63.373 63.200 0.070 0.000 0.766 115 S HN 0.665 nan 8.310 nan 0.000 0.528 116 N N 1.499 120.253 118.700 0.090 0.000 2.494 116 N HA 0.071 4.811 4.740 -0.000 0.000 0.182 116 N C 0.126 175.649 175.510 0.021 0.000 1.076 116 N CA 0.291 53.406 53.050 0.108 0.000 0.908 116 N CB -0.186 38.414 38.487 0.188 0.000 0.967 116 N HN 0.300 nan 8.380 nan 0.000 0.449 117 V N 1.731 121.510 119.914 -0.226 0.000 2.509 117 V HA 0.052 4.172 4.120 -0.000 0.000 0.284 117 V C -0.205 175.856 176.094 -0.055 0.000 1.047 117 V CA -0.960 61.186 62.300 -0.257 0.000 0.952 117 V CB 0.783 32.078 31.823 -0.880 0.000 0.988 117 V HN 0.161 nan 8.190 nan 0.000 0.469 118 Y N 3.895 124.179 120.300 -0.028 0.000 2.605 118 Y HA 0.439 4.989 4.550 0.000 0.000 0.336 118 Y C 1.176 177.048 175.900 -0.047 0.000 1.111 118 Y CA 0.744 58.820 58.100 -0.039 0.000 1.422 118 Y CB 0.218 38.685 38.460 0.011 0.000 1.193 118 Y HN 0.962 nan 8.280 nan 0.000 0.526 119 G N 3.613 112.148 108.800 -0.441 0.000 2.136 119 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.242 119 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.242 119 G C 0.085 174.864 174.900 -0.202 0.000 0.989 119 G CA -0.069 44.802 45.100 -0.381 0.000 0.682 119 G HN 1.209 nan 8.290 nan 0.000 0.522 120 A N 0.132 122.843 122.820 -0.181 0.000 2.340 120 A HA 0.736 5.056 4.320 -0.000 0.000 0.268 120 A C 0.871 178.367 177.584 -0.145 0.000 1.100 120 A CA 0.738 52.682 52.037 -0.155 0.000 0.803 120 A CB 0.412 19.288 19.000 -0.206 0.000 1.043 120 A HN 0.827 nan 8.150 nan 0.000 0.488 121 T N 2.376 116.847 114.554 -0.139 0.000 2.902 121 T HA 0.318 4.668 4.350 -0.000 0.000 0.301 121 T C -0.049 174.454 174.700 -0.328 0.000 1.012 121 T CA 0.678 62.622 62.100 -0.261 0.000 1.151 121 T CB -0.314 68.359 68.868 -0.324 0.000 0.946 121 T HN 0.376 nan 8.240 nan 0.000 0.542 122 L N 4.166 125.157 121.223 -0.387 0.000 2.298 122 L HA 0.490 4.830 4.340 -0.000 0.000 0.284 122 L C -0.240 176.389 176.870 -0.403 0.000 1.013 122 L CA -0.768 53.820 54.840 -0.421 0.000 0.824 122 L CB 0.628 42.474 42.059 -0.354 0.000 1.221 122 L HN 0.550 nan 8.230 nan 0.000 0.418 123 F N 3.352 123.185 119.950 -0.195 0.000 2.375 123 F HA 0.394 4.921 4.527 -0.000 0.000 0.313 123 F C -1.713 174.092 175.800 0.009 0.000 1.176 123 F CA -1.994 55.962 58.000 -0.073 0.000 1.142 123 F CB 0.132 39.097 39.000 -0.059 0.000 1.275 123 F HN 0.275 nan 8.300 nan 0.000 0.544 124 P HA -0.012 nan 4.420 nan 0.000 0.267 124 P C -0.417 176.981 177.300 0.164 0.000 1.200 124 P CA 0.228 63.426 63.100 0.165 0.000 0.772 124 P CB 0.281 32.093 31.700 0.186 0.000 0.855 125 H N 1.856 120.998 119.070 0.121 0.000 2.822 125 H HA 0.028 4.584 4.556 -0.000 0.000 0.373 125 H C 1.391 176.771 175.328 0.087 0.000 1.223 125 H CA 0.482 56.558 56.048 0.047 0.000 1.436 125 H CB 0.390 30.119 29.762 -0.054 0.000 1.439 125 H HN 0.401 nan 8.280 nan 0.000 0.618 126 N N 1.060 119.876 118.700 0.192 0.000 2.149 126 N HA -0.156 4.584 4.740 -0.000 0.000 0.188 126 N C 2.055 177.662 175.510 0.161 0.000 1.019 126 N CA 0.787 53.878 53.050 0.069 0.000 0.857 126 N CB -0.317 37.916 38.487 -0.422 0.000 0.997 126 N HN 0.592 nan 8.380 nan 0.000 0.426 127 I N 0.284 120.895 120.570 0.067 0.000 2.151 127 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 127 I C 1.983 177.882 176.117 -0.364 0.000 1.080 127 I CA 1.842 63.090 61.300 -0.086 0.000 1.339 127 I CB -0.481 37.374 38.000 -0.241 0.000 1.039 127 I HN 0.162 nan 8.210 nan 0.000 0.409 128 G N 0.634 109.240 108.800 -0.323 0.000 2.402 128 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.216 128 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.216 128 G C 1.626 176.553 174.900 0.047 0.000 1.162 128 G CA 0.736 45.681 45.100 -0.259 0.000 0.777 128 G HN 0.438 nan 8.290 nan 0.000 0.539 129 L N 0.899 122.224 121.223 0.170 0.000 2.127 129 L HA -0.033 4.307 4.340 -0.000 0.000 0.211 129 L C 3.138 180.226 176.870 0.363 0.000 1.089 129 L CA 0.938 55.939 54.840 0.269 0.000 0.757 129 L CB -0.799 41.473 42.059 0.354 0.000 0.899 129 L HN 0.332 nan 8.230 nan 0.000 0.434 130 G N 0.060 109.042 108.800 0.304 0.000 2.480 130 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.216 130 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.216 130 G C 1.765 176.676 174.900 0.018 0.000 1.200 130 G CA 0.892 46.050 45.100 0.096 0.000 0.782 130 G HN 0.469 nan 8.290 nan 0.000 0.554 131 A N 0.993 123.806 122.820 -0.011 0.000 2.024 131 A HA 0.210 4.530 4.320 -0.000 0.000 0.220 131 A C 2.737 180.387 177.584 0.110 0.000 1.164 131 A CA 2.221 54.291 52.037 0.054 0.000 0.643 131 A CB -0.628 18.483 19.000 0.185 0.000 0.806 131 A HN 0.896 nan 8.150 nan 0.000 0.451 132 A N -1.239 121.664 122.820 0.139 0.000 2.015 132 A HA -0.014 4.306 4.320 -0.000 0.000 0.219 132 A C 1.219 178.879 177.584 0.126 0.000 1.163 132 A CA 0.916 53.033 52.037 0.133 0.000 0.646 132 A CB -0.252 18.823 19.000 0.124 0.000 0.806 132 A HN 0.426 nan 8.150 nan 0.000 0.448 133 R N -0.013 120.594 120.500 0.178 0.000 3.322 133 R HA -0.154 4.186 4.340 -0.000 0.000 0.253 133 R C -0.975 175.419 176.300 0.157 0.000 0.987 133 R CA 1.082 57.288 56.100 0.176 0.000 0.666 133 R CB -2.329 28.017 30.300 0.077 0.000 1.072 133 R HN 0.639 nan 8.270 nan 0.000 0.447 134 D N -0.373 120.110 120.400 0.139 0.000 2.346 134 D HA 0.150 4.789 4.640 -0.000 0.000 0.255 134 D C 1.226 177.379 176.300 -0.244 0.000 1.276 134 D CA 0.307 54.288 54.000 -0.033 0.000 0.941 134 D CB 0.845 41.622 40.800 -0.038 0.000 1.199 134 D HN 0.187 nan 8.370 nan 0.000 0.537 135 T N 0.321 114.759 114.554 -0.193 0.000 2.746 135 T HA -0.207 4.142 4.350 -0.000 0.000 0.267 135 T C 1.493 176.033 174.700 -0.266 0.000 1.039 135 T CA 1.403 63.313 62.100 -0.318 0.000 1.142 135 T CB -0.100 68.691 68.868 -0.130 0.000 0.866 135 T HN 0.279 nan 8.240 nan 0.000 0.444 136 D N 1.180 121.484 120.400 -0.160 0.000 2.133 136 D HA -0.131 4.509 4.640 -0.000 0.000 0.195 136 D C 1.967 178.172 176.300 -0.158 0.000 0.997 136 D CA 0.968 54.890 54.000 -0.129 0.000 0.840 136 D CB -0.520 40.233 40.800 -0.078 0.000 0.947 136 D HN 0.331 nan 8.370 nan 0.000 0.452 137 L N 0.035 121.153 121.223 -0.175 0.000 2.083 137 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 137 L C 1.989 178.717 176.870 -0.238 0.000 1.083 137 L CA 1.375 56.115 54.840 -0.167 0.000 0.752 137 L CB -0.440 41.542 42.059 -0.129 0.000 0.899 137 L HN 0.151 nan 8.230 nan 0.000 0.433 138 I N -0.164 120.194 120.570 -0.354 0.000 2.163 138 I HA -0.266 3.904 4.170 -0.000 0.000 0.240 138 I C 2.488 178.422 176.117 -0.306 0.000 1.081 138 I CA 1.335 62.393 61.300 -0.404 0.000 1.353 138 I CB -1.206 36.379 38.000 -0.691 0.000 1.054 138 I HN 0.379 nan 8.210 nan 0.000 0.407 139 K N 0.939 121.181 120.400 -0.262 0.000 2.089 139 K HA -0.208 4.111 4.320 -0.000 0.000 0.210 139 K C 2.292 178.774 176.600 -0.196 0.000 1.048 139 K CA 1.641 57.812 56.287 -0.194 0.000 0.926 139 K CB -0.031 32.381 32.500 -0.147 0.000 0.714 139 K HN 0.175 nan 8.250 nan 0.000 0.448 140 R N 0.033 120.416 120.500 -0.194 0.000 2.115 140 R HA -0.011 4.329 4.340 -0.000 0.000 0.226 140 R C 2.288 178.426 176.300 -0.271 0.000 1.100 140 R CA 1.284 57.274 56.100 -0.183 0.000 0.980 140 R CB -0.172 30.053 30.300 -0.125 0.000 0.875 140 R HN 0.291 nan 8.270 nan 0.000 0.445 141 I N -0.268 120.082 120.570 -0.367 0.000 2.315 141 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 141 I C 2.442 178.223 176.117 -0.561 0.000 1.117 141 I CA 1.306 62.209 61.300 -0.662 0.000 1.404 141 I CB -0.526 37.023 38.000 -0.752 0.000 1.071 141 I HN 0.288 nan 8.210 nan 0.000 0.419 142 G N 0.178 108.759 108.800 -0.364 0.000 2.422 142 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.218 142 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.218 142 G C 1.570 176.307 174.900 -0.272 0.000 1.146 142 G CA 0.371 45.305 45.100 -0.277 0.000 0.769 142 G HN 0.400 nan 8.290 nan 0.000 0.547 143 Q N 0.132 119.774 119.800 -0.264 0.000 2.119 143 Q HA 0.112 4.452 4.340 -0.000 0.000 0.201 143 Q C 2.940 178.716 176.000 -0.374 0.000 0.972 143 Q CA 1.133 56.779 55.803 -0.262 0.000 0.847 143 Q CB -0.188 28.427 28.738 -0.206 0.000 0.903 143 Q HN 0.476 nan 8.270 nan 0.000 0.433 144 A N 0.399 122.953 122.820 -0.443 0.000 1.929 144 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 144 A C 2.196 179.417 177.584 -0.605 0.000 1.176 144 A CA 1.613 53.231 52.037 -0.699 0.000 0.628 144 A CB -0.662 17.975 19.000 -0.606 0.000 0.816 144 A HN 0.284 nan 8.150 nan 0.000 0.444 145 T N 0.465 114.761 114.554 -0.431 0.000 2.737 145 T HA 0.011 4.361 4.350 -0.000 0.000 0.265 145 T C 2.258 176.785 174.700 -0.289 0.000 1.038 145 T CA 1.441 63.358 62.100 -0.305 0.000 1.144 145 T CB -0.512 68.181 68.868 -0.292 0.000 0.866 145 T HN 0.578 nan 8.240 nan 0.000 0.434 146 A N 1.892 124.544 122.820 -0.281 0.000 1.927 146 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 146 A C 2.268 179.708 177.584 -0.241 0.000 1.185 146 A CA 1.922 53.825 52.037 -0.223 0.000 0.639 146 A CB -0.520 18.375 19.000 -0.176 0.000 0.820 146 A HN 0.476 nan 8.150 nan 0.000 0.451 147 K N -0.662 119.496 120.400 -0.404 0.000 2.062 147 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 147 K C 2.030 178.530 176.600 -0.167 0.000 1.051 147 K CA 1.365 57.313 56.287 -0.565 0.000 0.941 147 K CB -0.134 31.628 32.500 -1.230 0.000 0.719 147 K HN 0.604 nan 8.250 nan 0.000 0.440 148 E N 0.445 120.548 120.200 -0.161 0.000 2.072 148 E HA -0.146 4.204 4.350 -0.000 0.000 0.191 148 E C 2.102 178.732 176.600 0.050 0.000 0.985 148 E CA 1.081 57.491 56.400 0.017 0.000 0.801 148 E CB -0.010 29.695 29.700 0.008 0.000 0.750 148 E HN 0.047 nan 8.360 nan 0.000 0.452 149 V N 1.848 121.671 119.914 -0.151 0.000 2.237 149 V HA -0.290 3.830 4.120 -0.000 0.000 0.245 149 V C 2.504 178.508 176.094 -0.150 0.000 1.046 149 V CA 1.961 64.010 62.300 -0.418 0.000 1.007 149 V CB -0.922 30.578 31.823 -0.539 0.000 0.638 149 V HN 0.291 nan 8.190 nan 0.000 0.445 150 A N 0.171 122.980 122.820 -0.019 0.000 1.927 150 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 150 A C 2.399 180.104 177.584 0.202 0.000 1.185 150 A CA 2.477 54.599 52.037 0.142 0.000 0.639 150 A CB -0.952 18.204 19.000 0.260 0.000 0.820 150 A HN 0.671 nan 8.150 nan 0.000 0.451 151 A N -0.635 122.336 122.820 0.252 0.000 2.076 151 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 151 A C 2.176 179.835 177.584 0.125 0.000 1.160 151 A CA 2.301 54.484 52.037 0.244 0.000 0.653 151 A CB -1.087 18.091 19.000 0.297 0.000 0.801 151 A HN 0.906 nan 8.150 nan 0.000 0.455 152 T N -4.845 109.734 114.554 0.041 0.000 3.086 152 T HA 0.425 4.775 4.350 -0.000 0.000 0.250 152 T C 1.184 175.973 174.700 0.148 0.000 1.074 152 T CA 0.954 63.055 62.100 0.001 0.000 0.988 152 T CB 0.085 68.728 68.868 -0.374 0.000 0.988 152 T HN 1.701 nan 8.240 nan 0.000 0.530 153 G N 1.403 110.295 108.800 0.154 0.000 2.149 153 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.235 153 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.235 153 G C -0.142 174.894 174.900 0.226 0.000 1.018 153 G CA -0.064 45.182 45.100 0.244 0.000 0.728 153 G HN 0.653 nan 8.290 nan 0.000 0.508 154 I N -0.298 120.276 120.570 0.007 0.000 2.377 154 I HA 0.403 4.573 4.170 -0.000 0.000 0.293 154 I C 1.069 177.123 176.117 -0.105 0.000 0.987 154 I CA -0.869 60.353 61.300 -0.129 0.000 1.185 154 I CB 1.651 39.341 38.000 -0.517 0.000 1.341 154 I HN 0.076 nan 8.210 nan 0.000 0.455 155 E N 4.000 124.126 120.200 -0.123 0.000 2.276 155 E HA -0.013 4.337 4.350 -0.000 0.000 0.193 155 E C -0.707 175.752 176.600 -0.235 0.000 0.983 155 E CA 0.458 56.640 56.400 -0.363 0.000 0.861 155 E CB 0.335 29.537 29.700 -0.830 0.000 0.817 155 E HN 0.509 nan 8.360 nan 0.000 0.485 156 W N 1.583 122.693 121.300 -0.317 0.000 2.619 156 W HA 0.491 5.151 4.660 -0.000 0.000 0.327 156 W C -1.258 175.076 176.519 -0.308 0.000 1.027 156 W CA -1.746 55.474 57.345 -0.208 0.000 1.233 156 W CB 1.254 30.700 29.460 -0.023 0.000 1.370 156 W HN -0.180 nan 8.180 nan 0.000 0.453 157 S N 5.060 120.773 115.700 0.022 0.000 2.561 157 S HA 0.602 5.072 4.470 -0.000 0.000 0.303 157 S C -0.899 173.659 174.600 -0.069 0.000 1.110 157 S CA -0.718 57.293 58.200 -0.315 0.000 1.034 157 S CB 0.549 63.587 63.200 -0.270 0.000 1.010 157 S HN 0.328 nan 8.310 nan 0.000 0.482 158 F N 2.728 122.564 119.950 -0.189 0.000 2.462 158 F HA 0.574 5.101 4.527 -0.000 0.000 0.360 158 F C 0.999 176.716 175.800 -0.139 0.000 1.134 158 F CA -0.011 57.901 58.000 -0.147 0.000 1.148 158 F CB 0.055 38.934 39.000 -0.203 0.000 1.147 158 F HN 1.019 nan 8.300 nan 0.000 0.550 159 A N 4.829 127.699 122.820 0.084 0.000 2.574 159 A HA 0.509 4.829 4.320 -0.000 0.000 0.298 159 A C -3.041 174.543 177.584 -0.000 0.000 0.987 159 A CA -1.317 50.716 52.037 -0.008 0.000 0.678 159 A CB 1.041 20.016 19.000 -0.041 0.000 1.296 159 A HN 0.297 nan 8.150 nan 0.000 0.420 160 P HA 0.443 nan 4.420 nan 0.000 0.276 160 P C -0.296 176.943 177.300 -0.103 0.000 1.252 160 P CA 0.116 63.205 63.100 -0.018 0.000 0.802 160 P CB 0.632 32.382 31.700 0.083 0.000 1.035 161 T N 0.449 114.913 114.554 -0.149 0.000 2.806 161 T HA 0.283 4.633 4.350 -0.000 0.000 0.290 161 T C 0.961 175.570 174.700 -0.151 0.000 0.966 161 T CA -0.312 61.676 62.100 -0.187 0.000 1.060 161 T CB 0.359 69.109 68.868 -0.198 0.000 0.927 161 T HN 0.331 nan 8.240 nan 0.000 0.485 162 V N -0.152 119.696 119.914 -0.109 0.000 3.159 162 V HA 0.656 4.776 4.120 -0.000 0.000 0.333 162 V C 0.866 176.977 176.094 0.029 0.000 1.424 162 V CA -0.878 61.380 62.300 -0.069 0.000 1.125 162 V CB -0.757 30.896 31.823 -0.283 0.000 1.075 162 V HN 0.921 nan 8.190 nan 0.000 0.482 163 A N 0.592 123.482 122.820 0.116 0.000 2.540 163 A HA 0.521 4.841 4.320 -0.000 0.000 0.239 163 A C 0.104 177.815 177.584 0.212 0.000 1.061 163 A CA 0.349 52.526 52.037 0.234 0.000 0.758 163 A CB 0.343 19.592 19.000 0.416 0.000 0.991 163 A HN 0.810 nan 8.150 nan 0.000 0.502 164 V N 4.824 124.879 119.914 0.235 0.000 2.275 164 V HA 0.321 4.441 4.120 -0.000 0.000 0.272 164 V C 0.256 176.491 176.094 0.235 0.000 1.028 164 V CA -0.455 61.935 62.300 0.150 0.000 0.810 164 V CB 0.751 32.581 31.823 0.013 0.000 1.043 164 V HN 0.852 nan 8.190 nan 0.000 0.453 165 V N 6.393 126.489 119.914 0.303 0.000 2.546 165 V HA 0.554 4.674 4.120 -0.000 0.000 0.284 165 V C 0.863 177.163 176.094 0.344 0.000 1.050 165 V CA -0.031 62.514 62.300 0.409 0.000 0.981 165 V CB 1.428 33.649 31.823 0.663 0.000 0.990 165 V HN 0.784 nan 8.190 nan 0.000 0.474 166 R N 2.957 123.622 120.500 0.274 0.000 2.316 166 R HA 0.358 4.698 4.340 -0.000 0.000 0.201 166 R C -0.201 176.236 176.300 0.228 0.000 0.888 166 R CA 0.124 56.351 56.100 0.211 0.000 1.041 166 R CB 0.180 30.577 30.300 0.162 0.000 1.115 166 R HN 0.859 nan 8.270 nan 0.000 0.559 167 D N 0.724 121.264 120.400 0.232 0.000 2.620 167 D HA 0.140 4.780 4.640 -0.000 0.000 0.252 167 D C -0.408 176.055 176.300 0.271 0.000 1.207 167 D CA -0.261 53.875 54.000 0.226 0.000 0.884 167 D CB 1.551 42.439 40.800 0.147 0.000 1.262 167 D HN -0.259 nan 8.370 nan 0.000 0.552 168 D N 2.346 122.905 120.400 0.266 0.000 2.363 168 D HA 0.029 4.669 4.640 -0.000 0.000 0.226 168 D C 1.596 178.016 176.300 0.199 0.000 1.020 168 D CA 0.252 54.387 54.000 0.225 0.000 0.892 168 D CB 0.291 41.183 40.800 0.154 0.000 0.900 168 D HN 0.403 nan 8.370 nan 0.000 0.531 169 R N -0.484 120.137 120.500 0.203 0.000 2.285 169 R HA -0.075 4.265 4.340 -0.000 0.000 0.213 169 R C 0.492 176.895 176.300 0.172 0.000 1.068 169 R CA -0.011 56.171 56.100 0.137 0.000 1.004 169 R CB -0.019 30.311 30.300 0.050 0.000 0.873 169 R HN 0.143 nan 8.270 nan 0.000 0.467 170 W N 1.283 122.592 121.300 0.015 0.000 2.308 170 W HA 0.082 4.742 4.660 -0.000 0.000 0.324 170 W C 1.180 177.701 176.519 0.003 0.000 1.387 170 W CA -0.724 56.629 57.345 0.013 0.000 1.250 170 W CB 0.435 29.920 29.460 0.042 0.000 1.257 170 W HN 0.061 nan 8.180 nan 0.000 0.554 171 G N 4.814 113.547 108.800 -0.112 0.000 2.586 171 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.215 171 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.215 171 G C 1.100 175.726 174.900 -0.456 0.000 1.128 171 G CA 0.307 45.255 45.100 -0.255 0.000 0.774 171 G HN 0.553 nan 8.290 nan 0.000 0.543 172 R N -0.383 119.388 120.500 -1.216 0.000 2.613 172 R HA 0.177 4.517 4.340 -0.000 0.000 0.361 172 R C 1.567 177.188 176.300 -1.132 0.000 1.072 172 R CA 0.036 55.290 56.100 -1.410 0.000 1.089 172 R CB 0.187 29.443 30.300 -1.739 0.000 1.343 172 R HN 0.083 nan 8.270 nan 0.000 0.571 173 T N 0.859 115.077 114.554 -0.560 0.000 2.720 173 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 173 T C 1.502 176.063 174.700 -0.231 0.000 1.037 173 T CA 1.697 63.694 62.100 -0.171 0.000 1.144 173 T CB -0.254 68.581 68.868 -0.055 0.000 0.864 173 T HN 0.523 nan 8.240 nan 0.000 0.444 174 Y N 1.533 121.698 120.300 -0.225 0.000 2.497 174 Y HA 0.160 4.710 4.550 -0.000 0.000 0.292 174 Y C 1.728 177.495 175.900 -0.222 0.000 1.137 174 Y CA 0.333 58.293 58.100 -0.234 0.000 1.285 174 Y CB -0.838 37.453 38.460 -0.282 0.000 0.991 174 Y HN 0.245 nan 8.280 nan 0.000 0.556 175 E N 0.711 120.585 120.200 -0.543 0.000 2.478 175 E HA -0.026 4.324 4.350 -0.000 0.000 0.198 175 E C 0.526 176.985 176.600 -0.235 0.000 1.046 175 E CA 0.547 56.732 56.400 -0.359 0.000 0.870 175 E CB 0.096 29.519 29.700 -0.462 0.000 0.818 175 E HN 0.354 nan 8.360 nan 0.000 0.527 176 S N -1.025 114.608 115.700 -0.112 0.000 2.593 176 S HA 0.180 4.650 4.470 -0.000 0.000 0.297 176 S C 0.319 174.948 174.600 0.047 0.000 1.112 176 S CA -0.731 57.456 58.200 -0.021 0.000 1.043 176 S CB 0.700 64.051 63.200 0.253 0.000 1.054 176 S HN 0.033 nan 8.310 nan 0.000 0.516 177 Y N 2.301 122.682 120.300 0.135 0.000 2.457 177 Y HA 0.313 4.863 4.550 0.000 0.000 0.292 177 Y C 1.514 177.424 175.900 0.017 0.000 1.125 177 Y CA 0.740 58.876 58.100 0.060 0.000 1.254 177 Y CB 0.062 38.474 38.460 -0.079 0.000 1.012 177 Y HN 0.657 nan 8.280 nan 0.000 0.555 178 S N -1.344 114.382 115.700 0.043 0.000 2.622 178 S HA 0.121 4.590 4.470 -0.000 0.000 0.275 178 S C 0.204 174.361 174.600 -0.738 0.000 1.112 178 S CA -0.363 57.526 58.200 -0.519 0.000 0.837 178 S CB 0.404 63.481 63.200 -0.204 0.000 1.082 178 S HN 0.391 nan 8.310 nan 0.000 0.456 179 E N 1.109 120.664 120.200 -1.075 0.000 2.358 179 E HA 0.032 4.382 4.350 -0.000 0.000 0.195 179 E C 0.095 176.531 176.600 -0.272 0.000 1.010 179 E CA 0.460 56.566 56.400 -0.491 0.000 0.856 179 E CB -0.064 29.441 29.700 -0.325 0.000 0.795 179 E HN 0.463 nan 8.360 nan 0.000 0.504 180 D N 1.088 121.334 120.400 -0.257 0.000 2.232 180 D HA 0.132 4.772 4.640 -0.000 0.000 0.242 180 D C -1.860 174.323 176.300 -0.194 0.000 1.093 180 D CA -2.810 51.027 54.000 -0.272 0.000 0.845 180 D CB 1.864 42.400 40.800 -0.441 0.000 1.124 180 D HN -0.272 nan 8.370 nan 0.000 0.467 181 P HA -0.079 nan 4.420 nan 0.000 0.217 181 P C 0.492 177.718 177.300 -0.124 0.000 1.150 181 P CA 0.798 63.805 63.100 -0.154 0.000 0.832 181 P CB 0.264 31.865 31.700 -0.165 0.000 0.787 182 D N -0.711 119.616 120.400 -0.122 0.000 2.178 182 D HA -0.119 4.521 4.640 -0.000 0.000 0.201 182 D C 1.991 178.241 176.300 -0.083 0.000 0.980 182 D CA 0.788 54.739 54.000 -0.082 0.000 0.842 182 D CB -0.753 40.000 40.800 -0.078 0.000 0.948 182 D HN 0.167 nan 8.370 nan 0.000 0.472 183 L N 0.472 121.627 121.223 -0.114 0.000 2.027 183 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 183 L C 2.288 178.995 176.870 -0.272 0.000 1.074 183 L CA 0.790 55.503 54.840 -0.211 0.000 0.745 183 L CB 0.002 41.930 42.059 -0.220 0.000 0.898 183 L HN -0.128 nan 8.230 nan 0.000 0.433 184 V N 0.046 119.868 119.914 -0.152 0.000 2.332 184 V HA -0.343 3.777 4.120 -0.000 0.000 0.248 184 V C 2.502 178.573 176.094 -0.038 0.000 1.055 184 V CA 2.227 64.498 62.300 -0.048 0.000 1.038 184 V CB -0.678 31.155 31.823 0.018 0.000 0.651 184 V HN 0.475 nan 8.190 nan 0.000 0.450 185 K N 0.169 120.536 120.400 -0.055 0.000 2.002 185 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 185 K C 2.377 178.986 176.600 0.016 0.000 1.048 185 K CA 1.568 57.843 56.287 -0.021 0.000 0.930 185 K CB -0.212 32.288 32.500 -0.000 0.000 0.714 185 K HN 0.287 nan 8.250 nan 0.000 0.438 186 R N -0.763 119.748 120.500 0.017 0.000 2.136 186 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 186 R C 2.408 178.782 176.300 0.124 0.000 1.131 186 R CA 2.300 58.441 56.100 0.068 0.000 0.937 186 R CB -0.641 29.708 30.300 0.082 0.000 0.863 186 R HN 0.299 nan 8.270 nan 0.000 0.435 187 Y N -0.214 119.972 120.300 -0.190 0.000 2.242 187 Y HA -0.083 4.467 4.550 -0.000 0.000 0.291 187 Y C 2.363 178.136 175.900 -0.211 0.000 1.137 187 Y CA 0.602 58.511 58.100 -0.318 0.000 1.181 187 Y CB -0.808 37.203 38.460 -0.749 0.000 0.989 187 Y HN 0.173 nan 8.280 nan 0.000 0.527 188 A N -0.166 122.681 122.820 0.045 0.000 1.898 188 A HA -0.079 4.241 4.320 -0.000 0.000 0.216 188 A C 2.656 180.239 177.584 -0.001 0.000 1.181 188 A CA 1.691 53.747 52.037 0.032 0.000 0.620 188 A CB -1.374 17.614 19.000 -0.020 0.000 0.819 188 A HN 0.432 nan 8.150 nan 0.000 0.442 189 G N -0.401 108.400 108.800 0.001 0.000 2.422 189 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.218 189 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.218 189 G C 1.348 176.239 174.900 -0.014 0.000 1.146 189 G CA 0.928 46.033 45.100 0.007 0.000 0.769 189 G HN 0.526 nan 8.290 nan 0.000 0.547 190 E N -0.180 119.989 120.200 -0.051 0.000 2.150 190 E HA -0.081 4.269 4.350 -0.000 0.000 0.193 190 E C 2.341 178.879 176.600 -0.103 0.000 0.985 190 E CA 0.800 57.142 56.400 -0.096 0.000 0.814 190 E CB -0.271 29.326 29.700 -0.171 0.000 0.752 190 E HN 0.436 nan 8.360 nan 0.000 0.466 191 M N 0.606 120.154 119.600 -0.087 0.000 2.156 191 M HA -0.075 4.405 4.480 -0.000 0.000 0.264 191 M C 2.168 178.442 176.300 -0.044 0.000 1.067 191 M CA 0.955 56.212 55.300 -0.070 0.000 1.131 191 M CB -0.322 32.274 32.600 -0.006 0.000 1.368 191 M HN -0.123 nan 8.290 nan 0.000 0.416 192 V N 0.195 120.102 119.914 -0.013 0.000 2.255 192 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 192 V C 2.450 178.557 176.094 0.022 0.000 1.051 192 V CA 2.435 64.745 62.300 0.017 0.000 1.018 192 V CB -1.545 30.304 31.823 0.044 0.000 0.641 192 V HN 0.730 nan 8.190 nan 0.000 0.445 193 T N -1.811 112.755 114.554 0.020 0.000 2.904 193 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 193 T C 1.998 176.690 174.700 -0.013 0.000 1.059 193 T CA 1.235 63.355 62.100 0.033 0.000 1.137 193 T CB -0.794 68.092 68.868 0.031 0.000 0.879 193 T HN 0.477 nan 8.240 nan 0.000 0.467 194 G N 1.732 110.501 108.800 -0.052 0.000 2.469 194 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.219 194 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.219 194 G C 1.491 176.333 174.900 -0.098 0.000 1.150 194 G CA 1.048 46.091 45.100 -0.095 0.000 0.763 194 G HN 0.592 nan 8.290 nan 0.000 0.561 195 I N -0.814 119.711 120.570 -0.075 0.000 2.494 195 I HA 0.005 4.175 4.170 -0.000 0.000 0.250 195 I C 2.740 178.830 176.117 -0.045 0.000 1.112 195 I CA 0.775 62.031 61.300 -0.073 0.000 1.438 195 I CB 0.018 37.985 38.000 -0.056 0.000 1.111 195 I HN 0.153 nan 8.210 nan 0.000 0.431 196 Q N 0.452 120.232 119.800 -0.033 0.000 2.378 196 Q HA 0.273 4.613 4.340 -0.000 0.000 0.216 196 Q C 0.593 176.535 176.000 -0.096 0.000 0.892 196 Q CA 0.369 56.126 55.803 -0.076 0.000 0.931 196 Q CB 1.155 29.842 28.738 -0.086 0.000 1.086 196 Q HN 0.514 nan 8.270 nan 0.000 0.528 197 G N 1.401 110.196 108.800 -0.009 0.000 2.707 197 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 197 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 197 G C -1.279 173.718 174.900 0.161 0.000 1.315 197 G CA -0.772 44.356 45.100 0.046 0.000 0.832 197 G HN 0.134 nan 8.290 nan 0.000 0.573 198 D N -0.321 120.171 120.400 0.153 0.000 2.302 198 D HA 0.344 4.984 4.640 -0.000 0.000 0.248 198 D C 0.986 177.423 176.300 0.228 0.000 1.094 198 D CA -0.198 53.903 54.000 0.167 0.000 0.897 198 D CB 1.820 42.668 40.800 0.080 0.000 1.200 198 D HN 0.360 nan 8.370 nan 0.000 0.429 199 V N 2.238 122.229 119.914 0.129 0.000 2.509 199 V HA 0.312 4.432 4.120 -0.000 0.000 0.297 199 V C 1.348 177.415 176.094 -0.045 0.000 1.014 199 V CA 1.229 63.455 62.300 -0.124 0.000 1.127 199 V CB 0.415 32.075 31.823 -0.272 0.000 0.925 199 V HN 0.988 nan 8.190 nan 0.000 0.480 200 G N 3.779 112.565 108.800 -0.024 0.000 4.142 200 G HA2 0.290 4.250 3.960 -0.000 0.000 0.131 200 G HA3 0.290 4.250 3.960 -0.000 0.000 0.131 200 G C 0.386 175.307 174.900 0.036 0.000 2.153 200 G CA 0.366 45.470 45.100 0.006 0.000 0.993 200 G HN 1.327 nan 8.290 nan 0.000 0.294 201 A N -0.158 122.705 122.820 0.071 0.000 2.726 201 A HA 0.496 4.816 4.320 -0.000 0.000 0.192 201 A C 0.879 178.513 177.584 0.084 0.000 1.412 201 A CA 1.591 53.670 52.037 0.070 0.000 1.073 201 A CB 0.089 19.113 19.000 0.040 0.000 1.331 201 A HN 0.647 nan 8.150 nan 0.000 0.537 202 D N -1.402 119.059 120.400 0.102 0.000 2.407 202 D HA 0.149 4.789 4.640 -0.000 0.000 0.208 202 D C 0.380 176.746 176.300 0.110 0.000 1.083 202 D CA -0.427 53.621 54.000 0.080 0.000 0.844 202 D CB -0.231 40.600 40.800 0.052 0.000 0.967 202 D HN 0.195 nan 8.370 nan 0.000 0.506 203 F N 2.504 122.461 119.950 0.012 0.000 2.473 203 F HA -0.052 4.475 4.527 -0.000 0.000 0.405 203 F C 0.624 176.444 175.800 0.033 0.000 0.988 203 F CA 0.498 58.514 58.000 0.028 0.000 1.096 203 F CB 0.074 39.092 39.000 0.029 0.000 0.944 203 F HN 0.074 nan 8.300 nan 0.000 0.530 204 L N 3.425 124.380 121.223 -0.446 0.000 3.839 204 L HA -0.354 3.986 4.340 -0.000 0.000 0.416 204 L C 0.069 176.809 176.870 -0.216 0.000 1.195 204 L CA 0.540 55.199 54.840 -0.300 0.000 0.946 204 L CB -1.839 40.011 42.059 -0.349 0.000 1.891 204 L HN 0.580 nan 8.230 nan 0.000 0.963 205 K N -0.030 120.284 120.400 -0.142 0.000 2.139 205 K HA 0.647 4.967 4.320 -0.000 0.000 0.243 205 K C 1.266 177.795 176.600 -0.120 0.000 0.983 205 K CA -0.131 56.066 56.287 -0.150 0.000 0.890 205 K CB 1.427 33.886 32.500 -0.069 0.000 1.090 205 K HN 0.078 nan 8.250 nan 0.000 0.445 206 G N 1.081 109.805 108.800 -0.127 0.000 2.685 206 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.329 206 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.329 206 G C 0.974 175.889 174.900 0.026 0.000 1.271 206 G CA 1.108 46.185 45.100 -0.040 0.000 1.003 206 G HN 0.720 nan 8.290 nan 0.000 0.549 207 S N 0.997 116.759 115.700 0.104 0.000 2.555 207 S HA 0.043 4.512 4.470 -0.000 0.000 0.230 207 S C 0.918 175.575 174.600 0.095 0.000 0.978 207 S CA 1.025 59.317 58.200 0.153 0.000 0.934 207 S CB -0.288 63.006 63.200 0.156 0.000 0.766 207 S HN 0.654 nan 8.310 nan 0.000 0.533 208 N N 3.057 121.794 118.700 0.062 0.000 2.458 208 N HA 0.174 4.914 4.740 -0.000 0.000 0.258 208 N C 0.122 175.782 175.510 0.249 0.000 1.219 208 N CA 0.287 53.377 53.050 0.068 0.000 0.902 208 N CB 0.290 38.777 38.487 -0.000 0.000 1.076 208 N HN 0.349 nan 8.380 nan 0.000 0.455 209 R N 1.301 121.896 120.500 0.157 0.000 2.782 209 R HA 0.500 4.840 4.340 -0.000 0.000 0.258 209 R C 0.267 176.601 176.300 0.057 0.000 1.055 209 R CA -0.907 55.276 56.100 0.139 0.000 1.065 209 R CB 0.866 31.168 30.300 0.003 0.000 1.172 209 R HN 0.470 nan 8.270 nan 0.000 0.510 210 I N 1.329 121.860 120.570 -0.066 0.000 2.416 210 I HA 0.201 4.371 4.170 -0.000 0.000 0.288 210 I C 0.496 176.698 176.117 0.142 0.000 1.051 210 I CA -0.035 61.245 61.300 -0.034 0.000 1.375 210 I CB 1.201 39.076 38.000 -0.209 0.000 1.407 210 I HN 0.504 nan 8.210 nan 0.000 0.516 211 A N 4.682 127.579 122.820 0.128 0.000 2.320 211 A HA 0.808 5.128 4.320 -0.000 0.000 0.334 211 A C -0.343 177.391 177.584 0.250 0.000 1.147 211 A CA -0.446 51.706 52.037 0.191 0.000 0.820 211 A CB 1.013 20.067 19.000 0.090 0.000 1.218 211 A HN 0.625 nan 8.150 nan 0.000 0.482 212 T N 1.719 116.461 114.554 0.313 0.000 2.815 212 T HA 0.573 4.923 4.350 -0.000 0.000 0.289 212 T C -0.062 174.678 174.700 0.066 0.000 1.000 212 T CA 0.036 62.273 62.100 0.228 0.000 0.958 212 T CB 1.295 70.385 68.868 0.370 0.000 0.944 212 T HN 1.050 nan 8.240 nan 0.000 0.442 213 A N 4.716 127.534 122.820 -0.003 0.000 2.347 213 A HA 0.555 4.875 4.320 -0.000 0.000 0.287 213 A C 0.403 177.959 177.584 -0.047 0.000 1.199 213 A CA -0.523 51.463 52.037 -0.085 0.000 0.851 213 A CB -0.007 18.901 19.000 -0.153 0.000 1.118 213 A HN 0.804 nan 8.150 nan 0.000 0.525 214 K N 2.732 123.027 120.400 -0.175 0.000 2.328 214 K HA 0.701 5.021 4.320 -0.000 0.000 0.246 214 K C -1.338 175.124 176.600 -0.229 0.000 0.955 214 K CA -0.840 55.269 56.287 -0.298 0.000 0.817 214 K CB 1.461 33.472 32.500 -0.815 0.000 1.208 214 K HN 0.705 nan 8.250 nan 0.000 0.432 215 H N 0.054 119.245 119.070 0.202 0.000 2.616 215 H HA 0.403 4.959 4.556 -0.000 0.000 0.353 215 H C -1.696 173.824 175.328 0.321 0.000 1.170 215 H CA -0.636 55.550 56.048 0.229 0.000 1.212 215 H CB 1.537 31.392 29.762 0.154 0.000 1.653 215 H HN 0.531 nan 8.280 nan 0.000 0.537 216 F N 2.691 122.702 119.950 0.101 0.000 2.382 216 F HA 0.538 5.065 4.527 -0.000 0.000 0.361 216 F C -1.176 174.526 175.800 -0.164 0.000 1.109 216 F CA -0.477 57.396 58.000 -0.210 0.000 1.031 216 F CB 0.514 39.145 39.000 -0.616 0.000 1.234 216 F HN 0.330 nan 8.300 nan 0.000 0.445 217 V N 4.690 124.342 119.914 -0.437 0.000 3.204 217 V HA 0.703 4.823 4.120 -0.000 0.000 0.298 217 V C 0.022 175.897 176.094 -0.365 0.000 1.328 217 V CA 0.009 61.956 62.300 -0.589 0.000 1.035 217 V CB 1.861 32.804 31.823 -1.468 0.000 1.095 217 V HN 1.035 nan 8.190 nan 0.000 0.442 218 G N 3.310 111.918 108.800 -0.320 0.000 2.132 218 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.228 218 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.228 218 G C 0.297 174.891 174.900 -0.510 0.000 1.000 218 G CA 0.681 45.448 45.100 -0.555 0.000 0.693 218 G HN 1.199 nan 8.290 nan 0.000 0.515 219 D N 0.242 120.460 120.400 -0.303 0.000 2.264 219 D HA 0.006 4.646 4.640 -0.000 0.000 0.208 219 D C 1.923 177.677 176.300 -0.910 0.000 0.966 219 D CA 1.222 54.998 54.000 -0.374 0.000 0.864 219 D CB -0.778 40.018 40.800 -0.007 0.000 0.933 219 D HN 0.766 nan 8.370 nan 0.000 0.499 220 G N -0.288 108.168 108.800 -0.574 0.000 3.371 220 G HA2 0.348 4.308 3.960 -0.000 0.000 0.248 220 G HA3 0.348 4.308 3.960 -0.000 0.000 0.248 220 G C 0.955 175.720 174.900 -0.226 0.000 1.161 220 G CA 0.049 44.881 45.100 -0.447 0.000 0.796 220 G HN 0.438 nan 8.290 nan 0.000 0.539 221 G N 0.403 108.953 108.800 -0.417 0.000 4.110 221 G HA2 0.315 4.275 3.960 -0.000 0.000 0.292 221 G HA3 0.315 4.275 3.960 -0.000 0.000 0.292 221 G C 0.591 175.387 174.900 -0.172 0.000 1.020 221 G CA 0.310 45.311 45.100 -0.165 0.000 0.808 221 G HN 0.412 nan 8.290 nan 0.000 0.474 222 T N -1.163 113.219 114.554 -0.287 0.000 2.898 222 T HA 0.343 4.693 4.350 -0.000 0.000 0.301 222 T C -0.017 174.621 174.700 -0.104 0.000 1.049 222 T CA -0.424 61.558 62.100 -0.197 0.000 1.095 222 T CB 1.800 70.505 68.868 -0.271 0.000 0.976 222 T HN -0.025 nan 8.240 nan 0.000 0.539 223 E N 1.582 121.758 120.200 -0.040 0.000 2.415 223 E HA 0.064 4.414 4.350 -0.000 0.000 0.263 223 E C 0.783 177.361 176.600 -0.036 0.000 0.995 223 E CA 0.250 56.646 56.400 -0.007 0.000 0.915 223 E CB 0.317 30.041 29.700 0.041 0.000 0.951 223 E HN 0.733 nan 8.360 nan 0.000 0.449 224 R N 1.427 121.899 120.500 -0.047 0.000 3.770 224 R HA -0.228 4.111 4.340 -0.000 0.000 0.305 224 R C 0.911 177.162 176.300 -0.081 0.000 1.184 224 R CA 0.481 56.514 56.100 -0.111 0.000 0.823 224 R CB -2.286 27.916 30.300 -0.163 0.000 1.285 224 R HN 0.904 nan 8.270 nan 0.000 0.499 225 G N -0.065 108.709 108.800 -0.042 0.000 2.379 225 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.297 225 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.297 225 G C 0.243 175.152 174.900 0.015 0.000 1.004 225 G CA 0.363 45.456 45.100 -0.011 0.000 0.921 225 G HN 0.269 nan 8.290 nan 0.000 0.511 226 V N 0.405 120.288 119.914 -0.052 0.000 2.488 226 V HA 0.234 4.354 4.120 -0.000 0.000 0.277 226 V C 0.834 176.947 176.094 0.030 0.000 1.046 226 V CA -0.493 61.809 62.300 0.003 0.000 0.986 226 V CB 1.452 33.250 31.823 -0.041 0.000 0.989 226 V HN 0.464 nan 8.190 nan 0.000 0.475 227 D N 4.516 125.072 120.400 0.261 0.000 2.493 227 D HA 0.094 4.734 4.640 -0.000 0.000 0.240 227 D C 1.054 177.447 176.300 0.154 0.000 1.142 227 D CA 0.387 54.642 54.000 0.424 0.000 0.872 227 D CB 0.186 41.306 40.800 0.533 0.000 1.173 227 D HN 0.574 nan 8.370 nan 0.000 0.467 228 R N 1.231 121.818 120.500 0.145 0.000 3.758 228 R HA -0.179 4.161 4.340 -0.000 0.000 0.299 228 R C 0.892 177.171 176.300 -0.035 0.000 1.182 228 R CA 0.540 56.659 56.100 0.032 0.000 0.809 228 R CB -2.299 27.900 30.300 -0.169 0.000 1.249 228 R HN 0.494 nan 8.270 nan 0.000 0.497 229 G N 0.749 109.525 108.800 -0.041 0.000 2.546 229 G HA2 0.194 4.154 3.960 -0.000 0.000 0.239 229 G HA3 0.194 4.154 3.960 -0.000 0.000 0.239 229 G C -0.281 174.608 174.900 -0.018 0.000 1.476 229 G CA -0.144 44.937 45.100 -0.033 0.000 1.064 229 G HN 0.173 nan 8.290 nan 0.000 0.561 230 N N -1.079 117.623 118.700 0.004 0.000 2.372 230 N HA 0.370 5.110 4.740 -0.000 0.000 0.285 230 N C -0.968 174.545 175.510 0.005 0.000 1.008 230 N CA -0.372 52.689 53.050 0.019 0.000 0.880 230 N CB 1.524 40.038 38.487 0.044 0.000 1.239 230 N HN 0.171 nan 8.380 nan 0.000 0.484 231 T N 4.444 119.017 114.554 0.030 0.000 2.811 231 T HA 0.271 4.621 4.350 -0.000 0.000 0.309 231 T C 0.283 175.071 174.700 0.147 0.000 1.005 231 T CA -0.378 61.752 62.100 0.050 0.000 0.955 231 T CB -0.173 68.693 68.868 -0.003 0.000 0.970 231 T HN 0.328 nan 8.240 nan 0.000 0.496 232 L N 5.643 126.918 121.223 0.086 0.000 2.385 232 L HA 0.563 4.903 4.340 -0.000 0.000 0.285 232 L C -0.196 176.757 176.870 0.138 0.000 1.125 232 L CA -0.054 54.830 54.840 0.073 0.000 0.890 232 L CB 0.027 42.103 42.059 0.028 0.000 1.251 232 L HN 0.600 nan 8.230 nan 0.000 0.445 233 I N 1.888 122.597 120.570 0.232 0.000 2.947 233 I HA 0.200 4.370 4.170 -0.000 0.000 0.301 233 I C -1.157 175.202 176.117 0.403 0.000 1.453 233 I CA -0.781 60.686 61.300 0.279 0.000 0.984 233 I CB 2.590 40.761 38.000 0.286 0.000 1.333 233 I HN 0.463 nan 8.210 nan 0.000 0.475 234 D N 4.036 124.607 120.400 0.285 0.000 2.398 234 D HA 0.045 4.685 4.640 -0.000 0.000 0.247 234 D C 0.468 177.024 176.300 0.427 0.000 1.227 234 D CA -0.088 54.102 54.000 0.316 0.000 0.980 234 D CB 0.879 41.781 40.800 0.170 0.000 1.106 234 D HN 0.648 nan 8.370 nan 0.000 0.493 235 E N -0.382 120.096 120.200 0.463 0.000 2.107 235 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 235 E C 1.723 178.396 176.600 0.120 0.000 0.982 235 E CA 0.574 57.218 56.400 0.407 0.000 0.809 235 E CB 0.137 30.167 29.700 0.550 0.000 0.756 235 E HN 0.371 nan 8.360 nan 0.000 0.459 236 K N -0.336 120.100 120.400 0.060 0.000 2.034 236 K HA -0.191 4.129 4.320 -0.000 0.000 0.214 236 K C 2.118 178.658 176.600 -0.099 0.000 1.051 236 K CA 1.521 57.764 56.287 -0.073 0.000 0.931 236 K CB -0.432 32.054 32.500 -0.024 0.000 0.715 236 K HN 0.204 nan 8.250 nan 0.000 0.446 237 G N 1.007 109.801 108.800 -0.010 0.000 2.432 237 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 237 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 237 G C 1.394 176.284 174.900 -0.015 0.000 1.135 237 G CA 0.422 45.514 45.100 -0.013 0.000 0.767 237 G HN 0.150 nan 8.290 nan 0.000 0.550 238 L N 0.399 121.637 121.223 0.024 0.000 2.131 238 L HA 0.107 4.447 4.340 -0.000 0.000 0.210 238 L C 2.691 179.541 176.870 -0.034 0.000 1.092 238 L CA 1.776 56.622 54.840 0.010 0.000 0.759 238 L CB -0.303 41.650 42.059 -0.176 0.000 0.903 238 L HN 0.258 nan 8.230 nan 0.000 0.435 239 R N -1.063 119.249 120.500 -0.313 0.000 2.080 239 R HA -0.086 4.254 4.340 -0.000 0.000 0.222 239 R C 1.481 177.670 176.300 -0.184 0.000 1.107 239 R CA 1.484 57.198 56.100 -0.643 0.000 0.980 239 R CB -0.116 29.347 30.300 -1.394 0.000 0.879 239 R HN 0.301 nan 8.270 nan 0.000 0.439 240 D N -0.009 120.289 120.400 -0.169 0.000 2.249 240 D HA 0.020 4.660 4.640 -0.000 0.000 0.205 240 D C 1.760 177.979 176.300 -0.134 0.000 0.962 240 D CA 0.860 54.803 54.000 -0.095 0.000 0.860 240 D CB 0.337 41.078 40.800 -0.099 0.000 0.955 240 D HN 0.334 nan 8.370 nan 0.000 0.505 241 I N -0.932 119.517 120.570 -0.202 0.000 2.947 241 I HA -0.034 4.136 4.170 -0.000 0.000 0.263 241 I C 1.319 177.194 176.117 -0.404 0.000 1.130 241 I CA 0.391 61.483 61.300 -0.346 0.000 1.448 241 I CB 0.162 37.875 38.000 -0.478 0.000 1.222 241 I HN -0.077 nan 8.210 nan 0.000 0.453 242 H N -0.904 118.107 119.070 -0.097 0.000 2.551 242 H HA 0.223 4.779 4.556 -0.000 0.000 0.271 242 H C 1.698 176.983 175.328 -0.072 0.000 0.984 242 H CA 0.182 56.179 56.048 -0.085 0.000 1.164 242 H CB 0.607 30.311 29.762 -0.096 0.000 1.437 242 H HN 0.038 nan 8.280 nan 0.000 0.550 243 S N -0.332 115.333 115.700 -0.058 0.000 2.540 243 S HA 0.183 4.653 4.470 -0.000 0.000 0.222 243 S C 2.086 176.292 174.600 -0.657 0.000 1.008 243 S CA 0.376 58.522 58.200 -0.091 0.000 0.939 243 S CB 0.545 63.839 63.200 0.157 0.000 0.865 243 S HN 0.504 nan 8.310 nan 0.000 0.499 244 A N 1.668 124.083 122.820 -0.675 0.000 1.978 244 A HA 0.021 4.341 4.320 -0.000 0.000 0.220 244 A C 2.195 179.513 177.584 -0.442 0.000 1.170 244 A CA 1.767 53.338 52.037 -0.777 0.000 0.636 244 A CB -1.233 17.588 19.000 -0.299 0.000 0.810 244 A HN 0.506 nan 8.150 nan 0.000 0.448 245 G N -1.682 106.950 108.800 -0.279 0.000 2.422 245 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.218 245 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.218 245 G C 1.413 176.156 174.900 -0.263 0.000 1.146 245 G CA 1.209 46.170 45.100 -0.232 0.000 0.769 245 G HN 0.572 nan 8.290 nan 0.000 0.547 246 Y N -0.020 120.201 120.300 -0.131 0.000 2.314 246 Y HA 0.090 4.640 4.550 -0.000 0.000 0.293 246 Y C 2.503 178.470 175.900 0.112 0.000 1.129 246 Y CA 0.398 58.487 58.100 -0.018 0.000 1.201 246 Y CB -0.276 38.226 38.460 0.071 0.000 0.999 246 Y HN 0.126 nan 8.280 nan 0.000 0.541 247 F N -0.190 119.878 119.950 0.197 0.000 2.126 247 F HA -0.260 4.266 4.527 -0.000 0.000 0.299 247 F C 2.655 178.494 175.800 0.064 0.000 1.096 247 F CA 1.209 59.279 58.000 0.118 0.000 1.255 247 F CB -1.666 37.387 39.000 0.089 0.000 0.997 247 F HN 0.079 nan 8.300 nan 0.000 0.479 248 S N -0.049 115.771 115.700 0.201 0.000 2.425 248 S HA 0.104 4.574 4.470 -0.000 0.000 0.225 248 S C 2.214 176.856 174.600 0.072 0.000 1.024 248 S CA 0.505 58.769 58.200 0.107 0.000 0.951 248 S CB -0.872 62.367 63.200 0.065 0.000 0.796 248 S HN 0.231 nan 8.310 nan 0.000 0.498 249 A N 2.174 125.018 122.820 0.040 0.000 1.877 249 A HA 0.120 4.440 4.320 -0.000 0.000 0.216 249 A C 2.200 179.839 177.584 0.091 0.000 1.186 249 A CA 1.449 53.501 52.037 0.024 0.000 0.620 249 A CB -0.852 18.098 19.000 -0.084 0.000 0.822 249 A HN 0.540 nan 8.150 nan 0.000 0.443 250 I N -0.283 120.363 120.570 0.127 0.000 2.252 250 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 250 I C 2.367 178.547 176.117 0.104 0.000 1.102 250 I CA 1.529 62.922 61.300 0.155 0.000 1.385 250 I CB -0.387 37.706 38.000 0.155 0.000 1.064 250 I HN 0.445 nan 8.210 nan 0.000 0.414 251 N N 0.658 119.405 118.700 0.079 0.000 2.104 251 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 251 N C 1.733 177.265 175.510 0.037 0.000 1.024 251 N CA 1.326 54.397 53.050 0.035 0.000 0.853 251 N CB 0.046 38.561 38.487 0.046 0.000 1.008 251 N HN 0.207 nan 8.380 nan 0.000 0.424 252 Q N -0.536 119.304 119.800 0.066 0.000 2.482 252 Q HA 0.158 4.498 4.340 -0.000 0.000 0.209 252 Q C 0.668 176.750 176.000 0.138 0.000 0.961 252 Q CA 0.773 56.625 55.803 0.082 0.000 0.945 252 Q CB -0.135 28.655 28.738 0.087 0.000 1.012 252 Q HN 0.499 nan 8.270 nan 0.000 0.515 253 G N 1.053 109.936 108.800 0.138 0.000 2.248 253 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.263 253 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.263 253 G C 0.031 175.128 174.900 0.328 0.000 1.082 253 G CA 0.285 45.504 45.100 0.198 0.000 0.863 253 G HN 0.302 nan 8.290 nan 0.000 0.495 254 V N 0.142 120.214 119.914 0.262 0.000 2.694 254 V HA 0.163 4.283 4.120 -0.000 0.000 0.306 254 V C 1.642 177.931 176.094 0.326 0.000 1.054 254 V CA 0.857 63.297 62.300 0.233 0.000 1.161 254 V CB 1.394 33.298 31.823 0.134 0.000 0.916 254 V HN 0.503 nan 8.190 nan 0.000 0.490 255 Q N 3.350 123.287 119.800 0.228 0.000 2.187 255 Q HA 0.106 4.446 4.340 -0.000 0.000 0.199 255 Q C 0.896 176.972 176.000 0.126 0.000 0.957 255 Q CA 1.122 57.039 55.803 0.190 0.000 0.857 255 Q CB 0.222 29.029 28.738 0.115 0.000 0.929 255 Q HN 0.775 nan 8.270 nan 0.000 0.453 256 S N -0.914 114.800 115.700 0.022 0.000 2.570 256 S HA 0.635 5.105 4.470 -0.000 0.000 0.286 256 S C -1.363 173.150 174.600 -0.146 0.000 1.099 256 S CA -0.680 57.342 58.200 -0.296 0.000 0.913 256 S CB 1.691 64.465 63.200 -0.711 0.000 1.085 256 S HN -0.119 nan 8.310 nan 0.000 0.480 257 V N 4.461 124.222 119.914 -0.255 0.000 2.577 257 V HA 0.499 4.619 4.120 -0.000 0.000 0.303 257 V C -0.367 175.625 176.094 -0.170 0.000 1.042 257 V CA -0.607 61.515 62.300 -0.297 0.000 0.872 257 V CB 1.798 33.165 31.823 -0.760 0.000 0.998 257 V HN 0.963 nan 8.190 nan 0.000 0.423 258 M N 4.473 124.022 119.600 -0.085 0.000 2.157 258 M HA 0.721 5.201 4.480 -0.000 0.000 0.354 258 M C 0.303 176.607 176.300 0.006 0.000 1.170 258 M CA -0.324 54.940 55.300 -0.060 0.000 1.060 258 M CB 1.230 33.764 32.600 -0.111 0.000 1.615 258 M HN 0.823 nan 8.290 nan 0.000 0.460 259 A N 3.434 126.196 122.820 -0.096 0.000 2.366 259 A HA 0.542 4.862 4.320 -0.000 0.000 0.249 259 A C -0.107 177.444 177.584 -0.056 0.000 1.084 259 A CA -0.330 51.566 52.037 -0.236 0.000 0.794 259 A CB 0.219 18.754 19.000 -0.775 0.000 1.034 259 A HN 0.884 nan 8.150 nan 0.000 0.491 260 S N -0.302 115.408 115.700 0.015 0.000 2.549 260 S HA 0.582 5.052 4.470 -0.000 0.000 0.297 260 S C 0.215 174.964 174.600 0.248 0.000 1.115 260 S CA -0.499 57.774 58.200 0.120 0.000 1.059 260 S CB 0.624 63.879 63.200 0.090 0.000 1.046 260 S HN 0.424 nan 8.310 nan 0.000 0.506 261 F N 2.118 122.182 119.950 0.190 0.000 2.216 261 F HA -0.020 4.507 4.527 -0.000 0.000 0.300 261 F C 1.441 177.271 175.800 0.049 0.000 1.085 261 F CA 0.951 59.006 58.000 0.091 0.000 1.326 261 F CB -0.979 38.039 39.000 0.030 0.000 1.027 261 F HN 0.778 nan 8.300 nan 0.000 0.497 262 N N -0.597 118.226 118.700 0.205 0.000 2.371 262 N HA 0.123 4.863 4.740 -0.000 0.000 0.243 262 N C -0.367 175.205 175.510 0.103 0.000 1.287 262 N CA -0.188 52.914 53.050 0.087 0.000 0.911 262 N CB 0.426 38.897 38.487 -0.026 0.000 1.142 262 N HN -0.141 nan 8.380 nan 0.000 0.451 263 S N -0.785 114.961 115.700 0.078 0.000 2.608 263 S HA 0.332 4.802 4.470 -0.000 0.000 0.291 263 S C -1.434 173.266 174.600 0.166 0.000 1.146 263 S CA -0.654 57.612 58.200 0.110 0.000 1.043 263 S CB 0.279 63.518 63.200 0.065 0.000 1.037 263 S HN 0.672 nan 8.310 nan 0.000 0.520 264 W N 3.256 124.545 121.300 -0.018 0.000 2.411 264 W HA 0.424 5.084 4.660 0.000 0.000 0.317 264 W C -0.604 175.910 176.519 -0.009 0.000 1.030 264 W CA -1.011 56.320 57.345 -0.023 0.000 1.239 264 W CB -0.202 29.248 29.460 -0.016 0.000 1.304 264 W HN 0.727 nan 8.180 nan 0.000 0.437 265 N N 4.441 122.961 118.700 -0.299 0.000 2.699 265 N HA -0.194 4.546 4.740 -0.000 0.000 0.256 265 N C 0.970 176.339 175.510 -0.235 0.000 0.993 265 N CA 2.195 55.033 53.050 -0.353 0.000 0.759 265 N CB -1.352 36.770 38.487 -0.609 0.000 0.906 265 N HN 1.313 nan 8.380 nan 0.000 0.541 266 G N -1.476 107.249 108.800 -0.126 0.000 2.176 266 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.253 266 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.253 266 G C 0.002 174.872 174.900 -0.051 0.000 0.979 266 G CA 0.708 45.751 45.100 -0.094 0.000 0.641 266 G HN 0.651 nan 8.290 nan 0.000 0.530 267 K N 0.879 121.260 120.400 -0.031 0.000 2.307 267 K HA 0.466 4.786 4.320 -0.000 0.000 0.263 267 K C 0.472 177.133 176.600 0.102 0.000 0.973 267 K CA -1.035 55.269 56.287 0.028 0.000 0.846 267 K CB 0.544 33.057 32.500 0.021 0.000 1.100 267 K HN 0.054 nan 8.250 nan 0.000 0.438 268 R N 2.828 123.393 120.500 0.108 0.000 2.538 268 R HA -0.019 4.321 4.340 -0.000 0.000 0.282 268 R C 1.090 177.504 176.300 0.191 0.000 1.009 268 R CA 0.061 56.256 56.100 0.157 0.000 1.063 268 R CB 0.514 30.917 30.300 0.172 0.000 0.945 268 R HN 0.510 nan 8.270 nan 0.000 0.414 269 V N 3.046 123.081 119.914 0.201 0.000 2.343 269 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 269 V C 1.682 177.859 176.094 0.139 0.000 1.051 269 V CA 1.816 64.209 62.300 0.155 0.000 1.036 269 V CB -0.690 31.178 31.823 0.076 0.000 0.654 269 V HN 0.743 nan 8.190 nan 0.000 0.451 270 H N 0.076 119.212 119.070 0.110 0.000 2.518 270 H HA -0.045 4.511 4.556 -0.000 0.000 0.292 270 H C 1.994 177.390 175.328 0.114 0.000 1.068 270 H CA 1.446 57.560 56.048 0.110 0.000 1.275 270 H CB -0.154 29.684 29.762 0.126 0.000 1.375 270 H HN 0.478 nan 8.280 nan 0.000 0.563 271 G N -1.244 107.683 108.800 0.212 0.000 3.324 271 G HA2 -0.043 3.917 3.960 -0.000 0.000 0.251 271 G HA3 -0.043 3.917 3.960 -0.000 0.000 0.251 271 G C -0.261 174.717 174.900 0.129 0.000 1.072 271 G CA -0.233 44.961 45.100 0.156 0.000 0.787 271 G HN 0.195 nan 8.290 nan 0.000 0.537 272 D N 1.019 121.503 120.400 0.138 0.000 2.428 272 D HA 0.170 4.810 4.640 -0.000 0.000 0.221 272 D C 1.092 177.470 176.300 0.131 0.000 1.123 272 D CA -0.310 53.784 54.000 0.156 0.000 0.869 272 D CB 1.277 42.206 40.800 0.215 0.000 1.032 272 D HN 0.104 nan 8.370 nan 0.000 0.506 273 K N 2.885 123.358 120.400 0.122 0.000 2.148 273 K HA -0.222 4.098 4.320 -0.000 0.000 0.204 273 K C 1.650 178.306 176.600 0.093 0.000 1.050 273 K CA 0.926 57.267 56.287 0.091 0.000 0.942 273 K CB 0.033 32.582 32.500 0.083 0.000 0.724 273 K HN 0.468 nan 8.250 nan 0.000 0.446 274 H N 0.465 119.574 119.070 0.065 0.000 2.353 274 H HA -0.064 4.492 4.556 -0.000 0.000 0.300 274 H C 1.785 177.113 175.328 0.002 0.000 1.090 274 H CA 1.869 57.952 56.048 0.058 0.000 1.327 274 H CB -0.045 29.794 29.762 0.128 0.000 1.383 274 H HN 0.122 nan 8.280 nan 0.000 0.508 275 L N -0.513 120.691 121.223 -0.031 0.000 2.044 275 L HA -0.096 4.244 4.340 -0.000 0.000 0.205 275 L C 2.383 179.207 176.870 -0.076 0.000 1.075 275 L CA 0.980 55.750 54.840 -0.117 0.000 0.747 275 L CB -0.221 41.850 42.059 0.019 0.000 0.903 275 L HN 0.314 nan 8.230 nan 0.000 0.435 276 L N -1.534 119.663 121.223 -0.043 0.000 2.127 276 L HA -0.067 4.273 4.340 -0.000 0.000 0.203 276 L C 2.357 179.142 176.870 -0.143 0.000 1.080 276 L CA 1.012 55.787 54.840 -0.109 0.000 0.768 276 L CB -0.565 41.465 42.059 -0.049 0.000 0.924 276 L HN 0.226 nan 8.230 nan 0.000 0.444 277 T N -1.693 112.805 114.554 -0.095 0.000 2.898 277 T HA -0.108 4.242 4.350 -0.000 0.000 0.241 277 T C 1.403 176.031 174.700 -0.120 0.000 1.024 277 T CA 0.897 62.951 62.100 -0.076 0.000 1.174 277 T CB -0.145 68.709 68.868 -0.024 0.000 0.873 277 T HN 0.150 nan 8.240 nan 0.000 0.422 278 D N 0.852 121.163 120.400 -0.148 0.000 2.123 278 D HA -0.088 4.552 4.640 -0.000 0.000 0.196 278 D C 2.015 178.136 176.300 -0.297 0.000 0.992 278 D CA 0.894 54.784 54.000 -0.183 0.000 0.833 278 D CB -0.228 40.475 40.800 -0.161 0.000 0.954 278 D HN 0.134 nan 8.370 nan 0.000 0.455 279 V N 0.026 119.645 119.914 -0.492 0.000 2.283 279 V HA -0.075 4.045 4.120 -0.000 0.000 0.239 279 V C 2.338 178.173 176.094 -0.432 0.000 1.035 279 V CA 1.104 63.011 62.300 -0.655 0.000 1.018 279 V CB -0.615 30.525 31.823 -1.138 0.000 0.658 279 V HN 0.213 nan 8.190 nan 0.000 0.459 280 L N 0.339 121.287 121.223 -0.459 0.000 1.976 280 L HA -0.162 4.178 4.340 -0.000 0.000 0.209 280 L C 2.379 179.132 176.870 -0.196 0.000 1.071 280 L CA 2.114 56.633 54.840 -0.534 0.000 0.746 280 L CB -0.785 40.720 42.059 -0.923 0.000 0.890 280 L HN 0.221 nan 8.230 nan 0.000 0.432 281 K N -0.822 119.510 120.400 -0.114 0.000 2.007 281 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 281 K C 1.886 178.499 176.600 0.023 0.000 1.047 281 K CA 1.413 57.700 56.287 0.001 0.000 0.937 281 K CB -0.244 32.251 32.500 -0.009 0.000 0.718 281 K HN 0.355 nan 8.250 nan 0.000 0.438 282 N N 1.002 119.697 118.700 -0.008 0.000 2.132 282 N HA -0.096 4.644 4.740 -0.000 0.000 0.187 282 N C 1.922 177.490 175.510 0.095 0.000 1.038 282 N CA 1.218 54.289 53.050 0.035 0.000 0.846 282 N CB -0.262 38.227 38.487 0.003 0.000 1.012 282 N HN 0.215 nan 8.380 nan 0.000 0.429 283 Q N 0.362 120.188 119.800 0.043 0.000 2.083 283 Q HA 0.118 4.458 4.340 -0.000 0.000 0.198 283 Q C 2.191 178.322 176.000 0.219 0.000 0.969 283 Q CA 0.682 56.559 55.803 0.124 0.000 0.838 283 Q CB 0.027 28.813 28.738 0.080 0.000 0.900 283 Q HN 0.289 nan 8.270 nan 0.000 0.436 284 L N -1.079 120.217 121.223 0.121 0.000 2.156 284 L HA 0.000 4.340 4.340 -0.000 0.000 0.208 284 L C 1.304 178.169 176.870 -0.009 0.000 1.095 284 L CA 0.893 55.796 54.840 0.105 0.000 0.770 284 L CB -0.153 41.953 42.059 0.078 0.000 0.914 284 L HN 0.512 nan 8.230 nan 0.000 0.439 285 G N -0.361 108.499 108.800 0.099 0.000 2.131 285 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.223 285 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.223 285 G C 0.110 175.040 174.900 0.050 0.000 0.990 285 G CA -0.276 44.892 45.100 0.114 0.000 0.671 285 G HN 0.158 nan 8.290 nan 0.000 0.521 286 F N 1.803 121.697 119.950 -0.095 0.000 2.571 286 F HA 0.501 5.027 4.527 -0.000 0.000 0.384 286 F C 0.942 176.716 175.800 -0.043 0.000 1.058 286 F CA -0.115 57.828 58.000 -0.095 0.000 1.200 286 F CB 1.005 39.909 39.000 -0.160 0.000 1.077 286 F HN 0.033 nan 8.300 nan 0.000 0.558 287 D N 3.436 123.531 120.400 -0.509 0.000 2.369 287 D HA 0.190 4.830 4.640 -0.000 0.000 0.211 287 D C 1.096 177.037 176.300 -0.599 0.000 1.077 287 D CA 0.555 54.312 54.000 -0.406 0.000 0.842 287 D CB 0.101 40.801 40.800 -0.167 0.000 0.947 287 D HN 0.645 nan 8.370 nan 0.000 0.509 288 G N -0.422 107.577 108.800 -1.335 0.000 2.582 288 G HA2 0.419 4.379 3.960 -0.000 0.000 0.232 288 G HA3 0.419 4.379 3.960 -0.000 0.000 0.232 288 G C -0.300 174.285 174.900 -0.526 0.000 1.458 288 G CA -0.537 44.065 45.100 -0.831 0.000 1.062 288 G HN 0.212 nan 8.290 nan 0.000 0.566 289 F N -1.839 118.056 119.950 -0.091 0.000 2.538 289 F HA 0.744 5.271 4.527 -0.000 0.000 0.325 289 F C -0.689 175.286 175.800 0.293 0.000 1.066 289 F CA -1.518 56.546 58.000 0.107 0.000 0.946 289 F CB 1.940 41.005 39.000 0.108 0.000 1.199 289 F HN 0.241 nan 8.300 nan 0.000 0.473 290 V N 4.048 124.130 119.914 0.280 0.000 2.350 290 V HA 0.401 4.521 4.120 -0.000 0.000 0.276 290 V C -0.439 175.760 176.094 0.176 0.000 1.028 290 V CA -0.849 61.519 62.300 0.112 0.000 0.860 290 V CB 1.132 32.984 31.823 0.048 0.000 0.990 290 V HN 0.819 nan 8.190 nan 0.000 0.453 291 V N 6.117 126.104 119.914 0.122 0.000 2.481 291 V HA 0.561 4.681 4.120 -0.000 0.000 0.286 291 V C 0.698 176.835 176.094 0.072 0.000 1.042 291 V CA -0.087 62.321 62.300 0.181 0.000 0.928 291 V CB 2.210 34.230 31.823 0.329 0.000 0.986 291 V HN 1.079 nan 8.190 nan 0.000 0.462 292 S N 4.779 120.546 115.700 0.111 0.000 2.600 292 S HA 0.265 4.735 4.470 -0.000 0.000 0.265 292 S C -0.090 174.595 174.600 0.141 0.000 1.325 292 S CA -0.505 57.841 58.200 0.242 0.000 1.002 292 S CB 1.102 64.459 63.200 0.263 0.000 0.921 292 S HN 0.842 nan 8.310 nan 0.000 0.554 293 D N -0.274 120.221 120.400 0.158 0.000 2.423 293 D HA 0.084 4.724 4.640 -0.000 0.000 0.255 293 D C -0.329 176.010 176.300 0.065 0.000 1.174 293 D CA -0.848 53.105 54.000 -0.079 0.000 1.008 293 D CB 0.519 40.968 40.800 -0.585 0.000 1.101 293 D HN 0.744 nan 8.370 nan 0.000 0.516 294 W N 2.617 124.015 121.300 0.163 0.000 2.900 294 W HA -0.134 4.526 4.660 -0.000 0.000 0.419 294 W C 0.060 176.816 176.519 0.394 0.000 1.205 294 W CA 0.282 57.829 57.345 0.336 0.000 1.386 294 W CB -0.963 28.767 29.460 0.451 0.000 1.491 294 W HN 0.483 nan 8.180 nan 0.000 0.549 295 N N 2.227 120.915 118.700 -0.019 0.000 2.753 295 N HA -0.257 4.483 4.740 -0.000 0.000 0.251 295 N C 1.067 176.558 175.510 -0.031 0.000 1.097 295 N CA 1.317 54.314 53.050 -0.088 0.000 0.786 295 N CB -1.414 36.999 38.487 -0.123 0.000 1.137 295 N HN 0.500 nan 8.380 nan 0.000 0.566 296 A N 0.402 123.308 122.820 0.144 0.000 2.070 296 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 296 A C 1.852 179.399 177.584 -0.061 0.000 1.159 296 A CA 1.789 53.869 52.037 0.071 0.000 0.656 296 A CB -0.725 17.742 19.000 -0.889 0.000 0.800 296 A HN 0.731 nan 8.150 nan 0.000 0.453 297 H N 0.589 119.614 119.070 -0.075 0.000 2.491 297 H HA -0.092 4.464 4.556 -0.000 0.000 0.290 297 H C 1.551 176.852 175.328 -0.044 0.000 1.050 297 H CA 1.417 57.462 56.048 -0.005 0.000 1.309 297 H CB -0.433 29.343 29.762 0.023 0.000 1.392 297 H HN 0.694 nan 8.280 nan 0.000 0.554 298 K N 0.423 120.347 120.400 -0.794 0.000 2.442 298 K HA -0.046 4.274 4.320 -0.000 0.000 0.198 298 K C 0.789 177.047 176.600 -0.570 0.000 1.042 298 K CA 0.979 56.842 56.287 -0.707 0.000 0.958 298 K CB -0.241 31.707 32.500 -0.921 0.000 0.766 298 K HN 0.167 nan 8.250 nan 0.000 0.474 299 F N 1.358 121.245 119.950 -0.106 0.000 2.746 299 F HA 0.135 4.662 4.527 -0.000 0.000 0.297 299 F C 1.034 176.815 175.800 -0.032 0.000 1.113 299 F CA -0.586 57.377 58.000 -0.062 0.000 1.367 299 F CB 0.352 39.336 39.000 -0.027 0.000 1.111 299 F HN -0.124 nan 8.300 nan 0.000 0.590 300 V N 0.924 120.919 119.914 0.135 0.000 2.614 300 V HA 0.111 4.231 4.120 -0.000 0.000 0.291 300 V C 0.640 176.763 176.094 0.048 0.000 1.049 300 V CA -0.964 61.406 62.300 0.116 0.000 1.038 300 V CB 0.894 32.812 31.823 0.159 0.000 0.980 300 V HN 0.317 nan 8.190 nan 0.000 0.481 301 E N 4.344 124.562 120.200 0.030 0.000 3.601 301 E HA -0.088 4.262 4.350 -0.000 0.000 0.255 301 E C 1.238 177.831 176.600 -0.011 0.000 0.855 301 E CA 1.084 57.477 56.400 -0.010 0.000 0.956 301 E CB -0.728 28.975 29.700 0.005 0.000 0.892 301 E HN 1.657 nan 8.360 nan 0.000 0.575 302 G N 2.774 111.549 108.800 -0.042 0.000 2.153 302 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.252 302 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.252 302 G C 0.085 174.973 174.900 -0.020 0.000 0.994 302 G CA 0.143 45.220 45.100 -0.038 0.000 0.698 302 G HN 0.601 nan 8.290 nan 0.000 0.521 303 c N 0.248 118.842 118.600 -0.010 0.000 2.562 303 c HA 0.883 5.453 4.570 -0.000 0.000 0.332 303 c C 0.131 174.204 174.090 -0.030 0.000 1.201 303 c CA 0.052 56.393 56.329 0.020 0.000 1.803 303 c CB 1.710 44.275 42.510 0.090 0.000 2.328 303 c HN 0.768 nan 8.230 nan 0.000 0.500 304 D N -0.616 119.780 120.400 -0.007 0.000 2.652 304 D HA 0.349 4.989 4.640 -0.000 0.000 0.285 304 D C 0.538 176.812 176.300 -0.044 0.000 1.173 304 D CA -0.847 53.097 54.000 -0.093 0.000 0.981 304 D CB 0.229 40.971 40.800 -0.098 0.000 1.440 304 D HN 0.245 nan 8.370 nan 0.000 0.485 305 L N -0.605 120.508 121.223 -0.183 0.000 2.089 305 L HA -0.164 4.175 4.340 -0.000 0.000 0.213 305 L C 1.461 178.450 176.870 0.199 0.000 1.079 305 L CA 1.572 56.315 54.840 -0.162 0.000 0.758 305 L CB -0.346 41.418 42.059 -0.492 0.000 0.891 305 L HN 0.502 nan 8.230 nan 0.000 0.433 306 E N -1.062 119.199 120.200 0.102 0.000 2.463 306 E HA 0.064 4.414 4.350 -0.000 0.000 0.193 306 E C 0.216 176.872 176.600 0.095 0.000 1.041 306 E CA -0.074 56.428 56.400 0.169 0.000 0.879 306 E CB 0.529 30.249 29.700 0.032 0.000 0.997 306 E HN 0.221 nan 8.360 nan 0.000 0.478 307 Q N 0.514 120.403 119.800 0.148 0.000 2.507 307 Q HA 0.132 4.472 4.340 -0.000 0.000 0.248 307 Q C -2.156 173.895 176.000 0.086 0.000 0.941 307 Q CA -0.323 55.375 55.803 -0.175 0.000 1.003 307 Q CB 1.620 30.281 28.738 -0.128 0.000 1.517 307 Q HN 0.174 nan 8.270 nan 0.000 0.443 308 c N 3.981 122.592 118.600 0.019 0.000 3.355 308 c HA 0.639 5.209 4.570 -0.000 0.000 0.287 308 c C 1.320 175.471 174.090 0.101 0.000 1.036 308 c CA 0.534 56.970 56.329 0.178 0.000 1.246 308 c CB -0.374 42.369 42.510 0.389 0.000 1.754 308 c HN 0.904 nan 8.230 nan 0.000 0.592 309 A N 1.587 124.410 122.820 0.004 0.000 1.908 309 A HA -0.248 4.072 4.320 -0.000 0.000 0.218 309 A C 2.043 179.658 177.584 0.051 0.000 1.181 309 A CA 2.392 54.431 52.037 0.004 0.000 0.627 309 A CB -0.503 18.482 19.000 -0.024 0.000 0.818 309 A HN 0.897 nan 8.150 nan 0.000 0.445 310 Q N 0.010 119.848 119.800 0.062 0.000 2.112 310 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 310 Q C 2.008 178.068 176.000 0.101 0.000 0.987 310 Q CA 2.532 58.379 55.803 0.073 0.000 0.858 310 Q CB -0.651 28.130 28.738 0.073 0.000 0.905 310 Q HN 0.568 nan 8.270 nan 0.000 0.420 311 A N 0.156 123.060 122.820 0.141 0.000 1.877 311 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 311 A C 2.167 179.829 177.584 0.130 0.000 1.186 311 A CA 1.668 53.805 52.037 0.167 0.000 0.620 311 A CB -0.786 18.355 19.000 0.235 0.000 0.822 311 A HN 0.495 nan 8.150 nan 0.000 0.443 312 I N 0.179 120.824 120.570 0.125 0.000 2.315 312 I HA -0.230 3.940 4.170 -0.000 0.000 0.248 312 I C 1.724 177.884 176.117 0.071 0.000 1.117 312 I CA 1.084 62.443 61.300 0.099 0.000 1.404 312 I CB -0.452 37.606 38.000 0.096 0.000 1.071 312 I HN 0.267 nan 8.210 nan 0.000 0.419 313 N N 1.196 119.934 118.700 0.063 0.000 2.381 313 N HA -0.075 4.665 4.740 -0.000 0.000 0.182 313 N C 1.743 177.285 175.510 0.052 0.000 1.025 313 N CA 1.276 54.356 53.050 0.050 0.000 0.888 313 N CB -0.257 38.255 38.487 0.041 0.000 0.965 313 N HN 0.356 nan 8.380 nan 0.000 0.438 314 A N -0.354 122.504 122.820 0.064 0.000 2.119 314 A HA 0.377 4.697 4.320 -0.000 0.000 0.216 314 A C 1.575 179.183 177.584 0.041 0.000 1.152 314 A CA 1.250 53.323 52.037 0.061 0.000 0.708 314 A CB -0.076 18.972 19.000 0.080 0.000 0.805 314 A HN 0.332 nan 8.150 nan 0.000 0.460 315 G N -2.209 106.617 108.800 0.044 0.000 2.273 315 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.162 315 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.162 315 G C 0.056 174.983 174.900 0.045 0.000 1.006 315 G CA -0.124 44.996 45.100 0.033 0.000 0.704 315 G HN 0.600 nan 8.290 nan 0.000 0.487 316 V N 1.651 121.600 119.914 0.058 0.000 2.673 316 V HA 0.255 4.375 4.120 -0.000 0.000 0.303 316 V C 0.970 177.119 176.094 0.093 0.000 1.046 316 V CA 0.968 63.312 62.300 0.074 0.000 1.126 316 V CB 1.317 33.200 31.823 0.099 0.000 0.934 316 V HN 0.293 nan 8.190 nan 0.000 0.487 317 D N 1.948 122.421 120.400 0.122 0.000 2.463 317 D HA 0.108 4.748 4.640 -0.000 0.000 0.237 317 D C 0.370 176.690 176.300 0.034 0.000 1.013 317 D CA 0.799 54.869 54.000 0.116 0.000 0.910 317 D CB 1.186 42.114 40.800 0.214 0.000 1.080 317 D HN 0.507 nan 8.370 nan 0.000 0.498 318 V N -0.031 119.913 119.914 0.049 0.000 2.577 318 V HA 0.435 4.555 4.120 -0.000 0.000 0.303 318 V C -0.833 175.255 176.094 -0.010 0.000 1.042 318 V CA -0.933 61.328 62.300 -0.066 0.000 0.872 318 V CB 2.292 33.915 31.823 -0.332 0.000 0.998 318 V HN -0.156 nan 8.190 nan 0.000 0.423 319 I N 6.261 126.776 120.570 -0.091 0.000 2.312 319 I HA 0.295 4.465 4.170 -0.000 0.000 0.291 319 I C 0.439 176.406 176.117 -0.250 0.000 1.031 319 I CA -0.112 61.054 61.300 -0.224 0.000 1.293 319 I CB 1.435 39.112 38.000 -0.539 0.000 1.403 319 I HN 0.857 nan 8.210 nan 0.000 0.484 320 M N 8.323 127.827 119.600 -0.160 0.000 3.011 320 M HA 0.172 4.652 4.480 -0.000 0.000 0.292 320 M C -0.867 175.284 176.300 -0.248 0.000 1.440 320 M CA -0.198 55.008 55.300 -0.157 0.000 1.552 320 M CB -0.222 32.339 32.600 -0.064 0.000 1.187 320 M HN 0.342 nan 8.290 nan 0.000 0.520 321 V N 5.874 125.592 119.914 -0.327 0.000 2.240 321 V HA 0.256 4.376 4.120 -0.000 0.000 0.265 321 V C -2.025 173.935 176.094 -0.222 0.000 1.073 321 V CA -1.349 60.784 62.300 -0.278 0.000 0.857 321 V CB -0.103 31.517 31.823 -0.337 0.000 1.114 321 V HN 0.593 nan 8.190 nan 0.000 0.469 322 P HA -0.165 nan 4.420 nan 0.000 0.216 322 P C 1.310 178.565 177.300 -0.075 0.000 1.153 322 P CA 1.414 64.302 63.100 -0.353 0.000 0.858 322 P CB 0.632 31.774 31.700 -0.930 0.000 0.789 323 E N -2.400 117.618 120.200 -0.303 0.000 2.354 323 E HA -0.023 4.327 4.350 -0.000 0.000 0.203 323 E C 0.840 177.081 176.600 -0.599 0.000 0.841 323 E CA 0.131 56.148 56.400 -0.639 0.000 1.046 323 E CB -0.034 28.913 29.700 -1.254 0.000 1.040 323 E HN 0.240 nan 8.360 nan 0.000 0.504 324 H N 0.282 119.175 119.070 -0.294 0.000 2.555 324 H HA 0.085 4.641 4.556 -0.000 0.000 0.283 324 H C 1.058 176.269 175.328 -0.196 0.000 1.037 324 H CA 0.387 56.281 56.048 -0.257 0.000 1.169 324 H CB -0.334 29.368 29.762 -0.100 0.000 1.375 324 H HN 0.279 nan 8.280 nan 0.000 0.582 325 F N 0.106 120.005 119.950 -0.086 0.000 2.154 325 F HA -0.217 4.310 4.527 -0.000 0.000 0.301 325 F C 2.049 177.836 175.800 -0.022 0.000 1.087 325 F CA 1.318 59.240 58.000 -0.130 0.000 1.274 325 F CB -0.325 38.431 39.000 -0.406 0.000 1.009 325 F HN 0.158 nan 8.300 nan 0.000 0.485 326 E N 0.856 120.812 120.200 -0.407 0.000 2.051 326 E HA -0.137 4.213 4.350 -0.000 0.000 0.192 326 E C 2.379 179.018 176.600 0.065 0.000 0.991 326 E CA 1.092 57.375 56.400 -0.195 0.000 0.799 326 E CB -0.315 29.225 29.700 -0.267 0.000 0.748 326 E HN 0.485 nan 8.360 nan 0.000 0.449 327 A N 0.135 123.009 122.820 0.089 0.000 1.929 327 A HA -0.116 4.203 4.320 -0.000 0.000 0.216 327 A C 1.940 179.615 177.584 0.151 0.000 1.176 327 A CA 0.766 52.906 52.037 0.172 0.000 0.628 327 A CB -0.719 18.354 19.000 0.120 0.000 0.816 327 A HN 0.446 nan 8.150 nan 0.000 0.444 328 F N -0.670 119.305 119.950 0.041 0.000 2.095 328 F HA -0.240 4.287 4.527 -0.000 0.000 0.298 328 F C 2.165 177.983 175.800 0.029 0.000 1.104 328 F CA 2.210 60.218 58.000 0.013 0.000 1.232 328 F CB -0.506 38.473 39.000 -0.035 0.000 0.987 328 F HN 0.418 nan 8.300 nan 0.000 0.475 329 Y N 0.279 120.659 120.300 0.133 0.000 2.081 329 Y HA -0.343 4.207 4.550 -0.000 0.000 0.280 329 Y C 2.525 178.352 175.900 -0.121 0.000 1.163 329 Y CA 2.517 60.618 58.100 0.001 0.000 1.135 329 Y CB -1.046 37.347 38.460 -0.112 0.000 0.970 329 Y HN 0.216 nan 8.280 nan 0.000 0.498 330 H N -0.553 118.568 119.070 0.084 0.000 2.353 330 H HA -0.122 4.434 4.556 -0.000 0.000 0.300 330 H C 2.005 177.237 175.328 -0.160 0.000 1.090 330 H CA 1.930 57.951 56.048 -0.044 0.000 1.327 330 H CB -0.332 29.492 29.762 0.104 0.000 1.383 330 H HN 0.491 nan 8.280 nan 0.000 0.508 331 N N -0.549 118.111 118.700 -0.067 0.000 2.166 331 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 331 N C 1.512 176.872 175.510 -0.249 0.000 1.019 331 N CA 1.599 54.549 53.050 -0.165 0.000 0.856 331 N CB 0.036 38.387 38.487 -0.226 0.000 0.993 331 N HN 0.272 nan 8.380 nan 0.000 0.426 332 T N 0.324 114.659 114.554 -0.366 0.000 2.777 332 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 332 T C 2.141 176.702 174.700 -0.231 0.000 1.040 332 T CA 0.686 62.590 62.100 -0.327 0.000 1.141 332 T CB -0.319 68.351 68.868 -0.329 0.000 0.868 332 T HN -0.001 nan 8.240 nan 0.000 0.444 333 V N 1.311 121.052 119.914 -0.288 0.000 2.287 333 V HA -0.193 3.927 4.120 -0.000 0.000 0.248 333 V C 2.507 178.524 176.094 -0.128 0.000 1.053 333 V CA 1.691 63.850 62.300 -0.235 0.000 1.027 333 V CB -0.474 31.156 31.823 -0.320 0.000 0.646 333 V HN 0.317 nan 8.190 nan 0.000 0.447 334 K N -0.088 120.248 120.400 -0.107 0.000 2.057 334 K HA -0.139 4.181 4.320 -0.000 0.000 0.206 334 K C 2.216 178.772 176.600 -0.072 0.000 1.050 334 K CA 1.270 57.516 56.287 -0.069 0.000 0.935 334 K CB -0.392 32.077 32.500 -0.052 0.000 0.715 334 K HN 0.521 nan 8.250 nan 0.000 0.439 335 Q N -0.122 119.620 119.800 -0.097 0.000 2.170 335 Q HA -0.114 4.226 4.340 -0.000 0.000 0.203 335 Q C 1.924 177.886 176.000 -0.063 0.000 0.976 335 Q CA 1.254 57.007 55.803 -0.083 0.000 0.858 335 Q CB -0.023 28.649 28.738 -0.110 0.000 0.907 335 Q HN 0.086 nan 8.270 nan 0.000 0.433 336 V N 1.395 121.268 119.914 -0.069 0.000 2.307 336 V HA -0.257 3.863 4.120 -0.000 0.000 0.245 336 V C 1.967 178.040 176.094 -0.034 0.000 1.045 336 V CA 1.812 64.084 62.300 -0.046 0.000 1.024 336 V CB -0.413 31.381 31.823 -0.049 0.000 0.651 336 V HN 0.307 nan 8.190 nan 0.000 0.449 337 K N 0.523 120.901 120.400 -0.037 0.000 2.288 337 K HA 0.077 4.397 4.320 -0.000 0.000 0.201 337 K C 2.077 178.664 176.600 -0.022 0.000 1.048 337 K CA 1.176 57.448 56.287 -0.025 0.000 0.956 337 K CB -0.237 32.249 32.500 -0.022 0.000 0.746 337 K HN 0.459 nan 8.250 nan 0.000 0.461 338 A N 0.871 123.674 122.820 -0.028 0.000 2.167 338 A HA 0.132 4.452 4.320 -0.000 0.000 0.214 338 A C 1.604 179.176 177.584 -0.020 0.000 1.151 338 A CA 1.035 53.058 52.037 -0.024 0.000 0.735 338 A CB -0.406 18.576 19.000 -0.030 0.000 0.802 338 A HN 0.414 nan 8.150 nan 0.000 0.467 339 G N -1.325 107.464 108.800 -0.020 0.000 2.159 339 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.256 339 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.256 339 G C 1.231 176.122 174.900 -0.014 0.000 0.977 339 G CA 0.925 46.017 45.100 -0.014 0.000 0.652 339 G HN 1.605 nan 8.290 nan 0.000 0.531 340 V N -1.230 118.672 119.914 -0.021 0.000 2.809 340 V HA 0.454 4.574 4.120 -0.000 0.000 0.256 340 V C 1.126 177.210 176.094 -0.017 0.000 1.080 340 V CA 1.495 63.783 62.300 -0.020 0.000 1.102 340 V CB -0.137 31.670 31.823 -0.027 0.000 0.705 340 V HN 0.482 nan 8.190 nan 0.000 0.475 341 I N 1.783 122.341 120.570 -0.021 0.000 2.406 341 I HA 0.680 4.850 4.170 -0.000 0.000 0.290 341 I C 0.474 176.587 176.117 -0.006 0.000 0.999 341 I CA -0.505 60.788 61.300 -0.011 0.000 1.124 341 I CB 1.458 39.448 38.000 -0.018 0.000 1.289 341 I HN 0.181 nan 8.210 nan 0.000 0.441 342 A N 4.699 127.520 122.820 0.002 0.000 2.477 342 A HA 0.083 4.403 4.320 -0.000 0.000 0.246 342 A C 1.181 178.769 177.584 0.006 0.000 1.078 342 A CA -0.055 51.985 52.037 0.004 0.000 0.770 342 A CB 0.249 19.254 19.000 0.009 0.000 1.011 342 A HN 0.923 nan 8.150 nan 0.000 0.494 343 E N 1.485 121.688 120.200 0.004 0.000 2.204 343 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 343 E C 1.890 178.498 176.600 0.013 0.000 0.989 343 E CA 1.338 57.742 56.400 0.007 0.000 0.824 343 E CB 0.021 29.724 29.700 0.005 0.000 0.756 343 E HN 0.898 nan 8.360 nan 0.000 0.477 344 S N -0.018 115.689 115.700 0.013 0.000 2.453 344 S HA -0.091 4.379 4.470 -0.000 0.000 0.231 344 S C 1.899 176.511 174.600 0.020 0.000 1.005 344 S CA 0.557 58.766 58.200 0.015 0.000 0.949 344 S CB -0.001 63.206 63.200 0.012 0.000 0.774 344 S HN 0.060 nan 8.310 nan 0.000 0.510 345 R N 1.229 121.741 120.500 0.021 0.000 2.093 345 R HA 0.282 4.621 4.340 -0.000 0.000 0.224 345 R C 1.794 178.114 176.300 0.034 0.000 1.101 345 R CA 0.940 57.056 56.100 0.027 0.000 0.979 345 R CB -1.185 29.131 30.300 0.026 0.000 0.877 345 R HN 0.429 nan 8.270 nan 0.000 0.441 346 I N 1.229 121.817 120.570 0.030 0.000 2.252 346 I HA -0.222 3.948 4.170 -0.000 0.000 0.245 346 I C 1.455 177.598 176.117 0.043 0.000 1.102 346 I CA 1.278 62.600 61.300 0.037 0.000 1.385 346 I CB -0.448 37.568 38.000 0.026 0.000 1.064 346 I HN 0.194 nan 8.210 nan 0.000 0.414 347 N N 0.164 118.885 118.700 0.035 0.000 2.142 347 N HA -0.217 4.523 4.740 -0.000 0.000 0.186 347 N C 1.653 177.187 175.510 0.040 0.000 1.023 347 N CA 1.603 54.675 53.050 0.036 0.000 0.852 347 N CB -0.551 37.952 38.487 0.026 0.000 0.998 347 N HN 0.406 nan 8.380 nan 0.000 0.424 348 D N 0.448 120.870 120.400 0.036 0.000 2.178 348 D HA -0.013 4.627 4.640 -0.000 0.000 0.201 348 D C 1.732 178.063 176.300 0.052 0.000 0.980 348 D CA 1.139 55.160 54.000 0.036 0.000 0.842 348 D CB 0.017 40.834 40.800 0.029 0.000 0.948 348 D HN 0.254 nan 8.370 nan 0.000 0.472 349 A N -0.348 122.509 122.820 0.062 0.000 1.872 349 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 349 A C 2.444 180.088 177.584 0.100 0.000 1.187 349 A CA 1.199 53.286 52.037 0.083 0.000 0.614 349 A CB -0.714 18.329 19.000 0.073 0.000 0.826 349 A HN 0.192 nan 8.150 nan 0.000 0.442 350 V N 0.136 120.108 119.914 0.096 0.000 2.407 350 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 350 V C 2.624 178.771 176.094 0.088 0.000 1.055 350 V CA 2.109 64.481 62.300 0.119 0.000 1.049 350 V CB -0.823 31.061 31.823 0.101 0.000 0.662 350 V HN 0.498 nan 8.190 nan 0.000 0.455 351 R N -0.232 120.305 120.500 0.062 0.000 2.080 351 R HA -0.181 4.159 4.340 -0.000 0.000 0.236 351 R C 2.565 178.889 176.300 0.040 0.000 1.137 351 R CA 1.899 58.023 56.100 0.040 0.000 0.943 351 R CB -0.341 29.976 30.300 0.029 0.000 0.846 351 R HN 0.450 nan 8.270 nan 0.000 0.431 352 R N -0.842 119.697 120.500 0.065 0.000 2.092 352 R HA -0.119 4.221 4.340 -0.000 0.000 0.231 352 R C 2.069 178.458 176.300 0.148 0.000 1.119 352 R CA 1.269 57.421 56.100 0.087 0.000 0.970 352 R CB -0.241 30.122 30.300 0.105 0.000 0.864 352 R HN 0.179 nan 8.270 nan 0.000 0.440 353 F N 0.906 120.765 119.950 -0.151 0.000 2.270 353 F HA 0.049 4.576 4.527 -0.000 0.000 0.295 353 F C 1.657 177.273 175.800 -0.306 0.000 1.087 353 F CA 0.947 58.627 58.000 -0.533 0.000 1.365 353 F CB -0.114 38.474 39.000 -0.686 0.000 1.056 353 F HN -0.131 nan 8.300 nan 0.000 0.506 354 L N -0.093 120.981 121.223 -0.249 0.000 2.093 354 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 354 L C 2.648 179.449 176.870 -0.115 0.000 1.085 354 L CA 1.247 55.952 54.840 -0.226 0.000 0.755 354 L CB -0.666 41.362 42.059 -0.051 0.000 0.904 354 L HN 0.072 nan 8.230 nan 0.000 0.435 355 R N 0.494 120.968 120.500 -0.043 0.000 2.113 355 R HA -0.249 4.091 4.340 -0.000 0.000 0.244 355 R C 2.323 178.641 176.300 0.030 0.000 1.142 355 R CA 1.893 58.002 56.100 0.016 0.000 0.953 355 R CB -0.290 30.030 30.300 0.033 0.000 0.860 355 R HN 0.361 nan 8.270 nan 0.000 0.438 356 A N 0.823 123.645 122.820 0.003 0.000 1.877 356 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 356 A C 2.001 179.552 177.584 -0.055 0.000 1.186 356 A CA 1.655 53.704 52.037 0.021 0.000 0.620 356 A CB -0.369 18.712 19.000 0.135 0.000 0.822 356 A HN 0.345 nan 8.150 nan 0.000 0.443 357 K N -0.567 119.676 120.400 -0.261 0.000 2.025 357 K HA -0.011 4.309 4.320 -0.000 0.000 0.207 357 K C 1.892 178.527 176.600 0.059 0.000 1.049 357 K CA 1.476 57.641 56.287 -0.205 0.000 0.933 357 K CB -0.384 31.837 32.500 -0.464 0.000 0.714 357 K HN 0.502 nan 8.250 nan 0.000 0.438 358 I N 0.733 121.343 120.570 0.067 0.000 2.226 358 I HA -0.267 3.903 4.170 -0.000 0.000 0.245 358 I C 2.701 178.925 176.117 0.178 0.000 1.100 358 I CA 1.119 62.537 61.300 0.197 0.000 1.374 358 I CB -0.165 37.953 38.000 0.197 0.000 1.057 358 I HN 0.138 nan 8.210 nan 0.000 0.413 359 R N -0.018 120.573 120.500 0.151 0.000 2.092 359 R HA -0.228 4.112 4.340 -0.000 0.000 0.231 359 R C 2.239 178.629 176.300 0.150 0.000 1.119 359 R CA 1.481 57.672 56.100 0.151 0.000 0.970 359 R CB -0.362 30.045 30.300 0.179 0.000 0.864 359 R HN 0.453 nan 8.270 nan 0.000 0.440 360 W N -0.139 121.152 121.300 -0.016 0.000 2.374 360 W HA -0.058 4.602 4.660 -0.000 0.000 0.288 360 W C 0.727 177.246 176.519 0.000 0.000 1.218 360 W CA 1.960 59.281 57.345 -0.040 0.000 1.245 360 W CB 0.180 29.604 29.460 -0.061 0.000 1.126 360 W HN 0.293 nan 8.180 nan 0.000 0.545 361 G N -0.659 108.216 108.800 0.126 0.000 2.148 361 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.120 361 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.120 361 G C 0.440 175.412 174.900 0.119 0.000 1.034 361 G CA -0.146 44.931 45.100 -0.037 0.000 0.710 361 G HN 0.265 nan 8.290 nan 0.000 0.495 362 V N -0.283 119.832 119.914 0.335 0.000 2.469 362 V HA -0.028 4.092 4.120 -0.000 0.000 0.251 362 V C 2.305 178.427 176.094 0.046 0.000 1.064 362 V CA 2.599 65.059 62.300 0.267 0.000 1.066 362 V CB -0.430 31.462 31.823 0.115 0.000 0.667 362 V HN 0.456 nan 8.190 nan 0.000 0.461 363 F N 0.163 120.200 119.950 0.146 0.000 2.473 363 F HA -0.019 4.508 4.527 -0.000 0.000 0.294 363 F C 2.456 178.311 175.800 0.091 0.000 1.103 363 F CA 1.430 59.494 58.000 0.106 0.000 1.442 363 F CB -0.445 38.590 39.000 0.060 0.000 1.097 363 F HN 0.328 nan 8.300 nan 0.000 0.547 364 T N -3.025 111.663 114.554 0.224 0.000 3.021 364 T HA 0.092 4.442 4.350 -0.000 0.000 0.245 364 T C 1.054 175.799 174.700 0.074 0.000 1.028 364 T CA -0.037 62.138 62.100 0.125 0.000 1.139 364 T CB -0.186 68.722 68.868 0.067 0.000 0.884 364 T HN -0.117 nan 8.240 nan 0.000 0.457 365 K N 2.464 122.888 120.400 0.040 0.000 2.336 365 K HA 0.312 4.632 4.320 -0.000 0.000 0.262 365 K C 0.834 177.468 176.600 0.057 0.000 0.992 365 K CA -0.058 56.232 56.287 0.004 0.000 0.927 365 K CB 0.589 33.053 32.500 -0.059 0.000 0.956 365 K HN 0.519 nan 8.250 nan 0.000 0.495 366 S N 0.779 116.485 115.700 0.010 0.000 2.666 366 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 366 S C -0.218 174.263 174.600 -0.198 0.000 1.149 366 S CA -0.827 57.363 58.200 -0.016 0.000 1.020 366 S CB 0.432 63.624 63.200 -0.014 0.000 1.127 366 S HN 0.598 nan 8.310 nan 0.000 0.537 367 K N 0.197 120.374 120.400 -0.372 0.000 2.469 367 K HA 0.130 4.450 4.320 -0.000 0.000 0.274 367 K C -2.198 174.192 176.600 -0.349 0.000 0.983 367 K CA -0.808 55.005 56.287 -0.790 0.000 0.974 367 K CB -0.484 31.754 32.500 -0.438 0.000 0.913 367 K HN 0.181 nan 8.250 nan 0.000 0.493 368 P HA -0.283 nan 4.420 nan 0.000 0.216 368 P C 1.280 178.612 177.300 0.054 0.000 1.154 368 P CA 2.114 65.221 63.100 0.013 0.000 0.865 368 P CB -0.022 31.768 31.700 0.150 0.000 0.789 369 S N -1.590 114.136 115.700 0.042 0.000 2.515 369 S HA 0.090 4.560 4.470 -0.000 0.000 0.231 369 S C 1.704 176.320 174.600 0.027 0.000 0.987 369 S CA 0.770 59.009 58.200 0.064 0.000 0.936 369 S CB -0.833 62.413 63.200 0.078 0.000 0.766 369 S HN 0.121 nan 8.310 nan 0.000 0.528 370 A N 0.853 123.672 122.820 -0.002 0.000 2.390 370 A HA 0.402 4.722 4.320 -0.000 0.000 0.232 370 A C 0.783 178.362 177.584 -0.008 0.000 1.233 370 A CA -0.651 51.379 52.037 -0.010 0.000 0.907 370 A CB 0.045 19.033 19.000 -0.021 0.000 0.967 370 A HN 0.437 nan 8.150 nan 0.000 0.512 371 R N 0.956 121.463 120.500 0.011 0.000 2.438 371 R HA 0.192 4.532 4.340 -0.000 0.000 0.287 371 R C -1.575 174.740 176.300 0.026 0.000 1.077 371 R CA -1.537 54.579 56.100 0.026 0.000 1.034 371 R CB 0.657 31.003 30.300 0.076 0.000 0.993 371 R HN 0.141 nan 8.270 nan 0.000 0.459 372 P HA -0.255 nan 4.420 nan 0.000 0.216 372 P C 0.778 178.107 177.300 0.048 0.000 1.150 372 P CA 1.439 64.543 63.100 0.007 0.000 0.837 372 P CB 0.130 31.840 31.700 0.017 0.000 0.786 373 E N 0.387 120.653 120.200 0.110 0.000 2.265 373 E HA -0.095 4.254 4.350 -0.000 0.000 0.196 373 E C 1.265 177.958 176.600 0.155 0.000 0.996 373 E CA 1.084 57.598 56.400 0.189 0.000 0.832 373 E CB -1.054 28.825 29.700 0.298 0.000 0.756 373 E HN 0.187 nan 8.360 nan 0.000 0.491 374 S N 1.069 116.834 115.700 0.109 0.000 2.593 374 S HA 0.050 4.520 4.470 -0.000 0.000 0.217 374 S C 0.887 175.492 174.600 0.009 0.000 0.966 374 S CA 0.094 58.350 58.200 0.094 0.000 0.914 374 S CB 0.193 63.457 63.200 0.108 0.000 0.776 374 S HN 0.223 nan 8.310 nan 0.000 0.523 375 Q N 1.126 120.877 119.800 -0.081 0.000 2.201 375 Q HA 0.179 4.519 4.340 -0.000 0.000 0.236 375 Q C -0.590 175.126 176.000 -0.474 0.000 0.857 375 Q CA 0.088 55.761 55.803 -0.217 0.000 1.025 375 Q CB 0.017 28.611 28.738 -0.239 0.000 1.124 375 Q HN 0.617 nan 8.270 nan 0.000 0.473 376 H N 1.380 120.177 119.070 -0.455 0.000 2.539 376 H HA 0.160 4.716 4.556 -0.000 0.000 0.247 376 H C -1.586 173.571 175.328 -0.285 0.000 1.363 376 H CA -1.608 54.072 56.048 -0.613 0.000 1.371 376 H CB 1.254 30.032 29.762 -1.640 0.000 1.438 376 H HN 0.010 nan 8.280 nan 0.000 0.523 377 P HA -0.175 nan 4.420 nan 0.000 0.218 377 P C 0.962 178.292 177.300 0.050 0.000 1.146 377 P CA 1.179 64.281 63.100 0.004 0.000 0.813 377 P CB 0.444 32.136 31.700 -0.013 0.000 0.778 378 Q N -2.721 117.107 119.800 0.047 0.000 2.360 378 Q HA -0.015 4.325 4.340 -0.000 0.000 0.202 378 Q C 1.625 177.748 176.000 0.204 0.000 0.915 378 Q CA 0.079 55.935 55.803 0.089 0.000 0.943 378 Q CB -0.147 28.623 28.738 0.053 0.000 1.064 378 Q HN 0.279 nan 8.270 nan 0.000 0.511 379 W N 1.224 122.552 121.300 0.047 0.000 2.381 379 W HA -0.029 4.631 4.660 -0.000 0.000 0.301 379 W C 0.978 177.540 176.519 0.072 0.000 1.205 379 W CA 0.154 57.528 57.345 0.048 0.000 1.285 379 W CB -0.511 29.007 29.460 0.097 0.000 1.133 379 W HN 0.103 nan 8.180 nan 0.000 0.521 380 L N 1.262 122.652 121.223 0.277 0.000 2.534 380 L HA 0.255 4.595 4.340 -0.000 0.000 0.271 380 L C 1.342 178.254 176.870 0.069 0.000 1.178 380 L CA 0.926 55.842 54.840 0.127 0.000 0.907 380 L CB 0.111 42.197 42.059 0.045 0.000 1.164 380 L HN 0.382 nan 8.230 nan 0.000 0.482 381 G N 3.674 112.503 108.800 0.049 0.000 2.341 381 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.292 381 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.292 381 G C 0.471 175.354 174.900 -0.028 0.000 1.021 381 G CA 0.239 45.334 45.100 -0.009 0.000 0.905 381 G HN 1.226 nan 8.290 nan 0.000 0.508 382 A N -0.410 122.377 122.820 -0.054 0.000 2.511 382 A HA 0.711 5.031 4.320 -0.000 0.000 0.242 382 A C 1.862 179.332 177.584 -0.190 0.000 1.069 382 A CA 0.956 52.867 52.037 -0.210 0.000 0.763 382 A CB 0.223 18.888 19.000 -0.557 0.000 1.001 382 A HN 1.899 nan 8.150 nan 0.000 0.498 383 A N 2.100 124.843 122.820 -0.127 0.000 1.927 383 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 383 A C 1.724 179.248 177.584 -0.099 0.000 1.185 383 A CA 2.335 54.315 52.037 -0.095 0.000 0.639 383 A CB -0.605 18.357 19.000 -0.064 0.000 0.820 383 A HN 0.894 nan 8.150 nan 0.000 0.451 384 E N -0.660 119.459 120.200 -0.135 0.000 2.150 384 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 384 E C 1.850 178.448 176.600 -0.004 0.000 0.985 384 E CA 1.356 57.703 56.400 -0.087 0.000 0.814 384 E CB -0.323 29.316 29.700 -0.102 0.000 0.752 384 E HN 0.751 nan 8.360 nan 0.000 0.466 385 H N 0.078 119.124 119.070 -0.040 0.000 2.462 385 H HA 0.131 4.687 4.556 -0.000 0.000 0.292 385 H C 1.803 177.039 175.328 -0.154 0.000 1.049 385 H CA 0.861 56.889 56.048 -0.034 0.000 1.334 385 H CB 0.034 29.779 29.762 -0.028 0.000 1.404 385 H HN 0.101 nan 8.280 nan 0.000 0.544 386 R N -0.077 120.382 120.500 -0.068 0.000 2.073 386 R HA -0.045 4.295 4.340 -0.000 0.000 0.229 386 R C 2.046 178.276 176.300 -0.116 0.000 1.120 386 R CA 1.451 57.460 56.100 -0.151 0.000 0.967 386 R CB -0.382 29.839 30.300 -0.132 0.000 0.862 386 R HN 0.216 nan 8.270 nan 0.000 0.436 387 T N 2.079 116.595 114.554 -0.063 0.000 2.759 387 T HA -0.138 4.212 4.350 -0.000 0.000 0.269 387 T C 1.774 176.461 174.700 -0.023 0.000 1.042 387 T CA 1.107 63.180 62.100 -0.045 0.000 1.140 387 T CB -0.160 68.695 68.868 -0.021 0.000 0.864 387 T HN 0.103 nan 8.240 nan 0.000 0.455 388 L N 1.056 122.298 121.223 0.031 0.000 2.109 388 L HA 0.247 4.587 4.340 -0.000 0.000 0.207 388 L C 2.551 179.504 176.870 0.139 0.000 1.086 388 L CA 1.552 56.457 54.840 0.108 0.000 0.760 388 L CB -0.814 41.373 42.059 0.215 0.000 0.910 388 L HN 0.185 nan 8.230 nan 0.000 0.437 389 A N -0.305 122.507 122.820 -0.013 0.000 1.898 389 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 389 A C 2.519 180.051 177.584 -0.087 0.000 1.181 389 A CA 1.597 53.538 52.037 -0.159 0.000 0.620 389 A CB -0.640 17.943 19.000 -0.695 0.000 0.819 389 A HN 0.484 nan 8.150 nan 0.000 0.442 390 R N -0.245 120.181 120.500 -0.123 0.000 2.091 390 R HA -0.195 4.144 4.340 -0.000 0.000 0.238 390 R C 2.220 178.429 176.300 -0.151 0.000 1.136 390 R CA 1.815 57.833 56.100 -0.137 0.000 0.959 390 R CB -0.270 29.944 30.300 -0.143 0.000 0.856 390 R HN 0.737 nan 8.270 nan 0.000 0.437 391 E N -0.290 119.840 120.200 -0.116 0.000 2.051 391 E HA -0.206 4.144 4.350 -0.000 0.000 0.192 391 E C 1.739 178.294 176.600 -0.074 0.000 0.991 391 E CA 1.282 57.607 56.400 -0.125 0.000 0.799 391 E CB -0.115 29.549 29.700 -0.061 0.000 0.748 391 E HN 0.479 nan 8.360 nan 0.000 0.449 392 A N 0.500 123.322 122.820 0.003 0.000 1.972 392 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 392 A C 2.362 179.973 177.584 0.045 0.000 1.169 392 A CA 1.254 53.323 52.037 0.054 0.000 0.635 392 A CB -0.479 18.614 19.000 0.155 0.000 0.810 392 A HN 0.221 nan 8.150 nan 0.000 0.446 393 V N -0.090 119.823 119.914 -0.001 0.000 2.270 393 V HA -0.262 3.858 4.120 -0.000 0.000 0.245 393 V C 2.595 178.667 176.094 -0.036 0.000 1.043 393 V CA 2.190 64.487 62.300 -0.004 0.000 1.014 393 V CB -0.795 30.995 31.823 -0.055 0.000 0.645 393 V HN 0.532 nan 8.190 nan 0.000 0.447 394 R N 0.006 120.425 120.500 -0.135 0.000 2.103 394 R HA -0.206 4.134 4.340 -0.000 0.000 0.242 394 R C 2.340 178.568 176.300 -0.120 0.000 1.142 394 R CA 1.695 57.666 56.100 -0.215 0.000 0.960 394 R CB -0.289 29.770 30.300 -0.402 0.000 0.858 394 R HN 0.480 nan 8.270 nan 0.000 0.439 395 K N -0.136 120.235 120.400 -0.048 0.000 2.305 395 K HA -0.018 4.302 4.320 -0.000 0.000 0.199 395 K C 2.077 178.743 176.600 0.110 0.000 1.047 395 K CA 1.164 57.463 56.287 0.020 0.000 0.976 395 K CB 0.252 32.764 32.500 0.020 0.000 0.765 395 K HN 0.167 nan 8.250 nan 0.000 0.474 396 S N 0.638 116.429 115.700 0.152 0.000 2.461 396 S HA 0.019 4.489 4.470 -0.000 0.000 0.228 396 S C 0.812 175.694 174.600 0.469 0.000 1.005 396 S CA 0.052 58.426 58.200 0.291 0.000 0.942 396 S CB -0.358 63.029 63.200 0.313 0.000 0.776 396 S HN 0.076 nan 8.310 nan 0.000 0.514 397 L N 2.670 124.081 121.223 0.312 0.000 2.367 397 L HA 0.392 4.732 4.340 -0.000 0.000 0.275 397 L C -0.636 176.467 176.870 0.388 0.000 1.129 397 L CA -0.653 54.373 54.840 0.309 0.000 0.839 397 L CB 0.884 43.083 42.059 0.232 0.000 1.133 397 L HN 0.030 nan 8.230 nan 0.000 0.453 398 V N 4.580 124.638 119.914 0.241 0.000 2.398 398 V HA 0.234 4.354 4.120 -0.000 0.000 0.286 398 V C -0.041 175.921 176.094 -0.221 0.000 1.026 398 V CA -0.592 61.770 62.300 0.104 0.000 0.868 398 V CB 1.838 33.793 31.823 0.220 0.000 0.982 398 V HN 0.444 nan 8.190 nan 0.000 0.443 399 L N 6.017 126.922 121.223 -0.531 0.000 2.295 399 L HA 0.376 4.716 4.340 -0.000 0.000 0.288 399 L C 0.672 177.240 176.870 -0.503 0.000 1.079 399 L CA 0.616 54.948 54.840 -0.845 0.000 0.830 399 L CB 0.381 41.559 42.059 -1.468 0.000 1.200 399 L HN 0.607 nan 8.230 nan 0.000 0.438 400 L N 3.263 124.206 121.223 -0.466 0.000 2.168 400 L HA 0.194 4.534 4.340 -0.000 0.000 0.203 400 L C 0.777 177.356 176.870 -0.485 0.000 1.078 400 L CA 0.469 54.910 54.840 -0.664 0.000 0.780 400 L CB -0.204 41.243 42.059 -1.019 0.000 0.939 400 L HN 0.582 nan 8.230 nan 0.000 0.451 401 K N 0.151 120.377 120.400 -0.290 0.000 2.501 401 K HA 0.281 4.601 4.320 -0.000 0.000 0.252 401 K C -1.138 175.397 176.600 -0.109 0.000 0.934 401 K CA -0.458 55.742 56.287 -0.146 0.000 0.797 401 K CB 1.672 34.118 32.500 -0.090 0.000 1.270 401 K HN -0.219 nan 8.250 nan 0.000 0.431 402 N N 3.084 121.742 118.700 -0.071 0.000 2.673 402 N HA 0.192 4.932 4.740 -0.000 0.000 0.265 402 N C -1.723 173.778 175.510 -0.014 0.000 1.709 402 N CA -0.481 52.548 53.050 -0.035 0.000 0.792 402 N CB 0.280 38.754 38.487 -0.022 0.000 1.286 402 N HN 0.573 nan 8.380 nan 0.000 0.506 403 N N 1.572 120.263 118.700 -0.014 0.000 2.454 403 N HA 0.046 4.786 4.740 -0.000 0.000 0.260 403 N C 0.113 175.616 175.510 -0.010 0.000 1.218 403 N CA 0.572 53.616 53.050 -0.010 0.000 0.904 403 N CB 0.386 38.866 38.487 -0.012 0.000 1.065 403 N HN 0.184 nan 8.380 nan 0.000 0.462 404 E N 0.241 120.435 120.200 -0.009 0.000 2.722 404 E HA -0.241 4.109 4.350 -0.000 0.000 0.265 404 E C -0.736 175.853 176.600 -0.018 0.000 1.081 404 E CA 0.862 57.254 56.400 -0.013 0.000 0.781 404 E CB -1.969 27.722 29.700 -0.015 0.000 1.372 404 E HN 0.659 nan 8.360 nan 0.000 0.423 405 S N -1.320 114.372 115.700 -0.013 0.000 3.559 405 S HA -0.268 4.202 4.470 -0.000 0.000 0.369 405 S C 1.180 175.751 174.600 -0.049 0.000 0.987 405 S CA 0.835 59.022 58.200 -0.022 0.000 1.187 405 S CB -1.591 61.592 63.200 -0.028 0.000 0.914 405 S HN 0.580 nan 8.310 nan 0.000 0.480 406 I N -0.201 120.350 120.570 -0.032 0.000 2.335 406 I HA -0.074 4.096 4.170 -0.000 0.000 0.251 406 I C 0.659 176.745 176.117 -0.052 0.000 1.129 406 I CA 1.458 62.736 61.300 -0.037 0.000 1.402 406 I CB 0.146 38.133 38.000 -0.021 0.000 1.069 406 I HN 0.413 nan 8.210 nan 0.000 0.424 407 L N 2.664 123.865 121.223 -0.037 0.000 2.325 407 L HA 0.397 4.737 4.340 -0.000 0.000 0.279 407 L C -2.198 174.385 176.870 -0.478 0.000 1.054 407 L CA -2.015 52.782 54.840 -0.072 0.000 0.804 407 L CB 0.907 43.119 42.059 0.255 0.000 1.200 407 L HN -0.062 nan 8.230 nan 0.000 0.436 408 P HA 0.221 nan 4.420 nan 0.000 0.276 408 P C -0.773 176.428 177.300 -0.166 0.000 1.244 408 P CA -0.285 62.594 63.100 -0.369 0.000 0.801 408 P CB 1.087 32.549 31.700 -0.398 0.000 1.006 409 I N 1.638 122.167 120.570 -0.069 0.000 2.315 409 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 409 I C 0.595 176.684 176.117 -0.047 0.000 1.006 409 I CA -0.887 60.383 61.300 -0.050 0.000 1.265 409 I CB 0.542 38.529 38.000 -0.021 0.000 1.387 409 I HN 0.139 nan 8.210 nan 0.000 0.475 410 K N 5.418 125.787 120.400 -0.052 0.000 2.466 410 K HA 0.042 4.362 4.320 -0.000 0.000 0.278 410 K C 1.094 177.674 176.600 -0.033 0.000 1.048 410 K CA 0.095 56.355 56.287 -0.044 0.000 1.088 410 K CB 0.267 32.741 32.500 -0.043 0.000 0.884 410 K HN 0.720 nan 8.250 nan 0.000 0.478 411 A N 2.547 125.349 122.820 -0.030 0.000 2.186 411 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 411 A C 1.815 179.384 177.584 -0.025 0.000 1.159 411 A CA 1.687 53.709 52.037 -0.026 0.000 0.680 411 A CB -0.563 18.422 19.000 -0.025 0.000 0.787 411 A HN 0.769 nan 8.150 nan 0.000 0.467 412 S N -0.733 114.952 115.700 -0.025 0.000 2.593 412 S HA 0.175 4.645 4.470 -0.000 0.000 0.217 412 S C 0.741 175.329 174.600 -0.021 0.000 0.966 412 S CA 0.249 58.436 58.200 -0.022 0.000 0.914 412 S CB -0.324 62.863 63.200 -0.022 0.000 0.776 412 S HN 0.310 nan 8.310 nan 0.000 0.523 413 S N 2.162 117.849 115.700 -0.023 0.000 2.589 413 S HA 0.217 4.687 4.470 -0.000 0.000 0.265 413 S C 0.212 174.801 174.600 -0.018 0.000 1.342 413 S CA -0.601 57.585 58.200 -0.023 0.000 1.005 413 S CB 0.375 63.559 63.200 -0.027 0.000 0.909 413 S HN 0.617 nan 8.310 nan 0.000 0.555 414 R N 1.194 121.681 120.500 -0.021 0.000 2.202 414 R HA 0.452 4.792 4.340 -0.000 0.000 0.334 414 R C -1.203 175.083 176.300 -0.024 0.000 1.036 414 R CA -0.111 55.978 56.100 -0.018 0.000 0.878 414 R CB -0.078 30.208 30.300 -0.024 0.000 1.067 414 R HN 0.558 nan 8.270 nan 0.000 0.457 415 I N 5.017 125.585 120.570 -0.004 0.000 2.474 415 I HA 0.264 4.434 4.170 -0.000 0.000 0.294 415 I C -0.932 175.199 176.117 0.022 0.000 1.005 415 I CA -1.285 60.016 61.300 0.003 0.000 1.113 415 I CB 2.037 40.048 38.000 0.019 0.000 1.289 415 I HN 0.508 nan 8.210 nan 0.000 0.436 416 L N 8.111 129.337 121.223 0.005 0.000 2.280 416 L HA 0.515 4.855 4.340 -0.000 0.000 0.287 416 L C -0.774 176.121 176.870 0.043 0.000 1.023 416 L CA -0.342 54.513 54.840 0.024 0.000 0.819 416 L CB 1.402 43.456 42.059 -0.007 0.000 1.212 416 L HN 0.288 nan 8.230 nan 0.000 0.420 417 V N 5.574 125.533 119.914 0.074 0.000 2.364 417 V HA 0.864 4.984 4.120 -0.000 0.000 0.272 417 V C 0.529 176.628 176.094 0.009 0.000 1.036 417 V CA 0.076 62.421 62.300 0.076 0.000 0.880 417 V CB 0.220 32.170 31.823 0.212 0.000 0.991 417 V HN 1.000 nan 8.190 nan 0.000 0.460 418 A N 3.644 126.472 122.820 0.013 0.000 2.486 418 A HA 1.072 5.392 4.320 -0.000 0.000 0.289 418 A C 0.190 177.783 177.584 0.014 0.000 1.176 418 A CA -0.339 51.701 52.037 0.006 0.000 0.757 418 A CB 1.642 20.655 19.000 0.021 0.000 1.337 418 A HN 2.183 nan 8.150 nan 0.000 0.423 419 G N -0.508 108.309 108.800 0.028 0.000 2.663 419 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.686 419 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.686 419 G C 0.166 175.098 174.900 0.052 0.000 1.246 419 G CA 0.116 45.250 45.100 0.056 0.000 0.795 419 G HN 0.812 nan 8.290 nan 0.000 0.627 420 K N 0.440 120.891 120.400 0.086 0.000 2.026 420 K HA -0.060 4.260 4.320 -0.000 0.000 0.208 420 K C 2.593 179.208 176.600 0.026 0.000 1.048 420 K CA 1.590 57.913 56.287 0.061 0.000 0.929 420 K CB -0.200 32.347 32.500 0.078 0.000 0.713 420 K HN 0.776 nan 8.250 nan 0.000 0.439 421 G N 0.329 109.142 108.800 0.021 0.000 2.956 421 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.207 421 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.207 421 G C 1.319 176.211 174.900 -0.014 0.000 1.162 421 G CA 0.571 45.663 45.100 -0.012 0.000 0.796 421 G HN 0.278 nan 8.290 nan 0.000 0.527 422 A N 1.156 123.976 122.820 0.001 0.000 1.883 422 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 422 A C 1.796 179.412 177.584 0.052 0.000 1.186 422 A CA 1.779 53.828 52.037 0.020 0.000 0.624 422 A CB -0.173 18.823 19.000 -0.006 0.000 0.822 422 A HN 0.408 nan 8.150 nan 0.000 0.444 423 N N -1.516 117.193 118.700 0.016 0.000 2.451 423 N HA 0.423 5.163 4.740 -0.000 0.000 0.271 423 N C -0.804 174.716 175.510 0.016 0.000 1.410 423 N CA 0.579 53.654 53.050 0.043 0.000 0.884 423 N CB 0.688 39.171 38.487 -0.008 0.000 1.332 423 N HN 0.332 nan 8.380 nan 0.000 0.498 424 A N 0.696 123.510 122.820 -0.010 0.000 2.360 424 A HA 0.447 4.767 4.320 -0.000 0.000 0.309 424 A C 0.830 178.361 177.584 -0.088 0.000 1.311 424 A CA -0.524 51.499 52.037 -0.023 0.000 0.805 424 A CB -0.027 18.964 19.000 -0.015 0.000 1.144 424 A HN 0.337 nan 8.150 nan 0.000 0.486 425 I N 1.667 122.152 120.570 -0.141 0.000 2.315 425 I HA -0.263 3.907 4.170 -0.000 0.000 0.248 425 I C 2.469 178.291 176.117 -0.491 0.000 1.117 425 I CA 1.787 62.856 61.300 -0.386 0.000 1.404 425 I CB -0.202 37.428 38.000 -0.616 0.000 1.071 425 I HN 0.934 nan 8.210 nan 0.000 0.419 426 N N 1.268 119.834 118.700 -0.224 0.000 2.137 426 N HA -0.255 4.485 4.740 -0.000 0.000 0.190 426 N C 1.924 177.372 175.510 -0.103 0.000 1.017 426 N CA 1.440 54.468 53.050 -0.036 0.000 0.859 426 N CB -0.314 38.278 38.487 0.176 0.000 1.002 426 N HN 0.269 nan 8.380 nan 0.000 0.428 427 M N 0.283 119.818 119.600 -0.107 0.000 2.156 427 M HA -0.147 4.333 4.480 -0.000 0.000 0.264 427 M C 2.495 178.701 176.300 -0.157 0.000 1.067 427 M CA 1.499 56.729 55.300 -0.116 0.000 1.131 427 M CB -0.311 32.242 32.600 -0.080 0.000 1.368 427 M HN 0.465 nan 8.290 nan 0.000 0.416 428 Q N -0.084 119.613 119.800 -0.172 0.000 2.369 428 Q HA -0.035 4.305 4.340 -0.000 0.000 0.206 428 Q C 1.634 177.540 176.000 -0.157 0.000 0.963 428 Q CA 1.377 57.083 55.803 -0.162 0.000 0.894 428 Q CB -0.149 28.494 28.738 -0.159 0.000 0.965 428 Q HN 0.457 nan 8.270 nan 0.000 0.475 429 A N 1.043 123.749 122.820 -0.191 0.000 1.997 429 A HA 0.441 4.761 4.320 -0.000 0.000 0.212 429 A C 1.289 178.853 177.584 -0.033 0.000 1.178 429 A CA 0.872 52.849 52.037 -0.100 0.000 0.698 429 A CB -0.510 18.391 19.000 -0.164 0.000 0.842 429 A HN 0.643 nan 8.150 nan 0.000 0.458 430 G N -1.421 107.283 108.800 -0.160 0.000 2.697 430 G HA2 0.181 4.141 3.960 -0.000 0.000 0.240 430 G HA3 0.181 4.141 3.960 -0.000 0.000 0.240 430 G C 0.616 175.389 174.900 -0.213 0.000 1.346 430 G CA -0.183 44.707 45.100 -0.350 0.000 0.887 430 G HN 1.445 nan 8.290 nan 0.000 0.569 431 G N -2.850 105.712 108.800 -0.396 0.000 2.684 431 G HA2 0.469 4.429 3.960 -0.000 0.000 0.255 431 G HA3 0.469 4.429 3.960 -0.000 0.000 0.255 431 G C 0.444 175.447 174.900 0.171 0.000 1.219 431 G CA 0.599 45.558 45.100 -0.236 0.000 0.901 431 G HN 1.822 nan 8.290 nan 0.000 0.548 432 W N -1.186 120.175 121.300 0.101 0.000 5.770 432 W HA -0.154 4.506 4.660 -0.000 0.000 0.389 432 W C 0.482 177.234 176.519 0.389 0.000 1.469 432 W CA 0.571 58.075 57.345 0.265 0.000 0.975 432 W CB -1.817 27.841 29.460 0.331 0.000 2.622 432 W HN 0.411 nan 8.180 nan 0.000 1.500 433 S N 0.011 115.957 115.700 0.410 0.000 2.395 433 S HA 0.467 4.937 4.470 -0.000 0.000 0.207 433 S C 0.684 175.425 174.600 0.235 0.000 1.454 433 S CA -0.068 58.369 58.200 0.394 0.000 1.211 433 S CB 1.584 65.058 63.200 0.456 0.000 1.093 433 S HN 0.364 nan 8.310 nan 0.000 0.472 434 V N 1.300 121.308 119.914 0.156 0.000 0.535 434 V HA -0.283 3.837 4.120 -0.000 0.000 0.092 434 V C 0.968 177.098 176.094 0.060 0.000 2.149 434 V CA 2.022 64.354 62.300 0.053 0.000 3.532 434 V CB -1.879 29.875 31.823 -0.115 0.000 0.823 434 V HN 0.839 nan 8.190 nan 0.000 0.859 435 S N -0.502 115.218 115.700 0.033 0.000 2.690 435 S HA 0.474 4.944 4.470 -0.000 0.000 0.291 435 S C -0.071 174.530 174.600 0.002 0.000 1.138 435 S CA 0.241 58.451 58.200 0.016 0.000 1.013 435 S CB 2.053 65.237 63.200 -0.027 0.000 1.053 435 S HN 0.725 nan 8.310 nan 0.000 0.539 436 W N 1.327 122.441 121.300 -0.310 0.000 2.329 436 W HA -0.072 4.588 4.660 -0.000 0.000 0.324 436 W C 2.251 178.389 176.519 -0.635 0.000 1.222 436 W CA 1.884 58.866 57.345 -0.605 0.000 1.270 436 W CB -0.710 28.352 29.460 -0.664 0.000 1.167 436 W HN 0.684 nan 8.180 nan 0.000 0.467 437 Q N -0.563 118.835 119.800 -0.669 0.000 2.083 437 Q HA 0.088 4.427 4.340 -0.000 0.000 0.198 437 Q C 2.100 177.838 176.000 -0.436 0.000 0.969 437 Q CA 2.135 57.444 55.803 -0.823 0.000 0.838 437 Q CB -0.876 27.368 28.738 -0.823 0.000 0.900 437 Q HN 0.581 nan 8.270 nan 0.000 0.436 438 G N -0.716 107.938 108.800 -0.243 0.000 2.213 438 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.236 438 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.236 438 G C 1.121 175.987 174.900 -0.057 0.000 0.991 438 G CA 0.810 45.854 45.100 -0.093 0.000 0.629 438 G HN 0.356 nan 8.290 nan 0.000 0.517 439 T N 0.946 115.438 114.554 -0.104 0.000 2.803 439 T HA -0.025 4.325 4.350 -0.000 0.000 0.269 439 T C 1.548 176.236 174.700 -0.020 0.000 1.052 439 T CA 1.646 63.712 62.100 -0.055 0.000 1.136 439 T CB -0.205 68.626 68.868 -0.063 0.000 0.864 439 T HN 0.473 nan 8.240 nan 0.000 0.467 440 D N 1.073 121.457 120.400 -0.027 0.000 2.328 440 D HA 0.071 4.711 4.640 -0.000 0.000 0.221 440 D C 0.107 176.408 176.300 0.001 0.000 1.072 440 D CA 0.033 54.026 54.000 -0.011 0.000 0.850 440 D CB -0.079 40.710 40.800 -0.018 0.000 0.922 440 D HN 0.264 nan 8.370 nan 0.000 0.516 441 N N 1.557 120.273 118.700 0.027 0.000 2.470 441 N HA 0.063 4.803 4.740 -0.000 0.000 0.268 441 N C 0.544 176.128 175.510 0.122 0.000 1.136 441 N CA 0.244 53.329 53.050 0.058 0.000 0.961 441 N CB 1.241 39.838 38.487 0.183 0.000 1.067 441 N HN 0.078 nan 8.380 nan 0.000 0.468 442 T N -1.476 113.133 114.554 0.091 0.000 2.923 442 T HA 0.296 4.646 4.350 -0.000 0.000 0.281 442 T C 1.087 175.926 174.700 0.232 0.000 0.995 442 T CA -0.757 61.419 62.100 0.127 0.000 0.985 442 T CB 0.994 69.903 68.868 0.069 0.000 1.114 442 T HN 0.379 nan 8.240 nan 0.000 0.548 443 N N 0.297 119.128 118.700 0.218 0.000 2.348 443 N HA -0.132 4.608 4.740 -0.000 0.000 0.185 443 N C 1.771 177.434 175.510 0.254 0.000 1.019 443 N CA 1.044 54.262 53.050 0.280 0.000 0.880 443 N CB -0.113 38.465 38.487 0.152 0.000 0.965 443 N HN 0.748 nan 8.380 nan 0.000 0.437 444 S N -0.303 115.487 115.700 0.150 0.000 2.603 444 S HA 0.020 4.490 4.470 -0.000 0.000 0.220 444 S C 0.954 175.626 174.600 0.120 0.000 0.967 444 S CA 0.404 58.677 58.200 0.121 0.000 0.920 444 S CB 0.263 63.516 63.200 0.088 0.000 0.773 444 S HN 0.140 nan 8.310 nan 0.000 0.529 445 D N 0.578 120.967 120.400 -0.018 0.000 2.355 445 D HA 0.136 4.776 4.640 -0.000 0.000 0.218 445 D C -0.758 175.230 176.300 -0.521 0.000 1.004 445 D CA 0.493 54.349 54.000 -0.241 0.000 0.880 445 D CB 0.069 40.541 40.800 -0.546 0.000 0.911 445 D HN 0.515 nan 8.370 nan 0.000 0.528 446 F N 0.754 120.710 119.950 0.010 0.000 2.550 446 F HA 0.257 4.784 4.527 -0.000 0.000 0.348 446 F C -1.571 174.140 175.800 -0.148 0.000 1.219 446 F CA -1.835 56.100 58.000 -0.107 0.000 1.203 446 F CB 1.518 40.475 39.000 -0.071 0.000 1.436 446 F HN -0.217 nan 8.300 nan 0.000 0.541 447 P HA -0.136 nan 4.420 nan 0.000 0.218 447 P C 0.258 177.509 177.300 -0.082 0.000 1.148 447 P CA 1.538 64.562 63.100 -0.128 0.000 0.822 447 P CB 0.318 31.847 31.700 -0.285 0.000 0.784 448 N N -1.047 117.591 118.700 -0.103 0.000 2.203 448 N HA 0.251 4.991 4.740 -0.000 0.000 0.207 448 N C 0.480 175.946 175.510 -0.073 0.000 1.130 448 N CA -0.374 52.626 53.050 -0.083 0.000 0.861 448 N CB 0.278 38.703 38.487 -0.104 0.000 1.005 448 N HN 0.101 nan 8.380 nan 0.000 0.507 449 A N 0.403 123.196 122.820 -0.044 0.000 2.313 449 A HA 0.543 4.863 4.320 -0.000 0.000 0.261 449 A C 0.136 177.676 177.584 -0.075 0.000 1.090 449 A CA 0.137 52.127 52.037 -0.080 0.000 0.807 449 A CB 0.464 19.403 19.000 -0.101 0.000 1.055 449 A HN 0.068 nan 8.150 nan 0.000 0.492 450 T N 1.133 115.626 114.554 -0.101 0.000 2.848 450 T HA 0.531 4.881 4.350 -0.000 0.000 0.285 450 T C 0.260 174.905 174.700 -0.091 0.000 0.995 450 T CA -0.128 61.922 62.100 -0.083 0.000 0.970 450 T CB 1.287 70.100 68.868 -0.091 0.000 0.976 450 T HN 0.982 nan 8.240 nan 0.000 0.441 451 S N 2.223 117.892 115.700 -0.053 0.000 2.624 451 S HA 0.390 4.860 4.470 -0.000 0.000 0.263 451 S C 1.487 176.073 174.600 -0.024 0.000 1.287 451 S CA -0.741 57.439 58.200 -0.033 0.000 0.990 451 S CB 0.298 63.523 63.200 0.042 0.000 0.950 451 S HN 0.571 nan 8.310 nan 0.000 0.561 452 I N 0.239 120.804 120.570 -0.009 0.000 2.163 452 I HA -0.123 4.047 4.170 -0.000 0.000 0.243 452 I C 2.185 178.322 176.117 0.033 0.000 1.085 452 I CA 1.561 62.858 61.300 -0.005 0.000 1.347 452 I CB -0.429 37.566 38.000 -0.009 0.000 1.044 452 I HN 0.772 nan 8.210 nan 0.000 0.408 453 F N 1.391 121.315 119.950 -0.043 0.000 2.095 453 F HA -0.283 4.244 4.527 0.000 0.000 0.298 453 F C 2.641 178.424 175.800 -0.028 0.000 1.104 453 F CA 2.004 59.986 58.000 -0.030 0.000 1.232 453 F CB -0.530 38.458 39.000 -0.021 0.000 0.987 453 F HN -0.025 nan 8.300 nan 0.000 0.475 454 S N 0.390 115.930 115.700 -0.268 0.000 2.368 454 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 454 S C 2.368 176.778 174.600 -0.317 0.000 1.030 454 S CA 1.168 59.143 58.200 -0.374 0.000 0.999 454 S CB -1.409 61.708 63.200 -0.138 0.000 0.844 454 S HN 0.622 nan 8.310 nan 0.000 0.459 455 G N 1.866 110.546 108.800 -0.199 0.000 2.440 455 G HA2 -0.133 3.827 3.960 -0.000 0.000 0.218 455 G HA3 -0.133 3.827 3.960 -0.000 0.000 0.218 455 G C 1.353 176.155 174.900 -0.164 0.000 1.154 455 G CA 0.649 45.658 45.100 -0.151 0.000 0.767 455 G HN 0.408 nan 8.290 nan 0.000 0.552 456 L N -0.204 120.908 121.223 -0.186 0.000 1.994 456 L HA -0.137 4.203 4.340 -0.000 0.000 0.208 456 L C 3.038 179.775 176.870 -0.222 0.000 1.071 456 L CA 1.622 56.367 54.840 -0.158 0.000 0.745 456 L CB -0.520 41.483 42.059 -0.094 0.000 0.892 456 L HN 0.277 nan 8.230 nan 0.000 0.431 457 Q N -0.161 119.379 119.800 -0.434 0.000 2.050 457 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 457 Q C 2.314 178.169 176.000 -0.241 0.000 0.980 457 Q CA 2.249 57.803 55.803 -0.415 0.000 0.840 457 Q CB -0.183 28.072 28.738 -0.804 0.000 0.898 457 Q HN 0.368 nan 8.270 nan 0.000 0.424 458 S N -0.015 115.543 115.700 -0.237 0.000 2.380 458 S HA -0.228 4.242 4.470 -0.000 0.000 0.229 458 S C 1.888 176.428 174.600 -0.100 0.000 1.043 458 S CA 1.933 60.047 58.200 -0.144 0.000 1.038 458 S CB -0.050 63.070 63.200 -0.132 0.000 0.872 458 S HN 0.505 nan 8.310 nan 0.000 0.456 459 Q N -0.266 119.475 119.800 -0.097 0.000 2.163 459 Q HA 0.022 4.362 4.340 -0.000 0.000 0.198 459 Q C 2.386 178.354 176.000 -0.053 0.000 0.954 459 Q CA 1.346 57.111 55.803 -0.062 0.000 0.851 459 Q CB -0.207 28.502 28.738 -0.048 0.000 0.928 459 Q HN 0.667 nan 8.270 nan 0.000 0.459 460 V N -1.580 118.296 119.914 -0.062 0.000 2.515 460 V HA -0.158 3.962 4.120 -0.000 0.000 0.250 460 V C 1.905 177.975 176.094 -0.039 0.000 1.058 460 V CA 2.068 64.341 62.300 -0.044 0.000 1.064 460 V CB -0.660 31.142 31.823 -0.036 0.000 0.675 460 V HN 0.192 nan 8.190 nan 0.000 0.461 461 T N 0.315 114.839 114.554 -0.051 0.000 2.857 461 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 461 T C 1.819 176.499 174.700 -0.033 0.000 1.048 461 T CA 1.838 63.914 62.100 -0.040 0.000 1.139 461 T CB -0.249 68.590 68.868 -0.049 0.000 0.874 461 T HN 0.618 nan 8.240 nan 0.000 0.455 462 K N 1.140 121.518 120.400 -0.037 0.000 2.209 462 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 462 K C 2.161 178.746 176.600 -0.025 0.000 1.048 462 K CA 1.073 57.343 56.287 -0.029 0.000 0.940 462 K CB -0.044 32.439 32.500 -0.029 0.000 0.729 462 K HN 0.240 nan 8.250 nan 0.000 0.451 463 A N 0.383 123.187 122.820 -0.026 0.000 2.238 463 A HA 0.249 4.569 4.320 -0.000 0.000 0.210 463 A C 1.419 178.991 177.584 -0.020 0.000 1.179 463 A CA 0.669 52.693 52.037 -0.023 0.000 0.827 463 A CB -0.036 18.949 19.000 -0.025 0.000 0.856 463 A HN 0.367 nan 8.150 nan 0.000 0.488 464 G N -1.522 107.267 108.800 -0.019 0.000 2.143 464 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.249 464 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.249 464 G C 0.755 175.648 174.900 -0.013 0.000 0.981 464 G CA 0.443 45.534 45.100 -0.014 0.000 0.665 464 G HN 1.276 nan 8.290 nan 0.000 0.528 465 G N -0.802 107.990 108.800 -0.015 0.000 2.535 465 G HA2 0.579 4.539 3.960 -0.000 0.000 0.282 465 G HA3 0.579 4.539 3.960 -0.000 0.000 0.282 465 G C -0.104 174.793 174.900 -0.004 0.000 1.350 465 G CA -0.311 44.782 45.100 -0.012 0.000 1.039 465 G HN 0.316 nan 8.290 nan 0.000 0.509 466 K N -0.779 119.621 120.400 0.001 0.000 2.375 466 K HA 0.666 4.986 4.320 -0.000 0.000 0.249 466 K C -1.219 175.398 176.600 0.027 0.000 0.942 466 K CA -0.636 55.660 56.287 0.015 0.000 0.806 466 K CB 2.691 35.199 32.500 0.014 0.000 1.227 466 K HN 0.464 nan 8.250 nan 0.000 0.430 467 I N 0.639 121.242 120.570 0.056 0.000 2.731 467 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 467 I C -1.301 174.915 176.117 0.166 0.000 1.399 467 I CA -0.140 61.222 61.300 0.103 0.000 1.048 467 I CB 2.150 40.209 38.000 0.098 0.000 1.345 467 I HN 0.790 nan 8.210 nan 0.000 0.425 468 T N 4.253 118.902 114.554 0.159 0.000 2.916 468 T HA 0.660 5.010 4.350 -0.000 0.000 0.292 468 T C -1.058 173.675 174.700 0.056 0.000 1.055 468 T CA -0.783 61.394 62.100 0.128 0.000 1.009 468 T CB 2.066 70.975 68.868 0.069 0.000 1.118 468 T HN 0.489 nan 8.240 nan 0.000 0.497 469 L N 1.640 122.755 121.223 -0.179 0.000 2.280 469 L HA 0.765 5.105 4.340 -0.000 0.000 0.287 469 L C -0.370 176.368 176.870 -0.220 0.000 1.023 469 L CA -0.005 54.579 54.840 -0.426 0.000 0.819 469 L CB 1.520 42.861 42.059 -1.196 0.000 1.212 469 L HN 0.897 nan 8.230 nan 0.000 0.420 470 S N 3.539 119.166 115.700 -0.121 0.000 2.733 470 S HA 0.377 4.847 4.470 -0.000 0.000 0.294 470 S C 0.654 175.228 174.600 -0.043 0.000 1.149 470 S CA -0.636 57.523 58.200 -0.068 0.000 1.034 470 S CB 0.834 64.025 63.200 -0.014 0.000 1.015 470 S HN 0.773 nan 8.310 nan 0.000 0.486 471 E N 2.761 122.934 120.200 -0.044 0.000 2.097 471 E HA -0.133 4.217 4.350 -0.000 0.000 0.196 471 E C 1.660 178.277 176.600 0.028 0.000 1.000 471 E CA 1.789 58.185 56.400 -0.007 0.000 0.804 471 E CB -0.387 29.316 29.700 0.004 0.000 0.740 471 E HN 0.783 nan 8.360 nan 0.000 0.454 472 S N -0.771 114.945 115.700 0.026 0.000 2.631 472 S HA 0.305 4.775 4.470 -0.000 0.000 0.217 472 S C 1.326 175.937 174.600 0.019 0.000 0.958 472 S CA 0.367 58.586 58.200 0.032 0.000 0.920 472 S CB 0.408 63.628 63.200 0.033 0.000 0.776 472 S HN 0.364 nan 8.310 nan 0.000 0.517 473 G N 1.285 110.104 108.800 0.031 0.000 2.212 473 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.255 473 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.255 473 G C -0.419 174.542 174.900 0.103 0.000 1.062 473 G CA -0.177 44.966 45.100 0.072 0.000 0.815 473 G HN 0.624 nan 8.290 nan 0.000 0.497 474 E N -0.697 119.532 120.200 0.049 0.000 2.313 474 E HA 0.641 4.991 4.350 -0.000 0.000 0.272 474 E C -0.017 176.633 176.600 0.083 0.000 1.038 474 E CA -0.493 55.897 56.400 -0.017 0.000 0.863 474 E CB 0.995 30.663 29.700 -0.052 0.000 1.060 474 E HN 0.738 nan 8.360 nan 0.000 0.402 475 Y N -2.036 118.258 120.300 -0.010 0.000 2.581 475 Y HA 0.350 4.900 4.550 0.000 0.000 0.337 475 Y C 0.151 176.048 175.900 -0.004 0.000 1.108 475 Y CA -0.932 57.164 58.100 -0.006 0.000 1.033 475 Y CB 0.922 39.380 38.460 -0.004 0.000 1.318 475 Y HN 0.276 nan 8.280 nan 0.000 0.459 476 T N -0.065 114.590 114.554 0.169 0.000 2.914 476 T HA 0.066 4.416 4.350 -0.000 0.000 0.240 476 T C 0.265 175.101 174.700 0.227 0.000 1.025 476 T CA 0.837 63.004 62.100 0.111 0.000 1.198 476 T CB -0.376 68.528 68.868 0.061 0.000 0.892 476 T HN 0.626 nan 8.240 nan 0.000 0.417 477 S N 2.056 117.872 115.700 0.192 0.000 2.548 477 S HA 0.298 4.768 4.470 -0.000 0.000 0.277 477 S C -0.086 174.593 174.600 0.131 0.000 1.315 477 S CA -0.676 57.611 58.200 0.144 0.000 1.050 477 S CB 1.055 64.294 63.200 0.064 0.000 0.918 477 S HN 0.299 nan 8.310 nan 0.000 0.497 478 K N 2.866 123.284 120.400 0.030 0.000 2.401 478 K HA 0.179 4.499 4.320 -0.000 0.000 0.278 478 K C -2.527 173.921 176.600 -0.253 0.000 1.018 478 K CA -1.260 54.853 56.287 -0.290 0.000 0.981 478 K CB 0.136 32.550 32.500 -0.143 0.000 0.933 478 K HN 0.286 nan 8.250 nan 0.000 0.477 479 P HA 0.200 nan 4.420 nan 0.000 0.283 479 P C -0.491 176.720 177.300 -0.147 0.000 1.271 479 P CA -0.536 62.447 63.100 -0.196 0.000 0.841 479 P CB 0.847 32.432 31.700 -0.192 0.000 1.122 480 D N -0.839 119.506 120.400 -0.091 0.000 2.144 480 D HA -0.015 4.625 4.640 -0.000 0.000 0.200 480 D C 0.414 176.672 176.300 -0.069 0.000 0.978 480 D CA 1.486 55.444 54.000 -0.070 0.000 0.833 480 D CB 0.279 41.050 40.800 -0.049 0.000 0.961 480 D HN 0.106 nan 8.370 nan 0.000 0.470 481 V N -0.798 119.075 119.914 -0.069 0.000 3.000 481 V HA 0.584 4.704 4.120 -0.000 0.000 0.300 481 V C -1.877 174.185 176.094 -0.053 0.000 1.251 481 V CA -0.841 61.426 62.300 -0.055 0.000 0.972 481 V CB 2.031 33.833 31.823 -0.036 0.000 1.065 481 V HN 0.038 nan 8.190 nan 0.000 0.431 482 A N 6.925 129.717 122.820 -0.046 0.000 2.276 482 A HA 0.838 5.158 4.320 -0.000 0.000 0.316 482 A C -0.511 177.065 177.584 -0.014 0.000 1.229 482 A CA -0.557 51.462 52.037 -0.029 0.000 0.851 482 A CB 0.549 19.532 19.000 -0.028 0.000 1.165 482 A HN 0.847 nan 8.150 nan 0.000 0.513 483 I N 3.058 123.628 120.570 0.001 0.000 2.315 483 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 483 I C -0.729 175.388 176.117 0.000 0.000 1.006 483 I CA -0.500 60.801 61.300 0.001 0.000 1.265 483 I CB 1.561 39.572 38.000 0.017 0.000 1.387 483 I HN 0.273 nan 8.210 nan 0.000 0.475 484 V N 7.590 127.491 119.914 -0.021 0.000 2.326 484 V HA 0.264 4.384 4.120 -0.000 0.000 0.281 484 V C -0.008 176.064 176.094 -0.036 0.000 1.015 484 V CA -0.679 61.612 62.300 -0.016 0.000 0.823 484 V CB 1.629 33.447 31.823 -0.009 0.000 1.009 484 V HN 0.400 nan 8.190 nan 0.000 0.436 485 V N 7.123 127.028 119.914 -0.016 0.000 2.364 485 V HA 0.601 4.720 4.120 -0.000 0.000 0.272 485 V C 0.021 176.112 176.094 -0.004 0.000 1.036 485 V CA -0.286 61.994 62.300 -0.033 0.000 0.880 485 V CB 0.905 32.715 31.823 -0.021 0.000 0.991 485 V HN 0.818 nan 8.190 nan 0.000 0.460 486 I N 1.753 122.313 120.570 -0.018 0.000 3.191 486 I HA 1.108 5.278 4.170 -0.000 0.000 0.313 486 I C 0.083 176.150 176.117 -0.085 0.000 1.193 486 I CA -0.676 60.662 61.300 0.064 0.000 0.968 486 I CB 2.522 40.647 38.000 0.208 0.000 1.262 486 I HN 0.763 nan 8.210 nan 0.000 0.456 487 G N 1.881 110.698 108.800 0.029 0.000 2.336 487 G HA2 0.205 4.165 3.960 -0.000 0.000 0.286 487 G HA3 0.205 4.165 3.960 -0.000 0.000 0.286 487 G C -1.820 173.179 174.900 0.165 0.000 1.269 487 G CA -0.857 44.078 45.100 -0.275 0.000 0.873 487 G HN 0.786 nan 8.290 nan 0.000 0.494 488 E N 0.767 120.989 120.200 0.037 0.000 2.373 488 E HA 0.311 4.661 4.350 -0.000 0.000 0.263 488 E C -0.212 176.445 176.600 0.095 0.000 1.073 488 E CA -0.409 56.107 56.400 0.194 0.000 0.894 488 E CB 0.836 30.701 29.700 0.275 0.000 1.008 488 E HN 0.297 nan 8.360 nan 0.000 0.420 489 E N 2.996 123.268 120.200 0.120 0.000 2.415 489 E HA 0.062 4.412 4.350 -0.000 0.000 0.262 489 E C -2.062 174.561 176.600 0.039 0.000 1.038 489 E CA -1.733 54.705 56.400 0.063 0.000 0.921 489 E CB -0.185 29.553 29.700 0.064 0.000 0.950 489 E HN 0.290 nan 8.360 nan 0.000 0.438 490 P HA -0.002 nan 4.420 nan 0.000 0.267 490 P C -0.858 176.325 177.300 -0.194 0.000 1.200 490 P CA 0.469 63.411 63.100 -0.263 0.000 0.772 490 P CB 0.077 31.658 31.700 -0.198 0.000 0.855 491 Y N -1.253 118.901 120.300 -0.243 0.000 2.624 491 Y HA 0.774 5.324 4.550 -0.000 0.000 0.334 491 Y C -1.666 173.992 175.900 -0.404 0.000 1.155 491 Y CA -1.772 56.132 58.100 -0.326 0.000 1.046 491 Y CB 0.586 38.942 38.460 -0.173 0.000 1.316 491 Y HN 0.591 nan 8.280 nan 0.000 0.457 492 A N 1.269 123.748 122.820 -0.568 0.000 2.435 492 A HA 0.802 5.122 4.320 -0.000 0.000 0.304 492 A C -0.376 176.877 177.584 -0.551 0.000 1.064 492 A CA -0.170 51.482 52.037 -0.641 0.000 0.727 492 A CB 1.085 19.221 19.000 -1.440 0.000 1.284 492 A HN 1.042 nan 8.150 nan 0.000 0.415 493 E N -0.907 119.188 120.200 -0.174 0.000 3.431 493 E HA -0.373 3.977 4.350 -0.000 0.000 0.294 493 E C 0.811 177.394 176.600 -0.029 0.000 1.487 493 E CA 2.100 58.486 56.400 -0.023 0.000 2.027 493 E CB -0.937 28.872 29.700 0.183 0.000 1.966 493 E HN 1.376 nan 8.360 nan 0.000 0.482 494 W N 0.627 122.012 121.300 0.141 0.000 2.387 494 W HA -0.036 4.624 4.660 -0.000 0.000 0.272 494 W C 1.837 178.379 176.519 0.038 0.000 1.224 494 W CA 0.974 58.370 57.345 0.085 0.000 1.210 494 W CB -0.815 28.683 29.460 0.064 0.000 1.125 494 W HN 0.375 nan 8.180 nan 0.000 0.572 495 F N 1.525 121.059 119.950 -0.693 0.000 2.236 495 F HA -0.072 4.455 4.527 -0.000 0.000 0.302 495 F C 2.531 178.127 175.800 -0.341 0.000 1.073 495 F CA 1.445 59.161 58.000 -0.473 0.000 1.336 495 F CB -0.582 38.042 39.000 -0.626 0.000 1.040 495 F HN 0.127 nan 8.300 nan 0.000 0.507 496 G N -1.526 107.138 108.800 -0.225 0.000 3.088 496 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.217 496 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.217 496 G C -0.270 174.380 174.900 -0.417 0.000 1.159 496 G CA -0.258 44.414 45.100 -0.714 0.000 0.760 496 G HN 0.019 nan 8.290 nan 0.000 0.550 497 D N 1.173 121.474 120.400 -0.164 0.000 2.458 497 D HA 0.318 4.958 4.640 -0.000 0.000 0.243 497 D C 0.741 176.967 176.300 -0.123 0.000 1.146 497 D CA 0.408 54.366 54.000 -0.070 0.000 0.877 497 D CB 1.048 41.856 40.800 0.013 0.000 1.176 497 D HN 0.433 nan 8.370 nan 0.000 0.461 498 I N -1.550 118.964 120.570 -0.093 0.000 3.042 498 I HA 0.447 4.617 4.170 -0.000 0.000 0.310 498 I C 0.418 176.478 176.117 -0.095 0.000 1.117 498 I CA -0.809 60.437 61.300 -0.089 0.000 1.003 498 I CB 2.295 40.265 38.000 -0.050 0.000 1.228 498 I HN 0.025 nan 8.210 nan 0.000 0.443 499 E N 1.801 121.942 120.200 -0.098 0.000 2.399 499 E HA 0.296 4.646 4.350 -0.000 0.000 0.205 499 E C -0.253 176.332 176.600 -0.025 0.000 0.906 499 E CA 0.307 56.624 56.400 -0.138 0.000 0.998 499 E CB 0.991 30.597 29.700 -0.158 0.000 1.002 499 E HN 0.344 nan 8.360 nan 0.000 0.501 500 L N 1.564 122.800 121.223 0.022 0.000 2.346 500 L HA 0.347 4.687 4.340 -0.000 0.000 0.276 500 L C 1.316 178.276 176.870 0.150 0.000 1.006 500 L CA -0.239 54.642 54.840 0.068 0.000 0.817 500 L CB 1.691 43.688 42.059 -0.104 0.000 1.272 500 L HN -0.013 nan 8.230 nan 0.000 0.421 501 L N 0.696 122.032 121.223 0.189 0.000 2.418 501 L HA 0.098 4.438 4.340 -0.000 0.000 0.218 501 L C 1.058 178.120 176.870 0.320 0.000 1.125 501 L CA 0.200 55.171 54.840 0.217 0.000 0.835 501 L CB 0.115 42.264 42.059 0.150 0.000 0.953 501 L HN 0.693 nan 8.230 nan 0.000 0.454 502 E N 1.050 121.448 120.200 0.329 0.000 2.415 502 E HA -0.086 4.264 4.350 -0.000 0.000 0.263 502 E C -0.426 176.452 176.600 0.462 0.000 0.995 502 E CA -0.452 56.257 56.400 0.514 0.000 0.915 502 E CB 0.498 30.526 29.700 0.546 0.000 0.951 502 E HN -0.012 nan 8.360 nan 0.000 0.449 503 F N 4.289 124.435 119.950 0.327 0.000 2.538 503 F HA 0.040 4.567 4.527 0.000 0.000 0.371 503 F C 0.417 176.377 175.800 0.266 0.000 1.087 503 F CA 0.265 58.450 58.000 0.309 0.000 1.250 503 F CB 0.253 39.458 39.000 0.342 0.000 1.110 503 F HN 0.695 nan 8.300 nan 0.000 0.570 504 Q N 3.446 122.973 119.800 -0.455 0.000 2.435 504 Q HA -0.373 3.967 4.340 -0.000 0.000 0.312 504 Q C 1.059 177.012 176.000 -0.078 0.000 1.333 504 Q CA 1.091 56.651 55.803 -0.404 0.000 0.883 504 Q CB -1.555 26.781 28.738 -0.670 0.000 1.170 504 Q HN 0.965 nan 8.270 nan 0.000 0.443 505 H N 0.287 119.345 119.070 -0.020 0.000 2.353 505 H HA -0.177 4.379 4.556 -0.000 0.000 0.298 505 H C 1.716 177.058 175.328 0.023 0.000 1.103 505 H CA 2.326 58.400 56.048 0.045 0.000 1.293 505 H CB 0.396 30.198 29.762 0.067 0.000 1.372 505 H HN 0.345 nan 8.280 nan 0.000 0.501 506 E N -1.232 118.969 120.200 0.001 0.000 2.152 506 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 506 E C 2.305 178.866 176.600 -0.064 0.000 0.983 506 E CA 1.650 58.026 56.400 -0.040 0.000 0.818 506 E CB 0.078 29.791 29.700 0.021 0.000 0.758 506 E HN 0.748 nan 8.360 nan 0.000 0.467 507 T N -3.244 111.277 114.554 -0.054 0.000 3.038 507 T HA 0.090 4.439 4.350 -0.000 0.000 0.244 507 T C 0.644 175.346 174.700 0.003 0.000 1.016 507 T CA -0.061 62.028 62.100 -0.017 0.000 1.098 507 T CB 0.225 69.093 68.868 -0.000 0.000 0.954 507 T HN -0.186 nan 8.240 nan 0.000 0.469 508 K N 0.842 121.231 120.400 -0.019 0.000 3.020 508 K HA -0.256 4.064 4.320 -0.000 0.000 0.266 508 K C 0.589 177.223 176.600 0.056 0.000 1.067 508 K CA 1.117 57.414 56.287 0.016 0.000 0.780 508 K CB -2.343 30.164 32.500 0.012 0.000 1.220 508 K HN 0.799 nan 8.250 nan 0.000 0.483 509 H N 0.018 119.073 119.070 -0.023 0.000 2.319 509 H HA -0.011 4.545 4.556 -0.000 0.000 0.299 509 H C 1.950 177.311 175.328 0.055 0.000 1.092 509 H CA 2.746 58.798 56.048 0.007 0.000 1.302 509 H CB 0.063 29.819 29.762 -0.009 0.000 1.373 509 H HN 0.375 nan 8.280 nan 0.000 0.497 510 A N 0.387 123.274 122.820 0.111 0.000 1.902 510 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 510 A C 2.424 180.052 177.584 0.073 0.000 1.181 510 A CA 1.597 53.715 52.037 0.134 0.000 0.623 510 A CB -0.999 18.239 19.000 0.397 0.000 0.818 510 A HN 0.488 nan 8.150 nan 0.000 0.443 511 L N -0.242 121.043 121.223 0.103 0.000 2.079 511 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 511 L C 2.690 179.567 176.870 0.012 0.000 1.081 511 L CA 2.092 56.975 54.840 0.073 0.000 0.752 511 L CB -0.670 41.438 42.059 0.081 0.000 0.896 511 L HN 0.365 nan 8.230 nan 0.000 0.433 512 A N -0.584 122.217 122.820 -0.032 0.000 1.883 512 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 512 A C 2.241 179.788 177.584 -0.061 0.000 1.186 512 A CA 2.104 54.108 52.037 -0.055 0.000 0.624 512 A CB -1.084 17.861 19.000 -0.093 0.000 0.822 512 A HN 0.495 nan 8.150 nan 0.000 0.444 513 L N -0.100 121.064 121.223 -0.099 0.000 2.017 513 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 513 L C 2.291 179.154 176.870 -0.011 0.000 1.073 513 L CA 1.757 56.558 54.840 -0.065 0.000 0.745 513 L CB -0.619 41.388 42.059 -0.087 0.000 0.894 513 L HN 0.411 nan 8.230 nan 0.000 0.432 514 L N -0.594 120.633 121.223 0.006 0.000 2.042 514 L HA -0.265 4.075 4.340 -0.000 0.000 0.210 514 L C 2.643 179.522 176.870 0.014 0.000 1.076 514 L CA 1.718 56.570 54.840 0.020 0.000 0.749 514 L CB -0.704 41.379 42.059 0.041 0.000 0.893 514 L HN 0.282 nan 8.230 nan 0.000 0.432 515 K N -0.423 119.982 120.400 0.009 0.000 2.057 515 K HA -0.216 4.104 4.320 -0.000 0.000 0.206 515 K C 2.189 178.794 176.600 0.010 0.000 1.050 515 K CA 1.168 57.459 56.287 0.007 0.000 0.935 515 K CB -0.129 32.373 32.500 0.004 0.000 0.715 515 K HN 0.288 nan 8.250 nan 0.000 0.439 516 Q N 0.947 120.750 119.800 0.006 0.000 2.112 516 Q HA -0.180 4.160 4.340 -0.000 0.000 0.206 516 Q C 1.964 177.989 176.000 0.041 0.000 0.987 516 Q CA 1.385 57.198 55.803 0.017 0.000 0.858 516 Q CB -0.006 28.736 28.738 0.007 0.000 0.905 516 Q HN 0.314 nan 8.270 nan 0.000 0.420 517 L N -0.037 121.209 121.223 0.040 0.000 2.217 517 L HA -0.099 4.241 4.340 -0.000 0.000 0.211 517 L C 2.424 179.310 176.870 0.027 0.000 1.107 517 L CA 0.809 55.678 54.840 0.049 0.000 0.783 517 L CB -0.153 41.925 42.059 0.033 0.000 0.919 517 L HN 0.101 nan 8.230 nan 0.000 0.442 518 K N -0.049 120.362 120.400 0.018 0.000 2.228 518 K HA -0.000 4.320 4.320 -0.000 0.000 0.202 518 K C 2.115 178.723 176.600 0.013 0.000 1.051 518 K CA 0.804 57.097 56.287 0.009 0.000 0.960 518 K CB 0.093 32.597 32.500 0.006 0.000 0.743 518 K HN 0.244 nan 8.250 nan 0.000 0.458 519 A N 1.295 124.127 122.820 0.021 0.000 1.968 519 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 519 A C 1.154 178.757 177.584 0.031 0.000 1.169 519 A CA 1.435 53.486 52.037 0.022 0.000 0.638 519 A CB -0.085 18.928 19.000 0.022 0.000 0.812 519 A HN 0.196 nan 8.150 nan 0.000 0.446 520 D N -0.939 119.490 120.400 0.048 0.000 2.349 520 D HA -0.004 4.636 4.640 -0.000 0.000 0.224 520 D C 0.305 176.619 176.300 0.025 0.000 1.029 520 D CA 0.499 54.536 54.000 0.061 0.000 0.879 520 D CB -0.324 40.553 40.800 0.129 0.000 0.906 520 D HN 0.439 nan 8.370 nan 0.000 0.528 521 N N -0.141 118.565 118.700 0.010 0.000 2.780 521 N HA -0.180 4.560 4.740 -0.000 0.000 0.248 521 N C -1.054 174.440 175.510 -0.027 0.000 1.102 521 N CA 0.179 53.225 53.050 -0.007 0.000 0.697 521 N CB -1.407 37.077 38.487 -0.005 0.000 1.028 521 N HN 0.209 nan 8.380 nan 0.000 0.554 522 I N 0.645 121.193 120.570 -0.036 0.000 2.371 522 I HA 0.290 4.460 4.170 -0.000 0.000 0.290 522 I C -1.770 174.323 176.117 -0.041 0.000 1.028 522 I CA -1.878 59.384 61.300 -0.063 0.000 1.345 522 I CB 0.922 38.861 38.000 -0.101 0.000 1.407 522 I HN -0.010 nan 8.210 nan 0.000 0.501 523 P HA 0.004 nan 4.420 nan 0.000 0.264 523 P C -0.705 176.578 177.300 -0.028 0.000 1.193 523 P CA -0.003 63.079 63.100 -0.030 0.000 0.763 523 P CB 0.723 32.404 31.700 -0.031 0.000 0.810 524 V N 4.931 124.834 119.914 -0.018 0.000 2.495 524 V HA 0.474 4.594 4.120 -0.000 0.000 0.298 524 V C -0.929 175.156 176.094 -0.015 0.000 1.031 524 V CA -0.766 61.525 62.300 -0.015 0.000 0.871 524 V CB 2.060 33.879 31.823 -0.007 0.000 0.988 524 V HN 0.146 nan 8.190 nan 0.000 0.432 525 V N 6.016 125.916 119.914 -0.024 0.000 2.357 525 V HA 0.463 4.583 4.120 -0.000 0.000 0.284 525 V C 0.343 176.390 176.094 -0.079 0.000 1.018 525 V CA -0.206 62.073 62.300 -0.035 0.000 0.841 525 V CB 1.872 33.687 31.823 -0.014 0.000 0.991 525 V HN 1.030 nan 8.190 nan 0.000 0.437 526 T N 4.885 119.347 114.554 -0.154 0.000 2.767 526 T HA 0.495 4.845 4.350 -0.000 0.000 0.288 526 T C -0.180 174.267 174.700 -0.422 0.000 0.963 526 T CA -0.314 61.603 62.100 -0.304 0.000 1.019 526 T CB 1.459 70.050 68.868 -0.461 0.000 0.923 526 T HN 0.325 nan 8.240 nan 0.000 0.468 527 V N 4.508 124.245 119.914 -0.296 0.000 2.347 527 V HA 0.389 4.508 4.120 -0.000 0.000 0.280 527 V C -0.613 175.327 176.094 -0.257 0.000 1.021 527 V CA -0.865 61.275 62.300 -0.266 0.000 0.847 527 V CB 0.595 32.338 31.823 -0.134 0.000 0.990 527 V HN 0.803 nan 8.190 nan 0.000 0.444 528 F N 6.408 126.038 119.950 -0.533 0.000 2.361 528 F HA 0.567 5.094 4.527 -0.000 0.000 0.364 528 F C -0.090 175.561 175.800 -0.249 0.000 1.120 528 F CA -0.803 56.944 58.000 -0.421 0.000 1.102 528 F CB 0.805 39.549 39.000 -0.426 0.000 1.183 528 F HN 0.319 nan 8.300 nan 0.000 0.476 529 L N 6.510 127.425 121.223 -0.514 0.000 2.260 529 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 529 L C -0.120 176.396 176.870 -0.589 0.000 1.057 529 L CA -0.287 54.311 54.840 -0.404 0.000 0.811 529 L CB 0.550 42.453 42.059 -0.260 0.000 1.184 529 L HN 0.717 nan 8.230 nan 0.000 0.429 530 S N 0.592 116.089 115.700 -0.338 0.000 2.588 530 S HA 0.516 4.986 4.470 -0.000 0.000 0.269 530 S C 0.178 174.813 174.600 0.058 0.000 1.157 530 S CA -0.271 57.818 58.200 -0.185 0.000 0.824 530 S CB 1.568 64.653 63.200 -0.192 0.000 1.126 530 S HN 0.582 nan 8.310 nan 0.000 0.464 531 G N 0.353 109.212 108.800 0.098 0.000 3.233 531 G HA2 0.490 4.450 3.960 -0.000 0.000 0.227 531 G HA3 0.490 4.450 3.960 -0.000 0.000 0.227 531 G C 0.220 175.240 174.900 0.200 0.000 1.175 531 G CA -0.481 44.721 45.100 0.170 0.000 0.781 531 G HN 0.993 nan 8.290 nan 0.000 0.542 532 R N -1.971 118.657 120.500 0.214 0.000 2.739 532 R HA 0.323 4.663 4.340 -0.000 0.000 0.266 532 R C -3.625 172.732 176.300 0.094 0.000 1.044 532 R CA -1.591 54.536 56.100 0.044 0.000 0.885 532 R CB 0.027 30.335 30.300 0.013 0.000 1.260 532 R HN -0.206 nan 8.270 nan 0.000 0.477 533 P HA 0.149 nan 4.420 nan 0.000 0.269 533 P C -0.775 176.178 177.300 -0.578 0.000 1.209 533 P CA -0.070 62.504 63.100 -0.878 0.000 0.776 533 P CB 0.540 31.675 31.700 -0.940 0.000 0.876 534 L N 1.315 122.178 121.223 -0.599 0.000 2.350 534 L HA 0.472 4.812 4.340 -0.000 0.000 0.260 534 L C -0.514 176.338 176.870 -0.030 0.000 1.015 534 L CA -0.970 53.832 54.840 -0.064 0.000 0.821 534 L CB 1.702 43.959 42.059 0.332 0.000 1.370 534 L HN 0.398 nan 8.230 nan 0.000 0.416 535 W N 2.661 123.944 121.300 -0.028 0.000 2.565 535 W HA 0.372 5.032 4.660 -0.000 0.000 0.325 535 W C 0.372 176.945 176.519 0.090 0.000 1.408 535 W CA -0.185 57.177 57.345 0.029 0.000 1.350 535 W CB 0.634 30.104 29.460 0.017 0.000 1.426 535 W HN 0.190 nan 8.180 nan 0.000 0.538 536 V N 2.992 122.666 119.914 -0.399 0.000 3.070 536 V HA 0.163 4.282 4.120 -0.000 0.000 0.355 536 V C 1.041 176.744 176.094 -0.652 0.000 1.400 536 V CA -0.337 61.706 62.300 -0.427 0.000 1.170 536 V CB -0.057 31.498 31.823 -0.447 0.000 1.169 536 V HN 0.523 nan 8.190 nan 0.000 0.554 537 N N 2.500 120.574 118.700 -1.043 0.000 2.061 537 N HA -0.170 4.570 4.740 -0.000 0.000 0.193 537 N C 1.590 176.797 175.510 -0.505 0.000 1.030 537 N CA 2.271 54.842 53.050 -0.798 0.000 0.856 537 N CB -0.281 37.662 38.487 -0.908 0.000 1.023 537 N HN 0.622 nan 8.380 nan 0.000 0.424 538 K N 0.466 120.582 120.400 -0.474 0.000 2.063 538 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 538 K C 1.833 178.357 176.600 -0.128 0.000 1.048 538 K CA 1.327 57.488 56.287 -0.210 0.000 0.928 538 K CB -0.112 32.324 32.500 -0.106 0.000 0.713 538 K HN 0.191 nan 8.250 nan 0.000 0.442 539 E N 0.986 121.116 120.200 -0.117 0.000 2.107 539 E HA -0.086 4.264 4.350 -0.000 0.000 0.191 539 E C 1.931 178.516 176.600 -0.026 0.000 0.982 539 E CA 0.673 57.076 56.400 0.004 0.000 0.809 539 E CB -0.112 29.655 29.700 0.112 0.000 0.756 539 E HN 0.158 nan 8.360 nan 0.000 0.459 540 L N 0.891 121.969 121.223 -0.242 0.000 2.012 540 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 540 L C 1.860 178.646 176.870 -0.140 0.000 1.073 540 L CA 1.074 55.735 54.840 -0.299 0.000 0.748 540 L CB -0.409 41.346 42.059 -0.507 0.000 0.891 540 L HN 0.172 nan 8.230 nan 0.000 0.431 541 N N 0.118 118.730 118.700 -0.146 0.000 2.205 541 N HA -0.139 4.601 4.740 -0.000 0.000 0.186 541 N C 1.427 176.910 175.510 -0.046 0.000 1.015 541 N CA 1.456 54.451 53.050 -0.093 0.000 0.862 541 N CB -0.259 38.171 38.487 -0.095 0.000 0.986 541 N HN 0.316 nan 8.380 nan 0.000 0.429 542 A N -0.545 122.259 122.820 -0.028 0.000 2.370 542 A HA 0.321 4.641 4.320 -0.000 0.000 0.238 542 A C 0.120 177.714 177.584 0.017 0.000 1.289 542 A CA -0.170 51.866 52.037 -0.002 0.000 0.885 542 A CB 0.142 19.147 19.000 0.008 0.000 0.961 542 A HN 0.067 nan 8.150 nan 0.000 0.499 543 S N -0.409 115.306 115.700 0.024 0.000 2.536 543 S HA 0.348 4.818 4.470 -0.000 0.000 0.287 543 S C -0.321 174.291 174.600 0.020 0.000 1.101 543 S CA -0.696 57.529 58.200 0.042 0.000 0.950 543 S CB 1.728 65.000 63.200 0.120 0.000 1.056 543 S HN 0.348 nan 8.310 nan 0.000 0.481 544 D N 1.295 121.701 120.400 0.009 0.000 2.216 544 D HA 0.187 4.827 4.640 -0.000 0.000 0.208 544 D C 0.597 176.897 176.300 0.000 0.000 0.960 544 D CA 0.685 54.684 54.000 -0.002 0.000 0.861 544 D CB 0.296 41.090 40.800 -0.008 0.000 0.985 544 D HN 0.574 nan 8.370 nan 0.000 0.493 545 A N 0.156 122.980 122.820 0.006 0.000 2.386 545 A HA 0.604 4.924 4.320 -0.000 0.000 0.311 545 A C -1.615 175.985 177.584 0.026 0.000 1.068 545 A CA -0.533 51.504 52.037 -0.001 0.000 0.743 545 A CB 1.602 20.599 19.000 -0.005 0.000 1.258 545 A HN 0.072 nan 8.150 nan 0.000 0.429 546 F N 2.225 122.063 119.950 -0.187 0.000 2.585 546 F HA 0.572 5.099 4.527 -0.000 0.000 0.319 546 F C -1.222 174.394 175.800 -0.306 0.000 1.165 546 F CA -0.463 57.398 58.000 -0.231 0.000 0.949 546 F CB 1.941 40.770 39.000 -0.285 0.000 1.218 546 F HN 0.398 nan 8.300 nan 0.000 0.453 547 V N 5.362 125.092 119.914 -0.306 0.000 2.444 547 V HA 0.632 4.752 4.120 -0.000 0.000 0.294 547 V C -0.175 175.749 176.094 -0.282 0.000 1.022 547 V CA -0.812 61.348 62.300 -0.233 0.000 0.850 547 V CB 1.574 33.341 31.823 -0.093 0.000 0.992 547 V HN 0.880 nan 8.190 nan 0.000 0.426 548 A N 3.779 126.430 122.820 -0.282 0.000 2.415 548 A HA 0.661 4.981 4.320 -0.000 0.000 0.309 548 A C 1.083 178.258 177.584 -0.682 0.000 1.356 548 A CA 0.306 52.072 52.037 -0.452 0.000 0.998 548 A CB 0.508 19.072 19.000 -0.726 0.000 1.145 548 A HN 1.262 nan 8.150 nan 0.000 0.545 549 A N 2.683 125.243 122.820 -0.433 0.000 2.275 549 A HA 0.438 4.758 4.320 -0.000 0.000 0.212 549 A C 0.679 178.191 177.584 -0.119 0.000 1.201 549 A CA 0.381 52.265 52.037 -0.256 0.000 0.843 549 A CB -0.840 18.090 19.000 -0.117 0.000 0.873 549 A HN 1.205 nan 8.150 nan 0.000 0.492 550 W N -1.916 119.437 121.300 0.088 0.000 1.865 550 W HA -0.293 4.367 4.660 -0.000 0.000 0.227 550 W C 0.056 176.549 176.519 -0.043 0.000 0.840 550 W CA 0.326 57.702 57.345 0.052 0.000 0.956 550 W CB -1.382 28.144 29.460 0.111 0.000 0.953 550 W HN 0.065 nan 8.180 nan 0.000 0.532 551 L N 2.813 124.186 121.223 0.250 0.000 2.371 551 L HA 0.249 4.588 4.340 -0.000 0.000 0.262 551 L C -1.377 175.552 176.870 0.098 0.000 1.054 551 L CA -1.641 53.242 54.840 0.073 0.000 0.924 551 L CB 0.759 42.804 42.059 -0.024 0.000 1.295 551 L HN 0.032 nan 8.230 nan 0.000 0.441 552 P HA 0.008 nan 4.420 nan 0.000 0.237 552 P C 0.944 178.238 177.300 -0.011 0.000 1.178 552 P CA 0.919 64.048 63.100 0.048 0.000 0.766 552 P CB 0.692 32.399 31.700 0.011 0.000 0.876 553 G N 0.963 109.737 108.800 -0.042 0.000 2.512 553 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.240 553 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.240 553 G C 1.045 175.838 174.900 -0.178 0.000 1.246 553 G CA 0.528 45.577 45.100 -0.086 0.000 0.919 553 G HN 0.303 nan 8.290 nan 0.000 0.577 554 S N -0.281 115.290 115.700 -0.215 0.000 2.436 554 S HA 0.142 4.612 4.470 -0.000 0.000 0.228 554 S C 0.805 175.289 174.600 -0.193 0.000 1.014 554 S CA 1.675 59.739 58.200 -0.227 0.000 0.950 554 S CB 0.162 63.239 63.200 -0.205 0.000 0.784 554 S HN 0.619 nan 8.310 nan 0.000 0.504 555 E N 2.235 122.323 120.200 -0.186 0.000 1.892 555 E HA 0.319 4.669 4.350 -0.000 0.000 0.271 555 E C 1.063 177.583 176.600 -0.133 0.000 1.146 555 E CA -0.084 56.220 56.400 -0.159 0.000 1.096 555 E CB -0.032 29.565 29.700 -0.171 0.000 1.155 555 E HN 0.525 nan 8.360 nan 0.000 0.458 556 G N 2.031 110.756 108.800 -0.125 0.000 2.498 556 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.219 556 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.219 556 G C 1.095 175.936 174.900 -0.098 0.000 1.119 556 G CA 0.304 45.341 45.100 -0.105 0.000 0.766 556 G HN 0.301 nan 8.290 nan 0.000 0.552 557 E N 0.514 120.650 120.200 -0.107 0.000 2.204 557 E HA 0.050 4.400 4.350 -0.000 0.000 0.194 557 E C 2.567 179.098 176.600 -0.115 0.000 0.989 557 E CA 0.677 57.015 56.400 -0.103 0.000 0.824 557 E CB -0.701 28.939 29.700 -0.100 0.000 0.756 557 E HN 0.285 nan 8.360 nan 0.000 0.477 558 G N 0.900 109.619 108.800 -0.134 0.000 2.475 558 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 558 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 558 G C 1.674 176.481 174.900 -0.154 0.000 1.125 558 G CA 1.016 46.014 45.100 -0.170 0.000 0.755 558 G HN 0.234 nan 8.290 nan 0.000 0.565 559 V N 1.232 121.081 119.914 -0.109 0.000 2.379 559 V HA -0.043 4.077 4.120 -0.000 0.000 0.245 559 V C 3.289 179.339 176.094 -0.073 0.000 1.044 559 V CA 1.799 64.047 62.300 -0.087 0.000 1.036 559 V CB -0.737 31.053 31.823 -0.055 0.000 0.664 559 V HN 0.466 nan 8.190 nan 0.000 0.453 560 A N 0.171 122.953 122.820 -0.065 0.000 1.940 560 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 560 A C 1.917 179.488 177.584 -0.020 0.000 1.176 560 A CA 2.129 54.141 52.037 -0.042 0.000 0.631 560 A CB -0.666 18.301 19.000 -0.056 0.000 0.814 560 A HN 0.550 nan 8.150 nan 0.000 0.446 561 D N -0.543 119.832 120.400 -0.041 0.000 2.218 561 D HA -0.078 4.562 4.640 -0.000 0.000 0.204 561 D C 1.901 178.264 176.300 0.105 0.000 0.976 561 D CA 1.434 55.458 54.000 0.041 0.000 0.853 561 D CB -0.153 40.565 40.800 -0.136 0.000 0.939 561 D HN 0.324 nan 8.370 nan 0.000 0.481 562 V N 0.392 120.271 119.914 -0.058 0.000 2.581 562 V HA -0.024 4.096 4.120 -0.000 0.000 0.240 562 V C 2.495 178.601 176.094 0.021 0.000 1.054 562 V CA 0.444 62.658 62.300 -0.144 0.000 1.076 562 V CB -0.175 31.295 31.823 -0.588 0.000 0.748 562 V HN 0.141 nan 8.190 nan 0.000 0.474 563 L N -0.259 120.985 121.223 0.035 0.000 2.141 563 L HA 0.001 4.341 4.340 -0.000 0.000 0.209 563 L C 0.731 177.659 176.870 0.097 0.000 1.094 563 L CA 0.863 55.788 54.840 0.143 0.000 0.763 563 L CB -0.309 41.809 42.059 0.098 0.000 0.908 563 L HN 0.263 nan 8.230 nan 0.000 0.437 564 L N -0.198 121.059 121.223 0.055 0.000 2.343 564 L HA 0.238 4.578 4.340 -0.000 0.000 0.275 564 L C 0.831 177.714 176.870 0.022 0.000 1.056 564 L CA -0.075 54.779 54.840 0.022 0.000 0.804 564 L CB 1.389 43.452 42.059 0.007 0.000 1.203 564 L HN 0.065 nan 8.230 nan 0.000 0.440 565 T N -0.719 113.826 114.554 -0.015 0.000 2.788 565 T HA 0.312 4.662 4.350 -0.000 0.000 0.287 565 T C 0.396 175.085 174.700 -0.018 0.000 1.007 565 T CA -0.777 61.306 62.100 -0.027 0.000 1.005 565 T CB 0.484 69.322 68.868 -0.050 0.000 1.012 565 T HN 0.633 nan 8.240 nan 0.000 0.530 566 N N 0.234 118.916 118.700 -0.029 0.000 2.366 566 N HA 0.120 4.860 4.740 -0.000 0.000 0.277 566 N C 1.133 176.625 175.510 -0.029 0.000 1.275 566 N CA -0.616 52.417 53.050 -0.028 0.000 0.964 566 N CB 0.363 38.824 38.487 -0.043 0.000 1.167 566 N HN 0.888 nan 8.380 nan 0.000 0.568 567 K N -1.082 119.302 120.400 -0.027 0.000 2.113 567 K HA -0.240 4.080 4.320 -0.000 0.000 0.208 567 K C 1.290 177.873 176.600 -0.028 0.000 1.047 567 K CA 1.676 57.947 56.287 -0.026 0.000 0.928 567 K CB -0.324 32.162 32.500 -0.024 0.000 0.716 567 K HN 0.435 nan 8.250 nan 0.000 0.446 568 Q N -0.090 119.691 119.800 -0.031 0.000 2.472 568 Q HA 0.105 4.444 4.340 -0.000 0.000 0.208 568 Q C 1.082 177.061 176.000 -0.035 0.000 0.958 568 Q CA 1.101 56.885 55.803 -0.032 0.000 0.932 568 Q CB 0.507 29.224 28.738 -0.034 0.000 1.007 568 Q HN 0.701 nan 8.270 nan 0.000 0.508 569 G N -0.108 108.669 108.800 -0.038 0.000 2.175 569 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.244 569 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.244 569 G C 0.118 174.988 174.900 -0.051 0.000 0.982 569 G CA 0.213 45.287 45.100 -0.043 0.000 0.641 569 G HN 0.224 nan 8.290 nan 0.000 0.527 570 K N 1.612 121.981 120.400 -0.051 0.000 2.098 570 K HA 0.641 4.961 4.320 -0.000 0.000 0.261 570 K C 0.778 177.342 176.600 -0.059 0.000 0.987 570 K CA -0.004 56.249 56.287 -0.056 0.000 0.916 570 K CB 0.427 32.893 32.500 -0.056 0.000 1.039 570 K HN 0.066 nan 8.250 nan 0.000 0.455 571 T N 3.851 118.372 114.554 -0.055 0.000 2.908 571 T HA -0.036 4.314 4.350 -0.000 0.000 0.301 571 T C 0.946 175.605 174.700 -0.068 0.000 1.019 571 T CA 0.165 62.250 62.100 -0.025 0.000 1.152 571 T CB 0.368 69.260 68.868 0.039 0.000 0.966 571 T HN 0.642 nan 8.240 nan 0.000 0.540 572 Q N 1.729 121.483 119.800 -0.076 0.000 2.304 572 Q HA 0.223 4.563 4.340 -0.000 0.000 0.204 572 Q C -0.334 175.308 176.000 -0.598 0.000 0.936 572 Q CA 0.527 56.158 55.803 -0.286 0.000 0.878 572 Q CB 0.397 29.022 28.738 -0.188 0.000 0.983 572 Q HN 0.567 nan 8.270 nan 0.000 0.516 573 F N 0.911 120.862 119.950 0.001 0.000 2.578 573 F HA 0.398 4.925 4.527 0.000 0.000 0.311 573 F C -0.458 175.311 175.800 -0.050 0.000 1.094 573 F CA -1.387 56.588 58.000 -0.043 0.000 0.923 573 F CB 1.991 40.930 39.000 -0.101 0.000 1.230 573 F HN -0.131 nan 8.300 nan 0.000 0.450 574 D N 0.953 121.403 120.400 0.084 0.000 2.340 574 D HA 0.325 4.965 4.640 -0.000 0.000 0.251 574 D C -0.630 175.498 176.300 -0.287 0.000 1.080 574 D CA -0.287 53.641 54.000 -0.121 0.000 0.971 574 D CB 0.870 41.655 40.800 -0.025 0.000 1.137 574 D HN 0.163 nan 8.370 nan 0.000 0.475 575 F N -0.039 119.667 119.950 -0.407 0.000 2.529 575 F HA 0.113 4.639 4.527 -0.000 0.000 0.365 575 F C 1.856 177.570 175.800 -0.144 0.000 1.102 575 F CA 0.481 58.328 58.000 -0.254 0.000 1.271 575 F CB 0.927 39.734 39.000 -0.322 0.000 1.120 575 F HN 0.328 nan 8.300 nan 0.000 0.579 576 T N -1.310 113.294 114.554 0.083 0.000 2.992 576 T HA 0.242 4.592 4.350 -0.000 0.000 0.255 576 T C 0.964 175.713 174.700 0.082 0.000 0.938 576 T CA 0.196 62.331 62.100 0.058 0.000 0.895 576 T CB -0.453 68.437 68.868 0.037 0.000 1.221 576 T HN 0.703 nan 8.240 nan 0.000 0.512 577 G N 1.970 110.851 108.800 0.135 0.000 2.265 577 G HA2 0.387 4.347 3.960 -0.000 0.000 0.240 577 G HA3 0.387 4.347 3.960 -0.000 0.000 0.240 577 G C -0.653 174.332 174.900 0.142 0.000 1.270 577 G CA -0.132 45.074 45.100 0.176 0.000 0.901 577 G HN 0.463 nan 8.290 nan 0.000 0.507 578 K N 1.502 121.970 120.400 0.114 0.000 2.371 578 K HA 0.292 4.612 4.320 -0.000 0.000 0.251 578 K C -0.709 175.944 176.600 0.088 0.000 0.934 578 K CA -1.106 55.224 56.287 0.072 0.000 0.798 578 K CB 2.297 34.796 32.500 -0.002 0.000 1.204 578 K HN 0.217 nan 8.250 nan 0.000 0.427 579 L N 2.225 123.539 121.223 0.152 0.000 2.540 579 L HA -0.055 4.285 4.340 -0.000 0.000 0.276 579 L C 1.210 177.990 176.870 -0.150 0.000 1.212 579 L CA 0.955 55.919 54.840 0.206 0.000 0.893 579 L CB 0.605 42.886 42.059 0.370 0.000 1.138 579 L HN 0.834 nan 8.230 nan 0.000 0.491 580 S N 2.176 117.831 115.700 -0.074 0.000 2.559 580 S HA 0.336 4.806 4.470 -0.000 0.000 0.226 580 S C 0.045 174.622 174.600 -0.039 0.000 1.000 580 S CA -0.336 57.703 58.200 -0.268 0.000 0.948 580 S CB -0.008 63.095 63.200 -0.160 0.000 0.870 580 S HN 0.256 nan 8.310 nan 0.000 0.497 581 F N 1.920 121.964 119.950 0.157 0.000 2.557 581 F HA 0.514 5.041 4.527 -0.000 0.000 0.316 581 F C 0.151 176.173 175.800 0.370 0.000 1.141 581 F CA -0.708 57.449 58.000 0.263 0.000 0.922 581 F CB 2.153 41.261 39.000 0.180 0.000 1.194 581 F HN -0.097 nan 8.300 nan 0.000 0.443 582 S N 3.251 119.281 115.700 0.550 0.000 2.546 582 S HA -0.060 4.410 4.470 -0.000 0.000 0.290 582 S C -0.614 174.257 174.600 0.450 0.000 1.290 582 S CA -0.293 58.216 58.200 0.514 0.000 1.069 582 S CB 0.373 63.882 63.200 0.515 0.000 0.846 582 S HN 0.506 nan 8.310 nan 0.000 0.495 583 W N 5.840 127.301 121.300 0.269 0.000 2.351 583 W HA 0.289 4.949 4.660 0.000 0.000 0.311 583 W C -2.680 173.873 176.519 0.057 0.000 1.168 583 W CA -2.544 54.922 57.345 0.203 0.000 1.200 583 W CB 1.212 30.824 29.460 0.255 0.000 1.221 583 W HN 0.385 nan 8.180 nan 0.000 0.519 584 P HA 0.088 nan 4.420 nan 0.000 0.279 584 P C 0.128 177.525 177.300 0.161 0.000 1.239 584 P CA 0.086 63.240 63.100 0.091 0.000 0.789 584 P CB 1.787 33.525 31.700 0.062 0.000 0.933 585 K N 2.029 122.419 120.400 -0.017 0.000 2.211 585 K HA 0.019 4.339 4.320 -0.000 0.000 0.201 585 K C -0.071 176.420 176.600 -0.181 0.000 1.052 585 K CA 0.813 56.960 56.287 -0.233 0.000 0.973 585 K CB 0.123 32.303 32.500 -0.533 0.000 0.766 585 K HN 0.432 nan 8.250 nan 0.000 0.466 586 Y N 0.493 120.836 120.300 0.072 0.000 2.549 586 Y HA 0.081 4.631 4.550 -0.000 0.000 0.339 586 Y C 0.663 176.096 175.900 -0.779 0.000 1.053 586 Y CA -1.270 56.634 58.100 -0.327 0.000 1.105 586 Y CB 1.171 39.463 38.460 -0.280 0.000 1.258 586 Y HN 0.067 nan 8.280 nan 0.000 0.478 587 D N -1.158 118.561 120.400 -1.134 0.000 2.363 587 D HA -0.108 4.532 4.640 -0.000 0.000 0.226 587 D C 0.270 176.218 176.300 -0.587 0.000 1.020 587 D CA 0.765 54.210 54.000 -0.925 0.000 0.892 587 D CB -0.271 39.931 40.800 -0.998 0.000 0.900 587 D HN 0.651 nan 8.370 nan 0.000 0.531 588 D N -0.944 119.074 120.400 -0.636 0.000 2.513 588 D HA -0.030 4.610 4.640 -0.000 0.000 0.222 588 D C 0.268 175.916 176.300 -1.086 0.000 1.210 588 D CA -0.280 53.061 54.000 -1.099 0.000 0.825 588 D CB -0.940 39.492 40.800 -0.613 0.000 1.037 588 D HN 0.090 nan 8.370 nan 0.000 0.506 589 Q N 0.523 119.989 119.800 -0.557 0.000 3.151 589 Q HA 0.123 4.463 4.340 -0.000 0.000 0.277 589 Q C 0.013 175.884 176.000 -0.214 0.000 1.343 589 Q CA -0.174 55.464 55.803 -0.275 0.000 0.925 589 Q CB -0.402 28.301 28.738 -0.058 0.000 1.771 589 Q HN 0.270 nan 8.270 nan 0.000 0.514 590 F N -0.268 119.707 119.950 0.042 0.000 2.269 590 F HA -0.108 4.419 4.527 -0.000 0.000 0.301 590 F C 1.580 177.431 175.800 0.085 0.000 1.082 590 F CA 0.495 58.528 58.000 0.054 0.000 1.360 590 F CB -0.150 38.869 39.000 0.032 0.000 1.041 590 F HN 0.089 nan 8.300 nan 0.000 0.512 591 T N -0.701 113.997 114.554 0.240 0.000 3.060 591 T HA 0.547 4.897 4.350 -0.000 0.000 0.367 591 T C -0.907 173.896 174.700 0.171 0.000 1.229 591 T CA -0.562 61.655 62.100 0.196 0.000 1.104 591 T CB 0.696 69.666 68.868 0.170 0.000 1.083 591 T HN 0.010 nan 8.240 nan 0.000 0.524 592 L N 3.560 124.903 121.223 0.200 0.000 2.353 592 L HA 0.638 4.978 4.340 -0.000 0.000 0.270 592 L C -1.423 175.639 176.870 0.319 0.000 1.003 592 L CA -0.308 54.679 54.840 0.246 0.000 0.862 592 L CB 0.824 43.004 42.059 0.200 0.000 1.221 592 L HN 0.589 nan 8.230 nan 0.000 0.430 593 N N 3.859 122.739 118.700 0.299 0.000 2.235 593 N HA 0.351 5.091 4.740 -0.000 0.000 0.293 593 N C -1.178 174.208 175.510 -0.206 0.000 1.083 593 N CA -0.683 52.434 53.050 0.112 0.000 0.801 593 N CB 2.708 41.218 38.487 0.038 0.000 1.559 593 N HN 0.463 nan 8.380 nan 0.000 0.472 594 L N 2.671 123.682 121.223 -0.354 0.000 2.615 594 L HA -0.033 4.307 4.340 -0.000 0.000 0.284 594 L C 0.618 177.189 176.870 -0.498 0.000 1.237 594 L CA 1.040 55.493 54.840 -0.644 0.000 0.905 594 L CB -0.399 41.286 42.059 -0.623 0.000 1.149 594 L HN 0.621 nan 8.230 nan 0.000 0.499 595 N N 1.199 119.590 118.700 -0.515 0.000 2.965 595 N HA -0.203 4.537 4.740 -0.000 0.000 0.232 595 N C -0.558 174.845 175.510 -0.180 0.000 0.913 595 N CA 1.188 54.070 53.050 -0.279 0.000 0.981 595 N CB -1.594 36.762 38.487 -0.218 0.000 1.077 595 N HN 0.725 nan 8.380 nan 0.000 0.589 596 D N 0.357 120.649 120.400 -0.180 0.000 2.450 596 D HA 0.325 4.965 4.640 -0.000 0.000 0.247 596 D C 1.426 177.742 176.300 0.028 0.000 1.162 596 D CA 0.786 54.775 54.000 -0.019 0.000 0.879 596 D CB 0.646 41.509 40.800 0.105 0.000 1.163 596 D HN 0.342 nan 8.370 nan 0.000 0.472 597 A N 3.334 126.170 122.820 0.025 0.000 1.997 597 A HA -0.206 4.114 4.320 -0.000 0.000 0.221 597 A C 0.915 178.538 177.584 0.065 0.000 1.172 597 A CA 1.620 53.677 52.037 0.033 0.000 0.645 597 A CB -0.119 18.896 19.000 0.026 0.000 0.813 597 A HN 0.619 nan 8.150 nan 0.000 0.454 598 D N -2.668 117.789 120.400 0.096 0.000 2.402 598 D HA 0.438 5.078 4.640 -0.000 0.000 0.252 598 D C -1.323 175.089 176.300 0.187 0.000 1.294 598 D CA -0.404 53.664 54.000 0.113 0.000 0.948 598 D CB 0.350 41.194 40.800 0.073 0.000 1.202 598 D HN 0.240 nan 8.370 nan 0.000 0.561 599 Y N 3.085 123.408 120.300 0.037 0.000 2.376 599 Y HA 0.380 4.930 4.550 -0.000 0.000 0.326 599 Y C -1.127 174.806 175.900 0.055 0.000 0.970 599 Y CA -0.802 57.327 58.100 0.048 0.000 1.248 599 Y CB 1.268 39.755 38.460 0.046 0.000 1.117 599 Y HN 0.241 nan 8.280 nan 0.000 0.476 600 D N 8.664 128.931 120.400 -0.220 0.000 2.613 600 D HA 0.289 4.929 4.640 -0.000 0.000 0.312 600 D C -2.943 173.197 176.300 -0.266 0.000 1.202 600 D CA -2.021 51.864 54.000 -0.191 0.000 0.825 600 D CB 1.006 41.800 40.800 -0.010 0.000 1.113 600 D HN 0.218 nan 8.370 nan 0.000 0.502 601 P HA 0.113 nan 4.420 nan 0.000 0.278 601 P C 0.873 177.996 177.300 -0.294 0.000 1.258 601 P CA -0.724 62.176 63.100 -0.332 0.000 0.811 601 P CB 1.848 33.309 31.700 -0.398 0.000 1.063 602 L N 0.995 122.046 121.223 -0.288 0.000 2.005 602 L HA 0.141 4.480 4.340 -0.000 0.000 0.207 602 L C 0.238 176.554 176.870 -0.924 0.000 1.072 602 L CA 1.970 56.447 54.840 -0.605 0.000 0.744 602 L CB -0.673 41.007 42.059 -0.633 0.000 0.895 602 L HN 0.209 nan 8.230 nan 0.000 0.433 603 F N -0.089 119.743 119.950 -0.197 0.000 2.507 603 F HA 0.656 5.183 4.527 -0.000 0.000 0.328 603 F C 0.498 176.289 175.800 -0.016 0.000 1.136 603 F CA -0.939 56.828 58.000 -0.388 0.000 0.930 603 F CB 0.461 38.993 39.000 -0.781 0.000 1.166 603 F HN -0.018 nan 8.300 nan 0.000 0.436 604 A N 2.583 125.545 122.820 0.237 0.000 2.346 604 A HA 0.252 4.572 4.320 -0.000 0.000 0.252 604 A C -0.694 177.192 177.584 0.504 0.000 1.089 604 A CA -0.348 51.924 52.037 0.392 0.000 0.797 604 A CB 0.007 19.259 19.000 0.419 0.000 1.047 604 A HN 0.773 nan 8.150 nan 0.000 0.494 605 Y N 0.445 121.003 120.300 0.430 0.000 2.904 605 Y HA 0.240 4.790 4.550 -0.000 0.000 0.336 605 Y C 1.479 177.534 175.900 0.258 0.000 1.263 605 Y CA 1.606 59.882 58.100 0.293 0.000 1.547 605 Y CB 0.240 38.797 38.460 0.161 0.000 1.272 605 Y HN 1.540 nan 8.280 nan 0.000 0.596 606 G N 3.281 112.006 108.800 -0.124 0.000 2.176 606 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.253 606 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.253 606 G C -0.412 174.561 174.900 0.121 0.000 0.979 606 G CA 0.118 45.216 45.100 -0.003 0.000 0.641 606 G HN 0.884 nan 8.290 nan 0.000 0.530 607 Y N 1.097 121.441 120.300 0.073 0.000 2.301 607 Y HA 0.524 5.074 4.550 0.000 0.000 0.325 607 Y C 0.554 176.451 175.900 -0.004 0.000 1.203 607 Y CA 0.450 58.589 58.100 0.064 0.000 1.255 607 Y CB 1.724 40.265 38.460 0.136 0.000 1.232 607 Y HN 0.862 nan 8.280 nan 0.000 0.501 608 G N 6.031 114.474 108.800 -0.594 0.000 2.174 608 G HA2 0.267 4.227 3.960 -0.000 0.000 0.312 608 G HA3 0.267 4.227 3.960 -0.000 0.000 0.312 608 G C -2.039 172.519 174.900 -0.571 0.000 1.663 608 G CA -1.001 43.835 45.100 -0.440 0.000 0.920 608 G HN 0.788 nan 8.290 nan 0.000 0.664 609 L N 1.686 122.556 121.223 -0.588 0.000 2.436 609 L HA 0.679 5.019 4.340 -0.000 0.000 0.265 609 L C 1.373 178.058 176.870 -0.308 0.000 1.168 609 L CA -0.361 54.223 54.840 -0.427 0.000 0.815 609 L CB 1.383 43.231 42.059 -0.352 0.000 1.109 609 L HN 0.773 nan 8.230 nan 0.000 0.462 610 T N -2.904 111.540 114.554 -0.183 0.000 2.807 610 T HA 0.318 4.668 4.350 -0.000 0.000 0.277 610 T C 0.876 175.577 174.700 0.002 0.000 1.006 610 T CA -0.536 61.494 62.100 -0.116 0.000 1.006 610 T CB 0.585 69.421 68.868 -0.054 0.000 1.274 610 T HN 0.420 nan 8.240 nan 0.000 0.569 611 Y N 0.094 120.449 120.300 0.092 0.000 2.373 611 Y HA -0.068 4.482 4.550 -0.000 0.000 0.293 611 Y C 3.028 178.939 175.900 0.019 0.000 1.129 611 Y CA -0.130 58.006 58.100 0.060 0.000 1.226 611 Y CB 0.053 38.562 38.460 0.081 0.000 1.000 611 Y HN 0.454 nan 8.280 nan 0.000 0.549 612 Q N 0.602 120.492 119.800 0.150 0.000 2.234 612 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 612 Q C -0.130 175.899 176.000 0.049 0.000 0.980 612 Q CA 1.009 56.859 55.803 0.078 0.000 0.869 612 Q CB -0.468 28.297 28.738 0.044 0.000 0.912 612 Q HN 0.444 nan 8.270 nan 0.000 0.436 613 D N 1.085 121.508 120.400 0.038 0.000 2.372 613 D HA 0.057 4.697 4.640 -0.000 0.000 0.243 613 D C 0.037 176.349 176.300 0.020 0.000 1.121 613 D CA 0.121 54.126 54.000 0.008 0.000 0.898 613 D CB 0.498 41.277 40.800 -0.035 0.000 1.202 613 D HN -0.087 nan 8.370 nan 0.000 0.428 614 N N 1.648 120.354 118.700 0.009 0.000 2.735 614 N HA 0.262 5.002 4.740 -0.000 0.000 0.312 614 N C -0.848 174.666 175.510 0.007 0.000 1.843 614 N CA -0.208 52.847 53.050 0.009 0.000 0.945 614 N CB 0.444 38.936 38.487 0.008 0.000 1.299 614 N HN 0.316 nan 8.380 nan 0.000 0.489 615 I N 0.059 120.632 120.570 0.004 0.000 2.436 615 I HA 0.361 4.531 4.170 -0.000 0.000 0.289 615 I C -0.332 175.793 176.117 0.014 0.000 1.010 615 I CA -0.885 60.422 61.300 0.012 0.000 1.098 615 I CB 1.735 39.745 38.000 0.016 0.000 1.266 615 I HN -0.132 nan 8.210 nan 0.000 0.434 616 N N 3.964 122.674 118.700 0.017 0.000 2.430 616 N HA 0.424 5.164 4.740 -0.000 0.000 0.292 616 N C -0.836 174.689 175.510 0.025 0.000 1.051 616 N CA -0.366 52.692 53.050 0.013 0.000 0.917 616 N CB 2.234 40.723 38.487 0.004 0.000 1.164 616 N HN 0.266 nan 8.380 nan 0.000 0.484 617 V N 4.661 124.589 119.914 0.023 0.000 2.383 617 V HA 0.361 4.481 4.120 -0.000 0.000 0.275 617 V C -1.716 174.369 176.094 -0.014 0.000 1.036 617 V CA -1.404 60.912 62.300 0.027 0.000 0.889 617 V CB 1.111 32.971 31.823 0.061 0.000 0.985 617 V HN 0.668 nan 8.190 nan 0.000 0.459 618 P HA 0.115 nan 4.420 nan 0.000 0.273 618 P C -0.223 177.041 177.300 -0.060 0.000 1.250 618 P CA -0.182 62.895 63.100 -0.039 0.000 0.793 618 P CB 0.587 32.263 31.700 -0.041 0.000 1.011 619 V N 1.499 121.382 119.914 -0.052 0.000 2.557 619 V HA -0.090 4.030 4.120 -0.000 0.000 0.301 619 V C 0.990 177.037 176.094 -0.078 0.000 1.026 619 V CA 0.573 62.837 62.300 -0.060 0.000 1.137 619 V CB -0.657 31.143 31.823 -0.039 0.000 0.917 619 V HN 0.314 nan 8.190 nan 0.000 0.484 620 L N 4.017 125.174 121.223 -0.109 0.000 2.400 620 L HA 0.445 4.785 4.340 -0.000 0.000 0.264 620 L C 0.629 177.450 176.870 -0.083 0.000 1.061 620 L CA 0.248 55.008 54.840 -0.134 0.000 0.799 620 L CB 1.449 43.373 42.059 -0.223 0.000 1.240 620 L HN 0.704 nan 8.230 nan 0.000 0.461 621 S N -0.179 115.492 115.700 -0.048 0.000 2.549 621 S HA 0.146 4.616 4.470 -0.000 0.000 0.279 621 S C 0.613 175.280 174.600 0.111 0.000 1.321 621 S CA -0.180 58.048 58.200 0.047 0.000 1.054 621 S CB 0.202 63.463 63.200 0.103 0.000 0.899 621 S HN 0.588 nan 8.310 nan 0.000 0.497 622 E N 1.878 122.164 120.200 0.144 0.000 2.501 622 E HA 0.089 4.439 4.350 -0.000 0.000 0.201 622 E C -0.331 176.504 176.600 0.392 0.000 1.016 622 E CA -0.260 56.275 56.400 0.225 0.000 0.920 622 E CB 0.423 30.182 29.700 0.098 0.000 1.023 622 E HN 0.362 nan 8.360 nan 0.000 0.474 623 K N 2.528 123.115 120.400 0.313 0.000 2.350 623 K HA 0.055 4.375 4.320 -0.000 0.000 0.279 623 K C -0.258 176.419 176.600 0.127 0.000 1.027 623 K CA 0.120 56.529 56.287 0.203 0.000 0.969 623 K CB 0.653 33.237 32.500 0.141 0.000 0.954 623 K HN -0.041 nan 8.250 nan 0.000 0.474 624 T N 0.547 115.115 114.554 0.024 0.000 2.885 624 T HA 0.508 4.858 4.350 -0.000 0.000 0.285 624 T C -0.295 174.342 174.700 -0.105 0.000 1.019 624 T CA -0.946 61.070 62.100 -0.141 0.000 1.010 624 T CB 1.252 70.086 68.868 -0.058 0.000 1.022 624 T HN 0.537 nan 8.240 nan 0.000 0.466 625 S N 2.588 118.187 115.700 -0.170 0.000 2.601 625 S HA 0.576 5.046 4.470 -0.000 0.000 0.271 625 S C -1.627 172.928 174.600 -0.076 0.000 1.305 625 S CA -1.004 57.120 58.200 -0.126 0.000 1.022 625 S CB -0.520 62.579 63.200 -0.169 0.000 0.940 625 S HN 0.874 nan 8.310 nan 0.000 0.525 635 H N 1.146 120.254 119.070 0.063 0.000 3.092 635 H HA 0.666 5.222 4.556 -0.000 0.000 0.308 635 H C -3.198 172.096 175.328 -0.058 0.000 1.047 635 H CA -1.358 54.715 56.048 0.042 0.000 1.466 635 H CB 1.643 31.491 29.762 0.144 0.000 1.597 635 H HN 0.484 nan 8.280 nan 0.000 0.512 636 P HA 0.064 nan 4.420 nan 0.000 0.271 636 P C 0.292 177.360 177.300 -0.386 0.000 1.216 636 P CA -0.048 62.891 63.100 -0.267 0.000 0.771 636 P CB 1.395 32.987 31.700 -0.179 0.000 0.864 637 L N 1.645 122.702 121.223 -0.277 0.000 2.435 637 L HA 0.320 4.660 4.340 -0.000 0.000 0.195 637 L C 0.625 177.402 176.870 -0.154 0.000 1.072 637 L CA 0.497 55.176 54.840 -0.269 0.000 0.833 637 L CB 0.031 41.927 42.059 -0.271 0.000 1.081 637 L HN 0.251 nan 8.230 nan 0.000 0.485 638 F N 1.366 121.196 119.950 -0.201 0.000 2.646 638 F HA 0.537 5.064 4.527 -0.000 0.000 0.364 638 F C -1.136 174.641 175.800 -0.039 0.000 1.137 638 F CA -0.646 57.289 58.000 -0.107 0.000 1.085 638 F CB 1.216 40.198 39.000 -0.031 0.000 1.331 638 F HN -0.401 nan 8.300 nan 0.000 0.472 639 V N 7.217 126.871 119.914 -0.434 0.000 2.340 639 V HA 0.389 4.509 4.120 -0.000 0.000 0.277 639 V C 0.648 176.443 176.094 -0.498 0.000 1.017 639 V CA -0.491 61.594 62.300 -0.359 0.000 0.820 639 V CB 1.074 32.782 31.823 -0.193 0.000 1.028 639 V HN 0.869 nan 8.190 nan 0.000 0.436 640 R N 1.908 122.061 120.500 -0.579 0.000 3.953 640 R HA -0.190 4.150 4.340 -0.000 0.000 0.448 640 R C 0.317 176.258 176.300 -0.598 0.000 1.016 640 R CA 1.347 57.153 56.100 -0.489 0.000 1.398 640 R CB -1.047 29.023 30.300 -0.384 0.000 2.021 640 R HN 1.071 nan 8.270 nan 0.000 0.538 641 S N -1.516 113.619 115.700 -0.943 0.000 2.683 641 S HA 0.307 4.777 4.470 -0.000 0.000 0.278 641 S C -0.525 173.766 174.600 -0.515 0.000 1.059 641 S CA -1.121 56.700 58.200 -0.632 0.000 0.847 641 S CB 0.796 63.862 63.200 -0.223 0.000 1.078 641 S HN 0.127 nan 8.310 nan 0.000 0.456 642 L N 2.250 123.449 121.223 -0.040 0.000 2.601 642 L HA 0.376 4.716 4.340 -0.000 0.000 0.277 642 L C 1.364 178.165 176.870 -0.115 0.000 1.219 642 L CA 0.534 55.373 54.840 -0.003 0.000 0.915 642 L CB 0.002 42.077 42.059 0.026 0.000 1.160 642 L HN 0.994 nan 8.230 nan 0.000 0.494 643 A N 4.940 127.667 122.820 -0.154 0.000 2.310 643 A HA 0.184 4.504 4.320 -0.000 0.000 0.260 643 A C 1.252 178.781 177.584 -0.092 0.000 1.112 643 A CA -0.358 51.597 52.037 -0.137 0.000 0.804 643 A CB 0.336 19.233 19.000 -0.172 0.000 1.081 643 A HN 0.772 nan 8.150 nan 0.000 0.499 644 K N 0.197 120.567 120.400 -0.050 0.000 2.113 644 K HA -0.164 4.156 4.320 -0.000 0.000 0.208 644 K C 0.959 177.559 176.600 -0.001 0.000 1.047 644 K CA 2.112 58.390 56.287 -0.014 0.000 0.928 644 K CB -0.325 32.182 32.500 0.012 0.000 0.716 644 K HN 0.719 nan 8.250 nan 0.000 0.446 645 N N -0.096 118.611 118.700 0.011 0.000 2.235 645 N HA 0.023 4.763 4.740 -0.000 0.000 0.209 645 N C -0.641 174.855 175.510 -0.023 0.000 1.122 645 N CA -0.001 53.077 53.050 0.046 0.000 0.845 645 N CB 0.310 38.891 38.487 0.155 0.000 1.004 645 N HN -0.071 nan 8.380 nan 0.000 0.499 646 M N -0.103 119.426 119.600 -0.118 0.000 2.363 646 M HA 0.362 4.842 4.480 -0.000 0.000 0.343 646 M C 0.052 176.228 176.300 -0.206 0.000 1.165 646 M CA -0.380 54.773 55.300 -0.245 0.000 1.046 646 M CB 0.855 33.243 32.600 -0.354 0.000 1.648 646 M HN -0.127 nan 8.290 nan 0.000 0.452 647 T N 1.316 115.730 114.554 -0.232 0.000 2.906 647 T HA 0.665 5.015 4.350 -0.000 0.000 0.295 647 T C -1.588 172.960 174.700 -0.253 0.000 1.075 647 T CA -0.402 61.596 62.100 -0.170 0.000 1.005 647 T CB 0.963 69.816 68.868 -0.026 0.000 1.136 647 T HN 0.563 nan 8.240 nan 0.000 0.498 648 W N 1.809 123.120 121.300 0.019 0.000 2.237 648 W HA 0.580 5.240 4.660 -0.000 0.000 0.335 648 W C 0.507 177.028 176.519 0.003 0.000 1.230 648 W CA -0.554 56.798 57.345 0.012 0.000 1.253 648 W CB 0.612 30.109 29.460 0.062 0.000 1.129 648 W HN 0.393 nan 8.180 nan 0.000 0.590 649 Q N 2.474 122.423 119.800 0.248 0.000 2.292 649 Q HA 0.443 4.783 4.340 -0.000 0.000 0.270 649 Q C -1.103 174.950 176.000 0.088 0.000 1.024 649 Q CA -0.747 55.133 55.803 0.129 0.000 0.768 649 Q CB 1.881 30.668 28.738 0.081 0.000 1.250 649 Q HN 0.348 nan 8.270 nan 0.000 0.447 650 L N 1.593 122.846 121.223 0.049 0.000 2.298 650 L HA 0.819 5.159 4.340 -0.000 0.000 0.284 650 L C -0.448 176.414 176.870 -0.013 0.000 1.013 650 L CA -0.907 53.925 54.840 -0.015 0.000 0.824 650 L CB 1.364 43.397 42.059 -0.044 0.000 1.221 650 L HN 0.540 nan 8.230 nan 0.000 0.418 651 A N 2.542 125.355 122.820 -0.012 0.000 2.310 651 A HA 0.645 4.965 4.320 -0.000 0.000 0.304 651 A C -0.693 176.893 177.584 0.003 0.000 1.231 651 A CA -0.669 51.371 52.037 0.005 0.000 0.799 651 A CB 0.795 19.811 19.000 0.027 0.000 1.162 651 A HN 0.752 nan 8.150 nan 0.000 0.486 652 D N 1.171 121.569 120.400 -0.004 0.000 2.478 652 D HA 0.412 5.052 4.640 -0.000 0.000 0.263 652 D C 1.239 177.548 176.300 0.014 0.000 1.153 652 D CA 0.250 54.252 54.000 0.003 0.000 1.038 652 D CB 0.152 40.946 40.800 -0.011 0.000 1.120 652 D HN 0.326 nan 8.370 nan 0.000 0.564 653 T N -3.303 111.262 114.554 0.017 0.000 3.014 653 T HA -0.011 4.339 4.350 -0.000 0.000 0.263 653 T C 1.606 176.313 174.700 0.012 0.000 1.078 653 T CA 0.831 62.941 62.100 0.018 0.000 1.135 653 T CB -0.378 68.502 68.868 0.020 0.000 0.895 653 T HN 0.231 nan 8.240 nan 0.000 0.480 654 S N 1.668 117.373 115.700 0.008 0.000 2.327 654 S HA 0.111 4.581 4.470 -0.000 0.000 0.213 654 S C 1.391 175.993 174.600 0.004 0.000 1.032 654 S CA 0.948 59.151 58.200 0.005 0.000 0.960 654 S CB -0.320 62.881 63.200 0.002 0.000 0.900 654 S HN 0.865 nan 8.310 nan 0.000 0.469 655 T N 0.600 115.155 114.554 0.002 0.000 2.897 655 T HA 0.456 4.806 4.350 -0.000 0.000 0.278 655 T C -0.271 174.431 174.700 0.004 0.000 0.981 655 T CA -0.870 61.231 62.100 0.001 0.000 0.973 655 T CB 0.556 69.422 68.868 -0.002 0.000 1.092 655 T HN 0.133 nan 8.240 nan 0.000 0.543 656 Q N 1.070 120.873 119.800 0.005 0.000 2.421 656 Q HA 0.164 4.504 4.340 -0.000 0.000 0.255 656 Q C 0.321 176.327 176.000 0.010 0.000 1.013 656 Q CA -0.477 55.332 55.803 0.009 0.000 0.895 656 Q CB 0.654 29.398 28.738 0.010 0.000 1.271 656 Q HN 0.635 nan 8.270 nan 0.000 0.460 657 K N -0.366 120.043 120.400 0.015 0.000 2.485 657 K HA 0.107 4.427 4.320 -0.000 0.000 0.277 657 K C -0.782 175.830 176.600 0.020 0.000 0.990 657 K CA -0.199 56.099 56.287 0.018 0.000 0.994 657 K CB 0.337 32.853 32.500 0.026 0.000 0.906 657 K HN 0.180 nan 8.250 nan 0.000 0.488 658 V N 4.382 124.308 119.914 0.021 0.000 2.370 658 V HA 0.159 4.279 4.120 -0.000 0.000 0.279 658 V C -0.204 175.920 176.094 0.049 0.000 1.029 658 V CA -0.946 61.370 62.300 0.026 0.000 0.870 658 V CB 0.911 32.742 31.823 0.014 0.000 0.984 658 V HN 0.573 nan 8.190 nan 0.000 0.451 659 L N 5.030 126.284 121.223 0.051 0.000 2.313 659 L HA 0.639 4.979 4.340 -0.000 0.000 0.282 659 L C 0.531 177.454 176.870 0.087 0.000 1.092 659 L CA 0.572 55.454 54.840 0.070 0.000 0.831 659 L CB 1.065 43.156 42.059 0.052 0.000 1.159 659 L HN 0.769 nan 8.230 nan 0.000 0.442 660 A N 1.876 124.782 122.820 0.144 0.000 2.330 660 A HA 0.629 4.949 4.320 -0.000 0.000 0.313 660 A C 0.344 178.069 177.584 0.234 0.000 1.124 660 A CA -0.107 52.032 52.037 0.170 0.000 0.774 660 A CB 1.233 20.337 19.000 0.174 0.000 1.198 660 A HN 0.716 nan 8.150 nan 0.000 0.465 661 S N 1.439 117.241 115.700 0.170 0.000 2.666 661 S HA 0.432 4.902 4.470 -0.000 0.000 0.239 661 S C 0.814 175.521 174.600 0.177 0.000 1.031 661 S CA 0.349 58.649 58.200 0.167 0.000 1.015 661 S CB 0.032 63.285 63.200 0.088 0.000 0.981 661 S HN 1.230 nan 8.310 nan 0.000 0.547 662 G N 0.602 109.498 108.800 0.160 0.000 2.702 662 G HA2 0.655 4.615 3.960 -0.000 0.000 0.254 662 G HA3 0.655 4.615 3.960 -0.000 0.000 0.254 662 G C 0.795 175.770 174.900 0.125 0.000 1.380 662 G CA -0.281 44.887 45.100 0.114 0.000 1.042 662 G HN 0.406 nan 8.290 nan 0.000 0.557 663 A N -1.160 121.693 122.820 0.055 0.000 2.132 663 A HA 0.467 4.787 4.320 -0.000 0.000 0.213 663 A C 1.313 178.847 177.584 -0.083 0.000 1.154 663 A CA 1.465 53.517 52.037 0.024 0.000 0.753 663 A CB -0.406 18.614 19.000 0.034 0.000 0.826 663 A HN 1.498 nan 8.150 nan 0.000 0.469 664 S N -2.459 113.185 115.700 -0.094 0.000 2.588 664 S HA 0.854 5.324 4.470 -0.000 0.000 0.275 664 S C -0.637 173.898 174.600 -0.108 0.000 1.130 664 S CA 0.008 58.120 58.200 -0.145 0.000 0.855 664 S CB 1.712 64.829 63.200 -0.138 0.000 1.116 664 S HN 1.661 nan 8.310 nan 0.000 0.472 665 A N 0.967 123.712 122.820 -0.126 0.000 2.566 665 A HA 0.895 5.215 4.320 -0.000 0.000 0.290 665 A C -0.467 177.063 177.584 -0.090 0.000 1.071 665 A CA -0.338 51.652 52.037 -0.078 0.000 0.658 665 A CB 0.835 19.816 19.000 -0.032 0.000 1.285 665 A HN 1.949 nan 8.150 nan 0.000 0.427 666 T N -1.121 113.394 114.554 -0.065 0.000 2.907 666 T HA 0.739 5.089 4.350 -0.000 0.000 0.292 666 T C 0.296 174.961 174.700 -0.057 0.000 1.043 666 T CA 0.138 62.196 62.100 -0.072 0.000 1.003 666 T CB 1.216 70.047 68.868 -0.062 0.000 1.084 666 T HN 1.968 nan 8.240 nan 0.000 0.483 667 S N 0.787 116.444 115.700 -0.072 0.000 2.589 667 S HA 0.371 4.841 4.470 -0.000 0.000 0.265 667 S C 1.853 176.430 174.600 -0.037 0.000 1.342 667 S CA -0.223 57.944 58.200 -0.055 0.000 1.005 667 S CB 0.043 63.200 63.200 -0.072 0.000 0.909 667 S HN 1.287 nan 8.310 nan 0.000 0.555 668 G N 1.054 109.840 108.800 -0.023 0.000 2.507 668 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.221 668 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.221 668 G C 0.842 175.731 174.900 -0.019 0.000 1.119 668 G CA 1.168 46.258 45.100 -0.016 0.000 0.751 668 G HN 0.967 nan 8.290 nan 0.000 0.574 669 D N -0.586 119.801 120.400 -0.021 0.000 2.340 669 D HA 0.050 4.690 4.640 -0.000 0.000 0.220 669 D C 1.169 177.455 176.300 -0.024 0.000 1.039 669 D CA 0.049 54.037 54.000 -0.019 0.000 0.866 669 D CB -0.278 40.513 40.800 -0.015 0.000 0.913 669 D HN 0.399 nan 8.370 nan 0.000 0.523 670 K N -1.162 119.219 120.400 -0.032 0.000 3.274 670 K HA -0.303 4.017 4.320 -0.000 0.000 0.300 670 K C 0.818 177.396 176.600 -0.036 0.000 1.230 670 K CA 1.231 57.496 56.287 -0.036 0.000 0.884 670 K CB -1.813 30.668 32.500 -0.032 0.000 1.242 670 K HN 0.362 nan 8.250 nan 0.000 0.467 671 Q N -1.376 118.402 119.800 -0.036 0.000 2.519 671 Q HA 0.150 4.490 4.340 -0.000 0.000 0.248 671 Q C 1.427 177.404 176.000 -0.040 0.000 0.804 671 Q CA 0.344 56.129 55.803 -0.030 0.000 0.979 671 Q CB 0.599 29.327 28.738 -0.016 0.000 1.282 671 Q HN 0.239 nan 8.270 nan 0.000 0.558 672 S N 0.631 116.304 115.700 -0.046 0.000 2.371 672 S HA 0.013 4.483 4.470 -0.000 0.000 0.224 672 S C 0.269 174.797 174.600 -0.121 0.000 1.029 672 S CA 0.686 58.858 58.200 -0.046 0.000 0.978 672 S CB 0.167 63.351 63.200 -0.028 0.000 0.833 672 S HN 0.135 nan 8.310 nan 0.000 0.466 673 L N 1.156 122.270 121.223 -0.183 0.000 2.438 673 L HA 0.587 4.927 4.340 -0.000 0.000 0.270 673 L C -1.867 174.860 176.870 -0.239 0.000 0.972 673 L CA -0.412 54.223 54.840 -0.342 0.000 0.831 673 L CB 1.424 43.212 42.059 -0.451 0.000 1.273 673 L HN 0.056 nan 8.230 nan 0.000 0.405 674 L N 5.155 126.231 121.223 -0.246 0.000 2.408 674 L HA 0.657 4.997 4.340 -0.000 0.000 0.268 674 L C -0.607 176.126 176.870 -0.228 0.000 0.986 674 L CA -0.538 54.193 54.840 -0.181 0.000 0.820 674 L CB 2.087 44.065 42.059 -0.136 0.000 1.303 674 L HN 0.709 nan 8.230 nan 0.000 0.411 675 M N 2.695 122.134 119.600 -0.270 0.000 2.383 675 M HA 0.505 4.985 4.480 -0.000 0.000 0.325 675 M C -1.344 174.701 176.300 -0.425 0.000 1.092 675 M CA -0.219 54.761 55.300 -0.535 0.000 0.961 675 M CB 1.882 34.169 32.600 -0.523 0.000 1.672 675 M HN 0.556 nan 8.290 nan 0.000 0.438 676 Q N 1.390 120.892 119.800 -0.497 0.000 2.605 676 Q HA 0.530 4.870 4.340 -0.000 0.000 0.296 676 Q C -1.135 174.696 176.000 -0.280 0.000 1.056 676 Q CA -0.490 55.148 55.803 -0.277 0.000 0.778 676 Q CB 2.596 31.248 28.738 -0.143 0.000 1.497 676 Q HN 0.882 nan 8.270 nan 0.000 0.443 677 S N -0.461 115.191 115.700 -0.081 0.000 2.554 677 S HA 0.715 5.185 4.470 -0.000 0.000 0.278 677 S C 0.328 174.917 174.600 -0.018 0.000 1.242 677 S CA -0.576 57.603 58.200 -0.034 0.000 1.051 677 S CB 0.853 64.100 63.200 0.079 0.000 0.986 677 S HN 0.440 nan 8.310 nan 0.000 0.502 678 V N -0.275 119.633 119.914 -0.009 0.000 3.103 678 V HA 0.682 4.802 4.120 -0.000 0.000 0.318 678 V C -0.941 175.168 176.094 0.025 0.000 1.114 678 V CA -1.260 61.054 62.300 0.024 0.000 1.020 678 V CB 1.671 33.564 31.823 0.117 0.000 1.085 678 V HN 0.892 nan 8.190 nan 0.000 0.446 679 N N 2.408 121.112 118.700 0.006 0.000 2.518 679 N HA 0.338 5.078 4.740 -0.000 0.000 0.254 679 N C 0.303 175.799 175.510 -0.024 0.000 0.979 679 N CA -0.562 52.467 53.050 -0.035 0.000 0.930 679 N CB 2.060 40.484 38.487 -0.104 0.000 1.152 679 N HN 0.649 nan 8.380 nan 0.000 0.505 680 L N 1.010 122.175 121.223 -0.096 0.000 2.049 680 L HA 0.084 4.424 4.340 -0.000 0.000 0.203 680 L C 1.343 178.074 176.870 -0.232 0.000 1.074 680 L CA 1.939 56.611 54.840 -0.280 0.000 0.749 680 L CB -0.339 41.432 42.059 -0.480 0.000 0.907 680 L HN 0.515 nan 8.230 nan 0.000 0.439 681 S N -3.261 112.327 115.700 -0.187 0.000 3.984 681 S HA 0.157 4.627 4.470 -0.000 0.000 0.221 681 S C 0.204 174.609 174.600 -0.326 0.000 1.149 681 S CA -0.468 57.567 58.200 -0.275 0.000 0.950 681 S CB -0.188 62.798 63.200 -0.356 0.000 1.216 681 S HN 0.189 nan 8.310 nan 0.000 0.547 682 Y N 2.849 123.079 120.300 -0.117 0.000 2.281 682 Y HA 0.485 5.035 4.550 -0.000 0.000 0.337 682 Y C 0.845 176.647 175.900 -0.163 0.000 1.304 682 Y CA -0.367 57.660 58.100 -0.120 0.000 1.465 682 Y CB 0.276 38.663 38.460 -0.121 0.000 1.350 682 Y HN 0.216 nan 8.280 nan 0.000 0.575 683 Q N 1.282 121.033 119.800 -0.082 0.000 2.297 683 Q HA 0.048 4.388 4.340 -0.000 0.000 0.267 683 Q C -0.150 175.765 176.000 -0.141 0.000 1.006 683 Q CA 0.061 55.702 55.803 -0.269 0.000 0.896 683 Q CB 0.530 28.866 28.738 -0.670 0.000 1.186 683 Q HN 0.714 nan 8.270 nan 0.000 0.392 684 E N 0.851 120.985 120.200 -0.111 0.000 2.637 684 E HA -0.220 4.130 4.350 -0.000 0.000 0.265 684 E C -0.287 176.351 176.600 0.064 0.000 1.073 684 E CA 0.811 57.203 56.400 -0.013 0.000 0.778 684 E CB -0.661 29.046 29.700 0.010 0.000 1.362 684 E HN 0.683 nan 8.360 nan 0.000 0.413 685 D N -0.775 119.666 120.400 0.068 0.000 2.339 685 D HA 0.105 4.745 4.640 -0.000 0.000 0.217 685 D C 0.937 177.394 176.300 0.262 0.000 1.050 685 D CA 0.845 54.905 54.000 0.100 0.000 0.856 685 D CB 0.235 41.083 40.800 0.080 0.000 0.922 685 D HN 0.255 nan 8.370 nan 0.000 0.518 686 G N -0.665 108.278 108.800 0.239 0.000 2.685 686 G HA2 0.651 4.611 3.960 -0.000 0.000 0.298 686 G HA3 0.651 4.611 3.960 -0.000 0.000 0.298 686 G C -0.824 174.143 174.900 0.112 0.000 1.277 686 G CA -0.929 44.334 45.100 0.271 0.000 0.986 686 G HN -0.099 nan 8.290 nan 0.000 0.487 687 R N -0.682 119.782 120.500 -0.059 0.000 2.575 687 R HA 0.562 4.902 4.340 -0.000 0.000 0.293 687 R C -0.044 175.981 176.300 -0.458 0.000 0.983 687 R CA -0.688 55.158 56.100 -0.423 0.000 0.887 687 R CB 1.697 31.480 30.300 -0.862 0.000 1.184 687 R HN 0.729 nan 8.270 nan 0.000 0.445 688 G N 1.773 110.223 108.800 -0.582 0.000 2.389 688 G HA2 0.681 4.641 3.960 -0.000 0.000 0.317 688 G HA3 0.681 4.641 3.960 -0.000 0.000 0.317 688 G C -1.065 173.311 174.900 -0.873 0.000 1.137 688 G CA -0.226 44.611 45.100 -0.438 0.000 0.870 688 G HN 0.299 nan 8.290 nan 0.000 0.496 689 F N -0.544 119.340 119.950 -0.111 0.000 2.578 689 F HA 0.416 4.943 4.527 -0.000 0.000 0.311 689 F C -0.087 175.671 175.800 -0.069 0.000 1.094 689 F CA -0.863 57.010 58.000 -0.211 0.000 0.923 689 F CB 2.653 41.461 39.000 -0.320 0.000 1.230 689 F HN 0.360 nan 8.300 nan 0.000 0.450 690 N N 1.917 120.598 118.700 -0.031 0.000 2.448 690 N HA 0.273 5.013 4.740 -0.000 0.000 0.279 690 N C -1.656 173.850 175.510 -0.007 0.000 1.025 690 N CA -0.674 52.418 53.050 0.071 0.000 0.898 690 N CB 1.597 40.086 38.487 0.002 0.000 1.303 690 N HN 0.479 nan 8.380 nan 0.000 0.495 691 W N 2.031 123.314 121.300 -0.028 0.000 2.390 691 W HA 0.356 5.016 4.660 -0.000 0.000 0.312 691 W C 0.822 177.315 176.519 -0.043 0.000 1.123 691 W CA -0.524 56.796 57.345 -0.041 0.000 1.202 691 W CB 1.542 30.957 29.460 -0.075 0.000 1.251 691 W HN 0.449 nan 8.180 nan 0.000 0.511 692 R N 1.590 122.177 120.500 0.145 0.000 2.541 692 R HA 0.409 4.749 4.340 -0.000 0.000 0.332 692 R C -0.022 176.318 176.300 0.067 0.000 0.951 692 R CA -0.008 56.141 56.100 0.082 0.000 1.136 692 R CB 1.351 31.673 30.300 0.037 0.000 1.449 692 R HN 0.360 nan 8.270 nan 0.000 0.531 693 A N 0.762 123.636 122.820 0.091 0.000 2.586 693 A HA 0.298 4.618 4.320 -0.000 0.000 0.290 693 A C -1.540 176.111 177.584 0.112 0.000 1.086 693 A CA -0.748 51.330 52.037 0.070 0.000 0.665 693 A CB 1.163 20.185 19.000 0.038 0.000 1.279 693 A HN 0.026 nan 8.150 nan 0.000 0.423 694 Q N 0.329 120.179 119.800 0.083 0.000 2.264 694 Q HA 0.458 4.798 4.340 -0.000 0.000 0.296 694 Q C -0.207 175.867 176.000 0.124 0.000 1.103 694 Q CA 1.439 57.303 55.803 0.102 0.000 0.967 694 Q CB 0.063 28.834 28.738 0.056 0.000 1.090 694 Q HN 1.752 nan 8.270 nan 0.000 0.379 695 A N 3.033 125.986 122.820 0.221 0.000 2.606 695 A HA 0.893 5.213 4.320 -0.000 0.000 0.293 695 A C -1.671 176.087 177.584 0.291 0.000 1.082 695 A CA -0.264 51.875 52.037 0.169 0.000 0.685 695 A CB 1.472 20.480 19.000 0.012 0.000 1.284 695 A HN 0.871 nan 8.150 nan 0.000 0.408 696 A N 0.560 123.485 122.820 0.175 0.000 2.330 696 A HA 0.667 4.987 4.320 -0.000 0.000 0.313 696 A C -0.947 176.714 177.584 0.128 0.000 1.124 696 A CA -0.430 51.732 52.037 0.209 0.000 0.774 696 A CB 0.826 19.901 19.000 0.125 0.000 1.198 696 A HN 1.900 nan 8.150 nan 0.000 0.465 697 L N 2.446 123.783 121.223 0.190 0.000 2.289 697 L HA 0.762 5.102 4.340 -0.000 0.000 0.285 697 L C -0.332 176.579 176.870 0.068 0.000 1.049 697 L CA 0.441 55.289 54.840 0.013 0.000 0.804 697 L CB 1.626 43.577 42.059 -0.180 0.000 1.195 697 L HN 0.491 nan 8.230 nan 0.000 0.428 698 S N 5.384 121.130 115.700 0.077 0.000 2.532 698 S HA 0.592 5.062 4.470 -0.000 0.000 0.299 698 S C -1.075 173.596 174.600 0.119 0.000 1.105 698 S CA -0.527 57.727 58.200 0.089 0.000 1.018 698 S CB 1.583 64.822 63.200 0.064 0.000 1.021 698 S HN 0.682 nan 8.310 nan 0.000 0.483 699 L N 3.297 124.532 121.223 0.020 0.000 2.257 699 L HA 0.671 5.011 4.340 -0.000 0.000 0.290 699 L C -0.599 176.125 176.870 -0.243 0.000 1.044 699 L CA 0.551 55.238 54.840 -0.254 0.000 0.810 699 L CB 0.545 42.347 42.059 -0.429 0.000 1.193 699 L HN 0.615 nan 8.230 nan 0.000 0.425 700 S N 3.428 118.966 115.700 -0.271 0.000 2.548 700 S HA 0.533 5.003 4.470 -0.000 0.000 0.286 700 S C -1.132 173.317 174.600 -0.252 0.000 1.098 700 S CA -0.447 57.650 58.200 -0.172 0.000 0.930 700 S CB 1.052 64.232 63.200 -0.032 0.000 1.070 700 S HN 0.389 nan 8.310 nan 0.000 0.480 701 Y N 1.854 122.124 120.300 -0.051 0.000 2.442 701 Y HA 0.152 4.702 4.550 -0.000 0.000 0.330 701 Y C 1.585 177.472 175.900 -0.022 0.000 1.129 701 Y CA -0.142 57.936 58.100 -0.036 0.000 1.365 701 Y CB 0.148 38.599 38.460 -0.015 0.000 1.233 701 Y HN 0.593 nan 8.280 nan 0.000 0.529 702 L N 1.671 122.957 121.223 0.105 0.000 2.046 702 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 702 L C 0.669 177.587 176.870 0.079 0.000 1.077 702 L CA 1.437 56.318 54.840 0.067 0.000 0.747 702 L CB -0.172 41.914 42.059 0.044 0.000 0.896 702 L HN 0.693 nan 8.230 nan 0.000 0.432 703 E N 0.680 120.939 120.200 0.098 0.000 2.176 703 E HA 0.313 4.663 4.350 -0.000 0.000 0.267 703 E C -2.541 174.102 176.600 0.071 0.000 0.893 703 E CA -2.756 53.685 56.400 0.068 0.000 0.761 703 E CB 1.126 30.851 29.700 0.042 0.000 1.133 703 E HN -0.076 nan 8.360 nan 0.000 0.409 704 P HA -0.005 nan 4.420 nan 0.000 0.264 704 P C -0.652 176.573 177.300 -0.124 0.000 1.229 704 P CA 0.100 63.189 63.100 -0.018 0.000 0.780 704 P CB 0.405 32.105 31.700 0.001 0.000 0.808 705 T N 5.063 119.424 114.554 -0.321 0.000 2.859 705 T HA 0.487 4.837 4.350 -0.000 0.000 0.281 705 T C -2.480 172.015 174.700 -0.341 0.000 1.005 705 T CA -2.271 59.649 62.100 -0.300 0.000 1.025 705 T CB 0.979 69.685 68.868 -0.270 0.000 0.977 705 T HN 0.161 nan 8.240 nan 0.000 0.458 706 P HA 0.253 nan 4.420 nan 0.000 0.272 706 P C -0.437 176.792 177.300 -0.117 0.000 1.230 706 P CA -0.809 62.213 63.100 -0.131 0.000 0.788 706 P CB 0.424 32.081 31.700 -0.071 0.000 0.949 707 L N 1.953 123.145 121.223 -0.051 0.000 2.439 707 L HA 0.168 4.508 4.340 -0.000 0.000 0.269 707 L C -0.020 176.893 176.870 0.071 0.000 1.179 707 L CA 0.175 55.042 54.840 0.045 0.000 0.828 707 L CB -0.228 41.881 42.059 0.083 0.000 1.106 707 L HN 0.294 nan 8.230 nan 0.000 0.467 708 D N 0.929 121.423 120.400 0.156 0.000 2.443 708 D HA 0.037 4.677 4.640 -0.000 0.000 0.239 708 D C 0.902 177.200 176.300 -0.002 0.000 1.136 708 D CA 1.041 55.071 54.000 0.050 0.000 0.879 708 D CB 0.867 41.666 40.800 -0.002 0.000 1.195 708 D HN 0.684 nan 8.370 nan 0.000 0.443 709 S N 2.122 117.782 115.700 -0.067 0.000 2.603 709 S HA -0.127 4.343 4.470 -0.000 0.000 0.229 709 S C 1.542 176.051 174.600 -0.150 0.000 0.972 709 S CA 0.234 58.386 58.200 -0.079 0.000 0.935 709 S CB 0.002 63.160 63.200 -0.071 0.000 0.769 709 S HN 0.450 nan 8.310 nan 0.000 0.536 710 K N 0.663 120.894 120.400 -0.281 0.000 2.103 710 K HA 0.021 4.341 4.320 -0.000 0.000 0.204 710 K C 0.247 176.551 176.600 -0.494 0.000 1.052 710 K CA 1.117 57.112 56.287 -0.487 0.000 0.945 710 K CB -0.144 31.868 32.500 -0.813 0.000 0.722 710 K HN 0.514 nan 8.250 nan 0.000 0.443 711 F N 0.616 120.562 119.950 -0.007 0.000 2.641 711 F HA 0.121 4.648 4.527 -0.000 0.000 0.302 711 F C 1.932 177.721 175.800 -0.019 0.000 1.098 711 F CA -0.084 57.923 58.000 0.012 0.000 1.318 711 F CB 0.251 39.282 39.000 0.051 0.000 1.035 711 F HN 0.020 nan 8.300 nan 0.000 0.551 712 S N -0.658 115.075 115.700 0.055 0.000 2.402 712 S HA -0.144 4.326 4.470 -0.000 0.000 0.229 712 S C 1.592 176.156 174.600 -0.059 0.000 1.021 712 S CA 1.456 59.660 58.200 0.006 0.000 0.974 712 S CB -1.055 62.121 63.200 -0.040 0.000 0.800 712 S HN 0.371 nan 8.310 nan 0.000 0.484 713 T N -1.238 113.255 114.554 -0.102 0.000 3.251 713 T HA 0.638 4.988 4.350 -0.000 0.000 0.259 713 T C 0.569 175.213 174.700 -0.093 0.000 0.998 713 T CA -0.157 61.849 62.100 -0.157 0.000 0.905 713 T CB 0.369 69.117 68.868 -0.200 0.000 1.067 713 T HN 0.467 nan 8.240 nan 0.000 0.569 714 G N 0.133 108.907 108.800 -0.044 0.000 3.217 714 G HA2 0.681 4.641 3.960 -0.000 0.000 0.213 714 G HA3 0.681 4.641 3.960 -0.000 0.000 0.213 714 G C -1.698 173.074 174.900 -0.212 0.000 1.294 714 G CA -1.180 43.936 45.100 0.026 0.000 0.987 714 G HN 0.354 nan 8.290 nan 0.000 0.584 715 Y N -1.359 119.017 120.300 0.126 0.000 2.499 715 Y HA 0.550 5.100 4.550 -0.000 0.000 0.347 715 Y C -0.276 175.622 175.900 -0.005 0.000 0.987 715 Y CA -0.765 57.366 58.100 0.052 0.000 1.044 715 Y CB 2.525 41.008 38.460 0.039 0.000 1.245 715 Y HN 0.451 nan 8.280 nan 0.000 0.461 716 L N 3.033 124.325 121.223 0.116 0.000 2.275 716 L HA 0.479 4.819 4.340 -0.000 0.000 0.288 716 L C -0.457 176.457 176.870 0.074 0.000 1.046 716 L CA -0.008 54.860 54.840 0.046 0.000 0.805 716 L CB 0.940 43.006 42.059 0.013 0.000 1.193 716 L HN 0.755 nan 8.230 nan 0.000 0.426 717 E N 5.888 126.115 120.200 0.045 0.000 2.256 717 E HA 0.751 5.101 4.350 -0.000 0.000 0.267 717 E C -1.674 174.954 176.600 0.047 0.000 0.892 717 E CA -0.838 55.587 56.400 0.041 0.000 0.775 717 E CB 1.650 31.366 29.700 0.025 0.000 1.207 717 E HN 0.712 nan 8.360 nan 0.000 0.420 718 L N -0.155 121.108 121.223 0.068 0.000 2.710 718 L HA 0.615 4.955 4.340 -0.000 0.000 0.260 718 L C -1.660 175.304 176.870 0.157 0.000 0.993 718 L CA -1.154 53.757 54.840 0.119 0.000 0.877 718 L CB 1.812 43.955 42.059 0.140 0.000 1.461 718 L HN 0.335 nan 8.230 nan 0.000 0.413 719 K N 2.064 122.598 120.400 0.223 0.000 2.138 719 K HA 0.746 5.066 4.320 -0.000 0.000 0.263 719 K C -1.163 175.772 176.600 0.558 0.000 0.965 719 K CA -0.615 55.877 56.287 0.343 0.000 0.868 719 K CB 2.034 34.666 32.500 0.220 0.000 1.083 719 K HN 0.751 nan 8.250 nan 0.000 0.443 720 M N 2.453 122.399 119.600 0.577 0.000 2.322 720 M HA 0.303 4.783 4.480 -0.000 0.000 0.286 720 M C -1.749 174.590 176.300 0.065 0.000 1.111 720 M CA -0.623 54.888 55.300 0.352 0.000 0.941 720 M CB 2.183 34.952 32.600 0.282 0.000 1.671 720 M HN 0.604 nan 8.290 nan 0.000 0.470 721 R N 4.710 124.935 120.500 -0.459 0.000 2.599 721 R HA 0.683 5.023 4.340 -0.000 0.000 0.295 721 R C -1.740 174.411 176.300 -0.249 0.000 0.963 721 R CA -0.502 55.257 56.100 -0.569 0.000 0.883 721 R CB 1.489 30.964 30.300 -1.375 0.000 1.171 721 R HN 0.803 nan 8.270 nan 0.000 0.450 722 I N 4.985 125.486 120.570 -0.116 0.000 2.359 722 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 722 I C 0.129 176.179 176.117 -0.111 0.000 1.018 722 I CA -0.553 60.705 61.300 -0.070 0.000 1.173 722 I CB 1.691 39.684 38.000 -0.012 0.000 1.326 722 I HN 0.676 nan 8.210 nan 0.000 0.462 723 D N 4.446 124.771 120.400 -0.124 0.000 2.137 723 D HA -0.079 4.561 4.640 -0.000 0.000 0.202 723 D C 0.840 177.065 176.300 -0.126 0.000 0.970 723 D CA 1.308 55.226 54.000 -0.136 0.000 0.837 723 D CB 0.371 41.093 40.800 -0.129 0.000 0.981 723 D HN 0.378 nan 8.370 nan 0.000 0.475 724 K N 0.654 120.989 120.400 -0.108 0.000 2.502 724 K HA 0.525 4.845 4.320 -0.000 0.000 0.254 724 K C -1.174 175.348 176.600 -0.130 0.000 0.947 724 K CA -0.616 55.603 56.287 -0.112 0.000 0.834 724 K CB 1.937 34.381 32.500 -0.094 0.000 1.112 724 K HN -0.121 nan 8.250 nan 0.000 0.427 725 A N 5.262 128.005 122.820 -0.129 0.000 2.488 725 A HA 0.281 4.601 4.320 -0.000 0.000 0.249 725 A C -2.090 175.391 177.584 -0.172 0.000 1.083 725 A CA -1.132 50.816 52.037 -0.150 0.000 0.768 725 A CB -0.357 18.568 19.000 -0.125 0.000 1.017 725 A HN 0.648 nan 8.150 nan 0.000 0.496 726 P HA 0.099 nan 4.420 nan 0.000 0.273 726 P C 0.231 177.424 177.300 -0.179 0.000 1.319 726 P CA -0.032 62.914 63.100 -0.257 0.000 0.885 726 P CB 0.359 31.811 31.700 -0.413 0.000 1.015 727 E N 3.052 123.172 120.200 -0.134 0.000 2.070 727 E HA -0.235 4.115 4.350 -0.000 0.000 0.197 727 E C 0.935 177.480 176.600 -0.093 0.000 1.004 727 E CA 1.182 57.523 56.400 -0.099 0.000 0.805 727 E CB -0.507 29.146 29.700 -0.077 0.000 0.744 727 E HN 0.507 nan 8.360 nan 0.000 0.451 728 Q N 0.878 120.618 119.800 -0.101 0.000 2.242 728 Q HA 0.232 4.572 4.340 -0.000 0.000 0.246 728 Q C -0.372 175.562 176.000 -0.109 0.000 0.883 728 Q CA 0.085 55.835 55.803 -0.087 0.000 0.984 728 Q CB 0.803 29.500 28.738 -0.069 0.000 1.096 728 Q HN 0.381 nan 8.270 nan 0.000 0.452 729 G N 0.334 109.054 108.800 -0.133 0.000 2.716 729 G HA2 0.008 3.968 3.960 -0.000 0.000 0.686 729 G HA3 0.008 3.968 3.960 -0.000 0.000 0.686 729 G C -0.955 173.814 174.900 -0.219 0.000 1.337 729 G CA -0.479 44.540 45.100 -0.136 0.000 0.829 729 G HN 0.431 nan 8.290 nan 0.000 0.599 730 A N 0.876 123.568 122.820 -0.214 0.000 2.539 730 A HA 0.857 5.177 4.320 -0.000 0.000 0.296 730 A C -0.438 177.185 177.584 0.066 0.000 1.073 730 A CA -0.203 51.638 52.037 -0.327 0.000 0.700 730 A CB 2.145 20.546 19.000 -0.998 0.000 1.296 730 A HN 1.633 nan 8.150 nan 0.000 0.405 731 N N 0.202 118.951 118.700 0.081 0.000 2.372 731 N HA 0.553 5.293 4.740 -0.000 0.000 0.285 731 N C -1.504 174.200 175.510 0.324 0.000 1.008 731 N CA -0.370 52.804 53.050 0.206 0.000 0.880 731 N CB 1.427 39.964 38.487 0.083 0.000 1.239 731 N HN 0.574 nan 8.380 nan 0.000 0.484 732 L N 2.827 124.232 121.223 0.303 0.000 2.264 732 L HA 0.466 4.806 4.340 -0.000 0.000 0.287 732 L C -0.630 176.293 176.870 0.089 0.000 1.039 732 L CA -0.147 54.810 54.840 0.194 0.000 0.829 732 L CB 0.605 42.652 42.059 -0.021 0.000 1.211 732 L HN 0.563 nan 8.230 nan 0.000 0.427 733 Q N 3.089 122.944 119.800 0.091 0.000 2.241 733 Q HA 0.650 4.990 4.340 -0.000 0.000 0.254 733 Q C -1.225 174.803 176.000 0.047 0.000 0.917 733 Q CA -0.517 55.321 55.803 0.058 0.000 0.919 733 Q CB 2.293 31.068 28.738 0.062 0.000 1.237 733 Q HN 0.533 nan 8.270 nan 0.000 0.434 734 V N 4.193 124.124 119.914 0.029 0.000 2.487 734 V HA 0.315 4.435 4.120 -0.000 0.000 0.298 734 V C -0.323 175.791 176.094 0.033 0.000 1.028 734 V CA -0.816 61.499 62.300 0.025 0.000 0.860 734 V CB 1.689 33.514 31.823 0.003 0.000 0.991 734 V HN 0.871 nan 8.190 nan 0.000 0.427 735 M N 2.843 122.473 119.600 0.050 0.000 2.691 735 M HA -0.153 4.327 4.480 -0.000 0.000 0.185 735 M C -0.301 176.034 176.300 0.059 0.000 0.998 735 M CA 0.349 55.689 55.300 0.068 0.000 0.632 735 M CB -1.989 30.645 32.600 0.056 0.000 1.219 735 M HN 0.708 nan 8.290 nan 0.000 0.829 736 c N 1.167 119.806 118.600 0.066 0.000 2.369 736 c HA 0.647 5.217 4.570 -0.000 0.000 0.358 736 c C 1.438 175.560 174.090 0.054 0.000 1.274 736 c CA -0.028 56.333 56.329 0.054 0.000 1.935 736 c CB 1.175 43.717 42.510 0.053 0.000 2.431 736 c HN 0.824 nan 8.230 nan 0.000 0.545 737 S N 2.428 118.150 115.700 0.037 0.000 2.666 737 S HA 0.303 4.773 4.470 -0.000 0.000 0.279 737 S C 0.917 175.534 174.600 0.029 0.000 1.149 737 S CA -0.244 57.973 58.200 0.028 0.000 1.020 737 S CB 0.379 63.589 63.200 0.016 0.000 1.127 737 S HN 0.697 nan 8.310 nan 0.000 0.537 738 E N 1.038 121.251 120.200 0.022 0.000 2.065 738 E HA -0.166 4.184 4.350 -0.000 0.000 0.201 738 E C 2.361 178.973 176.600 0.020 0.000 1.016 738 E CA 2.399 58.811 56.400 0.021 0.000 0.818 738 E CB -0.559 29.150 29.700 0.015 0.000 0.749 738 E HN 0.718 nan 8.360 nan 0.000 0.453 739 S N -0.439 115.272 115.700 0.017 0.000 2.345 739 S HA -0.059 4.411 4.470 -0.000 0.000 0.219 739 S C 0.904 175.515 174.600 0.018 0.000 1.031 739 S CA 0.646 58.855 58.200 0.016 0.000 0.984 739 S CB 0.073 63.279 63.200 0.011 0.000 0.874 739 S HN 0.245 nan 8.310 nan 0.000 0.451 740 N N -0.351 118.362 118.700 0.021 0.000 4.389 740 N HA 0.110 4.850 4.740 -0.000 0.000 0.182 740 N C -2.207 173.315 175.510 0.021 0.000 1.101 740 N CA -0.330 52.730 53.050 0.017 0.000 1.036 740 N CB 0.912 39.406 38.487 0.012 0.000 1.596 740 N HN 0.268 nan 8.380 nan 0.000 0.880 741 c N 3.520 122.132 118.600 0.020 0.000 2.329 741 c HA 0.349 4.919 4.570 -0.000 0.000 0.329 741 c C 2.152 176.250 174.090 0.014 0.000 1.275 741 c CA -0.658 55.685 56.329 0.023 0.000 1.726 741 c CB 0.435 42.961 42.510 0.028 0.000 2.291 741 c HN 0.804 nan 8.230 nan 0.000 0.514 742 L N 1.944 123.176 121.223 0.015 0.000 2.291 742 L HA 0.121 4.461 4.340 -0.000 0.000 0.214 742 L C 0.646 177.513 176.870 -0.006 0.000 1.120 742 L CA 1.676 56.520 54.840 0.007 0.000 0.799 742 L CB -0.198 41.871 42.059 0.016 0.000 0.925 742 L HN 0.627 nan 8.230 nan 0.000 0.446 743 R N 0.365 120.863 120.500 -0.002 0.000 2.621 743 R HA 0.373 4.713 4.340 -0.000 0.000 0.284 743 R C -1.574 174.726 176.300 -0.000 0.000 0.998 743 R CA -0.589 55.504 56.100 -0.012 0.000 0.895 743 R CB 1.441 31.725 30.300 -0.026 0.000 1.195 743 R HN -0.081 nan 8.270 nan 0.000 0.450 744 D N 3.282 123.682 120.400 -0.000 0.000 2.473 744 D HA 0.421 5.061 4.640 -0.000 0.000 0.253 744 D C -0.854 175.457 176.300 0.018 0.000 1.233 744 D CA -0.324 53.685 54.000 0.016 0.000 0.908 744 D CB 0.897 41.708 40.800 0.017 0.000 1.170 744 D HN 0.429 nan 8.370 nan 0.000 0.558 745 I N 2.492 123.080 120.570 0.031 0.000 2.447 745 I HA 0.175 4.345 4.170 -0.000 0.000 0.287 745 I C -0.240 175.939 176.117 0.102 0.000 1.023 745 I CA -0.874 60.451 61.300 0.041 0.000 1.083 745 I CB 1.952 39.942 38.000 -0.018 0.000 1.245 745 I HN 0.059 nan 8.210 nan 0.000 0.434 746 D N 5.509 125.971 120.400 0.104 0.000 2.417 746 D HA 0.054 4.694 4.640 -0.000 0.000 0.250 746 D C 0.908 177.278 176.300 0.116 0.000 1.166 746 D CA 0.273 54.344 54.000 0.117 0.000 0.881 746 D CB 0.764 41.600 40.800 0.061 0.000 1.164 746 D HN 0.312 nan 8.370 nan 0.000 0.467 747 F N 1.340 121.232 119.950 -0.095 0.000 2.192 747 F HA -0.235 4.292 4.527 -0.000 0.000 0.301 747 F C 2.663 178.143 175.800 -0.534 0.000 1.079 747 F CA 1.362 59.096 58.000 -0.443 0.000 1.303 747 F CB -0.397 38.364 39.000 -0.399 0.000 1.024 747 F HN 0.341 nan 8.300 nan 0.000 0.494 748 S N -1.123 114.517 115.700 -0.099 0.000 2.547 748 S HA -0.113 4.357 4.470 -0.000 0.000 0.235 748 S C 1.809 176.353 174.600 -0.093 0.000 0.980 748 S CA 0.828 58.960 58.200 -0.114 0.000 0.941 748 S CB -0.810 62.353 63.200 -0.062 0.000 0.763 748 S HN 0.365 nan 8.310 nan 0.000 0.532 749 S N 0.532 116.204 115.700 -0.046 0.000 2.575 749 S HA 0.248 4.718 4.470 -0.000 0.000 0.215 749 S C 0.762 175.438 174.600 0.128 0.000 0.966 749 S CA -0.349 57.877 58.200 0.044 0.000 0.911 749 S CB -0.773 62.474 63.200 0.079 0.000 0.780 749 S HN 0.847 nan 8.310 nan 0.000 0.514 750 F N 0.172 120.073 119.950 -0.081 0.000 2.880 750 F HA 0.474 5.001 4.527 -0.000 0.000 0.328 750 F C 1.482 177.226 175.800 -0.092 0.000 1.146 750 F CA -0.179 57.762 58.000 -0.099 0.000 1.135 750 F CB -0.370 38.549 39.000 -0.135 0.000 1.151 750 F HN 0.142 nan 8.300 nan 0.000 0.523 751 S N 0.223 115.705 115.700 -0.363 0.000 2.392 751 S HA -0.354 4.116 4.470 -0.000 0.000 0.232 751 S C 1.914 176.429 174.600 -0.142 0.000 1.041 751 S CA 1.957 59.990 58.200 -0.278 0.000 1.026 751 S CB -0.555 62.522 63.200 -0.206 0.000 0.845 751 S HN 0.525 nan 8.310 nan 0.000 0.465 752 Q N 0.443 120.192 119.800 -0.084 0.000 2.291 752 Q HA 0.163 4.503 4.340 -0.000 0.000 0.205 752 Q C 1.957 177.918 176.000 -0.064 0.000 0.970 752 Q CA 0.823 56.591 55.803 -0.057 0.000 0.876 752 Q CB -0.538 28.180 28.738 -0.033 0.000 0.935 752 Q HN 0.509 nan 8.270 nan 0.000 0.455 753 L N -0.564 120.620 121.223 -0.065 0.000 2.217 753 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 753 L C 1.147 177.822 176.870 -0.325 0.000 1.107 753 L CA 1.320 56.083 54.840 -0.129 0.000 0.783 753 L CB -0.324 41.718 42.059 -0.027 0.000 0.919 753 L HN 0.379 nan 8.230 nan 0.000 0.442 754 M N -2.248 117.228 119.600 -0.207 0.000 2.313 754 M HA 0.189 4.669 4.480 -0.000 0.000 0.273 754 M C 1.960 178.223 176.300 -0.062 0.000 1.049 754 M CA 0.294 55.483 55.300 -0.185 0.000 1.004 754 M CB -0.641 31.918 32.600 -0.069 0.000 1.461 754 M HN 0.079 nan 8.290 nan 0.000 0.514 755 A N 1.753 124.533 122.820 -0.066 0.000 2.131 755 A HA -0.178 4.142 4.320 -0.000 0.000 0.220 755 A C 1.574 179.156 177.584 -0.003 0.000 1.158 755 A CA 1.988 54.001 52.037 -0.040 0.000 0.665 755 A CB -0.799 18.176 19.000 -0.042 0.000 0.795 755 A HN 0.583 nan 8.150 nan 0.000 0.460 756 D N -1.034 119.396 120.400 0.051 0.000 2.371 756 D HA -0.104 4.536 4.640 -0.000 0.000 0.221 756 D C 0.577 176.900 176.300 0.040 0.000 0.986 756 D CA 0.672 54.713 54.000 0.069 0.000 0.899 756 D CB -0.543 40.331 40.800 0.124 0.000 0.902 756 D HN 0.470 nan 8.370 nan 0.000 0.530 757 K N -1.369 119.046 120.400 0.026 0.000 3.160 757 K HA -0.182 4.138 4.320 -0.000 0.000 0.280 757 K C -0.067 176.478 176.600 -0.091 0.000 1.154 757 K CA 0.750 57.007 56.287 -0.050 0.000 0.822 757 K CB -2.165 30.283 32.500 -0.088 0.000 1.239 757 K HN 0.283 nan 8.250 nan 0.000 0.489 758 S N -1.080 114.600 115.700 -0.034 0.000 2.798 758 S HA 0.616 5.086 4.470 -0.000 0.000 0.312 758 S C -0.962 173.474 174.600 -0.275 0.000 1.122 758 S CA -0.924 57.184 58.200 -0.155 0.000 0.949 758 S CB 0.682 63.832 63.200 -0.083 0.000 1.235 758 S HN 0.307 nan 8.310 nan 0.000 0.552 759 W N 1.944 123.115 121.300 -0.216 0.000 2.216 759 W HA 0.396 5.056 4.660 -0.000 0.000 0.326 759 W C 0.517 176.730 176.519 -0.510 0.000 1.319 759 W CA 0.017 57.244 57.345 -0.198 0.000 1.213 759 W CB 0.372 29.766 29.460 -0.110 0.000 1.171 759 W HN 0.482 nan 8.180 nan 0.000 0.557 760 H N 1.127 120.388 119.070 0.318 0.000 2.865 760 H HA 0.245 4.801 4.556 -0.000 0.000 0.362 760 H C -0.770 174.669 175.328 0.186 0.000 1.114 760 H CA -0.866 55.300 56.048 0.197 0.000 1.208 760 H CB 1.716 31.557 29.762 0.132 0.000 1.727 760 H HN 0.096 nan 8.280 nan 0.000 0.534 761 T N 4.123 118.807 114.554 0.217 0.000 2.749 761 T HA 0.329 4.679 4.350 -0.000 0.000 0.295 761 T C 0.634 175.389 174.700 0.092 0.000 0.936 761 T CA -0.519 61.661 62.100 0.135 0.000 1.060 761 T CB 0.234 69.144 68.868 0.070 0.000 0.904 761 T HN 0.193 nan 8.240 nan 0.000 0.500 762 L N 2.851 124.112 121.223 0.064 0.000 2.296 762 L HA 0.691 5.031 4.340 -0.000 0.000 0.286 762 L C 0.247 177.109 176.870 -0.013 0.000 1.023 762 L CA -1.102 53.731 54.840 -0.011 0.000 0.812 762 L CB 1.397 43.414 42.059 -0.070 0.000 1.223 762 L HN 0.636 nan 8.230 nan 0.000 0.421 763 A N 5.466 128.273 122.820 -0.022 0.000 2.271 763 A HA 0.761 5.081 4.320 -0.000 0.000 0.317 763 A C -0.495 177.155 177.584 0.109 0.000 1.245 763 A CA -0.372 51.688 52.037 0.038 0.000 0.857 763 A CB 0.298 19.263 19.000 -0.060 0.000 1.175 763 A HN 0.692 nan 8.150 nan 0.000 0.512 764 I N 4.801 125.469 120.570 0.163 0.000 2.428 764 I HA 0.277 4.447 4.170 -0.000 0.000 0.279 764 I C -2.269 173.893 176.117 0.075 0.000 1.040 764 I CA -2.190 59.155 61.300 0.076 0.000 1.171 764 I CB 1.848 39.833 38.000 -0.024 0.000 1.312 764 I HN 0.411 nan 8.210 nan 0.000 0.470 765 P HA 0.014 nan 4.420 nan 0.000 0.262 765 P C 0.567 177.755 177.300 -0.187 0.000 1.182 765 P CA 0.247 63.130 63.100 -0.362 0.000 0.761 765 P CB 1.061 32.613 31.700 -0.246 0.000 0.795 766 L N 1.673 122.784 121.223 -0.186 0.000 2.446 766 L HA 0.038 4.378 4.340 -0.000 0.000 0.219 766 L C 1.264 178.131 176.870 -0.005 0.000 1.116 766 L CA 0.576 55.381 54.840 -0.059 0.000 0.844 766 L CB -0.573 41.479 42.059 -0.012 0.000 0.970 766 L HN 0.500 nan 8.230 nan 0.000 0.457 767 H N -0.116 118.875 119.070 -0.133 0.000 2.623 767 H HA 0.395 4.951 4.556 -0.000 0.000 0.299 767 H C -0.674 174.606 175.328 -0.080 0.000 1.052 767 H CA -0.980 55.014 56.048 -0.090 0.000 1.231 767 H CB 0.522 30.231 29.762 -0.088 0.000 1.389 767 H HN 0.038 nan 8.280 nan 0.000 0.469 777 P HA 0.130 nan 4.420 nan 0.000 0.264 777 P C -0.517 176.744 177.300 -0.065 0.000 1.229 777 P CA 0.410 63.467 63.100 -0.072 0.000 0.780 777 P CB 0.140 31.808 31.700 -0.053 0.000 0.808 778 I N 3.704 124.204 120.570 -0.116 0.000 2.496 778 I HA 0.048 4.218 4.170 -0.000 0.000 0.285 778 I C 1.618 177.754 176.117 0.032 0.000 1.080 778 I CA 0.299 61.577 61.300 -0.037 0.000 1.404 778 I CB 0.211 38.212 38.000 0.002 0.000 1.403 778 I HN 0.286 nan 8.210 nan 0.000 0.539 779 T N 3.407 118.030 114.554 0.115 0.000 2.988 779 T HA 0.057 4.407 4.350 -0.000 0.000 0.240 779 T C 0.228 175.055 174.700 0.212 0.000 1.014 779 T CA 0.479 62.673 62.100 0.158 0.000 1.155 779 T CB 0.170 69.090 68.868 0.086 0.000 0.872 779 T HN 0.488 nan 8.240 nan 0.000 0.440 780 D N 1.406 121.894 120.400 0.146 0.000 2.427 780 D HA 0.561 5.200 4.640 -0.000 0.000 0.226 780 D C 0.688 177.049 176.300 0.102 0.000 1.076 780 D CA -0.265 53.791 54.000 0.093 0.000 0.849 780 D CB 1.472 42.312 40.800 0.065 0.000 1.052 780 D HN 0.186 nan 8.370 nan 0.000 0.515 781 A N 3.097 125.951 122.820 0.057 0.000 2.024 781 A HA -0.059 4.261 4.320 -0.000 0.000 0.220 781 A C 0.770 178.365 177.584 0.018 0.000 1.164 781 A CA 0.933 52.998 52.037 0.047 0.000 0.643 781 A CB 0.148 19.071 19.000 -0.128 0.000 0.806 781 A HN 0.494 nan 8.150 nan 0.000 0.451 782 L N -1.279 119.949 121.223 0.008 0.000 2.543 782 L HA 0.494 4.834 4.340 -0.000 0.000 0.265 782 L C -1.240 175.666 176.870 0.061 0.000 0.945 782 L CA -0.321 54.540 54.840 0.035 0.000 0.869 782 L CB 2.040 44.117 42.059 0.029 0.000 1.294 782 L HN 0.358 nan 8.230 nan 0.000 0.405 783 R N 4.818 125.368 120.500 0.083 0.000 2.514 783 R HA 0.687 5.027 4.340 -0.000 0.000 0.296 783 R C -1.630 174.752 176.300 0.136 0.000 1.012 783 R CA -0.457 55.703 56.100 0.101 0.000 0.897 783 R CB 1.735 32.086 30.300 0.083 0.000 1.184 783 R HN 0.609 nan 8.270 nan 0.000 0.440 784 I N 2.766 123.439 120.570 0.172 0.000 2.433 784 I HA 0.374 4.544 4.170 -0.000 0.000 0.292 784 I C -0.390 175.825 176.117 0.162 0.000 1.001 784 I CA -0.543 60.861 61.300 0.173 0.000 1.119 784 I CB 2.514 40.619 38.000 0.175 0.000 1.289 784 I HN 0.496 nan 8.210 nan 0.000 0.438 785 T N 3.729 118.280 114.554 -0.005 0.000 2.876 785 T HA 0.687 5.037 4.350 -0.000 0.000 0.289 785 T C -0.806 173.727 174.700 -0.279 0.000 1.014 785 T CA -0.660 61.439 62.100 -0.002 0.000 0.986 785 T CB 1.838 70.724 68.868 0.030 0.000 1.021 785 T HN 0.573 nan 8.240 nan 0.000 0.458 786 S N 0.731 116.277 115.700 -0.257 0.000 2.622 786 S HA 0.254 4.724 4.470 -0.000 0.000 0.275 786 S C -0.056 174.476 174.600 -0.112 0.000 1.112 786 S CA -0.507 57.430 58.200 -0.438 0.000 0.837 786 S CB 1.847 64.372 63.200 -1.124 0.000 1.082 786 S HN 0.712 nan 8.310 nan 0.000 0.456 787 Q N 1.664 121.399 119.800 -0.108 0.000 2.259 787 Q HA 0.366 4.706 4.340 -0.000 0.000 0.201 787 Q C 0.173 176.197 176.000 0.040 0.000 0.938 787 Q CA 0.680 56.483 55.803 0.000 0.000 0.872 787 Q CB 0.348 29.065 28.738 -0.034 0.000 0.971 787 Q HN 0.567 nan 8.270 nan 0.000 0.494 788 N N -0.260 118.412 118.700 -0.047 0.000 2.578 788 N HA 0.357 5.096 4.740 -0.000 0.000 0.282 788 N C -2.230 173.217 175.510 -0.105 0.000 1.119 788 N CA -0.260 52.785 53.050 -0.008 0.000 0.948 788 N CB 1.097 39.568 38.487 -0.026 0.000 1.546 788 N HN 0.087 nan 8.380 nan 0.000 0.525 789 L N 1.897 123.113 121.223 -0.013 0.000 2.700 789 L HA 0.476 4.816 4.340 -0.000 0.000 0.255 789 L C -1.914 175.029 176.870 0.121 0.000 0.933 789 L CA -0.186 54.578 54.840 -0.127 0.000 0.920 789 L CB 1.893 43.598 42.059 -0.589 0.000 1.472 789 L HN 0.424 nan 8.230 nan 0.000 0.426 790 S N 3.579 119.299 115.700 0.034 0.000 2.733 790 S HA 0.891 5.361 4.470 -0.000 0.000 0.294 790 S C -1.126 173.507 174.600 0.054 0.000 1.149 790 S CA -0.458 57.806 58.200 0.107 0.000 1.034 790 S CB 0.541 63.760 63.200 0.031 0.000 1.015 790 S HN 0.811 nan 8.310 nan 0.000 0.486 791 L N 2.519 123.840 121.223 0.164 0.000 2.194 791 L HA 1.151 5.491 4.340 -0.000 0.000 0.248 791 L C -0.488 176.452 176.870 0.118 0.000 1.071 791 L CA -1.151 53.748 54.840 0.100 0.000 0.901 791 L CB 0.898 43.041 42.059 0.140 0.000 1.497 791 L HN 0.568 nan 8.230 nan 0.000 0.442 792 A N 0.150 122.980 122.820 0.017 0.000 2.454 792 A HA 0.939 5.259 4.320 -0.000 0.000 0.302 792 A C -1.089 176.646 177.584 0.251 0.000 1.079 792 A CA -0.464 51.613 52.037 0.067 0.000 0.731 792 A CB 1.305 20.224 19.000 -0.136 0.000 1.299 792 A HN 0.697 nan 8.150 nan 0.000 0.413 793 I N 0.374 121.213 120.570 0.448 0.000 2.686 793 I HA 0.707 4.877 4.170 -0.000 0.000 0.295 793 I C 0.032 176.417 176.117 0.446 0.000 1.114 793 I CA -0.335 61.254 61.300 0.481 0.000 1.038 793 I CB 2.302 40.545 38.000 0.405 0.000 1.238 793 I HN 0.974 nan 8.210 nan 0.000 0.420 794 A N 3.135 126.210 122.820 0.424 0.000 2.599 794 A HA 0.624 4.944 4.320 -0.000 0.000 0.290 794 A C -1.420 176.341 177.584 0.294 0.000 1.101 794 A CA -0.544 51.704 52.037 0.352 0.000 0.674 794 A CB 1.125 20.169 19.000 0.074 0.000 1.277 794 A HN 0.730 nan 8.150 nan 0.000 0.419 795 D N -0.389 120.181 120.400 0.283 0.000 2.803 795 D HA -0.116 4.523 4.640 -0.000 0.000 0.233 795 D C -0.317 176.065 176.300 0.136 0.000 1.182 795 D CA 1.276 55.359 54.000 0.137 0.000 0.726 795 D CB -1.446 39.379 40.800 0.040 0.000 0.987 795 D HN 0.666 nan 8.370 nan 0.000 0.412 796 V N -0.013 120.013 119.914 0.187 0.000 2.364 796 V HA 0.756 4.876 4.120 -0.000 0.000 0.272 796 V C 0.762 176.854 176.094 -0.005 0.000 1.036 796 V CA 0.014 62.379 62.300 0.108 0.000 0.880 796 V CB 1.401 33.309 31.823 0.140 0.000 0.991 796 V HN 0.532 nan 8.190 nan 0.000 0.460 797 A N 5.132 127.928 122.820 -0.039 0.000 2.606 797 A HA 0.872 5.192 4.320 -0.000 0.000 0.293 797 A C -1.259 176.244 177.584 -0.136 0.000 1.082 797 A CA -0.740 51.230 52.037 -0.112 0.000 0.685 797 A CB 1.346 20.299 19.000 -0.078 0.000 1.284 797 A HN 0.682 nan 8.150 nan 0.000 0.408 798 L N 1.420 122.473 121.223 -0.283 0.000 2.292 798 L HA 0.577 4.917 4.340 -0.000 0.000 0.284 798 L C 0.151 176.879 176.870 -0.236 0.000 1.065 798 L CA -0.153 54.418 54.840 -0.448 0.000 0.806 798 L CB 1.553 42.908 42.059 -1.173 0.000 1.175 798 L HN 0.754 nan 8.230 nan 0.000 0.431 799 T N 1.612 116.215 114.554 0.083 0.000 2.932 799 T HA 0.444 4.794 4.350 -0.000 0.000 0.289 799 T C 1.342 176.349 174.700 0.511 0.000 1.039 799 T CA -0.649 61.625 62.100 0.290 0.000 1.024 799 T CB 2.021 70.979 68.868 0.149 0.000 1.090 799 T HN 0.536 nan 8.240 nan 0.000 0.496 800 I N -1.580 119.245 120.570 0.425 0.000 2.333 800 I HA 0.289 4.459 4.170 -0.000 0.000 0.246 800 I C 0.468 176.784 176.117 0.330 0.000 1.106 800 I CA 0.699 62.193 61.300 0.322 0.000 1.411 800 I CB -0.127 37.952 38.000 0.133 0.000 1.082 800 I HN 0.212 nan 8.210 nan 0.000 0.420 801 K N 1.638 122.147 120.400 0.182 0.000 2.316 801 K HA 0.519 4.839 4.320 -0.000 0.000 0.251 801 K C -2.627 173.852 176.600 -0.201 0.000 0.934 801 K CA -2.196 54.109 56.287 0.030 0.000 0.802 801 K CB 1.649 34.161 32.500 0.020 0.000 1.171 801 K HN -0.067 nan 8.250 nan 0.000 0.426 802 P HA 0.141 nan 4.420 nan 0.000 0.275 802 P C -0.739 176.416 177.300 -0.242 0.000 1.228 802 P CA -0.418 62.345 63.100 -0.561 0.000 0.786 802 P CB 1.052 32.249 31.700 -0.838 0.000 0.927 803 S N 1.348 116.954 115.700 -0.156 0.000 2.589 803 S HA 0.010 4.480 4.470 -0.000 0.000 0.265 803 S C 1.141 175.699 174.600 -0.070 0.000 1.342 803 S CA -0.354 57.797 58.200 -0.082 0.000 1.005 803 S CB -0.023 63.146 63.200 -0.050 0.000 0.909 803 S HN 0.466 nan 8.310 nan 0.000 0.555 804 D N 1.530 121.904 120.400 -0.043 0.000 2.177 804 D HA -0.145 4.495 4.640 -0.000 0.000 0.189 804 D C 1.004 177.290 176.300 -0.025 0.000 1.002 804 D CA 1.560 55.541 54.000 -0.031 0.000 0.845 804 D CB -0.302 40.487 40.800 -0.019 0.000 0.960 804 D HN 0.501 nan 8.370 nan 0.000 0.447 805 D N -0.056 120.335 120.400 -0.016 0.000 2.349 805 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 805 D C 0.081 176.387 176.300 0.010 0.000 1.029 805 D CA 0.095 54.096 54.000 0.002 0.000 0.879 805 D CB 0.013 40.817 40.800 0.008 0.000 0.906 805 D HN -0.072 nan 8.370 nan 0.000 0.528 806 S N -0.035 115.656 115.700 -0.015 0.000 2.563 806 S HA 0.137 4.607 4.470 -0.000 0.000 0.284 806 S C 0.430 175.021 174.600 -0.014 0.000 1.331 806 S CA 0.029 58.217 58.200 -0.021 0.000 1.047 806 S CB 0.536 63.688 63.200 -0.079 0.000 0.859 806 S HN 0.084 nan 8.310 nan 0.000 0.514 807 I N 1.982 122.549 120.570 -0.006 0.000 2.406 807 I HA 0.239 4.409 4.170 -0.000 0.000 0.290 807 I C 0.111 176.207 176.117 -0.035 0.000 0.999 807 I CA -0.206 61.087 61.300 -0.012 0.000 1.124 807 I CB 1.954 39.954 38.000 0.001 0.000 1.289 807 I HN 0.403 nan 8.210 nan 0.000 0.441 808 S N 6.660 122.347 115.700 -0.021 0.000 2.465 808 S HA 0.445 4.915 4.470 -0.000 0.000 0.279 808 S C -0.030 174.549 174.600 -0.035 0.000 1.201 808 S CA -0.595 57.608 58.200 0.004 0.000 1.053 808 S CB 0.192 63.426 63.200 0.057 0.000 0.953 808 S HN 0.425 nan 8.310 nan 0.000 0.488 809 L N 6.507 127.681 121.223 -0.082 0.000 2.387 809 L HA 0.199 4.539 4.340 -0.000 0.000 0.267 809 L C 0.904 177.735 176.870 -0.065 0.000 1.197 809 L CA -0.605 54.151 54.840 -0.141 0.000 1.070 809 L CB -0.666 41.212 42.059 -0.302 0.000 1.349 809 L HN 0.648 nan 8.230 nan 0.000 0.422 810 T N -1.444 113.093 114.554 -0.028 0.000 2.748 810 T HA 0.167 4.516 4.350 -0.000 0.000 0.304 810 T C 0.398 175.082 174.700 -0.026 0.000 1.041 810 T CA -0.760 61.336 62.100 -0.007 0.000 1.033 810 T CB 0.900 69.773 68.868 0.009 0.000 0.995 810 T HN 0.388 nan 8.240 nan 0.000 0.536 811 c N 1.299 119.881 118.600 -0.029 0.000 2.466 811 c HA 0.618 5.188 4.570 -0.000 0.000 0.379 811 c C 1.759 175.828 174.090 -0.035 0.000 1.251 811 c CA -0.700 55.603 56.329 -0.044 0.000 2.263 811 c CB 0.013 42.481 42.510 -0.070 0.000 2.511 811 c HN 1.040 nan 8.230 nan 0.000 0.573 812 A N 2.306 125.105 122.820 -0.035 0.000 2.233 812 A HA 0.130 4.450 4.320 -0.000 0.000 0.230 812 A C 0.558 178.120 177.584 -0.038 0.000 1.347 812 A CA 0.786 52.806 52.037 -0.029 0.000 1.087 812 A CB -0.484 18.502 19.000 -0.023 0.000 0.871 812 A HN 0.862 nan 8.150 nan 0.000 0.519 813 K N -0.467 119.903 120.400 -0.050 0.000 2.395 813 K HA 0.674 4.994 4.320 -0.000 0.000 0.247 813 K C -1.109 175.463 176.600 -0.045 0.000 0.973 813 K CA -0.787 55.464 56.287 -0.060 0.000 0.828 813 K CB 1.298 33.738 32.500 -0.101 0.000 1.272 813 K HN 0.217 nan 8.250 nan 0.000 0.439 814 L N 0.000 121.202 121.223 -0.035 0.000 2.949 814 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 814 L CA 0.000 54.833 54.840 -0.012 0.000 0.813 814 L CB 0.000 42.055 42.059 -0.006 0.000 0.961 814 L HN 0.000 nan 8.230 nan 0.000 0.502