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 2pri_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKFGCRDPV RTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAPDEKIP 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 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.105 176.117 -0.020 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.035 0.000 1.566 13 I CB 0.000 37.970 38.000 -0.050 0.000 1.214 14 S N -0.413 115.280 115.700 -0.011 0.000 2.606 14 S HA 0.155 4.617 4.470 -0.013 0.000 0.274 14 S C -1.654 172.948 174.600 0.003 0.000 0.936 14 S CA 0.094 58.294 58.200 0.001 0.000 1.072 14 S CB 0.839 64.039 63.200 0.001 0.000 1.351 14 S HN 0.179 nan 8.310 nan 0.000 0.458 15 V N 4.169 124.091 119.914 0.013 0.000 2.847 15 V HA 0.420 4.532 4.120 -0.013 0.000 0.364 15 V C 0.790 176.889 176.094 0.010 0.000 1.374 15 V CA -0.089 62.218 62.300 0.013 0.000 1.542 15 V CB -0.830 31.009 31.823 0.026 0.000 1.471 15 V HN 0.591 nan 8.190 nan 0.000 0.557 16 R N 2.258 122.757 120.500 -0.001 0.000 2.555 16 R HA 0.421 4.754 4.340 -0.013 0.000 0.272 16 R C 0.904 177.193 176.300 -0.018 0.000 1.089 16 R CA 0.549 56.646 56.100 -0.006 0.000 1.126 16 R CB 0.090 30.383 30.300 -0.012 0.000 1.250 16 R HN 0.719 nan 8.270 nan 0.000 0.551 17 G N 0.728 109.517 108.800 -0.018 0.000 2.685 17 G HA2 -0.210 3.742 3.960 -0.013 0.000 0.387 17 G HA3 -0.210 3.742 3.960 -0.013 0.000 0.387 17 G C -1.054 173.829 174.900 -0.028 0.000 1.324 17 G CA -1.063 44.019 45.100 -0.030 0.000 0.878 17 G HN 0.038 nan 8.290 nan 0.000 0.527 18 L N 0.558 121.763 121.223 -0.031 0.000 2.334 18 L HA 0.699 5.031 4.340 -0.013 0.000 0.277 18 L C 1.320 178.174 176.870 -0.027 0.000 1.075 18 L CA 0.196 55.021 54.840 -0.025 0.000 0.804 18 L CB 1.158 43.203 42.059 -0.022 0.000 1.174 18 L HN 1.531 nan 8.230 nan 0.000 0.438 19 A N 2.721 125.527 122.820 -0.023 0.000 3.245 19 A HA 0.552 4.864 4.320 -0.013 0.000 0.282 19 A C 0.845 178.422 177.584 -0.012 0.000 1.417 19 A CA -0.265 51.759 52.037 -0.021 0.000 1.149 19 A CB -0.778 18.206 19.000 -0.026 0.000 1.155 19 A HN 0.793 nan 8.150 nan 0.000 0.602 20 G N -0.317 108.477 108.800 -0.010 0.000 2.562 20 G HA2 0.269 4.221 3.960 -0.013 0.000 0.233 20 G HA3 0.269 4.221 3.960 -0.013 0.000 0.233 20 G C 1.023 175.926 174.900 0.005 0.000 1.266 20 G CA 0.125 45.224 45.100 -0.002 0.000 0.852 20 G HN 0.421 nan 8.290 nan 0.000 0.581 21 V N 1.776 121.694 119.914 0.007 0.000 2.244 21 V HA -0.142 3.970 4.120 -0.013 0.000 0.244 21 V C 2.691 178.795 176.094 0.017 0.000 1.042 21 V CA 2.351 64.658 62.300 0.011 0.000 1.006 21 V CB -0.785 31.044 31.823 0.010 0.000 0.641 21 V HN 0.760 nan 8.190 nan 0.000 0.446 22 E N 0.401 120.612 120.200 0.018 0.000 2.110 22 E HA -0.198 4.144 4.350 -0.013 0.000 0.193 22 E C 2.039 178.661 176.600 0.037 0.000 0.988 22 E CA 1.609 58.024 56.400 0.025 0.000 0.804 22 E CB -0.306 29.409 29.700 0.023 0.000 0.745 22 E HN 0.634 nan 8.360 nan 0.000 0.458 23 N N -1.289 117.431 118.700 0.035 0.000 2.354 23 N HA -0.064 4.668 4.740 -0.013 0.000 0.179 23 N C 1.348 176.886 175.510 0.048 0.000 1.021 23 N CA 0.422 53.501 53.050 0.048 0.000 0.887 23 N CB 0.337 38.843 38.487 0.032 0.000 0.974 23 N HN -0.045 nan 8.380 nan 0.000 0.437 24 V N -0.075 119.858 119.914 0.031 0.000 2.548 24 V HA -0.153 3.959 4.120 -0.013 0.000 0.249 24 V C 1.871 177.989 176.094 0.041 0.000 1.055 24 V CA 1.582 63.901 62.300 0.030 0.000 1.065 24 V CB -0.548 31.287 31.823 0.020 0.000 0.681 24 V HN 0.390 nan 8.190 nan 0.000 0.462 25 T N -0.436 114.143 114.554 0.041 0.000 2.812 25 T HA -0.180 4.162 4.350 -0.013 0.000 0.264 25 T C 1.897 176.633 174.700 0.061 0.000 1.042 25 T CA 1.619 63.745 62.100 0.043 0.000 1.140 25 T CB -0.126 68.763 68.868 0.034 0.000 0.870 25 T HN 0.489 nan 8.240 nan 0.000 0.445 26 E N 0.871 121.114 120.200 0.071 0.000 2.077 26 E HA -0.102 4.240 4.350 -0.013 0.000 0.193 26 E C 1.924 178.603 176.600 0.131 0.000 0.989 26 E CA 0.820 57.275 56.400 0.092 0.000 0.800 26 E CB -0.497 29.263 29.700 0.101 0.000 0.746 26 E HN 0.154 nan 8.360 nan 0.000 0.452 27 L N 0.918 122.227 121.223 0.144 0.000 2.012 27 L HA -0.140 4.192 4.340 -0.013 0.000 0.210 27 L C 2.167 179.151 176.870 0.191 0.000 1.073 27 L CA 1.876 56.828 54.840 0.186 0.000 0.748 27 L CB -0.851 41.287 42.059 0.132 0.000 0.891 27 L HN 0.100 nan 8.230 nan 0.000 0.431 28 K N -0.162 120.312 120.400 0.123 0.000 2.063 28 K HA -0.221 4.091 4.320 -0.013 0.000 0.208 28 K C 1.944 178.652 176.600 0.179 0.000 1.048 28 K CA 1.900 58.255 56.287 0.114 0.000 0.928 28 K CB -0.111 32.413 32.500 0.040 0.000 0.713 28 K HN 0.436 nan 8.250 nan 0.000 0.442 29 K N 0.111 120.594 120.400 0.138 0.000 2.155 29 K HA -0.014 4.298 4.320 -0.013 0.000 0.203 29 K C 1.593 178.283 176.600 0.150 0.000 1.052 29 K CA 1.164 57.526 56.287 0.126 0.000 0.948 29 K CB -0.083 32.464 32.500 0.079 0.000 0.728 29 K HN 0.047 nan 8.250 nan 0.000 0.448 30 N N 0.604 119.407 118.700 0.172 0.000 2.270 30 N HA -0.092 4.640 4.740 -0.013 0.000 0.181 30 N C 1.550 177.227 175.510 0.278 0.000 1.016 30 N CA 0.852 54.002 53.050 0.166 0.000 0.870 30 N CB -0.156 38.443 38.487 0.186 0.000 0.979 30 N HN 0.182 nan 8.380 nan 0.000 0.431 31 F N 2.605 122.664 119.950 0.182 0.000 2.134 31 F HA -0.053 4.466 4.527 -0.013 0.000 0.299 31 F C 1.954 177.869 175.800 0.193 0.000 1.097 31 F CA 1.216 59.339 58.000 0.205 0.000 1.264 31 F CB -0.128 38.957 39.000 0.142 0.000 1.001 31 F HN -0.040 nan 8.300 nan 0.000 0.479 32 N N 0.308 119.226 118.700 0.364 0.000 2.216 32 N HA -0.125 4.607 4.740 -0.013 0.000 0.183 32 N C 2.091 177.687 175.510 0.143 0.000 1.017 32 N CA 0.629 53.821 53.050 0.237 0.000 0.861 32 N CB -0.454 38.157 38.487 0.207 0.000 0.986 32 N HN 0.316 nan 8.380 nan 0.000 0.428 33 R N 0.741 121.323 120.500 0.137 0.000 2.082 33 R HA -0.132 4.200 4.340 -0.013 0.000 0.234 33 R C 1.847 178.240 176.300 0.155 0.000 1.136 33 R CA 1.622 57.830 56.100 0.179 0.000 0.935 33 R CB -0.516 29.778 30.300 -0.010 0.000 0.842 33 R HN 0.430 nan 8.270 nan 0.000 0.430 34 H N -0.131 118.990 119.070 0.085 0.000 2.352 34 H HA -0.166 4.383 4.556 -0.013 0.000 0.299 34 H C 1.890 177.163 175.328 -0.092 0.000 1.097 34 H CA 1.603 57.631 56.048 -0.034 0.000 1.311 34 H CB -0.103 29.591 29.762 -0.114 0.000 1.377 34 H HN 0.098 nan 8.280 nan 0.000 0.504 35 L N 0.013 121.229 121.223 -0.012 0.000 2.127 35 L HA -0.209 4.123 4.340 -0.013 0.000 0.211 35 L C 2.102 178.966 176.870 -0.009 0.000 1.089 35 L CA 1.875 56.681 54.840 -0.056 0.000 0.757 35 L CB -0.450 41.586 42.059 -0.038 0.000 0.899 35 L HN 0.312 nan 8.230 nan 0.000 0.434 36 H N -1.951 117.049 119.070 -0.117 0.000 2.284 36 H HA 0.002 4.550 4.556 -0.013 0.000 0.314 36 H C 1.822 176.950 175.328 -0.333 0.000 1.058 36 H CA 1.985 57.869 56.048 -0.274 0.000 1.394 36 H CB -0.317 29.190 29.762 -0.425 0.000 1.431 36 H HN 0.243 nan 8.280 nan 0.000 0.537 37 F N -0.202 119.750 119.950 0.002 0.000 2.259 37 F HA -0.058 4.461 4.527 -0.013 0.000 0.298 37 F C 2.474 178.205 175.800 -0.114 0.000 1.088 37 F CA 1.498 59.447 58.000 -0.085 0.000 1.358 37 F CB -0.327 38.645 39.000 -0.048 0.000 1.040 37 F HN 0.207 nan 8.300 nan 0.000 0.505 38 T N -0.740 113.845 114.554 0.053 0.000 2.983 38 T HA 0.053 4.395 4.350 -0.013 0.000 0.250 38 T C 1.695 176.308 174.700 -0.145 0.000 1.037 38 T CA 0.516 62.577 62.100 -0.065 0.000 1.142 38 T CB -0.136 68.657 68.868 -0.126 0.000 0.876 38 T HN -0.054 nan 8.240 nan 0.000 0.455 39 L N 1.151 122.290 121.223 -0.139 0.000 2.375 39 L HA 0.278 4.610 4.340 -0.013 0.000 0.215 39 L C 0.644 177.424 176.870 -0.151 0.000 1.108 39 L CA 0.404 55.150 54.840 -0.156 0.000 0.830 39 L CB -0.654 41.325 42.059 -0.134 0.000 0.959 39 L HN 0.056 nan 8.230 nan 0.000 0.457 40 V N 0.277 120.088 119.914 -0.172 0.000 6.016 40 V HA -0.295 3.817 4.120 -0.013 0.000 0.265 40 V C 0.466 176.454 176.094 -0.176 0.000 0.621 40 V CA 0.801 62.969 62.300 -0.220 0.000 0.592 40 V CB -2.066 29.649 31.823 -0.180 0.000 0.298 40 V HN 0.405 nan 8.190 nan 0.000 0.615 41 K N 1.008 121.318 120.400 -0.150 0.000 2.439 41 K HA 0.688 5.000 4.320 -0.013 0.000 0.260 41 K C -0.686 175.892 176.600 -0.036 0.000 1.032 41 K CA -0.631 55.600 56.287 -0.092 0.000 0.882 41 K CB 2.886 35.332 32.500 -0.090 0.000 1.420 41 K HN 0.554 nan 8.250 nan 0.000 0.455 42 D N 0.681 121.081 120.400 0.000 0.000 2.896 42 D HA 0.203 4.835 4.640 -0.013 0.000 0.241 42 D C 0.501 176.843 176.300 0.070 0.000 1.188 42 D CA -0.399 53.635 54.000 0.057 0.000 0.879 42 D CB 1.368 42.197 40.800 0.048 0.000 1.553 42 D HN 0.276 nan 8.370 nan 0.000 0.515 43 R N 2.381 122.957 120.500 0.127 0.000 2.312 43 R HA -0.220 4.112 4.340 -0.013 0.000 0.270 43 R C 1.118 177.501 176.300 0.139 0.000 1.165 43 R CA 1.397 57.609 56.100 0.187 0.000 1.006 43 R CB -0.939 29.462 30.300 0.168 0.000 0.893 43 R HN 0.629 nan 8.270 nan 0.000 0.479 44 N N 0.375 119.124 118.700 0.081 0.000 2.494 44 N HA -0.057 4.675 4.740 -0.013 0.000 0.182 44 N C 1.289 176.823 175.510 0.040 0.000 1.076 44 N CA 1.327 54.413 53.050 0.059 0.000 0.908 44 N CB 0.432 38.943 38.487 0.040 0.000 0.967 44 N HN 0.238 nan 8.380 nan 0.000 0.449 45 V N -3.017 116.909 119.914 0.020 0.000 3.398 45 V HA 0.449 4.561 4.120 -0.013 0.000 0.298 45 V C 0.722 176.783 176.094 -0.055 0.000 1.496 45 V CA -0.608 61.687 62.300 -0.009 0.000 1.044 45 V CB -0.132 31.681 31.823 -0.017 0.000 0.880 45 V HN 0.013 nan 8.190 nan 0.000 0.443 46 A N 2.138 124.902 122.820 -0.094 0.000 2.477 46 A HA 0.599 4.912 4.320 -0.013 0.000 0.246 46 A C 0.708 178.074 177.584 -0.363 0.000 1.078 46 A CA 0.853 52.700 52.037 -0.318 0.000 0.770 46 A CB -0.011 18.668 19.000 -0.535 0.000 1.011 46 A HN 0.757 nan 8.150 nan 0.000 0.494 47 T N -0.064 114.284 114.554 -0.344 0.000 2.949 47 T HA 0.601 4.944 4.350 -0.013 0.000 0.287 47 T C -2.178 172.439 174.700 -0.139 0.000 1.034 47 T CA -1.837 60.173 62.100 -0.149 0.000 1.018 47 T CB 1.354 70.200 68.868 -0.037 0.000 1.135 47 T HN 0.235 nan 8.240 nan 0.000 0.532 48 P HA -0.113 nan 4.420 nan 0.000 0.217 48 P C 1.529 178.953 177.300 0.207 0.000 1.148 48 P CA 0.979 64.224 63.100 0.243 0.000 0.828 48 P CB 0.042 31.849 31.700 0.178 0.000 0.783 49 R N 0.038 120.614 120.500 0.126 0.000 2.092 49 R HA -0.121 4.211 4.340 -0.013 0.000 0.231 49 R C 1.651 178.155 176.300 0.341 0.000 1.119 49 R CA 1.725 57.950 56.100 0.209 0.000 0.970 49 R CB -0.657 29.724 30.300 0.135 0.000 0.864 49 R HN 0.092 nan 8.270 nan 0.000 0.440 50 D N -0.346 120.123 120.400 0.115 0.000 2.144 50 D HA -0.171 4.461 4.640 -0.013 0.000 0.200 50 D C 1.672 178.024 176.300 0.087 0.000 0.978 50 D CA 1.186 55.213 54.000 0.045 0.000 0.833 50 D CB -0.261 40.416 40.800 -0.205 0.000 0.961 50 D HN 0.290 nan 8.370 nan 0.000 0.470 51 Y N 0.255 120.680 120.300 0.210 0.000 2.224 51 Y HA -0.211 4.332 4.550 -0.013 0.000 0.289 51 Y C 2.334 178.386 175.900 0.253 0.000 1.146 51 Y CA 0.266 58.535 58.100 0.281 0.000 1.182 51 Y CB -1.140 37.533 38.460 0.354 0.000 0.983 51 Y HN 0.101 nan 8.280 nan 0.000 0.524 52 Y N -0.721 119.740 120.300 0.269 0.000 2.224 52 Y HA -0.232 4.310 4.550 -0.013 0.000 0.289 52 Y C 1.815 177.694 175.900 -0.035 0.000 1.146 52 Y CA 1.129 59.281 58.100 0.087 0.000 1.182 52 Y CB -0.990 37.424 38.460 -0.076 0.000 0.983 52 Y HN 0.018 nan 8.280 nan 0.000 0.524 53 F N 0.123 119.854 119.950 -0.366 0.000 2.259 53 F HA -0.003 4.516 4.527 -0.013 0.000 0.298 53 F C 2.600 178.243 175.800 -0.262 0.000 1.088 53 F CA 1.172 58.909 58.000 -0.439 0.000 1.358 53 F CB -0.897 38.025 39.000 -0.130 0.000 1.040 53 F HN 0.176 nan 8.300 nan 0.000 0.505 54 A N -0.139 122.625 122.820 -0.094 0.000 1.902 54 A HA -0.163 4.149 4.320 -0.013 0.000 0.217 54 A C 2.092 179.543 177.584 -0.222 0.000 1.181 54 A CA 1.560 53.411 52.037 -0.311 0.000 0.623 54 A CB -1.042 17.422 19.000 -0.892 0.000 0.818 54 A HN 0.331 nan 8.150 nan 0.000 0.443 55 L N -0.178 121.030 121.223 -0.025 0.000 2.027 55 L HA -0.021 4.311 4.340 -0.013 0.000 0.206 55 L C 2.669 179.525 176.870 -0.023 0.000 1.074 55 L CA 2.232 57.193 54.840 0.201 0.000 0.745 55 L CB -0.938 41.312 42.059 0.319 0.000 0.898 55 L HN 0.337 nan 8.230 nan 0.000 0.433 56 A N -1.245 121.388 122.820 -0.312 0.000 1.908 56 A HA -0.296 4.016 4.320 -0.013 0.000 0.218 56 A C 2.146 179.388 177.584 -0.571 0.000 1.181 56 A CA 2.115 53.848 52.037 -0.506 0.000 0.627 56 A CB -1.123 17.234 19.000 -1.071 0.000 0.818 56 A HN 0.699 nan 8.150 nan 0.000 0.445 57 H N -0.993 117.762 119.070 -0.525 0.000 2.428 57 H HA -0.026 4.522 4.556 -0.013 0.000 0.296 57 H C 2.272 177.320 175.328 -0.466 0.000 1.062 57 H CA 1.826 57.490 56.048 -0.640 0.000 1.350 57 H CB -0.024 29.100 29.762 -1.063 0.000 1.403 57 H HN 0.478 nan 8.280 nan 0.000 0.533 58 T N -0.527 113.960 114.554 -0.111 0.000 2.812 58 T HA -0.104 4.239 4.350 -0.013 0.000 0.264 58 T C 2.228 177.097 174.700 0.282 0.000 1.042 58 T CA 1.190 63.412 62.100 0.202 0.000 1.140 58 T CB -0.302 68.753 68.868 0.311 0.000 0.870 58 T HN 0.097 nan 8.240 nan 0.000 0.445 59 V N 1.665 121.710 119.914 0.219 0.000 2.453 59 V HA -0.088 4.024 4.120 -0.013 0.000 0.247 59 V C 2.626 178.907 176.094 0.311 0.000 1.048 59 V CA 1.434 63.907 62.300 0.289 0.000 1.049 59 V CB -0.604 31.386 31.823 0.278 0.000 0.672 59 V HN 0.369 nan 8.190 nan 0.000 0.457 60 R N 0.176 120.806 120.500 0.218 0.000 2.120 60 R HA -0.195 4.138 4.340 -0.013 0.000 0.234 60 R C 1.870 178.277 176.300 0.179 0.000 1.123 60 R CA 1.829 58.062 56.100 0.221 0.000 0.975 60 R CB -0.367 29.915 30.300 -0.032 0.000 0.866 60 R HN 0.450 nan 8.270 nan 0.000 0.446 61 D N 0.020 120.509 120.400 0.148 0.000 2.149 61 D HA -0.161 4.472 4.640 -0.013 0.000 0.198 61 D C 1.634 177.950 176.300 0.026 0.000 0.990 61 D CA 1.110 55.163 54.000 0.089 0.000 0.839 61 D CB -0.333 40.502 40.800 0.059 0.000 0.948 61 D HN 0.445 nan 8.370 nan 0.000 0.460 62 H N -0.307 118.828 119.070 0.108 0.000 2.546 62 H HA 0.019 4.567 4.556 -0.013 0.000 0.277 62 H C 1.897 177.265 175.328 0.067 0.000 1.004 62 H CA 0.618 56.714 56.048 0.079 0.000 1.231 62 H CB 0.415 30.216 29.762 0.064 0.000 1.382 62 H HN 0.270 nan 8.280 nan 0.000 0.580 63 L N -1.523 119.807 121.223 0.178 0.000 2.766 63 L HA 0.177 4.509 4.340 -0.013 0.000 0.242 63 L C 1.883 178.859 176.870 0.177 0.000 1.136 63 L CA -0.012 54.902 54.840 0.123 0.000 0.933 63 L CB -0.026 42.059 42.059 0.044 0.000 1.241 63 L HN -0.127 nan 8.230 nan 0.000 0.522 64 V N -2.078 117.962 119.914 0.210 0.000 2.453 64 V HA 0.082 4.194 4.120 -0.013 0.000 0.247 64 V C 2.517 178.731 176.094 0.200 0.000 1.048 64 V CA 1.571 64.043 62.300 0.288 0.000 1.049 64 V CB -1.705 30.250 31.823 0.220 0.000 0.672 64 V HN 0.356 nan 8.190 nan 0.000 0.457 65 G N 0.309 109.182 108.800 0.121 0.000 2.446 65 G HA2 -0.240 3.713 3.960 -0.013 0.000 0.217 65 G HA3 -0.240 3.713 3.960 -0.013 0.000 0.217 65 G C 1.814 176.762 174.900 0.081 0.000 1.168 65 G CA 1.027 46.172 45.100 0.076 0.000 0.771 65 G HN 0.501 nan 8.290 nan 0.000 0.551 66 R N -1.528 119.027 120.500 0.092 0.000 2.090 66 R HA -0.032 4.300 4.340 -0.013 0.000 0.228 66 R C 2.244 178.619 176.300 0.125 0.000 1.110 66 R CA 0.876 57.015 56.100 0.066 0.000 0.973 66 R CB -0.326 29.994 30.300 0.033 0.000 0.869 66 R HN 0.471 nan 8.270 nan 0.000 0.440 67 W N 1.613 122.888 121.300 -0.041 0.000 2.333 67 W HA -0.123 4.530 4.660 -0.013 0.000 0.316 67 W C 1.683 178.171 176.519 -0.052 0.000 1.215 67 W CA 1.068 58.383 57.345 -0.049 0.000 1.278 67 W CB -0.700 28.752 29.460 -0.014 0.000 1.154 67 W HN -0.031 nan 8.180 nan 0.000 0.486 68 I N 0.942 121.572 120.570 0.099 0.000 2.179 68 I HA -0.365 3.797 4.170 -0.013 0.000 0.242 68 I C 2.643 178.756 176.117 -0.008 0.000 1.088 68 I CA 2.037 63.317 61.300 -0.033 0.000 1.357 68 I CB -0.501 37.486 38.000 -0.022 0.000 1.051 68 I HN -0.013 nan 8.210 nan 0.000 0.409 69 R N -0.209 120.296 120.500 0.008 0.000 2.148 69 R HA -0.039 4.293 4.340 -0.013 0.000 0.223 69 R C 2.019 178.284 176.300 -0.059 0.000 1.088 69 R CA 1.516 57.613 56.100 -0.005 0.000 0.985 69 R CB -1.154 29.143 30.300 -0.006 0.000 0.880 69 R HN 0.237 nan 8.270 nan 0.000 0.451 70 T N 1.502 115.984 114.554 -0.121 0.000 2.737 70 T HA -0.100 4.243 4.350 -0.013 0.000 0.265 70 T C 1.840 176.216 174.700 -0.539 0.000 1.038 70 T CA 1.169 63.060 62.100 -0.348 0.000 1.144 70 T CB -0.090 68.605 68.868 -0.289 0.000 0.866 70 T HN 0.173 nan 8.240 nan 0.000 0.434 71 Q N 0.881 120.526 119.800 -0.258 0.000 2.084 71 Q HA -0.090 4.242 4.340 -0.013 0.000 0.202 71 Q C 2.392 178.420 176.000 0.047 0.000 0.978 71 Q CA 1.393 57.111 55.803 -0.141 0.000 0.844 71 Q CB -0.648 28.085 28.738 -0.008 0.000 0.898 71 Q HN 0.464 nan 8.270 nan 0.000 0.426 72 Q N 0.111 119.976 119.800 0.108 0.000 2.084 72 Q HA -0.193 4.139 4.340 -0.013 0.000 0.202 72 Q C 1.892 178.002 176.000 0.184 0.000 0.978 72 Q CA 2.081 58.009 55.803 0.209 0.000 0.844 72 Q CB -0.472 28.331 28.738 0.108 0.000 0.898 72 Q HN 0.589 nan 8.270 nan 0.000 0.426 73 H N -0.992 118.063 119.070 -0.026 0.000 2.290 73 H HA -0.190 4.358 4.556 -0.013 0.000 0.298 73 H C 1.245 176.637 175.328 0.106 0.000 1.087 73 H CA 2.392 58.434 56.048 -0.010 0.000 1.291 73 H CB -0.343 29.349 29.762 -0.117 0.000 1.369 73 H HN 0.352 nan 8.280 nan 0.000 0.492 74 Y N -0.860 119.479 120.300 0.066 0.000 2.256 74 Y HA -0.219 4.323 4.550 -0.013 0.000 0.288 74 Y C 2.208 178.043 175.900 -0.108 0.000 1.155 74 Y CA 0.847 58.909 58.100 -0.064 0.000 1.203 74 Y CB -1.106 37.284 38.460 -0.117 0.000 0.980 74 Y HN 0.369 nan 8.280 nan 0.000 0.530 75 Y N 0.297 120.704 120.300 0.179 0.000 2.263 75 Y HA -0.135 4.408 4.550 -0.013 0.000 0.292 75 Y C 2.275 178.204 175.900 0.048 0.000 1.130 75 Y CA 1.046 59.214 58.100 0.112 0.000 1.179 75 Y CB -0.219 38.294 38.460 0.088 0.000 0.998 75 Y HN 0.112 nan 8.280 nan 0.000 0.532 76 E N 0.081 120.367 120.200 0.144 0.000 2.016 76 E HA -0.129 4.213 4.350 -0.013 0.000 0.190 76 E C 1.965 178.555 176.600 -0.017 0.000 0.985 76 E CA 0.944 57.367 56.400 0.039 0.000 0.802 76 E CB -0.146 29.542 29.700 -0.020 0.000 0.762 76 E HN 0.288 nan 8.360 nan 0.000 0.448 77 K N 0.858 121.189 120.400 -0.114 0.000 2.217 77 K HA -0.088 4.224 4.320 -0.013 0.000 0.202 77 K C 0.182 176.776 176.600 -0.011 0.000 1.051 77 K CA 0.591 56.819 56.287 -0.099 0.000 0.952 77 K CB -0.481 31.893 32.500 -0.211 0.000 0.736 77 K HN 0.115 nan 8.250 nan 0.000 0.453 78 D N 0.537 120.953 120.400 0.027 0.000 2.812 78 D HA -0.103 4.529 4.640 -0.013 0.000 0.237 78 D C -2.384 173.938 176.300 0.037 0.000 1.162 78 D CA 0.100 54.135 54.000 0.058 0.000 0.740 78 D CB -0.189 40.666 40.800 0.092 0.000 1.000 78 D HN 0.163 nan 8.370 nan 0.000 0.416 79 P HA 0.188 nan 4.420 nan 0.000 0.284 79 P C -0.387 176.881 177.300 -0.052 0.000 1.292 79 P CA -0.755 62.327 63.100 -0.030 0.000 0.800 79 P CB 0.590 32.250 31.700 -0.066 0.000 1.188 80 K N 0.829 121.195 120.400 -0.056 0.000 2.416 80 K HA 0.085 4.397 4.320 -0.013 0.000 0.283 80 K C -0.176 176.327 176.600 -0.163 0.000 1.037 80 K CA -0.056 56.185 56.287 -0.077 0.000 0.995 80 K CB 0.166 32.636 32.500 -0.051 0.000 0.938 80 K HN 0.207 nan 8.250 nan 0.000 0.475 81 R N 3.919 124.308 120.500 -0.185 0.000 2.297 81 R HA 0.318 4.650 4.340 -0.013 0.000 0.308 81 R C -0.506 175.512 176.300 -0.471 0.000 1.029 81 R CA -0.434 55.476 56.100 -0.317 0.000 0.929 81 R CB 0.794 30.917 30.300 -0.295 0.000 1.046 81 R HN 0.529 nan 8.270 nan 0.000 0.461 82 I N 4.638 124.879 120.570 -0.549 0.000 2.312 82 I HA 0.209 4.371 4.170 -0.013 0.000 0.290 82 I C -0.616 175.193 176.117 -0.513 0.000 1.008 82 I CA -0.712 60.216 61.300 -0.621 0.000 1.226 82 I CB 0.677 38.184 38.000 -0.822 0.000 1.371 82 I HN 0.516 nan 8.210 nan 0.000 0.468 83 Y N 5.777 126.035 120.300 -0.070 0.000 2.369 83 Y HA 0.282 4.824 4.550 -0.013 0.000 0.337 83 Y C -0.238 175.762 175.900 0.166 0.000 0.961 83 Y CA -0.683 57.497 58.100 0.133 0.000 1.186 83 Y CB 1.104 39.592 38.460 0.047 0.000 1.139 83 Y HN 0.405 nan 8.280 nan 0.000 0.494 84 Y N 4.654 125.140 120.300 0.310 0.000 2.594 84 Y HA 0.449 4.991 4.550 -0.013 0.000 0.342 84 Y C -1.136 175.033 175.900 0.449 0.000 1.010 84 Y CA -0.927 57.370 58.100 0.328 0.000 1.270 84 Y CB 0.164 38.824 38.460 0.334 0.000 1.125 84 Y HN 0.522 nan 8.280 nan 0.000 0.513 85 L N 4.663 125.959 121.223 0.122 0.000 2.290 85 L HA 0.478 4.810 4.340 -0.013 0.000 0.284 85 L C -0.148 176.747 176.870 0.041 0.000 1.078 85 L CA 0.213 55.168 54.840 0.192 0.000 0.815 85 L CB 1.312 43.444 42.059 0.122 0.000 1.162 85 L HN 0.573 nan 8.230 nan 0.000 0.435 86 S N 2.585 118.390 115.700 0.176 0.000 2.543 86 S HA 0.424 4.886 4.470 -0.013 0.000 0.273 86 S C 0.111 174.793 174.600 0.137 0.000 1.152 86 S CA -0.559 57.645 58.200 0.008 0.000 0.910 86 S CB 0.851 63.850 63.200 -0.334 0.000 1.105 86 S HN 0.450 nan 8.310 nan 0.000 0.465 87 L N 2.998 124.347 121.223 0.209 0.000 2.599 87 L HA 0.445 4.777 4.340 -0.013 0.000 0.230 87 L C 0.468 177.522 176.870 0.307 0.000 1.141 87 L CA 1.086 56.107 54.840 0.302 0.000 0.877 87 L CB -0.148 42.093 42.059 0.303 0.000 1.009 87 L HN 0.661 nan 8.230 nan 0.000 0.447 88 E N -1.464 118.788 120.200 0.087 0.000 2.292 88 E HA 0.416 4.758 4.350 -0.013 0.000 0.272 88 E C -1.413 175.049 176.600 -0.229 0.000 0.881 88 E CA -0.473 55.959 56.400 0.053 0.000 0.754 88 E CB 1.883 31.596 29.700 0.022 0.000 1.201 88 E HN -0.188 nan 8.360 nan 0.000 0.425 89 F N 2.179 122.230 119.950 0.169 0.000 2.949 89 F HA 0.166 4.685 4.527 -0.013 0.000 0.376 89 F C -0.916 174.968 175.800 0.139 0.000 1.205 89 F CA -0.660 57.431 58.000 0.151 0.000 1.155 89 F CB 0.810 39.891 39.000 0.135 0.000 1.495 89 F HN 0.489 nan 8.300 nan 0.000 0.551 90 Y N 4.986 125.359 120.300 0.122 0.000 2.570 90 Y HA 0.162 4.704 4.550 -0.013 0.000 0.336 90 Y C 1.195 177.115 175.900 0.033 0.000 1.284 90 Y CA -0.779 57.345 58.100 0.040 0.000 1.761 90 Y CB 0.204 38.671 38.460 0.012 0.000 1.724 90 Y HN 0.504 nan 8.280 nan 0.000 0.455 91 M N 0.995 120.721 119.600 0.211 0.000 2.156 91 M HA 0.088 4.560 4.480 -0.013 0.000 0.264 91 M C 1.568 177.841 176.300 -0.045 0.000 1.067 91 M CA 1.206 56.538 55.300 0.053 0.000 1.131 91 M CB -1.285 31.322 32.600 0.012 0.000 1.368 91 M HN 0.632 nan 8.290 nan 0.000 0.416 92 G N 0.875 109.658 108.800 -0.028 0.000 2.593 92 G HA2 -0.253 3.699 3.960 -0.013 0.000 0.237 92 G HA3 -0.253 3.699 3.960 -0.013 0.000 0.237 92 G C -0.511 174.343 174.900 -0.076 0.000 1.312 92 G CA -0.369 44.679 45.100 -0.087 0.000 0.896 92 G HN 0.452 nan 8.290 nan 0.000 0.574 93 R N -0.548 119.893 120.500 -0.099 0.000 2.582 93 R HA 0.564 4.896 4.340 -0.013 0.000 0.271 93 R C 1.517 177.706 176.300 -0.186 0.000 1.078 93 R CA 0.391 56.444 56.100 -0.078 0.000 1.127 93 R CB 0.803 31.062 30.300 -0.068 0.000 1.038 93 R HN 0.904 nan 8.270 nan 0.000 0.500 94 T N -0.305 114.086 114.554 -0.272 0.000 3.043 94 T HA 0.052 4.394 4.350 -0.013 0.000 0.272 94 T C 1.136 175.447 174.700 -0.649 0.000 0.990 94 T CA -0.261 61.496 62.100 -0.571 0.000 0.897 94 T CB 0.190 68.495 68.868 -0.939 0.000 1.111 94 T HN 0.338 nan 8.240 nan 0.000 0.529 95 L N 1.767 122.849 121.223 -0.234 0.000 1.988 95 L HA 0.178 4.510 4.340 -0.013 0.000 0.207 95 L C 2.643 179.477 176.870 -0.061 0.000 1.071 95 L CA 2.225 57.072 54.840 0.012 0.000 0.744 95 L CB -0.885 41.386 42.059 0.353 0.000 0.893 95 L HN 0.391 nan 8.230 nan 0.000 0.433 96 Q N -0.616 119.150 119.800 -0.057 0.000 2.050 96 Q HA -0.270 4.062 4.340 -0.013 0.000 0.202 96 Q C 2.213 178.141 176.000 -0.120 0.000 0.980 96 Q CA 2.010 57.772 55.803 -0.069 0.000 0.840 96 Q CB -0.389 28.306 28.738 -0.072 0.000 0.898 96 Q HN 0.689 nan 8.270 nan 0.000 0.424 97 N N -1.041 117.548 118.700 -0.184 0.000 2.205 97 N HA -0.146 4.586 4.740 -0.013 0.000 0.186 97 N C 1.247 176.648 175.510 -0.182 0.000 1.015 97 N CA 1.754 54.684 53.050 -0.200 0.000 0.862 97 N CB 0.054 38.386 38.487 -0.258 0.000 0.986 97 N HN 0.247 nan 8.380 nan 0.000 0.429 98 T N 0.958 115.374 114.554 -0.229 0.000 2.857 98 T HA 0.023 4.365 4.350 -0.013 0.000 0.266 98 T C 2.043 176.677 174.700 -0.109 0.000 1.048 98 T CA 0.756 62.734 62.100 -0.202 0.000 1.139 98 T CB 0.026 68.726 68.868 -0.279 0.000 0.874 98 T HN 0.252 nan 8.240 nan 0.000 0.455 99 M N 0.548 120.101 119.600 -0.080 0.000 2.132 99 M HA -0.071 4.401 4.480 -0.013 0.000 0.263 99 M C 2.446 178.713 176.300 -0.056 0.000 1.065 99 M CA 1.214 56.482 55.300 -0.053 0.000 1.122 99 M CB -0.577 32.007 32.600 -0.027 0.000 1.365 99 M HN 0.092 nan 8.290 nan 0.000 0.411 100 V N 1.027 120.913 119.914 -0.047 0.000 2.255 100 V HA -0.279 3.833 4.120 -0.013 0.000 0.247 100 V C 1.799 177.908 176.094 0.026 0.000 1.051 100 V CA 1.972 64.270 62.300 -0.003 0.000 1.018 100 V CB -0.878 30.940 31.823 -0.007 0.000 0.641 100 V HN 0.470 nan 8.190 nan 0.000 0.445 101 N N -0.344 118.359 118.700 0.004 0.000 2.453 101 N HA -0.055 4.677 4.740 -0.013 0.000 0.183 101 N C 1.061 176.476 175.510 -0.159 0.000 1.041 101 N CA 0.725 53.760 53.050 -0.024 0.000 0.900 101 N CB -0.113 38.364 38.487 -0.017 0.000 0.961 101 N HN 0.275 nan 8.380 nan 0.000 0.443 102 L N -0.223 120.925 121.223 -0.124 0.000 2.693 102 L HA 0.411 4.743 4.340 -0.013 0.000 0.235 102 L C 0.440 177.229 176.870 -0.134 0.000 1.127 102 L CA -0.307 54.458 54.840 -0.126 0.000 0.914 102 L CB -0.869 41.138 42.059 -0.086 0.000 1.193 102 L HN 0.097 nan 8.230 nan 0.000 0.502 103 A N -0.410 122.330 122.820 -0.133 0.000 2.791 103 A HA -0.220 4.092 4.320 -0.013 0.000 0.292 103 A C 1.020 178.548 177.584 -0.094 0.000 1.487 103 A CA 0.978 52.949 52.037 -0.110 0.000 0.760 103 A CB -1.900 17.021 19.000 -0.131 0.000 1.031 103 A HN 0.235 nan 8.150 nan 0.000 0.503 104 L N -1.015 120.152 121.223 -0.092 0.000 2.766 104 L HA 0.270 4.602 4.340 -0.013 0.000 0.242 104 L C 1.795 178.626 176.870 -0.064 0.000 1.136 104 L CA 1.461 56.239 54.840 -0.104 0.000 0.933 104 L CB -0.144 41.827 42.059 -0.146 0.000 1.241 104 L HN 0.616 nan 8.230 nan 0.000 0.522 105 E N -0.255 119.918 120.200 -0.045 0.000 2.085 105 E HA -0.234 4.108 4.350 -0.013 0.000 0.194 105 E C 1.580 178.167 176.600 -0.023 0.000 0.994 105 E CA 1.412 57.796 56.400 -0.026 0.000 0.801 105 E CB 0.279 29.966 29.700 -0.021 0.000 0.743 105 E HN 0.390 nan 8.360 nan 0.000 0.453 106 N N -0.065 118.618 118.700 -0.029 0.000 2.171 106 N HA -0.081 4.651 4.740 -0.013 0.000 0.184 106 N C 1.556 177.049 175.510 -0.029 0.000 1.021 106 N CA 1.241 54.273 53.050 -0.030 0.000 0.854 106 N CB -0.411 38.057 38.487 -0.032 0.000 0.994 106 N HN 0.216 nan 8.380 nan 0.000 0.426 107 A N 0.333 123.134 122.820 -0.032 0.000 1.883 107 A HA -0.175 4.138 4.320 -0.013 0.000 0.217 107 A C 2.681 180.257 177.584 -0.014 0.000 1.186 107 A CA 1.473 53.494 52.037 -0.025 0.000 0.624 107 A CB -1.124 17.852 19.000 -0.039 0.000 0.822 107 A HN 0.448 nan 8.150 nan 0.000 0.444 108 C N -0.990 118.302 119.300 -0.014 0.000 2.440 108 C HA -0.069 4.383 4.460 -0.013 0.000 0.278 108 C C 2.503 177.498 174.990 0.009 0.000 1.295 108 C CA 1.157 60.180 59.018 0.008 0.000 1.738 108 C CB -1.072 26.681 27.740 0.022 0.000 1.987 108 C HN 0.683 nan 8.230 nan 0.000 0.492 109 D N 0.529 120.932 120.400 0.004 0.000 2.097 109 D HA -0.136 4.496 4.640 -0.013 0.000 0.195 109 D C 2.114 178.427 176.300 0.022 0.000 0.989 109 D CA 1.523 55.528 54.000 0.009 0.000 0.827 109 D CB -0.256 40.537 40.800 -0.011 0.000 0.966 109 D HN 0.480 nan 8.370 nan 0.000 0.456 110 E N 0.567 120.768 120.200 0.001 0.000 2.017 110 E HA -0.099 4.243 4.350 -0.013 0.000 0.193 110 E C 1.940 178.582 176.600 0.070 0.000 0.997 110 E CA 1.881 58.292 56.400 0.019 0.000 0.804 110 E CB -0.711 28.985 29.700 -0.007 0.000 0.757 110 E HN 0.177 nan 8.360 nan 0.000 0.448 111 A N -0.138 122.694 122.820 0.020 0.000 1.903 111 A HA -0.268 4.044 4.320 -0.013 0.000 0.219 111 A C 2.507 180.039 177.584 -0.088 0.000 1.191 111 A CA 3.282 55.309 52.037 -0.016 0.000 0.638 111 A CB -1.634 17.358 19.000 -0.015 0.000 0.823 111 A HN 0.558 nan 8.150 nan 0.000 0.451 112 T N -3.787 110.706 114.554 -0.101 0.000 2.915 112 T HA -0.189 4.153 4.350 -0.013 0.000 0.269 112 T C 1.788 176.414 174.700 -0.124 0.000 1.071 112 T CA 1.472 63.450 62.100 -0.203 0.000 1.132 112 T CB -0.524 68.266 68.868 -0.131 0.000 0.878 112 T HN 0.520 nan 8.240 nan 0.000 0.479 113 Y N 2.062 122.286 120.300 -0.127 0.000 2.133 113 Y HA -0.060 4.482 4.550 -0.012 0.000 0.287 113 Y C 2.695 178.534 175.900 -0.101 0.000 1.134 113 Y CA 1.487 59.530 58.100 -0.095 0.000 1.133 113 Y CB -0.481 37.943 38.460 -0.061 0.000 0.987 113 Y HN 0.179 nan 8.280 nan 0.000 0.502 114 Q N -0.680 119.106 119.800 -0.024 0.000 2.234 114 Q HA -0.159 4.173 4.340 -0.013 0.000 0.206 114 Q C 1.638 177.526 176.000 -0.186 0.000 0.980 114 Q CA 1.080 56.820 55.803 -0.105 0.000 0.869 114 Q CB -0.127 28.614 28.738 0.006 0.000 0.912 114 Q HN 0.363 nan 8.270 nan 0.000 0.436 115 L N -0.737 120.353 121.223 -0.221 0.000 2.599 115 L HA 0.106 4.438 4.340 -0.013 0.000 0.230 115 L C 1.025 177.725 176.870 -0.284 0.000 1.141 115 L CA 1.282 55.962 54.840 -0.267 0.000 0.877 115 L CB -0.579 41.220 42.059 -0.434 0.000 1.009 115 L HN 0.331 nan 8.230 nan 0.000 0.447 116 G N 0.052 108.668 108.800 -0.305 0.000 2.212 116 G HA2 -0.249 3.704 3.960 -0.013 0.000 0.255 116 G HA3 -0.249 3.704 3.960 -0.013 0.000 0.255 116 G C -0.071 174.679 174.900 -0.251 0.000 1.062 116 G CA 0.404 45.327 45.100 -0.296 0.000 0.815 116 G HN 0.304 nan 8.290 nan 0.000 0.497 117 L N -0.718 120.363 121.223 -0.237 0.000 2.371 117 L HA 0.621 4.953 4.340 -0.013 0.000 0.262 117 L C -0.659 176.173 176.870 -0.063 0.000 1.006 117 L CA -1.255 53.483 54.840 -0.170 0.000 0.818 117 L CB 1.989 43.894 42.059 -0.256 0.000 1.354 117 L HN 0.082 nan 8.230 nan 0.000 0.415 118 D N 1.615 122.011 120.400 -0.006 0.000 2.359 118 D HA 0.201 4.834 4.640 -0.013 0.000 0.230 118 D C 0.583 176.915 176.300 0.054 0.000 1.118 118 D CA -0.237 53.789 54.000 0.042 0.000 0.844 118 D CB 1.616 42.446 40.800 0.050 0.000 1.059 118 D HN 0.532 nan 8.370 nan 0.000 0.493 119 M N 3.355 122.989 119.600 0.057 0.000 2.080 119 M HA -0.160 4.312 4.480 -0.013 0.000 0.260 119 M C 1.491 177.838 176.300 0.078 0.000 1.068 119 M CA 1.583 56.926 55.300 0.071 0.000 1.109 119 M CB 0.129 32.764 32.600 0.059 0.000 1.342 119 M HN 0.430 nan 8.290 nan 0.000 0.405 120 E N -0.237 120.000 120.200 0.062 0.000 2.130 120 E HA -0.285 4.057 4.350 -0.013 0.000 0.196 120 E C 1.873 178.510 176.600 0.061 0.000 0.998 120 E CA 1.610 58.044 56.400 0.057 0.000 0.806 120 E CB -0.193 29.538 29.700 0.052 0.000 0.738 120 E HN 0.645 nan 8.360 nan 0.000 0.459 121 E N 0.139 120.379 120.200 0.067 0.000 2.152 121 E HA -0.173 4.169 4.350 -0.013 0.000 0.192 121 E C 1.806 178.450 176.600 0.074 0.000 0.983 121 E CA 0.440 56.880 56.400 0.066 0.000 0.818 121 E CB 0.225 29.965 29.700 0.067 0.000 0.758 121 E HN 0.086 nan 8.360 nan 0.000 0.467 122 L N 1.049 122.337 121.223 0.108 0.000 2.179 122 L HA -0.043 4.289 4.340 -0.013 0.000 0.208 122 L C 2.004 178.932 176.870 0.097 0.000 1.096 122 L CA 1.433 56.368 54.840 0.159 0.000 0.779 122 L CB -0.445 41.766 42.059 0.253 0.000 0.922 122 L HN 0.082 nan 8.230 nan 0.000 0.443 123 E N -0.542 119.707 120.200 0.082 0.000 2.110 123 E HA -0.200 4.142 4.350 -0.013 0.000 0.193 123 E C 1.781 178.343 176.600 -0.064 0.000 0.988 123 E CA 0.823 57.242 56.400 0.032 0.000 0.804 123 E CB 0.091 29.817 29.700 0.042 0.000 0.745 123 E HN 0.325 nan 8.360 nan 0.000 0.458 124 E N 0.081 120.262 120.200 -0.032 0.000 2.401 124 E HA -0.135 4.207 4.350 -0.013 0.000 0.199 124 E C 1.685 178.222 176.600 -0.106 0.000 1.023 124 E CA 0.631 57.011 56.400 -0.034 0.000 0.859 124 E CB 0.037 29.748 29.700 0.018 0.000 0.780 124 E HN 0.404 nan 8.360 nan 0.000 0.523 125 I N 0.531 120.975 120.570 -0.210 0.000 3.030 125 I HA -0.062 4.100 4.170 -0.013 0.000 0.270 125 I C 1.221 177.017 176.117 -0.536 0.000 1.211 125 I CA 0.092 61.200 61.300 -0.319 0.000 1.479 125 I CB 0.228 38.052 38.000 -0.293 0.000 1.105 125 I HN -0.065 nan 8.210 nan 0.000 0.447 126 E N 2.474 122.258 120.200 -0.692 0.000 2.366 126 E HA -0.041 4.302 4.350 -0.013 0.000 0.266 126 E C -0.020 176.469 176.600 -0.184 0.000 1.015 126 E CA -0.176 55.854 56.400 -0.616 0.000 0.906 126 E CB 0.598 30.061 29.700 -0.397 0.000 0.979 126 E HN 0.089 nan 8.360 nan 0.000 0.443 127 E N 3.224 123.401 120.200 -0.038 0.000 2.354 127 E HA 0.050 4.392 4.350 -0.013 0.000 0.269 127 E C -1.071 175.634 176.600 0.175 0.000 1.036 127 E CA -0.297 56.173 56.400 0.117 0.000 0.876 127 E CB 0.735 30.582 29.700 0.244 0.000 1.009 127 E HN 0.383 nan 8.360 nan 0.000 0.416 128 D N 1.838 122.318 120.400 0.134 0.000 2.399 128 D HA 0.237 4.869 4.640 -0.013 0.000 0.241 128 D C -0.809 175.538 176.300 0.079 0.000 1.133 128 D CA 0.329 54.380 54.000 0.086 0.000 0.890 128 D CB 0.911 41.742 40.800 0.052 0.000 1.201 128 D HN 0.441 nan 8.370 nan 0.000 0.432 129 A N 2.137 124.946 122.820 -0.018 0.000 2.798 129 A HA 0.477 4.789 4.320 -0.013 0.000 0.316 129 A C 0.934 178.371 177.584 -0.244 0.000 1.506 129 A CA -0.504 51.338 52.037 -0.325 0.000 1.162 129 A CB -0.242 18.641 19.000 -0.194 0.000 1.138 129 A HN 0.526 nan 8.150 nan 0.000 0.532 130 G N 1.681 110.304 108.800 -0.295 0.000 3.581 130 G HA2 0.388 4.340 3.960 -0.013 0.000 0.255 130 G HA3 0.388 4.340 3.960 -0.013 0.000 0.255 130 G C 0.345 175.042 174.900 -0.338 0.000 1.121 130 G CA -0.263 44.746 45.100 -0.151 0.000 1.739 130 G HN 0.688 nan 8.290 nan 0.000 0.646 131 L N 1.299 122.367 121.223 -0.258 0.000 2.939 131 L HA 0.376 4.708 4.340 -0.013 0.000 0.239 131 L C 1.041 177.837 176.870 -0.124 0.000 1.325 131 L CA -0.245 54.529 54.840 -0.110 0.000 1.170 131 L CB -0.429 41.690 42.059 0.100 0.000 1.538 131 L HN 0.299 nan 8.230 nan 0.000 0.452 132 G N -1.238 107.257 108.800 -0.508 0.000 2.660 132 G HA2 0.236 4.188 3.960 -0.013 0.000 0.290 132 G HA3 0.236 4.188 3.960 -0.013 0.000 0.290 132 G C -0.183 174.205 174.900 -0.852 0.000 1.432 132 G CA -0.425 44.322 45.100 -0.587 0.000 0.807 132 G HN -0.076 nan 8.290 nan 0.000 0.485 133 N N -0.929 117.512 118.700 -0.432 0.000 2.508 133 N HA 0.220 4.953 4.740 -0.013 0.000 0.186 133 N C 1.133 176.620 175.510 -0.039 0.000 1.034 133 N CA 1.228 54.136 53.050 -0.238 0.000 0.885 133 N CB 1.278 39.739 38.487 -0.043 0.000 1.135 133 N HN 0.765 nan 8.380 nan 0.000 0.435 134 G N -0.720 108.143 108.800 0.104 0.000 3.078 134 G HA2 0.249 4.201 3.960 -0.013 0.000 0.131 134 G HA3 0.249 4.201 3.960 -0.013 0.000 0.131 134 G C 0.756 175.782 174.900 0.210 0.000 1.219 134 G CA 0.315 45.566 45.100 0.252 0.000 1.319 134 G HN 0.189 nan 8.290 nan 0.000 0.653 135 G N 0.500 109.369 108.800 0.114 0.000 2.491 135 G HA2 -0.164 3.788 3.960 -0.013 0.000 0.218 135 G HA3 -0.164 3.788 3.960 -0.013 0.000 0.218 135 G C 1.904 176.806 174.900 0.004 0.000 1.180 135 G CA 1.560 46.690 45.100 0.050 0.000 0.774 135 G HN 0.799 nan 8.290 nan 0.000 0.562 136 L N 0.690 121.879 121.223 -0.055 0.000 2.012 136 L HA 0.025 4.357 4.340 -0.013 0.000 0.210 136 L C 2.841 179.650 176.870 -0.102 0.000 1.073 136 L CA 2.205 56.922 54.840 -0.205 0.000 0.748 136 L CB -0.596 41.279 42.059 -0.307 0.000 0.891 136 L HN 0.253 nan 8.230 nan 0.000 0.431 137 G N -0.956 107.841 108.800 -0.004 0.000 2.408 137 G HA2 -0.226 3.726 3.960 -0.013 0.000 0.217 137 G HA3 -0.226 3.726 3.960 -0.013 0.000 0.217 137 G C 1.707 176.689 174.900 0.137 0.000 1.150 137 G CA 0.220 45.345 45.100 0.041 0.000 0.776 137 G HN 0.181 nan 8.290 nan 0.000 0.542 138 R N -0.048 120.560 120.500 0.180 0.000 2.115 138 R HA 0.128 4.460 4.340 -0.013 0.000 0.226 138 R C 2.461 178.778 176.300 0.027 0.000 1.100 138 R CA 0.593 56.771 56.100 0.130 0.000 0.980 138 R CB -0.884 29.453 30.300 0.062 0.000 0.875 138 R HN 0.406 nan 8.270 nan 0.000 0.445 139 L N 0.764 121.940 121.223 -0.079 0.000 2.042 139 L HA -0.106 4.226 4.340 -0.013 0.000 0.210 139 L C 2.198 178.807 176.870 -0.435 0.000 1.076 139 L CA 2.224 56.888 54.840 -0.293 0.000 0.749 139 L CB -0.711 41.140 42.059 -0.347 0.000 0.893 139 L HN 0.171 nan 8.230 nan 0.000 0.432 140 A N -0.647 122.031 122.820 -0.237 0.000 1.940 140 A HA -0.150 4.162 4.320 -0.013 0.000 0.219 140 A C 2.427 180.053 177.584 0.070 0.000 1.176 140 A CA 1.870 53.821 52.037 -0.144 0.000 0.631 140 A CB -1.132 17.781 19.000 -0.146 0.000 0.814 140 A HN 0.578 nan 8.150 nan 0.000 0.446 141 A N -1.328 121.577 122.820 0.142 0.000 1.930 141 A HA -0.115 4.197 4.320 -0.013 0.000 0.217 141 A C 2.274 179.931 177.584 0.122 0.000 1.175 141 A CA 1.557 53.704 52.037 0.183 0.000 0.627 141 A CB -1.126 17.973 19.000 0.166 0.000 0.815 141 A HN 0.584 nan 8.150 nan 0.000 0.443 142 C N -1.654 117.722 119.300 0.125 0.000 2.440 142 C HA -0.003 4.449 4.460 -0.013 0.000 0.278 142 C C 2.383 177.531 174.990 0.264 0.000 1.295 142 C CA 0.466 59.595 59.018 0.186 0.000 1.738 142 C CB -1.531 26.342 27.740 0.221 0.000 1.987 142 C HN 0.611 nan 8.230 nan 0.000 0.492 143 F N 0.526 120.449 119.950 -0.044 0.000 2.134 143 F HA -0.066 4.453 4.527 -0.013 0.000 0.299 143 F C 2.106 177.835 175.800 -0.118 0.000 1.097 143 F CA 1.051 58.972 58.000 -0.132 0.000 1.264 143 F CB -1.276 37.506 39.000 -0.362 0.000 1.001 143 F HN 0.082 nan 8.300 nan 0.000 0.479 144 L N 0.347 121.635 121.223 0.108 0.000 2.012 144 L HA -0.236 4.096 4.340 -0.013 0.000 0.210 144 L C 2.407 179.278 176.870 0.001 0.000 1.073 144 L CA 1.925 56.784 54.840 0.032 0.000 0.748 144 L CB -1.181 40.904 42.059 0.044 0.000 0.891 144 L HN 0.188 nan 8.230 nan 0.000 0.431 145 D N -1.398 119.012 120.400 0.016 0.000 2.117 145 D HA -0.166 4.466 4.640 -0.013 0.000 0.197 145 D C 1.888 178.192 176.300 0.007 0.000 0.987 145 D CA 1.535 55.531 54.000 -0.008 0.000 0.829 145 D CB 0.432 41.226 40.800 -0.011 0.000 0.961 145 D HN 0.315 nan 8.370 nan 0.000 0.460 146 S N -0.074 115.644 115.700 0.032 0.000 2.368 146 S HA -0.061 4.401 4.470 -0.013 0.000 0.224 146 S C 2.125 176.723 174.600 -0.004 0.000 1.029 146 S CA 0.699 58.909 58.200 0.018 0.000 0.988 146 S CB -0.118 63.096 63.200 0.025 0.000 0.838 146 S HN 0.328 nan 8.310 nan 0.000 0.462 147 M N 0.955 120.544 119.600 -0.018 0.000 2.159 147 M HA -0.109 4.363 4.480 -0.013 0.000 0.263 147 M C 2.374 178.657 176.300 -0.027 0.000 1.063 147 M CA 1.385 56.670 55.300 -0.025 0.000 1.110 147 M CB -0.426 32.144 32.600 -0.051 0.000 1.374 147 M HN 0.410 nan 8.290 nan 0.000 0.411 148 A N -0.562 122.240 122.820 -0.030 0.000 1.897 148 A HA -0.111 4.201 4.320 -0.013 0.000 0.215 148 A C 2.119 179.700 177.584 -0.005 0.000 1.181 148 A CA 1.918 53.938 52.037 -0.028 0.000 0.620 148 A CB -1.009 17.960 19.000 -0.052 0.000 0.821 148 A HN 0.401 nan 8.150 nan 0.000 0.443 149 T N 0.273 114.833 114.554 0.009 0.000 2.881 149 T HA 0.013 4.355 4.350 -0.013 0.000 0.270 149 T C 1.289 176.007 174.700 0.029 0.000 1.068 149 T CA 1.028 63.150 62.100 0.036 0.000 1.131 149 T CB -0.259 68.644 68.868 0.058 0.000 0.871 149 T HN 0.332 nan 8.240 nan 0.000 0.479 150 L N 0.389 121.624 121.223 0.019 0.000 2.653 150 L HA 0.303 4.635 4.340 -0.013 0.000 0.231 150 L C 1.520 178.403 176.870 0.021 0.000 1.153 150 L CA -0.159 54.694 54.840 0.021 0.000 0.933 150 L CB -0.356 41.716 42.059 0.022 0.000 1.175 150 L HN 0.361 nan 8.230 nan 0.000 0.473 151 G N 1.491 110.303 108.800 0.020 0.000 2.323 151 G HA2 -0.282 3.670 3.960 -0.013 0.000 0.292 151 G HA3 -0.282 3.670 3.960 -0.013 0.000 0.292 151 G C -0.000 174.911 174.900 0.018 0.000 1.040 151 G CA 0.102 45.223 45.100 0.035 0.000 0.942 151 G HN 0.280 nan 8.290 nan 0.000 0.506 152 L N -0.316 120.890 121.223 -0.028 0.000 2.325 152 L HA 0.635 4.967 4.340 -0.013 0.000 0.279 152 L C 1.147 177.857 176.870 -0.268 0.000 1.054 152 L CA -0.515 54.258 54.840 -0.111 0.000 0.804 152 L CB 1.749 43.763 42.059 -0.076 0.000 1.200 152 L HN 0.283 nan 8.230 nan 0.000 0.436 153 A N 2.990 125.506 122.820 -0.507 0.000 2.990 153 A HA 0.570 4.882 4.320 -0.013 0.000 0.282 153 A C 0.266 177.478 177.584 -0.621 0.000 1.688 153 A CA -0.167 51.295 52.037 -0.959 0.000 1.391 153 A CB -0.636 17.686 19.000 -1.131 0.000 1.112 153 A HN 0.687 nan 8.150 nan 0.000 0.588 154 A N 1.492 124.002 122.820 -0.517 0.000 2.340 154 A HA 0.797 5.109 4.320 -0.013 0.000 0.331 154 A C -1.104 176.205 177.584 -0.459 0.000 1.140 154 A CA -0.446 51.349 52.037 -0.403 0.000 0.801 154 A CB 0.756 19.597 19.000 -0.266 0.000 1.234 154 A HN 0.584 nan 8.150 nan 0.000 0.469 155 Y N 0.225 120.442 120.300 -0.139 0.000 2.391 155 Y HA 0.560 5.102 4.550 -0.013 0.000 0.341 155 Y C 0.808 176.786 175.900 0.130 0.000 0.965 155 Y CA -0.683 57.413 58.100 -0.006 0.000 1.067 155 Y CB 2.249 40.791 38.460 0.137 0.000 1.199 155 Y HN 0.817 nan 8.280 nan 0.000 0.450 156 G N 2.043 110.918 108.800 0.125 0.000 2.322 156 G HA2 0.458 4.410 3.960 -0.013 0.000 0.309 156 G HA3 0.458 4.410 3.960 -0.013 0.000 0.309 156 G C -1.800 173.104 174.900 0.007 0.000 1.121 156 G CA -0.295 44.906 45.100 0.169 0.000 0.886 156 G HN 0.508 nan 8.290 nan 0.000 0.447 157 Y N 1.056 121.586 120.300 0.384 0.000 2.350 157 Y HA 0.635 5.177 4.550 -0.013 0.000 0.338 157 Y C 0.735 176.947 175.900 0.520 0.000 0.961 157 Y CA 0.199 58.497 58.100 0.330 0.000 1.100 157 Y CB 2.663 41.348 38.460 0.374 0.000 1.179 157 Y HN 0.877 nan 8.280 nan 0.000 0.454 158 G N 2.444 111.565 108.800 0.535 0.000 2.753 158 G HA2 0.561 4.513 3.960 -0.013 0.000 0.303 158 G HA3 0.561 4.513 3.960 -0.013 0.000 0.303 158 G C -1.749 173.399 174.900 0.414 0.000 1.242 158 G CA -0.819 44.632 45.100 0.586 0.000 0.810 158 G HN 0.418 nan 8.290 nan 0.000 0.515 159 I N 0.644 121.350 120.570 0.226 0.000 2.441 159 I HA 0.430 4.592 4.170 -0.013 0.000 0.295 159 I C 0.151 176.163 176.117 -0.174 0.000 0.994 159 I CA -0.718 60.596 61.300 0.024 0.000 1.144 159 I CB 2.163 39.972 38.000 -0.319 0.000 1.314 159 I HN 0.363 nan 8.210 nan 0.000 0.445 160 R N 6.257 126.757 120.500 0.002 0.000 2.593 160 R HA 0.258 4.590 4.340 -0.013 0.000 0.282 160 R C -1.271 175.082 176.300 0.089 0.000 1.300 160 R CA -0.446 55.692 56.100 0.063 0.000 1.221 160 R CB 0.011 30.333 30.300 0.036 0.000 1.157 160 R HN 0.395 nan 8.270 nan 0.000 0.555 161 Y N 1.539 121.989 120.300 0.250 0.000 2.411 161 Y HA -0.032 4.510 4.550 -0.013 0.000 0.333 161 Y C 1.525 177.592 175.900 0.278 0.000 1.186 161 Y CA -0.084 58.150 58.100 0.223 0.000 1.381 161 Y CB 0.917 39.489 38.460 0.187 0.000 1.273 161 Y HN 0.559 nan 8.280 nan 0.000 0.546 162 E N 0.715 121.076 120.200 0.267 0.000 2.442 162 E HA 0.067 4.409 4.350 -0.013 0.000 0.195 162 E C -0.877 175.594 176.600 -0.214 0.000 1.030 162 E CA 0.408 56.791 56.400 -0.029 0.000 0.869 162 E CB 0.136 29.620 29.700 -0.360 0.000 0.857 162 E HN 0.353 nan 8.360 nan 0.000 0.505 163 F N 1.299 121.483 119.950 0.390 0.000 2.553 163 F HA 0.479 4.998 4.527 -0.013 0.000 0.335 163 F C 0.811 176.690 175.800 0.131 0.000 1.148 163 F CA -0.994 57.173 58.000 0.279 0.000 0.963 163 F CB 1.878 40.975 39.000 0.163 0.000 1.217 163 F HN -0.061 nan 8.300 nan 0.000 0.441 164 G N 1.865 110.777 108.800 0.186 0.000 2.546 164 G HA2 0.331 4.283 3.960 -0.013 0.000 0.239 164 G HA3 0.331 4.283 3.960 -0.013 0.000 0.239 164 G C -0.381 174.477 174.900 -0.070 0.000 1.476 164 G CA -0.613 44.438 45.100 -0.082 0.000 1.064 164 G HN 0.504 nan 8.290 nan 0.000 0.561 165 I N 0.873 121.328 120.570 -0.191 0.000 2.710 165 I HA 0.241 4.403 4.170 -0.013 0.000 0.286 165 I C 0.571 176.604 176.117 -0.140 0.000 1.181 165 I CA -1.161 60.002 61.300 -0.229 0.000 1.430 165 I CB -0.173 37.592 38.000 -0.391 0.000 1.367 165 I HN 0.342 nan 8.210 nan 0.000 0.577 166 F N 6.263 126.219 119.950 0.011 0.000 2.586 166 F HA 0.249 4.768 4.527 -0.013 0.000 0.344 166 F C 0.399 176.245 175.800 0.076 0.000 1.188 166 F CA -0.481 57.546 58.000 0.045 0.000 1.359 166 F CB -0.238 38.776 39.000 0.023 0.000 1.129 166 F HN 0.427 nan 8.300 nan 0.000 0.609 167 N N 2.053 120.946 118.700 0.323 0.000 2.434 167 N HA 0.080 4.812 4.740 -0.013 0.000 0.272 167 N C -0.944 174.807 175.510 0.403 0.000 1.040 167 N CA -0.383 52.816 53.050 0.249 0.000 0.956 167 N CB 1.375 39.994 38.487 0.219 0.000 1.108 167 N HN 0.766 nan 8.380 nan 0.000 0.481 168 Q N 2.472 122.482 119.800 0.350 0.000 2.256 168 Q HA 0.212 4.544 4.340 -0.013 0.000 0.254 168 Q C -0.990 175.183 176.000 0.290 0.000 0.916 168 Q CA -0.271 55.777 55.803 0.409 0.000 0.932 168 Q CB 0.854 29.847 28.738 0.426 0.000 1.207 168 Q HN 0.266 nan 8.270 nan 0.000 0.426 169 K N 4.331 124.875 120.400 0.241 0.000 2.324 169 K HA 0.442 4.754 4.320 -0.013 0.000 0.253 169 K C -0.852 175.849 176.600 0.168 0.000 0.932 169 K CA -0.941 55.463 56.287 0.195 0.000 0.799 169 K CB 1.569 34.161 32.500 0.153 0.000 1.154 169 K HN 0.630 nan 8.250 nan 0.000 0.425 170 I N 2.710 123.375 120.570 0.158 0.000 2.312 170 I HA 0.192 4.354 4.170 -0.013 0.000 0.290 170 I C -0.148 176.029 176.117 0.100 0.000 1.008 170 I CA -0.717 60.646 61.300 0.105 0.000 1.226 170 I CB 0.587 38.632 38.000 0.076 0.000 1.371 170 I HN 0.462 nan 8.210 nan 0.000 0.468 171 C N 4.294 123.664 119.300 0.116 0.000 2.301 171 C HA 0.585 5.037 4.460 -0.013 0.000 0.323 171 C C 1.173 176.265 174.990 0.170 0.000 1.265 171 C CA -0.270 58.822 59.018 0.122 0.000 1.503 171 C CB 0.361 28.167 27.740 0.111 0.000 2.195 171 C HN 1.086 nan 8.230 nan 0.000 0.477 172 G N 2.698 111.569 108.800 0.118 0.000 2.225 172 G HA2 0.081 4.034 3.960 -0.013 0.000 0.267 172 G HA3 0.081 4.034 3.960 -0.013 0.000 0.267 172 G C 1.076 175.985 174.900 0.015 0.000 1.024 172 G CA 0.964 46.141 45.100 0.128 0.000 0.784 172 G HN 2.310 nan 8.290 nan 0.000 0.507 173 G N -2.865 105.891 108.800 -0.073 0.000 2.199 173 G HA2 -0.292 3.660 3.960 -0.013 0.000 0.254 173 G HA3 -0.292 3.660 3.960 -0.013 0.000 0.254 173 G C 0.405 175.055 174.900 -0.416 0.000 0.982 173 G CA 0.650 45.580 45.100 -0.283 0.000 0.632 173 G HN 1.187 nan 8.290 nan 0.000 0.529 174 W N 0.852 122.096 121.300 -0.094 0.000 2.448 174 W HA 0.663 5.316 4.660 -0.013 0.000 0.339 174 W C 0.667 177.131 176.519 -0.092 0.000 1.124 174 W CA -0.794 56.489 57.345 -0.103 0.000 1.262 174 W CB 0.771 30.187 29.460 -0.073 0.000 1.251 174 W HN 0.264 nan 8.180 nan 0.000 0.597 175 Q N 2.662 122.567 119.800 0.175 0.000 2.288 175 Q HA 0.319 4.651 4.340 -0.013 0.000 0.254 175 Q C -0.718 175.336 176.000 0.091 0.000 0.932 175 Q CA -0.062 55.806 55.803 0.109 0.000 0.902 175 Q CB 0.652 29.447 28.738 0.095 0.000 1.203 175 Q HN 0.302 nan 8.270 nan 0.000 0.415 176 M N 3.176 122.824 119.600 0.081 0.000 2.321 176 M HA 0.380 4.852 4.480 -0.013 0.000 0.315 176 M C -1.209 175.092 176.300 0.002 0.000 1.052 176 M CA -0.640 54.674 55.300 0.024 0.000 0.936 176 M CB 1.725 34.355 32.600 0.051 0.000 1.639 176 M HN 0.646 nan 8.290 nan 0.000 0.433 177 E N 1.925 122.049 120.200 -0.126 0.000 2.231 177 E HA 0.507 4.849 4.350 -0.013 0.000 0.277 177 E C -0.565 176.007 176.600 -0.047 0.000 0.999 177 E CA -0.518 55.761 56.400 -0.202 0.000 0.827 177 E CB 1.671 30.991 29.700 -0.635 0.000 1.101 177 E HN 0.529 nan 8.360 nan 0.000 0.393 178 E N 1.339 121.588 120.200 0.083 0.000 2.308 178 E HA 0.612 4.954 4.350 -0.013 0.000 0.275 178 E C -1.223 175.449 176.600 0.120 0.000 0.890 178 E CA -1.308 55.136 56.400 0.073 0.000 0.754 178 E CB 1.336 31.089 29.700 0.089 0.000 1.207 178 E HN 0.518 nan 8.360 nan 0.000 0.426 179 A N 2.960 125.801 122.820 0.035 0.000 2.584 179 A HA 0.007 4.320 4.320 -0.013 0.000 0.239 179 A C 0.029 177.739 177.584 0.210 0.000 1.043 179 A CA 0.732 52.782 52.037 0.020 0.000 0.756 179 A CB -0.070 18.784 19.000 -0.244 0.000 0.963 179 A HN 0.680 nan 8.150 nan 0.000 0.511 180 D N 1.792 122.396 120.400 0.340 0.000 2.500 180 D HA 0.192 4.825 4.640 -0.013 0.000 0.219 180 D C -0.543 176.126 176.300 0.615 0.000 1.137 180 D CA -0.246 53.993 54.000 0.398 0.000 0.946 180 D CB 0.428 41.405 40.800 0.294 0.000 1.022 180 D HN 0.356 nan 8.370 nan 0.000 0.518 181 D N 4.131 124.857 120.400 0.543 0.000 2.713 181 D HA -0.016 4.616 4.640 -0.013 0.000 0.229 181 D C 1.085 177.578 176.300 0.322 0.000 1.136 181 D CA -0.553 53.722 54.000 0.458 0.000 1.010 181 D CB -0.138 40.907 40.800 0.408 0.000 1.084 181 D HN 0.592 nan 8.370 nan 0.000 0.495 182 W N 2.098 123.483 121.300 0.140 0.000 2.611 182 W HA -0.050 4.602 4.660 -0.013 0.000 0.251 182 W C 0.153 176.752 176.519 0.134 0.000 1.265 182 W CA 0.070 57.498 57.345 0.139 0.000 1.295 182 W CB -0.778 28.757 29.460 0.125 0.000 1.129 182 W HN 0.195 nan 8.180 nan 0.000 0.630 183 L N 0.779 121.663 121.223 -0.565 0.000 2.607 183 L HA 0.169 4.501 4.340 -0.013 0.000 0.228 183 L C 2.753 179.500 176.870 -0.205 0.000 1.123 183 L CA -0.015 54.475 54.840 -0.584 0.000 0.890 183 L CB -0.620 40.975 42.059 -0.774 0.000 1.103 183 L HN -0.118 nan 8.230 nan 0.000 0.468 184 R N 0.901 121.358 120.500 -0.072 0.000 2.162 184 R HA -0.271 4.061 4.340 -0.013 0.000 0.245 184 R C 1.550 177.761 176.300 -0.149 0.000 1.129 184 R CA 2.404 58.458 56.100 -0.077 0.000 0.940 184 R CB -0.366 29.940 30.300 0.010 0.000 0.875 184 R HN 0.295 nan 8.270 nan 0.000 0.437 185 Y N -0.542 119.777 120.300 0.032 0.000 2.466 185 Y HA 0.319 4.861 4.550 -0.013 0.000 0.272 185 Y C 0.941 176.848 175.900 0.011 0.000 1.169 185 Y CA 0.601 58.730 58.100 0.048 0.000 1.285 185 Y CB 0.835 39.424 38.460 0.215 0.000 1.078 185 Y HN 0.533 nan 8.280 nan 0.000 0.523 186 G N 1.069 109.936 108.800 0.111 0.000 2.619 186 G HA2 -0.189 3.763 3.960 -0.013 0.000 0.686 186 G HA3 -0.189 3.763 3.960 -0.013 0.000 0.686 186 G C -1.373 173.605 174.900 0.130 0.000 1.256 186 G CA -0.848 44.282 45.100 0.049 0.000 0.826 186 G HN 0.195 nan 8.290 nan 0.000 0.619 187 N N 1.105 119.827 118.700 0.037 0.000 2.573 187 N HA 0.535 5.267 4.740 -0.013 0.000 0.262 187 N C -0.915 174.589 175.510 -0.009 0.000 1.029 187 N CA -1.970 51.109 53.050 0.050 0.000 0.882 187 N CB 2.085 40.550 38.487 -0.037 0.000 1.204 187 N HN 0.251 nan 8.380 nan 0.000 0.519 188 P HA 0.025 nan 4.420 nan 0.000 0.234 188 P C 0.532 177.457 177.300 -0.625 0.000 1.167 188 P CA 0.657 63.420 63.100 -0.561 0.000 0.763 188 P CB 0.075 31.162 31.700 -1.022 0.000 0.835 189 W N 1.646 122.949 121.300 0.006 0.000 2.630 189 W HA 0.080 4.733 4.660 -0.013 0.000 0.271 189 W C 1.324 177.878 176.519 0.058 0.000 1.244 189 W CA -0.362 56.984 57.345 0.002 0.000 1.353 189 W CB -0.223 29.239 29.460 0.004 0.000 1.080 189 W HN -0.039 nan 8.180 nan 0.000 0.594 190 E N 1.873 122.246 120.200 0.289 0.000 2.349 190 E HA 0.279 4.621 4.350 -0.013 0.000 0.262 190 E C -0.568 176.202 176.600 0.283 0.000 1.088 190 E CA -0.574 56.005 56.400 0.298 0.000 0.899 190 E CB 1.209 31.097 29.700 0.314 0.000 1.044 190 E HN -0.307 nan 8.360 nan 0.000 0.420 191 K N 1.464 122.047 120.400 0.305 0.000 2.616 191 K HA 0.391 4.703 4.320 -0.013 0.000 0.241 191 K C -1.191 175.444 176.600 0.057 0.000 0.961 191 K CA -0.376 56.030 56.287 0.198 0.000 0.942 191 K CB 1.336 33.964 32.500 0.213 0.000 1.153 191 K HN 0.670 nan 8.250 nan 0.000 0.452 192 A N 3.908 126.688 122.820 -0.067 0.000 2.540 192 A HA 0.288 4.600 4.320 -0.013 0.000 0.239 192 A C -0.210 177.211 177.584 -0.273 0.000 1.061 192 A CA 0.073 51.805 52.037 -0.508 0.000 0.758 192 A CB 0.211 18.927 19.000 -0.474 0.000 0.991 192 A HN 0.682 nan 8.150 nan 0.000 0.502 193 R N 3.123 123.450 120.500 -0.289 0.000 2.738 193 R HA 0.194 4.526 4.340 -0.013 0.000 0.280 193 R C -2.362 173.935 176.300 -0.004 0.000 1.456 193 R CA -1.526 54.541 56.100 -0.055 0.000 1.612 193 R CB 0.795 31.122 30.300 0.045 0.000 1.286 193 R HN 0.557 nan 8.270 nan 0.000 0.660 194 P HA -0.214 nan 4.420 nan 0.000 0.218 194 P C 0.970 178.284 177.300 0.023 0.000 1.146 194 P CA 1.259 64.356 63.100 -0.006 0.000 0.813 194 P CB 0.309 31.997 31.700 -0.020 0.000 0.778 195 E N -0.720 119.474 120.200 -0.010 0.000 2.472 195 E HA -0.129 4.213 4.350 -0.013 0.000 0.200 195 E C 0.540 177.003 176.600 -0.229 0.000 1.046 195 E CA 0.699 57.027 56.400 -0.121 0.000 0.871 195 E CB -0.755 28.830 29.700 -0.193 0.000 0.806 195 E HN 0.281 nan 8.360 nan 0.000 0.533 196 F N 1.592 121.569 119.950 0.044 0.000 2.791 196 F HA 0.236 4.755 4.527 -0.013 0.000 0.308 196 F C 0.293 176.195 175.800 0.172 0.000 1.138 196 F CA -0.376 57.682 58.000 0.097 0.000 1.294 196 F CB 0.760 39.817 39.000 0.095 0.000 0.975 196 F HN -0.275 nan 8.300 nan 0.000 0.512 197 T N 2.694 117.396 114.554 0.245 0.000 2.916 197 T HA 0.281 4.623 4.350 -0.013 0.000 0.303 197 T C -0.246 174.566 174.700 0.186 0.000 1.025 197 T CA 0.352 62.597 62.100 0.242 0.000 1.142 197 T CB 0.700 69.663 68.868 0.160 0.000 0.947 197 T HN -0.161 nan 8.240 nan 0.000 0.544 198 L N 5.290 126.604 121.223 0.151 0.000 2.333 198 L HA 0.641 4.973 4.340 -0.013 0.000 0.263 198 L C -2.265 174.585 176.870 -0.034 0.000 1.014 198 L CA -2.590 52.265 54.840 0.026 0.000 0.820 198 L CB 1.935 43.944 42.059 -0.084 0.000 1.352 198 L HN 0.391 nan 8.230 nan 0.000 0.421 199 P HA 0.456 nan 4.420 nan 0.000 0.296 199 P C -1.360 175.804 177.300 -0.226 0.000 1.301 199 P CA -0.531 62.494 63.100 -0.125 0.000 0.862 199 P CB 2.152 33.778 31.700 -0.123 0.000 1.046 200 V N 3.873 123.635 119.914 -0.253 0.000 2.588 200 V HA 0.330 4.442 4.120 -0.013 0.000 0.304 200 V C 0.126 175.966 176.094 -0.423 0.000 1.042 200 V CA -0.606 61.523 62.300 -0.285 0.000 0.877 200 V CB 1.518 33.248 31.823 -0.155 0.000 0.996 200 V HN 0.611 nan 8.190 nan 0.000 0.425 201 H N 3.882 122.768 119.070 -0.306 0.000 2.472 201 H HA 0.630 5.179 4.556 -0.013 0.000 0.335 201 H C -1.327 173.603 175.328 -0.663 0.000 1.136 201 H CA -0.166 55.594 56.048 -0.480 0.000 1.264 201 H CB 1.872 31.109 29.762 -0.876 0.000 1.486 201 H HN 0.452 nan 8.280 nan 0.000 0.517 202 F N -0.058 119.885 119.950 -0.012 0.000 2.599 202 F HA 0.210 4.729 4.527 -0.013 0.000 0.311 202 F C -0.250 175.626 175.800 0.126 0.000 1.076 202 F CA -0.586 57.425 58.000 0.019 0.000 0.937 202 F CB 0.906 39.861 39.000 -0.074 0.000 1.282 202 F HN 0.574 nan 8.300 nan 0.000 0.460 203 Y N 0.226 120.780 120.300 0.422 0.000 2.896 203 Y HA -0.005 4.537 4.550 -0.013 0.000 0.466 203 Y C 1.408 177.515 175.900 0.345 0.000 1.197 203 Y CA 0.707 58.984 58.100 0.296 0.000 2.513 203 Y CB -1.883 36.678 38.460 0.169 0.000 1.232 203 Y HN 1.322 nan 8.280 nan 0.000 0.632 204 G N 0.695 109.727 108.800 0.387 0.000 2.645 204 G HA2 0.091 4.043 3.960 -0.013 0.000 0.239 204 G HA3 0.091 4.043 3.960 -0.013 0.000 0.239 204 G C -0.504 174.586 174.900 0.317 0.000 1.331 204 G CA 0.881 46.128 45.100 0.245 0.000 0.890 204 G HN 1.341 nan 8.290 nan 0.000 0.572 205 R N -2.595 118.085 120.500 0.300 0.000 2.810 205 R HA 0.743 5.075 4.340 -0.013 0.000 0.266 205 R C -1.535 174.891 176.300 0.210 0.000 1.061 205 R CA -0.865 55.367 56.100 0.220 0.000 0.943 205 R CB 1.309 31.685 30.300 0.127 0.000 1.237 205 R HN 0.940 nan 8.270 nan 0.000 0.459 206 V N 0.989 120.943 119.914 0.066 0.000 2.384 206 V HA 0.345 4.457 4.120 -0.013 0.000 0.287 206 V C -0.383 175.629 176.094 -0.136 0.000 1.020 206 V CA -0.586 61.677 62.300 -0.061 0.000 0.850 206 V CB 1.423 33.135 31.823 -0.184 0.000 0.987 206 V HN 0.663 nan 8.190 nan 0.000 0.436 207 E N 3.485 123.597 120.200 -0.147 0.000 2.151 207 E HA 0.381 4.723 4.350 -0.013 0.000 0.275 207 E C -0.940 175.536 176.600 -0.205 0.000 0.936 207 E CA -0.658 55.678 56.400 -0.107 0.000 0.777 207 E CB 0.917 30.604 29.700 -0.023 0.000 1.108 207 E HN 0.647 nan 8.360 nan 0.000 0.401 208 H N 2.652 121.736 119.070 0.024 0.000 2.724 208 H HA 0.163 4.711 4.556 -0.013 0.000 0.278 208 H C -0.266 175.071 175.328 0.016 0.000 1.159 208 H CA -0.194 55.864 56.048 0.016 0.000 1.254 208 H CB 0.564 30.331 29.762 0.009 0.000 1.412 208 H HN 0.410 nan 8.280 nan 0.000 0.488 209 T N -0.032 114.577 114.554 0.091 0.000 2.824 209 T HA 0.293 4.635 4.350 -0.013 0.000 0.282 209 T C 1.132 175.865 174.700 0.055 0.000 0.993 209 T CA -0.236 61.902 62.100 0.064 0.000 0.967 209 T CB 1.925 70.816 68.868 0.039 0.000 0.960 209 T HN 0.527 nan 8.240 nan 0.000 0.441 210 S N 2.746 118.474 115.700 0.047 0.000 2.746 210 S HA -0.376 4.086 4.470 -0.013 0.000 0.526 210 S C 0.897 175.519 174.600 0.038 0.000 0.959 210 S CA 1.908 60.129 58.200 0.036 0.000 3.281 210 S CB -1.396 61.822 63.200 0.029 0.000 2.286 210 S HN 0.858 nan 8.310 nan 0.000 0.525 211 Q N 2.874 122.695 119.800 0.036 0.000 2.923 211 Q HA 0.562 4.894 4.340 -0.013 0.000 0.363 211 Q C 0.216 176.240 176.000 0.039 0.000 1.159 211 Q CA 0.822 56.646 55.803 0.035 0.000 1.073 211 Q CB 0.462 29.217 28.738 0.028 0.000 1.364 211 Q HN 1.004 nan 8.270 nan 0.000 0.466 212 G N -0.257 108.576 108.800 0.055 0.000 2.459 212 G HA2 0.249 4.201 3.960 -0.013 0.000 0.685 212 G HA3 0.249 4.201 3.960 -0.013 0.000 0.685 212 G C -1.020 173.911 174.900 0.053 0.000 1.303 212 G CA -0.658 44.477 45.100 0.058 0.000 0.907 212 G HN 0.491 nan 8.290 nan 0.000 0.632 213 A N 0.504 123.346 122.820 0.036 0.000 2.304 213 A HA 0.824 5.136 4.320 -0.013 0.000 0.271 213 A C 0.407 177.950 177.584 -0.069 0.000 1.091 213 A CA 0.061 52.050 52.037 -0.080 0.000 0.812 213 A CB 0.814 19.735 19.000 -0.132 0.000 1.056 213 A HN 0.784 nan 8.150 nan 0.000 0.489 214 K N 0.522 120.867 120.400 -0.092 0.000 2.507 214 K HA 0.188 4.501 4.320 -0.013 0.000 0.251 214 K C -1.820 174.814 176.600 0.056 0.000 0.943 214 K CA -0.386 55.893 56.287 -0.014 0.000 0.794 214 K CB 1.899 34.394 32.500 -0.010 0.000 1.188 214 K HN 0.730 nan 8.250 nan 0.000 0.428 215 W N 4.948 126.162 121.300 -0.143 0.000 2.358 215 W HA 0.367 5.019 4.660 -0.013 0.000 0.307 215 W C -0.999 175.446 176.519 -0.124 0.000 1.203 215 W CA -0.599 56.663 57.345 -0.137 0.000 1.279 215 W CB 0.465 29.831 29.460 -0.157 0.000 1.264 215 W HN 0.197 nan 8.180 nan 0.000 0.474 216 V N 6.404 126.399 119.914 0.133 0.000 3.074 216 V HA 0.337 4.449 4.120 -0.013 0.000 0.314 216 V C -0.505 175.560 176.094 -0.049 0.000 1.117 216 V CA -0.622 61.663 62.300 -0.024 0.000 1.014 216 V CB 2.117 33.951 31.823 0.019 0.000 1.057 216 V HN 0.457 nan 8.190 nan 0.000 0.438 217 D N 1.438 121.799 120.400 -0.066 0.000 2.689 217 D HA -0.129 4.503 4.640 -0.013 0.000 0.237 217 D C 0.379 176.626 176.300 -0.088 0.000 1.148 217 D CA 1.382 55.344 54.000 -0.062 0.000 0.656 217 D CB -1.167 39.626 40.800 -0.013 0.000 1.050 217 D HN 0.850 nan 8.370 nan 0.000 0.426 218 T N -3.069 111.388 114.554 -0.162 0.000 2.918 218 T HA 0.409 4.751 4.350 -0.013 0.000 0.283 218 T C 0.219 174.888 174.700 -0.051 0.000 1.001 218 T CA -0.892 61.120 62.100 -0.147 0.000 1.041 218 T CB 2.656 71.265 68.868 -0.431 0.000 1.028 218 T HN 0.204 nan 8.240 nan 0.000 0.511 219 Q N 1.365 121.208 119.800 0.072 0.000 2.256 219 Q HA 0.504 4.836 4.340 -0.013 0.000 0.254 219 Q C -1.421 174.642 176.000 0.105 0.000 0.916 219 Q CA -0.790 55.061 55.803 0.079 0.000 0.932 219 Q CB 1.150 30.015 28.738 0.211 0.000 1.207 219 Q HN 0.627 nan 8.270 nan 0.000 0.426 220 V N 4.530 124.463 119.914 0.032 0.000 2.435 220 V HA 0.438 4.550 4.120 -0.013 0.000 0.290 220 V C -0.412 175.731 176.094 0.082 0.000 1.030 220 V CA -0.605 61.674 62.300 -0.035 0.000 0.881 220 V CB 1.742 33.502 31.823 -0.105 0.000 0.983 220 V HN 0.640 nan 8.190 nan 0.000 0.445 221 V N 5.973 125.968 119.914 0.136 0.000 2.604 221 V HA 0.511 4.623 4.120 -0.013 0.000 0.305 221 V C -0.228 175.978 176.094 0.187 0.000 1.043 221 V CA -0.643 61.777 62.300 0.199 0.000 0.888 221 V CB 1.956 33.967 31.823 0.313 0.000 0.995 221 V HN 0.628 nan 8.190 nan 0.000 0.429 222 L N 3.268 124.604 121.223 0.188 0.000 2.357 222 L HA 0.810 5.142 4.340 -0.013 0.000 0.273 222 L C 0.359 177.431 176.870 0.335 0.000 1.080 222 L CA -0.508 54.444 54.840 0.187 0.000 0.803 222 L CB 1.506 43.654 42.059 0.149 0.000 1.174 222 L HN 0.750 nan 8.230 nan 0.000 0.443 223 A N 4.356 127.329 122.820 0.255 0.000 2.285 223 A HA 0.598 4.910 4.320 -0.013 0.000 0.310 223 A C -0.532 177.337 177.584 0.475 0.000 1.266 223 A CA -0.464 51.765 52.037 0.320 0.000 0.832 223 A CB 0.963 19.726 19.000 -0.394 0.000 1.163 223 A HN 0.787 nan 8.150 nan 0.000 0.499 224 M N 6.021 125.954 119.600 0.555 0.000 2.129 224 M HA 0.498 4.970 4.480 -0.013 0.000 0.348 224 M C -2.619 173.959 176.300 0.463 0.000 1.116 224 M CA -2.012 53.555 55.300 0.445 0.000 1.022 224 M CB 1.926 34.719 32.600 0.321 0.000 1.599 224 M HN 0.341 nan 8.290 nan 0.000 0.449 225 P HA 0.267 nan 4.420 nan 0.000 0.282 225 P C -1.945 175.269 177.300 -0.143 0.000 1.249 225 P CA -0.023 62.983 63.100 -0.157 0.000 0.806 225 P CB 0.542 31.925 31.700 -0.528 0.000 0.984 226 Y N 0.378 120.595 120.300 -0.138 0.000 2.329 226 Y HA 0.294 4.836 4.550 -0.013 0.000 0.328 226 Y C 0.022 175.895 175.900 -0.044 0.000 0.992 226 Y CA -0.380 57.705 58.100 -0.026 0.000 1.151 226 Y CB 1.372 39.854 38.460 0.037 0.000 1.150 226 Y HN 0.208 nan 8.280 nan 0.000 0.450 227 D N 2.179 122.669 120.400 0.150 0.000 2.198 227 D HA 0.385 5.017 4.640 -0.013 0.000 0.245 227 D C -0.507 176.012 176.300 0.365 0.000 1.079 227 D CA -0.123 54.013 54.000 0.227 0.000 0.854 227 D CB 1.749 42.714 40.800 0.275 0.000 1.148 227 D HN 0.360 nan 8.370 nan 0.000 0.456 228 T N 3.203 117.865 114.554 0.179 0.000 2.824 228 T HA 0.457 4.799 4.350 -0.013 0.000 0.282 228 T C -2.522 171.978 174.700 -0.333 0.000 0.993 228 T CA -1.488 60.613 62.100 0.001 0.000 0.967 228 T CB 2.061 70.931 68.868 0.003 0.000 0.960 228 T HN 0.166 nan 8.240 nan 0.000 0.441 229 P HA 0.314 nan 4.420 nan 0.000 0.275 229 P C -0.985 175.963 177.300 -0.587 0.000 1.227 229 P CA -0.392 62.009 63.100 -1.165 0.000 0.781 229 P CB 0.794 31.634 31.700 -1.433 0.000 0.906 230 V N 5.101 124.727 119.914 -0.479 0.000 2.327 230 V HA 0.249 4.361 4.120 -0.013 0.000 0.272 230 V C -2.076 173.871 176.094 -0.246 0.000 1.019 230 V CA -1.899 60.223 62.300 -0.297 0.000 0.814 230 V CB 1.251 32.947 31.823 -0.212 0.000 1.040 230 V HN 0.539 nan 8.190 nan 0.000 0.440 231 P HA 0.250 nan 4.420 nan 0.000 0.280 231 P C 0.440 177.679 177.300 -0.103 0.000 1.244 231 P CA 0.404 63.406 63.100 -0.165 0.000 0.784 231 P CB 1.646 33.248 31.700 -0.164 0.000 0.913 232 G N 2.260 111.016 108.800 -0.072 0.000 2.616 232 G HA2 0.124 4.077 3.960 -0.013 0.000 0.268 232 G HA3 0.124 4.077 3.960 -0.013 0.000 0.268 232 G C -1.177 173.727 174.900 0.008 0.000 1.213 232 G CA -0.441 44.646 45.100 -0.022 0.000 0.926 232 G HN 0.495 nan 8.290 nan 0.000 0.523 233 Y N 0.296 120.551 120.300 -0.076 0.000 2.585 233 Y HA 0.342 4.884 4.550 -0.014 0.000 0.354 233 Y C 1.182 177.040 175.900 -0.071 0.000 1.024 233 Y CA -0.515 57.537 58.100 -0.080 0.000 1.321 233 Y CB 0.026 38.438 38.460 -0.080 0.000 1.151 233 Y HN 0.696 nan 8.280 nan 0.000 0.525 234 R N 2.766 122.928 120.500 -0.562 0.000 3.627 234 R HA -0.311 4.021 4.340 -0.013 0.000 0.281 234 R C 0.035 176.179 176.300 -0.262 0.000 1.140 234 R CA 1.465 57.265 56.100 -0.500 0.000 0.761 234 R CB -1.916 27.905 30.300 -0.799 0.000 1.181 234 R HN 0.952 nan 8.270 nan 0.000 0.472 235 N N -1.567 117.036 118.700 -0.163 0.000 2.159 235 N HA 0.084 4.816 4.740 -0.013 0.000 0.217 235 N C -0.185 175.272 175.510 -0.089 0.000 1.223 235 N CA -0.324 52.665 53.050 -0.101 0.000 0.896 235 N CB 0.561 39.013 38.487 -0.059 0.000 1.064 235 N HN 0.098 nan 8.380 nan 0.000 0.518 236 N N -0.223 118.421 118.700 -0.095 0.000 2.850 236 N HA -0.124 4.608 4.740 -0.013 0.000 0.249 236 N C -1.085 174.378 175.510 -0.079 0.000 1.060 236 N CA 0.514 53.518 53.050 -0.078 0.000 0.825 236 N CB -1.264 37.180 38.487 -0.072 0.000 1.132 236 N HN 0.171 nan 8.380 nan 0.000 0.564 237 V N 1.185 121.053 119.914 -0.077 0.000 2.439 237 V HA 0.519 4.631 4.120 -0.013 0.000 0.282 237 V C 0.474 176.523 176.094 -0.075 0.000 1.039 237 V CA -0.533 61.724 62.300 -0.072 0.000 0.913 237 V CB 2.216 34.017 31.823 -0.036 0.000 0.983 237 V HN -0.042 nan 8.190 nan 0.000 0.460 238 V N 5.331 125.202 119.914 -0.072 0.000 2.419 238 V HA 0.450 4.563 4.120 -0.013 0.000 0.287 238 V C -0.158 175.893 176.094 -0.071 0.000 1.017 238 V CA -0.830 61.397 62.300 -0.122 0.000 0.844 238 V CB 1.537 33.281 31.823 -0.131 0.000 1.011 238 V HN 0.838 nan 8.190 nan 0.000 0.429 239 N N 1.921 120.552 118.700 -0.116 0.000 2.476 239 N HA 0.588 5.320 4.740 -0.013 0.000 0.287 239 N C -0.069 175.401 175.510 -0.067 0.000 1.262 239 N CA -0.322 52.688 53.050 -0.068 0.000 0.980 239 N CB 1.267 39.683 38.487 -0.117 0.000 1.163 239 N HN 0.588 nan 8.380 nan 0.000 0.592 240 T N 0.731 115.272 114.554 -0.022 0.000 2.841 240 T HA 0.432 4.774 4.350 -0.013 0.000 0.283 240 T C -0.255 174.408 174.700 -0.061 0.000 1.000 240 T CA -0.514 61.642 62.100 0.095 0.000 0.977 240 T CB 1.044 70.097 68.868 0.308 0.000 0.979 240 T HN 0.329 nan 8.240 nan 0.000 0.446 241 M N 3.754 123.282 119.600 -0.120 0.000 2.072 241 M HA 0.512 4.984 4.480 -0.013 0.000 0.331 241 M C -0.560 175.579 176.300 -0.268 0.000 1.004 241 M CA -0.744 54.396 55.300 -0.266 0.000 0.952 241 M CB 0.785 33.186 32.600 -0.332 0.000 1.511 241 M HN 0.481 nan 8.290 nan 0.000 0.422 242 R N 4.793 125.017 120.500 -0.460 0.000 2.265 242 R HA 0.538 4.870 4.340 -0.013 0.000 0.328 242 R C -1.934 174.064 176.300 -0.504 0.000 0.969 242 R CA -0.590 55.191 56.100 -0.532 0.000 0.832 242 R CB 0.866 30.665 30.300 -0.835 0.000 1.139 242 R HN 0.649 nan 8.270 nan 0.000 0.457 243 L N 5.604 126.641 121.223 -0.310 0.000 2.296 243 L HA 0.452 4.784 4.340 -0.013 0.000 0.286 243 L C -0.944 175.874 176.870 -0.087 0.000 1.023 243 L CA -0.543 54.215 54.840 -0.135 0.000 0.812 243 L CB 1.061 43.128 42.059 0.013 0.000 1.223 243 L HN 0.616 nan 8.230 nan 0.000 0.421 244 W N 2.301 123.725 121.300 0.207 0.000 2.316 244 W HA 0.586 5.238 4.660 -0.013 0.000 0.321 244 W C 0.598 177.347 176.519 0.383 0.000 1.203 244 W CA -0.219 57.277 57.345 0.252 0.000 1.214 244 W CB 1.320 30.799 29.460 0.032 0.000 1.169 244 W HN 0.409 nan 8.180 nan 0.000 0.561 245 S N 1.439 117.565 115.700 0.709 0.000 2.503 245 S HA 0.767 5.229 4.470 -0.013 0.000 0.301 245 S C -0.450 174.501 174.600 0.586 0.000 1.087 245 S CA -0.722 57.792 58.200 0.523 0.000 1.042 245 S CB 0.730 64.191 63.200 0.435 0.000 1.043 245 S HN 0.509 nan 8.310 nan 0.000 0.489 246 A N 4.272 127.270 122.820 0.296 0.000 2.363 246 A HA 0.686 4.998 4.320 -0.013 0.000 0.270 246 A C -0.154 177.530 177.584 0.166 0.000 1.121 246 A CA -0.243 51.874 52.037 0.133 0.000 0.800 246 A CB 0.416 19.259 19.000 -0.261 0.000 1.052 246 A HN 0.625 nan 8.150 nan 0.000 0.493 247 K N 0.857 121.371 120.400 0.189 0.000 2.501 247 K HA 0.590 4.902 4.320 -0.013 0.000 0.252 247 K C -0.785 175.889 176.600 0.123 0.000 0.934 247 K CA -0.421 55.957 56.287 0.151 0.000 0.797 247 K CB 2.269 34.875 32.500 0.177 0.000 1.270 247 K HN 0.860 nan 8.250 nan 0.000 0.431 248 A N 4.333 127.208 122.820 0.092 0.000 2.363 248 A HA 0.503 4.815 4.320 -0.013 0.000 0.270 248 A C -2.172 175.464 177.584 0.085 0.000 1.121 248 A CA -1.144 50.942 52.037 0.082 0.000 0.800 248 A CB -0.129 18.908 19.000 0.062 0.000 1.052 248 A HN 0.332 nan 8.150 nan 0.000 0.493 249 P HA 0.124 nan 4.420 nan 0.000 0.272 249 P C -0.052 177.296 177.300 0.080 0.000 1.230 249 P CA -0.369 62.784 63.100 0.088 0.000 0.788 249 P CB 0.667 32.431 31.700 0.107 0.000 0.949 250 N N 0.915 119.653 118.700 0.063 0.000 2.333 250 N HA -0.094 4.638 4.740 -0.013 0.000 0.178 250 N C 1.163 176.701 175.510 0.046 0.000 1.018 250 N CA 0.790 53.871 53.050 0.051 0.000 0.882 250 N CB -0.635 37.876 38.487 0.041 0.000 0.984 250 N HN 0.594 nan 8.380 nan 0.000 0.434 251 D N 1.241 121.664 120.400 0.037 0.000 1.852 251 D HA -0.184 4.448 4.640 -0.013 0.000 0.277 251 D C 1.515 177.839 176.300 0.041 0.000 1.056 251 D CA 0.557 54.557 54.000 -0.000 0.000 0.962 251 D CB -0.928 39.834 40.800 -0.064 0.000 1.390 251 D HN -0.004 nan 8.370 nan 0.000 0.518 252 F N 0.957 120.928 119.950 0.036 0.000 2.141 252 F HA -0.174 4.346 4.527 -0.013 0.000 0.300 252 F C 1.692 177.519 175.800 0.044 0.000 1.079 252 F CA 1.354 59.382 58.000 0.045 0.000 1.264 252 F CB -1.098 37.929 39.000 0.044 0.000 1.011 252 F HN 0.119 nan 8.300 nan 0.000 0.487 253 N N 0.566 119.403 118.700 0.228 0.000 3.210 253 N HA 0.099 4.831 4.740 -0.013 0.000 0.314 253 N C 0.815 176.381 175.510 0.093 0.000 1.291 253 N CA 0.173 53.304 53.050 0.135 0.000 1.202 253 N CB -0.053 38.492 38.487 0.097 0.000 1.475 253 N HN 0.119 nan 8.380 nan 0.000 0.554 254 L N -0.583 120.707 121.223 0.112 0.000 1.433 254 L HA -0.118 4.215 4.340 -0.013 0.000 0.146 254 L C 1.324 178.258 176.870 0.107 0.000 1.334 254 L CA 0.869 55.761 54.840 0.088 0.000 1.267 254 L CB -0.964 41.136 42.059 0.069 0.000 2.547 254 L HN 0.284 nan 8.230 nan 0.000 0.476 255 K N 0.355 120.794 120.400 0.065 0.000 2.366 255 K HA -0.031 4.281 4.320 -0.013 0.000 0.198 255 K C 0.482 177.128 176.600 0.076 0.000 1.044 255 K CA 1.008 57.285 56.287 -0.017 0.000 0.973 255 K CB -0.034 32.337 32.500 -0.215 0.000 0.767 255 K HN 0.155 nan 8.250 nan 0.000 0.475 256 D N 2.047 122.604 120.400 0.262 0.000 2.398 256 D HA -0.014 4.618 4.640 -0.013 0.000 0.250 256 D C -0.250 176.270 176.300 0.367 0.000 1.287 256 D CA -0.205 54.049 54.000 0.424 0.000 0.992 256 D CB -0.075 41.006 40.800 0.467 0.000 1.071 256 D HN 0.201 nan 8.370 nan 0.000 0.514 257 F N 1.487 121.482 119.950 0.075 0.000 2.373 257 F HA 0.345 4.864 4.527 -0.013 0.000 0.302 257 F C 0.532 176.362 175.800 0.051 0.000 1.247 257 F CA -1.926 56.106 58.000 0.054 0.000 1.169 257 F CB -0.248 38.771 39.000 0.031 0.000 1.309 257 F HN 0.365 nan 8.300 nan 0.000 0.537 258 N N -0.519 118.053 118.700 -0.213 0.000 3.506 258 N HA 0.064 4.796 4.740 -0.013 0.000 0.257 258 N C -1.735 173.709 175.510 -0.109 0.000 1.059 258 N CA 0.471 53.338 53.050 -0.304 0.000 0.672 258 N CB -0.917 37.242 38.487 -0.546 0.000 1.178 258 N HN 0.831 nan 8.380 nan 0.000 0.593 259 V N -1.613 118.289 119.914 -0.021 0.000 3.576 259 V HA -0.026 4.086 4.120 -0.013 0.000 0.511 259 V C 1.300 177.402 176.094 0.013 0.000 0.682 259 V CA 1.553 63.856 62.300 0.005 0.000 2.064 259 V CB -0.896 30.920 31.823 -0.012 0.000 2.487 259 V HN 0.976 nan 8.190 nan 0.000 0.511 260 G N 1.085 109.902 108.800 0.029 0.000 3.758 260 G HA2 0.678 4.630 3.960 -0.013 0.000 0.206 260 G HA3 0.678 4.630 3.960 -0.013 0.000 0.206 260 G C 0.885 175.806 174.900 0.034 0.000 0.946 260 G CA 1.234 46.349 45.100 0.026 0.000 0.885 260 G HN 2.996 nan 8.290 nan 0.000 0.392 261 G N -1.032 107.803 108.800 0.058 0.000 3.014 261 G HA2 0.268 4.221 3.960 -0.013 0.000 0.683 261 G HA3 0.268 4.221 3.960 -0.013 0.000 0.683 261 G C -0.096 174.860 174.900 0.095 0.000 1.271 261 G CA 0.190 45.335 45.100 0.075 0.000 0.843 261 G HN 1.402 nan 8.290 nan 0.000 0.612 262 Y N 3.211 123.528 120.300 0.028 0.000 2.220 262 Y HA 0.042 4.584 4.550 -0.013 0.000 0.291 262 Y C 2.501 178.417 175.900 0.027 0.000 1.129 262 Y CA 2.082 60.200 58.100 0.030 0.000 1.161 262 Y CB -0.003 38.473 38.460 0.027 0.000 0.997 262 Y HN 0.484 nan 8.280 nan 0.000 0.522 263 I N 0.621 121.119 120.570 -0.119 0.000 2.127 263 I HA -0.298 3.864 4.170 -0.013 0.000 0.241 263 I C 2.391 178.408 176.117 -0.166 0.000 1.075 263 I CA 1.479 62.668 61.300 -0.184 0.000 1.334 263 I CB -1.371 36.632 38.000 0.004 0.000 1.040 263 I HN 0.360 nan 8.210 nan 0.000 0.405 264 Q N 0.622 120.375 119.800 -0.079 0.000 2.096 264 Q HA -0.150 4.182 4.340 -0.013 0.000 0.204 264 Q C 2.354 178.310 176.000 -0.073 0.000 0.982 264 Q CA 1.973 57.744 55.803 -0.054 0.000 0.850 264 Q CB -0.346 28.381 28.738 -0.018 0.000 0.901 264 Q HN 0.550 nan 8.270 nan 0.000 0.422 265 A N -0.232 122.531 122.820 -0.095 0.000 1.908 265 A HA -0.140 4.173 4.320 -0.013 0.000 0.218 265 A C 2.385 179.900 177.584 -0.115 0.000 1.181 265 A CA 1.688 53.678 52.037 -0.079 0.000 0.627 265 A CB -0.628 18.338 19.000 -0.057 0.000 0.818 265 A HN 0.239 nan 8.150 nan 0.000 0.445 266 V N 0.087 119.866 119.914 -0.226 0.000 2.453 266 V HA -0.189 3.923 4.120 -0.013 0.000 0.247 266 V C 2.470 178.503 176.094 -0.102 0.000 1.048 266 V CA 1.658 63.842 62.300 -0.194 0.000 1.049 266 V CB -0.610 31.020 31.823 -0.322 0.000 0.672 266 V HN 0.561 nan 8.190 nan 0.000 0.457 267 L N -0.339 120.828 121.223 -0.093 0.000 2.201 267 L HA -0.113 4.219 4.340 -0.013 0.000 0.212 267 L C 1.914 178.767 176.870 -0.028 0.000 1.105 267 L CA 1.147 55.958 54.840 -0.048 0.000 0.775 267 L CB -0.600 41.435 42.059 -0.040 0.000 0.913 267 L HN 0.330 nan 8.230 nan 0.000 0.440 268 D N -0.010 120.372 120.400 -0.031 0.000 2.363 268 D HA -0.058 4.574 4.640 -0.013 0.000 0.226 268 D C 2.127 178.425 176.300 -0.004 0.000 1.020 268 D CA 0.410 54.401 54.000 -0.014 0.000 0.892 268 D CB 0.075 40.867 40.800 -0.012 0.000 0.900 268 D HN 0.206 nan 8.370 nan 0.000 0.531 269 R N 0.439 120.936 120.500 -0.005 0.000 2.120 269 R HA 0.008 4.340 4.340 -0.013 0.000 0.234 269 R C 0.425 176.734 176.300 0.015 0.000 1.123 269 R CA 0.553 56.659 56.100 0.010 0.000 0.975 269 R CB -0.072 30.235 30.300 0.011 0.000 0.866 269 R HN 0.081 nan 8.270 nan 0.000 0.446 270 N N 1.129 119.836 118.700 0.012 0.000 3.103 270 N HA -0.000 4.732 4.740 -0.013 0.000 0.305 270 N C 0.043 175.560 175.510 0.012 0.000 1.232 270 N CA 0.496 53.557 53.050 0.019 0.000 1.190 270 N CB 1.035 39.536 38.487 0.023 0.000 1.461 270 N HN 0.112 nan 8.380 nan 0.000 0.538 271 L N -0.501 120.725 121.223 0.005 0.000 3.174 271 L HA 0.213 4.545 4.340 -0.013 0.000 0.313 271 L C 1.663 178.520 176.870 -0.021 0.000 1.021 271 L CA 0.470 55.308 54.840 -0.004 0.000 1.269 271 L CB -0.249 41.808 42.059 -0.004 0.000 2.173 271 L HN 0.232 nan 8.230 nan 0.000 0.591 272 A N -0.736 122.074 122.820 -0.016 0.000 2.044 272 A HA 0.080 4.392 4.320 -0.013 0.000 0.213 272 A C 1.706 179.256 177.584 -0.056 0.000 1.169 272 A CA 0.864 52.879 52.037 -0.037 0.000 0.724 272 A CB -0.133 18.873 19.000 0.009 0.000 0.840 272 A HN 0.410 nan 8.150 nan 0.000 0.463 273 E N 0.261 120.450 120.200 -0.018 0.000 2.481 273 E HA -0.031 4.311 4.350 -0.013 0.000 0.195 273 E C 0.693 177.288 176.600 -0.008 0.000 1.047 273 E CA -0.034 56.361 56.400 -0.008 0.000 0.867 273 E CB -0.051 29.668 29.700 0.032 0.000 0.858 273 E HN 0.390 nan 8.360 nan 0.000 0.513 274 N N 0.856 119.551 118.700 -0.008 0.000 2.550 274 N HA -0.022 4.710 4.740 -0.013 0.000 0.186 274 N C 1.450 176.965 175.510 0.010 0.000 1.110 274 N CA 0.451 53.515 53.050 0.023 0.000 0.912 274 N CB 0.079 38.579 38.487 0.021 0.000 0.968 274 N HN 0.255 nan 8.380 nan 0.000 0.448 275 I N 0.028 120.548 120.570 -0.083 0.000 2.361 275 I HA -0.195 3.967 4.170 -0.013 0.000 0.251 275 I C 1.214 177.299 176.117 -0.054 0.000 1.133 275 I CA 1.046 62.261 61.300 -0.141 0.000 1.413 275 I CB -0.001 37.752 38.000 -0.412 0.000 1.073 275 I HN 0.097 nan 8.210 nan 0.000 0.424 276 S N -0.794 114.884 115.700 -0.036 0.000 2.601 276 S HA 0.202 4.664 4.470 -0.013 0.000 0.244 276 S C 1.430 176.167 174.600 0.228 0.000 1.001 276 S CA -0.614 57.645 58.200 0.099 0.000 0.984 276 S CB 0.223 63.462 63.200 0.066 0.000 0.842 276 S HN 0.219 nan 8.310 nan 0.000 0.474 277 R N 1.093 121.726 120.500 0.223 0.000 2.073 277 R HA 0.272 4.604 4.340 -0.013 0.000 0.229 277 R C 0.358 176.899 176.300 0.401 0.000 1.120 277 R CA 1.109 57.377 56.100 0.279 0.000 0.967 277 R CB -0.060 30.387 30.300 0.245 0.000 0.862 277 R HN 0.377 nan 8.270 nan 0.000 0.436 278 V N 0.528 120.641 119.914 0.331 0.000 2.888 278 V HA 0.357 4.469 4.120 -0.013 0.000 0.309 278 V C -1.482 174.560 176.094 -0.087 0.000 1.114 278 V CA -1.319 61.097 62.300 0.194 0.000 0.940 278 V CB 1.804 33.685 31.823 0.098 0.000 1.021 278 V HN 0.183 nan 8.190 nan 0.000 0.426 279 L N 6.336 127.275 121.223 -0.473 0.000 2.397 279 L HA 0.507 4.839 4.340 -0.013 0.000 0.271 279 L C -0.936 175.758 176.870 -0.294 0.000 1.148 279 L CA 0.367 54.731 54.840 -0.793 0.000 0.825 279 L CB 0.737 42.202 42.059 -0.991 0.000 1.117 279 L HN 0.689 nan 8.230 nan 0.000 0.456 280 Y N 5.985 126.197 120.300 -0.146 0.000 2.496 280 Y HA 0.238 4.780 4.550 -0.013 0.000 0.334 280 Y C -1.447 174.443 175.900 -0.017 0.000 1.080 280 Y CA -1.375 56.711 58.100 -0.023 0.000 1.355 280 Y CB 0.470 38.943 38.460 0.022 0.000 1.193 280 Y HN 0.555 nan 8.280 nan 0.000 0.523 281 P HA 0.008 nan 4.420 nan 0.000 0.249 281 P C -0.906 176.511 177.300 0.195 0.000 1.593 281 P CA 0.150 63.341 63.100 0.151 0.000 0.896 281 P CB -0.003 31.873 31.700 0.293 0.000 1.581 282 N N 1.309 120.139 118.700 0.215 0.000 2.422 282 N HA 0.155 4.887 4.740 -0.013 0.000 0.266 282 N C -0.683 174.972 175.510 0.242 0.000 1.007 282 N CA 0.048 53.248 53.050 0.250 0.000 0.941 282 N CB 1.047 39.723 38.487 0.314 0.000 1.115 282 N HN 0.099 nan 8.380 nan 0.000 0.492 283 D N 1.224 121.795 120.400 0.285 0.000 2.280 283 D HA 0.211 4.843 4.640 -0.013 0.000 0.236 283 D C -0.218 176.362 176.300 0.467 0.000 1.082 283 D CA -0.329 53.871 54.000 0.333 0.000 0.834 283 D CB 0.266 41.276 40.800 0.350 0.000 1.100 283 D HN 0.292 nan 8.370 nan 0.000 0.486 284 N N 2.974 121.869 118.700 0.326 0.000 2.725 284 N HA -0.254 4.478 4.740 -0.013 0.000 0.251 284 N C -1.370 174.366 175.510 0.377 0.000 1.031 284 N CA 0.768 53.978 53.050 0.266 0.000 0.720 284 N CB -0.810 37.754 38.487 0.129 0.000 0.930 284 N HN 0.383 nan 8.380 nan 0.000 0.543 285 F N 0.583 120.636 119.950 0.172 0.000 2.622 285 F HA 0.440 4.959 4.527 -0.013 0.000 0.318 285 F C -1.400 174.485 175.800 0.141 0.000 1.135 285 F CA -1.156 56.919 58.000 0.126 0.000 1.015 285 F CB 0.889 39.930 39.000 0.068 0.000 1.275 285 F HN -0.058 nan 8.300 nan 0.000 0.457 286 F N 5.807 125.350 119.950 -0.678 0.000 2.415 286 F HA 0.528 5.047 4.527 -0.013 0.000 0.348 286 F C -0.574 174.861 175.800 -0.609 0.000 1.119 286 F CA -0.322 57.361 58.000 -0.527 0.000 1.069 286 F CB 0.959 39.675 39.000 -0.474 0.000 1.124 286 F HN 0.520 nan 8.300 nan 0.000 0.472 287 E N 3.745 123.359 120.200 -0.977 0.000 2.145 287 E HA 0.286 4.628 4.350 -0.013 0.000 0.262 287 E C -0.091 175.766 176.600 -1.239 0.000 0.883 287 E CA -0.634 55.256 56.400 -0.849 0.000 0.748 287 E CB 1.332 30.889 29.700 -0.238 0.000 1.140 287 E HN 0.947 nan 8.360 nan 0.000 0.417 288 G N 4.623 112.623 108.800 -1.333 0.000 3.197 288 G HA2 0.003 3.955 3.960 -0.013 0.000 0.257 288 G HA3 0.003 3.955 3.960 -0.013 0.000 0.257 288 G C 0.170 175.001 174.900 -0.115 0.000 0.835 288 G CA -0.143 44.392 45.100 -0.941 0.000 2.001 288 G HN 0.135 nan 8.290 nan 0.000 0.625 289 K N 0.315 120.704 120.400 -0.019 0.000 2.098 289 K HA 0.201 4.514 4.320 -0.013 0.000 0.261 289 K C 0.982 177.726 176.600 0.240 0.000 0.987 289 K CA -0.735 55.627 56.287 0.126 0.000 0.916 289 K CB 2.097 34.670 32.500 0.123 0.000 1.039 289 K HN 0.402 nan 8.250 nan 0.000 0.455 290 E N 1.306 121.605 120.200 0.166 0.000 2.077 290 E HA -0.191 4.152 4.350 -0.013 0.000 0.193 290 E C 1.532 178.165 176.600 0.055 0.000 0.989 290 E CA 0.814 57.263 56.400 0.081 0.000 0.800 290 E CB 0.141 29.887 29.700 0.077 0.000 0.746 290 E HN 0.383 nan 8.360 nan 0.000 0.452 291 L N 1.503 122.803 121.223 0.129 0.000 2.043 291 L HA -0.203 4.129 4.340 -0.013 0.000 0.212 291 L C 2.397 179.380 176.870 0.189 0.000 1.075 291 L CA 1.668 56.607 54.840 0.165 0.000 0.752 291 L CB -0.600 41.625 42.059 0.277 0.000 0.891 291 L HN 0.046 nan 8.230 nan 0.000 0.432 292 R N -0.461 120.112 120.500 0.123 0.000 2.070 292 R HA -0.139 4.193 4.340 -0.013 0.000 0.233 292 R C 2.245 178.607 176.300 0.104 0.000 1.137 292 R CA 1.836 57.938 56.100 0.003 0.000 0.945 292 R CB -1.330 28.820 30.300 -0.250 0.000 0.845 292 R HN 0.434 nan 8.270 nan 0.000 0.430 293 L N 1.410 122.605 121.223 -0.046 0.000 2.127 293 L HA -0.134 4.198 4.340 -0.013 0.000 0.211 293 L C 1.905 178.712 176.870 -0.105 0.000 1.089 293 L CA 1.879 56.471 54.840 -0.413 0.000 0.757 293 L CB -0.318 41.139 42.059 -1.003 0.000 0.899 293 L HN 0.064 nan 8.230 nan 0.000 0.434 294 K N -1.153 119.244 120.400 -0.005 0.000 2.062 294 K HA -0.137 4.175 4.320 -0.013 0.000 0.205 294 K C 2.110 178.864 176.600 0.256 0.000 1.051 294 K CA 1.516 57.870 56.287 0.112 0.000 0.941 294 K CB -0.122 32.292 32.500 -0.145 0.000 0.719 294 K HN 0.470 nan 8.250 nan 0.000 0.440 295 Q N 0.558 120.482 119.800 0.206 0.000 2.084 295 Q HA -0.200 4.132 4.340 -0.013 0.000 0.202 295 Q C 1.878 178.073 176.000 0.325 0.000 0.978 295 Q CA 1.477 57.454 55.803 0.291 0.000 0.844 295 Q CB 0.003 28.939 28.738 0.330 0.000 0.898 295 Q HN 0.367 nan 8.270 nan 0.000 0.426 296 E N -0.337 120.012 120.200 0.248 0.000 2.110 296 E HA -0.207 4.135 4.350 -0.013 0.000 0.193 296 E C 1.673 178.389 176.600 0.193 0.000 0.988 296 E CA 0.984 57.514 56.400 0.216 0.000 0.804 296 E CB -0.081 29.727 29.700 0.179 0.000 0.745 296 E HN 0.330 nan 8.360 nan 0.000 0.458 297 Y N 0.215 120.564 120.300 0.082 0.000 2.243 297 Y HA -0.169 4.374 4.550 -0.013 0.000 0.293 297 Y C 1.915 177.852 175.900 0.063 0.000 1.124 297 Y CA 0.898 58.999 58.100 0.000 0.000 1.159 297 Y CB -0.402 38.018 38.460 -0.067 0.000 1.008 297 Y HN 0.011 nan 8.280 nan 0.000 0.527 298 F N -0.157 119.768 119.950 -0.042 0.000 2.065 298 F HA -0.267 4.252 4.527 -0.013 0.000 0.298 298 F C 2.477 178.121 175.800 -0.260 0.000 1.112 298 F CA 2.139 60.071 58.000 -0.113 0.000 1.212 298 F CB -1.085 38.006 39.000 0.152 0.000 0.975 298 F HN -0.062 nan 8.300 nan 0.000 0.476 299 V N -0.429 119.440 119.914 -0.075 0.000 2.407 299 V HA -0.214 3.898 4.120 -0.013 0.000 0.248 299 V C 2.169 178.101 176.094 -0.270 0.000 1.055 299 V CA 1.933 64.144 62.300 -0.149 0.000 1.049 299 V CB -0.370 31.572 31.823 0.199 0.000 0.662 299 V HN 0.289 nan 8.190 nan 0.000 0.455 300 V N 0.289 120.057 119.914 -0.244 0.000 2.283 300 V HA -0.145 3.967 4.120 -0.013 0.000 0.243 300 V C 2.798 178.635 176.094 -0.428 0.000 1.039 300 V CA 2.035 64.182 62.300 -0.255 0.000 1.016 300 V CB -1.095 30.640 31.823 -0.146 0.000 0.650 300 V HN 0.630 nan 8.190 nan 0.000 0.449 301 A N -0.009 122.392 122.820 -0.697 0.000 1.883 301 A HA -0.170 4.142 4.320 -0.013 0.000 0.217 301 A C 2.401 179.620 177.584 -0.609 0.000 1.186 301 A CA 2.373 53.988 52.037 -0.703 0.000 0.624 301 A CB -0.886 17.452 19.000 -1.103 0.000 0.822 301 A HN 0.579 nan 8.150 nan 0.000 0.444 302 A N -1.250 121.051 122.820 -0.866 0.000 1.873 302 A HA -0.064 4.248 4.320 -0.013 0.000 0.215 302 A C 2.315 179.396 177.584 -0.838 0.000 1.186 302 A CA 2.266 53.623 52.037 -1.133 0.000 0.616 302 A CB -1.311 16.402 19.000 -2.144 0.000 0.823 302 A HN 0.429 nan 8.150 nan 0.000 0.442 303 T N 0.406 114.579 114.554 -0.634 0.000 2.746 303 T HA -0.102 4.240 4.350 -0.013 0.000 0.267 303 T C 1.811 176.238 174.700 -0.455 0.000 1.039 303 T CA 1.472 63.334 62.100 -0.398 0.000 1.142 303 T CB -0.363 68.271 68.868 -0.389 0.000 0.866 303 T HN 0.337 nan 8.240 nan 0.000 0.444 304 L N 0.626 121.628 121.223 -0.368 0.000 2.046 304 L HA -0.140 4.192 4.340 -0.013 0.000 0.208 304 L C 2.914 179.664 176.870 -0.199 0.000 1.077 304 L CA 1.360 56.033 54.840 -0.278 0.000 0.747 304 L CB -0.466 41.470 42.059 -0.205 0.000 0.896 304 L HN 0.329 nan 8.230 nan 0.000 0.432 305 Q N -0.616 119.074 119.800 -0.183 0.000 2.124 305 Q HA -0.256 4.076 4.340 -0.013 0.000 0.202 305 Q C 1.696 177.681 176.000 -0.025 0.000 0.977 305 Q CA 1.717 57.469 55.803 -0.086 0.000 0.850 305 Q CB -0.121 28.560 28.738 -0.094 0.000 0.901 305 Q HN 0.417 nan 8.270 nan 0.000 0.429 306 D N 0.369 120.743 120.400 -0.044 0.000 2.144 306 D HA -0.067 4.566 4.640 -0.013 0.000 0.200 306 D C 1.628 177.882 176.300 -0.077 0.000 0.978 306 D CA 0.749 54.770 54.000 0.035 0.000 0.833 306 D CB 0.052 40.952 40.800 0.168 0.000 0.961 306 D HN 0.166 nan 8.370 nan 0.000 0.470 307 I N -0.022 120.384 120.570 -0.274 0.000 2.202 307 I HA -0.202 3.960 4.170 -0.013 0.000 0.242 307 I C 2.217 178.337 176.117 0.005 0.000 1.091 307 I CA 0.670 61.741 61.300 -0.382 0.000 1.368 307 I CB -0.058 37.547 38.000 -0.658 0.000 1.058 307 I HN 0.007 nan 8.210 nan 0.000 0.410 308 I N 0.384 121.015 120.570 0.101 0.000 2.226 308 I HA -0.296 3.866 4.170 -0.013 0.000 0.245 308 I C 2.770 179.048 176.117 0.269 0.000 1.100 308 I CA 1.157 62.633 61.300 0.294 0.000 1.374 308 I CB -0.355 37.770 38.000 0.209 0.000 1.057 308 I HN 0.188 nan 8.210 nan 0.000 0.413 309 R N 1.090 121.691 120.500 0.168 0.000 2.083 309 R HA -0.218 4.114 4.340 -0.013 0.000 0.237 309 R C 2.445 178.852 176.300 0.178 0.000 1.137 309 R CA 1.684 57.882 56.100 0.163 0.000 0.951 309 R CB -0.256 30.142 30.300 0.164 0.000 0.851 309 R HN 0.219 nan 8.270 nan 0.000 0.434 310 R N -0.732 119.882 120.500 0.189 0.000 2.092 310 R HA -0.146 4.186 4.340 -0.013 0.000 0.231 310 R C 2.134 178.570 176.300 0.228 0.000 1.119 310 R CA 1.604 57.839 56.100 0.225 0.000 0.970 310 R CB -0.295 30.121 30.300 0.193 0.000 0.864 310 R HN 0.270 nan 8.270 nan 0.000 0.440 311 F N 1.569 121.563 119.950 0.072 0.000 2.163 311 F HA -0.086 4.433 4.527 -0.013 0.000 0.297 311 F C 1.723 177.493 175.800 -0.051 0.000 1.094 311 F CA 1.388 59.384 58.000 -0.007 0.000 1.290 311 F CB -0.032 38.994 39.000 0.043 0.000 1.017 311 F HN -0.198 nan 8.300 nan 0.000 0.483 312 K N -0.008 120.329 120.400 -0.105 0.000 2.211 312 K HA -0.127 4.185 4.320 -0.013 0.000 0.204 312 K C 2.175 178.690 176.600 -0.141 0.000 1.047 312 K CA 1.448 57.606 56.287 -0.216 0.000 0.935 312 K CB -0.265 32.234 32.500 -0.001 0.000 0.728 312 K HN 0.278 nan 8.250 nan 0.000 0.452 313 S N 0.190 115.875 115.700 -0.025 0.000 2.315 313 S HA -0.051 4.411 4.470 -0.013 0.000 0.211 313 S C 1.330 175.965 174.600 0.057 0.000 1.029 313 S CA 0.366 58.588 58.200 0.037 0.000 0.956 313 S CB -0.086 63.176 63.200 0.103 0.000 0.918 313 S HN 0.270 nan 8.310 nan 0.000 0.470 314 S N 0.733 116.499 115.700 0.111 0.000 4.134 314 S HA -0.298 4.165 4.470 -0.013 0.000 0.538 314 S C 1.039 175.737 174.600 0.162 0.000 1.224 314 S CA 2.134 60.438 58.200 0.174 0.000 3.613 314 S CB -0.607 62.710 63.200 0.194 0.000 2.065 314 S HN 0.478 nan 8.310 nan 0.000 0.493 315 K N -0.592 119.930 120.400 0.203 0.000 2.483 315 K HA 0.436 4.748 4.320 -0.013 0.000 0.206 315 K C 0.894 177.420 176.600 -0.123 0.000 1.086 315 K CA 0.018 56.311 56.287 0.010 0.000 1.052 315 K CB 0.235 32.692 32.500 -0.071 0.000 0.904 315 K HN 0.330 nan 8.250 nan 0.000 0.557 316 F N -0.779 119.066 119.950 -0.175 0.000 2.446 316 F HA 0.234 4.753 4.527 -0.013 0.000 0.292 316 F C 1.795 177.490 175.800 -0.175 0.000 1.096 316 F CA 0.186 58.056 58.000 -0.216 0.000 1.438 316 F CB -0.057 38.693 39.000 -0.416 0.000 1.107 316 F HN -0.009 nan 8.300 nan 0.000 0.546 317 G N -1.616 107.211 108.800 0.045 0.000 3.452 317 G HA2 0.254 4.206 3.960 -0.013 0.000 0.258 317 G HA3 0.254 4.206 3.960 -0.013 0.000 0.258 317 G C 0.341 175.241 174.900 0.000 0.000 1.305 317 G CA 0.401 45.503 45.100 0.004 0.000 1.514 317 G HN 0.437 nan 8.290 nan 0.000 0.593 318 C N -1.404 117.887 119.300 -0.015 0.000 3.692 318 C HA 0.346 4.798 4.460 -0.013 0.000 0.448 318 C C 1.269 176.234 174.990 -0.042 0.000 1.278 318 C CA 0.769 59.771 59.018 -0.026 0.000 2.229 318 C CB 0.476 28.198 27.740 -0.029 0.000 2.815 318 C HN 0.597 nan 8.230 nan 0.000 0.440 319 R N 1.029 121.484 120.500 -0.075 0.000 3.039 319 R HA 0.373 4.705 4.340 -0.013 0.000 0.092 319 R C -0.320 175.889 176.300 -0.153 0.000 0.608 319 R CA 0.999 57.045 56.100 -0.090 0.000 0.426 319 R CB -1.018 29.234 30.300 -0.080 0.000 0.385 319 R HN 0.275 nan 8.270 nan 0.000 0.326 320 D N -0.300 119.976 120.400 -0.207 0.000 3.455 320 D HA -0.137 4.495 4.640 -0.013 0.000 0.216 320 D C -1.592 174.613 176.300 -0.159 0.000 1.510 320 D CA 1.495 55.317 54.000 -0.296 0.000 1.128 320 D CB -1.291 39.114 40.800 -0.660 0.000 0.680 320 D HN 0.412 nan 8.370 nan 0.000 0.828 321 P HA 0.045 nan 4.420 nan 0.000 0.222 321 P C 0.384 177.674 177.300 -0.016 0.000 1.147 321 P CA 0.920 63.997 63.100 -0.038 0.000 0.790 321 P CB 0.251 31.957 31.700 0.010 0.000 0.780 322 V N -0.583 119.322 119.914 -0.016 0.000 3.559 322 V HA -0.203 3.909 4.120 -0.013 0.000 0.476 322 V C -0.318 175.792 176.094 0.027 0.000 0.682 322 V CA 1.117 63.418 62.300 0.001 0.000 1.988 322 V CB -1.274 30.543 31.823 -0.009 0.000 2.423 322 V HN 0.572 nan 8.190 nan 0.000 0.500 323 R N 2.847 123.373 120.500 0.042 0.000 7.363 323 R HA 0.038 4.370 4.340 -0.013 0.000 0.261 323 R C -0.010 176.332 176.300 0.071 0.000 0.794 323 R CA 0.484 56.618 56.100 0.057 0.000 1.826 323 R CB -0.160 30.177 30.300 0.062 0.000 1.258 323 R HN 0.770 nan 8.270 nan 0.000 0.877 324 T N 2.893 117.483 114.554 0.060 0.000 3.354 324 T HA -0.021 4.321 4.350 -0.013 0.000 0.222 324 T C 0.229 174.963 174.700 0.056 0.000 0.997 324 T CA 0.323 62.429 62.100 0.010 0.000 1.742 324 T CB -0.818 68.087 68.868 0.061 0.000 1.109 324 T HN 0.349 nan 8.240 nan 0.000 0.657 325 N N 1.345 120.090 118.700 0.074 0.000 2.420 325 N HA 0.276 5.008 4.740 -0.013 0.000 0.249 325 N C 0.139 175.722 175.510 0.122 0.000 1.033 325 N CA -0.504 52.637 53.050 0.153 0.000 0.944 325 N CB 0.399 38.992 38.487 0.177 0.000 1.113 325 N HN 0.376 nan 8.380 nan 0.000 0.502 326 F N 0.691 120.735 119.950 0.157 0.000 2.795 326 F HA 0.034 4.553 4.527 -0.013 0.000 0.303 326 F C 1.524 177.379 175.800 0.092 0.000 1.186 326 F CA 0.174 58.239 58.000 0.109 0.000 1.415 326 F CB 0.153 39.098 39.000 -0.091 0.000 1.106 326 F HN 0.560 nan 8.300 nan 0.000 0.558 327 D N 0.121 120.661 120.400 0.235 0.000 2.219 327 D HA -0.102 4.530 4.640 -0.013 0.000 0.205 327 D C 2.105 178.513 176.300 0.179 0.000 0.970 327 D CA 1.093 55.201 54.000 0.180 0.000 0.851 327 D CB 0.174 41.069 40.800 0.158 0.000 0.943 327 D HN 0.335 nan 8.370 nan 0.000 0.488 328 A N -0.098 122.866 122.820 0.240 0.000 2.308 328 A HA 0.054 4.366 4.320 -0.013 0.000 0.217 328 A C 1.558 179.196 177.584 0.089 0.000 1.216 328 A CA -0.348 51.841 52.037 0.253 0.000 0.864 328 A CB -0.412 18.902 19.000 0.524 0.000 0.902 328 A HN 0.070 nan 8.150 nan 0.000 0.499 329 F N 2.202 121.982 119.950 -0.283 0.000 2.065 329 F HA -0.129 4.391 4.527 -0.013 0.000 0.298 329 F C -0.840 174.753 175.800 -0.344 0.000 1.112 329 F CA 2.376 59.946 58.000 -0.717 0.000 1.212 329 F CB -0.917 37.757 39.000 -0.543 0.000 0.975 329 F HN 0.188 nan 8.300 nan 0.000 0.476 330 P HA -0.102 nan 4.420 nan 0.000 0.225 330 P C 0.795 178.022 177.300 -0.122 0.000 1.148 330 P CA 1.596 64.622 63.100 -0.124 0.000 0.779 330 P CB -0.075 31.604 31.700 -0.036 0.000 0.780 331 D N -1.124 119.235 120.400 -0.068 0.000 2.323 331 D HA -0.016 4.616 4.640 -0.013 0.000 0.209 331 D C 1.563 177.852 176.300 -0.018 0.000 0.973 331 D CA 0.832 54.828 54.000 -0.007 0.000 0.874 331 D CB 0.107 40.953 40.800 0.075 0.000 0.930 331 D HN 0.122 nan 8.370 nan 0.000 0.521 332 K N -0.157 120.181 120.400 -0.104 0.000 2.425 332 K HA 0.215 4.527 4.320 -0.013 0.000 0.201 332 K C 0.094 176.565 176.600 -0.215 0.000 1.128 332 K CA 0.104 56.342 56.287 -0.082 0.000 1.000 332 K CB 2.116 34.657 32.500 0.068 0.000 0.961 332 K HN -0.056 nan 8.250 nan 0.000 0.555 333 V N 0.844 120.510 119.914 -0.414 0.000 2.735 333 V HA 0.710 4.822 4.120 -0.013 0.000 0.310 333 V C -1.143 174.806 176.094 -0.243 0.000 1.061 333 V CA -1.211 60.846 62.300 -0.404 0.000 0.913 333 V CB 1.924 33.178 31.823 -0.948 0.000 1.005 333 V HN 0.125 nan 8.190 nan 0.000 0.428 334 A N 4.835 127.585 122.820 -0.116 0.000 2.402 334 A HA 0.869 5.181 4.320 -0.013 0.000 0.291 334 A C -1.105 176.476 177.584 -0.006 0.000 1.051 334 A CA -0.403 51.598 52.037 -0.060 0.000 0.716 334 A CB 1.200 20.110 19.000 -0.151 0.000 1.223 334 A HN 1.219 nan 8.150 nan 0.000 0.425 335 I N 0.565 121.182 120.570 0.078 0.000 2.406 335 I HA 0.745 4.907 4.170 -0.013 0.000 0.290 335 I C -0.628 175.573 176.117 0.139 0.000 0.999 335 I CA -0.457 60.911 61.300 0.114 0.000 1.124 335 I CB 1.897 39.946 38.000 0.081 0.000 1.289 335 I HN 0.532 nan 8.210 nan 0.000 0.441 336 Q N 5.810 125.696 119.800 0.144 0.000 2.290 336 Q HA 0.534 4.866 4.340 -0.013 0.000 0.259 336 Q C -1.678 174.325 176.000 0.005 0.000 0.941 336 Q CA -0.477 55.442 55.803 0.193 0.000 0.912 336 Q CB 1.527 30.505 28.738 0.401 0.000 1.244 336 Q HN 0.766 nan 8.270 nan 0.000 0.441 337 L N 4.291 125.555 121.223 0.069 0.000 2.261 337 L HA 0.324 4.656 4.340 -0.013 0.000 0.289 337 L C -0.215 176.685 176.870 0.051 0.000 1.059 337 L CA -0.171 54.701 54.840 0.053 0.000 0.816 337 L CB 0.537 42.676 42.059 0.134 0.000 1.191 337 L HN 0.614 nan 8.230 nan 0.000 0.431 338 N N 4.096 122.749 118.700 -0.080 0.000 2.605 338 N HA 0.119 4.851 4.740 -0.013 0.000 0.258 338 N C -0.075 175.482 175.510 0.078 0.000 1.156 338 N CA 0.535 53.602 53.050 0.028 0.000 1.008 338 N CB -0.265 38.167 38.487 -0.092 0.000 1.354 338 N HN 0.578 nan 8.380 nan 0.000 0.509 339 D N -0.584 119.946 120.400 0.217 0.000 3.944 339 D HA -0.216 4.416 4.640 -0.013 0.000 0.273 339 D C 0.389 176.787 176.300 0.164 0.000 2.008 339 D CA 1.547 55.663 54.000 0.192 0.000 1.187 339 D CB -0.740 39.912 40.800 -0.247 0.000 0.906 339 D HN 0.435 nan 8.370 nan 0.000 1.112 340 T N -2.486 112.064 114.554 -0.006 0.000 3.107 340 T HA 0.154 4.496 4.350 -0.013 0.000 0.249 340 T C 1.644 176.391 174.700 0.077 0.000 1.096 340 T CA 1.426 63.505 62.100 -0.034 0.000 1.012 340 T CB -0.516 68.303 68.868 -0.083 0.000 0.977 340 T HN 0.507 nan 8.240 nan 0.000 0.527 341 H N 2.646 121.794 119.070 0.129 0.000 2.353 341 H HA -0.009 4.539 4.556 -0.013 0.000 0.298 341 H C -0.886 174.524 175.328 0.137 0.000 1.103 341 H CA 1.106 57.246 56.048 0.154 0.000 1.293 341 H CB -0.849 29.006 29.762 0.156 0.000 1.372 341 H HN 0.440 nan 8.280 nan 0.000 0.501 342 P HA 0.077 nan 4.420 nan 0.000 0.254 342 P C 0.733 178.073 177.300 0.067 0.000 1.620 342 P CA 0.338 63.515 63.100 0.129 0.000 1.050 342 P CB 0.334 32.101 31.700 0.110 0.000 1.539 343 S N -0.352 115.379 115.700 0.052 0.000 2.442 343 S HA -0.099 4.363 4.470 -0.013 0.000 0.236 343 S C 1.692 176.292 174.600 -0.000 0.000 1.007 343 S CA 0.691 58.882 58.200 -0.015 0.000 0.965 343 S CB -1.406 61.756 63.200 -0.064 0.000 0.773 343 S HN 0.149 nan 8.310 nan 0.000 0.504 344 L N 0.895 122.135 121.223 0.028 0.000 2.549 344 L HA 0.070 4.402 4.340 -0.013 0.000 0.229 344 L C 2.871 179.780 176.870 0.065 0.000 1.158 344 L CA 0.583 55.444 54.840 0.035 0.000 0.842 344 L CB -0.692 41.386 42.059 0.032 0.000 0.952 344 L HN 0.480 nan 8.230 nan 0.000 0.452 345 A N 0.439 123.277 122.820 0.029 0.000 1.972 345 A HA -0.169 4.143 4.320 -0.013 0.000 0.219 345 A C 2.155 179.736 177.584 -0.004 0.000 1.169 345 A CA 1.327 53.365 52.037 0.003 0.000 0.635 345 A CB -0.365 18.625 19.000 -0.016 0.000 0.810 345 A HN 0.340 nan 8.150 nan 0.000 0.446 346 I N 0.365 120.933 120.570 -0.004 0.000 2.090 346 I HA -0.140 4.022 4.170 -0.013 0.000 0.236 346 I C -0.358 175.773 176.117 0.023 0.000 1.064 346 I CA 1.613 62.906 61.300 -0.011 0.000 1.324 346 I CB -0.848 37.149 38.000 -0.005 0.000 1.044 346 I HN 0.225 nan 8.210 nan 0.000 0.399 347 P HA -0.190 nan 4.420 nan 0.000 0.220 347 P C 1.285 178.589 177.300 0.006 0.000 1.148 347 P CA 1.547 64.678 63.100 0.052 0.000 0.803 347 P CB -0.001 31.753 31.700 0.091 0.000 0.782 348 E N 0.138 120.410 120.200 0.121 0.000 2.106 348 E HA -0.148 4.194 4.350 -0.013 0.000 0.192 348 E C 1.887 178.462 176.600 -0.041 0.000 0.984 348 E CA 0.625 57.108 56.400 0.138 0.000 0.806 348 E CB -1.153 28.698 29.700 0.252 0.000 0.750 348 E HN 0.000 nan 8.360 nan 0.000 0.458 349 L N -0.057 121.117 121.223 -0.082 0.000 2.141 349 L HA -0.035 4.297 4.340 -0.013 0.000 0.209 349 L C 1.964 178.686 176.870 -0.247 0.000 1.094 349 L CA 1.637 56.373 54.840 -0.173 0.000 0.763 349 L CB -0.489 41.475 42.059 -0.157 0.000 0.908 349 L HN 0.240 nan 8.230 nan 0.000 0.437 350 M N -0.858 118.610 119.600 -0.221 0.000 2.156 350 M HA -0.151 4.322 4.480 -0.013 0.000 0.264 350 M C 2.396 178.510 176.300 -0.310 0.000 1.067 350 M CA 1.372 56.484 55.300 -0.313 0.000 1.131 350 M CB -1.082 31.319 32.600 -0.333 0.000 1.368 350 M HN 0.310 nan 8.290 nan 0.000 0.416 351 R N 0.055 120.398 120.500 -0.262 0.000 2.096 351 R HA -0.149 4.183 4.340 -0.013 0.000 0.240 351 R C 2.050 178.229 176.300 -0.202 0.000 1.139 351 R CA 1.773 57.721 56.100 -0.254 0.000 0.952 351 R CB -0.242 29.850 30.300 -0.347 0.000 0.854 351 R HN 0.189 nan 8.270 nan 0.000 0.436 352 V N 1.392 121.187 119.914 -0.198 0.000 2.261 352 V HA -0.259 3.853 4.120 -0.013 0.000 0.246 352 V C 2.449 178.372 176.094 -0.285 0.000 1.047 352 V CA 1.824 64.003 62.300 -0.201 0.000 1.015 352 V CB -0.423 31.279 31.823 -0.202 0.000 0.642 352 V HN 0.350 nan 8.190 nan 0.000 0.446 353 L N -0.664 120.324 121.223 -0.391 0.000 2.012 353 L HA -0.169 4.164 4.340 -0.013 0.000 0.210 353 L C 2.416 179.095 176.870 -0.318 0.000 1.073 353 L CA 1.310 55.859 54.840 -0.484 0.000 0.748 353 L CB -0.649 41.090 42.059 -0.533 0.000 0.891 353 L HN 0.208 nan 8.230 nan 0.000 0.431 354 V N -0.483 119.277 119.914 -0.258 0.000 2.273 354 V HA -0.204 3.909 4.120 -0.013 0.000 0.242 354 V C 2.077 178.116 176.094 -0.091 0.000 1.035 354 V CA 1.759 63.967 62.300 -0.153 0.000 1.013 354 V CB -0.342 31.399 31.823 -0.136 0.000 0.652 354 V HN 0.360 nan 8.190 nan 0.000 0.452 355 D N 0.106 120.448 120.400 -0.096 0.000 2.097 355 D HA -0.081 4.551 4.640 -0.013 0.000 0.197 355 D C 2.081 178.347 176.300 -0.056 0.000 0.984 355 D CA 1.392 55.356 54.000 -0.061 0.000 0.826 355 D CB -0.130 40.630 40.800 -0.068 0.000 0.973 355 D HN 0.312 nan 8.370 nan 0.000 0.460 356 L N 0.327 121.501 121.223 -0.081 0.000 2.200 356 L HA 0.060 4.392 4.340 -0.013 0.000 0.200 356 L C 1.972 178.803 176.870 -0.064 0.000 1.072 356 L CA 0.666 55.468 54.840 -0.063 0.000 0.787 356 L CB -0.189 41.833 42.059 -0.062 0.000 0.957 356 L HN -0.130 nan 8.230 nan 0.000 0.459 357 E N 0.628 120.754 120.200 -0.123 0.000 2.442 357 E HA 0.015 4.357 4.350 -0.013 0.000 0.195 357 E C 0.086 176.645 176.600 -0.068 0.000 1.030 357 E CA -0.028 56.306 56.400 -0.110 0.000 0.869 357 E CB 0.224 29.750 29.700 -0.289 0.000 0.857 357 E HN 0.273 nan 8.360 nan 0.000 0.505 358 R N 0.108 120.565 120.500 -0.073 0.000 3.423 358 R HA -0.189 4.143 4.340 -0.013 0.000 0.271 358 R C -0.533 175.752 176.300 -0.025 0.000 1.093 358 R CA 0.250 56.331 56.100 -0.033 0.000 0.730 358 R CB -2.508 27.792 30.300 -0.000 0.000 1.190 358 R HN 0.039 nan 8.270 nan 0.000 0.437 359 L N 1.677 122.859 121.223 -0.068 0.000 2.379 359 L HA 0.216 4.548 4.340 -0.013 0.000 0.269 359 L C 1.198 178.061 176.870 -0.012 0.000 1.084 359 L CA -0.039 54.774 54.840 -0.045 0.000 0.802 359 L CB 0.610 42.601 42.059 -0.113 0.000 1.175 359 L HN 0.136 nan 8.230 nan 0.000 0.448 360 D N 0.537 120.956 120.400 0.032 0.000 2.362 360 D HA -0.128 4.504 4.640 -0.013 0.000 0.242 360 D C 0.991 177.357 176.300 0.110 0.000 1.132 360 D CA -0.491 53.561 54.000 0.087 0.000 0.907 360 D CB 0.739 41.597 40.800 0.097 0.000 1.195 360 D HN 0.586 nan 8.370 nan 0.000 0.429 361 W N 2.287 123.593 121.300 0.009 0.000 2.289 361 W HA -0.273 4.380 4.660 -0.013 0.000 0.331 361 W C 1.245 177.810 176.519 0.076 0.000 1.283 361 W CA 2.126 59.484 57.345 0.021 0.000 1.252 361 W CB -0.372 29.080 29.460 -0.013 0.000 1.153 361 W HN 0.511 nan 8.180 nan 0.000 0.467 362 D N 0.021 120.631 120.400 0.350 0.000 2.133 362 D HA -0.219 4.413 4.640 -0.013 0.000 0.195 362 D C 2.043 178.449 176.300 0.177 0.000 0.997 362 D CA 1.513 55.684 54.000 0.285 0.000 0.840 362 D CB -0.430 40.507 40.800 0.230 0.000 0.947 362 D HN 0.116 nan 8.370 nan 0.000 0.452 363 K N 0.935 121.397 120.400 0.104 0.000 2.057 363 K HA -0.011 4.301 4.320 -0.013 0.000 0.206 363 K C 2.000 178.599 176.600 -0.002 0.000 1.050 363 K CA 0.855 57.178 56.287 0.059 0.000 0.935 363 K CB -0.236 32.294 32.500 0.050 0.000 0.715 363 K HN 0.024 nan 8.250 nan 0.000 0.439 364 A N 0.888 123.663 122.820 -0.075 0.000 1.877 364 A HA -0.192 4.120 4.320 -0.013 0.000 0.216 364 A C 2.137 179.634 177.584 -0.145 0.000 1.186 364 A CA 1.314 53.236 52.037 -0.192 0.000 0.620 364 A CB -1.090 17.713 19.000 -0.328 0.000 0.822 364 A HN 0.645 nan 8.150 nan 0.000 0.443 365 W N 0.708 121.813 121.300 -0.325 0.000 2.358 365 W HA -0.178 4.474 4.660 -0.013 0.000 0.303 365 W C 1.996 178.467 176.519 -0.081 0.000 1.208 365 W CA 1.879 59.091 57.345 -0.222 0.000 1.274 365 W CB -0.100 29.293 29.460 -0.112 0.000 1.138 365 W HN 0.608 nan 8.180 nan 0.000 0.515 366 E N 0.085 120.295 120.200 0.017 0.000 2.085 366 E HA -0.222 4.120 4.350 -0.013 0.000 0.194 366 E C 2.034 178.563 176.600 -0.119 0.000 0.994 366 E CA 1.870 58.238 56.400 -0.053 0.000 0.801 366 E CB -0.281 29.444 29.700 0.042 0.000 0.743 366 E HN 0.078 nan 8.360 nan 0.000 0.453 367 V N 0.661 120.519 119.914 -0.093 0.000 2.295 367 V HA -0.254 3.858 4.120 -0.013 0.000 0.246 367 V C 2.427 178.456 176.094 -0.107 0.000 1.049 367 V CA 2.174 64.436 62.300 -0.063 0.000 1.024 367 V CB -0.805 30.978 31.823 -0.068 0.000 0.648 367 V HN 0.363 nan 8.190 nan 0.000 0.447 368 T N 0.124 114.543 114.554 -0.225 0.000 2.652 368 T HA -0.196 4.146 4.350 -0.013 0.000 0.267 368 T C 1.954 176.461 174.700 -0.323 0.000 1.039 368 T CA 1.887 63.822 62.100 -0.275 0.000 1.153 368 T CB -0.326 68.320 68.868 -0.372 0.000 0.863 368 T HN 0.260 nan 8.240 nan 0.000 0.428 369 V N 1.225 120.810 119.914 -0.548 0.000 2.392 369 V HA -0.184 3.928 4.120 -0.013 0.000 0.249 369 V C 2.382 178.406 176.094 -0.116 0.000 1.059 369 V CA 1.669 63.707 62.300 -0.436 0.000 1.051 369 V CB -0.484 31.011 31.823 -0.546 0.000 0.658 369 V HN 0.438 nan 8.190 nan 0.000 0.455 370 K N -0.335 119.988 120.400 -0.127 0.000 2.288 370 K HA -0.101 4.211 4.320 -0.013 0.000 0.201 370 K C 2.127 178.688 176.600 -0.066 0.000 1.048 370 K CA 1.516 57.728 56.287 -0.124 0.000 0.956 370 K CB -0.127 32.299 32.500 -0.124 0.000 0.746 370 K HN 0.650 nan 8.250 nan 0.000 0.461 371 T N -2.027 112.543 114.554 0.026 0.000 3.022 371 T HA 0.106 4.448 4.350 -0.013 0.000 0.250 371 T C 0.567 175.357 174.700 0.150 0.000 1.060 371 T CA -0.359 61.781 62.100 0.067 0.000 1.013 371 T CB -0.032 68.868 68.868 0.054 0.000 0.982 371 T HN -0.003 nan 8.240 nan 0.000 0.508 372 C N 2.367 121.754 119.300 0.144 0.000 2.370 372 C HA 0.932 5.384 4.460 -0.013 0.000 0.354 372 C C 0.469 175.507 174.990 0.081 0.000 1.218 372 C CA -0.785 58.294 59.018 0.103 0.000 2.154 372 C CB 0.444 28.183 27.740 -0.002 0.000 2.391 372 C HN 0.738 nan 8.230 nan 0.000 0.540 373 A N 1.925 124.786 122.820 0.067 0.000 2.455 373 A HA 0.692 5.004 4.320 -0.013 0.000 0.300 373 A C -1.601 176.048 177.584 0.108 0.000 1.040 373 A CA -0.355 51.673 52.037 -0.016 0.000 0.697 373 A CB 0.958 19.963 19.000 0.008 0.000 1.265 373 A HN 0.885 nan 8.150 nan 0.000 0.407 374 Y N 1.391 121.630 120.300 -0.102 0.000 2.377 374 Y HA 0.697 5.240 4.550 -0.013 0.000 0.339 374 Y C -0.399 175.473 175.900 -0.047 0.000 1.011 374 Y CA -0.576 57.479 58.100 -0.076 0.000 1.093 374 Y CB 1.967 40.342 38.460 -0.141 0.000 1.201 374 Y HN 0.542 nan 8.280 nan 0.000 0.455 375 T N 7.097 121.448 114.554 -0.337 0.000 2.770 375 T HA 0.228 4.570 4.350 -0.013 0.000 0.283 375 T C -0.688 173.546 174.700 -0.776 0.000 0.988 375 T CA -0.819 61.004 62.100 -0.461 0.000 0.957 375 T CB 0.261 69.073 68.868 -0.094 0.000 0.930 375 T HN 0.673 nan 8.240 nan 0.000 0.443 376 N N 1.748 119.987 118.700 -0.768 0.000 2.479 376 N HA 0.144 4.876 4.740 -0.013 0.000 0.285 376 N C 0.145 175.528 175.510 -0.212 0.000 1.075 376 N CA -0.309 52.517 53.050 -0.374 0.000 0.967 376 N CB 0.805 39.243 38.487 -0.082 0.000 1.137 376 N HN 0.672 nan 8.380 nan 0.000 0.472 377 H N 0.791 119.870 119.070 0.015 0.000 2.986 377 H HA 0.147 4.695 4.556 -0.013 0.000 0.267 377 H C -0.094 175.123 175.328 -0.185 0.000 1.072 377 H CA 0.075 56.079 56.048 -0.074 0.000 1.202 377 H CB 1.260 30.996 29.762 -0.044 0.000 1.535 377 H HN 0.524 nan 8.280 nan 0.000 0.522 378 T N 0.150 114.707 114.554 0.006 0.000 2.840 378 T HA 0.272 4.614 4.350 -0.013 0.000 0.317 378 T C 0.377 175.080 174.700 0.004 0.000 1.401 378 T CA -0.340 61.710 62.100 -0.083 0.000 1.028 378 T CB 1.438 70.258 68.868 -0.079 0.000 1.317 378 T HN -0.053 nan 8.240 nan 0.000 0.495 379 V N 1.352 121.234 119.914 -0.054 0.000 3.477 379 V HA 0.497 4.609 4.120 -0.013 0.000 0.297 379 V C 0.921 176.970 176.094 -0.074 0.000 1.433 379 V CA -0.044 62.226 62.300 -0.051 0.000 1.052 379 V CB -0.746 31.055 31.823 -0.037 0.000 0.895 379 V HN 0.794 nan 8.190 nan 0.000 0.438 380 I N -0.264 120.250 120.570 -0.093 0.000 2.556 380 I HA 0.321 4.483 4.170 -0.013 0.000 0.284 380 I C -0.700 175.401 176.117 -0.026 0.000 1.114 380 I CA -1.670 59.597 61.300 -0.054 0.000 1.418 380 I CB 0.641 38.602 38.000 -0.064 0.000 1.394 380 I HN -0.048 nan 8.210 nan 0.000 0.552 381 P HA -0.243 nan 4.420 nan 0.000 0.216 381 P C 1.104 178.388 177.300 -0.026 0.000 1.150 381 P CA 1.581 64.668 63.100 -0.022 0.000 0.837 381 P CB -0.087 31.606 31.700 -0.012 0.000 0.786 382 E N 0.329 120.535 120.200 0.009 0.000 2.418 382 E HA -0.056 4.286 4.350 -0.013 0.000 0.197 382 E C 1.593 178.134 176.600 -0.097 0.000 1.026 382 E CA 1.059 57.440 56.400 -0.032 0.000 0.862 382 E CB -0.677 29.096 29.700 0.121 0.000 0.799 382 E HN 0.209 nan 8.360 nan 0.000 0.518 383 A N 1.036 123.847 122.820 -0.016 0.000 2.195 383 A HA 0.197 4.510 4.320 -0.013 0.000 0.210 383 A C 1.108 178.667 177.584 -0.040 0.000 1.165 383 A CA -0.295 51.751 52.037 0.015 0.000 0.806 383 A CB 0.120 19.150 19.000 0.050 0.000 0.847 383 A HN 0.141 nan 8.150 nan 0.000 0.482 384 L N 1.731 122.888 121.223 -0.111 0.000 2.360 384 L HA 0.154 4.486 4.340 -0.013 0.000 0.276 384 L C -0.060 176.474 176.870 -0.560 0.000 1.121 384 L CA 0.414 55.127 54.840 -0.211 0.000 0.845 384 L CB 0.421 42.392 42.059 -0.147 0.000 1.143 384 L HN 0.390 nan 8.230 nan 0.000 0.452 385 E N 5.000 124.771 120.200 -0.715 0.000 2.070 385 E HA 0.155 4.497 4.350 -0.013 0.000 0.282 385 E C -0.456 175.534 176.600 -1.018 0.000 1.104 385 E CA -0.145 55.398 56.400 -1.428 0.000 0.876 385 E CB 0.543 29.744 29.700 -0.833 0.000 1.055 385 E HN 0.359 nan 8.360 nan 0.000 0.401 386 R N 3.817 123.641 120.500 -1.127 0.000 2.415 386 R HA 0.200 4.533 4.340 -0.013 0.000 0.292 386 R C -1.134 175.035 176.300 -0.219 0.000 1.295 386 R CA -0.573 55.271 56.100 -0.427 0.000 1.137 386 R CB 0.786 30.955 30.300 -0.218 0.000 1.135 386 R HN 0.412 nan 8.270 nan 0.000 0.560 387 W N 4.483 125.748 121.300 -0.057 0.000 2.311 387 W HA 0.238 4.890 4.660 -0.013 0.000 0.310 387 W C -1.881 174.624 176.519 -0.023 0.000 1.274 387 W CA -2.082 55.287 57.345 0.040 0.000 1.215 387 W CB 0.671 30.125 29.460 -0.011 0.000 1.227 387 W HN 0.256 nan 8.180 nan 0.000 0.523 388 P HA -0.081 nan 4.420 nan 0.000 0.265 388 P C 0.740 178.005 177.300 -0.059 0.000 1.193 388 P CA 0.158 63.273 63.100 0.025 0.000 0.765 388 P CB 0.813 32.413 31.700 -0.167 0.000 0.823 389 V N 3.138 123.068 119.914 0.027 0.000 2.407 389 V HA -0.275 3.837 4.120 -0.013 0.000 0.248 389 V C 2.119 178.225 176.094 0.020 0.000 1.055 389 V CA 2.444 64.762 62.300 0.031 0.000 1.049 389 V CB -1.759 30.140 31.823 0.126 0.000 0.662 389 V HN 0.760 nan 8.190 nan 0.000 0.455 390 H N -1.119 118.004 119.070 0.089 0.000 2.456 390 H HA -0.118 4.431 4.556 -0.013 0.000 0.296 390 H C 2.068 177.438 175.328 0.071 0.000 1.079 390 H CA 1.701 57.797 56.048 0.079 0.000 1.322 390 H CB -0.488 29.322 29.762 0.081 0.000 1.388 390 H HN 0.365 nan 8.280 nan 0.000 0.538 391 L N -0.056 120.971 121.223 -0.328 0.000 2.044 391 L HA -0.062 4.270 4.340 -0.013 0.000 0.205 391 L C 2.363 179.158 176.870 -0.124 0.000 1.075 391 L CA 0.868 55.610 54.840 -0.163 0.000 0.747 391 L CB -0.190 41.762 42.059 -0.179 0.000 0.903 391 L HN 0.325 nan 8.230 nan 0.000 0.435 392 L N -0.526 120.605 121.223 -0.154 0.000 2.141 392 L HA -0.234 4.098 4.340 -0.013 0.000 0.209 392 L C 2.507 179.298 176.870 -0.132 0.000 1.094 392 L CA 1.084 55.809 54.840 -0.191 0.000 0.763 392 L CB -0.357 41.581 42.059 -0.200 0.000 0.908 392 L HN 0.344 nan 8.230 nan 0.000 0.437 393 E N -0.452 119.715 120.200 -0.056 0.000 2.058 393 E HA -0.220 4.122 4.350 -0.013 0.000 0.194 393 E C 1.935 178.560 176.600 0.041 0.000 0.997 393 E CA 1.910 58.313 56.400 0.005 0.000 0.801 393 E CB 0.127 29.871 29.700 0.073 0.000 0.746 393 E HN 0.389 nan 8.360 nan 0.000 0.450 394 T N 0.850 115.449 114.554 0.075 0.000 2.809 394 T HA -0.093 4.249 4.350 -0.013 0.000 0.260 394 T C 1.735 176.537 174.700 0.170 0.000 1.039 394 T CA 0.848 63.042 62.100 0.157 0.000 1.141 394 T CB -0.130 68.860 68.868 0.202 0.000 0.869 394 T HN 0.067 nan 8.240 nan 0.000 0.437 395 L N -0.006 121.214 121.223 -0.006 0.000 2.127 395 L HA 0.339 4.671 4.340 -0.013 0.000 0.203 395 L C 0.378 177.170 176.870 -0.129 0.000 1.080 395 L CA 1.545 56.253 54.840 -0.219 0.000 0.768 395 L CB 0.055 41.940 42.059 -0.290 0.000 0.924 395 L HN 0.170 nan 8.230 nan 0.000 0.444 396 L N 0.623 121.729 121.223 -0.196 0.000 2.594 396 L HA 0.293 4.625 4.340 -0.013 0.000 0.245 396 L C -1.641 175.034 176.870 -0.325 0.000 1.460 396 L CA -1.102 53.532 54.840 -0.343 0.000 0.865 396 L CB 0.794 42.470 42.059 -0.640 0.000 1.131 396 L HN -0.061 nan 8.230 nan 0.000 0.506 397 P HA -0.245 nan 4.420 nan 0.000 0.216 397 P C 1.505 178.611 177.300 -0.323 0.000 1.157 397 P CA 1.407 64.383 63.100 -0.207 0.000 0.880 397 P CB 0.326 31.981 31.700 -0.076 0.000 0.791 398 R N -0.717 119.410 120.500 -0.622 0.000 2.115 398 R HA -0.137 4.195 4.340 -0.013 0.000 0.230 398 R C 2.321 178.330 176.300 -0.484 0.000 1.111 398 R CA 1.436 57.189 56.100 -0.578 0.000 0.976 398 R CB -1.181 28.620 30.300 -0.833 0.000 0.870 398 R HN 0.239 nan 8.270 nan 0.000 0.445 399 H N -0.377 118.372 119.070 -0.534 0.000 2.423 399 H HA -0.023 4.526 4.556 -0.013 0.000 0.297 399 H C 1.721 176.873 175.328 -0.294 0.000 1.075 399 H CA 1.469 57.290 56.048 -0.378 0.000 1.342 399 H CB 0.018 29.518 29.762 -0.435 0.000 1.395 399 H HN 0.103 nan 8.280 nan 0.000 0.530 400 L N 0.452 121.551 121.223 -0.207 0.000 2.056 400 L HA -0.224 4.108 4.340 -0.013 0.000 0.207 400 L C 1.786 178.474 176.870 -0.302 0.000 1.078 400 L CA 1.608 56.260 54.840 -0.314 0.000 0.749 400 L CB -0.298 41.588 42.059 -0.288 0.000 0.901 400 L HN 0.411 nan 8.230 nan 0.000 0.433 401 Q N -0.300 119.424 119.800 -0.126 0.000 2.096 401 Q HA -0.239 4.094 4.340 -0.013 0.000 0.204 401 Q C 2.168 178.192 176.000 0.039 0.000 0.982 401 Q CA 1.689 57.507 55.803 0.024 0.000 0.850 401 Q CB -0.063 28.691 28.738 0.027 0.000 0.901 401 Q HN 0.558 nan 8.270 nan 0.000 0.422 402 I N 0.209 120.781 120.570 0.004 0.000 2.315 402 I HA -0.261 3.901 4.170 -0.013 0.000 0.248 402 I C 2.083 178.282 176.117 0.137 0.000 1.117 402 I CA 0.935 62.323 61.300 0.147 0.000 1.404 402 I CB -0.085 37.951 38.000 0.060 0.000 1.071 402 I HN 0.203 nan 8.210 nan 0.000 0.419 403 I N -0.482 120.091 120.570 0.004 0.000 2.226 403 I HA -0.319 3.843 4.170 -0.013 0.000 0.245 403 I C 2.377 178.523 176.117 0.048 0.000 1.100 403 I CA 1.418 62.710 61.300 -0.012 0.000 1.374 403 I CB -0.382 37.539 38.000 -0.131 0.000 1.057 403 I HN 0.168 nan 8.210 nan 0.000 0.413 404 Y N 0.913 121.217 120.300 0.006 0.000 2.181 404 Y HA -0.268 4.274 4.550 -0.013 0.000 0.288 404 Y C 2.601 178.464 175.900 -0.061 0.000 1.146 404 Y CA 1.601 59.691 58.100 -0.016 0.000 1.164 404 Y CB -0.744 37.699 38.460 -0.028 0.000 0.982 404 Y HN 0.233 nan 8.280 nan 0.000 0.515 405 E N 0.307 120.544 120.200 0.062 0.000 2.106 405 E HA -0.127 4.215 4.350 -0.013 0.000 0.192 405 E C 1.984 178.481 176.600 -0.173 0.000 0.984 405 E CA 1.185 57.478 56.400 -0.178 0.000 0.806 405 E CB -0.545 28.892 29.700 -0.439 0.000 0.750 405 E HN 0.483 nan 8.360 nan 0.000 0.458 406 I N 0.600 121.170 120.570 -0.000 0.000 2.202 406 I HA -0.233 3.929 4.170 -0.013 0.000 0.242 406 I C 2.261 178.367 176.117 -0.017 0.000 1.091 406 I CA 1.236 62.495 61.300 -0.069 0.000 1.368 406 I CB -0.347 37.632 38.000 -0.035 0.000 1.058 406 I HN 0.210 nan 8.210 nan 0.000 0.410 407 N N 0.745 119.491 118.700 0.076 0.000 2.069 407 N HA -0.261 4.471 4.740 -0.013 0.000 0.191 407 N C 1.874 177.463 175.510 0.132 0.000 1.031 407 N CA 1.605 54.755 53.050 0.166 0.000 0.852 407 N CB -0.105 38.501 38.487 0.199 0.000 1.018 407 N HN 0.260 nan 8.380 nan 0.000 0.423 408 Q N -0.239 119.583 119.800 0.036 0.000 2.077 408 Q HA -0.136 4.196 4.340 -0.013 0.000 0.206 408 Q C 2.052 178.027 176.000 -0.041 0.000 0.989 408 Q CA 1.659 57.446 55.803 -0.027 0.000 0.853 408 Q CB 0.013 28.691 28.738 -0.100 0.000 0.907 408 Q HN 0.425 nan 8.270 nan 0.000 0.418 409 R N -0.841 119.612 120.500 -0.079 0.000 2.092 409 R HA -0.118 4.215 4.340 -0.013 0.000 0.231 409 R C 2.161 178.478 176.300 0.030 0.000 1.119 409 R CA 1.137 57.190 56.100 -0.080 0.000 0.970 409 R CB -0.410 29.785 30.300 -0.176 0.000 0.864 409 R HN 0.261 nan 8.270 nan 0.000 0.440 410 F N 1.882 121.796 119.950 -0.060 0.000 2.113 410 F HA -0.085 4.434 4.527 -0.013 0.000 0.297 410 F C 1.973 177.792 175.800 0.031 0.000 1.103 410 F CA 1.235 59.249 58.000 0.023 0.000 1.248 410 F CB -0.308 38.738 39.000 0.076 0.000 0.999 410 F HN -0.138 nan 8.300 nan 0.000 0.475 411 L N 0.218 121.428 121.223 -0.022 0.000 2.079 411 L HA -0.283 4.050 4.340 -0.013 0.000 0.210 411 L C 2.060 178.843 176.870 -0.145 0.000 1.081 411 L CA 1.876 56.636 54.840 -0.132 0.000 0.752 411 L CB -0.916 41.143 42.059 0.001 0.000 0.896 411 L HN 0.276 nan 8.230 nan 0.000 0.433 412 N N -0.500 118.144 118.700 -0.092 0.000 2.223 412 N HA -0.192 4.541 4.740 -0.013 0.000 0.185 412 N C 1.931 177.382 175.510 -0.099 0.000 1.016 412 N CA 0.695 53.696 53.050 -0.082 0.000 0.863 412 N CB 0.010 38.458 38.487 -0.065 0.000 0.983 412 N HN 0.238 nan 8.380 nan 0.000 0.429 413 R N 0.514 120.935 120.500 -0.131 0.000 2.075 413 R HA -0.045 4.287 4.340 -0.013 0.000 0.232 413 R C 2.112 178.310 176.300 -0.170 0.000 1.126 413 R CA 0.834 56.858 56.100 -0.127 0.000 0.963 413 R CB -0.153 30.081 30.300 -0.109 0.000 0.858 413 R HN 0.037 nan 8.270 nan 0.000 0.435 414 V N 0.675 120.433 119.914 -0.261 0.000 2.261 414 V HA -0.252 3.860 4.120 -0.013 0.000 0.246 414 V C 2.372 178.456 176.094 -0.016 0.000 1.047 414 V CA 1.993 64.211 62.300 -0.136 0.000 1.015 414 V CB -0.833 30.834 31.823 -0.259 0.000 0.642 414 V HN 0.465 nan 8.190 nan 0.000 0.446 415 A N 0.168 122.953 122.820 -0.059 0.000 1.917 415 A HA -0.205 4.107 4.320 -0.013 0.000 0.219 415 A C 2.383 179.939 177.584 -0.047 0.000 1.182 415 A CA 2.413 54.432 52.037 -0.030 0.000 0.633 415 A CB -0.848 18.126 19.000 -0.044 0.000 0.819 415 A HN 0.626 nan 8.150 nan 0.000 0.448 416 A N -0.856 121.916 122.820 -0.080 0.000 2.015 416 A HA 0.283 4.595 4.320 -0.013 0.000 0.219 416 A C 2.335 179.823 177.584 -0.160 0.000 1.163 416 A CA 1.828 53.806 52.037 -0.097 0.000 0.646 416 A CB -0.611 18.337 19.000 -0.086 0.000 0.806 416 A HN 0.994 nan 8.150 nan 0.000 0.448 417 A N -1.423 121.251 122.820 -0.245 0.000 1.943 417 A HA 0.421 4.733 4.320 -0.013 0.000 0.213 417 A C 0.424 177.553 177.584 -0.758 0.000 1.181 417 A CA 0.401 52.118 52.037 -0.533 0.000 0.653 417 A CB -0.058 18.523 19.000 -0.699 0.000 0.833 417 A HN 0.402 nan 8.150 nan 0.000 0.451 418 F N 0.487 120.387 119.950 -0.083 0.000 2.449 418 F HA 0.363 4.882 4.527 -0.013 0.000 0.344 418 F C -2.744 173.016 175.800 -0.066 0.000 1.180 418 F CA -2.944 55.012 58.000 -0.074 0.000 1.209 418 F CB 0.696 39.644 39.000 -0.087 0.000 1.440 418 F HN -0.055 nan 8.300 nan 0.000 0.526 419 P HA 0.164 nan 4.420 nan 0.000 0.262 419 P C 1.011 178.328 177.300 0.028 0.000 1.199 419 P CA 1.006 64.114 63.100 0.013 0.000 0.763 419 P CB 0.760 32.450 31.700 -0.016 0.000 0.790 420 G N 2.910 111.721 108.800 0.018 0.000 2.199 420 G HA2 -0.241 3.711 3.960 -0.013 0.000 0.254 420 G HA3 -0.241 3.711 3.960 -0.013 0.000 0.254 420 G C 0.363 175.271 174.900 0.013 0.000 0.982 420 G CA -0.088 45.019 45.100 0.012 0.000 0.632 420 G HN 0.570 nan 8.290 nan 0.000 0.529 421 D N 1.082 121.500 120.400 0.030 0.000 2.545 421 D HA 0.375 5.007 4.640 -0.013 0.000 0.227 421 D C 1.613 177.901 176.300 -0.019 0.000 1.150 421 D CA 0.428 54.430 54.000 0.003 0.000 1.046 421 D CB 0.577 41.377 40.800 0.000 0.000 1.098 421 D HN 0.136 nan 8.370 nan 0.000 0.502 422 V N 2.718 122.622 119.914 -0.017 0.000 2.626 422 V HA -0.210 3.902 4.120 -0.013 0.000 0.252 422 V C 1.691 177.770 176.094 -0.024 0.000 1.067 422 V CA 1.864 64.153 62.300 -0.018 0.000 1.081 422 V CB 0.032 31.848 31.823 -0.012 0.000 0.686 422 V HN 0.367 nan 8.190 nan 0.000 0.468 423 D N -0.386 119.995 120.400 -0.032 0.000 2.149 423 D HA -0.178 4.454 4.640 -0.013 0.000 0.201 423 D C 2.323 178.593 176.300 -0.050 0.000 0.972 423 D CA 1.192 55.174 54.000 -0.031 0.000 0.835 423 D CB -0.203 40.579 40.800 -0.030 0.000 0.966 423 D HN 0.397 nan 8.370 nan 0.000 0.476 424 R N -0.327 120.118 120.500 -0.091 0.000 2.105 424 R HA -0.141 4.191 4.340 -0.013 0.000 0.239 424 R C 1.849 178.074 176.300 -0.125 0.000 1.135 424 R CA 0.881 56.888 56.100 -0.155 0.000 0.967 424 R CB -0.270 29.877 30.300 -0.255 0.000 0.861 424 R HN 0.165 nan 8.270 nan 0.000 0.442 425 L N 1.329 122.506 121.223 -0.078 0.000 1.994 425 L HA -0.178 4.154 4.340 -0.013 0.000 0.208 425 L C 2.564 179.433 176.870 -0.001 0.000 1.071 425 L CA 2.171 56.983 54.840 -0.048 0.000 0.745 425 L CB -0.770 41.272 42.059 -0.029 0.000 0.892 425 L HN 0.304 nan 8.230 nan 0.000 0.431 426 R N -1.184 119.323 120.500 0.012 0.000 2.115 426 R HA -0.071 4.261 4.340 -0.013 0.000 0.230 426 R C 2.194 178.547 176.300 0.087 0.000 1.111 426 R CA 1.063 57.194 56.100 0.051 0.000 0.976 426 R CB -0.641 29.682 30.300 0.039 0.000 0.870 426 R HN 0.164 nan 8.270 nan 0.000 0.445 427 R N 0.154 120.688 120.500 0.056 0.000 2.092 427 R HA 0.080 4.412 4.340 -0.013 0.000 0.231 427 R C 2.072 178.473 176.300 0.168 0.000 1.119 427 R CA 1.845 58.003 56.100 0.098 0.000 0.970 427 R CB -0.174 30.139 30.300 0.022 0.000 0.864 427 R HN 0.329 nan 8.270 nan 0.000 0.440 428 M N -0.031 119.588 119.600 0.031 0.000 2.514 428 M HA 0.022 4.494 4.480 -0.013 0.000 0.258 428 M C 0.886 177.365 176.300 0.299 0.000 1.119 428 M CA 0.049 55.321 55.300 -0.047 0.000 1.111 428 M CB 0.389 32.791 32.600 -0.330 0.000 1.390 428 M HN -0.074 nan 8.290 nan 0.000 0.475 429 S N 0.874 116.752 115.700 0.297 0.000 2.554 429 S HA -0.001 4.461 4.470 -0.013 0.000 0.290 429 S C 1.131 176.012 174.600 0.468 0.000 1.309 429 S CA -0.088 58.314 58.200 0.337 0.000 1.047 429 S CB 0.506 63.839 63.200 0.222 0.000 0.828 429 S HN 0.343 nan 8.310 nan 0.000 0.509 430 L N 3.700 125.140 121.223 0.362 0.000 2.418 430 L HA 0.130 4.462 4.340 -0.013 0.000 0.218 430 L C 0.181 177.165 176.870 0.190 0.000 1.125 430 L CA 0.273 55.283 54.840 0.283 0.000 0.835 430 L CB -0.310 41.856 42.059 0.179 0.000 0.953 430 L HN 0.374 nan 8.230 nan 0.000 0.454 431 V N 0.614 120.653 119.914 0.209 0.000 2.370 431 V HA 0.207 4.319 4.120 -0.013 0.000 0.279 431 V C -0.035 176.149 176.094 0.151 0.000 1.029 431 V CA -0.608 61.802 62.300 0.183 0.000 0.870 431 V CB 1.610 33.578 31.823 0.242 0.000 0.984 431 V HN 0.160 nan 8.190 nan 0.000 0.451 432 E N 3.011 123.279 120.200 0.114 0.000 2.151 432 E HA 0.446 4.788 4.350 -0.013 0.000 0.275 432 E C -0.776 175.876 176.600 0.087 0.000 0.936 432 E CA -0.578 55.877 56.400 0.092 0.000 0.777 432 E CB 2.067 31.801 29.700 0.057 0.000 1.108 432 E HN 0.628 nan 8.360 nan 0.000 0.401 433 E N 0.950 121.197 120.200 0.078 0.000 2.280 433 E HA 0.663 5.005 4.350 -0.013 0.000 0.264 433 E C 0.127 176.762 176.600 0.058 0.000 1.064 433 E CA 0.304 56.745 56.400 0.068 0.000 0.900 433 E CB 1.536 31.269 29.700 0.056 0.000 1.123 433 E HN 0.642 nan 8.360 nan 0.000 0.418 434 G N 0.033 108.866 108.800 0.054 0.000 2.291 434 G HA2 0.239 4.191 3.960 -0.013 0.000 0.249 434 G HA3 0.239 4.191 3.960 -0.013 0.000 0.249 434 G C 0.525 175.455 174.900 0.049 0.000 1.340 434 G CA 0.300 45.428 45.100 0.047 0.000 1.017 434 G HN 0.650 nan 8.290 nan 0.000 0.470 435 A N -0.845 122.002 122.820 0.045 0.000 1.883 435 A HA 0.225 4.537 4.320 -0.013 0.000 0.222 435 A C 1.837 179.457 177.584 0.059 0.000 1.339 435 A CA 4.628 56.692 52.037 0.045 0.000 0.692 435 A CB -1.291 17.735 19.000 0.044 0.000 0.845 435 A HN 2.432 nan 8.150 nan 0.000 0.467 436 V N -2.833 117.129 119.914 0.080 0.000 2.680 436 V HA 0.587 4.699 4.120 -0.013 0.000 0.309 436 V C -0.596 175.570 176.094 0.120 0.000 1.052 436 V CA -1.344 61.025 62.300 0.116 0.000 0.908 436 V CB 1.757 33.680 31.823 0.168 0.000 1.001 436 V HN 0.418 nan 8.190 nan 0.000 0.431 437 K N 4.075 124.557 120.400 0.137 0.000 2.326 437 K HA 0.530 4.842 4.320 -0.013 0.000 0.275 437 K C -0.456 176.223 176.600 0.132 0.000 1.018 437 K CA -0.289 56.077 56.287 0.131 0.000 0.962 437 K CB 1.080 33.670 32.500 0.150 0.000 0.953 437 K HN 0.724 nan 8.250 nan 0.000 0.475 438 R N 1.169 121.734 120.500 0.107 0.000 2.867 438 R HA 0.504 4.836 4.340 -0.013 0.000 0.268 438 R C -0.682 175.663 176.300 0.075 0.000 1.014 438 R CA -0.999 55.154 56.100 0.089 0.000 0.946 438 R CB 1.331 31.666 30.300 0.059 0.000 1.208 438 R HN 0.388 nan 8.270 nan 0.000 0.477 439 I N 1.932 122.541 120.570 0.065 0.000 2.362 439 I HA 0.169 4.331 4.170 -0.013 0.000 0.289 439 I C -0.371 175.738 176.117 -0.014 0.000 0.994 439 I CA -0.773 60.551 61.300 0.040 0.000 1.158 439 I CB 1.292 39.311 38.000 0.031 0.000 1.315 439 I HN 0.499 nan 8.210 nan 0.000 0.451 440 N N 7.058 125.721 118.700 -0.060 0.000 2.415 440 N HA 0.071 4.803 4.740 -0.013 0.000 0.250 440 N C 0.903 176.320 175.510 -0.154 0.000 1.127 440 N CA -0.292 52.646 53.050 -0.187 0.000 0.945 440 N CB 0.877 39.127 38.487 -0.395 0.000 1.196 440 N HN 0.377 nan 8.380 nan 0.000 0.499 441 M N 2.409 121.918 119.600 -0.153 0.000 2.213 441 M HA -0.088 4.384 4.480 -0.013 0.000 0.263 441 M C 1.944 178.105 176.300 -0.232 0.000 1.062 441 M CA 0.825 56.046 55.300 -0.131 0.000 1.105 441 M CB -1.564 30.991 32.600 -0.074 0.000 1.385 441 M HN 0.606 nan 8.290 nan 0.000 0.417 442 A N -0.818 121.861 122.820 -0.235 0.000 1.930 442 A HA -0.170 4.142 4.320 -0.013 0.000 0.217 442 A C 2.001 179.374 177.584 -0.350 0.000 1.175 442 A CA 1.439 53.300 52.037 -0.294 0.000 0.627 442 A CB -1.103 17.917 19.000 0.033 0.000 0.815 442 A HN 0.605 nan 8.150 nan 0.000 0.443 443 H N -1.098 117.769 119.070 -0.338 0.000 2.389 443 H HA -0.013 4.535 4.556 -0.013 0.000 0.299 443 H C 2.099 177.212 175.328 -0.359 0.000 1.081 443 H CA 0.886 56.692 56.048 -0.404 0.000 1.345 443 H CB -0.027 29.708 29.762 -0.046 0.000 1.393 443 H HN 0.366 nan 8.280 nan 0.000 0.520 444 L N 0.342 121.486 121.223 -0.131 0.000 2.046 444 L HA -0.229 4.103 4.340 -0.013 0.000 0.208 444 L C 2.226 178.967 176.870 -0.216 0.000 1.077 444 L CA 1.300 56.062 54.840 -0.130 0.000 0.747 444 L CB -0.377 41.628 42.059 -0.089 0.000 0.896 444 L HN 0.451 nan 8.230 nan 0.000 0.432 445 C N -0.050 119.019 119.300 -0.385 0.000 2.446 445 C HA -0.151 4.301 4.460 -0.013 0.000 0.277 445 C C 2.658 177.410 174.990 -0.397 0.000 1.275 445 C CA 0.483 59.203 59.018 -0.496 0.000 1.727 445 C CB -0.707 26.370 27.740 -1.104 0.000 2.010 445 C HN 0.505 nan 8.230 nan 0.000 0.486 446 I N 1.524 121.812 120.570 -0.470 0.000 2.226 446 I HA -0.216 3.946 4.170 -0.013 0.000 0.245 446 I C 2.732 178.694 176.117 -0.257 0.000 1.100 446 I CA 1.730 62.790 61.300 -0.400 0.000 1.374 446 I CB -0.516 37.109 38.000 -0.625 0.000 1.057 446 I HN 0.278 nan 8.210 nan 0.000 0.413 447 A N 0.453 123.103 122.820 -0.284 0.000 1.930 447 A HA -0.059 4.253 4.320 -0.013 0.000 0.217 447 A C 2.208 179.831 177.584 0.065 0.000 1.175 447 A CA 1.758 53.678 52.037 -0.196 0.000 0.627 447 A CB -1.108 17.596 19.000 -0.494 0.000 0.815 447 A HN 0.470 nan 8.150 nan 0.000 0.443 448 G N -0.951 107.833 108.800 -0.026 0.000 3.371 448 G HA2 0.422 4.374 3.960 -0.013 0.000 0.248 448 G HA3 0.422 4.374 3.960 -0.013 0.000 0.248 448 G C 0.031 174.766 174.900 -0.276 0.000 1.161 448 G CA 0.466 45.421 45.100 -0.242 0.000 0.796 448 G HN 0.344 nan 8.290 nan 0.000 0.539 449 S N -0.387 115.209 115.700 -0.173 0.000 2.542 449 S HA 0.327 4.789 4.470 -0.013 0.000 0.293 449 S C 0.623 175.173 174.600 -0.084 0.000 1.089 449 S CA -0.730 57.395 58.200 -0.125 0.000 0.961 449 S CB 1.309 64.439 63.200 -0.117 0.000 1.062 449 S HN 0.497 nan 8.310 nan 0.000 0.483 450 H N -0.220 118.811 119.070 -0.064 0.000 2.548 450 H HA 0.528 5.076 4.556 -0.013 0.000 0.265 450 H C 0.058 175.374 175.328 -0.020 0.000 0.969 450 H CA 0.198 56.235 56.048 -0.017 0.000 1.155 450 H CB 0.145 29.909 29.762 0.004 0.000 1.394 450 H HN 0.535 nan 8.280 nan 0.000 0.570 451 A N 0.970 123.502 122.820 -0.479 0.000 2.517 451 A HA 0.542 4.854 4.320 -0.013 0.000 0.297 451 A C -1.464 175.918 177.584 -0.336 0.000 1.050 451 A CA -0.569 51.233 52.037 -0.391 0.000 0.694 451 A CB 2.100 20.830 19.000 -0.450 0.000 1.277 451 A HN 0.094 nan 8.150 nan 0.000 0.400 452 V N 4.225 123.908 119.914 -0.386 0.000 2.531 452 V HA 0.571 4.683 4.120 -0.013 0.000 0.301 452 V C -0.675 175.241 176.094 -0.297 0.000 1.034 452 V CA -0.736 61.332 62.300 -0.386 0.000 0.865 452 V CB 1.807 33.242 31.823 -0.647 0.000 0.995 452 V HN 1.015 nan 8.190 nan 0.000 0.424 453 N N 3.047 121.583 118.700 -0.274 0.000 2.229 453 N HA 0.580 5.312 4.740 -0.013 0.000 0.298 453 N C -0.293 175.118 175.510 -0.166 0.000 1.114 453 N CA -0.394 52.537 53.050 -0.198 0.000 0.776 453 N CB 2.826 41.168 38.487 -0.242 0.000 1.501 453 N HN 0.641 nan 8.380 nan 0.000 0.474 454 G N -0.691 108.045 108.800 -0.107 0.000 2.502 454 G HA2 0.405 4.357 3.960 -0.013 0.000 0.305 454 G HA3 0.405 4.357 3.960 -0.013 0.000 0.305 454 G C 0.884 175.839 174.900 0.092 0.000 1.190 454 G CA -0.532 44.551 45.100 -0.028 0.000 0.933 454 G HN 0.601 nan 8.290 nan 0.000 0.503 455 V N -3.191 116.893 119.914 0.284 0.000 3.621 455 V HA 0.670 4.782 4.120 -0.013 0.000 0.285 455 V C 0.678 176.851 176.094 0.133 0.000 1.346 455 V CA 0.415 62.793 62.300 0.131 0.000 1.104 455 V CB -0.904 30.940 31.823 0.035 0.000 0.913 455 V HN 1.268 nan 8.190 nan 0.000 0.432 456 A N -0.182 122.731 122.820 0.155 0.000 2.594 456 A HA 0.624 4.936 4.320 -0.013 0.000 0.296 456 A C 0.710 178.342 177.584 0.080 0.000 1.061 456 A CA -0.181 51.923 52.037 0.112 0.000 0.689 456 A CB 1.226 20.285 19.000 0.097 0.000 1.280 456 A HN 0.004 nan 8.150 nan 0.000 0.406 457 R N 0.892 121.418 120.500 0.044 0.000 2.096 457 R HA -0.178 4.154 4.340 -0.013 0.000 0.240 457 R C 1.740 178.034 176.300 -0.011 0.000 1.139 457 R CA 2.346 58.449 56.100 0.004 0.000 0.952 457 R CB -0.229 30.069 30.300 -0.002 0.000 0.854 457 R HN 0.849 nan 8.270 nan 0.000 0.436 458 I N 0.093 120.667 120.570 0.007 0.000 2.315 458 I HA -0.272 3.890 4.170 -0.013 0.000 0.248 458 I C 2.328 178.447 176.117 0.003 0.000 1.117 458 I CA 1.902 63.197 61.300 -0.007 0.000 1.404 458 I CB -0.291 37.706 38.000 -0.005 0.000 1.071 458 I HN 0.315 nan 8.210 nan 0.000 0.419 459 H N 0.548 119.589 119.070 -0.048 0.000 2.353 459 H HA -0.125 4.423 4.556 -0.013 0.000 0.300 459 H C 2.212 177.505 175.328 -0.058 0.000 1.090 459 H CA 2.187 58.202 56.048 -0.055 0.000 1.327 459 H CB -0.324 29.412 29.762 -0.044 0.000 1.383 459 H HN 0.284 nan 8.280 nan 0.000 0.508 460 S N 0.111 115.668 115.700 -0.238 0.000 2.382 460 S HA -0.116 4.346 4.470 -0.013 0.000 0.228 460 S C 1.906 176.368 174.600 -0.230 0.000 1.027 460 S CA 1.182 59.223 58.200 -0.265 0.000 0.991 460 S CB -0.060 63.063 63.200 -0.127 0.000 0.823 460 S HN 0.484 nan 8.310 nan 0.000 0.469 461 E N 1.034 121.127 120.200 -0.178 0.000 2.072 461 E HA 0.014 4.356 4.350 -0.013 0.000 0.191 461 E C 2.016 178.495 176.600 -0.202 0.000 0.985 461 E CA 0.597 56.886 56.400 -0.185 0.000 0.801 461 E CB -0.375 29.250 29.700 -0.126 0.000 0.750 461 E HN 0.481 nan 8.360 nan 0.000 0.452 462 I N 1.007 121.474 120.570 -0.172 0.000 2.264 462 I HA -0.279 3.883 4.170 -0.013 0.000 0.248 462 I C 2.345 178.336 176.117 -0.210 0.000 1.111 462 I CA 0.771 61.977 61.300 -0.156 0.000 1.382 462 I CB -0.126 37.816 38.000 -0.098 0.000 1.060 462 I HN 0.063 nan 8.210 nan 0.000 0.418 463 L N 0.099 121.160 121.223 -0.271 0.000 2.046 463 L HA -0.243 4.089 4.340 -0.013 0.000 0.208 463 L C 2.487 179.225 176.870 -0.220 0.000 1.077 463 L CA 1.557 56.248 54.840 -0.249 0.000 0.747 463 L CB -0.594 41.384 42.059 -0.135 0.000 0.896 463 L HN 0.199 nan 8.230 nan 0.000 0.432 464 K N -0.032 120.167 120.400 -0.335 0.000 2.103 464 K HA -0.128 4.184 4.320 -0.013 0.000 0.204 464 K C 2.108 178.508 176.600 -0.334 0.000 1.052 464 K CA 1.041 56.999 56.287 -0.547 0.000 0.945 464 K CB 0.065 32.025 32.500 -0.902 0.000 0.722 464 K HN 0.244 nan 8.250 nan 0.000 0.443 465 K N -0.341 119.917 120.400 -0.237 0.000 2.186 465 K HA 0.013 4.325 4.320 -0.013 0.000 0.202 465 K C 1.383 177.924 176.600 -0.098 0.000 1.052 465 K CA 0.991 57.195 56.287 -0.139 0.000 0.965 465 K CB 0.429 32.857 32.500 -0.120 0.000 0.746 465 K HN 0.068 nan 8.250 nan 0.000 0.457 466 T N 0.483 114.965 114.554 -0.120 0.000 3.066 466 T HA 0.062 4.404 4.350 -0.013 0.000 0.176 466 T C 1.533 176.171 174.700 -0.104 0.000 0.826 466 T CA -0.356 61.684 62.100 -0.099 0.000 1.280 466 T CB -0.450 68.353 68.868 -0.108 0.000 2.214 466 T HN -0.074 nan 8.240 nan 0.000 0.399 467 I N 1.026 121.472 120.570 -0.207 0.000 2.113 467 I HA -0.201 3.961 4.170 -0.013 0.000 0.242 467 I C 0.644 176.648 176.117 -0.188 0.000 1.057 467 I CA 1.898 62.997 61.300 -0.334 0.000 1.314 467 I CB -0.138 37.446 38.000 -0.693 0.000 1.022 467 I HN 0.288 nan 8.210 nan 0.000 0.408 468 F N 0.448 120.460 119.950 0.104 0.000 2.850 468 F HA 0.282 4.801 4.527 -0.013 0.000 0.306 468 F C 1.659 177.531 175.800 0.121 0.000 1.162 468 F CA -0.577 57.558 58.000 0.225 0.000 1.327 468 F CB -0.942 38.195 39.000 0.228 0.000 0.953 468 F HN -0.050 nan 8.300 nan 0.000 0.507 469 K N 0.717 121.218 120.400 0.167 0.000 2.020 469 K HA -0.209 4.103 4.320 -0.013 0.000 0.212 469 K C 1.320 177.969 176.600 0.081 0.000 1.050 469 K CA 2.152 58.485 56.287 0.077 0.000 0.929 469 K CB -0.001 32.512 32.500 0.021 0.000 0.714 469 K HN 0.144 nan 8.250 nan 0.000 0.443 470 D N -0.126 120.287 120.400 0.021 0.000 2.123 470 D HA -0.174 4.458 4.640 -0.013 0.000 0.196 470 D C 1.829 178.033 176.300 -0.160 0.000 0.992 470 D CA 1.266 55.155 54.000 -0.186 0.000 0.833 470 D CB -0.337 40.250 40.800 -0.355 0.000 0.954 470 D HN 0.223 nan 8.370 nan 0.000 0.455 471 F N -0.275 119.751 119.950 0.127 0.000 2.186 471 F HA -0.139 4.380 4.527 -0.013 0.000 0.299 471 F C 2.312 178.273 175.800 0.268 0.000 1.090 471 F CA 0.503 58.661 58.000 0.264 0.000 1.307 471 F CB -0.601 38.627 39.000 0.380 0.000 1.019 471 F HN -0.025 nan 8.300 nan 0.000 0.489 472 Y N 1.270 121.560 120.300 -0.018 0.000 2.242 472 Y HA -0.152 4.390 4.550 -0.013 0.000 0.291 472 Y C 2.089 177.987 175.900 -0.004 0.000 1.137 472 Y CA 1.487 59.408 58.100 -0.298 0.000 1.181 472 Y CB -0.600 37.493 38.460 -0.611 0.000 0.989 472 Y HN 0.126 nan 8.280 nan 0.000 0.527 473 E N -0.120 120.010 120.200 -0.117 0.000 2.150 473 E HA -0.179 4.163 4.350 -0.013 0.000 0.193 473 E C 2.227 178.871 176.600 0.074 0.000 0.985 473 E CA 0.889 57.232 56.400 -0.095 0.000 0.814 473 E CB -0.159 29.535 29.700 -0.010 0.000 0.752 473 E HN 0.442 nan 8.360 nan 0.000 0.466 474 L N 0.832 122.146 121.223 0.152 0.000 2.023 474 L HA -0.075 4.257 4.340 -0.013 0.000 0.205 474 L C 0.146 177.094 176.870 0.130 0.000 1.073 474 L CA 1.502 56.473 54.840 0.219 0.000 0.745 474 L CB 0.130 42.327 42.059 0.231 0.000 0.900 474 L HN 0.052 nan 8.230 nan 0.000 0.435 475 E N 0.182 120.452 120.200 0.117 0.000 2.914 475 E HA 0.174 4.516 4.350 -0.013 0.000 0.246 475 E C -1.978 174.548 176.600 -0.123 0.000 1.146 475 E CA -1.477 54.877 56.400 -0.077 0.000 0.803 475 E CB 1.012 30.623 29.700 -0.149 0.000 1.409 475 E HN 0.203 nan 8.360 nan 0.000 0.392 476 P HA -0.245 nan 4.420 nan 0.000 0.219 476 P C 1.133 178.540 177.300 0.178 0.000 1.146 476 P CA 1.358 64.375 63.100 -0.139 0.000 0.808 476 P CB -0.062 31.431 31.700 -0.345 0.000 0.779 477 H N 0.045 119.224 119.070 0.181 0.000 2.491 477 H HA 0.085 4.633 4.556 -0.013 0.000 0.290 477 H C 1.537 176.952 175.328 0.145 0.000 1.050 477 H CA 0.718 56.858 56.048 0.154 0.000 1.309 477 H CB -0.565 29.257 29.762 0.101 0.000 1.392 477 H HN 0.137 nan 8.280 nan 0.000 0.554 478 K N 0.497 120.818 120.400 -0.132 0.000 2.057 478 K HA -0.007 4.305 4.320 -0.013 0.000 0.206 478 K C -0.002 176.460 176.600 -0.230 0.000 1.050 478 K CA 0.482 56.657 56.287 -0.187 0.000 0.935 478 K CB -0.034 32.203 32.500 -0.437 0.000 0.715 478 K HN 0.087 nan 8.250 nan 0.000 0.439 479 F N 2.114 122.100 119.950 0.059 0.000 2.504 479 F HA 0.085 4.604 4.527 -0.013 0.000 0.369 479 F C 0.664 176.465 175.800 0.002 0.000 1.082 479 F CA 0.200 58.226 58.000 0.043 0.000 1.216 479 F CB 0.519 39.587 39.000 0.113 0.000 1.108 479 F HN 0.003 nan 8.300 nan 0.000 0.554 480 Q N 1.732 121.561 119.800 0.048 0.000 2.882 480 Q HA 0.435 4.767 4.340 -0.013 0.000 0.315 480 Q C -1.138 174.819 176.000 -0.072 0.000 1.004 480 Q CA -1.339 54.446 55.803 -0.030 0.000 0.777 480 Q CB 2.889 31.558 28.738 -0.115 0.000 1.506 480 Q HN 0.647 nan 8.270 nan 0.000 0.489 481 N N 0.210 118.843 118.700 -0.111 0.000 2.235 481 N HA 0.274 5.007 4.740 -0.013 0.000 0.293 481 N C -1.692 173.718 175.510 -0.168 0.000 1.083 481 N CA -0.401 52.582 53.050 -0.112 0.000 0.801 481 N CB 1.472 39.917 38.487 -0.069 0.000 1.559 481 N HN 0.311 nan 8.380 nan 0.000 0.472 482 K N 2.599 122.907 120.400 -0.152 0.000 2.764 482 K HA 0.181 4.493 4.320 -0.013 0.000 0.239 482 K C -1.030 175.583 176.600 0.021 0.000 1.048 482 K CA -0.469 55.711 56.287 -0.178 0.000 1.057 482 K CB 1.228 33.413 32.500 -0.525 0.000 1.251 482 K HN 0.567 nan 8.250 nan 0.000 0.524 483 T N 2.033 116.617 114.554 0.050 0.000 2.908 483 T HA 0.039 4.381 4.350 -0.013 0.000 0.301 483 T C 0.867 175.696 174.700 0.215 0.000 1.019 483 T CA 0.407 62.586 62.100 0.132 0.000 1.152 483 T CB 0.297 69.248 68.868 0.137 0.000 0.966 483 T HN 0.354 nan 8.240 nan 0.000 0.540 484 N N 0.591 119.434 118.700 0.239 0.000 2.260 484 N HA 0.427 5.159 4.740 -0.013 0.000 0.230 484 N C 0.523 176.215 175.510 0.303 0.000 1.323 484 N CA -0.175 53.045 53.050 0.284 0.000 0.897 484 N CB 0.351 38.946 38.487 0.179 0.000 1.146 484 N HN 0.782 nan 8.380 nan 0.000 0.460 485 G N -0.892 108.086 108.800 0.297 0.000 2.550 485 G HA2 0.542 4.495 3.960 -0.013 0.000 0.293 485 G HA3 0.542 4.495 3.960 -0.013 0.000 0.293 485 G C -1.553 173.477 174.900 0.218 0.000 1.402 485 G CA -0.773 44.495 45.100 0.280 0.000 0.784 485 G HN 0.590 nan 8.290 nan 0.000 0.482 486 I N -2.460 118.226 120.570 0.194 0.000 3.042 486 I HA 0.797 4.959 4.170 -0.013 0.000 0.310 486 I C -0.114 176.159 176.117 0.260 0.000 1.117 486 I CA -1.057 60.357 61.300 0.189 0.000 1.003 486 I CB 2.404 40.416 38.000 0.018 0.000 1.228 486 I HN 0.489 nan 8.210 nan 0.000 0.443 487 T N 3.438 118.203 114.554 0.351 0.000 2.749 487 T HA 0.375 4.717 4.350 -0.013 0.000 0.295 487 T C -1.437 173.369 174.700 0.176 0.000 0.936 487 T CA -1.734 60.488 62.100 0.203 0.000 1.060 487 T CB 0.755 69.686 68.868 0.105 0.000 0.904 487 T HN 0.607 nan 8.240 nan 0.000 0.500 488 P HA -0.019 nan 4.420 nan 0.000 0.225 488 P C 1.153 178.416 177.300 -0.061 0.000 1.148 488 P CA 0.531 63.660 63.100 0.048 0.000 0.779 488 P CB 0.365 32.076 31.700 0.018 0.000 0.780 489 R N 0.333 120.745 120.500 -0.148 0.000 2.064 489 R HA -0.005 4.327 4.340 -0.013 0.000 0.228 489 R C 2.733 178.903 176.300 -0.217 0.000 1.144 489 R CA 1.594 57.559 56.100 -0.225 0.000 0.932 489 R CB -1.162 29.000 30.300 -0.230 0.000 0.833 489 R HN 0.060 nan 8.270 nan 0.000 0.429 490 R N -0.755 119.559 120.500 -0.311 0.000 2.090 490 R HA -0.101 4.231 4.340 -0.013 0.000 0.228 490 R C 1.074 177.003 176.300 -0.619 0.000 1.110 490 R CA 1.429 57.200 56.100 -0.548 0.000 0.973 490 R CB -0.161 29.642 30.300 -0.829 0.000 0.869 490 R HN 0.301 nan 8.270 nan 0.000 0.440 491 W N 0.157 121.408 121.300 -0.083 0.000 3.405 491 W HA 0.131 4.783 4.660 -0.014 0.000 0.300 491 W C 0.938 177.420 176.519 -0.062 0.000 1.286 491 W CA -0.664 56.632 57.345 -0.082 0.000 1.762 491 W CB 0.389 29.806 29.460 -0.071 0.000 1.087 491 W HN 0.240 nan 8.180 nan 0.000 0.703 492 L N -2.579 118.690 121.223 0.077 0.000 2.884 492 L HA 0.160 4.492 4.340 -0.013 0.000 0.155 492 L C 1.751 178.628 176.870 0.012 0.000 1.296 492 L CA 0.620 55.502 54.840 0.069 0.000 0.946 492 L CB -0.884 41.239 42.059 0.107 0.000 1.862 492 L HN -0.280 nan 8.230 nan 0.000 0.529 493 V N 1.448 121.347 119.914 -0.025 0.000 2.324 493 V HA -0.301 3.811 4.120 -0.013 0.000 0.250 493 V C 2.454 178.513 176.094 -0.058 0.000 1.060 493 V CA 2.645 64.918 62.300 -0.045 0.000 1.042 493 V CB -0.731 31.030 31.823 -0.102 0.000 0.650 493 V HN 0.535 nan 8.190 nan 0.000 0.450 494 L N 0.295 121.455 121.223 -0.105 0.000 2.068 494 L HA -0.151 4.182 4.340 -0.013 0.000 0.204 494 L C 2.463 179.266 176.870 -0.111 0.000 1.076 494 L CA 2.185 56.949 54.840 -0.127 0.000 0.753 494 L CB -0.202 41.731 42.059 -0.209 0.000 0.910 494 L HN 0.650 nan 8.230 nan 0.000 0.439 495 C N -1.796 117.435 119.300 -0.116 0.000 2.563 495 C HA 0.210 4.662 4.460 -0.013 0.000 0.268 495 C C 1.148 176.121 174.990 -0.030 0.000 1.365 495 C CA -0.350 58.621 59.018 -0.078 0.000 1.754 495 C CB -1.019 26.679 27.740 -0.070 0.000 1.932 495 C HN 0.566 nan 8.230 nan 0.000 0.536 496 N N 1.195 119.887 118.700 -0.013 0.000 2.733 496 N HA 0.290 5.023 4.740 -0.013 0.000 0.271 496 N C -1.866 173.652 175.510 0.014 0.000 1.720 496 N CA -1.544 51.510 53.050 0.006 0.000 0.803 496 N CB 0.863 39.361 38.487 0.019 0.000 1.208 496 N HN 0.231 nan 8.380 nan 0.000 0.498 497 P HA -0.019 nan 4.420 nan 0.000 0.218 497 P C 1.375 178.688 177.300 0.022 0.000 1.149 497 P CA 0.808 63.917 63.100 0.014 0.000 0.817 497 P CB 0.279 31.981 31.700 0.003 0.000 0.785 498 G N 0.673 109.482 108.800 0.015 0.000 2.418 498 G HA2 -0.240 3.712 3.960 -0.013 0.000 0.217 498 G HA3 -0.240 3.712 3.960 -0.013 0.000 0.217 498 G C 1.498 176.403 174.900 0.010 0.000 1.158 498 G CA 0.649 45.755 45.100 0.010 0.000 0.771 498 G HN 0.257 nan 8.290 nan 0.000 0.545 499 L N 1.194 122.425 121.223 0.013 0.000 2.109 499 L HA 0.301 4.633 4.340 -0.013 0.000 0.207 499 L C 3.022 179.921 176.870 0.050 0.000 1.086 499 L CA 1.945 56.791 54.840 0.009 0.000 0.760 499 L CB -0.669 41.397 42.059 0.011 0.000 0.910 499 L HN 0.216 nan 8.230 nan 0.000 0.437 500 A N -0.659 122.211 122.820 0.083 0.000 1.933 500 A HA -0.246 4.066 4.320 -0.013 0.000 0.218 500 A C 2.228 179.907 177.584 0.157 0.000 1.175 500 A CA 1.749 53.885 52.037 0.164 0.000 0.628 500 A CB -0.665 18.419 19.000 0.140 0.000 0.814 500 A HN 0.552 nan 8.150 nan 0.000 0.444 501 E N 0.867 121.121 120.200 0.090 0.000 2.031 501 E HA -0.180 4.162 4.350 -0.013 0.000 0.193 501 E C 1.860 178.503 176.600 0.072 0.000 0.994 501 E CA 1.721 58.166 56.400 0.074 0.000 0.800 501 E CB -0.558 29.167 29.700 0.042 0.000 0.752 501 E HN 0.732 nan 8.360 nan 0.000 0.447 502 I N -1.584 119.021 120.570 0.058 0.000 2.361 502 I HA -0.172 3.990 4.170 -0.013 0.000 0.251 502 I C 2.224 178.425 176.117 0.139 0.000 1.133 502 I CA 1.238 62.587 61.300 0.081 0.000 1.413 502 I CB -0.406 37.612 38.000 0.030 0.000 1.073 502 I HN 0.041 nan 8.210 nan 0.000 0.424 503 I N 1.969 122.600 120.570 0.102 0.000 2.202 503 I HA -0.203 3.959 4.170 -0.013 0.000 0.242 503 I C 3.005 179.089 176.117 -0.055 0.000 1.091 503 I CA 1.388 62.684 61.300 -0.007 0.000 1.368 503 I CB -0.424 37.460 38.000 -0.194 0.000 1.058 503 I HN 0.306 nan 8.210 nan 0.000 0.410 504 A N 0.189 123.067 122.820 0.097 0.000 1.972 504 A HA -0.216 4.096 4.320 -0.013 0.000 0.219 504 A C 2.148 179.766 177.584 0.056 0.000 1.169 504 A CA 1.520 53.655 52.037 0.164 0.000 0.635 504 A CB -0.548 18.576 19.000 0.207 0.000 0.810 504 A HN 0.434 nan 8.150 nan 0.000 0.446 505 E N -0.636 119.580 120.200 0.026 0.000 2.153 505 E HA -0.178 4.164 4.350 -0.013 0.000 0.194 505 E C 2.244 178.810 176.600 -0.058 0.000 0.988 505 E CA 1.091 57.490 56.400 -0.000 0.000 0.811 505 E CB -0.006 29.701 29.700 0.012 0.000 0.746 505 E HN 0.519 nan 8.360 nan 0.000 0.466 506 R N 0.070 120.477 120.500 -0.155 0.000 2.087 506 R HA 0.079 4.412 4.340 -0.013 0.000 0.216 506 R C 2.320 178.513 176.300 -0.179 0.000 1.114 506 R CA 0.858 56.774 56.100 -0.307 0.000 1.002 506 R CB -0.333 29.449 30.300 -0.862 0.000 0.903 506 R HN 0.277 nan 8.270 nan 0.000 0.445 507 I N -2.336 118.144 120.570 -0.149 0.000 3.976 507 I HA 0.445 4.607 4.170 -0.013 0.000 0.337 507 I C 0.529 176.679 176.117 0.055 0.000 1.359 507 I CA 0.113 61.388 61.300 -0.042 0.000 1.098 507 I CB 0.841 38.796 38.000 -0.075 0.000 1.027 507 I HN 0.230 nan 8.210 nan 0.000 0.394 508 G N 1.799 110.647 108.800 0.080 0.000 2.627 508 G HA2 -0.198 3.754 3.960 -0.013 0.000 0.214 508 G HA3 -0.198 3.754 3.960 -0.013 0.000 0.214 508 G C -0.046 174.993 174.900 0.232 0.000 1.331 508 G CA 0.134 45.309 45.100 0.125 0.000 0.891 508 G HN 0.387 nan 8.290 nan 0.000 0.539 509 E N -0.544 119.739 120.200 0.138 0.000 2.489 509 E HA 0.102 4.444 4.350 -0.013 0.000 0.204 509 E C 1.762 178.323 176.600 -0.065 0.000 1.006 509 E CA -0.103 56.316 56.400 0.031 0.000 0.936 509 E CB 0.352 30.060 29.700 0.013 0.000 1.002 509 E HN 0.455 nan 8.360 nan 0.000 0.488 510 E N 0.529 120.757 120.200 0.047 0.000 2.333 510 E HA -0.168 4.174 4.350 -0.013 0.000 0.198 510 E C 1.543 178.150 176.600 0.011 0.000 1.007 510 E CA 0.744 57.162 56.400 0.030 0.000 0.845 510 E CB 0.052 29.789 29.700 0.061 0.000 0.766 510 E HN 0.497 nan 8.360 nan 0.000 0.507 511 Y N -0.989 119.318 120.300 0.011 0.000 2.497 511 Y HA -0.061 4.482 4.550 -0.012 0.000 0.292 511 Y C 1.824 177.706 175.900 -0.031 0.000 1.137 511 Y CA 0.364 58.462 58.100 -0.003 0.000 1.285 511 Y CB -0.383 38.078 38.460 0.001 0.000 0.991 511 Y HN -0.090 nan 8.280 nan 0.000 0.556 512 I N 1.192 121.313 120.570 -0.748 0.000 2.454 512 I HA -0.202 3.960 4.170 -0.013 0.000 0.254 512 I C 1.568 177.457 176.117 -0.380 0.000 1.156 512 I CA 1.724 62.638 61.300 -0.644 0.000 1.433 512 I CB -1.324 36.207 38.000 -0.782 0.000 1.082 512 I HN 0.530 nan 8.210 nan 0.000 0.432 513 S N -1.634 113.947 115.700 -0.198 0.000 2.650 513 S HA 0.200 4.663 4.470 -0.013 0.000 0.240 513 S C 0.261 174.852 174.600 -0.016 0.000 1.007 513 S CA -0.426 57.728 58.200 -0.077 0.000 0.984 513 S CB 0.441 63.665 63.200 0.039 0.000 0.910 513 S HN 0.285 nan 8.310 nan 0.000 0.509 514 D N 0.946 121.345 120.400 -0.002 0.000 2.978 514 D HA 0.246 4.878 4.640 -0.013 0.000 0.268 514 D C 0.687 177.038 176.300 0.085 0.000 1.252 514 D CA -0.336 53.687 54.000 0.038 0.000 0.771 514 D CB -0.029 40.798 40.800 0.046 0.000 1.361 514 D HN 0.109 nan 8.370 nan 0.000 0.558 515 L N 0.463 121.736 121.223 0.082 0.000 2.187 515 L HA -0.141 4.191 4.340 -0.013 0.000 0.213 515 L C 1.207 178.133 176.870 0.093 0.000 1.100 515 L CA 1.206 56.123 54.840 0.128 0.000 0.765 515 L CB 0.057 42.178 42.059 0.104 0.000 0.904 515 L HN 0.314 nan 8.230 nan 0.000 0.437 516 D N -0.242 120.188 120.400 0.051 0.000 2.182 516 D HA -0.234 4.398 4.640 -0.013 0.000 0.201 516 D C 1.998 178.319 176.300 0.035 0.000 0.986 516 D CA 1.034 55.048 54.000 0.024 0.000 0.847 516 D CB -0.033 40.770 40.800 0.005 0.000 0.942 516 D HN 0.492 nan 8.370 nan 0.000 0.467 517 Q N -0.221 119.616 119.800 0.063 0.000 2.508 517 Q HA -0.117 4.215 4.340 -0.013 0.000 0.214 517 Q C 1.783 177.796 176.000 0.021 0.000 0.979 517 Q CA 0.069 55.907 55.803 0.059 0.000 0.911 517 Q CB 0.068 28.870 28.738 0.108 0.000 0.969 517 Q HN 0.182 nan 8.270 nan 0.000 0.504 518 L N 0.585 121.814 121.223 0.011 0.000 2.191 518 L HA -0.158 4.174 4.340 -0.013 0.000 0.212 518 L C 2.053 178.912 176.870 -0.019 0.000 1.103 518 L CA 1.500 56.309 54.840 -0.051 0.000 0.769 518 L CB -0.447 41.602 42.059 -0.018 0.000 0.908 518 L HN 0.138 nan 8.230 nan 0.000 0.438 519 R N -0.389 120.113 120.500 0.004 0.000 2.139 519 R HA -0.200 4.132 4.340 -0.013 0.000 0.243 519 R C 1.940 178.245 176.300 0.008 0.000 1.145 519 R CA 1.143 57.248 56.100 0.008 0.000 0.976 519 R CB -0.263 30.039 30.300 0.004 0.000 0.866 519 R HN 0.417 nan 8.270 nan 0.000 0.449 520 K N 0.539 120.944 120.400 0.007 0.000 2.442 520 K HA -0.082 4.230 4.320 -0.013 0.000 0.198 520 K C 1.822 178.467 176.600 0.074 0.000 1.044 520 K CA 0.651 56.954 56.287 0.026 0.000 0.948 520 K CB -0.016 32.504 32.500 0.033 0.000 0.762 520 K HN 0.249 nan 8.250 nan 0.000 0.472 521 L N 0.487 121.733 121.223 0.038 0.000 2.478 521 L HA -0.100 4.232 4.340 -0.013 0.000 0.223 521 L C 1.815 178.746 176.870 0.101 0.000 1.140 521 L CA 0.028 54.901 54.840 0.054 0.000 0.842 521 L CB -0.124 41.929 42.059 -0.010 0.000 0.953 521 L HN 0.140 nan 8.230 nan 0.000 0.452 522 L N 0.123 121.376 121.223 0.051 0.000 2.127 522 L HA -0.192 4.140 4.340 -0.013 0.000 0.211 522 L C 2.669 179.527 176.870 -0.021 0.000 1.089 522 L CA 1.970 56.825 54.840 0.026 0.000 0.757 522 L CB -0.821 41.240 42.059 0.004 0.000 0.899 522 L HN 0.328 nan 8.230 nan 0.000 0.434 523 S N -2.712 112.930 115.700 -0.096 0.000 2.660 523 S HA -0.060 4.402 4.470 -0.013 0.000 0.223 523 S C 1.119 175.443 174.600 -0.461 0.000 0.963 523 S CA 0.173 58.211 58.200 -0.271 0.000 0.932 523 S CB -0.507 62.478 63.200 -0.358 0.000 0.775 523 S HN 0.475 nan 8.310 nan 0.000 0.531 524 Y N -0.605 119.615 120.300 -0.133 0.000 2.557 524 Y HA 0.430 4.977 4.550 -0.004 0.000 0.247 524 Y C 1.831 177.740 175.900 0.016 0.000 1.164 524 Y CA -0.563 57.446 58.100 -0.152 0.000 1.218 524 Y CB 0.266 38.419 38.460 -0.511 0.000 1.210 524 Y HN 0.264 nan 8.280 nan 0.000 0.529 525 V N 0.459 120.447 119.914 0.122 0.000 2.867 525 V HA -0.211 3.901 4.120 -0.013 0.000 0.260 525 V C 0.829 176.987 176.094 0.106 0.000 1.099 525 V CA 2.237 64.617 62.300 0.133 0.000 1.122 525 V CB -0.028 31.838 31.823 0.072 0.000 0.708 525 V HN 0.376 nan 8.190 nan 0.000 0.490 526 D N -1.126 119.317 120.400 0.073 0.000 2.469 526 D HA 0.122 4.754 4.640 -0.013 0.000 0.213 526 D C 0.319 176.663 176.300 0.074 0.000 1.135 526 D CA -0.106 53.928 54.000 0.055 0.000 0.834 526 D CB 0.193 41.002 40.800 0.016 0.000 1.009 526 D HN 0.419 nan 8.370 nan 0.000 0.507 527 D N 1.665 122.138 120.400 0.122 0.000 2.371 527 D HA -0.045 4.587 4.640 -0.013 0.000 0.256 527 D C 1.240 177.642 176.300 0.170 0.000 1.193 527 D CA 0.115 54.209 54.000 0.156 0.000 0.881 527 D CB 1.576 42.535 40.800 0.264 0.000 1.143 527 D HN -0.232 nan 8.370 nan 0.000 0.473 528 E N 3.344 123.613 120.200 0.114 0.000 2.077 528 E HA -0.128 4.214 4.350 -0.013 0.000 0.193 528 E C 1.676 178.336 176.600 0.099 0.000 0.989 528 E CA 1.337 57.791 56.400 0.090 0.000 0.800 528 E CB -0.219 29.517 29.700 0.059 0.000 0.746 528 E HN 0.606 nan 8.360 nan 0.000 0.452 529 A N -0.290 122.603 122.820 0.122 0.000 1.898 529 A HA -0.130 4.182 4.320 -0.013 0.000 0.216 529 A C 2.184 179.859 177.584 0.152 0.000 1.181 529 A CA 1.175 53.281 52.037 0.115 0.000 0.620 529 A CB -0.838 18.231 19.000 0.115 0.000 0.819 529 A HN 0.332 nan 8.150 nan 0.000 0.442 530 F N 0.664 120.635 119.950 0.034 0.000 2.075 530 F HA -0.150 4.370 4.527 -0.011 0.000 0.297 530 F C 2.039 177.850 175.800 0.018 0.000 1.113 530 F CA 1.467 59.475 58.000 0.013 0.000 1.218 530 F CB -0.418 38.605 39.000 0.038 0.000 0.984 530 F HN 0.168 nan 8.300 nan 0.000 0.472 531 I N -0.100 120.533 120.570 0.105 0.000 2.194 531 I HA -0.381 3.781 4.170 -0.013 0.000 0.246 531 I C 2.647 178.727 176.117 -0.062 0.000 1.093 531 I CA 1.836 63.137 61.300 0.000 0.000 1.355 531 I CB -0.476 37.561 38.000 0.062 0.000 1.046 531 I HN 0.086 nan 8.210 nan 0.000 0.413 532 R N 0.726 121.210 120.500 -0.027 0.000 2.096 532 R HA -0.185 4.147 4.340 -0.013 0.000 0.235 532 R C 1.882 178.136 176.300 -0.076 0.000 1.127 532 R CA 1.808 57.887 56.100 -0.036 0.000 0.968 532 R CB -0.101 30.196 30.300 -0.006 0.000 0.861 532 R HN 0.291 nan 8.270 nan 0.000 0.440 533 D N -0.393 119.938 120.400 -0.114 0.000 2.091 533 D HA -0.114 4.518 4.640 -0.013 0.000 0.199 533 D C 1.957 178.122 176.300 -0.224 0.000 0.980 533 D CA 1.308 55.218 54.000 -0.150 0.000 0.831 533 D CB -0.322 40.390 40.800 -0.147 0.000 0.987 533 D HN 0.040 nan 8.370 nan 0.000 0.460 534 V N 1.582 121.257 119.914 -0.398 0.000 2.282 534 V HA -0.301 3.811 4.120 -0.013 0.000 0.249 534 V C 2.492 178.489 176.094 -0.162 0.000 1.057 534 V CA 2.077 64.162 62.300 -0.358 0.000 1.032 534 V CB -0.818 30.735 31.823 -0.450 0.000 0.645 534 V HN 0.209 nan 8.190 nan 0.000 0.447 535 A N -0.859 121.888 122.820 -0.121 0.000 1.969 535 A HA -0.237 4.075 4.320 -0.013 0.000 0.218 535 A C 2.352 179.901 177.584 -0.059 0.000 1.169 535 A CA 2.022 54.023 52.037 -0.060 0.000 0.635 535 A CB -0.428 18.543 19.000 -0.048 0.000 0.810 535 A HN 0.545 nan 8.150 nan 0.000 0.445 536 K N 0.162 120.520 120.400 -0.070 0.000 2.025 536 K HA -0.106 4.206 4.320 -0.013 0.000 0.207 536 K C 2.007 178.581 176.600 -0.044 0.000 1.049 536 K CA 1.714 57.970 56.287 -0.052 0.000 0.933 536 K CB -0.365 32.106 32.500 -0.048 0.000 0.714 536 K HN 0.415 nan 8.250 nan 0.000 0.438 537 V N -0.012 119.870 119.914 -0.053 0.000 2.343 537 V HA -0.201 3.911 4.120 -0.013 0.000 0.247 537 V C 2.231 178.313 176.094 -0.021 0.000 1.051 537 V CA 2.076 64.355 62.300 -0.035 0.000 1.036 537 V CB -0.720 31.077 31.823 -0.043 0.000 0.654 537 V HN 0.208 nan 8.190 nan 0.000 0.451 538 K N 0.720 121.105 120.400 -0.024 0.000 2.097 538 K HA -0.214 4.098 4.320 -0.013 0.000 0.206 538 K C 2.267 178.852 176.600 -0.025 0.000 1.049 538 K CA 2.196 58.479 56.287 -0.006 0.000 0.933 538 K CB -0.681 31.829 32.500 0.016 0.000 0.717 538 K HN 0.586 nan 8.250 nan 0.000 0.442 539 Q N 0.974 120.751 119.800 -0.038 0.000 2.079 539 Q HA -0.071 4.261 4.340 -0.013 0.000 0.200 539 Q C 1.681 177.666 176.000 -0.026 0.000 0.974 539 Q CA 1.896 57.667 55.803 -0.053 0.000 0.840 539 Q CB -0.085 28.622 28.738 -0.051 0.000 0.898 539 Q HN 0.520 nan 8.270 nan 0.000 0.430 540 E N -0.515 119.681 120.200 -0.008 0.000 2.077 540 E HA -0.150 4.192 4.350 -0.013 0.000 0.193 540 E C 1.715 178.339 176.600 0.040 0.000 0.989 540 E CA 0.962 57.371 56.400 0.014 0.000 0.800 540 E CB -0.012 29.694 29.700 0.011 0.000 0.746 540 E HN 0.375 nan 8.360 nan 0.000 0.452 541 N N 0.881 119.604 118.700 0.037 0.000 2.120 541 N HA -0.133 4.599 4.740 -0.013 0.000 0.188 541 N C 1.487 177.075 175.510 0.130 0.000 1.024 541 N CA 1.062 54.154 53.050 0.070 0.000 0.852 541 N CB -0.080 38.434 38.487 0.045 0.000 1.003 541 N HN 0.108 nan 8.380 nan 0.000 0.424 542 K N 0.541 120.986 120.400 0.076 0.000 2.057 542 K HA -0.010 4.302 4.320 -0.013 0.000 0.207 542 K C 2.092 178.806 176.600 0.191 0.000 1.049 542 K CA 0.688 57.036 56.287 0.102 0.000 0.931 542 K CB -0.187 32.142 32.500 -0.286 0.000 0.714 542 K HN 0.112 nan 8.250 nan 0.000 0.440 543 L N 1.105 122.386 121.223 0.097 0.000 2.046 543 L HA -0.182 4.150 4.340 -0.013 0.000 0.208 543 L C 2.596 179.552 176.870 0.144 0.000 1.077 543 L CA 1.176 56.078 54.840 0.103 0.000 0.747 543 L CB -0.259 41.836 42.059 0.059 0.000 0.896 543 L HN 0.112 nan 8.230 nan 0.000 0.432 544 K N -0.534 119.960 120.400 0.157 0.000 2.097 544 K HA -0.182 4.131 4.320 -0.013 0.000 0.205 544 K C 2.141 178.890 176.600 0.248 0.000 1.050 544 K CA 1.377 57.767 56.287 0.171 0.000 0.938 544 K CB -0.122 32.467 32.500 0.147 0.000 0.718 544 K HN 0.129 nan 8.250 nan 0.000 0.442 545 F N 1.332 121.371 119.950 0.149 0.000 2.163 545 F HA -0.036 4.483 4.527 -0.013 0.000 0.297 545 F C 2.098 178.031 175.800 0.222 0.000 1.094 545 F CA 1.093 59.194 58.000 0.169 0.000 1.290 545 F CB -0.519 38.577 39.000 0.161 0.000 1.017 545 F HN -0.008 nan 8.300 nan 0.000 0.483 546 A N 0.295 123.236 122.820 0.201 0.000 1.978 546 A HA -0.113 4.199 4.320 -0.013 0.000 0.220 546 A C 2.384 179.968 177.584 -0.001 0.000 1.170 546 A CA 1.946 54.026 52.037 0.071 0.000 0.636 546 A CB -1.474 17.627 19.000 0.169 0.000 0.810 546 A HN 0.481 nan 8.150 nan 0.000 0.448 547 A N -1.298 121.558 122.820 0.060 0.000 1.854 547 A HA -0.023 4.289 4.320 -0.013 0.000 0.214 547 A C 2.119 179.723 177.584 0.033 0.000 1.192 547 A CA 1.505 53.576 52.037 0.058 0.000 0.611 547 A CB -0.979 18.072 19.000 0.086 0.000 0.832 547 A HN 0.793 nan 8.150 nan 0.000 0.442 548 Y N 0.252 120.503 120.300 -0.081 0.000 2.139 548 Y HA -0.255 4.287 4.550 -0.013 0.000 0.282 548 Y C 1.903 177.722 175.900 -0.135 0.000 1.179 548 Y CA 1.868 59.913 58.100 -0.092 0.000 1.161 548 Y CB -0.443 37.973 38.460 -0.073 0.000 0.970 548 Y HN 0.193 nan 8.280 nan 0.000 0.511 549 L N 0.953 122.131 121.223 -0.076 0.000 1.990 549 L HA -0.243 4.089 4.340 -0.013 0.000 0.213 549 L C 2.410 179.234 176.870 -0.077 0.000 1.072 549 L CA 2.224 57.000 54.840 -0.107 0.000 0.755 549 L CB -1.136 40.782 42.059 -0.235 0.000 0.889 549 L HN 0.369 nan 8.230 nan 0.000 0.432 550 E N -1.597 118.565 120.200 -0.064 0.000 2.152 550 E HA -0.167 4.175 4.350 -0.013 0.000 0.192 550 E C 2.287 178.840 176.600 -0.078 0.000 0.983 550 E CA 0.466 56.851 56.400 -0.026 0.000 0.818 550 E CB 0.065 29.785 29.700 0.034 0.000 0.758 550 E HN 0.358 nan 8.360 nan 0.000 0.467 551 R N 0.693 121.111 120.500 -0.136 0.000 2.096 551 R HA -0.169 4.163 4.340 -0.013 0.000 0.229 551 R C 2.045 178.179 176.300 -0.276 0.000 1.134 551 R CA 1.724 57.717 56.100 -0.180 0.000 0.917 551 R CB -0.066 30.115 30.300 -0.198 0.000 0.832 551 R HN -0.007 nan 8.270 nan 0.000 0.430 552 E N -1.688 118.212 120.200 -0.500 0.000 2.318 552 E HA -0.064 4.278 4.350 -0.013 0.000 0.193 552 E C 0.795 176.950 176.600 -0.742 0.000 0.998 552 E CA 0.833 56.817 56.400 -0.694 0.000 0.859 552 E CB 0.389 29.439 29.700 -1.082 0.000 0.812 552 E HN 0.380 nan 8.360 nan 0.000 0.492 553 Y N -0.171 120.002 120.300 -0.210 0.000 2.423 553 Y HA 0.283 4.825 4.550 -0.013 0.000 0.257 553 Y C -0.366 175.501 175.900 -0.055 0.000 1.087 553 Y CA -0.448 57.594 58.100 -0.097 0.000 1.258 553 Y CB 0.804 39.227 38.460 -0.063 0.000 1.237 553 Y HN -0.341 nan 8.280 nan 0.000 0.517 554 K N 1.067 121.498 120.400 0.052 0.000 6.236 554 K HA -0.078 4.234 4.320 -0.013 0.000 0.607 554 K C -0.628 176.010 176.600 0.063 0.000 1.570 554 K CA 0.958 57.270 56.287 0.041 0.000 1.551 554 K CB -1.553 30.959 32.500 0.021 0.000 1.812 554 K HN 0.447 nan 8.250 nan 0.000 0.338 555 V N -2.549 117.407 119.914 0.071 0.000 5.829 555 V HA 0.009 4.121 4.120 -0.013 0.000 0.697 555 V C -0.150 176.021 176.094 0.128 0.000 1.997 555 V CA -0.070 62.285 62.300 0.092 0.000 3.668 555 V CB -1.089 30.784 31.823 0.083 0.000 0.116 555 V HN 0.983 nan 8.190 nan 0.000 0.567 556 H N 0.915 119.991 119.070 0.010 0.000 2.991 556 H HA -0.091 4.457 4.556 -0.013 0.000 0.255 556 H C -0.272 175.063 175.328 0.012 0.000 0.700 556 H CA 1.890 57.946 56.048 0.014 0.000 0.964 556 H CB 0.093 29.867 29.762 0.021 0.000 1.230 556 H HN 1.325 nan 8.280 nan 0.000 0.450 557 I N 0.163 120.385 120.570 -0.580 0.000 3.095 557 I HA 0.431 4.593 4.170 -0.013 0.000 0.310 557 I C -0.617 175.250 176.117 -0.416 0.000 1.196 557 I CA -1.302 59.807 61.300 -0.318 0.000 0.985 557 I CB 2.216 40.120 38.000 -0.160 0.000 1.250 557 I HN 0.608 nan 8.210 nan 0.000 0.446 558 N N 3.221 121.879 118.700 -0.070 0.000 2.469 558 N HA 0.506 5.238 4.740 -0.013 0.000 0.253 558 N C -2.209 173.374 175.510 0.121 0.000 0.970 558 N CA -2.542 50.522 53.050 0.023 0.000 0.940 558 N CB 1.547 40.075 38.487 0.069 0.000 1.128 558 N HN 0.335 nan 8.380 nan 0.000 0.503 559 P HA 0.036 nan 4.420 nan 0.000 0.234 559 P C -0.066 177.144 177.300 -0.150 0.000 1.167 559 P CA 0.983 64.058 63.100 -0.042 0.000 0.763 559 P CB 0.171 31.867 31.700 -0.007 0.000 0.835 560 N N -1.177 117.497 118.700 -0.044 0.000 2.392 560 N HA -0.001 4.731 4.740 -0.013 0.000 0.177 560 N C 0.564 176.074 175.510 -0.000 0.000 1.066 560 N CA -0.078 52.954 53.050 -0.031 0.000 0.895 560 N CB 0.078 38.573 38.487 0.013 0.000 0.988 560 N HN 0.139 nan 8.380 nan 0.000 0.457 561 S N 0.318 116.018 115.700 0.000 0.000 2.608 561 S HA 0.172 4.634 4.470 -0.013 0.000 0.261 561 S C 0.065 174.595 174.600 -0.115 0.000 1.314 561 S CA -0.821 57.377 58.200 -0.004 0.000 0.992 561 S CB 0.940 64.169 63.200 0.049 0.000 0.935 561 S HN 0.159 nan 8.310 nan 0.000 0.564 562 L N 1.459 122.489 121.223 -0.322 0.000 2.367 562 L HA 0.363 4.695 4.340 -0.013 0.000 0.275 562 L C -1.067 175.764 176.870 -0.065 0.000 1.129 562 L CA -0.640 53.816 54.840 -0.640 0.000 0.839 562 L CB 0.003 41.415 42.059 -1.078 0.000 1.133 562 L HN 0.623 nan 8.230 nan 0.000 0.453 563 F N 3.576 123.387 119.950 -0.232 0.000 2.377 563 F HA 0.184 4.704 4.527 -0.012 0.000 0.360 563 F C 0.368 176.092 175.800 -0.126 0.000 1.147 563 F CA -1.059 56.870 58.000 -0.118 0.000 1.170 563 F CB 0.151 39.129 39.000 -0.037 0.000 1.339 563 F HN 0.402 nan 8.300 nan 0.000 0.552 564 D N 3.773 124.171 120.400 -0.004 0.000 2.411 564 D HA 0.276 4.908 4.640 -0.013 0.000 0.225 564 D C -0.893 175.338 176.300 -0.114 0.000 1.156 564 D CA 0.124 54.074 54.000 -0.084 0.000 0.874 564 D CB 0.984 41.723 40.800 -0.101 0.000 1.034 564 D HN 0.278 nan 8.370 nan 0.000 0.502 565 V N 2.834 122.664 119.914 -0.140 0.000 2.656 565 V HA 0.557 4.669 4.120 -0.013 0.000 0.307 565 V C -1.394 174.552 176.094 -0.247 0.000 1.051 565 V CA -0.722 61.479 62.300 -0.166 0.000 0.893 565 V CB 1.964 33.731 31.823 -0.093 0.000 0.999 565 V HN 0.492 nan 8.190 nan 0.000 0.426 566 Q N 4.389 124.057 119.800 -0.221 0.000 2.347 566 Q HA 0.678 5.010 4.340 -0.013 0.000 0.265 566 Q C -1.490 174.345 176.000 -0.275 0.000 1.024 566 Q CA -0.662 54.999 55.803 -0.236 0.000 0.731 566 Q CB 1.886 30.511 28.738 -0.187 0.000 1.245 566 Q HN 1.154 nan 8.270 nan 0.000 0.472 567 V N 2.317 122.055 119.914 -0.294 0.000 2.443 567 V HA 0.831 4.943 4.120 -0.013 0.000 0.293 567 V C -0.814 175.003 176.094 -0.462 0.000 1.021 567 V CA -0.595 61.344 62.300 -0.601 0.000 0.848 567 V CB 1.156 32.383 31.823 -0.994 0.000 0.998 567 V HN 0.809 nan 8.190 nan 0.000 0.424 568 K N 2.815 123.009 120.400 -0.343 0.000 2.809 568 K HA 0.465 4.777 4.320 -0.013 0.000 0.293 568 K C -1.229 175.385 176.600 0.022 0.000 1.061 568 K CA -1.055 55.209 56.287 -0.040 0.000 0.837 568 K CB 1.112 33.581 32.500 -0.053 0.000 1.524 568 K HN 0.447 nan 8.250 nan 0.000 0.370 569 R N 0.667 121.233 120.500 0.110 0.000 2.734 569 R HA 0.198 4.530 4.340 -0.013 0.000 0.266 569 R C 0.382 176.707 176.300 0.043 0.000 1.044 569 R CA -0.364 55.808 56.100 0.119 0.000 1.128 569 R CB -0.149 30.268 30.300 0.195 0.000 1.010 569 R HN 0.472 nan 8.270 nan 0.000 0.461 570 I N 4.115 124.683 120.570 -0.004 0.000 2.379 570 I HA 0.115 4.277 4.170 -0.013 0.000 0.290 570 I C 0.794 176.792 176.117 -0.199 0.000 1.063 570 I CA 0.523 61.768 61.300 -0.092 0.000 1.351 570 I CB -0.207 37.733 38.000 -0.100 0.000 1.410 570 I HN 0.275 nan 8.210 nan 0.000 0.505 571 H N 4.219 123.194 119.070 -0.158 0.000 2.985 571 H HA 0.283 4.831 4.556 -0.013 0.000 0.360 571 H C 0.325 175.539 175.328 -0.191 0.000 1.221 571 H CA -0.481 55.507 56.048 -0.100 0.000 1.121 571 H CB 2.206 31.827 29.762 -0.234 0.000 1.854 571 H HN 0.503 nan 8.280 nan 0.000 0.551 572 E N 0.736 120.998 120.200 0.104 0.000 2.158 572 E HA -0.142 4.200 4.350 -0.013 0.000 0.191 572 E C 1.351 177.680 176.600 -0.452 0.000 0.982 572 E CA 0.839 57.218 56.400 -0.034 0.000 0.823 572 E CB 0.134 29.997 29.700 0.272 0.000 0.766 572 E HN 0.510 nan 8.360 nan 0.000 0.468 573 Y N 0.627 120.390 120.300 -0.896 0.000 2.439 573 Y HA 0.058 4.600 4.550 -0.013 0.000 0.292 573 Y C 1.515 177.152 175.900 -0.438 0.000 1.130 573 Y CA 0.580 57.994 58.100 -1.144 0.000 1.254 573 Y CB 0.102 37.921 38.460 -1.068 0.000 1.000 573 Y HN -0.220 nan 8.280 nan 0.000 0.554 574 K N 1.033 120.990 120.400 -0.738 0.000 2.366 574 K HA 0.034 4.346 4.320 -0.013 0.000 0.198 574 K C 0.141 176.571 176.600 -0.283 0.000 1.044 574 K CA 0.625 56.585 56.287 -0.546 0.000 0.973 574 K CB -0.122 32.070 32.500 -0.513 0.000 0.767 574 K HN 0.383 nan 8.250 nan 0.000 0.475 575 R N 0.959 121.319 120.500 -0.233 0.000 3.209 575 R HA -0.175 4.157 4.340 -0.013 0.000 0.252 575 R C 0.479 176.698 176.300 -0.135 0.000 0.958 575 R CA 0.126 56.139 56.100 -0.145 0.000 0.651 575 R CB -1.830 28.400 30.300 -0.117 0.000 1.142 575 R HN 0.209 nan 8.270 nan 0.000 0.441 576 Q N 0.172 119.894 119.800 -0.130 0.000 2.291 576 Q HA 0.036 4.368 4.340 -0.013 0.000 0.205 576 Q C 1.820 177.768 176.000 -0.087 0.000 0.970 576 Q CA 1.094 56.831 55.803 -0.109 0.000 0.876 576 Q CB 0.147 28.825 28.738 -0.101 0.000 0.935 576 Q HN 0.600 nan 8.270 nan 0.000 0.455 577 L N -0.640 120.535 121.223 -0.080 0.000 2.093 577 L HA -0.165 4.167 4.340 -0.013 0.000 0.208 577 L C 1.934 178.798 176.870 -0.010 0.000 1.085 577 L CA 0.582 55.390 54.840 -0.053 0.000 0.755 577 L CB -0.289 41.750 42.059 -0.033 0.000 0.904 577 L HN 0.311 nan 8.230 nan 0.000 0.435 578 L N 0.012 121.219 121.223 -0.028 0.000 2.083 578 L HA -0.236 4.096 4.340 -0.013 0.000 0.209 578 L C 1.992 178.876 176.870 0.023 0.000 1.083 578 L CA 1.869 56.695 54.840 -0.023 0.000 0.752 578 L CB -0.789 41.155 42.059 -0.191 0.000 0.899 578 L HN 0.284 nan 8.230 nan 0.000 0.433 579 N N -1.899 116.793 118.700 -0.014 0.000 2.142 579 N HA -0.215 4.517 4.740 -0.013 0.000 0.186 579 N C 1.935 177.518 175.510 0.123 0.000 1.023 579 N CA 1.432 54.549 53.050 0.111 0.000 0.852 579 N CB -0.104 38.392 38.487 0.016 0.000 0.998 579 N HN 0.474 nan 8.380 nan 0.000 0.424 580 C N 0.549 119.862 119.300 0.022 0.000 2.432 580 C HA -0.054 4.398 4.460 -0.013 0.000 0.277 580 C C 2.556 177.547 174.990 0.002 0.000 1.249 580 C CA 0.339 59.328 59.018 -0.048 0.000 1.725 580 C CB -1.228 26.431 27.740 -0.134 0.000 2.028 580 C HN 0.519 nan 8.230 nan 0.000 0.477 581 L N -0.138 121.144 121.223 0.099 0.000 2.079 581 L HA -0.219 4.113 4.340 -0.013 0.000 0.210 581 L C 2.714 179.752 176.870 0.281 0.000 1.081 581 L CA 1.856 56.809 54.840 0.189 0.000 0.752 581 L CB -1.088 41.154 42.059 0.305 0.000 0.896 581 L HN 0.623 nan 8.230 nan 0.000 0.433 582 H N -0.183 119.006 119.070 0.199 0.000 2.363 582 H HA -0.109 4.439 4.556 -0.013 0.000 0.301 582 H C 2.249 177.582 175.328 0.009 0.000 1.074 582 H CA 1.633 57.725 56.048 0.073 0.000 1.354 582 H CB 0.372 30.130 29.762 -0.007 0.000 1.397 582 H HN 0.085 nan 8.280 nan 0.000 0.516 583 V N 1.514 121.350 119.914 -0.130 0.000 2.332 583 V HA -0.265 3.847 4.120 -0.013 0.000 0.248 583 V C 2.779 178.804 176.094 -0.116 0.000 1.055 583 V CA 1.832 64.015 62.300 -0.196 0.000 1.038 583 V CB -0.478 31.279 31.823 -0.111 0.000 0.651 583 V HN 0.386 nan 8.190 nan 0.000 0.450 584 I N -0.440 120.100 120.570 -0.050 0.000 2.394 584 I HA -0.197 3.965 4.170 -0.013 0.000 0.251 584 I C 2.479 178.665 176.117 0.115 0.000 1.136 584 I CA 1.537 62.879 61.300 0.070 0.000 1.425 584 I CB -0.539 37.488 38.000 0.046 0.000 1.079 584 I HN 0.308 nan 8.210 nan 0.000 0.425 585 T N 1.130 115.704 114.554 0.033 0.000 2.708 585 T HA -0.147 4.195 4.350 -0.013 0.000 0.266 585 T C 1.878 176.544 174.700 -0.056 0.000 1.037 585 T CA 1.176 63.289 62.100 0.021 0.000 1.146 585 T CB -0.231 68.669 68.868 0.054 0.000 0.865 585 T HN 0.069 nan 8.240 nan 0.000 0.435 586 L N 0.266 121.380 121.223 -0.182 0.000 2.013 586 L HA -0.075 4.257 4.340 -0.013 0.000 0.212 586 L C 2.113 178.953 176.870 -0.051 0.000 1.073 586 L CA 1.650 56.380 54.840 -0.183 0.000 0.753 586 L CB -1.137 40.743 42.059 -0.300 0.000 0.890 586 L HN 0.338 nan 8.230 nan 0.000 0.432 587 Y N 0.535 120.777 120.300 -0.097 0.000 2.097 587 Y HA -0.294 4.248 4.550 -0.013 0.000 0.282 587 Y C 2.484 178.369 175.900 -0.024 0.000 1.152 587 Y CA 2.000 60.083 58.100 -0.028 0.000 1.136 587 Y CB -0.346 38.147 38.460 0.056 0.000 0.975 587 Y HN 0.288 nan 8.280 nan 0.000 0.498 588 N N 0.326 119.021 118.700 -0.007 0.000 2.166 588 N HA -0.147 4.585 4.740 -0.013 0.000 0.186 588 N C 1.877 177.296 175.510 -0.153 0.000 1.019 588 N CA 1.538 54.514 53.050 -0.123 0.000 0.856 588 N CB -0.342 38.129 38.487 -0.026 0.000 0.993 588 N HN 0.450 nan 8.380 nan 0.000 0.426 589 R N 0.236 120.668 120.500 -0.114 0.000 2.092 589 R HA 0.100 4.432 4.340 -0.013 0.000 0.231 589 R C 2.179 178.400 176.300 -0.132 0.000 1.119 589 R CA 0.683 56.719 56.100 -0.106 0.000 0.970 589 R CB -0.230 30.017 30.300 -0.088 0.000 0.864 589 R HN 0.232 nan 8.270 nan 0.000 0.440 590 I N 1.006 121.477 120.570 -0.165 0.000 2.315 590 I HA -0.249 3.913 4.170 -0.013 0.000 0.248 590 I C 1.961 177.960 176.117 -0.195 0.000 1.117 590 I CA 1.179 62.377 61.300 -0.169 0.000 1.404 590 I CB -0.082 37.815 38.000 -0.172 0.000 1.071 590 I HN 0.002 nan 8.210 nan 0.000 0.419 591 K N 0.679 120.905 120.400 -0.290 0.000 2.365 591 K HA -0.155 4.157 4.320 -0.013 0.000 0.199 591 K C 1.948 178.449 176.600 -0.165 0.000 1.045 591 K CA 0.854 56.980 56.287 -0.269 0.000 0.962 591 K CB -0.141 32.122 32.500 -0.395 0.000 0.759 591 K HN 0.160 nan 8.250 nan 0.000 0.469 592 K N 1.859 122.173 120.400 -0.143 0.000 2.067 592 K HA -0.038 4.274 4.320 -0.013 0.000 0.203 592 K C 0.111 176.665 176.600 -0.077 0.000 1.048 592 K CA 1.121 57.348 56.287 -0.100 0.000 0.954 592 K CB 0.402 32.847 32.500 -0.091 0.000 0.737 592 K HN 0.038 nan 8.250 nan 0.000 0.444 593 E N 0.900 121.055 120.200 -0.076 0.000 2.795 593 E HA 0.186 4.529 4.350 -0.013 0.000 0.226 593 E C -2.351 174.214 176.600 -0.057 0.000 1.088 593 E CA -1.810 54.557 56.400 -0.054 0.000 0.812 593 E CB 1.591 31.266 29.700 -0.041 0.000 1.328 593 E HN 0.094 nan 8.360 nan 0.000 0.410 594 P HA -0.160 nan 4.420 nan 0.000 0.215 594 P C 0.325 177.607 177.300 -0.030 0.000 1.153 594 P CA 1.227 64.294 63.100 -0.054 0.000 0.853 594 P CB 0.150 31.822 31.700 -0.047 0.000 0.788 595 N N -0.860 117.832 118.700 -0.014 0.000 2.362 595 N HA 0.014 4.746 4.740 -0.013 0.000 0.211 595 N C 0.414 175.940 175.510 0.027 0.000 1.170 595 N CA 0.084 53.139 53.050 0.008 0.000 0.828 595 N CB -0.127 38.365 38.487 0.008 0.000 1.034 595 N HN 0.085 nan 8.380 nan 0.000 0.475 596 K N 0.959 121.369 120.400 0.018 0.000 2.138 596 K HA 0.192 4.504 4.320 -0.013 0.000 0.263 596 K C -1.069 175.573 176.600 0.070 0.000 0.965 596 K CA -0.653 55.660 56.287 0.044 0.000 0.868 596 K CB 0.825 33.332 32.500 0.011 0.000 1.083 596 K HN -0.038 nan 8.250 nan 0.000 0.443 597 F N 4.540 124.478 119.950 -0.021 0.000 2.427 597 F HA 0.272 4.791 4.527 -0.013 0.000 0.352 597 F C -0.506 175.281 175.800 -0.021 0.000 1.100 597 F CA -0.171 57.818 58.000 -0.018 0.000 1.191 597 F CB 0.735 39.727 39.000 -0.014 0.000 1.128 597 F HN 0.187 nan 8.300 nan 0.000 0.533 598 V N 4.056 123.397 119.914 -0.954 0.000 2.841 598 V HA 0.521 4.633 4.120 -0.013 0.000 0.310 598 V C -0.748 174.747 176.094 -0.998 0.000 1.090 598 V CA -1.235 60.650 62.300 -0.692 0.000 0.930 598 V CB 0.911 32.522 31.823 -0.353 0.000 1.014 598 V HN 0.581 nan 8.190 nan 0.000 0.425 599 V N 4.776 124.373 119.914 -0.528 0.000 2.540 599 V HA 0.181 4.293 4.120 -0.013 0.000 0.297 599 V C -1.789 174.140 176.094 -0.274 0.000 1.024 599 V CA -0.350 61.770 62.300 -0.299 0.000 1.105 599 V CB 0.431 32.207 31.823 -0.078 0.000 0.938 599 V HN 0.905 nan 8.190 nan 0.000 0.482 600 P HA 0.383 nan 4.420 nan 0.000 0.268 600 P C -0.497 176.716 177.300 -0.145 0.000 1.205 600 P CA -0.140 62.873 63.100 -0.145 0.000 0.771 600 P CB 0.565 32.228 31.700 -0.062 0.000 0.858 601 R N 0.636 121.066 120.500 -0.115 0.000 2.698 601 R HA 0.599 4.931 4.340 -0.013 0.000 0.275 601 R C -0.954 175.317 176.300 -0.048 0.000 1.001 601 R CA -0.601 55.434 56.100 -0.107 0.000 0.896 601 R CB 1.990 32.207 30.300 -0.138 0.000 1.218 601 R HN 0.272 nan 8.270 nan 0.000 0.462 602 T N 1.927 116.477 114.554 -0.006 0.000 2.864 602 T HA 0.223 4.565 4.350 -0.013 0.000 0.310 602 T C -0.858 173.771 174.700 -0.118 0.000 1.040 602 T CA -0.566 61.498 62.100 -0.060 0.000 0.977 602 T CB 1.149 69.960 68.868 -0.095 0.000 0.976 602 T HN 0.350 nan 8.240 nan 0.000 0.459 603 V N 4.999 124.842 119.914 -0.117 0.000 2.383 603 V HA 0.691 4.803 4.120 -0.013 0.000 0.275 603 V C -0.533 175.475 176.094 -0.142 0.000 1.036 603 V CA -0.658 61.571 62.300 -0.118 0.000 0.889 603 V CB 0.701 32.475 31.823 -0.083 0.000 0.985 603 V HN 0.864 nan 8.190 nan 0.000 0.459 604 M N 7.540 127.038 119.600 -0.169 0.000 2.167 604 M HA 0.591 5.063 4.480 -0.013 0.000 0.333 604 M C -0.914 175.264 176.300 -0.203 0.000 1.030 604 M CA -0.205 54.983 55.300 -0.188 0.000 0.963 604 M CB 1.897 34.372 32.600 -0.208 0.000 1.589 604 M HN 0.521 nan 8.290 nan 0.000 0.431 605 I N 2.266 122.705 120.570 -0.218 0.000 2.389 605 I HA 0.750 4.912 4.170 -0.013 0.000 0.288 605 I C 0.163 175.970 176.117 -0.518 0.000 0.999 605 I CA -0.568 60.582 61.300 -0.250 0.000 1.129 605 I CB 2.027 39.970 38.000 -0.096 0.000 1.288 605 I HN 0.798 nan 8.210 nan 0.000 0.444 606 G N 3.272 111.733 108.800 -0.565 0.000 2.659 606 G HA2 0.839 4.791 3.960 -0.013 0.000 0.296 606 G HA3 0.839 4.791 3.960 -0.013 0.000 0.296 606 G C -0.946 173.652 174.900 -0.504 0.000 1.369 606 G CA -0.832 43.797 45.100 -0.784 0.000 0.937 606 G HN 0.938 nan 8.290 nan 0.000 0.485 607 G N -0.284 108.350 108.800 -0.276 0.000 2.340 607 G HA2 0.445 4.397 3.960 -0.013 0.000 0.300 607 G HA3 0.445 4.397 3.960 -0.013 0.000 0.300 607 G C -1.565 173.449 174.900 0.190 0.000 1.488 607 G CA -0.992 44.120 45.100 0.021 0.000 0.878 607 G HN 0.601 nan 8.290 nan 0.000 0.618 608 K N -0.248 120.261 120.400 0.182 0.000 2.164 608 K HA 0.766 5.078 4.320 -0.013 0.000 0.258 608 K C 0.089 176.804 176.600 0.192 0.000 0.951 608 K CA -0.329 56.083 56.287 0.209 0.000 0.844 608 K CB 2.063 34.588 32.500 0.042 0.000 1.099 608 K HN 0.858 nan 8.250 nan 0.000 0.435 609 A N 1.595 124.567 122.820 0.252 0.000 2.324 609 A HA 0.680 4.992 4.320 -0.013 0.000 0.330 609 A C -0.543 177.199 177.584 0.263 0.000 1.165 609 A CA -0.711 51.410 52.037 0.139 0.000 0.813 609 A CB 1.111 20.123 19.000 0.021 0.000 1.197 609 A HN 0.782 nan 8.150 nan 0.000 0.484 610 A N 3.425 126.372 122.820 0.211 0.000 2.498 610 A HA 0.490 4.802 4.320 -0.013 0.000 0.239 610 A C -1.393 176.264 177.584 0.121 0.000 1.068 610 A CA -0.867 51.304 52.037 0.224 0.000 0.766 610 A CB -0.354 18.738 19.000 0.153 0.000 1.003 610 A HN 0.596 nan 8.150 nan 0.000 0.497 611 P HA -0.158 nan 4.420 nan 0.000 0.217 611 P C 1.347 178.635 177.300 -0.021 0.000 1.151 611 P CA 2.073 65.115 63.100 -0.097 0.000 0.849 611 P CB 0.182 31.776 31.700 -0.176 0.000 0.787 612 G N -3.263 105.547 108.800 0.015 0.000 3.042 612 G HA2 -0.112 3.840 3.960 -0.013 0.000 0.212 612 G HA3 -0.112 3.840 3.960 -0.013 0.000 0.212 612 G C -0.145 174.793 174.900 0.062 0.000 1.166 612 G CA -0.025 45.089 45.100 0.022 0.000 0.767 612 G HN 0.169 nan 8.290 nan 0.000 0.546 613 Y N 2.291 122.529 120.300 -0.104 0.000 2.616 613 Y HA 0.189 4.731 4.550 -0.013 0.000 0.350 613 Y C 1.456 177.338 175.900 -0.030 0.000 1.119 613 Y CA -1.782 56.240 58.100 -0.129 0.000 1.467 613 Y CB -0.541 37.803 38.460 -0.194 0.000 1.287 613 Y HN 0.363 nan 8.280 nan 0.000 0.504 614 H N 3.879 123.064 119.070 0.191 0.000 2.353 614 H HA -0.190 4.358 4.556 -0.013 0.000 0.300 614 H C 1.664 177.006 175.328 0.024 0.000 1.090 614 H CA 2.109 58.207 56.048 0.083 0.000 1.327 614 H CB 0.421 30.229 29.762 0.077 0.000 1.383 614 H HN 0.621 nan 8.280 nan 0.000 0.508 615 M N 1.160 120.703 119.600 -0.095 0.000 2.086 615 M HA -0.079 4.393 4.480 -0.013 0.000 0.261 615 M C 2.643 178.674 176.300 -0.448 0.000 1.067 615 M CA 1.898 57.056 55.300 -0.236 0.000 1.116 615 M CB -0.978 31.622 32.600 0.001 0.000 1.348 615 M HN 0.335 nan 8.290 nan 0.000 0.407 616 A N -0.319 121.971 122.820 -0.883 0.000 1.948 616 A HA -0.236 4.077 4.320 -0.013 0.000 0.220 616 A C 2.190 179.557 177.584 -0.362 0.000 1.177 616 A CA 2.114 53.691 52.037 -0.767 0.000 0.636 616 A CB -0.747 17.591 19.000 -1.103 0.000 0.815 616 A HN 0.622 nan 8.150 nan 0.000 0.449 617 K N -1.446 118.797 120.400 -0.261 0.000 2.296 617 K HA 0.037 4.349 4.320 -0.013 0.000 0.200 617 K C 1.757 178.319 176.600 -0.063 0.000 1.048 617 K CA 0.875 57.105 56.287 -0.095 0.000 0.966 617 K CB -0.131 32.373 32.500 0.007 0.000 0.754 617 K HN 0.321 nan 8.250 nan 0.000 0.466 618 M N 0.503 120.008 119.600 -0.158 0.000 2.288 618 M HA -0.005 4.467 4.480 -0.013 0.000 0.266 618 M C 1.966 178.208 176.300 -0.095 0.000 1.072 618 M CA 1.250 56.499 55.300 -0.084 0.000 1.132 618 M CB -0.375 32.128 32.600 -0.161 0.000 1.386 618 M HN 0.098 nan 8.290 nan 0.000 0.432 619 I N -0.540 119.931 120.570 -0.166 0.000 2.315 619 I HA -0.279 3.883 4.170 -0.013 0.000 0.248 619 I C 2.195 178.181 176.117 -0.217 0.000 1.117 619 I CA 0.946 62.139 61.300 -0.179 0.000 1.404 619 I CB -0.257 37.634 38.000 -0.181 0.000 1.071 619 I HN 0.151 nan 8.210 nan 0.000 0.419 620 I N 0.746 121.168 120.570 -0.248 0.000 2.286 620 I HA -0.291 3.871 4.170 -0.013 0.000 0.248 620 I C 2.532 178.350 176.117 -0.498 0.000 1.115 620 I CA 1.188 62.239 61.300 -0.415 0.000 1.392 620 I CB -0.194 37.548 38.000 -0.431 0.000 1.065 620 I HN 0.140 nan 8.210 nan 0.000 0.418 621 K N 1.307 121.444 120.400 -0.438 0.000 2.148 621 K HA -0.107 4.205 4.320 -0.013 0.000 0.204 621 K C 1.972 178.406 176.600 -0.277 0.000 1.050 621 K CA 1.303 57.249 56.287 -0.569 0.000 0.942 621 K CB -0.382 31.524 32.500 -0.990 0.000 0.724 621 K HN 0.232 nan 8.250 nan 0.000 0.446 622 L N 0.304 121.390 121.223 -0.229 0.000 2.027 622 L HA -0.109 4.223 4.340 -0.013 0.000 0.206 622 L C 2.076 178.703 176.870 -0.406 0.000 1.074 622 L CA 1.476 56.030 54.840 -0.476 0.000 0.745 622 L CB -0.258 41.461 42.059 -0.567 0.000 0.898 622 L HN 0.231 nan 8.230 nan 0.000 0.433 623 I N -0.016 120.366 120.570 -0.312 0.000 2.127 623 I HA -0.346 3.816 4.170 -0.013 0.000 0.241 623 I C 2.636 178.629 176.117 -0.206 0.000 1.075 623 I CA 2.008 63.174 61.300 -0.223 0.000 1.334 623 I CB -0.652 37.296 38.000 -0.086 0.000 1.040 623 I HN 0.415 nan 8.210 nan 0.000 0.405 624 T N -0.746 113.654 114.554 -0.256 0.000 2.833 624 T HA -0.084 4.258 4.350 -0.013 0.000 0.269 624 T C 1.960 176.572 174.700 -0.147 0.000 1.054 624 T CA 0.966 62.949 62.100 -0.195 0.000 1.135 624 T CB -0.465 68.244 68.868 -0.265 0.000 0.869 624 T HN 0.352 nan 8.240 nan 0.000 0.466 625 A N 1.520 124.244 122.820 -0.160 0.000 1.902 625 A HA 0.135 4.447 4.320 -0.013 0.000 0.217 625 A C 2.362 179.910 177.584 -0.060 0.000 1.181 625 A CA 1.328 53.332 52.037 -0.056 0.000 0.623 625 A CB -0.818 18.218 19.000 0.060 0.000 0.818 625 A HN 0.576 nan 8.150 nan 0.000 0.443 626 I N -0.212 120.214 120.570 -0.241 0.000 2.226 626 I HA -0.199 3.963 4.170 -0.013 0.000 0.245 626 I C 2.703 178.740 176.117 -0.134 0.000 1.100 626 I CA 1.177 62.304 61.300 -0.288 0.000 1.374 626 I CB -0.555 37.175 38.000 -0.451 0.000 1.057 626 I HN 0.384 nan 8.210 nan 0.000 0.413 627 G N 0.316 109.039 108.800 -0.129 0.000 2.440 627 G HA2 -0.264 3.688 3.960 -0.013 0.000 0.218 627 G HA3 -0.264 3.688 3.960 -0.013 0.000 0.218 627 G C 1.285 176.131 174.900 -0.089 0.000 1.154 627 G CA 1.023 46.058 45.100 -0.109 0.000 0.767 627 G HN 0.284 nan 8.290 nan 0.000 0.552 628 D N 0.099 120.490 120.400 -0.015 0.000 2.123 628 D HA -0.095 4.537 4.640 -0.013 0.000 0.196 628 D C 2.733 179.105 176.300 0.121 0.000 0.992 628 D CA 0.818 54.879 54.000 0.102 0.000 0.833 628 D CB -0.346 40.499 40.800 0.075 0.000 0.954 628 D HN 0.235 nan 8.370 nan 0.000 0.455 629 V N 0.423 120.342 119.914 0.009 0.000 2.255 629 V HA -0.171 3.941 4.120 -0.013 0.000 0.243 629 V C 2.674 178.711 176.094 -0.095 0.000 1.038 629 V CA 0.925 63.182 62.300 -0.072 0.000 1.008 629 V CB -0.466 31.254 31.823 -0.172 0.000 0.645 629 V HN 0.025 nan 8.190 nan 0.000 0.449 630 V N 1.015 120.808 119.914 -0.200 0.000 2.287 630 V HA -0.254 3.858 4.120 -0.013 0.000 0.248 630 V C 2.128 178.182 176.094 -0.066 0.000 1.053 630 V CA 2.225 64.431 62.300 -0.157 0.000 1.027 630 V CB -0.941 30.777 31.823 -0.176 0.000 0.646 630 V HN 0.585 nan 8.190 nan 0.000 0.447 631 N N -0.507 118.071 118.700 -0.203 0.000 2.550 631 N HA -0.079 4.653 4.740 -0.013 0.000 0.186 631 N C 1.084 176.312 175.510 -0.470 0.000 1.110 631 N CA 0.861 53.704 53.050 -0.345 0.000 0.912 631 N CB -0.292 37.910 38.487 -0.474 0.000 0.968 631 N HN 0.711 nan 8.380 nan 0.000 0.448 632 H N -1.610 117.476 119.070 0.027 0.000 2.662 632 H HA 0.214 4.762 4.556 -0.013 0.000 0.268 632 H C -0.633 174.724 175.328 0.047 0.000 1.152 632 H CA -0.487 55.578 56.048 0.028 0.000 1.072 632 H CB 0.708 30.474 29.762 0.006 0.000 1.660 632 H HN -0.039 nan 8.280 nan 0.000 0.584 633 D N 1.644 122.131 120.400 0.144 0.000 2.359 633 D HA 0.070 4.702 4.640 -0.013 0.000 0.230 633 D C -1.674 174.690 176.300 0.107 0.000 1.118 633 D CA -2.159 51.936 54.000 0.159 0.000 0.844 633 D CB 1.803 42.772 40.800 0.281 0.000 1.059 633 D HN 0.103 nan 8.370 nan 0.000 0.493 634 P HA -0.117 nan 4.420 nan 0.000 0.218 634 P C 1.572 178.895 177.300 0.038 0.000 1.148 634 P CA 0.385 63.518 63.100 0.055 0.000 0.822 634 P CB 0.459 32.187 31.700 0.046 0.000 0.784 635 V N -0.607 119.326 119.914 0.031 0.000 2.515 635 V HA -0.156 3.956 4.120 -0.013 0.000 0.250 635 V C 2.449 178.541 176.094 -0.003 0.000 1.058 635 V CA 1.440 63.742 62.300 0.003 0.000 1.064 635 V CB -0.953 30.857 31.823 -0.021 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N -0.187 119.739 119.914 0.020 0.000 2.453 636 V HA 0.090 4.203 4.120 -0.013 0.000 0.247 636 V C 1.825 177.928 176.094 0.015 0.000 1.048 636 V CA 1.493 63.805 62.300 0.020 0.000 1.049 636 V CB -1.137 30.743 31.823 0.094 0.000 0.672 636 V HN 0.729 nan 8.190 nan 0.000 0.457 637 G N 1.494 110.311 108.800 0.028 0.000 2.583 637 G HA2 -0.421 3.531 3.960 -0.013 0.000 0.292 637 G HA3 -0.421 3.531 3.960 -0.013 0.000 0.292 637 G C 0.307 175.223 174.900 0.027 0.000 1.203 637 G CA 0.671 45.788 45.100 0.028 0.000 0.987 637 G HN 0.725 nan 8.290 nan 0.000 0.554 638 D N -0.224 120.193 120.400 0.028 0.000 2.342 638 D HA 0.272 4.904 4.640 -0.013 0.000 0.221 638 D C 1.918 178.221 176.300 0.005 0.000 1.101 638 D CA 0.287 54.307 54.000 0.032 0.000 0.837 638 D CB 0.103 40.938 40.800 0.058 0.000 0.938 638 D HN 0.543 nan 8.370 nan 0.000 0.508 639 R N -0.701 119.788 120.500 -0.019 0.000 2.193 639 R HA 0.211 4.543 4.340 -0.013 0.000 0.213 639 R C -0.233 176.028 176.300 -0.066 0.000 1.055 639 R CA 0.379 56.441 56.100 -0.065 0.000 0.995 639 R CB 0.161 30.401 30.300 -0.101 0.000 0.893 639 R HN 0.188 nan 8.270 nan 0.000 0.459 640 L N 0.775 121.978 121.223 -0.033 0.000 2.516 640 L HA 0.352 4.684 4.340 -0.013 0.000 0.267 640 L C -1.577 175.277 176.870 -0.027 0.000 0.957 640 L CA -0.451 54.369 54.840 -0.034 0.000 0.860 640 L CB 1.678 43.729 42.059 -0.013 0.000 1.265 640 L HN -0.164 nan 8.230 nan 0.000 0.403 641 R N 4.200 124.670 120.500 -0.049 0.000 2.621 641 R HA 0.731 5.063 4.340 -0.013 0.000 0.292 641 R C -1.496 174.752 176.300 -0.086 0.000 0.969 641 R CA -0.836 55.224 56.100 -0.067 0.000 0.887 641 R CB 2.340 32.601 30.300 -0.064 0.000 1.180 641 R HN 0.380 nan 8.270 nan 0.000 0.450 642 V N 5.011 124.867 119.914 -0.095 0.000 2.326 642 V HA 0.438 4.551 4.120 -0.013 0.000 0.281 642 V C -0.081 175.965 176.094 -0.081 0.000 1.015 642 V CA -0.593 61.650 62.300 -0.095 0.000 0.823 642 V CB 1.324 33.083 31.823 -0.106 0.000 1.009 642 V HN 0.573 nan 8.190 nan 0.000 0.436 643 I N 4.739 125.260 120.570 -0.082 0.000 2.433 643 I HA 0.446 4.608 4.170 -0.013 0.000 0.292 643 I C -0.745 175.348 176.117 -0.040 0.000 1.001 643 I CA -0.458 60.805 61.300 -0.062 0.000 1.119 643 I CB 2.024 39.964 38.000 -0.101 0.000 1.289 643 I HN 0.549 nan 8.210 nan 0.000 0.438 644 F N 7.728 127.606 119.950 -0.119 0.000 2.350 644 F HA 0.422 4.941 4.527 -0.013 0.000 0.365 644 F C -0.607 175.119 175.800 -0.124 0.000 1.122 644 F CA -0.774 57.155 58.000 -0.118 0.000 1.139 644 F CB 0.509 39.445 39.000 -0.107 0.000 1.220 644 F HN 0.132 nan 8.300 nan 0.000 0.499 645 L N 5.750 126.567 121.223 -0.677 0.000 2.565 645 L HA 0.084 4.416 4.340 -0.013 0.000 0.275 645 L C 0.509 177.055 176.870 -0.540 0.000 1.137 645 L CA 0.312 54.853 54.840 -0.498 0.000 0.915 645 L CB -0.432 41.421 42.059 -0.343 0.000 1.232 645 L HN 0.605 nan 8.230 nan 0.000 0.473 646 E N 3.152 123.163 120.200 -0.314 0.000 2.392 646 E HA -0.043 4.300 4.350 -0.013 0.000 0.264 646 E C 0.568 177.188 176.600 0.032 0.000 1.024 646 E CA -0.185 56.183 56.400 -0.053 0.000 0.903 646 E CB 0.287 29.961 29.700 -0.043 0.000 0.963 646 E HN 0.518 nan 8.360 nan 0.000 0.432 647 N N 2.428 121.223 118.700 0.160 0.000 2.705 647 N HA -0.286 4.447 4.740 -0.013 0.000 0.255 647 N C -1.541 174.058 175.510 0.148 0.000 1.008 647 N CA 0.523 53.675 53.050 0.171 0.000 0.742 647 N CB -1.366 37.247 38.487 0.211 0.000 0.906 647 N HN 0.432 nan 8.380 nan 0.000 0.541 648 Y N 1.517 121.808 120.300 -0.016 0.000 2.632 648 Y HA 0.166 4.708 4.550 -0.013 0.000 0.329 648 Y C 1.111 177.018 175.900 0.011 0.000 1.174 648 Y CA 0.377 58.456 58.100 -0.035 0.000 1.469 648 Y CB 0.284 38.692 38.460 -0.087 0.000 1.242 648 Y HN 0.358 nan 8.280 nan 0.000 0.540 649 R N 2.633 122.832 120.500 -0.502 0.000 2.781 649 R HA 0.496 4.828 4.340 -0.013 0.000 0.268 649 R C -0.155 175.805 176.300 -0.566 0.000 1.047 649 R CA -0.663 55.177 56.100 -0.433 0.000 0.925 649 R CB 0.393 30.629 30.300 -0.106 0.000 1.246 649 R HN 0.363 nan 8.270 nan 0.000 0.456 650 V N 1.121 120.735 119.914 -0.500 0.000 2.231 650 V HA -0.326 3.786 4.120 -0.013 0.000 0.250 650 V C 2.596 178.573 176.094 -0.194 0.000 1.058 650 V CA 2.985 65.070 62.300 -0.359 0.000 1.022 650 V CB -0.888 30.702 31.823 -0.387 0.000 0.640 650 V HN 0.965 nan 8.190 nan 0.000 0.445 651 S N 0.094 115.697 115.700 -0.161 0.000 2.400 651 S HA -0.202 4.260 4.470 -0.013 0.000 0.232 651 S C 1.914 176.472 174.600 -0.070 0.000 1.025 651 S CA 1.814 59.951 58.200 -0.104 0.000 0.993 651 S CB -0.573 62.594 63.200 -0.055 0.000 0.808 651 S HN 0.393 nan 8.310 nan 0.000 0.478 652 L N 1.917 123.102 121.223 -0.063 0.000 2.179 652 L HA 0.366 4.698 4.340 -0.013 0.000 0.208 652 L C 2.606 179.479 176.870 0.004 0.000 1.096 652 L CA 1.329 56.169 54.840 0.000 0.000 0.779 652 L CB -1.390 40.722 42.059 0.088 0.000 0.922 652 L HN 0.343 nan 8.230 nan 0.000 0.443 653 A N -0.649 122.153 122.820 -0.031 0.000 1.933 653 A HA -0.200 4.112 4.320 -0.013 0.000 0.218 653 A C 2.082 179.712 177.584 0.077 0.000 1.175 653 A CA 1.625 53.713 52.037 0.085 0.000 0.628 653 A CB -0.569 18.451 19.000 0.034 0.000 0.814 653 A HN 0.600 nan 8.150 nan 0.000 0.444 654 E N -0.422 119.813 120.200 0.059 0.000 2.409 654 E HA -0.134 4.208 4.350 -0.013 0.000 0.198 654 E C 1.697 178.261 176.600 -0.060 0.000 1.024 654 E CA 0.981 57.384 56.400 0.005 0.000 0.861 654 E CB -0.021 29.599 29.700 -0.133 0.000 0.788 654 E HN 0.622 nan 8.360 nan 0.000 0.521 655 K N -0.095 120.244 120.400 -0.101 0.000 2.214 655 K HA -0.004 4.308 4.320 -0.013 0.000 0.201 655 K C 2.154 178.533 176.600 -0.368 0.000 1.049 655 K CA 0.770 56.972 56.287 -0.142 0.000 0.978 655 K CB 0.432 32.852 32.500 -0.134 0.000 0.842 655 K HN -0.007 nan 8.250 nan 0.000 0.474 656 V N 0.461 120.065 119.914 -0.517 0.000 2.407 656 V HA -0.121 3.991 4.120 -0.013 0.000 0.245 656 V C 2.145 177.976 176.094 -0.438 0.000 1.041 656 V CA 1.124 62.940 62.300 -0.807 0.000 1.040 656 V CB -0.722 30.752 31.823 -0.582 0.000 0.671 656 V HN 0.158 nan 8.190 nan 0.000 0.455 657 I N 0.962 121.307 120.570 -0.373 0.000 2.163 657 I HA -0.133 4.029 4.170 -0.013 0.000 0.243 657 I C -0.116 175.856 176.117 -0.241 0.000 1.085 657 I CA 1.767 62.761 61.300 -0.510 0.000 1.347 657 I CB -1.587 36.000 38.000 -0.688 0.000 1.044 657 I HN 0.364 nan 8.210 nan 0.000 0.408 658 P HA -0.089 nan 4.420 nan 0.000 0.226 658 P C 0.828 178.120 177.300 -0.013 0.000 1.153 658 P CA 1.160 64.227 63.100 -0.055 0.000 0.777 658 P CB 0.046 31.724 31.700 -0.036 0.000 0.794 659 A N -1.357 121.440 122.820 -0.039 0.000 2.345 659 A HA 0.549 4.861 4.320 -0.013 0.000 0.225 659 A C 1.042 178.740 177.584 0.191 0.000 1.243 659 A CA -0.040 52.040 52.037 0.071 0.000 0.875 659 A CB -0.523 18.531 19.000 0.089 0.000 0.929 659 A HN 0.184 nan 8.150 nan 0.000 0.502 660 A N -0.290 122.627 122.820 0.161 0.000 2.310 660 A HA 0.540 4.852 4.320 -0.013 0.000 0.299 660 A C 0.256 177.990 177.584 0.250 0.000 1.147 660 A CA -0.309 51.888 52.037 0.267 0.000 0.818 660 A CB 0.489 19.748 19.000 0.432 0.000 1.096 660 A HN 0.234 nan 8.150 nan 0.000 0.495 661 D N 0.507 121.048 120.400 0.235 0.000 2.431 661 D HA 0.133 4.765 4.640 -0.013 0.000 0.235 661 D C 0.031 176.516 176.300 0.308 0.000 0.980 661 D CA 0.714 54.889 54.000 0.292 0.000 0.912 661 D CB 0.281 41.172 40.800 0.152 0.000 1.056 661 D HN 0.358 nan 8.370 nan 0.000 0.494 662 L N 1.162 122.459 121.223 0.122 0.000 2.333 662 L HA 0.308 4.640 4.340 -0.013 0.000 0.280 662 L C -0.679 176.056 176.870 -0.225 0.000 1.004 662 L CA -0.308 54.526 54.840 -0.010 0.000 0.820 662 L CB 2.057 44.079 42.059 -0.062 0.000 1.247 662 L HN -0.144 nan 8.230 nan 0.000 0.416 663 S N 4.092 119.566 115.700 -0.377 0.000 2.442 663 S HA 0.365 4.827 4.470 -0.013 0.000 0.297 663 S C -0.510 173.804 174.600 -0.477 0.000 1.131 663 S CA -0.671 57.045 58.200 -0.808 0.000 1.092 663 S CB 0.924 63.541 63.200 -0.973 0.000 0.998 663 S HN 0.566 nan 8.310 nan 0.000 0.478 664 E N 4.037 123.967 120.200 -0.451 0.000 2.055 664 E HA 0.226 4.569 4.350 -0.013 0.000 0.274 664 E C -0.654 175.836 176.600 -0.184 0.000 0.949 664 E CA -0.500 55.767 56.400 -0.222 0.000 0.775 664 E CB 1.143 30.744 29.700 -0.165 0.000 1.097 664 E HN 0.601 nan 8.360 nan 0.000 0.404 665 Q N 2.926 122.669 119.800 -0.095 0.000 2.965 665 Q HA 0.268 4.600 4.340 -0.013 0.000 0.288 665 Q C 0.589 176.575 176.000 -0.023 0.000 0.974 665 Q CA -0.156 55.605 55.803 -0.070 0.000 0.849 665 Q CB 0.311 29.020 28.738 -0.049 0.000 1.280 665 Q HN 0.611 nan 8.270 nan 0.000 0.441 666 I N -1.247 119.301 120.570 -0.036 0.000 3.478 666 I HA 0.293 4.455 4.170 -0.013 0.000 0.347 666 I C 0.133 176.202 176.117 -0.080 0.000 1.443 666 I CA -0.569 60.720 61.300 -0.018 0.000 1.097 666 I CB 0.137 38.138 38.000 0.001 0.000 1.598 666 I HN -0.025 nan 8.210 nan 0.000 0.474 667 S N 0.597 116.249 115.700 -0.080 0.000 2.632 667 S HA 0.341 4.803 4.470 -0.013 0.000 0.267 667 S C 0.496 175.082 174.600 -0.023 0.000 1.276 667 S CA -0.419 57.750 58.200 -0.051 0.000 0.998 667 S CB 0.916 64.129 63.200 0.022 0.000 0.953 667 S HN 0.418 nan 8.310 nan 0.000 0.547 668 T N 2.366 116.945 114.554 0.041 0.000 2.853 668 T HA 0.429 4.771 4.350 -0.013 0.000 0.298 668 T C 0.664 175.381 174.700 0.028 0.000 0.978 668 T CA 0.073 62.203 62.100 0.050 0.000 1.152 668 T CB 0.101 69.069 68.868 0.166 0.000 0.914 668 T HN 0.969 nan 8.240 nan 0.000 0.539 669 A N 2.796 125.599 122.820 -0.028 0.000 2.580 669 A HA 0.428 4.740 4.320 -0.013 0.000 0.244 669 A C 1.651 179.229 177.584 -0.010 0.000 1.045 669 A CA 0.380 52.395 52.037 -0.037 0.000 0.761 669 A CB -0.966 17.999 19.000 -0.059 0.000 0.962 669 A HN 1.691 nan 8.150 nan 0.000 0.512 670 G N 1.431 110.225 108.800 -0.010 0.000 2.176 670 G HA2 -0.241 3.711 3.960 -0.013 0.000 0.232 670 G HA3 -0.241 3.711 3.960 -0.013 0.000 0.232 670 G C 0.940 175.831 174.900 -0.014 0.000 0.986 670 G CA 1.105 46.200 45.100 -0.008 0.000 0.643 670 G HN 2.047 nan 8.290 nan 0.000 0.522 671 T N -2.334 112.215 114.554 -0.009 0.000 3.034 671 T HA 0.394 4.736 4.350 -0.013 0.000 0.248 671 T C 0.772 175.346 174.700 -0.209 0.000 1.040 671 T CA 1.141 63.179 62.100 -0.103 0.000 1.107 671 T CB 0.523 69.379 68.868 -0.020 0.000 0.932 671 T HN 0.293 nan 8.240 nan 0.000 0.474 672 E N 1.409 121.607 120.200 -0.004 0.000 2.044 672 E HA 0.664 5.006 4.350 -0.013 0.000 0.282 672 E C 1.198 177.763 176.600 -0.058 0.000 1.031 672 E CA 0.091 56.529 56.400 0.063 0.000 0.824 672 E CB 0.777 30.563 29.700 0.143 0.000 1.076 672 E HN 0.340 nan 8.360 nan 0.000 0.395 673 A N 3.469 126.181 122.820 -0.179 0.000 1.915 673 A HA -0.253 4.059 4.320 -0.013 0.000 0.220 673 A C 1.960 179.449 177.584 -0.158 0.000 1.198 673 A CA 2.414 54.232 52.037 -0.365 0.000 0.647 673 A CB -0.303 18.295 19.000 -0.669 0.000 0.825 673 A HN 0.627 nan 8.150 nan 0.000 0.456 674 S N -4.419 111.235 115.700 -0.077 0.000 4.428 674 S HA 0.447 4.909 4.470 -0.013 0.000 0.199 674 S C 0.645 175.236 174.600 -0.014 0.000 1.156 674 S CA 1.338 59.528 58.200 -0.017 0.000 1.134 674 S CB -0.178 63.031 63.200 0.016 0.000 1.531 674 S HN 2.361 nan 8.310 nan 0.000 0.551 675 G N 0.207 109.004 108.800 -0.005 0.000 2.692 675 G HA2 0.003 3.955 3.960 -0.013 0.000 0.686 675 G HA3 0.003 3.955 3.960 -0.013 0.000 0.686 675 G C 0.209 175.088 174.900 -0.035 0.000 1.243 675 G CA 0.466 45.558 45.100 -0.014 0.000 0.782 675 G HN 1.370 nan 8.290 nan 0.000 0.625 676 T N -2.119 112.400 114.554 -0.059 0.000 3.029 676 T HA 0.376 4.718 4.350 -0.013 0.000 0.256 676 T C 2.347 176.945 174.700 -0.170 0.000 0.914 676 T CA 1.224 63.260 62.100 -0.107 0.000 0.880 676 T CB 0.301 69.100 68.868 -0.114 0.000 1.246 676 T HN 1.868 nan 8.240 nan 0.000 0.523 677 G N 3.203 111.930 108.800 -0.123 0.000 2.442 677 G HA2 -0.264 3.688 3.960 -0.013 0.000 0.219 677 G HA3 -0.264 3.688 3.960 -0.013 0.000 0.219 677 G C 1.446 176.387 174.900 0.069 0.000 1.141 677 G CA 1.210 46.257 45.100 -0.089 0.000 0.763 677 G HN 0.809 nan 8.290 nan 0.000 0.554 678 N N 0.421 119.144 118.700 0.038 0.000 2.061 678 N HA -0.203 4.529 4.740 -0.013 0.000 0.193 678 N C 2.248 177.764 175.510 0.010 0.000 1.030 678 N CA 1.616 54.691 53.050 0.041 0.000 0.856 678 N CB -0.428 38.038 38.487 -0.036 0.000 1.023 678 N HN 0.360 nan 8.380 nan 0.000 0.424 679 M N 0.834 120.368 119.600 -0.109 0.000 2.117 679 M HA -0.060 4.412 4.480 -0.013 0.000 0.262 679 M C 2.111 178.367 176.300 -0.074 0.000 1.065 679 M CA 1.540 56.758 55.300 -0.137 0.000 1.114 679 M CB -0.228 32.283 32.600 -0.149 0.000 1.361 679 M HN 0.095 nan 8.290 nan 0.000 0.408 680 K N 0.144 120.438 120.400 -0.176 0.000 2.063 680 K HA -0.138 4.174 4.320 -0.013 0.000 0.208 680 K C 1.701 178.193 176.600 -0.180 0.000 1.048 680 K CA 1.532 57.650 56.287 -0.281 0.000 0.928 680 K CB -0.285 31.838 32.500 -0.629 0.000 0.713 680 K HN 0.164 nan 8.250 nan 0.000 0.442 681 F N 0.764 120.643 119.950 -0.117 0.000 2.186 681 F HA -0.100 4.418 4.527 -0.014 0.000 0.299 681 F C 2.510 178.283 175.800 -0.046 0.000 1.090 681 F CA 1.097 59.051 58.000 -0.076 0.000 1.307 681 F CB -0.243 38.702 39.000 -0.092 0.000 1.019 681 F HN 0.004 nan 8.300 nan 0.000 0.489 682 M N -0.368 119.316 119.600 0.140 0.000 2.117 682 M HA -0.197 4.275 4.480 -0.013 0.000 0.262 682 M C 2.065 178.419 176.300 0.091 0.000 1.065 682 M CA 1.637 56.991 55.300 0.091 0.000 1.114 682 M CB -0.227 32.423 32.600 0.084 0.000 1.361 682 M HN 0.276 nan 8.290 nan 0.000 0.408 683 L N 0.488 121.764 121.223 0.088 0.000 2.395 683 L HA -0.022 4.310 4.340 -0.013 0.000 0.218 683 L C 1.203 178.118 176.870 0.074 0.000 1.130 683 L CA 1.358 56.255 54.840 0.095 0.000 0.826 683 L CB -0.425 41.701 42.059 0.112 0.000 0.941 683 L HN 0.310 nan 8.230 nan 0.000 0.451 684 N N 0.135 118.869 118.700 0.057 0.000 2.251 684 N HA 0.177 4.909 4.740 -0.013 0.000 0.217 684 N C 0.761 176.305 175.510 0.057 0.000 1.124 684 N CA 0.776 53.851 53.050 0.042 0.000 0.843 684 N CB 0.546 39.031 38.487 -0.004 0.000 1.024 684 N HN 0.384 nan 8.380 nan 0.000 0.501 685 G N 0.585 109.425 108.800 0.067 0.000 2.204 685 G HA2 -0.174 3.778 3.960 -0.013 0.000 0.244 685 G HA3 -0.174 3.778 3.960 -0.013 0.000 0.244 685 G C -0.108 174.865 174.900 0.121 0.000 1.062 685 G CA 0.189 45.333 45.100 0.073 0.000 0.798 685 G HN 0.522 nan 8.290 nan 0.000 0.496 686 A N -0.670 122.227 122.820 0.128 0.000 2.356 686 A HA 0.909 5.221 4.320 -0.013 0.000 0.323 686 A C -0.359 177.239 177.584 0.023 0.000 1.119 686 A CA -0.749 51.385 52.037 0.160 0.000 0.790 686 A CB 1.602 20.768 19.000 0.276 0.000 1.273 686 A HN 0.807 nan 8.150 nan 0.000 0.452 687 L N 0.753 121.960 121.223 -0.027 0.000 2.360 687 L HA 0.589 4.921 4.340 -0.013 0.000 0.271 687 L C 0.429 177.173 176.870 -0.209 0.000 1.057 687 L CA 0.408 55.128 54.840 -0.199 0.000 0.803 687 L CB 1.697 43.555 42.059 -0.335 0.000 1.207 687 L HN 0.740 nan 8.230 nan 0.000 0.445 688 T N 4.149 118.452 114.554 -0.419 0.000 2.771 688 T HA 0.510 4.852 4.350 -0.013 0.000 0.281 688 T C -0.247 174.330 174.700 -0.206 0.000 0.982 688 T CA -0.151 61.686 62.100 -0.438 0.000 0.978 688 T CB 0.831 69.259 68.868 -0.732 0.000 0.930 688 T HN 0.444 nan 8.240 nan 0.000 0.447 689 I N 3.146 123.687 120.570 -0.048 0.000 2.330 689 I HA 0.709 4.871 4.170 -0.013 0.000 0.289 689 I C 0.156 176.428 176.117 0.259 0.000 1.001 689 I CA 0.108 61.499 61.300 0.151 0.000 1.193 689 I CB 0.154 38.165 38.000 0.018 0.000 1.345 689 I HN 0.780 nan 8.210 nan 0.000 0.461 690 G N 4.075 113.094 108.800 0.365 0.000 2.606 690 G HA2 0.506 4.459 3.960 -0.013 0.000 0.300 690 G HA3 0.506 4.459 3.960 -0.013 0.000 0.300 690 G C -0.981 173.834 174.900 -0.140 0.000 1.360 690 G CA -0.271 44.957 45.100 0.212 0.000 0.783 690 G HN 0.548 nan 8.290 nan 0.000 0.484 691 T N -1.886 112.483 114.554 -0.308 0.000 2.944 691 T HA 0.554 4.896 4.350 -0.013 0.000 0.284 691 T C 0.549 175.136 174.700 -0.189 0.000 1.010 691 T CA -0.758 61.082 62.100 -0.432 0.000 1.025 691 T CB 1.423 70.035 68.868 -0.427 0.000 1.079 691 T HN 0.245 nan 8.240 nan 0.000 0.516 692 M N 2.875 122.373 119.600 -0.171 0.000 3.442 692 M HA 0.324 4.796 4.480 -0.013 0.000 0.232 692 M C -0.488 175.758 176.300 -0.089 0.000 1.508 692 M CA -0.037 55.196 55.300 -0.111 0.000 1.647 692 M CB -1.844 30.698 32.600 -0.096 0.000 1.126 692 M HN 0.727 nan 8.290 nan 0.000 0.557 693 D N -0.220 120.134 120.400 -0.077 0.000 2.527 693 D HA 0.681 5.313 4.640 -0.013 0.000 0.233 693 D C 0.772 177.051 176.300 -0.035 0.000 1.063 693 D CA 0.705 54.675 54.000 -0.049 0.000 0.880 693 D CB 1.723 42.496 40.800 -0.044 0.000 1.457 693 D HN 0.578 nan 8.370 nan 0.000 0.475 694 G N 1.623 110.413 108.800 -0.017 0.000 2.627 694 G HA2 -0.276 3.676 3.960 -0.013 0.000 0.312 694 G HA3 -0.276 3.676 3.960 -0.013 0.000 0.312 694 G C 1.054 175.948 174.900 -0.010 0.000 1.299 694 G CA 1.235 46.330 45.100 -0.008 0.000 0.989 694 G HN 1.036 nan 8.290 nan 0.000 0.547 695 A N -0.423 122.384 122.820 -0.021 0.000 2.168 695 A HA 0.087 4.399 4.320 -0.013 0.000 0.215 695 A C 2.123 179.646 177.584 -0.102 0.000 1.152 695 A CA 1.858 53.875 52.037 -0.033 0.000 0.716 695 A CB -0.459 18.503 19.000 -0.064 0.000 0.794 695 A HN 0.635 nan 8.150 nan 0.000 0.465 696 N N 0.561 119.206 118.700 -0.092 0.000 2.132 696 N HA -0.167 4.565 4.740 -0.013 0.000 0.191 696 N C 1.572 176.951 175.510 -0.218 0.000 1.015 696 N CA 1.685 54.672 53.050 -0.104 0.000 0.864 696 N CB -0.612 37.859 38.487 -0.027 0.000 1.006 696 N HN 0.299 nan 8.380 nan 0.000 0.430 697 V N 1.064 120.893 119.914 -0.141 0.000 2.343 697 V HA -0.196 3.916 4.120 -0.013 0.000 0.247 697 V C 1.918 177.937 176.094 -0.125 0.000 1.051 697 V CA 1.641 63.855 62.300 -0.144 0.000 1.036 697 V CB -0.494 31.282 31.823 -0.078 0.000 0.654 697 V HN 0.350 nan 8.190 nan 0.000 0.451 698 E N -0.568 119.616 120.200 -0.026 0.000 2.208 698 E HA -0.119 4.224 4.350 -0.013 0.000 0.193 698 E C 2.177 178.893 176.600 0.194 0.000 0.988 698 E CA 0.990 57.451 56.400 0.103 0.000 0.828 698 E CB -0.153 29.691 29.700 0.240 0.000 0.763 698 E HN 0.557 nan 8.360 nan 0.000 0.478 699 M N 0.219 119.824 119.600 0.007 0.000 2.123 699 M HA -0.066 4.406 4.480 -0.013 0.000 0.263 699 M C 2.449 178.535 176.300 -0.356 0.000 1.069 699 M CA 1.366 56.624 55.300 -0.070 0.000 1.133 699 M CB -0.058 32.392 32.600 -0.249 0.000 1.356 699 M HN 0.119 nan 8.290 nan 0.000 0.415 700 A N -0.054 122.246 122.820 -0.866 0.000 1.969 700 A HA -0.197 4.115 4.320 -0.013 0.000 0.218 700 A C 1.990 179.374 177.584 -0.333 0.000 1.169 700 A CA 1.825 53.293 52.037 -0.947 0.000 0.635 700 A CB -0.760 17.677 19.000 -0.938 0.000 0.810 700 A HN 0.587 nan 8.150 nan 0.000 0.445 701 E N -0.433 119.640 120.200 -0.213 0.000 2.150 701 E HA -0.187 4.155 4.350 -0.013 0.000 0.193 701 E C 1.614 178.184 176.600 -0.049 0.000 0.985 701 E CA 1.099 57.438 56.400 -0.101 0.000 0.814 701 E CB -0.033 29.627 29.700 -0.067 0.000 0.752 701 E HN 0.557 nan 8.360 nan 0.000 0.466 702 E N -0.115 120.081 120.200 -0.008 0.000 2.122 702 E HA -0.042 4.300 4.350 -0.013 0.000 0.190 702 E C 1.717 178.342 176.600 0.040 0.000 0.977 702 E CA 0.941 57.360 56.400 0.032 0.000 0.820 702 E CB 0.165 29.930 29.700 0.108 0.000 0.770 702 E HN 0.340 nan 8.360 nan 0.000 0.462 703 A N 0.409 123.260 122.820 0.052 0.000 2.095 703 A HA 0.381 4.693 4.320 -0.013 0.000 0.212 703 A C 0.995 178.601 177.584 0.037 0.000 1.162 703 A CA 0.973 53.058 52.037 0.080 0.000 0.753 703 A CB 0.211 19.324 19.000 0.188 0.000 0.840 703 A HN 0.208 nan 8.150 nan 0.000 0.468 704 G N -0.369 108.426 108.800 -0.008 0.000 3.225 704 G HA2 -0.085 3.867 3.960 -0.013 0.000 0.686 704 G HA3 -0.085 3.867 3.960 -0.013 0.000 0.686 704 G C -0.062 174.824 174.900 -0.024 0.000 1.105 704 G CA -0.007 45.079 45.100 -0.023 0.000 0.831 704 G HN 0.235 nan 8.290 nan 0.000 0.578 705 E N 0.803 120.972 120.200 -0.051 0.000 2.273 705 E HA -0.175 4.167 4.350 -0.013 0.000 0.198 705 E C 2.027 178.612 176.600 -0.026 0.000 1.002 705 E CA 1.757 58.132 56.400 -0.041 0.000 0.828 705 E CB 0.094 29.765 29.700 -0.050 0.000 0.747 705 E HN 0.796 nan 8.360 nan 0.000 0.491 706 E N 0.477 120.650 120.200 -0.045 0.000 2.274 706 E HA -0.078 4.264 4.350 -0.013 0.000 0.194 706 E C 1.011 177.522 176.600 -0.148 0.000 0.996 706 E CA 0.634 56.984 56.400 -0.083 0.000 0.840 706 E CB 0.063 29.726 29.700 -0.061 0.000 0.772 706 E HN 0.157 nan 8.360 nan 0.000 0.491 707 N N -0.314 118.331 118.700 -0.091 0.000 2.235 707 N HA 0.133 4.865 4.740 -0.013 0.000 0.209 707 N C -0.903 174.522 175.510 -0.143 0.000 1.122 707 N CA 0.136 53.104 53.050 -0.137 0.000 0.845 707 N CB 0.397 38.861 38.487 -0.039 0.000 1.004 707 N HN 0.043 nan 8.380 nan 0.000 0.499 708 F N -0.445 119.294 119.950 -0.352 0.000 2.588 708 F HA 0.414 4.933 4.527 -0.014 0.000 0.314 708 F C -0.715 174.854 175.800 -0.386 0.000 1.069 708 F CA -1.095 56.736 58.000 -0.282 0.000 0.931 708 F CB 1.383 40.309 39.000 -0.123 0.000 1.260 708 F HN -0.225 nan 8.300 nan 0.000 0.465 709 F N 4.778 124.750 119.950 0.037 0.000 2.318 709 F HA 0.429 4.948 4.527 -0.013 0.000 0.356 709 F C -0.420 175.516 175.800 0.226 0.000 1.109 709 F CA -0.478 57.573 58.000 0.085 0.000 1.234 709 F CB 0.026 39.021 39.000 -0.008 0.000 1.545 709 F HN 0.043 nan 8.300 nan 0.000 0.534 710 I N 3.619 124.393 120.570 0.340 0.000 2.396 710 I HA 0.389 4.551 4.170 -0.013 0.000 0.292 710 I C -0.091 176.197 176.117 0.284 0.000 0.999 710 I CA -0.380 61.075 61.300 0.258 0.000 1.310 710 I CB 0.575 38.649 38.000 0.124 0.000 1.404 710 I HN 0.354 nan 8.210 nan 0.000 0.496 711 F N 3.347 123.364 119.950 0.112 0.000 2.754 711 F HA 0.935 5.454 4.527 -0.014 0.000 0.320 711 F C 0.209 176.052 175.800 0.072 0.000 1.156 711 F CA -0.628 57.428 58.000 0.094 0.000 0.950 711 F CB 0.595 39.665 39.000 0.116 0.000 1.388 711 F HN 0.830 nan 8.300 nan 0.000 0.485 712 G N 0.823 109.701 108.800 0.129 0.000 2.796 712 G HA2 -0.152 3.800 3.960 -0.013 0.000 0.226 712 G HA3 -0.152 3.800 3.960 -0.013 0.000 0.226 712 G C -0.752 174.121 174.900 -0.046 0.000 1.381 712 G CA -0.419 44.680 45.100 -0.001 0.000 0.867 712 G HN 0.953 nan 8.290 nan 0.000 0.552 713 M N 0.565 120.147 119.600 -0.030 0.000 2.250 713 M HA 0.301 4.773 4.480 -0.013 0.000 0.325 713 M C 1.175 177.441 176.300 -0.057 0.000 1.084 713 M CA 0.114 55.402 55.300 -0.019 0.000 1.161 713 M CB 0.410 33.006 32.600 -0.007 0.000 1.481 713 M HN 0.571 nan 8.290 nan 0.000 0.449 714 R N 1.177 121.656 120.500 -0.034 0.000 2.705 714 R HA 0.362 4.695 4.340 -0.013 0.000 0.246 714 R C 1.121 177.401 176.300 -0.033 0.000 1.142 714 R CA -0.714 55.360 56.100 -0.044 0.000 1.114 714 R CB -0.113 30.168 30.300 -0.032 0.000 1.256 714 R HN 0.564 nan 8.270 nan 0.000 0.536 715 V N 1.553 121.447 119.914 -0.034 0.000 2.282 715 V HA -0.292 3.820 4.120 -0.013 0.000 0.249 715 V C 1.814 177.897 176.094 -0.019 0.000 1.057 715 V CA 2.162 64.445 62.300 -0.028 0.000 1.032 715 V CB -0.487 31.319 31.823 -0.030 0.000 0.645 715 V HN 0.610 nan 8.190 nan 0.000 0.447 716 E N 0.347 120.538 120.200 -0.016 0.000 2.130 716 E HA -0.212 4.130 4.350 -0.013 0.000 0.196 716 E C 1.892 178.494 176.600 0.003 0.000 0.998 716 E CA 1.636 58.032 56.400 -0.007 0.000 0.806 716 E CB -0.590 29.107 29.700 -0.006 0.000 0.738 716 E HN 0.661 nan 8.360 nan 0.000 0.459 717 D N 0.048 120.452 120.400 0.007 0.000 2.149 717 D HA -0.067 4.565 4.640 -0.013 0.000 0.201 717 D C 1.993 178.307 176.300 0.024 0.000 0.972 717 D CA 0.877 54.891 54.000 0.024 0.000 0.835 717 D CB 0.066 40.885 40.800 0.031 0.000 0.966 717 D HN 0.067 nan 8.370 nan 0.000 0.476 718 V N 2.027 121.943 119.914 0.003 0.000 2.295 718 V HA -0.214 3.898 4.120 -0.013 0.000 0.246 718 V C 2.010 178.102 176.094 -0.002 0.000 1.049 718 V CA 1.711 64.005 62.300 -0.011 0.000 1.024 718 V CB -0.416 31.391 31.823 -0.028 0.000 0.648 718 V HN 0.032 nan 8.190 nan 0.000 0.447 719 D N -0.375 120.024 120.400 -0.003 0.000 2.144 719 D HA -0.149 4.483 4.640 -0.013 0.000 0.199 719 D C 2.363 178.673 176.300 0.017 0.000 0.984 719 D CA 1.126 55.127 54.000 0.001 0.000 0.834 719 D CB -0.228 40.568 40.800 -0.006 0.000 0.955 719 D HN 0.309 nan 8.370 nan 0.000 0.465 720 R N 0.140 120.655 120.500 0.025 0.000 2.081 720 R HA -0.010 4.322 4.340 -0.013 0.000 0.235 720 R C 2.432 178.766 176.300 0.056 0.000 1.131 720 R CA 0.525 56.648 56.100 0.037 0.000 0.960 720 R CB -0.303 30.022 30.300 0.041 0.000 0.856 720 R HN 0.173 nan 8.270 nan 0.000 0.436 721 L N 0.470 121.735 121.223 0.070 0.000 2.141 721 L HA -0.200 4.133 4.340 -0.013 0.000 0.209 721 L C 1.298 178.232 176.870 0.107 0.000 1.094 721 L CA 1.390 56.298 54.840 0.113 0.000 0.763 721 L CB -0.241 41.897 42.059 0.133 0.000 0.908 721 L HN 0.282 nan 8.230 nan 0.000 0.437 722 D N -0.931 119.507 120.400 0.062 0.000 2.149 722 D HA -0.146 4.486 4.640 -0.013 0.000 0.201 722 D C 2.268 178.597 176.300 0.049 0.000 0.972 722 D CA 0.705 54.736 54.000 0.051 0.000 0.835 722 D CB 0.100 40.908 40.800 0.014 0.000 0.966 722 D HN 0.340 nan 8.370 nan 0.000 0.476 723 Q N 0.682 120.506 119.800 0.040 0.000 2.030 723 Q HA -0.132 4.200 4.340 -0.013 0.000 0.204 723 Q C 2.275 178.301 176.000 0.044 0.000 0.986 723 Q CA 0.918 56.742 55.803 0.034 0.000 0.843 723 Q CB -0.491 28.265 28.738 0.029 0.000 0.904 723 Q HN 0.298 nan 8.270 nan 0.000 0.420 724 R N 0.210 120.743 120.500 0.056 0.000 2.080 724 R HA -0.084 4.248 4.340 -0.013 0.000 0.236 724 R C 0.253 176.594 176.300 0.068 0.000 1.137 724 R CA 1.329 57.466 56.100 0.061 0.000 0.943 724 R CB -0.202 30.144 30.300 0.077 0.000 0.846 724 R HN 0.434 nan 8.270 nan 0.000 0.431 725 G N -0.580 108.277 108.800 0.095 0.000 3.326 725 G HA2 -0.211 3.741 3.960 -0.013 0.000 0.681 725 G HA3 -0.211 3.741 3.960 -0.013 0.000 0.681 725 G C -1.420 173.578 174.900 0.164 0.000 1.255 725 G CA -0.470 44.694 45.100 0.106 0.000 0.976 725 G HN 0.307 nan 8.290 nan 0.000 0.563 726 Y N 3.907 124.242 120.300 0.059 0.000 2.393 726 Y HA 0.593 5.136 4.550 -0.013 0.000 0.338 726 Y C 0.280 176.240 175.900 0.100 0.000 1.029 726 Y CA -0.934 57.222 58.100 0.093 0.000 1.239 726 Y CB 0.994 39.490 38.460 0.060 0.000 1.170 726 Y HN 0.567 nan 8.280 nan 0.000 0.515 727 N N 5.166 123.636 118.700 -0.384 0.000 2.524 727 N HA 0.286 5.018 4.740 -0.013 0.000 0.261 727 N C 0.043 175.283 175.510 -0.450 0.000 0.998 727 N CA 0.273 53.112 53.050 -0.352 0.000 0.915 727 N CB 1.653 40.064 38.487 -0.127 0.000 1.187 727 N HN 0.889 nan 8.380 nan 0.000 0.507 728 A N 3.113 125.601 122.820 -0.554 0.000 2.019 728 A HA -0.188 4.124 4.320 -0.013 0.000 0.219 728 A C 1.926 179.653 177.584 0.237 0.000 1.164 728 A CA 1.256 53.226 52.037 -0.111 0.000 0.644 728 A CB -0.265 18.624 19.000 -0.185 0.000 0.805 728 A HN 0.762 nan 8.150 nan 0.000 0.449 729 Q N 0.233 120.060 119.800 0.044 0.000 2.135 729 Q HA -0.216 4.116 4.340 -0.013 0.000 0.204 729 Q C 1.879 177.946 176.000 0.112 0.000 0.981 729 Q CA 2.171 58.016 55.803 0.069 0.000 0.856 729 Q CB -0.307 28.426 28.738 -0.009 0.000 0.902 729 Q HN 0.760 nan 8.270 nan 0.000 0.425 730 E N -1.227 118.974 120.200 0.001 0.000 2.049 730 E HA -0.244 4.098 4.350 -0.013 0.000 0.198 730 E C 1.667 178.183 176.600 -0.140 0.000 1.007 730 E CA 1.626 57.948 56.400 -0.129 0.000 0.809 730 E CB -0.226 29.284 29.700 -0.317 0.000 0.749 730 E HN 0.547 nan 8.360 nan 0.000 0.450 731 Y N -1.097 119.257 120.300 0.089 0.000 2.224 731 Y HA -0.237 4.305 4.550 -0.013 0.000 0.289 731 Y C 2.185 178.063 175.900 -0.036 0.000 1.146 731 Y CA 1.590 59.729 58.100 0.064 0.000 1.182 731 Y CB -0.651 37.903 38.460 0.156 0.000 0.983 731 Y HN 0.286 nan 8.280 nan 0.000 0.524 732 Y N 0.990 121.295 120.300 0.008 0.000 2.242 732 Y HA -0.216 4.326 4.550 -0.013 0.000 0.291 732 Y C 1.849 177.701 175.900 -0.080 0.000 1.137 732 Y CA 1.634 59.661 58.100 -0.122 0.000 1.181 732 Y CB -0.310 38.126 38.460 -0.039 0.000 0.989 732 Y HN 0.049 nan 8.280 nan 0.000 0.527 733 D N -0.078 120.390 120.400 0.113 0.000 2.123 733 D HA -0.110 4.522 4.640 -0.013 0.000 0.200 733 D C 1.883 178.146 176.300 -0.063 0.000 0.976 733 D CA 1.247 55.264 54.000 0.029 0.000 0.831 733 D CB -0.094 40.743 40.800 0.061 0.000 0.974 733 D HN 0.475 nan 8.370 nan 0.000 0.469 734 R N 0.011 120.476 120.500 -0.058 0.000 2.300 734 R HA 0.213 4.545 4.340 -0.013 0.000 0.199 734 R C 0.385 176.657 176.300 -0.046 0.000 0.920 734 R CA 0.121 56.189 56.100 -0.052 0.000 1.046 734 R CB 0.675 30.946 30.300 -0.048 0.000 0.984 734 R HN 0.173 nan 8.270 nan 0.000 0.493 735 I N 2.314 122.835 120.570 -0.082 0.000 2.437 735 I HA 0.215 4.377 4.170 -0.013 0.000 0.279 735 I C -1.882 174.135 176.117 -0.166 0.000 1.028 735 I CA -2.419 58.838 61.300 -0.071 0.000 1.142 735 I CB 2.357 40.346 38.000 -0.018 0.000 1.266 735 I HN -0.262 nan 8.210 nan 0.000 0.461 736 P HA -0.151 nan 4.420 nan 0.000 0.215 736 P C 1.204 178.410 177.300 -0.156 0.000 1.153 736 P CA 1.310 64.315 63.100 -0.157 0.000 0.853 736 P CB 0.308 31.949 31.700 -0.098 0.000 0.788 737 E N -0.905 119.243 120.200 -0.086 0.000 2.110 737 E HA -0.174 4.168 4.350 -0.013 0.000 0.193 737 E C 1.869 178.386 176.600 -0.139 0.000 0.988 737 E CA 0.788 57.158 56.400 -0.051 0.000 0.804 737 E CB -0.620 29.120 29.700 0.068 0.000 0.745 737 E HN 0.104 nan 8.360 nan 0.000 0.458 738 L N 1.396 122.455 121.223 -0.273 0.000 2.027 738 L HA -0.152 4.180 4.340 -0.013 0.000 0.206 738 L C 2.365 178.972 176.870 -0.439 0.000 1.074 738 L CA 1.700 56.209 54.840 -0.551 0.000 0.745 738 L CB -0.449 41.153 42.059 -0.763 0.000 0.898 738 L HN -0.070 nan 8.230 nan 0.000 0.433 739 R N -0.796 119.413 120.500 -0.484 0.000 2.083 739 R HA -0.250 4.082 4.340 -0.013 0.000 0.237 739 R C 2.400 178.535 176.300 -0.275 0.000 1.137 739 R CA 2.043 57.772 56.100 -0.619 0.000 0.951 739 R CB -0.402 29.451 30.300 -0.746 0.000 0.851 739 R HN 0.631 nan 8.270 nan 0.000 0.434 740 Q N 0.397 120.073 119.800 -0.207 0.000 2.135 740 Q HA -0.196 4.136 4.340 -0.013 0.000 0.204 740 Q C 2.037 177.990 176.000 -0.078 0.000 0.981 740 Q CA 1.920 57.647 55.803 -0.126 0.000 0.856 740 Q CB -0.105 28.562 28.738 -0.118 0.000 0.902 740 Q HN 0.487 nan 8.270 nan 0.000 0.425 741 I N 0.025 120.551 120.570 -0.072 0.000 2.202 741 I HA -0.274 3.888 4.170 -0.013 0.000 0.242 741 I C 2.148 178.301 176.117 0.059 0.000 1.091 741 I CA 0.795 62.098 61.300 0.005 0.000 1.368 741 I CB -0.170 37.814 38.000 -0.026 0.000 1.058 741 I HN 0.214 nan 8.210 nan 0.000 0.410 742 I N 0.746 121.343 120.570 0.045 0.000 2.264 742 I HA -0.286 3.877 4.170 -0.013 0.000 0.248 742 I C 2.336 178.553 176.117 0.166 0.000 1.111 742 I CA 1.648 63.036 61.300 0.147 0.000 1.382 742 I CB -0.346 37.815 38.000 0.268 0.000 1.060 742 I HN 0.211 nan 8.210 nan 0.000 0.418 743 E N -0.454 119.825 120.200 0.132 0.000 2.285 743 E HA -0.195 4.147 4.350 -0.013 0.000 0.194 743 E C 2.066 178.728 176.600 0.103 0.000 0.997 743 E CA 0.467 56.938 56.400 0.119 0.000 0.845 743 E CB -0.051 29.699 29.700 0.084 0.000 0.782 743 E HN 0.587 nan 8.360 nan 0.000 0.491 744 Q N 0.473 120.328 119.800 0.093 0.000 2.083 744 Q HA -0.050 4.282 4.340 -0.013 0.000 0.198 744 Q C 2.247 178.421 176.000 0.290 0.000 0.969 744 Q CA 0.772 56.640 55.803 0.109 0.000 0.838 744 Q CB 0.156 28.911 28.738 0.028 0.000 0.900 744 Q HN 0.276 nan 8.270 nan 0.000 0.436 745 L N -0.387 121.021 121.223 0.309 0.000 2.056 745 L HA -0.158 4.174 4.340 -0.013 0.000 0.207 745 L C 2.372 179.421 176.870 0.298 0.000 1.078 745 L CA 0.855 55.896 54.840 0.334 0.000 0.749 745 L CB -0.302 41.876 42.059 0.198 0.000 0.901 745 L HN 0.130 nan 8.230 nan 0.000 0.433 746 S N -0.469 115.363 115.700 0.220 0.000 2.423 746 S HA -0.113 4.349 4.470 -0.013 0.000 0.231 746 S C 1.972 176.669 174.600 0.162 0.000 1.014 746 S CA 1.406 59.714 58.200 0.180 0.000 0.965 746 S CB -0.071 63.215 63.200 0.144 0.000 0.785 746 S HN 0.590 nan 8.310 nan 0.000 0.495 747 S N -0.218 115.580 115.700 0.164 0.000 2.556 747 S HA 0.415 4.877 4.470 -0.013 0.000 0.216 747 S C 1.313 176.002 174.600 0.147 0.000 0.970 747 S CA 0.570 58.852 58.200 0.136 0.000 0.912 747 S CB 0.357 63.625 63.200 0.113 0.000 0.790 747 S HN 0.666 nan 8.310 nan 0.000 0.504 748 G N 0.994 109.912 108.800 0.197 0.000 2.141 748 G HA2 -0.318 3.634 3.960 -0.013 0.000 0.231 748 G HA3 -0.318 3.634 3.960 -0.013 0.000 0.231 748 G C 0.266 175.255 174.900 0.147 0.000 0.984 748 G CA 0.137 45.344 45.100 0.178 0.000 0.660 748 G HN 0.561 nan 8.290 nan 0.000 0.525 749 F N 0.491 120.436 119.950 -0.008 0.000 2.192 749 F HA 0.124 4.643 4.527 -0.013 0.000 0.301 749 F C 1.848 177.456 175.800 -0.320 0.000 1.079 749 F CA 2.139 60.017 58.000 -0.204 0.000 1.303 749 F CB -0.119 38.673 39.000 -0.346 0.000 1.024 749 F HN 0.165 nan 8.300 nan 0.000 0.494 750 F N -0.319 119.683 119.950 0.088 0.000 2.727 750 F HA 0.207 4.726 4.527 -0.013 0.000 0.302 750 F C 0.761 176.623 175.800 0.104 0.000 1.097 750 F CA 0.361 58.361 58.000 0.001 0.000 1.330 750 F CB -0.141 38.887 39.000 0.047 0.000 1.084 750 F HN -0.008 nan 8.300 nan 0.000 0.578 751 S N -1.565 114.281 115.700 0.243 0.000 2.386 751 S HA 0.340 4.802 4.470 -0.013 0.000 0.152 751 S C -2.477 172.154 174.600 0.052 0.000 1.511 751 S CA -1.117 57.170 58.200 0.145 0.000 1.246 751 S CB 1.113 64.380 63.200 0.112 0.000 1.338 751 S HN -0.197 nan 8.310 nan 0.000 0.409 752 P HA -0.127 nan 4.420 nan 0.000 0.213 752 P C 1.221 178.520 177.300 -0.001 0.000 1.170 752 P CA 1.466 64.557 63.100 -0.014 0.000 0.898 752 P CB 0.075 31.746 31.700 -0.047 0.000 0.787 753 K N -0.849 119.549 120.400 -0.003 0.000 2.147 753 K HA -0.107 4.205 4.320 -0.013 0.000 0.205 753 K C 0.627 177.229 176.600 0.003 0.000 1.049 753 K CA 1.075 57.362 56.287 0.000 0.000 0.936 753 K CB -0.288 32.214 32.500 0.002 0.000 0.722 753 K HN 0.356 nan 8.250 nan 0.000 0.446 754 Q N -0.265 119.534 119.800 -0.002 0.000 2.798 754 Q HA 0.162 4.494 4.340 -0.013 0.000 0.250 754 Q C -2.353 173.641 176.000 -0.010 0.000 1.006 754 Q CA -1.633 54.163 55.803 -0.011 0.000 0.759 754 Q CB 1.595 30.318 28.738 -0.026 0.000 1.201 754 Q HN -0.091 nan 8.270 nan 0.000 0.486 755 P HA -0.227 nan 4.420 nan 0.000 0.218 755 P C 0.576 177.914 177.300 0.065 0.000 1.146 755 P CA 1.398 64.530 63.100 0.054 0.000 0.813 755 P CB 0.229 31.960 31.700 0.052 0.000 0.778 756 D N -1.145 119.276 120.400 0.034 0.000 2.368 756 D HA -0.009 4.623 4.640 -0.013 0.000 0.218 756 D C 1.613 177.915 176.300 0.003 0.000 1.112 756 D CA -0.230 53.797 54.000 0.045 0.000 0.834 756 D CB -0.468 40.358 40.800 0.044 0.000 0.953 756 D HN 0.018 nan 8.370 nan 0.000 0.505 757 L N 0.218 121.380 121.223 -0.101 0.000 2.043 757 L HA -0.111 4.222 4.340 -0.013 0.000 0.212 757 L C 0.870 177.527 176.870 -0.355 0.000 1.075 757 L CA 1.668 56.329 54.840 -0.298 0.000 0.752 757 L CB -0.655 41.049 42.059 -0.592 0.000 0.891 757 L HN -0.071 nan 8.230 nan 0.000 0.432 758 F N -0.209 119.797 119.950 0.093 0.000 2.819 758 F HA 0.202 4.721 4.527 -0.013 0.000 0.294 758 F C 1.711 177.565 175.800 0.090 0.000 1.166 758 F CA -0.106 57.940 58.000 0.078 0.000 1.374 758 F CB -0.753 38.282 39.000 0.057 0.000 0.956 758 F HN 0.161 nan 8.300 nan 0.000 0.509 759 K N -1.001 119.519 120.400 0.200 0.000 2.148 759 K HA -0.110 4.202 4.320 -0.013 0.000 0.204 759 K C 1.029 177.735 176.600 0.177 0.000 1.050 759 K CA 1.611 57.999 56.287 0.170 0.000 0.942 759 K CB -0.131 32.444 32.500 0.126 0.000 0.724 759 K HN 0.010 nan 8.250 nan 0.000 0.446 760 D N 1.340 121.858 120.400 0.196 0.000 2.117 760 D HA -0.070 4.563 4.640 -0.013 0.000 0.198 760 D C 1.985 178.400 176.300 0.193 0.000 0.982 760 D CA 1.064 55.192 54.000 0.213 0.000 0.828 760 D CB -0.093 40.869 40.800 0.269 0.000 0.967 760 D HN 0.275 nan 8.370 nan 0.000 0.464 761 I N 0.413 121.093 120.570 0.184 0.000 2.202 761 I HA -0.221 3.941 4.170 -0.013 0.000 0.242 761 I C 2.447 178.623 176.117 0.099 0.000 1.091 761 I CA 0.617 61.994 61.300 0.129 0.000 1.368 761 I CB -0.218 37.850 38.000 0.114 0.000 1.058 761 I HN -0.123 nan 8.210 nan 0.000 0.410 762 V N 0.921 120.908 119.914 0.122 0.000 2.295 762 V HA -0.332 3.781 4.120 -0.013 0.000 0.246 762 V C 2.167 178.278 176.094 0.027 0.000 1.049 762 V CA 2.539 64.893 62.300 0.091 0.000 1.024 762 V CB -1.055 30.841 31.823 0.121 0.000 0.648 762 V HN 0.498 nan 8.190 nan 0.000 0.447 763 N N -0.493 118.256 118.700 0.081 0.000 2.061 763 N HA -0.259 4.473 4.740 -0.013 0.000 0.193 763 N C 1.984 177.473 175.510 -0.035 0.000 1.030 763 N CA 1.844 54.953 53.050 0.098 0.000 0.856 763 N CB -0.172 38.438 38.487 0.205 0.000 1.023 763 N HN 0.338 nan 8.380 nan 0.000 0.424 764 M N 0.232 119.871 119.600 0.065 0.000 2.086 764 M HA -0.119 4.353 4.480 -0.013 0.000 0.261 764 M C 1.622 177.858 176.300 -0.106 0.000 1.067 764 M CA 1.305 56.658 55.300 0.088 0.000 1.116 764 M CB -0.640 32.083 32.600 0.206 0.000 1.348 764 M HN 0.244 nan 8.290 nan 0.000 0.407 765 L N 0.703 121.841 121.223 -0.141 0.000 2.042 765 L HA -0.208 4.124 4.340 -0.013 0.000 0.210 765 L C 2.415 178.977 176.870 -0.514 0.000 1.076 765 L CA 1.665 56.302 54.840 -0.338 0.000 0.749 765 L CB -1.055 40.848 42.059 -0.260 0.000 0.893 765 L HN 0.358 nan 8.230 nan 0.000 0.432 766 M N -2.086 117.253 119.600 -0.435 0.000 2.334 766 M HA -0.043 4.429 4.480 -0.013 0.000 0.266 766 M C 1.780 177.624 176.300 -0.760 0.000 1.082 766 M CA 1.240 56.187 55.300 -0.589 0.000 1.141 766 M CB -0.677 31.469 32.600 -0.757 0.000 1.380 766 M HN 0.331 nan 8.290 nan 0.000 0.440 767 H N -1.824 117.033 119.070 -0.355 0.000 3.017 767 H HA 0.212 4.761 4.556 -0.013 0.000 0.255 767 H C 0.103 175.173 175.328 -0.431 0.000 0.990 767 H CA 0.586 56.365 56.048 -0.447 0.000 1.205 767 H CB 0.266 29.694 29.762 -0.557 0.000 1.460 767 H HN 0.544 nan 8.280 nan 0.000 0.478 768 H N -0.314 118.816 119.070 0.100 0.000 2.716 768 H HA 0.201 4.749 4.556 -0.013 0.000 0.230 768 H C -0.838 174.515 175.328 0.042 0.000 1.401 768 H CA -0.502 55.593 56.048 0.078 0.000 1.168 768 H CB 0.514 30.326 29.762 0.084 0.000 1.935 768 H HN -0.068 nan 8.280 nan 0.000 0.538 769 D N 1.423 121.870 120.400 0.079 0.000 2.352 769 D HA 0.101 4.733 4.640 -0.013 0.000 0.245 769 D C 0.928 177.180 176.300 -0.079 0.000 1.224 769 D CA -0.187 53.828 54.000 0.025 0.000 0.879 769 D CB 0.698 41.487 40.800 -0.018 0.000 1.057 769 D HN 0.402 nan 8.370 nan 0.000 0.491 770 R N 2.429 122.797 120.500 -0.220 0.000 2.236 770 R HA -0.002 4.330 4.340 -0.013 0.000 0.208 770 R C 0.494 176.245 176.300 -0.914 0.000 1.036 770 R CA 0.708 56.447 56.100 -0.603 0.000 1.001 770 R CB 0.226 29.997 30.300 -0.882 0.000 0.896 770 R HN 0.397 nan 8.270 nan 0.000 0.464 771 F N 1.614 121.520 119.950 -0.072 0.000 2.791 771 F HA 0.205 4.724 4.527 -0.013 0.000 0.308 771 F C -0.046 175.628 175.800 -0.210 0.000 1.138 771 F CA -0.886 57.054 58.000 -0.100 0.000 1.294 771 F CB 0.176 39.173 39.000 -0.004 0.000 0.975 771 F HN -0.196 nan 8.300 nan 0.000 0.512 772 K N -0.744 119.439 120.400 -0.362 0.000 4.226 772 K HA -0.208 4.104 4.320 -0.013 0.000 0.274 772 K C 0.736 177.196 176.600 -0.233 0.000 0.782 772 K CA 0.205 56.097 56.287 -0.657 0.000 0.692 772 K CB -1.739 30.139 32.500 -1.037 0.000 1.843 772 K HN 0.308 nan 8.250 nan 0.000 0.420 773 V N 1.003 120.861 119.914 -0.094 0.000 2.261 773 V HA -0.267 3.845 4.120 -0.013 0.000 0.246 773 V C 2.146 178.360 176.094 0.199 0.000 1.047 773 V CA 1.977 64.303 62.300 0.043 0.000 1.015 773 V CB -0.593 31.257 31.823 0.045 0.000 0.642 773 V HN 0.522 nan 8.190 nan 0.000 0.446 774 F N 1.006 120.963 119.950 0.012 0.000 2.154 774 F HA -0.203 4.316 4.527 -0.013 0.000 0.301 774 F C 2.521 178.140 175.800 -0.302 0.000 1.087 774 F CA 1.083 59.041 58.000 -0.069 0.000 1.274 774 F CB -1.647 37.331 39.000 -0.036 0.000 1.009 774 F HN 0.174 nan 8.300 nan 0.000 0.485 775 A N -0.567 122.102 122.820 -0.252 0.000 2.024 775 A HA -0.189 4.123 4.320 -0.013 0.000 0.220 775 A C 1.681 179.254 177.584 -0.019 0.000 1.164 775 A CA 2.079 53.880 52.037 -0.393 0.000 0.643 775 A CB -0.571 18.317 19.000 -0.186 0.000 0.806 775 A HN 0.259 nan 8.150 nan 0.000 0.451 776 D N -3.045 117.412 120.400 0.094 0.000 2.398 776 D HA 0.112 4.744 4.640 -0.013 0.000 0.210 776 D C 1.123 177.594 176.300 0.285 0.000 1.094 776 D CA -0.085 54.046 54.000 0.218 0.000 0.839 776 D CB -0.113 40.827 40.800 0.233 0.000 0.963 776 D HN 0.549 nan 8.370 nan 0.000 0.506 777 Y N 2.090 122.474 120.300 0.140 0.000 2.070 777 Y HA -0.210 4.332 4.550 -0.013 0.000 0.280 777 Y C 2.052 178.037 175.900 0.142 0.000 1.148 777 Y CA 1.891 60.085 58.100 0.156 0.000 1.125 777 Y CB 0.127 38.654 38.460 0.112 0.000 0.975 777 Y HN -0.103 nan 8.280 nan 0.000 0.492 778 E N -0.024 120.268 120.200 0.153 0.000 2.049 778 E HA -0.283 4.059 4.350 -0.013 0.000 0.198 778 E C 2.201 178.778 176.600 -0.038 0.000 1.007 778 E CA 1.712 58.123 56.400 0.019 0.000 0.809 778 E CB -0.249 29.552 29.700 0.168 0.000 0.749 778 E HN 0.624 nan 8.360 nan 0.000 0.450 779 E N -0.441 119.811 120.200 0.086 0.000 2.204 779 E HA -0.186 4.156 4.350 -0.013 0.000 0.194 779 E C 1.819 178.413 176.600 -0.009 0.000 0.989 779 E CA 0.491 56.960 56.400 0.115 0.000 0.824 779 E CB -0.015 29.844 29.700 0.265 0.000 0.756 779 E HN 0.246 nan 8.360 nan 0.000 0.477 780 Y N 0.535 120.638 120.300 -0.328 0.000 2.184 780 Y HA -0.180 4.362 4.550 -0.013 0.000 0.290 780 Y C 2.150 177.641 175.900 -0.681 0.000 1.129 780 Y CA 1.480 59.059 58.100 -0.870 0.000 1.144 780 Y CB -0.507 37.516 38.460 -0.728 0.000 0.995 780 Y HN -0.027 nan 8.280 nan 0.000 0.513 781 V N -0.650 118.876 119.914 -0.648 0.000 2.548 781 V HA -0.102 4.010 4.120 -0.013 0.000 0.249 781 V C 2.176 178.030 176.094 -0.399 0.000 1.055 781 V CA 2.048 63.983 62.300 -0.607 0.000 1.065 781 V CB -0.575 30.984 31.823 -0.440 0.000 0.681 781 V HN 0.192 nan 8.190 nan 0.000 0.462 782 K N 0.113 120.344 120.400 -0.282 0.000 2.026 782 K HA -0.119 4.193 4.320 -0.013 0.000 0.208 782 K C 2.285 178.790 176.600 -0.158 0.000 1.048 782 K CA 2.039 58.233 56.287 -0.155 0.000 0.929 782 K CB -1.307 31.150 32.500 -0.071 0.000 0.713 782 K HN 0.676 nan 8.250 nan 0.000 0.439 783 C N 0.806 119.983 119.300 -0.205 0.000 2.440 783 C HA -0.061 4.391 4.460 -0.013 0.000 0.278 783 C C 2.372 177.187 174.990 -0.292 0.000 1.295 783 C CA 0.648 59.577 59.018 -0.149 0.000 1.738 783 C CB -0.698 26.980 27.740 -0.104 0.000 1.987 783 C HN 0.448 nan 8.230 nan 0.000 0.492 784 Q N 0.387 119.871 119.800 -0.527 0.000 2.224 784 Q HA -0.152 4.180 4.340 -0.013 0.000 0.203 784 Q C 1.959 177.760 176.000 -0.332 0.000 0.970 784 Q CA 1.474 56.922 55.803 -0.590 0.000 0.865 784 Q CB -0.309 27.845 28.738 -0.974 0.000 0.922 784 Q HN 0.760 nan 8.270 nan 0.000 0.445 785 E N 0.199 120.263 120.200 -0.226 0.000 2.106 785 E HA -0.110 4.232 4.350 -0.013 0.000 0.192 785 E C 2.043 178.607 176.600 -0.060 0.000 0.984 785 E CA 0.500 56.832 56.400 -0.114 0.000 0.806 785 E CB 0.081 29.733 29.700 -0.080 0.000 0.750 785 E HN 0.231 nan 8.360 nan 0.000 0.458 786 R N 0.427 120.903 120.500 -0.040 0.000 2.120 786 R HA -0.111 4.221 4.340 -0.013 0.000 0.234 786 R C 2.636 178.995 176.300 0.097 0.000 1.123 786 R CA 1.430 57.582 56.100 0.087 0.000 0.975 786 R CB -0.494 29.928 30.300 0.203 0.000 0.866 786 R HN 0.229 nan 8.270 nan 0.000 0.446 787 V N -1.846 117.932 119.914 -0.226 0.000 2.591 787 V HA -0.083 4.030 4.120 -0.013 0.000 0.249 787 V C 1.954 178.084 176.094 0.060 0.000 1.053 787 V CA 1.734 63.821 62.300 -0.356 0.000 1.068 787 V CB -0.028 31.300 31.823 -0.823 0.000 0.689 787 V HN 0.058 nan 8.190 nan 0.000 0.462 788 S N 0.839 116.514 115.700 -0.041 0.000 2.383 788 S HA 0.029 4.491 4.470 -0.013 0.000 0.227 788 S C 2.253 176.914 174.600 0.102 0.000 1.026 788 S CA 1.543 59.739 58.200 -0.007 0.000 0.981 788 S CB -0.531 62.635 63.200 -0.058 0.000 0.818 788 S HN 0.942 nan 8.310 nan 0.000 0.472 789 A N 1.299 124.188 122.820 0.115 0.000 1.877 789 A HA 0.020 4.332 4.320 -0.013 0.000 0.216 789 A C 2.055 179.761 177.584 0.203 0.000 1.186 789 A CA 1.026 53.147 52.037 0.141 0.000 0.620 789 A CB -0.675 18.399 19.000 0.124 0.000 0.822 789 A HN 0.466 nan 8.150 nan 0.000 0.443 790 L N -1.914 119.501 121.223 0.319 0.000 2.217 790 L HA -0.115 4.217 4.340 -0.013 0.000 0.211 790 L C 2.359 179.539 176.870 0.517 0.000 1.107 790 L CA 1.523 56.633 54.840 0.451 0.000 0.783 790 L CB -0.410 42.026 42.059 0.630 0.000 0.919 790 L HN 0.607 nan 8.230 nan 0.000 0.442 791 Y N 0.872 121.269 120.300 0.162 0.000 2.352 791 Y HA -0.223 4.319 4.550 -0.012 0.000 0.292 791 Y C 2.416 178.218 175.900 -0.164 0.000 1.136 791 Y CA 1.466 59.344 58.100 -0.370 0.000 1.227 791 Y CB -0.004 38.040 38.460 -0.694 0.000 0.991 791 Y HN 0.030 nan 8.280 nan 0.000 0.545 792 K N 0.024 120.439 120.400 0.025 0.000 2.442 792 K HA -0.117 4.195 4.320 -0.013 0.000 0.198 792 K C 0.343 176.920 176.600 -0.039 0.000 1.042 792 K CA 0.675 56.967 56.287 0.007 0.000 0.958 792 K CB -0.072 32.482 32.500 0.091 0.000 0.766 792 K HN 0.043 nan 8.250 nan 0.000 0.474 793 N N 0.334 119.031 118.700 -0.005 0.000 2.976 793 N HA 0.139 4.871 4.740 -0.013 0.000 0.255 793 N C -2.441 173.076 175.510 0.012 0.000 1.312 793 N CA -2.234 50.825 53.050 0.015 0.000 0.897 793 N CB 1.019 39.551 38.487 0.075 0.000 1.184 793 N HN -0.185 nan 8.380 nan 0.000 0.497 794 P HA -0.245 nan 4.420 nan 0.000 0.219 794 P C 1.414 178.732 177.300 0.029 0.000 1.161 794 P CA 1.408 64.442 63.100 -0.110 0.000 0.909 794 P CB 0.322 31.928 31.700 -0.156 0.000 0.793 795 R N -0.371 120.143 120.500 0.023 0.000 2.091 795 R HA -0.175 4.157 4.340 -0.013 0.000 0.238 795 R C 2.007 178.353 176.300 0.076 0.000 1.136 795 R CA 1.470 57.596 56.100 0.043 0.000 0.959 795 R CB -0.324 29.991 30.300 0.026 0.000 0.856 795 R HN 0.127 nan 8.270 nan 0.000 0.437 796 E N -0.325 119.931 120.200 0.094 0.000 2.158 796 E HA -0.197 4.145 4.350 -0.013 0.000 0.191 796 E C 1.552 178.235 176.600 0.139 0.000 0.982 796 E CA 0.543 57.002 56.400 0.099 0.000 0.823 796 E CB -0.392 29.364 29.700 0.095 0.000 0.766 796 E HN 0.501 nan 8.360 nan 0.000 0.468 797 W N 2.109 123.413 121.300 0.006 0.000 2.355 797 W HA -0.172 4.480 4.660 -0.014 0.000 0.309 797 W C 1.580 178.112 176.519 0.023 0.000 1.206 797 W CA 2.061 59.426 57.345 0.033 0.000 1.284 797 W CB -0.330 29.126 29.460 -0.006 0.000 1.145 797 W HN 0.035 nan 8.180 nan 0.000 0.502 798 T N 1.040 115.746 114.554 0.252 0.000 2.788 798 T HA -0.170 4.172 4.350 -0.013 0.000 0.268 798 T C 1.838 176.566 174.700 0.046 0.000 1.044 798 T CA 1.541 63.721 62.100 0.133 0.000 1.139 798 T CB -0.291 68.632 68.868 0.091 0.000 0.867 798 T HN 0.174 nan 8.240 nan 0.000 0.454 799 R N 0.319 120.847 120.500 0.046 0.000 2.092 799 R HA 0.145 4.477 4.340 -0.013 0.000 0.231 799 R C 2.470 178.768 176.300 -0.004 0.000 1.119 799 R CA 1.031 57.153 56.100 0.037 0.000 0.970 799 R CB -0.289 30.036 30.300 0.042 0.000 0.864 799 R HN 0.364 nan 8.270 nan 0.000 0.440 800 M N 0.401 119.962 119.600 -0.065 0.000 2.254 800 M HA -0.107 4.365 4.480 -0.013 0.000 0.265 800 M C 1.851 178.067 176.300 -0.141 0.000 1.066 800 M CA 1.178 56.399 55.300 -0.132 0.000 1.123 800 M CB 0.276 32.731 32.600 -0.241 0.000 1.388 800 M HN -0.028 nan 8.290 nan 0.000 0.425 801 V N 0.841 120.666 119.914 -0.149 0.000 2.295 801 V HA -0.298 3.814 4.120 -0.013 0.000 0.246 801 V C 2.170 178.256 176.094 -0.013 0.000 1.049 801 V CA 1.940 64.181 62.300 -0.098 0.000 1.024 801 V CB -0.535 31.264 31.823 -0.041 0.000 0.648 801 V HN 0.490 nan 8.190 nan 0.000 0.447 802 I N -0.525 120.059 120.570 0.024 0.000 2.335 802 I HA -0.285 3.877 4.170 -0.013 0.000 0.251 802 I C 2.658 178.824 176.117 0.082 0.000 1.129 802 I CA 1.486 62.843 61.300 0.095 0.000 1.402 802 I CB -0.305 37.796 38.000 0.169 0.000 1.069 802 I HN 0.182 nan 8.210 nan 0.000 0.424 803 R N 0.771 121.296 120.500 0.041 0.000 2.115 803 R HA -0.064 4.269 4.340 -0.013 0.000 0.230 803 R C 2.045 178.377 176.300 0.054 0.000 1.111 803 R CA 1.178 57.300 56.100 0.038 0.000 0.976 803 R CB -0.221 30.084 30.300 0.009 0.000 0.870 803 R HN 0.424 nan 8.270 nan 0.000 0.445 804 N N -0.212 118.514 118.700 0.043 0.000 2.148 804 N HA -0.084 4.648 4.740 -0.013 0.000 0.186 804 N C 1.789 177.359 175.510 0.098 0.000 1.031 804 N CA 1.404 54.502 53.050 0.080 0.000 0.848 804 N CB -0.010 38.495 38.487 0.030 0.000 1.005 804 N HN 0.150 nan 8.380 nan 0.000 0.427 805 I N 1.710 122.326 120.570 0.077 0.000 2.127 805 I HA -0.246 3.916 4.170 -0.013 0.000 0.241 805 I C 2.403 178.569 176.117 0.083 0.000 1.075 805 I CA 1.023 62.373 61.300 0.083 0.000 1.334 805 I CB -0.332 37.712 38.000 0.073 0.000 1.040 805 I HN 0.084 nan 8.210 nan 0.000 0.405 806 A N -1.077 121.791 122.820 0.080 0.000 2.125 806 A HA -0.181 4.131 4.320 -0.013 0.000 0.219 806 A C 2.207 179.826 177.584 0.058 0.000 1.156 806 A CA 2.090 54.163 52.037 0.061 0.000 0.671 806 A CB -0.596 18.444 19.000 0.067 0.000 0.794 806 A HN 0.399 nan 8.150 nan 0.000 0.459 807 T N -1.037 113.566 114.554 0.082 0.000 3.085 807 T HA 0.123 4.465 4.350 -0.013 0.000 0.264 807 T C 1.483 176.267 174.700 0.139 0.000 1.019 807 T CA 0.716 62.869 62.100 0.088 0.000 0.910 807 T CB -0.361 68.558 68.868 0.087 0.000 1.059 807 T HN 0.614 nan 8.240 nan 0.000 0.542 808 S N -0.755 115.048 115.700 0.172 0.000 2.593 808 S HA 0.189 4.652 4.470 -0.013 0.000 0.217 808 S C 2.271 176.994 174.600 0.205 0.000 0.966 808 S CA 0.492 58.868 58.200 0.294 0.000 0.914 808 S CB -0.258 63.101 63.200 0.264 0.000 0.776 808 S HN 0.419 nan 8.310 nan 0.000 0.523 809 G N 2.744 111.593 108.800 0.083 0.000 2.503 809 G HA2 -0.303 3.649 3.960 -0.013 0.000 0.221 809 G HA3 -0.303 3.649 3.960 -0.013 0.000 0.221 809 G C 1.321 176.182 174.900 -0.066 0.000 1.131 809 G CA 1.039 46.158 45.100 0.032 0.000 0.756 809 G HN 0.592 nan 8.290 nan 0.000 0.572 810 K N -0.211 120.037 120.400 -0.254 0.000 2.442 810 K HA -0.011 4.301 4.320 -0.013 0.000 0.198 810 K C 0.736 176.999 176.600 -0.562 0.000 1.044 810 K CA 0.440 56.441 56.287 -0.477 0.000 0.948 810 K CB -0.201 31.859 32.500 -0.734 0.000 0.762 810 K HN 0.367 nan 8.250 nan 0.000 0.472 811 F N 0.772 120.753 119.950 0.051 0.000 2.660 811 F HA 0.174 4.692 4.527 -0.014 0.000 0.297 811 F C 0.694 176.539 175.800 0.075 0.000 1.132 811 F CA -0.435 57.601 58.000 0.060 0.000 1.372 811 F CB 0.268 39.301 39.000 0.055 0.000 1.003 811 F HN -0.147 nan 8.300 nan 0.000 0.524 812 S N -0.062 115.727 115.700 0.148 0.000 2.537 812 S HA 0.173 4.635 4.470 -0.013 0.000 0.275 812 S C 1.373 176.056 174.600 0.138 0.000 1.272 812 S CA -0.197 58.085 58.200 0.136 0.000 1.050 812 S CB 0.950 64.200 63.200 0.084 0.000 0.961 812 S HN 0.296 nan 8.310 nan 0.000 0.496 813 S N 3.130 118.933 115.700 0.171 0.000 2.507 813 S HA -0.072 4.390 4.470 -0.013 0.000 0.235 813 S C 0.878 175.524 174.600 0.078 0.000 0.988 813 S CA 0.668 58.987 58.200 0.199 0.000 0.944 813 S CB -0.365 63.018 63.200 0.305 0.000 0.762 813 S HN 0.788 nan 8.310 nan 0.000 0.526 814 D N 1.782 122.214 120.400 0.054 0.000 2.144 814 D HA -0.048 4.585 4.640 -0.013 0.000 0.200 814 D C 2.089 178.390 176.300 0.002 0.000 0.978 814 D CA 0.673 54.683 54.000 0.016 0.000 0.833 814 D CB -0.281 40.528 40.800 0.015 0.000 0.961 814 D HN 0.279 nan 8.370 nan 0.000 0.470 815 R N 0.714 121.221 120.500 0.011 0.000 2.075 815 R HA -0.072 4.260 4.340 -0.013 0.000 0.232 815 R C 1.805 178.102 176.300 -0.006 0.000 1.126 815 R CA 1.263 57.358 56.100 -0.008 0.000 0.963 815 R CB -0.590 29.695 30.300 -0.025 0.000 0.858 815 R HN 0.118 nan 8.270 nan 0.000 0.435 816 T N 2.076 116.650 114.554 0.033 0.000 2.708 816 T HA -0.098 4.244 4.350 -0.013 0.000 0.266 816 T C 1.928 176.643 174.700 0.025 0.000 1.037 816 T CA 1.209 63.355 62.100 0.077 0.000 1.146 816 T CB -0.096 68.899 68.868 0.212 0.000 0.865 816 T HN 0.085 nan 8.240 nan 0.000 0.435 817 I N 1.826 122.312 120.570 -0.140 0.000 2.226 817 I HA -0.087 4.075 4.170 -0.013 0.000 0.245 817 I C 2.944 179.014 176.117 -0.078 0.000 1.100 817 I CA 0.974 62.143 61.300 -0.219 0.000 1.374 817 I CB -1.665 36.208 38.000 -0.210 0.000 1.057 817 I HN 0.193 nan 8.210 nan 0.000 0.413 818 A N 0.001 122.796 122.820 -0.042 0.000 1.978 818 A HA -0.244 4.068 4.320 -0.013 0.000 0.220 818 A C 2.265 179.816 177.584 -0.054 0.000 1.170 818 A CA 1.523 53.546 52.037 -0.023 0.000 0.636 818 A CB -0.558 18.431 19.000 -0.017 0.000 0.810 818 A HN 0.522 nan 8.150 nan 0.000 0.448 819 Q N -2.076 117.675 119.800 -0.083 0.000 2.083 819 Q HA -0.126 4.206 4.340 -0.013 0.000 0.198 819 Q C 1.899 177.747 176.000 -0.252 0.000 0.969 819 Q CA 1.428 57.144 55.803 -0.145 0.000 0.838 819 Q CB -0.231 28.410 28.738 -0.162 0.000 0.900 819 Q HN 0.825 nan 8.270 nan 0.000 0.436 820 Y N 0.534 120.551 120.300 -0.472 0.000 2.145 820 Y HA -0.288 4.254 4.550 -0.013 0.000 0.286 820 Y C 2.441 177.819 175.900 -0.870 0.000 1.145 820 Y CA 1.292 58.864 58.100 -0.880 0.000 1.148 820 Y CB -0.454 37.156 38.460 -1.417 0.000 0.981 820 Y HN 0.158 nan 8.280 nan 0.000 0.507 821 A N 0.523 123.162 122.820 -0.302 0.000 1.859 821 A HA -0.274 4.038 4.320 -0.013 0.000 0.217 821 A C 2.264 179.885 177.584 0.062 0.000 1.198 821 A CA 2.379 54.486 52.037 0.115 0.000 0.629 821 A CB -0.683 18.421 19.000 0.173 0.000 0.830 821 A HN 0.450 nan 8.150 nan 0.000 0.446 822 R N -0.608 119.883 120.500 -0.015 0.000 2.062 822 R HA -0.060 4.273 4.340 -0.013 0.000 0.229 822 R C 1.873 178.157 176.300 -0.026 0.000 1.128 822 R CA 1.522 57.618 56.100 -0.007 0.000 0.960 822 R CB -0.311 29.977 30.300 -0.020 0.000 0.855 822 R HN 0.675 nan 8.270 nan 0.000 0.432 823 E N -0.266 119.879 120.200 -0.091 0.000 2.478 823 E HA 0.079 4.421 4.350 -0.013 0.000 0.194 823 E C 1.389 177.943 176.600 -0.076 0.000 1.045 823 E CA 0.459 56.807 56.400 -0.086 0.000 0.868 823 E CB 0.456 30.079 29.700 -0.129 0.000 0.885 823 E HN 0.366 nan 8.360 nan 0.000 0.505 824 I N -1.485 119.017 120.570 -0.114 0.000 3.878 824 I HA 0.027 4.189 4.170 -0.013 0.000 0.273 824 I C 1.283 177.546 176.117 0.244 0.000 1.165 824 I CA -0.104 61.182 61.300 -0.024 0.000 1.360 824 I CB 0.126 37.948 38.000 -0.296 0.000 1.539 824 I HN 0.113 nan 8.210 nan 0.000 0.447 825 W N 1.825 123.214 121.300 0.148 0.000 2.518 825 W HA 0.275 4.928 4.660 -0.013 0.000 0.273 825 W C 1.538 178.091 176.519 0.057 0.000 1.247 825 W CA 1.012 58.425 57.345 0.112 0.000 1.288 825 W CB -1.052 28.461 29.460 0.089 0.000 1.107 825 W HN 0.349 nan 8.180 nan 0.000 0.586 826 G N 0.941 109.887 108.800 0.243 0.000 2.256 826 G HA2 -0.094 3.858 3.960 -0.013 0.000 0.272 826 G HA3 -0.094 3.858 3.960 -0.013 0.000 0.272 826 G C -0.303 174.671 174.900 0.123 0.000 1.076 826 G CA 0.205 45.387 45.100 0.137 0.000 0.882 826 G HN 0.411 nan 8.290 nan 0.000 0.497 827 V N -4.514 115.491 119.914 0.151 0.000 3.040 827 V HA 0.947 5.059 4.120 -0.013 0.000 0.312 827 V C -0.473 175.676 176.094 0.091 0.000 1.115 827 V CA -1.647 60.719 62.300 0.109 0.000 0.998 827 V CB 2.370 34.262 31.823 0.116 0.000 1.042 827 V HN 0.123 nan 8.190 nan 0.000 0.433 828 E N 3.055 123.292 120.200 0.062 0.000 2.133 828 E HA 0.548 4.890 4.350 -0.013 0.000 0.274 828 E C -2.583 174.045 176.600 0.046 0.000 0.930 828 E CA -1.795 54.634 56.400 0.049 0.000 0.770 828 E CB 1.947 31.669 29.700 0.037 0.000 1.104 828 E HN 0.756 nan 8.360 nan 0.000 0.403 829 P HA 0.080 nan 4.420 nan 0.000 0.270 829 P C -0.508 176.810 177.300 0.031 0.000 1.223 829 P CA -0.265 62.858 63.100 0.039 0.000 0.785 829 P CB 0.801 32.521 31.700 0.034 0.000 0.923 830 S N 0.837 116.554 115.700 0.029 0.000 2.603 830 S HA 0.326 4.788 4.470 -0.013 0.000 0.274 830 S C -0.082 174.532 174.600 0.023 0.000 1.168 830 S CA -0.876 57.341 58.200 0.027 0.000 0.963 830 S CB 1.071 64.290 63.200 0.032 0.000 1.078 830 S HN 0.298 nan 8.310 nan 0.000 0.477 831 R N 2.884 123.396 120.500 0.020 0.000 2.978 831 R HA 0.216 4.548 4.340 -0.013 0.000 0.298 831 R C -0.250 176.056 176.300 0.009 0.000 1.296 831 R CA -0.091 56.019 56.100 0.018 0.000 1.181 831 R CB 0.202 30.515 30.300 0.022 0.000 1.348 831 R HN 0.656 nan 8.270 nan 0.000 0.585 832 Q N 0.956 120.760 119.800 0.006 0.000 2.296 832 Q HA 0.217 4.549 4.340 -0.013 0.000 0.257 832 Q C -0.418 175.569 176.000 -0.022 0.000 0.942 832 Q CA -0.538 55.264 55.803 -0.003 0.000 0.939 832 Q CB 1.483 30.224 28.738 0.006 0.000 1.198 832 Q HN -0.088 nan 8.270 nan 0.000 0.429 833 R N 1.768 122.250 120.500 -0.030 0.000 2.484 833 R HA 0.036 4.369 4.340 -0.013 0.000 0.293 833 R C -0.491 175.771 176.300 -0.064 0.000 1.023 833 R CA -0.148 55.922 56.100 -0.049 0.000 1.037 833 R CB 0.076 30.348 30.300 -0.048 0.000 0.951 833 R HN 0.416 nan 8.270 nan 0.000 0.418 834 L N 6.685 127.853 121.223 -0.091 0.000 2.461 834 L HA 0.175 4.507 4.340 -0.013 0.000 0.272 834 L C -1.655 175.157 176.870 -0.097 0.000 1.197 834 L CA -1.777 52.980 54.840 -0.138 0.000 0.836 834 L CB 0.424 42.374 42.059 -0.181 0.000 1.105 834 L HN 0.611 nan 8.230 nan 0.000 0.477 835 P HA 0.037 nan 4.420 nan 0.000 0.229 835 P C 0.010 177.288 177.300 -0.037 0.000 1.485 835 P CA 0.673 63.745 63.100 -0.047 0.000 1.217 835 P CB -0.661 31.024 31.700 -0.026 0.000 1.852 836 A N 4.755 127.552 122.820 -0.037 0.000 6.759 836 A HA -0.176 4.136 4.320 -0.013 0.000 0.308 836 A C -1.372 176.200 177.584 -0.020 0.000 2.086 836 A CA 0.476 52.498 52.037 -0.026 0.000 1.123 836 A CB -1.898 17.093 19.000 -0.014 0.000 1.078 836 A HN 0.375 nan 8.150 nan 0.000 0.457 837 P HA 0.177 nan 4.420 nan 0.000 0.252 837 P C 0.102 177.408 177.300 0.011 0.000 1.211 837 P CA 0.566 63.670 63.100 0.007 0.000 0.824 837 P CB -0.359 31.356 31.700 0.024 0.000 1.077 838 D N 1.896 122.301 120.400 0.008 0.000 5.561 838 D HA -0.189 4.443 4.640 -0.013 0.000 0.166 838 D C 1.450 177.755 176.300 0.008 0.000 1.127 838 D CA 0.782 54.786 54.000 0.008 0.000 0.720 838 D CB 0.163 40.966 40.800 0.005 0.000 1.322 838 D HN 0.090 nan 8.370 nan 0.000 0.745 839 E N 2.915 123.119 120.200 0.006 0.000 3.003 839 E HA -0.445 3.897 4.350 -0.013 0.000 0.238 839 E C 0.163 176.765 176.600 0.004 0.000 0.891 839 E CA 2.753 59.155 56.400 0.003 0.000 1.311 839 E CB -0.259 29.441 29.700 -0.000 0.000 1.381 839 E HN 0.894 nan 8.360 nan 0.000 0.452 840 K N -0.571 119.831 120.400 0.002 0.000 7.454 840 K HA -0.162 4.150 4.320 -0.013 0.000 0.649 840 K C -0.631 175.969 176.600 0.000 0.000 2.590 840 K CA 1.248 57.537 56.287 0.003 0.000 1.946 840 K CB -0.665 31.840 32.500 0.007 0.000 2.011 840 K HN 0.338 nan 8.250 nan 0.000 0.289 841 I N 3.372 123.941 120.570 -0.002 0.000 2.642 841 I HA 0.296 4.458 4.170 -0.013 0.000 0.273 841 I C -1.965 174.149 176.117 -0.005 0.000 1.208 841 I CA -1.563 59.734 61.300 -0.005 0.000 1.037 841 I CB 0.423 38.418 38.000 -0.008 0.000 1.253 841 I HN 0.938 nan 8.210 nan 0.000 0.504 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.097 63.100 -0.004 0.000 0.800 842 P CB 0.000 31.699 31.700 -0.001 0.000 0.726