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 1gg8_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 0.000 176.106 176.117 -0.019 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.034 0.000 1.566 13 I CB 0.000 37.971 38.000 -0.049 0.000 1.214 14 S N -0.404 115.290 115.700 -0.010 0.000 2.630 14 S HA 0.141 4.603 4.470 -0.013 0.000 0.274 14 S C -1.573 173.030 174.600 0.004 0.000 0.915 14 S CA 0.060 58.261 58.200 0.002 0.000 1.079 14 S CB 0.798 63.999 63.200 0.002 0.000 1.360 14 S HN 0.184 nan 8.310 nan 0.000 0.455 15 V N 4.268 124.191 119.914 0.016 0.000 2.847 15 V HA 0.399 4.512 4.120 -0.013 0.000 0.364 15 V C 0.853 176.955 176.094 0.013 0.000 1.374 15 V CA -0.038 62.272 62.300 0.016 0.000 1.542 15 V CB -0.882 30.958 31.823 0.029 0.000 1.471 15 V HN 0.584 nan 8.190 nan 0.000 0.557 16 R N 2.246 122.747 120.500 0.002 0.000 2.555 16 R HA 0.413 4.745 4.340 -0.013 0.000 0.272 16 R C 0.915 177.207 176.300 -0.015 0.000 1.089 16 R CA 0.554 56.652 56.100 -0.003 0.000 1.126 16 R CB 0.038 30.332 30.300 -0.010 0.000 1.250 16 R HN 0.713 nan 8.270 nan 0.000 0.551 17 G N 0.733 109.524 108.800 -0.014 0.000 2.685 17 G HA2 -0.215 3.737 3.960 -0.013 0.000 0.387 17 G HA3 -0.215 3.737 3.960 -0.013 0.000 0.387 17 G C -1.001 173.885 174.900 -0.024 0.000 1.324 17 G CA -1.056 44.028 45.100 -0.026 0.000 0.878 17 G HN 0.042 nan 8.290 nan 0.000 0.527 18 L N 0.542 121.749 121.223 -0.027 0.000 2.375 18 L HA 0.695 5.027 4.340 -0.013 0.000 0.271 18 L C 1.310 178.165 176.870 -0.024 0.000 1.107 18 L CA 0.220 55.047 54.840 -0.022 0.000 0.806 18 L CB 1.135 43.183 42.059 -0.020 0.000 1.146 18 L HN 1.545 nan 8.230 nan 0.000 0.447 19 A N 2.574 125.381 122.820 -0.020 0.000 3.173 19 A HA 0.568 4.880 4.320 -0.013 0.000 0.304 19 A C 0.779 178.357 177.584 -0.010 0.000 1.318 19 A CA -0.289 51.737 52.037 -0.018 0.000 1.069 19 A CB -0.678 18.309 19.000 -0.022 0.000 1.147 19 A HN 0.783 nan 8.150 nan 0.000 0.547 20 G N -0.300 108.495 108.800 -0.008 0.000 2.559 20 G HA2 0.305 4.257 3.960 -0.013 0.000 0.235 20 G HA3 0.305 4.257 3.960 -0.013 0.000 0.235 20 G C 1.021 175.925 174.900 0.006 0.000 1.266 20 G CA 0.086 45.185 45.100 -0.001 0.000 0.847 20 G HN 0.427 nan 8.290 nan 0.000 0.583 21 V N 1.725 121.644 119.914 0.008 0.000 2.261 21 V HA -0.156 3.956 4.120 -0.013 0.000 0.246 21 V C 2.684 178.789 176.094 0.019 0.000 1.047 21 V CA 2.365 64.672 62.300 0.013 0.000 1.015 21 V CB -0.743 31.086 31.823 0.011 0.000 0.642 21 V HN 0.762 nan 8.190 nan 0.000 0.446 22 E N 0.373 120.585 120.200 0.020 0.000 2.110 22 E HA -0.184 4.158 4.350 -0.013 0.000 0.193 22 E C 2.052 178.674 176.600 0.038 0.000 0.988 22 E CA 1.531 57.947 56.400 0.027 0.000 0.804 22 E CB -0.294 29.421 29.700 0.025 0.000 0.745 22 E HN 0.641 nan 8.360 nan 0.000 0.458 23 N N -1.260 117.461 118.700 0.035 0.000 2.354 23 N HA -0.068 4.664 4.740 -0.013 0.000 0.179 23 N C 1.329 176.867 175.510 0.047 0.000 1.021 23 N CA 0.412 53.490 53.050 0.047 0.000 0.887 23 N CB 0.343 38.848 38.487 0.030 0.000 0.974 23 N HN -0.043 nan 8.380 nan 0.000 0.437 24 V N -0.148 119.785 119.914 0.032 0.000 2.548 24 V HA -0.146 3.967 4.120 -0.013 0.000 0.249 24 V C 1.869 177.987 176.094 0.041 0.000 1.055 24 V CA 1.566 63.884 62.300 0.030 0.000 1.065 24 V CB -0.506 31.329 31.823 0.020 0.000 0.681 24 V HN 0.387 nan 8.190 nan 0.000 0.462 25 T N -0.408 114.171 114.554 0.042 0.000 2.812 25 T HA -0.175 4.167 4.350 -0.013 0.000 0.264 25 T C 1.892 176.631 174.700 0.064 0.000 1.042 25 T CA 1.605 63.732 62.100 0.044 0.000 1.140 25 T CB -0.115 68.775 68.868 0.036 0.000 0.870 25 T HN 0.497 nan 8.240 nan 0.000 0.445 26 E N 0.823 121.067 120.200 0.073 0.000 2.077 26 E HA -0.095 4.248 4.350 -0.013 0.000 0.193 26 E C 1.907 178.588 176.600 0.136 0.000 0.989 26 E CA 0.780 57.237 56.400 0.095 0.000 0.800 26 E CB -0.456 29.306 29.700 0.104 0.000 0.746 26 E HN 0.154 nan 8.360 nan 0.000 0.452 27 L N 0.875 122.185 121.223 0.144 0.000 2.017 27 L HA -0.108 4.225 4.340 -0.013 0.000 0.208 27 L C 2.138 179.124 176.870 0.194 0.000 1.073 27 L CA 1.818 56.770 54.840 0.186 0.000 0.745 27 L CB -0.815 41.322 42.059 0.129 0.000 0.894 27 L HN 0.092 nan 8.230 nan 0.000 0.432 28 K N -0.118 120.357 120.400 0.125 0.000 2.032 28 K HA -0.215 4.098 4.320 -0.013 0.000 0.209 28 K C 1.964 178.677 176.600 0.189 0.000 1.048 28 K CA 1.880 58.238 56.287 0.119 0.000 0.927 28 K CB -0.100 32.427 32.500 0.045 0.000 0.712 28 K HN 0.423 nan 8.250 nan 0.000 0.441 29 K N 0.163 120.649 120.400 0.145 0.000 2.148 29 K HA -0.036 4.277 4.320 -0.013 0.000 0.204 29 K C 1.599 178.295 176.600 0.161 0.000 1.050 29 K CA 1.248 57.616 56.287 0.134 0.000 0.942 29 K CB -0.112 32.440 32.500 0.086 0.000 0.724 29 K HN 0.047 nan 8.250 nan 0.000 0.446 30 N N 0.501 119.311 118.700 0.184 0.000 2.331 30 N HA -0.089 4.643 4.740 -0.013 0.000 0.180 30 N C 1.523 177.213 175.510 0.300 0.000 1.019 30 N CA 0.831 53.992 53.050 0.186 0.000 0.881 30 N CB -0.138 38.469 38.487 0.201 0.000 0.972 30 N HN 0.195 nan 8.380 nan 0.000 0.435 31 F N 2.455 122.518 119.950 0.188 0.000 2.186 31 F HA -0.023 4.497 4.527 -0.013 0.000 0.299 31 F C 1.952 177.871 175.800 0.199 0.000 1.090 31 F CA 1.132 59.258 58.000 0.209 0.000 1.307 31 F CB -0.088 39.003 39.000 0.152 0.000 1.019 31 F HN -0.047 nan 8.300 nan 0.000 0.489 32 N N 0.318 119.233 118.700 0.358 0.000 2.216 32 N HA -0.118 4.614 4.740 -0.013 0.000 0.183 32 N C 2.081 177.683 175.510 0.152 0.000 1.017 32 N CA 0.591 53.782 53.050 0.234 0.000 0.861 32 N CB -0.423 38.190 38.487 0.209 0.000 0.986 32 N HN 0.303 nan 8.380 nan 0.000 0.428 33 R N 0.775 121.365 120.500 0.150 0.000 2.103 33 R HA -0.134 4.198 4.340 -0.013 0.000 0.234 33 R C 1.873 178.269 176.300 0.160 0.000 1.132 33 R CA 1.645 57.856 56.100 0.186 0.000 0.925 33 R CB -0.633 29.659 30.300 -0.014 0.000 0.842 33 R HN 0.433 nan 8.270 nan 0.000 0.430 34 H N -0.115 119.006 119.070 0.085 0.000 2.387 34 H HA -0.171 4.378 4.556 -0.013 0.000 0.299 34 H C 1.875 177.144 175.328 -0.097 0.000 1.099 34 H CA 1.629 57.656 56.048 -0.034 0.000 1.315 34 H CB -0.080 29.621 29.762 -0.101 0.000 1.380 34 H HN 0.111 nan 8.280 nan 0.000 0.513 35 L N -0.125 121.091 121.223 -0.012 0.000 2.083 35 L HA -0.174 4.158 4.340 -0.013 0.000 0.209 35 L C 2.124 178.981 176.870 -0.022 0.000 1.083 35 L CA 1.830 56.627 54.840 -0.072 0.000 0.752 35 L CB -0.423 41.592 42.059 -0.074 0.000 0.899 35 L HN 0.287 nan 8.230 nan 0.000 0.433 36 H N -1.579 117.422 119.070 -0.115 0.000 2.273 36 H HA -0.009 4.539 4.556 -0.013 0.000 0.311 36 H C 1.814 176.955 175.328 -0.311 0.000 1.057 36 H CA 2.140 58.031 56.048 -0.262 0.000 1.360 36 H CB -0.398 29.122 29.762 -0.403 0.000 1.414 36 H HN 0.258 nan 8.280 nan 0.000 0.516 37 F N -0.170 119.758 119.950 -0.037 0.000 2.234 37 F HA -0.074 4.445 4.527 -0.013 0.000 0.299 37 F C 2.524 178.239 175.800 -0.141 0.000 1.087 37 F CA 1.526 59.453 58.000 -0.122 0.000 1.340 37 F CB -0.365 38.592 39.000 -0.072 0.000 1.031 37 F HN 0.212 nan 8.300 nan 0.000 0.500 38 T N -0.666 113.909 114.554 0.035 0.000 2.983 38 T HA 0.045 4.387 4.350 -0.013 0.000 0.250 38 T C 1.670 176.275 174.700 -0.159 0.000 1.037 38 T CA 0.581 62.633 62.100 -0.081 0.000 1.142 38 T CB -0.109 68.680 68.868 -0.132 0.000 0.876 38 T HN -0.049 nan 8.240 nan 0.000 0.455 39 L N 1.003 122.135 121.223 -0.152 0.000 2.477 39 L HA 0.296 4.628 4.340 -0.013 0.000 0.220 39 L C 0.734 177.508 176.870 -0.160 0.000 1.106 39 L CA 0.327 55.067 54.840 -0.167 0.000 0.851 39 L CB -0.632 41.339 42.059 -0.148 0.000 0.994 39 L HN 0.046 nan 8.230 nan 0.000 0.462 40 V N 0.078 119.881 119.914 -0.185 0.000 5.820 40 V HA -0.298 3.814 4.120 -0.013 0.000 0.300 40 V C 0.544 176.527 176.094 -0.184 0.000 0.585 40 V CA 0.848 63.009 62.300 -0.233 0.000 0.629 40 V CB -2.090 29.619 31.823 -0.190 0.000 0.291 40 V HN 0.389 nan 8.190 nan 0.000 0.887 41 K N 1.226 121.533 120.400 -0.156 0.000 2.409 41 K HA 0.729 5.041 4.320 -0.013 0.000 0.252 41 K C -0.571 176.004 176.600 -0.042 0.000 1.036 41 K CA -0.532 55.695 56.287 -0.099 0.000 0.871 41 K CB 2.655 35.093 32.500 -0.103 0.000 1.374 41 K HN 0.577 nan 8.250 nan 0.000 0.459 42 D N 0.083 120.477 120.400 -0.011 0.000 2.671 42 D HA 0.270 4.903 4.640 -0.013 0.000 0.232 42 D C 0.552 176.882 176.300 0.050 0.000 1.114 42 D CA -0.606 53.420 54.000 0.043 0.000 0.858 42 D CB 1.532 42.355 40.800 0.038 0.000 1.544 42 D HN 0.162 nan 8.370 nan 0.000 0.471 43 R N 0.989 121.548 120.500 0.098 0.000 2.198 43 R HA -0.157 4.176 4.340 -0.013 0.000 0.258 43 R C 1.131 177.501 176.300 0.118 0.000 1.173 43 R CA 1.048 57.241 56.100 0.154 0.000 0.991 43 R CB -0.761 29.633 30.300 0.157 0.000 0.879 43 R HN 0.596 nan 8.270 nan 0.000 0.460 44 N N 0.482 119.222 118.700 0.068 0.000 2.494 44 N HA -0.062 4.670 4.740 -0.013 0.000 0.182 44 N C 1.216 176.747 175.510 0.034 0.000 1.076 44 N CA 1.253 54.334 53.050 0.052 0.000 0.908 44 N CB 0.460 38.968 38.487 0.035 0.000 0.967 44 N HN 0.189 nan 8.380 nan 0.000 0.449 45 V N -3.008 116.914 119.914 0.014 0.000 3.398 45 V HA 0.440 4.553 4.120 -0.013 0.000 0.298 45 V C 0.686 176.753 176.094 -0.045 0.000 1.496 45 V CA -0.614 61.682 62.300 -0.008 0.000 1.044 45 V CB -0.112 31.701 31.823 -0.017 0.000 0.880 45 V HN 0.016 nan 8.190 nan 0.000 0.443 46 A N 2.162 124.933 122.820 -0.082 0.000 2.450 46 A HA 0.601 4.913 4.320 -0.013 0.000 0.255 46 A C 0.713 178.128 177.584 -0.281 0.000 1.096 46 A CA 0.847 52.722 52.037 -0.269 0.000 0.778 46 A CB -0.026 18.693 19.000 -0.469 0.000 1.031 46 A HN 0.749 nan 8.150 nan 0.000 0.494 47 T N 0.151 114.542 114.554 -0.272 0.000 2.948 47 T HA 0.598 4.941 4.350 -0.013 0.000 0.285 47 T C -2.145 172.509 174.700 -0.077 0.000 1.019 47 T CA -1.826 60.216 62.100 -0.096 0.000 1.013 47 T CB 1.330 70.191 68.868 -0.011 0.000 1.117 47 T HN 0.230 nan 8.240 nan 0.000 0.533 48 P HA -0.112 nan 4.420 nan 0.000 0.216 48 P C 1.578 179.011 177.300 0.221 0.000 1.150 48 P CA 1.032 64.294 63.100 0.270 0.000 0.843 48 P CB 0.036 31.848 31.700 0.186 0.000 0.787 49 R N -0.123 120.459 120.500 0.137 0.000 2.096 49 R HA -0.139 4.193 4.340 -0.013 0.000 0.235 49 R C 1.643 178.139 176.300 0.327 0.000 1.127 49 R CA 1.742 57.963 56.100 0.202 0.000 0.968 49 R CB -0.612 29.762 30.300 0.123 0.000 0.861 49 R HN 0.111 nan 8.270 nan 0.000 0.440 50 D N -0.404 120.068 120.400 0.120 0.000 2.097 50 D HA -0.168 4.464 4.640 -0.013 0.000 0.197 50 D C 1.723 178.055 176.300 0.052 0.000 0.984 50 D CA 1.228 55.248 54.000 0.035 0.000 0.826 50 D CB -0.373 40.297 40.800 -0.218 0.000 0.973 50 D HN 0.259 nan 8.370 nan 0.000 0.460 51 Y N 0.400 120.814 120.300 0.189 0.000 2.207 51 Y HA -0.242 4.301 4.550 -0.013 0.000 0.287 51 Y C 2.361 178.406 175.900 0.242 0.000 1.156 51 Y CA 0.463 58.719 58.100 0.260 0.000 1.182 51 Y CB -1.143 37.525 38.460 0.346 0.000 0.979 51 Y HN 0.111 nan 8.280 nan 0.000 0.521 52 Y N -0.573 119.885 120.300 0.263 0.000 2.145 52 Y HA -0.273 4.269 4.550 -0.013 0.000 0.286 52 Y C 1.986 177.881 175.900 -0.009 0.000 1.145 52 Y CA 1.244 59.396 58.100 0.086 0.000 1.148 52 Y CB -1.180 37.223 38.460 -0.095 0.000 0.981 52 Y HN 0.024 nan 8.280 nan 0.000 0.507 53 F N 0.369 120.054 119.950 -0.441 0.000 2.171 53 F HA -0.102 4.418 4.527 -0.012 0.000 0.300 53 F C 2.652 178.275 175.800 -0.296 0.000 1.090 53 F CA 1.415 59.109 58.000 -0.509 0.000 1.293 53 F CB -1.059 37.834 39.000 -0.178 0.000 1.013 53 F HN 0.208 nan 8.300 nan 0.000 0.486 54 A N -0.222 122.535 122.820 -0.104 0.000 1.902 54 A HA -0.167 4.145 4.320 -0.013 0.000 0.217 54 A C 2.113 179.580 177.584 -0.196 0.000 1.181 54 A CA 1.571 53.429 52.037 -0.298 0.000 0.623 54 A CB -1.081 17.400 19.000 -0.866 0.000 0.818 54 A HN 0.329 nan 8.150 nan 0.000 0.443 55 L N -0.172 121.053 121.223 0.004 0.000 2.017 55 L HA -0.060 4.273 4.340 -0.013 0.000 0.208 55 L C 2.713 179.591 176.870 0.013 0.000 1.073 55 L CA 2.252 57.230 54.840 0.230 0.000 0.745 55 L CB -0.905 41.356 42.059 0.337 0.000 0.894 55 L HN 0.351 nan 8.230 nan 0.000 0.432 56 A N -1.314 121.353 122.820 -0.255 0.000 1.908 56 A HA -0.302 4.010 4.320 -0.013 0.000 0.218 56 A C 2.157 179.431 177.584 -0.516 0.000 1.181 56 A CA 2.127 53.922 52.037 -0.404 0.000 0.627 56 A CB -1.129 17.325 19.000 -0.910 0.000 0.818 56 A HN 0.691 nan 8.150 nan 0.000 0.445 57 H N -0.910 117.861 119.070 -0.499 0.000 2.423 57 H HA -0.038 4.510 4.556 -0.013 0.000 0.297 57 H C 2.276 177.317 175.328 -0.478 0.000 1.075 57 H CA 1.901 57.568 56.048 -0.634 0.000 1.342 57 H CB -0.063 29.068 29.762 -1.052 0.000 1.395 57 H HN 0.480 nan 8.280 nan 0.000 0.530 58 T N -0.555 113.923 114.554 -0.126 0.000 2.821 58 T HA -0.100 4.242 4.350 -0.013 0.000 0.267 58 T C 2.204 177.072 174.700 0.280 0.000 1.046 58 T CA 1.150 63.365 62.100 0.191 0.000 1.139 58 T CB -0.255 68.801 68.868 0.313 0.000 0.871 58 T HN 0.100 nan 8.240 nan 0.000 0.454 59 V N 1.572 121.618 119.914 0.220 0.000 2.379 59 V HA -0.064 4.048 4.120 -0.013 0.000 0.245 59 V C 2.629 178.910 176.094 0.313 0.000 1.044 59 V CA 1.370 63.846 62.300 0.293 0.000 1.036 59 V CB -0.580 31.414 31.823 0.284 0.000 0.664 59 V HN 0.363 nan 8.190 nan 0.000 0.453 60 R N 0.252 120.886 120.500 0.223 0.000 2.127 60 R HA -0.220 4.112 4.340 -0.013 0.000 0.238 60 R C 1.875 178.281 176.300 0.176 0.000 1.134 60 R CA 1.998 58.228 56.100 0.216 0.000 0.975 60 R CB -0.410 29.854 30.300 -0.060 0.000 0.865 60 R HN 0.456 nan 8.270 nan 0.000 0.447 61 D N -0.043 120.444 120.400 0.145 0.000 2.149 61 D HA -0.163 4.469 4.640 -0.013 0.000 0.198 61 D C 1.713 178.026 176.300 0.022 0.000 0.990 61 D CA 1.118 55.170 54.000 0.086 0.000 0.839 61 D CB -0.355 40.479 40.800 0.057 0.000 0.948 61 D HN 0.452 nan 8.370 nan 0.000 0.460 62 H N -0.218 118.918 119.070 0.110 0.000 2.491 62 H HA -0.002 4.546 4.556 -0.012 0.000 0.290 62 H C 1.972 177.343 175.328 0.072 0.000 1.050 62 H CA 0.669 56.766 56.048 0.082 0.000 1.309 62 H CB 0.341 30.143 29.762 0.067 0.000 1.392 62 H HN 0.266 nan 8.280 nan 0.000 0.554 63 L N -1.095 120.237 121.223 0.182 0.000 2.693 63 L HA 0.162 4.494 4.340 -0.013 0.000 0.235 63 L C 1.915 178.892 176.870 0.178 0.000 1.127 63 L CA 0.014 54.929 54.840 0.125 0.000 0.914 63 L CB -0.040 42.046 42.059 0.045 0.000 1.193 63 L HN -0.117 nan 8.230 nan 0.000 0.502 64 V N -2.158 117.884 119.914 0.213 0.000 2.453 64 V HA 0.081 4.193 4.120 -0.013 0.000 0.247 64 V C 2.523 178.741 176.094 0.207 0.000 1.048 64 V CA 1.527 64.004 62.300 0.296 0.000 1.049 64 V CB -1.693 30.265 31.823 0.224 0.000 0.672 64 V HN 0.362 nan 8.190 nan 0.000 0.457 65 G N 0.225 109.099 108.800 0.124 0.000 2.440 65 G HA2 -0.227 3.725 3.960 -0.013 0.000 0.218 65 G HA3 -0.227 3.725 3.960 -0.013 0.000 0.218 65 G C 1.814 176.765 174.900 0.085 0.000 1.154 65 G CA 0.972 46.119 45.100 0.078 0.000 0.767 65 G HN 0.496 nan 8.290 nan 0.000 0.552 66 R N -1.495 119.064 120.500 0.099 0.000 2.090 66 R HA -0.038 4.295 4.340 -0.013 0.000 0.228 66 R C 2.249 178.629 176.300 0.134 0.000 1.110 66 R CA 0.901 57.045 56.100 0.073 0.000 0.973 66 R CB -0.335 29.990 30.300 0.041 0.000 0.869 66 R HN 0.461 nan 8.270 nan 0.000 0.440 67 W N 1.556 122.837 121.300 -0.031 0.000 2.335 67 W HA -0.125 4.528 4.660 -0.012 0.000 0.311 67 W C 1.668 178.159 176.519 -0.046 0.000 1.213 67 W CA 1.088 58.411 57.345 -0.037 0.000 1.274 67 W CB -0.611 28.848 29.460 -0.002 0.000 1.148 67 W HN -0.013 nan 8.180 nan 0.000 0.498 68 I N 0.775 121.413 120.570 0.112 0.000 2.252 68 I HA -0.335 3.828 4.170 -0.013 0.000 0.245 68 I C 2.616 178.721 176.117 -0.019 0.000 1.102 68 I CA 1.791 63.070 61.300 -0.034 0.000 1.385 68 I CB -0.462 37.521 38.000 -0.028 0.000 1.064 68 I HN -0.042 nan 8.210 nan 0.000 0.414 69 R N -0.182 120.321 120.500 0.006 0.000 2.115 69 R HA -0.034 4.298 4.340 -0.013 0.000 0.226 69 R C 2.060 178.331 176.300 -0.049 0.000 1.100 69 R CA 1.501 57.598 56.100 -0.005 0.000 0.980 69 R CB -1.179 29.119 30.300 -0.003 0.000 0.875 69 R HN 0.228 nan 8.270 nan 0.000 0.445 70 T N 1.652 116.146 114.554 -0.101 0.000 2.643 70 T HA -0.128 4.215 4.350 -0.013 0.000 0.264 70 T C 1.873 176.293 174.700 -0.467 0.000 1.045 70 T CA 1.298 63.214 62.100 -0.306 0.000 1.155 70 T CB -0.140 68.584 68.868 -0.239 0.000 0.863 70 T HN 0.175 nan 8.240 nan 0.000 0.420 71 Q N 0.776 120.446 119.800 -0.217 0.000 2.096 71 Q HA -0.120 4.213 4.340 -0.013 0.000 0.204 71 Q C 2.376 178.389 176.000 0.021 0.000 0.982 71 Q CA 1.475 57.227 55.803 -0.086 0.000 0.850 71 Q CB -0.624 28.093 28.738 -0.036 0.000 0.901 71 Q HN 0.492 nan 8.270 nan 0.000 0.422 72 Q N -0.036 119.774 119.800 0.016 0.000 2.084 72 Q HA -0.181 4.152 4.340 -0.013 0.000 0.202 72 Q C 1.880 177.979 176.000 0.164 0.000 0.978 72 Q CA 2.018 57.880 55.803 0.100 0.000 0.844 72 Q CB -0.458 28.317 28.738 0.061 0.000 0.898 72 Q HN 0.576 nan 8.270 nan 0.000 0.426 73 H N -0.901 118.158 119.070 -0.017 0.000 2.290 73 H HA -0.191 4.358 4.556 -0.013 0.000 0.298 73 H C 1.226 176.643 175.328 0.148 0.000 1.087 73 H CA 2.427 58.480 56.048 0.008 0.000 1.291 73 H CB -0.365 29.335 29.762 -0.103 0.000 1.369 73 H HN 0.354 nan 8.280 nan 0.000 0.492 74 Y N -0.968 119.433 120.300 0.168 0.000 2.315 74 Y HA -0.218 4.324 4.550 -0.013 0.000 0.288 74 Y C 2.413 178.368 175.900 0.093 0.000 1.154 74 Y CA 1.058 59.222 58.100 0.107 0.000 1.229 74 Y CB -1.284 37.276 38.460 0.167 0.000 0.980 74 Y HN 0.415 nan 8.280 nan 0.000 0.540 75 Y N 1.054 121.454 120.300 0.167 0.000 2.220 75 Y HA -0.118 4.424 4.550 -0.013 0.000 0.291 75 Y C 2.050 177.970 175.900 0.034 0.000 1.129 75 Y CA 1.425 59.582 58.100 0.096 0.000 1.161 75 Y CB -0.079 38.422 38.460 0.068 0.000 0.997 75 Y HN 0.023 nan 8.280 nan 0.000 0.522 76 E N 0.372 120.509 120.200 -0.106 0.000 2.015 76 E HA -0.153 4.189 4.350 -0.013 0.000 0.191 76 E C 1.994 178.460 176.600 -0.223 0.000 0.991 76 E CA 1.159 57.430 56.400 -0.215 0.000 0.802 76 E CB -0.202 29.432 29.700 -0.109 0.000 0.759 76 E HN 0.342 nan 8.360 nan 0.000 0.447 77 K N 0.787 121.051 120.400 -0.226 0.000 2.148 77 K HA -0.106 4.206 4.320 -0.013 0.000 0.204 77 K C 0.279 176.822 176.600 -0.096 0.000 1.050 77 K CA 0.722 56.902 56.287 -0.179 0.000 0.942 77 K CB -0.505 31.843 32.500 -0.253 0.000 0.724 77 K HN 0.122 nan 8.250 nan 0.000 0.446 78 D N 0.271 120.636 120.400 -0.058 0.000 2.746 78 D HA -0.098 4.535 4.640 -0.013 0.000 0.241 78 D C -2.364 173.943 176.300 0.012 0.000 1.140 78 D CA 0.113 54.107 54.000 -0.010 0.000 0.707 78 D CB -0.257 40.518 40.800 -0.041 0.000 1.034 78 D HN 0.169 nan 8.370 nan 0.000 0.423 79 P HA 0.184 nan 4.420 nan 0.000 0.282 79 P C -0.226 177.057 177.300 -0.028 0.000 1.287 79 P CA -0.714 62.375 63.100 -0.018 0.000 0.792 79 P CB 0.608 32.281 31.700 -0.046 0.000 1.163 80 K N 0.626 121.005 120.400 -0.034 0.000 2.401 80 K HA 0.103 4.416 4.320 -0.013 0.000 0.278 80 K C -0.150 176.376 176.600 -0.123 0.000 1.018 80 K CA -0.075 56.182 56.287 -0.049 0.000 0.981 80 K CB 0.228 32.711 32.500 -0.028 0.000 0.933 80 K HN 0.217 nan 8.250 nan 0.000 0.477 81 R N 3.796 124.212 120.500 -0.140 0.000 2.346 81 R HA 0.345 4.678 4.340 -0.013 0.000 0.311 81 R C -0.608 175.435 176.300 -0.427 0.000 0.983 81 R CA -0.493 55.453 56.100 -0.258 0.000 0.880 81 R CB 0.828 31.006 30.300 -0.204 0.000 1.100 81 R HN 0.505 nan 8.270 nan 0.000 0.453 82 I N 4.370 124.631 120.570 -0.515 0.000 2.336 82 I HA 0.234 4.396 4.170 -0.013 0.000 0.292 82 I C -0.568 175.239 176.117 -0.518 0.000 0.991 82 I CA -0.778 60.158 61.300 -0.607 0.000 1.227 82 I CB 0.811 38.317 38.000 -0.823 0.000 1.366 82 I HN 0.531 nan 8.210 nan 0.000 0.466 83 Y N 5.642 125.901 120.300 -0.067 0.000 2.345 83 Y HA 0.288 4.830 4.550 -0.013 0.000 0.331 83 Y C -0.358 175.644 175.900 0.170 0.000 0.959 83 Y CA -0.736 57.450 58.100 0.144 0.000 1.204 83 Y CB 1.245 39.741 38.460 0.060 0.000 1.135 83 Y HN 0.404 nan 8.280 nan 0.000 0.477 84 Y N 4.678 125.164 120.300 0.309 0.000 2.594 84 Y HA 0.456 4.998 4.550 -0.012 0.000 0.342 84 Y C -1.108 175.064 175.900 0.453 0.000 1.010 84 Y CA -0.961 57.334 58.100 0.324 0.000 1.270 84 Y CB 0.153 38.806 38.460 0.321 0.000 1.125 84 Y HN 0.514 nan 8.280 nan 0.000 0.513 85 L N 4.707 126.011 121.223 0.135 0.000 2.313 85 L HA 0.425 4.757 4.340 -0.013 0.000 0.282 85 L C -0.080 176.816 176.870 0.043 0.000 1.092 85 L CA 0.251 55.208 54.840 0.194 0.000 0.831 85 L CB 1.126 43.258 42.059 0.122 0.000 1.159 85 L HN 0.570 nan 8.230 nan 0.000 0.442 86 S N 2.753 118.561 115.700 0.180 0.000 2.543 86 S HA 0.441 4.903 4.470 -0.013 0.000 0.273 86 S C 0.145 174.834 174.600 0.149 0.000 1.152 86 S CA -0.579 57.624 58.200 0.004 0.000 0.910 86 S CB 0.881 63.869 63.200 -0.353 0.000 1.105 86 S HN 0.451 nan 8.310 nan 0.000 0.465 87 L N 2.959 124.315 121.223 0.222 0.000 2.599 87 L HA 0.451 4.784 4.340 -0.013 0.000 0.230 87 L C 0.463 177.530 176.870 0.329 0.000 1.141 87 L CA 1.056 56.091 54.840 0.325 0.000 0.877 87 L CB -0.158 42.101 42.059 0.332 0.000 1.009 87 L HN 0.675 nan 8.230 nan 0.000 0.447 88 E N -1.528 118.734 120.200 0.104 0.000 2.314 88 E HA 0.437 4.779 4.350 -0.013 0.000 0.272 88 E C -1.436 175.040 176.600 -0.207 0.000 0.884 88 E CA -0.525 55.922 56.400 0.079 0.000 0.753 88 E CB 2.014 31.742 29.700 0.046 0.000 1.213 88 E HN -0.199 nan 8.360 nan 0.000 0.432 89 F N 1.996 122.055 119.950 0.182 0.000 3.034 89 F HA 0.163 4.682 4.527 -0.013 0.000 0.371 89 F C -1.058 174.829 175.800 0.144 0.000 1.233 89 F CA -0.655 57.445 58.000 0.166 0.000 1.134 89 F CB 0.880 39.972 39.000 0.154 0.000 1.495 89 F HN 0.465 nan 8.300 nan 0.000 0.563 90 Y N 5.184 125.565 120.300 0.134 0.000 2.632 90 Y HA 0.214 4.757 4.550 -0.012 0.000 0.336 90 Y C 1.071 176.993 175.900 0.036 0.000 1.237 90 Y CA -0.915 57.212 58.100 0.045 0.000 1.595 90 Y CB 0.354 38.823 38.460 0.015 0.000 1.508 90 Y HN 0.510 nan 8.280 nan 0.000 0.480 91 M N 1.350 121.084 119.600 0.223 0.000 2.288 91 M HA 0.120 4.592 4.480 -0.013 0.000 0.266 91 M C 1.509 177.787 176.300 -0.037 0.000 1.072 91 M CA 1.055 56.393 55.300 0.064 0.000 1.132 91 M CB -1.235 31.378 32.600 0.022 0.000 1.386 91 M HN 0.657 nan 8.290 nan 0.000 0.432 92 G N 1.236 110.028 108.800 -0.012 0.000 2.645 92 G HA2 -0.271 3.682 3.960 -0.013 0.000 0.239 92 G HA3 -0.271 3.682 3.960 -0.013 0.000 0.239 92 G C -0.447 174.405 174.900 -0.079 0.000 1.331 92 G CA -0.332 44.718 45.100 -0.082 0.000 0.890 92 G HN 0.466 nan 8.290 nan 0.000 0.572 93 R N -0.771 119.667 120.500 -0.104 0.000 2.679 93 R HA 0.532 4.865 4.340 -0.013 0.000 0.269 93 R C 1.544 177.727 176.300 -0.195 0.000 1.076 93 R CA 0.511 56.556 56.100 -0.091 0.000 1.160 93 R CB 0.563 30.811 30.300 -0.086 0.000 1.054 93 R HN 0.918 nan 8.270 nan 0.000 0.507 94 T N -0.278 114.106 114.554 -0.283 0.000 3.058 94 T HA 0.062 4.404 4.350 -0.013 0.000 0.278 94 T C 1.011 175.316 174.700 -0.658 0.000 0.974 94 T CA -0.297 61.465 62.100 -0.564 0.000 0.893 94 T CB 0.192 68.529 68.868 -0.885 0.000 1.138 94 T HN 0.348 nan 8.240 nan 0.000 0.529 95 L N 1.632 122.696 121.223 -0.265 0.000 2.007 95 L HA 0.246 4.579 4.340 -0.013 0.000 0.205 95 L C 2.579 179.403 176.870 -0.077 0.000 1.073 95 L CA 2.120 56.941 54.840 -0.033 0.000 0.744 95 L CB -0.851 41.402 42.059 0.323 0.000 0.898 95 L HN 0.372 nan 8.230 nan 0.000 0.435 96 Q N -0.509 119.250 119.800 -0.069 0.000 2.050 96 Q HA -0.269 4.063 4.340 -0.013 0.000 0.202 96 Q C 2.235 178.163 176.000 -0.121 0.000 0.980 96 Q CA 2.023 57.783 55.803 -0.073 0.000 0.840 96 Q CB -0.375 28.317 28.738 -0.076 0.000 0.898 96 Q HN 0.695 nan 8.270 nan 0.000 0.424 97 N N -1.031 117.559 118.700 -0.184 0.000 2.094 97 N HA -0.167 4.566 4.740 -0.013 0.000 0.191 97 N C 1.402 176.807 175.510 -0.174 0.000 1.023 97 N CA 1.877 54.811 53.050 -0.195 0.000 0.857 97 N CB 0.009 38.345 38.487 -0.251 0.000 1.013 97 N HN 0.246 nan 8.380 nan 0.000 0.426 98 T N 1.208 115.625 114.554 -0.228 0.000 2.777 98 T HA -0.050 4.292 4.350 -0.013 0.000 0.266 98 T C 2.064 176.700 174.700 -0.105 0.000 1.040 98 T CA 1.023 63.004 62.100 -0.198 0.000 1.141 98 T CB -0.061 68.641 68.868 -0.278 0.000 0.868 98 T HN 0.266 nan 8.240 nan 0.000 0.444 99 M N 0.514 120.067 119.600 -0.077 0.000 2.086 99 M HA -0.103 4.369 4.480 -0.013 0.000 0.261 99 M C 2.468 178.735 176.300 -0.054 0.000 1.067 99 M CA 1.318 56.588 55.300 -0.050 0.000 1.116 99 M CB -0.635 31.950 32.600 -0.025 0.000 1.348 99 M HN 0.099 nan 8.290 nan 0.000 0.407 100 V N 0.928 120.816 119.914 -0.044 0.000 2.255 100 V HA -0.287 3.826 4.120 -0.013 0.000 0.247 100 V C 1.779 177.888 176.094 0.025 0.000 1.051 100 V CA 2.000 64.300 62.300 -0.000 0.000 1.018 100 V CB -0.869 30.953 31.823 -0.001 0.000 0.641 100 V HN 0.475 nan 8.190 nan 0.000 0.445 101 N N -0.422 118.281 118.700 0.005 0.000 2.520 101 N HA -0.052 4.681 4.740 -0.013 0.000 0.185 101 N C 1.009 176.423 175.510 -0.161 0.000 1.068 101 N CA 0.710 53.743 53.050 -0.028 0.000 0.911 101 N CB -0.056 38.422 38.487 -0.015 0.000 0.961 101 N HN 0.283 nan 8.380 nan 0.000 0.446 102 L N -0.493 120.656 121.223 -0.124 0.000 2.693 102 L HA 0.415 4.747 4.340 -0.013 0.000 0.235 102 L C 0.566 177.358 176.870 -0.131 0.000 1.127 102 L CA -0.249 54.517 54.840 -0.124 0.000 0.914 102 L CB -0.674 41.335 42.059 -0.083 0.000 1.193 102 L HN 0.080 nan 8.230 nan 0.000 0.502 103 A N -0.508 122.234 122.820 -0.130 0.000 2.869 103 A HA -0.224 4.088 4.320 -0.013 0.000 0.280 103 A C 1.121 178.651 177.584 -0.089 0.000 1.458 103 A CA 1.028 53.001 52.037 -0.106 0.000 0.776 103 A CB -1.936 16.989 19.000 -0.125 0.000 1.028 103 A HN 0.228 nan 8.150 nan 0.000 0.547 104 L N -0.953 120.217 121.223 -0.089 0.000 2.638 104 L HA 0.243 4.576 4.340 -0.013 0.000 0.232 104 L C 1.859 178.693 176.870 -0.060 0.000 1.099 104 L CA 1.627 56.409 54.840 -0.098 0.000 0.883 104 L CB -0.326 41.651 42.059 -0.137 0.000 1.136 104 L HN 0.617 nan 8.230 nan 0.000 0.492 105 E N -0.095 120.080 120.200 -0.042 0.000 2.086 105 E HA -0.274 4.068 4.350 -0.013 0.000 0.200 105 E C 1.680 178.267 176.600 -0.021 0.000 1.012 105 E CA 1.754 58.140 56.400 -0.024 0.000 0.812 105 E CB 0.204 29.892 29.700 -0.019 0.000 0.743 105 E HN 0.380 nan 8.360 nan 0.000 0.453 106 N N -0.326 118.358 118.700 -0.026 0.000 2.216 106 N HA -0.082 4.650 4.740 -0.013 0.000 0.183 106 N C 1.482 176.976 175.510 -0.026 0.000 1.017 106 N CA 1.204 54.238 53.050 -0.027 0.000 0.861 106 N CB -0.374 38.096 38.487 -0.029 0.000 0.986 106 N HN 0.251 nan 8.380 nan 0.000 0.428 107 A N 0.250 123.053 122.820 -0.029 0.000 1.877 107 A HA -0.149 4.163 4.320 -0.013 0.000 0.216 107 A C 2.666 180.242 177.584 -0.014 0.000 1.186 107 A CA 1.356 53.378 52.037 -0.024 0.000 0.620 107 A CB -1.074 17.903 19.000 -0.039 0.000 0.822 107 A HN 0.436 nan 8.150 nan 0.000 0.443 108 C N -0.875 118.417 119.300 -0.014 0.000 2.429 108 C HA -0.079 4.373 4.460 -0.013 0.000 0.277 108 C C 2.501 177.494 174.990 0.006 0.000 1.262 108 C CA 1.169 60.191 59.018 0.007 0.000 1.733 108 C CB -1.095 26.659 27.740 0.023 0.000 2.010 108 C HN 0.668 nan 8.230 nan 0.000 0.483 109 D N 0.494 120.895 120.400 0.003 0.000 2.097 109 D HA -0.136 4.496 4.640 -0.013 0.000 0.195 109 D C 2.111 178.424 176.300 0.021 0.000 0.989 109 D CA 1.537 55.541 54.000 0.007 0.000 0.827 109 D CB -0.270 40.522 40.800 -0.012 0.000 0.966 109 D HN 0.484 nan 8.370 nan 0.000 0.456 110 E N 0.606 120.808 120.200 0.004 0.000 2.007 110 E HA -0.110 4.233 4.350 -0.013 0.000 0.194 110 E C 1.940 178.582 176.600 0.070 0.000 0.999 110 E CA 1.908 58.324 56.400 0.027 0.000 0.811 110 E CB -0.728 28.972 29.700 0.001 0.000 0.762 110 E HN 0.170 nan 8.360 nan 0.000 0.450 111 A N -0.137 122.693 122.820 0.017 0.000 1.903 111 A HA -0.282 4.031 4.320 -0.013 0.000 0.219 111 A C 2.521 180.044 177.584 -0.102 0.000 1.191 111 A CA 3.410 55.432 52.037 -0.024 0.000 0.638 111 A CB -1.696 17.290 19.000 -0.023 0.000 0.823 111 A HN 0.569 nan 8.150 nan 0.000 0.451 112 T N -3.866 110.619 114.554 -0.115 0.000 2.867 112 T HA -0.198 4.144 4.350 -0.013 0.000 0.268 112 T C 1.790 176.407 174.700 -0.138 0.000 1.057 112 T CA 1.515 63.481 62.100 -0.222 0.000 1.136 112 T CB -0.523 68.258 68.868 -0.146 0.000 0.874 112 T HN 0.519 nan 8.240 nan 0.000 0.466 113 Y N 1.977 122.196 120.300 -0.134 0.000 2.163 113 Y HA -0.036 4.507 4.550 -0.012 0.000 0.288 113 Y C 2.683 178.521 175.900 -0.103 0.000 1.136 113 Y CA 1.460 59.500 58.100 -0.099 0.000 1.147 113 Y CB -0.477 37.945 38.460 -0.065 0.000 0.987 113 Y HN 0.190 nan 8.280 nan 0.000 0.509 114 Q N -0.729 119.034 119.800 -0.062 0.000 2.226 114 Q HA -0.148 4.184 4.340 -0.013 0.000 0.204 114 Q C 1.569 177.449 176.000 -0.200 0.000 0.975 114 Q CA 0.979 56.703 55.803 -0.131 0.000 0.866 114 Q CB -0.100 28.632 28.738 -0.011 0.000 0.915 114 Q HN 0.359 nan 8.270 nan 0.000 0.440 115 L N -0.838 120.245 121.223 -0.233 0.000 2.599 115 L HA 0.106 4.438 4.340 -0.013 0.000 0.230 115 L C 1.157 177.858 176.870 -0.282 0.000 1.141 115 L CA 1.327 56.007 54.840 -0.266 0.000 0.877 115 L CB -0.538 41.263 42.059 -0.430 0.000 1.009 115 L HN 0.340 nan 8.230 nan 0.000 0.447 116 G N -0.239 108.373 108.800 -0.314 0.000 2.160 116 G HA2 -0.257 3.695 3.960 -0.013 0.000 0.244 116 G HA3 -0.257 3.695 3.960 -0.013 0.000 0.244 116 G C 0.077 174.822 174.900 -0.257 0.000 1.022 116 G CA 0.443 45.361 45.100 -0.303 0.000 0.741 116 G HN 0.317 nan 8.290 nan 0.000 0.508 117 L N -0.503 120.569 121.223 -0.253 0.000 2.341 117 L HA 0.642 4.974 4.340 -0.013 0.000 0.267 117 L C -0.508 176.319 176.870 -0.071 0.000 1.009 117 L CA -1.227 53.500 54.840 -0.188 0.000 0.819 117 L CB 1.835 43.722 42.059 -0.288 0.000 1.323 117 L HN 0.042 nan 8.230 nan 0.000 0.425 118 D N 1.675 122.067 120.400 -0.013 0.000 2.396 118 D HA 0.177 4.809 4.640 -0.013 0.000 0.225 118 D C 0.672 177.002 176.300 0.050 0.000 1.121 118 D CA -0.234 53.789 54.000 0.038 0.000 0.853 118 D CB 1.451 42.279 40.800 0.046 0.000 1.043 118 D HN 0.528 nan 8.370 nan 0.000 0.500 119 M N 3.245 122.876 119.600 0.052 0.000 2.106 119 M HA -0.192 4.280 4.480 -0.013 0.000 0.259 119 M C 1.462 177.805 176.300 0.072 0.000 1.068 119 M CA 1.669 57.009 55.300 0.067 0.000 1.100 119 M CB 0.145 32.778 32.600 0.055 0.000 1.351 119 M HN 0.410 nan 8.290 nan 0.000 0.404 120 E N -0.326 119.908 120.200 0.057 0.000 2.118 120 E HA -0.272 4.070 4.350 -0.013 0.000 0.195 120 E C 1.912 178.545 176.600 0.055 0.000 0.992 120 E CA 1.575 58.005 56.400 0.051 0.000 0.804 120 E CB -0.201 29.527 29.700 0.047 0.000 0.741 120 E HN 0.653 nan 8.360 nan 0.000 0.458 121 E N 0.243 120.480 120.200 0.061 0.000 2.106 121 E HA -0.191 4.151 4.350 -0.013 0.000 0.192 121 E C 1.900 178.540 176.600 0.067 0.000 0.984 121 E CA 0.542 56.978 56.400 0.060 0.000 0.806 121 E CB 0.195 29.933 29.700 0.063 0.000 0.750 121 E HN 0.077 nan 8.360 nan 0.000 0.458 122 L N 1.159 122.442 121.223 0.100 0.000 2.109 122 L HA -0.088 4.244 4.340 -0.013 0.000 0.207 122 L C 2.068 178.980 176.870 0.070 0.000 1.086 122 L CA 1.556 56.484 54.840 0.147 0.000 0.760 122 L CB -0.607 41.599 42.059 0.245 0.000 0.910 122 L HN 0.101 nan 8.230 nan 0.000 0.437 123 E N -0.597 119.641 120.200 0.064 0.000 2.160 123 E HA -0.206 4.136 4.350 -0.013 0.000 0.195 123 E C 1.741 178.292 176.600 -0.082 0.000 0.991 123 E CA 0.787 57.193 56.400 0.009 0.000 0.810 123 E CB 0.105 29.823 29.700 0.029 0.000 0.742 123 E HN 0.358 nan 8.360 nan 0.000 0.466 124 E N -0.068 120.102 120.200 -0.049 0.000 2.418 124 E HA -0.086 4.256 4.350 -0.013 0.000 0.197 124 E C 1.680 178.209 176.600 -0.117 0.000 1.026 124 E CA 0.470 56.842 56.400 -0.047 0.000 0.862 124 E CB 0.136 29.843 29.700 0.012 0.000 0.799 124 E HN 0.404 nan 8.360 nan 0.000 0.518 125 I N 0.659 121.093 120.570 -0.226 0.000 3.030 125 I HA -0.074 4.088 4.170 -0.013 0.000 0.270 125 I C 1.251 177.052 176.117 -0.526 0.000 1.211 125 I CA 0.111 61.217 61.300 -0.324 0.000 1.479 125 I CB 0.255 38.081 38.000 -0.290 0.000 1.105 125 I HN -0.047 nan 8.210 nan 0.000 0.447 126 E N 2.459 122.222 120.200 -0.728 0.000 2.376 126 E HA -0.072 4.270 4.350 -0.013 0.000 0.266 126 E C -0.004 176.483 176.600 -0.190 0.000 1.009 126 E CA -0.122 55.901 56.400 -0.628 0.000 0.902 126 E CB 0.575 30.012 29.700 -0.438 0.000 0.972 126 E HN 0.094 nan 8.360 nan 0.000 0.439 127 E N 3.229 123.410 120.200 -0.032 0.000 2.354 127 E HA 0.064 4.407 4.350 -0.013 0.000 0.269 127 E C -1.084 175.613 176.600 0.162 0.000 1.036 127 E CA -0.395 56.073 56.400 0.113 0.000 0.876 127 E CB 0.781 30.625 29.700 0.241 0.000 1.009 127 E HN 0.394 nan 8.360 nan 0.000 0.416 128 D N 1.954 122.426 120.400 0.120 0.000 2.414 128 D HA 0.220 4.852 4.640 -0.013 0.000 0.242 128 D C -0.799 175.539 176.300 0.064 0.000 1.129 128 D CA 0.341 54.387 54.000 0.077 0.000 0.885 128 D CB 0.918 41.748 40.800 0.050 0.000 1.198 128 D HN 0.446 nan 8.370 nan 0.000 0.437 129 A N 2.468 125.278 122.820 -0.015 0.000 2.923 129 A HA 0.453 4.765 4.320 -0.013 0.000 0.306 129 A C 1.020 178.450 177.584 -0.257 0.000 1.542 129 A CA -0.464 51.391 52.037 -0.304 0.000 1.225 129 A CB -0.324 18.574 19.000 -0.171 0.000 1.147 129 A HN 0.531 nan 8.150 nan 0.000 0.542 130 G N 1.500 110.112 108.800 -0.314 0.000 3.455 130 G HA2 0.363 4.315 3.960 -0.013 0.000 0.250 130 G HA3 0.363 4.315 3.960 -0.013 0.000 0.250 130 G C 0.353 174.997 174.900 -0.428 0.000 1.071 130 G CA -0.258 44.699 45.100 -0.238 0.000 1.812 130 G HN 0.685 nan 8.290 nan 0.000 0.643 131 L N 1.370 122.401 121.223 -0.320 0.000 2.955 131 L HA 0.390 4.722 4.340 -0.013 0.000 0.238 131 L C 1.032 177.822 176.870 -0.134 0.000 1.359 131 L CA -0.238 54.518 54.840 -0.140 0.000 1.214 131 L CB -0.489 41.620 42.059 0.083 0.000 1.600 131 L HN 0.308 nan 8.230 nan 0.000 0.442 132 G N -1.146 107.351 108.800 -0.506 0.000 2.623 132 G HA2 0.201 4.153 3.960 -0.013 0.000 0.290 132 G HA3 0.201 4.153 3.960 -0.013 0.000 0.290 132 G C -0.194 174.285 174.900 -0.702 0.000 1.437 132 G CA -0.453 44.353 45.100 -0.490 0.000 0.798 132 G HN -0.054 nan 8.290 nan 0.000 0.488 133 N N -0.895 117.621 118.700 -0.306 0.000 2.436 133 N HA 0.222 4.954 4.740 -0.013 0.000 0.178 133 N C 1.147 176.687 175.510 0.051 0.000 1.026 133 N CA 1.268 54.228 53.050 -0.150 0.000 0.880 133 N CB 1.300 39.791 38.487 0.007 0.000 1.061 133 N HN 0.800 nan 8.380 nan 0.000 0.434 134 G N -0.669 108.235 108.800 0.174 0.000 3.078 134 G HA2 0.241 4.194 3.960 -0.013 0.000 0.131 134 G HA3 0.241 4.194 3.960 -0.013 0.000 0.131 134 G C 0.760 175.786 174.900 0.210 0.000 1.219 134 G CA 0.292 45.554 45.100 0.271 0.000 1.319 134 G HN 0.172 nan 8.290 nan 0.000 0.653 135 G N 0.501 109.367 108.800 0.111 0.000 2.491 135 G HA2 -0.150 3.802 3.960 -0.013 0.000 0.218 135 G HA3 -0.150 3.802 3.960 -0.013 0.000 0.218 135 G C 1.902 176.799 174.900 -0.004 0.000 1.180 135 G CA 1.532 46.657 45.100 0.041 0.000 0.774 135 G HN 0.800 nan 8.290 nan 0.000 0.562 136 L N 0.638 121.836 121.223 -0.041 0.000 2.042 136 L HA 0.039 4.372 4.340 -0.013 0.000 0.210 136 L C 2.799 179.614 176.870 -0.092 0.000 1.076 136 L CA 2.137 56.875 54.840 -0.170 0.000 0.749 136 L CB -0.547 41.379 42.059 -0.222 0.000 0.893 136 L HN 0.248 nan 8.230 nan 0.000 0.432 137 G N -0.956 107.852 108.800 0.013 0.000 2.403 137 G HA2 -0.213 3.739 3.960 -0.013 0.000 0.216 137 G HA3 -0.213 3.739 3.960 -0.013 0.000 0.216 137 G C 1.686 176.665 174.900 0.131 0.000 1.154 137 G CA 0.150 45.282 45.100 0.053 0.000 0.784 137 G HN 0.170 nan 8.290 nan 0.000 0.538 138 R N 0.038 120.638 120.500 0.166 0.000 2.115 138 R HA 0.116 4.448 4.340 -0.013 0.000 0.226 138 R C 2.449 178.763 176.300 0.025 0.000 1.100 138 R CA 0.616 56.786 56.100 0.117 0.000 0.980 138 R CB -0.891 29.440 30.300 0.050 0.000 0.875 138 R HN 0.406 nan 8.270 nan 0.000 0.445 139 L N 0.673 121.845 121.223 -0.084 0.000 2.012 139 L HA -0.104 4.228 4.340 -0.013 0.000 0.210 139 L C 2.210 178.832 176.870 -0.414 0.000 1.073 139 L CA 2.203 56.863 54.840 -0.299 0.000 0.748 139 L CB -0.713 41.123 42.059 -0.371 0.000 0.891 139 L HN 0.175 nan 8.230 nan 0.000 0.431 140 A N -0.605 122.091 122.820 -0.207 0.000 1.908 140 A HA -0.181 4.132 4.320 -0.013 0.000 0.218 140 A C 2.433 180.087 177.584 0.118 0.000 1.181 140 A CA 1.966 53.959 52.037 -0.073 0.000 0.627 140 A CB -1.168 17.769 19.000 -0.106 0.000 0.818 140 A HN 0.581 nan 8.150 nan 0.000 0.445 141 A N -1.307 121.613 122.820 0.168 0.000 1.898 141 A HA -0.128 4.184 4.320 -0.013 0.000 0.216 141 A C 2.299 179.961 177.584 0.131 0.000 1.181 141 A CA 1.584 53.738 52.037 0.195 0.000 0.620 141 A CB -1.177 17.924 19.000 0.168 0.000 0.819 141 A HN 0.589 nan 8.150 nan 0.000 0.442 142 C N -1.588 117.788 119.300 0.126 0.000 2.446 142 C HA -0.027 4.425 4.460 -0.013 0.000 0.277 142 C C 2.405 177.553 174.990 0.263 0.000 1.275 142 C CA 0.535 59.661 59.018 0.181 0.000 1.727 142 C CB -1.546 26.318 27.740 0.206 0.000 2.010 142 C HN 0.612 nan 8.230 nan 0.000 0.486 143 F N 0.534 120.474 119.950 -0.017 0.000 2.134 143 F HA -0.087 4.432 4.527 -0.013 0.000 0.299 143 F C 2.116 177.858 175.800 -0.097 0.000 1.097 143 F CA 1.118 59.055 58.000 -0.105 0.000 1.264 143 F CB -1.341 37.458 39.000 -0.335 0.000 1.001 143 F HN 0.093 nan 8.300 nan 0.000 0.479 144 L N 0.363 121.660 121.223 0.123 0.000 2.012 144 L HA -0.235 4.097 4.340 -0.013 0.000 0.210 144 L C 2.437 179.320 176.870 0.022 0.000 1.073 144 L CA 1.962 56.831 54.840 0.048 0.000 0.748 144 L CB -1.240 40.856 42.059 0.062 0.000 0.891 144 L HN 0.180 nan 8.230 nan 0.000 0.431 145 D N -1.329 119.092 120.400 0.035 0.000 2.123 145 D HA -0.187 4.446 4.640 -0.013 0.000 0.196 145 D C 1.928 178.245 176.300 0.028 0.000 0.992 145 D CA 1.641 55.648 54.000 0.011 0.000 0.833 145 D CB 0.402 41.207 40.800 0.007 0.000 0.954 145 D HN 0.313 nan 8.370 nan 0.000 0.455 146 S N -0.269 115.465 115.700 0.058 0.000 2.368 146 S HA -0.049 4.413 4.470 -0.013 0.000 0.224 146 S C 2.123 176.739 174.600 0.026 0.000 1.029 146 S CA 0.723 58.952 58.200 0.049 0.000 0.988 146 S CB -0.107 63.134 63.200 0.069 0.000 0.838 146 S HN 0.333 nan 8.310 nan 0.000 0.462 147 M N 0.872 120.479 119.600 0.010 0.000 2.213 147 M HA -0.096 4.377 4.480 -0.013 0.000 0.263 147 M C 2.295 178.592 176.300 -0.005 0.000 1.062 147 M CA 1.289 56.589 55.300 -0.001 0.000 1.105 147 M CB -0.398 32.181 32.600 -0.035 0.000 1.385 147 M HN 0.390 nan 8.290 nan 0.000 0.417 148 A N -0.529 122.287 122.820 -0.006 0.000 1.898 148 A HA -0.084 4.229 4.320 -0.013 0.000 0.214 148 A C 2.142 179.736 177.584 0.017 0.000 1.183 148 A CA 1.717 53.752 52.037 -0.003 0.000 0.622 148 A CB -0.891 18.093 19.000 -0.027 0.000 0.824 148 A HN 0.376 nan 8.150 nan 0.000 0.444 149 T N 0.287 114.858 114.554 0.029 0.000 2.915 149 T HA 0.037 4.379 4.350 -0.013 0.000 0.269 149 T C 1.232 175.960 174.700 0.047 0.000 1.071 149 T CA 0.930 63.062 62.100 0.053 0.000 1.132 149 T CB -0.249 68.663 68.868 0.073 0.000 0.878 149 T HN 0.320 nan 8.240 nan 0.000 0.479 150 L N 0.613 121.859 121.223 0.038 0.000 2.685 150 L HA 0.308 4.641 4.340 -0.013 0.000 0.233 150 L C 1.467 178.361 176.870 0.040 0.000 1.173 150 L CA -0.250 54.613 54.840 0.039 0.000 0.961 150 L CB -0.443 41.641 42.059 0.041 0.000 1.217 150 L HN 0.344 nan 8.230 nan 0.000 0.478 151 G N 1.504 110.329 108.800 0.041 0.000 2.366 151 G HA2 -0.285 3.667 3.960 -0.013 0.000 0.299 151 G HA3 -0.285 3.667 3.960 -0.013 0.000 0.299 151 G C -0.013 174.914 174.900 0.044 0.000 1.020 151 G CA 0.140 45.276 45.100 0.059 0.000 1.026 151 G HN 0.301 nan 8.290 nan 0.000 0.512 152 L N -0.242 120.980 121.223 -0.001 0.000 2.307 152 L HA 0.618 4.950 4.340 -0.013 0.000 0.282 152 L C 1.154 177.879 176.870 -0.241 0.000 1.051 152 L CA -0.568 54.222 54.840 -0.084 0.000 0.804 152 L CB 1.799 43.826 42.059 -0.052 0.000 1.197 152 L HN 0.285 nan 8.230 nan 0.000 0.431 153 A N 3.275 125.810 122.820 -0.475 0.000 3.026 153 A HA 0.532 4.844 4.320 -0.013 0.000 0.272 153 A C 0.373 177.585 177.584 -0.621 0.000 1.782 153 A CA -0.105 51.365 52.037 -0.944 0.000 1.451 153 A CB -0.689 17.690 19.000 -1.035 0.000 1.081 153 A HN 0.693 nan 8.150 nan 0.000 0.611 154 A N 1.403 123.907 122.820 -0.527 0.000 2.340 154 A HA 0.791 5.103 4.320 -0.013 0.000 0.331 154 A C -1.071 176.218 177.584 -0.492 0.000 1.140 154 A CA -0.451 51.330 52.037 -0.428 0.000 0.801 154 A CB 0.747 19.582 19.000 -0.275 0.000 1.234 154 A HN 0.577 nan 8.150 nan 0.000 0.469 155 Y N 0.260 120.490 120.300 -0.116 0.000 2.391 155 Y HA 0.551 5.093 4.550 -0.012 0.000 0.341 155 Y C 0.798 176.797 175.900 0.166 0.000 0.965 155 Y CA -0.659 57.456 58.100 0.026 0.000 1.067 155 Y CB 2.246 40.806 38.460 0.168 0.000 1.199 155 Y HN 0.820 nan 8.280 nan 0.000 0.450 156 G N 2.172 111.070 108.800 0.162 0.000 2.325 156 G HA2 0.451 4.404 3.960 -0.013 0.000 0.298 156 G HA3 0.451 4.404 3.960 -0.013 0.000 0.298 156 G C -1.757 173.166 174.900 0.039 0.000 1.134 156 G CA -0.276 44.944 45.100 0.199 0.000 0.876 156 G HN 0.515 nan 8.290 nan 0.000 0.452 157 Y N 1.108 121.634 120.300 0.377 0.000 2.350 157 Y HA 0.632 5.174 4.550 -0.013 0.000 0.338 157 Y C 0.740 176.944 175.900 0.507 0.000 0.961 157 Y CA 0.214 58.508 58.100 0.324 0.000 1.100 157 Y CB 2.670 41.355 38.460 0.374 0.000 1.179 157 Y HN 0.874 nan 8.280 nan 0.000 0.454 158 G N 2.405 111.522 108.800 0.529 0.000 2.753 158 G HA2 0.560 4.513 3.960 -0.013 0.000 0.303 158 G HA3 0.560 4.513 3.960 -0.013 0.000 0.303 158 G C -1.752 173.403 174.900 0.425 0.000 1.242 158 G CA -0.807 44.645 45.100 0.587 0.000 0.810 158 G HN 0.423 nan 8.290 nan 0.000 0.515 159 I N 0.685 121.403 120.570 0.248 0.000 2.441 159 I HA 0.429 4.591 4.170 -0.013 0.000 0.295 159 I C 0.194 176.222 176.117 -0.148 0.000 0.994 159 I CA -0.715 60.608 61.300 0.038 0.000 1.144 159 I CB 2.175 39.989 38.000 -0.310 0.000 1.314 159 I HN 0.364 nan 8.210 nan 0.000 0.445 160 R N 6.428 126.940 120.500 0.019 0.000 2.593 160 R HA 0.253 4.586 4.340 -0.013 0.000 0.282 160 R C -1.315 175.051 176.300 0.109 0.000 1.300 160 R CA -0.447 55.703 56.100 0.084 0.000 1.221 160 R CB 0.000 30.328 30.300 0.047 0.000 1.157 160 R HN 0.403 nan 8.270 nan 0.000 0.555 161 Y N 1.778 122.241 120.300 0.272 0.000 2.425 161 Y HA -0.031 4.511 4.550 -0.013 0.000 0.331 161 Y C 1.512 177.601 175.900 0.315 0.000 1.157 161 Y CA -0.082 58.166 58.100 0.247 0.000 1.372 161 Y CB 0.951 39.533 38.460 0.204 0.000 1.253 161 Y HN 0.568 nan 8.280 nan 0.000 0.536 162 E N 0.989 121.367 120.200 0.296 0.000 2.435 162 E HA 0.021 4.364 4.350 -0.013 0.000 0.195 162 E C -0.821 175.690 176.600 -0.150 0.000 1.029 162 E CA 0.513 56.920 56.400 0.012 0.000 0.865 162 E CB 0.099 29.616 29.700 -0.304 0.000 0.833 162 E HN 0.362 nan 8.360 nan 0.000 0.510 163 F N 1.253 121.444 119.950 0.401 0.000 2.496 163 F HA 0.478 4.997 4.527 -0.013 0.000 0.341 163 F C 0.836 176.721 175.800 0.142 0.000 1.134 163 F CA -0.953 57.219 58.000 0.287 0.000 0.968 163 F CB 1.907 41.008 39.000 0.167 0.000 1.205 163 F HN -0.060 nan 8.300 nan 0.000 0.436 164 G N 1.947 110.858 108.800 0.185 0.000 2.546 164 G HA2 0.318 4.271 3.960 -0.013 0.000 0.239 164 G HA3 0.318 4.271 3.960 -0.013 0.000 0.239 164 G C -0.398 174.453 174.900 -0.080 0.000 1.476 164 G CA -0.598 44.447 45.100 -0.092 0.000 1.064 164 G HN 0.495 nan 8.290 nan 0.000 0.561 165 I N 0.969 121.416 120.570 -0.206 0.000 2.710 165 I HA 0.247 4.409 4.170 -0.013 0.000 0.286 165 I C 0.518 176.549 176.117 -0.144 0.000 1.181 165 I CA -1.189 59.973 61.300 -0.231 0.000 1.430 165 I CB -0.181 37.582 38.000 -0.394 0.000 1.367 165 I HN 0.332 nan 8.210 nan 0.000 0.577 166 F N 6.372 126.325 119.950 0.005 0.000 2.589 166 F HA 0.259 4.778 4.527 -0.012 0.000 0.352 166 F C 0.418 176.262 175.800 0.073 0.000 1.168 166 F CA -0.485 57.540 58.000 0.042 0.000 1.353 166 F CB -0.234 38.779 39.000 0.022 0.000 1.116 166 F HN 0.425 nan 8.300 nan 0.000 0.608 167 N N 2.273 121.144 118.700 0.285 0.000 2.472 167 N HA 0.073 4.805 4.740 -0.013 0.000 0.277 167 N C -0.909 174.825 175.510 0.372 0.000 1.081 167 N CA -0.364 52.818 53.050 0.220 0.000 0.973 167 N CB 1.362 39.973 38.487 0.206 0.000 1.105 167 N HN 0.776 nan 8.380 nan 0.000 0.470 168 Q N 2.411 122.398 119.800 0.312 0.000 2.256 168 Q HA 0.222 4.555 4.340 -0.013 0.000 0.254 168 Q C -1.030 175.141 176.000 0.285 0.000 0.916 168 Q CA -0.319 55.714 55.803 0.383 0.000 0.932 168 Q CB 0.849 29.819 28.738 0.386 0.000 1.207 168 Q HN 0.269 nan 8.270 nan 0.000 0.426 169 K N 4.417 124.965 120.400 0.246 0.000 2.324 169 K HA 0.440 4.752 4.320 -0.013 0.000 0.253 169 K C -0.891 175.814 176.600 0.175 0.000 0.932 169 K CA -0.932 55.475 56.287 0.200 0.000 0.799 169 K CB 1.608 34.204 32.500 0.159 0.000 1.154 169 K HN 0.638 nan 8.250 nan 0.000 0.425 170 I N 2.788 123.456 120.570 0.164 0.000 2.307 170 I HA 0.194 4.356 4.170 -0.013 0.000 0.289 170 I C -0.103 176.077 176.117 0.105 0.000 1.021 170 I CA -0.686 60.681 61.300 0.111 0.000 1.224 170 I CB 0.541 38.590 38.000 0.081 0.000 1.376 170 I HN 0.461 nan 8.210 nan 0.000 0.470 171 C N 4.199 123.572 119.300 0.121 0.000 2.301 171 C HA 0.577 5.029 4.460 -0.013 0.000 0.323 171 C C 1.207 176.296 174.990 0.165 0.000 1.265 171 C CA -0.365 58.727 59.018 0.124 0.000 1.503 171 C CB 0.466 28.274 27.740 0.114 0.000 2.195 171 C HN 1.084 nan 8.230 nan 0.000 0.477 172 G N 2.799 111.669 108.800 0.115 0.000 2.321 172 G HA2 0.090 4.043 3.960 -0.013 0.000 0.287 172 G HA3 0.090 4.043 3.960 -0.013 0.000 0.287 172 G C 1.119 176.036 174.900 0.028 0.000 1.018 172 G CA 1.023 46.194 45.100 0.119 0.000 0.855 172 G HN 2.335 nan 8.290 nan 0.000 0.507 173 G N -2.953 105.807 108.800 -0.066 0.000 2.205 173 G HA2 -0.303 3.650 3.960 -0.013 0.000 0.261 173 G HA3 -0.303 3.650 3.960 -0.013 0.000 0.261 173 G C 0.421 175.083 174.900 -0.398 0.000 0.980 173 G CA 0.697 45.632 45.100 -0.274 0.000 0.632 173 G HN 1.173 nan 8.290 nan 0.000 0.533 174 W N 0.759 122.007 121.300 -0.086 0.000 2.516 174 W HA 0.670 5.322 4.660 -0.013 0.000 0.343 174 W C 0.648 177.118 176.519 -0.081 0.000 1.094 174 W CA -0.826 56.462 57.345 -0.095 0.000 1.250 174 W CB 0.766 30.186 29.460 -0.068 0.000 1.308 174 W HN 0.245 nan 8.180 nan 0.000 0.588 175 Q N 2.552 122.464 119.800 0.186 0.000 2.304 175 Q HA 0.292 4.624 4.340 -0.013 0.000 0.260 175 Q C -0.729 175.337 176.000 0.109 0.000 0.965 175 Q CA -0.039 55.840 55.803 0.126 0.000 0.898 175 Q CB 0.614 29.421 28.738 0.115 0.000 1.196 175 Q HN 0.288 nan 8.270 nan 0.000 0.402 176 M N 3.358 123.019 119.600 0.103 0.000 2.253 176 M HA 0.365 4.838 4.480 -0.013 0.000 0.314 176 M C -1.211 175.113 176.300 0.039 0.000 1.019 176 M CA -0.597 54.732 55.300 0.048 0.000 0.932 176 M CB 1.659 34.300 32.600 0.068 0.000 1.606 176 M HN 0.630 nan 8.290 nan 0.000 0.430 177 E N 2.024 122.170 120.200 -0.090 0.000 2.216 177 E HA 0.480 4.822 4.350 -0.013 0.000 0.279 177 E C -0.521 176.064 176.600 -0.025 0.000 0.997 177 E CA -0.498 55.808 56.400 -0.156 0.000 0.817 177 E CB 1.621 30.948 29.700 -0.622 0.000 1.096 177 E HN 0.526 nan 8.360 nan 0.000 0.393 178 E N 1.538 121.803 120.200 0.108 0.000 2.308 178 E HA 0.609 4.951 4.350 -0.013 0.000 0.275 178 E C -1.198 175.481 176.600 0.133 0.000 0.890 178 E CA -1.310 55.142 56.400 0.087 0.000 0.754 178 E CB 1.346 31.106 29.700 0.101 0.000 1.207 178 E HN 0.516 nan 8.360 nan 0.000 0.426 179 A N 2.970 125.818 122.820 0.047 0.000 2.584 179 A HA 0.002 4.315 4.320 -0.013 0.000 0.239 179 A C 0.028 177.749 177.584 0.229 0.000 1.043 179 A CA 0.709 52.767 52.037 0.036 0.000 0.756 179 A CB -0.069 18.797 19.000 -0.224 0.000 0.963 179 A HN 0.692 nan 8.150 nan 0.000 0.511 180 D N 1.711 122.325 120.400 0.357 0.000 2.500 180 D HA 0.200 4.832 4.640 -0.013 0.000 0.219 180 D C -0.527 176.132 176.300 0.598 0.000 1.137 180 D CA -0.231 54.008 54.000 0.398 0.000 0.946 180 D CB 0.421 41.392 40.800 0.285 0.000 1.022 180 D HN 0.360 nan 8.370 nan 0.000 0.518 181 D N 4.168 124.880 120.400 0.520 0.000 2.713 181 D HA -0.017 4.615 4.640 -0.013 0.000 0.229 181 D C 1.113 177.601 176.300 0.314 0.000 1.136 181 D CA -0.562 53.685 54.000 0.412 0.000 1.010 181 D CB -0.133 40.888 40.800 0.369 0.000 1.084 181 D HN 0.587 nan 8.370 nan 0.000 0.495 182 W N 2.106 123.477 121.300 0.118 0.000 2.525 182 W HA -0.063 4.589 4.660 -0.013 0.000 0.259 182 W C 0.269 176.864 176.519 0.126 0.000 1.253 182 W CA 0.106 57.527 57.345 0.128 0.000 1.262 182 W CB -0.796 28.733 29.460 0.115 0.000 1.122 182 W HN 0.191 nan 8.180 nan 0.000 0.607 183 L N 0.878 121.784 121.223 -0.529 0.000 2.567 183 L HA 0.145 4.477 4.340 -0.013 0.000 0.225 183 L C 2.802 179.548 176.870 -0.206 0.000 1.119 183 L CA 0.114 54.611 54.840 -0.571 0.000 0.871 183 L CB -0.677 40.908 42.059 -0.790 0.000 1.036 183 L HN -0.109 nan 8.230 nan 0.000 0.459 184 R N 0.780 121.232 120.500 -0.079 0.000 2.159 184 R HA -0.268 4.064 4.340 -0.013 0.000 0.252 184 R C 1.422 177.616 176.300 -0.177 0.000 1.144 184 R CA 2.325 58.369 56.100 -0.093 0.000 0.961 184 R CB -0.310 29.983 30.300 -0.011 0.000 0.877 184 R HN 0.318 nan 8.270 nan 0.000 0.444 185 Y N -0.673 119.644 120.300 0.029 0.000 2.457 185 Y HA 0.338 4.880 4.550 -0.013 0.000 0.263 185 Y C 0.829 176.723 175.900 -0.010 0.000 1.164 185 Y CA 0.519 58.644 58.100 0.042 0.000 1.274 185 Y CB 1.105 39.693 38.460 0.213 0.000 1.097 185 Y HN 0.489 nan 8.280 nan 0.000 0.523 186 G N 1.243 110.099 108.800 0.092 0.000 2.619 186 G HA2 -0.194 3.758 3.960 -0.013 0.000 0.686 186 G HA3 -0.194 3.758 3.960 -0.013 0.000 0.686 186 G C -1.349 173.627 174.900 0.126 0.000 1.256 186 G CA -0.876 44.239 45.100 0.026 0.000 0.826 186 G HN 0.189 nan 8.290 nan 0.000 0.619 187 N N 1.246 119.962 118.700 0.026 0.000 2.573 187 N HA 0.537 5.270 4.740 -0.013 0.000 0.262 187 N C -0.912 174.588 175.510 -0.016 0.000 1.029 187 N CA -2.014 51.068 53.050 0.054 0.000 0.882 187 N CB 2.040 40.496 38.487 -0.051 0.000 1.204 187 N HN 0.244 nan 8.380 nan 0.000 0.519 188 P HA 0.030 nan 4.420 nan 0.000 0.234 188 P C 0.539 177.442 177.300 -0.662 0.000 1.167 188 P CA 0.653 63.411 63.100 -0.569 0.000 0.763 188 P CB 0.081 31.179 31.700 -1.003 0.000 0.835 189 W N 1.661 122.973 121.300 0.019 0.000 2.588 189 W HA 0.075 4.728 4.660 -0.012 0.000 0.277 189 W C 1.346 177.909 176.519 0.072 0.000 1.221 189 W CA -0.319 57.034 57.345 0.013 0.000 1.355 189 W CB -0.335 29.134 29.460 0.014 0.000 1.083 189 W HN -0.052 nan 8.180 nan 0.000 0.581 190 E N 1.960 122.332 120.200 0.287 0.000 2.374 190 E HA 0.242 4.585 4.350 -0.013 0.000 0.260 190 E C -0.526 176.249 176.600 0.291 0.000 1.101 190 E CA -0.460 56.121 56.400 0.302 0.000 0.907 190 E CB 1.091 30.969 29.700 0.296 0.000 1.014 190 E HN -0.305 nan 8.360 nan 0.000 0.427 191 K N 1.285 121.881 120.400 0.326 0.000 2.656 191 K HA 0.389 4.701 4.320 -0.013 0.000 0.241 191 K C -1.248 175.414 176.600 0.104 0.000 0.967 191 K CA -0.373 56.045 56.287 0.218 0.000 0.946 191 K CB 1.402 34.037 32.500 0.225 0.000 1.164 191 K HN 0.668 nan 8.250 nan 0.000 0.459 192 A N 4.003 126.815 122.820 -0.014 0.000 2.511 192 A HA 0.312 4.625 4.320 -0.013 0.000 0.242 192 A C -0.225 177.194 177.584 -0.274 0.000 1.069 192 A CA 0.012 51.790 52.037 -0.431 0.000 0.763 192 A CB 0.202 18.922 19.000 -0.466 0.000 1.001 192 A HN 0.662 nan 8.150 nan 0.000 0.498 193 R N 3.300 123.621 120.500 -0.298 0.000 2.835 193 R HA 0.199 4.532 4.340 -0.013 0.000 0.290 193 R C -2.344 173.833 176.300 -0.205 0.000 1.410 193 R CA -1.668 54.334 56.100 -0.164 0.000 1.590 193 R CB 0.694 31.086 30.300 0.153 0.000 1.288 193 R HN 0.567 nan 8.270 nan 0.000 0.637 194 P HA -0.203 nan 4.420 nan 0.000 0.219 194 P C 0.937 178.134 177.300 -0.171 0.000 1.146 194 P CA 1.197 64.203 63.100 -0.158 0.000 0.808 194 P CB 0.330 31.948 31.700 -0.137 0.000 0.779 195 E N -0.452 119.536 120.200 -0.354 0.000 2.409 195 E HA -0.135 4.207 4.350 -0.013 0.000 0.198 195 E C 0.462 176.804 176.600 -0.430 0.000 1.024 195 E CA 0.825 56.951 56.400 -0.457 0.000 0.861 195 E CB -0.735 28.550 29.700 -0.691 0.000 0.788 195 E HN 0.273 nan 8.360 nan 0.000 0.521 196 F N 1.640 121.599 119.950 0.015 0.000 2.708 196 F HA 0.275 4.795 4.527 -0.013 0.000 0.300 196 F C 0.452 176.336 175.800 0.140 0.000 1.118 196 F CA -0.698 57.340 58.000 0.064 0.000 1.307 196 F CB 0.103 39.136 39.000 0.054 0.000 0.986 196 F HN -0.291 nan 8.300 nan 0.000 0.522 197 T N 2.852 117.540 114.554 0.223 0.000 2.940 197 T HA 0.278 4.620 4.350 -0.013 0.000 0.309 197 T C -0.181 174.626 174.700 0.178 0.000 1.056 197 T CA 0.419 62.651 62.100 0.220 0.000 1.137 197 T CB 0.714 69.661 68.868 0.131 0.000 0.976 197 T HN -0.159 nan 8.240 nan 0.000 0.547 198 L N 4.735 126.036 121.223 0.131 0.000 2.371 198 L HA 0.611 4.944 4.340 -0.013 0.000 0.262 198 L C -2.288 174.551 176.870 -0.052 0.000 1.006 198 L CA -2.553 52.293 54.840 0.009 0.000 0.818 198 L CB 2.043 44.042 42.059 -0.101 0.000 1.354 198 L HN 0.391 nan 8.230 nan 0.000 0.415 199 P HA 0.453 nan 4.420 nan 0.000 0.290 199 P C -1.319 175.830 177.300 -0.251 0.000 1.275 199 P CA -0.503 62.510 63.100 -0.144 0.000 0.841 199 P CB 2.105 33.717 31.700 -0.147 0.000 1.042 200 V N 3.600 123.342 119.914 -0.286 0.000 2.638 200 V HA 0.310 4.423 4.120 -0.013 0.000 0.306 200 V C 0.081 175.896 176.094 -0.466 0.000 1.052 200 V CA -0.611 61.498 62.300 -0.320 0.000 0.885 200 V CB 1.528 33.242 31.823 -0.182 0.000 0.999 200 V HN 0.613 nan 8.190 nan 0.000 0.424 201 H N 3.955 122.838 119.070 -0.311 0.000 2.472 201 H HA 0.632 5.180 4.556 -0.013 0.000 0.335 201 H C -1.314 173.652 175.328 -0.602 0.000 1.136 201 H CA -0.137 55.625 56.048 -0.477 0.000 1.264 201 H CB 1.832 31.058 29.762 -0.895 0.000 1.486 201 H HN 0.446 nan 8.280 nan 0.000 0.517 202 F N -0.115 119.841 119.950 0.011 0.000 2.613 202 F HA 0.208 4.728 4.527 -0.013 0.000 0.310 202 F C -0.284 175.598 175.800 0.136 0.000 1.085 202 F CA -0.631 57.386 58.000 0.028 0.000 0.945 202 F CB 0.860 39.810 39.000 -0.084 0.000 1.298 202 F HN 0.568 nan 8.300 nan 0.000 0.455 203 Y N 0.214 120.771 120.300 0.429 0.000 2.896 203 Y HA 0.021 4.563 4.550 -0.013 0.000 0.466 203 Y C 1.377 177.493 175.900 0.359 0.000 1.196 203 Y CA 0.729 59.006 58.100 0.294 0.000 2.514 203 Y CB -1.855 36.703 38.460 0.164 0.000 1.231 203 Y HN 1.343 nan 8.280 nan 0.000 0.632 204 G N 0.580 109.621 108.800 0.402 0.000 2.584 204 G HA2 0.158 4.110 3.960 -0.013 0.000 0.229 204 G HA3 0.158 4.110 3.960 -0.013 0.000 0.229 204 G C -0.613 174.472 174.900 0.308 0.000 1.320 204 G CA 0.894 46.158 45.100 0.273 0.000 0.891 204 G HN 1.424 nan 8.290 nan 0.000 0.573 205 R N -2.460 118.225 120.500 0.307 0.000 2.733 205 R HA 0.679 5.012 4.340 -0.013 0.000 0.272 205 R C -1.614 174.803 176.300 0.194 0.000 1.029 205 R CA -0.854 55.371 56.100 0.208 0.000 0.888 205 R CB 1.179 31.553 30.300 0.124 0.000 1.251 205 R HN 0.989 nan 8.270 nan 0.000 0.464 206 V N 1.105 121.055 119.914 0.060 0.000 2.398 206 V HA 0.357 4.470 4.120 -0.013 0.000 0.286 206 V C -0.265 175.758 176.094 -0.118 0.000 1.026 206 V CA -0.544 61.719 62.300 -0.062 0.000 0.868 206 V CB 1.418 33.125 31.823 -0.193 0.000 0.982 206 V HN 0.671 nan 8.190 nan 0.000 0.443 207 E N 3.364 123.483 120.200 -0.135 0.000 2.133 207 E HA 0.381 4.723 4.350 -0.013 0.000 0.274 207 E C -0.958 175.532 176.600 -0.183 0.000 0.930 207 E CA -0.666 55.680 56.400 -0.090 0.000 0.770 207 E CB 0.971 30.662 29.700 -0.016 0.000 1.104 207 E HN 0.654 nan 8.360 nan 0.000 0.403 208 H N 2.590 121.674 119.070 0.023 0.000 2.741 208 H HA 0.164 4.712 4.556 -0.013 0.000 0.282 208 H C -0.236 175.101 175.328 0.015 0.000 1.122 208 H CA -0.160 55.898 56.048 0.015 0.000 1.293 208 H CB 0.659 30.426 29.762 0.008 0.000 1.415 208 H HN 0.416 nan 8.280 nan 0.000 0.472 209 T N 0.144 114.754 114.554 0.092 0.000 2.824 209 T HA 0.291 4.634 4.350 -0.013 0.000 0.282 209 T C 1.115 175.847 174.700 0.055 0.000 0.993 209 T CA -0.221 61.918 62.100 0.064 0.000 0.967 209 T CB 1.868 70.759 68.868 0.039 0.000 0.960 209 T HN 0.548 nan 8.240 nan 0.000 0.441 210 S N 2.898 118.626 115.700 0.047 0.000 2.746 210 S HA -0.378 4.084 4.470 -0.013 0.000 0.526 210 S C 0.937 175.560 174.600 0.038 0.000 0.959 210 S CA 1.906 60.128 58.200 0.036 0.000 3.281 210 S CB -1.423 61.794 63.200 0.028 0.000 2.286 210 S HN 0.860 nan 8.310 nan 0.000 0.525 211 Q N 2.968 122.789 119.800 0.035 0.000 2.819 211 Q HA 0.561 4.893 4.340 -0.013 0.000 0.392 211 Q C 0.230 176.252 176.000 0.038 0.000 1.088 211 Q CA 0.809 56.633 55.803 0.035 0.000 1.062 211 Q CB 0.412 29.166 28.738 0.028 0.000 1.369 211 Q HN 0.993 nan 8.270 nan 0.000 0.434 212 G N -0.436 108.396 108.800 0.053 0.000 2.406 212 G HA2 0.267 4.219 3.960 -0.013 0.000 0.680 212 G HA3 0.267 4.219 3.960 -0.013 0.000 0.680 212 G C -1.057 173.871 174.900 0.048 0.000 1.338 212 G CA -0.655 44.478 45.100 0.055 0.000 0.941 212 G HN 0.450 nan 8.290 nan 0.000 0.633 213 A N 0.505 123.342 122.820 0.027 0.000 2.304 213 A HA 0.827 5.139 4.320 -0.013 0.000 0.271 213 A C 0.405 177.942 177.584 -0.078 0.000 1.091 213 A CA 0.065 52.043 52.037 -0.099 0.000 0.812 213 A CB 0.824 19.723 19.000 -0.169 0.000 1.056 213 A HN 0.781 nan 8.150 nan 0.000 0.489 214 K N 0.434 120.774 120.400 -0.100 0.000 2.507 214 K HA 0.181 4.494 4.320 -0.013 0.000 0.251 214 K C -1.850 174.782 176.600 0.054 0.000 0.943 214 K CA -0.387 55.890 56.287 -0.017 0.000 0.794 214 K CB 1.851 34.344 32.500 -0.011 0.000 1.188 214 K HN 0.730 nan 8.250 nan 0.000 0.428 215 W N 5.192 126.405 121.300 -0.144 0.000 2.387 215 W HA 0.345 4.997 4.660 -0.013 0.000 0.310 215 W C -1.036 175.407 176.519 -0.126 0.000 1.181 215 W CA -0.590 56.672 57.345 -0.139 0.000 1.333 215 W CB 0.364 29.728 29.460 -0.159 0.000 1.286 215 W HN 0.178 nan 8.180 nan 0.000 0.455 216 V N 6.620 126.621 119.914 0.145 0.000 3.046 216 V HA 0.336 4.448 4.120 -0.013 0.000 0.316 216 V C -0.416 175.653 176.094 -0.042 0.000 1.104 216 V CA -0.566 61.724 62.300 -0.018 0.000 1.006 216 V CB 2.089 33.926 31.823 0.023 0.000 1.058 216 V HN 0.454 nan 8.190 nan 0.000 0.440 217 D N 1.362 121.721 120.400 -0.068 0.000 2.708 217 D HA -0.128 4.504 4.640 -0.013 0.000 0.236 217 D C 0.420 176.667 176.300 -0.088 0.000 1.146 217 D CA 1.387 55.349 54.000 -0.064 0.000 0.662 217 D CB -1.236 39.558 40.800 -0.011 0.000 1.059 217 D HN 0.854 nan 8.370 nan 0.000 0.428 218 T N -3.064 111.388 114.554 -0.170 0.000 2.899 218 T HA 0.403 4.745 4.350 -0.013 0.000 0.284 218 T C 0.245 174.910 174.700 -0.058 0.000 1.004 218 T CA -0.856 61.155 62.100 -0.149 0.000 1.043 218 T CB 2.585 71.197 68.868 -0.426 0.000 1.013 218 T HN 0.211 nan 8.240 nan 0.000 0.518 219 Q N 1.213 121.058 119.800 0.074 0.000 2.241 219 Q HA 0.525 4.857 4.340 -0.013 0.000 0.254 219 Q C -1.462 174.601 176.000 0.105 0.000 0.917 219 Q CA -0.837 55.013 55.803 0.079 0.000 0.919 219 Q CB 1.290 30.158 28.738 0.217 0.000 1.237 219 Q HN 0.622 nan 8.270 nan 0.000 0.434 220 V N 4.370 124.303 119.914 0.032 0.000 2.483 220 V HA 0.463 4.575 4.120 -0.013 0.000 0.295 220 V C -0.375 175.767 176.094 0.081 0.000 1.035 220 V CA -0.577 61.700 62.300 -0.039 0.000 0.896 220 V CB 1.745 33.505 31.823 -0.105 0.000 0.986 220 V HN 0.655 nan 8.190 nan 0.000 0.447 221 V N 5.697 125.684 119.914 0.123 0.000 2.735 221 V HA 0.521 4.633 4.120 -0.013 0.000 0.310 221 V C -0.315 175.878 176.094 0.165 0.000 1.061 221 V CA -0.682 61.734 62.300 0.193 0.000 0.913 221 V CB 2.047 34.067 31.823 0.329 0.000 1.005 221 V HN 0.623 nan 8.190 nan 0.000 0.428 222 L N 3.111 124.439 121.223 0.176 0.000 2.325 222 L HA 0.816 5.149 4.340 -0.013 0.000 0.279 222 L C 0.298 177.357 176.870 0.315 0.000 1.054 222 L CA -0.545 54.397 54.840 0.171 0.000 0.804 222 L CB 1.593 43.732 42.059 0.132 0.000 1.200 222 L HN 0.753 nan 8.230 nan 0.000 0.436 223 A N 4.594 127.555 122.820 0.236 0.000 2.267 223 A HA 0.614 4.926 4.320 -0.013 0.000 0.315 223 A C -0.523 177.327 177.584 0.444 0.000 1.297 223 A CA -0.462 51.755 52.037 0.300 0.000 0.865 223 A CB 0.970 19.739 19.000 -0.386 0.000 1.165 223 A HN 0.795 nan 8.150 nan 0.000 0.513 224 M N 6.110 126.030 119.600 0.533 0.000 2.129 224 M HA 0.487 4.960 4.480 -0.013 0.000 0.348 224 M C -2.596 173.968 176.300 0.440 0.000 1.116 224 M CA -2.064 53.482 55.300 0.410 0.000 1.022 224 M CB 1.976 34.731 32.600 0.258 0.000 1.599 224 M HN 0.353 nan 8.290 nan 0.000 0.449 225 P HA 0.258 nan 4.420 nan 0.000 0.281 225 P C -1.917 175.319 177.300 -0.107 0.000 1.249 225 P CA 0.004 63.023 63.100 -0.134 0.000 0.810 225 P CB 0.534 31.986 31.700 -0.413 0.000 1.008 226 Y N 0.108 120.339 120.300 -0.115 0.000 2.331 226 Y HA 0.276 4.818 4.550 -0.013 0.000 0.326 226 Y C -0.164 175.726 175.900 -0.017 0.000 1.020 226 Y CA -0.438 57.659 58.100 -0.005 0.000 1.136 226 Y CB 1.482 39.969 38.460 0.045 0.000 1.157 226 Y HN 0.199 nan 8.280 nan 0.000 0.444 227 D N 2.229 122.749 120.400 0.200 0.000 2.198 227 D HA 0.400 5.032 4.640 -0.013 0.000 0.245 227 D C -0.519 176.027 176.300 0.409 0.000 1.079 227 D CA -0.189 53.969 54.000 0.264 0.000 0.854 227 D CB 1.799 42.784 40.800 0.309 0.000 1.148 227 D HN 0.342 nan 8.370 nan 0.000 0.456 228 T N 3.133 117.824 114.554 0.229 0.000 2.807 228 T HA 0.462 4.804 4.350 -0.013 0.000 0.279 228 T C -2.520 172.032 174.700 -0.245 0.000 0.993 228 T CA -1.504 60.631 62.100 0.059 0.000 0.970 228 T CB 2.021 70.913 68.868 0.040 0.000 0.950 228 T HN 0.171 nan 8.240 nan 0.000 0.441 229 P HA 0.300 nan 4.420 nan 0.000 0.276 229 P C -0.976 175.992 177.300 -0.554 0.000 1.230 229 P CA -0.379 62.042 63.100 -1.131 0.000 0.776 229 P CB 0.795 31.592 31.700 -1.506 0.000 0.888 230 V N 5.722 125.375 119.914 -0.435 0.000 2.305 230 V HA 0.258 4.370 4.120 -0.013 0.000 0.275 230 V C -2.049 173.913 176.094 -0.220 0.000 1.020 230 V CA -1.931 60.210 62.300 -0.264 0.000 0.811 230 V CB 1.271 32.988 31.823 -0.176 0.000 1.031 230 V HN 0.539 nan 8.190 nan 0.000 0.439 231 P HA 0.276 nan 4.420 nan 0.000 0.281 231 P C 0.402 177.650 177.300 -0.087 0.000 1.252 231 P CA 0.321 63.332 63.100 -0.149 0.000 0.778 231 P CB 1.624 33.232 31.700 -0.153 0.000 0.895 232 G N 2.292 111.058 108.800 -0.057 0.000 2.616 232 G HA2 0.143 4.096 3.960 -0.013 0.000 0.268 232 G HA3 0.143 4.096 3.960 -0.013 0.000 0.268 232 G C -1.208 173.705 174.900 0.022 0.000 1.213 232 G CA -0.428 44.668 45.100 -0.007 0.000 0.926 232 G HN 0.484 nan 8.290 nan 0.000 0.523 233 Y N 0.235 120.498 120.300 -0.061 0.000 2.539 233 Y HA 0.335 4.878 4.550 -0.013 0.000 0.352 233 Y C 1.261 177.126 175.900 -0.060 0.000 1.004 233 Y CA -0.461 57.599 58.100 -0.067 0.000 1.278 233 Y CB 0.193 38.612 38.460 -0.068 0.000 1.136 233 Y HN 0.703 nan 8.280 nan 0.000 0.528 234 R N 2.860 123.009 120.500 -0.584 0.000 3.610 234 R HA -0.317 4.015 4.340 -0.013 0.000 0.274 234 R C 0.033 176.178 176.300 -0.258 0.000 1.123 234 R CA 1.519 57.311 56.100 -0.513 0.000 0.747 234 R CB -1.826 27.975 30.300 -0.833 0.000 1.149 234 R HN 0.948 nan 8.270 nan 0.000 0.471 235 N N -1.474 117.133 118.700 -0.155 0.000 2.177 235 N HA 0.074 4.806 4.740 -0.013 0.000 0.218 235 N C -0.274 175.188 175.510 -0.080 0.000 1.182 235 N CA -0.357 52.638 53.050 -0.092 0.000 0.882 235 N CB 0.543 39.002 38.487 -0.047 0.000 1.052 235 N HN 0.079 nan 8.380 nan 0.000 0.519 236 N N -0.124 118.525 118.700 -0.086 0.000 2.782 236 N HA -0.127 4.605 4.740 -0.013 0.000 0.251 236 N C -1.178 174.291 175.510 -0.068 0.000 1.101 236 N CA 0.529 53.538 53.050 -0.069 0.000 0.764 236 N CB -1.309 37.140 38.487 -0.064 0.000 1.122 236 N HN 0.198 nan 8.380 nan 0.000 0.561 237 V N 1.038 120.914 119.914 -0.063 0.000 2.398 237 V HA 0.504 4.617 4.120 -0.013 0.000 0.286 237 V C 0.393 176.454 176.094 -0.056 0.000 1.026 237 V CA -0.605 61.661 62.300 -0.055 0.000 0.868 237 V CB 2.262 34.074 31.823 -0.018 0.000 0.982 237 V HN -0.041 nan 8.190 nan 0.000 0.443 238 V N 5.351 125.235 119.914 -0.050 0.000 2.419 238 V HA 0.450 4.563 4.120 -0.013 0.000 0.287 238 V C -0.090 175.985 176.094 -0.031 0.000 1.017 238 V CA -0.845 61.397 62.300 -0.096 0.000 0.844 238 V CB 1.413 33.161 31.823 -0.124 0.000 1.011 238 V HN 0.822 nan 8.190 nan 0.000 0.429 239 N N 1.991 120.652 118.700 -0.066 0.000 2.405 239 N HA 0.565 5.297 4.740 -0.013 0.000 0.269 239 N C 0.006 175.516 175.510 0.000 0.000 1.249 239 N CA -0.271 52.772 53.050 -0.012 0.000 0.974 239 N CB 1.102 39.546 38.487 -0.073 0.000 1.204 239 N HN 0.599 nan 8.380 nan 0.000 0.565 240 T N 0.697 115.281 114.554 0.050 0.000 2.829 240 T HA 0.413 4.756 4.350 -0.013 0.000 0.280 240 T C -0.204 174.495 174.700 -0.002 0.000 0.999 240 T CA -0.515 61.684 62.100 0.165 0.000 0.983 240 T CB 0.974 70.063 68.868 0.367 0.000 0.968 240 T HN 0.327 nan 8.240 nan 0.000 0.446 241 M N 3.763 123.322 119.600 -0.068 0.000 2.066 241 M HA 0.485 4.958 4.480 -0.013 0.000 0.340 241 M C -0.426 175.731 176.300 -0.238 0.000 1.053 241 M CA -0.743 54.423 55.300 -0.222 0.000 0.983 241 M CB 0.605 33.027 32.600 -0.296 0.000 1.520 241 M HN 0.461 nan 8.290 nan 0.000 0.428 242 R N 4.659 124.896 120.500 -0.438 0.000 2.198 242 R HA 0.499 4.831 4.340 -0.013 0.000 0.339 242 R C -1.844 174.158 176.300 -0.497 0.000 1.020 242 R CA -0.543 55.237 56.100 -0.533 0.000 0.864 242 R CB 0.713 30.475 30.300 -0.896 0.000 1.105 242 R HN 0.643 nan 8.270 nan 0.000 0.463 243 L N 5.772 126.815 121.223 -0.299 0.000 2.296 243 L HA 0.441 4.774 4.340 -0.013 0.000 0.286 243 L C -0.966 175.862 176.870 -0.070 0.000 1.023 243 L CA -0.534 54.233 54.840 -0.121 0.000 0.812 243 L CB 1.038 43.112 42.059 0.024 0.000 1.223 243 L HN 0.610 nan 8.230 nan 0.000 0.421 244 W N 2.362 123.790 121.300 0.212 0.000 2.316 244 W HA 0.594 5.246 4.660 -0.013 0.000 0.321 244 W C 0.587 177.342 176.519 0.393 0.000 1.203 244 W CA -0.248 57.249 57.345 0.253 0.000 1.214 244 W CB 1.283 30.753 29.460 0.016 0.000 1.169 244 W HN 0.412 nan 8.180 nan 0.000 0.561 245 S N 1.398 117.537 115.700 0.733 0.000 2.500 245 S HA 0.759 5.221 4.470 -0.013 0.000 0.301 245 S C -0.511 174.450 174.600 0.602 0.000 1.092 245 S CA -0.729 57.807 58.200 0.560 0.000 1.030 245 S CB 0.704 64.198 63.200 0.490 0.000 1.031 245 S HN 0.517 nan 8.310 nan 0.000 0.483 246 A N 4.513 127.520 122.820 0.311 0.000 2.366 246 A HA 0.658 4.970 4.320 -0.013 0.000 0.272 246 A C -0.090 177.589 177.584 0.157 0.000 1.135 246 A CA -0.231 51.885 52.037 0.131 0.000 0.804 246 A CB 0.384 19.207 19.000 -0.295 0.000 1.064 246 A HN 0.640 nan 8.150 nan 0.000 0.499 247 K N 0.935 121.445 120.400 0.182 0.000 2.464 247 K HA 0.628 4.940 4.320 -0.013 0.000 0.253 247 K C -0.667 176.001 176.600 0.113 0.000 0.933 247 K CA -0.472 55.899 56.287 0.140 0.000 0.801 247 K CB 2.345 34.939 32.500 0.157 0.000 1.271 247 K HN 0.837 nan 8.250 nan 0.000 0.430 248 A N 3.866 126.736 122.820 0.084 0.000 2.327 248 A HA 0.529 4.841 4.320 -0.013 0.000 0.283 248 A C -2.226 175.405 177.584 0.078 0.000 1.127 248 A CA -1.218 50.864 52.037 0.076 0.000 0.810 248 A CB -0.058 18.976 19.000 0.057 0.000 1.066 248 A HN 0.338 nan 8.150 nan 0.000 0.492 249 P HA 0.106 nan 4.420 nan 0.000 0.274 249 P C 0.026 177.370 177.300 0.072 0.000 1.231 249 P CA -0.396 62.753 63.100 0.081 0.000 0.790 249 P CB 0.659 32.420 31.700 0.101 0.000 0.951 250 N N 0.993 119.726 118.700 0.055 0.000 2.412 250 N HA -0.083 4.649 4.740 -0.013 0.000 0.184 250 N C 0.522 176.054 175.510 0.037 0.000 1.101 250 N CA 0.350 53.427 53.050 0.044 0.000 0.881 250 N CB -0.353 38.155 38.487 0.034 0.000 0.969 250 N HN 0.407 nan 8.380 nan 0.000 0.459 251 D N 0.905 121.327 120.400 0.036 0.000 2.125 251 D HA -0.111 4.522 4.640 -0.013 0.000 0.266 251 D C 1.452 177.761 176.300 0.014 0.000 1.124 251 D CA 0.046 54.036 54.000 -0.017 0.000 0.913 251 D CB -0.967 39.794 40.800 -0.065 0.000 0.964 251 D HN -0.045 nan 8.370 nan 0.000 0.370 252 F N 1.034 121.002 119.950 0.031 0.000 2.141 252 F HA -0.164 4.355 4.527 -0.013 0.000 0.300 252 F C 1.599 177.423 175.800 0.040 0.000 1.079 252 F CA 1.308 59.333 58.000 0.041 0.000 1.264 252 F CB -1.053 37.971 39.000 0.041 0.000 1.011 252 F HN 0.096 nan 8.300 nan 0.000 0.487 253 N N 0.553 119.384 118.700 0.219 0.000 3.115 253 N HA 0.098 4.830 4.740 -0.013 0.000 0.305 253 N C 0.803 176.362 175.510 0.083 0.000 1.305 253 N CA 0.180 53.307 53.050 0.129 0.000 1.154 253 N CB -0.050 38.492 38.487 0.092 0.000 1.454 253 N HN 0.117 nan 8.380 nan 0.000 0.551 254 L N -0.659 120.623 121.223 0.100 0.000 1.433 254 L HA -0.116 4.216 4.340 -0.013 0.000 0.146 254 L C 1.356 178.283 176.870 0.094 0.000 1.334 254 L CA 0.865 55.748 54.840 0.073 0.000 1.267 254 L CB -0.979 41.112 42.059 0.053 0.000 2.547 254 L HN 0.278 nan 8.230 nan 0.000 0.476 255 K N 0.359 120.790 120.400 0.051 0.000 2.296 255 K HA -0.041 4.271 4.320 -0.013 0.000 0.200 255 K C 0.524 177.158 176.600 0.056 0.000 1.048 255 K CA 1.125 57.391 56.287 -0.034 0.000 0.966 255 K CB -0.056 32.302 32.500 -0.237 0.000 0.754 255 K HN 0.163 nan 8.250 nan 0.000 0.466 256 D N 2.110 122.657 120.400 0.244 0.000 2.441 256 D HA -0.022 4.610 4.640 -0.013 0.000 0.243 256 D C -0.221 176.297 176.300 0.363 0.000 1.257 256 D CA -0.165 54.085 54.000 0.416 0.000 1.027 256 D CB -0.129 40.957 40.800 0.478 0.000 1.084 256 D HN 0.199 nan 8.370 nan 0.000 0.514 257 F N 1.401 121.391 119.950 0.068 0.000 2.408 257 F HA 0.308 4.827 4.527 -0.013 0.000 0.303 257 F C 0.543 176.372 175.800 0.048 0.000 1.268 257 F CA -1.888 56.141 58.000 0.049 0.000 1.218 257 F CB -0.276 38.740 39.000 0.027 0.000 1.283 257 F HN 0.353 nan 8.300 nan 0.000 0.545 258 N N -0.560 118.022 118.700 -0.197 0.000 3.506 258 N HA 0.069 4.802 4.740 -0.013 0.000 0.257 258 N C -1.733 173.714 175.510 -0.105 0.000 1.059 258 N CA 0.479 53.352 53.050 -0.295 0.000 0.672 258 N CB -0.929 37.237 38.487 -0.534 0.000 1.178 258 N HN 0.837 nan 8.380 nan 0.000 0.593 259 V N -1.536 118.366 119.914 -0.021 0.000 3.576 259 V HA -0.027 4.085 4.120 -0.013 0.000 0.511 259 V C 1.312 177.413 176.094 0.012 0.000 0.682 259 V CA 1.581 63.883 62.300 0.004 0.000 2.064 259 V CB -0.892 30.923 31.823 -0.013 0.000 2.487 259 V HN 0.997 nan 8.190 nan 0.000 0.511 260 G N 1.101 109.917 108.800 0.027 0.000 3.724 260 G HA2 0.676 4.628 3.960 -0.013 0.000 0.212 260 G HA3 0.676 4.628 3.960 -0.013 0.000 0.212 260 G C 0.905 175.825 174.900 0.033 0.000 0.928 260 G CA 1.237 46.352 45.100 0.024 0.000 0.879 260 G HN 3.004 nan 8.290 nan 0.000 0.424 261 G N -1.076 107.757 108.800 0.056 0.000 2.841 261 G HA2 0.259 4.212 3.960 -0.013 0.000 0.684 261 G HA3 0.259 4.212 3.960 -0.013 0.000 0.684 261 G C -0.103 174.855 174.900 0.096 0.000 1.273 261 G CA 0.182 45.327 45.100 0.074 0.000 0.811 261 G HN 1.417 nan 8.290 nan 0.000 0.631 262 Y N 2.847 123.163 120.300 0.026 0.000 2.263 262 Y HA 0.088 4.630 4.550 -0.013 0.000 0.292 262 Y C 2.464 178.379 175.900 0.024 0.000 1.130 262 Y CA 1.966 60.083 58.100 0.028 0.000 1.179 262 Y CB 0.018 38.493 38.460 0.024 0.000 0.998 262 Y HN 0.490 nan 8.280 nan 0.000 0.532 263 I N 0.482 121.006 120.570 -0.077 0.000 2.142 263 I HA -0.279 3.883 4.170 -0.013 0.000 0.240 263 I C 2.353 178.376 176.117 -0.157 0.000 1.078 263 I CA 1.399 62.607 61.300 -0.152 0.000 1.343 263 I CB -1.325 36.688 38.000 0.021 0.000 1.046 263 I HN 0.321 nan 8.210 nan 0.000 0.405 264 Q N 0.685 120.443 119.800 -0.071 0.000 2.152 264 Q HA -0.165 4.167 4.340 -0.013 0.000 0.206 264 Q C 2.290 178.247 176.000 -0.071 0.000 0.985 264 Q CA 1.974 57.746 55.803 -0.051 0.000 0.863 264 Q CB -0.349 28.379 28.738 -0.017 0.000 0.904 264 Q HN 0.563 nan 8.270 nan 0.000 0.422 265 A N -0.546 122.215 122.820 -0.098 0.000 1.969 265 A HA -0.084 4.228 4.320 -0.013 0.000 0.218 265 A C 2.329 179.839 177.584 -0.123 0.000 1.169 265 A CA 1.307 53.294 52.037 -0.084 0.000 0.635 265 A CB -0.315 18.648 19.000 -0.062 0.000 0.810 265 A HN 0.226 nan 8.150 nan 0.000 0.445 266 V N 0.007 119.784 119.914 -0.228 0.000 2.591 266 V HA -0.136 3.976 4.120 -0.013 0.000 0.249 266 V C 2.411 178.442 176.094 -0.105 0.000 1.053 266 V CA 1.398 63.578 62.300 -0.200 0.000 1.068 266 V CB -0.519 31.110 31.823 -0.322 0.000 0.689 266 V HN 0.553 nan 8.190 nan 0.000 0.462 267 L N -0.338 120.829 121.223 -0.093 0.000 2.156 267 L HA -0.098 4.235 4.340 -0.013 0.000 0.208 267 L C 1.892 178.745 176.870 -0.029 0.000 1.095 267 L CA 1.143 55.954 54.840 -0.048 0.000 0.770 267 L CB -0.579 41.456 42.059 -0.040 0.000 0.914 267 L HN 0.322 nan 8.230 nan 0.000 0.439 268 D N 0.070 120.451 120.400 -0.032 0.000 2.363 268 D HA -0.060 4.572 4.640 -0.013 0.000 0.226 268 D C 2.094 178.391 176.300 -0.006 0.000 1.020 268 D CA 0.419 54.410 54.000 -0.015 0.000 0.892 268 D CB 0.052 40.844 40.800 -0.013 0.000 0.900 268 D HN 0.224 nan 8.370 nan 0.000 0.531 269 R N 0.428 120.924 120.500 -0.007 0.000 2.152 269 R HA 0.009 4.341 4.340 -0.013 0.000 0.232 269 R C 0.405 176.713 176.300 0.013 0.000 1.117 269 R CA 0.515 56.620 56.100 0.008 0.000 0.981 269 R CB -0.070 30.235 30.300 0.008 0.000 0.870 269 R HN 0.062 nan 8.270 nan 0.000 0.451 270 N N 1.058 119.764 118.700 0.010 0.000 3.178 270 N HA 0.022 4.754 4.740 -0.013 0.000 0.300 270 N C 0.021 175.537 175.510 0.011 0.000 1.242 270 N CA 0.445 53.505 53.050 0.017 0.000 1.192 270 N CB 1.114 39.614 38.487 0.022 0.000 1.463 270 N HN 0.111 nan 8.380 nan 0.000 0.539 271 L N -0.470 120.756 121.223 0.005 0.000 3.188 271 L HA 0.217 4.550 4.340 -0.013 0.000 0.327 271 L C 1.602 178.459 176.870 -0.021 0.000 1.009 271 L CA 0.470 55.308 54.840 -0.004 0.000 1.373 271 L CB -0.201 41.856 42.059 -0.004 0.000 2.331 271 L HN 0.239 nan 8.230 nan 0.000 0.594 272 A N -0.858 121.954 122.820 -0.014 0.000 2.095 272 A HA 0.120 4.432 4.320 -0.013 0.000 0.212 272 A C 1.673 179.228 177.584 -0.048 0.000 1.162 272 A CA 0.766 52.785 52.037 -0.031 0.000 0.753 272 A CB -0.098 18.912 19.000 0.017 0.000 0.840 272 A HN 0.399 nan 8.150 nan 0.000 0.468 273 E N 0.068 120.259 120.200 -0.015 0.000 2.474 273 E HA -0.008 4.334 4.350 -0.013 0.000 0.194 273 E C 0.778 177.376 176.600 -0.003 0.000 1.041 273 E CA -0.158 56.239 56.400 -0.005 0.000 0.874 273 E CB 0.009 29.729 29.700 0.033 0.000 0.914 273 E HN 0.383 nan 8.360 nan 0.000 0.498 274 N N 0.935 119.632 118.700 -0.006 0.000 2.459 274 N HA -0.033 4.699 4.740 -0.013 0.000 0.181 274 N C 1.543 177.061 175.510 0.013 0.000 1.046 274 N CA 0.494 53.558 53.050 0.024 0.000 0.904 274 N CB 0.072 38.571 38.487 0.020 0.000 0.964 274 N HN 0.237 nan 8.380 nan 0.000 0.444 275 I N 0.277 120.802 120.570 -0.076 0.000 2.208 275 I HA -0.247 3.915 4.170 -0.013 0.000 0.245 275 I C 1.208 177.302 176.117 -0.037 0.000 1.097 275 I CA 1.217 62.441 61.300 -0.127 0.000 1.363 275 I CB -0.122 37.645 38.000 -0.389 0.000 1.051 275 I HN 0.113 nan 8.210 nan 0.000 0.413 276 S N -0.535 115.142 115.700 -0.038 0.000 2.574 276 S HA 0.200 4.662 4.470 -0.013 0.000 0.242 276 S C 1.389 176.128 174.600 0.232 0.000 0.982 276 S CA -0.576 57.684 58.200 0.099 0.000 0.977 276 S CB 0.255 63.499 63.200 0.073 0.000 0.814 276 S HN 0.241 nan 8.310 nan 0.000 0.464 277 R N 1.227 121.864 120.500 0.228 0.000 2.062 277 R HA 0.248 4.580 4.340 -0.013 0.000 0.229 277 R C 0.410 176.959 176.300 0.416 0.000 1.128 277 R CA 1.110 57.384 56.100 0.290 0.000 0.960 277 R CB -0.188 30.257 30.300 0.241 0.000 0.855 277 R HN 0.375 nan 8.270 nan 0.000 0.432 278 V N 0.590 120.702 119.914 0.330 0.000 2.841 278 V HA 0.380 4.492 4.120 -0.013 0.000 0.310 278 V C -1.369 174.687 176.094 -0.063 0.000 1.090 278 V CA -1.335 61.084 62.300 0.198 0.000 0.930 278 V CB 1.787 33.653 31.823 0.071 0.000 1.014 278 V HN 0.212 nan 8.190 nan 0.000 0.425 279 L N 6.216 127.181 121.223 -0.430 0.000 2.397 279 L HA 0.485 4.818 4.340 -0.013 0.000 0.271 279 L C -0.979 175.714 176.870 -0.296 0.000 1.148 279 L CA 0.384 54.755 54.840 -0.781 0.000 0.825 279 L CB 0.735 42.233 42.059 -0.935 0.000 1.117 279 L HN 0.677 nan 8.230 nan 0.000 0.456 280 Y N 5.830 126.045 120.300 -0.141 0.000 2.436 280 Y HA 0.272 4.814 4.550 -0.013 0.000 0.343 280 Y C -1.442 174.454 175.900 -0.007 0.000 1.008 280 Y CA -1.454 56.635 58.100 -0.017 0.000 1.241 280 Y CB 0.550 39.026 38.460 0.026 0.000 1.153 280 Y HN 0.560 nan 8.280 nan 0.000 0.521 281 P HA -0.007 nan 4.420 nan 0.000 0.258 281 P C -0.912 176.517 177.300 0.214 0.000 1.559 281 P CA 0.227 63.433 63.100 0.177 0.000 0.855 281 P CB -0.014 31.878 31.700 0.320 0.000 1.594 282 N N 1.229 120.065 118.700 0.227 0.000 2.438 282 N HA 0.147 4.879 4.740 -0.013 0.000 0.282 282 N C -0.502 175.160 175.510 0.254 0.000 1.037 282 N CA 0.096 53.300 53.050 0.257 0.000 0.942 282 N CB 1.378 40.055 38.487 0.317 0.000 1.136 282 N HN 0.122 nan 8.380 nan 0.000 0.481 283 D N 1.897 122.481 120.400 0.306 0.000 2.344 283 D HA 0.128 4.760 4.640 -0.013 0.000 0.239 283 D C -0.337 176.246 176.300 0.471 0.000 1.064 283 D CA -0.206 54.002 54.000 0.347 0.000 0.829 283 D CB 0.500 41.519 40.800 0.366 0.000 1.129 283 D HN 0.335 nan 8.370 nan 0.000 0.506 284 N N 2.732 121.634 118.700 0.337 0.000 2.725 284 N HA -0.259 4.473 4.740 -0.013 0.000 0.251 284 N C -1.194 174.556 175.510 0.400 0.000 1.031 284 N CA 0.798 54.020 53.050 0.287 0.000 0.720 284 N CB -1.040 37.547 38.487 0.167 0.000 0.930 284 N HN 0.422 nan 8.380 nan 0.000 0.543 285 F N 0.516 120.577 119.950 0.185 0.000 2.622 285 F HA 0.436 4.955 4.527 -0.013 0.000 0.318 285 F C -1.465 174.422 175.800 0.145 0.000 1.135 285 F CA -1.161 56.919 58.000 0.133 0.000 1.015 285 F CB 0.896 39.936 39.000 0.067 0.000 1.275 285 F HN -0.058 nan 8.300 nan 0.000 0.457 286 F N 5.858 125.353 119.950 -0.758 0.000 2.404 286 F HA 0.529 5.048 4.527 -0.013 0.000 0.354 286 F C -0.608 174.834 175.800 -0.597 0.000 1.122 286 F CA -0.289 57.384 58.000 -0.545 0.000 1.080 286 F CB 0.972 39.684 39.000 -0.479 0.000 1.131 286 F HN 0.508 nan 8.300 nan 0.000 0.471 287 E N 3.773 123.397 120.200 -0.961 0.000 2.114 287 E HA 0.299 4.641 4.350 -0.013 0.000 0.266 287 E C -0.091 175.764 176.600 -1.241 0.000 0.896 287 E CA -0.656 55.248 56.400 -0.826 0.000 0.750 287 E CB 1.375 30.925 29.700 -0.249 0.000 1.121 287 E HN 0.946 nan 8.360 nan 0.000 0.413 288 G N 4.650 112.684 108.800 -1.278 0.000 3.316 288 G HA2 0.022 3.974 3.960 -0.013 0.000 0.255 288 G HA3 0.022 3.974 3.960 -0.013 0.000 0.255 288 G C 0.094 174.935 174.900 -0.098 0.000 0.880 288 G CA -0.218 44.338 45.100 -0.907 0.000 1.956 288 G HN 0.137 nan 8.290 nan 0.000 0.634 289 K N 0.468 120.859 120.400 -0.015 0.000 2.130 289 K HA 0.196 4.508 4.320 -0.013 0.000 0.268 289 K C 0.957 177.684 176.600 0.211 0.000 0.983 289 K CA -0.737 55.618 56.287 0.113 0.000 0.893 289 K CB 2.224 34.781 32.500 0.093 0.000 1.066 289 K HN 0.419 nan 8.250 nan 0.000 0.450 290 E N 1.598 121.886 120.200 0.147 0.000 2.118 290 E HA -0.209 4.133 4.350 -0.013 0.000 0.195 290 E C 1.460 178.082 176.600 0.037 0.000 0.992 290 E CA 0.912 57.349 56.400 0.061 0.000 0.804 290 E CB 0.180 29.916 29.700 0.060 0.000 0.741 290 E HN 0.398 nan 8.360 nan 0.000 0.458 291 L N 1.366 122.658 121.223 0.116 0.000 2.042 291 L HA -0.178 4.154 4.340 -0.013 0.000 0.210 291 L C 2.382 179.364 176.870 0.186 0.000 1.076 291 L CA 1.655 56.589 54.840 0.156 0.000 0.749 291 L CB -0.575 41.649 42.059 0.275 0.000 0.893 291 L HN 0.022 nan 8.230 nan 0.000 0.432 292 R N -0.446 120.131 120.500 0.129 0.000 2.073 292 R HA -0.131 4.201 4.340 -0.013 0.000 0.234 292 R C 2.240 178.605 176.300 0.107 0.000 1.134 292 R CA 1.739 57.856 56.100 0.028 0.000 0.952 292 R CB -1.290 28.854 30.300 -0.260 0.000 0.850 292 R HN 0.428 nan 8.270 nan 0.000 0.433 293 L N 1.417 122.603 121.223 -0.061 0.000 2.079 293 L HA -0.140 4.192 4.340 -0.013 0.000 0.210 293 L C 1.953 178.763 176.870 -0.100 0.000 1.081 293 L CA 1.898 56.487 54.840 -0.418 0.000 0.752 293 L CB -0.375 41.114 42.059 -0.951 0.000 0.896 293 L HN 0.051 nan 8.230 nan 0.000 0.433 294 K N -1.070 119.321 120.400 -0.014 0.000 2.057 294 K HA -0.172 4.140 4.320 -0.013 0.000 0.207 294 K C 2.085 178.847 176.600 0.269 0.000 1.049 294 K CA 1.731 58.080 56.287 0.103 0.000 0.931 294 K CB -0.132 32.271 32.500 -0.162 0.000 0.714 294 K HN 0.503 nan 8.250 nan 0.000 0.440 295 Q N 0.415 120.346 119.800 0.219 0.000 2.084 295 Q HA -0.192 4.140 4.340 -0.013 0.000 0.202 295 Q C 1.907 178.112 176.000 0.342 0.000 0.978 295 Q CA 1.378 57.366 55.803 0.309 0.000 0.844 295 Q CB -0.027 28.919 28.738 0.345 0.000 0.898 295 Q HN 0.384 nan 8.270 nan 0.000 0.426 296 E N -0.058 120.298 120.200 0.260 0.000 2.051 296 E HA -0.207 4.135 4.350 -0.013 0.000 0.192 296 E C 1.740 178.458 176.600 0.195 0.000 0.991 296 E CA 1.041 57.575 56.400 0.223 0.000 0.799 296 E CB -0.124 29.685 29.700 0.182 0.000 0.748 296 E HN 0.317 nan 8.360 nan 0.000 0.449 297 Y N 0.344 120.690 120.300 0.077 0.000 2.263 297 Y HA -0.205 4.337 4.550 -0.013 0.000 0.292 297 Y C 1.923 177.853 175.900 0.050 0.000 1.130 297 Y CA 0.982 59.080 58.100 -0.003 0.000 1.179 297 Y CB -0.340 38.082 38.460 -0.063 0.000 0.998 297 Y HN 0.022 nan 8.280 nan 0.000 0.532 298 F N -0.233 119.701 119.950 -0.026 0.000 2.043 298 F HA -0.261 4.259 4.527 -0.013 0.000 0.297 298 F C 2.513 178.153 175.800 -0.267 0.000 1.121 298 F CA 2.125 60.061 58.000 -0.106 0.000 1.199 298 F CB -1.190 37.903 39.000 0.155 0.000 0.968 298 F HN -0.087 nan 8.300 nan 0.000 0.478 299 V N -0.277 119.564 119.914 -0.121 0.000 2.392 299 V HA -0.231 3.881 4.120 -0.013 0.000 0.249 299 V C 2.185 178.105 176.094 -0.291 0.000 1.059 299 V CA 1.994 64.180 62.300 -0.189 0.000 1.051 299 V CB -0.433 31.503 31.823 0.189 0.000 0.658 299 V HN 0.300 nan 8.190 nan 0.000 0.455 300 V N 0.220 119.975 119.914 -0.265 0.000 2.323 300 V HA -0.142 3.970 4.120 -0.013 0.000 0.244 300 V C 2.776 178.600 176.094 -0.449 0.000 1.041 300 V CA 1.995 64.127 62.300 -0.279 0.000 1.025 300 V CB -1.051 30.668 31.823 -0.174 0.000 0.656 300 V HN 0.635 nan 8.190 nan 0.000 0.451 301 A N -0.029 122.359 122.820 -0.720 0.000 1.877 301 A HA -0.127 4.186 4.320 -0.013 0.000 0.216 301 A C 2.405 179.624 177.584 -0.610 0.000 1.186 301 A CA 2.208 53.825 52.037 -0.699 0.000 0.620 301 A CB -0.831 17.552 19.000 -1.028 0.000 0.822 301 A HN 0.559 nan 8.150 nan 0.000 0.443 302 A N -1.080 121.218 122.820 -0.869 0.000 1.873 302 A HA -0.070 4.243 4.320 -0.013 0.000 0.215 302 A C 2.317 179.423 177.584 -0.797 0.000 1.186 302 A CA 2.288 53.648 52.037 -1.128 0.000 0.616 302 A CB -1.362 16.322 19.000 -2.193 0.000 0.823 302 A HN 0.425 nan 8.150 nan 0.000 0.442 303 T N 0.465 114.656 114.554 -0.606 0.000 2.720 303 T HA -0.130 4.212 4.350 -0.013 0.000 0.268 303 T C 1.817 176.246 174.700 -0.451 0.000 1.037 303 T CA 1.527 63.395 62.100 -0.387 0.000 1.144 303 T CB -0.392 68.247 68.868 -0.383 0.000 0.864 303 T HN 0.333 nan 8.240 nan 0.000 0.444 304 L N 0.572 121.574 121.223 -0.369 0.000 2.083 304 L HA -0.145 4.187 4.340 -0.013 0.000 0.209 304 L C 2.932 179.677 176.870 -0.209 0.000 1.083 304 L CA 1.356 56.027 54.840 -0.281 0.000 0.752 304 L CB -0.446 41.487 42.059 -0.210 0.000 0.899 304 L HN 0.345 nan 8.230 nan 0.000 0.433 305 Q N -0.641 119.039 119.800 -0.199 0.000 2.124 305 Q HA -0.254 4.079 4.340 -0.013 0.000 0.202 305 Q C 1.720 177.681 176.000 -0.065 0.000 0.977 305 Q CA 1.731 57.466 55.803 -0.113 0.000 0.850 305 Q CB -0.089 28.574 28.738 -0.126 0.000 0.901 305 Q HN 0.407 nan 8.270 nan 0.000 0.429 306 D N 0.369 120.723 120.400 -0.077 0.000 2.144 306 D HA -0.074 4.558 4.640 -0.013 0.000 0.200 306 D C 1.628 177.863 176.300 -0.108 0.000 0.978 306 D CA 0.742 54.735 54.000 -0.011 0.000 0.833 306 D CB 0.035 40.921 40.800 0.143 0.000 0.961 306 D HN 0.162 nan 8.370 nan 0.000 0.470 307 I N -0.026 120.378 120.570 -0.277 0.000 2.202 307 I HA -0.213 3.949 4.170 -0.013 0.000 0.242 307 I C 2.205 178.319 176.117 -0.004 0.000 1.091 307 I CA 0.725 61.802 61.300 -0.371 0.000 1.368 307 I CB -0.048 37.584 38.000 -0.615 0.000 1.058 307 I HN 0.011 nan 8.210 nan 0.000 0.410 308 I N 0.231 120.855 120.570 0.089 0.000 2.394 308 I HA -0.266 3.896 4.170 -0.013 0.000 0.251 308 I C 2.733 178.994 176.117 0.239 0.000 1.136 308 I CA 0.980 62.449 61.300 0.282 0.000 1.425 308 I CB -0.328 37.788 38.000 0.195 0.000 1.079 308 I HN 0.179 nan 8.210 nan 0.000 0.425 309 R N 1.130 121.701 120.500 0.118 0.000 2.070 309 R HA -0.208 4.125 4.340 -0.013 0.000 0.233 309 R C 2.463 178.819 176.300 0.093 0.000 1.137 309 R CA 1.658 57.811 56.100 0.090 0.000 0.945 309 R CB -0.267 30.065 30.300 0.053 0.000 0.845 309 R HN 0.188 nan 8.270 nan 0.000 0.430 310 R N -0.640 119.916 120.500 0.094 0.000 2.105 310 R HA -0.175 4.157 4.340 -0.013 0.000 0.239 310 R C 2.190 178.578 176.300 0.147 0.000 1.135 310 R CA 1.808 57.977 56.100 0.114 0.000 0.967 310 R CB -0.372 29.996 30.300 0.113 0.000 0.861 310 R HN 0.277 nan 8.270 nan 0.000 0.442 311 F N 1.622 121.590 119.950 0.030 0.000 2.146 311 F HA -0.129 4.391 4.527 -0.013 0.000 0.298 311 F C 1.703 177.452 175.800 -0.085 0.000 1.096 311 F CA 1.490 59.467 58.000 -0.039 0.000 1.275 311 F CB -0.066 38.953 39.000 0.032 0.000 1.008 311 F HN -0.172 nan 8.300 nan 0.000 0.480 312 K N -0.063 120.228 120.400 -0.182 0.000 2.209 312 K HA -0.108 4.204 4.320 -0.013 0.000 0.204 312 K C 2.143 178.637 176.600 -0.176 0.000 1.048 312 K CA 1.331 57.455 56.287 -0.272 0.000 0.940 312 K CB -0.222 32.256 32.500 -0.036 0.000 0.729 312 K HN 0.280 nan 8.250 nan 0.000 0.451 313 S N 0.177 115.839 115.700 -0.064 0.000 2.315 313 S HA -0.041 4.421 4.470 -0.013 0.000 0.211 313 S C 1.283 175.898 174.600 0.026 0.000 1.029 313 S CA 0.278 58.496 58.200 0.030 0.000 0.956 313 S CB -0.064 63.214 63.200 0.130 0.000 0.918 313 S HN 0.266 nan 8.310 nan 0.000 0.470 314 S N 0.722 116.451 115.700 0.048 0.000 4.103 314 S HA -0.295 4.167 4.470 -0.013 0.000 0.538 314 S C 0.983 175.602 174.600 0.031 0.000 1.351 314 S CA 2.106 60.349 58.200 0.071 0.000 3.695 314 S CB -0.649 62.626 63.200 0.125 0.000 1.942 314 S HN 0.479 nan 8.310 nan 0.000 0.539 315 K N -0.545 119.917 120.400 0.103 0.000 2.483 315 K HA 0.440 4.753 4.320 -0.013 0.000 0.206 315 K C 0.886 177.374 176.600 -0.187 0.000 1.086 315 K CA 0.028 56.261 56.287 -0.090 0.000 1.052 315 K CB 0.216 32.611 32.500 -0.174 0.000 0.904 315 K HN 0.335 nan 8.250 nan 0.000 0.557 316 F N -0.826 118.996 119.950 -0.213 0.000 2.446 316 F HA 0.232 4.751 4.527 -0.013 0.000 0.292 316 F C 1.812 177.496 175.800 -0.192 0.000 1.096 316 F CA 0.204 58.062 58.000 -0.237 0.000 1.438 316 F CB -0.057 38.687 39.000 -0.427 0.000 1.107 316 F HN -0.004 nan 8.300 nan 0.000 0.546 317 G N -1.640 107.177 108.800 0.027 0.000 3.452 317 G HA2 0.237 4.190 3.960 -0.013 0.000 0.258 317 G HA3 0.237 4.190 3.960 -0.013 0.000 0.258 317 G C 0.374 175.276 174.900 0.003 0.000 1.305 317 G CA 0.426 45.526 45.100 -0.000 0.000 1.514 317 G HN 0.439 nan 8.290 nan 0.000 0.593 318 C N -1.448 117.838 119.300 -0.023 0.000 3.692 318 C HA 0.350 4.803 4.460 -0.013 0.000 0.448 318 C C 1.298 176.256 174.990 -0.052 0.000 1.278 318 C CA 0.787 59.785 59.018 -0.034 0.000 2.229 318 C CB 0.478 28.187 27.740 -0.052 0.000 2.815 318 C HN 0.591 nan 8.230 nan 0.000 0.440 319 R N 0.986 121.431 120.500 -0.092 0.000 3.342 319 R HA 0.363 4.696 4.340 -0.013 0.000 0.093 319 R C -0.324 175.877 176.300 -0.165 0.000 0.672 319 R CA 1.000 57.039 56.100 -0.102 0.000 0.495 319 R CB -1.021 29.223 30.300 -0.093 0.000 0.508 319 R HN 0.276 nan 8.270 nan 0.000 0.335 320 D N -0.251 120.017 120.400 -0.221 0.000 3.455 320 D HA -0.137 4.495 4.640 -0.013 0.000 0.216 320 D C -1.597 174.603 176.300 -0.167 0.000 1.510 320 D CA 1.490 55.306 54.000 -0.306 0.000 1.128 320 D CB -1.254 39.154 40.800 -0.652 0.000 0.680 320 D HN 0.405 nan 8.370 nan 0.000 0.828 321 P HA 0.036 nan 4.420 nan 0.000 0.222 321 P C 0.389 177.676 177.300 -0.021 0.000 1.147 321 P CA 0.937 64.010 63.100 -0.045 0.000 0.790 321 P CB 0.245 31.948 31.700 0.004 0.000 0.780 322 V N -0.577 119.325 119.914 -0.020 0.000 3.559 322 V HA -0.203 3.909 4.120 -0.013 0.000 0.476 322 V C -0.299 175.810 176.094 0.025 0.000 0.682 322 V CA 1.118 63.417 62.300 -0.002 0.000 1.988 322 V CB -1.266 30.550 31.823 -0.012 0.000 2.423 322 V HN 0.571 nan 8.190 nan 0.000 0.500 323 R N 2.849 123.375 120.500 0.042 0.000 7.363 323 R HA 0.030 4.363 4.340 -0.013 0.000 0.261 323 R C -0.002 176.342 176.300 0.074 0.000 0.794 323 R CA 0.487 56.622 56.100 0.058 0.000 1.826 323 R CB -0.182 30.155 30.300 0.062 0.000 1.258 323 R HN 0.792 nan 8.270 nan 0.000 0.877 324 T N 2.889 117.482 114.554 0.065 0.000 3.057 324 T HA -0.034 4.309 4.350 -0.013 0.000 0.232 324 T C 0.237 174.979 174.700 0.070 0.000 1.018 324 T CA 0.367 62.480 62.100 0.021 0.000 1.506 324 T CB -0.795 68.119 68.868 0.076 0.000 1.063 324 T HN 0.349 nan 8.240 nan 0.000 0.613 325 N N 1.294 120.043 118.700 0.081 0.000 2.414 325 N HA 0.298 5.030 4.740 -0.013 0.000 0.256 325 N C 0.108 175.687 175.510 0.114 0.000 1.029 325 N CA -0.535 52.608 53.050 0.154 0.000 0.948 325 N CB 0.461 39.054 38.487 0.177 0.000 1.102 325 N HN 0.376 nan 8.380 nan 0.000 0.496 326 F N 0.680 120.716 119.950 0.143 0.000 2.769 326 F HA 0.062 4.581 4.527 -0.013 0.000 0.304 326 F C 1.500 177.336 175.800 0.060 0.000 1.158 326 F CA 0.108 58.149 58.000 0.069 0.000 1.398 326 F CB 0.180 39.103 39.000 -0.129 0.000 1.094 326 F HN 0.566 nan 8.300 nan 0.000 0.553 327 D N 0.178 120.707 120.400 0.214 0.000 2.219 327 D HA -0.106 4.526 4.640 -0.013 0.000 0.205 327 D C 2.100 178.496 176.300 0.159 0.000 0.970 327 D CA 1.111 55.209 54.000 0.163 0.000 0.851 327 D CB 0.166 41.053 40.800 0.146 0.000 0.943 327 D HN 0.326 nan 8.370 nan 0.000 0.488 328 A N -0.043 122.905 122.820 0.212 0.000 2.275 328 A HA 0.048 4.360 4.320 -0.013 0.000 0.212 328 A C 1.543 179.164 177.584 0.061 0.000 1.201 328 A CA -0.338 51.834 52.037 0.225 0.000 0.843 328 A CB -0.453 18.847 19.000 0.500 0.000 0.873 328 A HN 0.075 nan 8.150 nan 0.000 0.492 329 F N 2.186 121.956 119.950 -0.299 0.000 2.065 329 F HA -0.114 4.406 4.527 -0.013 0.000 0.298 329 F C -0.846 174.759 175.800 -0.324 0.000 1.112 329 F CA 2.273 59.857 58.000 -0.693 0.000 1.212 329 F CB -0.886 37.788 39.000 -0.543 0.000 0.975 329 F HN 0.189 nan 8.300 nan 0.000 0.476 330 P HA -0.098 nan 4.420 nan 0.000 0.225 330 P C 0.735 177.970 177.300 -0.108 0.000 1.148 330 P CA 1.555 64.584 63.100 -0.118 0.000 0.779 330 P CB -0.076 31.602 31.700 -0.036 0.000 0.780 331 D N -1.147 119.217 120.400 -0.059 0.000 2.348 331 D HA -0.006 4.626 4.640 -0.013 0.000 0.211 331 D C 1.508 177.805 176.300 -0.005 0.000 0.998 331 D CA 0.765 54.765 54.000 0.000 0.000 0.873 331 D CB 0.148 40.991 40.800 0.072 0.000 0.925 331 D HN 0.122 nan 8.370 nan 0.000 0.524 332 K N -0.200 120.147 120.400 -0.088 0.000 2.464 332 K HA 0.215 4.528 4.320 -0.013 0.000 0.206 332 K C 0.046 176.538 176.600 -0.181 0.000 1.186 332 K CA 0.119 56.369 56.287 -0.062 0.000 0.990 332 K CB 2.222 34.766 32.500 0.073 0.000 1.003 332 K HN -0.067 nan 8.250 nan 0.000 0.562 333 V N 0.849 120.541 119.914 -0.370 0.000 2.735 333 V HA 0.736 4.848 4.120 -0.013 0.000 0.310 333 V C -1.133 174.839 176.094 -0.203 0.000 1.061 333 V CA -1.240 60.845 62.300 -0.359 0.000 0.913 333 V CB 1.926 33.216 31.823 -0.889 0.000 1.005 333 V HN 0.121 nan 8.190 nan 0.000 0.428 334 A N 4.711 127.487 122.820 -0.074 0.000 2.402 334 A HA 0.869 5.181 4.320 -0.013 0.000 0.291 334 A C -1.145 176.451 177.584 0.021 0.000 1.051 334 A CA -0.399 51.627 52.037 -0.019 0.000 0.716 334 A CB 1.247 20.199 19.000 -0.080 0.000 1.223 334 A HN 1.272 nan 8.150 nan 0.000 0.425 335 I N 0.606 121.236 120.570 0.100 0.000 2.389 335 I HA 0.722 4.884 4.170 -0.013 0.000 0.288 335 I C -0.572 175.639 176.117 0.156 0.000 0.999 335 I CA -0.420 60.956 61.300 0.127 0.000 1.129 335 I CB 1.862 39.916 38.000 0.089 0.000 1.288 335 I HN 0.520 nan 8.210 nan 0.000 0.444 336 Q N 5.811 125.712 119.800 0.168 0.000 2.278 336 Q HA 0.522 4.854 4.340 -0.013 0.000 0.257 336 Q C -1.590 174.431 176.000 0.034 0.000 0.928 336 Q CA -0.404 55.533 55.803 0.223 0.000 0.932 336 Q CB 1.445 30.436 28.738 0.420 0.000 1.221 336 Q HN 0.758 nan 8.270 nan 0.000 0.434 337 L N 4.335 125.608 121.223 0.084 0.000 2.259 337 L HA 0.322 4.654 4.340 -0.013 0.000 0.288 337 L C -0.266 176.642 176.870 0.062 0.000 1.051 337 L CA -0.237 54.639 54.840 0.061 0.000 0.824 337 L CB 0.493 42.631 42.059 0.131 0.000 1.206 337 L HN 0.597 nan 8.230 nan 0.000 0.429 338 N N 4.017 122.669 118.700 -0.081 0.000 2.466 338 N HA 0.125 4.857 4.740 -0.013 0.000 0.263 338 N C -0.069 175.482 175.510 0.069 0.000 1.178 338 N CA 0.591 53.649 53.050 0.014 0.000 0.983 338 N CB -0.182 38.214 38.487 -0.151 0.000 1.331 338 N HN 0.567 nan 8.380 nan 0.000 0.500 339 D N -0.423 120.125 120.400 0.246 0.000 4.259 339 D HA -0.217 4.415 4.640 -0.013 0.000 0.290 339 D C 0.374 176.765 176.300 0.151 0.000 2.199 339 D CA 1.502 55.624 54.000 0.203 0.000 1.194 339 D CB -0.697 39.935 40.800 -0.279 0.000 1.003 339 D HN 0.452 nan 8.370 nan 0.000 1.204 340 T N -2.467 112.089 114.554 0.004 0.000 3.107 340 T HA 0.143 4.486 4.350 -0.013 0.000 0.249 340 T C 1.655 176.408 174.700 0.089 0.000 1.096 340 T CA 1.454 63.537 62.100 -0.028 0.000 1.012 340 T CB -0.513 68.304 68.868 -0.085 0.000 0.977 340 T HN 0.510 nan 8.240 nan 0.000 0.527 341 H N 2.660 121.811 119.070 0.135 0.000 2.353 341 H HA -0.015 4.534 4.556 -0.013 0.000 0.298 341 H C -0.892 174.523 175.328 0.144 0.000 1.103 341 H CA 1.128 57.275 56.048 0.165 0.000 1.293 341 H CB -0.936 28.927 29.762 0.168 0.000 1.372 341 H HN 0.439 nan 8.280 nan 0.000 0.501 342 P HA 0.061 nan 4.420 nan 0.000 0.249 342 P C 0.780 178.122 177.300 0.069 0.000 1.583 342 P CA 0.366 63.545 63.100 0.131 0.000 0.988 342 P CB 0.254 32.020 31.700 0.110 0.000 1.530 343 S N -0.418 115.315 115.700 0.055 0.000 2.469 343 S HA -0.110 4.352 4.470 -0.013 0.000 0.238 343 S C 1.670 176.274 174.600 0.007 0.000 0.998 343 S CA 0.736 58.929 58.200 -0.010 0.000 0.957 343 S CB -1.375 61.792 63.200 -0.054 0.000 0.764 343 S HN 0.154 nan 8.310 nan 0.000 0.514 344 L N 0.815 122.060 121.223 0.037 0.000 2.465 344 L HA 0.088 4.421 4.340 -0.013 0.000 0.224 344 L C 2.919 179.831 176.870 0.071 0.000 1.145 344 L CA 0.598 55.468 54.840 0.050 0.000 0.834 344 L CB -0.673 41.420 42.059 0.057 0.000 0.944 344 L HN 0.478 nan 8.230 nan 0.000 0.451 345 A N 0.523 123.360 122.820 0.030 0.000 1.978 345 A HA -0.201 4.112 4.320 -0.013 0.000 0.220 345 A C 2.160 179.744 177.584 -0.001 0.000 1.170 345 A CA 1.507 53.544 52.037 0.001 0.000 0.636 345 A CB -0.445 18.545 19.000 -0.016 0.000 0.810 345 A HN 0.351 nan 8.150 nan 0.000 0.448 346 I N 0.312 120.884 120.570 0.003 0.000 2.090 346 I HA -0.143 4.019 4.170 -0.013 0.000 0.236 346 I C -0.359 175.777 176.117 0.031 0.000 1.064 346 I CA 1.631 62.931 61.300 -0.000 0.000 1.324 346 I CB -0.885 37.120 38.000 0.010 0.000 1.044 346 I HN 0.236 nan 8.210 nan 0.000 0.399 347 P HA -0.182 nan 4.420 nan 0.000 0.220 347 P C 1.256 178.557 177.300 0.003 0.000 1.148 347 P CA 1.510 64.641 63.100 0.052 0.000 0.803 347 P CB 0.024 31.777 31.700 0.087 0.000 0.782 348 E N 0.276 120.543 120.200 0.111 0.000 2.072 348 E HA -0.143 4.200 4.350 -0.013 0.000 0.190 348 E C 1.894 178.465 176.600 -0.050 0.000 0.982 348 E CA 0.632 57.106 56.400 0.122 0.000 0.803 348 E CB -1.207 28.627 29.700 0.224 0.000 0.755 348 E HN -0.006 nan 8.360 nan 0.000 0.453 349 L N -0.015 121.157 121.223 -0.084 0.000 2.141 349 L HA -0.043 4.290 4.340 -0.013 0.000 0.209 349 L C 1.976 178.701 176.870 -0.243 0.000 1.094 349 L CA 1.610 56.346 54.840 -0.173 0.000 0.763 349 L CB -0.457 41.510 42.059 -0.154 0.000 0.908 349 L HN 0.248 nan 8.230 nan 0.000 0.437 350 M N -0.957 118.516 119.600 -0.212 0.000 2.156 350 M HA -0.141 4.331 4.480 -0.013 0.000 0.264 350 M C 2.391 178.513 176.300 -0.296 0.000 1.067 350 M CA 1.346 56.467 55.300 -0.298 0.000 1.131 350 M CB -1.046 31.367 32.600 -0.312 0.000 1.368 350 M HN 0.309 nan 8.290 nan 0.000 0.416 351 R N -0.011 120.338 120.500 -0.252 0.000 2.091 351 R HA -0.126 4.207 4.340 -0.013 0.000 0.238 351 R C 2.021 178.205 176.300 -0.193 0.000 1.136 351 R CA 1.509 57.464 56.100 -0.241 0.000 0.959 351 R CB -0.136 29.962 30.300 -0.337 0.000 0.856 351 R HN 0.183 nan 8.270 nan 0.000 0.437 352 V N 1.259 121.056 119.914 -0.196 0.000 2.307 352 V HA -0.225 3.888 4.120 -0.013 0.000 0.245 352 V C 2.387 178.309 176.094 -0.287 0.000 1.045 352 V CA 1.587 63.767 62.300 -0.200 0.000 1.024 352 V CB -0.320 31.382 31.823 -0.202 0.000 0.651 352 V HN 0.339 nan 8.190 nan 0.000 0.449 353 L N -0.803 120.188 121.223 -0.386 0.000 2.056 353 L HA -0.134 4.198 4.340 -0.013 0.000 0.207 353 L C 2.397 179.077 176.870 -0.317 0.000 1.078 353 L CA 1.176 55.727 54.840 -0.482 0.000 0.749 353 L CB -0.544 41.192 42.059 -0.538 0.000 0.901 353 L HN 0.199 nan 8.230 nan 0.000 0.433 354 V N -0.516 119.247 119.914 -0.251 0.000 2.300 354 V HA -0.194 3.918 4.120 -0.013 0.000 0.241 354 V C 2.033 178.073 176.094 -0.089 0.000 1.034 354 V CA 1.690 63.901 62.300 -0.148 0.000 1.021 354 V CB -0.295 31.454 31.823 -0.124 0.000 0.662 354 V HN 0.352 nan 8.190 nan 0.000 0.458 355 D N 0.004 120.348 120.400 -0.093 0.000 2.117 355 D HA -0.063 4.569 4.640 -0.013 0.000 0.198 355 D C 2.077 178.343 176.300 -0.056 0.000 0.982 355 D CA 1.307 55.272 54.000 -0.059 0.000 0.828 355 D CB -0.058 40.703 40.800 -0.064 0.000 0.967 355 D HN 0.311 nan 8.370 nan 0.000 0.464 356 L N 0.372 121.545 121.223 -0.083 0.000 2.189 356 L HA 0.062 4.395 4.340 -0.013 0.000 0.199 356 L C 1.997 178.826 176.870 -0.068 0.000 1.074 356 L CA 0.636 55.437 54.840 -0.065 0.000 0.783 356 L CB -0.259 41.760 42.059 -0.067 0.000 0.955 356 L HN -0.135 nan 8.230 nan 0.000 0.460 357 E N 0.743 120.867 120.200 -0.128 0.000 2.435 357 E HA -0.017 4.325 4.350 -0.013 0.000 0.195 357 E C 0.091 176.647 176.600 -0.073 0.000 1.029 357 E CA 0.000 56.332 56.400 -0.113 0.000 0.865 357 E CB 0.158 29.683 29.700 -0.292 0.000 0.833 357 E HN 0.288 nan 8.360 nan 0.000 0.510 358 R N 0.022 120.476 120.500 -0.078 0.000 3.423 358 R HA -0.189 4.143 4.340 -0.013 0.000 0.271 358 R C -0.426 175.856 176.300 -0.030 0.000 1.093 358 R CA 0.249 56.327 56.100 -0.037 0.000 0.730 358 R CB -2.518 27.780 30.300 -0.003 0.000 1.190 358 R HN 0.051 nan 8.270 nan 0.000 0.437 359 L N 1.659 122.837 121.223 -0.075 0.000 2.439 359 L HA 0.190 4.522 4.340 -0.013 0.000 0.259 359 L C 1.315 178.176 176.870 -0.016 0.000 1.129 359 L CA 0.117 54.926 54.840 -0.052 0.000 0.803 359 L CB 0.438 42.424 42.059 -0.122 0.000 1.161 359 L HN 0.141 nan 8.230 nan 0.000 0.462 360 D N -0.083 120.332 120.400 0.025 0.000 2.344 360 D HA -0.111 4.522 4.640 -0.013 0.000 0.244 360 D C 0.941 177.299 176.300 0.098 0.000 1.134 360 D CA -0.545 53.504 54.000 0.082 0.000 0.930 360 D CB 0.730 41.586 40.800 0.094 0.000 1.175 360 D HN 0.584 nan 8.370 nan 0.000 0.437 361 W N 1.976 123.281 121.300 0.009 0.000 2.298 361 W HA -0.262 4.390 4.660 -0.013 0.000 0.328 361 W C 1.224 177.789 176.519 0.076 0.000 1.259 361 W CA 2.080 59.436 57.345 0.019 0.000 1.251 361 W CB -0.341 29.111 29.460 -0.013 0.000 1.161 361 W HN 0.497 nan 8.180 nan 0.000 0.466 362 D N 0.064 120.658 120.400 0.322 0.000 2.133 362 D HA -0.214 4.419 4.640 -0.013 0.000 0.195 362 D C 2.056 178.452 176.300 0.161 0.000 0.997 362 D CA 1.471 55.632 54.000 0.269 0.000 0.840 362 D CB -0.478 40.461 40.800 0.232 0.000 0.947 362 D HN 0.105 nan 8.370 nan 0.000 0.452 363 K N 0.977 121.433 120.400 0.093 0.000 2.057 363 K HA -0.029 4.283 4.320 -0.013 0.000 0.206 363 K C 2.003 178.598 176.600 -0.009 0.000 1.050 363 K CA 0.931 57.248 56.287 0.051 0.000 0.935 363 K CB -0.275 32.251 32.500 0.043 0.000 0.715 363 K HN 0.030 nan 8.250 nan 0.000 0.439 364 A N 0.836 123.609 122.820 -0.079 0.000 1.902 364 A HA -0.194 4.118 4.320 -0.013 0.000 0.217 364 A C 2.129 179.623 177.584 -0.150 0.000 1.181 364 A CA 1.337 53.259 52.037 -0.192 0.000 0.623 364 A CB -1.064 17.746 19.000 -0.317 0.000 0.818 364 A HN 0.660 nan 8.150 nan 0.000 0.443 365 W N 0.674 121.770 121.300 -0.339 0.000 2.388 365 W HA -0.149 4.503 4.660 -0.013 0.000 0.294 365 W C 1.954 178.419 176.519 -0.090 0.000 1.212 365 W CA 1.735 58.935 57.345 -0.242 0.000 1.271 365 W CB -0.069 29.294 29.460 -0.162 0.000 1.126 365 W HN 0.605 nan 8.180 nan 0.000 0.535 366 E N 0.170 120.368 120.200 -0.003 0.000 2.077 366 E HA -0.208 4.135 4.350 -0.013 0.000 0.193 366 E C 2.030 178.553 176.600 -0.127 0.000 0.989 366 E CA 1.666 58.025 56.400 -0.068 0.000 0.800 366 E CB -0.224 29.495 29.700 0.031 0.000 0.746 366 E HN 0.080 nan 8.360 nan 0.000 0.452 367 V N 0.654 120.506 119.914 -0.102 0.000 2.270 367 V HA -0.243 3.869 4.120 -0.013 0.000 0.245 367 V C 2.421 178.447 176.094 -0.113 0.000 1.043 367 V CA 2.163 64.421 62.300 -0.071 0.000 1.014 367 V CB -0.793 30.984 31.823 -0.077 0.000 0.645 367 V HN 0.360 nan 8.190 nan 0.000 0.447 368 T N 0.169 114.589 114.554 -0.223 0.000 2.635 368 T HA -0.209 4.134 4.350 -0.013 0.000 0.267 368 T C 1.939 176.449 174.700 -0.316 0.000 1.040 368 T CA 1.914 63.856 62.100 -0.264 0.000 1.156 368 T CB -0.345 68.315 68.868 -0.347 0.000 0.863 368 T HN 0.257 nan 8.240 nan 0.000 0.430 369 V N 1.214 120.803 119.914 -0.542 0.000 2.332 369 V HA -0.181 3.932 4.120 -0.013 0.000 0.248 369 V C 2.386 178.413 176.094 -0.112 0.000 1.055 369 V CA 1.662 63.707 62.300 -0.425 0.000 1.038 369 V CB -0.487 31.008 31.823 -0.546 0.000 0.651 369 V HN 0.448 nan 8.190 nan 0.000 0.450 370 K N -0.243 120.080 120.400 -0.128 0.000 2.283 370 K HA -0.120 4.192 4.320 -0.013 0.000 0.202 370 K C 2.153 178.719 176.600 -0.056 0.000 1.048 370 K CA 1.594 57.801 56.287 -0.133 0.000 0.948 370 K CB -0.165 32.256 32.500 -0.132 0.000 0.742 370 K HN 0.674 nan 8.250 nan 0.000 0.458 371 T N -2.152 112.425 114.554 0.038 0.000 3.015 371 T HA 0.083 4.426 4.350 -0.013 0.000 0.250 371 T C 0.665 175.465 174.700 0.166 0.000 1.057 371 T CA -0.284 61.868 62.100 0.087 0.000 1.066 371 T CB -0.008 68.905 68.868 0.075 0.000 0.959 371 T HN 0.005 nan 8.240 nan 0.000 0.488 372 C N 2.693 122.077 119.300 0.140 0.000 2.350 372 C HA 0.910 5.362 4.460 -0.013 0.000 0.348 372 C C 0.557 175.595 174.990 0.078 0.000 1.260 372 C CA -0.844 58.234 59.018 0.099 0.000 1.966 372 C CB 0.048 27.788 27.740 -0.001 0.000 2.380 372 C HN 0.742 nan 8.230 nan 0.000 0.535 373 A N 2.520 125.383 122.820 0.071 0.000 2.422 373 A HA 0.717 5.029 4.320 -0.013 0.000 0.302 373 A C -1.509 176.143 177.584 0.113 0.000 1.041 373 A CA -0.365 51.665 52.037 -0.012 0.000 0.708 373 A CB 0.980 19.983 19.000 0.005 0.000 1.257 373 A HN 0.872 nan 8.150 nan 0.000 0.414 374 Y N 1.351 121.595 120.300 -0.092 0.000 2.393 374 Y HA 0.691 5.234 4.550 -0.012 0.000 0.341 374 Y C -0.428 175.444 175.900 -0.047 0.000 0.988 374 Y CA -0.620 57.437 58.100 -0.072 0.000 1.078 374 Y CB 1.955 40.330 38.460 -0.141 0.000 1.203 374 Y HN 0.544 nan 8.280 nan 0.000 0.453 375 T N 7.074 121.444 114.554 -0.308 0.000 2.779 375 T HA 0.245 4.587 4.350 -0.013 0.000 0.280 375 T C -0.701 173.501 174.700 -0.830 0.000 0.987 375 T CA -0.821 60.997 62.100 -0.470 0.000 0.966 375 T CB 0.358 69.171 68.868 -0.091 0.000 0.933 375 T HN 0.680 nan 8.240 nan 0.000 0.442 376 N N 1.540 119.746 118.700 -0.823 0.000 2.473 376 N HA 0.173 4.905 4.740 -0.013 0.000 0.291 376 N C 0.004 175.338 175.510 -0.293 0.000 1.083 376 N CA -0.361 52.439 53.050 -0.416 0.000 0.951 376 N CB 0.860 39.293 38.487 -0.091 0.000 1.164 376 N HN 0.683 nan 8.380 nan 0.000 0.480 377 H N 0.496 119.592 119.070 0.044 0.000 3.233 377 H HA 0.160 4.709 4.556 -0.013 0.000 0.263 377 H C -0.206 175.027 175.328 -0.158 0.000 1.168 377 H CA -0.022 55.992 56.048 -0.057 0.000 1.159 377 H CB 1.247 30.989 29.762 -0.032 0.000 1.593 377 H HN 0.526 nan 8.280 nan 0.000 0.580 378 T N 0.364 114.940 114.554 0.037 0.000 2.886 378 T HA 0.259 4.601 4.350 -0.013 0.000 0.330 378 T C 0.419 175.134 174.700 0.025 0.000 1.488 378 T CA -0.354 61.716 62.100 -0.050 0.000 1.054 378 T CB 1.444 70.280 68.868 -0.053 0.000 1.348 378 T HN -0.049 nan 8.240 nan 0.000 0.489 379 V N 1.751 121.643 119.914 -0.035 0.000 3.605 379 V HA 0.491 4.604 4.120 -0.013 0.000 0.284 379 V C 0.969 177.023 176.094 -0.067 0.000 1.386 379 V CA -0.017 62.257 62.300 -0.045 0.000 1.053 379 V CB -0.772 31.027 31.823 -0.040 0.000 0.857 379 V HN 0.796 nan 8.190 nan 0.000 0.436 380 I N -0.186 120.333 120.570 -0.086 0.000 2.556 380 I HA 0.304 4.467 4.170 -0.013 0.000 0.284 380 I C -0.704 175.401 176.117 -0.020 0.000 1.114 380 I CA -1.681 59.590 61.300 -0.047 0.000 1.418 380 I CB 0.543 38.506 38.000 -0.061 0.000 1.394 380 I HN -0.040 nan 8.210 nan 0.000 0.552 381 P HA -0.245 nan 4.420 nan 0.000 0.216 381 P C 1.076 178.361 177.300 -0.026 0.000 1.150 381 P CA 1.571 64.661 63.100 -0.017 0.000 0.843 381 P CB -0.094 31.603 31.700 -0.005 0.000 0.787 382 E N 0.153 120.358 120.200 0.007 0.000 2.478 382 E HA -0.025 4.317 4.350 -0.013 0.000 0.198 382 E C 1.501 178.029 176.600 -0.121 0.000 1.046 382 E CA 0.937 57.310 56.400 -0.044 0.000 0.870 382 E CB -0.576 29.184 29.700 0.100 0.000 0.818 382 E HN 0.216 nan 8.360 nan 0.000 0.527 383 A N 0.945 123.746 122.820 -0.032 0.000 2.220 383 A HA 0.212 4.525 4.320 -0.013 0.000 0.211 383 A C 1.080 178.632 177.584 -0.054 0.000 1.176 383 A CA -0.341 51.697 52.037 0.002 0.000 0.834 383 A CB 0.181 19.214 19.000 0.055 0.000 0.868 383 A HN 0.141 nan 8.150 nan 0.000 0.488 384 L N 1.846 122.996 121.223 -0.123 0.000 2.410 384 L HA 0.136 4.468 4.340 -0.013 0.000 0.273 384 L C -0.071 176.441 176.870 -0.597 0.000 1.152 384 L CA 0.507 55.212 54.840 -0.224 0.000 0.855 384 L CB 0.319 42.286 42.059 -0.153 0.000 1.129 384 L HN 0.402 nan 8.230 nan 0.000 0.463 385 E N 4.911 124.659 120.200 -0.753 0.000 2.129 385 E HA 0.184 4.526 4.350 -0.013 0.000 0.283 385 E C -0.440 175.534 176.600 -1.044 0.000 1.080 385 E CA -0.190 55.308 56.400 -1.503 0.000 0.867 385 E CB 0.627 29.798 29.700 -0.882 0.000 1.056 385 E HN 0.353 nan 8.360 nan 0.000 0.404 386 R N 3.741 123.557 120.500 -1.141 0.000 2.415 386 R HA 0.193 4.525 4.340 -0.013 0.000 0.292 386 R C -1.159 175.007 176.300 -0.224 0.000 1.295 386 R CA -0.563 55.277 56.100 -0.433 0.000 1.137 386 R CB 0.767 30.931 30.300 -0.225 0.000 1.135 386 R HN 0.433 nan 8.270 nan 0.000 0.560 387 W N 4.566 125.833 121.300 -0.055 0.000 2.304 387 W HA 0.228 4.880 4.660 -0.013 0.000 0.313 387 W C -1.863 174.643 176.519 -0.023 0.000 1.323 387 W CA -2.072 55.297 57.345 0.041 0.000 1.223 387 W CB 0.651 30.108 29.460 -0.005 0.000 1.237 387 W HN 0.254 nan 8.180 nan 0.000 0.535 388 P HA -0.084 nan 4.420 nan 0.000 0.264 388 P C 0.740 178.009 177.300 -0.052 0.000 1.193 388 P CA 0.187 63.303 63.100 0.026 0.000 0.763 388 P CB 0.781 32.379 31.700 -0.169 0.000 0.810 389 V N 3.136 123.069 119.914 0.032 0.000 2.490 389 V HA -0.268 3.845 4.120 -0.013 0.000 0.250 389 V C 2.070 178.180 176.094 0.027 0.000 1.061 389 V CA 2.406 64.727 62.300 0.036 0.000 1.064 389 V CB -1.767 30.132 31.823 0.126 0.000 0.670 389 V HN 0.754 nan 8.190 nan 0.000 0.461 390 H N -1.414 117.708 119.070 0.086 0.000 2.491 390 H HA -0.055 4.493 4.556 -0.013 0.000 0.290 390 H C 2.019 177.386 175.328 0.065 0.000 1.050 390 H CA 1.444 57.537 56.048 0.075 0.000 1.309 390 H CB -0.368 29.441 29.762 0.077 0.000 1.392 390 H HN 0.371 nan 8.280 nan 0.000 0.554 391 L N -0.079 120.966 121.223 -0.296 0.000 2.049 391 L HA -0.031 4.301 4.340 -0.013 0.000 0.203 391 L C 2.333 179.127 176.870 -0.127 0.000 1.074 391 L CA 0.737 55.480 54.840 -0.162 0.000 0.749 391 L CB -0.194 41.760 42.059 -0.175 0.000 0.907 391 L HN 0.312 nan 8.230 nan 0.000 0.439 392 L N -0.353 120.777 121.223 -0.156 0.000 2.046 392 L HA -0.274 4.059 4.340 -0.013 0.000 0.208 392 L C 2.533 179.321 176.870 -0.138 0.000 1.077 392 L CA 1.350 56.073 54.840 -0.194 0.000 0.747 392 L CB -0.444 41.498 42.059 -0.194 0.000 0.896 392 L HN 0.360 nan 8.230 nan 0.000 0.432 393 E N -0.562 119.599 120.200 -0.065 0.000 2.097 393 E HA -0.248 4.094 4.350 -0.013 0.000 0.196 393 E C 1.930 178.548 176.600 0.029 0.000 1.000 393 E CA 2.025 58.421 56.400 -0.007 0.000 0.804 393 E CB 0.105 29.843 29.700 0.063 0.000 0.740 393 E HN 0.420 nan 8.360 nan 0.000 0.454 394 T N 0.560 115.150 114.554 0.061 0.000 2.852 394 T HA -0.063 4.279 4.350 -0.013 0.000 0.256 394 T C 1.684 176.469 174.700 0.141 0.000 1.038 394 T CA 0.668 62.852 62.100 0.140 0.000 1.141 394 T CB -0.105 68.876 68.868 0.189 0.000 0.869 394 T HN 0.061 nan 8.240 nan 0.000 0.439 395 L N 0.218 121.427 121.223 -0.023 0.000 2.095 395 L HA 0.323 4.655 4.340 -0.013 0.000 0.204 395 L C 0.268 177.047 176.870 -0.152 0.000 1.080 395 L CA 1.639 56.348 54.840 -0.218 0.000 0.759 395 L CB 0.002 41.887 42.059 -0.290 0.000 0.914 395 L HN 0.175 nan 8.230 nan 0.000 0.439 396 L N 0.459 121.552 121.223 -0.217 0.000 2.502 396 L HA 0.302 4.634 4.340 -0.013 0.000 0.249 396 L C -1.696 174.975 176.870 -0.332 0.000 1.446 396 L CA -0.991 53.629 54.840 -0.367 0.000 0.887 396 L CB 0.936 42.591 42.059 -0.672 0.000 1.126 396 L HN -0.095 nan 8.230 nan 0.000 0.509 397 P HA -0.219 nan 4.420 nan 0.000 0.216 397 P C 1.471 178.582 177.300 -0.315 0.000 1.150 397 P CA 1.313 64.285 63.100 -0.213 0.000 0.843 397 P CB 0.364 32.013 31.700 -0.084 0.000 0.787 398 R N -0.726 119.421 120.500 -0.588 0.000 2.119 398 R HA -0.095 4.238 4.340 -0.013 0.000 0.222 398 R C 2.312 178.338 176.300 -0.457 0.000 1.088 398 R CA 1.264 57.039 56.100 -0.541 0.000 0.984 398 R CB -1.133 28.706 30.300 -0.768 0.000 0.884 398 R HN 0.194 nan 8.270 nan 0.000 0.447 399 H N -0.173 118.589 119.070 -0.513 0.000 2.389 399 H HA -0.048 4.500 4.556 -0.013 0.000 0.299 399 H C 1.741 176.895 175.328 -0.288 0.000 1.081 399 H CA 1.628 57.458 56.048 -0.364 0.000 1.345 399 H CB -0.009 29.503 29.762 -0.417 0.000 1.393 399 H HN 0.095 nan 8.280 nan 0.000 0.520 400 L N 0.460 121.558 121.223 -0.208 0.000 2.046 400 L HA -0.232 4.100 4.340 -0.013 0.000 0.208 400 L C 1.784 178.451 176.870 -0.339 0.000 1.077 400 L CA 1.635 56.282 54.840 -0.321 0.000 0.747 400 L CB -0.305 41.572 42.059 -0.302 0.000 0.896 400 L HN 0.422 nan 8.230 nan 0.000 0.432 401 Q N -0.399 119.305 119.800 -0.160 0.000 2.124 401 Q HA -0.214 4.118 4.340 -0.013 0.000 0.202 401 Q C 2.166 178.176 176.000 0.017 0.000 0.977 401 Q CA 1.511 57.308 55.803 -0.009 0.000 0.850 401 Q CB 0.003 28.750 28.738 0.016 0.000 0.901 401 Q HN 0.551 nan 8.270 nan 0.000 0.429 402 I N 0.137 120.700 120.570 -0.012 0.000 2.353 402 I HA -0.250 3.912 4.170 -0.013 0.000 0.248 402 I C 2.024 178.211 176.117 0.116 0.000 1.119 402 I CA 0.898 62.273 61.300 0.126 0.000 1.417 402 I CB -0.036 37.989 38.000 0.042 0.000 1.078 402 I HN 0.194 nan 8.210 nan 0.000 0.421 403 I N -0.486 120.077 120.570 -0.012 0.000 2.226 403 I HA -0.316 3.846 4.170 -0.013 0.000 0.245 403 I C 2.291 178.431 176.117 0.037 0.000 1.100 403 I CA 1.374 62.660 61.300 -0.024 0.000 1.374 403 I CB -0.350 37.570 38.000 -0.133 0.000 1.057 403 I HN 0.181 nan 8.210 nan 0.000 0.413 404 Y N 0.799 121.102 120.300 0.005 0.000 2.293 404 Y HA -0.239 4.303 4.550 -0.013 0.000 0.291 404 Y C 2.554 178.418 175.900 -0.061 0.000 1.137 404 Y CA 1.417 59.507 58.100 -0.017 0.000 1.202 404 Y CB -0.617 37.827 38.460 -0.028 0.000 0.990 404 Y HN 0.249 nan 8.280 nan 0.000 0.537 405 E N 0.178 120.412 120.200 0.056 0.000 2.158 405 E HA -0.076 4.266 4.350 -0.013 0.000 0.191 405 E C 1.955 178.459 176.600 -0.160 0.000 0.982 405 E CA 0.893 57.187 56.400 -0.177 0.000 0.823 405 E CB -0.463 28.974 29.700 -0.437 0.000 0.766 405 E HN 0.456 nan 8.360 nan 0.000 0.468 406 I N 0.647 121.220 120.570 0.005 0.000 2.252 406 I HA -0.207 3.955 4.170 -0.013 0.000 0.245 406 I C 2.213 178.326 176.117 -0.008 0.000 1.102 406 I CA 1.189 62.444 61.300 -0.073 0.000 1.385 406 I CB -0.301 37.670 38.000 -0.049 0.000 1.064 406 I HN 0.204 nan 8.210 nan 0.000 0.414 407 N N 0.741 119.492 118.700 0.084 0.000 2.084 407 N HA -0.253 4.479 4.740 -0.013 0.000 0.190 407 N C 1.883 177.478 175.510 0.141 0.000 1.030 407 N CA 1.550 54.707 53.050 0.177 0.000 0.849 407 N CB -0.072 38.536 38.487 0.203 0.000 1.012 407 N HN 0.249 nan 8.380 nan 0.000 0.423 408 Q N -0.214 119.611 119.800 0.042 0.000 2.061 408 Q HA -0.117 4.216 4.340 -0.013 0.000 0.204 408 Q C 2.078 178.056 176.000 -0.036 0.000 0.984 408 Q CA 1.582 57.371 55.803 -0.023 0.000 0.846 408 Q CB 0.020 28.701 28.738 -0.096 0.000 0.902 408 Q HN 0.409 nan 8.270 nan 0.000 0.421 409 R N -0.778 119.679 120.500 -0.071 0.000 2.075 409 R HA -0.127 4.205 4.340 -0.013 0.000 0.232 409 R C 2.178 178.504 176.300 0.043 0.000 1.126 409 R CA 1.182 57.241 56.100 -0.068 0.000 0.963 409 R CB -0.427 29.779 30.300 -0.156 0.000 0.858 409 R HN 0.251 nan 8.270 nan 0.000 0.435 410 F N 1.928 121.852 119.950 -0.044 0.000 2.075 410 F HA -0.133 4.386 4.527 -0.013 0.000 0.297 410 F C 1.991 177.817 175.800 0.043 0.000 1.113 410 F CA 1.354 59.378 58.000 0.040 0.000 1.218 410 F CB -0.451 38.603 39.000 0.090 0.000 0.984 410 F HN -0.127 nan 8.300 nan 0.000 0.472 411 L N 0.175 121.380 121.223 -0.030 0.000 2.127 411 L HA -0.294 4.039 4.340 -0.013 0.000 0.211 411 L C 2.010 178.796 176.870 -0.140 0.000 1.089 411 L CA 1.824 56.583 54.840 -0.136 0.000 0.757 411 L CB -0.912 41.146 42.059 -0.001 0.000 0.899 411 L HN 0.323 nan 8.230 nan 0.000 0.434 412 N N -0.552 118.093 118.700 -0.091 0.000 2.270 412 N HA -0.151 4.582 4.740 -0.013 0.000 0.181 412 N C 1.929 177.384 175.510 -0.093 0.000 1.016 412 N CA 0.478 53.482 53.050 -0.078 0.000 0.870 412 N CB 0.064 38.516 38.487 -0.059 0.000 0.979 412 N HN 0.237 nan 8.380 nan 0.000 0.431 413 R N 0.589 121.016 120.500 -0.122 0.000 2.066 413 R HA -0.046 4.286 4.340 -0.013 0.000 0.232 413 R C 2.123 178.329 176.300 -0.158 0.000 1.131 413 R CA 0.850 56.881 56.100 -0.115 0.000 0.955 413 R CB -0.216 30.029 30.300 -0.091 0.000 0.851 413 R HN 0.023 nan 8.270 nan 0.000 0.432 414 V N 0.750 120.510 119.914 -0.255 0.000 2.233 414 V HA -0.280 3.832 4.120 -0.013 0.000 0.247 414 V C 2.372 178.461 176.094 -0.009 0.000 1.050 414 V CA 2.063 64.283 62.300 -0.133 0.000 1.010 414 V CB -0.871 30.790 31.823 -0.270 0.000 0.637 414 V HN 0.486 nan 8.190 nan 0.000 0.444 415 A N 0.010 122.798 122.820 -0.054 0.000 1.948 415 A HA -0.208 4.104 4.320 -0.013 0.000 0.220 415 A C 2.356 179.916 177.584 -0.039 0.000 1.177 415 A CA 2.436 54.458 52.037 -0.025 0.000 0.636 415 A CB -0.807 18.169 19.000 -0.040 0.000 0.815 415 A HN 0.644 nan 8.150 nan 0.000 0.449 416 A N -0.913 121.864 122.820 -0.072 0.000 2.014 416 A HA 0.323 4.635 4.320 -0.013 0.000 0.218 416 A C 2.324 179.816 177.584 -0.152 0.000 1.163 416 A CA 1.710 53.694 52.037 -0.090 0.000 0.652 416 A CB -0.585 18.368 19.000 -0.078 0.000 0.808 416 A HN 0.988 nan 8.150 nan 0.000 0.449 417 A N -1.478 121.203 122.820 -0.233 0.000 1.984 417 A HA 0.419 4.732 4.320 -0.013 0.000 0.214 417 A C 0.433 177.574 177.584 -0.739 0.000 1.173 417 A CA 0.400 52.127 52.037 -0.518 0.000 0.673 417 A CB -0.071 18.516 19.000 -0.689 0.000 0.830 417 A HN 0.399 nan 8.150 nan 0.000 0.453 418 F N 0.387 120.289 119.950 -0.081 0.000 2.449 418 F HA 0.349 4.868 4.527 -0.013 0.000 0.329 418 F C -2.716 173.045 175.800 -0.065 0.000 1.245 418 F CA -2.931 55.026 58.000 -0.072 0.000 1.193 418 F CB 0.653 39.601 39.000 -0.086 0.000 1.425 418 F HN -0.058 nan 8.300 nan 0.000 0.544 419 P HA 0.142 nan 4.420 nan 0.000 0.258 419 P C 1.031 178.348 177.300 0.028 0.000 1.187 419 P CA 1.175 64.283 63.100 0.014 0.000 0.767 419 P CB 0.610 32.300 31.700 -0.016 0.000 0.770 420 G N 3.006 111.817 108.800 0.019 0.000 2.241 420 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.244 420 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.244 420 G C 0.324 175.232 174.900 0.014 0.000 0.998 420 G CA -0.121 44.986 45.100 0.012 0.000 0.621 420 G HN 0.565 nan 8.290 nan 0.000 0.519 421 D N 1.155 121.573 120.400 0.030 0.000 2.498 421 D HA 0.388 5.020 4.640 -0.013 0.000 0.229 421 D C 1.528 177.816 176.300 -0.019 0.000 1.188 421 D CA 0.462 54.464 54.000 0.002 0.000 1.028 421 D CB 0.710 41.508 40.800 -0.003 0.000 1.087 421 D HN 0.132 nan 8.370 nan 0.000 0.510 422 V N 2.942 122.846 119.914 -0.017 0.000 2.667 422 V HA -0.170 3.942 4.120 -0.013 0.000 0.252 422 V C 1.629 177.709 176.094 -0.024 0.000 1.065 422 V CA 1.644 63.933 62.300 -0.018 0.000 1.083 422 V CB 0.076 31.892 31.823 -0.012 0.000 0.692 422 V HN 0.386 nan 8.190 nan 0.000 0.468 423 D N -0.461 119.920 120.400 -0.032 0.000 2.194 423 D HA -0.140 4.492 4.640 -0.013 0.000 0.204 423 D C 2.299 178.568 176.300 -0.051 0.000 0.964 423 D CA 0.922 54.904 54.000 -0.030 0.000 0.846 423 D CB -0.128 40.655 40.800 -0.029 0.000 0.962 423 D HN 0.372 nan 8.370 nan 0.000 0.490 424 R N -0.305 120.139 120.500 -0.092 0.000 2.081 424 R HA -0.122 4.210 4.340 -0.013 0.000 0.235 424 R C 1.847 178.072 176.300 -0.125 0.000 1.131 424 R CA 0.844 56.850 56.100 -0.157 0.000 0.960 424 R CB -0.282 29.862 30.300 -0.261 0.000 0.856 424 R HN 0.147 nan 8.270 nan 0.000 0.436 425 L N 1.466 122.640 121.223 -0.081 0.000 1.989 425 L HA -0.207 4.125 4.340 -0.013 0.000 0.211 425 L C 2.581 179.450 176.870 -0.001 0.000 1.071 425 L CA 2.239 57.049 54.840 -0.049 0.000 0.749 425 L CB -0.823 41.218 42.059 -0.030 0.000 0.890 425 L HN 0.311 nan 8.230 nan 0.000 0.431 426 R N -1.122 119.385 120.500 0.012 0.000 2.115 426 R HA -0.090 4.242 4.340 -0.013 0.000 0.230 426 R C 2.203 178.555 176.300 0.087 0.000 1.111 426 R CA 1.172 57.302 56.100 0.050 0.000 0.976 426 R CB -0.651 29.672 30.300 0.038 0.000 0.870 426 R HN 0.185 nan 8.270 nan 0.000 0.445 427 R N 0.100 120.634 120.500 0.056 0.000 2.115 427 R HA 0.088 4.421 4.340 -0.013 0.000 0.230 427 R C 2.111 178.509 176.300 0.163 0.000 1.111 427 R CA 1.795 57.954 56.100 0.099 0.000 0.976 427 R CB -0.163 30.153 30.300 0.027 0.000 0.870 427 R HN 0.331 nan 8.270 nan 0.000 0.445 428 M N -0.064 119.558 119.600 0.038 0.000 2.514 428 M HA 0.019 4.492 4.480 -0.013 0.000 0.258 428 M C 0.901 177.394 176.300 0.322 0.000 1.119 428 M CA 0.084 55.377 55.300 -0.013 0.000 1.111 428 M CB 0.351 32.784 32.600 -0.279 0.000 1.390 428 M HN -0.076 nan 8.290 nan 0.000 0.475 429 S N 1.043 116.921 115.700 0.296 0.000 2.561 429 S HA -0.006 4.457 4.470 -0.013 0.000 0.294 429 S C 1.113 175.983 174.600 0.451 0.000 1.294 429 S CA -0.113 58.286 58.200 0.331 0.000 1.055 429 S CB 0.483 63.812 63.200 0.215 0.000 0.819 429 S HN 0.341 nan 8.310 nan 0.000 0.503 430 L N 4.093 125.533 121.223 0.363 0.000 2.395 430 L HA 0.117 4.449 4.340 -0.013 0.000 0.218 430 L C 0.165 177.150 176.870 0.191 0.000 1.130 430 L CA 0.292 55.303 54.840 0.285 0.000 0.826 430 L CB -0.315 41.858 42.059 0.189 0.000 0.941 430 L HN 0.393 nan 8.230 nan 0.000 0.451 431 V N 0.539 120.579 119.914 0.210 0.000 2.370 431 V HA 0.203 4.316 4.120 -0.013 0.000 0.283 431 V C -0.001 176.181 176.094 0.148 0.000 1.023 431 V CA -0.639 61.771 62.300 0.184 0.000 0.857 431 V CB 1.654 33.621 31.823 0.239 0.000 0.985 431 V HN 0.154 nan 8.190 nan 0.000 0.443 432 E N 3.176 123.443 120.200 0.111 0.000 2.109 432 E HA 0.397 4.740 4.350 -0.013 0.000 0.278 432 E C -0.678 175.973 176.600 0.085 0.000 0.954 432 E CA -0.525 55.928 56.400 0.089 0.000 0.779 432 E CB 1.853 31.586 29.700 0.054 0.000 1.093 432 E HN 0.612 nan 8.360 nan 0.000 0.401 433 E N 1.110 121.356 120.200 0.077 0.000 2.345 433 E HA 0.618 4.960 4.350 -0.013 0.000 0.259 433 E C 0.232 176.867 176.600 0.057 0.000 1.117 433 E CA 0.411 56.850 56.400 0.066 0.000 0.913 433 E CB 1.403 31.135 29.700 0.053 0.000 1.057 433 E HN 0.647 nan 8.360 nan 0.000 0.432 434 G N -0.071 108.761 108.800 0.053 0.000 2.302 434 G HA2 0.231 4.183 3.960 -0.013 0.000 0.264 434 G HA3 0.231 4.183 3.960 -0.013 0.000 0.264 434 G C 0.547 175.476 174.900 0.049 0.000 1.335 434 G CA 0.301 45.428 45.100 0.046 0.000 0.982 434 G HN 0.661 nan 8.290 nan 0.000 0.473 435 A N -0.852 121.996 122.820 0.046 0.000 1.879 435 A HA 0.212 4.524 4.320 -0.013 0.000 0.222 435 A C 1.859 179.479 177.584 0.060 0.000 1.368 435 A CA 4.755 56.819 52.037 0.046 0.000 0.707 435 A CB -1.324 17.703 19.000 0.045 0.000 0.846 435 A HN 2.454 nan 8.150 nan 0.000 0.468 436 V N -3.116 116.846 119.914 0.081 0.000 2.769 436 V HA 0.597 4.710 4.120 -0.013 0.000 0.312 436 V C -0.545 175.620 176.094 0.118 0.000 1.061 436 V CA -1.358 61.012 62.300 0.116 0.000 0.931 436 V CB 1.754 33.677 31.823 0.168 0.000 1.010 436 V HN 0.421 nan 8.190 nan 0.000 0.433 437 K N 3.867 124.348 120.400 0.135 0.000 2.295 437 K HA 0.543 4.856 4.320 -0.013 0.000 0.270 437 K C -0.453 176.224 176.600 0.129 0.000 1.011 437 K CA -0.331 56.033 56.287 0.128 0.000 0.953 437 K CB 1.028 33.616 32.500 0.148 0.000 0.956 437 K HN 0.734 nan 8.250 nan 0.000 0.477 438 R N 1.056 121.619 120.500 0.106 0.000 2.855 438 R HA 0.508 4.840 4.340 -0.013 0.000 0.266 438 R C -0.716 175.630 176.300 0.077 0.000 1.034 438 R CA -1.038 55.115 56.100 0.088 0.000 0.944 438 R CB 1.303 31.637 30.300 0.055 0.000 1.219 438 R HN 0.376 nan 8.270 nan 0.000 0.474 439 I N 1.858 122.468 120.570 0.066 0.000 2.362 439 I HA 0.174 4.336 4.170 -0.013 0.000 0.289 439 I C -0.393 175.712 176.117 -0.019 0.000 0.994 439 I CA -0.769 60.556 61.300 0.042 0.000 1.158 439 I CB 1.397 39.422 38.000 0.041 0.000 1.315 439 I HN 0.497 nan 8.210 nan 0.000 0.451 440 N N 7.111 125.767 118.700 -0.073 0.000 2.439 440 N HA 0.084 4.816 4.740 -0.013 0.000 0.243 440 N C 0.898 176.303 175.510 -0.175 0.000 1.088 440 N CA -0.350 52.573 53.050 -0.211 0.000 0.940 440 N CB 0.892 39.111 38.487 -0.448 0.000 1.180 440 N HN 0.371 nan 8.380 nan 0.000 0.505 441 M N 2.446 121.950 119.600 -0.160 0.000 2.149 441 M HA -0.119 4.354 4.480 -0.013 0.000 0.261 441 M C 1.973 178.130 176.300 -0.237 0.000 1.064 441 M CA 0.985 56.204 55.300 -0.134 0.000 1.102 441 M CB -1.668 30.888 32.600 -0.074 0.000 1.369 441 M HN 0.614 nan 8.290 nan 0.000 0.408 442 A N -0.824 121.846 122.820 -0.251 0.000 1.933 442 A HA -0.178 4.134 4.320 -0.013 0.000 0.218 442 A C 2.015 179.379 177.584 -0.368 0.000 1.175 442 A CA 1.523 53.370 52.037 -0.317 0.000 0.628 442 A CB -1.123 17.873 19.000 -0.006 0.000 0.814 442 A HN 0.624 nan 8.150 nan 0.000 0.444 443 H N -1.110 117.741 119.070 -0.364 0.000 2.389 443 H HA -0.023 4.526 4.556 -0.013 0.000 0.299 443 H C 2.124 177.226 175.328 -0.376 0.000 1.081 443 H CA 0.914 56.703 56.048 -0.432 0.000 1.345 443 H CB -0.043 29.666 29.762 -0.088 0.000 1.393 443 H HN 0.375 nan 8.280 nan 0.000 0.520 444 L N 0.375 121.518 121.223 -0.134 0.000 2.012 444 L HA -0.243 4.089 4.340 -0.013 0.000 0.210 444 L C 2.330 179.075 176.870 -0.209 0.000 1.073 444 L CA 1.380 56.144 54.840 -0.127 0.000 0.748 444 L CB -0.420 41.587 42.059 -0.087 0.000 0.891 444 L HN 0.449 nan 8.230 nan 0.000 0.431 445 C N 0.064 119.142 119.300 -0.370 0.000 2.413 445 C HA -0.192 4.260 4.460 -0.013 0.000 0.276 445 C C 2.664 177.423 174.990 -0.385 0.000 1.248 445 C CA 0.715 59.442 59.018 -0.486 0.000 1.742 445 C CB -0.805 26.276 27.740 -1.098 0.000 2.017 445 C HN 0.516 nan 8.230 nan 0.000 0.481 446 I N 1.397 121.694 120.570 -0.456 0.000 2.226 446 I HA -0.203 3.960 4.170 -0.013 0.000 0.245 446 I C 2.727 178.697 176.117 -0.245 0.000 1.100 446 I CA 1.672 62.742 61.300 -0.384 0.000 1.374 446 I CB -0.533 37.102 38.000 -0.609 0.000 1.057 446 I HN 0.276 nan 8.210 nan 0.000 0.413 447 A N 0.509 123.161 122.820 -0.279 0.000 1.969 447 A HA -0.058 4.254 4.320 -0.013 0.000 0.218 447 A C 2.242 179.874 177.584 0.081 0.000 1.169 447 A CA 1.753 53.676 52.037 -0.190 0.000 0.635 447 A CB -1.059 17.652 19.000 -0.482 0.000 0.810 447 A HN 0.474 nan 8.150 nan 0.000 0.445 448 G N -1.121 107.669 108.800 -0.017 0.000 3.189 448 G HA2 0.400 4.352 3.960 -0.013 0.000 0.225 448 G HA3 0.400 4.352 3.960 -0.013 0.000 0.225 448 G C 0.216 174.955 174.900 -0.269 0.000 1.159 448 G CA 0.571 45.541 45.100 -0.216 0.000 0.763 448 G HN 0.388 nan 8.290 nan 0.000 0.549 449 S N -0.458 115.144 115.700 -0.163 0.000 2.607 449 S HA 0.366 4.828 4.470 -0.013 0.000 0.303 449 S C 0.506 175.071 174.600 -0.059 0.000 1.086 449 S CA -0.717 57.417 58.200 -0.110 0.000 0.995 449 S CB 1.258 64.398 63.200 -0.100 0.000 1.084 449 S HN 0.486 nan 8.310 nan 0.000 0.507 450 H N -0.732 118.304 119.070 -0.056 0.000 2.551 450 H HA 0.612 5.160 4.556 -0.013 0.000 0.271 450 H C -0.167 175.156 175.328 -0.008 0.000 0.984 450 H CA -0.020 56.023 56.048 -0.009 0.000 1.164 450 H CB 0.092 29.861 29.762 0.011 0.000 1.437 450 H HN 0.565 nan 8.280 nan 0.000 0.550 451 A N 0.823 123.408 122.820 -0.391 0.000 2.532 451 A HA 0.505 4.818 4.320 -0.013 0.000 0.296 451 A C -1.636 175.758 177.584 -0.317 0.000 1.058 451 A CA -0.531 51.295 52.037 -0.351 0.000 0.729 451 A CB 1.634 20.381 19.000 -0.422 0.000 1.285 451 A HN 0.091 nan 8.150 nan 0.000 0.396 452 V N 4.254 123.939 119.914 -0.381 0.000 2.588 452 V HA 0.630 4.743 4.120 -0.013 0.000 0.304 452 V C -0.554 175.350 176.094 -0.316 0.000 1.042 452 V CA -0.706 61.353 62.300 -0.402 0.000 0.877 452 V CB 1.854 33.285 31.823 -0.654 0.000 0.996 452 V HN 1.029 nan 8.190 nan 0.000 0.425 453 N N 2.870 121.400 118.700 -0.284 0.000 2.321 453 N HA 0.621 5.354 4.740 -0.013 0.000 0.290 453 N C -0.345 175.064 175.510 -0.170 0.000 1.212 453 N CA -0.381 52.551 53.050 -0.197 0.000 0.767 453 N CB 2.831 41.185 38.487 -0.222 0.000 1.494 453 N HN 0.655 nan 8.380 nan 0.000 0.479 454 G N -0.922 107.819 108.800 -0.100 0.000 2.511 454 G HA2 0.442 4.395 3.960 -0.013 0.000 0.316 454 G HA3 0.442 4.395 3.960 -0.013 0.000 0.316 454 G C 0.732 175.696 174.900 0.107 0.000 1.210 454 G CA -0.514 44.591 45.100 0.008 0.000 0.969 454 G HN 0.604 nan 8.290 nan 0.000 0.492 455 V N -3.566 116.517 119.914 0.283 0.000 3.483 455 V HA 0.683 4.796 4.120 -0.013 0.000 0.301 455 V C 0.606 176.781 176.094 0.135 0.000 1.389 455 V CA 0.378 62.764 62.300 0.144 0.000 1.101 455 V CB -0.823 31.050 31.823 0.083 0.000 0.971 455 V HN 1.310 nan 8.190 nan 0.000 0.434 456 A N -0.185 122.725 122.820 0.150 0.000 2.605 456 A HA 0.633 4.946 4.320 -0.013 0.000 0.294 456 A C 0.677 178.309 177.584 0.081 0.000 1.062 456 A CA -0.156 51.947 52.037 0.109 0.000 0.682 456 A CB 1.184 20.240 19.000 0.093 0.000 1.278 456 A HN 0.001 nan 8.150 nan 0.000 0.410 457 R N 0.691 121.218 120.500 0.044 0.000 2.094 457 R HA -0.174 4.159 4.340 -0.013 0.000 0.239 457 R C 1.813 178.108 176.300 -0.009 0.000 1.137 457 R CA 2.327 58.430 56.100 0.005 0.000 0.943 457 R CB -0.264 30.035 30.300 -0.003 0.000 0.850 457 R HN 0.838 nan 8.270 nan 0.000 0.433 458 I N 0.120 120.694 120.570 0.007 0.000 2.226 458 I HA -0.306 3.857 4.170 -0.013 0.000 0.245 458 I C 2.381 178.499 176.117 0.003 0.000 1.100 458 I CA 2.065 63.361 61.300 -0.007 0.000 1.374 458 I CB -0.328 37.670 38.000 -0.004 0.000 1.057 458 I HN 0.336 nan 8.210 nan 0.000 0.413 459 H N 0.673 119.713 119.070 -0.049 0.000 2.319 459 H HA -0.164 4.384 4.556 -0.013 0.000 0.299 459 H C 2.241 177.533 175.328 -0.061 0.000 1.092 459 H CA 2.342 58.357 56.048 -0.056 0.000 1.302 459 H CB -0.444 29.293 29.762 -0.043 0.000 1.373 459 H HN 0.320 nan 8.280 nan 0.000 0.497 460 S N 0.264 115.820 115.700 -0.240 0.000 2.382 460 S HA -0.138 4.324 4.470 -0.013 0.000 0.228 460 S C 1.936 176.399 174.600 -0.229 0.000 1.027 460 S CA 1.289 59.328 58.200 -0.268 0.000 0.991 460 S CB -0.107 63.019 63.200 -0.124 0.000 0.823 460 S HN 0.493 nan 8.310 nan 0.000 0.469 461 E N 1.008 121.102 120.200 -0.176 0.000 2.106 461 E HA 0.002 4.345 4.350 -0.013 0.000 0.192 461 E C 1.990 178.468 176.600 -0.204 0.000 0.984 461 E CA 0.607 56.896 56.400 -0.185 0.000 0.806 461 E CB -0.368 29.257 29.700 -0.126 0.000 0.750 461 E HN 0.499 nan 8.360 nan 0.000 0.458 462 I N 0.845 121.306 120.570 -0.180 0.000 2.361 462 I HA -0.257 3.905 4.170 -0.013 0.000 0.251 462 I C 2.291 178.273 176.117 -0.225 0.000 1.133 462 I CA 0.645 61.845 61.300 -0.168 0.000 1.413 462 I CB -0.072 37.862 38.000 -0.110 0.000 1.073 462 I HN 0.061 nan 8.210 nan 0.000 0.424 463 L N 0.090 121.142 121.223 -0.285 0.000 2.056 463 L HA -0.214 4.118 4.340 -0.013 0.000 0.207 463 L C 2.499 179.239 176.870 -0.216 0.000 1.078 463 L CA 1.477 56.158 54.840 -0.264 0.000 0.749 463 L CB -0.542 41.442 42.059 -0.124 0.000 0.901 463 L HN 0.168 nan 8.230 nan 0.000 0.433 464 K N 0.023 120.224 120.400 -0.331 0.000 2.097 464 K HA -0.150 4.163 4.320 -0.013 0.000 0.205 464 K C 2.129 178.521 176.600 -0.346 0.000 1.050 464 K CA 1.141 57.089 56.287 -0.567 0.000 0.938 464 K CB 0.040 31.983 32.500 -0.928 0.000 0.718 464 K HN 0.238 nan 8.250 nan 0.000 0.442 465 K N -0.307 119.946 120.400 -0.246 0.000 2.137 465 K HA -0.000 4.312 4.320 -0.013 0.000 0.202 465 K C 1.489 178.028 176.600 -0.102 0.000 1.052 465 K CA 1.069 57.269 56.287 -0.145 0.000 0.961 465 K CB 0.367 32.792 32.500 -0.124 0.000 0.741 465 K HN 0.083 nan 8.250 nan 0.000 0.452 466 T N 0.533 115.012 114.554 -0.124 0.000 3.166 466 T HA 0.055 4.398 4.350 -0.013 0.000 0.182 466 T C 1.563 176.201 174.700 -0.103 0.000 0.810 466 T CA -0.323 61.716 62.100 -0.101 0.000 1.441 466 T CB -0.453 68.348 68.868 -0.111 0.000 2.201 466 T HN -0.066 nan 8.240 nan 0.000 0.414 467 I N 1.022 121.468 120.570 -0.206 0.000 2.121 467 I HA -0.204 3.958 4.170 -0.013 0.000 0.243 467 I C 0.667 176.689 176.117 -0.158 0.000 1.047 467 I CA 1.889 62.996 61.300 -0.320 0.000 1.308 467 I CB -0.146 37.440 38.000 -0.691 0.000 1.015 467 I HN 0.286 nan 8.210 nan 0.000 0.410 468 F N 0.427 120.449 119.950 0.119 0.000 2.850 468 F HA 0.280 4.800 4.527 -0.013 0.000 0.306 468 F C 1.665 177.561 175.800 0.160 0.000 1.162 468 F CA -0.595 57.557 58.000 0.253 0.000 1.327 468 F CB -0.983 38.193 39.000 0.293 0.000 0.953 468 F HN -0.045 nan 8.300 nan 0.000 0.507 469 K N 0.753 121.263 120.400 0.183 0.000 2.020 469 K HA -0.215 4.097 4.320 -0.013 0.000 0.212 469 K C 1.307 177.956 176.600 0.081 0.000 1.050 469 K CA 2.187 58.524 56.287 0.083 0.000 0.929 469 K CB -0.012 32.503 32.500 0.024 0.000 0.714 469 K HN 0.140 nan 8.250 nan 0.000 0.443 470 D N -0.169 120.242 120.400 0.018 0.000 2.149 470 D HA -0.172 4.461 4.640 -0.013 0.000 0.198 470 D C 1.824 178.013 176.300 -0.185 0.000 0.990 470 D CA 1.242 55.123 54.000 -0.199 0.000 0.839 470 D CB -0.319 40.260 40.800 -0.367 0.000 0.948 470 D HN 0.228 nan 8.370 nan 0.000 0.460 471 F N -0.276 119.753 119.950 0.131 0.000 2.186 471 F HA -0.136 4.383 4.527 -0.013 0.000 0.299 471 F C 2.307 178.261 175.800 0.256 0.000 1.090 471 F CA 0.483 58.643 58.000 0.268 0.000 1.307 471 F CB -0.625 38.610 39.000 0.392 0.000 1.019 471 F HN -0.031 nan 8.300 nan 0.000 0.489 472 Y N 1.334 121.610 120.300 -0.041 0.000 2.242 472 Y HA -0.169 4.374 4.550 -0.013 0.000 0.291 472 Y C 2.081 177.957 175.900 -0.040 0.000 1.137 472 Y CA 1.525 59.404 58.100 -0.368 0.000 1.181 472 Y CB -0.613 37.459 38.460 -0.646 0.000 0.989 472 Y HN 0.139 nan 8.280 nan 0.000 0.527 473 E N -0.170 119.961 120.200 -0.116 0.000 2.150 473 E HA -0.180 4.163 4.350 -0.013 0.000 0.193 473 E C 2.236 178.887 176.600 0.084 0.000 0.985 473 E CA 0.938 57.284 56.400 -0.090 0.000 0.814 473 E CB -0.179 29.518 29.700 -0.004 0.000 0.752 473 E HN 0.435 nan 8.360 nan 0.000 0.466 474 L N 0.850 122.172 121.223 0.166 0.000 2.044 474 L HA -0.066 4.266 4.340 -0.013 0.000 0.205 474 L C 0.134 177.094 176.870 0.151 0.000 1.075 474 L CA 1.459 56.439 54.840 0.233 0.000 0.747 474 L CB 0.131 42.337 42.059 0.245 0.000 0.903 474 L HN 0.062 nan 8.230 nan 0.000 0.435 475 E N 0.241 120.528 120.200 0.145 0.000 2.914 475 E HA 0.180 4.522 4.350 -0.013 0.000 0.246 475 E C -2.008 174.557 176.600 -0.058 0.000 1.146 475 E CA -1.471 54.925 56.400 -0.008 0.000 0.803 475 E CB 1.031 30.701 29.700 -0.050 0.000 1.409 475 E HN 0.194 nan 8.360 nan 0.000 0.392 476 P HA -0.229 nan 4.420 nan 0.000 0.220 476 P C 1.136 178.549 177.300 0.189 0.000 1.148 476 P CA 1.286 64.324 63.100 -0.103 0.000 0.803 476 P CB -0.060 31.429 31.700 -0.351 0.000 0.782 477 H N -0.007 119.181 119.070 0.197 0.000 2.491 477 H HA 0.105 4.653 4.556 -0.013 0.000 0.290 477 H C 1.495 176.924 175.328 0.168 0.000 1.050 477 H CA 0.679 56.828 56.048 0.167 0.000 1.309 477 H CB -0.520 29.309 29.762 0.111 0.000 1.392 477 H HN 0.135 nan 8.280 nan 0.000 0.554 478 K N 0.378 120.691 120.400 -0.145 0.000 2.103 478 K HA 0.017 4.329 4.320 -0.013 0.000 0.204 478 K C -0.090 176.390 176.600 -0.201 0.000 1.052 478 K CA 0.367 56.554 56.287 -0.167 0.000 0.945 478 K CB 0.039 32.312 32.500 -0.379 0.000 0.722 478 K HN 0.075 nan 8.250 nan 0.000 0.443 479 F N 1.959 121.942 119.950 0.054 0.000 2.467 479 F HA 0.127 4.646 4.527 -0.013 0.000 0.362 479 F C 0.602 176.404 175.800 0.004 0.000 1.090 479 F CA 0.102 58.128 58.000 0.044 0.000 1.202 479 F CB 0.647 39.712 39.000 0.110 0.000 1.113 479 F HN -0.025 nan 8.300 nan 0.000 0.541 480 Q N 1.652 121.484 119.800 0.054 0.000 2.857 480 Q HA 0.427 4.759 4.340 -0.013 0.000 0.319 480 Q C -1.217 174.742 176.000 -0.068 0.000 0.963 480 Q CA -1.335 54.455 55.803 -0.023 0.000 0.770 480 Q CB 3.000 31.676 28.738 -0.103 0.000 1.492 480 Q HN 0.651 nan 8.270 nan 0.000 0.493 481 N N 0.193 118.828 118.700 -0.109 0.000 2.242 481 N HA 0.287 5.019 4.740 -0.013 0.000 0.292 481 N C -1.681 173.721 175.510 -0.181 0.000 1.125 481 N CA -0.422 52.559 53.050 -0.114 0.000 0.783 481 N CB 1.537 39.982 38.487 -0.070 0.000 1.558 481 N HN 0.306 nan 8.380 nan 0.000 0.472 482 K N 2.499 122.795 120.400 -0.174 0.000 2.764 482 K HA 0.183 4.495 4.320 -0.013 0.000 0.239 482 K C -1.036 175.555 176.600 -0.015 0.000 1.048 482 K CA -0.458 55.688 56.287 -0.234 0.000 1.057 482 K CB 1.130 33.231 32.500 -0.665 0.000 1.251 482 K HN 0.570 nan 8.250 nan 0.000 0.524 483 T N 2.003 116.573 114.554 0.027 0.000 2.908 483 T HA 0.039 4.382 4.350 -0.013 0.000 0.301 483 T C 0.838 175.661 174.700 0.205 0.000 1.019 483 T CA 0.420 62.592 62.100 0.119 0.000 1.152 483 T CB 0.280 69.224 68.868 0.126 0.000 0.966 483 T HN 0.349 nan 8.240 nan 0.000 0.540 484 N N 0.574 119.416 118.700 0.237 0.000 2.231 484 N HA 0.407 5.139 4.740 -0.013 0.000 0.223 484 N C 0.508 176.199 175.510 0.302 0.000 1.329 484 N CA -0.171 53.050 53.050 0.285 0.000 0.889 484 N CB 0.366 38.961 38.487 0.180 0.000 1.125 484 N HN 0.767 nan 8.380 nan 0.000 0.447 485 G N -0.800 108.181 108.800 0.301 0.000 2.645 485 G HA2 0.600 4.553 3.960 -0.013 0.000 0.292 485 G HA3 0.600 4.553 3.960 -0.013 0.000 0.292 485 G C -1.458 173.571 174.900 0.215 0.000 1.415 485 G CA -0.744 44.525 45.100 0.281 0.000 0.785 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.634 118.053 120.570 0.195 0.000 3.042 486 I HA 0.792 4.954 4.170 -0.013 0.000 0.310 486 I C -0.243 176.032 176.117 0.264 0.000 1.117 486 I CA -1.050 60.361 61.300 0.185 0.000 1.003 486 I CB 2.376 40.380 38.000 0.006 0.000 1.228 486 I HN 0.496 nan 8.210 nan 0.000 0.443 487 T N 3.060 117.837 114.554 0.370 0.000 2.749 487 T HA 0.408 4.751 4.350 -0.013 0.000 0.295 487 T C -1.531 173.287 174.700 0.196 0.000 0.936 487 T CA -1.806 60.428 62.100 0.223 0.000 1.060 487 T CB 0.857 69.794 68.868 0.116 0.000 0.904 487 T HN 0.607 nan 8.240 nan 0.000 0.500 488 P HA 0.010 nan 4.420 nan 0.000 0.230 488 P C 1.135 178.406 177.300 -0.048 0.000 1.158 488 P CA 0.460 63.597 63.100 0.060 0.000 0.769 488 P CB 0.367 32.084 31.700 0.028 0.000 0.807 489 R N 0.305 120.730 120.500 -0.125 0.000 2.056 489 R HA 0.009 4.342 4.340 -0.013 0.000 0.227 489 R C 2.724 178.909 176.300 -0.192 0.000 1.149 489 R CA 1.554 57.535 56.100 -0.199 0.000 0.937 489 R CB -1.079 29.102 30.300 -0.197 0.000 0.835 489 R HN 0.048 nan 8.270 nan 0.000 0.430 490 R N -0.801 119.530 120.500 -0.281 0.000 2.073 490 R HA -0.097 4.235 4.340 -0.013 0.000 0.229 490 R C 1.082 177.058 176.300 -0.540 0.000 1.120 490 R CA 1.455 57.246 56.100 -0.514 0.000 0.967 490 R CB -0.178 29.631 30.300 -0.819 0.000 0.862 490 R HN 0.291 nan 8.270 nan 0.000 0.436 491 W N 0.164 121.418 121.300 -0.076 0.000 3.377 491 W HA 0.131 4.782 4.660 -0.014 0.000 0.277 491 W C 0.934 177.420 176.519 -0.055 0.000 1.311 491 W CA -0.676 56.624 57.345 -0.076 0.000 1.703 491 W CB 0.380 29.800 29.460 -0.066 0.000 1.095 491 W HN 0.247 nan 8.180 nan 0.000 0.715 492 L N -2.442 118.838 121.223 0.095 0.000 2.604 492 L HA 0.165 4.497 4.340 -0.013 0.000 0.150 492 L C 1.770 178.657 176.870 0.027 0.000 1.292 492 L CA 0.681 55.571 54.840 0.084 0.000 0.977 492 L CB -0.878 41.253 42.059 0.119 0.000 1.943 492 L HN -0.268 nan 8.230 nan 0.000 0.508 493 V N 1.356 121.264 119.914 -0.010 0.000 2.282 493 V HA -0.292 3.820 4.120 -0.013 0.000 0.249 493 V C 2.464 178.530 176.094 -0.047 0.000 1.057 493 V CA 2.575 64.856 62.300 -0.031 0.000 1.032 493 V CB -0.739 31.032 31.823 -0.087 0.000 0.645 493 V HN 0.526 nan 8.190 nan 0.000 0.447 494 L N 0.384 121.553 121.223 -0.091 0.000 2.023 494 L HA -0.172 4.161 4.340 -0.013 0.000 0.205 494 L C 2.505 179.315 176.870 -0.099 0.000 1.073 494 L CA 2.310 57.081 54.840 -0.115 0.000 0.745 494 L CB -0.250 41.691 42.059 -0.197 0.000 0.900 494 L HN 0.652 nan 8.230 nan 0.000 0.435 495 C N -1.859 117.380 119.300 -0.102 0.000 2.563 495 C HA 0.188 4.641 4.460 -0.013 0.000 0.268 495 C C 1.210 176.185 174.990 -0.024 0.000 1.365 495 C CA -0.306 58.671 59.018 -0.069 0.000 1.754 495 C CB -1.037 26.668 27.740 -0.057 0.000 1.932 495 C HN 0.568 nan 8.230 nan 0.000 0.536 496 N N 1.217 119.914 118.700 -0.006 0.000 2.733 496 N HA 0.288 5.020 4.740 -0.013 0.000 0.271 496 N C -1.775 173.746 175.510 0.019 0.000 1.720 496 N CA -1.607 51.449 53.050 0.011 0.000 0.803 496 N CB 0.783 39.285 38.487 0.024 0.000 1.208 496 N HN 0.257 nan 8.380 nan 0.000 0.498 497 P HA -0.035 nan 4.420 nan 0.000 0.218 497 P C 1.366 178.681 177.300 0.025 0.000 1.149 497 P CA 0.837 63.947 63.100 0.018 0.000 0.817 497 P CB 0.291 31.995 31.700 0.006 0.000 0.785 498 G N 0.661 109.471 108.800 0.017 0.000 2.421 498 G HA2 -0.238 3.715 3.960 -0.013 0.000 0.216 498 G HA3 -0.238 3.715 3.960 -0.013 0.000 0.216 498 G C 1.517 176.424 174.900 0.011 0.000 1.171 498 G CA 0.641 45.748 45.100 0.011 0.000 0.775 498 G HN 0.251 nan 8.290 nan 0.000 0.543 499 L N 1.264 122.495 121.223 0.013 0.000 2.056 499 L HA 0.262 4.594 4.340 -0.013 0.000 0.207 499 L C 3.056 179.954 176.870 0.047 0.000 1.078 499 L CA 2.043 56.889 54.840 0.009 0.000 0.749 499 L CB -0.716 41.349 42.059 0.011 0.000 0.901 499 L HN 0.222 nan 8.230 nan 0.000 0.433 500 A N -0.695 122.175 122.820 0.083 0.000 1.940 500 A HA -0.260 4.052 4.320 -0.013 0.000 0.219 500 A C 2.232 179.910 177.584 0.158 0.000 1.176 500 A CA 1.817 53.954 52.037 0.165 0.000 0.631 500 A CB -0.692 18.399 19.000 0.152 0.000 0.814 500 A HN 0.568 nan 8.150 nan 0.000 0.446 501 E N 0.849 121.104 120.200 0.091 0.000 2.047 501 E HA -0.170 4.172 4.350 -0.013 0.000 0.191 501 E C 1.849 178.492 176.600 0.071 0.000 0.987 501 E CA 1.663 58.108 56.400 0.075 0.000 0.799 501 E CB -0.545 29.181 29.700 0.043 0.000 0.752 501 E HN 0.740 nan 8.360 nan 0.000 0.449 502 I N -1.738 118.867 120.570 0.059 0.000 2.454 502 I HA -0.133 4.029 4.170 -0.013 0.000 0.254 502 I C 2.165 178.364 176.117 0.137 0.000 1.156 502 I CA 1.104 62.452 61.300 0.081 0.000 1.433 502 I CB -0.351 37.671 38.000 0.036 0.000 1.082 502 I HN 0.031 nan 8.210 nan 0.000 0.432 503 I N 1.993 122.619 120.570 0.093 0.000 2.233 503 I HA -0.175 3.988 4.170 -0.013 0.000 0.243 503 I C 3.013 179.093 176.117 -0.062 0.000 1.093 503 I CA 1.334 62.626 61.300 -0.014 0.000 1.380 503 I CB -0.404 37.471 38.000 -0.208 0.000 1.067 503 I HN 0.282 nan 8.210 nan 0.000 0.413 504 A N 0.205 123.077 122.820 0.086 0.000 1.972 504 A HA -0.239 4.073 4.320 -0.013 0.000 0.219 504 A C 2.163 179.779 177.584 0.054 0.000 1.169 504 A CA 1.657 53.791 52.037 0.161 0.000 0.635 504 A CB -0.600 18.524 19.000 0.207 0.000 0.810 504 A HN 0.445 nan 8.150 nan 0.000 0.446 505 E N -0.758 119.456 120.200 0.024 0.000 2.153 505 E HA -0.184 4.159 4.350 -0.013 0.000 0.194 505 E C 2.241 178.803 176.600 -0.063 0.000 0.988 505 E CA 1.092 57.490 56.400 -0.003 0.000 0.811 505 E CB -0.012 29.695 29.700 0.011 0.000 0.746 505 E HN 0.533 nan 8.360 nan 0.000 0.466 506 R N 0.011 120.412 120.500 -0.165 0.000 2.103 506 R HA 0.087 4.420 4.340 -0.013 0.000 0.212 506 R C 2.317 178.507 176.300 -0.184 0.000 1.107 506 R CA 0.804 56.714 56.100 -0.317 0.000 1.025 506 R CB -0.241 29.521 30.300 -0.897 0.000 0.929 506 R HN 0.276 nan 8.270 nan 0.000 0.456 507 I N -2.390 118.091 120.570 -0.149 0.000 4.082 507 I HA 0.434 4.596 4.170 -0.013 0.000 0.337 507 I C 0.508 176.657 176.117 0.053 0.000 1.352 507 I CA 0.104 61.380 61.300 -0.040 0.000 1.097 507 I CB 0.805 38.763 38.000 -0.070 0.000 1.048 507 I HN 0.208 nan 8.210 nan 0.000 0.393 508 G N 1.951 110.796 108.800 0.075 0.000 2.627 508 G HA2 -0.212 3.740 3.960 -0.013 0.000 0.214 508 G HA3 -0.212 3.740 3.960 -0.013 0.000 0.214 508 G C -0.022 175.017 174.900 0.231 0.000 1.331 508 G CA 0.187 45.358 45.100 0.120 0.000 0.891 508 G HN 0.417 nan 8.290 nan 0.000 0.539 509 E N -0.448 119.838 120.200 0.143 0.000 2.473 509 E HA 0.091 4.433 4.350 -0.013 0.000 0.204 509 E C 1.785 178.348 176.600 -0.061 0.000 0.994 509 E CA -0.026 56.399 56.400 0.040 0.000 0.945 509 E CB 0.283 29.993 29.700 0.016 0.000 0.990 509 E HN 0.457 nan 8.360 nan 0.000 0.493 510 E N 0.621 120.851 120.200 0.051 0.000 2.455 510 E HA -0.173 4.169 4.350 -0.013 0.000 0.202 510 E C 1.399 178.013 176.600 0.023 0.000 1.045 510 E CA 0.729 57.150 56.400 0.035 0.000 0.872 510 E CB 0.044 29.782 29.700 0.064 0.000 0.792 510 E HN 0.515 nan 8.360 nan 0.000 0.542 511 Y N -1.536 118.770 120.300 0.010 0.000 2.516 511 Y HA 0.002 4.545 4.550 -0.011 0.000 0.291 511 Y C 1.825 177.704 175.900 -0.034 0.000 1.131 511 Y CA 0.206 58.304 58.100 -0.003 0.000 1.281 511 Y CB -0.317 38.144 38.460 0.002 0.000 1.013 511 Y HN -0.096 nan 8.280 nan 0.000 0.554 512 I N 1.228 121.356 120.570 -0.736 0.000 2.454 512 I HA -0.198 3.964 4.170 -0.013 0.000 0.254 512 I C 1.447 177.330 176.117 -0.390 0.000 1.156 512 I CA 1.720 62.632 61.300 -0.647 0.000 1.433 512 I CB -1.260 36.258 38.000 -0.804 0.000 1.082 512 I HN 0.521 nan 8.210 nan 0.000 0.432 513 S N -1.580 113.995 115.700 -0.208 0.000 2.749 513 S HA 0.220 4.682 4.470 -0.013 0.000 0.246 513 S C 0.196 174.788 174.600 -0.013 0.000 1.023 513 S CA -0.444 57.708 58.200 -0.081 0.000 1.012 513 S CB 0.427 63.649 63.200 0.036 0.000 0.942 513 S HN 0.285 nan 8.310 nan 0.000 0.531 514 D N 0.895 121.294 120.400 -0.001 0.000 3.118 514 D HA 0.224 4.856 4.640 -0.013 0.000 0.259 514 D C 0.655 177.006 176.300 0.085 0.000 1.292 514 D CA -0.325 53.698 54.000 0.040 0.000 0.784 514 D CB -0.097 40.731 40.800 0.047 0.000 1.413 514 D HN 0.120 nan 8.370 nan 0.000 0.583 515 L N 0.363 121.636 121.223 0.084 0.000 2.261 515 L HA -0.132 4.200 4.340 -0.013 0.000 0.216 515 L C 1.122 178.048 176.870 0.094 0.000 1.114 515 L CA 1.188 56.107 54.840 0.131 0.000 0.777 515 L CB 0.059 42.184 42.059 0.109 0.000 0.910 515 L HN 0.293 nan 8.230 nan 0.000 0.440 516 D N -0.237 120.195 120.400 0.053 0.000 2.182 516 D HA -0.221 4.411 4.640 -0.013 0.000 0.201 516 D C 2.028 178.350 176.300 0.037 0.000 0.986 516 D CA 0.955 54.970 54.000 0.026 0.000 0.847 516 D CB -0.017 40.788 40.800 0.007 0.000 0.942 516 D HN 0.468 nan 8.370 nan 0.000 0.467 517 Q N -0.255 119.584 119.800 0.065 0.000 2.515 517 Q HA -0.121 4.211 4.340 -0.013 0.000 0.215 517 Q C 1.693 177.709 176.000 0.028 0.000 0.983 517 Q CA 0.114 55.954 55.803 0.063 0.000 0.905 517 Q CB 0.049 28.853 28.738 0.110 0.000 0.961 517 Q HN 0.188 nan 8.270 nan 0.000 0.503 518 L N 0.482 121.715 121.223 0.018 0.000 2.362 518 L HA -0.140 4.193 4.340 -0.013 0.000 0.219 518 L C 2.017 178.881 176.870 -0.010 0.000 1.134 518 L CA 1.432 56.248 54.840 -0.040 0.000 0.807 518 L CB -0.385 41.667 42.059 -0.013 0.000 0.927 518 L HN 0.118 nan 8.230 nan 0.000 0.447 519 R N -0.482 120.023 120.500 0.009 0.000 2.127 519 R HA -0.164 4.168 4.340 -0.013 0.000 0.238 519 R C 1.928 178.236 176.300 0.014 0.000 1.134 519 R CA 1.007 57.115 56.100 0.013 0.000 0.975 519 R CB -0.177 30.127 30.300 0.007 0.000 0.865 519 R HN 0.393 nan 8.270 nan 0.000 0.447 520 K N 0.586 120.995 120.400 0.015 0.000 2.360 520 K HA -0.109 4.203 4.320 -0.013 0.000 0.201 520 K C 1.808 178.459 176.600 0.085 0.000 1.046 520 K CA 0.743 57.050 56.287 0.033 0.000 0.940 520 K CB -0.050 32.475 32.500 0.042 0.000 0.748 520 K HN 0.253 nan 8.250 nan 0.000 0.465 521 L N 0.511 121.766 121.223 0.054 0.000 2.395 521 L HA -0.111 4.222 4.340 -0.013 0.000 0.218 521 L C 1.884 178.824 176.870 0.117 0.000 1.130 521 L CA 0.038 54.925 54.840 0.079 0.000 0.826 521 L CB -0.167 41.898 42.059 0.009 0.000 0.941 521 L HN 0.144 nan 8.230 nan 0.000 0.451 522 L N 0.183 121.441 121.223 0.059 0.000 2.079 522 L HA -0.201 4.131 4.340 -0.013 0.000 0.210 522 L C 2.713 179.574 176.870 -0.015 0.000 1.081 522 L CA 2.064 56.923 54.840 0.032 0.000 0.752 522 L CB -0.935 41.129 42.059 0.008 0.000 0.896 522 L HN 0.342 nan 8.230 nan 0.000 0.433 523 S N -2.539 113.105 115.700 -0.093 0.000 2.660 523 S HA -0.097 4.366 4.470 -0.013 0.000 0.228 523 S C 1.149 175.469 174.600 -0.467 0.000 0.966 523 S CA 0.324 58.364 58.200 -0.266 0.000 0.940 523 S CB -0.564 62.425 63.200 -0.351 0.000 0.773 523 S HN 0.485 nan 8.310 nan 0.000 0.535 524 Y N -0.755 119.470 120.300 -0.125 0.000 2.557 524 Y HA 0.424 4.972 4.550 -0.004 0.000 0.247 524 Y C 1.844 177.757 175.900 0.022 0.000 1.164 524 Y CA -0.562 57.449 58.100 -0.148 0.000 1.218 524 Y CB 0.264 38.415 38.460 -0.515 0.000 1.210 524 Y HN 0.267 nan 8.280 nan 0.000 0.529 525 V N 0.433 120.424 119.914 0.127 0.000 2.867 525 V HA -0.210 3.902 4.120 -0.013 0.000 0.260 525 V C 0.861 177.018 176.094 0.106 0.000 1.099 525 V CA 2.241 64.623 62.300 0.137 0.000 1.122 525 V CB -0.034 31.834 31.823 0.075 0.000 0.708 525 V HN 0.370 nan 8.190 nan 0.000 0.490 526 D N -1.183 119.261 120.400 0.073 0.000 2.469 526 D HA 0.116 4.748 4.640 -0.013 0.000 0.213 526 D C 0.389 176.734 176.300 0.074 0.000 1.135 526 D CA -0.106 53.928 54.000 0.056 0.000 0.834 526 D CB 0.177 40.987 40.800 0.016 0.000 1.009 526 D HN 0.418 nan 8.370 nan 0.000 0.507 527 D N 1.645 122.118 120.400 0.120 0.000 2.401 527 D HA -0.056 4.576 4.640 -0.013 0.000 0.254 527 D C 1.217 177.619 176.300 0.169 0.000 1.192 527 D CA 0.184 54.277 54.000 0.155 0.000 0.885 527 D CB 1.581 42.538 40.800 0.262 0.000 1.147 527 D HN -0.217 nan 8.370 nan 0.000 0.478 528 E N 3.313 123.583 120.200 0.116 0.000 2.106 528 E HA -0.101 4.241 4.350 -0.013 0.000 0.192 528 E C 1.687 178.348 176.600 0.100 0.000 0.984 528 E CA 1.292 57.746 56.400 0.091 0.000 0.806 528 E CB -0.225 29.510 29.700 0.059 0.000 0.750 528 E HN 0.593 nan 8.360 nan 0.000 0.458 529 A N -0.163 122.731 122.820 0.123 0.000 1.873 529 A HA -0.141 4.171 4.320 -0.013 0.000 0.215 529 A C 2.188 179.863 177.584 0.152 0.000 1.186 529 A CA 1.235 53.342 52.037 0.116 0.000 0.616 529 A CB -0.898 18.172 19.000 0.117 0.000 0.823 529 A HN 0.340 nan 8.150 nan 0.000 0.442 530 F N 0.698 120.669 119.950 0.034 0.000 2.095 530 F HA -0.165 4.356 4.527 -0.010 0.000 0.298 530 F C 2.043 177.854 175.800 0.019 0.000 1.104 530 F CA 1.482 59.491 58.000 0.015 0.000 1.232 530 F CB -0.374 38.651 39.000 0.041 0.000 0.987 530 F HN 0.173 nan 8.300 nan 0.000 0.475 531 I N -0.259 120.365 120.570 0.091 0.000 2.208 531 I HA -0.347 3.815 4.170 -0.013 0.000 0.245 531 I C 2.622 178.701 176.117 -0.063 0.000 1.097 531 I CA 1.668 62.963 61.300 -0.008 0.000 1.363 531 I CB -0.467 37.568 38.000 0.058 0.000 1.051 531 I HN 0.075 nan 8.210 nan 0.000 0.413 532 R N 0.810 121.294 120.500 -0.027 0.000 2.092 532 R HA -0.176 4.156 4.340 -0.013 0.000 0.231 532 R C 1.839 178.096 176.300 -0.073 0.000 1.119 532 R CA 1.741 57.820 56.100 -0.034 0.000 0.970 532 R CB -0.070 30.227 30.300 -0.005 0.000 0.864 532 R HN 0.275 nan 8.270 nan 0.000 0.440 533 D N -0.383 119.951 120.400 -0.110 0.000 2.091 533 D HA -0.113 4.520 4.640 -0.013 0.000 0.199 533 D C 1.948 178.118 176.300 -0.217 0.000 0.980 533 D CA 1.278 55.191 54.000 -0.144 0.000 0.831 533 D CB -0.324 40.394 40.800 -0.137 0.000 0.987 533 D HN 0.038 nan 8.370 nan 0.000 0.460 534 V N 1.521 121.205 119.914 -0.384 0.000 2.324 534 V HA -0.285 3.827 4.120 -0.013 0.000 0.250 534 V C 2.462 178.462 176.094 -0.156 0.000 1.060 534 V CA 2.035 64.129 62.300 -0.344 0.000 1.042 534 V CB -0.796 30.761 31.823 -0.443 0.000 0.650 534 V HN 0.209 nan 8.190 nan 0.000 0.450 535 A N -0.914 121.836 122.820 -0.116 0.000 2.015 535 A HA -0.212 4.101 4.320 -0.013 0.000 0.219 535 A C 2.342 179.892 177.584 -0.057 0.000 1.163 535 A CA 1.890 53.894 52.037 -0.056 0.000 0.646 535 A CB -0.401 18.573 19.000 -0.044 0.000 0.806 535 A HN 0.538 nan 8.150 nan 0.000 0.448 536 K N 0.214 120.573 120.400 -0.068 0.000 2.025 536 K HA -0.108 4.204 4.320 -0.013 0.000 0.207 536 K C 1.994 178.569 176.600 -0.042 0.000 1.049 536 K CA 1.741 57.998 56.287 -0.050 0.000 0.933 536 K CB -0.363 32.109 32.500 -0.047 0.000 0.714 536 K HN 0.411 nan 8.250 nan 0.000 0.438 537 V N -0.001 119.882 119.914 -0.051 0.000 2.407 537 V HA -0.192 3.921 4.120 -0.013 0.000 0.248 537 V C 2.177 178.259 176.094 -0.020 0.000 1.055 537 V CA 2.109 64.389 62.300 -0.033 0.000 1.049 537 V CB -0.669 31.128 31.823 -0.042 0.000 0.662 537 V HN 0.219 nan 8.190 nan 0.000 0.455 538 K N 0.674 121.060 120.400 -0.023 0.000 2.148 538 K HA -0.160 4.152 4.320 -0.013 0.000 0.204 538 K C 2.203 178.786 176.600 -0.029 0.000 1.050 538 K CA 1.926 58.209 56.287 -0.007 0.000 0.942 538 K CB -0.487 32.024 32.500 0.018 0.000 0.724 538 K HN 0.564 nan 8.250 nan 0.000 0.446 539 Q N 0.825 120.601 119.800 -0.040 0.000 2.187 539 Q HA 0.002 4.335 4.340 -0.013 0.000 0.199 539 Q C 1.509 177.493 176.000 -0.028 0.000 0.957 539 Q CA 1.590 57.360 55.803 -0.055 0.000 0.857 539 Q CB 0.079 28.786 28.738 -0.052 0.000 0.929 539 Q HN 0.499 nan 8.270 nan 0.000 0.453 540 E N -0.547 119.647 120.200 -0.009 0.000 2.106 540 E HA -0.122 4.220 4.350 -0.013 0.000 0.192 540 E C 1.566 178.189 176.600 0.037 0.000 0.984 540 E CA 0.855 57.263 56.400 0.013 0.000 0.806 540 E CB 0.069 29.775 29.700 0.009 0.000 0.750 540 E HN 0.375 nan 8.360 nan 0.000 0.458 541 N N 0.952 119.673 118.700 0.035 0.000 2.084 541 N HA -0.136 4.596 4.740 -0.013 0.000 0.190 541 N C 1.471 177.058 175.510 0.128 0.000 1.030 541 N CA 1.085 54.175 53.050 0.068 0.000 0.849 541 N CB -0.100 38.413 38.487 0.043 0.000 1.012 541 N HN 0.089 nan 8.380 nan 0.000 0.423 542 K N 0.483 120.923 120.400 0.068 0.000 2.097 542 K HA -0.003 4.309 4.320 -0.013 0.000 0.206 542 K C 2.051 178.757 176.600 0.178 0.000 1.049 542 K CA 0.629 56.967 56.287 0.085 0.000 0.933 542 K CB -0.138 32.162 32.500 -0.333 0.000 0.717 542 K HN 0.123 nan 8.250 nan 0.000 0.442 543 L N 0.991 122.270 121.223 0.093 0.000 2.056 543 L HA -0.164 4.169 4.340 -0.013 0.000 0.207 543 L C 2.583 179.539 176.870 0.143 0.000 1.078 543 L CA 1.147 56.047 54.840 0.101 0.000 0.749 543 L CB -0.242 41.852 42.059 0.058 0.000 0.901 543 L HN 0.094 nan 8.230 nan 0.000 0.433 544 K N -0.459 120.034 120.400 0.156 0.000 2.097 544 K HA -0.193 4.119 4.320 -0.013 0.000 0.205 544 K C 2.155 178.904 176.600 0.249 0.000 1.050 544 K CA 1.469 57.859 56.287 0.172 0.000 0.938 544 K CB -0.171 32.419 32.500 0.149 0.000 0.718 544 K HN 0.123 nan 8.250 nan 0.000 0.442 545 F N 1.331 121.370 119.950 0.148 0.000 2.206 545 F HA -0.046 4.473 4.527 -0.013 0.000 0.298 545 F C 2.059 177.992 175.800 0.221 0.000 1.090 545 F CA 1.050 59.151 58.000 0.168 0.000 1.323 545 F CB -0.421 38.676 39.000 0.162 0.000 1.028 545 F HN -0.009 nan 8.300 nan 0.000 0.492 546 A N 0.138 123.070 122.820 0.187 0.000 1.972 546 A HA -0.034 4.279 4.320 -0.013 0.000 0.219 546 A C 2.378 179.964 177.584 0.003 0.000 1.169 546 A CA 1.710 53.786 52.037 0.064 0.000 0.635 546 A CB -1.383 17.716 19.000 0.164 0.000 0.810 546 A HN 0.454 nan 8.150 nan 0.000 0.446 547 A N -1.213 121.646 122.820 0.064 0.000 1.854 547 A HA -0.011 4.301 4.320 -0.013 0.000 0.214 547 A C 2.105 179.715 177.584 0.042 0.000 1.192 547 A CA 1.460 53.534 52.037 0.063 0.000 0.611 547 A CB -0.987 18.067 19.000 0.089 0.000 0.832 547 A HN 0.760 nan 8.150 nan 0.000 0.442 548 Y N 0.289 120.548 120.300 -0.068 0.000 2.139 548 Y HA -0.264 4.279 4.550 -0.013 0.000 0.282 548 Y C 1.907 177.739 175.900 -0.112 0.000 1.179 548 Y CA 1.917 59.973 58.100 -0.074 0.000 1.161 548 Y CB -0.458 37.975 38.460 -0.045 0.000 0.970 548 Y HN 0.193 nan 8.280 nan 0.000 0.511 549 L N 0.931 122.123 121.223 -0.052 0.000 2.013 549 L HA -0.244 4.088 4.340 -0.013 0.000 0.212 549 L C 2.404 179.234 176.870 -0.066 0.000 1.073 549 L CA 2.222 57.006 54.840 -0.094 0.000 0.753 549 L CB -1.102 40.812 42.059 -0.241 0.000 0.890 549 L HN 0.373 nan 8.230 nan 0.000 0.432 550 E N -1.661 118.505 120.200 -0.057 0.000 2.152 550 E HA -0.154 4.189 4.350 -0.013 0.000 0.192 550 E C 2.280 178.836 176.600 -0.072 0.000 0.983 550 E CA 0.364 56.752 56.400 -0.020 0.000 0.818 550 E CB 0.089 29.812 29.700 0.037 0.000 0.758 550 E HN 0.356 nan 8.360 nan 0.000 0.467 551 R N 0.714 121.137 120.500 -0.129 0.000 2.082 551 R HA -0.159 4.174 4.340 -0.013 0.000 0.228 551 R C 1.993 178.131 176.300 -0.270 0.000 1.140 551 R CA 1.673 57.670 56.100 -0.173 0.000 0.920 551 R CB -0.044 30.144 30.300 -0.187 0.000 0.828 551 R HN -0.018 nan 8.270 nan 0.000 0.430 552 E N -1.645 118.259 120.200 -0.494 0.000 2.299 552 E HA -0.069 4.273 4.350 -0.013 0.000 0.193 552 E C 0.785 176.945 176.600 -0.733 0.000 0.998 552 E CA 0.839 56.829 56.400 -0.683 0.000 0.851 552 E CB 0.385 29.451 29.700 -1.057 0.000 0.795 552 E HN 0.386 nan 8.360 nan 0.000 0.492 553 Y N -0.207 119.968 120.300 -0.207 0.000 2.452 553 Y HA 0.279 4.821 4.550 -0.013 0.000 0.262 553 Y C -0.334 175.534 175.900 -0.054 0.000 1.089 553 Y CA -0.445 57.598 58.100 -0.095 0.000 1.262 553 Y CB 0.814 39.236 38.460 -0.063 0.000 1.236 553 Y HN -0.344 nan 8.280 nan 0.000 0.512 554 K N 1.056 121.489 120.400 0.056 0.000 6.236 554 K HA -0.078 4.235 4.320 -0.013 0.000 0.607 554 K C -0.627 176.010 176.600 0.063 0.000 1.570 554 K CA 0.958 57.270 56.287 0.042 0.000 1.551 554 K CB -1.547 30.966 32.500 0.022 0.000 1.812 554 K HN 0.454 nan 8.250 nan 0.000 0.338 555 V N -2.527 117.428 119.914 0.070 0.000 5.829 555 V HA 0.006 4.118 4.120 -0.013 0.000 0.697 555 V C -0.135 176.032 176.094 0.122 0.000 1.997 555 V CA -0.051 62.302 62.300 0.088 0.000 3.668 555 V CB -1.097 30.774 31.823 0.079 0.000 0.116 555 V HN 0.983 nan 8.190 nan 0.000 0.567 556 H N 0.941 120.014 119.070 0.005 0.000 2.991 556 H HA -0.093 4.456 4.556 -0.013 0.000 0.255 556 H C -0.266 175.064 175.328 0.002 0.000 0.700 556 H CA 1.892 57.944 56.048 0.007 0.000 0.964 556 H CB 0.095 29.866 29.762 0.015 0.000 1.230 556 H HN 1.304 nan 8.280 nan 0.000 0.450 557 I N 0.107 120.303 120.570 -0.624 0.000 3.191 557 I HA 0.437 4.599 4.170 -0.013 0.000 0.313 557 I C -0.625 175.215 176.117 -0.462 0.000 1.193 557 I CA -1.298 59.787 61.300 -0.357 0.000 0.968 557 I CB 2.208 40.096 38.000 -0.186 0.000 1.262 557 I HN 0.615 nan 8.210 nan 0.000 0.456 558 N N 2.953 121.596 118.700 -0.095 0.000 2.469 558 N HA 0.509 5.241 4.740 -0.013 0.000 0.253 558 N C -2.233 173.349 175.510 0.120 0.000 0.970 558 N CA -2.551 50.506 53.050 0.012 0.000 0.940 558 N CB 1.594 40.119 38.487 0.062 0.000 1.128 558 N HN 0.329 nan 8.380 nan 0.000 0.503 559 P HA 0.027 nan 4.420 nan 0.000 0.231 559 P C -0.016 177.205 177.300 -0.132 0.000 1.158 559 P CA 1.007 64.094 63.100 -0.023 0.000 0.763 559 P CB 0.192 31.893 31.700 0.001 0.000 0.805 560 N N -1.127 117.553 118.700 -0.033 0.000 2.405 560 N HA -0.013 4.720 4.740 -0.013 0.000 0.175 560 N C 0.670 176.182 175.510 0.003 0.000 1.051 560 N CA -0.027 53.008 53.050 -0.025 0.000 0.899 560 N CB 0.017 38.513 38.487 0.016 0.000 1.000 560 N HN 0.138 nan 8.380 nan 0.000 0.451 561 S N 0.417 116.125 115.700 0.013 0.000 2.606 561 S HA 0.124 4.586 4.470 -0.013 0.000 0.257 561 S C 0.110 174.652 174.600 -0.096 0.000 1.327 561 S CA -0.765 57.440 58.200 0.009 0.000 0.984 561 S CB 0.787 64.018 63.200 0.053 0.000 0.941 561 S HN 0.171 nan 8.310 nan 0.000 0.576 562 L N 1.314 122.358 121.223 -0.298 0.000 2.367 562 L HA 0.370 4.702 4.340 -0.013 0.000 0.275 562 L C -1.032 175.802 176.870 -0.059 0.000 1.129 562 L CA -0.654 53.809 54.840 -0.628 0.000 0.839 562 L CB 0.050 41.472 42.059 -1.061 0.000 1.133 562 L HN 0.631 nan 8.230 nan 0.000 0.453 563 F N 3.480 123.284 119.950 -0.244 0.000 2.377 563 F HA 0.187 4.707 4.527 -0.012 0.000 0.360 563 F C 0.335 176.059 175.800 -0.126 0.000 1.147 563 F CA -1.077 56.851 58.000 -0.120 0.000 1.170 563 F CB 0.159 39.139 39.000 -0.034 0.000 1.339 563 F HN 0.390 nan 8.300 nan 0.000 0.552 564 D N 3.781 124.174 120.400 -0.011 0.000 2.411 564 D HA 0.272 4.904 4.640 -0.013 0.000 0.225 564 D C -0.864 175.369 176.300 -0.111 0.000 1.156 564 D CA 0.110 54.058 54.000 -0.086 0.000 0.874 564 D CB 0.960 41.697 40.800 -0.104 0.000 1.034 564 D HN 0.273 nan 8.370 nan 0.000 0.502 565 V N 2.632 122.468 119.914 -0.130 0.000 2.680 565 V HA 0.578 4.690 4.120 -0.013 0.000 0.309 565 V C -1.307 174.653 176.094 -0.223 0.000 1.052 565 V CA -0.702 61.508 62.300 -0.149 0.000 0.908 565 V CB 1.965 33.746 31.823 -0.069 0.000 1.001 565 V HN 0.490 nan 8.190 nan 0.000 0.431 566 Q N 4.305 123.983 119.800 -0.204 0.000 2.490 566 Q HA 0.628 4.960 4.340 -0.013 0.000 0.255 566 Q C -1.494 174.348 176.000 -0.264 0.000 0.997 566 Q CA -0.627 55.043 55.803 -0.221 0.000 0.709 566 Q CB 1.856 30.489 28.738 -0.175 0.000 1.255 566 Q HN 1.173 nan 8.270 nan 0.000 0.486 567 V N 2.197 121.937 119.914 -0.290 0.000 2.407 567 V HA 0.841 4.954 4.120 -0.013 0.000 0.291 567 V C -0.797 175.012 176.094 -0.474 0.000 1.018 567 V CA -0.509 61.425 62.300 -0.610 0.000 0.842 567 V CB 1.150 32.337 31.823 -1.060 0.000 0.996 567 V HN 0.761 nan 8.190 nan 0.000 0.426 568 K N 2.937 123.135 120.400 -0.337 0.000 2.809 568 K HA 0.458 4.770 4.320 -0.013 0.000 0.293 568 K C -1.222 175.390 176.600 0.021 0.000 1.061 568 K CA -1.048 55.212 56.287 -0.044 0.000 0.837 568 K CB 1.086 33.551 32.500 -0.058 0.000 1.524 568 K HN 0.451 nan 8.250 nan 0.000 0.370 569 R N 0.790 121.355 120.500 0.109 0.000 2.698 569 R HA 0.183 4.515 4.340 -0.013 0.000 0.266 569 R C 0.382 176.720 176.300 0.063 0.000 1.026 569 R CA -0.342 55.837 56.100 0.131 0.000 1.102 569 R CB -0.180 30.249 30.300 0.216 0.000 0.978 569 R HN 0.470 nan 8.270 nan 0.000 0.436 570 I N 4.327 124.910 120.570 0.021 0.000 2.452 570 I HA 0.097 4.259 4.170 -0.013 0.000 0.287 570 I C 0.857 176.875 176.117 -0.165 0.000 1.079 570 I CA 0.616 61.874 61.300 -0.069 0.000 1.387 570 I CB -0.215 37.734 38.000 -0.084 0.000 1.404 570 I HN 0.290 nan 8.210 nan 0.000 0.522 571 H N 4.221 123.194 119.070 -0.162 0.000 2.985 571 H HA 0.275 4.823 4.556 -0.013 0.000 0.360 571 H C 0.313 175.526 175.328 -0.193 0.000 1.221 571 H CA -0.478 55.504 56.048 -0.109 0.000 1.121 571 H CB 2.194 31.807 29.762 -0.248 0.000 1.854 571 H HN 0.512 nan 8.280 nan 0.000 0.551 572 E N 0.734 120.990 120.200 0.093 0.000 2.112 572 E HA -0.143 4.199 4.350 -0.013 0.000 0.190 572 E C 1.405 177.757 176.600 -0.413 0.000 0.979 572 E CA 0.875 57.251 56.400 -0.040 0.000 0.814 572 E CB 0.116 29.963 29.700 0.246 0.000 0.762 572 E HN 0.514 nan 8.360 nan 0.000 0.460 573 Y N 0.911 120.687 120.300 -0.873 0.000 2.439 573 Y HA 0.027 4.570 4.550 -0.013 0.000 0.292 573 Y C 1.524 177.180 175.900 -0.406 0.000 1.130 573 Y CA 0.660 58.120 58.100 -1.067 0.000 1.254 573 Y CB 0.060 37.907 38.460 -1.022 0.000 1.000 573 Y HN -0.219 nan 8.280 nan 0.000 0.554 574 K N 1.014 120.988 120.400 -0.711 0.000 2.366 574 K HA 0.032 4.344 4.320 -0.013 0.000 0.198 574 K C 0.186 176.625 176.600 -0.269 0.000 1.044 574 K CA 0.652 56.622 56.287 -0.529 0.000 0.973 574 K CB -0.129 32.066 32.500 -0.509 0.000 0.767 574 K HN 0.388 nan 8.250 nan 0.000 0.475 575 R N 0.863 121.232 120.500 -0.218 0.000 3.336 575 R HA -0.183 4.149 4.340 -0.013 0.000 0.260 575 R C 0.567 176.792 176.300 -0.126 0.000 1.032 575 R CA 0.202 56.221 56.100 -0.136 0.000 0.693 575 R CB -1.989 28.245 30.300 -0.111 0.000 1.134 575 R HN 0.211 nan 8.270 nan 0.000 0.433 576 Q N 0.179 119.906 119.800 -0.123 0.000 2.291 576 Q HA -0.016 4.316 4.340 -0.013 0.000 0.206 576 Q C 1.821 177.774 176.000 -0.078 0.000 0.976 576 Q CA 1.266 57.010 55.803 -0.099 0.000 0.875 576 Q CB 0.080 28.763 28.738 -0.091 0.000 0.927 576 Q HN 0.604 nan 8.270 nan 0.000 0.450 577 L N -0.612 120.567 121.223 -0.073 0.000 2.093 577 L HA -0.157 4.175 4.340 -0.013 0.000 0.208 577 L C 1.923 178.791 176.870 -0.004 0.000 1.085 577 L CA 0.527 55.338 54.840 -0.049 0.000 0.755 577 L CB -0.245 41.794 42.059 -0.033 0.000 0.904 577 L HN 0.319 nan 8.230 nan 0.000 0.435 578 L N -0.227 120.982 121.223 -0.024 0.000 2.141 578 L HA -0.202 4.131 4.340 -0.013 0.000 0.209 578 L C 1.934 178.822 176.870 0.030 0.000 1.094 578 L CA 1.804 56.634 54.840 -0.018 0.000 0.763 578 L CB -0.774 41.178 42.059 -0.179 0.000 0.908 578 L HN 0.265 nan 8.230 nan 0.000 0.437 579 N N -1.884 116.815 118.700 -0.001 0.000 2.188 579 N HA -0.205 4.527 4.740 -0.013 0.000 0.184 579 N C 1.908 177.498 175.510 0.134 0.000 1.018 579 N CA 1.254 54.383 53.050 0.131 0.000 0.858 579 N CB -0.093 38.415 38.487 0.035 0.000 0.989 579 N HN 0.472 nan 8.380 nan 0.000 0.426 580 C N 0.488 119.808 119.300 0.034 0.000 2.429 580 C HA -0.036 4.417 4.460 -0.013 0.000 0.277 580 C C 2.539 177.532 174.990 0.006 0.000 1.262 580 C CA 0.345 59.340 59.018 -0.038 0.000 1.733 580 C CB -1.161 26.506 27.740 -0.121 0.000 2.010 580 C HN 0.511 nan 8.230 nan 0.000 0.483 581 L N -0.199 121.088 121.223 0.107 0.000 2.042 581 L HA -0.209 4.123 4.340 -0.013 0.000 0.210 581 L C 2.751 179.781 176.870 0.267 0.000 1.076 581 L CA 1.918 56.874 54.840 0.193 0.000 0.749 581 L CB -1.155 41.094 42.059 0.317 0.000 0.893 581 L HN 0.593 nan 8.230 nan 0.000 0.432 582 H N -0.016 119.178 119.070 0.207 0.000 2.353 582 H HA -0.129 4.419 4.556 -0.013 0.000 0.300 582 H C 2.233 177.568 175.328 0.011 0.000 1.090 582 H CA 1.828 57.920 56.048 0.073 0.000 1.327 582 H CB 0.315 30.062 29.762 -0.026 0.000 1.383 582 H HN 0.097 nan 8.280 nan 0.000 0.508 583 V N 1.468 121.309 119.914 -0.121 0.000 2.343 583 V HA -0.258 3.855 4.120 -0.013 0.000 0.247 583 V C 2.836 178.866 176.094 -0.107 0.000 1.051 583 V CA 1.798 63.987 62.300 -0.186 0.000 1.036 583 V CB -0.484 31.283 31.823 -0.093 0.000 0.654 583 V HN 0.383 nan 8.190 nan 0.000 0.451 584 I N -0.325 120.223 120.570 -0.037 0.000 2.315 584 I HA -0.216 3.947 4.170 -0.013 0.000 0.248 584 I C 2.481 178.668 176.117 0.117 0.000 1.117 584 I CA 1.639 62.989 61.300 0.084 0.000 1.404 584 I CB -0.536 37.500 38.000 0.060 0.000 1.071 584 I HN 0.326 nan 8.210 nan 0.000 0.419 585 T N 1.091 115.663 114.554 0.030 0.000 2.708 585 T HA -0.148 4.194 4.350 -0.013 0.000 0.266 585 T C 1.868 176.526 174.700 -0.069 0.000 1.037 585 T CA 1.150 63.257 62.100 0.012 0.000 1.146 585 T CB -0.233 68.662 68.868 0.045 0.000 0.865 585 T HN 0.069 nan 8.240 nan 0.000 0.435 586 L N 0.264 121.370 121.223 -0.196 0.000 2.012 586 L HA -0.063 4.269 4.340 -0.013 0.000 0.210 586 L C 2.127 178.961 176.870 -0.060 0.000 1.073 586 L CA 1.621 56.348 54.840 -0.189 0.000 0.748 586 L CB -1.172 40.711 42.059 -0.293 0.000 0.891 586 L HN 0.326 nan 8.230 nan 0.000 0.431 587 Y N 0.597 120.836 120.300 -0.101 0.000 2.097 587 Y HA -0.304 4.238 4.550 -0.013 0.000 0.282 587 Y C 2.485 178.365 175.900 -0.033 0.000 1.152 587 Y CA 2.014 60.094 58.100 -0.034 0.000 1.136 587 Y CB -0.361 38.130 38.460 0.051 0.000 0.975 587 Y HN 0.293 nan 8.280 nan 0.000 0.498 588 N N 0.268 118.935 118.700 -0.056 0.000 2.166 588 N HA -0.137 4.595 4.740 -0.013 0.000 0.186 588 N C 1.905 177.307 175.510 -0.180 0.000 1.019 588 N CA 1.481 54.432 53.050 -0.165 0.000 0.856 588 N CB -0.335 38.122 38.487 -0.050 0.000 0.993 588 N HN 0.444 nan 8.380 nan 0.000 0.426 589 R N 0.322 120.743 120.500 -0.132 0.000 2.075 589 R HA 0.080 4.413 4.340 -0.013 0.000 0.232 589 R C 2.230 178.444 176.300 -0.144 0.000 1.126 589 R CA 0.758 56.787 56.100 -0.118 0.000 0.963 589 R CB -0.300 29.943 30.300 -0.096 0.000 0.858 589 R HN 0.215 nan 8.270 nan 0.000 0.435 590 I N 1.100 121.565 120.570 -0.175 0.000 2.208 590 I HA -0.287 3.875 4.170 -0.013 0.000 0.245 590 I C 2.034 178.030 176.117 -0.202 0.000 1.097 590 I CA 1.270 62.464 61.300 -0.176 0.000 1.363 590 I CB -0.125 37.769 38.000 -0.176 0.000 1.051 590 I HN 0.030 nan 8.210 nan 0.000 0.413 591 K N 0.611 120.828 120.400 -0.305 0.000 2.283 591 K HA -0.176 4.136 4.320 -0.013 0.000 0.202 591 K C 1.963 178.459 176.600 -0.174 0.000 1.048 591 K CA 0.933 57.051 56.287 -0.281 0.000 0.948 591 K CB -0.201 32.049 32.500 -0.417 0.000 0.742 591 K HN 0.167 nan 8.250 nan 0.000 0.458 592 K N 1.854 122.161 120.400 -0.154 0.000 2.067 592 K HA -0.052 4.260 4.320 -0.013 0.000 0.203 592 K C 0.140 176.691 176.600 -0.081 0.000 1.048 592 K CA 1.197 57.420 56.287 -0.107 0.000 0.954 592 K CB 0.359 32.801 32.500 -0.097 0.000 0.737 592 K HN 0.056 nan 8.250 nan 0.000 0.444 593 E N 0.806 120.958 120.200 -0.080 0.000 3.037 593 E HA 0.181 4.523 4.350 -0.013 0.000 0.220 593 E C -2.328 174.237 176.600 -0.059 0.000 1.142 593 E CA -1.774 54.592 56.400 -0.057 0.000 0.888 593 E CB 1.516 31.189 29.700 -0.044 0.000 1.329 593 E HN 0.096 nan 8.360 nan 0.000 0.409 594 P HA -0.183 nan 4.420 nan 0.000 0.215 594 P C 0.372 177.654 177.300 -0.031 0.000 1.157 594 P CA 1.318 64.385 63.100 -0.054 0.000 0.874 594 P CB 0.133 31.805 31.700 -0.046 0.000 0.790 595 N N -0.961 117.730 118.700 -0.015 0.000 2.362 595 N HA 0.002 4.734 4.740 -0.013 0.000 0.211 595 N C 0.464 175.989 175.510 0.025 0.000 1.170 595 N CA 0.121 53.175 53.050 0.007 0.000 0.828 595 N CB -0.152 38.339 38.487 0.007 0.000 1.034 595 N HN 0.092 nan 8.380 nan 0.000 0.475 596 K N 0.992 121.400 120.400 0.015 0.000 2.138 596 K HA 0.172 4.484 4.320 -0.013 0.000 0.263 596 K C -1.021 175.619 176.600 0.066 0.000 0.965 596 K CA -0.639 55.673 56.287 0.042 0.000 0.868 596 K CB 0.754 33.260 32.500 0.010 0.000 1.083 596 K HN -0.047 nan 8.250 nan 0.000 0.443 597 F N 4.620 124.558 119.950 -0.021 0.000 2.443 597 F HA 0.239 4.758 4.527 -0.013 0.000 0.353 597 F C -0.412 175.375 175.800 -0.021 0.000 1.101 597 F CA -0.058 57.931 58.000 -0.019 0.000 1.226 597 F CB 0.680 39.671 39.000 -0.014 0.000 1.140 597 F HN 0.204 nan 8.300 nan 0.000 0.557 598 V N 3.909 123.244 119.914 -0.965 0.000 3.007 598 V HA 0.554 4.667 4.120 -0.013 0.000 0.311 598 V C -0.840 174.655 176.094 -0.999 0.000 1.120 598 V CA -1.226 60.667 62.300 -0.679 0.000 0.980 598 V CB 1.035 32.646 31.823 -0.353 0.000 1.033 598 V HN 0.557 nan 8.190 nan 0.000 0.429 599 V N 4.100 123.726 119.914 -0.480 0.000 2.529 599 V HA 0.244 4.357 4.120 -0.013 0.000 0.292 599 V C -1.857 174.081 176.094 -0.260 0.000 1.028 599 V CA -0.630 61.504 62.300 -0.277 0.000 1.074 599 V CB 0.630 32.414 31.823 -0.064 0.000 0.958 599 V HN 0.913 nan 8.190 nan 0.000 0.481 600 P HA 0.409 nan 4.420 nan 0.000 0.271 600 P C -0.594 176.625 177.300 -0.135 0.000 1.218 600 P CA -0.217 62.797 63.100 -0.142 0.000 0.780 600 P CB 0.563 32.222 31.700 -0.068 0.000 0.901 601 R N 0.556 120.991 120.500 -0.109 0.000 2.626 601 R HA 0.563 4.895 4.340 -0.013 0.000 0.274 601 R C -0.982 175.287 176.300 -0.053 0.000 1.031 601 R CA -0.596 55.443 56.100 -0.102 0.000 0.898 601 R CB 1.914 32.136 30.300 -0.130 0.000 1.222 601 R HN 0.268 nan 8.270 nan 0.000 0.455 602 T N 2.040 116.583 114.554 -0.018 0.000 2.809 602 T HA 0.234 4.577 4.350 -0.013 0.000 0.296 602 T C -0.726 173.899 174.700 -0.124 0.000 1.015 602 T CA -0.580 61.474 62.100 -0.076 0.000 0.954 602 T CB 1.170 69.962 68.868 -0.127 0.000 0.950 602 T HN 0.358 nan 8.240 nan 0.000 0.450 603 V N 4.968 124.813 119.914 -0.116 0.000 2.364 603 V HA 0.667 4.779 4.120 -0.013 0.000 0.272 603 V C -0.493 175.521 176.094 -0.133 0.000 1.036 603 V CA -0.670 61.562 62.300 -0.112 0.000 0.880 603 V CB 0.603 32.381 31.823 -0.075 0.000 0.991 603 V HN 0.870 nan 8.190 nan 0.000 0.460 604 M N 7.578 127.082 119.600 -0.160 0.000 2.114 604 M HA 0.585 5.057 4.480 -0.013 0.000 0.332 604 M C -0.870 175.316 176.300 -0.190 0.000 1.014 604 M CA -0.172 55.023 55.300 -0.176 0.000 0.956 604 M CB 1.766 34.249 32.600 -0.195 0.000 1.551 604 M HN 0.523 nan 8.290 nan 0.000 0.427 605 I N 2.317 122.768 120.570 -0.199 0.000 2.406 605 I HA 0.745 4.907 4.170 -0.013 0.000 0.290 605 I C 0.220 176.037 176.117 -0.499 0.000 0.999 605 I CA -0.581 60.581 61.300 -0.231 0.000 1.124 605 I CB 1.999 39.953 38.000 -0.077 0.000 1.289 605 I HN 0.785 nan 8.210 nan 0.000 0.441 606 G N 3.253 111.719 108.800 -0.556 0.000 2.612 606 G HA2 0.840 4.792 3.960 -0.013 0.000 0.298 606 G HA3 0.840 4.792 3.960 -0.013 0.000 0.298 606 G C -0.939 173.672 174.900 -0.481 0.000 1.336 606 G CA -0.877 43.755 45.100 -0.780 0.000 0.953 606 G HN 0.938 nan 8.290 nan 0.000 0.482 607 G N -0.288 108.359 108.800 -0.255 0.000 2.358 607 G HA2 0.435 4.388 3.960 -0.013 0.000 0.303 607 G HA3 0.435 4.388 3.960 -0.013 0.000 0.303 607 G C -1.542 173.473 174.900 0.192 0.000 1.537 607 G CA -0.994 44.125 45.100 0.031 0.000 0.928 607 G HN 0.596 nan 8.290 nan 0.000 0.656 608 K N -0.174 120.336 120.400 0.183 0.000 2.138 608 K HA 0.764 5.076 4.320 -0.013 0.000 0.263 608 K C 0.076 176.795 176.600 0.198 0.000 0.965 608 K CA -0.338 56.071 56.287 0.203 0.000 0.868 608 K CB 2.037 34.561 32.500 0.041 0.000 1.083 608 K HN 0.862 nan 8.250 nan 0.000 0.443 609 A N 1.750 124.725 122.820 0.258 0.000 2.317 609 A HA 0.668 4.980 4.320 -0.013 0.000 0.327 609 A C -0.508 177.239 177.584 0.273 0.000 1.178 609 A CA -0.722 51.407 52.037 0.155 0.000 0.817 609 A CB 1.106 20.125 19.000 0.031 0.000 1.189 609 A HN 0.791 nan 8.150 nan 0.000 0.489 610 A N 3.758 126.713 122.820 0.224 0.000 2.540 610 A HA 0.458 4.770 4.320 -0.013 0.000 0.239 610 A C -1.325 176.324 177.584 0.109 0.000 1.061 610 A CA -0.715 51.457 52.037 0.225 0.000 0.758 610 A CB -0.381 18.712 19.000 0.155 0.000 0.991 610 A HN 0.610 nan 8.150 nan 0.000 0.502 611 P HA -0.173 nan 4.420 nan 0.000 0.217 611 P C 1.368 178.648 177.300 -0.033 0.000 1.151 611 P CA 2.119 65.149 63.100 -0.116 0.000 0.849 611 P CB 0.186 31.765 31.700 -0.201 0.000 0.787 612 G N -3.376 105.426 108.800 0.003 0.000 3.042 612 G HA2 -0.117 3.836 3.960 -0.013 0.000 0.212 612 G HA3 -0.117 3.836 3.960 -0.013 0.000 0.212 612 G C -0.080 174.850 174.900 0.050 0.000 1.166 612 G CA -0.039 45.066 45.100 0.009 0.000 0.767 612 G HN 0.169 nan 8.290 nan 0.000 0.546 613 Y N 2.487 122.720 120.300 -0.112 0.000 2.616 613 Y HA 0.160 4.702 4.550 -0.013 0.000 0.350 613 Y C 1.526 177.406 175.900 -0.033 0.000 1.119 613 Y CA -1.671 56.350 58.100 -0.131 0.000 1.467 613 Y CB -0.672 37.672 38.460 -0.193 0.000 1.287 613 Y HN 0.364 nan 8.280 nan 0.000 0.504 614 H N 3.653 122.838 119.070 0.191 0.000 2.319 614 H HA -0.209 4.339 4.556 -0.013 0.000 0.299 614 H C 1.691 177.041 175.328 0.037 0.000 1.092 614 H CA 2.189 58.291 56.048 0.090 0.000 1.302 614 H CB 0.414 30.224 29.762 0.080 0.000 1.373 614 H HN 0.608 nan 8.280 nan 0.000 0.497 615 M N 1.133 120.694 119.600 -0.065 0.000 2.067 615 M HA -0.086 4.387 4.480 -0.013 0.000 0.260 615 M C 2.686 178.722 176.300 -0.440 0.000 1.069 615 M CA 1.951 57.121 55.300 -0.216 0.000 1.117 615 M CB -1.105 31.503 32.600 0.014 0.000 1.334 615 M HN 0.339 nan 8.290 nan 0.000 0.407 616 A N -0.349 121.936 122.820 -0.891 0.000 1.948 616 A HA -0.247 4.066 4.320 -0.013 0.000 0.220 616 A C 2.203 179.574 177.584 -0.356 0.000 1.177 616 A CA 2.157 53.733 52.037 -0.769 0.000 0.636 616 A CB -0.772 17.575 19.000 -1.089 0.000 0.815 616 A HN 0.627 nan 8.150 nan 0.000 0.449 617 K N -1.478 118.769 120.400 -0.255 0.000 2.228 617 K HA 0.036 4.348 4.320 -0.013 0.000 0.202 617 K C 1.812 178.369 176.600 -0.072 0.000 1.051 617 K CA 0.919 57.150 56.287 -0.093 0.000 0.960 617 K CB -0.147 32.357 32.500 0.007 0.000 0.743 617 K HN 0.338 nan 8.250 nan 0.000 0.458 618 M N 0.543 120.048 119.600 -0.158 0.000 2.254 618 M HA -0.026 4.446 4.480 -0.013 0.000 0.265 618 M C 2.014 178.257 176.300 -0.095 0.000 1.066 618 M CA 1.282 56.525 55.300 -0.096 0.000 1.123 618 M CB -0.429 32.072 32.600 -0.165 0.000 1.388 618 M HN 0.108 nan 8.290 nan 0.000 0.425 619 I N -0.392 120.083 120.570 -0.159 0.000 2.252 619 I HA -0.281 3.881 4.170 -0.013 0.000 0.245 619 I C 2.202 178.197 176.117 -0.203 0.000 1.102 619 I CA 0.962 62.162 61.300 -0.166 0.000 1.385 619 I CB -0.238 37.658 38.000 -0.173 0.000 1.064 619 I HN 0.149 nan 8.210 nan 0.000 0.414 620 I N 0.741 121.172 120.570 -0.233 0.000 2.286 620 I HA -0.298 3.864 4.170 -0.013 0.000 0.248 620 I C 2.527 178.359 176.117 -0.475 0.000 1.115 620 I CA 1.173 62.241 61.300 -0.387 0.000 1.392 620 I CB -0.237 37.522 38.000 -0.402 0.000 1.065 620 I HN 0.152 nan 8.210 nan 0.000 0.418 621 K N 1.390 121.538 120.400 -0.421 0.000 2.148 621 K HA -0.110 4.202 4.320 -0.013 0.000 0.204 621 K C 1.967 178.413 176.600 -0.256 0.000 1.050 621 K CA 1.356 57.316 56.287 -0.545 0.000 0.942 621 K CB -0.435 31.499 32.500 -0.944 0.000 0.724 621 K HN 0.237 nan 8.250 nan 0.000 0.446 622 L N 0.329 121.436 121.223 -0.193 0.000 2.005 622 L HA -0.120 4.212 4.340 -0.013 0.000 0.207 622 L C 2.142 178.775 176.870 -0.394 0.000 1.072 622 L CA 1.560 56.131 54.840 -0.448 0.000 0.744 622 L CB -0.311 41.426 42.059 -0.538 0.000 0.895 622 L HN 0.228 nan 8.230 nan 0.000 0.433 623 I N 0.078 120.467 120.570 -0.302 0.000 2.118 623 I HA -0.372 3.790 4.170 -0.013 0.000 0.241 623 I C 2.617 178.616 176.117 -0.196 0.000 1.070 623 I CA 2.110 63.280 61.300 -0.216 0.000 1.327 623 I CB -0.720 37.227 38.000 -0.090 0.000 1.034 623 I HN 0.449 nan 8.210 nan 0.000 0.405 624 T N -0.880 113.528 114.554 -0.244 0.000 2.867 624 T HA -0.047 4.295 4.350 -0.013 0.000 0.268 624 T C 1.953 176.573 174.700 -0.134 0.000 1.057 624 T CA 0.910 62.899 62.100 -0.185 0.000 1.136 624 T CB -0.415 68.296 68.868 -0.262 0.000 0.874 624 T HN 0.361 nan 8.240 nan 0.000 0.466 625 A N 1.470 124.202 122.820 -0.147 0.000 1.898 625 A HA 0.148 4.460 4.320 -0.013 0.000 0.216 625 A C 2.345 179.913 177.584 -0.027 0.000 1.181 625 A CA 1.242 53.253 52.037 -0.042 0.000 0.620 625 A CB -0.795 18.242 19.000 0.062 0.000 0.819 625 A HN 0.573 nan 8.150 nan 0.000 0.442 626 I N -0.259 120.189 120.570 -0.204 0.000 2.179 626 I HA -0.192 3.970 4.170 -0.013 0.000 0.242 626 I C 2.709 178.772 176.117 -0.089 0.000 1.088 626 I CA 1.218 62.384 61.300 -0.223 0.000 1.357 626 I CB -0.562 37.193 38.000 -0.408 0.000 1.051 626 I HN 0.380 nan 8.210 nan 0.000 0.409 627 G N 0.210 108.950 108.800 -0.099 0.000 2.442 627 G HA2 -0.251 3.701 3.960 -0.013 0.000 0.219 627 G HA3 -0.251 3.701 3.960 -0.013 0.000 0.219 627 G C 1.267 176.140 174.900 -0.046 0.000 1.141 627 G CA 0.944 45.996 45.100 -0.081 0.000 0.763 627 G HN 0.285 nan 8.290 nan 0.000 0.554 628 D N 0.123 120.535 120.400 0.021 0.000 2.117 628 D HA -0.086 4.546 4.640 -0.013 0.000 0.197 628 D C 2.735 179.128 176.300 0.157 0.000 0.987 628 D CA 0.742 54.823 54.000 0.135 0.000 0.829 628 D CB -0.291 40.553 40.800 0.073 0.000 0.961 628 D HN 0.237 nan 8.370 nan 0.000 0.460 629 V N 0.439 120.367 119.914 0.024 0.000 2.273 629 V HA -0.169 3.944 4.120 -0.013 0.000 0.242 629 V C 2.673 178.708 176.094 -0.099 0.000 1.035 629 V CA 0.912 63.167 62.300 -0.076 0.000 1.013 629 V CB -0.482 31.223 31.823 -0.197 0.000 0.652 629 V HN 0.022 nan 8.190 nan 0.000 0.452 630 V N 0.964 120.756 119.914 -0.202 0.000 2.287 630 V HA -0.261 3.851 4.120 -0.013 0.000 0.248 630 V C 2.148 178.201 176.094 -0.068 0.000 1.053 630 V CA 2.264 64.461 62.300 -0.172 0.000 1.027 630 V CB -0.973 30.749 31.823 -0.167 0.000 0.646 630 V HN 0.574 nan 8.190 nan 0.000 0.447 631 N N -0.501 118.089 118.700 -0.183 0.000 2.573 631 N HA -0.089 4.644 4.740 -0.013 0.000 0.187 631 N C 1.125 176.324 175.510 -0.519 0.000 1.107 631 N CA 0.908 53.748 53.050 -0.350 0.000 0.918 631 N CB -0.300 37.901 38.487 -0.477 0.000 0.966 631 N HN 0.715 nan 8.380 nan 0.000 0.448 632 H N -1.784 117.298 119.070 0.021 0.000 2.785 632 H HA 0.211 4.759 4.556 -0.013 0.000 0.268 632 H C -0.616 174.738 175.328 0.043 0.000 1.153 632 H CA -0.504 55.558 56.048 0.023 0.000 1.111 632 H CB 0.715 30.479 29.762 0.002 0.000 1.633 632 H HN -0.029 nan 8.280 nan 0.000 0.576 633 D N 1.782 122.264 120.400 0.136 0.000 2.316 633 D HA 0.053 4.686 4.640 -0.013 0.000 0.245 633 D C -1.635 174.729 176.300 0.106 0.000 1.171 633 D CA -2.042 52.052 54.000 0.156 0.000 0.856 633 D CB 1.754 42.721 40.800 0.278 0.000 1.090 633 D HN 0.112 nan 8.370 nan 0.000 0.476 634 P HA -0.111 nan 4.420 nan 0.000 0.218 634 P C 1.577 178.902 177.300 0.041 0.000 1.149 634 P CA 0.348 63.482 63.100 0.056 0.000 0.817 634 P CB 0.446 32.175 31.700 0.047 0.000 0.785 635 V N -0.533 119.403 119.914 0.037 0.000 2.515 635 V HA -0.162 3.950 4.120 -0.013 0.000 0.250 635 V C 2.445 178.541 176.094 0.003 0.000 1.058 635 V CA 1.478 63.784 62.300 0.010 0.000 1.064 635 V CB -0.981 30.834 31.823 -0.013 0.000 0.675 635 V HN -0.019 nan 8.190 nan 0.000 0.461 636 V N -0.150 119.781 119.914 0.029 0.000 2.427 636 V HA 0.084 4.197 4.120 -0.013 0.000 0.248 636 V C 1.789 177.892 176.094 0.015 0.000 1.051 636 V CA 1.438 63.754 62.300 0.027 0.000 1.048 636 V CB -1.277 30.607 31.823 0.100 0.000 0.666 636 V HN 0.733 nan 8.190 nan 0.000 0.456 637 G N 1.523 110.338 108.800 0.026 0.000 2.574 637 G HA2 -0.407 3.545 3.960 -0.013 0.000 0.286 637 G HA3 -0.407 3.545 3.960 -0.013 0.000 0.286 637 G C 0.250 175.162 174.900 0.021 0.000 1.212 637 G CA 0.601 45.715 45.100 0.023 0.000 0.979 637 G HN 0.739 nan 8.290 nan 0.000 0.557 638 D N -0.197 120.216 120.400 0.022 0.000 2.358 638 D HA 0.324 4.956 4.640 -0.013 0.000 0.224 638 D C 1.848 178.148 176.300 -0.000 0.000 1.123 638 D CA 0.227 54.242 54.000 0.025 0.000 0.833 638 D CB 0.125 40.956 40.800 0.052 0.000 0.946 638 D HN 0.565 nan 8.370 nan 0.000 0.505 639 R N -0.631 119.855 120.500 -0.023 0.000 2.240 639 R HA 0.285 4.617 4.340 -0.013 0.000 0.203 639 R C -0.236 176.025 176.300 -0.065 0.000 1.011 639 R CA 0.236 56.296 56.100 -0.066 0.000 1.007 639 R CB 0.218 30.456 30.300 -0.103 0.000 0.911 639 R HN 0.170 nan 8.270 nan 0.000 0.468 640 L N 0.676 121.879 121.223 -0.034 0.000 2.562 640 L HA 0.377 4.709 4.340 -0.013 0.000 0.266 640 L C -1.650 175.202 176.870 -0.030 0.000 0.949 640 L CA -0.522 54.298 54.840 -0.033 0.000 0.879 640 L CB 1.665 43.717 42.059 -0.011 0.000 1.278 640 L HN -0.123 nan 8.230 nan 0.000 0.404 641 R N 4.289 124.758 120.500 -0.051 0.000 2.561 641 R HA 0.722 5.054 4.340 -0.013 0.000 0.297 641 R C -1.508 174.742 176.300 -0.084 0.000 0.969 641 R CA -0.826 55.232 56.100 -0.070 0.000 0.879 641 R CB 2.315 32.572 30.300 -0.072 0.000 1.178 641 R HN 0.376 nan 8.270 nan 0.000 0.445 642 V N 5.133 124.994 119.914 -0.089 0.000 2.334 642 V HA 0.450 4.563 4.120 -0.013 0.000 0.281 642 V C -0.043 176.009 176.094 -0.071 0.000 1.016 642 V CA -0.588 61.661 62.300 -0.085 0.000 0.832 642 V CB 1.369 33.137 31.823 -0.091 0.000 0.999 642 V HN 0.577 nan 8.190 nan 0.000 0.439 643 I N 4.867 125.394 120.570 -0.073 0.000 2.465 643 I HA 0.448 4.610 4.170 -0.013 0.000 0.291 643 I C -0.783 175.319 176.117 -0.026 0.000 1.014 643 I CA -0.457 60.811 61.300 -0.053 0.000 1.093 643 I CB 2.052 39.993 38.000 -0.098 0.000 1.267 643 I HN 0.544 nan 8.210 nan 0.000 0.431 644 F N 7.601 127.484 119.950 -0.111 0.000 2.391 644 F HA 0.446 4.966 4.527 -0.012 0.000 0.359 644 F C -0.710 175.020 175.800 -0.117 0.000 1.122 644 F CA -0.712 57.223 58.000 -0.109 0.000 1.120 644 F CB 0.630 39.572 39.000 -0.097 0.000 1.142 644 F HN 0.130 nan 8.300 nan 0.000 0.483 645 L N 6.005 126.820 121.223 -0.679 0.000 2.407 645 L HA 0.167 4.499 4.340 -0.013 0.000 0.282 645 L C 0.406 176.954 176.870 -0.537 0.000 1.110 645 L CA 0.116 54.662 54.840 -0.489 0.000 0.863 645 L CB -0.038 41.820 42.059 -0.335 0.000 1.207 645 L HN 0.620 nan 8.230 nan 0.000 0.454 646 E N 2.862 122.882 120.200 -0.300 0.000 2.398 646 E HA -0.040 4.302 4.350 -0.013 0.000 0.263 646 E C 0.533 177.158 176.600 0.041 0.000 1.046 646 E CA -0.179 56.201 56.400 -0.034 0.000 0.908 646 E CB 0.313 30.015 29.700 0.004 0.000 0.963 646 E HN 0.511 nan 8.360 nan 0.000 0.431 647 N N 2.109 120.905 118.700 0.160 0.000 2.714 647 N HA -0.287 4.445 4.740 -0.013 0.000 0.252 647 N C -1.473 174.116 175.510 0.131 0.000 1.014 647 N CA 0.546 53.692 53.050 0.160 0.000 0.735 647 N CB -1.329 37.279 38.487 0.201 0.000 0.924 647 N HN 0.412 nan 8.380 nan 0.000 0.540 648 Y N 1.358 121.645 120.300 -0.023 0.000 2.721 648 Y HA 0.134 4.677 4.550 -0.013 0.000 0.329 648 Y C 1.120 177.022 175.900 0.003 0.000 1.211 648 Y CA 0.409 58.484 58.100 -0.042 0.000 1.512 648 Y CB 0.283 38.686 38.460 -0.095 0.000 1.249 648 Y HN 0.355 nan 8.280 nan 0.000 0.549 649 R N 2.558 122.712 120.500 -0.576 0.000 2.781 649 R HA 0.496 4.828 4.340 -0.013 0.000 0.268 649 R C -0.158 175.784 176.300 -0.597 0.000 1.047 649 R CA -0.687 55.128 56.100 -0.475 0.000 0.925 649 R CB 0.380 30.606 30.300 -0.123 0.000 1.246 649 R HN 0.354 nan 8.270 nan 0.000 0.456 650 V N 1.108 120.717 119.914 -0.508 0.000 2.231 650 V HA -0.316 3.796 4.120 -0.013 0.000 0.248 650 V C 2.610 178.578 176.094 -0.209 0.000 1.054 650 V CA 2.962 65.040 62.300 -0.371 0.000 1.015 650 V CB -0.804 30.771 31.823 -0.414 0.000 0.638 650 V HN 0.968 nan 8.190 nan 0.000 0.444 651 S N -0.108 115.489 115.700 -0.173 0.000 2.400 651 S HA -0.201 4.261 4.470 -0.013 0.000 0.232 651 S C 1.917 176.467 174.600 -0.083 0.000 1.025 651 S CA 1.840 59.970 58.200 -0.116 0.000 0.993 651 S CB -0.521 62.641 63.200 -0.063 0.000 0.808 651 S HN 0.386 nan 8.310 nan 0.000 0.478 652 L N 1.837 123.011 121.223 -0.081 0.000 2.131 652 L HA 0.384 4.717 4.340 -0.013 0.000 0.206 652 L C 2.659 179.521 176.870 -0.013 0.000 1.087 652 L CA 1.343 56.171 54.840 -0.020 0.000 0.767 652 L CB -1.376 40.720 42.059 0.062 0.000 0.917 652 L HN 0.350 nan 8.230 nan 0.000 0.441 653 A N -0.685 122.109 122.820 -0.044 0.000 1.933 653 A HA -0.222 4.091 4.320 -0.013 0.000 0.218 653 A C 2.107 179.729 177.584 0.063 0.000 1.175 653 A CA 1.734 53.823 52.037 0.086 0.000 0.628 653 A CB -0.588 18.442 19.000 0.050 0.000 0.814 653 A HN 0.589 nan 8.150 nan 0.000 0.444 654 E N -0.541 119.689 120.200 0.050 0.000 2.409 654 E HA -0.134 4.208 4.350 -0.013 0.000 0.198 654 E C 1.776 178.334 176.600 -0.070 0.000 1.024 654 E CA 1.000 57.401 56.400 0.002 0.000 0.861 654 E CB -0.011 29.608 29.700 -0.135 0.000 0.788 654 E HN 0.618 nan 8.360 nan 0.000 0.521 655 K N -0.181 120.148 120.400 -0.119 0.000 2.214 655 K HA -0.011 4.302 4.320 -0.013 0.000 0.201 655 K C 2.148 178.502 176.600 -0.410 0.000 1.049 655 K CA 0.806 56.992 56.287 -0.169 0.000 0.978 655 K CB 0.407 32.809 32.500 -0.163 0.000 0.842 655 K HN -0.008 nan 8.250 nan 0.000 0.474 656 V N 0.653 120.222 119.914 -0.576 0.000 2.407 656 V HA -0.150 3.962 4.120 -0.013 0.000 0.245 656 V C 2.174 177.988 176.094 -0.466 0.000 1.041 656 V CA 1.210 62.988 62.300 -0.870 0.000 1.040 656 V CB -0.739 30.724 31.823 -0.601 0.000 0.671 656 V HN 0.169 nan 8.190 nan 0.000 0.455 657 I N 0.975 121.309 120.570 -0.394 0.000 2.151 657 I HA -0.153 4.010 4.170 -0.013 0.000 0.243 657 I C -0.115 175.855 176.117 -0.245 0.000 1.080 657 I CA 1.893 62.881 61.300 -0.519 0.000 1.339 657 I CB -1.581 35.999 38.000 -0.699 0.000 1.039 657 I HN 0.365 nan 8.210 nan 0.000 0.409 658 P HA -0.087 nan 4.420 nan 0.000 0.228 658 P C 0.785 178.076 177.300 -0.015 0.000 1.151 658 P CA 1.134 64.199 63.100 -0.058 0.000 0.770 658 P CB 0.040 31.717 31.700 -0.037 0.000 0.786 659 A N -1.336 121.459 122.820 -0.041 0.000 2.348 659 A HA 0.544 4.857 4.320 -0.013 0.000 0.224 659 A C 1.103 178.812 177.584 0.208 0.000 1.227 659 A CA 0.007 52.090 52.037 0.077 0.000 0.885 659 A CB -0.465 18.594 19.000 0.099 0.000 0.933 659 A HN 0.191 nan 8.150 nan 0.000 0.506 660 A N -0.272 122.650 122.820 0.170 0.000 2.316 660 A HA 0.525 4.837 4.320 -0.013 0.000 0.284 660 A C 0.294 178.028 177.584 0.250 0.000 1.115 660 A CA -0.216 51.986 52.037 0.275 0.000 0.812 660 A CB 0.450 19.708 19.000 0.430 0.000 1.064 660 A HN 0.231 nan 8.150 nan 0.000 0.489 661 D N 0.229 120.768 120.400 0.232 0.000 2.615 661 D HA 0.134 4.767 4.640 -0.013 0.000 0.259 661 D C 0.020 176.497 176.300 0.295 0.000 0.999 661 D CA 0.643 54.815 54.000 0.286 0.000 0.938 661 D CB 0.246 41.125 40.800 0.132 0.000 1.121 661 D HN 0.350 nan 8.370 nan 0.000 0.487 662 L N 1.370 122.661 121.223 0.113 0.000 2.333 662 L HA 0.305 4.638 4.340 -0.013 0.000 0.280 662 L C -0.615 176.112 176.870 -0.239 0.000 1.004 662 L CA -0.263 54.563 54.840 -0.023 0.000 0.820 662 L CB 1.913 43.929 42.059 -0.071 0.000 1.247 662 L HN -0.131 nan 8.230 nan 0.000 0.416 663 S N 4.453 119.914 115.700 -0.398 0.000 2.429 663 S HA 0.343 4.805 4.470 -0.013 0.000 0.302 663 S C -0.427 173.879 174.600 -0.491 0.000 1.115 663 S CA -0.690 57.011 58.200 -0.832 0.000 1.095 663 S CB 0.850 63.446 63.200 -1.008 0.000 0.987 663 S HN 0.569 nan 8.310 nan 0.000 0.474 664 E N 4.149 124.082 120.200 -0.445 0.000 2.046 664 E HA 0.213 4.555 4.350 -0.013 0.000 0.279 664 E C -0.553 175.939 176.600 -0.180 0.000 0.989 664 E CA -0.440 55.830 56.400 -0.217 0.000 0.798 664 E CB 1.053 30.660 29.700 -0.155 0.000 1.086 664 E HN 0.621 nan 8.360 nan 0.000 0.399 665 Q N 2.882 122.626 119.800 -0.093 0.000 2.943 665 Q HA 0.251 4.583 4.340 -0.013 0.000 0.327 665 Q C 0.675 176.663 176.000 -0.019 0.000 0.937 665 Q CA -0.141 55.622 55.803 -0.067 0.000 0.914 665 Q CB 0.247 28.955 28.738 -0.050 0.000 1.339 665 Q HN 0.610 nan 8.270 nan 0.000 0.417 666 I N -1.374 119.180 120.570 -0.026 0.000 3.712 666 I HA 0.260 4.422 4.170 -0.013 0.000 0.342 666 I C 0.204 176.279 176.117 -0.069 0.000 1.487 666 I CA -0.537 60.760 61.300 -0.005 0.000 1.179 666 I CB 0.030 38.042 38.000 0.019 0.000 1.403 666 I HN -0.044 nan 8.210 nan 0.000 0.444 667 S N 0.504 116.161 115.700 -0.073 0.000 2.593 667 S HA 0.269 4.732 4.470 -0.013 0.000 0.269 667 S C 0.523 175.112 174.600 -0.019 0.000 1.334 667 S CA -0.383 57.792 58.200 -0.042 0.000 1.015 667 S CB 0.746 63.964 63.200 0.029 0.000 0.912 667 S HN 0.418 nan 8.310 nan 0.000 0.541 668 T N 2.482 117.062 114.554 0.042 0.000 2.888 668 T HA 0.405 4.747 4.350 -0.013 0.000 0.301 668 T C 0.702 175.417 174.700 0.026 0.000 1.001 668 T CA 0.151 62.281 62.100 0.049 0.000 1.147 668 T CB 0.054 69.020 68.868 0.164 0.000 0.931 668 T HN 0.981 nan 8.240 nan 0.000 0.541 669 A N 2.818 125.622 122.820 -0.027 0.000 2.580 669 A HA 0.429 4.741 4.320 -0.013 0.000 0.244 669 A C 1.641 179.219 177.584 -0.010 0.000 1.045 669 A CA 0.347 52.363 52.037 -0.036 0.000 0.761 669 A CB -0.967 18.000 19.000 -0.055 0.000 0.962 669 A HN 1.721 nan 8.150 nan 0.000 0.512 670 G N 1.523 110.316 108.800 -0.011 0.000 2.157 670 G HA2 -0.232 3.720 3.960 -0.013 0.000 0.239 670 G HA3 -0.232 3.720 3.960 -0.013 0.000 0.239 670 G C 0.836 175.726 174.900 -0.017 0.000 0.982 670 G CA 1.143 46.237 45.100 -0.009 0.000 0.650 670 G HN 2.049 nan 8.290 nan 0.000 0.527 671 T N -2.727 111.817 114.554 -0.016 0.000 3.018 671 T HA 0.407 4.749 4.350 -0.013 0.000 0.246 671 T C 0.730 175.292 174.700 -0.230 0.000 1.026 671 T CA 1.044 63.071 62.100 -0.121 0.000 1.081 671 T CB 0.565 69.408 68.868 -0.041 0.000 0.970 671 T HN 0.274 nan 8.240 nan 0.000 0.475 672 E N 1.582 121.781 120.200 -0.002 0.000 2.044 672 E HA 0.670 5.012 4.350 -0.013 0.000 0.282 672 E C 1.191 177.758 176.600 -0.055 0.000 1.031 672 E CA 0.053 56.500 56.400 0.079 0.000 0.824 672 E CB 0.761 30.549 29.700 0.146 0.000 1.076 672 E HN 0.342 nan 8.360 nan 0.000 0.395 673 A N 3.421 126.137 122.820 -0.174 0.000 1.927 673 A HA -0.237 4.075 4.320 -0.013 0.000 0.220 673 A C 1.946 179.423 177.584 -0.178 0.000 1.185 673 A CA 2.359 54.173 52.037 -0.371 0.000 0.639 673 A CB -0.241 18.337 19.000 -0.702 0.000 0.820 673 A HN 0.622 nan 8.150 nan 0.000 0.451 674 S N -4.382 111.268 115.700 -0.084 0.000 4.428 674 S HA 0.452 4.914 4.470 -0.013 0.000 0.199 674 S C 0.663 175.252 174.600 -0.018 0.000 1.156 674 S CA 1.346 59.533 58.200 -0.022 0.000 1.134 674 S CB -0.176 63.032 63.200 0.013 0.000 1.531 674 S HN 2.341 nan 8.310 nan 0.000 0.551 675 G N 0.104 108.898 108.800 -0.010 0.000 2.690 675 G HA2 0.035 3.987 3.960 -0.013 0.000 0.686 675 G HA3 0.035 3.987 3.960 -0.013 0.000 0.686 675 G C 0.202 175.079 174.900 -0.039 0.000 1.277 675 G CA 0.457 45.545 45.100 -0.019 0.000 0.799 675 G HN 1.430 nan 8.290 nan 0.000 0.613 676 T N -2.752 111.763 114.554 -0.065 0.000 3.074 676 T HA 0.365 4.707 4.350 -0.013 0.000 0.258 676 T C 2.288 176.884 174.700 -0.173 0.000 0.891 676 T CA 1.233 63.266 62.100 -0.110 0.000 0.867 676 T CB 0.242 69.040 68.868 -0.116 0.000 1.261 676 T HN 1.912 nan 8.240 nan 0.000 0.537 677 G N 3.138 111.863 108.800 -0.125 0.000 2.422 677 G HA2 -0.230 3.722 3.960 -0.013 0.000 0.218 677 G HA3 -0.230 3.722 3.960 -0.013 0.000 0.218 677 G C 1.433 176.373 174.900 0.067 0.000 1.146 677 G CA 1.149 46.191 45.100 -0.096 0.000 0.769 677 G HN 0.811 nan 8.290 nan 0.000 0.547 678 N N 0.352 119.071 118.700 0.030 0.000 2.104 678 N HA -0.164 4.568 4.740 -0.013 0.000 0.190 678 N C 2.218 177.728 175.510 -0.000 0.000 1.024 678 N CA 1.436 54.506 53.050 0.033 0.000 0.853 678 N CB -0.394 38.067 38.487 -0.043 0.000 1.008 678 N HN 0.344 nan 8.380 nan 0.000 0.424 679 M N 0.767 120.299 119.600 -0.113 0.000 2.229 679 M HA -0.023 4.450 4.480 -0.013 0.000 0.264 679 M C 2.002 178.252 176.300 -0.083 0.000 1.063 679 M CA 1.402 56.619 55.300 -0.139 0.000 1.114 679 M CB -0.128 32.387 32.600 -0.142 0.000 1.387 679 M HN 0.096 nan 8.290 nan 0.000 0.420 680 K N 0.213 120.500 120.400 -0.189 0.000 2.057 680 K HA -0.108 4.204 4.320 -0.013 0.000 0.207 680 K C 1.703 178.200 176.600 -0.172 0.000 1.049 680 K CA 1.444 57.552 56.287 -0.299 0.000 0.931 680 K CB -0.275 31.823 32.500 -0.671 0.000 0.714 680 K HN 0.151 nan 8.250 nan 0.000 0.440 681 F N 1.020 120.891 119.950 -0.130 0.000 2.134 681 F HA -0.137 4.381 4.527 -0.014 0.000 0.299 681 F C 2.545 178.314 175.800 -0.051 0.000 1.097 681 F CA 1.204 59.154 58.000 -0.084 0.000 1.264 681 F CB -0.274 38.666 39.000 -0.099 0.000 1.001 681 F HN 0.008 nan 8.300 nan 0.000 0.479 682 M N -0.376 119.308 119.600 0.141 0.000 2.117 682 M HA -0.194 4.278 4.480 -0.013 0.000 0.262 682 M C 2.015 178.369 176.300 0.090 0.000 1.065 682 M CA 1.611 56.964 55.300 0.089 0.000 1.114 682 M CB -0.210 32.437 32.600 0.078 0.000 1.361 682 M HN 0.273 nan 8.290 nan 0.000 0.408 683 L N 0.374 121.649 121.223 0.086 0.000 2.478 683 L HA 0.011 4.343 4.340 -0.013 0.000 0.223 683 L C 1.100 178.015 176.870 0.075 0.000 1.140 683 L CA 1.286 56.183 54.840 0.094 0.000 0.842 683 L CB -0.401 41.725 42.059 0.112 0.000 0.953 683 L HN 0.310 nan 8.230 nan 0.000 0.452 684 N N 0.026 118.762 118.700 0.059 0.000 2.214 684 N HA 0.193 4.925 4.740 -0.013 0.000 0.214 684 N C 0.773 176.318 175.510 0.058 0.000 1.132 684 N CA 0.762 53.839 53.050 0.046 0.000 0.856 684 N CB 0.680 39.170 38.487 0.006 0.000 1.020 684 N HN 0.366 nan 8.380 nan 0.000 0.509 685 G N 0.669 109.509 108.800 0.067 0.000 2.171 685 G HA2 -0.173 3.779 3.960 -0.013 0.000 0.238 685 G HA3 -0.173 3.779 3.960 -0.013 0.000 0.238 685 G C -0.104 174.867 174.900 0.118 0.000 1.039 685 G CA 0.168 45.310 45.100 0.071 0.000 0.759 685 G HN 0.518 nan 8.290 nan 0.000 0.501 686 A N -0.599 122.296 122.820 0.125 0.000 2.355 686 A HA 0.903 5.216 4.320 -0.013 0.000 0.324 686 A C -0.319 177.272 177.584 0.012 0.000 1.117 686 A CA -0.738 51.392 52.037 0.154 0.000 0.785 686 A CB 1.544 20.700 19.000 0.259 0.000 1.254 686 A HN 0.764 nan 8.150 nan 0.000 0.453 687 L N 0.805 122.002 121.223 -0.043 0.000 2.379 687 L HA 0.574 4.906 4.340 -0.013 0.000 0.269 687 L C 0.465 177.201 176.870 -0.224 0.000 1.084 687 L CA 0.410 55.123 54.840 -0.213 0.000 0.802 687 L CB 1.599 43.444 42.059 -0.357 0.000 1.175 687 L HN 0.734 nan 8.230 nan 0.000 0.448 688 T N 4.103 118.401 114.554 -0.427 0.000 2.758 688 T HA 0.502 4.844 4.350 -0.013 0.000 0.285 688 T C -0.185 174.364 174.700 -0.251 0.000 0.981 688 T CA -0.168 61.655 62.100 -0.461 0.000 0.965 688 T CB 0.792 69.212 68.868 -0.746 0.000 0.927 688 T HN 0.438 nan 8.240 nan 0.000 0.448 689 I N 3.130 123.657 120.570 -0.072 0.000 2.339 689 I HA 0.719 4.881 4.170 -0.013 0.000 0.290 689 I C 0.166 176.425 176.117 0.236 0.000 0.994 689 I CA 0.137 61.516 61.300 0.131 0.000 1.191 689 I CB 0.241 38.242 38.000 0.002 0.000 1.343 689 I HN 0.780 nan 8.210 nan 0.000 0.458 690 G N 4.060 113.080 108.800 0.367 0.000 2.550 690 G HA2 0.455 4.407 3.960 -0.013 0.000 0.293 690 G HA3 0.455 4.407 3.960 -0.013 0.000 0.293 690 G C -0.944 173.890 174.900 -0.110 0.000 1.402 690 G CA -0.235 44.998 45.100 0.222 0.000 0.784 690 G HN 0.597 nan 8.290 nan 0.000 0.482 691 T N -1.864 112.511 114.554 -0.300 0.000 2.912 691 T HA 0.559 4.902 4.350 -0.013 0.000 0.280 691 T C 0.586 175.172 174.700 -0.190 0.000 0.989 691 T CA -0.727 61.111 62.100 -0.436 0.000 0.995 691 T CB 1.294 69.895 68.868 -0.445 0.000 1.077 691 T HN 0.253 nan 8.240 nan 0.000 0.531 692 M N 2.832 122.327 119.600 -0.174 0.000 3.436 692 M HA 0.352 4.824 4.480 -0.013 0.000 0.240 692 M C -0.518 175.728 176.300 -0.090 0.000 1.469 692 M CA -0.141 55.091 55.300 -0.112 0.000 1.622 692 M CB -1.745 30.797 32.600 -0.097 0.000 1.098 692 M HN 0.723 nan 8.290 nan 0.000 0.568 693 D N -0.159 120.194 120.400 -0.077 0.000 2.601 693 D HA 0.680 5.312 4.640 -0.013 0.000 0.230 693 D C 0.783 177.062 176.300 -0.036 0.000 1.106 693 D CA 0.675 54.645 54.000 -0.049 0.000 0.873 693 D CB 1.785 42.559 40.800 -0.044 0.000 1.515 693 D HN 0.585 nan 8.370 nan 0.000 0.468 694 G N 1.633 110.422 108.800 -0.017 0.000 2.661 694 G HA2 -0.286 3.666 3.960 -0.013 0.000 0.327 694 G HA3 -0.286 3.666 3.960 -0.013 0.000 0.327 694 G C 1.054 175.947 174.900 -0.012 0.000 1.320 694 G CA 1.287 46.382 45.100 -0.008 0.000 0.997 694 G HN 1.020 nan 8.290 nan 0.000 0.543 695 A N -0.352 122.455 122.820 -0.021 0.000 2.209 695 A HA 0.089 4.401 4.320 -0.013 0.000 0.212 695 A C 2.119 179.637 177.584 -0.110 0.000 1.158 695 A CA 1.844 53.861 52.037 -0.034 0.000 0.742 695 A CB -0.446 18.520 19.000 -0.057 0.000 0.790 695 A HN 0.607 nan 8.150 nan 0.000 0.472 696 N N 0.495 119.137 118.700 -0.098 0.000 2.094 696 N HA -0.156 4.577 4.740 -0.013 0.000 0.191 696 N C 1.603 176.975 175.510 -0.230 0.000 1.023 696 N CA 1.626 54.606 53.050 -0.116 0.000 0.857 696 N CB -0.581 37.885 38.487 -0.035 0.000 1.013 696 N HN 0.285 nan 8.380 nan 0.000 0.426 697 V N 1.253 121.079 119.914 -0.147 0.000 2.287 697 V HA -0.214 3.898 4.120 -0.013 0.000 0.248 697 V C 1.942 177.958 176.094 -0.131 0.000 1.053 697 V CA 1.688 63.900 62.300 -0.145 0.000 1.027 697 V CB -0.497 31.278 31.823 -0.079 0.000 0.646 697 V HN 0.363 nan 8.190 nan 0.000 0.447 698 E N -0.575 119.606 120.200 -0.031 0.000 2.208 698 E HA -0.143 4.199 4.350 -0.013 0.000 0.193 698 E C 2.188 178.905 176.600 0.194 0.000 0.988 698 E CA 1.088 57.548 56.400 0.101 0.000 0.828 698 E CB -0.176 29.671 29.700 0.245 0.000 0.763 698 E HN 0.560 nan 8.360 nan 0.000 0.478 699 M N 0.303 119.906 119.600 0.005 0.000 2.156 699 M HA -0.083 4.389 4.480 -0.013 0.000 0.264 699 M C 2.467 178.561 176.300 -0.343 0.000 1.067 699 M CA 1.370 56.622 55.300 -0.081 0.000 1.131 699 M CB -0.092 32.326 32.600 -0.303 0.000 1.368 699 M HN 0.125 nan 8.290 nan 0.000 0.416 700 A N 0.084 122.403 122.820 -0.836 0.000 1.898 700 A HA -0.204 4.109 4.320 -0.013 0.000 0.216 700 A C 1.997 179.386 177.584 -0.325 0.000 1.181 700 A CA 1.887 53.368 52.037 -0.926 0.000 0.620 700 A CB -0.780 17.685 19.000 -0.891 0.000 0.819 700 A HN 0.578 nan 8.150 nan 0.000 0.442 701 E N -0.435 119.638 120.200 -0.211 0.000 2.153 701 E HA -0.208 4.135 4.350 -0.013 0.000 0.194 701 E C 1.674 178.246 176.600 -0.047 0.000 0.988 701 E CA 1.226 57.566 56.400 -0.098 0.000 0.811 701 E CB -0.050 29.610 29.700 -0.066 0.000 0.746 701 E HN 0.551 nan 8.360 nan 0.000 0.466 702 E N -0.084 120.114 120.200 -0.003 0.000 2.112 702 E HA -0.065 4.277 4.350 -0.013 0.000 0.190 702 E C 1.742 178.366 176.600 0.041 0.000 0.979 702 E CA 1.021 57.442 56.400 0.036 0.000 0.814 702 E CB 0.064 29.834 29.700 0.117 0.000 0.762 702 E HN 0.358 nan 8.360 nan 0.000 0.460 703 A N 0.355 123.206 122.820 0.051 0.000 2.147 703 A HA 0.387 4.699 4.320 -0.013 0.000 0.211 703 A C 0.984 178.588 177.584 0.035 0.000 1.160 703 A CA 0.951 53.033 52.037 0.075 0.000 0.781 703 A CB 0.182 19.286 19.000 0.173 0.000 0.842 703 A HN 0.213 nan 8.150 nan 0.000 0.475 704 G N -0.400 108.395 108.800 -0.008 0.000 3.055 704 G HA2 -0.095 3.858 3.960 -0.013 0.000 0.686 704 G HA3 -0.095 3.858 3.960 -0.013 0.000 0.686 704 G C -0.066 174.821 174.900 -0.022 0.000 1.087 704 G CA -0.024 45.063 45.100 -0.022 0.000 0.779 704 G HN 0.248 nan 8.290 nan 0.000 0.599 705 E N 0.814 120.987 120.200 -0.045 0.000 2.331 705 E HA -0.136 4.207 4.350 -0.013 0.000 0.199 705 E C 2.018 178.604 176.600 -0.023 0.000 1.008 705 E CA 1.673 58.053 56.400 -0.032 0.000 0.843 705 E CB 0.089 29.763 29.700 -0.043 0.000 0.761 705 E HN 0.788 nan 8.360 nan 0.000 0.507 706 E N 0.537 120.711 120.200 -0.045 0.000 2.274 706 E HA -0.071 4.271 4.350 -0.013 0.000 0.194 706 E C 0.931 177.440 176.600 -0.152 0.000 0.996 706 E CA 0.625 56.974 56.400 -0.085 0.000 0.840 706 E CB 0.072 29.735 29.700 -0.061 0.000 0.772 706 E HN 0.151 nan 8.360 nan 0.000 0.491 707 N N -0.211 118.433 118.700 -0.094 0.000 2.251 707 N HA 0.141 4.873 4.740 -0.013 0.000 0.217 707 N C -0.979 174.454 175.510 -0.128 0.000 1.124 707 N CA 0.113 53.080 53.050 -0.138 0.000 0.843 707 N CB 0.406 38.867 38.487 -0.044 0.000 1.024 707 N HN 0.040 nan 8.380 nan 0.000 0.501 708 F N -0.316 119.425 119.950 -0.348 0.000 2.578 708 F HA 0.392 4.911 4.527 -0.014 0.000 0.311 708 F C -0.793 174.796 175.800 -0.351 0.000 1.094 708 F CA -1.065 56.772 58.000 -0.271 0.000 0.923 708 F CB 1.363 40.291 39.000 -0.120 0.000 1.230 708 F HN -0.210 nan 8.300 nan 0.000 0.450 709 F N 5.493 125.448 119.950 0.008 0.000 2.395 709 F HA 0.410 4.929 4.527 -0.013 0.000 0.347 709 F C -0.334 175.599 175.800 0.222 0.000 1.157 709 F CA -0.469 57.575 58.000 0.073 0.000 1.272 709 F CB -0.166 38.822 39.000 -0.020 0.000 1.607 709 F HN 0.054 nan 8.300 nan 0.000 0.571 710 I N 3.359 124.136 120.570 0.344 0.000 2.440 710 I HA 0.407 4.569 4.170 -0.013 0.000 0.294 710 I C -0.053 176.243 176.117 0.298 0.000 0.995 710 I CA -0.434 61.028 61.300 0.270 0.000 1.306 710 I CB 0.602 38.681 38.000 0.131 0.000 1.407 710 I HN 0.355 nan 8.210 nan 0.000 0.501 711 F N 2.776 122.794 119.950 0.114 0.000 2.789 711 F HA 0.907 5.426 4.527 -0.013 0.000 0.319 711 F C 0.197 176.042 175.800 0.074 0.000 1.168 711 F CA -0.608 57.450 58.000 0.096 0.000 0.934 711 F CB 0.569 39.640 39.000 0.118 0.000 1.375 711 F HN 0.860 nan 8.300 nan 0.000 0.480 712 G N 0.929 109.834 108.800 0.175 0.000 2.804 712 G HA2 -0.174 3.779 3.960 -0.013 0.000 0.230 712 G HA3 -0.174 3.779 3.960 -0.013 0.000 0.230 712 G C -0.630 174.248 174.900 -0.036 0.000 1.386 712 G CA -0.368 44.760 45.100 0.046 0.000 0.875 712 G HN 0.973 nan 8.290 nan 0.000 0.557 713 M N 0.583 120.173 119.600 -0.016 0.000 2.252 713 M HA 0.219 4.691 4.480 -0.013 0.000 0.329 713 M C 1.238 177.506 176.300 -0.053 0.000 1.101 713 M CA 0.248 55.541 55.300 -0.012 0.000 1.117 713 M CB 0.309 32.911 32.600 0.003 0.000 1.563 713 M HN 0.562 nan 8.290 nan 0.000 0.445 714 R N 1.357 121.839 120.500 -0.031 0.000 2.606 714 R HA 0.346 4.679 4.340 -0.013 0.000 0.249 714 R C 1.130 177.412 176.300 -0.030 0.000 1.127 714 R CA -0.680 55.396 56.100 -0.041 0.000 1.133 714 R CB -0.073 30.209 30.300 -0.029 0.000 1.243 714 R HN 0.560 nan 8.270 nan 0.000 0.558 715 V N 1.705 121.600 119.914 -0.032 0.000 2.332 715 V HA -0.253 3.859 4.120 -0.013 0.000 0.248 715 V C 1.922 178.006 176.094 -0.017 0.000 1.055 715 V CA 2.043 64.328 62.300 -0.026 0.000 1.038 715 V CB -0.461 31.345 31.823 -0.029 0.000 0.651 715 V HN 0.599 nan 8.190 nan 0.000 0.450 716 E N 0.154 120.345 120.200 -0.014 0.000 2.110 716 E HA -0.200 4.142 4.350 -0.013 0.000 0.193 716 E C 1.796 178.400 176.600 0.007 0.000 0.988 716 E CA 1.448 57.845 56.400 -0.005 0.000 0.804 716 E CB -0.847 28.850 29.700 -0.004 0.000 0.745 716 E HN 0.643 nan 8.360 nan 0.000 0.458 717 D N 0.957 121.363 120.400 0.011 0.000 2.117 717 D HA -0.093 4.539 4.640 -0.013 0.000 0.197 717 D C 2.091 178.409 176.300 0.030 0.000 0.987 717 D CA 1.238 55.255 54.000 0.028 0.000 0.829 717 D CB 0.034 40.855 40.800 0.036 0.000 0.961 717 D HN 0.059 nan 8.370 nan 0.000 0.460 718 V N 2.085 122.005 119.914 0.009 0.000 2.287 718 V HA -0.227 3.886 4.120 -0.013 0.000 0.248 718 V C 2.027 178.123 176.094 0.004 0.000 1.053 718 V CA 1.774 64.072 62.300 -0.003 0.000 1.027 718 V CB -0.448 31.362 31.823 -0.021 0.000 0.646 718 V HN 0.042 nan 8.190 nan 0.000 0.447 719 D N -0.391 120.010 120.400 0.002 0.000 2.117 719 D HA -0.147 4.485 4.640 -0.013 0.000 0.197 719 D C 2.364 178.677 176.300 0.021 0.000 0.987 719 D CA 1.153 55.155 54.000 0.004 0.000 0.829 719 D CB -0.242 40.557 40.800 -0.003 0.000 0.961 719 D HN 0.319 nan 8.370 nan 0.000 0.460 720 R N 0.222 120.739 120.500 0.029 0.000 2.083 720 R HA -0.055 4.278 4.340 -0.013 0.000 0.237 720 R C 2.487 178.823 176.300 0.061 0.000 1.137 720 R CA 0.675 56.800 56.100 0.041 0.000 0.951 720 R CB -0.428 29.899 30.300 0.045 0.000 0.851 720 R HN 0.173 nan 8.270 nan 0.000 0.434 721 L N 0.539 121.809 121.223 0.079 0.000 2.083 721 L HA -0.231 4.102 4.340 -0.013 0.000 0.209 721 L C 1.417 178.356 176.870 0.116 0.000 1.083 721 L CA 1.429 56.344 54.840 0.125 0.000 0.752 721 L CB -0.280 41.873 42.059 0.157 0.000 0.899 721 L HN 0.296 nan 8.230 nan 0.000 0.433 722 D N -0.977 119.465 120.400 0.070 0.000 2.149 722 D HA -0.150 4.482 4.640 -0.013 0.000 0.201 722 D C 2.296 178.627 176.300 0.052 0.000 0.972 722 D CA 0.735 54.768 54.000 0.056 0.000 0.835 722 D CB 0.082 40.892 40.800 0.018 0.000 0.966 722 D HN 0.375 nan 8.370 nan 0.000 0.476 723 Q N 0.549 120.376 119.800 0.044 0.000 2.020 723 Q HA -0.104 4.229 4.340 -0.013 0.000 0.202 723 Q C 2.282 178.309 176.000 0.046 0.000 0.982 723 Q CA 0.809 56.635 55.803 0.037 0.000 0.838 723 Q CB -0.412 28.344 28.738 0.031 0.000 0.899 723 Q HN 0.296 nan 8.270 nan 0.000 0.423 724 R N 0.264 120.798 120.500 0.058 0.000 2.080 724 R HA -0.079 4.253 4.340 -0.013 0.000 0.236 724 R C 0.258 176.599 176.300 0.068 0.000 1.137 724 R CA 1.342 57.479 56.100 0.061 0.000 0.943 724 R CB -0.182 30.164 30.300 0.077 0.000 0.846 724 R HN 0.423 nan 8.270 nan 0.000 0.431 725 G N -0.666 108.191 108.800 0.095 0.000 3.326 725 G HA2 -0.204 3.749 3.960 -0.013 0.000 0.681 725 G HA3 -0.204 3.749 3.960 -0.013 0.000 0.681 725 G C -1.441 173.556 174.900 0.161 0.000 1.255 725 G CA -0.495 44.669 45.100 0.107 0.000 0.976 725 G HN 0.307 nan 8.290 nan 0.000 0.563 726 Y N 3.820 124.155 120.300 0.058 0.000 2.393 726 Y HA 0.610 5.152 4.550 -0.013 0.000 0.338 726 Y C 0.249 176.209 175.900 0.099 0.000 1.029 726 Y CA -0.810 57.344 58.100 0.090 0.000 1.239 726 Y CB 1.043 39.535 38.460 0.055 0.000 1.170 726 Y HN 0.577 nan 8.280 nan 0.000 0.515 727 N N 5.070 123.509 118.700 -0.436 0.000 2.531 727 N HA 0.284 5.016 4.740 -0.013 0.000 0.268 727 N C -0.118 175.116 175.510 -0.461 0.000 1.023 727 N CA 0.233 53.060 53.050 -0.372 0.000 0.896 727 N CB 1.720 40.126 38.487 -0.135 0.000 1.233 727 N HN 0.884 nan 8.380 nan 0.000 0.512 728 A N 3.010 125.518 122.820 -0.520 0.000 2.121 728 A HA -0.159 4.153 4.320 -0.013 0.000 0.218 728 A C 1.890 179.610 177.584 0.227 0.000 1.154 728 A CA 1.126 53.120 52.037 -0.071 0.000 0.679 728 A CB -0.174 18.765 19.000 -0.101 0.000 0.795 728 A HN 0.752 nan 8.150 nan 0.000 0.458 729 Q N 0.340 120.164 119.800 0.039 0.000 2.084 729 Q HA -0.193 4.140 4.340 -0.013 0.000 0.202 729 Q C 1.862 177.931 176.000 0.116 0.000 0.978 729 Q CA 2.093 57.938 55.803 0.071 0.000 0.844 729 Q CB -0.301 28.434 28.738 -0.005 0.000 0.898 729 Q HN 0.745 nan 8.270 nan 0.000 0.426 730 E N -1.089 119.110 120.200 -0.001 0.000 2.048 730 E HA -0.262 4.080 4.350 -0.013 0.000 0.202 730 E C 1.724 178.237 176.600 -0.145 0.000 1.021 730 E CA 1.796 58.116 56.400 -0.133 0.000 0.825 730 E CB -0.285 29.222 29.700 -0.321 0.000 0.756 730 E HN 0.544 nan 8.360 nan 0.000 0.454 731 Y N -1.061 119.278 120.300 0.065 0.000 2.207 731 Y HA -0.256 4.286 4.550 -0.013 0.000 0.287 731 Y C 2.229 178.092 175.900 -0.063 0.000 1.156 731 Y CA 1.677 59.800 58.100 0.039 0.000 1.182 731 Y CB -0.708 37.829 38.460 0.128 0.000 0.979 731 Y HN 0.307 nan 8.280 nan 0.000 0.521 732 Y N 1.012 121.309 120.300 -0.006 0.000 2.181 732 Y HA -0.236 4.306 4.550 -0.013 0.000 0.288 732 Y C 1.939 177.785 175.900 -0.090 0.000 1.146 732 Y CA 1.729 59.753 58.100 -0.126 0.000 1.164 732 Y CB -0.318 38.121 38.460 -0.035 0.000 0.982 732 Y HN 0.060 nan 8.280 nan 0.000 0.515 733 D N -0.119 120.319 120.400 0.065 0.000 2.144 733 D HA -0.114 4.518 4.640 -0.013 0.000 0.200 733 D C 1.884 178.128 176.300 -0.094 0.000 0.978 733 D CA 1.234 55.225 54.000 -0.016 0.000 0.833 733 D CB -0.096 40.727 40.800 0.038 0.000 0.961 733 D HN 0.486 nan 8.370 nan 0.000 0.470 734 R N 0.027 120.475 120.500 -0.085 0.000 2.300 734 R HA 0.214 4.546 4.340 -0.013 0.000 0.199 734 R C 0.436 176.696 176.300 -0.067 0.000 0.920 734 R CA 0.139 56.194 56.100 -0.074 0.000 1.046 734 R CB 0.709 30.967 30.300 -0.071 0.000 0.984 734 R HN 0.173 nan 8.270 nan 0.000 0.493 735 I N 2.331 122.837 120.570 -0.106 0.000 2.420 735 I HA 0.214 4.376 4.170 -0.013 0.000 0.282 735 I C -1.888 174.119 176.117 -0.184 0.000 1.019 735 I CA -2.449 58.797 61.300 -0.090 0.000 1.130 735 I CB 2.363 40.343 38.000 -0.034 0.000 1.262 735 I HN -0.263 nan 8.210 nan 0.000 0.454 736 P HA -0.125 nan 4.420 nan 0.000 0.216 736 P C 1.201 178.408 177.300 -0.156 0.000 1.153 736 P CA 1.223 64.224 63.100 -0.165 0.000 0.848 736 P CB 0.316 31.953 31.700 -0.105 0.000 0.787 737 E N -0.841 119.307 120.200 -0.086 0.000 2.110 737 E HA -0.177 4.165 4.350 -0.013 0.000 0.193 737 E C 1.850 178.374 176.600 -0.127 0.000 0.988 737 E CA 0.827 57.200 56.400 -0.045 0.000 0.804 737 E CB -0.586 29.157 29.700 0.072 0.000 0.745 737 E HN 0.103 nan 8.360 nan 0.000 0.458 738 L N 1.306 122.365 121.223 -0.274 0.000 2.027 738 L HA -0.131 4.201 4.340 -0.013 0.000 0.206 738 L C 2.375 178.994 176.870 -0.419 0.000 1.074 738 L CA 1.671 56.178 54.840 -0.554 0.000 0.745 738 L CB -0.470 41.106 42.059 -0.805 0.000 0.898 738 L HN -0.079 nan 8.230 nan 0.000 0.433 739 R N -0.767 119.457 120.500 -0.459 0.000 2.091 739 R HA -0.251 4.081 4.340 -0.013 0.000 0.238 739 R C 2.388 178.547 176.300 -0.235 0.000 1.136 739 R CA 2.048 57.810 56.100 -0.564 0.000 0.959 739 R CB -0.386 29.474 30.300 -0.733 0.000 0.856 739 R HN 0.627 nan 8.270 nan 0.000 0.437 740 Q N 0.380 120.069 119.800 -0.186 0.000 2.135 740 Q HA -0.182 4.150 4.340 -0.013 0.000 0.204 740 Q C 2.030 177.995 176.000 -0.058 0.000 0.981 740 Q CA 1.788 57.526 55.803 -0.108 0.000 0.856 740 Q CB -0.067 28.606 28.738 -0.108 0.000 0.902 740 Q HN 0.490 nan 8.270 nan 0.000 0.425 741 I N 0.029 120.566 120.570 -0.054 0.000 2.163 741 I HA -0.269 3.894 4.170 -0.013 0.000 0.240 741 I C 2.134 178.297 176.117 0.077 0.000 1.081 741 I CA 0.752 62.065 61.300 0.021 0.000 1.353 741 I CB -0.182 37.811 38.000 -0.013 0.000 1.054 741 I HN 0.201 nan 8.210 nan 0.000 0.407 742 I N 0.804 121.416 120.570 0.069 0.000 2.335 742 I HA -0.284 3.878 4.170 -0.013 0.000 0.251 742 I C 2.333 178.557 176.117 0.178 0.000 1.129 742 I CA 1.648 63.048 61.300 0.166 0.000 1.402 742 I CB -0.335 37.837 38.000 0.288 0.000 1.069 742 I HN 0.217 nan 8.210 nan 0.000 0.424 743 E N -0.539 119.749 120.200 0.148 0.000 2.285 743 E HA -0.181 4.162 4.350 -0.013 0.000 0.194 743 E C 2.058 178.729 176.600 0.118 0.000 0.997 743 E CA 0.432 56.911 56.400 0.131 0.000 0.845 743 E CB -0.031 29.726 29.700 0.096 0.000 0.782 743 E HN 0.583 nan 8.360 nan 0.000 0.491 744 Q N 0.536 120.404 119.800 0.113 0.000 2.083 744 Q HA -0.046 4.286 4.340 -0.013 0.000 0.198 744 Q C 2.268 178.456 176.000 0.314 0.000 0.969 744 Q CA 0.774 56.660 55.803 0.139 0.000 0.838 744 Q CB 0.158 28.939 28.738 0.072 0.000 0.900 744 Q HN 0.267 nan 8.270 nan 0.000 0.436 745 L N -0.328 121.089 121.223 0.324 0.000 2.017 745 L HA -0.183 4.149 4.340 -0.013 0.000 0.208 745 L C 2.396 179.447 176.870 0.301 0.000 1.073 745 L CA 0.974 56.014 54.840 0.332 0.000 0.745 745 L CB -0.392 41.783 42.059 0.192 0.000 0.894 745 L HN 0.157 nan 8.230 nan 0.000 0.432 746 S N -0.441 115.394 115.700 0.224 0.000 2.419 746 S HA -0.121 4.342 4.470 -0.013 0.000 0.233 746 S C 1.903 176.603 174.600 0.167 0.000 1.016 746 S CA 1.469 59.779 58.200 0.184 0.000 0.974 746 S CB -0.091 63.197 63.200 0.147 0.000 0.786 746 S HN 0.596 nan 8.310 nan 0.000 0.492 747 S N -0.355 115.448 115.700 0.172 0.000 2.556 747 S HA 0.437 4.899 4.470 -0.013 0.000 0.216 747 S C 1.226 175.917 174.600 0.152 0.000 0.970 747 S CA 0.519 58.805 58.200 0.142 0.000 0.912 747 S CB 0.420 63.692 63.200 0.120 0.000 0.790 747 S HN 0.665 nan 8.310 nan 0.000 0.504 748 G N 1.058 109.979 108.800 0.201 0.000 2.132 748 G HA2 -0.318 3.635 3.960 -0.013 0.000 0.234 748 G HA3 -0.318 3.635 3.960 -0.013 0.000 0.234 748 G C 0.226 175.210 174.900 0.139 0.000 0.989 748 G CA 0.152 45.359 45.100 0.178 0.000 0.676 748 G HN 0.569 nan 8.290 nan 0.000 0.522 749 F N 0.369 120.319 119.950 0.001 0.000 2.161 749 F HA 0.190 4.709 4.527 -0.013 0.000 0.300 749 F C 1.864 177.472 175.800 -0.320 0.000 1.089 749 F CA 1.942 59.823 58.000 -0.198 0.000 1.282 749 F CB -0.098 38.700 39.000 -0.337 0.000 1.010 749 F HN 0.157 nan 8.300 nan 0.000 0.485 750 F N -0.247 119.751 119.950 0.079 0.000 2.727 750 F HA 0.203 4.722 4.527 -0.013 0.000 0.302 750 F C 0.738 176.603 175.800 0.108 0.000 1.097 750 F CA 0.347 58.345 58.000 -0.002 0.000 1.330 750 F CB -0.149 38.866 39.000 0.024 0.000 1.084 750 F HN -0.009 nan 8.300 nan 0.000 0.578 751 S N -1.682 114.167 115.700 0.249 0.000 2.440 751 S HA 0.330 4.792 4.470 -0.013 0.000 0.142 751 S C -2.461 172.173 174.600 0.056 0.000 1.578 751 S CA -1.100 57.197 58.200 0.160 0.000 1.260 751 S CB 1.038 64.331 63.200 0.155 0.000 1.407 751 S HN -0.195 nan 8.310 nan 0.000 0.392 752 P HA -0.140 nan 4.420 nan 0.000 0.213 752 P C 1.265 178.564 177.300 -0.001 0.000 1.170 752 P CA 1.497 64.586 63.100 -0.018 0.000 0.902 752 P CB 0.084 31.750 31.700 -0.056 0.000 0.789 753 K N -0.874 119.524 120.400 -0.004 0.000 2.097 753 K HA -0.115 4.197 4.320 -0.013 0.000 0.206 753 K C 0.711 177.314 176.600 0.005 0.000 1.049 753 K CA 1.119 57.407 56.287 0.001 0.000 0.933 753 K CB -0.285 32.216 32.500 0.002 0.000 0.717 753 K HN 0.345 nan 8.250 nan 0.000 0.442 754 Q N -0.189 119.613 119.800 0.002 0.000 2.700 754 Q HA 0.154 4.486 4.340 -0.013 0.000 0.249 754 Q C -2.303 173.696 176.000 -0.003 0.000 1.033 754 Q CA -1.658 54.142 55.803 -0.006 0.000 0.804 754 Q CB 1.557 30.282 28.738 -0.022 0.000 1.164 754 Q HN -0.070 nan 8.270 nan 0.000 0.500 755 P HA -0.232 nan 4.420 nan 0.000 0.217 755 P C 0.622 177.963 177.300 0.070 0.000 1.148 755 P CA 1.418 64.553 63.100 0.058 0.000 0.828 755 P CB 0.225 31.957 31.700 0.054 0.000 0.783 756 D N -1.143 119.279 120.400 0.038 0.000 2.340 756 D HA -0.014 4.618 4.640 -0.013 0.000 0.217 756 D C 1.657 177.959 176.300 0.004 0.000 1.081 756 D CA -0.208 53.820 54.000 0.047 0.000 0.842 756 D CB -0.519 40.308 40.800 0.045 0.000 0.934 756 D HN 0.013 nan 8.370 nan 0.000 0.511 757 L N 0.268 121.431 121.223 -0.099 0.000 2.051 757 L HA -0.149 4.184 4.340 -0.013 0.000 0.214 757 L C 0.982 177.629 176.870 -0.371 0.000 1.076 757 L CA 1.700 56.357 54.840 -0.304 0.000 0.758 757 L CB -0.675 41.025 42.059 -0.599 0.000 0.890 757 L HN -0.061 nan 8.230 nan 0.000 0.433 758 F N -0.293 119.711 119.950 0.090 0.000 2.713 758 F HA 0.184 4.703 4.527 -0.013 0.000 0.294 758 F C 1.757 177.610 175.800 0.087 0.000 1.152 758 F CA -0.014 58.030 58.000 0.074 0.000 1.385 758 F CB -0.772 38.261 39.000 0.055 0.000 0.981 758 F HN 0.168 nan 8.300 nan 0.000 0.514 759 K N -0.862 119.655 120.400 0.194 0.000 2.148 759 K HA -0.126 4.187 4.320 -0.013 0.000 0.204 759 K C 1.007 177.711 176.600 0.174 0.000 1.050 759 K CA 1.706 58.093 56.287 0.167 0.000 0.942 759 K CB -0.157 32.417 32.500 0.123 0.000 0.724 759 K HN 0.022 nan 8.250 nan 0.000 0.446 760 D N 1.275 121.789 120.400 0.190 0.000 2.144 760 D HA -0.056 4.577 4.640 -0.013 0.000 0.200 760 D C 1.988 178.402 176.300 0.191 0.000 0.978 760 D CA 1.022 55.147 54.000 0.208 0.000 0.833 760 D CB -0.084 40.872 40.800 0.261 0.000 0.961 760 D HN 0.279 nan 8.370 nan 0.000 0.470 761 I N 0.402 121.082 120.570 0.183 0.000 2.202 761 I HA -0.220 3.943 4.170 -0.013 0.000 0.242 761 I C 2.445 178.623 176.117 0.102 0.000 1.091 761 I CA 0.620 61.999 61.300 0.132 0.000 1.368 761 I CB -0.206 37.869 38.000 0.124 0.000 1.058 761 I HN -0.126 nan 8.210 nan 0.000 0.410 762 V N 0.932 120.921 119.914 0.126 0.000 2.295 762 V HA -0.329 3.784 4.120 -0.013 0.000 0.246 762 V C 2.176 178.295 176.094 0.042 0.000 1.049 762 V CA 2.528 64.886 62.300 0.096 0.000 1.024 762 V CB -1.022 30.876 31.823 0.125 0.000 0.648 762 V HN 0.493 nan 8.190 nan 0.000 0.447 763 N N -0.443 118.314 118.700 0.095 0.000 2.061 763 N HA -0.265 4.467 4.740 -0.013 0.000 0.193 763 N C 1.973 177.476 175.510 -0.011 0.000 1.030 763 N CA 2.041 55.164 53.050 0.121 0.000 0.856 763 N CB -0.177 38.437 38.487 0.211 0.000 1.023 763 N HN 0.395 nan 8.380 nan 0.000 0.424 764 M N 0.054 119.691 119.600 0.062 0.000 2.067 764 M HA -0.140 4.332 4.480 -0.013 0.000 0.260 764 M C 1.645 177.873 176.300 -0.119 0.000 1.069 764 M CA 1.340 56.679 55.300 0.064 0.000 1.117 764 M CB -0.508 32.209 32.600 0.195 0.000 1.334 764 M HN 0.239 nan 8.290 nan 0.000 0.407 765 L N 1.052 122.193 121.223 -0.135 0.000 2.043 765 L HA -0.261 4.071 4.340 -0.013 0.000 0.212 765 L C 2.496 179.078 176.870 -0.479 0.000 1.075 765 L CA 1.850 56.490 54.840 -0.332 0.000 0.752 765 L CB -1.148 40.749 42.059 -0.271 0.000 0.891 765 L HN 0.406 nan 8.230 nan 0.000 0.432 766 M N -2.014 117.350 119.600 -0.394 0.000 2.236 766 M HA -0.076 4.396 4.480 -0.013 0.000 0.266 766 M C 1.960 177.840 176.300 -0.699 0.000 1.070 766 M CA 1.391 56.369 55.300 -0.536 0.000 1.137 766 M CB -0.846 31.336 32.600 -0.695 0.000 1.378 766 M HN 0.352 nan 8.290 nan 0.000 0.426 767 H N -1.711 117.148 119.070 -0.352 0.000 2.855 767 H HA 0.195 4.744 4.556 -0.013 0.000 0.259 767 H C 0.123 175.189 175.328 -0.436 0.000 0.972 767 H CA 0.620 56.403 56.048 -0.441 0.000 1.213 767 H CB 0.254 29.702 29.762 -0.522 0.000 1.451 767 H HN 0.569 nan 8.280 nan 0.000 0.484 768 H N -0.388 118.748 119.070 0.111 0.000 2.779 768 H HA 0.182 4.730 4.556 -0.013 0.000 0.230 768 H C -0.840 174.509 175.328 0.035 0.000 1.365 768 H CA -0.483 55.612 56.048 0.080 0.000 1.086 768 H CB 0.437 30.250 29.762 0.084 0.000 2.038 768 H HN -0.066 nan 8.280 nan 0.000 0.558 769 D N 1.546 121.980 120.400 0.056 0.000 2.422 769 D HA 0.090 4.722 4.640 -0.013 0.000 0.227 769 D C 0.938 177.153 176.300 -0.141 0.000 1.190 769 D CA -0.209 53.785 54.000 -0.012 0.000 0.905 769 D CB 0.583 41.344 40.800 -0.065 0.000 1.034 769 D HN 0.407 nan 8.370 nan 0.000 0.507 770 R N 2.261 122.595 120.500 -0.278 0.000 2.237 770 R HA -0.050 4.283 4.340 -0.013 0.000 0.219 770 R C 0.536 176.258 176.300 -0.963 0.000 1.080 770 R CA 0.821 56.525 56.100 -0.660 0.000 0.995 770 R CB 0.139 29.860 30.300 -0.965 0.000 0.875 770 R HN 0.392 nan 8.270 nan 0.000 0.462 771 F N 1.454 121.348 119.950 -0.093 0.000 2.708 771 F HA 0.213 4.732 4.527 -0.013 0.000 0.300 771 F C -0.036 175.628 175.800 -0.227 0.000 1.118 771 F CA -0.897 57.034 58.000 -0.115 0.000 1.307 771 F CB 0.138 39.132 39.000 -0.011 0.000 0.986 771 F HN -0.194 nan 8.300 nan 0.000 0.522 772 K N -0.688 119.474 120.400 -0.398 0.000 4.166 772 K HA -0.204 4.108 4.320 -0.013 0.000 0.276 772 K C 0.742 177.205 176.600 -0.227 0.000 0.808 772 K CA 0.228 56.117 56.287 -0.662 0.000 0.717 772 K CB -1.808 30.099 32.500 -0.988 0.000 1.774 772 K HN 0.302 nan 8.250 nan 0.000 0.427 773 V N 0.730 120.578 119.914 -0.109 0.000 2.343 773 V HA -0.249 3.864 4.120 -0.013 0.000 0.247 773 V C 2.108 178.324 176.094 0.204 0.000 1.051 773 V CA 1.878 64.197 62.300 0.031 0.000 1.036 773 V CB -0.581 31.251 31.823 0.016 0.000 0.654 773 V HN 0.504 nan 8.190 nan 0.000 0.451 774 F N 0.913 120.868 119.950 0.008 0.000 2.171 774 F HA -0.094 4.426 4.527 -0.013 0.000 0.300 774 F C 2.511 178.127 175.800 -0.308 0.000 1.090 774 F CA 0.850 58.807 58.000 -0.071 0.000 1.293 774 F CB -1.593 37.379 39.000 -0.045 0.000 1.013 774 F HN 0.162 nan 8.300 nan 0.000 0.486 775 A N -0.466 122.200 122.820 -0.256 0.000 2.024 775 A HA -0.195 4.117 4.320 -0.013 0.000 0.220 775 A C 1.651 179.239 177.584 0.007 0.000 1.164 775 A CA 2.124 53.939 52.037 -0.371 0.000 0.643 775 A CB -0.588 18.334 19.000 -0.130 0.000 0.806 775 A HN 0.251 nan 8.150 nan 0.000 0.451 776 D N -3.015 117.450 120.400 0.109 0.000 2.398 776 D HA 0.112 4.744 4.640 -0.013 0.000 0.210 776 D C 1.098 177.568 176.300 0.283 0.000 1.094 776 D CA -0.093 54.044 54.000 0.228 0.000 0.839 776 D CB -0.106 40.845 40.800 0.250 0.000 0.963 776 D HN 0.568 nan 8.370 nan 0.000 0.506 777 Y N 2.046 122.435 120.300 0.148 0.000 2.097 777 Y HA -0.197 4.346 4.550 -0.012 0.000 0.282 777 Y C 2.020 178.010 175.900 0.151 0.000 1.152 777 Y CA 1.843 60.041 58.100 0.164 0.000 1.136 777 Y CB 0.196 38.731 38.460 0.124 0.000 0.975 777 Y HN -0.099 nan 8.280 nan 0.000 0.498 778 E N -0.008 120.283 120.200 0.151 0.000 2.031 778 E HA -0.259 4.083 4.350 -0.013 0.000 0.193 778 E C 2.190 178.771 176.600 -0.032 0.000 0.994 778 E CA 1.548 57.959 56.400 0.018 0.000 0.800 778 E CB -0.233 29.571 29.700 0.173 0.000 0.752 778 E HN 0.614 nan 8.360 nan 0.000 0.447 779 E N -0.336 119.919 120.200 0.090 0.000 2.204 779 E HA -0.194 4.148 4.350 -0.013 0.000 0.195 779 E C 1.819 178.408 176.600 -0.019 0.000 0.990 779 E CA 0.565 57.034 56.400 0.115 0.000 0.821 779 E CB -0.017 29.844 29.700 0.270 0.000 0.750 779 E HN 0.234 nan 8.360 nan 0.000 0.477 780 Y N 0.591 120.692 120.300 -0.333 0.000 2.153 780 Y HA -0.192 4.350 4.550 -0.013 0.000 0.289 780 Y C 2.204 177.723 175.900 -0.635 0.000 1.127 780 Y CA 1.525 59.126 58.100 -0.832 0.000 1.131 780 Y CB -0.641 37.399 38.460 -0.699 0.000 0.995 780 Y HN -0.029 nan 8.280 nan 0.000 0.505 781 V N -0.346 119.214 119.914 -0.590 0.000 2.515 781 V HA -0.159 3.954 4.120 -0.013 0.000 0.250 781 V C 2.173 178.046 176.094 -0.369 0.000 1.058 781 V CA 2.224 64.196 62.300 -0.547 0.000 1.064 781 V CB -0.601 30.974 31.823 -0.414 0.000 0.675 781 V HN 0.239 nan 8.190 nan 0.000 0.461 782 K N 0.004 120.244 120.400 -0.268 0.000 2.026 782 K HA -0.094 4.218 4.320 -0.013 0.000 0.208 782 K C 2.280 178.788 176.600 -0.153 0.000 1.048 782 K CA 1.995 58.193 56.287 -0.149 0.000 0.929 782 K CB -1.274 31.185 32.500 -0.068 0.000 0.713 782 K HN 0.659 nan 8.250 nan 0.000 0.439 783 C N 0.878 120.060 119.300 -0.197 0.000 2.422 783 C HA -0.056 4.396 4.460 -0.013 0.000 0.279 783 C C 2.387 177.199 174.990 -0.296 0.000 1.305 783 C CA 0.634 59.563 59.018 -0.148 0.000 1.757 783 C CB -0.695 26.978 27.740 -0.112 0.000 1.962 783 C HN 0.444 nan 8.230 nan 0.000 0.499 784 Q N 0.384 119.872 119.800 -0.520 0.000 2.167 784 Q HA -0.148 4.184 4.340 -0.013 0.000 0.202 784 Q C 1.967 177.769 176.000 -0.329 0.000 0.970 784 Q CA 1.476 56.924 55.803 -0.591 0.000 0.855 784 Q CB -0.333 27.824 28.738 -0.969 0.000 0.911 784 Q HN 0.754 nan 8.270 nan 0.000 0.438 785 E N 0.169 120.237 120.200 -0.221 0.000 2.150 785 E HA -0.123 4.219 4.350 -0.013 0.000 0.193 785 E C 2.007 178.574 176.600 -0.055 0.000 0.985 785 E CA 0.568 56.902 56.400 -0.110 0.000 0.814 785 E CB 0.089 29.744 29.700 -0.076 0.000 0.752 785 E HN 0.235 nan 8.360 nan 0.000 0.466 786 R N 0.319 120.797 120.500 -0.038 0.000 2.148 786 R HA -0.081 4.251 4.340 -0.013 0.000 0.223 786 R C 2.609 178.971 176.300 0.103 0.000 1.088 786 R CA 1.294 57.447 56.100 0.090 0.000 0.985 786 R CB -0.362 30.061 30.300 0.207 0.000 0.880 786 R HN 0.215 nan 8.270 nan 0.000 0.451 787 V N -1.877 117.906 119.914 -0.218 0.000 2.488 787 V HA -0.061 4.051 4.120 -0.013 0.000 0.246 787 V C 1.950 178.078 176.094 0.057 0.000 1.046 787 V CA 1.628 63.731 62.300 -0.328 0.000 1.053 787 V CB -0.022 31.303 31.823 -0.830 0.000 0.679 787 V HN 0.045 nan 8.190 nan 0.000 0.458 788 S N 0.868 116.539 115.700 -0.048 0.000 2.399 788 S HA -0.003 4.460 4.470 -0.013 0.000 0.231 788 S C 2.237 176.894 174.600 0.094 0.000 1.022 788 S CA 1.600 59.793 58.200 -0.011 0.000 0.983 788 S CB -0.541 62.625 63.200 -0.055 0.000 0.803 788 S HN 0.948 nan 8.310 nan 0.000 0.480 789 A N 1.356 124.241 122.820 0.109 0.000 1.877 789 A HA 0.028 4.340 4.320 -0.013 0.000 0.216 789 A C 2.071 179.771 177.584 0.194 0.000 1.186 789 A CA 1.022 53.140 52.037 0.135 0.000 0.620 789 A CB -0.744 18.329 19.000 0.122 0.000 0.822 789 A HN 0.461 nan 8.150 nan 0.000 0.443 790 L N -1.843 119.562 121.223 0.305 0.000 2.141 790 L HA -0.151 4.181 4.340 -0.013 0.000 0.209 790 L C 2.422 179.585 176.870 0.487 0.000 1.094 790 L CA 1.755 56.855 54.840 0.434 0.000 0.763 790 L CB -0.429 42.004 42.059 0.624 0.000 0.908 790 L HN 0.613 nan 8.230 nan 0.000 0.437 791 Y N 0.867 121.266 120.300 0.167 0.000 2.352 791 Y HA -0.241 4.302 4.550 -0.012 0.000 0.292 791 Y C 2.425 178.229 175.900 -0.160 0.000 1.136 791 Y CA 1.506 59.401 58.100 -0.343 0.000 1.227 791 Y CB -0.032 37.994 38.460 -0.723 0.000 0.991 791 Y HN 0.041 nan 8.280 nan 0.000 0.545 792 K N 0.056 120.465 120.400 0.014 0.000 2.442 792 K HA -0.121 4.192 4.320 -0.013 0.000 0.198 792 K C 0.338 176.908 176.600 -0.051 0.000 1.042 792 K CA 0.676 56.960 56.287 -0.005 0.000 0.958 792 K CB -0.082 32.466 32.500 0.081 0.000 0.766 792 K HN 0.049 nan 8.250 nan 0.000 0.474 793 N N 0.329 119.019 118.700 -0.016 0.000 2.976 793 N HA 0.137 4.870 4.740 -0.013 0.000 0.255 793 N C -2.438 173.073 175.510 0.001 0.000 1.312 793 N CA -2.224 50.830 53.050 0.006 0.000 0.897 793 N CB 1.030 39.558 38.487 0.068 0.000 1.184 793 N HN -0.182 nan 8.380 nan 0.000 0.497 794 P HA -0.237 nan 4.420 nan 0.000 0.219 794 P C 1.397 178.710 177.300 0.021 0.000 1.161 794 P CA 1.375 64.402 63.100 -0.121 0.000 0.909 794 P CB 0.322 31.926 31.700 -0.160 0.000 0.793 795 R N -0.382 120.129 120.500 0.019 0.000 2.096 795 R HA -0.163 4.170 4.340 -0.013 0.000 0.235 795 R C 1.931 178.275 176.300 0.073 0.000 1.127 795 R CA 1.381 57.505 56.100 0.040 0.000 0.968 795 R CB -0.267 30.047 30.300 0.024 0.000 0.861 795 R HN 0.137 nan 8.270 nan 0.000 0.440 796 E N -0.445 119.811 120.200 0.094 0.000 2.230 796 E HA -0.180 4.162 4.350 -0.013 0.000 0.192 796 E C 1.532 178.217 176.600 0.142 0.000 0.987 796 E CA 0.440 56.899 56.400 0.100 0.000 0.841 796 E CB -0.329 29.428 29.700 0.094 0.000 0.783 796 E HN 0.493 nan 8.360 nan 0.000 0.481 797 W N 2.150 123.453 121.300 0.006 0.000 2.379 797 W HA -0.149 4.503 4.660 -0.014 0.000 0.307 797 W C 1.476 178.010 176.519 0.025 0.000 1.200 797 W CA 1.953 59.319 57.345 0.036 0.000 1.297 797 W CB -0.289 29.171 29.460 0.001 0.000 1.140 797 W HN 0.015 nan 8.180 nan 0.000 0.507 798 T N 1.118 115.823 114.554 0.251 0.000 2.867 798 T HA -0.148 4.195 4.350 -0.013 0.000 0.268 798 T C 1.809 176.534 174.700 0.043 0.000 1.057 798 T CA 1.405 63.584 62.100 0.131 0.000 1.136 798 T CB -0.243 68.681 68.868 0.093 0.000 0.874 798 T HN 0.176 nan 8.240 nan 0.000 0.466 799 R N 0.303 120.830 120.500 0.044 0.000 2.115 799 R HA 0.195 4.528 4.340 -0.013 0.000 0.226 799 R C 2.453 178.749 176.300 -0.005 0.000 1.100 799 R CA 0.884 57.006 56.100 0.036 0.000 0.980 799 R CB -0.267 30.058 30.300 0.041 0.000 0.875 799 R HN 0.353 nan 8.270 nan 0.000 0.445 800 M N 0.441 120.003 119.600 -0.065 0.000 2.254 800 M HA -0.111 4.361 4.480 -0.013 0.000 0.265 800 M C 1.870 178.085 176.300 -0.140 0.000 1.066 800 M CA 1.216 56.438 55.300 -0.130 0.000 1.123 800 M CB 0.244 32.704 32.600 -0.233 0.000 1.388 800 M HN -0.027 nan 8.290 nan 0.000 0.425 801 V N 0.915 120.736 119.914 -0.156 0.000 2.261 801 V HA -0.305 3.808 4.120 -0.013 0.000 0.246 801 V C 2.159 178.241 176.094 -0.019 0.000 1.047 801 V CA 2.024 64.260 62.300 -0.107 0.000 1.015 801 V CB -0.540 31.250 31.823 -0.055 0.000 0.642 801 V HN 0.496 nan 8.190 nan 0.000 0.446 802 I N -0.557 120.024 120.570 0.019 0.000 2.423 802 I HA -0.264 3.898 4.170 -0.013 0.000 0.254 802 I C 2.604 178.770 176.117 0.082 0.000 1.151 802 I CA 1.382 62.736 61.300 0.090 0.000 1.421 802 I CB -0.307 37.794 38.000 0.168 0.000 1.079 802 I HN 0.174 nan 8.210 nan 0.000 0.431 803 R N 0.668 121.192 120.500 0.040 0.000 2.119 803 R HA -0.031 4.301 4.340 -0.013 0.000 0.222 803 R C 2.046 178.378 176.300 0.052 0.000 1.088 803 R CA 1.007 57.129 56.100 0.038 0.000 0.984 803 R CB -0.146 30.159 30.300 0.008 0.000 0.884 803 R HN 0.403 nan 8.270 nan 0.000 0.447 804 N N -0.130 118.595 118.700 0.041 0.000 2.132 804 N HA -0.080 4.652 4.740 -0.013 0.000 0.187 804 N C 1.791 177.358 175.510 0.095 0.000 1.038 804 N CA 1.423 54.519 53.050 0.076 0.000 0.846 804 N CB -0.025 38.477 38.487 0.027 0.000 1.012 804 N HN 0.125 nan 8.380 nan 0.000 0.429 805 I N 1.774 122.389 120.570 0.075 0.000 2.151 805 I HA -0.264 3.898 4.170 -0.013 0.000 0.243 805 I C 2.366 178.532 176.117 0.082 0.000 1.080 805 I CA 1.120 62.468 61.300 0.081 0.000 1.339 805 I CB -0.303 37.739 38.000 0.069 0.000 1.039 805 I HN 0.100 nan 8.210 nan 0.000 0.409 806 A N -1.203 121.665 122.820 0.080 0.000 2.125 806 A HA -0.172 4.141 4.320 -0.013 0.000 0.219 806 A C 2.204 179.824 177.584 0.060 0.000 1.156 806 A CA 2.057 54.132 52.037 0.064 0.000 0.671 806 A CB -0.556 18.487 19.000 0.072 0.000 0.794 806 A HN 0.397 nan 8.150 nan 0.000 0.459 807 T N -1.054 113.550 114.554 0.083 0.000 3.085 807 T HA 0.123 4.466 4.350 -0.013 0.000 0.264 807 T C 1.547 176.330 174.700 0.139 0.000 1.019 807 T CA 0.716 62.869 62.100 0.088 0.000 0.910 807 T CB -0.366 68.555 68.868 0.087 0.000 1.059 807 T HN 0.620 nan 8.240 nan 0.000 0.542 808 S N -0.686 115.116 115.700 0.171 0.000 2.527 808 S HA 0.149 4.611 4.470 -0.013 0.000 0.222 808 S C 2.338 177.057 174.600 0.198 0.000 0.985 808 S CA 0.634 59.007 58.200 0.289 0.000 0.921 808 S CB -0.477 62.876 63.200 0.254 0.000 0.772 808 S HN 0.445 nan 8.310 nan 0.000 0.529 809 G N 2.874 111.724 108.800 0.083 0.000 2.597 809 G HA2 -0.359 3.594 3.960 -0.013 0.000 0.222 809 G HA3 -0.359 3.594 3.960 -0.013 0.000 0.222 809 G C 1.327 176.186 174.900 -0.068 0.000 1.135 809 G CA 1.237 46.355 45.100 0.031 0.000 0.759 809 G HN 0.583 nan 8.290 nan 0.000 0.595 810 K N -0.195 120.054 120.400 -0.251 0.000 2.360 810 K HA -0.046 4.267 4.320 -0.013 0.000 0.201 810 K C 0.940 177.204 176.600 -0.559 0.000 1.046 810 K CA 0.595 56.595 56.287 -0.478 0.000 0.940 810 K CB -0.225 31.825 32.500 -0.751 0.000 0.748 810 K HN 0.382 nan 8.250 nan 0.000 0.465 811 F N 0.874 120.854 119.950 0.051 0.000 2.663 811 F HA 0.158 4.677 4.527 -0.013 0.000 0.299 811 F C 0.790 176.635 175.800 0.076 0.000 1.143 811 F CA -0.366 57.670 58.000 0.060 0.000 1.387 811 F CB 0.128 39.160 39.000 0.052 0.000 1.019 811 F HN -0.149 nan 8.300 nan 0.000 0.523 812 S N -0.161 115.625 115.700 0.144 0.000 2.562 812 S HA 0.174 4.636 4.470 -0.013 0.000 0.275 812 S C 1.365 176.054 174.600 0.149 0.000 1.281 812 S CA -0.232 58.052 58.200 0.140 0.000 1.045 812 S CB 0.975 64.228 63.200 0.089 0.000 0.962 812 S HN 0.278 nan 8.310 nan 0.000 0.503 813 S N 3.106 118.917 115.700 0.185 0.000 2.507 813 S HA -0.057 4.405 4.470 -0.013 0.000 0.235 813 S C 0.914 175.589 174.600 0.125 0.000 0.988 813 S CA 0.559 58.897 58.200 0.231 0.000 0.944 813 S CB -0.368 63.031 63.200 0.331 0.000 0.762 813 S HN 0.785 nan 8.310 nan 0.000 0.526 814 D N 1.887 122.337 120.400 0.084 0.000 2.117 814 D HA -0.067 4.566 4.640 -0.013 0.000 0.198 814 D C 2.085 178.401 176.300 0.027 0.000 0.982 814 D CA 0.736 54.762 54.000 0.044 0.000 0.828 814 D CB -0.282 40.539 40.800 0.034 0.000 0.967 814 D HN 0.257 nan 8.370 nan 0.000 0.464 815 R N 0.708 121.225 120.500 0.029 0.000 2.066 815 R HA -0.086 4.247 4.340 -0.013 0.000 0.232 815 R C 1.862 178.165 176.300 0.004 0.000 1.131 815 R CA 1.392 57.493 56.100 0.003 0.000 0.955 815 R CB -0.671 29.617 30.300 -0.020 0.000 0.851 815 R HN 0.136 nan 8.270 nan 0.000 0.432 816 T N 2.115 116.699 114.554 0.050 0.000 2.684 816 T HA -0.122 4.220 4.350 -0.013 0.000 0.267 816 T C 1.932 176.659 174.700 0.044 0.000 1.036 816 T CA 1.316 63.467 62.100 0.085 0.000 1.148 816 T CB -0.130 68.887 68.868 0.249 0.000 0.863 816 T HN 0.091 nan 8.240 nan 0.000 0.436 817 I N 1.830 122.362 120.570 -0.064 0.000 2.226 817 I HA -0.071 4.091 4.170 -0.013 0.000 0.245 817 I C 2.905 179.000 176.117 -0.038 0.000 1.100 817 I CA 0.839 62.062 61.300 -0.128 0.000 1.374 817 I CB -1.678 36.249 38.000 -0.123 0.000 1.057 817 I HN 0.202 nan 8.210 nan 0.000 0.413 818 A N -0.165 122.645 122.820 -0.018 0.000 2.019 818 A HA -0.221 4.091 4.320 -0.013 0.000 0.219 818 A C 2.259 179.814 177.584 -0.048 0.000 1.164 818 A CA 1.357 53.387 52.037 -0.011 0.000 0.644 818 A CB -0.470 18.527 19.000 -0.006 0.000 0.805 818 A HN 0.515 nan 8.150 nan 0.000 0.449 819 Q N -2.048 117.700 119.800 -0.087 0.000 2.096 819 Q HA -0.100 4.232 4.340 -0.013 0.000 0.197 819 Q C 1.859 177.707 176.000 -0.254 0.000 0.964 819 Q CA 1.303 57.014 55.803 -0.154 0.000 0.838 819 Q CB -0.233 28.394 28.738 -0.185 0.000 0.906 819 Q HN 0.794 nan 8.270 nan 0.000 0.444 820 Y N 0.656 120.695 120.300 -0.435 0.000 2.128 820 Y HA -0.305 4.237 4.550 -0.013 0.000 0.284 820 Y C 2.410 177.810 175.900 -0.833 0.000 1.154 820 Y CA 1.392 59.003 58.100 -0.814 0.000 1.149 820 Y CB -0.476 37.208 38.460 -1.293 0.000 0.976 820 Y HN 0.169 nan 8.280 nan 0.000 0.505 821 A N 0.372 123.021 122.820 -0.285 0.000 1.865 821 A HA -0.250 4.062 4.320 -0.013 0.000 0.217 821 A C 2.269 179.883 177.584 0.050 0.000 1.191 821 A CA 2.244 54.328 52.037 0.078 0.000 0.623 821 A CB -0.605 18.494 19.000 0.166 0.000 0.826 821 A HN 0.453 nan 8.150 nan 0.000 0.444 822 R N -0.677 119.813 120.500 -0.017 0.000 2.075 822 R HA -0.029 4.304 4.340 -0.013 0.000 0.226 822 R C 1.916 178.201 176.300 -0.024 0.000 1.114 822 R CA 1.445 57.541 56.100 -0.005 0.000 0.972 822 R CB -0.240 30.050 30.300 -0.017 0.000 0.869 822 R HN 0.664 nan 8.270 nan 0.000 0.437 823 E N -0.164 119.984 120.200 -0.086 0.000 2.400 823 E HA 0.072 4.414 4.350 -0.013 0.000 0.195 823 E C 1.543 178.103 176.600 -0.068 0.000 1.012 823 E CA 0.544 56.895 56.400 -0.082 0.000 0.875 823 E CB 0.446 30.069 29.700 -0.129 0.000 0.859 823 E HN 0.324 nan 8.360 nan 0.000 0.498 824 I N -1.224 119.270 120.570 -0.127 0.000 3.570 824 I HA 0.020 4.182 4.170 -0.013 0.000 0.270 824 I C 1.424 177.653 176.117 0.186 0.000 1.162 824 I CA -0.072 61.196 61.300 -0.055 0.000 1.413 824 I CB 0.084 37.905 38.000 -0.298 0.000 1.437 824 I HN 0.114 nan 8.210 nan 0.000 0.457 825 W N 1.729 123.121 121.300 0.153 0.000 2.518 825 W HA 0.250 4.902 4.660 -0.013 0.000 0.273 825 W C 1.519 178.080 176.519 0.070 0.000 1.247 825 W CA 1.023 58.440 57.345 0.120 0.000 1.288 825 W CB -1.104 28.410 29.460 0.089 0.000 1.107 825 W HN 0.354 nan 8.180 nan 0.000 0.586 826 G N 0.914 109.855 108.800 0.236 0.000 2.256 826 G HA2 -0.093 3.859 3.960 -0.013 0.000 0.272 826 G HA3 -0.093 3.859 3.960 -0.013 0.000 0.272 826 G C -0.325 174.651 174.900 0.127 0.000 1.076 826 G CA 0.187 45.370 45.100 0.139 0.000 0.882 826 G HN 0.406 nan 8.290 nan 0.000 0.497 827 V N -4.417 115.587 119.914 0.151 0.000 3.040 827 V HA 0.928 5.041 4.120 -0.013 0.000 0.312 827 V C -0.456 175.695 176.094 0.095 0.000 1.115 827 V CA -1.672 60.697 62.300 0.115 0.000 0.998 827 V CB 2.362 34.261 31.823 0.128 0.000 1.042 827 V HN 0.119 nan 8.190 nan 0.000 0.433 828 E N 3.385 123.626 120.200 0.067 0.000 2.113 828 E HA 0.521 4.863 4.350 -0.013 0.000 0.273 828 E C -2.503 174.129 176.600 0.054 0.000 0.924 828 E CA -1.758 54.674 56.400 0.054 0.000 0.764 828 E CB 1.825 31.549 29.700 0.041 0.000 1.104 828 E HN 0.749 nan 8.360 nan 0.000 0.406 829 P HA 0.047 nan 4.420 nan 0.000 0.270 829 P C -0.457 176.868 177.300 0.041 0.000 1.227 829 P CA -0.210 62.920 63.100 0.050 0.000 0.788 829 P CB 0.756 32.483 31.700 0.045 0.000 0.926 830 S N 0.566 116.291 115.700 0.041 0.000 2.603 830 S HA 0.307 4.769 4.470 -0.013 0.000 0.274 830 S C -0.051 174.569 174.600 0.034 0.000 1.168 830 S CA -0.879 57.343 58.200 0.037 0.000 0.963 830 S CB 1.053 64.278 63.200 0.043 0.000 1.078 830 S HN 0.304 nan 8.310 nan 0.000 0.477 831 R N 2.802 123.319 120.500 0.029 0.000 2.978 831 R HA 0.210 4.542 4.340 -0.013 0.000 0.298 831 R C -0.181 176.130 176.300 0.017 0.000 1.296 831 R CA -0.092 56.024 56.100 0.027 0.000 1.181 831 R CB 0.153 30.471 30.300 0.031 0.000 1.348 831 R HN 0.656 nan 8.270 nan 0.000 0.585 832 Q N 0.973 120.781 119.800 0.014 0.000 2.274 832 Q HA 0.201 4.533 4.340 -0.013 0.000 0.256 832 Q C -0.394 175.597 176.000 -0.015 0.000 0.927 832 Q CA -0.470 55.336 55.803 0.004 0.000 0.939 832 Q CB 1.366 30.110 28.738 0.011 0.000 1.201 832 Q HN -0.098 nan 8.270 nan 0.000 0.426 833 R N 1.753 122.238 120.500 -0.024 0.000 2.484 833 R HA 0.041 4.373 4.340 -0.013 0.000 0.293 833 R C -0.530 175.735 176.300 -0.058 0.000 1.023 833 R CA -0.143 55.931 56.100 -0.043 0.000 1.037 833 R CB 0.094 30.368 30.300 -0.043 0.000 0.951 833 R HN 0.414 nan 8.270 nan 0.000 0.418 834 L N 6.655 127.828 121.223 -0.083 0.000 2.439 834 L HA 0.201 4.533 4.340 -0.013 0.000 0.269 834 L C -1.666 175.148 176.870 -0.093 0.000 1.179 834 L CA -1.845 52.916 54.840 -0.131 0.000 0.828 834 L CB 0.496 42.453 42.059 -0.170 0.000 1.106 834 L HN 0.612 nan 8.230 nan 0.000 0.467 835 P HA 0.011 nan 4.420 nan 0.000 0.208 835 P C 0.032 177.311 177.300 -0.035 0.000 1.341 835 P CA 0.696 63.768 63.100 -0.046 0.000 1.235 835 P CB -0.697 30.986 31.700 -0.027 0.000 1.764 836 A N 4.635 127.435 122.820 -0.034 0.000 6.759 836 A HA -0.177 4.135 4.320 -0.013 0.000 0.308 836 A C -1.342 176.232 177.584 -0.017 0.000 2.086 836 A CA 0.496 52.519 52.037 -0.023 0.000 1.123 836 A CB -1.878 17.115 19.000 -0.011 0.000 1.078 836 A HN 0.368 nan 8.150 nan 0.000 0.457 837 P HA 0.175 nan 4.420 nan 0.000 0.238 837 P C 0.110 177.419 177.300 0.014 0.000 1.183 837 P CA 0.575 63.681 63.100 0.011 0.000 0.813 837 P CB -0.366 31.351 31.700 0.028 0.000 0.944 838 D N 1.807 122.214 120.400 0.011 0.000 6.363 838 D HA -0.193 4.440 4.640 -0.013 0.000 0.146 838 D C 1.456 177.761 176.300 0.009 0.000 1.113 838 D CA 0.761 54.767 54.000 0.011 0.000 0.737 838 D CB 0.168 40.972 40.800 0.007 0.000 1.417 838 D HN 0.092 nan 8.370 nan 0.000 0.812 839 E N 2.959 123.163 120.200 0.008 0.000 2.840 839 E HA -0.444 3.899 4.350 -0.013 0.000 0.222 839 E C 0.172 176.774 176.600 0.004 0.000 0.868 839 E CA 2.756 59.158 56.400 0.004 0.000 1.266 839 E CB -0.252 29.449 29.700 0.001 0.000 1.318 839 E HN 0.894 nan 8.360 nan 0.000 0.486 840 K N -0.591 119.811 120.400 0.003 0.000 7.396 840 K HA -0.164 4.148 4.320 -0.013 0.000 0.647 840 K C -0.606 175.994 176.600 0.001 0.000 2.584 840 K CA 1.243 57.532 56.287 0.004 0.000 1.938 840 K CB -0.638 31.867 32.500 0.009 0.000 1.962 840 K HN 0.335 nan 8.250 nan 0.000 0.295 841 I N 3.320 123.890 120.570 -0.001 0.000 2.642 841 I HA 0.296 4.458 4.170 -0.013 0.000 0.273 841 I C -1.998 174.117 176.117 -0.003 0.000 1.208 841 I CA -1.568 59.729 61.300 -0.005 0.000 1.037 841 I CB 0.394 38.389 38.000 -0.009 0.000 1.253 841 I HN 0.936 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 63.101 63.100 0.002 0.000 0.800 842 P CB 0.000 31.705 31.700 0.009 0.000 0.726