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 1c8k_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 37.970 38.000 -0.049 0.000 1.214 14 S N -0.366 115.328 115.700 -0.010 0.000 2.584 14 S HA 0.154 4.616 4.470 -0.012 0.000 0.275 14 S C -1.581 173.022 174.600 0.005 0.000 0.964 14 S CA 0.079 58.281 58.200 0.002 0.000 1.063 14 S CB 0.913 64.116 63.200 0.004 0.000 1.337 14 S HN 0.167 nan 8.310 nan 0.000 0.459 15 V N 4.150 124.074 119.914 0.017 0.000 2.847 15 V HA 0.395 4.507 4.120 -0.012 0.000 0.364 15 V C 0.820 176.923 176.094 0.014 0.000 1.374 15 V CA -0.011 62.299 62.300 0.017 0.000 1.542 15 V CB -0.880 30.961 31.823 0.031 0.000 1.471 15 V HN 0.583 nan 8.190 nan 0.000 0.557 16 R N 2.084 122.585 120.500 0.003 0.000 2.449 16 R HA 0.436 4.768 4.340 -0.012 0.000 0.262 16 R C 0.871 177.162 176.300 -0.016 0.000 1.006 16 R CA 0.546 56.644 56.100 -0.002 0.000 1.104 16 R CB 0.158 30.453 30.300 -0.008 0.000 1.206 16 R HN 0.693 nan 8.270 nan 0.000 0.538 17 G N 0.726 109.516 108.800 -0.017 0.000 2.655 17 G HA2 -0.190 3.763 3.960 -0.012 0.000 0.680 17 G HA3 -0.190 3.763 3.960 -0.012 0.000 0.680 17 G C -1.152 173.732 174.900 -0.027 0.000 1.302 17 G CA -1.090 43.992 45.100 -0.030 0.000 0.872 17 G HN 0.018 nan 8.290 nan 0.000 0.540 18 L N 0.537 121.742 121.223 -0.030 0.000 2.334 18 L HA 0.710 5.042 4.340 -0.012 0.000 0.277 18 L C 1.290 178.145 176.870 -0.024 0.000 1.075 18 L CA 0.118 54.944 54.840 -0.024 0.000 0.804 18 L CB 1.149 43.195 42.059 -0.021 0.000 1.174 18 L HN 1.521 nan 8.230 nan 0.000 0.438 19 A N 2.694 125.502 122.820 -0.020 0.000 3.175 19 A HA 0.556 4.868 4.320 -0.012 0.000 0.289 19 A C 0.829 178.408 177.584 -0.010 0.000 1.429 19 A CA -0.287 51.740 52.037 -0.017 0.000 1.155 19 A CB -0.756 18.232 19.000 -0.020 0.000 1.169 19 A HN 0.792 nan 8.150 nan 0.000 0.574 20 G N -0.264 108.531 108.800 -0.008 0.000 2.484 20 G HA2 0.293 4.246 3.960 -0.012 0.000 0.235 20 G HA3 0.293 4.246 3.960 -0.012 0.000 0.235 20 G C 1.016 175.920 174.900 0.006 0.000 1.282 20 G CA 0.053 45.152 45.100 -0.001 0.000 0.857 20 G HN 0.430 nan 8.290 nan 0.000 0.571 21 V N 1.827 121.745 119.914 0.008 0.000 2.295 21 V HA -0.153 3.960 4.120 -0.012 0.000 0.246 21 V C 2.678 178.782 176.094 0.018 0.000 1.049 21 V CA 2.368 64.676 62.300 0.012 0.000 1.024 21 V CB -0.658 31.171 31.823 0.011 0.000 0.648 21 V HN 0.768 nan 8.190 nan 0.000 0.447 22 E N 0.272 120.483 120.200 0.019 0.000 2.106 22 E HA -0.155 4.187 4.350 -0.012 0.000 0.192 22 E C 2.062 178.684 176.600 0.036 0.000 0.984 22 E CA 1.337 57.753 56.400 0.026 0.000 0.806 22 E CB -0.260 29.454 29.700 0.024 0.000 0.750 22 E HN 0.640 nan 8.360 nan 0.000 0.458 23 N N -1.160 117.560 118.700 0.034 0.000 2.300 23 N HA -0.084 4.649 4.740 -0.012 0.000 0.179 23 N C 1.418 176.956 175.510 0.046 0.000 1.016 23 N CA 0.556 53.634 53.050 0.047 0.000 0.876 23 N CB 0.284 38.788 38.487 0.029 0.000 0.979 23 N HN -0.048 nan 8.380 nan 0.000 0.432 24 V N 0.044 119.975 119.914 0.030 0.000 2.427 24 V HA -0.185 3.928 4.120 -0.012 0.000 0.248 24 V C 1.917 178.034 176.094 0.037 0.000 1.051 24 V CA 1.660 63.976 62.300 0.027 0.000 1.048 24 V CB -0.646 31.188 31.823 0.018 0.000 0.666 24 V HN 0.408 nan 8.190 nan 0.000 0.456 25 T N -0.471 114.106 114.554 0.038 0.000 2.777 25 T HA -0.194 4.149 4.350 -0.012 0.000 0.266 25 T C 1.903 176.639 174.700 0.060 0.000 1.040 25 T CA 1.679 63.803 62.100 0.041 0.000 1.141 25 T CB -0.147 68.741 68.868 0.034 0.000 0.868 25 T HN 0.501 nan 8.240 nan 0.000 0.444 26 E N 0.835 121.078 120.200 0.071 0.000 2.077 26 E HA -0.095 4.247 4.350 -0.012 0.000 0.193 26 E C 1.938 178.617 176.600 0.131 0.000 0.989 26 E CA 0.788 57.244 56.400 0.093 0.000 0.800 26 E CB -0.503 29.259 29.700 0.103 0.000 0.746 26 E HN 0.148 nan 8.360 nan 0.000 0.452 27 L N 0.989 122.296 121.223 0.141 0.000 2.012 27 L HA -0.159 4.174 4.340 -0.012 0.000 0.210 27 L C 2.195 179.174 176.870 0.183 0.000 1.073 27 L CA 1.892 56.840 54.840 0.180 0.000 0.748 27 L CB -0.913 41.219 42.059 0.122 0.000 0.891 27 L HN 0.115 nan 8.230 nan 0.000 0.431 28 K N -0.195 120.273 120.400 0.113 0.000 2.063 28 K HA -0.222 4.090 4.320 -0.012 0.000 0.208 28 K C 1.972 178.678 176.600 0.177 0.000 1.048 28 K CA 1.918 58.266 56.287 0.102 0.000 0.928 28 K CB -0.097 32.423 32.500 0.034 0.000 0.713 28 K HN 0.442 nan 8.250 nan 0.000 0.442 29 K N 0.158 120.641 120.400 0.138 0.000 2.097 29 K HA -0.039 4.273 4.320 -0.012 0.000 0.205 29 K C 1.647 178.342 176.600 0.159 0.000 1.050 29 K CA 1.247 57.613 56.287 0.130 0.000 0.938 29 K CB -0.144 32.407 32.500 0.084 0.000 0.718 29 K HN 0.049 nan 8.250 nan 0.000 0.442 30 N N 0.590 119.398 118.700 0.181 0.000 2.270 30 N HA -0.105 4.627 4.740 -0.012 0.000 0.181 30 N C 1.591 177.284 175.510 0.305 0.000 1.016 30 N CA 0.925 54.087 53.050 0.186 0.000 0.870 30 N CB -0.179 38.431 38.487 0.205 0.000 0.979 30 N HN 0.190 nan 8.380 nan 0.000 0.431 31 F N 2.566 122.628 119.950 0.188 0.000 2.102 31 F HA -0.060 4.460 4.527 -0.012 0.000 0.298 31 F C 2.020 177.939 175.800 0.198 0.000 1.105 31 F CA 1.220 59.346 58.000 0.210 0.000 1.239 31 F CB -0.186 38.904 39.000 0.150 0.000 0.991 31 F HN -0.047 nan 8.300 nan 0.000 0.474 32 N N 0.435 119.361 118.700 0.378 0.000 2.188 32 N HA -0.155 4.578 4.740 -0.012 0.000 0.184 32 N C 2.106 177.706 175.510 0.150 0.000 1.018 32 N CA 0.737 53.929 53.050 0.237 0.000 0.858 32 N CB -0.456 38.154 38.487 0.205 0.000 0.989 32 N HN 0.321 nan 8.380 nan 0.000 0.426 33 R N 0.609 121.198 120.500 0.148 0.000 2.080 33 R HA -0.111 4.222 4.340 -0.012 0.000 0.236 33 R C 1.774 178.158 176.300 0.140 0.000 1.137 33 R CA 1.500 57.705 56.100 0.176 0.000 0.943 33 R CB -0.476 29.824 30.300 0.001 0.000 0.846 33 R HN 0.443 nan 8.270 nan 0.000 0.431 34 H N -0.281 118.843 119.070 0.090 0.000 2.387 34 H HA -0.137 4.411 4.556 -0.012 0.000 0.299 34 H C 1.844 177.118 175.328 -0.090 0.000 1.090 34 H CA 1.432 57.467 56.048 -0.022 0.000 1.332 34 H CB 0.021 29.740 29.762 -0.072 0.000 1.386 34 H HN 0.084 nan 8.280 nan 0.000 0.516 35 L N -0.160 121.056 121.223 -0.012 0.000 2.083 35 L HA -0.163 4.170 4.340 -0.012 0.000 0.209 35 L C 2.153 179.004 176.870 -0.031 0.000 1.083 35 L CA 1.793 56.587 54.840 -0.077 0.000 0.752 35 L CB -0.399 41.610 42.059 -0.084 0.000 0.899 35 L HN 0.286 nan 8.230 nan 0.000 0.433 36 H N -1.591 117.400 119.070 -0.131 0.000 2.273 36 H HA -0.033 4.515 4.556 -0.012 0.000 0.311 36 H C 1.808 176.920 175.328 -0.361 0.000 1.057 36 H CA 2.224 58.094 56.048 -0.296 0.000 1.360 36 H CB -0.349 29.142 29.762 -0.451 0.000 1.414 36 H HN 0.270 nan 8.280 nan 0.000 0.516 37 F N -0.310 119.611 119.950 -0.048 0.000 2.259 37 F HA -0.044 4.476 4.527 -0.013 0.000 0.298 37 F C 2.569 178.283 175.800 -0.143 0.000 1.088 37 F CA 1.435 59.356 58.000 -0.132 0.000 1.358 37 F CB -0.400 38.556 39.000 -0.074 0.000 1.040 37 F HN 0.192 nan 8.300 nan 0.000 0.505 38 T N -0.392 114.186 114.554 0.040 0.000 2.901 38 T HA 0.021 4.364 4.350 -0.012 0.000 0.252 38 T C 1.692 176.303 174.700 -0.148 0.000 1.035 38 T CA 0.686 62.744 62.100 -0.071 0.000 1.142 38 T CB -0.174 68.634 68.868 -0.100 0.000 0.869 38 T HN -0.053 nan 8.240 nan 0.000 0.442 39 L N 1.058 122.197 121.223 -0.140 0.000 2.509 39 L HA 0.279 4.611 4.340 -0.012 0.000 0.222 39 L C 0.694 177.471 176.870 -0.155 0.000 1.123 39 L CA 0.312 55.059 54.840 -0.156 0.000 0.856 39 L CB -0.711 41.268 42.059 -0.134 0.000 0.985 39 L HN 0.044 nan 8.230 nan 0.000 0.456 40 V N 0.141 119.945 119.914 -0.183 0.000 5.949 40 V HA -0.300 3.812 4.120 -0.012 0.000 0.287 40 V C 0.515 176.499 176.094 -0.184 0.000 0.603 40 V CA 0.858 63.019 62.300 -0.232 0.000 0.608 40 V CB -2.070 29.641 31.823 -0.187 0.000 0.259 40 V HN 0.405 nan 8.190 nan 0.000 0.742 41 K N 1.322 121.626 120.400 -0.160 0.000 2.466 41 K HA 0.696 5.008 4.320 -0.012 0.000 0.260 41 K C -0.594 175.979 176.600 -0.045 0.000 1.011 41 K CA -0.552 55.674 56.287 -0.102 0.000 0.871 41 K CB 2.876 35.312 32.500 -0.107 0.000 1.404 41 K HN 0.612 nan 8.250 nan 0.000 0.450 42 D N 0.056 120.449 120.400 -0.012 0.000 2.601 42 D HA 0.272 4.904 4.640 -0.012 0.000 0.230 42 D C 0.476 176.808 176.300 0.053 0.000 1.106 42 D CA -0.601 53.424 54.000 0.042 0.000 0.873 42 D CB 1.535 42.357 40.800 0.038 0.000 1.515 42 D HN 0.182 nan 8.370 nan 0.000 0.468 43 R N 0.826 121.387 120.500 0.102 0.000 2.226 43 R HA -0.123 4.209 4.340 -0.012 0.000 0.246 43 R C 1.009 177.382 176.300 0.121 0.000 1.161 43 R CA 0.847 57.043 56.100 0.159 0.000 0.997 43 R CB -0.674 29.721 30.300 0.158 0.000 0.870 43 R HN 0.561 nan 8.270 nan 0.000 0.465 44 N N 0.430 119.171 118.700 0.068 0.000 2.467 44 N HA -0.043 4.690 4.740 -0.012 0.000 0.184 44 N C 1.237 176.767 175.510 0.033 0.000 1.106 44 N CA 1.031 54.111 53.050 0.051 0.000 0.892 44 N CB 0.614 39.121 38.487 0.034 0.000 0.969 44 N HN 0.184 nan 8.380 nan 0.000 0.454 45 V N -3.354 116.568 119.914 0.014 0.000 3.382 45 V HA 0.472 4.585 4.120 -0.012 0.000 0.296 45 V C 0.651 176.716 176.094 -0.049 0.000 1.529 45 V CA -0.641 61.653 62.300 -0.010 0.000 1.048 45 V CB -0.136 31.676 31.823 -0.018 0.000 0.878 45 V HN 0.010 nan 8.190 nan 0.000 0.442 46 A N 2.117 124.885 122.820 -0.087 0.000 2.440 46 A HA 0.631 4.943 4.320 -0.012 0.000 0.251 46 A C 0.687 178.095 177.584 -0.294 0.000 1.089 46 A CA 0.814 52.684 52.037 -0.278 0.000 0.779 46 A CB 0.048 18.750 19.000 -0.496 0.000 1.022 46 A HN 0.791 nan 8.150 nan 0.000 0.492 47 T N -0.002 114.383 114.554 -0.282 0.000 2.948 47 T HA 0.596 4.939 4.350 -0.012 0.000 0.285 47 T C -2.156 172.473 174.700 -0.119 0.000 1.019 47 T CA -1.839 60.192 62.100 -0.115 0.000 1.013 47 T CB 1.343 70.196 68.868 -0.026 0.000 1.117 47 T HN 0.233 nan 8.240 nan 0.000 0.533 48 P HA -0.112 nan 4.420 nan 0.000 0.217 48 P C 1.559 178.975 177.300 0.194 0.000 1.148 48 P CA 1.005 64.252 63.100 0.245 0.000 0.828 48 P CB 0.042 31.848 31.700 0.177 0.000 0.783 49 R N -0.017 120.550 120.500 0.111 0.000 2.096 49 R HA -0.133 4.199 4.340 -0.012 0.000 0.235 49 R C 1.680 178.152 176.300 0.286 0.000 1.127 49 R CA 1.748 57.952 56.100 0.173 0.000 0.968 49 R CB -0.665 29.695 30.300 0.101 0.000 0.861 49 R HN 0.092 nan 8.270 nan 0.000 0.440 50 D N -0.321 120.137 120.400 0.096 0.000 2.117 50 D HA -0.186 4.447 4.640 -0.012 0.000 0.197 50 D C 1.717 178.030 176.300 0.022 0.000 0.987 50 D CA 1.297 55.307 54.000 0.018 0.000 0.829 50 D CB -0.312 40.347 40.800 -0.236 0.000 0.961 50 D HN 0.299 nan 8.370 nan 0.000 0.460 51 Y N 0.138 120.536 120.300 0.163 0.000 2.224 51 Y HA -0.206 4.337 4.550 -0.012 0.000 0.289 51 Y C 2.324 178.353 175.900 0.215 0.000 1.146 51 Y CA 0.321 58.554 58.100 0.222 0.000 1.182 51 Y CB -1.099 37.566 38.460 0.341 0.000 0.983 51 Y HN 0.099 nan 8.280 nan 0.000 0.524 52 Y N -0.600 119.837 120.300 0.227 0.000 2.181 52 Y HA -0.254 4.289 4.550 -0.013 0.000 0.288 52 Y C 1.903 177.770 175.900 -0.055 0.000 1.146 52 Y CA 1.124 59.255 58.100 0.052 0.000 1.164 52 Y CB -1.106 37.277 38.460 -0.129 0.000 0.982 52 Y HN 0.017 nan 8.280 nan 0.000 0.515 53 F N 0.420 120.111 119.950 -0.431 0.000 2.186 53 F HA -0.083 4.437 4.527 -0.012 0.000 0.299 53 F C 2.674 178.294 175.800 -0.299 0.000 1.090 53 F CA 1.439 59.134 58.000 -0.509 0.000 1.307 53 F CB -1.122 37.769 39.000 -0.182 0.000 1.019 53 F HN 0.194 nan 8.300 nan 0.000 0.489 54 A N -0.264 122.504 122.820 -0.088 0.000 1.902 54 A HA -0.176 4.137 4.320 -0.012 0.000 0.217 54 A C 2.116 179.605 177.584 -0.158 0.000 1.181 54 A CA 1.635 53.510 52.037 -0.270 0.000 0.623 54 A CB -1.058 17.426 19.000 -0.861 0.000 0.818 54 A HN 0.344 nan 8.150 nan 0.000 0.443 55 L N -0.290 120.949 121.223 0.027 0.000 2.027 55 L HA 0.003 4.336 4.340 -0.012 0.000 0.206 55 L C 2.672 179.543 176.870 0.001 0.000 1.074 55 L CA 2.163 57.142 54.840 0.232 0.000 0.745 55 L CB -0.939 41.320 42.059 0.334 0.000 0.898 55 L HN 0.333 nan 8.230 nan 0.000 0.433 56 A N -1.185 121.459 122.820 -0.293 0.000 1.908 56 A HA -0.294 4.019 4.320 -0.012 0.000 0.218 56 A C 2.154 179.407 177.584 -0.552 0.000 1.181 56 A CA 2.090 53.844 52.037 -0.472 0.000 0.627 56 A CB -1.137 17.260 19.000 -1.005 0.000 0.818 56 A HN 0.690 nan 8.150 nan 0.000 0.445 57 H N -0.938 117.836 119.070 -0.493 0.000 2.389 57 H HA -0.053 4.496 4.556 -0.012 0.000 0.299 57 H C 2.322 177.379 175.328 -0.452 0.000 1.081 57 H CA 1.920 57.600 56.048 -0.614 0.000 1.345 57 H CB -0.093 29.056 29.762 -1.020 0.000 1.393 57 H HN 0.470 nan 8.280 nan 0.000 0.520 58 T N -0.390 114.098 114.554 -0.109 0.000 2.777 58 T HA -0.120 4.223 4.350 -0.012 0.000 0.266 58 T C 2.225 177.098 174.700 0.288 0.000 1.040 58 T CA 1.253 63.477 62.100 0.206 0.000 1.141 58 T CB -0.309 68.758 68.868 0.332 0.000 0.868 58 T HN 0.099 nan 8.240 nan 0.000 0.444 59 V N 1.646 121.698 119.914 0.231 0.000 2.453 59 V HA -0.096 4.016 4.120 -0.012 0.000 0.247 59 V C 2.616 178.902 176.094 0.320 0.000 1.048 59 V CA 1.527 64.009 62.300 0.304 0.000 1.049 59 V CB -0.616 31.380 31.823 0.288 0.000 0.672 59 V HN 0.387 nan 8.190 nan 0.000 0.457 60 R N 0.295 120.933 120.500 0.230 0.000 2.105 60 R HA -0.219 4.114 4.340 -0.012 0.000 0.239 60 R C 1.916 178.327 176.300 0.185 0.000 1.135 60 R CA 2.099 58.335 56.100 0.227 0.000 0.967 60 R CB -0.446 29.811 30.300 -0.071 0.000 0.861 60 R HN 0.438 nan 8.270 nan 0.000 0.442 61 D N 0.126 120.615 120.400 0.148 0.000 2.123 61 D HA -0.175 4.457 4.640 -0.012 0.000 0.196 61 D C 1.755 178.076 176.300 0.034 0.000 0.992 61 D CA 1.175 55.232 54.000 0.095 0.000 0.833 61 D CB -0.421 40.420 40.800 0.070 0.000 0.954 61 D HN 0.443 nan 8.370 nan 0.000 0.455 62 H N -0.193 118.947 119.070 0.117 0.000 2.518 62 H HA -0.028 4.520 4.556 -0.012 0.000 0.289 62 H C 1.971 177.344 175.328 0.075 0.000 1.051 62 H CA 0.753 56.853 56.048 0.087 0.000 1.280 62 H CB 0.258 30.063 29.762 0.072 0.000 1.380 62 H HN 0.293 nan 8.280 nan 0.000 0.566 63 L N -1.430 119.902 121.223 0.182 0.000 2.693 63 L HA 0.161 4.493 4.340 -0.012 0.000 0.235 63 L C 2.086 179.065 176.870 0.181 0.000 1.127 63 L CA 0.059 54.974 54.840 0.125 0.000 0.914 63 L CB -0.198 41.884 42.059 0.039 0.000 1.193 63 L HN -0.112 nan 8.230 nan 0.000 0.502 64 V N -1.719 118.328 119.914 0.222 0.000 2.427 64 V HA 0.029 4.142 4.120 -0.012 0.000 0.248 64 V C 2.530 178.754 176.094 0.216 0.000 1.051 64 V CA 1.653 64.140 62.300 0.313 0.000 1.048 64 V CB -1.750 30.218 31.823 0.241 0.000 0.666 64 V HN 0.361 nan 8.190 nan 0.000 0.456 65 G N 0.165 109.043 108.800 0.130 0.000 2.446 65 G HA2 -0.249 3.704 3.960 -0.012 0.000 0.217 65 G HA3 -0.249 3.704 3.960 -0.012 0.000 0.217 65 G C 1.806 176.760 174.900 0.090 0.000 1.168 65 G CA 1.047 46.196 45.100 0.083 0.000 0.771 65 G HN 0.495 nan 8.290 nan 0.000 0.551 66 R N -1.475 119.087 120.500 0.103 0.000 2.075 66 R HA -0.057 4.276 4.340 -0.012 0.000 0.232 66 R C 2.261 178.646 176.300 0.142 0.000 1.126 66 R CA 1.021 57.168 56.100 0.078 0.000 0.963 66 R CB -0.359 29.969 30.300 0.046 0.000 0.858 66 R HN 0.475 nan 8.270 nan 0.000 0.435 67 W N 1.530 122.814 121.300 -0.027 0.000 2.335 67 W HA -0.154 4.499 4.660 -0.012 0.000 0.311 67 W C 1.700 178.194 176.519 -0.043 0.000 1.213 67 W CA 1.179 58.504 57.345 -0.033 0.000 1.274 67 W CB -0.715 28.745 29.460 0.001 0.000 1.148 67 W HN -0.004 nan 8.180 nan 0.000 0.498 68 I N 0.813 121.455 120.570 0.120 0.000 2.179 68 I HA -0.363 3.800 4.170 -0.012 0.000 0.242 68 I C 2.643 178.751 176.117 -0.015 0.000 1.088 68 I CA 1.991 63.274 61.300 -0.029 0.000 1.357 68 I CB -0.535 37.451 38.000 -0.023 0.000 1.051 68 I HN -0.041 nan 8.210 nan 0.000 0.409 69 R N -0.155 120.351 120.500 0.010 0.000 2.115 69 R HA -0.053 4.279 4.340 -0.012 0.000 0.226 69 R C 2.078 178.352 176.300 -0.043 0.000 1.100 69 R CA 1.605 57.703 56.100 -0.003 0.000 0.980 69 R CB -1.210 29.088 30.300 -0.002 0.000 0.875 69 R HN 0.269 nan 8.270 nan 0.000 0.445 70 T N 1.679 116.181 114.554 -0.088 0.000 2.674 70 T HA -0.110 4.232 4.350 -0.012 0.000 0.265 70 T C 1.866 176.301 174.700 -0.442 0.000 1.039 70 T CA 1.232 63.163 62.100 -0.281 0.000 1.150 70 T CB -0.102 68.633 68.868 -0.222 0.000 0.864 70 T HN 0.193 nan 8.240 nan 0.000 0.427 71 Q N 0.748 120.431 119.800 -0.195 0.000 2.167 71 Q HA -0.065 4.268 4.340 -0.012 0.000 0.202 71 Q C 2.333 178.347 176.000 0.024 0.000 0.970 71 Q CA 1.216 56.974 55.803 -0.076 0.000 0.855 71 Q CB -0.491 28.234 28.738 -0.023 0.000 0.911 71 Q HN 0.459 nan 8.270 nan 0.000 0.438 72 Q N 0.075 119.884 119.800 0.015 0.000 2.079 72 Q HA -0.166 4.167 4.340 -0.012 0.000 0.200 72 Q C 1.882 177.973 176.000 0.151 0.000 0.974 72 Q CA 1.858 57.717 55.803 0.093 0.000 0.840 72 Q CB -0.395 28.378 28.738 0.058 0.000 0.898 72 Q HN 0.558 nan 8.270 nan 0.000 0.430 73 H N -0.887 118.167 119.070 -0.027 0.000 2.289 73 H HA -0.199 4.350 4.556 -0.012 0.000 0.296 73 H C 1.241 176.646 175.328 0.128 0.000 1.091 73 H CA 2.445 58.490 56.048 -0.006 0.000 1.274 73 H CB -0.363 29.328 29.762 -0.119 0.000 1.364 73 H HN 0.344 nan 8.280 nan 0.000 0.490 74 Y N -0.951 119.428 120.300 0.131 0.000 2.256 74 Y HA -0.217 4.325 4.550 -0.013 0.000 0.288 74 Y C 2.453 178.393 175.900 0.067 0.000 1.155 74 Y CA 1.078 59.223 58.100 0.076 0.000 1.203 74 Y CB -1.336 37.220 38.460 0.161 0.000 0.980 74 Y HN 0.405 nan 8.280 nan 0.000 0.530 75 Y N 1.145 121.538 120.300 0.155 0.000 2.242 75 Y HA -0.146 4.397 4.550 -0.012 0.000 0.291 75 Y C 2.040 177.956 175.900 0.027 0.000 1.137 75 Y CA 1.528 59.681 58.100 0.087 0.000 1.181 75 Y CB -0.073 38.423 38.460 0.060 0.000 0.989 75 Y HN 0.065 nan 8.280 nan 0.000 0.527 76 E N 0.159 120.296 120.200 -0.105 0.000 2.016 76 E HA -0.137 4.206 4.350 -0.012 0.000 0.190 76 E C 1.973 178.444 176.600 -0.215 0.000 0.985 76 E CA 1.020 57.297 56.400 -0.205 0.000 0.802 76 E CB -0.186 29.459 29.700 -0.092 0.000 0.762 76 E HN 0.323 nan 8.360 nan 0.000 0.448 77 K N 0.899 121.167 120.400 -0.220 0.000 2.211 77 K HA -0.101 4.212 4.320 -0.012 0.000 0.203 77 K C 0.211 176.748 176.600 -0.104 0.000 1.050 77 K CA 0.647 56.827 56.287 -0.178 0.000 0.945 77 K CB -0.541 31.810 32.500 -0.249 0.000 0.732 77 K HN 0.119 nan 8.250 nan 0.000 0.451 78 D N 0.392 120.747 120.400 -0.075 0.000 2.737 78 D HA -0.103 4.530 4.640 -0.012 0.000 0.238 78 D C -2.359 173.938 176.300 -0.005 0.000 1.157 78 D CA 0.115 54.097 54.000 -0.030 0.000 0.694 78 D CB -0.213 40.549 40.800 -0.063 0.000 1.021 78 D HN 0.173 nan 8.370 nan 0.000 0.420 79 P HA 0.170 nan 4.420 nan 0.000 0.279 79 P C -0.283 176.994 177.300 -0.039 0.000 1.276 79 P CA -0.714 62.369 63.100 -0.029 0.000 0.801 79 P CB 0.640 32.306 31.700 -0.056 0.000 1.127 80 K N 1.031 121.408 120.400 -0.040 0.000 2.412 80 K HA 0.080 4.392 4.320 -0.012 0.000 0.281 80 K C -0.150 176.370 176.600 -0.133 0.000 1.027 80 K CA -0.062 56.192 56.287 -0.056 0.000 0.989 80 K CB 0.220 32.701 32.500 -0.032 0.000 0.935 80 K HN 0.240 nan 8.250 nan 0.000 0.475 81 R N 3.612 124.012 120.500 -0.167 0.000 2.368 81 R HA 0.352 4.685 4.340 -0.012 0.000 0.302 81 R C -0.543 175.465 176.300 -0.487 0.000 1.002 81 R CA -0.481 55.434 56.100 -0.308 0.000 0.929 81 R CB 0.857 30.977 30.300 -0.300 0.000 1.073 81 R HN 0.511 nan 8.270 nan 0.000 0.464 82 I N 4.394 124.632 120.570 -0.553 0.000 2.339 82 I HA 0.216 4.379 4.170 -0.012 0.000 0.290 82 I C -0.675 175.120 176.117 -0.537 0.000 0.994 82 I CA -0.774 60.146 61.300 -0.635 0.000 1.191 82 I CB 0.833 38.345 38.000 -0.813 0.000 1.343 82 I HN 0.523 nan 8.210 nan 0.000 0.458 83 Y N 5.897 126.161 120.300 -0.060 0.000 2.356 83 Y HA 0.278 4.821 4.550 -0.012 0.000 0.334 83 Y C -0.259 175.743 175.900 0.170 0.000 0.958 83 Y CA -0.746 57.444 58.100 0.149 0.000 1.196 83 Y CB 1.044 39.552 38.460 0.080 0.000 1.137 83 Y HN 0.395 nan 8.280 nan 0.000 0.485 84 Y N 4.632 125.119 120.300 0.312 0.000 2.518 84 Y HA 0.455 4.998 4.550 -0.012 0.000 0.344 84 Y C -1.149 175.024 175.900 0.455 0.000 0.982 84 Y CA -0.979 57.314 58.100 0.322 0.000 1.234 84 Y CB 0.191 38.842 38.460 0.318 0.000 1.114 84 Y HN 0.514 nan 8.280 nan 0.000 0.515 85 L N 4.816 126.089 121.223 0.083 0.000 2.281 85 L HA 0.444 4.776 4.340 -0.012 0.000 0.285 85 L C -0.110 176.771 176.870 0.018 0.000 1.074 85 L CA 0.252 55.194 54.840 0.169 0.000 0.817 85 L CB 1.189 43.316 42.059 0.114 0.000 1.168 85 L HN 0.570 nan 8.230 nan 0.000 0.434 86 S N 2.576 118.371 115.700 0.158 0.000 2.533 86 S HA 0.476 4.938 4.470 -0.012 0.000 0.271 86 S C 0.166 174.846 174.600 0.132 0.000 1.143 86 S CA -0.543 57.647 58.200 -0.016 0.000 0.891 86 S CB 1.006 63.968 63.200 -0.396 0.000 1.105 86 S HN 0.472 nan 8.310 nan 0.000 0.468 87 L N 2.870 124.211 121.223 0.197 0.000 2.591 87 L HA 0.459 4.792 4.340 -0.012 0.000 0.228 87 L C 0.254 177.309 176.870 0.308 0.000 1.133 87 L CA 0.961 55.981 54.840 0.301 0.000 0.880 87 L CB -0.095 42.149 42.059 0.309 0.000 1.033 87 L HN 0.654 nan 8.230 nan 0.000 0.450 88 E N -1.374 118.878 120.200 0.087 0.000 2.308 88 E HA 0.385 4.727 4.350 -0.012 0.000 0.275 88 E C -1.434 175.029 176.600 -0.229 0.000 0.890 88 E CA -0.455 55.982 56.400 0.061 0.000 0.754 88 E CB 1.872 31.597 29.700 0.042 0.000 1.207 88 E HN -0.189 nan 8.360 nan 0.000 0.426 89 F N 2.170 122.230 119.950 0.182 0.000 2.771 89 F HA 0.176 4.695 4.527 -0.013 0.000 0.365 89 F C -0.871 175.015 175.800 0.145 0.000 1.169 89 F CA -0.685 57.413 58.000 0.164 0.000 1.093 89 F CB 0.843 39.933 39.000 0.151 0.000 1.363 89 F HN 0.484 nan 8.300 nan 0.000 0.496 90 Y N 5.133 125.509 120.300 0.128 0.000 2.568 90 Y HA 0.186 4.729 4.550 -0.012 0.000 0.338 90 Y C 1.104 177.027 175.900 0.037 0.000 1.245 90 Y CA -0.908 57.219 58.100 0.044 0.000 1.667 90 Y CB 0.290 38.759 38.460 0.015 0.000 1.568 90 Y HN 0.514 nan 8.280 nan 0.000 0.471 91 M N 1.359 121.106 119.600 0.245 0.000 2.288 91 M HA 0.104 4.577 4.480 -0.012 0.000 0.266 91 M C 1.560 177.847 176.300 -0.022 0.000 1.072 91 M CA 1.106 56.454 55.300 0.080 0.000 1.132 91 M CB -1.251 31.370 32.600 0.036 0.000 1.386 91 M HN 0.662 nan 8.290 nan 0.000 0.432 92 G N 1.114 109.918 108.800 0.007 0.000 2.598 92 G HA2 -0.269 3.684 3.960 -0.012 0.000 0.244 92 G HA3 -0.269 3.684 3.960 -0.012 0.000 0.244 92 G C -0.402 174.458 174.900 -0.066 0.000 1.302 92 G CA -0.312 44.747 45.100 -0.068 0.000 0.903 92 G HN 0.445 nan 8.290 nan 0.000 0.575 93 R N -0.473 119.968 120.500 -0.100 0.000 2.582 93 R HA 0.553 4.886 4.340 -0.012 0.000 0.271 93 R C 1.563 177.751 176.300 -0.185 0.000 1.078 93 R CA 0.452 56.502 56.100 -0.084 0.000 1.127 93 R CB 0.873 31.124 30.300 -0.083 0.000 1.038 93 R HN 0.876 nan 8.270 nan 0.000 0.500 94 T N 0.002 114.395 114.554 -0.268 0.000 3.004 94 T HA 0.030 4.372 4.350 -0.012 0.000 0.266 94 T C 1.269 175.595 174.700 -0.623 0.000 0.986 94 T CA -0.223 61.535 62.100 -0.569 0.000 0.902 94 T CB 0.191 68.477 68.868 -0.971 0.000 1.118 94 T HN 0.324 nan 8.240 nan 0.000 0.522 95 L N 1.877 122.968 121.223 -0.221 0.000 1.976 95 L HA 0.117 4.449 4.340 -0.012 0.000 0.209 95 L C 2.596 179.437 176.870 -0.048 0.000 1.071 95 L CA 2.210 57.072 54.840 0.038 0.000 0.746 95 L CB -0.997 41.286 42.059 0.373 0.000 0.890 95 L HN 0.373 nan 8.230 nan 0.000 0.432 96 Q N -0.715 119.053 119.800 -0.052 0.000 2.084 96 Q HA -0.258 4.075 4.340 -0.012 0.000 0.202 96 Q C 2.225 178.157 176.000 -0.114 0.000 0.978 96 Q CA 1.876 57.640 55.803 -0.065 0.000 0.844 96 Q CB -0.313 28.383 28.738 -0.071 0.000 0.898 96 Q HN 0.690 nan 8.270 nan 0.000 0.426 97 N N -0.949 117.644 118.700 -0.178 0.000 2.149 97 N HA -0.142 4.590 4.740 -0.012 0.000 0.188 97 N C 1.325 176.732 175.510 -0.171 0.000 1.019 97 N CA 1.711 54.648 53.050 -0.189 0.000 0.857 97 N CB 0.091 38.431 38.487 -0.244 0.000 0.997 97 N HN 0.217 nan 8.380 nan 0.000 0.426 98 T N 1.165 115.586 114.554 -0.222 0.000 2.777 98 T HA -0.029 4.314 4.350 -0.012 0.000 0.266 98 T C 2.067 176.708 174.700 -0.099 0.000 1.040 98 T CA 0.948 62.933 62.100 -0.192 0.000 1.141 98 T CB -0.042 68.670 68.868 -0.261 0.000 0.868 98 T HN 0.255 nan 8.240 nan 0.000 0.444 99 M N 0.584 120.142 119.600 -0.069 0.000 2.117 99 M HA -0.090 4.383 4.480 -0.012 0.000 0.262 99 M C 2.462 178.730 176.300 -0.052 0.000 1.065 99 M CA 1.259 56.531 55.300 -0.047 0.000 1.114 99 M CB -0.615 31.973 32.600 -0.021 0.000 1.361 99 M HN 0.102 nan 8.290 nan 0.000 0.408 100 V N 0.888 120.777 119.914 -0.042 0.000 2.261 100 V HA -0.268 3.845 4.120 -0.012 0.000 0.246 100 V C 1.802 177.907 176.094 0.019 0.000 1.047 100 V CA 1.892 64.194 62.300 0.002 0.000 1.015 100 V CB -0.842 30.986 31.823 0.008 0.000 0.642 100 V HN 0.468 nan 8.190 nan 0.000 0.446 101 N N -0.356 118.345 118.700 0.000 0.000 2.453 101 N HA -0.046 4.687 4.740 -0.012 0.000 0.183 101 N C 1.087 176.501 175.510 -0.160 0.000 1.041 101 N CA 0.738 53.767 53.050 -0.035 0.000 0.900 101 N CB -0.069 38.409 38.487 -0.015 0.000 0.961 101 N HN 0.283 nan 8.380 nan 0.000 0.443 102 L N -0.323 120.826 121.223 -0.124 0.000 2.693 102 L HA 0.401 4.733 4.340 -0.012 0.000 0.235 102 L C 0.561 177.350 176.870 -0.134 0.000 1.127 102 L CA -0.201 54.566 54.840 -0.123 0.000 0.914 102 L CB -0.668 41.343 42.059 -0.081 0.000 1.193 102 L HN 0.091 nan 8.230 nan 0.000 0.502 103 A N -0.557 122.182 122.820 -0.135 0.000 2.846 103 A HA -0.219 4.093 4.320 -0.012 0.000 0.287 103 A C 1.079 178.607 177.584 -0.093 0.000 1.469 103 A CA 0.961 52.931 52.037 -0.113 0.000 0.757 103 A CB -1.960 16.961 19.000 -0.133 0.000 1.033 103 A HN 0.223 nan 8.150 nan 0.000 0.516 104 L N -0.909 120.259 121.223 -0.092 0.000 2.638 104 L HA 0.247 4.580 4.340 -0.012 0.000 0.232 104 L C 1.858 178.691 176.870 -0.061 0.000 1.099 104 L CA 1.592 56.372 54.840 -0.101 0.000 0.883 104 L CB -0.276 41.697 42.059 -0.143 0.000 1.136 104 L HN 0.619 nan 8.230 nan 0.000 0.492 105 E N -0.104 120.071 120.200 -0.043 0.000 2.086 105 E HA -0.271 4.072 4.350 -0.012 0.000 0.200 105 E C 1.662 178.250 176.600 -0.021 0.000 1.012 105 E CA 1.749 58.135 56.400 -0.024 0.000 0.812 105 E CB 0.218 29.907 29.700 -0.018 0.000 0.743 105 E HN 0.399 nan 8.360 nan 0.000 0.453 106 N N -0.258 118.426 118.700 -0.027 0.000 2.171 106 N HA -0.084 4.649 4.740 -0.012 0.000 0.184 106 N C 1.559 177.054 175.510 -0.026 0.000 1.021 106 N CA 1.241 54.275 53.050 -0.027 0.000 0.854 106 N CB -0.451 38.019 38.487 -0.028 0.000 0.994 106 N HN 0.241 nan 8.380 nan 0.000 0.426 107 A N 0.424 123.226 122.820 -0.030 0.000 1.908 107 A HA -0.172 4.140 4.320 -0.012 0.000 0.218 107 A C 2.660 180.235 177.584 -0.015 0.000 1.181 107 A CA 1.474 53.496 52.037 -0.025 0.000 0.627 107 A CB -1.080 17.897 19.000 -0.039 0.000 0.818 107 A HN 0.447 nan 8.150 nan 0.000 0.445 108 C N -0.986 118.304 119.300 -0.017 0.000 2.440 108 C HA -0.061 4.391 4.460 -0.012 0.000 0.278 108 C C 2.480 177.470 174.990 0.001 0.000 1.295 108 C CA 1.078 60.096 59.018 0.000 0.000 1.738 108 C CB -1.081 26.669 27.740 0.016 0.000 1.987 108 C HN 0.673 nan 8.230 nan 0.000 0.492 109 D N 0.608 121.009 120.400 0.001 0.000 2.117 109 D HA -0.136 4.497 4.640 -0.012 0.000 0.197 109 D C 2.132 178.448 176.300 0.025 0.000 0.987 109 D CA 1.449 55.453 54.000 0.008 0.000 0.829 109 D CB -0.237 40.557 40.800 -0.011 0.000 0.961 109 D HN 0.478 nan 8.370 nan 0.000 0.460 110 E N 0.422 120.628 120.200 0.010 0.000 2.028 110 E HA -0.065 4.278 4.350 -0.012 0.000 0.191 110 E C 1.906 178.550 176.600 0.072 0.000 0.988 110 E CA 1.673 58.097 56.400 0.040 0.000 0.799 110 E CB -0.578 29.128 29.700 0.009 0.000 0.755 110 E HN 0.183 nan 8.360 nan 0.000 0.447 111 A N -0.090 122.737 122.820 0.011 0.000 1.883 111 A HA -0.232 4.081 4.320 -0.012 0.000 0.217 111 A C 2.506 180.017 177.584 -0.121 0.000 1.186 111 A CA 3.002 55.017 52.037 -0.036 0.000 0.624 111 A CB -1.529 17.450 19.000 -0.036 0.000 0.822 111 A HN 0.531 nan 8.150 nan 0.000 0.444 112 T N -3.870 110.602 114.554 -0.136 0.000 2.904 112 T HA -0.185 4.157 4.350 -0.012 0.000 0.267 112 T C 1.806 176.416 174.700 -0.149 0.000 1.059 112 T CA 1.469 63.423 62.100 -0.244 0.000 1.137 112 T CB -0.527 68.241 68.868 -0.168 0.000 0.879 112 T HN 0.487 nan 8.240 nan 0.000 0.467 113 Y N 2.137 122.356 120.300 -0.135 0.000 2.145 113 Y HA -0.054 4.489 4.550 -0.012 0.000 0.286 113 Y C 2.625 178.464 175.900 -0.102 0.000 1.145 113 Y CA 1.498 59.539 58.100 -0.099 0.000 1.148 113 Y CB -0.489 37.932 38.460 -0.065 0.000 0.981 113 Y HN 0.223 nan 8.280 nan 0.000 0.507 114 Q N -0.812 118.915 119.800 -0.122 0.000 2.224 114 Q HA -0.126 4.207 4.340 -0.012 0.000 0.203 114 Q C 1.484 177.350 176.000 -0.222 0.000 0.970 114 Q CA 0.867 56.564 55.803 -0.177 0.000 0.865 114 Q CB -0.067 28.650 28.738 -0.036 0.000 0.922 114 Q HN 0.350 nan 8.270 nan 0.000 0.445 115 L N -0.710 120.365 121.223 -0.248 0.000 2.599 115 L HA 0.132 4.465 4.340 -0.012 0.000 0.230 115 L C 1.109 177.809 176.870 -0.283 0.000 1.141 115 L CA 1.197 55.877 54.840 -0.266 0.000 0.877 115 L CB -0.522 41.289 42.059 -0.413 0.000 1.009 115 L HN 0.330 nan 8.230 nan 0.000 0.447 116 G N -0.128 108.480 108.800 -0.320 0.000 2.160 116 G HA2 -0.262 3.690 3.960 -0.012 0.000 0.244 116 G HA3 -0.262 3.690 3.960 -0.012 0.000 0.244 116 G C 0.100 174.850 174.900 -0.250 0.000 1.022 116 G CA 0.417 45.335 45.100 -0.304 0.000 0.741 116 G HN 0.316 nan 8.290 nan 0.000 0.508 117 L N -0.368 120.708 121.223 -0.245 0.000 2.341 117 L HA 0.614 4.946 4.340 -0.012 0.000 0.267 117 L C -0.417 176.415 176.870 -0.063 0.000 1.009 117 L CA -1.204 53.530 54.840 -0.177 0.000 0.819 117 L CB 1.823 43.724 42.059 -0.263 0.000 1.323 117 L HN 0.067 nan 8.230 nan 0.000 0.425 118 D N 2.031 122.427 120.400 -0.007 0.000 2.428 118 D HA 0.152 4.784 4.640 -0.012 0.000 0.221 118 D C 0.735 177.066 176.300 0.051 0.000 1.123 118 D CA -0.257 53.768 54.000 0.042 0.000 0.869 118 D CB 1.360 42.189 40.800 0.049 0.000 1.032 118 D HN 0.530 nan 8.370 nan 0.000 0.506 119 M N 3.132 122.763 119.600 0.052 0.000 2.143 119 M HA -0.204 4.269 4.480 -0.012 0.000 0.258 119 M C 1.437 177.779 176.300 0.069 0.000 1.071 119 M CA 1.691 57.030 55.300 0.064 0.000 1.088 119 M CB 0.138 32.770 32.600 0.052 0.000 1.360 119 M HN 0.411 nan 8.290 nan 0.000 0.404 120 E N -0.409 119.824 120.200 0.054 0.000 2.153 120 E HA -0.251 4.092 4.350 -0.012 0.000 0.194 120 E C 1.885 178.516 176.600 0.051 0.000 0.988 120 E CA 1.378 57.807 56.400 0.048 0.000 0.811 120 E CB -0.124 29.602 29.700 0.043 0.000 0.746 120 E HN 0.652 nan 8.360 nan 0.000 0.466 121 E N 0.222 120.456 120.200 0.058 0.000 2.106 121 E HA -0.188 4.155 4.350 -0.012 0.000 0.192 121 E C 1.869 178.507 176.600 0.063 0.000 0.984 121 E CA 0.543 56.978 56.400 0.058 0.000 0.806 121 E CB 0.197 29.935 29.700 0.063 0.000 0.750 121 E HN 0.083 nan 8.360 nan 0.000 0.458 122 L N 1.200 122.482 121.223 0.098 0.000 2.109 122 L HA -0.100 4.232 4.340 -0.012 0.000 0.207 122 L C 2.041 178.952 176.870 0.068 0.000 1.086 122 L CA 1.554 56.482 54.840 0.146 0.000 0.760 122 L CB -0.537 41.668 42.059 0.244 0.000 0.910 122 L HN 0.111 nan 8.230 nan 0.000 0.437 123 E N -0.682 119.550 120.200 0.055 0.000 2.153 123 E HA -0.192 4.151 4.350 -0.012 0.000 0.194 123 E C 1.823 178.362 176.600 -0.102 0.000 0.988 123 E CA 0.719 57.116 56.400 -0.004 0.000 0.811 123 E CB 0.092 29.806 29.700 0.023 0.000 0.746 123 E HN 0.357 nan 8.360 nan 0.000 0.466 124 E N 0.144 120.307 120.200 -0.062 0.000 2.409 124 E HA -0.117 4.226 4.350 -0.012 0.000 0.198 124 E C 1.785 178.307 176.600 -0.130 0.000 1.024 124 E CA 0.551 56.916 56.400 -0.058 0.000 0.861 124 E CB 0.055 29.757 29.700 0.003 0.000 0.788 124 E HN 0.405 nan 8.360 nan 0.000 0.521 125 I N 0.765 121.193 120.570 -0.237 0.000 2.617 125 I HA -0.101 4.062 4.170 -0.012 0.000 0.256 125 I C 1.320 177.112 176.117 -0.543 0.000 1.167 125 I CA 0.187 61.284 61.300 -0.339 0.000 1.469 125 I CB 0.142 37.952 38.000 -0.316 0.000 1.098 125 I HN -0.030 nan 8.210 nan 0.000 0.436 126 E N 2.295 122.049 120.200 -0.742 0.000 2.415 126 E HA -0.067 4.276 4.350 -0.012 0.000 0.263 126 E C -0.016 176.471 176.600 -0.187 0.000 0.995 126 E CA -0.105 55.920 56.400 -0.625 0.000 0.915 126 E CB 0.599 30.045 29.700 -0.424 0.000 0.951 126 E HN 0.095 nan 8.360 nan 0.000 0.449 127 E N 2.928 123.114 120.200 -0.024 0.000 2.331 127 E HA 0.088 4.431 4.350 -0.012 0.000 0.272 127 E C -1.153 175.542 176.600 0.159 0.000 1.036 127 E CA -0.436 56.034 56.400 0.116 0.000 0.864 127 E CB 0.853 30.702 29.700 0.248 0.000 1.035 127 E HN 0.376 nan 8.360 nan 0.000 0.408 128 D N 1.626 122.098 120.400 0.121 0.000 2.382 128 D HA 0.268 4.900 4.640 -0.012 0.000 0.245 128 D C -0.878 175.461 176.300 0.064 0.000 1.120 128 D CA 0.237 54.285 54.000 0.080 0.000 0.890 128 D CB 1.010 41.845 40.800 0.058 0.000 1.201 128 D HN 0.430 nan 8.370 nan 0.000 0.433 129 A N 2.316 125.127 122.820 -0.014 0.000 2.798 129 A HA 0.483 4.795 4.320 -0.012 0.000 0.316 129 A C 0.922 178.348 177.584 -0.264 0.000 1.506 129 A CA -0.502 51.336 52.037 -0.332 0.000 1.162 129 A CB -0.187 18.700 19.000 -0.188 0.000 1.138 129 A HN 0.523 nan 8.150 nan 0.000 0.532 130 G N 1.911 110.504 108.800 -0.344 0.000 3.581 130 G HA2 0.397 4.350 3.960 -0.012 0.000 0.255 130 G HA3 0.397 4.350 3.960 -0.012 0.000 0.255 130 G C 0.322 174.939 174.900 -0.472 0.000 1.121 130 G CA -0.287 44.649 45.100 -0.273 0.000 1.739 130 G HN 0.689 nan 8.290 nan 0.000 0.646 131 L N 1.477 122.491 121.223 -0.348 0.000 2.922 131 L HA 0.362 4.695 4.340 -0.012 0.000 0.244 131 L C 1.021 177.800 176.870 -0.152 0.000 1.324 131 L CA -0.163 54.588 54.840 -0.147 0.000 1.172 131 L CB -0.519 41.590 42.059 0.083 0.000 1.545 131 L HN 0.337 nan 8.230 nan 0.000 0.438 132 G N -1.189 107.291 108.800 -0.533 0.000 2.623 132 G HA2 0.169 4.122 3.960 -0.012 0.000 0.290 132 G HA3 0.169 4.122 3.960 -0.012 0.000 0.290 132 G C -0.139 174.352 174.900 -0.683 0.000 1.437 132 G CA -0.487 44.317 45.100 -0.493 0.000 0.798 132 G HN -0.053 nan 8.290 nan 0.000 0.488 133 N N -0.770 117.767 118.700 -0.271 0.000 2.387 133 N HA 0.199 4.931 4.740 -0.012 0.000 0.176 133 N C 1.207 176.759 175.510 0.070 0.000 1.022 133 N CA 1.357 54.335 53.050 -0.121 0.000 0.883 133 N CB 1.189 39.687 38.487 0.018 0.000 1.019 133 N HN 0.851 nan 8.380 nan 0.000 0.435 134 G N -0.563 108.357 108.800 0.200 0.000 2.667 134 G HA2 0.121 4.073 3.960 -0.012 0.000 0.081 134 G HA3 0.121 4.073 3.960 -0.012 0.000 0.081 134 G C 0.780 175.814 174.900 0.223 0.000 1.105 134 G CA 0.239 45.517 45.100 0.297 0.000 1.326 134 G HN 0.174 nan 8.290 nan 0.000 0.603 135 G N 0.550 109.427 108.800 0.129 0.000 2.491 135 G HA2 -0.098 3.854 3.960 -0.012 0.000 0.218 135 G HA3 -0.098 3.854 3.960 -0.012 0.000 0.218 135 G C 1.912 176.822 174.900 0.017 0.000 1.180 135 G CA 1.598 46.736 45.100 0.062 0.000 0.774 135 G HN 0.827 nan 8.290 nan 0.000 0.562 136 L N 0.652 121.862 121.223 -0.022 0.000 2.017 136 L HA 0.074 4.407 4.340 -0.012 0.000 0.208 136 L C 2.854 179.674 176.870 -0.084 0.000 1.073 136 L CA 2.062 56.803 54.840 -0.164 0.000 0.745 136 L CB -0.547 41.374 42.059 -0.229 0.000 0.894 136 L HN 0.245 nan 8.230 nan 0.000 0.432 137 G N -0.946 107.866 108.800 0.020 0.000 2.403 137 G HA2 -0.238 3.715 3.960 -0.012 0.000 0.216 137 G HA3 -0.238 3.715 3.960 -0.012 0.000 0.216 137 G C 1.690 176.675 174.900 0.141 0.000 1.154 137 G CA 0.255 45.392 45.100 0.062 0.000 0.784 137 G HN 0.175 nan 8.290 nan 0.000 0.538 138 R N 0.140 120.743 120.500 0.172 0.000 2.115 138 R HA 0.112 4.444 4.340 -0.012 0.000 0.226 138 R C 2.425 178.740 176.300 0.026 0.000 1.100 138 R CA 0.681 56.852 56.100 0.118 0.000 0.980 138 R CB -0.970 29.360 30.300 0.049 0.000 0.875 138 R HN 0.399 nan 8.270 nan 0.000 0.445 139 L N 0.613 121.787 121.223 -0.082 0.000 2.046 139 L HA -0.059 4.273 4.340 -0.012 0.000 0.208 139 L C 2.180 178.784 176.870 -0.444 0.000 1.077 139 L CA 2.201 56.854 54.840 -0.312 0.000 0.747 139 L CB -0.766 41.076 42.059 -0.362 0.000 0.896 139 L HN 0.181 nan 8.230 nan 0.000 0.432 140 A N -0.527 122.165 122.820 -0.212 0.000 1.908 140 A HA -0.174 4.138 4.320 -0.012 0.000 0.218 140 A C 2.442 180.097 177.584 0.118 0.000 1.181 140 A CA 1.956 53.949 52.037 -0.074 0.000 0.627 140 A CB -1.180 17.740 19.000 -0.133 0.000 0.818 140 A HN 0.586 nan 8.150 nan 0.000 0.445 141 A N -1.139 121.779 122.820 0.164 0.000 1.873 141 A HA -0.155 4.157 4.320 -0.012 0.000 0.215 141 A C 2.320 179.984 177.584 0.134 0.000 1.186 141 A CA 1.642 53.798 52.037 0.198 0.000 0.616 141 A CB -1.261 17.842 19.000 0.172 0.000 0.823 141 A HN 0.596 nan 8.150 nan 0.000 0.442 142 C N -1.513 117.862 119.300 0.125 0.000 2.429 142 C HA -0.053 4.399 4.460 -0.012 0.000 0.277 142 C C 2.432 177.583 174.990 0.270 0.000 1.262 142 C CA 0.603 59.731 59.018 0.185 0.000 1.733 142 C CB -1.591 26.278 27.740 0.215 0.000 2.010 142 C HN 0.606 nan 8.230 nan 0.000 0.483 143 F N 0.492 120.432 119.950 -0.016 0.000 2.134 143 F HA -0.078 4.442 4.527 -0.013 0.000 0.299 143 F C 2.119 177.865 175.800 -0.091 0.000 1.097 143 F CA 1.055 58.991 58.000 -0.106 0.000 1.264 143 F CB -1.386 37.413 39.000 -0.335 0.000 1.001 143 F HN 0.094 nan 8.300 nan 0.000 0.479 144 L N 0.324 121.630 121.223 0.138 0.000 2.042 144 L HA -0.236 4.097 4.340 -0.012 0.000 0.210 144 L C 2.395 179.283 176.870 0.030 0.000 1.076 144 L CA 1.868 56.746 54.840 0.062 0.000 0.749 144 L CB -1.211 40.890 42.059 0.070 0.000 0.893 144 L HN 0.188 nan 8.230 nan 0.000 0.432 145 D N -1.311 119.116 120.400 0.044 0.000 2.097 145 D HA -0.169 4.463 4.640 -0.012 0.000 0.195 145 D C 1.920 178.240 176.300 0.034 0.000 0.989 145 D CA 1.552 55.563 54.000 0.019 0.000 0.827 145 D CB 0.437 41.245 40.800 0.013 0.000 0.966 145 D HN 0.307 nan 8.370 nan 0.000 0.456 146 S N -0.104 115.633 115.700 0.062 0.000 2.383 146 S HA -0.071 4.392 4.470 -0.012 0.000 0.227 146 S C 2.117 176.733 174.600 0.028 0.000 1.026 146 S CA 0.717 58.946 58.200 0.048 0.000 0.981 146 S CB -0.104 63.131 63.200 0.058 0.000 0.818 146 S HN 0.335 nan 8.310 nan 0.000 0.472 147 M N 0.916 120.527 119.600 0.018 0.000 2.159 147 M HA -0.103 4.369 4.480 -0.012 0.000 0.263 147 M C 2.397 178.702 176.300 0.009 0.000 1.063 147 M CA 1.398 56.705 55.300 0.012 0.000 1.110 147 M CB -0.450 32.141 32.600 -0.015 0.000 1.374 147 M HN 0.401 nan 8.290 nan 0.000 0.411 148 A N -0.470 122.353 122.820 0.004 0.000 1.897 148 A HA -0.105 4.208 4.320 -0.012 0.000 0.215 148 A C 2.142 179.741 177.584 0.025 0.000 1.181 148 A CA 1.891 53.932 52.037 0.007 0.000 0.620 148 A CB -1.000 17.988 19.000 -0.019 0.000 0.821 148 A HN 0.398 nan 8.150 nan 0.000 0.443 149 T N 0.266 114.841 114.554 0.035 0.000 2.915 149 T HA 0.022 4.365 4.350 -0.012 0.000 0.269 149 T C 1.268 175.998 174.700 0.051 0.000 1.071 149 T CA 0.975 63.110 62.100 0.057 0.000 1.132 149 T CB -0.252 68.659 68.868 0.073 0.000 0.878 149 T HN 0.323 nan 8.240 nan 0.000 0.479 150 L N 0.505 121.753 121.223 0.043 0.000 2.653 150 L HA 0.299 4.632 4.340 -0.012 0.000 0.231 150 L C 1.526 178.425 176.870 0.048 0.000 1.153 150 L CA -0.172 54.695 54.840 0.044 0.000 0.933 150 L CB -0.418 41.666 42.059 0.043 0.000 1.175 150 L HN 0.364 nan 8.230 nan 0.000 0.473 151 G N 1.436 110.266 108.800 0.051 0.000 2.323 151 G HA2 -0.287 3.666 3.960 -0.012 0.000 0.292 151 G HA3 -0.287 3.666 3.960 -0.012 0.000 0.292 151 G C 0.025 174.964 174.900 0.065 0.000 1.040 151 G CA 0.150 45.294 45.100 0.074 0.000 0.942 151 G HN 0.294 nan 8.290 nan 0.000 0.506 152 L N -0.339 120.896 121.223 0.021 0.000 2.325 152 L HA 0.635 4.967 4.340 -0.012 0.000 0.279 152 L C 1.142 177.894 176.870 -0.198 0.000 1.054 152 L CA -0.518 54.289 54.840 -0.055 0.000 0.804 152 L CB 1.753 43.797 42.059 -0.023 0.000 1.200 152 L HN 0.267 nan 8.230 nan 0.000 0.436 153 A N 2.988 125.551 122.820 -0.428 0.000 2.990 153 A HA 0.570 4.883 4.320 -0.012 0.000 0.282 153 A C 0.274 177.538 177.584 -0.533 0.000 1.688 153 A CA -0.176 51.343 52.037 -0.863 0.000 1.391 153 A CB -0.638 17.739 19.000 -1.038 0.000 1.112 153 A HN 0.682 nan 8.150 nan 0.000 0.588 154 A N 1.367 123.922 122.820 -0.441 0.000 2.340 154 A HA 0.800 5.112 4.320 -0.012 0.000 0.331 154 A C -1.098 176.239 177.584 -0.411 0.000 1.140 154 A CA -0.432 51.399 52.037 -0.343 0.000 0.801 154 A CB 0.729 19.596 19.000 -0.222 0.000 1.234 154 A HN 0.584 nan 8.150 nan 0.000 0.469 155 Y N 0.153 120.411 120.300 -0.071 0.000 2.391 155 Y HA 0.548 5.091 4.550 -0.012 0.000 0.341 155 Y C 0.776 176.771 175.900 0.159 0.000 0.965 155 Y CA -0.650 57.475 58.100 0.042 0.000 1.067 155 Y CB 2.265 40.834 38.460 0.181 0.000 1.199 155 Y HN 0.829 nan 8.280 nan 0.000 0.450 156 G N 2.135 111.022 108.800 0.144 0.000 2.325 156 G HA2 0.454 4.407 3.960 -0.012 0.000 0.298 156 G HA3 0.454 4.407 3.960 -0.012 0.000 0.298 156 G C -1.761 173.158 174.900 0.033 0.000 1.134 156 G CA -0.287 44.933 45.100 0.200 0.000 0.876 156 G HN 0.508 nan 8.290 nan 0.000 0.452 157 Y N 1.107 121.641 120.300 0.390 0.000 2.350 157 Y HA 0.628 5.171 4.550 -0.012 0.000 0.338 157 Y C 0.764 176.975 175.900 0.519 0.000 0.961 157 Y CA 0.193 58.488 58.100 0.325 0.000 1.100 157 Y CB 2.641 41.315 38.460 0.358 0.000 1.179 157 Y HN 0.858 nan 8.280 nan 0.000 0.454 158 G N 2.426 111.554 108.800 0.546 0.000 2.846 158 G HA2 0.607 4.559 3.960 -0.012 0.000 0.299 158 G HA3 0.607 4.559 3.960 -0.012 0.000 0.299 158 G C -1.717 173.437 174.900 0.424 0.000 1.242 158 G CA -0.804 44.654 45.100 0.596 0.000 0.800 158 G HN 0.427 nan 8.290 nan 0.000 0.538 159 I N 0.543 121.260 120.570 0.245 0.000 2.474 159 I HA 0.436 4.599 4.170 -0.012 0.000 0.294 159 I C 0.128 176.158 176.117 -0.144 0.000 1.005 159 I CA -0.735 60.596 61.300 0.053 0.000 1.113 159 I CB 2.278 40.122 38.000 -0.260 0.000 1.289 159 I HN 0.350 nan 8.210 nan 0.000 0.436 160 R N 6.138 126.647 120.500 0.015 0.000 2.593 160 R HA 0.261 4.593 4.340 -0.012 0.000 0.282 160 R C -1.344 175.006 176.300 0.085 0.000 1.300 160 R CA -0.455 55.686 56.100 0.068 0.000 1.221 160 R CB 0.042 30.356 30.300 0.024 0.000 1.157 160 R HN 0.399 nan 8.270 nan 0.000 0.555 161 Y N 1.968 122.428 120.300 0.267 0.000 2.425 161 Y HA -0.029 4.513 4.550 -0.013 0.000 0.331 161 Y C 1.484 177.562 175.900 0.298 0.000 1.157 161 Y CA -0.106 58.138 58.100 0.241 0.000 1.372 161 Y CB 0.966 39.547 38.460 0.203 0.000 1.253 161 Y HN 0.571 nan 8.280 nan 0.000 0.536 162 E N 1.138 121.506 120.200 0.279 0.000 2.371 162 E HA 0.004 4.347 4.350 -0.012 0.000 0.194 162 E C -0.795 175.677 176.600 -0.212 0.000 1.012 162 E CA 0.588 56.971 56.400 -0.030 0.000 0.860 162 E CB 0.075 29.591 29.700 -0.307 0.000 0.811 162 E HN 0.358 nan 8.360 nan 0.000 0.502 163 F N 1.188 121.371 119.950 0.389 0.000 2.499 163 F HA 0.480 4.999 4.527 -0.012 0.000 0.333 163 F C 0.838 176.730 175.800 0.154 0.000 1.138 163 F CA -0.946 57.228 58.000 0.290 0.000 0.945 163 F CB 1.993 41.092 39.000 0.164 0.000 1.181 163 F HN -0.081 nan 8.300 nan 0.000 0.435 164 G N 1.904 110.816 108.800 0.186 0.000 2.582 164 G HA2 0.344 4.297 3.960 -0.012 0.000 0.232 164 G HA3 0.344 4.297 3.960 -0.012 0.000 0.232 164 G C -0.452 174.402 174.900 -0.077 0.000 1.458 164 G CA -0.665 44.381 45.100 -0.090 0.000 1.062 164 G HN 0.530 nan 8.290 nan 0.000 0.566 165 I N 0.946 121.389 120.570 -0.211 0.000 2.683 165 I HA 0.221 4.384 4.170 -0.012 0.000 0.286 165 I C 0.541 176.573 176.117 -0.142 0.000 1.175 165 I CA -1.085 60.075 61.300 -0.232 0.000 1.429 165 I CB -0.237 37.525 38.000 -0.396 0.000 1.371 165 I HN 0.335 nan 8.210 nan 0.000 0.569 166 F N 6.361 126.317 119.950 0.010 0.000 2.589 166 F HA 0.241 4.761 4.527 -0.012 0.000 0.352 166 F C 0.448 176.295 175.800 0.078 0.000 1.168 166 F CA -0.496 57.534 58.000 0.050 0.000 1.353 166 F CB -0.257 38.761 39.000 0.030 0.000 1.116 166 F HN 0.429 nan 8.300 nan 0.000 0.608 167 N N 2.425 121.305 118.700 0.302 0.000 2.488 167 N HA 0.058 4.791 4.740 -0.012 0.000 0.274 167 N C -0.855 174.888 175.510 0.388 0.000 1.111 167 N CA -0.302 52.889 53.050 0.235 0.000 0.974 167 N CB 1.228 39.844 38.487 0.216 0.000 1.089 167 N HN 0.766 nan 8.380 nan 0.000 0.465 168 Q N 2.522 122.516 119.800 0.323 0.000 2.274 168 Q HA 0.198 4.530 4.340 -0.012 0.000 0.256 168 Q C -0.955 175.218 176.000 0.288 0.000 0.927 168 Q CA -0.276 55.765 55.803 0.396 0.000 0.939 168 Q CB 0.779 29.749 28.738 0.386 0.000 1.201 168 Q HN 0.278 nan 8.270 nan 0.000 0.426 169 K N 4.279 124.828 120.400 0.248 0.000 2.316 169 K HA 0.467 4.779 4.320 -0.012 0.000 0.251 169 K C -0.813 175.891 176.600 0.174 0.000 0.934 169 K CA -0.953 55.454 56.287 0.200 0.000 0.802 169 K CB 1.613 34.208 32.500 0.159 0.000 1.171 169 K HN 0.622 nan 8.250 nan 0.000 0.426 170 I N 2.496 123.162 120.570 0.160 0.000 2.328 170 I HA 0.192 4.354 4.170 -0.012 0.000 0.287 170 I C -0.206 175.975 176.117 0.105 0.000 1.012 170 I CA -0.631 60.735 61.300 0.110 0.000 1.195 170 I CB 0.717 38.766 38.000 0.082 0.000 1.350 170 I HN 0.466 nan 8.210 nan 0.000 0.464 171 C N 4.216 123.589 119.300 0.121 0.000 2.319 171 C HA 0.584 5.036 4.460 -0.012 0.000 0.323 171 C C 1.238 176.330 174.990 0.170 0.000 1.277 171 C CA -0.096 58.996 59.018 0.123 0.000 1.517 171 C CB 0.423 28.228 27.740 0.109 0.000 2.206 171 C HN 1.083 nan 8.230 nan 0.000 0.486 172 G N 2.908 111.784 108.800 0.126 0.000 2.258 172 G HA2 0.052 4.005 3.960 -0.012 0.000 0.274 172 G HA3 0.052 4.005 3.960 -0.012 0.000 0.274 172 G C 1.095 176.036 174.900 0.069 0.000 1.021 172 G CA 1.039 46.226 45.100 0.144 0.000 0.798 172 G HN 2.334 nan 8.290 nan 0.000 0.507 173 G N -3.004 105.779 108.800 -0.028 0.000 2.176 173 G HA2 -0.286 3.666 3.960 -0.012 0.000 0.253 173 G HA3 -0.286 3.666 3.960 -0.012 0.000 0.253 173 G C 0.362 175.047 174.900 -0.358 0.000 0.979 173 G CA 0.646 45.608 45.100 -0.230 0.000 0.641 173 G HN 1.174 nan 8.290 nan 0.000 0.530 174 W N 0.736 121.985 121.300 -0.086 0.000 2.516 174 W HA 0.675 5.327 4.660 -0.012 0.000 0.343 174 W C 0.610 177.079 176.519 -0.083 0.000 1.094 174 W CA -0.861 56.425 57.345 -0.098 0.000 1.250 174 W CB 0.819 30.237 29.460 -0.070 0.000 1.308 174 W HN 0.233 nan 8.180 nan 0.000 0.588 175 Q N 2.766 122.674 119.800 0.181 0.000 2.304 175 Q HA 0.294 4.627 4.340 -0.012 0.000 0.260 175 Q C -0.687 175.373 176.000 0.100 0.000 0.965 175 Q CA -0.009 55.866 55.803 0.121 0.000 0.898 175 Q CB 0.616 29.420 28.738 0.110 0.000 1.196 175 Q HN 0.304 nan 8.270 nan 0.000 0.402 176 M N 3.151 122.807 119.600 0.092 0.000 2.383 176 M HA 0.390 4.863 4.480 -0.012 0.000 0.325 176 M C -1.114 175.199 176.300 0.021 0.000 1.092 176 M CA -0.621 54.699 55.300 0.035 0.000 0.961 176 M CB 1.760 34.394 32.600 0.057 0.000 1.672 176 M HN 0.631 nan 8.290 nan 0.000 0.438 177 E N 1.715 121.853 120.200 -0.104 0.000 2.204 177 E HA 0.522 4.864 4.350 -0.012 0.000 0.276 177 E C -0.693 175.894 176.600 -0.023 0.000 0.974 177 E CA -0.583 55.715 56.400 -0.169 0.000 0.815 177 E CB 1.851 31.169 29.700 -0.637 0.000 1.119 177 E HN 0.541 nan 8.360 nan 0.000 0.393 178 E N 1.230 121.496 120.200 0.111 0.000 2.321 178 E HA 0.627 4.970 4.350 -0.012 0.000 0.278 178 E C -1.232 175.456 176.600 0.147 0.000 0.902 178 E CA -1.296 55.161 56.400 0.094 0.000 0.758 178 E CB 1.324 31.087 29.700 0.105 0.000 1.213 178 E HN 0.522 nan 8.360 nan 0.000 0.426 179 A N 2.852 125.714 122.820 0.071 0.000 2.587 179 A HA 0.009 4.322 4.320 -0.012 0.000 0.235 179 A C 0.063 177.812 177.584 0.275 0.000 1.044 179 A CA 0.788 52.877 52.037 0.086 0.000 0.754 179 A CB -0.057 18.852 19.000 -0.152 0.000 0.968 179 A HN 0.703 nan 8.150 nan 0.000 0.509 180 D N 1.593 122.234 120.400 0.401 0.000 2.524 180 D HA 0.200 4.832 4.640 -0.012 0.000 0.222 180 D C -0.437 176.203 176.300 0.566 0.000 1.142 180 D CA -0.276 53.967 54.000 0.404 0.000 0.973 180 D CB 0.334 41.303 40.800 0.282 0.000 1.025 180 D HN 0.364 nan 8.370 nan 0.000 0.519 181 D N 3.655 124.355 120.400 0.500 0.000 2.801 181 D HA -0.034 4.599 4.640 -0.012 0.000 0.232 181 D C 1.138 177.597 176.300 0.264 0.000 1.128 181 D CA -0.521 53.687 54.000 0.347 0.000 1.003 181 D CB -0.196 40.808 40.800 0.340 0.000 1.110 181 D HN 0.575 nan 8.370 nan 0.000 0.477 182 W N 1.713 123.063 121.300 0.083 0.000 2.538 182 W HA -0.069 4.583 4.660 -0.012 0.000 0.254 182 W C 0.143 176.728 176.519 0.109 0.000 1.249 182 W CA 0.125 57.535 57.345 0.110 0.000 1.253 182 W CB -0.792 28.730 29.460 0.103 0.000 1.130 182 W HN 0.193 nan 8.180 nan 0.000 0.618 183 L N 0.753 121.653 121.223 -0.538 0.000 2.607 183 L HA 0.181 4.514 4.340 -0.012 0.000 0.228 183 L C 2.759 179.494 176.870 -0.224 0.000 1.123 183 L CA -0.035 54.462 54.840 -0.572 0.000 0.890 183 L CB -0.638 40.951 42.059 -0.783 0.000 1.103 183 L HN -0.126 nan 8.230 nan 0.000 0.468 184 R N 0.781 121.218 120.500 -0.106 0.000 2.159 184 R HA -0.258 4.075 4.340 -0.012 0.000 0.249 184 R C 1.319 177.487 176.300 -0.220 0.000 1.136 184 R CA 2.274 58.294 56.100 -0.133 0.000 0.951 184 R CB -0.263 30.000 30.300 -0.062 0.000 0.876 184 R HN 0.313 nan 8.270 nan 0.000 0.440 185 Y N -0.510 119.811 120.300 0.034 0.000 2.468 185 Y HA 0.330 4.872 4.550 -0.012 0.000 0.268 185 Y C 0.772 176.666 175.900 -0.010 0.000 1.177 185 Y CA 0.449 58.579 58.100 0.049 0.000 1.265 185 Y CB 0.942 39.541 38.460 0.232 0.000 1.103 185 Y HN 0.469 nan 8.280 nan 0.000 0.522 186 G N 1.359 110.199 108.800 0.066 0.000 2.690 186 G HA2 -0.225 3.727 3.960 -0.012 0.000 0.686 186 G HA3 -0.225 3.727 3.960 -0.012 0.000 0.686 186 G C -1.214 173.748 174.900 0.103 0.000 1.277 186 G CA -0.851 44.249 45.100 0.001 0.000 0.799 186 G HN 0.244 nan 8.290 nan 0.000 0.613 187 N N 1.449 120.158 118.700 0.015 0.000 2.569 187 N HA 0.555 5.288 4.740 -0.012 0.000 0.254 187 N C -0.577 174.933 175.510 0.001 0.000 1.004 187 N CA -2.049 51.036 53.050 0.059 0.000 0.904 187 N CB 1.915 40.380 38.487 -0.036 0.000 1.165 187 N HN 0.236 nan 8.380 nan 0.000 0.513 188 P HA -0.021 nan 4.420 nan 0.000 0.226 188 P C 0.622 177.590 177.300 -0.552 0.000 1.153 188 P CA 0.868 63.646 63.100 -0.537 0.000 0.777 188 P CB 0.109 31.190 31.700 -1.032 0.000 0.794 189 W N 1.799 123.122 121.300 0.038 0.000 2.523 189 W HA 0.047 4.700 4.660 -0.012 0.000 0.278 189 W C 1.408 177.979 176.519 0.087 0.000 1.236 189 W CA -0.314 57.050 57.345 0.032 0.000 1.306 189 W CB -0.392 29.087 29.460 0.031 0.000 1.101 189 W HN -0.015 nan 8.180 nan 0.000 0.577 190 E N 1.829 122.217 120.200 0.314 0.000 2.345 190 E HA 0.281 4.623 4.350 -0.012 0.000 0.259 190 E C -0.583 176.198 176.600 0.301 0.000 1.117 190 E CA -0.604 55.990 56.400 0.322 0.000 0.913 190 E CB 1.134 31.035 29.700 0.335 0.000 1.057 190 E HN -0.306 nan 8.360 nan 0.000 0.432 191 K N 1.144 121.735 120.400 0.319 0.000 2.604 191 K HA 0.410 4.722 4.320 -0.012 0.000 0.247 191 K C -1.247 175.385 176.600 0.054 0.000 0.956 191 K CA -0.408 55.998 56.287 0.197 0.000 0.896 191 K CB 1.516 34.139 32.500 0.205 0.000 1.131 191 K HN 0.667 nan 8.250 nan 0.000 0.440 192 A N 4.021 126.782 122.820 -0.099 0.000 2.498 192 A HA 0.366 4.678 4.320 -0.012 0.000 0.239 192 A C -0.253 177.141 177.584 -0.317 0.000 1.068 192 A CA -0.092 51.619 52.037 -0.543 0.000 0.766 192 A CB 0.235 18.900 19.000 -0.558 0.000 1.003 192 A HN 0.675 nan 8.150 nan 0.000 0.497 193 R N 3.039 123.344 120.500 -0.325 0.000 2.835 193 R HA 0.202 4.534 4.340 -0.012 0.000 0.290 193 R C -2.368 173.804 176.300 -0.214 0.000 1.410 193 R CA -1.601 54.394 56.100 -0.176 0.000 1.590 193 R CB 0.773 31.147 30.300 0.123 0.000 1.288 193 R HN 0.572 nan 8.270 nan 0.000 0.637 194 P HA -0.190 nan 4.420 nan 0.000 0.221 194 P C 0.879 178.064 177.300 -0.192 0.000 1.145 194 P CA 1.149 64.153 63.100 -0.160 0.000 0.795 194 P CB 0.351 31.971 31.700 -0.135 0.000 0.775 195 E N -0.468 119.488 120.200 -0.406 0.000 2.478 195 E HA -0.114 4.229 4.350 -0.012 0.000 0.198 195 E C 0.341 176.632 176.600 -0.516 0.000 1.046 195 E CA 0.703 56.789 56.400 -0.523 0.000 0.870 195 E CB -0.672 28.576 29.700 -0.753 0.000 0.818 195 E HN 0.273 nan 8.360 nan 0.000 0.527 196 F N 1.492 121.459 119.950 0.027 0.000 2.791 196 F HA 0.290 4.809 4.527 -0.012 0.000 0.308 196 F C 0.395 176.290 175.800 0.159 0.000 1.138 196 F CA -0.798 57.249 58.000 0.078 0.000 1.294 196 F CB 0.164 39.204 39.000 0.067 0.000 0.975 196 F HN -0.296 nan 8.300 nan 0.000 0.512 197 T N 2.929 117.617 114.554 0.224 0.000 2.928 197 T HA 0.293 4.636 4.350 -0.012 0.000 0.305 197 T C -0.201 174.606 174.700 0.177 0.000 1.035 197 T CA 0.416 62.652 62.100 0.226 0.000 1.145 197 T CB 0.658 69.608 68.868 0.136 0.000 0.963 197 T HN -0.145 nan 8.240 nan 0.000 0.545 198 L N 5.525 126.823 121.223 0.123 0.000 2.354 198 L HA 0.611 4.944 4.340 -0.012 0.000 0.264 198 L C -2.247 174.580 176.870 -0.072 0.000 1.008 198 L CA -2.594 52.242 54.840 -0.007 0.000 0.819 198 L CB 1.965 43.944 42.059 -0.133 0.000 1.339 198 L HN 0.390 nan 8.230 nan 0.000 0.420 199 P HA 0.434 nan 4.420 nan 0.000 0.292 199 P C -1.270 175.901 177.300 -0.215 0.000 1.283 199 P CA -0.478 62.543 63.100 -0.130 0.000 0.835 199 P CB 1.987 33.610 31.700 -0.128 0.000 1.017 200 V N 3.613 123.387 119.914 -0.234 0.000 2.604 200 V HA 0.347 4.460 4.120 -0.012 0.000 0.305 200 V C 0.139 176.014 176.094 -0.366 0.000 1.043 200 V CA -0.610 61.537 62.300 -0.255 0.000 0.888 200 V CB 1.535 33.260 31.823 -0.165 0.000 0.995 200 V HN 0.609 nan 8.190 nan 0.000 0.429 201 H N 3.542 122.441 119.070 -0.285 0.000 2.479 201 H HA 0.642 5.191 4.556 -0.012 0.000 0.335 201 H C -1.376 173.602 175.328 -0.585 0.000 1.142 201 H CA -0.190 55.599 56.048 -0.431 0.000 1.234 201 H CB 2.005 31.276 29.762 -0.818 0.000 1.503 201 H HN 0.461 nan 8.280 nan 0.000 0.510 202 F N -0.071 119.887 119.950 0.014 0.000 2.613 202 F HA 0.208 4.728 4.527 -0.012 0.000 0.310 202 F C -0.277 175.596 175.800 0.121 0.000 1.085 202 F CA -0.579 57.437 58.000 0.027 0.000 0.945 202 F CB 0.913 39.864 39.000 -0.082 0.000 1.298 202 F HN 0.575 nan 8.300 nan 0.000 0.455 203 Y N 0.203 120.757 120.300 0.422 0.000 2.904 203 Y HA -0.001 4.541 4.550 -0.012 0.000 0.466 203 Y C 1.408 177.516 175.900 0.346 0.000 1.202 203 Y CA 0.729 59.005 58.100 0.294 0.000 2.492 203 Y CB -1.884 36.675 38.460 0.165 0.000 1.237 203 Y HN 1.337 nan 8.280 nan 0.000 0.633 204 G N 0.701 109.732 108.800 0.386 0.000 2.593 204 G HA2 0.107 4.060 3.960 -0.012 0.000 0.237 204 G HA3 0.107 4.060 3.960 -0.012 0.000 0.237 204 G C -0.542 174.551 174.900 0.321 0.000 1.312 204 G CA 0.929 46.181 45.100 0.253 0.000 0.896 204 G HN 1.382 nan 8.290 nan 0.000 0.574 205 R N -2.529 118.160 120.500 0.314 0.000 2.752 205 R HA 0.697 5.030 4.340 -0.012 0.000 0.271 205 R C -1.528 174.906 176.300 0.222 0.000 1.026 205 R CA -0.852 55.385 56.100 0.229 0.000 0.901 205 R CB 1.226 31.607 30.300 0.134 0.000 1.243 205 R HN 0.961 nan 8.270 nan 0.000 0.463 206 V N 1.054 121.017 119.914 0.081 0.000 2.398 206 V HA 0.358 4.470 4.120 -0.012 0.000 0.286 206 V C -0.242 175.800 176.094 -0.088 0.000 1.026 206 V CA -0.566 61.712 62.300 -0.037 0.000 0.868 206 V CB 1.385 33.105 31.823 -0.171 0.000 0.982 206 V HN 0.669 nan 8.190 nan 0.000 0.443 207 E N 3.227 123.361 120.200 -0.110 0.000 2.151 207 E HA 0.392 4.734 4.350 -0.012 0.000 0.275 207 E C -0.952 175.544 176.600 -0.174 0.000 0.936 207 E CA -0.676 55.681 56.400 -0.072 0.000 0.777 207 E CB 1.029 30.725 29.700 -0.007 0.000 1.108 207 E HN 0.655 nan 8.360 nan 0.000 0.401 208 H N 2.575 121.658 119.070 0.021 0.000 2.685 208 H HA 0.179 4.727 4.556 -0.012 0.000 0.286 208 H C -0.321 175.015 175.328 0.013 0.000 1.102 208 H CA -0.207 55.849 56.048 0.013 0.000 1.254 208 H CB 0.704 30.470 29.762 0.005 0.000 1.397 208 H HN 0.434 nan 8.280 nan 0.000 0.473 209 T N -0.027 114.580 114.554 0.088 0.000 2.841 209 T HA 0.280 4.622 4.350 -0.012 0.000 0.283 209 T C 1.162 175.894 174.700 0.052 0.000 1.000 209 T CA -0.275 61.863 62.100 0.062 0.000 0.977 209 T CB 1.993 70.884 68.868 0.038 0.000 0.979 209 T HN 0.526 nan 8.240 nan 0.000 0.446 210 S N 2.549 118.276 115.700 0.044 0.000 2.521 210 S HA -0.374 4.088 4.470 -0.012 0.000 0.517 210 S C 0.964 175.586 174.600 0.036 0.000 0.973 210 S CA 1.923 60.144 58.200 0.034 0.000 3.182 210 S CB -1.372 61.844 63.200 0.027 0.000 2.244 210 S HN 0.854 nan 8.310 nan 0.000 0.529 211 Q N 2.934 122.753 119.800 0.032 0.000 2.936 211 Q HA 0.563 4.896 4.340 -0.012 0.000 0.383 211 Q C 0.288 176.308 176.000 0.034 0.000 1.167 211 Q CA 0.805 56.627 55.803 0.031 0.000 1.038 211 Q CB 0.343 29.096 28.738 0.025 0.000 1.409 211 Q HN 0.969 nan 8.270 nan 0.000 0.448 212 G N -0.374 108.455 108.800 0.047 0.000 2.459 212 G HA2 0.236 4.189 3.960 -0.012 0.000 0.685 212 G HA3 0.236 4.189 3.960 -0.012 0.000 0.685 212 G C -1.062 173.858 174.900 0.033 0.000 1.303 212 G CA -0.667 44.461 45.100 0.048 0.000 0.907 212 G HN 0.476 nan 8.290 nan 0.000 0.632 213 A N 0.342 123.163 122.820 0.002 0.000 2.322 213 A HA 0.818 5.130 4.320 -0.012 0.000 0.269 213 A C 0.387 177.914 177.584 -0.095 0.000 1.094 213 A CA 0.105 52.061 52.037 -0.136 0.000 0.807 213 A CB 0.844 19.711 19.000 -0.221 0.000 1.047 213 A HN 0.785 nan 8.150 nan 0.000 0.487 214 K N 0.533 120.869 120.400 -0.107 0.000 2.443 214 K HA 0.222 4.535 4.320 -0.012 0.000 0.252 214 K C -1.808 174.825 176.600 0.054 0.000 0.933 214 K CA -0.400 55.875 56.287 -0.020 0.000 0.792 214 K CB 1.937 34.431 32.500 -0.011 0.000 1.185 214 K HN 0.729 nan 8.250 nan 0.000 0.425 215 W N 4.994 126.206 121.300 -0.146 0.000 2.342 215 W HA 0.387 5.039 4.660 -0.012 0.000 0.310 215 W C -1.111 175.337 176.519 -0.119 0.000 1.128 215 W CA -0.658 56.604 57.345 -0.139 0.000 1.322 215 W CB 0.434 29.797 29.460 -0.162 0.000 1.251 215 W HN 0.184 nan 8.180 nan 0.000 0.439 216 V N 6.452 126.446 119.914 0.134 0.000 3.046 216 V HA 0.346 4.459 4.120 -0.012 0.000 0.316 216 V C -0.425 175.642 176.094 -0.046 0.000 1.104 216 V CA -0.580 61.707 62.300 -0.021 0.000 1.006 216 V CB 2.092 33.930 31.823 0.025 0.000 1.058 216 V HN 0.449 nan 8.190 nan 0.000 0.440 217 D N 1.397 121.760 120.400 -0.063 0.000 2.689 217 D HA -0.128 4.505 4.640 -0.012 0.000 0.237 217 D C 0.409 176.660 176.300 -0.083 0.000 1.148 217 D CA 1.359 55.325 54.000 -0.057 0.000 0.656 217 D CB -1.157 39.639 40.800 -0.007 0.000 1.050 217 D HN 0.846 nan 8.370 nan 0.000 0.426 218 T N -3.060 111.399 114.554 -0.158 0.000 2.918 218 T HA 0.404 4.746 4.350 -0.012 0.000 0.283 218 T C 0.250 174.920 174.700 -0.050 0.000 1.001 218 T CA -0.868 61.145 62.100 -0.145 0.000 1.041 218 T CB 2.648 71.273 68.868 -0.404 0.000 1.028 218 T HN 0.192 nan 8.240 nan 0.000 0.511 219 Q N 1.155 120.997 119.800 0.070 0.000 2.257 219 Q HA 0.507 4.840 4.340 -0.012 0.000 0.255 219 Q C -1.411 174.640 176.000 0.085 0.000 0.920 219 Q CA -0.797 55.050 55.803 0.073 0.000 0.927 219 Q CB 1.222 30.088 28.738 0.213 0.000 1.229 219 Q HN 0.627 nan 8.270 nan 0.000 0.433 220 V N 4.367 124.286 119.914 0.008 0.000 2.472 220 V HA 0.446 4.559 4.120 -0.012 0.000 0.290 220 V C -0.385 175.749 176.094 0.066 0.000 1.037 220 V CA -0.584 61.676 62.300 -0.068 0.000 0.908 220 V CB 1.725 33.469 31.823 -0.131 0.000 0.985 220 V HN 0.624 nan 8.190 nan 0.000 0.454 221 V N 5.928 125.912 119.914 0.116 0.000 2.656 221 V HA 0.489 4.601 4.120 -0.012 0.000 0.307 221 V C -0.269 175.932 176.094 0.178 0.000 1.051 221 V CA -0.603 61.817 62.300 0.200 0.000 0.893 221 V CB 1.981 34.015 31.823 0.352 0.000 0.999 221 V HN 0.637 nan 8.190 nan 0.000 0.426 222 L N 3.519 124.848 121.223 0.177 0.000 2.357 222 L HA 0.788 5.121 4.340 -0.012 0.000 0.273 222 L C 0.405 177.455 176.870 0.301 0.000 1.080 222 L CA -0.445 54.494 54.840 0.166 0.000 0.803 222 L CB 1.421 43.559 42.059 0.132 0.000 1.174 222 L HN 0.739 nan 8.230 nan 0.000 0.443 223 A N 4.670 127.607 122.820 0.195 0.000 2.267 223 A HA 0.591 4.904 4.320 -0.012 0.000 0.315 223 A C -0.496 177.349 177.584 0.436 0.000 1.297 223 A CA -0.467 51.712 52.037 0.236 0.000 0.865 223 A CB 0.920 19.608 19.000 -0.519 0.000 1.165 223 A HN 0.793 nan 8.150 nan 0.000 0.513 224 M N 6.096 126.022 119.600 0.544 0.000 2.129 224 M HA 0.479 4.952 4.480 -0.012 0.000 0.348 224 M C -2.592 174.012 176.300 0.508 0.000 1.116 224 M CA -2.039 53.532 55.300 0.452 0.000 1.022 224 M CB 1.925 34.713 32.600 0.314 0.000 1.599 224 M HN 0.349 nan 8.290 nan 0.000 0.449 225 P HA 0.270 nan 4.420 nan 0.000 0.286 225 P C -1.951 175.321 177.300 -0.046 0.000 1.261 225 P CA -0.037 63.012 63.100 -0.084 0.000 0.821 225 P CB 0.611 32.044 31.700 -0.445 0.000 1.013 226 Y N 0.360 120.609 120.300 -0.086 0.000 2.361 226 Y HA 0.330 4.873 4.550 -0.012 0.000 0.337 226 Y C 0.012 175.911 175.900 -0.001 0.000 0.965 226 Y CA -0.284 57.824 58.100 0.012 0.000 1.091 226 Y CB 1.572 40.067 38.460 0.059 0.000 1.182 226 Y HN 0.217 nan 8.280 nan 0.000 0.450 227 D N 1.910 122.433 120.400 0.204 0.000 2.192 227 D HA 0.444 5.077 4.640 -0.012 0.000 0.246 227 D C -0.676 175.868 176.300 0.407 0.000 1.042 227 D CA -0.283 53.875 54.000 0.262 0.000 0.847 227 D CB 1.889 42.863 40.800 0.290 0.000 1.186 227 D HN 0.358 nan 8.370 nan 0.000 0.461 228 T N 3.003 117.704 114.554 0.244 0.000 2.824 228 T HA 0.474 4.816 4.350 -0.012 0.000 0.282 228 T C -2.535 172.025 174.700 -0.232 0.000 0.993 228 T CA -1.460 60.681 62.100 0.070 0.000 0.967 228 T CB 2.070 70.968 68.868 0.051 0.000 0.960 228 T HN 0.167 nan 8.240 nan 0.000 0.441 229 P HA 0.324 nan 4.420 nan 0.000 0.275 229 P C -1.003 175.968 177.300 -0.548 0.000 1.227 229 P CA -0.406 62.010 63.100 -1.140 0.000 0.781 229 P CB 0.836 31.557 31.700 -1.632 0.000 0.906 230 V N 4.934 124.593 119.914 -0.425 0.000 2.305 230 V HA 0.262 4.374 4.120 -0.012 0.000 0.275 230 V C -2.072 173.893 176.094 -0.215 0.000 1.020 230 V CA -1.907 60.237 62.300 -0.259 0.000 0.811 230 V CB 1.340 33.060 31.823 -0.172 0.000 1.031 230 V HN 0.551 nan 8.190 nan 0.000 0.439 231 P HA 0.274 nan 4.420 nan 0.000 0.280 231 P C 0.328 177.579 177.300 -0.082 0.000 1.244 231 P CA 0.307 63.320 63.100 -0.145 0.000 0.784 231 P CB 1.633 33.245 31.700 -0.148 0.000 0.913 232 G N 2.065 110.834 108.800 -0.052 0.000 2.562 232 G HA2 0.174 4.127 3.960 -0.012 0.000 0.275 232 G HA3 0.174 4.127 3.960 -0.012 0.000 0.275 232 G C -1.195 173.718 174.900 0.022 0.000 1.196 232 G CA -0.474 44.625 45.100 -0.002 0.000 0.908 232 G HN 0.471 nan 8.290 nan 0.000 0.524 233 Y N 0.572 120.836 120.300 -0.060 0.000 2.584 233 Y HA 0.258 4.800 4.550 -0.013 0.000 0.351 233 Y C 1.331 177.196 175.900 -0.059 0.000 1.030 233 Y CA -0.271 57.789 58.100 -0.066 0.000 1.332 233 Y CB 0.041 38.461 38.460 -0.067 0.000 1.148 233 Y HN 0.720 nan 8.280 nan 0.000 0.528 234 R N 2.705 122.885 120.500 -0.533 0.000 3.610 234 R HA -0.321 4.011 4.340 -0.012 0.000 0.274 234 R C 0.114 176.274 176.300 -0.234 0.000 1.123 234 R CA 1.498 57.320 56.100 -0.462 0.000 0.747 234 R CB -1.851 28.005 30.300 -0.739 0.000 1.149 234 R HN 0.942 nan 8.270 nan 0.000 0.471 235 N N -1.344 117.272 118.700 -0.140 0.000 2.177 235 N HA 0.071 4.803 4.740 -0.012 0.000 0.218 235 N C -0.251 175.214 175.510 -0.075 0.000 1.182 235 N CA -0.384 52.617 53.050 -0.083 0.000 0.882 235 N CB 0.526 38.990 38.487 -0.039 0.000 1.052 235 N HN 0.078 nan 8.380 nan 0.000 0.519 236 N N -0.136 118.515 118.700 -0.082 0.000 2.741 236 N HA -0.132 4.601 4.740 -0.012 0.000 0.251 236 N C -1.079 174.391 175.510 -0.067 0.000 1.112 236 N CA 0.547 53.557 53.050 -0.067 0.000 0.750 236 N CB -1.286 37.163 38.487 -0.063 0.000 1.119 236 N HN 0.198 nan 8.380 nan 0.000 0.561 237 V N 1.011 120.889 119.914 -0.060 0.000 2.427 237 V HA 0.504 4.616 4.120 -0.012 0.000 0.286 237 V C 0.476 176.540 176.094 -0.051 0.000 1.034 237 V CA -0.555 61.715 62.300 -0.051 0.000 0.893 237 V CB 2.270 34.088 31.823 -0.009 0.000 0.982 237 V HN -0.046 nan 8.190 nan 0.000 0.452 238 V N 5.313 125.200 119.914 -0.045 0.000 2.419 238 V HA 0.444 4.557 4.120 -0.012 0.000 0.287 238 V C -0.152 175.929 176.094 -0.021 0.000 1.017 238 V CA -0.846 61.401 62.300 -0.088 0.000 0.844 238 V CB 1.512 33.265 31.823 -0.116 0.000 1.011 238 V HN 0.839 nan 8.190 nan 0.000 0.429 239 N N 1.961 120.624 118.700 -0.061 0.000 2.448 239 N HA 0.593 5.325 4.740 -0.012 0.000 0.274 239 N C -0.046 175.455 175.510 -0.015 0.000 1.239 239 N CA -0.297 52.741 53.050 -0.020 0.000 0.982 239 N CB 1.219 39.659 38.487 -0.079 0.000 1.199 239 N HN 0.595 nan 8.380 nan 0.000 0.576 240 T N 0.655 115.212 114.554 0.004 0.000 2.841 240 T HA 0.429 4.772 4.350 -0.012 0.000 0.283 240 T C -0.292 174.391 174.700 -0.029 0.000 1.000 240 T CA -0.527 61.646 62.100 0.122 0.000 0.977 240 T CB 1.171 70.233 68.868 0.322 0.000 0.979 240 T HN 0.314 nan 8.240 nan 0.000 0.446 241 M N 3.591 123.144 119.600 -0.079 0.000 2.072 241 M HA 0.503 4.975 4.480 -0.012 0.000 0.331 241 M C -0.575 175.589 176.300 -0.226 0.000 1.004 241 M CA -0.759 54.400 55.300 -0.235 0.000 0.952 241 M CB 0.798 33.211 32.600 -0.312 0.000 1.511 241 M HN 0.500 nan 8.290 nan 0.000 0.422 242 R N 4.818 125.073 120.500 -0.408 0.000 2.265 242 R HA 0.532 4.865 4.340 -0.012 0.000 0.328 242 R C -1.939 174.094 176.300 -0.446 0.000 0.969 242 R CA -0.580 55.237 56.100 -0.473 0.000 0.832 242 R CB 0.851 30.688 30.300 -0.771 0.000 1.139 242 R HN 0.633 nan 8.270 nan 0.000 0.457 243 L N 5.583 126.651 121.223 -0.258 0.000 2.296 243 L HA 0.461 4.793 4.340 -0.012 0.000 0.286 243 L C -0.957 175.885 176.870 -0.047 0.000 1.023 243 L CA -0.556 54.229 54.840 -0.091 0.000 0.812 243 L CB 1.096 43.183 42.059 0.046 0.000 1.223 243 L HN 0.622 nan 8.230 nan 0.000 0.421 244 W N 2.286 123.723 121.300 0.229 0.000 2.376 244 W HA 0.595 5.248 4.660 -0.012 0.000 0.322 244 W C 0.555 177.311 176.519 0.396 0.000 1.160 244 W CA -0.274 57.232 57.345 0.268 0.000 1.218 244 W CB 1.413 30.901 29.460 0.048 0.000 1.205 244 W HN 0.432 nan 8.180 nan 0.000 0.559 245 S N 1.671 117.800 115.700 0.715 0.000 2.500 245 S HA 0.774 5.236 4.470 -0.012 0.000 0.301 245 S C -0.502 174.453 174.600 0.591 0.000 1.092 245 S CA -0.719 57.795 58.200 0.524 0.000 1.030 245 S CB 0.685 64.131 63.200 0.411 0.000 1.031 245 S HN 0.525 nan 8.310 nan 0.000 0.483 246 A N 4.632 127.637 122.820 0.308 0.000 2.366 246 A HA 0.661 4.973 4.320 -0.012 0.000 0.272 246 A C -0.118 177.565 177.584 0.166 0.000 1.135 246 A CA -0.273 51.857 52.037 0.154 0.000 0.804 246 A CB 0.378 19.213 19.000 -0.275 0.000 1.064 246 A HN 0.662 nan 8.150 nan 0.000 0.499 247 K N 1.052 121.568 120.400 0.194 0.000 2.468 247 K HA 0.603 4.915 4.320 -0.012 0.000 0.252 247 K C -0.676 175.996 176.600 0.119 0.000 0.932 247 K CA -0.441 55.934 56.287 0.146 0.000 0.794 247 K CB 2.306 34.905 32.500 0.164 0.000 1.241 247 K HN 0.843 nan 8.250 nan 0.000 0.428 248 A N 4.193 127.065 122.820 0.087 0.000 2.354 248 A HA 0.519 4.831 4.320 -0.012 0.000 0.269 248 A C -2.196 175.435 177.584 0.079 0.000 1.109 248 A CA -1.166 50.917 52.037 0.078 0.000 0.800 248 A CB -0.102 18.933 19.000 0.057 0.000 1.045 248 A HN 0.339 nan 8.150 nan 0.000 0.489 249 P HA 0.141 nan 4.420 nan 0.000 0.274 249 P C -0.170 177.173 177.300 0.073 0.000 1.237 249 P CA -0.409 62.739 63.100 0.080 0.000 0.793 249 P CB 0.617 32.374 31.700 0.095 0.000 0.977 250 N N 0.608 119.342 118.700 0.057 0.000 2.412 250 N HA -0.059 4.673 4.740 -0.012 0.000 0.184 250 N C 0.940 176.475 175.510 0.042 0.000 1.101 250 N CA 0.460 53.539 53.050 0.047 0.000 0.881 250 N CB -0.206 38.304 38.487 0.037 0.000 0.969 250 N HN 0.585 nan 8.380 nan 0.000 0.459 251 D N 0.695 121.118 120.400 0.039 0.000 2.099 251 D HA -0.089 4.544 4.640 -0.012 0.000 0.278 251 D C 1.469 177.787 176.300 0.031 0.000 1.140 251 D CA 0.015 54.009 54.000 -0.011 0.000 0.894 251 D CB -0.870 39.889 40.800 -0.069 0.000 0.945 251 D HN -0.099 nan 8.370 nan 0.000 0.338 252 F N 1.070 121.039 119.950 0.031 0.000 2.135 252 F HA -0.187 4.332 4.527 -0.012 0.000 0.300 252 F C 1.653 177.478 175.800 0.040 0.000 1.074 252 F CA 1.381 59.406 58.000 0.040 0.000 1.262 252 F CB -1.134 37.889 39.000 0.038 0.000 1.013 252 F HN 0.123 nan 8.300 nan 0.000 0.489 253 N N 0.371 119.207 118.700 0.227 0.000 2.906 253 N HA 0.084 4.817 4.740 -0.012 0.000 0.282 253 N C 0.861 176.426 175.510 0.092 0.000 1.293 253 N CA 0.173 53.302 53.050 0.132 0.000 1.059 253 N CB -0.052 38.490 38.487 0.093 0.000 1.388 253 N HN 0.122 nan 8.380 nan 0.000 0.533 254 L N -0.880 120.412 121.223 0.115 0.000 1.768 254 L HA -0.099 4.234 4.340 -0.012 0.000 0.209 254 L C 1.319 178.257 176.870 0.113 0.000 1.261 254 L CA 0.854 55.749 54.840 0.092 0.000 1.367 254 L CB -0.965 41.138 42.059 0.074 0.000 2.595 254 L HN 0.245 nan 8.230 nan 0.000 0.489 255 K N 0.248 120.693 120.400 0.075 0.000 2.296 255 K HA -0.034 4.278 4.320 -0.012 0.000 0.200 255 K C 0.511 177.170 176.600 0.098 0.000 1.048 255 K CA 1.034 57.316 56.287 -0.008 0.000 0.966 255 K CB -0.047 32.322 32.500 -0.218 0.000 0.754 255 K HN 0.147 nan 8.250 nan 0.000 0.466 256 D N 2.213 122.784 120.400 0.284 0.000 2.429 256 D HA -0.029 4.604 4.640 -0.012 0.000 0.253 256 D C -0.172 176.352 176.300 0.375 0.000 1.294 256 D CA -0.119 54.144 54.000 0.438 0.000 1.063 256 D CB -0.184 40.883 40.800 0.446 0.000 1.096 256 D HN 0.199 nan 8.370 nan 0.000 0.516 257 F N 1.228 121.225 119.950 0.079 0.000 2.331 257 F HA 0.291 4.811 4.527 -0.012 0.000 0.293 257 F C 0.600 176.431 175.800 0.052 0.000 1.277 257 F CA -1.885 56.148 58.000 0.056 0.000 1.204 257 F CB -0.340 38.680 39.000 0.033 0.000 1.374 257 F HN 0.339 nan 8.300 nan 0.000 0.520 258 N N -0.546 118.015 118.700 -0.231 0.000 3.506 258 N HA 0.062 4.795 4.740 -0.012 0.000 0.257 258 N C -1.603 173.841 175.510 -0.110 0.000 1.059 258 N CA 0.470 53.330 53.050 -0.317 0.000 0.672 258 N CB -0.928 37.247 38.487 -0.520 0.000 1.178 258 N HN 0.830 nan 8.380 nan 0.000 0.593 259 V N -1.632 118.267 119.914 -0.024 0.000 3.670 259 V HA -0.038 4.074 4.120 -0.012 0.000 0.524 259 V C 1.391 177.493 176.094 0.013 0.000 0.682 259 V CA 1.610 63.913 62.300 0.004 0.000 2.081 259 V CB -0.873 30.942 31.823 -0.014 0.000 2.492 259 V HN 1.036 nan 8.190 nan 0.000 0.515 260 G N 0.493 109.308 108.800 0.025 0.000 3.382 260 G HA2 0.641 4.593 3.960 -0.012 0.000 0.214 260 G HA3 0.641 4.593 3.960 -0.012 0.000 0.214 260 G C 1.049 175.967 174.900 0.031 0.000 1.025 260 G CA 1.121 46.234 45.100 0.022 0.000 0.869 260 G HN 3.106 nan 8.290 nan 0.000 0.458 261 G N -1.097 107.736 108.800 0.056 0.000 3.014 261 G HA2 0.278 4.231 3.960 -0.012 0.000 0.683 261 G HA3 0.278 4.231 3.960 -0.012 0.000 0.683 261 G C -0.070 174.887 174.900 0.095 0.000 1.271 261 G CA 0.239 45.383 45.100 0.073 0.000 0.843 261 G HN 1.513 nan 8.290 nan 0.000 0.612 262 Y N 3.326 123.642 120.300 0.027 0.000 2.163 262 Y HA -0.002 4.541 4.550 -0.012 0.000 0.288 262 Y C 2.510 178.425 175.900 0.025 0.000 1.136 262 Y CA 2.154 60.272 58.100 0.029 0.000 1.147 262 Y CB -0.011 38.464 38.460 0.025 0.000 0.987 262 Y HN 0.492 nan 8.280 nan 0.000 0.509 263 I N 0.588 121.089 120.570 -0.114 0.000 2.127 263 I HA -0.302 3.860 4.170 -0.012 0.000 0.241 263 I C 2.403 178.413 176.117 -0.179 0.000 1.075 263 I CA 1.483 62.665 61.300 -0.195 0.000 1.334 263 I CB -1.362 36.640 38.000 0.003 0.000 1.040 263 I HN 0.358 nan 8.210 nan 0.000 0.405 264 Q N 0.677 120.425 119.800 -0.086 0.000 2.096 264 Q HA -0.171 4.162 4.340 -0.012 0.000 0.204 264 Q C 2.366 178.318 176.000 -0.081 0.000 0.982 264 Q CA 2.113 57.880 55.803 -0.061 0.000 0.850 264 Q CB -0.454 28.270 28.738 -0.023 0.000 0.901 264 Q HN 0.547 nan 8.270 nan 0.000 0.422 265 A N -0.174 122.586 122.820 -0.099 0.000 1.892 265 A HA -0.170 4.142 4.320 -0.012 0.000 0.218 265 A C 2.415 179.929 177.584 -0.118 0.000 1.188 265 A CA 1.918 53.905 52.037 -0.083 0.000 0.631 265 A CB -0.815 18.149 19.000 -0.061 0.000 0.822 265 A HN 0.246 nan 8.150 nan 0.000 0.447 266 V N 0.114 119.889 119.914 -0.232 0.000 2.343 266 V HA -0.234 3.879 4.120 -0.012 0.000 0.247 266 V C 2.530 178.559 176.094 -0.108 0.000 1.051 266 V CA 1.856 64.036 62.300 -0.200 0.000 1.036 266 V CB -0.704 30.922 31.823 -0.329 0.000 0.654 266 V HN 0.567 nan 8.190 nan 0.000 0.451 267 L N -0.290 120.872 121.223 -0.101 0.000 2.141 267 L HA -0.142 4.191 4.340 -0.012 0.000 0.209 267 L C 1.961 178.811 176.870 -0.034 0.000 1.094 267 L CA 1.230 56.038 54.840 -0.054 0.000 0.763 267 L CB -0.651 41.380 42.059 -0.046 0.000 0.908 267 L HN 0.330 nan 8.230 nan 0.000 0.437 268 D N -0.016 120.362 120.400 -0.037 0.000 2.378 268 D HA -0.069 4.563 4.640 -0.012 0.000 0.227 268 D C 2.095 178.389 176.300 -0.010 0.000 1.012 268 D CA 0.446 54.434 54.000 -0.020 0.000 0.905 268 D CB 0.037 40.826 40.800 -0.018 0.000 0.895 268 D HN 0.236 nan 8.370 nan 0.000 0.532 269 R N 0.346 120.839 120.500 -0.011 0.000 2.148 269 R HA 0.026 4.359 4.340 -0.012 0.000 0.227 269 R C 0.464 176.770 176.300 0.009 0.000 1.103 269 R CA 0.480 56.582 56.100 0.005 0.000 0.983 269 R CB -0.017 30.286 30.300 0.005 0.000 0.874 269 R HN 0.057 nan 8.270 nan 0.000 0.451 270 N N 1.080 119.784 118.700 0.006 0.000 3.254 270 N HA 0.007 4.739 4.740 -0.012 0.000 0.308 270 N C 0.045 175.559 175.510 0.005 0.000 1.281 270 N CA 0.468 53.526 53.050 0.013 0.000 1.212 270 N CB 1.007 39.504 38.487 0.017 0.000 1.478 270 N HN 0.116 nan 8.380 nan 0.000 0.548 271 L N -0.603 120.619 121.223 -0.001 0.000 2.824 271 L HA 0.240 4.573 4.340 -0.012 0.000 0.284 271 L C 1.711 178.565 176.870 -0.027 0.000 1.031 271 L CA 0.468 55.301 54.840 -0.011 0.000 1.226 271 L CB -0.207 41.846 42.059 -0.010 0.000 2.283 271 L HN 0.205 nan 8.230 nan 0.000 0.569 272 A N -0.678 122.130 122.820 -0.020 0.000 1.984 272 A HA 0.043 4.356 4.320 -0.012 0.000 0.214 272 A C 1.754 179.306 177.584 -0.054 0.000 1.173 272 A CA 0.945 52.960 52.037 -0.037 0.000 0.673 272 A CB -0.168 18.839 19.000 0.011 0.000 0.830 272 A HN 0.413 nan 8.150 nan 0.000 0.453 273 E N 0.326 120.515 120.200 -0.018 0.000 2.482 273 E HA -0.056 4.286 4.350 -0.012 0.000 0.196 273 E C 0.833 177.426 176.600 -0.012 0.000 1.047 273 E CA 0.101 56.495 56.400 -0.009 0.000 0.869 273 E CB -0.081 29.637 29.700 0.030 0.000 0.836 273 E HN 0.414 nan 8.360 nan 0.000 0.520 274 N N 0.924 119.615 118.700 -0.015 0.000 2.459 274 N HA -0.046 4.686 4.740 -0.012 0.000 0.181 274 N C 1.560 177.069 175.510 -0.001 0.000 1.046 274 N CA 0.502 53.560 53.050 0.013 0.000 0.904 274 N CB 0.033 38.527 38.487 0.011 0.000 0.964 274 N HN 0.249 nan 8.380 nan 0.000 0.444 275 I N 0.291 120.804 120.570 -0.096 0.000 2.264 275 I HA -0.243 3.920 4.170 -0.012 0.000 0.248 275 I C 1.382 177.454 176.117 -0.076 0.000 1.111 275 I CA 1.220 62.426 61.300 -0.156 0.000 1.382 275 I CB -0.135 37.607 38.000 -0.429 0.000 1.060 275 I HN 0.125 nan 8.210 nan 0.000 0.418 276 S N -0.624 115.032 115.700 -0.073 0.000 2.575 276 S HA 0.180 4.642 4.470 -0.012 0.000 0.237 276 S C 1.484 176.215 174.600 0.218 0.000 0.975 276 S CA -0.557 57.684 58.200 0.067 0.000 0.960 276 S CB 0.236 63.455 63.200 0.033 0.000 0.822 276 S HN 0.216 nan 8.310 nan 0.000 0.472 277 R N 1.322 121.952 120.500 0.216 0.000 2.062 277 R HA 0.246 4.579 4.340 -0.012 0.000 0.229 277 R C 0.457 177.006 176.300 0.416 0.000 1.128 277 R CA 1.243 57.517 56.100 0.288 0.000 0.960 277 R CB -0.218 30.218 30.300 0.227 0.000 0.855 277 R HN 0.395 nan 8.270 nan 0.000 0.432 278 V N 0.217 120.329 119.914 0.331 0.000 3.012 278 V HA 0.381 4.494 4.120 -0.012 0.000 0.307 278 V C -1.566 174.487 176.094 -0.068 0.000 1.166 278 V CA -1.368 61.052 62.300 0.201 0.000 0.974 278 V CB 1.802 33.668 31.823 0.072 0.000 1.040 278 V HN 0.174 nan 8.190 nan 0.000 0.428 279 L N 6.132 127.093 121.223 -0.437 0.000 2.349 279 L HA 0.516 4.849 4.340 -0.012 0.000 0.275 279 L C -0.925 175.774 176.870 -0.284 0.000 1.115 279 L CA 0.354 54.722 54.840 -0.787 0.000 0.820 279 L CB 0.730 42.219 42.059 -0.950 0.000 1.135 279 L HN 0.695 nan 8.230 nan 0.000 0.445 280 Y N 6.284 126.495 120.300 -0.149 0.000 2.496 280 Y HA 0.225 4.767 4.550 -0.012 0.000 0.334 280 Y C -1.440 174.453 175.900 -0.013 0.000 1.080 280 Y CA -1.310 56.776 58.100 -0.024 0.000 1.355 280 Y CB 0.450 38.919 38.460 0.015 0.000 1.193 280 Y HN 0.560 nan 8.280 nan 0.000 0.523 281 P HA 0.022 nan 4.420 nan 0.000 0.249 281 P C -0.934 176.496 177.300 0.217 0.000 1.593 281 P CA 0.137 63.342 63.100 0.175 0.000 0.896 281 P CB 0.017 31.916 31.700 0.331 0.000 1.581 282 N N 1.186 120.022 118.700 0.228 0.000 2.421 282 N HA 0.186 4.918 4.740 -0.012 0.000 0.285 282 N C -0.736 174.921 175.510 0.245 0.000 1.027 282 N CA -0.027 53.181 53.050 0.264 0.000 0.918 282 N CB 1.225 39.916 38.487 0.339 0.000 1.152 282 N HN 0.071 nan 8.380 nan 0.000 0.485 283 D N 0.989 121.555 120.400 0.277 0.000 2.349 283 D HA 0.225 4.857 4.640 -0.012 0.000 0.232 283 D C -0.217 176.358 176.300 0.459 0.000 1.071 283 D CA -0.317 53.878 54.000 0.326 0.000 0.832 283 D CB 0.231 41.228 40.800 0.328 0.000 1.086 283 D HN 0.321 nan 8.370 nan 0.000 0.504 284 N N 2.904 121.817 118.700 0.355 0.000 2.740 284 N HA -0.241 4.491 4.740 -0.012 0.000 0.248 284 N C -1.380 174.371 175.510 0.402 0.000 1.062 284 N CA 0.663 53.902 53.050 0.314 0.000 0.704 284 N CB -0.771 37.858 38.487 0.237 0.000 0.968 284 N HN 0.373 nan 8.380 nan 0.000 0.547 285 F N 0.743 120.800 119.950 0.179 0.000 2.588 285 F HA 0.482 5.002 4.527 -0.013 0.000 0.314 285 F C -1.296 174.587 175.800 0.140 0.000 1.134 285 F CA -1.273 56.803 58.000 0.126 0.000 0.961 285 F CB 0.910 39.945 39.000 0.059 0.000 1.239 285 F HN -0.051 nan 8.300 nan 0.000 0.448 286 F N 5.727 125.190 119.950 -0.812 0.000 2.410 286 F HA 0.520 5.040 4.527 -0.012 0.000 0.349 286 F C -0.567 174.665 175.800 -0.947 0.000 1.117 286 F CA -0.339 57.242 58.000 -0.699 0.000 1.104 286 F CB 0.899 39.580 39.000 -0.532 0.000 1.122 286 F HN 0.556 nan 8.300 nan 0.000 0.483 287 E N 3.775 123.241 120.200 -1.222 0.000 2.182 287 E HA 0.308 4.651 4.350 -0.012 0.000 0.258 287 E C -0.257 175.548 176.600 -1.325 0.000 0.879 287 E CA -0.682 55.112 56.400 -1.010 0.000 0.754 287 E CB 1.276 30.763 29.700 -0.354 0.000 1.162 287 E HN 0.942 nan 8.360 nan 0.000 0.419 288 G N 4.781 112.717 108.800 -1.440 0.000 3.101 288 G HA2 0.041 3.994 3.960 -0.012 0.000 0.272 288 G HA3 0.041 3.994 3.960 -0.012 0.000 0.272 288 G C 0.002 174.815 174.900 -0.145 0.000 0.801 288 G CA -0.162 44.338 45.100 -0.999 0.000 1.978 288 G HN 0.137 nan 8.290 nan 0.000 0.591 289 K N 0.644 121.038 120.400 -0.010 0.000 2.138 289 K HA 0.222 4.534 4.320 -0.012 0.000 0.263 289 K C 0.939 177.669 176.600 0.218 0.000 0.965 289 K CA -0.812 55.545 56.287 0.116 0.000 0.868 289 K CB 2.321 34.882 32.500 0.101 0.000 1.083 289 K HN 0.455 nan 8.250 nan 0.000 0.443 290 E N 1.513 121.806 120.200 0.155 0.000 2.085 290 E HA -0.212 4.130 4.350 -0.012 0.000 0.194 290 E C 1.478 178.102 176.600 0.040 0.000 0.994 290 E CA 1.043 57.485 56.400 0.071 0.000 0.801 290 E CB 0.174 29.918 29.700 0.074 0.000 0.743 290 E HN 0.395 nan 8.360 nan 0.000 0.453 291 L N 1.324 122.615 121.223 0.114 0.000 2.079 291 L HA -0.173 4.160 4.340 -0.012 0.000 0.210 291 L C 2.375 179.344 176.870 0.166 0.000 1.081 291 L CA 1.610 56.538 54.840 0.146 0.000 0.752 291 L CB -0.527 41.684 42.059 0.253 0.000 0.896 291 L HN 0.016 nan 8.230 nan 0.000 0.433 292 R N -0.408 120.148 120.500 0.093 0.000 2.081 292 R HA -0.123 4.210 4.340 -0.012 0.000 0.235 292 R C 2.199 178.542 176.300 0.072 0.000 1.131 292 R CA 1.745 57.831 56.100 -0.024 0.000 0.960 292 R CB -1.279 28.850 30.300 -0.286 0.000 0.856 292 R HN 0.440 nan 8.270 nan 0.000 0.436 293 L N 1.249 122.416 121.223 -0.094 0.000 2.083 293 L HA -0.102 4.230 4.340 -0.012 0.000 0.209 293 L C 1.898 178.705 176.870 -0.105 0.000 1.083 293 L CA 1.877 56.456 54.840 -0.434 0.000 0.752 293 L CB -0.391 41.094 42.059 -0.957 0.000 0.899 293 L HN 0.054 nan 8.230 nan 0.000 0.433 294 K N -1.041 119.352 120.400 -0.013 0.000 2.057 294 K HA -0.180 4.133 4.320 -0.012 0.000 0.207 294 K C 2.106 178.867 176.600 0.269 0.000 1.049 294 K CA 1.737 58.096 56.287 0.120 0.000 0.931 294 K CB -0.142 32.268 32.500 -0.150 0.000 0.714 294 K HN 0.492 nan 8.250 nan 0.000 0.440 295 Q N 0.505 120.425 119.800 0.200 0.000 2.084 295 Q HA -0.196 4.136 4.340 -0.012 0.000 0.202 295 Q C 1.946 178.139 176.000 0.322 0.000 0.978 295 Q CA 1.478 57.450 55.803 0.282 0.000 0.844 295 Q CB -0.021 28.904 28.738 0.311 0.000 0.898 295 Q HN 0.377 nan 8.270 nan 0.000 0.426 296 E N -0.193 120.151 120.200 0.240 0.000 2.077 296 E HA -0.215 4.127 4.350 -0.012 0.000 0.193 296 E C 1.740 178.450 176.600 0.184 0.000 0.989 296 E CA 1.073 57.599 56.400 0.209 0.000 0.800 296 E CB -0.138 29.663 29.700 0.167 0.000 0.746 296 E HN 0.327 nan 8.360 nan 0.000 0.452 297 Y N 0.351 120.693 120.300 0.069 0.000 2.263 297 Y HA -0.194 4.349 4.550 -0.012 0.000 0.292 297 Y C 1.943 177.874 175.900 0.051 0.000 1.130 297 Y CA 0.980 59.073 58.100 -0.013 0.000 1.179 297 Y CB -0.363 38.046 38.460 -0.084 0.000 0.998 297 Y HN 0.017 nan 8.280 nan 0.000 0.532 298 F N -0.271 119.667 119.950 -0.019 0.000 2.065 298 F HA -0.256 4.263 4.527 -0.012 0.000 0.298 298 F C 2.496 178.146 175.800 -0.250 0.000 1.112 298 F CA 2.125 60.072 58.000 -0.089 0.000 1.212 298 F CB -1.107 37.994 39.000 0.168 0.000 0.975 298 F HN -0.074 nan 8.300 nan 0.000 0.476 299 V N -0.340 119.552 119.914 -0.036 0.000 2.407 299 V HA -0.214 3.899 4.120 -0.012 0.000 0.248 299 V C 2.179 178.122 176.094 -0.252 0.000 1.055 299 V CA 1.979 64.210 62.300 -0.116 0.000 1.049 299 V CB -0.419 31.537 31.823 0.223 0.000 0.662 299 V HN 0.290 nan 8.190 nan 0.000 0.455 300 V N 0.388 120.159 119.914 -0.239 0.000 2.307 300 V HA -0.170 3.943 4.120 -0.012 0.000 0.245 300 V C 2.817 178.643 176.094 -0.448 0.000 1.045 300 V CA 2.115 64.255 62.300 -0.266 0.000 1.024 300 V CB -1.116 30.606 31.823 -0.167 0.000 0.651 300 V HN 0.647 nan 8.190 nan 0.000 0.449 301 A N -0.082 122.295 122.820 -0.739 0.000 1.877 301 A HA -0.145 4.167 4.320 -0.012 0.000 0.216 301 A C 2.405 179.613 177.584 -0.628 0.000 1.186 301 A CA 2.274 53.869 52.037 -0.735 0.000 0.620 301 A CB -0.864 17.467 19.000 -1.115 0.000 0.822 301 A HN 0.574 nan 8.150 nan 0.000 0.443 302 A N -1.156 121.134 122.820 -0.884 0.000 1.873 302 A HA -0.062 4.251 4.320 -0.012 0.000 0.215 302 A C 2.317 179.428 177.584 -0.789 0.000 1.186 302 A CA 2.276 53.628 52.037 -1.142 0.000 0.616 302 A CB -1.311 16.359 19.000 -2.217 0.000 0.823 302 A HN 0.432 nan 8.150 nan 0.000 0.442 303 T N 0.488 114.698 114.554 -0.574 0.000 2.684 303 T HA -0.120 4.223 4.350 -0.012 0.000 0.267 303 T C 1.825 176.254 174.700 -0.451 0.000 1.036 303 T CA 1.504 63.371 62.100 -0.388 0.000 1.148 303 T CB -0.400 68.230 68.868 -0.396 0.000 0.863 303 T HN 0.338 nan 8.240 nan 0.000 0.436 304 L N 0.633 121.636 121.223 -0.367 0.000 2.083 304 L HA -0.163 4.170 4.340 -0.012 0.000 0.209 304 L C 2.932 179.676 176.870 -0.210 0.000 1.083 304 L CA 1.386 56.059 54.840 -0.279 0.000 0.752 304 L CB -0.472 41.462 42.059 -0.210 0.000 0.899 304 L HN 0.361 nan 8.230 nan 0.000 0.433 305 Q N -0.627 119.051 119.800 -0.205 0.000 2.084 305 Q HA -0.249 4.084 4.340 -0.012 0.000 0.202 305 Q C 1.771 177.731 176.000 -0.068 0.000 0.978 305 Q CA 1.705 57.437 55.803 -0.118 0.000 0.844 305 Q CB -0.079 28.579 28.738 -0.133 0.000 0.898 305 Q HN 0.400 nan 8.270 nan 0.000 0.426 306 D N 0.462 120.817 120.400 -0.076 0.000 2.117 306 D HA -0.098 4.535 4.640 -0.012 0.000 0.197 306 D C 1.659 177.898 176.300 -0.101 0.000 0.987 306 D CA 0.838 54.837 54.000 -0.001 0.000 0.829 306 D CB -0.014 40.886 40.800 0.166 0.000 0.961 306 D HN 0.167 nan 8.370 nan 0.000 0.460 307 I N 0.027 120.430 120.570 -0.278 0.000 2.179 307 I HA -0.228 3.934 4.170 -0.012 0.000 0.242 307 I C 2.265 178.378 176.117 -0.007 0.000 1.088 307 I CA 0.722 61.798 61.300 -0.374 0.000 1.357 307 I CB -0.078 37.546 38.000 -0.626 0.000 1.051 307 I HN 0.028 nan 8.210 nan 0.000 0.409 308 I N 0.181 120.798 120.570 0.078 0.000 2.252 308 I HA -0.266 3.896 4.170 -0.012 0.000 0.245 308 I C 2.765 179.024 176.117 0.237 0.000 1.102 308 I CA 1.004 62.462 61.300 0.262 0.000 1.385 308 I CB -0.357 37.748 38.000 0.177 0.000 1.064 308 I HN 0.174 nan 8.210 nan 0.000 0.414 309 R N 1.189 121.761 120.500 0.120 0.000 2.080 309 R HA -0.236 4.097 4.340 -0.012 0.000 0.236 309 R C 2.474 178.834 176.300 0.100 0.000 1.137 309 R CA 1.824 57.981 56.100 0.095 0.000 0.943 309 R CB -0.298 30.037 30.300 0.058 0.000 0.846 309 R HN 0.197 nan 8.270 nan 0.000 0.431 310 R N -0.640 119.917 120.500 0.095 0.000 2.091 310 R HA -0.187 4.146 4.340 -0.012 0.000 0.238 310 R C 2.218 178.611 176.300 0.155 0.000 1.136 310 R CA 1.926 58.093 56.100 0.111 0.000 0.959 310 R CB -0.409 29.951 30.300 0.100 0.000 0.856 310 R HN 0.298 nan 8.270 nan 0.000 0.437 311 F N 1.565 121.537 119.950 0.035 0.000 2.113 311 F HA -0.129 4.391 4.527 -0.012 0.000 0.297 311 F C 1.714 177.477 175.800 -0.062 0.000 1.103 311 F CA 1.508 59.495 58.000 -0.021 0.000 1.248 311 F CB -0.063 38.953 39.000 0.028 0.000 0.999 311 F HN -0.152 nan 8.300 nan 0.000 0.475 312 K N 0.034 120.368 120.400 -0.110 0.000 2.281 312 K HA -0.118 4.195 4.320 -0.012 0.000 0.203 312 K C 2.130 178.640 176.600 -0.149 0.000 1.046 312 K CA 1.309 57.463 56.287 -0.222 0.000 0.938 312 K CB -0.244 32.252 32.500 -0.007 0.000 0.737 312 K HN 0.291 nan 8.250 nan 0.000 0.458 313 S N 0.243 115.914 115.700 -0.047 0.000 2.303 313 S HA -0.059 4.404 4.470 -0.012 0.000 0.207 313 S C 1.330 175.949 174.600 0.032 0.000 1.025 313 S CA 0.338 58.561 58.200 0.039 0.000 0.953 313 S CB -0.127 63.151 63.200 0.130 0.000 0.932 313 S HN 0.283 nan 8.310 nan 0.000 0.472 314 S N 0.704 116.434 115.700 0.049 0.000 4.103 314 S HA -0.297 4.165 4.470 -0.012 0.000 0.538 314 S C 0.975 175.577 174.600 0.003 0.000 1.351 314 S CA 2.124 60.358 58.200 0.056 0.000 3.695 314 S CB -0.640 62.629 63.200 0.114 0.000 1.942 314 S HN 0.485 nan 8.310 nan 0.000 0.539 315 K N -0.605 119.819 120.400 0.041 0.000 2.483 315 K HA 0.440 4.752 4.320 -0.012 0.000 0.206 315 K C 0.829 177.279 176.600 -0.251 0.000 1.086 315 K CA 0.024 56.222 56.287 -0.148 0.000 1.052 315 K CB 0.221 32.580 32.500 -0.235 0.000 0.904 315 K HN 0.342 nan 8.250 nan 0.000 0.557 316 F N -0.959 118.857 119.950 -0.224 0.000 2.530 316 F HA 0.234 4.754 4.527 -0.013 0.000 0.292 316 F C 1.826 177.514 175.800 -0.187 0.000 1.109 316 F CA 0.180 58.038 58.000 -0.237 0.000 1.450 316 F CB 0.067 38.819 39.000 -0.414 0.000 1.114 316 F HN 0.010 nan 8.300 nan 0.000 0.560 317 G N -1.631 107.187 108.800 0.031 0.000 3.414 317 G HA2 0.218 4.170 3.960 -0.012 0.000 0.258 317 G HA3 0.218 4.170 3.960 -0.012 0.000 0.258 317 G C 0.389 175.291 174.900 0.004 0.000 1.348 317 G CA 0.427 45.531 45.100 0.006 0.000 1.319 317 G HN 0.430 nan 8.290 nan 0.000 0.555 318 C N -1.473 117.813 119.300 -0.023 0.000 3.330 318 C HA 0.363 4.816 4.460 -0.012 0.000 0.411 318 C C 1.346 176.305 174.990 -0.052 0.000 1.640 318 C CA 0.743 59.740 59.018 -0.035 0.000 2.082 318 C CB 0.533 28.239 27.740 -0.057 0.000 2.488 318 C HN 0.573 nan 8.230 nan 0.000 0.520 319 R N 1.009 121.453 120.500 -0.093 0.000 3.039 319 R HA 0.376 4.709 4.340 -0.012 0.000 0.092 319 R C -0.341 175.867 176.300 -0.153 0.000 0.608 319 R CA 0.924 56.965 56.100 -0.098 0.000 0.426 319 R CB -1.008 29.236 30.300 -0.092 0.000 0.385 319 R HN 0.275 nan 8.270 nan 0.000 0.326 320 D N -0.296 119.978 120.400 -0.210 0.000 3.555 320 D HA -0.133 4.499 4.640 -0.012 0.000 0.215 320 D C -1.636 174.577 176.300 -0.145 0.000 1.480 320 D CA 1.462 55.289 54.000 -0.287 0.000 1.126 320 D CB -1.268 39.169 40.800 -0.605 0.000 0.676 320 D HN 0.416 nan 8.370 nan 0.000 0.824 321 P HA 0.069 nan 4.420 nan 0.000 0.230 321 P C 0.326 177.623 177.300 -0.004 0.000 1.158 321 P CA 0.725 63.810 63.100 -0.025 0.000 0.769 321 P CB 0.245 31.960 31.700 0.024 0.000 0.807 322 V N -0.395 119.517 119.914 -0.004 0.000 3.585 322 V HA -0.224 3.889 4.120 -0.012 0.000 0.489 322 V C -0.185 175.930 176.094 0.035 0.000 0.682 322 V CA 1.240 63.546 62.300 0.011 0.000 2.013 322 V CB -1.258 30.563 31.823 -0.004 0.000 2.442 322 V HN 0.577 nan 8.190 nan 0.000 0.504 323 R N 2.791 123.321 120.500 0.050 0.000 6.670 323 R HA -0.000 4.332 4.340 -0.012 0.000 0.263 323 R C 0.079 176.425 176.300 0.075 0.000 0.788 323 R CA 0.507 56.644 56.100 0.062 0.000 1.667 323 R CB -0.304 30.035 30.300 0.065 0.000 1.337 323 R HN 0.837 nan 8.270 nan 0.000 0.799 324 T N 2.658 117.248 114.554 0.061 0.000 3.042 324 T HA -0.069 4.274 4.350 -0.012 0.000 0.220 324 T C 0.282 175.012 174.700 0.049 0.000 1.051 324 T CA 0.425 62.528 62.100 0.005 0.000 2.347 324 T CB -0.828 68.078 68.868 0.063 0.000 1.061 324 T HN 0.362 nan 8.240 nan 0.000 0.540 325 N N 1.328 120.064 118.700 0.061 0.000 2.437 325 N HA 0.272 5.005 4.740 -0.012 0.000 0.243 325 N C 0.172 175.744 175.510 0.103 0.000 1.041 325 N CA -0.527 52.607 53.050 0.139 0.000 0.940 325 N CB 0.326 38.912 38.487 0.165 0.000 1.133 325 N HN 0.368 nan 8.380 nan 0.000 0.506 326 F N 0.715 120.739 119.950 0.122 0.000 2.795 326 F HA -0.003 4.516 4.527 -0.012 0.000 0.303 326 F C 1.595 177.433 175.800 0.062 0.000 1.186 326 F CA 0.231 58.270 58.000 0.064 0.000 1.415 326 F CB 0.093 39.017 39.000 -0.127 0.000 1.106 326 F HN 0.549 nan 8.300 nan 0.000 0.558 327 D N 0.181 120.710 120.400 0.214 0.000 2.218 327 D HA -0.123 4.510 4.640 -0.012 0.000 0.204 327 D C 2.131 178.529 176.300 0.163 0.000 0.976 327 D CA 1.193 55.292 54.000 0.164 0.000 0.853 327 D CB 0.132 41.019 40.800 0.145 0.000 0.939 327 D HN 0.343 nan 8.370 nan 0.000 0.481 328 A N -0.104 122.841 122.820 0.207 0.000 2.275 328 A HA 0.049 4.362 4.320 -0.012 0.000 0.212 328 A C 1.572 179.223 177.584 0.111 0.000 1.201 328 A CA -0.338 51.832 52.037 0.221 0.000 0.843 328 A CB -0.456 18.804 19.000 0.434 0.000 0.873 328 A HN 0.078 nan 8.150 nan 0.000 0.492 329 F N 2.205 122.028 119.950 -0.212 0.000 2.063 329 F HA -0.139 4.381 4.527 -0.012 0.000 0.298 329 F C -0.842 174.802 175.800 -0.261 0.000 1.109 329 F CA 2.452 60.110 58.000 -0.569 0.000 1.212 329 F CB -0.827 37.873 39.000 -0.500 0.000 0.973 329 F HN 0.195 nan 8.300 nan 0.000 0.480 330 P HA -0.086 nan 4.420 nan 0.000 0.226 330 P C 0.765 178.010 177.300 -0.092 0.000 1.153 330 P CA 1.439 64.483 63.100 -0.093 0.000 0.777 330 P CB -0.076 31.611 31.700 -0.021 0.000 0.794 331 D N -0.869 119.505 120.400 -0.044 0.000 2.323 331 D HA -0.017 4.616 4.640 -0.012 0.000 0.209 331 D C 1.517 177.817 176.300 -0.000 0.000 0.973 331 D CA 0.861 54.866 54.000 0.008 0.000 0.874 331 D CB 0.149 40.996 40.800 0.078 0.000 0.930 331 D HN 0.128 nan 8.370 nan 0.000 0.521 332 K N -0.113 120.249 120.400 -0.064 0.000 2.412 332 K HA 0.216 4.529 4.320 -0.012 0.000 0.202 332 K C 0.023 176.523 176.600 -0.168 0.000 1.102 332 K CA 0.075 56.336 56.287 -0.043 0.000 1.027 332 K CB 2.266 34.835 32.500 0.115 0.000 0.931 332 K HN -0.063 nan 8.250 nan 0.000 0.557 333 V N 0.919 120.626 119.914 -0.345 0.000 2.709 333 V HA 0.690 4.802 4.120 -0.012 0.000 0.308 333 V C -1.154 174.823 176.094 -0.196 0.000 1.062 333 V CA -1.224 60.871 62.300 -0.342 0.000 0.901 333 V CB 1.915 33.230 31.823 -0.848 0.000 1.003 333 V HN 0.124 nan 8.190 nan 0.000 0.425 334 A N 5.446 128.211 122.820 -0.091 0.000 2.381 334 A HA 0.886 5.199 4.320 -0.012 0.000 0.299 334 A C -1.110 176.479 177.584 0.009 0.000 1.049 334 A CA -0.386 51.630 52.037 -0.035 0.000 0.715 334 A CB 1.033 19.958 19.000 -0.125 0.000 1.222 334 A HN 0.740 nan 8.150 nan 0.000 0.428 335 I N 2.016 122.647 120.570 0.102 0.000 2.382 335 I HA 0.313 4.475 4.170 -0.012 0.000 0.286 335 I C -0.294 175.913 176.117 0.149 0.000 1.002 335 I CA -0.623 60.756 61.300 0.131 0.000 1.135 335 I CB 1.919 39.982 38.000 0.105 0.000 1.288 335 I HN 0.698 nan 8.210 nan 0.000 0.448 336 Q N 6.881 126.770 119.800 0.148 0.000 2.314 336 Q HA 0.485 4.818 4.340 -0.012 0.000 0.259 336 Q C -1.281 174.728 176.000 0.015 0.000 0.951 336 Q CA -0.233 55.692 55.803 0.204 0.000 0.909 336 Q CB 1.296 30.274 28.738 0.400 0.000 1.236 336 Q HN 0.574 nan 8.270 nan 0.000 0.444 337 L N 3.916 125.189 121.223 0.083 0.000 2.261 337 L HA 0.387 4.720 4.340 -0.012 0.000 0.289 337 L C 0.044 176.961 176.870 0.078 0.000 1.059 337 L CA -0.743 54.136 54.840 0.066 0.000 0.816 337 L CB 0.613 42.758 42.059 0.143 0.000 1.191 337 L HN 0.572 nan 8.230 nan 0.000 0.431 338 N N 4.397 123.060 118.700 -0.062 0.000 2.508 338 N HA 0.062 4.795 4.740 -0.012 0.000 0.253 338 N C -0.166 175.390 175.510 0.078 0.000 1.145 338 N CA 0.564 53.637 53.050 0.039 0.000 0.973 338 N CB -0.091 38.333 38.487 -0.105 0.000 1.305 338 N HN 0.613 nan 8.380 nan 0.000 0.506 339 D N -0.179 120.369 120.400 0.247 0.000 4.808 339 D HA -0.217 4.415 4.640 -0.012 0.000 0.304 339 D C 0.354 176.750 176.300 0.161 0.000 2.360 339 D CA 1.463 55.584 54.000 0.202 0.000 1.222 339 D CB -0.572 40.059 40.800 -0.282 0.000 1.085 339 D HN 0.488 nan 8.370 nan 0.000 1.266 340 T N -2.407 112.157 114.554 0.016 0.000 3.129 340 T HA 0.098 4.441 4.350 -0.012 0.000 0.251 340 T C 1.659 176.408 174.700 0.082 0.000 1.117 340 T CA 1.525 63.608 62.100 -0.027 0.000 1.034 340 T CB -0.507 68.312 68.868 -0.081 0.000 0.968 340 T HN 0.511 nan 8.240 nan 0.000 0.526 341 H N 2.675 121.825 119.070 0.135 0.000 2.353 341 H HA -0.025 4.524 4.556 -0.012 0.000 0.298 341 H C -0.798 174.613 175.328 0.138 0.000 1.103 341 H CA 1.215 57.358 56.048 0.158 0.000 1.293 341 H CB -0.906 28.951 29.762 0.159 0.000 1.372 341 H HN 0.445 nan 8.280 nan 0.000 0.501 342 P HA 0.065 nan 4.420 nan 0.000 0.263 342 P C 0.875 178.217 177.300 0.070 0.000 1.448 342 P CA 0.434 63.613 63.100 0.131 0.000 0.983 342 P CB 0.323 32.089 31.700 0.111 0.000 1.481 343 S N -0.039 115.693 115.700 0.054 0.000 2.419 343 S HA -0.150 4.313 4.470 -0.012 0.000 0.235 343 S C 1.749 176.350 174.600 0.002 0.000 1.019 343 S CA 0.866 59.060 58.200 -0.011 0.000 0.982 343 S CB -1.567 61.600 63.200 -0.055 0.000 0.789 343 S HN 0.151 nan 8.310 nan 0.000 0.490 344 L N 0.932 122.171 121.223 0.028 0.000 2.549 344 L HA 0.031 4.364 4.340 -0.012 0.000 0.229 344 L C 2.894 179.798 176.870 0.057 0.000 1.158 344 L CA 0.603 55.463 54.840 0.034 0.000 0.842 344 L CB -0.705 41.375 42.059 0.036 0.000 0.952 344 L HN 0.490 nan 8.230 nan 0.000 0.452 345 A N 0.417 123.251 122.820 0.023 0.000 1.972 345 A HA -0.181 4.131 4.320 -0.012 0.000 0.219 345 A C 2.166 179.747 177.584 -0.004 0.000 1.169 345 A CA 1.396 53.432 52.037 -0.002 0.000 0.635 345 A CB -0.414 18.576 19.000 -0.016 0.000 0.810 345 A HN 0.364 nan 8.150 nan 0.000 0.446 346 I N 0.306 120.876 120.570 0.000 0.000 2.133 346 I HA -0.138 4.024 4.170 -0.012 0.000 0.238 346 I C -0.382 175.753 176.117 0.030 0.000 1.074 346 I CA 1.538 62.837 61.300 -0.001 0.000 1.342 346 I CB -0.872 37.133 38.000 0.008 0.000 1.053 346 I HN 0.242 nan 8.210 nan 0.000 0.404 347 P HA -0.160 nan 4.420 nan 0.000 0.223 347 P C 1.235 178.545 177.300 0.016 0.000 1.151 347 P CA 1.425 64.555 63.100 0.051 0.000 0.787 347 P CB 0.048 31.798 31.700 0.083 0.000 0.788 348 E N 0.188 120.460 120.200 0.120 0.000 2.107 348 E HA -0.128 4.214 4.350 -0.012 0.000 0.191 348 E C 1.893 178.466 176.600 -0.044 0.000 0.982 348 E CA 0.550 57.033 56.400 0.137 0.000 0.809 348 E CB -1.146 28.686 29.700 0.220 0.000 0.756 348 E HN -0.022 nan 8.360 nan 0.000 0.459 349 L N 0.049 121.220 121.223 -0.087 0.000 2.083 349 L HA -0.073 4.259 4.340 -0.012 0.000 0.209 349 L C 2.024 178.744 176.870 -0.250 0.000 1.083 349 L CA 1.705 56.435 54.840 -0.183 0.000 0.752 349 L CB -0.560 41.395 42.059 -0.173 0.000 0.899 349 L HN 0.244 nan 8.230 nan 0.000 0.433 350 M N -0.807 118.662 119.600 -0.218 0.000 2.086 350 M HA -0.200 4.273 4.480 -0.012 0.000 0.261 350 M C 2.423 178.544 176.300 -0.298 0.000 1.067 350 M CA 1.529 56.644 55.300 -0.308 0.000 1.116 350 M CB -1.171 31.233 32.600 -0.327 0.000 1.348 350 M HN 0.314 nan 8.290 nan 0.000 0.407 351 R N 0.015 120.365 120.500 -0.250 0.000 2.094 351 R HA -0.155 4.177 4.340 -0.012 0.000 0.239 351 R C 2.074 178.256 176.300 -0.197 0.000 1.137 351 R CA 1.886 57.842 56.100 -0.241 0.000 0.943 351 R CB -0.277 29.830 30.300 -0.322 0.000 0.850 351 R HN 0.204 nan 8.270 nan 0.000 0.433 352 V N 1.372 121.169 119.914 -0.195 0.000 2.295 352 V HA -0.260 3.852 4.120 -0.012 0.000 0.246 352 V C 2.423 178.344 176.094 -0.290 0.000 1.049 352 V CA 1.833 64.011 62.300 -0.203 0.000 1.024 352 V CB -0.415 31.285 31.823 -0.206 0.000 0.648 352 V HN 0.353 nan 8.190 nan 0.000 0.447 353 L N -0.697 120.291 121.223 -0.392 0.000 2.046 353 L HA -0.145 4.187 4.340 -0.012 0.000 0.208 353 L C 2.372 179.047 176.870 -0.325 0.000 1.077 353 L CA 1.156 55.702 54.840 -0.490 0.000 0.747 353 L CB -0.597 41.134 42.059 -0.546 0.000 0.896 353 L HN 0.209 nan 8.230 nan 0.000 0.432 354 V N -0.594 119.168 119.914 -0.254 0.000 2.300 354 V HA -0.183 3.929 4.120 -0.012 0.000 0.241 354 V C 2.020 178.059 176.094 -0.093 0.000 1.034 354 V CA 1.675 63.886 62.300 -0.148 0.000 1.021 354 V CB -0.356 31.398 31.823 -0.113 0.000 0.662 354 V HN 0.337 nan 8.190 nan 0.000 0.458 355 D N 0.099 120.441 120.400 -0.097 0.000 2.117 355 D HA -0.067 4.566 4.640 -0.012 0.000 0.198 355 D C 2.047 178.310 176.300 -0.061 0.000 0.982 355 D CA 1.313 55.274 54.000 -0.065 0.000 0.828 355 D CB -0.025 40.731 40.800 -0.072 0.000 0.967 355 D HN 0.328 nan 8.370 nan 0.000 0.464 356 L N 0.190 121.360 121.223 -0.088 0.000 2.269 356 L HA 0.090 4.423 4.340 -0.012 0.000 0.200 356 L C 1.935 178.763 176.870 -0.070 0.000 1.069 356 L CA 0.531 55.330 54.840 -0.069 0.000 0.804 356 L CB -0.134 41.883 42.059 -0.070 0.000 0.987 356 L HN -0.169 nan 8.230 nan 0.000 0.468 357 E N 0.716 120.836 120.200 -0.134 0.000 2.435 357 E HA 0.011 4.353 4.350 -0.012 0.000 0.195 357 E C 0.089 176.644 176.600 -0.075 0.000 1.029 357 E CA -0.016 56.314 56.400 -0.117 0.000 0.865 357 E CB 0.219 29.730 29.700 -0.316 0.000 0.833 357 E HN 0.257 nan 8.360 nan 0.000 0.510 358 R N 0.048 120.499 120.500 -0.081 0.000 3.423 358 R HA -0.191 4.142 4.340 -0.012 0.000 0.271 358 R C -0.461 175.819 176.300 -0.033 0.000 1.093 358 R CA 0.243 56.320 56.100 -0.038 0.000 0.730 358 R CB -2.488 27.810 30.300 -0.004 0.000 1.190 358 R HN 0.048 nan 8.270 nan 0.000 0.437 359 L N 1.746 122.921 121.223 -0.080 0.000 2.421 359 L HA 0.187 4.519 4.340 -0.012 0.000 0.263 359 L C 1.285 178.144 176.870 -0.018 0.000 1.122 359 L CA 0.071 54.876 54.840 -0.057 0.000 0.804 359 L CB 0.509 42.487 42.059 -0.134 0.000 1.150 359 L HN 0.139 nan 8.230 nan 0.000 0.457 360 D N 0.464 120.879 120.400 0.025 0.000 2.362 360 D HA -0.132 4.501 4.640 -0.012 0.000 0.242 360 D C 0.953 177.316 176.300 0.104 0.000 1.132 360 D CA -0.501 53.548 54.000 0.082 0.000 0.907 360 D CB 0.714 41.569 40.800 0.092 0.000 1.195 360 D HN 0.604 nan 8.370 nan 0.000 0.429 361 W N 2.162 123.465 121.300 0.004 0.000 2.301 361 W HA -0.247 4.406 4.660 -0.012 0.000 0.325 361 W C 1.200 177.762 176.519 0.072 0.000 1.250 361 W CA 2.002 59.356 57.345 0.015 0.000 1.261 361 W CB -0.317 29.132 29.460 -0.018 0.000 1.157 361 W HN 0.500 nan 8.180 nan 0.000 0.473 362 D N 0.082 120.684 120.400 0.337 0.000 2.149 362 D HA -0.206 4.427 4.640 -0.012 0.000 0.198 362 D C 2.051 178.449 176.300 0.163 0.000 0.990 362 D CA 1.350 55.518 54.000 0.280 0.000 0.839 362 D CB -0.384 40.556 40.800 0.234 0.000 0.948 362 D HN 0.128 nan 8.370 nan 0.000 0.460 363 K N 0.925 121.379 120.400 0.090 0.000 2.062 363 K HA -0.005 4.307 4.320 -0.012 0.000 0.205 363 K C 2.000 178.587 176.600 -0.023 0.000 1.051 363 K CA 0.777 57.090 56.287 0.044 0.000 0.941 363 K CB -0.164 32.359 32.500 0.037 0.000 0.719 363 K HN 0.016 nan 8.250 nan 0.000 0.440 364 A N 0.822 123.584 122.820 -0.096 0.000 1.902 364 A HA -0.188 4.124 4.320 -0.012 0.000 0.217 364 A C 2.107 179.588 177.584 -0.170 0.000 1.181 364 A CA 1.236 53.145 52.037 -0.214 0.000 0.623 364 A CB -1.048 17.749 19.000 -0.339 0.000 0.818 364 A HN 0.636 nan 8.150 nan 0.000 0.443 365 W N 0.686 121.767 121.300 -0.366 0.000 2.358 365 W HA -0.167 4.486 4.660 -0.012 0.000 0.303 365 W C 1.985 178.442 176.519 -0.103 0.000 1.208 365 W CA 1.813 59.000 57.345 -0.263 0.000 1.274 365 W CB -0.085 29.270 29.460 -0.174 0.000 1.138 365 W HN 0.598 nan 8.180 nan 0.000 0.515 366 E N 0.077 120.264 120.200 -0.021 0.000 2.058 366 E HA -0.232 4.110 4.350 -0.012 0.000 0.194 366 E C 2.042 178.560 176.600 -0.138 0.000 0.997 366 E CA 2.009 58.362 56.400 -0.078 0.000 0.801 366 E CB -0.314 29.397 29.700 0.019 0.000 0.746 366 E HN 0.068 nan 8.360 nan 0.000 0.450 367 V N 0.701 120.549 119.914 -0.109 0.000 2.295 367 V HA -0.267 3.846 4.120 -0.012 0.000 0.246 367 V C 2.427 178.451 176.094 -0.117 0.000 1.049 367 V CA 2.201 64.454 62.300 -0.078 0.000 1.024 367 V CB -0.856 30.913 31.823 -0.091 0.000 0.648 367 V HN 0.370 nan 8.190 nan 0.000 0.447 368 T N 0.190 114.604 114.554 -0.234 0.000 2.652 368 T HA -0.206 4.137 4.350 -0.012 0.000 0.267 368 T C 1.951 176.471 174.700 -0.300 0.000 1.039 368 T CA 1.915 63.853 62.100 -0.270 0.000 1.153 368 T CB -0.366 68.285 68.868 -0.361 0.000 0.863 368 T HN 0.269 nan 8.240 nan 0.000 0.428 369 V N 1.253 120.858 119.914 -0.514 0.000 2.332 369 V HA -0.193 3.919 4.120 -0.012 0.000 0.248 369 V C 2.414 178.456 176.094 -0.087 0.000 1.055 369 V CA 1.692 63.750 62.300 -0.402 0.000 1.038 369 V CB -0.504 30.993 31.823 -0.542 0.000 0.651 369 V HN 0.436 nan 8.190 nan 0.000 0.450 370 K N -0.299 120.034 120.400 -0.111 0.000 2.283 370 K HA -0.127 4.186 4.320 -0.012 0.000 0.202 370 K C 2.168 178.746 176.600 -0.036 0.000 1.048 370 K CA 1.616 57.830 56.287 -0.122 0.000 0.948 370 K CB -0.181 32.245 32.500 -0.125 0.000 0.742 370 K HN 0.657 nan 8.250 nan 0.000 0.458 371 T N -1.974 112.616 114.554 0.060 0.000 3.037 371 T HA 0.090 4.432 4.350 -0.012 0.000 0.251 371 T C 0.590 175.400 174.700 0.183 0.000 1.079 371 T CA -0.296 61.872 62.100 0.115 0.000 1.067 371 T CB -0.013 68.931 68.868 0.127 0.000 0.948 371 T HN 0.012 nan 8.240 nan 0.000 0.496 372 C N 2.503 121.896 119.300 0.156 0.000 2.365 372 C HA 0.928 5.381 4.460 -0.012 0.000 0.351 372 C C 0.542 175.574 174.990 0.070 0.000 1.240 372 C CA -0.793 58.288 59.018 0.105 0.000 2.062 372 C CB 0.328 28.070 27.740 0.004 0.000 2.387 372 C HN 0.744 nan 8.230 nan 0.000 0.537 373 A N 2.099 124.958 122.820 0.064 0.000 2.515 373 A HA 0.767 5.080 4.320 -0.012 0.000 0.298 373 A C -1.633 176.025 177.584 0.123 0.000 1.059 373 A CA -0.373 51.652 52.037 -0.020 0.000 0.698 373 A CB 1.144 20.153 19.000 0.016 0.000 1.289 373 A HN 0.924 nan 8.150 nan 0.000 0.404 374 Y N 0.884 121.137 120.300 -0.078 0.000 2.425 374 Y HA 0.701 5.243 4.550 -0.012 0.000 0.344 374 Y C -0.591 175.304 175.900 -0.009 0.000 0.969 374 Y CA -0.583 57.491 58.100 -0.045 0.000 1.052 374 Y CB 2.124 40.517 38.460 -0.113 0.000 1.215 374 Y HN 0.542 nan 8.280 nan 0.000 0.451 375 T N 6.865 121.214 114.554 -0.342 0.000 2.770 375 T HA 0.229 4.572 4.350 -0.012 0.000 0.283 375 T C -0.707 173.550 174.700 -0.739 0.000 0.988 375 T CA -0.786 61.050 62.100 -0.441 0.000 0.957 375 T CB 0.214 69.065 68.868 -0.029 0.000 0.930 375 T HN 0.672 nan 8.240 nan 0.000 0.443 376 N N 1.891 120.143 118.700 -0.747 0.000 2.479 376 N HA 0.111 4.844 4.740 -0.012 0.000 0.285 376 N C 0.190 175.595 175.510 -0.175 0.000 1.075 376 N CA -0.254 52.603 53.050 -0.322 0.000 0.967 376 N CB 0.743 39.215 38.487 -0.025 0.000 1.137 376 N HN 0.653 nan 8.380 nan 0.000 0.472 377 H N 1.054 120.160 119.070 0.061 0.000 2.827 377 H HA 0.154 4.703 4.556 -0.013 0.000 0.269 377 H C -0.095 175.151 175.328 -0.136 0.000 1.031 377 H CA 0.166 56.198 56.048 -0.028 0.000 1.202 377 H CB 1.158 30.914 29.762 -0.010 0.000 1.511 377 H HN 0.546 nan 8.280 nan 0.000 0.517 378 T N -0.116 114.466 114.554 0.047 0.000 2.827 378 T HA 0.216 4.558 4.350 -0.012 0.000 0.328 378 T C 0.377 175.109 174.700 0.053 0.000 1.598 378 T CA -0.283 61.794 62.100 -0.040 0.000 1.043 378 T CB 1.101 69.939 68.868 -0.051 0.000 1.447 378 T HN -0.071 nan 8.240 nan 0.000 0.491 379 V N 1.549 121.456 119.914 -0.011 0.000 3.605 379 V HA 0.493 4.605 4.120 -0.012 0.000 0.284 379 V C 1.077 177.135 176.094 -0.059 0.000 1.386 379 V CA -0.009 62.272 62.300 -0.032 0.000 1.053 379 V CB -0.712 31.089 31.823 -0.036 0.000 0.857 379 V HN 0.799 nan 8.190 nan 0.000 0.436 380 I N -0.122 120.399 120.570 -0.081 0.000 2.618 380 I HA 0.266 4.429 4.170 -0.012 0.000 0.284 380 I C -0.735 175.379 176.117 -0.005 0.000 1.146 380 I CA -1.531 59.739 61.300 -0.050 0.000 1.425 380 I CB 0.481 38.424 38.000 -0.095 0.000 1.383 380 I HN -0.013 nan 8.210 nan 0.000 0.562 381 P HA -0.227 nan 4.420 nan 0.000 0.216 381 P C 0.986 178.306 177.300 0.033 0.000 1.150 381 P CA 1.557 64.665 63.100 0.014 0.000 0.843 381 P CB -0.098 31.613 31.700 0.019 0.000 0.787 382 E N -0.073 120.182 120.200 0.092 0.000 2.516 382 E HA 0.009 4.351 4.350 -0.012 0.000 0.199 382 E C 1.533 178.187 176.600 0.091 0.000 1.069 382 E CA 0.831 57.312 56.400 0.135 0.000 0.876 382 E CB -0.709 29.188 29.700 0.328 0.000 0.843 382 E HN 0.257 nan 8.360 nan 0.000 0.530 383 A N 0.865 123.731 122.820 0.077 0.000 2.197 383 A HA 0.185 4.497 4.320 -0.012 0.000 0.210 383 A C 1.078 178.660 177.584 -0.003 0.000 1.180 383 A CA -0.346 51.740 52.037 0.081 0.000 0.846 383 A CB 0.208 19.265 19.000 0.096 0.000 0.884 383 A HN 0.126 nan 8.150 nan 0.000 0.487 384 L N 2.055 123.237 121.223 -0.069 0.000 2.462 384 L HA 0.093 4.426 4.340 -0.012 0.000 0.272 384 L C -0.087 176.464 176.870 -0.531 0.000 1.166 384 L CA 0.629 55.358 54.840 -0.184 0.000 0.880 384 L CB 0.111 42.091 42.059 -0.130 0.000 1.142 384 L HN 0.409 nan 8.230 nan 0.000 0.473 385 E N 5.357 125.146 120.200 -0.685 0.000 2.070 385 E HA 0.167 4.510 4.350 -0.012 0.000 0.282 385 E C -0.390 175.564 176.600 -1.076 0.000 1.104 385 E CA -0.186 55.362 56.400 -1.421 0.000 0.876 385 E CB 0.610 29.833 29.700 -0.796 0.000 1.055 385 E HN 0.363 nan 8.360 nan 0.000 0.401 386 R N 3.750 123.496 120.500 -1.257 0.000 2.352 386 R HA 0.196 4.529 4.340 -0.012 0.000 0.304 386 R C -1.121 174.986 176.300 -0.322 0.000 1.104 386 R CA -0.561 55.234 56.100 -0.508 0.000 0.991 386 R CB 0.808 30.952 30.300 -0.259 0.000 1.140 386 R HN 0.416 nan 8.270 nan 0.000 0.540 387 W N 4.580 125.819 121.300 -0.101 0.000 2.311 387 W HA 0.251 4.903 4.660 -0.012 0.000 0.310 387 W C -1.894 174.599 176.519 -0.043 0.000 1.274 387 W CA -2.124 55.229 57.345 0.013 0.000 1.215 387 W CB 0.721 30.164 29.460 -0.029 0.000 1.227 387 W HN 0.260 nan 8.180 nan 0.000 0.523 388 P HA -0.076 nan 4.420 nan 0.000 0.268 388 P C 0.762 178.000 177.300 -0.102 0.000 1.204 388 P CA 0.156 63.244 63.100 -0.020 0.000 0.768 388 P CB 0.807 32.370 31.700 -0.228 0.000 0.842 389 V N 3.188 123.096 119.914 -0.011 0.000 2.392 389 V HA -0.281 3.831 4.120 -0.012 0.000 0.249 389 V C 2.114 178.208 176.094 -0.000 0.000 1.059 389 V CA 2.507 64.816 62.300 0.016 0.000 1.051 389 V CB -1.749 30.149 31.823 0.126 0.000 0.658 389 V HN 0.759 nan 8.190 nan 0.000 0.455 390 H N -1.174 117.950 119.070 0.091 0.000 2.456 390 H HA -0.083 4.466 4.556 -0.012 0.000 0.296 390 H C 2.021 177.392 175.328 0.071 0.000 1.079 390 H CA 1.596 57.692 56.048 0.080 0.000 1.322 390 H CB -0.470 29.340 29.762 0.081 0.000 1.388 390 H HN 0.371 nan 8.280 nan 0.000 0.538 391 L N -0.116 120.930 121.223 -0.296 0.000 2.068 391 L HA -0.035 4.297 4.340 -0.012 0.000 0.204 391 L C 2.272 179.079 176.870 -0.105 0.000 1.076 391 L CA 0.800 55.567 54.840 -0.122 0.000 0.753 391 L CB -0.155 41.822 42.059 -0.137 0.000 0.910 391 L HN 0.324 nan 8.230 nan 0.000 0.439 392 L N -0.579 120.559 121.223 -0.143 0.000 2.141 392 L HA -0.225 4.107 4.340 -0.012 0.000 0.209 392 L C 2.465 179.257 176.870 -0.129 0.000 1.094 392 L CA 1.052 55.781 54.840 -0.185 0.000 0.763 392 L CB -0.358 41.585 42.059 -0.194 0.000 0.908 392 L HN 0.333 nan 8.230 nan 0.000 0.437 393 E N -0.463 119.705 120.200 -0.053 0.000 2.077 393 E HA -0.209 4.133 4.350 -0.012 0.000 0.193 393 E C 1.900 178.525 176.600 0.042 0.000 0.989 393 E CA 1.831 58.234 56.400 0.005 0.000 0.800 393 E CB 0.166 29.910 29.700 0.074 0.000 0.746 393 E HN 0.406 nan 8.360 nan 0.000 0.452 394 T N 0.686 115.285 114.554 0.075 0.000 2.852 394 T HA -0.063 4.279 4.350 -0.012 0.000 0.256 394 T C 1.696 176.486 174.700 0.149 0.000 1.038 394 T CA 0.577 62.770 62.100 0.155 0.000 1.141 394 T CB -0.093 68.900 68.868 0.208 0.000 0.869 394 T HN 0.055 nan 8.240 nan 0.000 0.439 395 L N 0.172 121.383 121.223 -0.021 0.000 2.095 395 L HA 0.330 4.662 4.340 -0.012 0.000 0.204 395 L C 0.364 177.145 176.870 -0.149 0.000 1.080 395 L CA 1.620 56.325 54.840 -0.226 0.000 0.759 395 L CB -0.007 41.885 42.059 -0.278 0.000 0.914 395 L HN 0.172 nan 8.230 nan 0.000 0.439 396 L N 0.671 121.770 121.223 -0.207 0.000 2.594 396 L HA 0.293 4.626 4.340 -0.012 0.000 0.245 396 L C -1.649 175.028 176.870 -0.320 0.000 1.460 396 L CA -1.054 53.580 54.840 -0.344 0.000 0.865 396 L CB 0.872 42.565 42.059 -0.611 0.000 1.131 396 L HN -0.057 nan 8.230 nan 0.000 0.506 397 P HA -0.228 nan 4.420 nan 0.000 0.216 397 P C 1.495 178.590 177.300 -0.340 0.000 1.153 397 P CA 1.322 64.292 63.100 -0.217 0.000 0.858 397 P CB 0.350 32.000 31.700 -0.084 0.000 0.789 398 R N -0.576 119.536 120.500 -0.647 0.000 2.090 398 R HA -0.133 4.200 4.340 -0.012 0.000 0.228 398 R C 2.338 178.325 176.300 -0.523 0.000 1.110 398 R CA 1.460 57.192 56.100 -0.613 0.000 0.973 398 R CB -1.256 28.516 30.300 -0.880 0.000 0.869 398 R HN 0.224 nan 8.270 nan 0.000 0.440 399 H N -0.275 118.473 119.070 -0.536 0.000 2.389 399 H HA -0.045 4.503 4.556 -0.012 0.000 0.299 399 H C 1.759 176.904 175.328 -0.306 0.000 1.081 399 H CA 1.599 57.418 56.048 -0.382 0.000 1.345 399 H CB -0.045 29.457 29.762 -0.434 0.000 1.393 399 H HN 0.100 nan 8.280 nan 0.000 0.520 400 L N 0.466 121.552 121.223 -0.228 0.000 2.046 400 L HA -0.238 4.094 4.340 -0.012 0.000 0.208 400 L C 1.844 178.502 176.870 -0.353 0.000 1.077 400 L CA 1.612 56.245 54.840 -0.345 0.000 0.747 400 L CB -0.291 41.583 42.059 -0.308 0.000 0.896 400 L HN 0.438 nan 8.230 nan 0.000 0.432 401 Q N -0.344 119.358 119.800 -0.163 0.000 2.084 401 Q HA -0.227 4.106 4.340 -0.012 0.000 0.202 401 Q C 2.177 178.181 176.000 0.006 0.000 0.978 401 Q CA 1.592 57.391 55.803 -0.008 0.000 0.844 401 Q CB -0.058 28.684 28.738 0.007 0.000 0.898 401 Q HN 0.544 nan 8.270 nan 0.000 0.426 402 I N 0.321 120.873 120.570 -0.030 0.000 2.315 402 I HA -0.266 3.897 4.170 -0.012 0.000 0.248 402 I C 2.084 178.263 176.117 0.103 0.000 1.117 402 I CA 0.997 62.362 61.300 0.108 0.000 1.404 402 I CB -0.091 37.924 38.000 0.024 0.000 1.071 402 I HN 0.200 nan 8.210 nan 0.000 0.419 403 I N -0.585 119.968 120.570 -0.029 0.000 2.315 403 I HA -0.306 3.857 4.170 -0.012 0.000 0.248 403 I C 2.325 178.456 176.117 0.024 0.000 1.117 403 I CA 1.313 62.590 61.300 -0.039 0.000 1.404 403 I CB -0.331 37.578 38.000 -0.151 0.000 1.071 403 I HN 0.165 nan 8.210 nan 0.000 0.419 404 Y N 0.850 121.149 120.300 -0.002 0.000 2.200 404 Y HA -0.254 4.289 4.550 -0.012 0.000 0.290 404 Y C 2.592 178.453 175.900 -0.066 0.000 1.137 404 Y CA 1.477 59.563 58.100 -0.022 0.000 1.163 404 Y CB -0.740 37.700 38.460 -0.033 0.000 0.988 404 Y HN 0.208 nan 8.280 nan 0.000 0.518 405 E N 0.399 120.630 120.200 0.052 0.000 2.106 405 E HA -0.135 4.207 4.350 -0.012 0.000 0.192 405 E C 2.014 178.510 176.600 -0.174 0.000 0.984 405 E CA 1.255 57.544 56.400 -0.186 0.000 0.806 405 E CB -0.556 28.874 29.700 -0.450 0.000 0.750 405 E HN 0.478 nan 8.360 nan 0.000 0.458 406 I N 0.617 121.184 120.570 -0.006 0.000 2.202 406 I HA -0.251 3.911 4.170 -0.012 0.000 0.242 406 I C 2.279 178.392 176.117 -0.006 0.000 1.091 406 I CA 1.280 62.537 61.300 -0.071 0.000 1.368 406 I CB -0.381 37.584 38.000 -0.060 0.000 1.058 406 I HN 0.213 nan 8.210 nan 0.000 0.410 407 N N 0.797 119.546 118.700 0.083 0.000 2.069 407 N HA -0.270 4.463 4.740 -0.012 0.000 0.191 407 N C 1.868 177.464 175.510 0.143 0.000 1.031 407 N CA 1.679 54.835 53.050 0.176 0.000 0.852 407 N CB -0.143 38.466 38.487 0.203 0.000 1.018 407 N HN 0.262 nan 8.380 nan 0.000 0.423 408 Q N -0.183 119.644 119.800 0.045 0.000 2.045 408 Q HA -0.152 4.181 4.340 -0.012 0.000 0.206 408 Q C 2.091 178.071 176.000 -0.034 0.000 0.991 408 Q CA 1.795 57.585 55.803 -0.021 0.000 0.851 408 Q CB -0.022 28.658 28.738 -0.095 0.000 0.911 408 Q HN 0.412 nan 8.270 nan 0.000 0.418 409 R N -0.840 119.617 120.500 -0.072 0.000 2.115 409 R HA -0.127 4.206 4.340 -0.012 0.000 0.230 409 R C 2.160 178.488 176.300 0.046 0.000 1.111 409 R CA 1.130 57.189 56.100 -0.068 0.000 0.976 409 R CB -0.360 29.843 30.300 -0.161 0.000 0.870 409 R HN 0.275 nan 8.270 nan 0.000 0.445 410 F N 1.714 121.639 119.950 -0.042 0.000 2.113 410 F HA -0.079 4.440 4.527 -0.012 0.000 0.297 410 F C 1.928 177.753 175.800 0.043 0.000 1.103 410 F CA 1.239 59.264 58.000 0.041 0.000 1.248 410 F CB -0.323 38.733 39.000 0.094 0.000 0.999 410 F HN -0.141 nan 8.300 nan 0.000 0.475 411 L N 0.175 121.372 121.223 -0.043 0.000 2.131 411 L HA -0.266 4.067 4.340 -0.012 0.000 0.210 411 L C 2.013 178.797 176.870 -0.144 0.000 1.092 411 L CA 1.712 56.462 54.840 -0.149 0.000 0.759 411 L CB -0.904 41.149 42.059 -0.011 0.000 0.903 411 L HN 0.279 nan 8.230 nan 0.000 0.435 412 N N -0.414 118.231 118.700 -0.092 0.000 2.244 412 N HA -0.171 4.561 4.740 -0.012 0.000 0.183 412 N C 1.942 177.396 175.510 -0.094 0.000 1.016 412 N CA 0.632 53.635 53.050 -0.078 0.000 0.866 412 N CB 0.028 38.479 38.487 -0.060 0.000 0.980 412 N HN 0.241 nan 8.380 nan 0.000 0.430 413 R N 0.489 120.916 120.500 -0.122 0.000 2.075 413 R HA -0.031 4.302 4.340 -0.012 0.000 0.232 413 R C 2.090 178.292 176.300 -0.164 0.000 1.126 413 R CA 0.774 56.803 56.100 -0.118 0.000 0.963 413 R CB -0.105 30.143 30.300 -0.087 0.000 0.858 413 R HN 0.042 nan 8.270 nan 0.000 0.435 414 V N 0.622 120.383 119.914 -0.256 0.000 2.295 414 V HA -0.233 3.880 4.120 -0.012 0.000 0.246 414 V C 2.353 178.441 176.094 -0.011 0.000 1.049 414 V CA 1.972 64.189 62.300 -0.138 0.000 1.024 414 V CB -0.734 30.933 31.823 -0.260 0.000 0.648 414 V HN 0.443 nan 8.190 nan 0.000 0.447 415 A N 0.099 122.885 122.820 -0.057 0.000 1.940 415 A HA -0.136 4.176 4.320 -0.012 0.000 0.219 415 A C 2.387 179.944 177.584 -0.045 0.000 1.176 415 A CA 2.153 54.174 52.037 -0.027 0.000 0.631 415 A CB -0.753 18.222 19.000 -0.042 0.000 0.814 415 A HN 0.591 nan 8.150 nan 0.000 0.446 416 A N -0.614 122.159 122.820 -0.079 0.000 2.015 416 A HA 0.270 4.583 4.320 -0.012 0.000 0.219 416 A C 2.359 179.845 177.584 -0.163 0.000 1.163 416 A CA 1.788 53.767 52.037 -0.096 0.000 0.646 416 A CB -0.647 18.303 19.000 -0.083 0.000 0.806 416 A HN 0.965 nan 8.150 nan 0.000 0.448 417 A N -1.478 121.192 122.820 -0.250 0.000 1.935 417 A HA 0.383 4.696 4.320 -0.012 0.000 0.214 417 A C 0.477 177.577 177.584 -0.807 0.000 1.178 417 A CA 0.506 52.205 52.037 -0.562 0.000 0.640 417 A CB -0.123 18.436 19.000 -0.733 0.000 0.825 417 A HN 0.426 nan 8.150 nan 0.000 0.447 418 F N 0.138 120.041 119.950 -0.078 0.000 2.523 418 F HA 0.350 4.870 4.527 -0.012 0.000 0.322 418 F C -2.746 173.016 175.800 -0.062 0.000 1.361 418 F CA -2.932 55.027 58.000 -0.069 0.000 1.151 418 F CB 0.609 39.560 39.000 -0.082 0.000 1.391 418 F HN -0.072 nan 8.300 nan 0.000 0.566 419 P HA 0.120 nan 4.420 nan 0.000 0.261 419 P C 1.052 178.370 177.300 0.031 0.000 1.183 419 P CA 1.257 64.367 63.100 0.016 0.000 0.761 419 P CB 0.694 32.386 31.700 -0.014 0.000 0.785 420 G N 2.803 111.615 108.800 0.019 0.000 2.234 420 G HA2 -0.255 3.698 3.960 -0.012 0.000 0.260 420 G HA3 -0.255 3.698 3.960 -0.012 0.000 0.260 420 G C 0.394 175.302 174.900 0.014 0.000 0.987 420 G CA 0.038 45.146 45.100 0.012 0.000 0.625 420 G HN 0.588 nan 8.290 nan 0.000 0.532 421 D N 1.032 121.450 120.400 0.031 0.000 2.545 421 D HA 0.373 5.005 4.640 -0.012 0.000 0.227 421 D C 1.621 177.911 176.300 -0.017 0.000 1.150 421 D CA 0.456 54.459 54.000 0.005 0.000 1.046 421 D CB 0.545 41.348 40.800 0.005 0.000 1.098 421 D HN 0.152 nan 8.370 nan 0.000 0.502 422 V N 2.747 122.652 119.914 -0.015 0.000 2.490 422 V HA -0.216 3.896 4.120 -0.012 0.000 0.250 422 V C 1.684 177.764 176.094 -0.023 0.000 1.061 422 V CA 1.976 64.266 62.300 -0.017 0.000 1.064 422 V CB 0.000 31.816 31.823 -0.011 0.000 0.670 422 V HN 0.371 nan 8.190 nan 0.000 0.461 423 D N -0.558 119.824 120.400 -0.030 0.000 2.183 423 D HA -0.169 4.464 4.640 -0.012 0.000 0.203 423 D C 2.327 178.598 176.300 -0.048 0.000 0.969 423 D CA 1.101 55.084 54.000 -0.029 0.000 0.842 423 D CB -0.186 40.597 40.800 -0.028 0.000 0.957 423 D HN 0.391 nan 8.370 nan 0.000 0.484 424 R N -0.391 120.056 120.500 -0.088 0.000 2.096 424 R HA -0.123 4.209 4.340 -0.012 0.000 0.235 424 R C 1.862 178.090 176.300 -0.120 0.000 1.127 424 R CA 0.792 56.802 56.100 -0.150 0.000 0.968 424 R CB -0.239 29.911 30.300 -0.249 0.000 0.861 424 R HN 0.162 nan 8.270 nan 0.000 0.440 425 L N 1.349 122.526 121.223 -0.076 0.000 1.989 425 L HA -0.199 4.134 4.340 -0.012 0.000 0.211 425 L C 2.546 179.414 176.870 -0.003 0.000 1.071 425 L CA 2.163 56.974 54.840 -0.049 0.000 0.749 425 L CB -0.807 41.234 42.059 -0.029 0.000 0.890 425 L HN 0.290 nan 8.230 nan 0.000 0.431 426 R N -1.141 119.365 120.500 0.011 0.000 2.115 426 R HA -0.079 4.253 4.340 -0.012 0.000 0.230 426 R C 2.178 178.529 176.300 0.085 0.000 1.111 426 R CA 1.089 57.219 56.100 0.049 0.000 0.976 426 R CB -0.623 29.700 30.300 0.039 0.000 0.870 426 R HN 0.188 nan 8.270 nan 0.000 0.445 427 R N 0.229 120.761 120.500 0.053 0.000 2.092 427 R HA 0.088 4.420 4.340 -0.012 0.000 0.231 427 R C 2.046 178.436 176.300 0.150 0.000 1.119 427 R CA 1.791 57.947 56.100 0.094 0.000 0.970 427 R CB -0.169 30.145 30.300 0.023 0.000 0.864 427 R HN 0.338 nan 8.270 nan 0.000 0.440 428 M N 0.074 119.684 119.600 0.017 0.000 2.541 428 M HA 0.032 4.504 4.480 -0.012 0.000 0.252 428 M C 0.899 177.381 176.300 0.303 0.000 1.125 428 M CA 0.015 55.284 55.300 -0.053 0.000 1.091 428 M CB 0.392 32.779 32.600 -0.356 0.000 1.420 428 M HN -0.080 nan 8.290 nan 0.000 0.486 429 S N 1.052 116.928 115.700 0.294 0.000 2.558 429 S HA 0.033 4.496 4.470 -0.012 0.000 0.287 429 S C 1.077 175.957 174.600 0.467 0.000 1.321 429 S CA -0.166 58.236 58.200 0.336 0.000 1.048 429 S CB 0.554 63.884 63.200 0.218 0.000 0.844 429 S HN 0.378 nan 8.310 nan 0.000 0.512 430 L N 3.817 125.262 121.223 0.370 0.000 2.418 430 L HA 0.164 4.496 4.340 -0.012 0.000 0.218 430 L C 0.120 177.103 176.870 0.189 0.000 1.125 430 L CA 0.146 55.157 54.840 0.285 0.000 0.835 430 L CB -0.315 41.855 42.059 0.185 0.000 0.953 430 L HN 0.375 nan 8.230 nan 0.000 0.454 431 V N 0.725 120.765 119.914 0.210 0.000 2.370 431 V HA 0.205 4.318 4.120 -0.012 0.000 0.279 431 V C -0.009 176.175 176.094 0.150 0.000 1.029 431 V CA -0.602 61.807 62.300 0.183 0.000 0.870 431 V CB 1.610 33.577 31.823 0.240 0.000 0.984 431 V HN 0.162 nan 8.190 nan 0.000 0.451 432 E N 3.118 123.386 120.200 0.113 0.000 2.156 432 E HA 0.416 4.759 4.350 -0.012 0.000 0.279 432 E C -0.679 175.973 176.600 0.086 0.000 0.965 432 E CA -0.560 55.895 56.400 0.093 0.000 0.789 432 E CB 1.938 31.674 29.700 0.060 0.000 1.098 432 E HN 0.602 nan 8.360 nan 0.000 0.397 433 E N 0.952 121.198 120.200 0.078 0.000 2.312 433 E HA 0.638 4.980 4.350 -0.012 0.000 0.259 433 E C 0.216 176.852 176.600 0.059 0.000 1.122 433 E CA 0.372 56.812 56.400 0.067 0.000 0.922 433 E CB 1.410 31.142 29.700 0.054 0.000 1.109 433 E HN 0.647 nan 8.360 nan 0.000 0.442 434 G N -0.310 108.523 108.800 0.054 0.000 2.260 434 G HA2 0.215 4.168 3.960 -0.012 0.000 0.250 434 G HA3 0.215 4.168 3.960 -0.012 0.000 0.250 434 G C 0.537 175.468 174.900 0.052 0.000 1.340 434 G CA 0.344 45.474 45.100 0.049 0.000 1.056 434 G HN 0.649 nan 8.290 nan 0.000 0.471 435 A N -0.822 122.028 122.820 0.049 0.000 1.873 435 A HA 0.257 4.570 4.320 -0.012 0.000 0.219 435 A C 1.827 179.450 177.584 0.066 0.000 1.269 435 A CA 4.582 56.650 52.037 0.051 0.000 0.671 435 A CB -1.235 17.795 19.000 0.050 0.000 0.842 435 A HN 2.437 nan 8.150 nan 0.000 0.460 436 V N -2.840 117.125 119.914 0.085 0.000 2.735 436 V HA 0.572 4.684 4.120 -0.012 0.000 0.310 436 V C -0.588 175.576 176.094 0.117 0.000 1.061 436 V CA -1.362 61.011 62.300 0.121 0.000 0.913 436 V CB 1.711 33.638 31.823 0.174 0.000 1.005 436 V HN 0.399 nan 8.190 nan 0.000 0.428 437 K N 4.080 124.558 120.400 0.130 0.000 2.382 437 K HA 0.502 4.815 4.320 -0.012 0.000 0.275 437 K C -0.424 176.246 176.600 0.118 0.000 1.009 437 K CA -0.215 56.145 56.287 0.122 0.000 0.970 437 K CB 0.909 33.495 32.500 0.142 0.000 0.934 437 K HN 0.738 nan 8.250 nan 0.000 0.479 438 R N 1.118 121.676 120.500 0.097 0.000 2.836 438 R HA 0.482 4.815 4.340 -0.012 0.000 0.269 438 R C -0.740 175.600 176.300 0.066 0.000 1.010 438 R CA -0.996 55.149 56.100 0.076 0.000 0.930 438 R CB 1.315 31.642 30.300 0.044 0.000 1.218 438 R HN 0.375 nan 8.270 nan 0.000 0.473 439 I N 1.851 122.454 120.570 0.055 0.000 2.354 439 I HA 0.181 4.344 4.170 -0.012 0.000 0.292 439 I C -0.280 175.821 176.117 -0.027 0.000 0.989 439 I CA -0.761 60.559 61.300 0.033 0.000 1.188 439 I CB 1.287 39.305 38.000 0.029 0.000 1.342 439 I HN 0.496 nan 8.210 nan 0.000 0.457 440 N N 7.047 125.703 118.700 -0.073 0.000 2.439 440 N HA 0.095 4.827 4.740 -0.012 0.000 0.243 440 N C 0.821 176.228 175.510 -0.171 0.000 1.088 440 N CA -0.350 52.576 53.050 -0.207 0.000 0.940 440 N CB 0.955 39.181 38.487 -0.436 0.000 1.180 440 N HN 0.367 nan 8.380 nan 0.000 0.505 441 M N 2.425 121.926 119.600 -0.164 0.000 2.279 441 M HA -0.070 4.403 4.480 -0.012 0.000 0.264 441 M C 1.930 178.088 176.300 -0.237 0.000 1.062 441 M CA 0.751 55.969 55.300 -0.137 0.000 1.099 441 M CB -1.580 30.976 32.600 -0.073 0.000 1.394 441 M HN 0.606 nan 8.290 nan 0.000 0.426 442 A N -0.599 122.077 122.820 -0.240 0.000 1.898 442 A HA -0.165 4.147 4.320 -0.012 0.000 0.216 442 A C 2.000 179.374 177.584 -0.350 0.000 1.181 442 A CA 1.435 53.302 52.037 -0.283 0.000 0.620 442 A CB -1.105 17.919 19.000 0.041 0.000 0.819 442 A HN 0.600 nan 8.150 nan 0.000 0.442 443 H N -1.048 117.818 119.070 -0.340 0.000 2.389 443 H HA -0.016 4.532 4.556 -0.012 0.000 0.299 443 H C 2.114 177.227 175.328 -0.358 0.000 1.081 443 H CA 0.880 56.680 56.048 -0.413 0.000 1.345 443 H CB -0.040 29.692 29.762 -0.049 0.000 1.393 443 H HN 0.374 nan 8.280 nan 0.000 0.520 444 L N 0.354 121.501 121.223 -0.127 0.000 2.012 444 L HA -0.238 4.094 4.340 -0.012 0.000 0.210 444 L C 2.259 179.002 176.870 -0.212 0.000 1.073 444 L CA 1.337 56.102 54.840 -0.126 0.000 0.748 444 L CB -0.392 41.614 42.059 -0.089 0.000 0.891 444 L HN 0.447 nan 8.230 nan 0.000 0.431 445 C N -0.014 119.063 119.300 -0.373 0.000 2.429 445 C HA -0.177 4.275 4.460 -0.012 0.000 0.277 445 C C 2.657 177.412 174.990 -0.391 0.000 1.262 445 C CA 0.637 59.359 59.018 -0.494 0.000 1.733 445 C CB -0.770 26.299 27.740 -1.117 0.000 2.010 445 C HN 0.514 nan 8.230 nan 0.000 0.483 446 I N 1.316 121.612 120.570 -0.456 0.000 2.202 446 I HA -0.189 3.973 4.170 -0.012 0.000 0.242 446 I C 2.742 178.711 176.117 -0.247 0.000 1.091 446 I CA 1.624 62.692 61.300 -0.387 0.000 1.368 446 I CB -0.527 37.101 38.000 -0.620 0.000 1.058 446 I HN 0.263 nan 8.210 nan 0.000 0.410 447 A N 0.485 123.135 122.820 -0.284 0.000 1.933 447 A HA -0.098 4.214 4.320 -0.012 0.000 0.218 447 A C 2.186 179.806 177.584 0.061 0.000 1.175 447 A CA 1.867 53.777 52.037 -0.211 0.000 0.628 447 A CB -1.144 17.550 19.000 -0.509 0.000 0.814 447 A HN 0.478 nan 8.150 nan 0.000 0.444 448 G N -1.081 107.707 108.800 -0.021 0.000 3.371 448 G HA2 0.428 4.380 3.960 -0.012 0.000 0.248 448 G HA3 0.428 4.380 3.960 -0.012 0.000 0.248 448 G C 0.028 174.773 174.900 -0.257 0.000 1.161 448 G CA 0.452 45.420 45.100 -0.219 0.000 0.796 448 G HN 0.336 nan 8.290 nan 0.000 0.539 449 S N -0.395 115.206 115.700 -0.166 0.000 2.542 449 S HA 0.326 4.788 4.470 -0.012 0.000 0.293 449 S C 0.634 175.183 174.600 -0.085 0.000 1.089 449 S CA -0.728 57.399 58.200 -0.122 0.000 0.961 449 S CB 1.277 64.413 63.200 -0.106 0.000 1.062 449 S HN 0.505 nan 8.310 nan 0.000 0.483 450 H N -0.194 118.840 119.070 -0.061 0.000 2.548 450 H HA 0.542 5.090 4.556 -0.012 0.000 0.265 450 H C 0.053 175.371 175.328 -0.017 0.000 0.969 450 H CA 0.159 56.197 56.048 -0.017 0.000 1.155 450 H CB 0.159 29.924 29.762 0.004 0.000 1.394 450 H HN 0.518 nan 8.280 nan 0.000 0.570 451 A N 0.889 123.436 122.820 -0.455 0.000 2.517 451 A HA 0.550 4.862 4.320 -0.012 0.000 0.297 451 A C -1.503 175.893 177.584 -0.313 0.000 1.050 451 A CA -0.560 51.254 52.037 -0.371 0.000 0.694 451 A CB 2.139 20.881 19.000 -0.430 0.000 1.277 451 A HN 0.098 nan 8.150 nan 0.000 0.400 452 V N 4.157 123.856 119.914 -0.358 0.000 2.577 452 V HA 0.541 4.654 4.120 -0.012 0.000 0.303 452 V C -0.785 175.139 176.094 -0.283 0.000 1.042 452 V CA -0.767 61.319 62.300 -0.358 0.000 0.872 452 V CB 1.852 33.332 31.823 -0.572 0.000 0.998 452 V HN 1.025 nan 8.190 nan 0.000 0.423 453 N N 3.054 121.600 118.700 -0.258 0.000 2.265 453 N HA 0.623 5.356 4.740 -0.012 0.000 0.300 453 N C -0.264 175.154 175.510 -0.153 0.000 1.148 453 N CA -0.376 52.566 53.050 -0.181 0.000 0.772 453 N CB 2.910 41.266 38.487 -0.218 0.000 1.434 453 N HN 0.642 nan 8.380 nan 0.000 0.481 454 G N -0.791 107.953 108.800 -0.094 0.000 2.522 454 G HA2 0.417 4.369 3.960 -0.012 0.000 0.304 454 G HA3 0.417 4.369 3.960 -0.012 0.000 0.304 454 G C 0.794 175.762 174.900 0.114 0.000 1.210 454 G CA -0.547 44.541 45.100 -0.020 0.000 0.960 454 G HN 0.597 nan 8.290 nan 0.000 0.497 455 V N -3.425 116.684 119.914 0.324 0.000 3.483 455 V HA 0.680 4.793 4.120 -0.012 0.000 0.301 455 V C 0.614 176.789 176.094 0.135 0.000 1.389 455 V CA 0.356 62.742 62.300 0.143 0.000 1.101 455 V CB -0.883 30.960 31.823 0.033 0.000 0.971 455 V HN 1.303 nan 8.190 nan 0.000 0.434 456 A N -0.159 122.753 122.820 0.155 0.000 2.605 456 A HA 0.623 4.935 4.320 -0.012 0.000 0.294 456 A C 0.701 178.334 177.584 0.082 0.000 1.062 456 A CA -0.144 51.959 52.037 0.110 0.000 0.682 456 A CB 1.177 20.232 19.000 0.091 0.000 1.278 456 A HN 0.009 nan 8.150 nan 0.000 0.410 457 R N 0.868 121.396 120.500 0.047 0.000 2.096 457 R HA -0.174 4.159 4.340 -0.012 0.000 0.240 457 R C 1.719 178.016 176.300 -0.005 0.000 1.139 457 R CA 2.326 58.431 56.100 0.008 0.000 0.952 457 R CB -0.239 30.062 30.300 0.000 0.000 0.854 457 R HN 0.837 nan 8.270 nan 0.000 0.436 458 I N 0.203 120.779 120.570 0.010 0.000 2.286 458 I HA -0.300 3.863 4.170 -0.012 0.000 0.248 458 I C 2.351 178.476 176.117 0.012 0.000 1.115 458 I CA 1.966 63.264 61.300 -0.003 0.000 1.392 458 I CB -0.261 37.736 38.000 -0.004 0.000 1.065 458 I HN 0.349 nan 8.210 nan 0.000 0.418 459 H N 0.301 119.343 119.070 -0.047 0.000 2.357 459 H HA -0.117 4.431 4.556 -0.013 0.000 0.301 459 H C 2.247 177.542 175.328 -0.055 0.000 1.082 459 H CA 2.179 58.196 56.048 -0.052 0.000 1.342 459 H CB -0.280 29.457 29.762 -0.041 0.000 1.389 459 H HN 0.240 nan 8.280 nan 0.000 0.511 460 S N 0.133 115.706 115.700 -0.212 0.000 2.399 460 S HA -0.117 4.345 4.470 -0.012 0.000 0.231 460 S C 1.890 176.359 174.600 -0.217 0.000 1.022 460 S CA 1.166 59.218 58.200 -0.248 0.000 0.983 460 S CB -0.072 63.059 63.200 -0.115 0.000 0.803 460 S HN 0.470 nan 8.310 nan 0.000 0.480 461 E N 1.133 121.232 120.200 -0.168 0.000 2.072 461 E HA 0.021 4.364 4.350 -0.012 0.000 0.190 461 E C 2.014 178.497 176.600 -0.195 0.000 0.982 461 E CA 0.607 56.901 56.400 -0.177 0.000 0.803 461 E CB -0.393 29.236 29.700 -0.119 0.000 0.755 461 E HN 0.487 nan 8.360 nan 0.000 0.453 462 I N 0.986 121.457 120.570 -0.165 0.000 2.208 462 I HA -0.292 3.871 4.170 -0.012 0.000 0.245 462 I C 2.387 178.379 176.117 -0.208 0.000 1.097 462 I CA 0.833 62.041 61.300 -0.153 0.000 1.363 462 I CB -0.204 37.738 38.000 -0.097 0.000 1.051 462 I HN 0.069 nan 8.210 nan 0.000 0.413 463 L N 0.248 121.310 121.223 -0.268 0.000 2.042 463 L HA -0.260 4.073 4.340 -0.012 0.000 0.210 463 L C 2.507 179.244 176.870 -0.223 0.000 1.076 463 L CA 1.630 56.320 54.840 -0.250 0.000 0.749 463 L CB -0.586 41.389 42.059 -0.141 0.000 0.893 463 L HN 0.220 nan 8.230 nan 0.000 0.432 464 K N -0.161 120.034 120.400 -0.342 0.000 2.155 464 K HA -0.122 4.190 4.320 -0.012 0.000 0.203 464 K C 2.087 178.488 176.600 -0.332 0.000 1.052 464 K CA 0.972 56.922 56.287 -0.561 0.000 0.948 464 K CB 0.062 31.992 32.500 -0.950 0.000 0.728 464 K HN 0.257 nan 8.250 nan 0.000 0.448 465 K N -0.049 120.210 120.400 -0.235 0.000 2.262 465 K HA -0.039 4.274 4.320 -0.012 0.000 0.200 465 K C 1.903 178.444 176.600 -0.097 0.000 1.049 465 K CA 1.412 57.616 56.287 -0.137 0.000 0.979 465 K CB 0.388 32.817 32.500 -0.118 0.000 0.773 465 K HN 0.273 nan 8.250 nan 0.000 0.474 466 T N -1.385 113.098 114.554 -0.118 0.000 3.066 466 T HA 0.069 4.411 4.350 -0.012 0.000 0.176 466 T C 1.644 176.284 174.700 -0.101 0.000 0.826 466 T CA -0.348 61.694 62.100 -0.097 0.000 1.280 466 T CB -0.722 68.083 68.868 -0.105 0.000 2.214 466 T HN -0.092 nan 8.240 nan 0.000 0.399 467 I N 1.073 121.519 120.570 -0.206 0.000 2.147 467 I HA -0.144 4.019 4.170 -0.012 0.000 0.245 467 I C 0.799 176.810 176.117 -0.176 0.000 1.059 467 I CA 1.831 62.931 61.300 -0.333 0.000 1.320 467 I CB -0.289 37.274 38.000 -0.728 0.000 1.021 467 I HN 0.445 nan 8.210 nan 0.000 0.415 468 F N 0.275 120.286 119.950 0.101 0.000 2.850 468 F HA 0.283 4.803 4.527 -0.013 0.000 0.306 468 F C 1.637 177.508 175.800 0.118 0.000 1.162 468 F CA -0.620 57.509 58.000 0.216 0.000 1.327 468 F CB -0.895 38.235 39.000 0.217 0.000 0.953 468 F HN -0.054 nan 8.300 nan 0.000 0.507 469 K N 0.711 121.215 120.400 0.174 0.000 2.032 469 K HA -0.188 4.125 4.320 -0.012 0.000 0.209 469 K C 1.256 177.907 176.600 0.086 0.000 1.048 469 K CA 2.018 58.354 56.287 0.082 0.000 0.927 469 K CB 0.044 32.558 32.500 0.023 0.000 0.712 469 K HN 0.148 nan 8.250 nan 0.000 0.441 470 D N -0.115 120.309 120.400 0.041 0.000 2.144 470 D HA -0.160 4.473 4.640 -0.012 0.000 0.199 470 D C 1.825 178.035 176.300 -0.150 0.000 0.984 470 D CA 1.197 55.095 54.000 -0.170 0.000 0.834 470 D CB -0.279 40.321 40.800 -0.335 0.000 0.955 470 D HN 0.225 nan 8.370 nan 0.000 0.465 471 F N -0.135 119.898 119.950 0.138 0.000 2.206 471 F HA -0.130 4.389 4.527 -0.012 0.000 0.298 471 F C 2.327 178.304 175.800 0.296 0.000 1.090 471 F CA 0.451 58.618 58.000 0.279 0.000 1.323 471 F CB -0.658 38.579 39.000 0.395 0.000 1.028 471 F HN -0.037 nan 8.300 nan 0.000 0.492 472 Y N 1.356 121.659 120.300 0.005 0.000 2.242 472 Y HA -0.175 4.368 4.550 -0.012 0.000 0.291 472 Y C 2.091 177.996 175.900 0.008 0.000 1.137 472 Y CA 1.549 59.470 58.100 -0.299 0.000 1.181 472 Y CB -0.621 37.450 38.460 -0.648 0.000 0.989 472 Y HN 0.137 nan 8.280 nan 0.000 0.527 473 E N -0.101 120.045 120.200 -0.090 0.000 2.106 473 E HA -0.188 4.155 4.350 -0.012 0.000 0.192 473 E C 2.264 178.920 176.600 0.093 0.000 0.984 473 E CA 0.996 57.350 56.400 -0.077 0.000 0.806 473 E CB -0.211 29.482 29.700 -0.012 0.000 0.750 473 E HN 0.444 nan 8.360 nan 0.000 0.458 474 L N 0.792 122.119 121.223 0.174 0.000 2.044 474 L HA -0.093 4.240 4.340 -0.012 0.000 0.205 474 L C 0.150 177.115 176.870 0.157 0.000 1.075 474 L CA 1.462 56.444 54.840 0.236 0.000 0.747 474 L CB 0.111 42.312 42.059 0.238 0.000 0.903 474 L HN 0.081 nan 8.230 nan 0.000 0.435 475 E N -0.159 120.126 120.200 0.143 0.000 2.923 475 E HA 0.166 4.509 4.350 -0.012 0.000 0.266 475 E C -2.004 174.535 176.600 -0.102 0.000 1.157 475 E CA -1.415 54.962 56.400 -0.038 0.000 0.795 475 E CB 1.008 30.643 29.700 -0.109 0.000 1.454 475 E HN 0.159 nan 8.360 nan 0.000 0.386 476 P HA -0.254 nan 4.420 nan 0.000 0.218 476 P C 1.211 178.621 177.300 0.184 0.000 1.148 476 P CA 1.410 64.449 63.100 -0.101 0.000 0.822 476 P CB -0.082 31.429 31.700 -0.316 0.000 0.784 477 H N 0.268 119.448 119.070 0.184 0.000 2.456 477 H HA 0.035 4.584 4.556 -0.012 0.000 0.296 477 H C 1.554 176.971 175.328 0.147 0.000 1.079 477 H CA 0.878 57.018 56.048 0.154 0.000 1.322 477 H CB -0.702 29.120 29.762 0.101 0.000 1.388 477 H HN 0.149 nan 8.280 nan 0.000 0.538 478 K N 0.347 120.629 120.400 -0.197 0.000 2.148 478 K HA 0.002 4.314 4.320 -0.012 0.000 0.204 478 K C -0.069 176.371 176.600 -0.266 0.000 1.050 478 K CA 0.374 56.528 56.287 -0.221 0.000 0.942 478 K CB 0.011 32.239 32.500 -0.454 0.000 0.724 478 K HN 0.089 nan 8.250 nan 0.000 0.446 479 F N 1.885 121.868 119.950 0.056 0.000 2.467 479 F HA 0.131 4.650 4.527 -0.013 0.000 0.362 479 F C 0.574 176.377 175.800 0.005 0.000 1.090 479 F CA 0.048 58.076 58.000 0.047 0.000 1.202 479 F CB 0.713 39.786 39.000 0.121 0.000 1.113 479 F HN -0.050 nan 8.300 nan 0.000 0.541 480 Q N 1.748 121.579 119.800 0.052 0.000 2.683 480 Q HA 0.407 4.740 4.340 -0.012 0.000 0.302 480 Q C -1.213 174.749 176.000 -0.065 0.000 1.042 480 Q CA -1.315 54.474 55.803 -0.024 0.000 0.773 480 Q CB 3.063 31.735 28.738 -0.110 0.000 1.508 480 Q HN 0.639 nan 8.270 nan 0.000 0.459 481 N N 0.382 119.022 118.700 -0.100 0.000 2.225 481 N HA 0.291 5.024 4.740 -0.012 0.000 0.298 481 N C -1.596 173.815 175.510 -0.165 0.000 1.076 481 N CA -0.422 52.566 53.050 -0.103 0.000 0.792 481 N CB 1.355 39.805 38.487 -0.062 0.000 1.498 481 N HN 0.292 nan 8.380 nan 0.000 0.474 482 K N 2.537 122.845 120.400 -0.155 0.000 2.764 482 K HA 0.188 4.501 4.320 -0.012 0.000 0.239 482 K C -1.058 175.548 176.600 0.011 0.000 1.048 482 K CA -0.466 55.700 56.287 -0.201 0.000 1.057 482 K CB 1.167 33.316 32.500 -0.584 0.000 1.251 482 K HN 0.559 nan 8.250 nan 0.000 0.524 483 T N 2.018 116.600 114.554 0.046 0.000 2.902 483 T HA 0.072 4.415 4.350 -0.012 0.000 0.301 483 T C 0.826 175.658 174.700 0.220 0.000 1.012 483 T CA 0.296 62.476 62.100 0.133 0.000 1.151 483 T CB 0.307 69.260 68.868 0.143 0.000 0.946 483 T HN 0.349 nan 8.240 nan 0.000 0.542 484 N N 0.577 119.424 118.700 0.246 0.000 2.267 484 N HA 0.407 5.140 4.740 -0.012 0.000 0.226 484 N C 0.495 176.191 175.510 0.311 0.000 1.314 484 N CA -0.129 53.099 53.050 0.297 0.000 0.887 484 N CB 0.362 38.962 38.487 0.187 0.000 1.120 484 N HN 0.772 nan 8.380 nan 0.000 0.440 485 G N -0.781 108.209 108.800 0.316 0.000 2.649 485 G HA2 0.577 4.530 3.960 -0.012 0.000 0.290 485 G HA3 0.577 4.530 3.960 -0.012 0.000 0.290 485 G C -1.446 173.588 174.900 0.224 0.000 1.426 485 G CA -0.755 44.519 45.100 0.290 0.000 0.794 485 G HN 0.596 nan 8.290 nan 0.000 0.483 486 I N -2.280 118.407 120.570 0.196 0.000 2.892 486 I HA 0.768 4.931 4.170 -0.012 0.000 0.306 486 I C -0.212 176.069 176.117 0.273 0.000 1.078 486 I CA -0.958 60.453 61.300 0.184 0.000 1.032 486 I CB 2.453 40.445 38.000 -0.015 0.000 1.229 486 I HN 0.502 nan 8.210 nan 0.000 0.435 487 T N 4.001 118.777 114.554 0.371 0.000 2.794 487 T HA 0.361 4.704 4.350 -0.012 0.000 0.296 487 T C -1.446 173.379 174.700 0.208 0.000 0.949 487 T CA -1.648 60.589 62.100 0.229 0.000 1.101 487 T CB 0.819 69.765 68.868 0.130 0.000 0.905 487 T HN 0.617 nan 8.240 nan 0.000 0.516 488 P HA 0.021 nan 4.420 nan 0.000 0.226 488 P C 1.159 178.434 177.300 -0.041 0.000 1.153 488 P CA 0.470 63.610 63.100 0.067 0.000 0.777 488 P CB 0.333 32.053 31.700 0.034 0.000 0.794 489 R N 0.290 120.715 120.500 -0.124 0.000 2.060 489 R HA 0.006 4.339 4.340 -0.012 0.000 0.225 489 R C 2.696 178.883 176.300 -0.188 0.000 1.155 489 R CA 1.561 57.545 56.100 -0.194 0.000 0.930 489 R CB -1.195 28.991 30.300 -0.190 0.000 0.829 489 R HN 0.046 nan 8.270 nan 0.000 0.433 490 R N -0.744 119.587 120.500 -0.281 0.000 2.075 490 R HA -0.112 4.220 4.340 -0.012 0.000 0.232 490 R C 1.121 177.090 176.300 -0.552 0.000 1.126 490 R CA 1.567 57.357 56.100 -0.516 0.000 0.963 490 R CB -0.197 29.610 30.300 -0.821 0.000 0.858 490 R HN 0.301 nan 8.270 nan 0.000 0.435 491 W N 0.038 121.296 121.300 -0.070 0.000 3.377 491 W HA 0.128 4.780 4.660 -0.013 0.000 0.277 491 W C 0.946 177.435 176.519 -0.050 0.000 1.311 491 W CA -0.658 56.645 57.345 -0.070 0.000 1.703 491 W CB 0.378 29.802 29.460 -0.060 0.000 1.095 491 W HN 0.248 nan 8.180 nan 0.000 0.715 492 L N -2.548 118.734 121.223 0.099 0.000 2.604 492 L HA 0.149 4.481 4.340 -0.012 0.000 0.150 492 L C 1.746 178.636 176.870 0.032 0.000 1.292 492 L CA 0.683 55.575 54.840 0.088 0.000 0.977 492 L CB -0.860 41.276 42.059 0.128 0.000 1.943 492 L HN -0.268 nan 8.230 nan 0.000 0.508 493 V N 1.234 121.146 119.914 -0.004 0.000 2.287 493 V HA -0.283 3.830 4.120 -0.012 0.000 0.248 493 V C 2.437 178.506 176.094 -0.041 0.000 1.053 493 V CA 2.551 64.837 62.300 -0.023 0.000 1.027 493 V CB -0.699 31.080 31.823 -0.074 0.000 0.646 493 V HN 0.507 nan 8.190 nan 0.000 0.447 494 L N 0.400 121.570 121.223 -0.087 0.000 2.023 494 L HA -0.180 4.152 4.340 -0.012 0.000 0.205 494 L C 2.534 179.345 176.870 -0.098 0.000 1.073 494 L CA 2.353 57.126 54.840 -0.113 0.000 0.745 494 L CB -0.279 41.663 42.059 -0.195 0.000 0.900 494 L HN 0.655 nan 8.230 nan 0.000 0.435 495 C N -1.860 117.378 119.300 -0.103 0.000 2.495 495 C HA 0.168 4.621 4.460 -0.012 0.000 0.275 495 C C 1.219 176.196 174.990 -0.021 0.000 1.392 495 C CA -0.290 58.687 59.018 -0.069 0.000 1.766 495 C CB -1.044 26.661 27.740 -0.059 0.000 1.933 495 C HN 0.565 nan 8.230 nan 0.000 0.519 496 N N 1.231 119.929 118.700 -0.003 0.000 2.733 496 N HA 0.287 5.020 4.740 -0.012 0.000 0.271 496 N C -1.751 173.772 175.510 0.021 0.000 1.720 496 N CA -1.632 51.426 53.050 0.014 0.000 0.803 496 N CB 0.818 39.321 38.487 0.027 0.000 1.208 496 N HN 0.257 nan 8.380 nan 0.000 0.498 497 P HA -0.050 nan 4.420 nan 0.000 0.217 497 P C 1.395 178.711 177.300 0.027 0.000 1.150 497 P CA 0.918 64.030 63.100 0.020 0.000 0.832 497 P CB 0.263 31.968 31.700 0.008 0.000 0.787 498 G N 0.644 109.455 108.800 0.018 0.000 2.440 498 G HA2 -0.250 3.703 3.960 -0.012 0.000 0.218 498 G HA3 -0.250 3.703 3.960 -0.012 0.000 0.218 498 G C 1.535 176.443 174.900 0.013 0.000 1.154 498 G CA 0.740 45.848 45.100 0.013 0.000 0.767 498 G HN 0.265 nan 8.290 nan 0.000 0.552 499 L N 1.136 122.368 121.223 0.015 0.000 2.109 499 L HA 0.310 4.642 4.340 -0.012 0.000 0.207 499 L C 3.024 179.922 176.870 0.047 0.000 1.086 499 L CA 1.943 56.789 54.840 0.010 0.000 0.760 499 L CB -0.630 41.435 42.059 0.009 0.000 0.910 499 L HN 0.214 nan 8.230 nan 0.000 0.437 500 A N -0.739 122.131 122.820 0.085 0.000 1.933 500 A HA -0.235 4.077 4.320 -0.012 0.000 0.218 500 A C 2.216 179.896 177.584 0.160 0.000 1.175 500 A CA 1.722 53.861 52.037 0.171 0.000 0.628 500 A CB -0.628 18.468 19.000 0.160 0.000 0.814 500 A HN 0.542 nan 8.150 nan 0.000 0.444 501 E N 0.820 121.075 120.200 0.093 0.000 2.028 501 E HA -0.171 4.171 4.350 -0.012 0.000 0.191 501 E C 1.876 178.519 176.600 0.070 0.000 0.988 501 E CA 1.679 58.124 56.400 0.075 0.000 0.799 501 E CB -0.523 29.203 29.700 0.044 0.000 0.755 501 E HN 0.729 nan 8.360 nan 0.000 0.447 502 I N -1.653 118.952 120.570 0.058 0.000 2.361 502 I HA -0.152 4.011 4.170 -0.012 0.000 0.251 502 I C 2.161 178.360 176.117 0.136 0.000 1.133 502 I CA 1.178 62.528 61.300 0.083 0.000 1.413 502 I CB -0.358 37.669 38.000 0.044 0.000 1.073 502 I HN 0.033 nan 8.210 nan 0.000 0.424 503 I N 1.947 122.573 120.570 0.093 0.000 2.233 503 I HA -0.175 3.987 4.170 -0.012 0.000 0.243 503 I C 3.018 179.101 176.117 -0.057 0.000 1.093 503 I CA 1.300 62.594 61.300 -0.010 0.000 1.380 503 I CB -0.432 37.444 38.000 -0.208 0.000 1.067 503 I HN 0.293 nan 8.210 nan 0.000 0.413 504 A N 0.246 123.120 122.820 0.089 0.000 1.933 504 A HA -0.233 4.079 4.320 -0.012 0.000 0.218 504 A C 2.172 179.790 177.584 0.057 0.000 1.175 504 A CA 1.603 53.740 52.037 0.166 0.000 0.628 504 A CB -0.589 18.537 19.000 0.211 0.000 0.814 504 A HN 0.426 nan 8.150 nan 0.000 0.444 505 E N -0.742 119.474 120.200 0.026 0.000 2.209 505 E HA -0.194 4.149 4.350 -0.012 0.000 0.196 505 E C 2.210 178.772 176.600 -0.063 0.000 0.993 505 E CA 1.154 57.553 56.400 -0.003 0.000 0.819 505 E CB 0.000 29.706 29.700 0.009 0.000 0.745 505 E HN 0.541 nan 8.360 nan 0.000 0.477 506 R N -0.145 120.258 120.500 -0.161 0.000 2.123 506 R HA 0.100 4.433 4.340 -0.012 0.000 0.209 506 R C 2.262 178.457 176.300 -0.174 0.000 1.078 506 R CA 0.758 56.673 56.100 -0.308 0.000 1.028 506 R CB -0.132 29.638 30.300 -0.883 0.000 0.939 506 R HN 0.273 nan 8.270 nan 0.000 0.463 507 I N -2.476 118.014 120.570 -0.133 0.000 4.082 507 I HA 0.446 4.609 4.170 -0.012 0.000 0.337 507 I C 0.467 176.621 176.117 0.062 0.000 1.352 507 I CA 0.036 61.320 61.300 -0.027 0.000 1.097 507 I CB 0.854 38.824 38.000 -0.050 0.000 1.048 507 I HN 0.187 nan 8.210 nan 0.000 0.393 508 G N 1.979 110.828 108.800 0.082 0.000 2.660 508 G HA2 -0.206 3.746 3.960 -0.012 0.000 0.247 508 G HA3 -0.206 3.746 3.960 -0.012 0.000 0.247 508 G C -0.073 174.960 174.900 0.222 0.000 1.328 508 G CA 0.133 45.305 45.100 0.119 0.000 0.884 508 G HN 0.413 nan 8.290 nan 0.000 0.531 509 E N -0.446 119.833 120.200 0.131 0.000 2.460 509 E HA 0.087 4.429 4.350 -0.012 0.000 0.200 509 E C 1.838 178.393 176.600 -0.076 0.000 1.011 509 E CA -0.013 56.402 56.400 0.025 0.000 0.912 509 E CB 0.254 29.959 29.700 0.009 0.000 0.953 509 E HN 0.463 nan 8.360 nan 0.000 0.494 510 E N 0.532 120.757 120.200 0.042 0.000 2.331 510 E HA -0.185 4.157 4.350 -0.012 0.000 0.199 510 E C 1.545 178.153 176.600 0.014 0.000 1.008 510 E CA 0.822 57.240 56.400 0.030 0.000 0.843 510 E CB 0.019 29.756 29.700 0.063 0.000 0.761 510 E HN 0.529 nan 8.360 nan 0.000 0.507 511 Y N -1.165 119.141 120.300 0.011 0.000 2.439 511 Y HA -0.055 4.489 4.550 -0.011 0.000 0.292 511 Y C 1.878 177.757 175.900 -0.035 0.000 1.130 511 Y CA 0.312 58.410 58.100 -0.003 0.000 1.254 511 Y CB -0.378 38.083 38.460 0.003 0.000 1.000 511 Y HN -0.103 nan 8.280 nan 0.000 0.554 512 I N 1.296 121.406 120.570 -0.767 0.000 2.335 512 I HA -0.230 3.933 4.170 -0.012 0.000 0.251 512 I C 1.559 177.433 176.117 -0.405 0.000 1.129 512 I CA 1.822 62.718 61.300 -0.673 0.000 1.402 512 I CB -1.405 36.105 38.000 -0.816 0.000 1.069 512 I HN 0.521 nan 8.210 nan 0.000 0.424 513 S N -1.505 114.063 115.700 -0.221 0.000 2.663 513 S HA 0.220 4.683 4.470 -0.012 0.000 0.243 513 S C 0.233 174.822 174.600 -0.019 0.000 1.009 513 S CA -0.434 57.711 58.200 -0.091 0.000 0.988 513 S CB 0.427 63.642 63.200 0.025 0.000 0.896 513 S HN 0.299 nan 8.310 nan 0.000 0.502 514 D N 0.885 121.283 120.400 -0.004 0.000 3.285 514 D HA 0.233 4.866 4.640 -0.012 0.000 0.273 514 D C 0.707 177.056 176.300 0.081 0.000 1.295 514 D CA -0.326 53.696 54.000 0.037 0.000 0.762 514 D CB -0.169 40.657 40.800 0.044 0.000 1.379 514 D HN 0.112 nan 8.370 nan 0.000 0.612 515 L N 0.300 121.572 121.223 0.082 0.000 2.263 515 L HA -0.157 4.176 4.340 -0.012 0.000 0.216 515 L C 1.129 178.052 176.870 0.088 0.000 1.111 515 L CA 1.232 56.147 54.840 0.125 0.000 0.773 515 L CB 0.043 42.164 42.059 0.104 0.000 0.906 515 L HN 0.296 nan 8.230 nan 0.000 0.439 516 D N -0.320 120.110 120.400 0.049 0.000 2.221 516 D HA -0.215 4.418 4.640 -0.012 0.000 0.204 516 D C 2.030 178.352 176.300 0.036 0.000 0.982 516 D CA 0.929 54.943 54.000 0.023 0.000 0.857 516 D CB -0.029 40.774 40.800 0.004 0.000 0.934 516 D HN 0.487 nan 8.370 nan 0.000 0.475 517 Q N -0.236 119.603 119.800 0.065 0.000 2.508 517 Q HA -0.104 4.229 4.340 -0.012 0.000 0.214 517 Q C 1.679 177.699 176.000 0.034 0.000 0.979 517 Q CA 0.094 55.936 55.803 0.065 0.000 0.911 517 Q CB 0.086 28.892 28.738 0.113 0.000 0.969 517 Q HN 0.191 nan 8.270 nan 0.000 0.504 518 L N 0.525 121.762 121.223 0.023 0.000 2.275 518 L HA -0.140 4.192 4.340 -0.012 0.000 0.215 518 L C 2.035 178.903 176.870 -0.004 0.000 1.119 518 L CA 1.446 56.267 54.840 -0.032 0.000 0.790 518 L CB -0.424 41.629 42.059 -0.010 0.000 0.919 518 L HN 0.125 nan 8.230 nan 0.000 0.443 519 R N -0.469 120.038 120.500 0.013 0.000 2.127 519 R HA -0.178 4.154 4.340 -0.012 0.000 0.238 519 R C 1.968 178.279 176.300 0.017 0.000 1.134 519 R CA 1.015 57.125 56.100 0.016 0.000 0.975 519 R CB -0.208 30.098 30.300 0.009 0.000 0.865 519 R HN 0.403 nan 8.270 nan 0.000 0.447 520 K N 0.597 121.008 120.400 0.017 0.000 2.281 520 K HA -0.114 4.198 4.320 -0.012 0.000 0.203 520 K C 1.874 178.522 176.600 0.081 0.000 1.046 520 K CA 0.823 57.130 56.287 0.034 0.000 0.938 520 K CB -0.088 32.438 32.500 0.042 0.000 0.737 520 K HN 0.245 nan 8.250 nan 0.000 0.458 521 L N 0.552 121.809 121.223 0.057 0.000 2.376 521 L HA -0.138 4.194 4.340 -0.012 0.000 0.219 521 L C 1.915 178.860 176.870 0.125 0.000 1.133 521 L CA 0.074 54.967 54.840 0.088 0.000 0.816 521 L CB -0.218 41.864 42.059 0.039 0.000 0.933 521 L HN 0.139 nan 8.230 nan 0.000 0.449 522 L N 0.131 121.392 121.223 0.064 0.000 2.079 522 L HA -0.206 4.127 4.340 -0.012 0.000 0.210 522 L C 2.746 179.609 176.870 -0.012 0.000 1.081 522 L CA 2.069 56.931 54.840 0.037 0.000 0.752 522 L CB -1.000 41.065 42.059 0.011 0.000 0.896 522 L HN 0.360 nan 8.230 nan 0.000 0.433 523 S N -2.545 113.100 115.700 -0.091 0.000 2.603 523 S HA -0.113 4.349 4.470 -0.012 0.000 0.229 523 S C 1.219 175.543 174.600 -0.459 0.000 0.972 523 S CA 0.406 58.445 58.200 -0.267 0.000 0.935 523 S CB -0.588 62.398 63.200 -0.356 0.000 0.769 523 S HN 0.489 nan 8.310 nan 0.000 0.536 524 Y N -0.625 119.604 120.300 -0.118 0.000 2.557 524 Y HA 0.430 4.978 4.550 -0.004 0.000 0.247 524 Y C 1.880 177.806 175.900 0.043 0.000 1.164 524 Y CA -0.577 57.443 58.100 -0.134 0.000 1.218 524 Y CB 0.213 38.372 38.460 -0.502 0.000 1.210 524 Y HN 0.245 nan 8.280 nan 0.000 0.529 525 V N 0.477 120.476 119.914 0.142 0.000 2.828 525 V HA -0.223 3.889 4.120 -0.012 0.000 0.260 525 V C 0.884 177.046 176.094 0.113 0.000 1.101 525 V CA 2.261 64.649 62.300 0.147 0.000 1.123 525 V CB -0.034 31.837 31.823 0.081 0.000 0.704 525 V HN 0.374 nan 8.190 nan 0.000 0.493 526 D N -1.116 119.330 120.400 0.078 0.000 2.433 526 D HA 0.114 4.747 4.640 -0.012 0.000 0.211 526 D C 0.405 176.751 176.300 0.077 0.000 1.114 526 D CA -0.087 53.948 54.000 0.058 0.000 0.837 526 D CB 0.138 40.949 40.800 0.018 0.000 0.984 526 D HN 0.421 nan 8.370 nan 0.000 0.505 527 D N 1.668 122.145 120.400 0.128 0.000 2.382 527 D HA -0.054 4.578 4.640 -0.012 0.000 0.259 527 D C 1.235 177.636 176.300 0.169 0.000 1.224 527 D CA 0.130 54.226 54.000 0.161 0.000 0.894 527 D CB 1.557 42.523 40.800 0.276 0.000 1.127 527 D HN -0.214 nan 8.370 nan 0.000 0.487 528 E N 3.479 123.747 120.200 0.113 0.000 2.110 528 E HA -0.135 4.208 4.350 -0.012 0.000 0.193 528 E C 1.668 178.328 176.600 0.099 0.000 0.988 528 E CA 1.344 57.797 56.400 0.089 0.000 0.804 528 E CB -0.196 29.539 29.700 0.058 0.000 0.745 528 E HN 0.597 nan 8.360 nan 0.000 0.458 529 A N -0.064 122.830 122.820 0.123 0.000 1.855 529 A HA -0.157 4.155 4.320 -0.012 0.000 0.215 529 A C 2.209 179.888 177.584 0.157 0.000 1.191 529 A CA 1.371 53.479 52.037 0.119 0.000 0.613 529 A CB -1.033 18.040 19.000 0.122 0.000 0.829 529 A HN 0.352 nan 8.150 nan 0.000 0.442 530 F N 0.675 120.645 119.950 0.033 0.000 2.065 530 F HA -0.204 4.317 4.527 -0.010 0.000 0.298 530 F C 2.097 177.907 175.800 0.017 0.000 1.112 530 F CA 1.559 59.566 58.000 0.012 0.000 1.212 530 F CB -0.453 38.571 39.000 0.040 0.000 0.975 530 F HN 0.183 nan 8.300 nan 0.000 0.476 531 I N -0.255 120.368 120.570 0.088 0.000 2.194 531 I HA -0.373 3.790 4.170 -0.012 0.000 0.246 531 I C 2.653 178.733 176.117 -0.063 0.000 1.093 531 I CA 1.822 63.115 61.300 -0.012 0.000 1.355 531 I CB -0.483 37.549 38.000 0.054 0.000 1.046 531 I HN 0.087 nan 8.210 nan 0.000 0.413 532 R N 0.802 121.288 120.500 -0.025 0.000 2.096 532 R HA -0.188 4.144 4.340 -0.012 0.000 0.235 532 R C 1.852 178.110 176.300 -0.069 0.000 1.127 532 R CA 1.852 57.932 56.100 -0.033 0.000 0.968 532 R CB -0.107 30.191 30.300 -0.004 0.000 0.861 532 R HN 0.284 nan 8.270 nan 0.000 0.440 533 D N -0.312 120.028 120.400 -0.100 0.000 2.091 533 D HA -0.115 4.518 4.640 -0.012 0.000 0.199 533 D C 1.965 178.141 176.300 -0.207 0.000 0.980 533 D CA 1.362 55.282 54.000 -0.133 0.000 0.831 533 D CB -0.335 40.392 40.800 -0.121 0.000 0.987 533 D HN 0.046 nan 8.370 nan 0.000 0.460 534 V N 1.512 121.203 119.914 -0.373 0.000 2.324 534 V HA -0.293 3.820 4.120 -0.012 0.000 0.250 534 V C 2.463 178.461 176.094 -0.159 0.000 1.060 534 V CA 2.041 64.134 62.300 -0.345 0.000 1.042 534 V CB -0.811 30.743 31.823 -0.448 0.000 0.650 534 V HN 0.211 nan 8.190 nan 0.000 0.450 535 A N -0.851 121.898 122.820 -0.119 0.000 1.969 535 A HA -0.214 4.099 4.320 -0.012 0.000 0.218 535 A C 2.356 179.905 177.584 -0.059 0.000 1.169 535 A CA 1.905 53.906 52.037 -0.061 0.000 0.635 535 A CB -0.405 18.565 19.000 -0.050 0.000 0.810 535 A HN 0.534 nan 8.150 nan 0.000 0.445 536 K N 0.247 120.607 120.400 -0.066 0.000 2.031 536 K HA -0.099 4.213 4.320 -0.012 0.000 0.205 536 K C 1.980 178.555 176.600 -0.041 0.000 1.049 536 K CA 1.671 57.929 56.287 -0.049 0.000 0.939 536 K CB -0.334 32.141 32.500 -0.043 0.000 0.717 536 K HN 0.413 nan 8.250 nan 0.000 0.438 537 V N -0.092 119.792 119.914 -0.050 0.000 2.407 537 V HA -0.180 3.932 4.120 -0.012 0.000 0.248 537 V C 2.220 178.302 176.094 -0.020 0.000 1.055 537 V CA 2.001 64.282 62.300 -0.032 0.000 1.049 537 V CB -0.645 31.154 31.823 -0.040 0.000 0.662 537 V HN 0.191 nan 8.190 nan 0.000 0.455 538 K N 0.728 121.113 120.400 -0.025 0.000 2.097 538 K HA -0.190 4.123 4.320 -0.012 0.000 0.206 538 K C 2.278 178.861 176.600 -0.029 0.000 1.049 538 K CA 2.114 58.395 56.287 -0.009 0.000 0.933 538 K CB -0.669 31.838 32.500 0.012 0.000 0.717 538 K HN 0.554 nan 8.250 nan 0.000 0.442 539 Q N 1.010 120.785 119.800 -0.041 0.000 2.119 539 Q HA -0.078 4.255 4.340 -0.012 0.000 0.201 539 Q C 1.640 177.625 176.000 -0.026 0.000 0.972 539 Q CA 1.847 57.617 55.803 -0.055 0.000 0.847 539 Q CB -0.062 28.645 28.738 -0.052 0.000 0.903 539 Q HN 0.522 nan 8.270 nan 0.000 0.433 540 E N -0.585 119.610 120.200 -0.007 0.000 2.072 540 E HA -0.132 4.210 4.350 -0.012 0.000 0.191 540 E C 1.702 178.327 176.600 0.042 0.000 0.985 540 E CA 0.902 57.311 56.400 0.015 0.000 0.801 540 E CB 0.001 29.708 29.700 0.012 0.000 0.750 540 E HN 0.383 nan 8.360 nan 0.000 0.452 541 N N 0.961 119.685 118.700 0.039 0.000 2.120 541 N HA -0.148 4.585 4.740 -0.012 0.000 0.188 541 N C 1.483 177.074 175.510 0.135 0.000 1.024 541 N CA 1.097 54.191 53.050 0.073 0.000 0.852 541 N CB -0.091 38.425 38.487 0.047 0.000 1.003 541 N HN 0.119 nan 8.380 nan 0.000 0.424 542 K N 0.523 120.974 120.400 0.084 0.000 2.057 542 K HA 0.010 4.322 4.320 -0.012 0.000 0.206 542 K C 2.102 178.825 176.600 0.206 0.000 1.050 542 K CA 0.675 57.036 56.287 0.123 0.000 0.935 542 K CB -0.185 32.159 32.500 -0.261 0.000 0.715 542 K HN 0.108 nan 8.250 nan 0.000 0.439 543 L N 1.109 122.395 121.223 0.105 0.000 2.083 543 L HA -0.180 4.153 4.340 -0.012 0.000 0.209 543 L C 2.604 179.561 176.870 0.144 0.000 1.083 543 L CA 1.125 56.030 54.840 0.108 0.000 0.752 543 L CB -0.275 41.822 42.059 0.063 0.000 0.899 543 L HN 0.119 nan 8.230 nan 0.000 0.433 544 K N -0.317 120.177 120.400 0.156 0.000 2.025 544 K HA -0.196 4.117 4.320 -0.012 0.000 0.207 544 K C 2.188 178.928 176.600 0.234 0.000 1.049 544 K CA 1.567 57.954 56.287 0.166 0.000 0.933 544 K CB -0.279 32.307 32.500 0.144 0.000 0.714 544 K HN 0.109 nan 8.250 nan 0.000 0.438 545 F N 1.536 121.573 119.950 0.145 0.000 2.134 545 F HA -0.137 4.382 4.527 -0.012 0.000 0.299 545 F C 2.107 178.037 175.800 0.218 0.000 1.097 545 F CA 1.375 59.475 58.000 0.167 0.000 1.264 545 F CB -0.521 38.577 39.000 0.163 0.000 1.001 545 F HN 0.035 nan 8.300 nan 0.000 0.479 546 A N -0.034 122.913 122.820 0.212 0.000 2.024 546 A HA -0.052 4.261 4.320 -0.012 0.000 0.220 546 A C 2.342 179.932 177.584 0.009 0.000 1.164 546 A CA 1.756 53.843 52.037 0.083 0.000 0.643 546 A CB -1.373 17.735 19.000 0.180 0.000 0.806 546 A HN 0.477 nan 8.150 nan 0.000 0.451 547 A N -1.473 121.384 122.820 0.061 0.000 1.878 547 A HA 0.043 4.356 4.320 -0.012 0.000 0.213 547 A C 2.081 179.682 177.584 0.028 0.000 1.192 547 A CA 1.311 53.381 52.037 0.055 0.000 0.619 547 A CB -0.848 18.200 19.000 0.080 0.000 0.837 547 A HN 0.727 nan 8.150 nan 0.000 0.446 548 Y N 0.256 120.500 120.300 -0.093 0.000 2.193 548 Y HA -0.226 4.317 4.550 -0.012 0.000 0.285 548 Y C 1.856 177.667 175.900 -0.149 0.000 1.166 548 Y CA 1.744 59.777 58.100 -0.112 0.000 1.181 548 Y CB -0.320 38.077 38.460 -0.106 0.000 0.976 548 Y HN 0.193 nan 8.280 nan 0.000 0.520 549 L N 0.876 122.027 121.223 -0.119 0.000 2.042 549 L HA -0.212 4.121 4.340 -0.012 0.000 0.210 549 L C 2.320 179.136 176.870 -0.089 0.000 1.076 549 L CA 2.045 56.802 54.840 -0.137 0.000 0.749 549 L CB -0.980 40.937 42.059 -0.237 0.000 0.893 549 L HN 0.354 nan 8.230 nan 0.000 0.432 550 E N -1.665 118.490 120.200 -0.074 0.000 2.158 550 E HA -0.127 4.216 4.350 -0.012 0.000 0.191 550 E C 2.266 178.814 176.600 -0.087 0.000 0.982 550 E CA 0.252 56.633 56.400 -0.031 0.000 0.823 550 E CB 0.120 29.840 29.700 0.033 0.000 0.766 550 E HN 0.361 nan 8.360 nan 0.000 0.468 551 R N 0.768 121.178 120.500 -0.150 0.000 2.082 551 R HA -0.155 4.177 4.340 -0.012 0.000 0.228 551 R C 1.919 178.045 176.300 -0.289 0.000 1.140 551 R CA 1.640 57.626 56.100 -0.190 0.000 0.920 551 R CB -0.037 30.142 30.300 -0.202 0.000 0.828 551 R HN -0.018 nan 8.270 nan 0.000 0.430 552 E N -1.681 118.203 120.200 -0.527 0.000 2.385 552 E HA -0.051 4.292 4.350 -0.012 0.000 0.194 552 E C 0.639 176.766 176.600 -0.788 0.000 1.013 552 E CA 0.726 56.695 56.400 -0.718 0.000 0.866 552 E CB 0.434 29.488 29.700 -1.077 0.000 0.832 552 E HN 0.376 nan 8.360 nan 0.000 0.500 553 Y N -0.037 120.129 120.300 -0.223 0.000 2.423 553 Y HA 0.281 4.823 4.550 -0.013 0.000 0.257 553 Y C -0.390 175.470 175.900 -0.065 0.000 1.087 553 Y CA -0.486 57.548 58.100 -0.111 0.000 1.258 553 Y CB 0.693 39.099 38.460 -0.090 0.000 1.237 553 Y HN -0.327 nan 8.280 nan 0.000 0.517 554 K N 1.091 121.517 120.400 0.042 0.000 6.088 554 K HA -0.081 4.232 4.320 -0.012 0.000 0.624 554 K C -0.489 176.148 176.600 0.063 0.000 1.685 554 K CA 0.982 57.291 56.287 0.037 0.000 1.516 554 K CB -1.403 31.107 32.500 0.017 0.000 1.815 554 K HN 0.394 nan 8.250 nan 0.000 0.319 555 V N -2.636 117.321 119.914 0.070 0.000 5.969 555 V HA -0.008 4.105 4.120 -0.012 0.000 0.899 555 V C -0.127 176.042 176.094 0.125 0.000 2.504 555 V CA -0.004 62.349 62.300 0.090 0.000 4.677 555 V CB -1.180 30.691 31.823 0.079 0.000 0.137 555 V HN 1.016 nan 8.190 nan 0.000 0.650 556 H N 1.158 120.233 119.070 0.008 0.000 2.892 556 H HA -0.088 4.461 4.556 -0.012 0.000 0.274 556 H C -0.337 174.995 175.328 0.008 0.000 0.794 556 H CA 1.862 57.916 56.048 0.011 0.000 1.128 556 H CB 0.090 29.864 29.762 0.019 0.000 1.126 556 H HN 1.294 nan 8.280 nan 0.000 0.623 557 I N 0.282 120.507 120.570 -0.575 0.000 3.006 557 I HA 0.392 4.555 4.170 -0.012 0.000 0.306 557 I C -0.697 175.178 176.117 -0.402 0.000 1.250 557 I CA -1.290 59.821 61.300 -0.316 0.000 0.996 557 I CB 2.155 40.052 38.000 -0.172 0.000 1.261 557 I HN 0.625 nan 8.210 nan 0.000 0.442 558 N N 4.162 122.815 118.700 -0.079 0.000 2.439 558 N HA 0.482 5.215 4.740 -0.012 0.000 0.249 558 N C -2.123 173.469 175.510 0.137 0.000 1.003 558 N CA -2.521 50.545 53.050 0.026 0.000 0.942 558 N CB 1.300 39.829 38.487 0.070 0.000 1.115 558 N HN 0.372 nan 8.380 nan 0.000 0.505 559 P HA 0.052 nan 4.420 nan 0.000 0.239 559 P C -0.131 177.104 177.300 -0.108 0.000 1.184 559 P CA 0.919 64.033 63.100 0.023 0.000 0.760 559 P CB 0.140 31.859 31.700 0.031 0.000 0.884 560 N N -1.188 117.499 118.700 -0.021 0.000 2.325 560 N HA 0.010 4.743 4.740 -0.012 0.000 0.182 560 N C 0.511 176.021 175.510 -0.000 0.000 1.088 560 N CA -0.115 52.921 53.050 -0.023 0.000 0.879 560 N CB 0.142 38.639 38.487 0.017 0.000 0.983 560 N HN 0.139 nan 8.380 nan 0.000 0.471 561 S N 0.173 115.877 115.700 0.007 0.000 2.655 561 S HA 0.221 4.683 4.470 -0.012 0.000 0.265 561 S C 0.019 174.548 174.600 -0.118 0.000 1.240 561 S CA -0.860 57.338 58.200 -0.003 0.000 0.986 561 S CB 1.021 64.254 63.200 0.054 0.000 0.985 561 S HN 0.145 nan 8.310 nan 0.000 0.562 562 L N 1.553 122.583 121.223 -0.321 0.000 2.360 562 L HA 0.367 4.700 4.340 -0.012 0.000 0.276 562 L C -1.103 175.723 176.870 -0.074 0.000 1.121 562 L CA -0.654 53.799 54.840 -0.645 0.000 0.845 562 L CB -0.049 41.371 42.059 -1.065 0.000 1.143 562 L HN 0.610 nan 8.230 nan 0.000 0.452 563 F N 3.641 123.447 119.950 -0.240 0.000 2.405 563 F HA 0.178 4.698 4.527 -0.011 0.000 0.358 563 F C 0.420 176.143 175.800 -0.129 0.000 1.151 563 F CA -0.986 56.940 58.000 -0.124 0.000 1.161 563 F CB 0.139 39.111 39.000 -0.046 0.000 1.245 563 F HN 0.408 nan 8.300 nan 0.000 0.545 564 D N 3.873 124.272 120.400 -0.002 0.000 2.428 564 D HA 0.277 4.910 4.640 -0.012 0.000 0.221 564 D C -0.932 175.304 176.300 -0.107 0.000 1.123 564 D CA 0.071 54.024 54.000 -0.078 0.000 0.869 564 D CB 1.060 41.802 40.800 -0.096 0.000 1.032 564 D HN 0.287 nan 8.370 nan 0.000 0.506 565 V N 2.988 122.824 119.914 -0.130 0.000 2.735 565 V HA 0.570 4.682 4.120 -0.012 0.000 0.310 565 V C -1.399 174.551 176.094 -0.239 0.000 1.061 565 V CA -0.683 61.524 62.300 -0.156 0.000 0.913 565 V CB 1.943 33.721 31.823 -0.076 0.000 1.005 565 V HN 0.509 nan 8.190 nan 0.000 0.428 566 Q N 4.510 124.183 119.800 -0.213 0.000 2.337 566 Q HA 0.671 5.003 4.340 -0.012 0.000 0.264 566 Q C -1.568 174.272 176.000 -0.267 0.000 1.007 566 Q CA -0.647 55.017 55.803 -0.230 0.000 0.727 566 Q CB 1.908 30.537 28.738 -0.181 0.000 1.256 566 Q HN 1.136 nan 8.270 nan 0.000 0.467 567 V N 2.187 121.930 119.914 -0.285 0.000 2.483 567 V HA 0.855 4.968 4.120 -0.012 0.000 0.297 567 V C -0.827 174.982 176.094 -0.476 0.000 1.027 567 V CA -0.582 61.354 62.300 -0.606 0.000 0.855 567 V CB 1.285 32.519 31.823 -0.983 0.000 0.995 567 V HN 0.822 nan 8.190 nan 0.000 0.424 568 K N 2.690 122.865 120.400 -0.374 0.000 2.999 568 K HA 0.399 4.712 4.320 -0.012 0.000 0.295 568 K C -1.315 175.299 176.600 0.024 0.000 1.082 568 K CA -1.025 55.235 56.287 -0.045 0.000 0.816 568 K CB 0.975 33.448 32.500 -0.045 0.000 1.492 568 K HN 0.482 nan 8.250 nan 0.000 0.362 569 R N 0.810 121.382 120.500 0.119 0.000 2.679 569 R HA 0.189 4.521 4.340 -0.012 0.000 0.268 569 R C 0.407 176.734 176.300 0.045 0.000 1.044 569 R CA -0.382 55.791 56.100 0.121 0.000 1.105 569 R CB -0.178 30.233 30.300 0.186 0.000 0.989 569 R HN 0.454 nan 8.270 nan 0.000 0.447 570 I N 4.466 125.032 120.570 -0.006 0.000 2.517 570 I HA 0.068 4.231 4.170 -0.012 0.000 0.285 570 I C 0.820 176.829 176.117 -0.179 0.000 1.106 570 I CA 0.696 61.949 61.300 -0.079 0.000 1.402 570 I CB -0.292 37.661 38.000 -0.078 0.000 1.399 570 I HN 0.282 nan 8.210 nan 0.000 0.535 571 H N 4.302 123.278 119.070 -0.156 0.000 3.012 571 H HA 0.249 4.797 4.556 -0.012 0.000 0.367 571 H C 0.359 175.564 175.328 -0.206 0.000 1.211 571 H CA -0.479 55.500 56.048 -0.115 0.000 1.139 571 H CB 2.105 31.684 29.762 -0.303 0.000 1.838 571 H HN 0.518 nan 8.280 nan 0.000 0.550 572 E N 0.988 121.240 120.200 0.086 0.000 2.107 572 E HA -0.156 4.187 4.350 -0.012 0.000 0.191 572 E C 1.388 177.716 176.600 -0.452 0.000 0.982 572 E CA 0.999 57.365 56.400 -0.056 0.000 0.809 572 E CB 0.105 29.935 29.700 0.218 0.000 0.756 572 E HN 0.524 nan 8.360 nan 0.000 0.459 573 Y N 0.689 120.455 120.300 -0.890 0.000 2.439 573 Y HA 0.027 4.570 4.550 -0.013 0.000 0.292 573 Y C 1.489 177.110 175.900 -0.464 0.000 1.130 573 Y CA 0.704 58.101 58.100 -1.172 0.000 1.254 573 Y CB 0.032 37.845 38.460 -1.079 0.000 1.000 573 Y HN -0.217 nan 8.280 nan 0.000 0.554 574 K N 0.902 120.844 120.400 -0.762 0.000 2.418 574 K HA 0.059 4.371 4.320 -0.012 0.000 0.195 574 K C 0.143 176.572 176.600 -0.284 0.000 1.035 574 K CA 0.520 56.475 56.287 -0.554 0.000 1.003 574 K CB -0.049 32.138 32.500 -0.520 0.000 0.793 574 K HN 0.371 nan 8.250 nan 0.000 0.494 575 R N 0.768 121.128 120.500 -0.233 0.000 3.336 575 R HA -0.201 4.131 4.340 -0.012 0.000 0.260 575 R C 0.440 176.661 176.300 -0.131 0.000 1.032 575 R CA 0.238 56.251 56.100 -0.145 0.000 0.693 575 R CB -1.802 28.427 30.300 -0.118 0.000 1.134 575 R HN 0.279 nan 8.270 nan 0.000 0.433 576 Q N 0.273 119.997 119.800 -0.128 0.000 2.291 576 Q HA -0.015 4.318 4.340 -0.012 0.000 0.206 576 Q C 2.048 178.000 176.000 -0.080 0.000 0.976 576 Q CA 1.224 56.965 55.803 -0.102 0.000 0.875 576 Q CB 0.066 28.748 28.738 -0.093 0.000 0.927 576 Q HN 0.567 nan 8.270 nan 0.000 0.450 577 L N -0.605 120.572 121.223 -0.077 0.000 2.083 577 L HA -0.177 4.155 4.340 -0.012 0.000 0.209 577 L C 1.969 178.836 176.870 -0.005 0.000 1.083 577 L CA 0.560 55.368 54.840 -0.053 0.000 0.752 577 L CB -0.298 41.738 42.059 -0.039 0.000 0.899 577 L HN 0.323 nan 8.230 nan 0.000 0.433 578 L N 0.081 121.293 121.223 -0.018 0.000 2.046 578 L HA -0.250 4.082 4.340 -0.012 0.000 0.208 578 L C 2.016 178.936 176.870 0.082 0.000 1.077 578 L CA 1.948 56.789 54.840 0.002 0.000 0.747 578 L CB -0.852 41.097 42.059 -0.182 0.000 0.896 578 L HN 0.283 nan 8.230 nan 0.000 0.432 579 N N -1.727 116.989 118.700 0.027 0.000 2.104 579 N HA -0.241 4.492 4.740 -0.012 0.000 0.190 579 N C 1.960 177.558 175.510 0.147 0.000 1.024 579 N CA 1.683 54.828 53.050 0.158 0.000 0.853 579 N CB -0.141 38.372 38.487 0.043 0.000 1.008 579 N HN 0.494 nan 8.380 nan 0.000 0.424 580 C N 0.550 119.871 119.300 0.034 0.000 2.413 580 C HA -0.086 4.367 4.460 -0.012 0.000 0.276 580 C C 2.591 177.582 174.990 0.002 0.000 1.248 580 C CA 0.377 59.368 59.018 -0.044 0.000 1.742 580 C CB -1.275 26.387 27.740 -0.131 0.000 2.017 580 C HN 0.516 nan 8.230 nan 0.000 0.481 581 L N -0.302 120.983 121.223 0.103 0.000 2.079 581 L HA -0.215 4.117 4.340 -0.012 0.000 0.210 581 L C 2.738 179.774 176.870 0.277 0.000 1.081 581 L CA 1.895 56.847 54.840 0.186 0.000 0.752 581 L CB -1.071 41.169 42.059 0.303 0.000 0.896 581 L HN 0.612 nan 8.230 nan 0.000 0.433 582 H N -0.235 118.954 119.070 0.200 0.000 2.357 582 H HA -0.128 4.420 4.556 -0.012 0.000 0.301 582 H C 2.251 177.580 175.328 0.000 0.000 1.082 582 H CA 1.763 57.848 56.048 0.062 0.000 1.342 582 H CB 0.355 30.087 29.762 -0.049 0.000 1.389 582 H HN 0.086 nan 8.280 nan 0.000 0.511 583 V N 1.536 121.366 119.914 -0.139 0.000 2.332 583 V HA -0.271 3.842 4.120 -0.012 0.000 0.248 583 V C 2.787 178.814 176.094 -0.111 0.000 1.055 583 V CA 1.847 64.025 62.300 -0.204 0.000 1.038 583 V CB -0.479 31.274 31.823 -0.117 0.000 0.651 583 V HN 0.398 nan 8.190 nan 0.000 0.450 584 I N -0.330 120.213 120.570 -0.045 0.000 2.315 584 I HA -0.208 3.955 4.170 -0.012 0.000 0.248 584 I C 2.480 178.666 176.117 0.114 0.000 1.117 584 I CA 1.623 62.966 61.300 0.071 0.000 1.404 584 I CB -0.607 37.411 38.000 0.029 0.000 1.071 584 I HN 0.319 nan 8.210 nan 0.000 0.419 585 T N 1.176 115.754 114.554 0.040 0.000 2.708 585 T HA -0.144 4.199 4.350 -0.012 0.000 0.266 585 T C 1.877 176.546 174.700 -0.051 0.000 1.037 585 T CA 1.171 63.289 62.100 0.030 0.000 1.146 585 T CB -0.228 68.685 68.868 0.074 0.000 0.865 585 T HN 0.072 nan 8.240 nan 0.000 0.435 586 L N 0.212 121.334 121.223 -0.167 0.000 2.012 586 L HA -0.050 4.283 4.340 -0.012 0.000 0.210 586 L C 2.127 178.964 176.870 -0.056 0.000 1.073 586 L CA 1.618 56.351 54.840 -0.178 0.000 0.748 586 L CB -1.111 40.770 42.059 -0.298 0.000 0.891 586 L HN 0.331 nan 8.230 nan 0.000 0.431 587 Y N 0.502 120.743 120.300 -0.099 0.000 2.128 587 Y HA -0.282 4.260 4.550 -0.013 0.000 0.284 587 Y C 2.465 178.349 175.900 -0.028 0.000 1.154 587 Y CA 1.929 60.009 58.100 -0.033 0.000 1.149 587 Y CB -0.333 38.155 38.460 0.047 0.000 0.976 587 Y HN 0.281 nan 8.280 nan 0.000 0.505 588 N N 0.367 119.036 118.700 -0.051 0.000 2.223 588 N HA -0.140 4.592 4.740 -0.012 0.000 0.185 588 N C 1.872 177.277 175.510 -0.175 0.000 1.016 588 N CA 1.478 54.432 53.050 -0.161 0.000 0.863 588 N CB -0.338 38.119 38.487 -0.049 0.000 0.983 588 N HN 0.446 nan 8.380 nan 0.000 0.429 589 R N 0.225 120.649 120.500 -0.127 0.000 2.092 589 R HA 0.106 4.439 4.340 -0.012 0.000 0.231 589 R C 2.168 178.385 176.300 -0.138 0.000 1.119 589 R CA 0.660 56.691 56.100 -0.114 0.000 0.970 589 R CB -0.179 30.066 30.300 -0.092 0.000 0.864 589 R HN 0.226 nan 8.270 nan 0.000 0.440 590 I N 0.887 121.353 120.570 -0.173 0.000 2.252 590 I HA -0.253 3.910 4.170 -0.012 0.000 0.245 590 I C 2.021 178.021 176.117 -0.194 0.000 1.102 590 I CA 1.150 62.348 61.300 -0.170 0.000 1.385 590 I CB -0.092 37.806 38.000 -0.169 0.000 1.064 590 I HN 0.007 nan 8.210 nan 0.000 0.414 591 K N 0.749 120.972 120.400 -0.297 0.000 2.209 591 K HA -0.199 4.114 4.320 -0.012 0.000 0.204 591 K C 2.007 178.507 176.600 -0.166 0.000 1.048 591 K CA 1.067 57.191 56.287 -0.273 0.000 0.940 591 K CB -0.245 32.011 32.500 -0.407 0.000 0.729 591 K HN 0.145 nan 8.250 nan 0.000 0.451 592 K N 1.783 122.094 120.400 -0.148 0.000 2.076 592 K HA -0.061 4.252 4.320 -0.012 0.000 0.204 592 K C 0.123 176.677 176.600 -0.077 0.000 1.051 592 K CA 1.188 57.414 56.287 -0.102 0.000 0.949 592 K CB 0.368 32.812 32.500 -0.093 0.000 0.726 592 K HN 0.063 nan 8.250 nan 0.000 0.443 593 E N 0.613 120.766 120.200 -0.078 0.000 3.108 593 E HA 0.170 4.513 4.350 -0.012 0.000 0.228 593 E C -2.340 174.226 176.600 -0.057 0.000 1.176 593 E CA -1.722 54.645 56.400 -0.055 0.000 0.881 593 E CB 1.545 31.219 29.700 -0.043 0.000 1.354 593 E HN 0.083 nan 8.360 nan 0.000 0.400 594 P HA -0.179 nan 4.420 nan 0.000 0.216 594 P C 0.321 177.604 177.300 -0.029 0.000 1.153 594 P CA 1.338 64.407 63.100 -0.052 0.000 0.858 594 P CB 0.133 31.807 31.700 -0.044 0.000 0.789 595 N N -1.016 117.676 118.700 -0.013 0.000 2.322 595 N HA 0.019 4.751 4.740 -0.012 0.000 0.216 595 N C 0.417 175.943 175.510 0.027 0.000 1.144 595 N CA 0.018 53.073 53.050 0.009 0.000 0.830 595 N CB -0.071 38.421 38.487 0.009 0.000 1.034 595 N HN 0.068 nan 8.380 nan 0.000 0.484 596 K N 1.072 121.482 120.400 0.017 0.000 2.159 596 K HA 0.185 4.498 4.320 -0.012 0.000 0.266 596 K C -1.038 175.603 176.600 0.068 0.000 0.975 596 K CA -0.646 55.667 56.287 0.043 0.000 0.865 596 K CB 0.813 33.319 32.500 0.010 0.000 1.087 596 K HN -0.027 nan 8.250 nan 0.000 0.446 597 F N 4.602 124.540 119.950 -0.021 0.000 2.443 597 F HA 0.262 4.782 4.527 -0.012 0.000 0.353 597 F C -0.451 175.336 175.800 -0.022 0.000 1.101 597 F CA -0.140 57.849 58.000 -0.019 0.000 1.226 597 F CB 0.715 39.706 39.000 -0.014 0.000 1.140 597 F HN 0.193 nan 8.300 nan 0.000 0.557 598 V N 3.994 123.315 119.914 -0.988 0.000 2.925 598 V HA 0.526 4.639 4.120 -0.012 0.000 0.311 598 V C -0.815 174.671 176.094 -1.014 0.000 1.104 598 V CA -1.227 60.646 62.300 -0.711 0.000 0.954 598 V CB 0.935 32.542 31.823 -0.359 0.000 1.022 598 V HN 0.595 nan 8.190 nan 0.000 0.427 599 V N 4.654 124.256 119.914 -0.521 0.000 2.493 599 V HA 0.194 4.306 4.120 -0.012 0.000 0.292 599 V C -1.795 174.133 176.094 -0.277 0.000 1.016 599 V CA -0.385 61.737 62.300 -0.297 0.000 1.097 599 V CB 0.425 32.202 31.823 -0.076 0.000 0.947 599 V HN 0.914 nan 8.190 nan 0.000 0.479 600 P HA 0.376 nan 4.420 nan 0.000 0.268 600 P C -0.468 176.741 177.300 -0.151 0.000 1.205 600 P CA -0.148 62.861 63.100 -0.152 0.000 0.771 600 P CB 0.583 32.239 31.700 -0.072 0.000 0.858 601 R N 0.637 121.062 120.500 -0.125 0.000 2.725 601 R HA 0.605 4.938 4.340 -0.012 0.000 0.277 601 R C -0.907 175.357 176.300 -0.059 0.000 0.987 601 R CA -0.589 55.440 56.100 -0.119 0.000 0.901 601 R CB 1.997 32.207 30.300 -0.149 0.000 1.207 601 R HN 0.287 nan 8.270 nan 0.000 0.463 602 T N 1.936 116.478 114.554 -0.020 0.000 2.864 602 T HA 0.219 4.562 4.350 -0.012 0.000 0.310 602 T C -0.867 173.760 174.700 -0.121 0.000 1.040 602 T CA -0.557 61.501 62.100 -0.071 0.000 0.977 602 T CB 1.136 69.934 68.868 -0.117 0.000 0.976 602 T HN 0.341 nan 8.240 nan 0.000 0.459 603 V N 5.080 124.923 119.914 -0.118 0.000 2.383 603 V HA 0.703 4.816 4.120 -0.012 0.000 0.275 603 V C -0.564 175.448 176.094 -0.137 0.000 1.036 603 V CA -0.649 61.581 62.300 -0.116 0.000 0.889 603 V CB 0.758 32.530 31.823 -0.085 0.000 0.985 603 V HN 0.864 nan 8.190 nan 0.000 0.459 604 M N 7.433 126.936 119.600 -0.161 0.000 2.227 604 M HA 0.610 5.082 4.480 -0.012 0.000 0.335 604 M C -0.951 175.233 176.300 -0.193 0.000 1.053 604 M CA -0.248 54.946 55.300 -0.178 0.000 0.973 604 M CB 2.031 34.513 32.600 -0.196 0.000 1.623 604 M HN 0.529 nan 8.290 nan 0.000 0.434 605 I N 1.921 122.361 120.570 -0.217 0.000 2.466 605 I HA 0.792 4.955 4.170 -0.012 0.000 0.289 605 I C 0.026 175.826 176.117 -0.528 0.000 1.026 605 I CA -0.602 60.549 61.300 -0.249 0.000 1.078 605 I CB 2.253 40.199 38.000 -0.089 0.000 1.249 605 I HN 0.810 nan 8.210 nan 0.000 0.429 606 G N 3.096 111.551 108.800 -0.575 0.000 2.696 606 G HA2 0.837 4.790 3.960 -0.012 0.000 0.295 606 G HA3 0.837 4.790 3.960 -0.012 0.000 0.295 606 G C -1.015 173.596 174.900 -0.481 0.000 1.398 606 G CA -0.824 43.794 45.100 -0.803 0.000 0.920 606 G HN 0.967 nan 8.290 nan 0.000 0.492 607 G N -0.301 108.368 108.800 -0.220 0.000 2.352 607 G HA2 0.416 4.369 3.960 -0.012 0.000 0.303 607 G HA3 0.416 4.369 3.960 -0.012 0.000 0.303 607 G C -1.349 173.680 174.900 0.215 0.000 1.593 607 G CA -1.020 44.115 45.100 0.059 0.000 0.963 607 G HN 0.602 nan 8.290 nan 0.000 0.685 608 K N -0.141 120.377 120.400 0.196 0.000 2.110 608 K HA 0.769 5.082 4.320 -0.012 0.000 0.263 608 K C 0.248 176.966 176.600 0.197 0.000 0.975 608 K CA -0.206 56.209 56.287 0.213 0.000 0.895 608 K CB 2.000 34.522 32.500 0.036 0.000 1.060 608 K HN 0.877 nan 8.250 nan 0.000 0.448 609 A N 1.452 124.428 122.820 0.261 0.000 2.317 609 A HA 0.657 4.969 4.320 -0.012 0.000 0.327 609 A C -0.520 177.231 177.584 0.279 0.000 1.178 609 A CA -0.737 51.395 52.037 0.159 0.000 0.817 609 A CB 1.069 20.097 19.000 0.046 0.000 1.189 609 A HN 0.776 nan 8.150 nan 0.000 0.489 610 A N 3.554 126.510 122.820 0.227 0.000 2.511 610 A HA 0.467 4.779 4.320 -0.012 0.000 0.242 610 A C -1.384 176.289 177.584 0.149 0.000 1.069 610 A CA -0.765 51.416 52.037 0.239 0.000 0.763 610 A CB -0.365 18.738 19.000 0.171 0.000 1.001 610 A HN 0.599 nan 8.150 nan 0.000 0.498 611 P HA -0.154 nan 4.420 nan 0.000 0.217 611 P C 1.346 178.645 177.300 -0.002 0.000 1.151 611 P CA 2.039 65.090 63.100 -0.082 0.000 0.849 611 P CB 0.181 31.767 31.700 -0.191 0.000 0.787 612 G N -3.138 105.688 108.800 0.044 0.000 3.042 612 G HA2 -0.116 3.836 3.960 -0.012 0.000 0.212 612 G HA3 -0.116 3.836 3.960 -0.012 0.000 0.212 612 G C -0.112 174.850 174.900 0.104 0.000 1.166 612 G CA -0.020 45.114 45.100 0.056 0.000 0.767 612 G HN 0.172 nan 8.290 nan 0.000 0.546 613 Y N 2.376 122.639 120.300 -0.061 0.000 2.636 613 Y HA 0.195 4.737 4.550 -0.012 0.000 0.341 613 Y C 1.461 177.355 175.900 -0.009 0.000 1.169 613 Y CA -1.838 56.210 58.100 -0.088 0.000 1.498 613 Y CB -0.754 37.615 38.460 -0.152 0.000 1.362 613 Y HN 0.373 nan 8.280 nan 0.000 0.494 614 H N 3.584 122.764 119.070 0.182 0.000 2.289 614 H HA -0.236 4.313 4.556 -0.012 0.000 0.296 614 H C 1.722 177.058 175.328 0.014 0.000 1.091 614 H CA 2.399 58.497 56.048 0.082 0.000 1.274 614 H CB 0.358 30.168 29.762 0.081 0.000 1.364 614 H HN 0.603 nan 8.280 nan 0.000 0.490 615 M N 1.056 120.597 119.600 -0.097 0.000 2.108 615 M HA -0.096 4.377 4.480 -0.012 0.000 0.261 615 M C 2.581 178.605 176.300 -0.460 0.000 1.066 615 M CA 1.904 57.061 55.300 -0.238 0.000 1.107 615 M CB -0.845 31.743 32.600 -0.019 0.000 1.356 615 M HN 0.351 nan 8.290 nan 0.000 0.406 616 A N -0.455 121.839 122.820 -0.876 0.000 1.933 616 A HA -0.199 4.114 4.320 -0.012 0.000 0.218 616 A C 2.180 179.553 177.584 -0.351 0.000 1.175 616 A CA 1.890 53.480 52.037 -0.744 0.000 0.628 616 A CB -0.661 17.732 19.000 -1.011 0.000 0.814 616 A HN 0.608 nan 8.150 nan 0.000 0.444 617 K N -1.174 119.072 120.400 -0.255 0.000 2.217 617 K HA 0.011 4.323 4.320 -0.012 0.000 0.202 617 K C 1.831 178.382 176.600 -0.082 0.000 1.051 617 K CA 1.020 57.250 56.287 -0.095 0.000 0.952 617 K CB -0.173 32.334 32.500 0.012 0.000 0.736 617 K HN 0.338 nan 8.250 nan 0.000 0.453 618 M N 0.544 120.040 119.600 -0.173 0.000 2.254 618 M HA -0.050 4.422 4.480 -0.012 0.000 0.265 618 M C 2.075 178.309 176.300 -0.110 0.000 1.066 618 M CA 1.357 56.595 55.300 -0.104 0.000 1.123 618 M CB -0.520 31.990 32.600 -0.150 0.000 1.388 618 M HN 0.118 nan 8.290 nan 0.000 0.425 619 I N -0.323 120.144 120.570 -0.172 0.000 2.315 619 I HA -0.279 3.884 4.170 -0.012 0.000 0.248 619 I C 2.272 178.256 176.117 -0.222 0.000 1.117 619 I CA 0.932 62.123 61.300 -0.182 0.000 1.404 619 I CB -0.243 37.647 38.000 -0.183 0.000 1.071 619 I HN 0.166 nan 8.210 nan 0.000 0.419 620 I N 0.708 121.124 120.570 -0.258 0.000 2.226 620 I HA -0.293 3.869 4.170 -0.012 0.000 0.245 620 I C 2.580 178.400 176.117 -0.495 0.000 1.100 620 I CA 1.210 62.257 61.300 -0.422 0.000 1.374 620 I CB -0.260 37.476 38.000 -0.439 0.000 1.057 620 I HN 0.157 nan 8.210 nan 0.000 0.413 621 K N 1.500 121.625 120.400 -0.459 0.000 2.097 621 K HA -0.139 4.174 4.320 -0.012 0.000 0.206 621 K C 2.032 178.467 176.600 -0.276 0.000 1.049 621 K CA 1.397 57.329 56.287 -0.592 0.000 0.933 621 K CB -0.507 31.346 32.500 -1.079 0.000 0.717 621 K HN 0.216 nan 8.250 nan 0.000 0.442 622 L N 0.420 121.521 121.223 -0.204 0.000 2.017 622 L HA -0.153 4.180 4.340 -0.012 0.000 0.208 622 L C 2.139 178.774 176.870 -0.392 0.000 1.073 622 L CA 1.682 56.246 54.840 -0.461 0.000 0.745 622 L CB -0.306 41.408 42.059 -0.575 0.000 0.894 622 L HN 0.263 nan 8.230 nan 0.000 0.432 623 I N -0.057 120.330 120.570 -0.305 0.000 2.163 623 I HA -0.340 3.823 4.170 -0.012 0.000 0.243 623 I C 2.608 178.610 176.117 -0.192 0.000 1.085 623 I CA 1.978 63.148 61.300 -0.217 0.000 1.347 623 I CB -0.612 37.334 38.000 -0.091 0.000 1.044 623 I HN 0.425 nan 8.210 nan 0.000 0.408 624 T N -0.937 113.472 114.554 -0.242 0.000 2.867 624 T HA -0.025 4.317 4.350 -0.012 0.000 0.268 624 T C 1.959 176.584 174.700 -0.125 0.000 1.057 624 T CA 0.862 62.856 62.100 -0.177 0.000 1.136 624 T CB -0.396 68.324 68.868 -0.247 0.000 0.874 624 T HN 0.341 nan 8.240 nan 0.000 0.466 625 A N 1.474 124.214 122.820 -0.133 0.000 1.930 625 A HA 0.159 4.471 4.320 -0.012 0.000 0.217 625 A C 2.340 179.914 177.584 -0.016 0.000 1.175 625 A CA 1.187 53.210 52.037 -0.023 0.000 0.627 625 A CB -0.784 18.279 19.000 0.104 0.000 0.815 625 A HN 0.576 nan 8.150 nan 0.000 0.443 626 I N -0.302 120.151 120.570 -0.194 0.000 2.252 626 I HA -0.178 3.984 4.170 -0.012 0.000 0.245 626 I C 2.684 178.742 176.117 -0.098 0.000 1.102 626 I CA 1.133 62.294 61.300 -0.231 0.000 1.385 626 I CB -0.522 37.232 38.000 -0.409 0.000 1.064 626 I HN 0.382 nan 8.210 nan 0.000 0.414 627 G N 0.235 108.974 108.800 -0.102 0.000 2.422 627 G HA2 -0.244 3.708 3.960 -0.012 0.000 0.218 627 G HA3 -0.244 3.708 3.960 -0.012 0.000 0.218 627 G C 1.258 176.120 174.900 -0.063 0.000 1.146 627 G CA 0.866 45.913 45.100 -0.088 0.000 0.769 627 G HN 0.273 nan 8.290 nan 0.000 0.547 628 D N 0.122 120.530 120.400 0.013 0.000 2.123 628 D HA -0.088 4.545 4.640 -0.012 0.000 0.196 628 D C 2.741 179.130 176.300 0.147 0.000 0.992 628 D CA 0.747 54.824 54.000 0.128 0.000 0.833 628 D CB -0.292 40.559 40.800 0.084 0.000 0.954 628 D HN 0.231 nan 8.370 nan 0.000 0.455 629 V N 0.352 120.285 119.914 0.030 0.000 2.256 629 V HA -0.167 3.946 4.120 -0.012 0.000 0.240 629 V C 2.662 178.696 176.094 -0.100 0.000 1.036 629 V CA 0.928 63.190 62.300 -0.062 0.000 1.008 629 V CB -0.526 31.207 31.823 -0.151 0.000 0.648 629 V HN 0.023 nan 8.190 nan 0.000 0.453 630 V N 1.042 120.832 119.914 -0.207 0.000 2.287 630 V HA -0.255 3.857 4.120 -0.012 0.000 0.248 630 V C 2.136 178.176 176.094 -0.089 0.000 1.053 630 V CA 2.227 64.416 62.300 -0.184 0.000 1.027 630 V CB -0.971 30.736 31.823 -0.193 0.000 0.646 630 V HN 0.582 nan 8.190 nan 0.000 0.447 631 N N -0.484 118.088 118.700 -0.214 0.000 2.550 631 N HA -0.082 4.650 4.740 -0.012 0.000 0.186 631 N C 1.138 176.338 175.510 -0.516 0.000 1.110 631 N CA 0.885 53.714 53.050 -0.369 0.000 0.912 631 N CB -0.294 37.891 38.487 -0.503 0.000 0.968 631 N HN 0.714 nan 8.380 nan 0.000 0.448 632 H N -1.692 117.390 119.070 0.020 0.000 2.785 632 H HA 0.206 4.755 4.556 -0.012 0.000 0.268 632 H C -0.572 174.781 175.328 0.041 0.000 1.153 632 H CA -0.515 55.546 56.048 0.022 0.000 1.111 632 H CB 0.699 30.462 29.762 0.003 0.000 1.633 632 H HN -0.032 nan 8.280 nan 0.000 0.576 633 D N 1.794 122.272 120.400 0.130 0.000 2.316 633 D HA 0.044 4.677 4.640 -0.012 0.000 0.245 633 D C -1.600 174.762 176.300 0.104 0.000 1.171 633 D CA -2.082 52.009 54.000 0.151 0.000 0.856 633 D CB 1.719 42.681 40.800 0.270 0.000 1.090 633 D HN 0.111 nan 8.370 nan 0.000 0.476 634 P HA -0.124 nan 4.420 nan 0.000 0.217 634 P C 1.622 178.948 177.300 0.042 0.000 1.150 634 P CA 0.376 63.510 63.100 0.056 0.000 0.832 634 P CB 0.396 32.124 31.700 0.046 0.000 0.787 635 V N -0.453 119.484 119.914 0.038 0.000 2.490 635 V HA -0.178 3.934 4.120 -0.012 0.000 0.250 635 V C 2.450 178.548 176.094 0.006 0.000 1.061 635 V CA 1.567 63.874 62.300 0.012 0.000 1.064 635 V CB -1.033 30.785 31.823 -0.009 0.000 0.670 635 V HN -0.017 nan 8.190 nan 0.000 0.461 636 V N -0.320 119.613 119.914 0.032 0.000 2.453 636 V HA 0.105 4.217 4.120 -0.012 0.000 0.247 636 V C 1.786 177.890 176.094 0.017 0.000 1.048 636 V CA 1.384 63.701 62.300 0.029 0.000 1.049 636 V CB -1.169 30.715 31.823 0.102 0.000 0.672 636 V HN 0.739 nan 8.190 nan 0.000 0.457 637 G N 1.573 110.390 108.800 0.028 0.000 2.574 637 G HA2 -0.411 3.542 3.960 -0.012 0.000 0.286 637 G HA3 -0.411 3.542 3.960 -0.012 0.000 0.286 637 G C 0.270 175.183 174.900 0.022 0.000 1.212 637 G CA 0.621 45.736 45.100 0.025 0.000 0.979 637 G HN 0.730 nan 8.290 nan 0.000 0.557 638 D N -0.144 120.270 120.400 0.023 0.000 2.358 638 D HA 0.310 4.942 4.640 -0.012 0.000 0.224 638 D C 1.870 178.170 176.300 -0.000 0.000 1.123 638 D CA 0.253 54.269 54.000 0.026 0.000 0.833 638 D CB 0.106 40.939 40.800 0.054 0.000 0.946 638 D HN 0.575 nan 8.370 nan 0.000 0.505 639 R N -0.615 119.871 120.500 -0.023 0.000 2.193 639 R HA 0.266 4.599 4.340 -0.012 0.000 0.213 639 R C -0.176 176.082 176.300 -0.071 0.000 1.055 639 R CA 0.301 56.360 56.100 -0.068 0.000 0.995 639 R CB 0.164 30.401 30.300 -0.104 0.000 0.893 639 R HN 0.171 nan 8.270 nan 0.000 0.459 640 L N 0.660 121.859 121.223 -0.039 0.000 2.580 640 L HA 0.381 4.714 4.340 -0.012 0.000 0.266 640 L C -1.614 175.234 176.870 -0.036 0.000 0.955 640 L CA -0.526 54.289 54.840 -0.041 0.000 0.886 640 L CB 1.638 43.685 42.059 -0.021 0.000 1.263 640 L HN -0.130 nan 8.230 nan 0.000 0.406 641 R N 4.075 124.541 120.500 -0.057 0.000 2.621 641 R HA 0.751 5.083 4.340 -0.012 0.000 0.292 641 R C -1.494 174.752 176.300 -0.089 0.000 0.969 641 R CA -0.840 55.216 56.100 -0.074 0.000 0.887 641 R CB 2.407 32.664 30.300 -0.072 0.000 1.180 641 R HN 0.390 nan 8.270 nan 0.000 0.450 642 V N 4.984 124.841 119.914 -0.095 0.000 2.350 642 V HA 0.441 4.554 4.120 -0.012 0.000 0.285 642 V C -0.170 175.879 176.094 -0.075 0.000 1.014 642 V CA -0.602 61.643 62.300 -0.091 0.000 0.831 642 V CB 1.445 33.209 31.823 -0.099 0.000 1.000 642 V HN 0.570 nan 8.190 nan 0.000 0.433 643 I N 4.966 125.491 120.570 -0.076 0.000 2.433 643 I HA 0.448 4.610 4.170 -0.012 0.000 0.292 643 I C -0.742 175.354 176.117 -0.035 0.000 1.001 643 I CA -0.435 60.831 61.300 -0.056 0.000 1.119 643 I CB 1.935 39.878 38.000 -0.096 0.000 1.289 643 I HN 0.547 nan 8.210 nan 0.000 0.438 644 F N 7.663 127.547 119.950 -0.111 0.000 2.391 644 F HA 0.456 4.976 4.527 -0.012 0.000 0.359 644 F C -0.718 175.014 175.800 -0.114 0.000 1.122 644 F CA -0.708 57.227 58.000 -0.109 0.000 1.120 644 F CB 0.658 39.598 39.000 -0.100 0.000 1.142 644 F HN 0.137 nan 8.300 nan 0.000 0.483 645 L N 6.058 126.833 121.223 -0.746 0.000 2.342 645 L HA 0.173 4.506 4.340 -0.012 0.000 0.285 645 L C 0.340 176.886 176.870 -0.541 0.000 1.095 645 L CA 0.083 54.617 54.840 -0.509 0.000 0.843 645 L CB 0.009 41.866 42.059 -0.336 0.000 1.201 645 L HN 0.618 nan 8.230 nan 0.000 0.445 646 E N 3.088 123.113 120.200 -0.291 0.000 2.392 646 E HA -0.043 4.300 4.350 -0.012 0.000 0.264 646 E C 0.537 177.167 176.600 0.049 0.000 1.024 646 E CA -0.119 56.265 56.400 -0.026 0.000 0.903 646 E CB 0.288 29.971 29.700 -0.028 0.000 0.963 646 E HN 0.524 nan 8.360 nan 0.000 0.432 647 N N 2.465 121.266 118.700 0.168 0.000 2.725 647 N HA -0.285 4.447 4.740 -0.012 0.000 0.251 647 N C -1.490 174.104 175.510 0.141 0.000 1.031 647 N CA 0.524 53.675 53.050 0.167 0.000 0.720 647 N CB -1.467 37.142 38.487 0.204 0.000 0.930 647 N HN 0.448 nan 8.380 nan 0.000 0.543 648 Y N 1.487 121.782 120.300 -0.008 0.000 2.721 648 Y HA 0.130 4.673 4.550 -0.013 0.000 0.329 648 Y C 1.130 177.041 175.900 0.019 0.000 1.211 648 Y CA 0.541 58.626 58.100 -0.025 0.000 1.512 648 Y CB 0.279 38.693 38.460 -0.077 0.000 1.249 648 Y HN 0.360 nan 8.280 nan 0.000 0.549 649 R N 2.534 122.696 120.500 -0.563 0.000 2.762 649 R HA 0.463 4.795 4.340 -0.012 0.000 0.271 649 R C -0.265 175.705 176.300 -0.550 0.000 1.038 649 R CA -0.624 55.218 56.100 -0.430 0.000 0.906 649 R CB 0.362 30.606 30.300 -0.093 0.000 1.259 649 R HN 0.353 nan 8.270 nan 0.000 0.457 650 V N 1.109 120.727 119.914 -0.493 0.000 2.252 650 V HA -0.315 3.797 4.120 -0.012 0.000 0.249 650 V C 2.592 178.561 176.094 -0.208 0.000 1.056 650 V CA 2.945 65.019 62.300 -0.378 0.000 1.022 650 V CB -0.840 30.721 31.823 -0.437 0.000 0.641 650 V HN 0.948 nan 8.190 nan 0.000 0.445 651 S N -0.109 115.493 115.700 -0.164 0.000 2.399 651 S HA -0.174 4.289 4.470 -0.012 0.000 0.231 651 S C 1.909 176.462 174.600 -0.078 0.000 1.022 651 S CA 1.674 59.807 58.200 -0.112 0.000 0.983 651 S CB -0.488 62.675 63.200 -0.061 0.000 0.803 651 S HN 0.394 nan 8.310 nan 0.000 0.480 652 L N 1.994 123.175 121.223 -0.070 0.000 2.109 652 L HA 0.350 4.683 4.340 -0.012 0.000 0.207 652 L C 2.679 179.555 176.870 0.010 0.000 1.086 652 L CA 1.417 56.257 54.840 -0.000 0.000 0.760 652 L CB -1.399 40.712 42.059 0.087 0.000 0.910 652 L HN 0.338 nan 8.230 nan 0.000 0.437 653 A N -0.633 122.173 122.820 -0.023 0.000 1.940 653 A HA -0.246 4.066 4.320 -0.012 0.000 0.219 653 A C 2.123 179.754 177.584 0.079 0.000 1.176 653 A CA 1.870 53.964 52.037 0.095 0.000 0.631 653 A CB -0.651 18.391 19.000 0.070 0.000 0.814 653 A HN 0.604 nan 8.150 nan 0.000 0.446 654 E N -0.544 119.691 120.200 0.057 0.000 2.333 654 E HA -0.155 4.187 4.350 -0.012 0.000 0.198 654 E C 1.838 178.408 176.600 -0.050 0.000 1.007 654 E CA 1.120 57.521 56.400 0.002 0.000 0.845 654 E CB -0.032 29.583 29.700 -0.142 0.000 0.766 654 E HN 0.632 nan 8.360 nan 0.000 0.507 655 K N -0.140 120.213 120.400 -0.080 0.000 2.190 655 K HA -0.015 4.297 4.320 -0.012 0.000 0.202 655 K C 2.193 178.623 176.600 -0.284 0.000 1.045 655 K CA 0.886 57.115 56.287 -0.097 0.000 0.976 655 K CB 0.332 32.777 32.500 -0.092 0.000 0.849 655 K HN -0.003 nan 8.250 nan 0.000 0.468 656 V N 0.701 120.340 119.914 -0.457 0.000 2.379 656 V HA -0.156 3.957 4.120 -0.012 0.000 0.245 656 V C 2.192 178.024 176.094 -0.436 0.000 1.044 656 V CA 1.227 63.039 62.300 -0.812 0.000 1.036 656 V CB -0.763 30.706 31.823 -0.589 0.000 0.664 656 V HN 0.178 nan 8.190 nan 0.000 0.453 657 I N 0.982 121.337 120.570 -0.359 0.000 2.151 657 I HA -0.158 4.005 4.170 -0.012 0.000 0.243 657 I C -0.080 175.898 176.117 -0.230 0.000 1.080 657 I CA 1.934 62.943 61.300 -0.486 0.000 1.339 657 I CB -1.603 36.006 38.000 -0.653 0.000 1.039 657 I HN 0.369 nan 8.210 nan 0.000 0.409 658 P HA -0.087 nan 4.420 nan 0.000 0.225 658 P C 0.873 178.167 177.300 -0.010 0.000 1.148 658 P CA 1.160 64.231 63.100 -0.048 0.000 0.779 658 P CB 0.029 31.714 31.700 -0.025 0.000 0.780 659 A N -1.221 121.576 122.820 -0.038 0.000 2.308 659 A HA 0.512 4.825 4.320 -0.012 0.000 0.217 659 A C 1.153 178.843 177.584 0.178 0.000 1.216 659 A CA 0.060 52.136 52.037 0.065 0.000 0.864 659 A CB -0.579 18.463 19.000 0.071 0.000 0.902 659 A HN 0.200 nan 8.150 nan 0.000 0.499 660 A N -0.270 122.639 122.820 0.149 0.000 2.316 660 A HA 0.511 4.823 4.320 -0.012 0.000 0.284 660 A C 0.318 178.047 177.584 0.242 0.000 1.115 660 A CA -0.203 51.987 52.037 0.255 0.000 0.812 660 A CB 0.428 19.669 19.000 0.402 0.000 1.064 660 A HN 0.239 nan 8.150 nan 0.000 0.489 661 D N 0.192 120.733 120.400 0.235 0.000 2.525 661 D HA 0.137 4.770 4.640 -0.012 0.000 0.248 661 D C -0.013 176.482 176.300 0.325 0.000 1.000 661 D CA 0.668 54.852 54.000 0.306 0.000 0.923 661 D CB 0.286 41.189 40.800 0.173 0.000 1.101 661 D HN 0.350 nan 8.370 nan 0.000 0.493 662 L N 1.281 122.584 121.223 0.134 0.000 2.356 662 L HA 0.304 4.637 4.340 -0.012 0.000 0.277 662 L C -0.741 176.002 176.870 -0.212 0.000 0.996 662 L CA -0.295 54.544 54.840 -0.003 0.000 0.822 662 L CB 1.985 44.017 42.059 -0.046 0.000 1.256 662 L HN -0.152 nan 8.230 nan 0.000 0.413 663 S N 4.487 119.965 115.700 -0.369 0.000 2.429 663 S HA 0.330 4.793 4.470 -0.012 0.000 0.302 663 S C -0.381 173.925 174.600 -0.490 0.000 1.115 663 S CA -0.698 57.017 58.200 -0.809 0.000 1.095 663 S CB 0.757 63.351 63.200 -1.009 0.000 0.987 663 S HN 0.568 nan 8.310 nan 0.000 0.474 664 E N 4.199 124.133 120.200 -0.443 0.000 2.052 664 E HA 0.191 4.533 4.350 -0.012 0.000 0.283 664 E C -0.503 175.983 176.600 -0.190 0.000 1.071 664 E CA -0.364 55.905 56.400 -0.218 0.000 0.851 664 E CB 0.892 30.498 29.700 -0.157 0.000 1.066 664 E HN 0.617 nan 8.360 nan 0.000 0.396 665 Q N 2.861 122.603 119.800 -0.097 0.000 2.965 665 Q HA 0.260 4.593 4.340 -0.012 0.000 0.288 665 Q C 0.618 176.603 176.000 -0.026 0.000 0.974 665 Q CA -0.141 55.618 55.803 -0.073 0.000 0.849 665 Q CB 0.260 28.968 28.738 -0.050 0.000 1.280 665 Q HN 0.613 nan 8.270 nan 0.000 0.441 666 I N -1.472 119.071 120.570 -0.044 0.000 3.637 666 I HA 0.276 4.439 4.170 -0.012 0.000 0.342 666 I C 0.282 176.345 176.117 -0.089 0.000 1.545 666 I CA -0.617 60.664 61.300 -0.031 0.000 1.126 666 I CB 0.246 38.234 38.000 -0.019 0.000 1.375 666 I HN -0.017 nan 8.210 nan 0.000 0.467 667 S N 0.337 115.983 115.700 -0.091 0.000 2.593 667 S HA 0.245 4.708 4.470 -0.012 0.000 0.269 667 S C 0.542 175.120 174.600 -0.037 0.000 1.334 667 S CA -0.340 57.822 58.200 -0.063 0.000 1.015 667 S CB 0.618 63.821 63.200 0.005 0.000 0.912 667 S HN 0.397 nan 8.310 nan 0.000 0.541 668 T N 2.531 117.099 114.554 0.024 0.000 2.888 668 T HA 0.399 4.741 4.350 -0.012 0.000 0.301 668 T C 0.723 175.432 174.700 0.015 0.000 1.001 668 T CA 0.201 62.322 62.100 0.035 0.000 1.147 668 T CB 0.037 68.997 68.868 0.154 0.000 0.931 668 T HN 0.987 nan 8.240 nan 0.000 0.541 669 A N 2.778 125.575 122.820 -0.039 0.000 2.580 669 A HA 0.432 4.745 4.320 -0.012 0.000 0.244 669 A C 1.663 179.238 177.584 -0.016 0.000 1.045 669 A CA 0.358 52.368 52.037 -0.045 0.000 0.761 669 A CB -0.930 18.030 19.000 -0.066 0.000 0.962 669 A HN 1.690 nan 8.150 nan 0.000 0.512 670 G N 1.446 110.237 108.800 -0.015 0.000 2.175 670 G HA2 -0.263 3.690 3.960 -0.012 0.000 0.244 670 G HA3 -0.263 3.690 3.960 -0.012 0.000 0.244 670 G C 0.953 175.845 174.900 -0.013 0.000 0.982 670 G CA 1.158 46.252 45.100 -0.010 0.000 0.641 670 G HN 2.003 nan 8.290 nan 0.000 0.527 671 T N -2.322 112.228 114.554 -0.006 0.000 3.042 671 T HA 0.385 4.727 4.350 -0.012 0.000 0.245 671 T C 0.815 175.420 174.700 -0.158 0.000 1.029 671 T CA 1.152 63.203 62.100 -0.082 0.000 1.120 671 T CB 0.474 69.345 68.868 0.005 0.000 0.917 671 T HN 0.294 nan 8.240 nan 0.000 0.467 672 E N 1.436 121.646 120.200 0.016 0.000 2.001 672 E HA 0.659 5.001 4.350 -0.012 0.000 0.279 672 E C 1.173 177.739 176.600 -0.056 0.000 1.045 672 E CA 0.058 56.496 56.400 0.064 0.000 0.833 672 E CB 0.725 30.495 29.700 0.118 0.000 1.077 672 E HN 0.340 nan 8.360 nan 0.000 0.397 673 A N 3.430 126.145 122.820 -0.176 0.000 1.903 673 A HA -0.258 4.055 4.320 -0.012 0.000 0.219 673 A C 1.978 179.455 177.584 -0.178 0.000 1.191 673 A CA 2.452 54.261 52.037 -0.381 0.000 0.638 673 A CB -0.324 18.192 19.000 -0.807 0.000 0.823 673 A HN 0.621 nan 8.150 nan 0.000 0.451 674 S N -4.163 111.479 115.700 -0.096 0.000 4.193 674 S HA 0.455 4.918 4.470 -0.012 0.000 0.211 674 S C 0.706 175.294 174.600 -0.021 0.000 1.162 674 S CA 1.372 59.556 58.200 -0.027 0.000 1.039 674 S CB -0.129 63.075 63.200 0.008 0.000 1.371 674 S HN 2.356 nan 8.310 nan 0.000 0.550 675 G N 0.161 108.956 108.800 -0.009 0.000 2.705 675 G HA2 0.002 3.954 3.960 -0.012 0.000 0.686 675 G HA3 0.002 3.954 3.960 -0.012 0.000 0.686 675 G C 0.227 175.107 174.900 -0.032 0.000 1.285 675 G CA 0.449 45.540 45.100 -0.014 0.000 0.800 675 G HN 1.388 nan 8.290 nan 0.000 0.611 676 T N -2.375 112.147 114.554 -0.054 0.000 3.051 676 T HA 0.374 4.717 4.350 -0.012 0.000 0.254 676 T C 2.356 176.958 174.700 -0.164 0.000 0.916 676 T CA 1.252 63.291 62.100 -0.102 0.000 0.894 676 T CB 0.254 69.055 68.868 -0.111 0.000 1.251 676 T HN 1.906 nan 8.240 nan 0.000 0.517 677 G N 3.170 111.902 108.800 -0.114 0.000 2.442 677 G HA2 -0.268 3.685 3.960 -0.012 0.000 0.219 677 G HA3 -0.268 3.685 3.960 -0.012 0.000 0.219 677 G C 1.445 176.389 174.900 0.074 0.000 1.141 677 G CA 1.209 46.262 45.100 -0.079 0.000 0.763 677 G HN 0.827 nan 8.290 nan 0.000 0.554 678 N N 0.194 118.916 118.700 0.036 0.000 2.104 678 N HA -0.160 4.572 4.740 -0.012 0.000 0.190 678 N C 2.217 177.726 175.510 -0.002 0.000 1.024 678 N CA 1.420 54.492 53.050 0.037 0.000 0.853 678 N CB -0.374 38.090 38.487 -0.040 0.000 1.008 678 N HN 0.353 nan 8.380 nan 0.000 0.424 679 M N 0.726 120.259 119.600 -0.111 0.000 2.175 679 M HA -0.022 4.450 4.480 -0.012 0.000 0.264 679 M C 1.995 178.244 176.300 -0.085 0.000 1.063 679 M CA 1.408 56.625 55.300 -0.138 0.000 1.119 679 M CB -0.095 32.425 32.600 -0.133 0.000 1.377 679 M HN 0.106 nan 8.290 nan 0.000 0.415 680 K N 0.139 120.421 120.400 -0.196 0.000 2.057 680 K HA -0.110 4.203 4.320 -0.012 0.000 0.207 680 K C 1.692 178.179 176.600 -0.188 0.000 1.049 680 K CA 1.419 57.519 56.287 -0.310 0.000 0.931 680 K CB -0.277 31.811 32.500 -0.687 0.000 0.714 680 K HN 0.161 nan 8.250 nan 0.000 0.440 681 F N 1.000 120.873 119.950 -0.129 0.000 2.186 681 F HA -0.105 4.414 4.527 -0.013 0.000 0.299 681 F C 2.538 178.305 175.800 -0.056 0.000 1.090 681 F CA 1.108 59.057 58.000 -0.084 0.000 1.307 681 F CB -0.257 38.683 39.000 -0.099 0.000 1.019 681 F HN -0.003 nan 8.300 nan 0.000 0.489 682 M N -0.422 119.257 119.600 0.132 0.000 2.117 682 M HA -0.195 4.278 4.480 -0.012 0.000 0.262 682 M C 2.099 178.449 176.300 0.084 0.000 1.065 682 M CA 1.558 56.906 55.300 0.081 0.000 1.114 682 M CB -0.223 32.423 32.600 0.077 0.000 1.361 682 M HN 0.264 nan 8.290 nan 0.000 0.408 683 L N 0.717 121.989 121.223 0.082 0.000 2.275 683 L HA -0.080 4.253 4.340 -0.012 0.000 0.215 683 L C 1.280 178.192 176.870 0.070 0.000 1.119 683 L CA 1.578 56.472 54.840 0.090 0.000 0.790 683 L CB -0.562 41.560 42.059 0.105 0.000 0.919 683 L HN 0.342 nan 8.230 nan 0.000 0.443 684 N N -0.180 118.551 118.700 0.052 0.000 2.251 684 N HA 0.165 4.898 4.740 -0.012 0.000 0.217 684 N C 0.762 176.303 175.510 0.052 0.000 1.124 684 N CA 0.761 53.835 53.050 0.040 0.000 0.843 684 N CB 0.496 38.985 38.487 0.003 0.000 1.024 684 N HN 0.402 nan 8.380 nan 0.000 0.501 685 G N 0.648 109.483 108.800 0.058 0.000 2.171 685 G HA2 -0.193 3.760 3.960 -0.012 0.000 0.238 685 G HA3 -0.193 3.760 3.960 -0.012 0.000 0.238 685 G C -0.075 174.887 174.900 0.103 0.000 1.039 685 G CA 0.157 45.293 45.100 0.059 0.000 0.759 685 G HN 0.509 nan 8.290 nan 0.000 0.501 686 A N -0.606 122.281 122.820 0.111 0.000 2.340 686 A HA 0.901 5.214 4.320 -0.012 0.000 0.331 686 A C -0.226 177.353 177.584 -0.009 0.000 1.140 686 A CA -0.700 51.420 52.037 0.139 0.000 0.801 686 A CB 1.478 20.629 19.000 0.252 0.000 1.234 686 A HN 0.771 nan 8.150 nan 0.000 0.469 687 L N 0.777 121.957 121.223 -0.072 0.000 2.379 687 L HA 0.565 4.898 4.340 -0.012 0.000 0.269 687 L C 0.521 177.250 176.870 -0.236 0.000 1.084 687 L CA 0.466 55.160 54.840 -0.243 0.000 0.802 687 L CB 1.634 43.457 42.059 -0.393 0.000 1.175 687 L HN 0.741 nan 8.230 nan 0.000 0.448 688 T N 3.932 118.230 114.554 -0.426 0.000 2.771 688 T HA 0.522 4.864 4.350 -0.012 0.000 0.281 688 T C -0.295 174.301 174.700 -0.175 0.000 0.982 688 T CA -0.170 61.681 62.100 -0.416 0.000 0.978 688 T CB 0.906 69.361 68.868 -0.689 0.000 0.930 688 T HN 0.442 nan 8.240 nan 0.000 0.447 689 I N 2.983 123.528 120.570 -0.041 0.000 2.355 689 I HA 0.717 4.880 4.170 -0.012 0.000 0.288 689 I C 0.089 176.361 176.117 0.259 0.000 0.999 689 I CA 0.078 61.469 61.300 0.152 0.000 1.163 689 I CB 0.268 38.279 38.000 0.017 0.000 1.316 689 I HN 0.788 nan 8.210 nan 0.000 0.454 690 G N 3.987 113.014 108.800 0.378 0.000 2.600 690 G HA2 0.469 4.422 3.960 -0.012 0.000 0.293 690 G HA3 0.469 4.422 3.960 -0.012 0.000 0.293 690 G C -0.937 173.892 174.900 -0.119 0.000 1.408 690 G CA -0.308 44.925 45.100 0.221 0.000 0.782 690 G HN 0.567 nan 8.290 nan 0.000 0.482 691 T N -1.725 112.638 114.554 -0.320 0.000 2.881 691 T HA 0.543 4.885 4.350 -0.012 0.000 0.278 691 T C 0.644 175.221 174.700 -0.206 0.000 0.982 691 T CA -0.710 61.118 62.100 -0.454 0.000 0.989 691 T CB 1.254 69.857 68.868 -0.441 0.000 1.058 691 T HN 0.253 nan 8.240 nan 0.000 0.529 692 M N 2.818 122.306 119.600 -0.186 0.000 3.436 692 M HA 0.326 4.798 4.480 -0.012 0.000 0.240 692 M C -0.495 175.746 176.300 -0.100 0.000 1.469 692 M CA -0.075 55.150 55.300 -0.125 0.000 1.622 692 M CB -1.724 30.812 32.600 -0.107 0.000 1.098 692 M HN 0.734 nan 8.290 nan 0.000 0.568 693 D N -0.120 120.227 120.400 -0.088 0.000 2.601 693 D HA 0.677 5.309 4.640 -0.012 0.000 0.230 693 D C 0.763 177.036 176.300 -0.045 0.000 1.106 693 D CA 0.690 54.654 54.000 -0.059 0.000 0.873 693 D CB 1.728 42.495 40.800 -0.054 0.000 1.515 693 D HN 0.587 nan 8.370 nan 0.000 0.468 694 G N 1.670 110.455 108.800 -0.024 0.000 2.627 694 G HA2 -0.279 3.674 3.960 -0.012 0.000 0.312 694 G HA3 -0.279 3.674 3.960 -0.012 0.000 0.312 694 G C 1.086 175.975 174.900 -0.020 0.000 1.299 694 G CA 1.268 46.359 45.100 -0.015 0.000 0.989 694 G HN 1.057 nan 8.290 nan 0.000 0.547 695 A N -0.442 122.360 122.820 -0.030 0.000 2.119 695 A HA 0.048 4.361 4.320 -0.012 0.000 0.217 695 A C 2.146 179.656 177.584 -0.123 0.000 1.153 695 A CA 1.970 53.979 52.037 -0.047 0.000 0.692 695 A CB -0.483 18.469 19.000 -0.080 0.000 0.799 695 A HN 0.641 nan 8.150 nan 0.000 0.458 696 N N 0.532 119.166 118.700 -0.110 0.000 2.094 696 N HA -0.163 4.570 4.740 -0.012 0.000 0.191 696 N C 1.595 176.955 175.510 -0.249 0.000 1.023 696 N CA 1.645 54.616 53.050 -0.132 0.000 0.857 696 N CB -0.670 37.787 38.487 -0.051 0.000 1.013 696 N HN 0.284 nan 8.380 nan 0.000 0.426 697 V N 1.211 121.028 119.914 -0.161 0.000 2.287 697 V HA -0.222 3.891 4.120 -0.012 0.000 0.248 697 V C 2.000 178.009 176.094 -0.141 0.000 1.053 697 V CA 1.715 63.921 62.300 -0.157 0.000 1.027 697 V CB -0.495 31.276 31.823 -0.086 0.000 0.646 697 V HN 0.362 nan 8.190 nan 0.000 0.447 698 E N -0.702 119.472 120.200 -0.044 0.000 2.152 698 E HA -0.149 4.193 4.350 -0.012 0.000 0.192 698 E C 2.205 178.905 176.600 0.167 0.000 0.983 698 E CA 1.090 57.544 56.400 0.090 0.000 0.818 698 E CB -0.166 29.677 29.700 0.238 0.000 0.758 698 E HN 0.552 nan 8.360 nan 0.000 0.467 699 M N 0.233 119.810 119.600 -0.038 0.000 2.099 699 M HA -0.111 4.362 4.480 -0.012 0.000 0.262 699 M C 2.451 178.538 176.300 -0.355 0.000 1.067 699 M CA 1.449 56.687 55.300 -0.105 0.000 1.124 699 M CB -0.102 32.339 32.600 -0.266 0.000 1.353 699 M HN 0.125 nan 8.290 nan 0.000 0.410 700 A N -0.053 122.236 122.820 -0.886 0.000 1.930 700 A HA -0.210 4.102 4.320 -0.012 0.000 0.217 700 A C 1.975 179.368 177.584 -0.319 0.000 1.175 700 A CA 1.910 53.383 52.037 -0.939 0.000 0.627 700 A CB -0.791 17.663 19.000 -0.910 0.000 0.815 700 A HN 0.591 nan 8.150 nan 0.000 0.443 701 E N -0.387 119.690 120.200 -0.206 0.000 2.110 701 E HA -0.208 4.135 4.350 -0.012 0.000 0.193 701 E C 1.693 178.271 176.600 -0.037 0.000 0.988 701 E CA 1.243 57.588 56.400 -0.092 0.000 0.804 701 E CB -0.053 29.610 29.700 -0.061 0.000 0.745 701 E HN 0.556 nan 8.360 nan 0.000 0.458 702 E N -0.016 120.190 120.200 0.011 0.000 2.076 702 E HA -0.077 4.266 4.350 -0.012 0.000 0.190 702 E C 1.810 178.444 176.600 0.058 0.000 0.979 702 E CA 1.046 57.476 56.400 0.049 0.000 0.807 702 E CB -0.014 29.765 29.700 0.132 0.000 0.761 702 E HN 0.365 nan 8.360 nan 0.000 0.454 703 A N 0.391 123.259 122.820 0.080 0.000 2.081 703 A HA 0.361 4.673 4.320 -0.012 0.000 0.214 703 A C 1.014 178.632 177.584 0.057 0.000 1.158 703 A CA 1.026 53.126 52.037 0.104 0.000 0.724 703 A CB 0.131 19.262 19.000 0.219 0.000 0.826 703 A HN 0.227 nan 8.150 nan 0.000 0.463 704 G N -0.488 108.321 108.800 0.015 0.000 3.225 704 G HA2 -0.081 3.871 3.960 -0.012 0.000 0.686 704 G HA3 -0.081 3.871 3.960 -0.012 0.000 0.686 704 G C -0.078 174.819 174.900 -0.004 0.000 1.105 704 G CA -0.010 45.086 45.100 -0.007 0.000 0.831 704 G HN 0.234 nan 8.290 nan 0.000 0.578 705 E N 0.748 120.926 120.200 -0.036 0.000 2.267 705 E HA -0.146 4.197 4.350 -0.012 0.000 0.197 705 E C 2.000 178.589 176.600 -0.019 0.000 0.998 705 E CA 1.691 58.075 56.400 -0.027 0.000 0.830 705 E CB 0.096 29.770 29.700 -0.043 0.000 0.751 705 E HN 0.780 nan 8.360 nan 0.000 0.491 706 E N 0.433 120.609 120.200 -0.041 0.000 2.347 706 E HA -0.065 4.277 4.350 -0.012 0.000 0.196 706 E C 0.903 177.415 176.600 -0.146 0.000 1.008 706 E CA 0.588 56.938 56.400 -0.084 0.000 0.852 706 E CB 0.080 29.743 29.700 -0.061 0.000 0.783 706 E HN 0.147 nan 8.360 nan 0.000 0.505 707 N N -0.271 118.378 118.700 -0.084 0.000 2.251 707 N HA 0.147 4.879 4.740 -0.012 0.000 0.217 707 N C -0.960 174.473 175.510 -0.130 0.000 1.124 707 N CA 0.087 53.059 53.050 -0.131 0.000 0.843 707 N CB 0.440 38.904 38.487 -0.038 0.000 1.024 707 N HN 0.045 nan 8.380 nan 0.000 0.501 708 F N -0.358 119.399 119.950 -0.322 0.000 2.576 708 F HA 0.412 4.931 4.527 -0.013 0.000 0.313 708 F C -0.746 174.858 175.800 -0.326 0.000 1.078 708 F CA -1.044 56.812 58.000 -0.239 0.000 0.921 708 F CB 1.414 40.350 39.000 -0.106 0.000 1.232 708 F HN -0.215 nan 8.300 nan 0.000 0.459 709 F N 5.128 125.106 119.950 0.046 0.000 2.359 709 F HA 0.431 4.950 4.527 -0.012 0.000 0.355 709 F C -0.346 175.594 175.800 0.233 0.000 1.132 709 F CA -0.450 57.606 58.000 0.094 0.000 1.246 709 F CB 0.015 39.017 39.000 0.002 0.000 1.569 709 F HN 0.059 nan 8.300 nan 0.000 0.561 710 I N 3.692 124.467 120.570 0.342 0.000 2.440 710 I HA 0.438 4.600 4.170 -0.012 0.000 0.294 710 I C -0.144 176.153 176.117 0.300 0.000 0.995 710 I CA -0.466 60.993 61.300 0.264 0.000 1.306 710 I CB 0.763 38.834 38.000 0.119 0.000 1.407 710 I HN 0.373 nan 8.210 nan 0.000 0.501 711 F N 2.823 122.836 119.950 0.106 0.000 2.779 711 F HA 0.902 5.421 4.527 -0.013 0.000 0.316 711 F C 0.044 175.882 175.800 0.063 0.000 1.164 711 F CA -0.598 57.455 58.000 0.088 0.000 0.924 711 F CB 0.690 39.758 39.000 0.113 0.000 1.348 711 F HN 0.861 nan 8.300 nan 0.000 0.467 712 G N 0.968 109.835 108.800 0.112 0.000 2.828 712 G HA2 -0.107 3.846 3.960 -0.012 0.000 0.463 712 G HA3 -0.107 3.846 3.960 -0.012 0.000 0.463 712 G C -0.758 174.109 174.900 -0.055 0.000 1.394 712 G CA -0.491 44.603 45.100 -0.010 0.000 0.862 712 G HN 0.962 nan 8.290 nan 0.000 0.540 713 M N 0.601 120.183 119.600 -0.030 0.000 2.250 713 M HA 0.302 4.774 4.480 -0.012 0.000 0.325 713 M C 1.173 177.436 176.300 -0.062 0.000 1.084 713 M CA 0.081 55.368 55.300 -0.020 0.000 1.161 713 M CB 0.303 32.901 32.600 -0.003 0.000 1.481 713 M HN 0.551 nan 8.290 nan 0.000 0.449 714 R N 1.116 121.592 120.500 -0.039 0.000 2.606 714 R HA 0.348 4.681 4.340 -0.012 0.000 0.249 714 R C 1.194 177.472 176.300 -0.037 0.000 1.127 714 R CA -0.746 55.325 56.100 -0.049 0.000 1.133 714 R CB -0.074 30.204 30.300 -0.036 0.000 1.243 714 R HN 0.567 nan 8.270 nan 0.000 0.558 715 V N 1.797 121.689 119.914 -0.038 0.000 2.324 715 V HA -0.266 3.847 4.120 -0.012 0.000 0.250 715 V C 2.051 178.132 176.094 -0.022 0.000 1.060 715 V CA 2.015 64.297 62.300 -0.031 0.000 1.042 715 V CB -0.394 31.409 31.823 -0.032 0.000 0.650 715 V HN 0.597 nan 8.190 nan 0.000 0.450 716 E N -0.083 120.106 120.200 -0.018 0.000 2.077 716 E HA -0.223 4.120 4.350 -0.012 0.000 0.193 716 E C 1.893 178.494 176.600 0.002 0.000 0.989 716 E CA 1.442 57.837 56.400 -0.009 0.000 0.800 716 E CB -0.666 29.030 29.700 -0.007 0.000 0.746 716 E HN 0.648 nan 8.360 nan 0.000 0.452 717 D N 0.940 121.344 120.400 0.005 0.000 2.117 717 D HA -0.099 4.534 4.640 -0.012 0.000 0.197 717 D C 2.186 178.499 176.300 0.023 0.000 0.987 717 D CA 0.938 54.952 54.000 0.022 0.000 0.829 717 D CB -0.032 40.784 40.800 0.027 0.000 0.961 717 D HN 0.043 nan 8.370 nan 0.000 0.460 718 V N 1.894 121.809 119.914 0.002 0.000 2.295 718 V HA -0.221 3.891 4.120 -0.012 0.000 0.246 718 V C 2.003 178.095 176.094 -0.003 0.000 1.049 718 V CA 1.741 64.034 62.300 -0.011 0.000 1.024 718 V CB -0.432 31.373 31.823 -0.029 0.000 0.648 718 V HN 0.027 nan 8.190 nan 0.000 0.447 719 D N -0.299 120.099 120.400 -0.003 0.000 2.117 719 D HA -0.159 4.473 4.640 -0.012 0.000 0.197 719 D C 2.361 178.671 176.300 0.016 0.000 0.987 719 D CA 1.243 55.243 54.000 0.000 0.000 0.829 719 D CB -0.270 40.527 40.800 -0.006 0.000 0.961 719 D HN 0.299 nan 8.370 nan 0.000 0.460 720 R N 0.154 120.668 120.500 0.024 0.000 2.083 720 R HA -0.063 4.270 4.340 -0.012 0.000 0.237 720 R C 2.490 178.823 176.300 0.056 0.000 1.137 720 R CA 0.707 56.829 56.100 0.037 0.000 0.951 720 R CB -0.468 29.856 30.300 0.040 0.000 0.851 720 R HN 0.181 nan 8.270 nan 0.000 0.434 721 L N 0.559 121.826 121.223 0.072 0.000 2.079 721 L HA -0.242 4.090 4.340 -0.012 0.000 0.210 721 L C 1.443 178.379 176.870 0.109 0.000 1.081 721 L CA 1.431 56.341 54.840 0.117 0.000 0.752 721 L CB -0.300 41.843 42.059 0.140 0.000 0.896 721 L HN 0.312 nan 8.230 nan 0.000 0.433 722 D N -0.946 119.493 120.400 0.064 0.000 2.149 722 D HA -0.156 4.477 4.640 -0.012 0.000 0.201 722 D C 2.292 178.621 176.300 0.050 0.000 0.972 722 D CA 0.781 54.813 54.000 0.053 0.000 0.835 722 D CB 0.039 40.849 40.800 0.016 0.000 0.966 722 D HN 0.392 nan 8.370 nan 0.000 0.476 723 Q N 0.543 120.367 119.800 0.041 0.000 2.050 723 Q HA -0.111 4.222 4.340 -0.012 0.000 0.202 723 Q C 2.271 178.297 176.000 0.043 0.000 0.980 723 Q CA 0.806 56.629 55.803 0.034 0.000 0.840 723 Q CB -0.351 28.404 28.738 0.028 0.000 0.898 723 Q HN 0.302 nan 8.270 nan 0.000 0.424 724 R N 0.231 120.764 120.500 0.055 0.000 2.073 724 R HA -0.052 4.280 4.340 -0.012 0.000 0.234 724 R C 0.244 176.583 176.300 0.067 0.000 1.134 724 R CA 1.267 57.403 56.100 0.059 0.000 0.952 724 R CB -0.103 30.241 30.300 0.073 0.000 0.850 724 R HN 0.408 nan 8.270 nan 0.000 0.433 725 G N -0.357 108.499 108.800 0.094 0.000 3.363 725 G HA2 -0.218 3.735 3.960 -0.012 0.000 0.685 725 G HA3 -0.218 3.735 3.960 -0.012 0.000 0.685 725 G C -1.381 173.616 174.900 0.161 0.000 1.199 725 G CA -0.523 44.640 45.100 0.106 0.000 0.946 725 G HN 0.301 nan 8.290 nan 0.000 0.558 726 Y N 3.793 124.129 120.300 0.060 0.000 2.436 726 Y HA 0.554 5.097 4.550 -0.012 0.000 0.336 726 Y C 0.397 176.358 175.900 0.102 0.000 1.049 726 Y CA -0.708 57.448 58.100 0.094 0.000 1.294 726 Y CB 0.907 39.404 38.460 0.061 0.000 1.179 726 Y HN 0.560 nan 8.280 nan 0.000 0.520 727 N N 5.232 123.698 118.700 -0.389 0.000 2.569 727 N HA 0.282 5.015 4.740 -0.012 0.000 0.254 727 N C 0.113 175.382 175.510 -0.402 0.000 1.004 727 N CA 0.277 53.124 53.050 -0.338 0.000 0.904 727 N CB 1.496 39.911 38.487 -0.120 0.000 1.165 727 N HN 0.884 nan 8.380 nan 0.000 0.513 728 A N 2.976 125.483 122.820 -0.521 0.000 1.972 728 A HA -0.215 4.097 4.320 -0.012 0.000 0.219 728 A C 1.951 179.685 177.584 0.250 0.000 1.169 728 A CA 1.388 53.383 52.037 -0.069 0.000 0.635 728 A CB -0.324 18.588 19.000 -0.147 0.000 0.810 728 A HN 0.759 nan 8.150 nan 0.000 0.446 729 Q N 0.186 120.021 119.800 0.059 0.000 2.152 729 Q HA -0.236 4.096 4.340 -0.012 0.000 0.206 729 Q C 1.888 177.963 176.000 0.125 0.000 0.985 729 Q CA 2.278 58.131 55.803 0.083 0.000 0.863 729 Q CB -0.336 28.405 28.738 0.005 0.000 0.904 729 Q HN 0.767 nan 8.270 nan 0.000 0.422 730 E N -1.286 118.926 120.200 0.020 0.000 2.049 730 E HA -0.245 4.097 4.350 -0.012 0.000 0.198 730 E C 1.681 178.212 176.600 -0.115 0.000 1.007 730 E CA 1.630 57.967 56.400 -0.105 0.000 0.809 730 E CB -0.238 29.294 29.700 -0.280 0.000 0.749 730 E HN 0.573 nan 8.360 nan 0.000 0.450 731 Y N -1.128 119.223 120.300 0.083 0.000 2.224 731 Y HA -0.230 4.313 4.550 -0.012 0.000 0.289 731 Y C 2.188 178.055 175.900 -0.054 0.000 1.146 731 Y CA 1.542 59.672 58.100 0.050 0.000 1.182 731 Y CB -0.616 37.923 38.460 0.132 0.000 0.983 731 Y HN 0.271 nan 8.280 nan 0.000 0.524 732 Y N 1.143 121.444 120.300 0.002 0.000 2.181 732 Y HA -0.246 4.296 4.550 -0.012 0.000 0.288 732 Y C 1.873 177.724 175.900 -0.080 0.000 1.146 732 Y CA 1.754 59.781 58.100 -0.122 0.000 1.164 732 Y CB -0.323 38.118 38.460 -0.032 0.000 0.982 732 Y HN 0.061 nan 8.280 nan 0.000 0.515 733 D N -0.172 120.296 120.400 0.113 0.000 2.144 733 D HA -0.115 4.518 4.640 -0.012 0.000 0.200 733 D C 1.887 178.148 176.300 -0.065 0.000 0.978 733 D CA 1.255 55.272 54.000 0.028 0.000 0.833 733 D CB -0.123 40.715 40.800 0.064 0.000 0.961 733 D HN 0.475 nan 8.370 nan 0.000 0.470 734 R N -0.014 120.449 120.500 -0.062 0.000 2.300 734 R HA 0.225 4.557 4.340 -0.012 0.000 0.199 734 R C 0.404 176.672 176.300 -0.053 0.000 0.920 734 R CA 0.131 56.197 56.100 -0.056 0.000 1.046 734 R CB 0.764 31.034 30.300 -0.051 0.000 0.984 734 R HN 0.180 nan 8.270 nan 0.000 0.493 735 I N 2.272 122.788 120.570 -0.091 0.000 2.437 735 I HA 0.213 4.376 4.170 -0.012 0.000 0.279 735 I C -1.882 174.133 176.117 -0.171 0.000 1.028 735 I CA -2.430 58.824 61.300 -0.077 0.000 1.142 735 I CB 2.294 40.285 38.000 -0.014 0.000 1.266 735 I HN -0.276 nan 8.210 nan 0.000 0.461 736 P HA -0.172 nan 4.420 nan 0.000 0.215 736 P C 1.206 178.411 177.300 -0.157 0.000 1.157 736 P CA 1.394 64.400 63.100 -0.157 0.000 0.868 736 P CB 0.287 31.929 31.700 -0.097 0.000 0.788 737 E N -0.907 119.241 120.200 -0.086 0.000 2.085 737 E HA -0.189 4.154 4.350 -0.012 0.000 0.194 737 E C 1.907 178.421 176.600 -0.143 0.000 0.994 737 E CA 0.892 57.262 56.400 -0.050 0.000 0.801 737 E CB -0.674 29.071 29.700 0.074 0.000 0.743 737 E HN 0.119 nan 8.360 nan 0.000 0.453 738 L N 1.361 122.418 121.223 -0.278 0.000 2.056 738 L HA -0.138 4.195 4.340 -0.012 0.000 0.207 738 L C 2.414 179.015 176.870 -0.447 0.000 1.078 738 L CA 1.656 56.161 54.840 -0.560 0.000 0.749 738 L CB -0.403 41.185 42.059 -0.784 0.000 0.901 738 L HN -0.076 nan 8.230 nan 0.000 0.433 739 R N -0.763 119.442 120.500 -0.492 0.000 2.091 739 R HA -0.247 4.085 4.340 -0.012 0.000 0.238 739 R C 2.390 178.524 176.300 -0.277 0.000 1.136 739 R CA 1.997 57.718 56.100 -0.632 0.000 0.959 739 R CB -0.409 29.430 30.300 -0.768 0.000 0.856 739 R HN 0.638 nan 8.270 nan 0.000 0.437 740 Q N 0.420 120.095 119.800 -0.208 0.000 2.135 740 Q HA -0.180 4.153 4.340 -0.012 0.000 0.204 740 Q C 2.035 177.988 176.000 -0.078 0.000 0.981 740 Q CA 1.850 57.578 55.803 -0.125 0.000 0.856 740 Q CB -0.081 28.586 28.738 -0.119 0.000 0.902 740 Q HN 0.508 nan 8.270 nan 0.000 0.425 741 I N 0.071 120.594 120.570 -0.078 0.000 2.202 741 I HA -0.267 3.895 4.170 -0.012 0.000 0.242 741 I C 2.076 178.223 176.117 0.051 0.000 1.091 741 I CA 0.758 62.054 61.300 -0.006 0.000 1.368 741 I CB -0.157 37.816 38.000 -0.045 0.000 1.058 741 I HN 0.222 nan 8.210 nan 0.000 0.410 742 I N 0.739 121.337 120.570 0.047 0.000 2.361 742 I HA -0.260 3.902 4.170 -0.012 0.000 0.251 742 I C 2.367 178.585 176.117 0.169 0.000 1.133 742 I CA 1.568 62.960 61.300 0.154 0.000 1.413 742 I CB -0.359 37.816 38.000 0.291 0.000 1.073 742 I HN 0.203 nan 8.210 nan 0.000 0.424 743 E N -0.404 119.876 120.200 0.134 0.000 2.216 743 E HA -0.195 4.148 4.350 -0.012 0.000 0.192 743 E C 2.081 178.746 176.600 0.108 0.000 0.988 743 E CA 0.548 57.020 56.400 0.121 0.000 0.834 743 E CB -0.080 29.670 29.700 0.084 0.000 0.772 743 E HN 0.588 nan 8.360 nan 0.000 0.479 744 Q N 0.580 120.434 119.800 0.091 0.000 2.079 744 Q HA -0.077 4.256 4.340 -0.012 0.000 0.200 744 Q C 2.298 178.481 176.000 0.306 0.000 0.974 744 Q CA 0.879 56.749 55.803 0.112 0.000 0.840 744 Q CB 0.095 28.838 28.738 0.009 0.000 0.898 744 Q HN 0.273 nan 8.270 nan 0.000 0.430 745 L N -0.351 121.060 121.223 0.314 0.000 2.027 745 L HA -0.175 4.158 4.340 -0.012 0.000 0.206 745 L C 2.425 179.472 176.870 0.296 0.000 1.074 745 L CA 0.928 55.967 54.840 0.333 0.000 0.745 745 L CB -0.384 41.790 42.059 0.191 0.000 0.898 745 L HN 0.142 nan 8.230 nan 0.000 0.433 746 S N -0.303 115.528 115.700 0.219 0.000 2.382 746 S HA -0.152 4.310 4.470 -0.012 0.000 0.228 746 S C 2.032 176.731 174.600 0.165 0.000 1.027 746 S CA 1.591 59.899 58.200 0.179 0.000 0.991 746 S CB -0.171 63.115 63.200 0.142 0.000 0.823 746 S HN 0.606 nan 8.310 nan 0.000 0.469 747 S N -0.021 115.780 115.700 0.169 0.000 2.558 747 S HA 0.361 4.824 4.470 -0.012 0.000 0.217 747 S C 1.342 176.035 174.600 0.155 0.000 0.975 747 S CA 0.701 58.987 58.200 0.143 0.000 0.912 747 S CB 0.183 63.458 63.200 0.125 0.000 0.776 747 S HN 0.747 nan 8.310 nan 0.000 0.526 748 G N 0.775 109.699 108.800 0.206 0.000 2.131 748 G HA2 -0.298 3.654 3.960 -0.012 0.000 0.223 748 G HA3 -0.298 3.654 3.960 -0.012 0.000 0.223 748 G C 0.226 175.218 174.900 0.153 0.000 0.990 748 G CA 0.143 45.352 45.100 0.183 0.000 0.671 748 G HN 0.567 nan 8.290 nan 0.000 0.521 749 F N 0.393 120.354 119.950 0.019 0.000 2.161 749 F HA 0.185 4.704 4.527 -0.013 0.000 0.300 749 F C 1.831 177.456 175.800 -0.291 0.000 1.089 749 F CA 1.972 59.870 58.000 -0.170 0.000 1.282 749 F CB -0.081 38.745 39.000 -0.290 0.000 1.010 749 F HN 0.158 nan 8.300 nan 0.000 0.485 750 F N -0.275 119.743 119.950 0.115 0.000 2.695 750 F HA 0.209 4.729 4.527 -0.012 0.000 0.303 750 F C 0.680 176.550 175.800 0.118 0.000 1.091 750 F CA 0.291 58.311 58.000 0.033 0.000 1.300 750 F CB -0.091 38.959 39.000 0.083 0.000 1.071 750 F HN -0.019 nan 8.300 nan 0.000 0.578 751 S N -1.726 114.115 115.700 0.236 0.000 2.440 751 S HA 0.317 4.780 4.470 -0.012 0.000 0.142 751 S C -2.444 172.186 174.600 0.050 0.000 1.578 751 S CA -1.085 57.200 58.200 0.140 0.000 1.260 751 S CB 0.939 64.205 63.200 0.110 0.000 1.407 751 S HN -0.188 nan 8.310 nan 0.000 0.392 752 P HA -0.151 nan 4.420 nan 0.000 0.214 752 P C 1.207 178.505 177.300 -0.004 0.000 1.163 752 P CA 1.522 64.609 63.100 -0.022 0.000 0.889 752 P CB 0.071 31.735 31.700 -0.059 0.000 0.790 753 K N -0.968 119.430 120.400 -0.004 0.000 2.148 753 K HA -0.092 4.220 4.320 -0.012 0.000 0.204 753 K C 0.669 177.271 176.600 0.005 0.000 1.050 753 K CA 1.036 57.323 56.287 0.000 0.000 0.942 753 K CB -0.233 32.268 32.500 0.002 0.000 0.724 753 K HN 0.342 nan 8.250 nan 0.000 0.446 754 Q N -0.319 119.482 119.800 0.003 0.000 2.907 754 Q HA 0.160 4.492 4.340 -0.012 0.000 0.262 754 Q C -2.347 173.653 176.000 0.000 0.000 0.997 754 Q CA -1.598 54.202 55.803 -0.004 0.000 0.797 754 Q CB 1.534 30.260 28.738 -0.019 0.000 1.228 754 Q HN -0.091 nan 8.270 nan 0.000 0.466 755 P HA -0.246 nan 4.420 nan 0.000 0.217 755 P C 0.622 177.966 177.300 0.074 0.000 1.148 755 P CA 1.503 64.639 63.100 0.060 0.000 0.834 755 P CB 0.216 31.949 31.700 0.055 0.000 0.783 756 D N -1.273 119.153 120.400 0.043 0.000 2.368 756 D HA -0.009 4.623 4.640 -0.012 0.000 0.218 756 D C 1.611 177.919 176.300 0.013 0.000 1.112 756 D CA -0.241 53.791 54.000 0.053 0.000 0.834 756 D CB -0.510 40.319 40.800 0.049 0.000 0.953 756 D HN 0.019 nan 8.370 nan 0.000 0.505 757 L N 0.169 121.341 121.223 -0.085 0.000 2.051 757 L HA -0.126 4.206 4.340 -0.012 0.000 0.214 757 L C 0.941 177.600 176.870 -0.351 0.000 1.076 757 L CA 1.680 56.351 54.840 -0.282 0.000 0.758 757 L CB -0.627 41.092 42.059 -0.566 0.000 0.890 757 L HN -0.061 nan 8.230 nan 0.000 0.433 758 F N -0.344 119.662 119.950 0.093 0.000 2.730 758 F HA 0.187 4.707 4.527 -0.012 0.000 0.295 758 F C 1.778 177.631 175.800 0.087 0.000 1.143 758 F CA -0.025 58.021 58.000 0.076 0.000 1.367 758 F CB -0.724 38.309 39.000 0.054 0.000 0.970 758 F HN 0.160 nan 8.300 nan 0.000 0.514 759 K N -0.734 119.786 120.400 0.200 0.000 2.147 759 K HA -0.147 4.166 4.320 -0.012 0.000 0.205 759 K C 1.029 177.733 176.600 0.174 0.000 1.049 759 K CA 1.834 58.221 56.287 0.167 0.000 0.936 759 K CB -0.201 32.374 32.500 0.124 0.000 0.722 759 K HN 0.026 nan 8.250 nan 0.000 0.446 760 D N 1.294 121.809 120.400 0.192 0.000 2.117 760 D HA -0.077 4.556 4.640 -0.012 0.000 0.198 760 D C 2.020 178.435 176.300 0.191 0.000 0.982 760 D CA 1.095 55.220 54.000 0.208 0.000 0.828 760 D CB -0.107 40.851 40.800 0.264 0.000 0.967 760 D HN 0.289 nan 8.370 nan 0.000 0.464 761 I N 0.408 121.090 120.570 0.185 0.000 2.202 761 I HA -0.212 3.950 4.170 -0.012 0.000 0.242 761 I C 2.431 178.602 176.117 0.090 0.000 1.091 761 I CA 0.584 61.961 61.300 0.128 0.000 1.368 761 I CB -0.146 37.923 38.000 0.115 0.000 1.058 761 I HN -0.121 nan 8.210 nan 0.000 0.410 762 V N 0.944 120.927 119.914 0.114 0.000 2.295 762 V HA -0.323 3.790 4.120 -0.012 0.000 0.246 762 V C 2.159 178.261 176.094 0.012 0.000 1.049 762 V CA 2.497 64.844 62.300 0.080 0.000 1.024 762 V CB -0.989 30.903 31.823 0.115 0.000 0.648 762 V HN 0.505 nan 8.190 nan 0.000 0.447 763 N N -0.511 118.230 118.700 0.069 0.000 2.069 763 N HA -0.247 4.486 4.740 -0.012 0.000 0.191 763 N C 1.989 177.460 175.510 -0.065 0.000 1.031 763 N CA 1.712 54.812 53.050 0.082 0.000 0.852 763 N CB -0.159 38.451 38.487 0.206 0.000 1.018 763 N HN 0.343 nan 8.380 nan 0.000 0.423 764 M N 0.322 119.946 119.600 0.040 0.000 2.067 764 M HA -0.128 4.344 4.480 -0.012 0.000 0.260 764 M C 1.638 177.855 176.300 -0.138 0.000 1.069 764 M CA 1.331 56.664 55.300 0.055 0.000 1.117 764 M CB -0.689 32.022 32.600 0.184 0.000 1.334 764 M HN 0.238 nan 8.290 nan 0.000 0.407 765 L N 0.871 121.994 121.223 -0.168 0.000 2.043 765 L HA -0.234 4.098 4.340 -0.012 0.000 0.212 765 L C 2.464 179.011 176.870 -0.538 0.000 1.075 765 L CA 1.732 56.346 54.840 -0.377 0.000 0.752 765 L CB -1.176 40.692 42.059 -0.319 0.000 0.891 765 L HN 0.383 nan 8.230 nan 0.000 0.432 766 M N -2.082 117.244 119.600 -0.457 0.000 2.334 766 M HA -0.060 4.413 4.480 -0.012 0.000 0.266 766 M C 1.831 177.672 176.300 -0.766 0.000 1.082 766 M CA 1.278 56.218 55.300 -0.601 0.000 1.141 766 M CB -0.718 31.412 32.600 -0.783 0.000 1.380 766 M HN 0.341 nan 8.290 nan 0.000 0.440 767 H N -1.848 117.008 119.070 -0.357 0.000 2.927 767 H HA 0.209 4.758 4.556 -0.012 0.000 0.255 767 H C 0.140 175.229 175.328 -0.398 0.000 0.974 767 H CA 0.613 56.400 56.048 -0.434 0.000 1.199 767 H CB 0.226 29.659 29.762 -0.548 0.000 1.447 767 H HN 0.545 nan 8.280 nan 0.000 0.467 768 H N -0.239 118.890 119.070 0.098 0.000 2.716 768 H HA 0.215 4.763 4.556 -0.012 0.000 0.230 768 H C -0.839 174.510 175.328 0.035 0.000 1.401 768 H CA -0.471 55.621 56.048 0.073 0.000 1.168 768 H CB 0.493 30.302 29.762 0.078 0.000 1.935 768 H HN -0.071 nan 8.280 nan 0.000 0.538 769 D N 1.417 121.859 120.400 0.070 0.000 2.422 769 D HA 0.105 4.738 4.640 -0.012 0.000 0.227 769 D C 0.978 177.219 176.300 -0.098 0.000 1.190 769 D CA -0.236 53.774 54.000 0.016 0.000 0.905 769 D CB 0.509 41.294 40.800 -0.025 0.000 1.034 769 D HN 0.369 nan 8.370 nan 0.000 0.507 770 R N 2.081 122.429 120.500 -0.253 0.000 2.189 770 R HA -0.058 4.274 4.340 -0.012 0.000 0.223 770 R C 0.606 176.376 176.300 -0.883 0.000 1.092 770 R CA 0.869 56.605 56.100 -0.606 0.000 0.989 770 R CB 0.125 29.889 30.300 -0.893 0.000 0.876 770 R HN 0.395 nan 8.270 nan 0.000 0.457 771 F N 1.318 121.218 119.950 -0.084 0.000 2.647 771 F HA 0.197 4.716 4.527 -0.012 0.000 0.300 771 F C 0.081 175.748 175.800 -0.222 0.000 1.106 771 F CA -0.692 57.242 58.000 -0.111 0.000 1.313 771 F CB 0.108 39.098 39.000 -0.016 0.000 1.007 771 F HN -0.192 nan 8.300 nan 0.000 0.536 772 K N -0.715 119.463 120.400 -0.369 0.000 3.834 772 K HA -0.206 4.107 4.320 -0.012 0.000 0.276 772 K C 0.790 177.262 176.600 -0.214 0.000 0.850 772 K CA 0.246 56.152 56.287 -0.635 0.000 0.704 772 K CB -1.989 29.931 32.500 -0.966 0.000 1.644 772 K HN 0.280 nan 8.250 nan 0.000 0.440 773 V N 0.523 120.387 119.914 -0.084 0.000 2.295 773 V HA -0.262 3.850 4.120 -0.012 0.000 0.246 773 V C 2.135 178.353 176.094 0.207 0.000 1.049 773 V CA 2.012 64.340 62.300 0.046 0.000 1.024 773 V CB -0.563 31.283 31.823 0.038 0.000 0.648 773 V HN 0.487 nan 8.190 nan 0.000 0.447 774 F N 0.893 120.841 119.950 -0.004 0.000 2.161 774 F HA -0.133 4.387 4.527 -0.013 0.000 0.300 774 F C 2.502 178.090 175.800 -0.354 0.000 1.089 774 F CA 0.938 58.879 58.000 -0.099 0.000 1.282 774 F CB -1.601 37.349 39.000 -0.083 0.000 1.010 774 F HN 0.170 nan 8.300 nan 0.000 0.485 775 A N -0.593 122.055 122.820 -0.287 0.000 2.024 775 A HA -0.181 4.132 4.320 -0.012 0.000 0.220 775 A C 1.664 179.249 177.584 0.003 0.000 1.164 775 A CA 2.042 53.854 52.037 -0.376 0.000 0.643 775 A CB -0.541 18.375 19.000 -0.140 0.000 0.806 775 A HN 0.254 nan 8.150 nan 0.000 0.451 776 D N -3.074 117.385 120.400 0.099 0.000 2.398 776 D HA 0.103 4.735 4.640 -0.012 0.000 0.210 776 D C 1.130 177.600 176.300 0.282 0.000 1.094 776 D CA -0.088 54.045 54.000 0.221 0.000 0.839 776 D CB -0.095 40.846 40.800 0.236 0.000 0.963 776 D HN 0.535 nan 8.370 nan 0.000 0.506 777 Y N 2.247 122.634 120.300 0.146 0.000 2.070 777 Y HA -0.224 4.319 4.550 -0.012 0.000 0.280 777 Y C 2.069 178.054 175.900 0.142 0.000 1.148 777 Y CA 1.929 60.125 58.100 0.160 0.000 1.125 777 Y CB 0.079 38.607 38.460 0.113 0.000 0.975 777 Y HN -0.108 nan 8.280 nan 0.000 0.492 778 E N -0.041 120.219 120.200 0.101 0.000 2.049 778 E HA -0.282 4.061 4.350 -0.012 0.000 0.198 778 E C 2.226 178.792 176.600 -0.057 0.000 1.007 778 E CA 1.728 58.117 56.400 -0.020 0.000 0.809 778 E CB -0.253 29.537 29.700 0.149 0.000 0.749 778 E HN 0.626 nan 8.360 nan 0.000 0.450 779 E N -0.422 119.822 120.200 0.075 0.000 2.204 779 E HA -0.191 4.151 4.350 -0.012 0.000 0.195 779 E C 1.868 178.462 176.600 -0.010 0.000 0.990 779 E CA 0.584 57.049 56.400 0.108 0.000 0.821 779 E CB -0.047 29.808 29.700 0.259 0.000 0.750 779 E HN 0.251 nan 8.360 nan 0.000 0.477 780 Y N 0.804 120.912 120.300 -0.320 0.000 2.133 780 Y HA -0.199 4.343 4.550 -0.012 0.000 0.287 780 Y C 2.212 177.707 175.900 -0.675 0.000 1.134 780 Y CA 1.514 59.101 58.100 -0.855 0.000 1.133 780 Y CB -0.634 37.380 38.460 -0.743 0.000 0.987 780 Y HN -0.036 nan 8.280 nan 0.000 0.502 781 V N -0.491 119.035 119.914 -0.646 0.000 2.515 781 V HA -0.164 3.949 4.120 -0.012 0.000 0.250 781 V C 2.192 178.040 176.094 -0.410 0.000 1.058 781 V CA 2.226 64.153 62.300 -0.622 0.000 1.064 781 V CB -0.652 30.883 31.823 -0.479 0.000 0.675 781 V HN 0.216 nan 8.190 nan 0.000 0.461 782 K N -0.015 120.213 120.400 -0.287 0.000 2.026 782 K HA -0.099 4.213 4.320 -0.012 0.000 0.208 782 K C 2.281 178.788 176.600 -0.155 0.000 1.048 782 K CA 2.000 58.192 56.287 -0.158 0.000 0.929 782 K CB -1.314 31.143 32.500 -0.072 0.000 0.713 782 K HN 0.660 nan 8.250 nan 0.000 0.439 783 C N 0.864 120.047 119.300 -0.195 0.000 2.425 783 C HA -0.089 4.364 4.460 -0.012 0.000 0.277 783 C C 2.439 177.268 174.990 -0.267 0.000 1.280 783 C CA 0.732 59.672 59.018 -0.130 0.000 1.744 783 C CB -0.704 26.982 27.740 -0.090 0.000 1.989 783 C HN 0.462 nan 8.230 nan 0.000 0.491 784 Q N 0.319 119.816 119.800 -0.506 0.000 2.170 784 Q HA -0.176 4.157 4.340 -0.012 0.000 0.203 784 Q C 1.961 177.779 176.000 -0.303 0.000 0.976 784 Q CA 1.557 57.025 55.803 -0.558 0.000 0.858 784 Q CB -0.374 27.800 28.738 -0.939 0.000 0.907 784 Q HN 0.754 nan 8.270 nan 0.000 0.433 785 E N 0.147 120.221 120.200 -0.209 0.000 2.106 785 E HA -0.123 4.220 4.350 -0.012 0.000 0.192 785 E C 2.061 178.635 176.600 -0.044 0.000 0.984 785 E CA 0.533 56.873 56.400 -0.101 0.000 0.806 785 E CB 0.098 29.754 29.700 -0.073 0.000 0.750 785 E HN 0.245 nan 8.360 nan 0.000 0.458 786 R N 0.208 120.695 120.500 -0.021 0.000 2.092 786 R HA -0.083 4.249 4.340 -0.012 0.000 0.231 786 R C 2.365 178.740 176.300 0.126 0.000 1.119 786 R CA 0.888 57.056 56.100 0.113 0.000 0.970 786 R CB -0.327 30.114 30.300 0.235 0.000 0.864 786 R HN 0.084 nan 8.270 nan 0.000 0.440 787 V N 0.714 120.510 119.914 -0.197 0.000 2.261 787 V HA -0.236 3.877 4.120 -0.012 0.000 0.246 787 V C 2.232 178.357 176.094 0.052 0.000 1.047 787 V CA 1.947 64.035 62.300 -0.354 0.000 1.015 787 V CB -0.420 31.018 31.823 -0.641 0.000 0.642 787 V HN 0.280 nan 8.190 nan 0.000 0.446 788 S N 0.012 115.687 115.700 -0.041 0.000 2.387 788 S HA -0.238 4.225 4.470 -0.012 0.000 0.230 788 S C 2.163 176.830 174.600 0.112 0.000 1.035 788 S CA 1.506 59.711 58.200 0.007 0.000 1.014 788 S CB -0.514 62.660 63.200 -0.043 0.000 0.836 788 S HN 0.662 nan 8.310 nan 0.000 0.466 789 A N 1.282 124.176 122.820 0.124 0.000 1.877 789 A HA 0.004 4.316 4.320 -0.012 0.000 0.216 789 A C 2.090 179.796 177.584 0.203 0.000 1.186 789 A CA 1.098 53.224 52.037 0.148 0.000 0.620 789 A CB -0.737 18.340 19.000 0.128 0.000 0.822 789 A HN 0.464 nan 8.150 nan 0.000 0.443 790 L N -1.920 119.489 121.223 0.311 0.000 2.131 790 L HA -0.164 4.168 4.340 -0.012 0.000 0.210 790 L C 2.453 179.612 176.870 0.482 0.000 1.092 790 L CA 1.765 56.862 54.840 0.429 0.000 0.759 790 L CB -0.420 42.009 42.059 0.616 0.000 0.903 790 L HN 0.613 nan 8.230 nan 0.000 0.435 791 Y N 0.835 121.251 120.300 0.193 0.000 2.352 791 Y HA -0.249 4.295 4.550 -0.011 0.000 0.292 791 Y C 2.422 178.235 175.900 -0.146 0.000 1.136 791 Y CA 1.531 59.446 58.100 -0.309 0.000 1.227 791 Y CB -0.032 38.038 38.460 -0.650 0.000 0.991 791 Y HN 0.031 nan 8.280 nan 0.000 0.545 792 K N 0.084 120.507 120.400 0.039 0.000 2.515 792 K HA -0.115 4.198 4.320 -0.012 0.000 0.196 792 K C 0.274 176.852 176.600 -0.037 0.000 1.038 792 K CA 0.589 56.886 56.287 0.016 0.000 0.967 792 K CB -0.096 32.462 32.500 0.097 0.000 0.780 792 K HN 0.056 nan 8.250 nan 0.000 0.483 793 N N 0.295 118.987 118.700 -0.013 0.000 2.904 793 N HA 0.137 4.869 4.740 -0.012 0.000 0.257 793 N C -2.448 173.060 175.510 -0.003 0.000 1.363 793 N CA -2.215 50.839 53.050 0.006 0.000 0.856 793 N CB 1.061 39.589 38.487 0.067 0.000 1.166 793 N HN -0.191 nan 8.380 nan 0.000 0.499 794 P HA -0.249 nan 4.420 nan 0.000 0.219 794 P C 1.419 178.727 177.300 0.014 0.000 1.161 794 P CA 1.418 64.441 63.100 -0.128 0.000 0.909 794 P CB 0.320 31.925 31.700 -0.159 0.000 0.793 795 R N -0.396 120.112 120.500 0.014 0.000 2.091 795 R HA -0.174 4.159 4.340 -0.012 0.000 0.238 795 R C 2.003 178.344 176.300 0.069 0.000 1.136 795 R CA 1.481 57.603 56.100 0.036 0.000 0.959 795 R CB -0.317 29.996 30.300 0.022 0.000 0.856 795 R HN 0.133 nan 8.270 nan 0.000 0.437 796 E N -0.327 119.926 120.200 0.088 0.000 2.158 796 E HA -0.191 4.151 4.350 -0.012 0.000 0.191 796 E C 1.546 178.229 176.600 0.138 0.000 0.982 796 E CA 0.525 56.981 56.400 0.094 0.000 0.823 796 E CB -0.418 29.336 29.700 0.089 0.000 0.766 796 E HN 0.499 nan 8.360 nan 0.000 0.468 797 W N 2.178 123.475 121.300 -0.005 0.000 2.355 797 W HA -0.178 4.474 4.660 -0.014 0.000 0.309 797 W C 1.542 178.068 176.519 0.013 0.000 1.206 797 W CA 2.084 59.443 57.345 0.022 0.000 1.284 797 W CB -0.388 29.056 29.460 -0.026 0.000 1.145 797 W HN 0.027 nan 8.180 nan 0.000 0.502 798 T N 1.243 115.946 114.554 0.249 0.000 2.788 798 T HA -0.174 4.168 4.350 -0.012 0.000 0.268 798 T C 1.836 176.554 174.700 0.030 0.000 1.044 798 T CA 1.678 63.852 62.100 0.124 0.000 1.139 798 T CB -0.294 68.626 68.868 0.087 0.000 0.867 798 T HN 0.188 nan 8.240 nan 0.000 0.454 799 R N 0.390 120.911 120.500 0.036 0.000 2.092 799 R HA 0.125 4.457 4.340 -0.012 0.000 0.231 799 R C 2.475 178.768 176.300 -0.013 0.000 1.119 799 R CA 1.077 57.194 56.100 0.028 0.000 0.970 799 R CB -0.322 30.000 30.300 0.036 0.000 0.864 799 R HN 0.366 nan 8.270 nan 0.000 0.440 800 M N 0.489 120.046 119.600 -0.072 0.000 2.254 800 M HA -0.117 4.356 4.480 -0.012 0.000 0.265 800 M C 1.884 178.094 176.300 -0.149 0.000 1.066 800 M CA 1.243 56.462 55.300 -0.135 0.000 1.123 800 M CB 0.237 32.696 32.600 -0.235 0.000 1.388 800 M HN -0.032 nan 8.290 nan 0.000 0.425 801 V N 0.804 120.617 119.914 -0.169 0.000 2.295 801 V HA -0.303 3.810 4.120 -0.012 0.000 0.246 801 V C 2.182 178.257 176.094 -0.032 0.000 1.049 801 V CA 1.958 64.185 62.300 -0.122 0.000 1.024 801 V CB -0.571 31.209 31.823 -0.071 0.000 0.648 801 V HN 0.498 nan 8.190 nan 0.000 0.447 802 I N -0.533 120.040 120.570 0.005 0.000 2.335 802 I HA -0.239 3.923 4.170 -0.012 0.000 0.251 802 I C 2.688 178.850 176.117 0.075 0.000 1.129 802 I CA 1.431 62.778 61.300 0.077 0.000 1.402 802 I CB -0.401 37.691 38.000 0.153 0.000 1.069 802 I HN 0.239 nan 8.210 nan 0.000 0.424 803 R N 0.389 120.911 120.500 0.038 0.000 2.115 803 R HA -0.091 4.242 4.340 -0.012 0.000 0.230 803 R C 1.908 178.239 176.300 0.052 0.000 1.111 803 R CA 1.074 57.197 56.100 0.038 0.000 0.976 803 R CB -0.541 29.766 30.300 0.011 0.000 0.870 803 R HN 0.552 nan 8.270 nan 0.000 0.445 804 N N 0.824 119.545 118.700 0.036 0.000 2.109 804 N HA -0.056 4.676 4.740 -0.012 0.000 0.188 804 N C 2.063 177.628 175.510 0.091 0.000 1.034 804 N CA 0.977 54.069 53.050 0.070 0.000 0.846 804 N CB -0.039 38.453 38.487 0.009 0.000 1.010 804 N HN 0.109 nan 8.380 nan 0.000 0.425 805 I N 1.713 122.324 120.570 0.068 0.000 2.163 805 I HA -0.262 3.901 4.170 -0.012 0.000 0.243 805 I C 2.438 178.603 176.117 0.080 0.000 1.085 805 I CA 1.073 62.418 61.300 0.076 0.000 1.347 805 I CB -0.360 37.677 38.000 0.061 0.000 1.044 805 I HN 0.095 nan 8.210 nan 0.000 0.408 806 A N -1.020 121.848 122.820 0.080 0.000 2.070 806 A HA -0.197 4.115 4.320 -0.012 0.000 0.220 806 A C 2.227 179.849 177.584 0.063 0.000 1.159 806 A CA 2.177 54.254 52.037 0.067 0.000 0.656 806 A CB -0.621 18.424 19.000 0.075 0.000 0.800 806 A HN 0.406 nan 8.150 nan 0.000 0.453 807 T N -0.908 113.698 114.554 0.086 0.000 3.129 807 T HA 0.145 4.488 4.350 -0.012 0.000 0.267 807 T C 1.422 176.208 174.700 0.142 0.000 1.018 807 T CA 0.735 62.889 62.100 0.091 0.000 0.903 807 T CB -0.498 68.426 68.868 0.093 0.000 1.067 807 T HN 0.595 nan 8.240 nan 0.000 0.549 808 S N -0.991 114.812 115.700 0.171 0.000 2.558 808 S HA 0.190 4.653 4.470 -0.012 0.000 0.217 808 S C 2.305 177.015 174.600 0.183 0.000 0.975 808 S CA 0.514 58.888 58.200 0.289 0.000 0.912 808 S CB -0.343 63.015 63.200 0.263 0.000 0.776 808 S HN 0.445 nan 8.310 nan 0.000 0.526 809 G N 2.867 111.709 108.800 0.069 0.000 2.547 809 G HA2 -0.343 3.610 3.960 -0.012 0.000 0.221 809 G HA3 -0.343 3.610 3.960 -0.012 0.000 0.221 809 G C 1.332 176.183 174.900 -0.082 0.000 1.140 809 G CA 1.187 46.298 45.100 0.018 0.000 0.760 809 G HN 0.591 nan 8.290 nan 0.000 0.583 810 K N -0.237 119.999 120.400 -0.274 0.000 2.280 810 K HA -0.038 4.275 4.320 -0.012 0.000 0.202 810 K C 1.108 177.370 176.600 -0.563 0.000 1.047 810 K CA 0.620 56.612 56.287 -0.492 0.000 0.942 810 K CB -0.219 31.827 32.500 -0.758 0.000 0.739 810 K HN 0.375 nan 8.250 nan 0.000 0.457 811 F N 0.908 120.889 119.950 0.053 0.000 2.664 811 F HA 0.147 4.666 4.527 -0.013 0.000 0.301 811 F C 0.871 176.718 175.800 0.079 0.000 1.126 811 F CA -0.316 57.721 58.000 0.063 0.000 1.373 811 F CB 0.054 39.088 39.000 0.056 0.000 1.042 811 F HN -0.142 nan 8.300 nan 0.000 0.535 812 S N 0.042 115.827 115.700 0.141 0.000 2.545 812 S HA 0.130 4.592 4.470 -0.012 0.000 0.275 812 S C 1.426 176.113 174.600 0.145 0.000 1.299 812 S CA -0.135 58.148 58.200 0.139 0.000 1.048 812 S CB 0.888 64.140 63.200 0.086 0.000 0.938 812 S HN 0.305 nan 8.310 nan 0.000 0.496 813 S N 3.077 118.888 115.700 0.185 0.000 2.507 813 S HA -0.071 4.392 4.470 -0.012 0.000 0.235 813 S C 0.903 175.566 174.600 0.105 0.000 0.988 813 S CA 0.661 58.995 58.200 0.223 0.000 0.944 813 S CB -0.363 63.040 63.200 0.339 0.000 0.762 813 S HN 0.793 nan 8.310 nan 0.000 0.526 814 D N 1.805 122.248 120.400 0.072 0.000 2.144 814 D HA -0.058 4.575 4.640 -0.012 0.000 0.200 814 D C 2.093 178.401 176.300 0.012 0.000 0.978 814 D CA 0.693 54.712 54.000 0.031 0.000 0.833 814 D CB -0.290 40.526 40.800 0.026 0.000 0.961 814 D HN 0.286 nan 8.370 nan 0.000 0.470 815 R N 0.798 121.308 120.500 0.018 0.000 2.066 815 R HA -0.079 4.253 4.340 -0.012 0.000 0.232 815 R C 1.845 178.140 176.300 -0.008 0.000 1.131 815 R CA 1.341 57.437 56.100 -0.007 0.000 0.955 815 R CB -0.695 29.589 30.300 -0.027 0.000 0.851 815 R HN 0.114 nan 8.270 nan 0.000 0.432 816 T N 2.266 116.840 114.554 0.033 0.000 2.652 816 T HA -0.127 4.216 4.350 -0.012 0.000 0.267 816 T C 1.943 176.650 174.700 0.011 0.000 1.039 816 T CA 1.389 63.527 62.100 0.064 0.000 1.153 816 T CB -0.146 68.841 68.868 0.200 0.000 0.863 816 T HN 0.099 nan 8.240 nan 0.000 0.428 817 I N 1.789 122.285 120.570 -0.124 0.000 2.286 817 I HA -0.105 4.058 4.170 -0.012 0.000 0.248 817 I C 2.917 178.985 176.117 -0.082 0.000 1.115 817 I CA 0.966 62.151 61.300 -0.193 0.000 1.392 817 I CB -1.660 36.236 38.000 -0.174 0.000 1.065 817 I HN 0.204 nan 8.210 nan 0.000 0.418 818 A N -0.002 122.790 122.820 -0.046 0.000 1.972 818 A HA -0.232 4.081 4.320 -0.012 0.000 0.219 818 A C 2.259 179.799 177.584 -0.073 0.000 1.169 818 A CA 1.407 53.424 52.037 -0.033 0.000 0.635 818 A CB -0.522 18.465 19.000 -0.021 0.000 0.810 818 A HN 0.511 nan 8.150 nan 0.000 0.446 819 Q N -2.003 117.734 119.800 -0.105 0.000 2.083 819 Q HA -0.132 4.200 4.340 -0.012 0.000 0.198 819 Q C 1.882 177.707 176.000 -0.291 0.000 0.969 819 Q CA 1.460 57.160 55.803 -0.173 0.000 0.838 819 Q CB -0.241 28.383 28.738 -0.190 0.000 0.900 819 Q HN 0.826 nan 8.270 nan 0.000 0.436 820 Y N 0.470 120.474 120.300 -0.494 0.000 2.145 820 Y HA -0.266 4.277 4.550 -0.013 0.000 0.286 820 Y C 2.429 177.740 175.900 -0.983 0.000 1.145 820 Y CA 1.247 58.800 58.100 -0.913 0.000 1.148 820 Y CB -0.390 37.224 38.460 -1.409 0.000 0.981 820 Y HN 0.153 nan 8.280 nan 0.000 0.507 821 A N 0.448 123.023 122.820 -0.408 0.000 1.865 821 A HA -0.237 4.076 4.320 -0.012 0.000 0.217 821 A C 2.260 179.851 177.584 0.012 0.000 1.191 821 A CA 2.151 54.198 52.037 0.017 0.000 0.623 821 A CB -0.587 18.498 19.000 0.141 0.000 0.826 821 A HN 0.425 nan 8.150 nan 0.000 0.444 822 R N -0.606 119.865 120.500 -0.048 0.000 2.075 822 R HA -0.041 4.292 4.340 -0.012 0.000 0.226 822 R C 1.838 178.112 176.300 -0.043 0.000 1.114 822 R CA 1.473 57.558 56.100 -0.025 0.000 0.972 822 R CB -0.273 30.008 30.300 -0.031 0.000 0.869 822 R HN 0.654 nan 8.270 nan 0.000 0.437 823 E N -0.246 119.888 120.200 -0.111 0.000 2.442 823 E HA 0.076 4.419 4.350 -0.012 0.000 0.195 823 E C 1.390 177.937 176.600 -0.088 0.000 1.030 823 E CA 0.483 56.823 56.400 -0.100 0.000 0.869 823 E CB 0.464 30.079 29.700 -0.141 0.000 0.857 823 E HN 0.349 nan 8.360 nan 0.000 0.505 824 I N -1.516 118.971 120.570 -0.138 0.000 4.046 824 I HA 0.028 4.190 4.170 -0.012 0.000 0.285 824 I C 1.202 177.452 176.117 0.220 0.000 1.183 824 I CA -0.094 61.181 61.300 -0.041 0.000 1.337 824 I CB 0.229 38.061 38.000 -0.281 0.000 1.478 824 I HN 0.115 nan 8.210 nan 0.000 0.452 825 W N 1.679 123.069 121.300 0.150 0.000 2.658 825 W HA 0.331 4.984 4.660 -0.012 0.000 0.263 825 W C 1.531 178.088 176.519 0.064 0.000 1.274 825 W CA 0.822 58.238 57.345 0.118 0.000 1.343 825 W CB -1.019 28.497 29.460 0.094 0.000 1.106 825 W HN 0.316 nan 8.180 nan 0.000 0.615 826 G N 1.154 110.095 108.800 0.236 0.000 2.256 826 G HA2 -0.108 3.844 3.960 -0.012 0.000 0.272 826 G HA3 -0.108 3.844 3.960 -0.012 0.000 0.272 826 G C -0.293 174.684 174.900 0.127 0.000 1.076 826 G CA 0.245 45.427 45.100 0.136 0.000 0.882 826 G HN 0.409 nan 8.290 nan 0.000 0.497 827 V N -4.332 115.676 119.914 0.156 0.000 2.962 827 V HA 0.922 5.035 4.120 -0.012 0.000 0.313 827 V C -0.402 175.751 176.094 0.099 0.000 1.099 827 V CA -1.668 60.704 62.300 0.120 0.000 0.971 827 V CB 2.371 34.276 31.823 0.137 0.000 1.028 827 V HN 0.115 nan 8.190 nan 0.000 0.430 828 E N 3.674 123.916 120.200 0.070 0.000 2.134 828 E HA 0.521 4.863 4.350 -0.012 0.000 0.278 828 E C -2.518 174.116 176.600 0.057 0.000 0.959 828 E CA -1.796 54.638 56.400 0.056 0.000 0.783 828 E CB 1.803 31.529 29.700 0.042 0.000 1.095 828 E HN 0.753 nan 8.360 nan 0.000 0.399 829 P HA 0.077 nan 4.420 nan 0.000 0.270 829 P C -0.505 176.821 177.300 0.044 0.000 1.223 829 P CA -0.259 62.872 63.100 0.052 0.000 0.785 829 P CB 0.838 32.564 31.700 0.044 0.000 0.923 830 S N 1.056 116.783 115.700 0.045 0.000 2.546 830 S HA 0.357 4.820 4.470 -0.012 0.000 0.272 830 S C 0.053 174.676 174.600 0.038 0.000 1.140 830 S CA -0.882 57.343 58.200 0.041 0.000 0.920 830 S CB 1.318 64.547 63.200 0.048 0.000 1.083 830 S HN 0.302 nan 8.310 nan 0.000 0.476 831 R N 2.370 122.889 120.500 0.032 0.000 2.586 831 R HA 0.215 4.548 4.340 -0.012 0.000 0.306 831 R C -0.152 176.159 176.300 0.019 0.000 1.079 831 R CA -0.102 56.016 56.100 0.029 0.000 1.083 831 R CB 0.190 30.509 30.300 0.031 0.000 1.306 831 R HN 0.669 nan 8.270 nan 0.000 0.567 832 Q N 1.063 120.873 119.800 0.017 0.000 2.288 832 Q HA 0.158 4.490 4.340 -0.012 0.000 0.258 832 Q C -0.318 175.674 176.000 -0.013 0.000 0.957 832 Q CA -0.179 55.628 55.803 0.006 0.000 0.919 832 Q CB 1.156 29.902 28.738 0.014 0.000 1.185 832 Q HN -0.122 nan 8.270 nan 0.000 0.408 833 R N 1.706 122.192 120.500 -0.023 0.000 2.489 833 R HA 0.068 4.401 4.340 -0.012 0.000 0.287 833 R C -0.610 175.654 176.300 -0.061 0.000 1.053 833 R CA -0.182 55.892 56.100 -0.043 0.000 1.036 833 R CB 0.190 30.465 30.300 -0.042 0.000 0.966 833 R HN 0.408 nan 8.270 nan 0.000 0.432 834 L N 6.490 127.660 121.223 -0.087 0.000 2.397 834 L HA 0.238 4.571 4.340 -0.012 0.000 0.271 834 L C -1.689 175.122 176.870 -0.097 0.000 1.148 834 L CA -1.954 52.802 54.840 -0.139 0.000 0.825 834 L CB 0.662 42.613 42.059 -0.181 0.000 1.117 834 L HN 0.616 nan 8.230 nan 0.000 0.456 835 P HA -0.008 nan 4.420 nan 0.000 0.196 835 P C 0.051 177.329 177.300 -0.036 0.000 1.360 835 P CA 0.686 63.757 63.100 -0.048 0.000 1.128 835 P CB -0.708 30.974 31.700 -0.031 0.000 1.750 836 A N 4.224 127.023 122.820 -0.035 0.000 6.759 836 A HA -0.176 4.137 4.320 -0.012 0.000 0.308 836 A C -1.330 176.244 177.584 -0.017 0.000 2.086 836 A CA 0.493 52.516 52.037 -0.023 0.000 1.123 836 A CB -1.853 17.140 19.000 -0.012 0.000 1.078 836 A HN 0.359 nan 8.150 nan 0.000 0.457 837 P HA 0.181 nan 4.420 nan 0.000 0.238 837 P C 0.103 177.411 177.300 0.015 0.000 1.183 837 P CA 0.562 63.669 63.100 0.012 0.000 0.813 837 P CB -0.356 31.361 31.700 0.030 0.000 0.944 838 D N 1.739 122.146 120.400 0.012 0.000 5.698 838 D HA -0.193 4.440 4.640 -0.012 0.000 0.147 838 D C 1.465 177.771 176.300 0.010 0.000 1.063 838 D CA 0.763 54.770 54.000 0.011 0.000 0.693 838 D CB 0.189 40.994 40.800 0.007 0.000 1.316 838 D HN 0.102 nan 8.370 nan 0.000 0.740 839 E N 2.938 123.144 120.200 0.009 0.000 2.840 839 E HA -0.443 3.900 4.350 -0.012 0.000 0.222 839 E C 0.182 176.785 176.600 0.005 0.000 0.868 839 E CA 2.775 59.178 56.400 0.005 0.000 1.266 839 E CB -0.222 29.479 29.700 0.001 0.000 1.318 839 E HN 0.886 nan 8.360 nan 0.000 0.486 840 K N -0.565 119.838 120.400 0.004 0.000 7.454 840 K HA -0.167 4.146 4.320 -0.012 0.000 0.649 840 K C -0.726 175.874 176.600 0.001 0.000 2.590 840 K CA 1.212 57.501 56.287 0.004 0.000 1.946 840 K CB -0.649 31.857 32.500 0.008 0.000 2.011 840 K HN 0.314 nan 8.250 nan 0.000 0.289 841 I N 3.586 124.156 120.570 -0.001 0.000 2.642 841 I HA 0.323 4.485 4.170 -0.012 0.000 0.273 841 I C -2.046 174.069 176.117 -0.004 0.000 1.208 841 I CA -1.579 59.718 61.300 -0.004 0.000 1.037 841 I CB 0.444 38.439 38.000 -0.008 0.000 1.253 841 I HN 0.948 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 63.100 63.100 0.001 0.000 0.800 842 P CB 0.000 31.704 31.700 0.007 0.000 0.726