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 1k06_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 LWSAKAPNDX XXXXXXXXGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSXXXXXXXX XTNFDAFPDK 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 RLPAP 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 0.000 176.104 176.117 -0.021 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.034 0.000 1.566 13 I CB 0.000 37.969 38.000 -0.051 0.000 1.214 14 S N -0.192 115.500 115.700 -0.012 0.000 2.655 14 S HA 0.184 4.646 4.470 -0.013 0.000 0.275 14 S C -1.201 173.401 174.600 0.002 0.000 0.899 14 S CA -0.417 57.783 58.200 -0.000 0.000 1.080 14 S CB 1.140 64.339 63.200 -0.001 0.000 1.359 14 S HN -0.040 nan 8.310 nan 0.000 0.453 15 V N 3.168 123.091 119.914 0.014 0.000 2.135 15 V HA 0.307 4.419 4.120 -0.013 0.000 0.287 15 V C 0.844 176.945 176.094 0.012 0.000 1.607 15 V CA 0.417 62.725 62.300 0.014 0.000 1.585 15 V CB -0.542 31.296 31.823 0.026 0.000 1.470 15 V HN 0.567 nan 8.190 nan 0.000 0.513 16 R N 1.962 122.462 120.500 -0.000 0.000 2.552 16 R HA 0.476 4.809 4.340 -0.013 0.000 0.314 16 R C 0.886 177.175 176.300 -0.018 0.000 1.041 16 R CA 0.376 56.473 56.100 -0.005 0.000 1.076 16 R CB 0.803 31.096 30.300 -0.012 0.000 1.290 16 R HN 0.673 nan 8.270 nan 0.000 0.563 17 G N 0.543 109.331 108.800 -0.020 0.000 2.661 17 G HA2 -0.185 3.767 3.960 -0.013 0.000 0.685 17 G HA3 -0.185 3.767 3.960 -0.013 0.000 0.685 17 G C -1.121 173.762 174.900 -0.029 0.000 1.298 17 G CA -1.153 43.926 45.100 -0.034 0.000 0.855 17 G HN -0.040 nan 8.290 nan 0.000 0.560 18 L N 0.400 121.604 121.223 -0.030 0.000 2.399 18 L HA 0.720 5.052 4.340 -0.013 0.000 0.266 18 L C 1.274 178.130 176.870 -0.023 0.000 1.114 18 L CA 0.185 55.011 54.840 -0.023 0.000 0.804 18 L CB 1.167 43.214 42.059 -0.020 0.000 1.146 18 L HN 1.572 nan 8.230 nan 0.000 0.451 19 A N 1.943 124.752 122.820 -0.017 0.000 2.937 19 A HA 0.585 4.897 4.320 -0.013 0.000 0.338 19 A C 0.668 178.249 177.584 -0.005 0.000 1.273 19 A CA -0.339 51.690 52.037 -0.013 0.000 0.937 19 A CB -0.454 18.537 19.000 -0.014 0.000 1.133 19 A HN 0.782 nan 8.150 nan 0.000 0.491 20 G N 0.135 108.933 108.800 -0.004 0.000 2.491 20 G HA2 0.336 4.288 3.960 -0.013 0.000 0.238 20 G HA3 0.336 4.288 3.960 -0.013 0.000 0.238 20 G C 1.231 176.137 174.900 0.010 0.000 1.277 20 G CA 0.204 45.305 45.100 0.003 0.000 0.851 20 G HN 1.392 nan 8.290 nan 0.000 0.573 21 V N 0.684 120.604 119.914 0.011 0.000 2.343 21 V HA -0.125 3.987 4.120 -0.013 0.000 0.247 21 V C 2.147 178.253 176.094 0.020 0.000 1.051 21 V CA 2.494 64.803 62.300 0.015 0.000 1.036 21 V CB -0.707 31.123 31.823 0.013 0.000 0.654 21 V HN 0.707 nan 8.190 nan 0.000 0.451 22 E N 0.750 120.963 120.200 0.020 0.000 2.107 22 E HA -0.119 4.223 4.350 -0.013 0.000 0.191 22 E C 2.127 178.749 176.600 0.036 0.000 0.982 22 E CA 1.478 57.893 56.400 0.026 0.000 0.809 22 E CB -0.276 29.438 29.700 0.023 0.000 0.756 22 E HN 0.743 nan 8.360 nan 0.000 0.459 23 N N -0.787 117.934 118.700 0.034 0.000 2.084 23 N HA -0.144 4.588 4.740 -0.013 0.000 0.190 23 N C 1.521 177.060 175.510 0.048 0.000 1.030 23 N CA 1.166 54.243 53.050 0.044 0.000 0.849 23 N CB 0.074 38.575 38.487 0.024 0.000 1.012 23 N HN -0.030 nan 8.380 nan 0.000 0.423 24 V N -0.222 119.712 119.914 0.033 0.000 2.515 24 V HA -0.185 3.927 4.120 -0.013 0.000 0.250 24 V C 1.995 178.113 176.094 0.040 0.000 1.058 24 V CA 1.790 64.110 62.300 0.032 0.000 1.064 24 V CB -0.783 31.054 31.823 0.023 0.000 0.675 24 V HN 0.425 nan 8.190 nan 0.000 0.461 25 T N -0.448 114.130 114.554 0.040 0.000 2.737 25 T HA -0.206 4.137 4.350 -0.013 0.000 0.265 25 T C 1.917 176.653 174.700 0.059 0.000 1.038 25 T CA 1.756 63.881 62.100 0.041 0.000 1.144 25 T CB -0.158 68.730 68.868 0.034 0.000 0.866 25 T HN 0.494 nan 8.240 nan 0.000 0.434 26 E N 0.694 120.935 120.200 0.068 0.000 2.077 26 E HA -0.097 4.245 4.350 -0.013 0.000 0.193 26 E C 1.946 178.620 176.600 0.123 0.000 0.989 26 E CA 0.773 57.225 56.400 0.087 0.000 0.800 26 E CB -0.459 29.295 29.700 0.091 0.000 0.746 26 E HN 0.146 nan 8.360 nan 0.000 0.452 27 L N 0.924 122.228 121.223 0.134 0.000 2.012 27 L HA -0.153 4.179 4.340 -0.013 0.000 0.210 27 L C 2.166 179.144 176.870 0.180 0.000 1.073 27 L CA 1.847 56.790 54.840 0.172 0.000 0.748 27 L CB -0.831 41.302 42.059 0.124 0.000 0.891 27 L HN 0.097 nan 8.230 nan 0.000 0.431 28 K N -0.248 120.222 120.400 0.116 0.000 2.063 28 K HA -0.232 4.080 4.320 -0.013 0.000 0.208 28 K C 2.029 178.738 176.600 0.181 0.000 1.048 28 K CA 1.886 58.237 56.287 0.108 0.000 0.928 28 K CB -0.131 32.393 32.500 0.040 0.000 0.713 28 K HN 0.406 nan 8.250 nan 0.000 0.442 29 K N 0.220 120.704 120.400 0.141 0.000 2.148 29 K HA -0.085 4.227 4.320 -0.013 0.000 0.204 29 K C 1.543 178.240 176.600 0.161 0.000 1.050 29 K CA 1.507 57.873 56.287 0.132 0.000 0.942 29 K CB -0.063 32.488 32.500 0.085 0.000 0.724 29 K HN -0.007 nan 8.250 nan 0.000 0.446 30 N N 0.184 118.995 118.700 0.184 0.000 2.331 30 N HA -0.097 4.635 4.740 -0.013 0.000 0.180 30 N C 1.456 177.150 175.510 0.307 0.000 1.019 30 N CA 0.805 53.971 53.050 0.193 0.000 0.881 30 N CB -0.194 38.417 38.487 0.207 0.000 0.972 30 N HN 0.254 nan 8.380 nan 0.000 0.435 31 F N 2.242 122.303 119.950 0.186 0.000 2.146 31 F HA -0.028 4.491 4.527 -0.013 0.000 0.298 31 F C 1.945 177.861 175.800 0.192 0.000 1.096 31 F CA 1.141 59.263 58.000 0.204 0.000 1.275 31 F CB -0.113 38.975 39.000 0.147 0.000 1.008 31 F HN -0.049 nan 8.300 nan 0.000 0.480 32 N N 0.454 119.363 118.700 0.349 0.000 2.188 32 N HA -0.145 4.587 4.740 -0.013 0.000 0.184 32 N C 2.089 177.673 175.510 0.123 0.000 1.018 32 N CA 0.708 53.885 53.050 0.212 0.000 0.858 32 N CB -0.466 38.140 38.487 0.199 0.000 0.989 32 N HN 0.308 nan 8.380 nan 0.000 0.426 33 R N 0.636 121.218 120.500 0.137 0.000 2.080 33 R HA -0.115 4.218 4.340 -0.013 0.000 0.236 33 R C 1.802 178.185 176.300 0.137 0.000 1.137 33 R CA 1.533 57.737 56.100 0.173 0.000 0.943 33 R CB -0.512 29.811 30.300 0.038 0.000 0.846 33 R HN 0.436 nan 8.270 nan 0.000 0.431 34 H N -0.193 118.922 119.070 0.076 0.000 2.387 34 H HA -0.142 4.406 4.556 -0.013 0.000 0.299 34 H C 1.851 177.109 175.328 -0.117 0.000 1.090 34 H CA 1.484 57.510 56.048 -0.037 0.000 1.332 34 H CB -0.032 29.674 29.762 -0.093 0.000 1.386 34 H HN 0.082 nan 8.280 nan 0.000 0.516 35 L N -0.024 121.171 121.223 -0.048 0.000 2.079 35 L HA -0.197 4.135 4.340 -0.013 0.000 0.210 35 L C 2.149 178.981 176.870 -0.063 0.000 1.081 35 L CA 1.892 56.664 54.840 -0.112 0.000 0.752 35 L CB -0.462 41.523 42.059 -0.124 0.000 0.896 35 L HN 0.314 nan 8.230 nan 0.000 0.433 36 H N -1.692 117.283 119.070 -0.160 0.000 2.273 36 H HA -0.030 4.518 4.556 -0.013 0.000 0.311 36 H C 1.805 176.915 175.328 -0.363 0.000 1.057 36 H CA 2.132 57.993 56.048 -0.312 0.000 1.360 36 H CB -0.348 29.127 29.762 -0.478 0.000 1.414 36 H HN 0.265 nan 8.280 nan 0.000 0.516 37 F N -0.248 119.656 119.950 -0.078 0.000 2.259 37 F HA -0.033 4.487 4.527 -0.013 0.000 0.298 37 F C 2.510 178.214 175.800 -0.159 0.000 1.088 37 F CA 1.400 59.311 58.000 -0.149 0.000 1.358 37 F CB -0.337 38.619 39.000 -0.074 0.000 1.040 37 F HN 0.203 nan 8.300 nan 0.000 0.505 38 T N -0.483 114.081 114.554 0.016 0.000 2.983 38 T HA 0.048 4.390 4.350 -0.013 0.000 0.250 38 T C 1.692 176.287 174.700 -0.176 0.000 1.037 38 T CA 0.630 62.675 62.100 -0.091 0.000 1.142 38 T CB -0.074 68.722 68.868 -0.121 0.000 0.876 38 T HN -0.056 nan 8.240 nan 0.000 0.455 39 L N 0.957 122.077 121.223 -0.171 0.000 2.477 39 L HA 0.297 4.629 4.340 -0.013 0.000 0.220 39 L C 0.704 177.469 176.870 -0.176 0.000 1.106 39 L CA 0.316 55.046 54.840 -0.183 0.000 0.851 39 L CB -0.774 41.188 42.059 -0.161 0.000 0.994 39 L HN 0.048 nan 8.230 nan 0.000 0.462 40 V N 0.361 120.150 119.914 -0.208 0.000 6.125 40 V HA -0.292 3.820 4.120 -0.013 0.000 0.281 40 V C 0.527 176.503 176.094 -0.195 0.000 0.591 40 V CA 0.839 62.988 62.300 -0.253 0.000 0.617 40 V CB -2.023 29.680 31.823 -0.200 0.000 0.336 40 V HN 0.435 nan 8.190 nan 0.000 0.650 41 K N 1.144 121.440 120.400 -0.173 0.000 2.318 41 K HA 0.761 5.073 4.320 -0.013 0.000 0.265 41 K C -0.754 175.817 176.600 -0.048 0.000 1.055 41 K CA -0.364 55.858 56.287 -0.108 0.000 0.896 41 K CB 2.816 35.248 32.500 -0.113 0.000 1.479 41 K HN 0.627 nan 8.250 nan 0.000 0.449 42 D N -0.264 120.127 120.400 -0.015 0.000 2.753 42 D HA 0.232 4.864 4.640 -0.013 0.000 0.224 42 D C 0.343 176.675 176.300 0.053 0.000 1.213 42 D CA -0.563 53.459 54.000 0.037 0.000 0.833 42 D CB 1.450 42.270 40.800 0.035 0.000 1.607 42 D HN 0.173 nan 8.370 nan 0.000 0.463 43 R N 0.855 121.419 120.500 0.107 0.000 2.294 43 R HA -0.129 4.203 4.340 -0.013 0.000 0.250 43 R C 0.937 177.314 176.300 0.129 0.000 1.181 43 R CA 0.910 57.112 56.100 0.171 0.000 1.016 43 R CB -0.793 29.606 30.300 0.164 0.000 0.869 43 R HN 0.537 nan 8.270 nan 0.000 0.476 44 N N 0.128 118.871 118.700 0.071 0.000 2.412 44 N HA -0.031 4.701 4.740 -0.013 0.000 0.184 44 N C 1.281 176.811 175.510 0.032 0.000 1.101 44 N CA 0.935 54.016 53.050 0.052 0.000 0.881 44 N CB 0.674 39.182 38.487 0.034 0.000 0.969 44 N HN 0.212 nan 8.380 nan 0.000 0.459 45 V N -3.486 116.435 119.914 0.011 0.000 3.382 45 V HA 0.496 4.608 4.120 -0.013 0.000 0.296 45 V C 0.690 176.752 176.094 -0.053 0.000 1.529 45 V CA -0.646 61.647 62.300 -0.013 0.000 1.048 45 V CB -0.201 31.610 31.823 -0.021 0.000 0.878 45 V HN 0.016 nan 8.190 nan 0.000 0.442 46 A N 2.262 125.025 122.820 -0.095 0.000 2.477 46 A HA 0.602 4.914 4.320 -0.013 0.000 0.246 46 A C 0.747 178.153 177.584 -0.297 0.000 1.078 46 A CA 0.836 52.702 52.037 -0.285 0.000 0.770 46 A CB -0.087 18.598 19.000 -0.525 0.000 1.011 46 A HN 0.771 nan 8.150 nan 0.000 0.494 47 T N 0.504 114.898 114.554 -0.267 0.000 2.936 47 T HA 0.558 4.900 4.350 -0.013 0.000 0.282 47 T C -2.127 172.501 174.700 -0.120 0.000 1.003 47 T CA -1.773 60.261 62.100 -0.111 0.000 1.005 47 T CB 1.118 69.972 68.868 -0.024 0.000 1.097 47 T HN 0.267 nan 8.240 nan 0.000 0.532 48 P HA -0.100 nan 4.420 nan 0.000 0.217 48 P C 1.582 179.002 177.300 0.201 0.000 1.148 48 P CA 0.928 64.181 63.100 0.255 0.000 0.828 48 P CB 0.052 31.864 31.700 0.187 0.000 0.783 49 R N 0.048 120.616 120.500 0.112 0.000 2.096 49 R HA -0.141 4.191 4.340 -0.013 0.000 0.235 49 R C 1.670 178.138 176.300 0.280 0.000 1.127 49 R CA 1.770 57.972 56.100 0.170 0.000 0.968 49 R CB -0.660 29.697 30.300 0.096 0.000 0.861 49 R HN 0.095 nan 8.270 nan 0.000 0.440 50 D N -0.435 120.021 120.400 0.093 0.000 2.144 50 D HA -0.178 4.454 4.640 -0.013 0.000 0.200 50 D C 1.694 178.019 176.300 0.041 0.000 0.978 50 D CA 1.214 55.229 54.000 0.024 0.000 0.833 50 D CB -0.274 40.396 40.800 -0.217 0.000 0.961 50 D HN 0.287 nan 8.370 nan 0.000 0.470 51 Y N 0.223 120.636 120.300 0.187 0.000 2.181 51 Y HA -0.223 4.319 4.550 -0.013 0.000 0.288 51 Y C 2.345 178.398 175.900 0.254 0.000 1.146 51 Y CA 0.395 58.652 58.100 0.261 0.000 1.164 51 Y CB -1.143 37.515 38.460 0.330 0.000 0.982 51 Y HN 0.094 nan 8.280 nan 0.000 0.515 52 Y N -0.621 119.831 120.300 0.254 0.000 2.145 52 Y HA -0.273 4.269 4.550 -0.013 0.000 0.286 52 Y C 2.035 177.930 175.900 -0.009 0.000 1.145 52 Y CA 1.261 59.410 58.100 0.082 0.000 1.148 52 Y CB -1.171 37.235 38.460 -0.091 0.000 0.981 52 Y HN 0.056 nan 8.280 nan 0.000 0.507 53 F N 0.196 119.960 119.950 -0.311 0.000 2.171 53 F HA -0.154 4.366 4.527 -0.013 0.000 0.300 53 F C 2.625 178.293 175.800 -0.220 0.000 1.090 53 F CA 1.246 59.014 58.000 -0.386 0.000 1.293 53 F CB -0.667 38.267 39.000 -0.110 0.000 1.013 53 F HN 0.213 nan 8.300 nan 0.000 0.486 54 A N -0.251 122.546 122.820 -0.039 0.000 1.902 54 A HA -0.178 4.134 4.320 -0.013 0.000 0.217 54 A C 2.032 179.553 177.584 -0.104 0.000 1.181 54 A CA 1.546 53.438 52.037 -0.241 0.000 0.623 54 A CB -0.960 17.536 19.000 -0.840 0.000 0.818 54 A HN 0.355 nan 8.150 nan 0.000 0.443 55 L N -0.307 120.975 121.223 0.098 0.000 2.027 55 L HA 0.013 4.345 4.340 -0.013 0.000 0.206 55 L C 2.698 179.572 176.870 0.006 0.000 1.074 55 L CA 2.134 57.118 54.840 0.240 0.000 0.745 55 L CB -0.832 41.413 42.059 0.309 0.000 0.898 55 L HN 0.330 nan 8.230 nan 0.000 0.433 56 A N -1.206 121.447 122.820 -0.278 0.000 1.908 56 A HA -0.306 4.006 4.320 -0.013 0.000 0.218 56 A C 2.145 179.417 177.584 -0.519 0.000 1.181 56 A CA 2.153 53.921 52.037 -0.447 0.000 0.627 56 A CB -1.137 17.274 19.000 -0.981 0.000 0.818 56 A HN 0.690 nan 8.150 nan 0.000 0.445 57 H N -0.863 117.930 119.070 -0.463 0.000 2.389 57 H HA -0.046 4.502 4.556 -0.013 0.000 0.299 57 H C 2.335 177.392 175.328 -0.453 0.000 1.081 57 H CA 1.976 57.671 56.048 -0.588 0.000 1.345 57 H CB -0.094 29.089 29.762 -0.965 0.000 1.393 57 H HN 0.485 nan 8.280 nan 0.000 0.520 58 T N -0.447 114.043 114.554 -0.107 0.000 2.777 58 T HA -0.117 4.225 4.350 -0.013 0.000 0.266 58 T C 2.246 177.108 174.700 0.270 0.000 1.040 58 T CA 1.241 63.453 62.100 0.185 0.000 1.141 58 T CB -0.356 68.698 68.868 0.311 0.000 0.868 58 T HN 0.088 nan 8.240 nan 0.000 0.444 59 V N 1.710 121.755 119.914 0.219 0.000 2.307 59 V HA -0.119 3.993 4.120 -0.013 0.000 0.245 59 V C 2.639 178.922 176.094 0.316 0.000 1.045 59 V CA 1.631 64.103 62.300 0.287 0.000 1.024 59 V CB -0.626 31.354 31.823 0.261 0.000 0.651 59 V HN 0.382 nan 8.190 nan 0.000 0.449 60 R N 0.216 120.844 120.500 0.214 0.000 2.127 60 R HA -0.228 4.104 4.340 -0.013 0.000 0.238 60 R C 1.861 178.265 176.300 0.173 0.000 1.134 60 R CA 2.013 58.235 56.100 0.205 0.000 0.975 60 R CB -0.440 29.800 30.300 -0.100 0.000 0.865 60 R HN 0.476 nan 8.270 nan 0.000 0.447 61 D N 0.015 120.502 120.400 0.145 0.000 2.149 61 D HA -0.160 4.472 4.640 -0.013 0.000 0.198 61 D C 1.591 177.906 176.300 0.025 0.000 0.990 61 D CA 1.103 55.154 54.000 0.085 0.000 0.839 61 D CB -0.345 40.486 40.800 0.052 0.000 0.948 61 D HN 0.487 nan 8.370 nan 0.000 0.460 62 H N -0.275 118.858 119.070 0.103 0.000 2.545 62 H HA 0.040 4.589 4.556 -0.013 0.000 0.282 62 H C 2.088 177.457 175.328 0.068 0.000 1.020 62 H CA 0.351 56.444 56.048 0.076 0.000 1.243 62 H CB 0.415 30.213 29.762 0.059 0.000 1.377 62 H HN 0.206 nan 8.280 nan 0.000 0.581 63 L N -0.291 121.043 121.223 0.186 0.000 2.249 63 L HA -0.073 4.259 4.340 -0.013 0.000 0.207 63 L C 2.507 179.493 176.870 0.193 0.000 1.090 63 L CA 0.111 55.029 54.840 0.129 0.000 0.802 63 L CB -0.050 42.054 42.059 0.074 0.000 0.947 63 L HN 0.005 nan 8.230 nan 0.000 0.453 64 V N 0.571 120.617 119.914 0.219 0.000 2.250 64 V HA -0.310 3.802 4.120 -0.013 0.000 0.250 64 V C 2.633 178.835 176.094 0.181 0.000 1.060 64 V CA 2.297 64.744 62.300 0.245 0.000 1.030 64 V CB -1.527 30.389 31.823 0.155 0.000 0.643 64 V HN 0.580 nan 8.190 nan 0.000 0.445 65 G N -0.410 108.456 108.800 0.109 0.000 2.459 65 G HA2 -0.276 3.676 3.960 -0.013 0.000 0.217 65 G HA3 -0.276 3.676 3.960 -0.013 0.000 0.217 65 G C 1.729 176.678 174.900 0.082 0.000 1.183 65 G CA 1.052 46.195 45.100 0.071 0.000 0.776 65 G HN 0.457 nan 8.290 nan 0.000 0.552 66 R N -1.383 119.172 120.500 0.091 0.000 2.081 66 R HA -0.096 4.237 4.340 -0.013 0.000 0.235 66 R C 2.270 178.651 176.300 0.134 0.000 1.131 66 R CA 1.303 57.444 56.100 0.069 0.000 0.960 66 R CB -0.425 29.897 30.300 0.036 0.000 0.856 66 R HN 0.483 nan 8.270 nan 0.000 0.436 67 W N 1.444 122.724 121.300 -0.034 0.000 2.335 67 W HA -0.136 4.516 4.660 -0.013 0.000 0.311 67 W C 1.755 178.243 176.519 -0.052 0.000 1.213 67 W CA 1.154 58.474 57.345 -0.042 0.000 1.274 67 W CB -0.652 28.802 29.460 -0.011 0.000 1.148 67 W HN 0.013 nan 8.180 nan 0.000 0.498 68 I N 0.715 121.360 120.570 0.125 0.000 2.252 68 I HA -0.338 3.824 4.170 -0.013 0.000 0.245 68 I C 2.632 178.745 176.117 -0.007 0.000 1.102 68 I CA 1.735 63.024 61.300 -0.019 0.000 1.385 68 I CB -0.522 37.462 38.000 -0.025 0.000 1.064 68 I HN -0.061 nan 8.210 nan 0.000 0.414 69 R N 0.005 120.512 120.500 0.011 0.000 2.090 69 R HA -0.058 4.274 4.340 -0.013 0.000 0.228 69 R C 2.138 178.412 176.300 -0.044 0.000 1.110 69 R CA 1.692 57.788 56.100 -0.008 0.000 0.973 69 R CB -1.343 28.947 30.300 -0.017 0.000 0.869 69 R HN 0.247 nan 8.270 nan 0.000 0.440 70 T N 1.772 116.277 114.554 -0.081 0.000 2.652 70 T HA -0.144 4.198 4.350 -0.013 0.000 0.267 70 T C 1.900 176.349 174.700 -0.419 0.000 1.039 70 T CA 1.393 63.333 62.100 -0.266 0.000 1.153 70 T CB -0.167 68.574 68.868 -0.212 0.000 0.863 70 T HN 0.183 nan 8.240 nan 0.000 0.428 71 Q N 0.636 120.334 119.800 -0.169 0.000 2.170 71 Q HA -0.094 4.238 4.340 -0.013 0.000 0.203 71 Q C 2.347 178.369 176.000 0.036 0.000 0.976 71 Q CA 1.351 57.125 55.803 -0.047 0.000 0.858 71 Q CB -0.524 28.214 28.738 -0.001 0.000 0.907 71 Q HN 0.485 nan 8.270 nan 0.000 0.433 72 Q N -0.178 119.636 119.800 0.024 0.000 2.079 72 Q HA -0.171 4.161 4.340 -0.013 0.000 0.200 72 Q C 1.911 178.016 176.000 0.175 0.000 0.974 72 Q CA 1.888 57.753 55.803 0.104 0.000 0.840 72 Q CB -0.410 28.367 28.738 0.065 0.000 0.898 72 Q HN 0.533 nan 8.270 nan 0.000 0.430 73 H N -0.817 118.243 119.070 -0.017 0.000 2.290 73 H HA -0.184 4.364 4.556 -0.013 0.000 0.298 73 H C 1.259 176.674 175.328 0.145 0.000 1.087 73 H CA 2.305 58.358 56.048 0.008 0.000 1.291 73 H CB -0.449 29.254 29.762 -0.098 0.000 1.369 73 H HN 0.347 nan 8.280 nan 0.000 0.492 74 Y N -0.895 119.428 120.300 0.039 0.000 2.256 74 Y HA -0.207 4.335 4.550 -0.013 0.000 0.288 74 Y C 2.457 178.374 175.900 0.029 0.000 1.155 74 Y CA 1.029 59.116 58.100 -0.021 0.000 1.203 74 Y CB -1.336 37.180 38.460 0.094 0.000 0.980 74 Y HN 0.378 nan 8.280 nan 0.000 0.530 75 Y N 1.302 121.681 120.300 0.132 0.000 2.200 75 Y HA -0.155 4.387 4.550 -0.013 0.000 0.290 75 Y C 2.060 177.975 175.900 0.025 0.000 1.137 75 Y CA 1.667 59.811 58.100 0.073 0.000 1.163 75 Y CB -0.132 38.362 38.460 0.057 0.000 0.988 75 Y HN 0.126 nan 8.280 nan 0.000 0.518 76 E N 0.215 120.364 120.200 -0.084 0.000 2.028 76 E HA -0.193 4.150 4.350 -0.013 0.000 0.190 76 E C 2.094 178.586 176.600 -0.179 0.000 0.984 76 E CA 1.128 57.426 56.400 -0.170 0.000 0.800 76 E CB -0.352 29.339 29.700 -0.014 0.000 0.758 76 E HN 0.402 nan 8.360 nan 0.000 0.448 77 K N 1.016 121.306 120.400 -0.183 0.000 2.217 77 K HA -0.145 4.167 4.320 -0.013 0.000 0.202 77 K C -0.043 176.477 176.600 -0.134 0.000 1.051 77 K CA 0.854 57.033 56.287 -0.181 0.000 0.952 77 K CB 0.046 32.353 32.500 -0.321 0.000 0.736 77 K HN -0.069 nan 8.250 nan 0.000 0.453 78 D N 0.560 120.889 120.400 -0.118 0.000 2.737 78 D HA -0.104 4.529 4.640 -0.013 0.000 0.238 78 D C -2.450 173.809 176.300 -0.069 0.000 1.157 78 D CA 0.198 54.146 54.000 -0.087 0.000 0.694 78 D CB -0.127 40.601 40.800 -0.120 0.000 1.021 78 D HN 0.239 nan 8.370 nan 0.000 0.420 79 P HA 0.126 nan 4.420 nan 0.000 0.277 79 P C -0.127 177.119 177.300 -0.091 0.000 1.271 79 P CA -0.616 62.429 63.100 -0.092 0.000 0.795 79 P CB 0.612 32.233 31.700 -0.131 0.000 1.101 80 K N 0.840 121.190 120.400 -0.084 0.000 2.401 80 K HA 0.110 4.422 4.320 -0.013 0.000 0.278 80 K C -0.158 176.351 176.600 -0.152 0.000 1.018 80 K CA -0.096 56.139 56.287 -0.087 0.000 0.981 80 K CB 0.269 32.734 32.500 -0.058 0.000 0.933 80 K HN 0.240 nan 8.250 nan 0.000 0.477 81 R N 3.595 123.993 120.500 -0.169 0.000 2.346 81 R HA 0.357 4.689 4.340 -0.013 0.000 0.311 81 R C -0.684 175.341 176.300 -0.459 0.000 0.983 81 R CA -0.542 55.379 56.100 -0.297 0.000 0.880 81 R CB 0.918 31.061 30.300 -0.261 0.000 1.100 81 R HN 0.509 nan 8.270 nan 0.000 0.453 82 I N 4.564 124.811 120.570 -0.539 0.000 2.321 82 I HA 0.212 4.374 4.170 -0.013 0.000 0.291 82 I C -0.638 175.165 176.117 -0.525 0.000 0.998 82 I CA -0.815 60.117 61.300 -0.612 0.000 1.227 82 I CB 0.759 38.286 38.000 -0.788 0.000 1.368 82 I HN 0.541 nan 8.210 nan 0.000 0.466 83 Y N 5.982 126.251 120.300 -0.052 0.000 2.356 83 Y HA 0.285 4.827 4.550 -0.013 0.000 0.334 83 Y C -0.291 175.720 175.900 0.185 0.000 0.958 83 Y CA -0.739 57.464 58.100 0.172 0.000 1.196 83 Y CB 1.115 39.657 38.460 0.136 0.000 1.137 83 Y HN 0.394 nan 8.280 nan 0.000 0.485 84 Y N 4.585 125.064 120.300 0.299 0.000 2.518 84 Y HA 0.457 4.999 4.550 -0.013 0.000 0.344 84 Y C -1.178 174.985 175.900 0.439 0.000 0.982 84 Y CA -0.969 57.316 58.100 0.308 0.000 1.234 84 Y CB 0.239 38.882 38.460 0.306 0.000 1.114 84 Y HN 0.507 nan 8.280 nan 0.000 0.515 85 L N 4.995 126.273 121.223 0.093 0.000 2.265 85 L HA 0.458 4.790 4.340 -0.013 0.000 0.288 85 L C -0.132 176.747 176.870 0.016 0.000 1.058 85 L CA 0.168 55.114 54.840 0.176 0.000 0.809 85 L CB 1.220 43.355 42.059 0.127 0.000 1.179 85 L HN 0.570 nan 8.230 nan 0.000 0.429 86 S N 2.488 118.276 115.700 0.146 0.000 2.541 86 S HA 0.510 4.972 4.470 -0.013 0.000 0.271 86 S C 0.208 174.891 174.600 0.137 0.000 1.133 86 S CA -0.522 57.664 58.200 -0.023 0.000 0.876 86 S CB 1.067 64.021 63.200 -0.411 0.000 1.105 86 S HN 0.473 nan 8.310 nan 0.000 0.470 87 L N 2.701 124.042 121.223 0.197 0.000 2.591 87 L HA 0.453 4.786 4.340 -0.013 0.000 0.228 87 L C 0.245 177.308 176.870 0.322 0.000 1.133 87 L CA 0.919 55.946 54.840 0.312 0.000 0.880 87 L CB -0.066 42.191 42.059 0.331 0.000 1.033 87 L HN 0.653 nan 8.230 nan 0.000 0.450 88 E N -1.317 118.940 120.200 0.095 0.000 2.292 88 E HA 0.417 4.759 4.350 -0.013 0.000 0.272 88 E C -1.387 175.079 176.600 -0.223 0.000 0.881 88 E CA -0.476 55.961 56.400 0.063 0.000 0.754 88 E CB 1.954 31.672 29.700 0.030 0.000 1.201 88 E HN -0.167 nan 8.360 nan 0.000 0.425 89 F N 2.054 122.103 119.950 0.165 0.000 2.902 89 F HA 0.156 4.674 4.527 -0.013 0.000 0.368 89 F C -0.945 174.934 175.800 0.132 0.000 1.202 89 F CA -0.746 57.344 58.000 0.150 0.000 1.109 89 F CB 0.958 40.040 39.000 0.138 0.000 1.418 89 F HN 0.488 nan 8.300 nan 0.000 0.527 90 Y N 5.154 125.527 120.300 0.122 0.000 2.568 90 Y HA 0.186 4.728 4.550 -0.013 0.000 0.338 90 Y C 1.099 177.020 175.900 0.035 0.000 1.245 90 Y CA -0.912 57.212 58.100 0.040 0.000 1.667 90 Y CB 0.269 38.735 38.460 0.010 0.000 1.568 90 Y HN 0.530 nan 8.280 nan 0.000 0.471 91 M N 1.363 121.107 119.600 0.240 0.000 2.200 91 M HA 0.091 4.563 4.480 -0.013 0.000 0.265 91 M C 1.578 177.868 176.300 -0.016 0.000 1.066 91 M CA 1.144 56.492 55.300 0.081 0.000 1.127 91 M CB -1.302 31.319 32.600 0.033 0.000 1.379 91 M HN 0.669 nan 8.290 nan 0.000 0.420 92 G N 1.071 109.878 108.800 0.011 0.000 2.598 92 G HA2 -0.266 3.686 3.960 -0.013 0.000 0.244 92 G HA3 -0.266 3.686 3.960 -0.013 0.000 0.244 92 G C -0.374 174.485 174.900 -0.068 0.000 1.302 92 G CA -0.317 44.744 45.100 -0.065 0.000 0.903 92 G HN 0.453 nan 8.290 nan 0.000 0.575 93 R N -0.487 119.950 120.500 -0.104 0.000 2.531 93 R HA 0.572 4.904 4.340 -0.013 0.000 0.273 93 R C 1.443 177.620 176.300 -0.205 0.000 1.070 93 R CA 0.297 56.341 56.100 -0.093 0.000 1.112 93 R CB 0.979 31.231 30.300 -0.080 0.000 1.049 93 R HN 0.851 nan 8.270 nan 0.000 0.508 94 T N 0.011 114.375 114.554 -0.316 0.000 3.004 94 T HA 0.024 4.366 4.350 -0.013 0.000 0.266 94 T C 1.296 175.579 174.700 -0.694 0.000 0.986 94 T CA -0.220 61.508 62.100 -0.620 0.000 0.902 94 T CB 0.205 68.483 68.868 -0.983 0.000 1.118 94 T HN 0.340 nan 8.240 nan 0.000 0.522 95 L N 1.850 122.897 121.223 -0.294 0.000 1.976 95 L HA 0.104 4.437 4.340 -0.013 0.000 0.209 95 L C 2.574 179.403 176.870 -0.069 0.000 1.071 95 L CA 2.204 57.040 54.840 -0.006 0.000 0.746 95 L CB -0.973 41.299 42.059 0.355 0.000 0.890 95 L HN 0.373 nan 8.230 nan 0.000 0.432 96 Q N -0.755 119.005 119.800 -0.067 0.000 2.084 96 Q HA -0.246 4.086 4.340 -0.013 0.000 0.202 96 Q C 2.209 178.134 176.000 -0.125 0.000 0.978 96 Q CA 1.755 57.513 55.803 -0.075 0.000 0.844 96 Q CB -0.301 28.391 28.738 -0.076 0.000 0.898 96 Q HN 0.695 nan 8.270 nan 0.000 0.426 97 N N -0.888 117.698 118.700 -0.190 0.000 2.205 97 N HA -0.139 4.593 4.740 -0.013 0.000 0.186 97 N C 1.264 176.664 175.510 -0.184 0.000 1.015 97 N CA 1.669 54.600 53.050 -0.200 0.000 0.862 97 N CB 0.112 38.447 38.487 -0.253 0.000 0.986 97 N HN 0.206 nan 8.380 nan 0.000 0.429 98 T N 1.041 115.453 114.554 -0.237 0.000 2.812 98 T HA 0.011 4.353 4.350 -0.013 0.000 0.264 98 T C 2.056 176.690 174.700 -0.111 0.000 1.042 98 T CA 0.806 62.783 62.100 -0.205 0.000 1.140 98 T CB 0.009 68.710 68.868 -0.279 0.000 0.870 98 T HN 0.248 nan 8.240 nan 0.000 0.445 99 M N 0.592 120.142 119.600 -0.083 0.000 2.117 99 M HA -0.081 4.391 4.480 -0.013 0.000 0.262 99 M C 2.455 178.717 176.300 -0.063 0.000 1.065 99 M CA 1.243 56.508 55.300 -0.060 0.000 1.114 99 M CB -0.633 31.948 32.600 -0.032 0.000 1.361 99 M HN 0.100 nan 8.290 nan 0.000 0.408 100 V N 1.109 120.993 119.914 -0.050 0.000 2.255 100 V HA -0.282 3.830 4.120 -0.013 0.000 0.247 100 V C 1.815 177.919 176.094 0.017 0.000 1.051 100 V CA 1.951 64.249 62.300 -0.002 0.000 1.018 100 V CB -0.906 30.920 31.823 0.005 0.000 0.641 100 V HN 0.477 nan 8.190 nan 0.000 0.445 101 N N -0.270 118.430 118.700 0.000 0.000 2.520 101 N HA -0.061 4.671 4.740 -0.013 0.000 0.185 101 N C 1.093 176.507 175.510 -0.159 0.000 1.068 101 N CA 0.774 53.805 53.050 -0.031 0.000 0.911 101 N CB -0.095 38.380 38.487 -0.019 0.000 0.961 101 N HN 0.294 nan 8.380 nan 0.000 0.446 102 L N -0.378 120.766 121.223 -0.132 0.000 2.693 102 L HA 0.399 4.731 4.340 -0.013 0.000 0.235 102 L C 0.579 177.360 176.870 -0.148 0.000 1.127 102 L CA -0.203 54.556 54.840 -0.136 0.000 0.914 102 L CB -0.635 41.361 42.059 -0.103 0.000 1.193 102 L HN 0.095 nan 8.230 nan 0.000 0.502 103 A N -0.490 122.243 122.820 -0.145 0.000 2.869 103 A HA -0.214 4.098 4.320 -0.013 0.000 0.280 103 A C 1.023 178.546 177.584 -0.102 0.000 1.458 103 A CA 0.964 52.928 52.037 -0.122 0.000 0.776 103 A CB -1.955 16.958 19.000 -0.144 0.000 1.028 103 A HN 0.211 nan 8.150 nan 0.000 0.547 104 L N -0.890 120.272 121.223 -0.102 0.000 2.664 104 L HA 0.249 4.581 4.340 -0.013 0.000 0.233 104 L C 1.839 178.669 176.870 -0.066 0.000 1.113 104 L CA 1.559 56.334 54.840 -0.109 0.000 0.896 104 L CB -0.296 41.666 42.059 -0.163 0.000 1.163 104 L HN 0.632 nan 8.230 nan 0.000 0.497 105 E N 0.028 120.199 120.200 -0.048 0.000 2.065 105 E HA -0.280 4.062 4.350 -0.013 0.000 0.201 105 E C 1.701 178.286 176.600 -0.025 0.000 1.016 105 E CA 1.840 58.223 56.400 -0.029 0.000 0.818 105 E CB 0.208 29.894 29.700 -0.024 0.000 0.749 105 E HN 0.365 nan 8.360 nan 0.000 0.453 106 N N -0.353 118.329 118.700 -0.029 0.000 2.171 106 N HA -0.072 4.660 4.740 -0.013 0.000 0.184 106 N C 1.480 176.976 175.510 -0.024 0.000 1.021 106 N CA 1.230 54.263 53.050 -0.028 0.000 0.854 106 N CB -0.396 38.075 38.487 -0.028 0.000 0.994 106 N HN 0.271 nan 8.380 nan 0.000 0.426 107 A N 0.174 122.978 122.820 -0.027 0.000 1.902 107 A HA -0.152 4.160 4.320 -0.013 0.000 0.217 107 A C 2.610 180.188 177.584 -0.009 0.000 1.181 107 A CA 1.410 53.436 52.037 -0.019 0.000 0.623 107 A CB -1.015 17.966 19.000 -0.031 0.000 0.818 107 A HN 0.453 nan 8.150 nan 0.000 0.443 108 C N -0.933 118.360 119.300 -0.012 0.000 2.450 108 C HA -0.045 4.408 4.460 -0.013 0.000 0.279 108 C C 2.444 177.434 174.990 0.001 0.000 1.335 108 C CA 0.983 60.003 59.018 0.003 0.000 1.749 108 C CB -1.073 26.678 27.740 0.018 0.000 1.963 108 C HN 0.682 nan 8.230 nan 0.000 0.501 109 D N 0.811 121.211 120.400 -0.001 0.000 2.097 109 D HA -0.142 4.490 4.640 -0.013 0.000 0.195 109 D C 2.128 178.441 176.300 0.021 0.000 0.989 109 D CA 1.525 55.526 54.000 0.002 0.000 0.827 109 D CB -0.233 40.557 40.800 -0.017 0.000 0.966 109 D HN 0.462 nan 8.370 nan 0.000 0.456 110 E N 0.326 120.533 120.200 0.012 0.000 2.031 110 E HA -0.072 4.270 4.350 -0.013 0.000 0.193 110 E C 1.912 178.558 176.600 0.076 0.000 0.994 110 E CA 1.703 58.132 56.400 0.049 0.000 0.800 110 E CB -0.637 29.076 29.700 0.021 0.000 0.752 110 E HN 0.199 nan 8.360 nan 0.000 0.447 111 A N -0.071 122.759 122.820 0.016 0.000 1.892 111 A HA -0.251 4.061 4.320 -0.013 0.000 0.218 111 A C 2.521 180.038 177.584 -0.111 0.000 1.188 111 A CA 3.153 55.172 52.037 -0.030 0.000 0.631 111 A CB -1.609 17.375 19.000 -0.028 0.000 0.822 111 A HN 0.541 nan 8.150 nan 0.000 0.447 112 T N -3.785 110.692 114.554 -0.127 0.000 2.867 112 T HA -0.214 4.128 4.350 -0.013 0.000 0.268 112 T C 1.814 176.430 174.700 -0.140 0.000 1.057 112 T CA 1.541 63.501 62.100 -0.233 0.000 1.136 112 T CB -0.558 68.210 68.868 -0.167 0.000 0.874 112 T HN 0.474 nan 8.240 nan 0.000 0.466 113 Y N 2.253 122.472 120.300 -0.134 0.000 2.097 113 Y HA -0.103 4.439 4.550 -0.012 0.000 0.282 113 Y C 2.637 178.476 175.900 -0.101 0.000 1.152 113 Y CA 1.617 59.658 58.100 -0.099 0.000 1.136 113 Y CB -0.618 37.802 38.460 -0.065 0.000 0.975 113 Y HN 0.248 nan 8.280 nan 0.000 0.498 114 Q N -0.936 118.766 119.800 -0.164 0.000 2.291 114 Q HA -0.129 4.203 4.340 -0.013 0.000 0.206 114 Q C 1.535 177.396 176.000 -0.232 0.000 0.976 114 Q CA 0.871 56.542 55.803 -0.220 0.000 0.875 114 Q CB -0.087 28.613 28.738 -0.063 0.000 0.927 114 Q HN 0.345 nan 8.270 nan 0.000 0.450 115 L N -0.812 120.264 121.223 -0.246 0.000 2.591 115 L HA 0.132 4.464 4.340 -0.013 0.000 0.228 115 L C 1.104 177.812 176.870 -0.270 0.000 1.133 115 L CA 1.232 55.917 54.840 -0.257 0.000 0.880 115 L CB -0.450 41.366 42.059 -0.404 0.000 1.033 115 L HN 0.329 nan 8.230 nan 0.000 0.450 116 G N -0.226 108.393 108.800 -0.301 0.000 2.160 116 G HA2 -0.251 3.701 3.960 -0.013 0.000 0.244 116 G HA3 -0.251 3.701 3.960 -0.013 0.000 0.244 116 G C 0.075 174.836 174.900 -0.233 0.000 1.022 116 G CA 0.420 45.353 45.100 -0.277 0.000 0.741 116 G HN 0.311 nan 8.290 nan 0.000 0.508 117 L N -0.547 120.537 121.223 -0.231 0.000 2.323 117 L HA 0.691 5.023 4.340 -0.013 0.000 0.265 117 L C -0.456 176.379 176.870 -0.057 0.000 1.012 117 L CA -1.231 53.503 54.840 -0.177 0.000 0.820 117 L CB 1.765 43.656 42.059 -0.279 0.000 1.334 117 L HN 0.061 nan 8.230 nan 0.000 0.427 118 D N 1.312 121.705 120.400 -0.010 0.000 2.412 118 D HA 0.204 4.836 4.640 -0.013 0.000 0.224 118 D C 0.598 176.924 176.300 0.043 0.000 1.093 118 D CA -0.307 53.715 54.000 0.037 0.000 0.850 118 D CB 1.526 42.353 40.800 0.045 0.000 1.046 118 D HN 0.520 nan 8.370 nan 0.000 0.507 119 M N 3.083 122.708 119.600 0.043 0.000 2.108 119 M HA -0.164 4.308 4.480 -0.013 0.000 0.261 119 M C 1.457 177.796 176.300 0.064 0.000 1.066 119 M CA 1.622 56.956 55.300 0.056 0.000 1.107 119 M CB 0.163 32.788 32.600 0.043 0.000 1.356 119 M HN 0.430 nan 8.290 nan 0.000 0.406 120 E N -0.290 119.939 120.200 0.048 0.000 2.153 120 E HA -0.265 4.077 4.350 -0.013 0.000 0.194 120 E C 1.865 178.494 176.600 0.048 0.000 0.988 120 E CA 1.452 57.877 56.400 0.042 0.000 0.811 120 E CB -0.106 29.616 29.700 0.036 0.000 0.746 120 E HN 0.631 nan 8.360 nan 0.000 0.466 121 E N 0.114 120.347 120.200 0.056 0.000 2.107 121 E HA -0.181 4.161 4.350 -0.013 0.000 0.191 121 E C 1.868 178.508 176.600 0.066 0.000 0.982 121 E CA 0.468 56.903 56.400 0.058 0.000 0.809 121 E CB 0.207 29.944 29.700 0.061 0.000 0.756 121 E HN 0.093 nan 8.360 nan 0.000 0.459 122 L N 1.257 122.540 121.223 0.101 0.000 2.109 122 L HA -0.090 4.242 4.340 -0.013 0.000 0.207 122 L C 2.043 178.971 176.870 0.097 0.000 1.086 122 L CA 1.576 56.509 54.840 0.156 0.000 0.760 122 L CB -0.585 41.619 42.059 0.242 0.000 0.910 122 L HN 0.108 nan 8.230 nan 0.000 0.437 123 E N -0.687 119.561 120.200 0.080 0.000 2.153 123 E HA -0.196 4.146 4.350 -0.013 0.000 0.194 123 E C 1.778 178.335 176.600 -0.071 0.000 0.988 123 E CA 0.739 57.157 56.400 0.030 0.000 0.811 123 E CB 0.098 29.820 29.700 0.037 0.000 0.746 123 E HN 0.353 nan 8.360 nan 0.000 0.466 124 E N 0.042 120.215 120.200 -0.044 0.000 2.418 124 E HA -0.102 4.240 4.350 -0.013 0.000 0.197 124 E C 1.733 178.264 176.600 -0.115 0.000 1.026 124 E CA 0.500 56.871 56.400 -0.048 0.000 0.862 124 E CB 0.108 29.812 29.700 0.008 0.000 0.799 124 E HN 0.399 nan 8.360 nan 0.000 0.518 125 I N 0.692 121.133 120.570 -0.216 0.000 2.716 125 I HA -0.088 4.074 4.170 -0.013 0.000 0.259 125 I C 1.356 177.158 176.117 -0.525 0.000 1.172 125 I CA 0.181 61.289 61.300 -0.320 0.000 1.478 125 I CB 0.179 38.000 38.000 -0.300 0.000 1.104 125 I HN -0.032 nan 8.210 nan 0.000 0.439 126 E N 2.252 122.007 120.200 -0.742 0.000 2.414 126 E HA -0.070 4.272 4.350 -0.013 0.000 0.263 126 E C -0.031 176.452 176.600 -0.195 0.000 1.000 126 E CA -0.081 55.933 56.400 -0.643 0.000 0.914 126 E CB 0.635 30.073 29.700 -0.437 0.000 0.948 126 E HN 0.099 nan 8.360 nan 0.000 0.444 127 E N 2.563 122.743 120.200 -0.033 0.000 2.349 127 E HA 0.102 4.444 4.350 -0.013 0.000 0.265 127 E C -1.216 175.472 176.600 0.146 0.000 1.064 127 E CA -0.397 56.068 56.400 0.108 0.000 0.886 127 E CB 0.913 30.762 29.700 0.247 0.000 1.036 127 E HN 0.364 nan 8.360 nan 0.000 0.413 128 D N 1.164 121.635 120.400 0.117 0.000 2.350 128 D HA 0.311 4.943 4.640 -0.013 0.000 0.249 128 D C -0.962 175.368 176.300 0.049 0.000 1.119 128 D CA 0.091 54.134 54.000 0.072 0.000 0.886 128 D CB 1.103 41.935 40.800 0.054 0.000 1.195 128 D HN 0.423 nan 8.370 nan 0.000 0.437 129 A N 2.573 125.379 122.820 -0.024 0.000 2.666 129 A HA 0.467 4.779 4.320 -0.013 0.000 0.312 129 A C 0.982 178.399 177.584 -0.277 0.000 1.471 129 A CA -0.466 51.362 52.037 -0.348 0.000 1.134 129 A CB -0.244 18.632 19.000 -0.207 0.000 1.129 129 A HN 0.543 nan 8.150 nan 0.000 0.539 130 G N 2.037 110.622 108.800 -0.358 0.000 3.581 130 G HA2 0.404 4.356 3.960 -0.013 0.000 0.255 130 G HA3 0.404 4.356 3.960 -0.013 0.000 0.255 130 G C 0.288 174.918 174.900 -0.450 0.000 1.121 130 G CA -0.307 44.626 45.100 -0.278 0.000 1.739 130 G HN 0.695 nan 8.290 nan 0.000 0.646 131 L N 1.483 122.507 121.223 -0.332 0.000 2.955 131 L HA 0.406 4.738 4.340 -0.013 0.000 0.238 131 L C 0.969 177.757 176.870 -0.136 0.000 1.359 131 L CA -0.242 54.521 54.840 -0.129 0.000 1.214 131 L CB -0.423 41.697 42.059 0.102 0.000 1.600 131 L HN 0.313 nan 8.230 nan 0.000 0.442 132 G N -1.133 107.365 108.800 -0.502 0.000 2.601 132 G HA2 0.170 4.122 3.960 -0.013 0.000 0.291 132 G HA3 0.170 4.122 3.960 -0.013 0.000 0.291 132 G C -0.179 174.320 174.900 -0.668 0.000 1.456 132 G CA -0.482 44.335 45.100 -0.472 0.000 0.804 132 G HN -0.061 nan 8.290 nan 0.000 0.499 133 N N -0.700 117.837 118.700 -0.272 0.000 2.368 133 N HA 0.197 4.929 4.740 -0.013 0.000 0.178 133 N C 1.237 176.788 175.510 0.068 0.000 1.021 133 N CA 1.464 54.440 53.050 -0.124 0.000 0.875 133 N CB 0.971 39.468 38.487 0.017 0.000 1.020 133 N HN 0.850 nan 8.380 nan 0.000 0.433 134 G N -0.828 108.081 108.800 0.182 0.000 2.947 134 G HA2 0.210 4.162 3.960 -0.013 0.000 0.115 134 G HA3 0.210 4.162 3.960 -0.013 0.000 0.115 134 G C 0.786 175.810 174.900 0.207 0.000 1.214 134 G CA 0.261 45.533 45.100 0.286 0.000 1.324 134 G HN 0.181 nan 8.290 nan 0.000 0.645 135 G N 0.507 109.369 108.800 0.103 0.000 2.491 135 G HA2 -0.148 3.804 3.960 -0.013 0.000 0.218 135 G HA3 -0.148 3.804 3.960 -0.013 0.000 0.218 135 G C 1.901 176.788 174.900 -0.021 0.000 1.180 135 G CA 1.596 46.714 45.100 0.030 0.000 0.774 135 G HN 0.820 nan 8.290 nan 0.000 0.562 136 L N 0.628 121.810 121.223 -0.068 0.000 2.046 136 L HA 0.077 4.410 4.340 -0.013 0.000 0.208 136 L C 2.846 179.645 176.870 -0.119 0.000 1.077 136 L CA 2.075 56.787 54.840 -0.213 0.000 0.747 136 L CB -0.581 41.294 42.059 -0.307 0.000 0.896 136 L HN 0.244 nan 8.230 nan 0.000 0.432 137 G N -0.685 108.107 108.800 -0.013 0.000 2.402 137 G HA2 -0.302 3.650 3.960 -0.013 0.000 0.216 137 G HA3 -0.302 3.650 3.960 -0.013 0.000 0.216 137 G C 1.634 176.598 174.900 0.107 0.000 1.162 137 G CA 0.676 45.794 45.100 0.030 0.000 0.777 137 G HN 0.305 nan 8.290 nan 0.000 0.539 138 R N -0.011 120.581 120.500 0.155 0.000 2.148 138 R HA 0.139 4.471 4.340 -0.013 0.000 0.223 138 R C 2.254 178.560 176.300 0.010 0.000 1.088 138 R CA 0.729 56.896 56.100 0.111 0.000 0.985 138 R CB -0.730 29.596 30.300 0.043 0.000 0.880 138 R HN 0.348 nan 8.270 nan 0.000 0.451 139 L N -0.092 121.066 121.223 -0.108 0.000 2.093 139 L HA 0.094 4.426 4.340 -0.013 0.000 0.208 139 L C 2.034 178.612 176.870 -0.487 0.000 1.085 139 L CA 1.987 56.622 54.840 -0.342 0.000 0.755 139 L CB -0.703 41.099 42.059 -0.427 0.000 0.904 139 L HN 0.223 nan 8.230 nan 0.000 0.435 140 A N -0.493 122.179 122.820 -0.247 0.000 1.933 140 A HA -0.111 4.201 4.320 -0.013 0.000 0.218 140 A C 2.436 180.082 177.584 0.103 0.000 1.175 140 A CA 1.695 53.664 52.037 -0.115 0.000 0.628 140 A CB -1.075 17.833 19.000 -0.154 0.000 0.814 140 A HN 0.553 nan 8.150 nan 0.000 0.444 141 A N -1.141 121.771 122.820 0.153 0.000 1.898 141 A HA -0.146 4.166 4.320 -0.013 0.000 0.216 141 A C 2.297 179.960 177.584 0.132 0.000 1.181 141 A CA 1.625 53.779 52.037 0.194 0.000 0.620 141 A CB -1.203 17.900 19.000 0.172 0.000 0.819 141 A HN 0.582 nan 8.150 nan 0.000 0.442 142 C N -1.589 117.787 119.300 0.126 0.000 2.440 142 C HA -0.019 4.433 4.460 -0.013 0.000 0.278 142 C C 2.409 177.563 174.990 0.273 0.000 1.295 142 C CA 0.496 59.628 59.018 0.189 0.000 1.738 142 C CB -1.563 26.312 27.740 0.225 0.000 1.987 142 C HN 0.607 nan 8.230 nan 0.000 0.492 143 F N 0.528 120.460 119.950 -0.030 0.000 2.134 143 F HA -0.069 4.450 4.527 -0.013 0.000 0.299 143 F C 2.099 177.837 175.800 -0.103 0.000 1.097 143 F CA 1.050 58.978 58.000 -0.119 0.000 1.264 143 F CB -1.301 37.488 39.000 -0.351 0.000 1.001 143 F HN 0.092 nan 8.300 nan 0.000 0.479 144 L N 0.268 121.568 121.223 0.128 0.000 2.046 144 L HA -0.225 4.107 4.340 -0.013 0.000 0.208 144 L C 2.394 179.274 176.870 0.017 0.000 1.077 144 L CA 1.848 56.718 54.840 0.050 0.000 0.747 144 L CB -1.204 40.891 42.059 0.059 0.000 0.896 144 L HN 0.182 nan 8.230 nan 0.000 0.432 145 D N -1.319 119.101 120.400 0.034 0.000 2.117 145 D HA -0.166 4.466 4.640 -0.013 0.000 0.197 145 D C 1.915 178.228 176.300 0.021 0.000 0.987 145 D CA 1.498 55.503 54.000 0.008 0.000 0.829 145 D CB 0.448 41.251 40.800 0.005 0.000 0.961 145 D HN 0.295 nan 8.370 nan 0.000 0.460 146 S N -0.120 115.609 115.700 0.048 0.000 2.383 146 S HA -0.065 4.397 4.470 -0.013 0.000 0.227 146 S C 2.110 176.718 174.600 0.014 0.000 1.026 146 S CA 0.698 58.917 58.200 0.032 0.000 0.981 146 S CB -0.102 63.119 63.200 0.035 0.000 0.818 146 S HN 0.329 nan 8.310 nan 0.000 0.472 147 M N 0.890 120.491 119.600 0.003 0.000 2.159 147 M HA -0.106 4.366 4.480 -0.013 0.000 0.263 147 M C 2.372 178.671 176.300 -0.002 0.000 1.063 147 M CA 1.389 56.689 55.300 -0.002 0.000 1.110 147 M CB -0.422 32.160 32.600 -0.029 0.000 1.374 147 M HN 0.401 nan 8.290 nan 0.000 0.411 148 A N -0.512 122.304 122.820 -0.008 0.000 1.897 148 A HA -0.109 4.203 4.320 -0.013 0.000 0.215 148 A C 2.133 179.729 177.584 0.020 0.000 1.181 148 A CA 1.913 53.949 52.037 -0.003 0.000 0.620 148 A CB -1.010 17.970 19.000 -0.033 0.000 0.821 148 A HN 0.402 nan 8.150 nan 0.000 0.443 149 T N 0.262 114.833 114.554 0.028 0.000 2.881 149 T HA 0.014 4.356 4.350 -0.013 0.000 0.270 149 T C 1.221 175.949 174.700 0.047 0.000 1.068 149 T CA 1.001 63.132 62.100 0.051 0.000 1.131 149 T CB -0.261 68.646 68.868 0.064 0.000 0.871 149 T HN 0.327 nan 8.240 nan 0.000 0.479 150 L N 0.566 121.813 121.223 0.039 0.000 2.685 150 L HA 0.312 4.644 4.340 -0.013 0.000 0.233 150 L C 1.546 178.445 176.870 0.049 0.000 1.173 150 L CA -0.225 54.640 54.840 0.041 0.000 0.961 150 L CB -0.408 41.673 42.059 0.037 0.000 1.217 150 L HN 0.352 nan 8.230 nan 0.000 0.478 151 G N 1.301 110.135 108.800 0.057 0.000 2.341 151 G HA2 -0.294 3.658 3.960 -0.013 0.000 0.292 151 G HA3 -0.294 3.658 3.960 -0.013 0.000 0.292 151 G C 0.090 175.037 174.900 0.079 0.000 1.021 151 G CA 0.194 45.348 45.100 0.090 0.000 0.905 151 G HN 0.313 nan 8.290 nan 0.000 0.508 152 L N -0.262 120.975 121.223 0.023 0.000 2.334 152 L HA 0.617 4.949 4.340 -0.013 0.000 0.277 152 L C 1.148 177.893 176.870 -0.208 0.000 1.075 152 L CA -0.459 54.344 54.840 -0.062 0.000 0.804 152 L CB 1.675 43.714 42.059 -0.033 0.000 1.174 152 L HN 0.246 nan 8.230 nan 0.000 0.438 153 A N 3.127 125.665 122.820 -0.470 0.000 2.981 153 A HA 0.568 4.880 4.320 -0.013 0.000 0.280 153 A C 0.284 177.509 177.584 -0.598 0.000 1.743 153 A CA -0.154 51.305 52.037 -0.963 0.000 1.430 153 A CB -0.634 17.630 19.000 -1.226 0.000 1.085 153 A HN 0.697 nan 8.150 nan 0.000 0.597 154 A N 1.687 124.204 122.820 -0.504 0.000 2.340 154 A HA 0.796 5.108 4.320 -0.013 0.000 0.331 154 A C -1.038 176.219 177.584 -0.544 0.000 1.140 154 A CA -0.468 51.319 52.037 -0.417 0.000 0.801 154 A CB 0.771 19.617 19.000 -0.257 0.000 1.234 154 A HN 0.634 nan 8.150 nan 0.000 0.469 155 Y N 0.289 120.504 120.300 -0.140 0.000 2.361 155 Y HA 0.532 5.074 4.550 -0.013 0.000 0.337 155 Y C 0.827 176.765 175.900 0.063 0.000 0.965 155 Y CA -0.523 57.546 58.100 -0.052 0.000 1.091 155 Y CB 2.383 40.876 38.460 0.055 0.000 1.182 155 Y HN 0.825 nan 8.280 nan 0.000 0.450 156 G N 2.417 111.251 108.800 0.057 0.000 2.325 156 G HA2 0.435 4.387 3.960 -0.013 0.000 0.298 156 G HA3 0.435 4.387 3.960 -0.013 0.000 0.298 156 G C -1.707 173.173 174.900 -0.033 0.000 1.134 156 G CA -0.253 44.928 45.100 0.135 0.000 0.876 156 G HN 0.506 nan 8.290 nan 0.000 0.452 157 Y N 1.356 121.876 120.300 0.366 0.000 2.341 157 Y HA 0.629 5.171 4.550 -0.013 0.000 0.338 157 Y C 0.782 176.978 175.900 0.493 0.000 0.965 157 Y CA 0.183 58.465 58.100 0.305 0.000 1.108 157 Y CB 2.542 41.210 38.460 0.347 0.000 1.180 157 Y HN 0.840 nan 8.280 nan 0.000 0.458 158 G N 2.423 111.542 108.800 0.531 0.000 2.753 158 G HA2 0.603 4.555 3.960 -0.013 0.000 0.303 158 G HA3 0.603 4.555 3.960 -0.013 0.000 0.303 158 G C -1.703 173.440 174.900 0.406 0.000 1.242 158 G CA -0.821 44.627 45.100 0.581 0.000 0.810 158 G HN 0.415 nan 8.290 nan 0.000 0.515 159 I N 0.584 121.294 120.570 0.233 0.000 2.441 159 I HA 0.432 4.594 4.170 -0.013 0.000 0.295 159 I C 0.224 176.230 176.117 -0.185 0.000 0.994 159 I CA -0.725 60.591 61.300 0.026 0.000 1.144 159 I CB 2.225 40.072 38.000 -0.254 0.000 1.314 159 I HN 0.365 nan 8.210 nan 0.000 0.445 160 R N 6.327 126.824 120.500 -0.005 0.000 2.593 160 R HA 0.252 4.584 4.340 -0.013 0.000 0.282 160 R C -1.329 175.017 176.300 0.076 0.000 1.300 160 R CA -0.433 55.701 56.100 0.057 0.000 1.221 160 R CB 0.008 30.328 30.300 0.032 0.000 1.157 160 R HN 0.403 nan 8.270 nan 0.000 0.555 161 Y N 1.884 122.348 120.300 0.273 0.000 2.425 161 Y HA -0.016 4.526 4.550 -0.013 0.000 0.331 161 Y C 1.418 177.507 175.900 0.315 0.000 1.157 161 Y CA -0.140 58.111 58.100 0.252 0.000 1.372 161 Y CB 0.946 39.532 38.460 0.209 0.000 1.253 161 Y HN 0.560 nan 8.280 nan 0.000 0.536 162 E N 1.370 121.756 120.200 0.311 0.000 2.371 162 E HA 0.007 4.349 4.350 -0.013 0.000 0.194 162 E C -0.755 175.756 176.600 -0.148 0.000 1.012 162 E CA 0.580 56.987 56.400 0.011 0.000 0.860 162 E CB 0.077 29.608 29.700 -0.282 0.000 0.811 162 E HN 0.405 nan 8.360 nan 0.000 0.502 163 F N 1.147 121.334 119.950 0.394 0.000 2.496 163 F HA 0.452 4.971 4.527 -0.013 0.000 0.341 163 F C 0.905 176.796 175.800 0.152 0.000 1.134 163 F CA -1.070 57.105 58.000 0.291 0.000 0.968 163 F CB 2.019 41.118 39.000 0.165 0.000 1.205 163 F HN -0.101 nan 8.300 nan 0.000 0.436 164 G N 2.012 110.920 108.800 0.180 0.000 2.546 164 G HA2 0.308 4.260 3.960 -0.013 0.000 0.239 164 G HA3 0.308 4.260 3.960 -0.013 0.000 0.239 164 G C -0.499 174.356 174.900 -0.075 0.000 1.476 164 G CA -0.622 44.426 45.100 -0.087 0.000 1.064 164 G HN 0.519 nan 8.290 nan 0.000 0.561 165 I N 0.973 121.419 120.570 -0.207 0.000 2.683 165 I HA 0.250 4.412 4.170 -0.013 0.000 0.286 165 I C 0.516 176.541 176.117 -0.153 0.000 1.175 165 I CA -1.198 59.956 61.300 -0.243 0.000 1.429 165 I CB -0.213 37.542 38.000 -0.409 0.000 1.371 165 I HN 0.337 nan 8.210 nan 0.000 0.569 166 F N 6.295 126.256 119.950 0.018 0.000 2.589 166 F HA 0.246 4.765 4.527 -0.013 0.000 0.352 166 F C 0.387 176.239 175.800 0.086 0.000 1.168 166 F CA -0.500 57.534 58.000 0.057 0.000 1.353 166 F CB -0.296 38.727 39.000 0.037 0.000 1.116 166 F HN 0.428 nan 8.300 nan 0.000 0.608 167 N N 2.278 121.170 118.700 0.321 0.000 2.444 167 N HA 0.072 4.804 4.740 -0.013 0.000 0.271 167 N C -0.860 174.887 175.510 0.395 0.000 1.069 167 N CA -0.331 52.870 53.050 0.252 0.000 0.965 167 N CB 1.232 39.853 38.487 0.223 0.000 1.092 167 N HN 0.748 nan 8.380 nan 0.000 0.476 168 Q N 2.420 122.423 119.800 0.338 0.000 2.294 168 Q HA 0.168 4.500 4.340 -0.013 0.000 0.257 168 Q C -0.908 175.266 176.000 0.291 0.000 0.955 168 Q CA -0.185 55.855 55.803 0.395 0.000 0.936 168 Q CB 0.663 29.633 28.738 0.386 0.000 1.188 168 Q HN 0.259 nan 8.270 nan 0.000 0.420 169 K N 4.465 125.016 120.400 0.251 0.000 2.270 169 K HA 0.438 4.751 4.320 -0.013 0.000 0.255 169 K C -0.782 175.928 176.600 0.183 0.000 0.936 169 K CA -0.938 55.471 56.287 0.203 0.000 0.809 169 K CB 1.554 34.152 32.500 0.164 0.000 1.131 169 K HN 0.609 nan 8.250 nan 0.000 0.427 170 I N 2.305 122.978 120.570 0.171 0.000 2.312 170 I HA 0.138 4.300 4.170 -0.013 0.000 0.290 170 I C 0.006 176.194 176.117 0.118 0.000 1.008 170 I CA -0.725 60.651 61.300 0.127 0.000 1.226 170 I CB 0.786 38.849 38.000 0.104 0.000 1.371 170 I HN 0.517 nan 8.210 nan 0.000 0.468 171 C N 5.342 124.724 119.300 0.137 0.000 2.293 171 C HA 0.607 5.059 4.460 -0.013 0.000 0.323 171 C C 1.198 176.308 174.990 0.199 0.000 1.240 171 C CA 0.191 59.295 59.018 0.143 0.000 1.497 171 C CB -0.329 27.490 27.740 0.130 0.000 2.171 171 C HN 1.091 nan 8.230 nan 0.000 0.465 172 G N 4.024 112.910 108.800 0.143 0.000 2.249 172 G HA2 0.054 4.006 3.960 -0.013 0.000 0.273 172 G HA3 0.054 4.006 3.960 -0.013 0.000 0.273 172 G C 1.147 176.081 174.900 0.057 0.000 1.036 172 G CA 1.055 46.248 45.100 0.154 0.000 0.824 172 G HN 2.464 nan 8.290 nan 0.000 0.504 173 G N -2.976 105.797 108.800 -0.044 0.000 2.179 173 G HA2 -0.287 3.665 3.960 -0.013 0.000 0.260 173 G HA3 -0.287 3.665 3.960 -0.013 0.000 0.260 173 G C 0.357 175.017 174.900 -0.401 0.000 0.977 173 G CA 0.656 45.601 45.100 -0.258 0.000 0.641 173 G HN 1.204 nan 8.290 nan 0.000 0.533 174 W N 0.804 122.063 121.300 -0.067 0.000 2.512 174 W HA 0.670 5.322 4.660 -0.013 0.000 0.335 174 W C 0.595 177.079 176.519 -0.058 0.000 1.088 174 W CA -0.864 56.438 57.345 -0.073 0.000 1.236 174 W CB 0.853 30.285 29.460 -0.047 0.000 1.307 174 W HN 0.269 nan 8.180 nan 0.000 0.567 175 Q N 2.918 122.837 119.800 0.198 0.000 2.314 175 Q HA 0.332 4.664 4.340 -0.013 0.000 0.258 175 Q C -0.667 175.405 176.000 0.120 0.000 0.954 175 Q CA 0.030 55.917 55.803 0.139 0.000 0.890 175 Q CB 0.653 29.467 28.738 0.126 0.000 1.210 175 Q HN 0.329 nan 8.270 nan 0.000 0.410 176 M N 3.134 122.796 119.600 0.105 0.000 2.321 176 M HA 0.364 4.836 4.480 -0.013 0.000 0.315 176 M C -1.240 175.073 176.300 0.021 0.000 1.052 176 M CA -0.660 54.667 55.300 0.045 0.000 0.936 176 M CB 1.794 34.434 32.600 0.068 0.000 1.639 176 M HN 0.649 nan 8.290 nan 0.000 0.433 177 E N 1.647 121.777 120.200 -0.116 0.000 2.197 177 E HA 0.435 4.777 4.350 -0.013 0.000 0.281 177 E C -0.718 175.868 176.600 -0.023 0.000 0.995 177 E CA -0.338 55.938 56.400 -0.206 0.000 0.808 177 E CB 1.595 30.911 29.700 -0.639 0.000 1.093 177 E HN 0.504 nan 8.360 nan 0.000 0.394 178 E N 1.777 122.053 120.200 0.127 0.000 2.256 178 E HA 0.588 4.930 4.350 -0.013 0.000 0.268 178 E C -1.208 175.493 176.600 0.168 0.000 0.877 178 E CA -1.146 55.327 56.400 0.122 0.000 0.757 178 E CB 1.173 30.960 29.700 0.145 0.000 1.183 178 E HN 0.590 nan 8.360 nan 0.000 0.418 179 A N 3.627 126.503 122.820 0.094 0.000 2.565 179 A HA 0.023 4.335 4.320 -0.013 0.000 0.237 179 A C -0.005 177.754 177.584 0.291 0.000 1.053 179 A CA 0.443 52.547 52.037 0.111 0.000 0.755 179 A CB 0.083 19.019 19.000 -0.106 0.000 0.980 179 A HN 0.702 nan 8.150 nan 0.000 0.506 180 D N 1.711 122.354 120.400 0.404 0.000 2.500 180 D HA 0.211 4.843 4.640 -0.013 0.000 0.219 180 D C -0.551 176.077 176.300 0.547 0.000 1.137 180 D CA -0.277 53.961 54.000 0.397 0.000 0.946 180 D CB 0.372 41.337 40.800 0.275 0.000 1.022 180 D HN 0.358 nan 8.370 nan 0.000 0.518 181 D N 3.812 124.502 120.400 0.485 0.000 2.608 181 D HA -0.017 4.615 4.640 -0.013 0.000 0.224 181 D C 1.100 177.552 176.300 0.254 0.000 1.123 181 D CA -0.579 53.610 54.000 0.316 0.000 1.030 181 D CB -0.118 40.872 40.800 0.317 0.000 1.093 181 D HN 0.561 nan 8.370 nan 0.000 0.497 182 W N 2.470 123.805 121.300 0.058 0.000 2.525 182 W HA -0.036 4.616 4.660 -0.013 0.000 0.259 182 W C 0.204 176.783 176.519 0.099 0.000 1.253 182 W CA 0.094 57.497 57.345 0.098 0.000 1.262 182 W CB -0.764 28.754 29.460 0.096 0.000 1.122 182 W HN 0.196 nan 8.180 nan 0.000 0.607 183 L N 1.075 121.953 121.223 -0.575 0.000 2.592 183 L HA 0.165 4.497 4.340 -0.013 0.000 0.227 183 L C 2.700 179.424 176.870 -0.243 0.000 1.127 183 L CA 0.049 54.529 54.840 -0.601 0.000 0.884 183 L CB -0.688 40.889 42.059 -0.803 0.000 1.065 183 L HN -0.106 nan 8.230 nan 0.000 0.457 184 R N 0.841 121.265 120.500 -0.126 0.000 2.134 184 R HA -0.246 4.086 4.340 -0.013 0.000 0.248 184 R C 1.316 177.455 176.300 -0.268 0.000 1.143 184 R CA 2.215 58.205 56.100 -0.184 0.000 0.957 184 R CB -0.287 29.905 30.300 -0.180 0.000 0.867 184 R HN 0.335 nan 8.270 nan 0.000 0.441 185 Y N -0.452 119.873 120.300 0.041 0.000 2.468 185 Y HA 0.360 4.903 4.550 -0.013 0.000 0.268 185 Y C 0.756 176.682 175.900 0.044 0.000 1.177 185 Y CA 0.201 58.347 58.100 0.075 0.000 1.265 185 Y CB 0.936 39.549 38.460 0.255 0.000 1.103 185 Y HN 0.439 nan 8.280 nan 0.000 0.522 186 G N 1.419 110.278 108.800 0.099 0.000 2.690 186 G HA2 -0.234 3.718 3.960 -0.013 0.000 0.686 186 G HA3 -0.234 3.718 3.960 -0.013 0.000 0.686 186 G C -1.259 173.717 174.900 0.126 0.000 1.277 186 G CA -0.878 44.241 45.100 0.032 0.000 0.799 186 G HN 0.248 nan 8.290 nan 0.000 0.613 187 N N 1.329 120.042 118.700 0.021 0.000 2.569 187 N HA 0.574 5.306 4.740 -0.013 0.000 0.254 187 N C -0.643 174.881 175.510 0.023 0.000 1.004 187 N CA -2.049 51.036 53.050 0.059 0.000 0.904 187 N CB 1.890 40.340 38.487 -0.061 0.000 1.165 187 N HN 0.243 nan 8.380 nan 0.000 0.513 188 P HA 0.007 nan 4.420 nan 0.000 0.230 188 P C 0.475 177.461 177.300 -0.522 0.000 1.158 188 P CA 0.730 63.561 63.100 -0.449 0.000 0.769 188 P CB 0.048 31.246 31.700 -0.836 0.000 0.807 189 W N 1.601 122.931 121.300 0.049 0.000 2.863 189 W HA 0.087 4.739 4.660 -0.013 0.000 0.258 189 W C 1.265 177.841 176.519 0.095 0.000 1.298 189 W CA -0.441 56.929 57.345 0.041 0.000 1.451 189 W CB -0.013 29.473 29.460 0.044 0.000 1.107 189 W HN 0.010 nan 8.180 nan 0.000 0.641 190 E N 1.589 121.968 120.200 0.298 0.000 2.280 190 E HA 0.409 4.751 4.350 -0.013 0.000 0.264 190 E C -0.641 176.131 176.600 0.286 0.000 1.064 190 E CA -0.869 55.718 56.400 0.312 0.000 0.900 190 E CB 1.440 31.332 29.700 0.319 0.000 1.123 190 E HN -0.291 nan 8.360 nan 0.000 0.418 191 K N 1.148 121.728 120.400 0.300 0.000 2.640 191 K HA 0.416 4.728 4.320 -0.013 0.000 0.245 191 K C -1.307 175.324 176.600 0.052 0.000 0.962 191 K CA -0.373 56.024 56.287 0.182 0.000 0.896 191 K CB 1.491 34.099 32.500 0.179 0.000 1.147 191 K HN 0.676 nan 8.250 nan 0.000 0.445 192 A N 4.392 127.167 122.820 -0.076 0.000 2.511 192 A HA 0.320 4.632 4.320 -0.013 0.000 0.242 192 A C -0.294 177.135 177.584 -0.258 0.000 1.069 192 A CA -0.025 51.728 52.037 -0.472 0.000 0.763 192 A CB 0.179 18.911 19.000 -0.447 0.000 1.001 192 A HN 0.734 nan 8.150 nan 0.000 0.498 193 R N 3.344 123.693 120.500 -0.253 0.000 2.651 193 R HA 0.194 4.526 4.340 -0.013 0.000 0.282 193 R C -2.429 173.851 176.300 -0.034 0.000 1.565 193 R CA -1.389 54.689 56.100 -0.036 0.000 1.661 193 R CB 1.078 31.493 30.300 0.192 0.000 1.189 193 R HN 0.517 nan 8.270 nan 0.000 0.621 194 P HA -0.176 nan 4.420 nan 0.000 0.222 194 P C 1.017 178.248 177.300 -0.116 0.000 1.147 194 P CA 1.066 64.120 63.100 -0.077 0.000 0.790 194 P CB 0.280 31.933 31.700 -0.079 0.000 0.780 195 E N -0.392 119.643 120.200 -0.275 0.000 2.472 195 E HA -0.118 4.224 4.350 -0.013 0.000 0.200 195 E C 0.535 176.770 176.600 -0.607 0.000 1.046 195 E CA 0.753 56.861 56.400 -0.487 0.000 0.871 195 E CB -0.843 28.425 29.700 -0.720 0.000 0.806 195 E HN 0.346 nan 8.360 nan 0.000 0.533 196 F N 1.323 121.287 119.950 0.023 0.000 2.698 196 F HA 0.232 4.751 4.527 -0.013 0.000 0.304 196 F C 0.500 176.392 175.800 0.153 0.000 1.108 196 F CA -0.633 57.412 58.000 0.075 0.000 1.263 196 F CB 0.746 39.786 39.000 0.067 0.000 1.013 196 F HN -0.279 nan 8.300 nan 0.000 0.532 197 T N 3.042 117.729 114.554 0.223 0.000 2.940 197 T HA 0.222 4.564 4.350 -0.013 0.000 0.309 197 T C -0.259 174.540 174.700 0.166 0.000 1.056 197 T CA 0.423 62.656 62.100 0.221 0.000 1.137 197 T CB 0.715 69.663 68.868 0.133 0.000 0.976 197 T HN -0.137 nan 8.240 nan 0.000 0.547 198 L N 5.268 126.559 121.223 0.113 0.000 2.354 198 L HA 0.605 4.937 4.340 -0.013 0.000 0.264 198 L C -2.259 174.566 176.870 -0.075 0.000 1.008 198 L CA -2.605 52.230 54.840 -0.009 0.000 0.819 198 L CB 1.920 43.907 42.059 -0.120 0.000 1.339 198 L HN 0.388 nan 8.230 nan 0.000 0.420 199 P HA 0.425 nan 4.420 nan 0.000 0.292 199 P C -1.261 175.900 177.300 -0.231 0.000 1.283 199 P CA -0.464 62.545 63.100 -0.151 0.000 0.835 199 P CB 1.842 33.447 31.700 -0.158 0.000 1.017 200 V N 3.941 123.707 119.914 -0.246 0.000 2.540 200 V HA 0.343 4.455 4.120 -0.013 0.000 0.302 200 V C 0.151 176.044 176.094 -0.335 0.000 1.035 200 V CA -0.602 61.546 62.300 -0.252 0.000 0.873 200 V CB 1.447 33.180 31.823 -0.150 0.000 0.992 200 V HN 0.604 nan 8.190 nan 0.000 0.428 201 H N 3.781 122.702 119.070 -0.248 0.000 2.479 201 H HA 0.630 5.179 4.556 -0.013 0.000 0.335 201 H C -1.332 173.729 175.328 -0.444 0.000 1.142 201 H CA -0.211 55.622 56.048 -0.358 0.000 1.234 201 H CB 2.009 31.316 29.762 -0.757 0.000 1.503 201 H HN 0.472 nan 8.280 nan 0.000 0.510 202 F N 0.039 120.058 119.950 0.115 0.000 2.613 202 F HA 0.208 4.728 4.527 -0.013 0.000 0.314 202 F C -0.275 175.660 175.800 0.225 0.000 1.075 202 F CA -0.523 57.550 58.000 0.122 0.000 0.945 202 F CB 1.092 40.078 39.000 -0.022 0.000 1.310 202 F HN 0.575 nan 8.300 nan 0.000 0.467 203 Y N 0.249 120.838 120.300 0.482 0.000 2.904 203 Y HA -0.011 4.531 4.550 -0.013 0.000 0.466 203 Y C 1.350 177.502 175.900 0.420 0.000 1.202 203 Y CA 0.676 58.985 58.100 0.347 0.000 2.492 203 Y CB -1.902 36.689 38.460 0.218 0.000 1.237 203 Y HN 1.288 nan 8.280 nan 0.000 0.633 204 G N 0.644 109.717 108.800 0.455 0.000 2.593 204 G HA2 0.125 4.077 3.960 -0.013 0.000 0.237 204 G HA3 0.125 4.077 3.960 -0.013 0.000 0.237 204 G C -0.600 174.510 174.900 0.350 0.000 1.312 204 G CA 0.863 46.149 45.100 0.311 0.000 0.896 204 G HN 1.393 nan 8.290 nan 0.000 0.574 205 R N -2.406 118.296 120.500 0.336 0.000 2.733 205 R HA 0.696 5.028 4.340 -0.013 0.000 0.272 205 R C -1.419 175.012 176.300 0.219 0.000 1.029 205 R CA -0.862 55.378 56.100 0.233 0.000 0.888 205 R CB 1.217 31.601 30.300 0.139 0.000 1.251 205 R HN 0.959 nan 8.270 nan 0.000 0.464 206 V N 0.872 120.829 119.914 0.072 0.000 2.427 206 V HA 0.377 4.489 4.120 -0.013 0.000 0.286 206 V C -0.200 175.824 176.094 -0.116 0.000 1.034 206 V CA -0.561 61.708 62.300 -0.051 0.000 0.893 206 V CB 1.423 33.136 31.823 -0.182 0.000 0.982 206 V HN 0.692 nan 8.190 nan 0.000 0.452 207 E N 2.886 122.993 120.200 -0.153 0.000 2.145 207 E HA 0.382 4.724 4.350 -0.013 0.000 0.270 207 E C -1.065 175.400 176.600 -0.225 0.000 0.906 207 E CA -0.697 55.632 56.400 -0.119 0.000 0.761 207 E CB 0.945 30.627 29.700 -0.031 0.000 1.116 207 E HN 0.671 nan 8.360 nan 0.000 0.408 208 H N 2.610 121.693 119.070 0.020 0.000 2.690 208 H HA 0.186 4.734 4.556 -0.013 0.000 0.289 208 H C -0.122 175.213 175.328 0.012 0.000 1.089 208 H CA -0.120 55.935 56.048 0.012 0.000 1.299 208 H CB 0.771 30.536 29.762 0.005 0.000 1.405 208 H HN 0.460 nan 8.280 nan 0.000 0.463 209 T N -0.406 114.202 114.554 0.091 0.000 2.887 209 T HA 0.240 4.582 4.350 -0.013 0.000 0.288 209 T C 1.356 176.088 174.700 0.054 0.000 1.021 209 T CA -0.281 61.856 62.100 0.061 0.000 1.000 209 T CB 1.818 70.706 68.868 0.033 0.000 1.034 209 T HN 0.464 nan 8.240 nan 0.000 0.467 210 S N 1.860 117.585 115.700 0.041 0.000 2.557 210 S HA -0.338 4.124 4.470 -0.013 0.000 0.344 210 S C 0.968 175.588 174.600 0.034 0.000 1.291 210 S CA 1.817 60.036 58.200 0.032 0.000 1.306 210 S CB -1.183 62.032 63.200 0.024 0.000 1.335 210 S HN 0.826 nan 8.310 nan 0.000 0.466 211 Q N 2.489 122.308 119.800 0.031 0.000 2.901 211 Q HA 0.584 4.917 4.340 -0.013 0.000 0.265 211 Q C 0.391 176.412 176.000 0.035 0.000 1.263 211 Q CA 0.748 56.569 55.803 0.031 0.000 1.088 211 Q CB 0.300 29.052 28.738 0.023 0.000 1.339 211 Q HN 0.870 nan 8.270 nan 0.000 0.546 212 G N 0.460 109.291 108.800 0.051 0.000 2.707 212 G HA2 0.102 4.054 3.960 -0.013 0.000 0.686 212 G HA3 0.102 4.054 3.960 -0.013 0.000 0.686 212 G C -0.621 174.311 174.900 0.054 0.000 1.315 212 G CA -0.669 44.466 45.100 0.059 0.000 0.832 212 G HN 0.668 nan 8.290 nan 0.000 0.573 213 A N 0.421 123.265 122.820 0.040 0.000 2.332 213 A HA 0.800 5.112 4.320 -0.013 0.000 0.258 213 A C 0.508 178.044 177.584 -0.080 0.000 1.087 213 A CA 0.489 52.472 52.037 -0.089 0.000 0.802 213 A CB 0.853 19.770 19.000 -0.138 0.000 1.042 213 A HN 0.922 nan 8.150 nan 0.000 0.489 214 K N 0.222 120.554 120.400 -0.113 0.000 2.535 214 K HA 0.196 4.508 4.320 -0.013 0.000 0.250 214 K C -2.005 174.622 176.600 0.045 0.000 0.948 214 K CA -0.387 55.885 56.287 -0.025 0.000 0.796 214 K CB 1.673 34.161 32.500 -0.020 0.000 1.216 214 K HN 0.723 nan 8.250 nan 0.000 0.432 215 W N 5.965 127.178 121.300 -0.144 0.000 2.342 215 W HA 0.336 4.988 4.660 -0.013 0.000 0.310 215 W C -0.651 175.801 176.519 -0.113 0.000 1.128 215 W CA -0.741 56.524 57.345 -0.133 0.000 1.322 215 W CB 0.160 29.527 29.460 -0.156 0.000 1.251 215 W HN 0.279 nan 8.180 nan 0.000 0.439 216 V N 2.760 122.733 119.914 0.098 0.000 3.158 216 V HA 0.603 4.715 4.120 -0.013 0.000 0.315 216 V C -0.154 175.916 176.094 -0.040 0.000 1.148 216 V CA -0.987 61.290 62.300 -0.039 0.000 1.042 216 V CB 1.888 33.714 31.823 0.005 0.000 1.101 216 V HN 0.461 nan 8.190 nan 0.000 0.448 217 D N 0.246 120.621 120.400 -0.042 0.000 2.708 217 D HA -0.142 4.491 4.640 -0.013 0.000 0.236 217 D C 0.522 176.821 176.300 -0.002 0.000 1.146 217 D CA 1.523 55.521 54.000 -0.004 0.000 0.662 217 D CB -1.762 39.059 40.800 0.035 0.000 1.059 217 D HN 1.317 nan 8.370 nan 0.000 0.428 218 T N -3.077 111.425 114.554 -0.087 0.000 2.913 218 T HA 0.371 4.713 4.350 -0.013 0.000 0.287 218 T C 0.254 174.996 174.700 0.070 0.000 1.008 218 T CA -0.874 61.185 62.100 -0.068 0.000 1.067 218 T CB 2.577 71.207 68.868 -0.397 0.000 0.996 218 T HN 0.203 nan 8.240 nan 0.000 0.513 219 Q N 1.439 121.346 119.800 0.178 0.000 2.243 219 Q HA 0.482 4.814 4.340 -0.013 0.000 0.252 219 Q C -1.343 174.749 176.000 0.153 0.000 0.909 219 Q CA -0.757 55.156 55.803 0.183 0.000 0.922 219 Q CB 1.112 30.023 28.738 0.289 0.000 1.215 219 Q HN 0.634 nan 8.270 nan 0.000 0.427 220 V N 4.249 124.197 119.914 0.056 0.000 2.483 220 V HA 0.477 4.589 4.120 -0.013 0.000 0.295 220 V C -0.419 175.707 176.094 0.053 0.000 1.035 220 V CA -0.605 61.665 62.300 -0.050 0.000 0.896 220 V CB 1.813 33.541 31.823 -0.158 0.000 0.986 220 V HN 0.636 nan 8.190 nan 0.000 0.447 221 V N 5.665 125.636 119.914 0.096 0.000 2.709 221 V HA 0.494 4.606 4.120 -0.013 0.000 0.308 221 V C -0.338 175.849 176.094 0.156 0.000 1.062 221 V CA -0.609 61.791 62.300 0.166 0.000 0.901 221 V CB 1.949 33.950 31.823 0.295 0.000 1.003 221 V HN 0.637 nan 8.190 nan 0.000 0.425 222 L N 3.350 124.666 121.223 0.155 0.000 2.357 222 L HA 0.805 5.138 4.340 -0.013 0.000 0.273 222 L C 0.420 177.476 176.870 0.311 0.000 1.080 222 L CA -0.435 54.499 54.840 0.157 0.000 0.803 222 L CB 1.449 43.577 42.059 0.115 0.000 1.174 222 L HN 0.760 nan 8.230 nan 0.000 0.443 223 A N 4.597 127.547 122.820 0.217 0.000 2.267 223 A HA 0.582 4.894 4.320 -0.013 0.000 0.315 223 A C -0.509 177.340 177.584 0.441 0.000 1.297 223 A CA -0.461 51.744 52.037 0.279 0.000 0.865 223 A CB 0.879 19.600 19.000 -0.465 0.000 1.165 223 A HN 0.783 nan 8.150 nan 0.000 0.513 224 M N 6.076 125.991 119.600 0.525 0.000 2.113 224 M HA 0.472 4.945 4.480 -0.013 0.000 0.352 224 M C -2.587 174.004 176.300 0.485 0.000 1.170 224 M CA -2.030 53.527 55.300 0.429 0.000 1.053 224 M CB 1.896 34.673 32.600 0.295 0.000 1.601 224 M HN 0.352 nan 8.290 nan 0.000 0.459 225 P HA 0.265 nan 4.420 nan 0.000 0.286 225 P C -1.958 175.300 177.300 -0.070 0.000 1.261 225 P CA -0.058 63.016 63.100 -0.043 0.000 0.821 225 P CB 0.623 32.068 31.700 -0.425 0.000 1.013 226 Y N 0.399 120.654 120.300 -0.075 0.000 2.338 226 Y HA 0.314 4.856 4.550 -0.013 0.000 0.333 226 Y C 0.055 175.946 175.900 -0.016 0.000 0.968 226 Y CA -0.294 57.811 58.100 0.009 0.000 1.123 226 Y CB 1.445 39.941 38.460 0.060 0.000 1.165 226 Y HN 0.212 nan 8.280 nan 0.000 0.452 227 D N 2.013 122.512 120.400 0.165 0.000 2.168 227 D HA 0.421 5.054 4.640 -0.013 0.000 0.246 227 D C -0.607 175.920 176.300 0.379 0.000 1.050 227 D CA -0.208 53.923 54.000 0.218 0.000 0.857 227 D CB 1.780 42.710 40.800 0.217 0.000 1.169 227 D HN 0.360 nan 8.370 nan 0.000 0.453 228 T N 3.134 117.833 114.554 0.241 0.000 2.824 228 T HA 0.467 4.809 4.350 -0.013 0.000 0.282 228 T C -2.536 172.043 174.700 -0.201 0.000 0.993 228 T CA -1.464 60.694 62.100 0.098 0.000 0.967 228 T CB 2.062 70.964 68.868 0.056 0.000 0.960 228 T HN 0.166 nan 8.240 nan 0.000 0.441 229 P HA 0.337 nan 4.420 nan 0.000 0.275 229 P C -1.020 175.949 177.300 -0.551 0.000 1.228 229 P CA -0.411 62.022 63.100 -1.112 0.000 0.786 229 P CB 0.818 31.601 31.700 -1.528 0.000 0.927 230 V N 4.722 124.359 119.914 -0.461 0.000 2.340 230 V HA 0.270 4.382 4.120 -0.013 0.000 0.277 230 V C -2.151 173.797 176.094 -0.243 0.000 1.017 230 V CA -1.854 60.276 62.300 -0.283 0.000 0.820 230 V CB 1.454 33.157 31.823 -0.199 0.000 1.028 230 V HN 0.546 nan 8.190 nan 0.000 0.436 231 P HA 0.300 nan 4.420 nan 0.000 0.285 231 P C 0.340 177.585 177.300 -0.093 0.000 1.259 231 P CA 0.272 63.275 63.100 -0.161 0.000 0.794 231 P CB 1.699 33.303 31.700 -0.161 0.000 0.940 232 G N 2.144 110.907 108.800 -0.061 0.000 2.599 232 G HA2 0.160 4.112 3.960 -0.013 0.000 0.264 232 G HA3 0.160 4.112 3.960 -0.013 0.000 0.264 232 G C -1.200 173.712 174.900 0.020 0.000 1.200 232 G CA -0.604 44.492 45.100 -0.008 0.000 0.896 232 G HN 0.517 nan 8.290 nan 0.000 0.536 233 Y N 0.480 120.741 120.300 -0.065 0.000 2.584 233 Y HA 0.266 4.808 4.550 -0.014 0.000 0.351 233 Y C 1.263 177.125 175.900 -0.063 0.000 1.030 233 Y CA -0.217 57.840 58.100 -0.071 0.000 1.332 233 Y CB 0.159 38.576 38.460 -0.071 0.000 1.148 233 Y HN 0.712 nan 8.280 nan 0.000 0.528 234 R N 2.753 122.940 120.500 -0.522 0.000 3.610 234 R HA -0.322 4.010 4.340 -0.013 0.000 0.274 234 R C 0.077 176.237 176.300 -0.234 0.000 1.123 234 R CA 1.527 57.349 56.100 -0.463 0.000 0.747 234 R CB -1.885 27.968 30.300 -0.746 0.000 1.149 234 R HN 0.945 nan 8.270 nan 0.000 0.471 235 N N -1.420 117.197 118.700 -0.138 0.000 2.177 235 N HA 0.069 4.801 4.740 -0.013 0.000 0.218 235 N C -0.184 175.282 175.510 -0.072 0.000 1.182 235 N CA -0.350 52.651 53.050 -0.081 0.000 0.882 235 N CB 0.529 38.995 38.487 -0.034 0.000 1.052 235 N HN 0.079 nan 8.380 nan 0.000 0.519 236 N N -0.234 118.417 118.700 -0.082 0.000 2.782 236 N HA -0.132 4.600 4.740 -0.013 0.000 0.251 236 N C -1.096 174.376 175.510 -0.063 0.000 1.101 236 N CA 0.542 53.551 53.050 -0.068 0.000 0.764 236 N CB -1.295 37.153 38.487 -0.064 0.000 1.122 236 N HN 0.199 nan 8.380 nan 0.000 0.561 237 V N 0.966 120.847 119.914 -0.056 0.000 2.481 237 V HA 0.507 4.619 4.120 -0.013 0.000 0.286 237 V C 0.494 176.550 176.094 -0.064 0.000 1.042 237 V CA -0.531 61.741 62.300 -0.046 0.000 0.928 237 V CB 2.273 34.097 31.823 0.002 0.000 0.986 237 V HN -0.055 nan 8.190 nan 0.000 0.462 238 V N 5.359 125.231 119.914 -0.071 0.000 2.462 238 V HA 0.429 4.541 4.120 -0.013 0.000 0.288 238 V C -0.134 175.902 176.094 -0.097 0.000 1.020 238 V CA -0.834 61.379 62.300 -0.146 0.000 0.857 238 V CB 1.496 33.202 31.823 -0.196 0.000 1.013 238 V HN 0.846 nan 8.190 nan 0.000 0.431 239 N N 1.962 120.592 118.700 -0.117 0.000 2.418 239 N HA 0.586 5.318 4.740 -0.013 0.000 0.283 239 N C -0.039 175.421 175.510 -0.084 0.000 1.267 239 N CA -0.266 52.743 53.050 -0.068 0.000 0.975 239 N CB 1.250 39.669 38.487 -0.114 0.000 1.167 239 N HN 0.578 nan 8.380 nan 0.000 0.581 240 T N 0.663 115.188 114.554 -0.049 0.000 2.863 240 T HA 0.425 4.767 4.350 -0.013 0.000 0.285 240 T C -0.302 174.351 174.700 -0.079 0.000 1.009 240 T CA -0.531 61.608 62.100 0.066 0.000 0.989 240 T CB 1.240 70.282 68.868 0.290 0.000 1.004 240 T HN 0.307 nan 8.240 nan 0.000 0.455 241 M N 3.526 123.056 119.600 -0.117 0.000 2.072 241 M HA 0.500 4.972 4.480 -0.013 0.000 0.331 241 M C -0.595 175.556 176.300 -0.248 0.000 1.004 241 M CA -0.755 54.387 55.300 -0.264 0.000 0.952 241 M CB 0.802 33.200 32.600 -0.337 0.000 1.511 241 M HN 0.500 nan 8.290 nan 0.000 0.422 242 R N 4.771 125.021 120.500 -0.417 0.000 2.229 242 R HA 0.545 4.877 4.340 -0.013 0.000 0.332 242 R C -1.942 174.099 176.300 -0.431 0.000 0.989 242 R CA -0.577 55.244 56.100 -0.465 0.000 0.842 242 R CB 0.876 30.731 30.300 -0.742 0.000 1.119 242 R HN 0.623 nan 8.270 nan 0.000 0.456 243 L N 5.712 126.780 121.223 -0.258 0.000 2.313 243 L HA 0.454 4.786 4.340 -0.013 0.000 0.283 243 L C -0.999 175.861 176.870 -0.017 0.000 1.013 243 L CA -0.644 54.144 54.840 -0.088 0.000 0.816 243 L CB 1.108 43.193 42.059 0.043 0.000 1.236 243 L HN 0.633 nan 8.230 nan 0.000 0.419 244 W N 2.309 123.739 121.300 0.217 0.000 2.316 244 W HA 0.575 5.227 4.660 -0.013 0.000 0.321 244 W C 0.620 177.372 176.519 0.389 0.000 1.203 244 W CA -0.243 57.252 57.345 0.250 0.000 1.214 244 W CB 1.294 30.759 29.460 0.009 0.000 1.169 244 W HN 0.429 nan 8.180 nan 0.000 0.561 245 S N 1.667 117.797 115.700 0.717 0.000 2.500 245 S HA 0.745 5.208 4.470 -0.013 0.000 0.301 245 S C -0.445 174.502 174.600 0.578 0.000 1.092 245 S CA -0.735 57.784 58.200 0.532 0.000 1.030 245 S CB 0.636 64.106 63.200 0.450 0.000 1.031 245 S HN 0.522 nan 8.310 nan 0.000 0.483 246 A N 4.781 127.775 122.820 0.290 0.000 2.366 246 A HA 0.646 4.958 4.320 -0.013 0.000 0.272 246 A C -0.126 177.541 177.584 0.139 0.000 1.135 246 A CA -0.173 51.921 52.037 0.094 0.000 0.804 246 A CB 0.299 19.087 19.000 -0.354 0.000 1.064 246 A HN 0.610 nan 8.150 nan 0.000 0.499 247 K N 0.995 121.497 120.400 0.169 0.000 2.427 247 K HA 0.634 4.946 4.320 -0.013 0.000 0.252 247 K C -0.502 176.154 176.600 0.093 0.000 0.931 247 K CA -0.382 55.982 56.287 0.128 0.000 0.793 247 K CB 2.216 34.808 32.500 0.153 0.000 1.211 247 K HN 0.832 nan 8.250 nan 0.000 0.426 248 A N 3.739 126.595 122.820 0.061 0.000 2.316 248 A HA 0.607 4.919 4.320 -0.013 0.000 0.284 248 A C -2.281 175.327 177.584 0.041 0.000 1.115 248 A CA -1.213 50.850 52.037 0.044 0.000 0.812 248 A CB -0.102 18.912 19.000 0.024 0.000 1.064 248 A HN 0.315 nan 8.150 nan 0.000 0.489 249 P HA 0.204 nan 4.420 nan 0.000 0.278 249 P C 0.061 177.373 177.300 0.021 0.000 1.238 249 P CA -0.532 62.583 63.100 0.026 0.000 0.794 249 P CB 0.575 32.285 31.700 0.017 0.000 0.955 250 N N 0.754 119.467 118.700 0.021 0.000 2.515 250 N HA -0.053 4.679 4.740 -0.013 0.000 0.185 250 N C 0.509 176.032 175.510 0.023 0.000 1.109 250 N CA 0.655 53.718 53.050 0.021 0.000 0.903 250 N CB -0.080 38.422 38.487 0.025 0.000 0.969 250 N HN 0.617 nan 8.380 nan 0.000 0.450 262 Y N 2.975 123.275 120.300 0.001 0.000 2.200 262 Y HA -0.037 4.505 4.550 -0.013 0.000 0.290 262 Y C 2.250 178.152 175.900 0.003 0.000 1.137 262 Y CA 1.783 59.884 58.100 0.002 0.000 1.163 262 Y CB 0.069 38.530 38.460 0.002 0.000 0.988 262 Y HN 0.391 nan 8.280 nan 0.000 0.518 263 I N 0.508 121.022 120.570 -0.092 0.000 2.113 263 I HA -0.297 3.865 4.170 -0.013 0.000 0.238 263 I C 2.401 178.414 176.117 -0.173 0.000 1.070 263 I CA 1.445 62.640 61.300 -0.176 0.000 1.332 263 I CB -1.498 36.502 38.000 -0.001 0.000 1.044 263 I HN 0.317 nan 8.210 nan 0.000 0.402 264 Q N 0.767 120.516 119.800 -0.086 0.000 2.112 264 Q HA -0.182 4.151 4.340 -0.013 0.000 0.206 264 Q C 2.341 178.286 176.000 -0.092 0.000 0.987 264 Q CA 2.210 57.973 55.803 -0.067 0.000 0.858 264 Q CB -0.566 28.153 28.738 -0.032 0.000 0.905 264 Q HN 0.556 nan 8.270 nan 0.000 0.420 265 A N -0.012 122.738 122.820 -0.118 0.000 1.908 265 A HA -0.165 4.147 4.320 -0.013 0.000 0.218 265 A C 2.196 179.692 177.584 -0.147 0.000 1.181 265 A CA 2.237 54.205 52.037 -0.115 0.000 0.627 265 A CB -0.885 18.053 19.000 -0.104 0.000 0.818 265 A HN 0.354 nan 8.150 nan 0.000 0.445 266 V N -1.956 117.810 119.914 -0.246 0.000 2.719 266 V HA -0.022 4.090 4.120 -0.013 0.000 0.252 266 V C 2.074 178.095 176.094 -0.122 0.000 1.065 266 V CA 1.608 63.786 62.300 -0.202 0.000 1.086 266 V CB -0.629 31.016 31.823 -0.297 0.000 0.700 266 V HN 0.445 nan 8.190 nan 0.000 0.467 267 L N 0.158 121.313 121.223 -0.113 0.000 2.201 267 L HA -0.023 4.309 4.340 -0.013 0.000 0.212 267 L C 1.961 178.803 176.870 -0.046 0.000 1.105 267 L CA 1.491 56.291 54.840 -0.066 0.000 0.775 267 L CB -0.644 41.382 42.059 -0.055 0.000 0.913 267 L HN 0.323 nan 8.230 nan 0.000 0.440 268 D N -0.187 120.182 120.400 -0.052 0.000 2.349 268 D HA -0.034 4.598 4.640 -0.013 0.000 0.224 268 D C 2.053 178.336 176.300 -0.028 0.000 1.029 268 D CA 0.314 54.292 54.000 -0.036 0.000 0.879 268 D CB 0.117 40.895 40.800 -0.036 0.000 0.906 268 D HN 0.203 nan 8.370 nan 0.000 0.528 269 R N 0.316 120.797 120.500 -0.031 0.000 2.115 269 R HA -0.008 4.324 4.340 -0.013 0.000 0.230 269 R C 1.489 177.785 176.300 -0.007 0.000 1.111 269 R CA 0.555 56.645 56.100 -0.018 0.000 0.976 269 R CB -0.054 30.235 30.300 -0.017 0.000 0.870 269 R HN 0.126 nan 8.270 nan 0.000 0.445 270 N N 0.714 119.410 118.700 -0.007 0.000 2.430 270 N HA -0.131 4.601 4.740 -0.013 0.000 0.186 270 N C 1.388 176.897 175.510 -0.002 0.000 1.032 270 N CA 0.899 53.951 53.050 0.003 0.000 0.893 270 N CB 0.027 38.518 38.487 0.007 0.000 0.957 270 N HN 0.102 nan 8.380 nan 0.000 0.442 271 L N 0.708 121.925 121.223 -0.010 0.000 2.109 271 L HA 0.003 4.335 4.340 -0.013 0.000 0.207 271 L C 2.313 179.165 176.870 -0.029 0.000 1.086 271 L CA 1.004 55.835 54.840 -0.015 0.000 0.760 271 L CB -0.942 41.108 42.059 -0.015 0.000 0.910 271 L HN 0.068 nan 8.230 nan 0.000 0.437 272 A N -0.877 121.927 122.820 -0.026 0.000 1.930 272 A HA -0.100 4.212 4.320 -0.013 0.000 0.215 272 A C 2.048 179.592 177.584 -0.066 0.000 1.176 272 A CA 0.890 52.901 52.037 -0.043 0.000 0.632 272 A CB -0.317 18.679 19.000 -0.006 0.000 0.819 272 A HN 0.484 nan 8.150 nan 0.000 0.445 273 E N 0.212 120.394 120.200 -0.030 0.000 2.502 273 E HA -0.045 4.297 4.350 -0.013 0.000 0.194 273 E C 0.761 177.352 176.600 -0.015 0.000 1.062 273 E CA 0.030 56.417 56.400 -0.021 0.000 0.867 273 E CB -0.110 29.602 29.700 0.020 0.000 0.888 273 E HN 0.425 nan 8.360 nan 0.000 0.510 274 N N 0.959 119.648 118.700 -0.018 0.000 2.459 274 N HA -0.032 4.700 4.740 -0.013 0.000 0.181 274 N C 1.581 177.094 175.510 0.006 0.000 1.046 274 N CA 0.475 53.533 53.050 0.013 0.000 0.904 274 N CB 0.048 38.541 38.487 0.010 0.000 0.964 274 N HN 0.254 nan 8.380 nan 0.000 0.444 275 I N 0.317 120.834 120.570 -0.088 0.000 2.208 275 I HA -0.244 3.918 4.170 -0.013 0.000 0.245 275 I C 1.425 177.520 176.117 -0.038 0.000 1.097 275 I CA 1.241 62.458 61.300 -0.138 0.000 1.363 275 I CB -0.150 37.595 38.000 -0.424 0.000 1.051 275 I HN 0.125 nan 8.210 nan 0.000 0.413 276 S N -0.439 115.232 115.700 -0.048 0.000 2.583 276 S HA 0.167 4.629 4.470 -0.013 0.000 0.239 276 S C 1.479 176.222 174.600 0.238 0.000 0.966 276 S CA -0.525 57.736 58.200 0.102 0.000 0.973 276 S CB 0.197 63.441 63.200 0.074 0.000 0.794 276 S HN 0.219 nan 8.310 nan 0.000 0.463 277 R N 1.263 121.901 120.500 0.229 0.000 2.062 277 R HA 0.249 4.581 4.340 -0.013 0.000 0.229 277 R C 0.449 177.000 176.300 0.418 0.000 1.128 277 R CA 1.239 57.515 56.100 0.294 0.000 0.960 277 R CB -0.225 30.207 30.300 0.221 0.000 0.855 277 R HN 0.401 nan 8.270 nan 0.000 0.432 278 V N 0.268 120.374 119.914 0.321 0.000 2.932 278 V HA 0.366 4.478 4.120 -0.013 0.000 0.307 278 V C -1.528 174.482 176.094 -0.139 0.000 1.147 278 V CA -1.393 61.012 62.300 0.175 0.000 0.951 278 V CB 1.782 33.632 31.823 0.045 0.000 1.031 278 V HN 0.181 nan 8.190 nan 0.000 0.426 279 L N 6.354 127.279 121.223 -0.496 0.000 2.410 279 L HA 0.453 4.785 4.340 -0.013 0.000 0.273 279 L C -0.888 175.780 176.870 -0.338 0.000 1.152 279 L CA 0.455 54.787 54.840 -0.848 0.000 0.855 279 L CB 0.478 42.030 42.059 -0.846 0.000 1.129 279 L HN 0.700 nan 8.230 nan 0.000 0.463 280 Y N 7.071 127.262 120.300 -0.181 0.000 2.496 280 Y HA 0.214 4.756 4.550 -0.013 0.000 0.334 280 Y C -1.301 174.583 175.900 -0.026 0.000 1.080 280 Y CA -1.105 56.968 58.100 -0.046 0.000 1.355 280 Y CB 0.532 38.988 38.460 -0.006 0.000 1.193 280 Y HN 0.599 nan 8.280 nan 0.000 0.523 281 P HA -0.056 nan 4.420 nan 0.000 0.253 281 P C -0.223 177.209 177.300 0.220 0.000 1.260 281 P CA 0.273 63.481 63.100 0.180 0.000 0.800 281 P CB 0.236 32.133 31.700 0.327 0.000 1.162 282 N N 1.545 120.379 118.700 0.223 0.000 2.416 282 N HA -0.019 4.713 4.740 -0.013 0.000 0.265 282 N C 0.539 176.169 175.510 0.200 0.000 1.195 282 N CA 0.417 53.591 53.050 0.206 0.000 0.943 282 N CB 0.381 38.975 38.487 0.177 0.000 1.115 282 N HN -0.135 nan 8.380 nan 0.000 0.481 283 D N 1.744 122.294 120.400 0.250 0.000 2.262 283 D HA -0.038 4.594 4.640 -0.013 0.000 0.212 283 D C 1.395 177.932 176.300 0.395 0.000 0.964 283 D CA 0.827 55.029 54.000 0.336 0.000 0.875 283 D CB 0.403 41.476 40.800 0.455 0.000 0.996 283 D HN 0.698 nan 8.370 nan 0.000 0.497 284 N N -0.857 118.054 118.700 0.352 0.000 2.508 284 N HA -0.052 4.680 4.740 -0.013 0.000 0.186 284 N C 0.116 175.766 175.510 0.233 0.000 1.034 284 N CA -0.011 53.214 53.050 0.292 0.000 0.885 284 N CB -0.238 38.331 38.487 0.136 0.000 1.135 284 N HN 0.012 nan 8.380 nan 0.000 0.435 285 F N 1.286 121.223 119.950 -0.022 0.000 2.421 285 F HA 0.454 4.973 4.527 -0.013 0.000 0.337 285 F C -0.637 175.191 175.800 0.047 0.000 1.105 285 F CA -2.171 55.826 58.000 -0.005 0.000 1.049 285 F CB 1.013 39.971 39.000 -0.071 0.000 1.139 285 F HN -0.048 nan 8.300 nan 0.000 0.479 286 F N 5.919 125.475 119.950 -0.656 0.000 2.444 286 F HA 0.242 4.761 4.527 -0.013 0.000 0.360 286 F C 1.039 176.451 175.800 -0.645 0.000 1.106 286 F CA 0.075 57.740 58.000 -0.559 0.000 1.170 286 F CB 0.584 39.259 39.000 -0.541 0.000 1.113 286 F HN 0.700 nan 8.300 nan 0.000 0.521 287 E N 3.760 123.402 120.200 -0.931 0.000 2.042 287 E HA 0.108 4.450 4.350 -0.013 0.000 0.189 287 E C 1.250 177.220 176.600 -1.051 0.000 0.974 287 E CA 0.763 56.728 56.400 -0.725 0.000 0.806 287 E CB -0.117 29.386 29.700 -0.329 0.000 0.769 287 E HN 1.018 nan 8.360 nan 0.000 0.451 288 G N 2.079 110.004 108.800 -1.457 0.000 2.255 288 G HA2 -0.163 3.789 3.960 -0.013 0.000 0.239 288 G HA3 -0.163 3.789 3.960 -0.013 0.000 0.239 288 G C -0.287 174.499 174.900 -0.190 0.000 1.083 288 G CA -0.157 44.271 45.100 -1.120 0.000 0.826 288 G HN -0.093 nan 8.290 nan 0.000 0.493 289 K N 0.272 120.603 120.400 -0.114 0.000 2.185 289 K HA 0.311 4.623 4.320 -0.013 0.000 0.271 289 K C 1.204 177.905 176.600 0.169 0.000 1.013 289 K CA -0.502 55.812 56.287 0.045 0.000 0.943 289 K CB 1.465 33.974 32.500 0.014 0.000 0.998 289 K HN 0.429 nan 8.250 nan 0.000 0.468 290 E N 1.500 121.773 120.200 0.122 0.000 2.110 290 E HA -0.187 4.155 4.350 -0.013 0.000 0.193 290 E C 1.498 178.111 176.600 0.022 0.000 0.988 290 E CA 0.747 57.180 56.400 0.054 0.000 0.804 290 E CB 0.172 29.906 29.700 0.057 0.000 0.745 290 E HN 0.396 nan 8.360 nan 0.000 0.458 291 L N 1.386 122.662 121.223 0.088 0.000 2.083 291 L HA -0.164 4.168 4.340 -0.013 0.000 0.209 291 L C 2.438 179.394 176.870 0.144 0.000 1.083 291 L CA 1.794 56.710 54.840 0.127 0.000 0.752 291 L CB -0.504 41.704 42.059 0.248 0.000 0.899 291 L HN 0.005 nan 8.230 nan 0.000 0.433 292 R N -0.764 119.765 120.500 0.047 0.000 2.092 292 R HA -0.134 4.198 4.340 -0.013 0.000 0.231 292 R C 2.086 178.433 176.300 0.078 0.000 1.119 292 R CA 1.630 57.709 56.100 -0.034 0.000 0.970 292 R CB -0.868 29.204 30.300 -0.380 0.000 0.864 292 R HN 0.397 nan 8.270 nan 0.000 0.440 293 L N 0.861 122.043 121.223 -0.069 0.000 2.083 293 L HA -0.039 4.293 4.340 -0.013 0.000 0.209 293 L C 1.638 178.459 176.870 -0.082 0.000 1.083 293 L CA 1.876 56.477 54.840 -0.399 0.000 0.752 293 L CB -0.418 41.086 42.059 -0.924 0.000 0.899 293 L HN 0.147 nan 8.230 nan 0.000 0.433 294 K N -0.998 119.399 120.400 -0.004 0.000 2.057 294 K HA -0.176 4.136 4.320 -0.013 0.000 0.207 294 K C 2.098 178.867 176.600 0.282 0.000 1.049 294 K CA 1.708 58.066 56.287 0.118 0.000 0.931 294 K CB -0.153 32.232 32.500 -0.191 0.000 0.714 294 K HN 0.489 nan 8.250 nan 0.000 0.440 295 Q N 0.516 120.447 119.800 0.219 0.000 2.084 295 Q HA -0.197 4.135 4.340 -0.013 0.000 0.202 295 Q C 1.915 178.122 176.000 0.345 0.000 0.978 295 Q CA 1.455 57.446 55.803 0.313 0.000 0.844 295 Q CB -0.004 28.941 28.738 0.344 0.000 0.898 295 Q HN 0.387 nan 8.270 nan 0.000 0.426 296 E N -0.259 120.097 120.200 0.260 0.000 2.072 296 E HA -0.199 4.143 4.350 -0.013 0.000 0.191 296 E C 1.707 178.424 176.600 0.194 0.000 0.985 296 E CA 0.944 57.477 56.400 0.223 0.000 0.801 296 E CB -0.106 29.704 29.700 0.183 0.000 0.750 296 E HN 0.314 nan 8.360 nan 0.000 0.452 297 Y N 0.321 120.671 120.300 0.084 0.000 2.263 297 Y HA -0.189 4.353 4.550 -0.013 0.000 0.292 297 Y C 1.908 177.836 175.900 0.048 0.000 1.130 297 Y CA 0.864 58.959 58.100 -0.009 0.000 1.179 297 Y CB -0.330 38.084 38.460 -0.078 0.000 0.998 297 Y HN 0.012 nan 8.280 nan 0.000 0.532 298 F N -0.265 119.675 119.950 -0.016 0.000 2.043 298 F HA -0.250 4.269 4.527 -0.013 0.000 0.297 298 F C 2.510 178.161 175.800 -0.249 0.000 1.121 298 F CA 2.096 60.043 58.000 -0.087 0.000 1.199 298 F CB -1.134 37.963 39.000 0.162 0.000 0.968 298 F HN -0.080 nan 8.300 nan 0.000 0.478 299 V N -0.394 119.466 119.914 -0.090 0.000 2.407 299 V HA -0.204 3.908 4.120 -0.013 0.000 0.248 299 V C 2.175 178.115 176.094 -0.257 0.000 1.055 299 V CA 1.918 64.126 62.300 -0.152 0.000 1.049 299 V CB -0.395 31.552 31.823 0.206 0.000 0.662 299 V HN 0.276 nan 8.190 nan 0.000 0.455 300 V N 0.369 120.142 119.914 -0.236 0.000 2.307 300 V HA -0.155 3.957 4.120 -0.013 0.000 0.245 300 V C 2.804 178.641 176.094 -0.427 0.000 1.045 300 V CA 2.061 64.211 62.300 -0.249 0.000 1.024 300 V CB -1.063 30.676 31.823 -0.141 0.000 0.651 300 V HN 0.638 nan 8.190 nan 0.000 0.449 301 A N -0.107 122.286 122.820 -0.711 0.000 1.877 301 A HA -0.112 4.200 4.320 -0.013 0.000 0.216 301 A C 2.391 179.600 177.584 -0.624 0.000 1.186 301 A CA 2.156 53.761 52.037 -0.720 0.000 0.620 301 A CB -0.788 17.543 19.000 -1.116 0.000 0.822 301 A HN 0.562 nan 8.150 nan 0.000 0.443 302 A N -1.145 121.140 122.820 -0.892 0.000 1.898 302 A HA -0.039 4.273 4.320 -0.013 0.000 0.216 302 A C 2.302 179.396 177.584 -0.817 0.000 1.181 302 A CA 2.189 53.526 52.037 -1.167 0.000 0.620 302 A CB -1.241 16.393 19.000 -2.277 0.000 0.819 302 A HN 0.421 nan 8.150 nan 0.000 0.442 303 T N 0.558 114.761 114.554 -0.584 0.000 2.708 303 T HA -0.101 4.241 4.350 -0.013 0.000 0.266 303 T C 1.812 176.248 174.700 -0.441 0.000 1.037 303 T CA 1.451 63.322 62.100 -0.382 0.000 1.146 303 T CB -0.373 68.262 68.868 -0.388 0.000 0.865 303 T HN 0.341 nan 8.240 nan 0.000 0.435 304 L N 0.630 121.643 121.223 -0.349 0.000 2.083 304 L HA -0.144 4.188 4.340 -0.013 0.000 0.209 304 L C 2.922 179.683 176.870 -0.182 0.000 1.083 304 L CA 1.366 56.054 54.840 -0.253 0.000 0.752 304 L CB -0.517 41.432 42.059 -0.184 0.000 0.899 304 L HN 0.361 nan 8.230 nan 0.000 0.433 305 Q N -0.470 119.222 119.800 -0.181 0.000 2.084 305 Q HA -0.252 4.080 4.340 -0.013 0.000 0.202 305 Q C 1.810 177.785 176.000 -0.041 0.000 0.978 305 Q CA 1.758 57.505 55.803 -0.093 0.000 0.844 305 Q CB -0.112 28.559 28.738 -0.112 0.000 0.898 305 Q HN 0.384 nan 8.270 nan 0.000 0.426 306 D N 0.518 120.888 120.400 -0.049 0.000 2.117 306 D HA -0.120 4.512 4.640 -0.013 0.000 0.197 306 D C 1.678 177.937 176.300 -0.069 0.000 0.987 306 D CA 0.926 54.942 54.000 0.027 0.000 0.829 306 D CB -0.050 40.857 40.800 0.179 0.000 0.961 306 D HN 0.174 nan 8.370 nan 0.000 0.460 307 I N 0.111 120.538 120.570 -0.238 0.000 2.179 307 I HA -0.228 3.934 4.170 -0.013 0.000 0.242 307 I C 2.322 178.455 176.117 0.027 0.000 1.088 307 I CA 0.731 61.836 61.300 -0.325 0.000 1.357 307 I CB -0.116 37.531 38.000 -0.589 0.000 1.051 307 I HN 0.036 nan 8.210 nan 0.000 0.409 308 I N 0.283 120.922 120.570 0.114 0.000 2.315 308 I HA -0.271 3.892 4.170 -0.013 0.000 0.248 308 I C 2.772 179.055 176.117 0.276 0.000 1.117 308 I CA 1.032 62.515 61.300 0.304 0.000 1.404 308 I CB -0.407 37.724 38.000 0.219 0.000 1.071 308 I HN 0.221 nan 8.210 nan 0.000 0.419 309 R N 1.409 122.001 120.500 0.152 0.000 2.073 309 R HA -0.219 4.113 4.340 -0.013 0.000 0.234 309 R C 2.489 178.862 176.300 0.122 0.000 1.134 309 R CA 1.716 57.891 56.100 0.124 0.000 0.952 309 R CB -0.302 30.055 30.300 0.095 0.000 0.850 309 R HN 0.188 nan 8.270 nan 0.000 0.433 310 R N -0.569 120.001 120.500 0.116 0.000 2.120 310 R HA -0.173 4.159 4.340 -0.013 0.000 0.234 310 R C 2.138 178.535 176.300 0.162 0.000 1.123 310 R CA 1.685 57.855 56.100 0.117 0.000 0.975 310 R CB -0.360 29.996 30.300 0.094 0.000 0.866 310 R HN 0.316 nan 8.270 nan 0.000 0.446 311 F N 1.561 121.554 119.950 0.072 0.000 2.146 311 F HA -0.077 4.442 4.527 -0.013 0.000 0.298 311 F C 1.612 177.426 175.800 0.023 0.000 1.096 311 F CA 1.397 59.434 58.000 0.062 0.000 1.275 311 F CB -0.032 39.066 39.000 0.164 0.000 1.008 311 F HN -0.158 nan 8.300 nan 0.000 0.480 312 K N 0.013 120.354 120.400 -0.098 0.000 2.360 312 K HA -0.093 4.219 4.320 -0.013 0.000 0.201 312 K C 2.099 178.585 176.600 -0.190 0.000 1.046 312 K CA 1.221 57.372 56.287 -0.227 0.000 0.945 312 K CB -0.235 32.257 32.500 -0.012 0.000 0.750 312 K HN 0.287 nan 8.250 nan 0.000 0.464 313 S N 0.455 116.100 115.700 -0.092 0.000 2.355 313 S HA -0.025 4.437 4.470 -0.013 0.000 0.216 313 S C 0.854 175.419 174.600 -0.058 0.000 1.037 313 S CA -0.078 58.115 58.200 -0.012 0.000 0.955 313 S CB 0.013 63.275 63.200 0.102 0.000 0.877 313 S HN 0.242 nan 8.310 nan 0.000 0.488 325 N N 1.277 119.986 118.700 0.015 0.000 2.462 325 N HA 0.414 5.146 4.740 -0.013 0.000 0.242 325 N C 0.197 175.791 175.510 0.140 0.000 1.010 325 N CA -0.619 52.497 53.050 0.110 0.000 0.939 325 N CB 0.456 38.994 38.487 0.085 0.000 1.127 325 N HN 0.419 nan 8.380 nan 0.000 0.509 326 F N 0.660 120.716 119.950 0.178 0.000 2.816 326 F HA -0.014 4.505 4.527 -0.013 0.000 0.302 326 F C 1.639 177.513 175.800 0.124 0.000 1.178 326 F CA 0.206 58.300 58.000 0.157 0.000 1.421 326 F CB 0.185 39.155 39.000 -0.050 0.000 1.114 326 F HN 0.532 nan 8.300 nan 0.000 0.573 327 D N 0.393 120.935 120.400 0.236 0.000 2.178 327 D HA -0.150 4.482 4.640 -0.013 0.000 0.201 327 D C 2.148 178.536 176.300 0.147 0.000 0.980 327 D CA 1.289 55.384 54.000 0.158 0.000 0.842 327 D CB 0.005 40.874 40.800 0.115 0.000 0.948 327 D HN 0.321 nan 8.370 nan 0.000 0.472 328 A N -0.320 122.610 122.820 0.184 0.000 2.275 328 A HA 0.077 4.389 4.320 -0.013 0.000 0.212 328 A C 1.610 179.285 177.584 0.152 0.000 1.201 328 A CA -0.364 51.773 52.037 0.168 0.000 0.843 328 A CB -0.637 18.474 19.000 0.185 0.000 0.873 328 A HN 0.124 nan 8.150 nan 0.000 0.492 329 F N 1.940 121.826 119.950 -0.107 0.000 2.069 329 F HA -0.127 4.392 4.527 -0.013 0.000 0.298 329 F C -0.739 174.930 175.800 -0.218 0.000 1.113 329 F CA 2.473 60.201 58.000 -0.454 0.000 1.214 329 F CB -0.487 38.284 39.000 -0.383 0.000 0.978 329 F HN 0.206 nan 8.300 nan 0.000 0.474 330 P HA -0.110 nan 4.420 nan 0.000 0.222 330 P C 0.695 177.930 177.300 -0.108 0.000 1.147 330 P CA 1.493 64.534 63.100 -0.098 0.000 0.790 330 P CB -0.074 31.608 31.700 -0.029 0.000 0.780 331 D N -1.003 119.358 120.400 -0.066 0.000 2.347 331 D HA -0.022 4.610 4.640 -0.013 0.000 0.213 331 D C 1.510 177.783 176.300 -0.045 0.000 0.985 331 D CA 0.842 54.822 54.000 -0.034 0.000 0.879 331 D CB 0.144 40.948 40.800 0.007 0.000 0.919 331 D HN 0.130 nan 8.370 nan 0.000 0.526 332 K N -0.139 120.202 120.400 -0.098 0.000 2.412 332 K HA 0.209 4.522 4.320 -0.013 0.000 0.202 332 K C -0.068 176.426 176.600 -0.177 0.000 1.102 332 K CA 0.088 56.331 56.287 -0.072 0.000 1.027 332 K CB 2.352 34.914 32.500 0.103 0.000 0.931 332 K HN -0.075 nan 8.250 nan 0.000 0.557 333 V N 0.916 120.620 119.914 -0.351 0.000 2.709 333 V HA 0.661 4.773 4.120 -0.013 0.000 0.308 333 V C -1.175 174.804 176.094 -0.192 0.000 1.062 333 V CA -1.245 60.853 62.300 -0.335 0.000 0.901 333 V CB 1.901 33.226 31.823 -0.830 0.000 1.003 333 V HN 0.111 nan 8.190 nan 0.000 0.425 334 A N 5.443 128.218 122.820 -0.074 0.000 2.353 334 A HA 0.902 5.214 4.320 -0.013 0.000 0.299 334 A C -1.078 176.519 177.584 0.022 0.000 1.089 334 A CA -0.383 51.636 52.037 -0.031 0.000 0.736 334 A CB 0.964 19.884 19.000 -0.133 0.000 1.195 334 A HN 0.759 nan 8.150 nan 0.000 0.447 335 I N 2.031 122.665 120.570 0.106 0.000 2.382 335 I HA 0.293 4.455 4.170 -0.013 0.000 0.285 335 I C -0.225 175.987 176.117 0.159 0.000 1.007 335 I CA -0.511 60.871 61.300 0.137 0.000 1.142 335 I CB 1.887 39.953 38.000 0.111 0.000 1.289 335 I HN 0.702 nan 8.210 nan 0.000 0.453 336 Q N 6.953 126.848 119.800 0.158 0.000 2.303 336 Q HA 0.500 4.832 4.340 -0.013 0.000 0.257 336 Q C -1.313 174.702 176.000 0.025 0.000 0.941 336 Q CA -0.227 55.706 55.803 0.217 0.000 0.931 336 Q CB 1.199 30.190 28.738 0.422 0.000 1.215 336 Q HN 0.569 nan 8.270 nan 0.000 0.437 337 L N 3.787 125.058 121.223 0.080 0.000 2.260 337 L HA 0.397 4.729 4.340 -0.013 0.000 0.289 337 L C 0.117 177.013 176.870 0.044 0.000 1.057 337 L CA -0.744 54.126 54.840 0.050 0.000 0.811 337 L CB 0.654 42.788 42.059 0.125 0.000 1.184 337 L HN 0.558 nan 8.230 nan 0.000 0.429 338 N N 4.525 123.167 118.700 -0.096 0.000 2.508 338 N HA 0.055 4.787 4.740 -0.013 0.000 0.253 338 N C -0.180 175.357 175.510 0.045 0.000 1.145 338 N CA 0.562 53.608 53.050 -0.006 0.000 0.973 338 N CB -0.202 38.196 38.487 -0.149 0.000 1.305 338 N HN 0.648 nan 8.380 nan 0.000 0.506 339 D N -0.406 120.110 120.400 0.193 0.000 4.259 339 D HA -0.219 4.413 4.640 -0.013 0.000 0.290 339 D C 0.371 176.754 176.300 0.138 0.000 2.199 339 D CA 1.433 55.532 54.000 0.165 0.000 1.194 339 D CB -0.548 40.084 40.800 -0.280 0.000 1.003 339 D HN 0.480 nan 8.370 nan 0.000 1.204 340 T N -2.364 112.196 114.554 0.011 0.000 3.129 340 T HA 0.087 4.430 4.350 -0.013 0.000 0.251 340 T C 1.648 176.416 174.700 0.113 0.000 1.117 340 T CA 1.551 63.643 62.100 -0.013 0.000 1.034 340 T CB -0.499 68.334 68.868 -0.058 0.000 0.968 340 T HN 0.500 nan 8.240 nan 0.000 0.526 341 H N 2.642 121.797 119.070 0.142 0.000 2.353 341 H HA -0.014 4.534 4.556 -0.013 0.000 0.298 341 H C -0.834 174.584 175.328 0.149 0.000 1.103 341 H CA 1.112 57.260 56.048 0.168 0.000 1.293 341 H CB -0.890 28.970 29.762 0.162 0.000 1.372 341 H HN 0.448 nan 8.280 nan 0.000 0.501 342 P HA 0.071 nan 4.420 nan 0.000 0.259 342 P C 0.823 178.170 177.300 0.078 0.000 1.530 342 P CA 0.382 63.565 63.100 0.137 0.000 1.022 342 P CB 0.342 32.111 31.700 0.116 0.000 1.514 343 S N -0.225 115.515 115.700 0.067 0.000 2.440 343 S HA -0.120 4.342 4.470 -0.013 0.000 0.238 343 S C 1.723 176.329 174.600 0.009 0.000 1.010 343 S CA 0.751 58.952 58.200 0.002 0.000 0.972 343 S CB -1.469 61.706 63.200 -0.041 0.000 0.774 343 S HN 0.143 nan 8.310 nan 0.000 0.501 344 L N 0.904 122.146 121.223 0.031 0.000 2.549 344 L HA 0.042 4.374 4.340 -0.013 0.000 0.229 344 L C 2.908 179.809 176.870 0.052 0.000 1.158 344 L CA 0.604 55.460 54.840 0.026 0.000 0.842 344 L CB -0.706 41.365 42.059 0.020 0.000 0.952 344 L HN 0.487 nan 8.230 nan 0.000 0.452 345 A N 0.491 123.327 122.820 0.027 0.000 1.972 345 A HA -0.192 4.120 4.320 -0.013 0.000 0.219 345 A C 2.165 179.752 177.584 0.005 0.000 1.169 345 A CA 1.450 53.491 52.037 0.006 0.000 0.635 345 A CB -0.426 18.571 19.000 -0.005 0.000 0.810 345 A HN 0.354 nan 8.150 nan 0.000 0.446 346 I N 0.318 120.891 120.570 0.006 0.000 2.113 346 I HA -0.148 4.015 4.170 -0.013 0.000 0.238 346 I C -0.381 175.756 176.117 0.033 0.000 1.070 346 I CA 1.627 62.928 61.300 0.002 0.000 1.332 346 I CB -0.888 37.116 38.000 0.007 0.000 1.044 346 I HN 0.240 nan 8.210 nan 0.000 0.402 347 P HA -0.174 nan 4.420 nan 0.000 0.221 347 P C 1.253 178.588 177.300 0.059 0.000 1.150 347 P CA 1.484 64.627 63.100 0.072 0.000 0.800 347 P CB 0.022 31.783 31.700 0.102 0.000 0.787 348 E N 0.069 120.354 120.200 0.143 0.000 2.152 348 E HA -0.121 4.221 4.350 -0.013 0.000 0.192 348 E C 1.872 178.466 176.600 -0.009 0.000 0.983 348 E CA 0.490 56.991 56.400 0.167 0.000 0.818 348 E CB -1.118 28.727 29.700 0.242 0.000 0.758 348 E HN -0.004 nan 8.360 nan 0.000 0.467 349 L N -0.027 121.161 121.223 -0.059 0.000 2.093 349 L HA -0.048 4.284 4.340 -0.013 0.000 0.208 349 L C 1.993 178.734 176.870 -0.214 0.000 1.085 349 L CA 1.636 56.386 54.840 -0.149 0.000 0.755 349 L CB -0.490 41.483 42.059 -0.143 0.000 0.904 349 L HN 0.223 nan 8.230 nan 0.000 0.435 350 M N -0.773 118.713 119.600 -0.189 0.000 2.086 350 M HA -0.192 4.280 4.480 -0.013 0.000 0.261 350 M C 2.425 178.571 176.300 -0.256 0.000 1.067 350 M CA 1.502 56.637 55.300 -0.275 0.000 1.116 350 M CB -1.142 31.277 32.600 -0.302 0.000 1.348 350 M HN 0.318 nan 8.290 nan 0.000 0.407 351 R N 0.033 120.409 120.500 -0.207 0.000 2.094 351 R HA -0.155 4.177 4.340 -0.013 0.000 0.239 351 R C 2.091 178.294 176.300 -0.162 0.000 1.137 351 R CA 1.919 57.897 56.100 -0.203 0.000 0.943 351 R CB -0.317 29.814 30.300 -0.281 0.000 0.850 351 R HN 0.197 nan 8.270 nan 0.000 0.433 352 V N 1.444 121.265 119.914 -0.154 0.000 2.255 352 V HA -0.277 3.835 4.120 -0.013 0.000 0.247 352 V C 2.456 178.402 176.094 -0.246 0.000 1.051 352 V CA 1.902 64.105 62.300 -0.161 0.000 1.018 352 V CB -0.439 31.287 31.823 -0.161 0.000 0.641 352 V HN 0.364 nan 8.190 nan 0.000 0.445 353 L N -0.711 120.305 121.223 -0.344 0.000 2.046 353 L HA -0.150 4.182 4.340 -0.013 0.000 0.208 353 L C 2.377 179.064 176.870 -0.305 0.000 1.077 353 L CA 1.225 55.794 54.840 -0.453 0.000 0.747 353 L CB -0.509 41.243 42.059 -0.512 0.000 0.896 353 L HN 0.215 nan 8.230 nan 0.000 0.432 354 V N -0.768 119.010 119.914 -0.227 0.000 2.331 354 V HA -0.177 3.935 4.120 -0.013 0.000 0.242 354 V C 1.981 178.030 176.094 -0.075 0.000 1.034 354 V CA 1.580 63.804 62.300 -0.125 0.000 1.027 354 V CB -0.302 31.474 31.823 -0.079 0.000 0.667 354 V HN 0.337 nan 8.190 nan 0.000 0.457 355 D N 0.140 120.492 120.400 -0.080 0.000 2.103 355 D HA -0.045 4.587 4.640 -0.013 0.000 0.199 355 D C 2.075 178.345 176.300 -0.049 0.000 0.978 355 D CA 1.317 55.287 54.000 -0.051 0.000 0.829 355 D CB -0.043 40.724 40.800 -0.055 0.000 0.981 355 D HN 0.314 nan 8.370 nan 0.000 0.464 356 L N 0.276 121.455 121.223 -0.073 0.000 2.200 356 L HA 0.085 4.417 4.340 -0.013 0.000 0.200 356 L C 1.974 178.808 176.870 -0.060 0.000 1.072 356 L CA 0.582 55.389 54.840 -0.056 0.000 0.787 356 L CB -0.201 41.827 42.059 -0.052 0.000 0.957 356 L HN -0.161 nan 8.230 nan 0.000 0.459 357 E N 0.718 120.846 120.200 -0.121 0.000 2.435 357 E HA -0.012 4.331 4.350 -0.013 0.000 0.195 357 E C 0.146 176.701 176.600 -0.076 0.000 1.029 357 E CA 0.016 56.346 56.400 -0.117 0.000 0.865 357 E CB 0.164 29.667 29.700 -0.328 0.000 0.833 357 E HN 0.257 nan 8.360 nan 0.000 0.510 358 R N -0.088 120.367 120.500 -0.075 0.000 3.423 358 R HA -0.194 4.138 4.340 -0.013 0.000 0.271 358 R C -0.464 175.817 176.300 -0.032 0.000 1.093 358 R CA 0.249 56.328 56.100 -0.035 0.000 0.730 358 R CB -2.534 27.764 30.300 -0.003 0.000 1.190 358 R HN 0.060 nan 8.270 nan 0.000 0.437 359 L N 1.825 123.000 121.223 -0.079 0.000 2.399 359 L HA 0.177 4.509 4.340 -0.013 0.000 0.266 359 L C 1.266 178.127 176.870 -0.014 0.000 1.114 359 L CA 0.091 54.895 54.840 -0.060 0.000 0.804 359 L CB 0.573 42.547 42.059 -0.143 0.000 1.146 359 L HN 0.131 nan 8.230 nan 0.000 0.451 360 D N 1.135 121.553 120.400 0.030 0.000 2.362 360 D HA -0.134 4.498 4.640 -0.013 0.000 0.242 360 D C 0.942 177.313 176.300 0.119 0.000 1.132 360 D CA -0.490 53.563 54.000 0.088 0.000 0.907 360 D CB 0.733 41.590 40.800 0.095 0.000 1.195 360 D HN 0.610 nan 8.370 nan 0.000 0.429 361 W N 2.528 123.833 121.300 0.008 0.000 2.298 361 W HA -0.262 4.391 4.660 -0.013 0.000 0.328 361 W C 1.273 177.840 176.519 0.080 0.000 1.259 361 W CA 2.087 59.445 57.345 0.023 0.000 1.251 361 W CB -0.450 29.005 29.460 -0.009 0.000 1.161 361 W HN 0.513 nan 8.180 nan 0.000 0.466 362 D N 0.169 120.805 120.400 0.394 0.000 2.133 362 D HA -0.237 4.395 4.640 -0.013 0.000 0.192 362 D C 2.052 178.460 176.300 0.181 0.000 1.001 362 D CA 1.656 55.844 54.000 0.313 0.000 0.844 362 D CB -0.493 40.455 40.800 0.247 0.000 0.944 362 D HN 0.124 nan 8.370 nan 0.000 0.447 363 K N 0.858 121.322 120.400 0.107 0.000 2.057 363 K HA -0.046 4.266 4.320 -0.013 0.000 0.207 363 K C 2.025 178.620 176.600 -0.009 0.000 1.049 363 K CA 0.945 57.265 56.287 0.055 0.000 0.931 363 K CB -0.258 32.269 32.500 0.044 0.000 0.714 363 K HN 0.040 nan 8.250 nan 0.000 0.440 364 A N 0.745 123.517 122.820 -0.080 0.000 1.902 364 A HA -0.186 4.126 4.320 -0.013 0.000 0.217 364 A C 2.096 179.583 177.584 -0.162 0.000 1.181 364 A CA 1.221 53.141 52.037 -0.195 0.000 0.623 364 A CB -0.993 17.821 19.000 -0.310 0.000 0.818 364 A HN 0.646 nan 8.150 nan 0.000 0.443 365 W N 0.666 121.754 121.300 -0.354 0.000 2.381 365 W HA -0.143 4.509 4.660 -0.013 0.000 0.301 365 W C 1.943 178.406 176.519 -0.093 0.000 1.205 365 W CA 1.741 58.930 57.345 -0.260 0.000 1.285 365 W CB -0.093 29.257 29.460 -0.183 0.000 1.133 365 W HN 0.581 nan 8.180 nan 0.000 0.521 366 E N 0.125 120.324 120.200 -0.001 0.000 2.058 366 E HA -0.228 4.114 4.350 -0.013 0.000 0.194 366 E C 2.066 178.590 176.600 -0.126 0.000 0.997 366 E CA 1.966 58.330 56.400 -0.060 0.000 0.801 366 E CB -0.305 29.416 29.700 0.034 0.000 0.746 366 E HN 0.059 nan 8.360 nan 0.000 0.450 367 V N 0.707 120.565 119.914 -0.093 0.000 2.295 367 V HA -0.277 3.835 4.120 -0.013 0.000 0.246 367 V C 2.430 178.463 176.094 -0.101 0.000 1.049 367 V CA 2.232 64.496 62.300 -0.059 0.000 1.024 367 V CB -0.848 30.938 31.823 -0.062 0.000 0.648 367 V HN 0.370 nan 8.190 nan 0.000 0.447 368 T N 0.110 114.534 114.554 -0.217 0.000 2.652 368 T HA -0.200 4.142 4.350 -0.013 0.000 0.267 368 T C 1.942 176.466 174.700 -0.294 0.000 1.039 368 T CA 1.884 63.830 62.100 -0.256 0.000 1.153 368 T CB -0.349 68.308 68.868 -0.352 0.000 0.863 368 T HN 0.272 nan 8.240 nan 0.000 0.428 369 V N 1.256 120.867 119.914 -0.504 0.000 2.332 369 V HA -0.183 3.929 4.120 -0.013 0.000 0.248 369 V C 2.384 178.416 176.094 -0.103 0.000 1.055 369 V CA 1.662 63.724 62.300 -0.397 0.000 1.038 369 V CB -0.496 31.016 31.823 -0.518 0.000 0.651 369 V HN 0.440 nan 8.190 nan 0.000 0.450 370 K N -0.297 120.027 120.400 -0.128 0.000 2.362 370 K HA -0.115 4.197 4.320 -0.013 0.000 0.200 370 K C 2.132 178.670 176.600 -0.104 0.000 1.046 370 K CA 1.552 57.744 56.287 -0.158 0.000 0.952 370 K CB -0.150 32.269 32.500 -0.135 0.000 0.753 370 K HN 0.659 nan 8.250 nan 0.000 0.466 371 T N -2.087 112.481 114.554 0.023 0.000 3.014 371 T HA 0.097 4.439 4.350 -0.013 0.000 0.250 371 T C 0.595 175.396 174.700 0.169 0.000 1.060 371 T CA -0.326 61.825 62.100 0.085 0.000 1.040 371 T CB 0.014 68.948 68.868 0.111 0.000 0.971 371 T HN 0.006 nan 8.240 nan 0.000 0.497 372 C N 2.568 121.962 119.300 0.157 0.000 2.365 372 C HA 0.924 5.376 4.460 -0.013 0.000 0.351 372 C C 0.529 175.599 174.990 0.134 0.000 1.240 372 C CA -0.757 58.338 59.018 0.128 0.000 2.062 372 C CB 0.272 28.023 27.740 0.018 0.000 2.387 372 C HN 0.745 nan 8.230 nan 0.000 0.537 373 A N 2.337 125.227 122.820 0.115 0.000 2.486 373 A HA 0.736 5.048 4.320 -0.013 0.000 0.300 373 A C -1.538 176.131 177.584 0.141 0.000 1.048 373 A CA -0.406 51.653 52.037 0.038 0.000 0.696 373 A CB 0.982 20.035 19.000 0.087 0.000 1.278 373 A HN 0.939 nan 8.150 nan 0.000 0.405 374 Y N 1.266 121.524 120.300 -0.070 0.000 2.409 374 Y HA 0.661 5.203 4.550 -0.013 0.000 0.343 374 Y C -0.480 175.405 175.900 -0.024 0.000 0.973 374 Y CA -0.329 57.740 58.100 -0.051 0.000 1.064 374 Y CB 2.059 40.446 38.460 -0.123 0.000 1.207 374 Y HN 0.567 nan 8.280 nan 0.000 0.452 375 T N 6.529 120.857 114.554 -0.377 0.000 2.779 375 T HA 0.199 4.541 4.350 -0.013 0.000 0.280 375 T C -0.869 173.367 174.700 -0.773 0.000 0.987 375 T CA -0.824 60.991 62.100 -0.476 0.000 0.966 375 T CB 0.501 69.330 68.868 -0.064 0.000 0.933 375 T HN 0.651 nan 8.240 nan 0.000 0.442 376 N N 1.645 119.901 118.700 -0.740 0.000 2.473 376 N HA 0.162 4.894 4.740 -0.013 0.000 0.291 376 N C -0.033 175.317 175.510 -0.266 0.000 1.083 376 N CA -0.374 52.467 53.050 -0.349 0.000 0.951 376 N CB 0.867 39.323 38.487 -0.051 0.000 1.164 376 N HN 0.677 nan 8.380 nan 0.000 0.480 377 H N 0.836 119.929 119.070 0.037 0.000 3.058 377 H HA 0.179 4.727 4.556 -0.013 0.000 0.266 377 H C -0.236 174.995 175.328 -0.161 0.000 1.135 377 H CA -0.053 55.956 56.048 -0.065 0.000 1.174 377 H CB 1.141 30.878 29.762 -0.042 0.000 1.581 377 H HN 0.530 nan 8.280 nan 0.000 0.553 378 T N 0.265 114.828 114.554 0.015 0.000 2.893 378 T HA 0.197 4.539 4.350 -0.013 0.000 0.337 378 T C 0.416 175.128 174.700 0.021 0.000 1.587 378 T CA -0.336 61.727 62.100 -0.062 0.000 1.066 378 T CB 1.217 70.035 68.868 -0.082 0.000 1.414 378 T HN -0.043 nan 8.240 nan 0.000 0.488 379 V N 1.939 121.834 119.914 -0.032 0.000 3.643 379 V HA 0.494 4.607 4.120 -0.013 0.000 0.280 379 V C 1.052 177.110 176.094 -0.061 0.000 1.351 379 V CA 0.064 62.337 62.300 -0.046 0.000 1.073 379 V CB -0.721 31.074 31.823 -0.045 0.000 0.863 379 V HN 0.804 nan 8.190 nan 0.000 0.436 380 I N 0.054 120.579 120.570 -0.075 0.000 2.598 380 I HA 0.258 4.420 4.170 -0.013 0.000 0.284 380 I C -0.647 175.468 176.117 -0.004 0.000 1.140 380 I CA -1.472 59.808 61.300 -0.033 0.000 1.420 380 I CB 0.422 38.394 38.000 -0.046 0.000 1.387 380 I HN -0.005 nan 8.210 nan 0.000 0.553 381 P HA -0.242 nan 4.420 nan 0.000 0.215 381 P C 1.197 178.512 177.300 0.025 0.000 1.153 381 P CA 1.595 64.703 63.100 0.014 0.000 0.853 381 P CB -0.091 31.626 31.700 0.029 0.000 0.788 382 E N 0.648 120.909 120.200 0.101 0.000 2.333 382 E HA -0.128 4.214 4.350 -0.013 0.000 0.198 382 E C 1.726 178.350 176.600 0.040 0.000 1.007 382 E CA 1.474 57.971 56.400 0.163 0.000 0.845 382 E CB -0.905 29.058 29.700 0.438 0.000 0.766 382 E HN 0.238 nan 8.360 nan 0.000 0.507 383 A N 1.293 124.134 122.820 0.035 0.000 2.132 383 A HA 0.181 4.493 4.320 -0.013 0.000 0.213 383 A C 1.375 178.918 177.584 -0.068 0.000 1.154 383 A CA -0.270 51.781 52.037 0.024 0.000 0.753 383 A CB -0.009 19.021 19.000 0.051 0.000 0.826 383 A HN 0.143 nan 8.150 nan 0.000 0.469 384 L N 1.752 122.896 121.223 -0.132 0.000 2.499 384 L HA 0.040 4.372 4.340 -0.013 0.000 0.273 384 L C 0.035 176.534 176.870 -0.619 0.000 1.195 384 L CA 0.572 55.269 54.840 -0.237 0.000 0.882 384 L CB 0.111 42.066 42.059 -0.172 0.000 1.133 384 L HN 0.436 nan 8.230 nan 0.000 0.483 385 E N 4.414 124.191 120.200 -0.705 0.000 2.180 385 E HA 0.198 4.540 4.350 -0.013 0.000 0.283 385 E C -0.466 175.491 176.600 -1.072 0.000 1.061 385 E CA -0.190 55.387 56.400 -1.372 0.000 0.861 385 E CB 0.655 29.935 29.700 -0.700 0.000 1.056 385 E HN 0.353 nan 8.360 nan 0.000 0.407 386 R N 3.610 123.306 120.500 -1.340 0.000 2.487 386 R HA 0.180 4.512 4.340 -0.013 0.000 0.288 386 R C -1.279 174.856 176.300 -0.275 0.000 1.394 386 R CA -0.525 55.253 56.100 -0.537 0.000 1.155 386 R CB 0.700 30.803 30.300 -0.328 0.000 1.156 386 R HN 0.451 nan 8.270 nan 0.000 0.553 387 W N 4.404 125.675 121.300 -0.049 0.000 2.303 387 W HA 0.206 4.858 4.660 -0.013 0.000 0.318 387 W C -1.828 174.677 176.519 -0.024 0.000 1.362 387 W CA -1.920 55.456 57.345 0.051 0.000 1.234 387 W CB 0.471 29.931 29.460 -0.000 0.000 1.248 387 W HN 0.244 nan 8.180 nan 0.000 0.546 388 P HA -0.082 nan 4.420 nan 0.000 0.265 388 P C 0.753 178.008 177.300 -0.075 0.000 1.193 388 P CA 0.159 63.251 63.100 -0.014 0.000 0.765 388 P CB 0.788 32.313 31.700 -0.292 0.000 0.823 389 V N 3.145 123.072 119.914 0.022 0.000 2.490 389 V HA -0.273 3.839 4.120 -0.013 0.000 0.250 389 V C 2.097 178.209 176.094 0.031 0.000 1.061 389 V CA 2.444 64.769 62.300 0.041 0.000 1.064 389 V CB -1.709 30.197 31.823 0.138 0.000 0.670 389 V HN 0.759 nan 8.190 nan 0.000 0.461 390 H N -1.727 117.399 119.070 0.093 0.000 2.456 390 H HA -0.113 4.435 4.556 -0.013 0.000 0.296 390 H C 1.914 177.286 175.328 0.073 0.000 1.079 390 H CA 1.449 57.546 56.048 0.081 0.000 1.322 390 H CB -0.382 29.429 29.762 0.083 0.000 1.388 390 H HN 0.329 nan 8.280 nan 0.000 0.538 391 L N 0.434 121.490 121.223 -0.278 0.000 2.044 391 L HA 0.009 4.342 4.340 -0.013 0.000 0.205 391 L C 2.296 179.102 176.870 -0.107 0.000 1.075 391 L CA 1.240 56.001 54.840 -0.131 0.000 0.747 391 L CB -0.616 41.355 42.059 -0.147 0.000 0.903 391 L HN 0.369 nan 8.230 nan 0.000 0.435 392 L N -1.041 120.098 121.223 -0.140 0.000 2.131 392 L HA -0.216 4.116 4.340 -0.013 0.000 0.210 392 L C 2.466 179.263 176.870 -0.123 0.000 1.092 392 L CA 1.114 55.846 54.840 -0.180 0.000 0.759 392 L CB -0.439 41.507 42.059 -0.187 0.000 0.903 392 L HN 0.366 nan 8.230 nan 0.000 0.435 393 E N -0.465 119.707 120.200 -0.047 0.000 2.077 393 E HA -0.202 4.140 4.350 -0.013 0.000 0.193 393 E C 1.979 178.607 176.600 0.046 0.000 0.989 393 E CA 1.839 58.244 56.400 0.008 0.000 0.800 393 E CB 0.141 29.886 29.700 0.075 0.000 0.746 393 E HN 0.439 nan 8.360 nan 0.000 0.452 394 T N 0.734 115.337 114.554 0.081 0.000 2.809 394 T HA -0.086 4.257 4.350 -0.013 0.000 0.260 394 T C 1.743 176.545 174.700 0.169 0.000 1.039 394 T CA 0.624 62.823 62.100 0.164 0.000 1.141 394 T CB -0.112 68.883 68.868 0.212 0.000 0.869 394 T HN 0.048 nan 8.240 nan 0.000 0.437 395 L N -0.016 121.200 121.223 -0.012 0.000 2.162 395 L HA 0.333 4.665 4.340 -0.013 0.000 0.205 395 L C 0.301 177.097 176.870 -0.123 0.000 1.086 395 L CA 1.535 56.245 54.840 -0.217 0.000 0.778 395 L CB 0.055 41.947 42.059 -0.279 0.000 0.928 395 L HN 0.174 nan 8.230 nan 0.000 0.446 396 L N 0.489 121.601 121.223 -0.186 0.000 2.551 396 L HA 0.295 4.627 4.340 -0.013 0.000 0.248 396 L C -1.698 174.988 176.870 -0.308 0.000 1.509 396 L CA -0.984 53.663 54.840 -0.321 0.000 0.842 396 L CB 0.928 42.640 42.059 -0.578 0.000 1.087 396 L HN -0.089 nan 8.230 nan 0.000 0.512 397 P HA -0.221 nan 4.420 nan 0.000 0.216 397 P C 1.491 178.589 177.300 -0.338 0.000 1.153 397 P CA 1.299 64.269 63.100 -0.217 0.000 0.858 397 P CB 0.360 32.007 31.700 -0.088 0.000 0.789 398 R N -0.477 119.636 120.500 -0.645 0.000 2.090 398 R HA -0.134 4.199 4.340 -0.013 0.000 0.228 398 R C 2.331 178.304 176.300 -0.544 0.000 1.110 398 R CA 1.468 57.196 56.100 -0.621 0.000 0.973 398 R CB -1.281 28.484 30.300 -0.892 0.000 0.869 398 R HN 0.220 nan 8.270 nan 0.000 0.440 399 H N -0.235 118.517 119.070 -0.529 0.000 2.389 399 H HA -0.048 4.500 4.556 -0.013 0.000 0.299 399 H C 1.780 176.930 175.328 -0.297 0.000 1.081 399 H CA 1.646 57.467 56.048 -0.378 0.000 1.345 399 H CB -0.053 29.447 29.762 -0.437 0.000 1.393 399 H HN 0.102 nan 8.280 nan 0.000 0.520 400 L N 0.475 121.564 121.223 -0.223 0.000 2.046 400 L HA -0.237 4.095 4.340 -0.013 0.000 0.208 400 L C 1.818 178.481 176.870 -0.346 0.000 1.077 400 L CA 1.570 56.208 54.840 -0.337 0.000 0.747 400 L CB -0.262 41.611 42.059 -0.309 0.000 0.896 400 L HN 0.445 nan 8.230 nan 0.000 0.432 401 Q N -0.454 119.247 119.800 -0.164 0.000 2.119 401 Q HA -0.209 4.124 4.340 -0.013 0.000 0.201 401 Q C 2.158 178.168 176.000 0.016 0.000 0.972 401 Q CA 1.413 57.209 55.803 -0.011 0.000 0.847 401 Q CB 0.013 28.758 28.738 0.012 0.000 0.903 401 Q HN 0.542 nan 8.270 nan 0.000 0.433 402 I N 0.194 120.754 120.570 -0.017 0.000 2.353 402 I HA -0.238 3.924 4.170 -0.013 0.000 0.248 402 I C 2.009 178.204 176.117 0.130 0.000 1.119 402 I CA 0.877 62.255 61.300 0.129 0.000 1.417 402 I CB 0.007 38.037 38.000 0.050 0.000 1.078 402 I HN 0.176 nan 8.210 nan 0.000 0.421 403 I N -0.580 119.985 120.570 -0.009 0.000 2.315 403 I HA -0.311 3.851 4.170 -0.013 0.000 0.248 403 I C 2.263 178.405 176.117 0.043 0.000 1.117 403 I CA 1.312 62.600 61.300 -0.020 0.000 1.404 403 I CB -0.339 37.579 38.000 -0.137 0.000 1.071 403 I HN 0.174 nan 8.210 nan 0.000 0.419 404 Y N 0.826 121.132 120.300 0.009 0.000 2.242 404 Y HA -0.246 4.296 4.550 -0.013 0.000 0.291 404 Y C 2.587 178.454 175.900 -0.055 0.000 1.137 404 Y CA 1.411 59.502 58.100 -0.014 0.000 1.181 404 Y CB -0.694 37.750 38.460 -0.027 0.000 0.989 404 Y HN 0.204 nan 8.280 nan 0.000 0.527 405 E N 0.357 120.601 120.200 0.072 0.000 2.106 405 E HA -0.121 4.221 4.350 -0.013 0.000 0.192 405 E C 2.055 178.571 176.600 -0.141 0.000 0.984 405 E CA 1.128 57.430 56.400 -0.163 0.000 0.806 405 E CB -0.527 28.919 29.700 -0.423 0.000 0.750 405 E HN 0.468 nan 8.360 nan 0.000 0.458 406 I N 0.632 121.223 120.570 0.035 0.000 2.179 406 I HA -0.265 3.898 4.170 -0.013 0.000 0.242 406 I C 2.251 178.365 176.117 -0.004 0.000 1.088 406 I CA 1.310 62.582 61.300 -0.046 0.000 1.357 406 I CB -0.367 37.617 38.000 -0.027 0.000 1.051 406 I HN 0.209 nan 8.210 nan 0.000 0.409 407 N N 0.754 119.504 118.700 0.082 0.000 2.069 407 N HA -0.258 4.474 4.740 -0.013 0.000 0.191 407 N C 1.872 177.466 175.510 0.140 0.000 1.031 407 N CA 1.632 54.780 53.050 0.163 0.000 0.852 407 N CB -0.112 38.491 38.487 0.193 0.000 1.018 407 N HN 0.261 nan 8.380 nan 0.000 0.423 408 Q N -0.195 119.632 119.800 0.044 0.000 2.045 408 Q HA -0.137 4.195 4.340 -0.013 0.000 0.206 408 Q C 2.106 178.090 176.000 -0.028 0.000 0.991 408 Q CA 1.719 57.512 55.803 -0.017 0.000 0.851 408 Q CB -0.016 28.667 28.738 -0.091 0.000 0.911 408 Q HN 0.412 nan 8.270 nan 0.000 0.418 409 R N -0.779 119.680 120.500 -0.069 0.000 2.096 409 R HA -0.140 4.192 4.340 -0.013 0.000 0.235 409 R C 2.165 178.484 176.300 0.031 0.000 1.127 409 R CA 1.210 57.267 56.100 -0.070 0.000 0.968 409 R CB -0.422 29.782 30.300 -0.159 0.000 0.861 409 R HN 0.264 nan 8.270 nan 0.000 0.440 410 F N 1.763 121.686 119.950 -0.046 0.000 2.084 410 F HA -0.095 4.424 4.527 -0.013 0.000 0.296 410 F C 1.974 177.800 175.800 0.043 0.000 1.111 410 F CA 1.309 59.333 58.000 0.039 0.000 1.224 410 F CB -0.282 38.774 39.000 0.093 0.000 0.991 410 F HN -0.136 nan 8.300 nan 0.000 0.471 411 L N 0.083 121.333 121.223 0.044 0.000 2.265 411 L HA -0.244 4.088 4.340 -0.013 0.000 0.215 411 L C 1.888 178.699 176.870 -0.098 0.000 1.117 411 L CA 1.511 56.316 54.840 -0.059 0.000 0.782 411 L CB -0.867 41.218 42.059 0.044 0.000 0.914 411 L HN 0.295 nan 8.230 nan 0.000 0.441 412 N N -0.414 118.241 118.700 -0.075 0.000 2.331 412 N HA -0.131 4.601 4.740 -0.013 0.000 0.180 412 N C 1.927 177.382 175.510 -0.092 0.000 1.019 412 N CA 0.418 53.425 53.050 -0.072 0.000 0.881 412 N CB 0.103 38.554 38.487 -0.060 0.000 0.972 412 N HN 0.230 nan 8.380 nan 0.000 0.435 413 R N 0.461 120.881 120.500 -0.133 0.000 2.073 413 R HA 0.003 4.335 4.340 -0.013 0.000 0.229 413 R C 2.056 178.249 176.300 -0.177 0.000 1.120 413 R CA 0.673 56.687 56.100 -0.143 0.000 0.967 413 R CB -0.046 30.163 30.300 -0.153 0.000 0.862 413 R HN 0.022 nan 8.270 nan 0.000 0.436 414 V N 0.622 120.386 119.914 -0.251 0.000 2.295 414 V HA -0.222 3.890 4.120 -0.013 0.000 0.246 414 V C 2.328 178.424 176.094 0.003 0.000 1.049 414 V CA 1.980 64.205 62.300 -0.125 0.000 1.024 414 V CB -0.699 30.996 31.823 -0.213 0.000 0.648 414 V HN 0.443 nan 8.190 nan 0.000 0.447 415 A N -0.007 122.788 122.820 -0.041 0.000 1.972 415 A HA -0.103 4.209 4.320 -0.013 0.000 0.219 415 A C 2.354 179.917 177.584 -0.036 0.000 1.169 415 A CA 2.055 54.084 52.037 -0.015 0.000 0.635 415 A CB -0.654 18.327 19.000 -0.030 0.000 0.810 415 A HN 0.585 nan 8.150 nan 0.000 0.446 416 A N -0.692 122.084 122.820 -0.073 0.000 2.014 416 A HA 0.336 4.648 4.320 -0.013 0.000 0.218 416 A C 2.326 179.817 177.584 -0.156 0.000 1.163 416 A CA 1.611 53.592 52.037 -0.093 0.000 0.652 416 A CB -0.581 18.368 19.000 -0.085 0.000 0.808 416 A HN 0.921 nan 8.150 nan 0.000 0.449 417 A N -1.468 121.210 122.820 -0.236 0.000 1.984 417 A HA 0.405 4.718 4.320 -0.013 0.000 0.214 417 A C 0.401 177.525 177.584 -0.767 0.000 1.173 417 A CA 0.472 52.191 52.037 -0.529 0.000 0.673 417 A CB -0.102 18.490 19.000 -0.680 0.000 0.830 417 A HN 0.409 nan 8.150 nan 0.000 0.453 418 F N 0.199 120.103 119.950 -0.076 0.000 2.531 418 F HA 0.353 4.872 4.527 -0.013 0.000 0.333 418 F C -2.784 172.981 175.800 -0.058 0.000 1.292 418 F CA -2.900 55.061 58.000 -0.065 0.000 1.184 418 F CB 0.769 39.722 39.000 -0.077 0.000 1.426 418 F HN -0.070 nan 8.300 nan 0.000 0.559 419 P HA 0.172 nan 4.420 nan 0.000 0.263 419 P C 1.024 178.346 177.300 0.036 0.000 1.195 419 P CA 1.054 64.167 63.100 0.022 0.000 0.762 419 P CB 0.835 32.529 31.700 -0.010 0.000 0.799 420 G N 2.764 111.578 108.800 0.024 0.000 2.234 420 G HA2 -0.249 3.703 3.960 -0.013 0.000 0.260 420 G HA3 -0.249 3.703 3.960 -0.013 0.000 0.260 420 G C 0.400 175.312 174.900 0.018 0.000 0.987 420 G CA 0.019 45.129 45.100 0.017 0.000 0.625 420 G HN 0.588 nan 8.290 nan 0.000 0.532 421 D N 1.085 121.506 120.400 0.035 0.000 2.600 421 D HA 0.367 4.999 4.640 -0.013 0.000 0.226 421 D C 1.669 177.962 176.300 -0.012 0.000 1.119 421 D CA 0.457 54.462 54.000 0.008 0.000 1.051 421 D CB 0.486 41.287 40.800 0.002 0.000 1.106 421 D HN 0.169 nan 8.370 nan 0.000 0.491 422 V N 2.642 122.551 119.914 -0.009 0.000 2.469 422 V HA -0.240 3.872 4.120 -0.013 0.000 0.251 422 V C 1.666 177.751 176.094 -0.016 0.000 1.064 422 V CA 2.104 64.398 62.300 -0.010 0.000 1.066 422 V CB -0.047 31.773 31.823 -0.006 0.000 0.667 422 V HN 0.366 nan 8.190 nan 0.000 0.461 423 D N -0.711 119.675 120.400 -0.024 0.000 2.183 423 D HA -0.161 4.471 4.640 -0.013 0.000 0.203 423 D C 2.346 178.619 176.300 -0.045 0.000 0.969 423 D CA 1.045 55.030 54.000 -0.026 0.000 0.842 423 D CB -0.186 40.599 40.800 -0.026 0.000 0.957 423 D HN 0.395 nan 8.370 nan 0.000 0.484 424 R N -0.308 120.142 120.500 -0.084 0.000 2.096 424 R HA -0.115 4.217 4.340 -0.013 0.000 0.235 424 R C 1.767 178.005 176.300 -0.103 0.000 1.127 424 R CA 0.730 56.743 56.100 -0.144 0.000 0.968 424 R CB -0.178 29.973 30.300 -0.249 0.000 0.861 424 R HN 0.162 nan 8.270 nan 0.000 0.440 425 L N 1.412 122.600 121.223 -0.058 0.000 2.012 425 L HA -0.193 4.139 4.340 -0.013 0.000 0.210 425 L C 2.517 179.398 176.870 0.017 0.000 1.073 425 L CA 2.069 56.895 54.840 -0.023 0.000 0.748 425 L CB -0.826 41.227 42.059 -0.010 0.000 0.891 425 L HN 0.302 nan 8.230 nan 0.000 0.431 426 R N -1.193 119.320 120.500 0.022 0.000 2.115 426 R HA -0.059 4.273 4.340 -0.013 0.000 0.226 426 R C 2.191 178.544 176.300 0.088 0.000 1.100 426 R CA 0.945 57.078 56.100 0.056 0.000 0.980 426 R CB -0.549 29.777 30.300 0.043 0.000 0.875 426 R HN 0.184 nan 8.270 nan 0.000 0.445 427 R N 0.288 120.821 120.500 0.055 0.000 2.090 427 R HA 0.108 4.440 4.340 -0.013 0.000 0.228 427 R C 2.067 178.449 176.300 0.136 0.000 1.110 427 R CA 1.670 57.825 56.100 0.091 0.000 0.973 427 R CB -0.154 30.159 30.300 0.022 0.000 0.869 427 R HN 0.301 nan 8.270 nan 0.000 0.440 428 M N 0.151 119.760 119.600 0.014 0.000 2.541 428 M HA 0.032 4.504 4.480 -0.013 0.000 0.252 428 M C 0.841 177.310 176.300 0.282 0.000 1.125 428 M CA 0.073 55.343 55.300 -0.050 0.000 1.091 428 M CB 0.414 32.847 32.600 -0.279 0.000 1.420 428 M HN -0.073 nan 8.290 nan 0.000 0.486 429 S N 0.899 116.772 115.700 0.288 0.000 2.563 429 S HA 0.068 4.530 4.470 -0.013 0.000 0.284 429 S C 1.098 175.959 174.600 0.435 0.000 1.331 429 S CA -0.226 58.170 58.200 0.326 0.000 1.047 429 S CB 0.561 63.891 63.200 0.216 0.000 0.859 429 S HN 0.356 nan 8.310 nan 0.000 0.514 430 L N 3.853 125.276 121.223 0.334 0.000 2.478 430 L HA 0.138 4.470 4.340 -0.013 0.000 0.223 430 L C 0.063 177.038 176.870 0.175 0.000 1.140 430 L CA 0.220 55.212 54.840 0.253 0.000 0.842 430 L CB -0.283 41.869 42.059 0.155 0.000 0.953 430 L HN 0.374 nan 8.230 nan 0.000 0.452 431 V N 0.580 120.614 119.914 0.200 0.000 2.370 431 V HA 0.207 4.319 4.120 -0.013 0.000 0.283 431 V C 0.001 176.183 176.094 0.145 0.000 1.023 431 V CA -0.651 61.755 62.300 0.177 0.000 0.857 431 V CB 1.592 33.555 31.823 0.234 0.000 0.985 431 V HN 0.151 nan 8.190 nan 0.000 0.443 432 E N 3.180 123.445 120.200 0.109 0.000 2.174 432 E HA 0.403 4.745 4.350 -0.013 0.000 0.282 432 E C -0.556 176.096 176.600 0.087 0.000 0.992 432 E CA -0.477 55.977 56.400 0.091 0.000 0.803 432 E CB 1.972 31.705 29.700 0.054 0.000 1.090 432 E HN 0.631 nan 8.360 nan 0.000 0.396 433 E N 0.928 121.176 120.200 0.080 0.000 2.385 433 E HA 0.607 4.949 4.350 -0.013 0.000 0.254 433 E C 0.314 176.952 176.600 0.064 0.000 1.228 433 E CA 0.605 57.047 56.400 0.070 0.000 0.956 433 E CB 1.086 30.820 29.700 0.058 0.000 1.116 433 E HN 0.638 nan 8.360 nan 0.000 0.507 434 G N -0.859 107.975 108.800 0.058 0.000 2.306 434 G HA2 0.124 4.076 3.960 -0.013 0.000 0.262 434 G HA3 0.124 4.076 3.960 -0.013 0.000 0.262 434 G C 0.636 175.571 174.900 0.057 0.000 1.263 434 G CA 0.256 45.388 45.100 0.054 0.000 1.088 434 G HN 0.725 nan 8.290 nan 0.000 0.489 435 A N -0.814 122.040 122.820 0.056 0.000 1.879 435 A HA 0.234 4.547 4.320 -0.013 0.000 0.222 435 A C 1.949 179.575 177.584 0.071 0.000 1.368 435 A CA 4.869 56.941 52.037 0.057 0.000 0.707 435 A CB -1.229 17.807 19.000 0.060 0.000 0.846 435 A HN 2.505 nan 8.150 nan 0.000 0.468 436 V N -2.725 117.243 119.914 0.090 0.000 2.735 436 V HA 0.573 4.686 4.120 -0.013 0.000 0.310 436 V C -0.567 175.601 176.094 0.124 0.000 1.061 436 V CA -1.331 61.043 62.300 0.123 0.000 0.913 436 V CB 1.727 33.654 31.823 0.173 0.000 1.005 436 V HN 0.393 nan 8.190 nan 0.000 0.428 437 K N 4.225 124.706 120.400 0.137 0.000 2.382 437 K HA 0.489 4.801 4.320 -0.013 0.000 0.275 437 K C -0.416 176.261 176.600 0.129 0.000 1.009 437 K CA -0.147 56.218 56.287 0.130 0.000 0.970 437 K CB 0.913 33.503 32.500 0.149 0.000 0.934 437 K HN 0.752 nan 8.250 nan 0.000 0.479 438 R N 1.247 121.810 120.500 0.105 0.000 2.836 438 R HA 0.496 4.828 4.340 -0.013 0.000 0.269 438 R C -0.666 175.677 176.300 0.072 0.000 1.010 438 R CA -0.995 55.156 56.100 0.085 0.000 0.930 438 R CB 1.281 31.610 30.300 0.050 0.000 1.218 438 R HN 0.363 nan 8.270 nan 0.000 0.473 439 I N 1.794 122.402 120.570 0.064 0.000 2.354 439 I HA 0.180 4.342 4.170 -0.013 0.000 0.292 439 I C -0.295 175.807 176.117 -0.026 0.000 0.989 439 I CA -0.724 60.600 61.300 0.039 0.000 1.188 439 I CB 1.309 39.332 38.000 0.039 0.000 1.342 439 I HN 0.518 nan 8.210 nan 0.000 0.457 440 N N 7.058 125.708 118.700 -0.083 0.000 2.402 440 N HA 0.087 4.819 4.740 -0.013 0.000 0.252 440 N C 0.834 176.236 175.510 -0.181 0.000 1.118 440 N CA -0.345 52.568 53.050 -0.227 0.000 0.945 440 N CB 0.960 39.157 38.487 -0.482 0.000 1.147 440 N HN 0.381 nan 8.380 nan 0.000 0.495 441 M N 2.454 121.957 119.600 -0.162 0.000 2.279 441 M HA -0.075 4.397 4.480 -0.013 0.000 0.264 441 M C 1.939 178.094 176.300 -0.241 0.000 1.062 441 M CA 0.749 55.971 55.300 -0.131 0.000 1.099 441 M CB -1.554 31.015 32.600 -0.051 0.000 1.394 441 M HN 0.607 nan 8.290 nan 0.000 0.426 442 A N -0.612 122.057 122.820 -0.252 0.000 1.930 442 A HA -0.166 4.146 4.320 -0.013 0.000 0.217 442 A C 1.979 179.355 177.584 -0.347 0.000 1.175 442 A CA 1.421 53.275 52.037 -0.304 0.000 0.627 442 A CB -1.100 17.912 19.000 0.020 0.000 0.815 442 A HN 0.608 nan 8.150 nan 0.000 0.443 443 H N -1.107 117.756 119.070 -0.345 0.000 2.423 443 H HA 0.013 4.561 4.556 -0.013 0.000 0.297 443 H C 2.097 177.197 175.328 -0.379 0.000 1.075 443 H CA 0.813 56.607 56.048 -0.424 0.000 1.342 443 H CB -0.016 29.701 29.762 -0.074 0.000 1.395 443 H HN 0.372 nan 8.280 nan 0.000 0.530 444 L N 0.364 121.502 121.223 -0.143 0.000 2.017 444 L HA -0.219 4.113 4.340 -0.013 0.000 0.208 444 L C 2.189 178.934 176.870 -0.210 0.000 1.073 444 L CA 1.267 56.027 54.840 -0.133 0.000 0.745 444 L CB -0.379 41.628 42.059 -0.087 0.000 0.894 444 L HN 0.438 nan 8.230 nan 0.000 0.432 445 C N 0.011 119.087 119.300 -0.374 0.000 2.429 445 C HA -0.163 4.289 4.460 -0.013 0.000 0.277 445 C C 2.660 177.417 174.990 -0.389 0.000 1.262 445 C CA 0.574 59.300 59.018 -0.487 0.000 1.733 445 C CB -0.738 26.337 27.740 -1.108 0.000 2.010 445 C HN 0.511 nan 8.230 nan 0.000 0.483 446 I N 1.404 121.693 120.570 -0.467 0.000 2.202 446 I HA -0.184 3.979 4.170 -0.013 0.000 0.242 446 I C 2.753 178.729 176.117 -0.236 0.000 1.091 446 I CA 1.661 62.718 61.300 -0.405 0.000 1.368 446 I CB -0.569 37.028 38.000 -0.673 0.000 1.058 446 I HN 0.251 nan 8.210 nan 0.000 0.410 447 A N 0.552 123.207 122.820 -0.274 0.000 1.933 447 A HA -0.098 4.214 4.320 -0.013 0.000 0.218 447 A C 2.223 179.884 177.584 0.129 0.000 1.175 447 A CA 1.867 53.808 52.037 -0.160 0.000 0.628 447 A CB -1.159 17.528 19.000 -0.522 0.000 0.814 447 A HN 0.487 nan 8.150 nan 0.000 0.444 448 G N -1.210 107.593 108.800 0.006 0.000 3.189 448 G HA2 0.404 4.357 3.960 -0.013 0.000 0.225 448 G HA3 0.404 4.357 3.960 -0.013 0.000 0.225 448 G C 0.147 174.896 174.900 -0.253 0.000 1.159 448 G CA 0.505 45.482 45.100 -0.205 0.000 0.763 448 G HN 0.359 nan 8.290 nan 0.000 0.549 449 S N -0.345 115.265 115.700 -0.151 0.000 2.536 449 S HA 0.332 4.794 4.470 -0.013 0.000 0.298 449 S C 0.689 175.251 174.600 -0.064 0.000 1.083 449 S CA -0.706 57.433 58.200 -0.102 0.000 0.995 449 S CB 1.300 64.443 63.200 -0.096 0.000 1.058 449 S HN 0.497 nan 8.310 nan 0.000 0.488 450 H N -0.216 118.817 119.070 -0.061 0.000 2.548 450 H HA 0.521 5.069 4.556 -0.013 0.000 0.265 450 H C 0.057 175.368 175.328 -0.027 0.000 0.969 450 H CA 0.215 56.251 56.048 -0.019 0.000 1.155 450 H CB 0.139 29.905 29.762 0.007 0.000 1.394 450 H HN 0.522 nan 8.280 nan 0.000 0.570 451 A N 0.924 123.442 122.820 -0.504 0.000 2.488 451 A HA 0.556 4.868 4.320 -0.013 0.000 0.298 451 A C -1.483 175.900 177.584 -0.335 0.000 1.044 451 A CA -0.558 51.222 52.037 -0.428 0.000 0.693 451 A CB 2.147 20.840 19.000 -0.511 0.000 1.272 451 A HN 0.094 nan 8.150 nan 0.000 0.402 452 V N 4.059 123.742 119.914 -0.384 0.000 2.577 452 V HA 0.578 4.690 4.120 -0.013 0.000 0.303 452 V C -0.773 175.144 176.094 -0.297 0.000 1.042 452 V CA -0.743 61.328 62.300 -0.382 0.000 0.872 452 V CB 1.898 33.345 31.823 -0.625 0.000 0.998 452 V HN 1.033 nan 8.190 nan 0.000 0.423 453 N N 2.932 121.474 118.700 -0.263 0.000 2.229 453 N HA 0.604 5.336 4.740 -0.013 0.000 0.298 453 N C -0.317 175.100 175.510 -0.156 0.000 1.114 453 N CA -0.375 52.565 53.050 -0.183 0.000 0.776 453 N CB 2.875 41.230 38.487 -0.220 0.000 1.501 453 N HN 0.656 nan 8.380 nan 0.000 0.474 454 G N -0.745 107.996 108.800 -0.097 0.000 2.522 454 G HA2 0.419 4.371 3.960 -0.013 0.000 0.304 454 G HA3 0.419 4.371 3.960 -0.013 0.000 0.304 454 G C 0.782 175.750 174.900 0.113 0.000 1.210 454 G CA -0.514 44.576 45.100 -0.016 0.000 0.960 454 G HN 0.628 nan 8.290 nan 0.000 0.497 455 V N -3.492 116.609 119.914 0.312 0.000 3.376 455 V HA 0.686 4.798 4.120 -0.013 0.000 0.313 455 V C 0.571 176.750 176.094 0.142 0.000 1.393 455 V CA 0.311 62.702 62.300 0.152 0.000 1.125 455 V CB -0.837 31.031 31.823 0.074 0.000 1.037 455 V HN 1.313 nan 8.190 nan 0.000 0.440 456 A N -0.191 122.723 122.820 0.157 0.000 2.594 456 A HA 0.621 4.933 4.320 -0.013 0.000 0.296 456 A C 0.702 178.335 177.584 0.082 0.000 1.061 456 A CA -0.161 51.943 52.037 0.112 0.000 0.689 456 A CB 1.225 20.281 19.000 0.094 0.000 1.280 456 A HN 0.020 nan 8.150 nan 0.000 0.406 457 R N 0.981 121.508 120.500 0.046 0.000 2.112 457 R HA -0.186 4.146 4.340 -0.013 0.000 0.242 457 R C 1.699 177.995 176.300 -0.005 0.000 1.137 457 R CA 2.392 58.496 56.100 0.007 0.000 0.944 457 R CB -0.245 30.055 30.300 0.000 0.000 0.857 457 R HN 0.837 nan 8.270 nan 0.000 0.435 458 I N 0.127 120.703 120.570 0.010 0.000 2.286 458 I HA -0.302 3.860 4.170 -0.013 0.000 0.248 458 I C 2.370 178.494 176.117 0.012 0.000 1.115 458 I CA 1.908 63.207 61.300 -0.002 0.000 1.392 458 I CB -0.253 37.746 38.000 -0.002 0.000 1.065 458 I HN 0.355 nan 8.210 nan 0.000 0.418 459 H N 0.387 119.429 119.070 -0.046 0.000 2.321 459 H HA -0.123 4.425 4.556 -0.013 0.000 0.300 459 H C 2.252 177.546 175.328 -0.056 0.000 1.087 459 H CA 2.210 58.226 56.048 -0.053 0.000 1.319 459 H CB -0.298 29.439 29.762 -0.042 0.000 1.379 459 H HN 0.241 nan 8.280 nan 0.000 0.501 460 S N 0.318 115.878 115.700 -0.233 0.000 2.399 460 S HA -0.119 4.343 4.470 -0.013 0.000 0.231 460 S C 1.896 176.368 174.600 -0.213 0.000 1.022 460 S CA 1.152 59.198 58.200 -0.256 0.000 0.983 460 S CB -0.065 63.064 63.200 -0.119 0.000 0.803 460 S HN 0.463 nan 8.310 nan 0.000 0.480 461 E N 1.229 121.329 120.200 -0.167 0.000 2.072 461 E HA 0.018 4.360 4.350 -0.013 0.000 0.191 461 E C 1.991 178.475 176.600 -0.194 0.000 0.985 461 E CA 0.655 56.950 56.400 -0.174 0.000 0.801 461 E CB -0.374 29.255 29.700 -0.119 0.000 0.750 461 E HN 0.501 nan 8.360 nan 0.000 0.452 462 I N 0.911 121.381 120.570 -0.167 0.000 2.361 462 I HA -0.265 3.897 4.170 -0.013 0.000 0.251 462 I C 2.322 178.312 176.117 -0.211 0.000 1.133 462 I CA 0.704 61.911 61.300 -0.155 0.000 1.413 462 I CB -0.162 37.779 38.000 -0.098 0.000 1.073 462 I HN 0.057 nan 8.210 nan 0.000 0.424 463 L N 0.242 121.303 121.223 -0.270 0.000 2.083 463 L HA -0.213 4.119 4.340 -0.013 0.000 0.209 463 L C 2.490 179.235 176.870 -0.208 0.000 1.083 463 L CA 1.492 56.178 54.840 -0.257 0.000 0.752 463 L CB -0.528 41.451 42.059 -0.133 0.000 0.899 463 L HN 0.203 nan 8.230 nan 0.000 0.433 464 K N -0.033 120.179 120.400 -0.314 0.000 2.103 464 K HA -0.110 4.202 4.320 -0.013 0.000 0.204 464 K C 2.094 178.499 176.600 -0.325 0.000 1.052 464 K CA 0.925 56.901 56.287 -0.519 0.000 0.945 464 K CB 0.033 31.989 32.500 -0.906 0.000 0.722 464 K HN 0.229 nan 8.250 nan 0.000 0.443 465 K N 0.151 120.406 120.400 -0.241 0.000 2.228 465 K HA -0.058 4.255 4.320 -0.013 0.000 0.202 465 K C 1.975 178.515 176.600 -0.101 0.000 1.051 465 K CA 1.575 57.775 56.287 -0.146 0.000 0.960 465 K CB 0.289 32.713 32.500 -0.126 0.000 0.743 465 K HN 0.316 nan 8.250 nan 0.000 0.458 466 T N -1.641 112.842 114.554 -0.117 0.000 3.257 466 T HA 0.066 4.408 4.350 -0.013 0.000 0.176 466 T C 1.701 176.347 174.700 -0.090 0.000 0.892 466 T CA -0.339 61.706 62.100 -0.091 0.000 1.147 466 T CB -0.723 68.087 68.868 -0.096 0.000 1.840 466 T HN -0.068 nan 8.240 nan 0.000 0.375 467 I N 1.031 121.487 120.570 -0.190 0.000 2.143 467 I HA -0.091 4.071 4.170 -0.013 0.000 0.245 467 I C 1.118 177.154 176.117 -0.134 0.000 1.068 467 I CA 1.830 62.952 61.300 -0.296 0.000 1.326 467 I CB -0.201 37.402 38.000 -0.663 0.000 1.028 467 I HN 0.494 nan 8.210 nan 0.000 0.412 468 F N -0.595 119.419 119.950 0.107 0.000 2.791 468 F HA 0.208 4.727 4.527 -0.013 0.000 0.308 468 F C 1.772 177.650 175.800 0.129 0.000 1.138 468 F CA -0.504 57.633 58.000 0.228 0.000 1.294 468 F CB -0.084 39.060 39.000 0.240 0.000 0.975 468 F HN -0.133 nan 8.300 nan 0.000 0.512 469 K N 0.988 121.491 120.400 0.172 0.000 2.044 469 K HA -0.221 4.091 4.320 -0.013 0.000 0.210 469 K C 1.329 177.978 176.600 0.081 0.000 1.049 469 K CA 2.113 58.446 56.287 0.077 0.000 0.927 469 K CB -0.034 32.478 32.500 0.019 0.000 0.713 469 K HN 0.229 nan 8.250 nan 0.000 0.443 470 D N -0.243 120.175 120.400 0.031 0.000 2.149 470 D HA -0.165 4.467 4.640 -0.013 0.000 0.198 470 D C 1.831 178.027 176.300 -0.173 0.000 0.990 470 D CA 1.249 55.139 54.000 -0.184 0.000 0.839 470 D CB -0.286 40.300 40.800 -0.356 0.000 0.948 470 D HN 0.228 nan 8.370 nan 0.000 0.460 471 F N -0.185 119.847 119.950 0.135 0.000 2.206 471 F HA -0.126 4.393 4.527 -0.013 0.000 0.298 471 F C 2.344 178.295 175.800 0.251 0.000 1.090 471 F CA 0.429 58.590 58.000 0.267 0.000 1.323 471 F CB -0.696 38.539 39.000 0.391 0.000 1.028 471 F HN -0.047 nan 8.300 nan 0.000 0.492 472 Y N 1.397 121.676 120.300 -0.034 0.000 2.224 472 Y HA -0.207 4.335 4.550 -0.013 0.000 0.289 472 Y C 2.120 178.014 175.900 -0.010 0.000 1.146 472 Y CA 1.650 59.551 58.100 -0.331 0.000 1.182 472 Y CB -0.627 37.466 38.460 -0.612 0.000 0.983 472 Y HN 0.135 nan 8.280 nan 0.000 0.524 473 E N -0.206 119.948 120.200 -0.076 0.000 2.150 473 E HA -0.185 4.157 4.350 -0.013 0.000 0.193 473 E C 2.245 178.907 176.600 0.103 0.000 0.985 473 E CA 0.974 57.342 56.400 -0.053 0.000 0.814 473 E CB -0.203 29.505 29.700 0.012 0.000 0.752 473 E HN 0.440 nan 8.360 nan 0.000 0.466 474 L N 0.710 122.034 121.223 0.170 0.000 2.072 474 L HA -0.064 4.268 4.340 -0.013 0.000 0.205 474 L C 0.069 177.027 176.870 0.147 0.000 1.079 474 L CA 1.469 56.444 54.840 0.225 0.000 0.752 474 L CB 0.134 42.324 42.059 0.218 0.000 0.906 474 L HN 0.067 nan 8.230 nan 0.000 0.436 475 E N -0.069 120.210 120.200 0.131 0.000 3.117 475 E HA 0.162 4.504 4.350 -0.013 0.000 0.262 475 E C -1.987 174.541 176.600 -0.121 0.000 1.202 475 E CA -1.353 55.029 56.400 -0.030 0.000 0.853 475 E CB 0.980 30.626 29.700 -0.091 0.000 1.426 475 E HN 0.156 nan 8.360 nan 0.000 0.387 476 P HA -0.254 nan 4.420 nan 0.000 0.218 476 P C 1.170 178.560 177.300 0.151 0.000 1.148 476 P CA 1.417 64.404 63.100 -0.188 0.000 0.822 476 P CB -0.067 31.401 31.700 -0.386 0.000 0.784 477 H N 0.100 119.268 119.070 0.162 0.000 2.491 477 H HA 0.066 4.614 4.556 -0.013 0.000 0.290 477 H C 1.510 176.927 175.328 0.148 0.000 1.050 477 H CA 0.783 56.919 56.048 0.147 0.000 1.309 477 H CB -0.674 29.145 29.762 0.096 0.000 1.392 477 H HN 0.159 nan 8.280 nan 0.000 0.554 478 K N 0.410 120.696 120.400 -0.190 0.000 2.155 478 K HA 0.021 4.333 4.320 -0.013 0.000 0.203 478 K C -0.036 176.409 176.600 -0.257 0.000 1.052 478 K CA 0.332 56.487 56.287 -0.219 0.000 0.948 478 K CB 0.039 32.286 32.500 -0.422 0.000 0.728 478 K HN 0.113 nan 8.250 nan 0.000 0.448 479 F N 1.917 121.893 119.950 0.043 0.000 2.438 479 F HA 0.123 4.642 4.527 -0.013 0.000 0.356 479 F C 0.628 176.432 175.800 0.006 0.000 1.099 479 F CA -0.077 57.951 58.000 0.047 0.000 1.185 479 F CB 0.770 39.853 39.000 0.139 0.000 1.115 479 F HN -0.056 nan 8.300 nan 0.000 0.526 480 Q N 1.762 121.592 119.800 0.049 0.000 2.683 480 Q HA 0.399 4.731 4.340 -0.013 0.000 0.302 480 Q C -1.266 174.693 176.000 -0.067 0.000 1.042 480 Q CA -1.325 54.461 55.803 -0.027 0.000 0.773 480 Q CB 2.951 31.619 28.738 -0.116 0.000 1.508 480 Q HN 0.638 nan 8.270 nan 0.000 0.459 481 N N 0.356 118.994 118.700 -0.104 0.000 2.225 481 N HA 0.286 5.018 4.740 -0.013 0.000 0.298 481 N C -1.590 173.818 175.510 -0.170 0.000 1.076 481 N CA -0.409 52.577 53.050 -0.106 0.000 0.792 481 N CB 1.334 39.783 38.487 -0.064 0.000 1.498 481 N HN 0.300 nan 8.380 nan 0.000 0.474 482 K N 2.589 122.892 120.400 -0.160 0.000 2.764 482 K HA 0.183 4.495 4.320 -0.013 0.000 0.239 482 K C -1.045 175.558 176.600 0.005 0.000 1.048 482 K CA -0.465 55.696 56.287 -0.210 0.000 1.057 482 K CB 1.208 33.343 32.500 -0.608 0.000 1.251 482 K HN 0.555 nan 8.250 nan 0.000 0.524 483 T N 2.060 116.637 114.554 0.040 0.000 2.902 483 T HA 0.070 4.412 4.350 -0.013 0.000 0.301 483 T C 0.814 175.641 174.700 0.212 0.000 1.012 483 T CA 0.343 62.519 62.100 0.128 0.000 1.151 483 T CB 0.315 69.263 68.868 0.133 0.000 0.946 483 T HN 0.350 nan 8.240 nan 0.000 0.542 484 N N 0.566 119.413 118.700 0.245 0.000 2.267 484 N HA 0.405 5.137 4.740 -0.013 0.000 0.226 484 N C 0.452 176.149 175.510 0.313 0.000 1.314 484 N CA -0.166 53.064 53.050 0.300 0.000 0.887 484 N CB 0.377 38.982 38.487 0.196 0.000 1.120 484 N HN 0.758 nan 8.380 nan 0.000 0.440 485 G N -0.708 108.285 108.800 0.321 0.000 2.649 485 G HA2 0.581 4.533 3.960 -0.013 0.000 0.290 485 G HA3 0.581 4.533 3.960 -0.013 0.000 0.290 485 G C -1.396 173.640 174.900 0.227 0.000 1.426 485 G CA -0.739 44.534 45.100 0.287 0.000 0.794 485 G HN 0.598 nan 8.290 nan 0.000 0.483 486 I N -2.360 118.325 120.570 0.192 0.000 2.892 486 I HA 0.785 4.947 4.170 -0.013 0.000 0.306 486 I C -0.269 176.004 176.117 0.259 0.000 1.078 486 I CA -0.968 60.437 61.300 0.175 0.000 1.032 486 I CB 2.459 40.445 38.000 -0.023 0.000 1.229 486 I HN 0.502 nan 8.210 nan 0.000 0.435 487 T N 3.681 118.451 114.554 0.361 0.000 2.794 487 T HA 0.379 4.721 4.350 -0.013 0.000 0.296 487 T C -1.473 173.350 174.700 0.206 0.000 0.949 487 T CA -1.726 60.509 62.100 0.225 0.000 1.101 487 T CB 0.842 69.789 68.868 0.131 0.000 0.905 487 T HN 0.609 nan 8.240 nan 0.000 0.516 488 P HA 0.016 nan 4.420 nan 0.000 0.226 488 P C 1.158 178.434 177.300 -0.039 0.000 1.153 488 P CA 0.590 63.731 63.100 0.069 0.000 0.777 488 P CB 0.316 32.041 31.700 0.043 0.000 0.794 489 R N 0.020 120.445 120.500 -0.126 0.000 2.055 489 R HA -0.002 4.330 4.340 -0.013 0.000 0.228 489 R C 2.735 178.920 176.300 -0.191 0.000 1.143 489 R CA 1.432 57.412 56.100 -0.201 0.000 0.945 489 R CB -0.638 29.536 30.300 -0.210 0.000 0.841 489 R HN 0.039 nan 8.270 nan 0.000 0.429 490 R N -0.481 119.855 120.500 -0.273 0.000 2.073 490 R HA -0.107 4.226 4.340 -0.013 0.000 0.229 490 R C 0.945 176.903 176.300 -0.571 0.000 1.120 490 R CA 1.467 57.255 56.100 -0.520 0.000 0.967 490 R CB -0.101 29.720 30.300 -0.799 0.000 0.862 490 R HN 0.279 nan 8.270 nan 0.000 0.436 491 W N 0.052 121.308 121.300 -0.074 0.000 3.405 491 W HA 0.159 4.810 4.660 -0.014 0.000 0.300 491 W C 0.826 177.313 176.519 -0.052 0.000 1.286 491 W CA -0.686 56.615 57.345 -0.074 0.000 1.762 491 W CB 0.409 29.830 29.460 -0.066 0.000 1.087 491 W HN 0.247 nan 8.180 nan 0.000 0.703 492 L N -2.445 118.833 121.223 0.092 0.000 2.604 492 L HA 0.169 4.501 4.340 -0.013 0.000 0.150 492 L C 1.710 178.598 176.870 0.030 0.000 1.292 492 L CA 0.712 55.602 54.840 0.084 0.000 0.977 492 L CB -0.856 41.278 42.059 0.125 0.000 1.943 492 L HN -0.262 nan 8.230 nan 0.000 0.508 493 V N 1.178 121.090 119.914 -0.003 0.000 2.287 493 V HA -0.271 3.841 4.120 -0.013 0.000 0.248 493 V C 2.461 178.527 176.094 -0.047 0.000 1.053 493 V CA 2.512 64.797 62.300 -0.025 0.000 1.027 493 V CB -0.653 31.122 31.823 -0.079 0.000 0.646 493 V HN 0.496 nan 8.190 nan 0.000 0.447 494 L N 0.376 121.542 121.223 -0.095 0.000 2.023 494 L HA -0.183 4.149 4.340 -0.013 0.000 0.205 494 L C 2.497 179.303 176.870 -0.107 0.000 1.073 494 L CA 2.341 57.108 54.840 -0.122 0.000 0.745 494 L CB -0.270 41.666 42.059 -0.206 0.000 0.900 494 L HN 0.658 nan 8.230 nan 0.000 0.435 495 C N -2.014 117.217 119.300 -0.114 0.000 2.563 495 C HA 0.197 4.649 4.460 -0.013 0.000 0.268 495 C C 1.171 176.143 174.990 -0.030 0.000 1.365 495 C CA -0.343 58.627 59.018 -0.080 0.000 1.754 495 C CB -1.025 26.669 27.740 -0.077 0.000 1.932 495 C HN 0.558 nan 8.230 nan 0.000 0.536 496 N N 1.167 119.860 118.700 -0.011 0.000 2.733 496 N HA 0.283 5.015 4.740 -0.013 0.000 0.271 496 N C -1.807 173.712 175.510 0.014 0.000 1.720 496 N CA -1.568 51.486 53.050 0.007 0.000 0.803 496 N CB 0.809 39.309 38.487 0.021 0.000 1.208 496 N HN 0.234 nan 8.380 nan 0.000 0.498 497 P HA -0.037 nan 4.420 nan 0.000 0.218 497 P C 1.387 178.699 177.300 0.019 0.000 1.149 497 P CA 0.903 64.011 63.100 0.013 0.000 0.817 497 P CB 0.282 31.983 31.700 0.001 0.000 0.785 498 G N 0.771 109.577 108.800 0.010 0.000 2.433 498 G HA2 -0.249 3.703 3.960 -0.013 0.000 0.216 498 G HA3 -0.249 3.703 3.960 -0.013 0.000 0.216 498 G C 1.536 176.438 174.900 0.004 0.000 1.186 498 G CA 0.758 45.860 45.100 0.004 0.000 0.779 498 G HN 0.259 nan 8.290 nan 0.000 0.543 499 L N 1.310 122.535 121.223 0.005 0.000 2.056 499 L HA 0.203 4.535 4.340 -0.013 0.000 0.207 499 L C 3.035 179.926 176.870 0.036 0.000 1.078 499 L CA 2.095 56.935 54.840 -0.001 0.000 0.749 499 L CB -0.626 41.435 42.059 0.002 0.000 0.901 499 L HN 0.230 nan 8.230 nan 0.000 0.433 500 A N -0.877 121.986 122.820 0.072 0.000 1.972 500 A HA -0.228 4.084 4.320 -0.013 0.000 0.219 500 A C 2.216 179.891 177.584 0.151 0.000 1.169 500 A CA 1.673 53.803 52.037 0.154 0.000 0.635 500 A CB -0.616 18.473 19.000 0.149 0.000 0.810 500 A HN 0.547 nan 8.150 nan 0.000 0.446 501 E N 0.808 121.059 120.200 0.085 0.000 2.028 501 E HA -0.167 4.176 4.350 -0.013 0.000 0.191 501 E C 1.851 178.492 176.600 0.067 0.000 0.988 501 E CA 1.642 58.084 56.400 0.070 0.000 0.799 501 E CB -0.543 29.180 29.700 0.038 0.000 0.755 501 E HN 0.729 nan 8.360 nan 0.000 0.447 502 I N -1.568 119.031 120.570 0.049 0.000 2.361 502 I HA -0.169 3.994 4.170 -0.013 0.000 0.251 502 I C 2.172 178.365 176.117 0.126 0.000 1.133 502 I CA 1.227 62.566 61.300 0.066 0.000 1.413 502 I CB -0.370 37.634 38.000 0.007 0.000 1.073 502 I HN 0.032 nan 8.210 nan 0.000 0.424 503 I N 1.905 122.529 120.570 0.090 0.000 2.202 503 I HA -0.183 3.980 4.170 -0.013 0.000 0.242 503 I C 3.000 179.101 176.117 -0.026 0.000 1.091 503 I CA 1.313 62.613 61.300 -0.000 0.000 1.368 503 I CB -0.494 37.383 38.000 -0.205 0.000 1.058 503 I HN 0.302 nan 8.210 nan 0.000 0.410 504 A N 0.185 123.077 122.820 0.119 0.000 1.972 504 A HA -0.227 4.085 4.320 -0.013 0.000 0.219 504 A C 2.176 179.803 177.584 0.072 0.000 1.169 504 A CA 1.541 53.691 52.037 0.188 0.000 0.635 504 A CB -0.580 18.552 19.000 0.220 0.000 0.810 504 A HN 0.429 nan 8.150 nan 0.000 0.446 505 E N -0.775 119.449 120.200 0.040 0.000 2.209 505 E HA -0.185 4.157 4.350 -0.013 0.000 0.196 505 E C 2.172 178.749 176.600 -0.038 0.000 0.993 505 E CA 1.059 57.466 56.400 0.013 0.000 0.819 505 E CB 0.039 29.752 29.700 0.022 0.000 0.745 505 E HN 0.527 nan 8.360 nan 0.000 0.477 506 R N -0.209 120.217 120.500 -0.122 0.000 2.121 506 R HA 0.102 4.435 4.340 -0.013 0.000 0.206 506 R C 2.298 178.514 176.300 -0.140 0.000 1.094 506 R CA 0.729 56.678 56.100 -0.252 0.000 1.055 506 R CB -0.225 29.616 30.300 -0.766 0.000 0.964 506 R HN 0.265 nan 8.270 nan 0.000 0.473 507 I N -2.271 118.231 120.570 -0.113 0.000 4.018 507 I HA 0.433 4.595 4.170 -0.013 0.000 0.337 507 I C 0.521 176.680 176.117 0.069 0.000 1.327 507 I CA 0.125 61.415 61.300 -0.016 0.000 1.100 507 I CB 0.708 38.681 38.000 -0.045 0.000 1.025 507 I HN 0.201 nan 8.210 nan 0.000 0.396 508 G N 2.044 110.898 108.800 0.090 0.000 2.582 508 G HA2 -0.202 3.750 3.960 -0.013 0.000 0.222 508 G HA3 -0.202 3.750 3.960 -0.013 0.000 0.222 508 G C -0.076 174.950 174.900 0.209 0.000 1.311 508 G CA 0.154 45.325 45.100 0.119 0.000 0.915 508 G HN 0.405 nan 8.290 nan 0.000 0.528 509 E N -0.530 119.737 120.200 0.112 0.000 2.447 509 E HA 0.109 4.451 4.350 -0.013 0.000 0.204 509 E C 1.863 178.390 176.600 -0.121 0.000 0.977 509 E CA 0.006 56.397 56.400 -0.015 0.000 0.950 509 E CB 0.277 29.966 29.700 -0.018 0.000 0.975 509 E HN 0.458 nan 8.360 nan 0.000 0.496 510 E N 0.665 120.874 120.200 0.015 0.000 2.284 510 E HA -0.219 4.123 4.350 -0.013 0.000 0.200 510 E C 1.686 178.284 176.600 -0.004 0.000 1.008 510 E CA 1.115 57.523 56.400 0.015 0.000 0.829 510 E CB -0.068 29.665 29.700 0.055 0.000 0.744 510 E HN 0.534 nan 8.360 nan 0.000 0.491 511 Y N -1.354 118.951 120.300 0.008 0.000 2.421 511 Y HA -0.016 4.527 4.550 -0.012 0.000 0.292 511 Y C 1.983 177.861 175.900 -0.036 0.000 1.136 511 Y CA 0.494 58.589 58.100 -0.007 0.000 1.255 511 Y CB -0.683 37.775 38.460 -0.003 0.000 0.991 511 Y HN -0.101 nan 8.280 nan 0.000 0.552 512 I N 1.017 121.117 120.570 -0.784 0.000 2.423 512 I HA -0.244 3.918 4.170 -0.013 0.000 0.254 512 I C 1.567 177.451 176.117 -0.390 0.000 1.151 512 I CA 1.836 62.741 61.300 -0.658 0.000 1.421 512 I CB -0.309 37.209 38.000 -0.804 0.000 1.079 512 I HN 0.477 nan 8.210 nan 0.000 0.431 513 S N -2.236 113.337 115.700 -0.212 0.000 2.749 513 S HA 0.206 4.668 4.470 -0.013 0.000 0.246 513 S C 0.155 174.744 174.600 -0.019 0.000 1.023 513 S CA -0.497 57.649 58.200 -0.090 0.000 1.012 513 S CB 0.383 63.598 63.200 0.024 0.000 0.942 513 S HN 0.267 nan 8.310 nan 0.000 0.531 514 D N 0.700 121.099 120.400 -0.002 0.000 3.118 514 D HA 0.228 4.860 4.640 -0.013 0.000 0.259 514 D C 0.437 176.784 176.300 0.078 0.000 1.292 514 D CA -0.350 53.670 54.000 0.034 0.000 0.784 514 D CB 0.256 41.080 40.800 0.039 0.000 1.413 514 D HN 0.085 nan 8.370 nan 0.000 0.583 515 L N 0.978 122.249 121.223 0.079 0.000 2.263 515 L HA -0.082 4.250 4.340 -0.013 0.000 0.216 515 L C 1.508 178.427 176.870 0.082 0.000 1.111 515 L CA 1.617 56.531 54.840 0.123 0.000 0.773 515 L CB -0.096 42.026 42.059 0.105 0.000 0.906 515 L HN 0.283 nan 8.230 nan 0.000 0.439 516 D N -0.829 119.597 120.400 0.043 0.000 2.221 516 D HA -0.208 4.424 4.640 -0.013 0.000 0.204 516 D C 1.883 178.199 176.300 0.028 0.000 0.982 516 D CA 0.829 54.839 54.000 0.016 0.000 0.857 516 D CB 0.034 40.832 40.800 -0.003 0.000 0.934 516 D HN 0.562 nan 8.370 nan 0.000 0.475 517 Q N -0.141 119.694 119.800 0.058 0.000 2.439 517 Q HA -0.107 4.225 4.340 -0.013 0.000 0.211 517 Q C 1.783 177.796 176.000 0.022 0.000 0.978 517 Q CA 0.166 56.004 55.803 0.058 0.000 0.897 517 Q CB 0.070 28.875 28.738 0.111 0.000 0.956 517 Q HN 0.208 nan 8.270 nan 0.000 0.483 518 L N 0.691 121.918 121.223 0.006 0.000 2.265 518 L HA -0.147 4.185 4.340 -0.013 0.000 0.215 518 L C 2.117 178.973 176.870 -0.024 0.000 1.117 518 L CA 1.449 56.255 54.840 -0.056 0.000 0.782 518 L CB -0.447 41.590 42.059 -0.037 0.000 0.914 518 L HN 0.126 nan 8.230 nan 0.000 0.441 519 R N -0.401 120.098 120.500 -0.002 0.000 2.139 519 R HA -0.190 4.142 4.340 -0.013 0.000 0.243 519 R C 1.966 178.269 176.300 0.005 0.000 1.145 519 R CA 1.125 57.227 56.100 0.003 0.000 0.976 519 R CB -0.265 30.035 30.300 -0.000 0.000 0.866 519 R HN 0.409 nan 8.270 nan 0.000 0.449 520 K N 0.627 121.030 120.400 0.005 0.000 2.360 520 K HA -0.117 4.195 4.320 -0.013 0.000 0.201 520 K C 1.836 178.474 176.600 0.064 0.000 1.046 520 K CA 0.802 57.104 56.287 0.024 0.000 0.940 520 K CB -0.097 32.423 32.500 0.033 0.000 0.748 520 K HN 0.259 nan 8.250 nan 0.000 0.465 521 L N 0.495 121.730 121.223 0.021 0.000 2.465 521 L HA -0.118 4.214 4.340 -0.013 0.000 0.224 521 L C 1.847 178.764 176.870 0.077 0.000 1.145 521 L CA 0.021 54.871 54.840 0.017 0.000 0.834 521 L CB -0.202 41.832 42.059 -0.043 0.000 0.944 521 L HN 0.130 nan 8.230 nan 0.000 0.451 522 L N 0.083 121.332 121.223 0.043 0.000 2.131 522 L HA -0.166 4.166 4.340 -0.013 0.000 0.210 522 L C 2.634 179.493 176.870 -0.018 0.000 1.092 522 L CA 1.838 56.693 54.840 0.024 0.000 0.759 522 L CB -0.900 41.161 42.059 0.004 0.000 0.903 522 L HN 0.322 nan 8.230 nan 0.000 0.435 523 S N -2.558 113.091 115.700 -0.085 0.000 2.727 523 S HA -0.073 4.389 4.470 -0.013 0.000 0.226 523 S C 1.005 175.322 174.600 -0.470 0.000 0.963 523 S CA 0.275 58.321 58.200 -0.257 0.000 0.950 523 S CB -0.601 62.399 63.200 -0.333 0.000 0.779 523 S HN 0.469 nan 8.310 nan 0.000 0.532 524 Y N -0.974 119.243 120.300 -0.138 0.000 2.588 524 Y HA 0.399 4.947 4.550 -0.004 0.000 0.247 524 Y C 1.818 177.723 175.900 0.008 0.000 1.157 524 Y CA -0.594 57.414 58.100 -0.155 0.000 1.215 524 Y CB 0.271 38.425 38.460 -0.511 0.000 1.245 524 Y HN 0.258 nan 8.280 nan 0.000 0.534 525 V N 0.489 120.476 119.914 0.123 0.000 2.688 525 V HA -0.224 3.888 4.120 -0.013 0.000 0.256 525 V C 0.964 177.125 176.094 0.111 0.000 1.084 525 V CA 2.367 64.749 62.300 0.137 0.000 1.103 525 V CB 0.003 31.871 31.823 0.075 0.000 0.688 525 V HN 0.346 nan 8.190 nan 0.000 0.480 526 D N -0.932 119.512 120.400 0.072 0.000 2.398 526 D HA 0.105 4.737 4.640 -0.013 0.000 0.210 526 D C 0.511 176.857 176.300 0.075 0.000 1.094 526 D CA -0.032 54.002 54.000 0.056 0.000 0.839 526 D CB 0.047 40.857 40.800 0.016 0.000 0.963 526 D HN 0.461 nan 8.370 nan 0.000 0.506 527 D N 1.698 122.173 120.400 0.126 0.000 2.363 527 D HA -0.060 4.572 4.640 -0.013 0.000 0.263 527 D C 1.191 177.593 176.300 0.170 0.000 1.258 527 D CA 0.110 54.208 54.000 0.163 0.000 0.907 527 D CB 1.406 42.379 40.800 0.288 0.000 1.107 527 D HN -0.186 nan 8.370 nan 0.000 0.495 528 E N 3.433 123.700 120.200 0.111 0.000 2.118 528 E HA -0.165 4.177 4.350 -0.013 0.000 0.195 528 E C 1.667 178.324 176.600 0.095 0.000 0.992 528 E CA 1.340 57.792 56.400 0.086 0.000 0.804 528 E CB -0.099 29.635 29.700 0.056 0.000 0.741 528 E HN 0.610 nan 8.360 nan 0.000 0.458 529 A N -0.283 122.611 122.820 0.122 0.000 1.841 529 A HA -0.132 4.181 4.320 -0.013 0.000 0.214 529 A C 2.285 179.958 177.584 0.149 0.000 1.195 529 A CA 1.320 53.428 52.037 0.118 0.000 0.611 529 A CB -1.129 17.947 19.000 0.127 0.000 0.835 529 A HN 0.395 nan 8.150 nan 0.000 0.443 530 F N 0.567 120.541 119.950 0.040 0.000 2.091 530 F HA -0.223 4.297 4.527 -0.011 0.000 0.299 530 F C 2.111 177.923 175.800 0.020 0.000 1.103 530 F CA 1.845 59.854 58.000 0.016 0.000 1.228 530 F CB -0.138 38.886 39.000 0.041 0.000 0.984 530 F HN 0.181 nan 8.300 nan 0.000 0.477 531 I N -0.062 120.572 120.570 0.106 0.000 2.194 531 I HA -0.362 3.801 4.170 -0.013 0.000 0.246 531 I C 2.559 178.640 176.117 -0.060 0.000 1.093 531 I CA 1.676 62.981 61.300 0.008 0.000 1.355 531 I CB -0.508 37.533 38.000 0.068 0.000 1.046 531 I HN 0.111 nan 8.210 nan 0.000 0.413 532 R N 0.823 121.306 120.500 -0.028 0.000 2.092 532 R HA -0.176 4.156 4.340 -0.013 0.000 0.231 532 R C 1.870 178.121 176.300 -0.081 0.000 1.119 532 R CA 1.734 57.810 56.100 -0.039 0.000 0.970 532 R CB -0.070 30.225 30.300 -0.009 0.000 0.864 532 R HN 0.284 nan 8.270 nan 0.000 0.440 533 D N -0.430 119.897 120.400 -0.121 0.000 2.084 533 D HA -0.118 4.514 4.640 -0.013 0.000 0.196 533 D C 1.939 178.097 176.300 -0.237 0.000 0.985 533 D CA 1.312 55.215 54.000 -0.162 0.000 0.826 533 D CB -0.294 40.407 40.800 -0.164 0.000 0.978 533 D HN 0.044 nan 8.370 nan 0.000 0.456 534 V N 1.543 121.214 119.914 -0.406 0.000 2.282 534 V HA -0.276 3.836 4.120 -0.013 0.000 0.249 534 V C 2.493 178.489 176.094 -0.164 0.000 1.057 534 V CA 2.014 64.097 62.300 -0.361 0.000 1.032 534 V CB -0.861 30.696 31.823 -0.442 0.000 0.645 534 V HN 0.203 nan 8.190 nan 0.000 0.447 535 A N -0.826 121.922 122.820 -0.120 0.000 2.015 535 A HA -0.220 4.092 4.320 -0.013 0.000 0.219 535 A C 2.364 179.911 177.584 -0.062 0.000 1.163 535 A CA 1.938 53.940 52.037 -0.058 0.000 0.646 535 A CB -0.416 18.557 19.000 -0.046 0.000 0.806 535 A HN 0.523 nan 8.150 nan 0.000 0.448 536 K N 0.234 120.589 120.400 -0.075 0.000 2.062 536 K HA -0.089 4.223 4.320 -0.013 0.000 0.205 536 K C 1.994 178.563 176.600 -0.051 0.000 1.051 536 K CA 1.625 57.877 56.287 -0.058 0.000 0.941 536 K CB -0.320 32.148 32.500 -0.054 0.000 0.719 536 K HN 0.420 nan 8.250 nan 0.000 0.440 537 V N -0.079 119.798 119.914 -0.061 0.000 2.407 537 V HA -0.179 3.933 4.120 -0.013 0.000 0.248 537 V C 2.233 178.310 176.094 -0.029 0.000 1.055 537 V CA 1.992 64.266 62.300 -0.043 0.000 1.049 537 V CB -0.656 31.136 31.823 -0.050 0.000 0.662 537 V HN 0.176 nan 8.190 nan 0.000 0.455 538 K N 0.674 121.055 120.400 -0.031 0.000 2.097 538 K HA -0.194 4.118 4.320 -0.013 0.000 0.206 538 K C 2.268 178.843 176.600 -0.042 0.000 1.049 538 K CA 2.079 58.355 56.287 -0.017 0.000 0.933 538 K CB -0.631 31.875 32.500 0.010 0.000 0.717 538 K HN 0.556 nan 8.250 nan 0.000 0.442 539 Q N 0.892 120.661 119.800 -0.053 0.000 2.167 539 Q HA -0.057 4.275 4.340 -0.013 0.000 0.202 539 Q C 1.594 177.570 176.000 -0.039 0.000 0.970 539 Q CA 1.741 57.503 55.803 -0.069 0.000 0.855 539 Q CB -0.003 28.698 28.738 -0.063 0.000 0.911 539 Q HN 0.510 nan 8.270 nan 0.000 0.438 540 E N -0.639 119.550 120.200 -0.019 0.000 2.072 540 E HA -0.119 4.224 4.350 -0.013 0.000 0.190 540 E C 1.639 178.256 176.600 0.029 0.000 0.982 540 E CA 0.854 57.256 56.400 0.004 0.000 0.803 540 E CB 0.039 29.740 29.700 0.002 0.000 0.755 540 E HN 0.372 nan 8.360 nan 0.000 0.453 541 N N 0.919 119.633 118.700 0.024 0.000 2.120 541 N HA -0.145 4.588 4.740 -0.013 0.000 0.188 541 N C 1.433 177.011 175.510 0.113 0.000 1.024 541 N CA 1.091 54.175 53.050 0.057 0.000 0.852 541 N CB -0.062 38.444 38.487 0.032 0.000 1.003 541 N HN 0.119 nan 8.380 nan 0.000 0.424 542 K N 0.399 120.828 120.400 0.049 0.000 2.097 542 K HA 0.038 4.350 4.320 -0.013 0.000 0.205 542 K C 2.040 178.742 176.600 0.170 0.000 1.050 542 K CA 0.585 56.908 56.287 0.059 0.000 0.938 542 K CB -0.092 32.193 32.500 -0.358 0.000 0.718 542 K HN 0.116 nan 8.250 nan 0.000 0.442 543 L N 1.047 122.322 121.223 0.087 0.000 2.093 543 L HA -0.142 4.190 4.340 -0.013 0.000 0.208 543 L C 2.585 179.538 176.870 0.139 0.000 1.085 543 L CA 1.054 55.953 54.840 0.098 0.000 0.755 543 L CB -0.246 41.844 42.059 0.052 0.000 0.904 543 L HN 0.100 nan 8.230 nan 0.000 0.435 544 K N -0.231 120.258 120.400 0.150 0.000 2.026 544 K HA -0.205 4.107 4.320 -0.013 0.000 0.208 544 K C 2.198 178.942 176.600 0.241 0.000 1.048 544 K CA 1.643 58.029 56.287 0.164 0.000 0.929 544 K CB -0.256 32.327 32.500 0.140 0.000 0.713 544 K HN 0.107 nan 8.250 nan 0.000 0.439 545 F N 1.423 121.462 119.950 0.147 0.000 2.146 545 F HA -0.118 4.401 4.527 -0.013 0.000 0.298 545 F C 2.116 178.059 175.800 0.239 0.000 1.096 545 F CA 1.277 59.387 58.000 0.182 0.000 1.275 545 F CB -0.463 38.651 39.000 0.190 0.000 1.008 545 F HN 0.035 nan 8.300 nan 0.000 0.480 546 A N 0.113 123.079 122.820 0.243 0.000 1.978 546 A HA -0.076 4.237 4.320 -0.013 0.000 0.220 546 A C 2.388 179.987 177.584 0.025 0.000 1.170 546 A CA 1.806 53.910 52.037 0.111 0.000 0.636 546 A CB -1.437 17.678 19.000 0.191 0.000 0.810 546 A HN 0.467 nan 8.150 nan 0.000 0.448 547 A N -1.315 121.550 122.820 0.075 0.000 1.854 547 A HA -0.033 4.279 4.320 -0.013 0.000 0.214 547 A C 2.129 179.739 177.584 0.043 0.000 1.192 547 A CA 1.494 53.570 52.037 0.066 0.000 0.611 547 A CB -0.910 18.142 19.000 0.087 0.000 0.832 547 A HN 0.785 nan 8.150 nan 0.000 0.442 548 Y N 0.146 120.398 120.300 -0.079 0.000 2.207 548 Y HA -0.196 4.346 4.550 -0.013 0.000 0.287 548 Y C 1.807 177.627 175.900 -0.132 0.000 1.156 548 Y CA 1.667 59.708 58.100 -0.099 0.000 1.182 548 Y CB -0.327 38.081 38.460 -0.085 0.000 0.979 548 Y HN 0.181 nan 8.280 nan 0.000 0.521 549 L N 0.762 121.926 121.223 -0.099 0.000 2.131 549 L HA -0.173 4.159 4.340 -0.013 0.000 0.210 549 L C 2.255 179.088 176.870 -0.061 0.000 1.092 549 L CA 1.813 56.584 54.840 -0.114 0.000 0.759 549 L CB -0.810 41.112 42.059 -0.227 0.000 0.903 549 L HN 0.363 nan 8.230 nan 0.000 0.435 550 E N -1.693 118.470 120.200 -0.062 0.000 2.140 550 E HA -0.069 4.273 4.350 -0.013 0.000 0.191 550 E C 2.285 178.838 176.600 -0.078 0.000 0.973 550 E CA 0.070 56.458 56.400 -0.019 0.000 0.829 550 E CB 0.119 29.844 29.700 0.042 0.000 0.781 550 E HN 0.325 nan 8.360 nan 0.000 0.466 551 R N 0.836 121.255 120.500 -0.134 0.000 2.082 551 R HA -0.150 4.183 4.340 -0.013 0.000 0.234 551 R C 1.671 177.803 176.300 -0.280 0.000 1.136 551 R CA 1.449 57.447 56.100 -0.169 0.000 0.935 551 R CB -0.026 30.181 30.300 -0.156 0.000 0.842 551 R HN 0.010 nan 8.270 nan 0.000 0.430 552 E N -1.763 118.125 120.200 -0.520 0.000 2.474 552 E HA -0.018 4.324 4.350 -0.013 0.000 0.194 552 E C -0.001 176.085 176.600 -0.857 0.000 1.041 552 E CA 0.420 56.372 56.400 -0.747 0.000 0.874 552 E CB 0.537 29.556 29.700 -1.136 0.000 0.914 552 E HN 0.329 nan 8.360 nan 0.000 0.498 553 Y N -0.275 119.888 120.300 -0.227 0.000 2.729 553 Y HA 0.225 4.766 4.550 -0.013 0.000 0.266 553 Y C -0.562 175.295 175.900 -0.071 0.000 1.064 553 Y CA -0.737 57.290 58.100 -0.122 0.000 1.251 553 Y CB 0.635 39.026 38.460 -0.115 0.000 1.379 553 Y HN -0.286 nan 8.280 nan 0.000 0.569 554 K N 1.226 121.648 120.400 0.038 0.000 5.423 554 K HA -0.147 4.165 4.320 -0.013 0.000 0.410 554 K C 0.526 177.170 176.600 0.073 0.000 0.929 554 K CA 1.022 57.334 56.287 0.042 0.000 1.129 554 K CB -1.239 31.277 32.500 0.027 0.000 1.934 554 K HN 0.432 nan 8.250 nan 0.000 0.348 555 V N -2.336 117.624 119.914 0.077 0.000 3.219 555 V HA 0.119 4.231 4.120 -0.013 0.000 0.214 555 V C 0.235 176.410 176.094 0.134 0.000 1.433 555 V CA 0.947 63.294 62.300 0.080 0.000 1.301 555 V CB -0.144 31.701 31.823 0.036 0.000 1.160 555 V HN 0.938 nan 8.190 nan 0.000 0.505 556 H N 1.455 120.525 119.070 0.001 0.000 4.024 556 H HA -0.079 4.469 4.556 -0.013 0.000 0.307 556 H C -0.746 174.588 175.328 0.010 0.000 0.778 556 H CA 0.490 56.544 56.048 0.010 0.000 0.888 556 H CB -0.819 28.953 29.762 0.017 0.000 1.321 556 H HN 0.975 nan 8.280 nan 0.000 0.330 557 I N 1.141 121.450 120.570 -0.436 0.000 2.892 557 I HA 0.483 4.645 4.170 -0.013 0.000 0.306 557 I C -0.019 175.921 176.117 -0.295 0.000 1.078 557 I CA -1.345 59.803 61.300 -0.254 0.000 1.032 557 I CB 2.034 39.956 38.000 -0.130 0.000 1.229 557 I HN 0.603 nan 8.210 nan 0.000 0.435 558 N N 4.380 123.036 118.700 -0.073 0.000 2.406 558 N HA 0.378 5.110 4.740 -0.013 0.000 0.251 558 N C -2.052 173.533 175.510 0.125 0.000 1.069 558 N CA -2.404 50.648 53.050 0.004 0.000 0.947 558 N CB 1.001 39.514 38.487 0.043 0.000 1.111 558 N HN 0.370 nan 8.380 nan 0.000 0.497 559 P HA 0.067 nan 4.420 nan 0.000 0.242 559 P C -0.168 177.081 177.300 -0.085 0.000 1.197 559 P CA 0.852 63.970 63.100 0.030 0.000 0.765 559 P CB 0.133 31.845 31.700 0.020 0.000 0.936 560 N N -1.157 117.537 118.700 -0.009 0.000 2.325 560 N HA 0.009 4.741 4.740 -0.013 0.000 0.182 560 N C 0.511 176.035 175.510 0.024 0.000 1.088 560 N CA -0.103 52.940 53.050 -0.012 0.000 0.879 560 N CB 0.157 38.653 38.487 0.016 0.000 0.983 560 N HN 0.124 nan 8.380 nan 0.000 0.471 561 S N 0.225 115.952 115.700 0.044 0.000 2.624 561 S HA 0.215 4.678 4.470 -0.013 0.000 0.263 561 S C 0.014 174.589 174.600 -0.043 0.000 1.287 561 S CA -0.865 57.358 58.200 0.039 0.000 0.990 561 S CB 1.036 64.278 63.200 0.071 0.000 0.950 561 S HN 0.162 nan 8.310 nan 0.000 0.561 562 L N 1.461 122.533 121.223 -0.253 0.000 2.360 562 L HA 0.400 4.732 4.340 -0.013 0.000 0.276 562 L C -0.942 175.907 176.870 -0.034 0.000 1.121 562 L CA -0.592 53.901 54.840 -0.579 0.000 0.845 562 L CB -0.057 41.375 42.059 -1.045 0.000 1.143 562 L HN 0.706 nan 8.230 nan 0.000 0.452 563 F N 4.169 123.981 119.950 -0.230 0.000 2.405 563 F HA 0.107 4.627 4.527 -0.012 0.000 0.358 563 F C 0.391 176.117 175.800 -0.123 0.000 1.151 563 F CA -0.821 57.110 58.000 -0.115 0.000 1.161 563 F CB 0.589 39.566 39.000 -0.038 0.000 1.245 563 F HN 0.518 nan 8.300 nan 0.000 0.545 564 D N 4.886 125.286 120.400 -0.001 0.000 2.428 564 D HA 0.215 4.847 4.640 -0.013 0.000 0.221 564 D C -0.995 175.243 176.300 -0.103 0.000 1.123 564 D CA 0.059 54.013 54.000 -0.077 0.000 0.869 564 D CB 1.269 42.012 40.800 -0.096 0.000 1.032 564 D HN 0.260 nan 8.370 nan 0.000 0.506 565 V N 2.893 122.732 119.914 -0.125 0.000 2.656 565 V HA 0.560 4.672 4.120 -0.013 0.000 0.307 565 V C -1.367 174.594 176.094 -0.221 0.000 1.051 565 V CA -0.694 61.521 62.300 -0.142 0.000 0.893 565 V CB 1.944 33.734 31.823 -0.054 0.000 0.999 565 V HN 0.487 nan 8.190 nan 0.000 0.426 566 Q N 4.449 124.132 119.800 -0.194 0.000 2.394 566 Q HA 0.672 5.004 4.340 -0.013 0.000 0.261 566 Q C -1.467 174.384 176.000 -0.248 0.000 1.023 566 Q CA -0.639 55.038 55.803 -0.211 0.000 0.720 566 Q CB 1.870 30.506 28.738 -0.170 0.000 1.241 566 Q HN 1.138 nan 8.270 nan 0.000 0.483 567 V N 2.119 121.874 119.914 -0.266 0.000 2.483 567 V HA 0.863 4.975 4.120 -0.013 0.000 0.297 567 V C -0.859 174.952 176.094 -0.472 0.000 1.027 567 V CA -0.587 61.357 62.300 -0.594 0.000 0.855 567 V CB 1.335 32.569 31.823 -0.981 0.000 0.995 567 V HN 0.808 nan 8.190 nan 0.000 0.424 568 K N 2.660 122.832 120.400 -0.381 0.000 3.040 568 K HA 0.374 4.686 4.320 -0.013 0.000 0.300 568 K C -1.346 175.274 176.600 0.034 0.000 1.092 568 K CA -1.023 55.236 56.287 -0.048 0.000 0.831 568 K CB 0.962 33.436 32.500 -0.043 0.000 1.469 568 K HN 0.509 nan 8.250 nan 0.000 0.365 569 R N 0.884 121.475 120.500 0.152 0.000 2.679 569 R HA 0.185 4.517 4.340 -0.013 0.000 0.268 569 R C 0.406 176.777 176.300 0.119 0.000 1.044 569 R CA -0.349 55.862 56.100 0.184 0.000 1.105 569 R CB -0.131 30.349 30.300 0.301 0.000 0.989 569 R HN 0.457 nan 8.270 nan 0.000 0.447 570 I N 4.920 125.492 120.570 0.004 0.000 2.436 570 I HA 0.088 4.250 4.170 -0.013 0.000 0.289 570 I C 0.774 176.709 176.117 -0.302 0.000 1.083 570 I CA 0.647 61.878 61.300 -0.116 0.000 1.372 570 I CB -0.347 37.576 38.000 -0.128 0.000 1.408 570 I HN 0.278 nan 8.210 nan 0.000 0.516 571 H N 4.469 123.448 119.070 -0.151 0.000 2.930 571 H HA 0.237 4.785 4.556 -0.013 0.000 0.371 571 H C 0.389 175.595 175.328 -0.204 0.000 1.169 571 H CA -0.511 55.492 56.048 -0.076 0.000 1.157 571 H CB 2.146 31.815 29.762 -0.155 0.000 1.789 571 H HN 0.494 nan 8.280 nan 0.000 0.547 572 E N 1.030 121.264 120.200 0.058 0.000 2.106 572 E HA -0.192 4.150 4.350 -0.013 0.000 0.192 572 E C 1.480 177.799 176.600 -0.468 0.000 0.984 572 E CA 1.397 57.756 56.400 -0.068 0.000 0.806 572 E CB 0.019 29.867 29.700 0.247 0.000 0.750 572 E HN 0.560 nan 8.360 nan 0.000 0.458 573 Y N 0.696 120.437 120.300 -0.932 0.000 2.421 573 Y HA -0.010 4.532 4.550 -0.013 0.000 0.292 573 Y C 1.512 177.148 175.900 -0.440 0.000 1.136 573 Y CA 0.694 58.099 58.100 -1.159 0.000 1.255 573 Y CB -0.014 37.832 38.460 -1.023 0.000 0.991 573 Y HN -0.205 nan 8.280 nan 0.000 0.552 574 K N 0.981 120.897 120.400 -0.807 0.000 2.366 574 K HA 0.025 4.337 4.320 -0.013 0.000 0.198 574 K C 0.175 176.592 176.600 -0.304 0.000 1.044 574 K CA 0.656 56.594 56.287 -0.582 0.000 0.973 574 K CB -0.124 32.062 32.500 -0.524 0.000 0.767 574 K HN 0.409 nan 8.250 nan 0.000 0.475 575 R N 0.840 121.189 120.500 -0.253 0.000 3.336 575 R HA -0.201 4.131 4.340 -0.013 0.000 0.260 575 R C 0.452 176.669 176.300 -0.140 0.000 1.032 575 R CA 0.239 56.245 56.100 -0.156 0.000 0.693 575 R CB -1.860 28.366 30.300 -0.124 0.000 1.134 575 R HN 0.289 nan 8.270 nan 0.000 0.433 576 Q N 0.331 120.049 119.800 -0.137 0.000 2.291 576 Q HA -0.017 4.315 4.340 -0.013 0.000 0.206 576 Q C 2.054 178.002 176.000 -0.086 0.000 0.976 576 Q CA 1.254 56.991 55.803 -0.109 0.000 0.875 576 Q CB 0.068 28.745 28.738 -0.102 0.000 0.927 576 Q HN 0.577 nan 8.270 nan 0.000 0.450 577 L N -0.584 120.590 121.223 -0.082 0.000 2.093 577 L HA -0.171 4.161 4.340 -0.013 0.000 0.208 577 L C 1.985 178.852 176.870 -0.004 0.000 1.085 577 L CA 0.542 55.348 54.840 -0.056 0.000 0.755 577 L CB -0.279 41.755 42.059 -0.042 0.000 0.904 577 L HN 0.324 nan 8.230 nan 0.000 0.435 578 L N 0.021 121.233 121.223 -0.019 0.000 2.046 578 L HA -0.247 4.085 4.340 -0.013 0.000 0.208 578 L C 2.024 178.937 176.870 0.072 0.000 1.077 578 L CA 1.952 56.794 54.840 0.003 0.000 0.747 578 L CB -0.791 41.164 42.059 -0.173 0.000 0.896 578 L HN 0.281 nan 8.230 nan 0.000 0.432 579 N N -1.644 117.066 118.700 0.016 0.000 2.104 579 N HA -0.243 4.489 4.740 -0.013 0.000 0.190 579 N C 1.946 177.542 175.510 0.143 0.000 1.024 579 N CA 1.633 54.773 53.050 0.151 0.000 0.853 579 N CB -0.152 38.359 38.487 0.041 0.000 1.008 579 N HN 0.501 nan 8.380 nan 0.000 0.424 580 C N 0.564 119.883 119.300 0.031 0.000 2.413 580 C HA -0.087 4.365 4.460 -0.013 0.000 0.276 580 C C 2.599 177.589 174.990 -0.000 0.000 1.248 580 C CA 0.404 59.395 59.018 -0.044 0.000 1.742 580 C CB -1.262 26.397 27.740 -0.135 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.362 120.922 121.223 0.101 0.000 2.046 581 L HA -0.207 4.125 4.340 -0.013 0.000 0.208 581 L C 2.772 179.802 176.870 0.266 0.000 1.077 581 L CA 1.865 56.814 54.840 0.182 0.000 0.747 581 L CB -1.041 41.198 42.059 0.300 0.000 0.896 581 L HN 0.592 nan 8.230 nan 0.000 0.432 582 H N -0.126 119.059 119.070 0.193 0.000 2.326 582 H HA -0.134 4.414 4.556 -0.013 0.000 0.301 582 H C 2.243 177.573 175.328 0.002 0.000 1.081 582 H CA 1.890 57.973 56.048 0.059 0.000 1.334 582 H CB 0.303 30.044 29.762 -0.036 0.000 1.385 582 H HN 0.095 nan 8.280 nan 0.000 0.504 583 V N 1.525 121.380 119.914 -0.097 0.000 2.332 583 V HA -0.267 3.846 4.120 -0.013 0.000 0.248 583 V C 2.812 178.848 176.094 -0.097 0.000 1.055 583 V CA 1.847 64.047 62.300 -0.166 0.000 1.038 583 V CB -0.486 31.282 31.823 -0.092 0.000 0.651 583 V HN 0.392 nan 8.190 nan 0.000 0.450 584 I N -0.362 120.185 120.570 -0.039 0.000 2.394 584 I HA -0.196 3.966 4.170 -0.013 0.000 0.251 584 I C 2.467 178.648 176.117 0.106 0.000 1.136 584 I CA 1.546 62.890 61.300 0.073 0.000 1.425 584 I CB -0.564 37.456 38.000 0.033 0.000 1.079 584 I HN 0.313 nan 8.210 nan 0.000 0.425 585 T N 1.124 115.694 114.554 0.027 0.000 2.708 585 T HA -0.135 4.207 4.350 -0.013 0.000 0.266 585 T C 1.874 176.528 174.700 -0.075 0.000 1.037 585 T CA 1.181 63.286 62.100 0.008 0.000 1.146 585 T CB -0.211 68.682 68.868 0.042 0.000 0.865 585 T HN 0.080 nan 8.240 nan 0.000 0.435 586 L N 0.152 121.262 121.223 -0.188 0.000 2.017 586 L HA -0.027 4.305 4.340 -0.013 0.000 0.208 586 L C 2.117 178.946 176.870 -0.069 0.000 1.073 586 L CA 1.617 56.341 54.840 -0.194 0.000 0.745 586 L CB -0.937 40.938 42.059 -0.306 0.000 0.894 586 L HN 0.366 nan 8.230 nan 0.000 0.432 587 Y N 0.017 120.253 120.300 -0.107 0.000 2.181 587 Y HA -0.281 4.261 4.550 -0.013 0.000 0.288 587 Y C 2.400 178.279 175.900 -0.036 0.000 1.146 587 Y CA 1.759 59.834 58.100 -0.041 0.000 1.164 587 Y CB -0.089 38.391 38.460 0.034 0.000 0.982 587 Y HN 0.268 nan 8.280 nan 0.000 0.515 588 N N 0.425 119.069 118.700 -0.094 0.000 2.188 588 N HA -0.119 4.613 4.740 -0.013 0.000 0.184 588 N C 1.774 177.167 175.510 -0.195 0.000 1.018 588 N CA 1.383 54.318 53.050 -0.191 0.000 0.858 588 N CB -0.290 38.153 38.487 -0.073 0.000 0.989 588 N HN 0.446 nan 8.380 nan 0.000 0.426 589 R N 0.223 120.636 120.500 -0.144 0.000 2.092 589 R HA 0.102 4.434 4.340 -0.013 0.000 0.231 589 R C 2.145 178.358 176.300 -0.145 0.000 1.119 589 R CA 0.665 56.690 56.100 -0.125 0.000 0.970 589 R CB -0.186 30.052 30.300 -0.104 0.000 0.864 589 R HN 0.228 nan 8.270 nan 0.000 0.440 590 I N 0.972 121.435 120.570 -0.180 0.000 2.202 590 I HA -0.257 3.905 4.170 -0.013 0.000 0.242 590 I C 2.036 178.036 176.117 -0.195 0.000 1.091 590 I CA 1.189 62.385 61.300 -0.173 0.000 1.368 590 I CB -0.113 37.788 38.000 -0.166 0.000 1.058 590 I HN 0.016 nan 8.210 nan 0.000 0.410 591 K N 0.697 120.916 120.400 -0.301 0.000 2.209 591 K HA -0.202 4.110 4.320 -0.013 0.000 0.204 591 K C 2.005 178.506 176.600 -0.165 0.000 1.048 591 K CA 1.059 57.185 56.287 -0.269 0.000 0.940 591 K CB -0.273 31.986 32.500 -0.402 0.000 0.729 591 K HN 0.132 nan 8.250 nan 0.000 0.451 592 K N 1.915 122.224 120.400 -0.152 0.000 2.031 592 K HA -0.080 4.232 4.320 -0.013 0.000 0.205 592 K C 0.171 176.724 176.600 -0.078 0.000 1.049 592 K CA 1.315 57.540 56.287 -0.104 0.000 0.939 592 K CB 0.244 32.686 32.500 -0.096 0.000 0.717 592 K HN 0.108 nan 8.250 nan 0.000 0.438 593 E N 0.641 120.794 120.200 -0.078 0.000 3.037 593 E HA 0.178 4.520 4.350 -0.013 0.000 0.220 593 E C -2.301 174.265 176.600 -0.057 0.000 1.142 593 E CA -1.743 54.624 56.400 -0.055 0.000 0.888 593 E CB 1.491 31.166 29.700 -0.043 0.000 1.329 593 E HN 0.119 nan 8.360 nan 0.000 0.409 594 P HA -0.160 nan 4.420 nan 0.000 0.216 594 P C 0.298 177.581 177.300 -0.029 0.000 1.150 594 P CA 1.239 64.309 63.100 -0.051 0.000 0.837 594 P CB 0.161 31.835 31.700 -0.043 0.000 0.786 595 N N -1.175 117.517 118.700 -0.014 0.000 2.313 595 N HA 0.021 4.753 4.740 -0.013 0.000 0.207 595 N C 0.460 175.986 175.510 0.026 0.000 1.141 595 N CA -0.038 53.017 53.050 0.008 0.000 0.830 595 N CB 0.026 38.518 38.487 0.009 0.000 1.008 595 N HN 0.051 nan 8.380 nan 0.000 0.481 596 K N 1.057 121.466 120.400 0.014 0.000 2.130 596 K HA 0.171 4.483 4.320 -0.013 0.000 0.268 596 K C -0.923 175.715 176.600 0.064 0.000 0.983 596 K CA -0.589 55.723 56.287 0.041 0.000 0.893 596 K CB 0.769 33.275 32.500 0.010 0.000 1.066 596 K HN -0.037 nan 8.250 nan 0.000 0.450 597 F N 4.221 124.159 119.950 -0.020 0.000 2.429 597 F HA 0.291 4.811 4.527 -0.013 0.000 0.348 597 F C -0.470 175.318 175.800 -0.021 0.000 1.109 597 F CA -0.152 57.837 58.000 -0.018 0.000 1.232 597 F CB 0.776 39.768 39.000 -0.013 0.000 1.157 597 F HN 0.200 nan 8.300 nan 0.000 0.564 598 V N 3.632 122.887 119.914 -1.100 0.000 2.971 598 V HA 0.509 4.622 4.120 -0.013 0.000 0.309 598 V C -0.979 174.479 176.094 -1.061 0.000 1.130 598 V CA -1.215 60.626 62.300 -0.764 0.000 0.964 598 V CB 0.927 32.522 31.823 -0.379 0.000 1.029 598 V HN 0.626 nan 8.190 nan 0.000 0.427 599 V N 4.575 124.189 119.914 -0.500 0.000 2.458 599 V HA 0.206 4.318 4.120 -0.013 0.000 0.287 599 V C -1.805 174.141 176.094 -0.247 0.000 1.009 599 V CA -0.441 61.709 62.300 -0.249 0.000 1.091 599 V CB 0.399 32.202 31.823 -0.034 0.000 0.960 599 V HN 0.910 nan 8.190 nan 0.000 0.476 600 P HA 0.320 nan 4.420 nan 0.000 0.268 600 P C -0.421 176.803 177.300 -0.126 0.000 1.205 600 P CA -0.037 62.982 63.100 -0.136 0.000 0.771 600 P CB 0.538 32.202 31.700 -0.060 0.000 0.858 601 R N 0.701 121.136 120.500 -0.108 0.000 2.725 601 R HA 0.585 4.917 4.340 -0.013 0.000 0.277 601 R C -0.910 175.356 176.300 -0.057 0.000 0.987 601 R CA -0.574 55.464 56.100 -0.104 0.000 0.901 601 R CB 1.970 32.190 30.300 -0.133 0.000 1.207 601 R HN 0.285 nan 8.270 nan 0.000 0.463 602 T N 2.003 116.541 114.554 -0.027 0.000 2.842 602 T HA 0.225 4.567 4.350 -0.013 0.000 0.308 602 T C -0.962 173.658 174.700 -0.132 0.000 1.041 602 T CA -0.528 61.519 62.100 -0.088 0.000 0.964 602 T CB 1.172 69.943 68.868 -0.160 0.000 0.972 602 T HN 0.318 nan 8.240 nan 0.000 0.460 603 V N 5.687 125.528 119.914 -0.121 0.000 2.370 603 V HA 0.699 4.811 4.120 -0.013 0.000 0.279 603 V C -0.627 175.388 176.094 -0.132 0.000 1.029 603 V CA -0.696 61.535 62.300 -0.114 0.000 0.870 603 V CB 0.779 32.556 31.823 -0.077 0.000 0.984 603 V HN 0.870 nan 8.190 nan 0.000 0.451 604 M N 7.652 127.161 119.600 -0.152 0.000 2.227 604 M HA 0.607 5.080 4.480 -0.013 0.000 0.335 604 M C -0.947 175.251 176.300 -0.171 0.000 1.053 604 M CA -0.238 54.965 55.300 -0.162 0.000 0.973 604 M CB 1.990 34.485 32.600 -0.175 0.000 1.623 604 M HN 0.501 nan 8.290 nan 0.000 0.434 605 I N 1.896 122.356 120.570 -0.184 0.000 2.465 605 I HA 0.814 4.977 4.170 -0.013 0.000 0.291 605 I C 0.076 175.915 176.117 -0.464 0.000 1.014 605 I CA -0.621 60.555 61.300 -0.208 0.000 1.093 605 I CB 2.226 40.193 38.000 -0.054 0.000 1.267 605 I HN 0.812 nan 8.210 nan 0.000 0.431 606 G N 3.053 111.539 108.800 -0.524 0.000 2.696 606 G HA2 0.831 4.783 3.960 -0.013 0.000 0.295 606 G HA3 0.831 4.783 3.960 -0.013 0.000 0.295 606 G C -1.012 173.616 174.900 -0.454 0.000 1.398 606 G CA -0.810 43.829 45.100 -0.768 0.000 0.920 606 G HN 0.975 nan 8.290 nan 0.000 0.492 607 G N -0.286 108.389 108.800 -0.208 0.000 2.352 607 G HA2 0.417 4.369 3.960 -0.013 0.000 0.303 607 G HA3 0.417 4.369 3.960 -0.013 0.000 0.303 607 G C -1.349 173.688 174.900 0.229 0.000 1.593 607 G CA -1.038 44.103 45.100 0.068 0.000 0.963 607 G HN 0.604 nan 8.290 nan 0.000 0.685 608 K N -0.100 120.429 120.400 0.216 0.000 2.110 608 K HA 0.758 5.070 4.320 -0.013 0.000 0.263 608 K C 0.261 176.992 176.600 0.218 0.000 0.975 608 K CA -0.183 56.246 56.287 0.238 0.000 0.895 608 K CB 1.994 34.542 32.500 0.080 0.000 1.060 608 K HN 0.869 nan 8.250 nan 0.000 0.448 609 A N 1.462 124.448 122.820 0.275 0.000 2.324 609 A HA 0.664 4.976 4.320 -0.013 0.000 0.330 609 A C -0.551 177.219 177.584 0.310 0.000 1.165 609 A CA -0.759 51.381 52.037 0.171 0.000 0.813 609 A CB 1.103 20.135 19.000 0.054 0.000 1.197 609 A HN 0.773 nan 8.150 nan 0.000 0.484 610 A N 3.481 126.471 122.820 0.283 0.000 2.520 610 A HA 0.480 4.792 4.320 -0.013 0.000 0.245 610 A C -1.346 176.370 177.584 0.221 0.000 1.072 610 A CA -0.847 51.376 52.037 0.310 0.000 0.761 610 A CB -0.388 18.787 19.000 0.291 0.000 1.004 610 A HN 0.597 nan 8.150 nan 0.000 0.499 611 P HA -0.193 nan 4.420 nan 0.000 0.218 611 P C 1.375 178.707 177.300 0.054 0.000 1.154 611 P CA 2.201 65.284 63.100 -0.029 0.000 0.872 611 P CB 0.175 31.801 31.700 -0.123 0.000 0.790 612 G N -3.247 105.620 108.800 0.111 0.000 3.042 612 G HA2 -0.101 3.851 3.960 -0.013 0.000 0.212 612 G HA3 -0.101 3.851 3.960 -0.013 0.000 0.212 612 G C -0.028 174.993 174.900 0.201 0.000 1.166 612 G CA -0.181 44.993 45.100 0.123 0.000 0.767 612 G HN 0.308 nan 8.290 nan 0.000 0.546 613 Y N 1.735 122.080 120.300 0.074 0.000 2.594 613 Y HA 0.153 4.695 4.550 -0.013 0.000 0.344 613 Y C 1.829 177.777 175.900 0.080 0.000 1.185 613 Y CA -1.025 57.117 58.100 0.069 0.000 1.565 613 Y CB 0.175 38.658 38.460 0.037 0.000 1.415 613 Y HN 0.354 nan 8.280 nan 0.000 0.488 614 H N 3.300 122.522 119.070 0.252 0.000 2.289 614 H HA -0.281 4.268 4.556 -0.013 0.000 0.296 614 H C 2.017 177.395 175.328 0.083 0.000 1.091 614 H CA 2.802 58.932 56.048 0.136 0.000 1.274 614 H CB 0.152 29.978 29.762 0.107 0.000 1.364 614 H HN 0.681 nan 8.280 nan 0.000 0.490 615 M N 0.574 120.149 119.600 -0.043 0.000 2.082 615 M HA -0.111 4.361 4.480 -0.013 0.000 0.258 615 M C 2.429 178.505 176.300 -0.372 0.000 1.069 615 M CA 2.028 57.217 55.300 -0.184 0.000 1.102 615 M CB -1.118 31.509 32.600 0.045 0.000 1.336 615 M HN 0.432 nan 8.290 nan 0.000 0.404 616 A N -0.704 121.694 122.820 -0.703 0.000 1.972 616 A HA -0.204 4.108 4.320 -0.013 0.000 0.219 616 A C 2.196 179.586 177.584 -0.323 0.000 1.169 616 A CA 1.929 53.549 52.037 -0.694 0.000 0.635 616 A CB -0.650 17.706 19.000 -1.074 0.000 0.810 616 A HN 0.616 nan 8.150 nan 0.000 0.446 617 K N -1.225 119.048 120.400 -0.210 0.000 2.228 617 K HA 0.052 4.364 4.320 -0.013 0.000 0.202 617 K C 1.785 178.343 176.600 -0.070 0.000 1.051 617 K CA 0.883 57.129 56.287 -0.067 0.000 0.960 617 K CB -0.125 32.410 32.500 0.059 0.000 0.743 617 K HN 0.326 nan 8.250 nan 0.000 0.458 618 M N 0.436 119.939 119.600 -0.162 0.000 2.254 618 M HA -0.032 4.440 4.480 -0.013 0.000 0.265 618 M C 2.003 178.239 176.300 -0.107 0.000 1.066 618 M CA 1.348 56.588 55.300 -0.099 0.000 1.123 618 M CB -0.421 32.083 32.600 -0.160 0.000 1.388 618 M HN 0.120 nan 8.290 nan 0.000 0.425 619 I N -0.381 120.084 120.570 -0.175 0.000 2.353 619 I HA -0.261 3.902 4.170 -0.013 0.000 0.248 619 I C 2.246 178.219 176.117 -0.240 0.000 1.119 619 I CA 0.882 62.064 61.300 -0.196 0.000 1.417 619 I CB -0.234 37.650 38.000 -0.193 0.000 1.078 619 I HN 0.147 nan 8.210 nan 0.000 0.421 620 I N 0.759 121.169 120.570 -0.267 0.000 2.286 620 I HA -0.298 3.864 4.170 -0.013 0.000 0.248 620 I C 2.573 178.392 176.117 -0.496 0.000 1.115 620 I CA 1.199 62.242 61.300 -0.428 0.000 1.392 620 I CB -0.240 37.507 38.000 -0.422 0.000 1.065 620 I HN 0.156 nan 8.210 nan 0.000 0.418 621 K N 1.462 121.600 120.400 -0.436 0.000 2.057 621 K HA -0.135 4.177 4.320 -0.013 0.000 0.206 621 K C 2.015 178.455 176.600 -0.266 0.000 1.050 621 K CA 1.443 57.402 56.287 -0.546 0.000 0.935 621 K CB -0.549 31.410 32.500 -0.902 0.000 0.715 621 K HN 0.221 nan 8.250 nan 0.000 0.439 622 L N 0.352 121.436 121.223 -0.232 0.000 2.017 622 L HA -0.162 4.170 4.340 -0.013 0.000 0.208 622 L C 2.171 178.790 176.870 -0.419 0.000 1.073 622 L CA 1.655 56.178 54.840 -0.530 0.000 0.745 622 L CB -0.293 41.380 42.059 -0.643 0.000 0.894 622 L HN 0.250 nan 8.230 nan 0.000 0.432 623 I N -0.130 120.243 120.570 -0.328 0.000 2.163 623 I HA -0.349 3.813 4.170 -0.013 0.000 0.243 623 I C 2.632 178.625 176.117 -0.206 0.000 1.085 623 I CA 2.008 63.165 61.300 -0.238 0.000 1.347 623 I CB -0.621 37.301 38.000 -0.130 0.000 1.044 623 I HN 0.434 nan 8.210 nan 0.000 0.408 624 T N -0.860 113.542 114.554 -0.253 0.000 2.867 624 T HA -0.065 4.278 4.350 -0.013 0.000 0.268 624 T C 1.951 176.579 174.700 -0.119 0.000 1.057 624 T CA 0.934 62.926 62.100 -0.181 0.000 1.136 624 T CB -0.448 68.270 68.868 -0.249 0.000 0.874 624 T HN 0.347 nan 8.240 nan 0.000 0.466 625 A N 1.183 123.930 122.820 -0.123 0.000 1.969 625 A HA 0.195 4.507 4.320 -0.013 0.000 0.218 625 A C 2.337 179.928 177.584 0.013 0.000 1.169 625 A CA 1.038 53.075 52.037 0.000 0.000 0.635 625 A CB -0.745 18.349 19.000 0.158 0.000 0.810 625 A HN 0.592 nan 8.150 nan 0.000 0.445 626 I N -0.460 120.005 120.570 -0.175 0.000 2.202 626 I HA -0.153 4.009 4.170 -0.013 0.000 0.242 626 I C 2.697 178.765 176.117 -0.082 0.000 1.091 626 I CA 1.090 62.256 61.300 -0.223 0.000 1.368 626 I CB -0.520 37.230 38.000 -0.415 0.000 1.058 626 I HN 0.379 nan 8.210 nan 0.000 0.410 627 G N 0.271 109.016 108.800 -0.092 0.000 2.450 627 G HA2 -0.252 3.700 3.960 -0.013 0.000 0.220 627 G HA3 -0.252 3.700 3.960 -0.013 0.000 0.220 627 G C 1.220 176.093 174.900 -0.045 0.000 1.130 627 G CA 0.924 45.978 45.100 -0.078 0.000 0.760 627 G HN 0.281 nan 8.290 nan 0.000 0.557 628 D N -0.051 120.369 120.400 0.033 0.000 2.178 628 D HA -0.059 4.573 4.640 -0.013 0.000 0.201 628 D C 2.694 179.095 176.300 0.168 0.000 0.980 628 D CA 0.527 54.618 54.000 0.150 0.000 0.842 628 D CB -0.088 40.774 40.800 0.104 0.000 0.948 628 D HN 0.255 nan 8.370 nan 0.000 0.472 629 V N 0.082 120.031 119.914 0.058 0.000 2.300 629 V HA -0.134 3.978 4.120 -0.013 0.000 0.241 629 V C 2.590 178.628 176.094 -0.093 0.000 1.034 629 V CA 0.744 63.028 62.300 -0.027 0.000 1.021 629 V CB -0.387 31.392 31.823 -0.073 0.000 0.662 629 V HN 0.019 nan 8.190 nan 0.000 0.458 630 V N 1.071 120.862 119.914 -0.204 0.000 2.255 630 V HA -0.237 3.875 4.120 -0.013 0.000 0.247 630 V C 2.116 178.148 176.094 -0.102 0.000 1.051 630 V CA 2.170 64.344 62.300 -0.210 0.000 1.018 630 V CB -0.925 30.773 31.823 -0.209 0.000 0.641 630 V HN 0.580 nan 8.190 nan 0.000 0.445 631 N N -0.405 118.169 118.700 -0.210 0.000 2.609 631 N HA -0.094 4.638 4.740 -0.013 0.000 0.190 631 N C 1.026 176.206 175.510 -0.550 0.000 1.157 631 N CA 0.886 53.716 53.050 -0.366 0.000 0.918 631 N CB -0.311 37.894 38.487 -0.470 0.000 0.978 631 N HN 0.713 nan 8.380 nan 0.000 0.448 632 H N -1.778 117.303 119.070 0.018 0.000 2.916 632 H HA 0.199 4.747 4.556 -0.013 0.000 0.262 632 H C -0.622 174.729 175.328 0.038 0.000 1.178 632 H CA -0.528 55.533 56.048 0.021 0.000 1.090 632 H CB 0.721 30.484 29.762 0.003 0.000 1.657 632 H HN -0.039 nan 8.280 nan 0.000 0.601 633 D N 1.744 122.218 120.400 0.123 0.000 2.316 633 D HA 0.058 4.690 4.640 -0.013 0.000 0.245 633 D C -1.612 174.752 176.300 0.106 0.000 1.171 633 D CA -2.193 51.897 54.000 0.149 0.000 0.856 633 D CB 1.765 42.728 40.800 0.271 0.000 1.090 633 D HN 0.099 nan 8.370 nan 0.000 0.476 634 P HA -0.116 nan 4.420 nan 0.000 0.218 634 P C 1.590 178.917 177.300 0.045 0.000 1.149 634 P CA 0.336 63.470 63.100 0.058 0.000 0.817 634 P CB 0.429 32.158 31.700 0.048 0.000 0.785 635 V N -0.521 119.419 119.914 0.044 0.000 2.515 635 V HA -0.158 3.954 4.120 -0.013 0.000 0.250 635 V C 2.417 178.519 176.094 0.014 0.000 1.058 635 V CA 1.468 63.780 62.300 0.019 0.000 1.064 635 V CB -0.874 30.949 31.823 0.000 0.000 0.675 635 V HN -0.021 nan 8.190 nan 0.000 0.461 636 V N -0.348 119.592 119.914 0.043 0.000 2.453 636 V HA 0.142 4.255 4.120 -0.013 0.000 0.247 636 V C 1.736 177.842 176.094 0.021 0.000 1.048 636 V CA 1.285 63.609 62.300 0.040 0.000 1.049 636 V CB -1.096 30.796 31.823 0.115 0.000 0.672 636 V HN 0.720 nan 8.190 nan 0.000 0.457 637 G N 1.674 110.491 108.800 0.030 0.000 2.566 637 G HA2 -0.394 3.558 3.960 -0.013 0.000 0.280 637 G HA3 -0.394 3.558 3.960 -0.013 0.000 0.280 637 G C 0.212 175.125 174.900 0.020 0.000 1.225 637 G CA 0.544 45.659 45.100 0.025 0.000 0.966 637 G HN 0.731 nan 8.290 nan 0.000 0.560 638 D N -0.181 120.231 120.400 0.021 0.000 2.395 638 D HA 0.330 4.962 4.640 -0.013 0.000 0.226 638 D C 1.813 178.110 176.300 -0.004 0.000 1.146 638 D CA 0.156 54.169 54.000 0.021 0.000 0.830 638 D CB 0.162 40.991 40.800 0.047 0.000 0.958 638 D HN 0.560 nan 8.370 nan 0.000 0.501 639 R N -0.721 119.765 120.500 -0.023 0.000 2.161 639 R HA 0.260 4.592 4.340 -0.013 0.000 0.213 639 R C -0.139 176.121 176.300 -0.067 0.000 1.055 639 R CA 0.331 56.392 56.100 -0.065 0.000 0.996 639 R CB 0.185 30.428 30.300 -0.096 0.000 0.901 639 R HN 0.168 nan 8.270 nan 0.000 0.456 640 L N 0.629 121.830 121.223 -0.037 0.000 2.476 640 L HA 0.419 4.751 4.340 -0.013 0.000 0.269 640 L C -1.560 175.287 176.870 -0.038 0.000 0.965 640 L CA -0.568 54.249 54.840 -0.039 0.000 0.845 640 L CB 1.791 43.843 42.059 -0.012 0.000 1.259 640 L HN -0.138 nan 8.230 nan 0.000 0.403 641 R N 4.032 124.497 120.500 -0.059 0.000 2.513 641 R HA 0.691 5.023 4.340 -0.013 0.000 0.301 641 R C -1.574 174.672 176.300 -0.090 0.000 0.968 641 R CA -0.734 55.321 56.100 -0.076 0.000 0.872 641 R CB 2.317 32.572 30.300 -0.075 0.000 1.177 641 R HN 0.406 nan 8.270 nan 0.000 0.444 642 V N 5.407 125.265 119.914 -0.093 0.000 2.334 642 V HA 0.445 4.557 4.120 -0.013 0.000 0.281 642 V C -0.184 175.866 176.094 -0.073 0.000 1.016 642 V CA -0.651 61.596 62.300 -0.088 0.000 0.832 642 V CB 1.462 33.229 31.823 -0.094 0.000 0.999 642 V HN 0.528 nan 8.190 nan 0.000 0.439 643 I N 5.079 125.605 120.570 -0.073 0.000 2.436 643 I HA 0.435 4.597 4.170 -0.013 0.000 0.289 643 I C -0.674 175.426 176.117 -0.030 0.000 1.010 643 I CA -0.332 60.934 61.300 -0.056 0.000 1.098 643 I CB 1.842 39.782 38.000 -0.101 0.000 1.266 643 I HN 0.551 nan 8.210 nan 0.000 0.434 644 F N 7.471 127.354 119.950 -0.111 0.000 2.391 644 F HA 0.467 4.986 4.527 -0.013 0.000 0.359 644 F C -0.630 175.103 175.800 -0.110 0.000 1.122 644 F CA -0.757 57.179 58.000 -0.106 0.000 1.120 644 F CB 0.612 39.553 39.000 -0.098 0.000 1.142 644 F HN 0.141 nan 8.300 nan 0.000 0.483 645 L N 5.995 126.778 121.223 -0.734 0.000 2.407 645 L HA 0.130 4.462 4.340 -0.013 0.000 0.282 645 L C 0.355 176.905 176.870 -0.533 0.000 1.110 645 L CA 0.201 54.743 54.840 -0.498 0.000 0.863 645 L CB -0.053 41.821 42.059 -0.309 0.000 1.207 645 L HN 0.623 nan 8.230 nan 0.000 0.454 646 E N 3.270 123.298 120.200 -0.287 0.000 2.392 646 E HA -0.043 4.299 4.350 -0.013 0.000 0.264 646 E C 0.545 177.189 176.600 0.074 0.000 1.024 646 E CA -0.148 56.238 56.400 -0.024 0.000 0.903 646 E CB 0.272 29.964 29.700 -0.012 0.000 0.963 646 E HN 0.528 nan 8.360 nan 0.000 0.432 647 N N 2.618 121.423 118.700 0.175 0.000 2.714 647 N HA -0.287 4.445 4.740 -0.013 0.000 0.253 647 N C -1.530 174.076 175.510 0.160 0.000 1.024 647 N CA 0.528 53.687 53.050 0.181 0.000 0.726 647 N CB -1.421 37.190 38.487 0.207 0.000 0.908 647 N HN 0.459 nan 8.380 nan 0.000 0.542 648 Y N 1.456 121.760 120.300 0.006 0.000 2.717 648 Y HA 0.154 4.696 4.550 -0.013 0.000 0.330 648 Y C 1.131 177.050 175.900 0.031 0.000 1.217 648 Y CA 0.565 58.658 58.100 -0.011 0.000 1.506 648 Y CB 0.325 38.748 38.460 -0.060 0.000 1.268 648 Y HN 0.385 nan 8.280 nan 0.000 0.561 649 R N 2.436 122.627 120.500 -0.514 0.000 2.747 649 R HA 0.455 4.787 4.340 -0.013 0.000 0.272 649 R C -0.300 175.675 176.300 -0.542 0.000 1.032 649 R CA -0.611 55.251 56.100 -0.397 0.000 0.896 649 R CB 0.355 30.610 30.300 -0.076 0.000 1.253 649 R HN 0.355 nan 8.270 nan 0.000 0.461 650 V N 1.052 120.672 119.914 -0.490 0.000 2.278 650 V HA -0.314 3.798 4.120 -0.013 0.000 0.251 650 V C 2.570 178.534 176.094 -0.218 0.000 1.062 650 V CA 2.904 64.974 62.300 -0.384 0.000 1.038 650 V CB -0.850 30.715 31.823 -0.429 0.000 0.646 650 V HN 0.944 nan 8.190 nan 0.000 0.447 651 S N -0.110 115.489 115.700 -0.169 0.000 2.419 651 S HA -0.157 4.305 4.470 -0.013 0.000 0.233 651 S C 1.894 176.442 174.600 -0.085 0.000 1.016 651 S CA 1.614 59.743 58.200 -0.117 0.000 0.974 651 S CB -0.444 62.717 63.200 -0.064 0.000 0.786 651 S HN 0.400 nan 8.310 nan 0.000 0.492 652 L N 1.880 123.056 121.223 -0.078 0.000 2.131 652 L HA 0.389 4.721 4.340 -0.013 0.000 0.206 652 L C 2.638 179.509 176.870 0.002 0.000 1.087 652 L CA 1.346 56.183 54.840 -0.004 0.000 0.767 652 L CB -1.359 40.752 42.059 0.086 0.000 0.917 652 L HN 0.333 nan 8.230 nan 0.000 0.441 653 A N -0.635 122.153 122.820 -0.053 0.000 1.940 653 A HA -0.231 4.081 4.320 -0.013 0.000 0.219 653 A C 2.119 179.748 177.584 0.076 0.000 1.176 653 A CA 1.790 53.871 52.037 0.073 0.000 0.631 653 A CB -0.619 18.402 19.000 0.035 0.000 0.814 653 A HN 0.595 nan 8.150 nan 0.000 0.446 654 E N -0.500 119.729 120.200 0.050 0.000 2.333 654 E HA -0.156 4.186 4.350 -0.013 0.000 0.198 654 E C 1.822 178.388 176.600 -0.056 0.000 1.007 654 E CA 1.102 57.497 56.400 -0.009 0.000 0.845 654 E CB -0.029 29.575 29.700 -0.159 0.000 0.766 654 E HN 0.628 nan 8.360 nan 0.000 0.507 655 K N -0.146 120.205 120.400 -0.082 0.000 2.190 655 K HA -0.010 4.302 4.320 -0.013 0.000 0.202 655 K C 2.190 178.618 176.600 -0.288 0.000 1.045 655 K CA 0.833 57.059 56.287 -0.102 0.000 0.976 655 K CB 0.306 32.750 32.500 -0.095 0.000 0.849 655 K HN -0.022 nan 8.250 nan 0.000 0.468 656 V N 1.347 120.995 119.914 -0.444 0.000 2.323 656 V HA -0.194 3.918 4.120 -0.013 0.000 0.244 656 V C 2.249 178.083 176.094 -0.434 0.000 1.041 656 V CA 1.349 63.161 62.300 -0.815 0.000 1.025 656 V CB -0.770 30.732 31.823 -0.534 0.000 0.656 656 V HN 0.197 nan 8.190 nan 0.000 0.451 657 I N 0.931 121.302 120.570 -0.332 0.000 2.118 657 I HA -0.185 3.977 4.170 -0.013 0.000 0.241 657 I C -0.071 175.926 176.117 -0.201 0.000 1.070 657 I CA 2.027 63.068 61.300 -0.431 0.000 1.327 657 I CB -1.701 35.935 38.000 -0.607 0.000 1.034 657 I HN 0.365 nan 8.210 nan 0.000 0.405 658 P HA -0.100 nan 4.420 nan 0.000 0.225 658 P C 0.775 178.067 177.300 -0.014 0.000 1.148 658 P CA 1.199 64.271 63.100 -0.046 0.000 0.779 658 P CB 0.026 31.709 31.700 -0.028 0.000 0.780 659 A N -1.428 121.366 122.820 -0.043 0.000 2.348 659 A HA 0.545 4.857 4.320 -0.013 0.000 0.224 659 A C 1.087 178.771 177.584 0.167 0.000 1.227 659 A CA 0.005 52.070 52.037 0.047 0.000 0.885 659 A CB -0.445 18.591 19.000 0.060 0.000 0.933 659 A HN 0.190 nan 8.150 nan 0.000 0.506 660 A N -0.313 122.601 122.820 0.155 0.000 2.316 660 A HA 0.527 4.839 4.320 -0.013 0.000 0.284 660 A C 0.300 178.025 177.584 0.235 0.000 1.115 660 A CA -0.229 51.964 52.037 0.260 0.000 0.812 660 A CB 0.461 19.698 19.000 0.395 0.000 1.064 660 A HN 0.223 nan 8.150 nan 0.000 0.489 661 D N 0.157 120.692 120.400 0.226 0.000 2.431 661 D HA 0.133 4.765 4.640 -0.013 0.000 0.235 661 D C -0.036 176.444 176.300 0.300 0.000 0.980 661 D CA 0.698 54.875 54.000 0.295 0.000 0.912 661 D CB 0.289 41.183 40.800 0.156 0.000 1.056 661 D HN 0.342 nan 8.370 nan 0.000 0.494 662 L N 1.381 122.672 121.223 0.112 0.000 2.349 662 L HA 0.287 4.619 4.340 -0.013 0.000 0.278 662 L C -0.682 176.045 176.870 -0.238 0.000 0.996 662 L CA -0.279 54.541 54.840 -0.033 0.000 0.825 662 L CB 1.929 43.947 42.059 -0.069 0.000 1.243 662 L HN -0.154 nan 8.230 nan 0.000 0.412 663 S N 4.677 120.137 115.700 -0.401 0.000 2.422 663 S HA 0.312 4.774 4.470 -0.013 0.000 0.308 663 S C -0.313 173.981 174.600 -0.511 0.000 1.097 663 S CA -0.685 57.010 58.200 -0.841 0.000 1.099 663 S CB 0.633 63.217 63.200 -1.027 0.000 0.976 663 S HN 0.564 nan 8.310 nan 0.000 0.471 664 E N 4.211 124.140 120.200 -0.451 0.000 2.089 664 E HA 0.189 4.531 4.350 -0.013 0.000 0.284 664 E C -0.485 175.999 176.600 -0.194 0.000 1.023 664 E CA -0.382 55.883 56.400 -0.225 0.000 0.819 664 E CB 0.903 30.509 29.700 -0.157 0.000 1.076 664 E HN 0.628 nan 8.360 nan 0.000 0.396 665 Q N 2.885 122.622 119.800 -0.105 0.000 2.965 665 Q HA 0.253 4.585 4.340 -0.013 0.000 0.288 665 Q C 0.593 176.568 176.000 -0.042 0.000 0.974 665 Q CA -0.133 55.621 55.803 -0.082 0.000 0.849 665 Q CB 0.243 28.946 28.738 -0.059 0.000 1.280 665 Q HN 0.616 nan 8.270 nan 0.000 0.441 666 I N -1.435 119.099 120.570 -0.060 0.000 3.626 666 I HA 0.271 4.433 4.170 -0.013 0.000 0.345 666 I C 0.301 176.350 176.117 -0.113 0.000 1.502 666 I CA -0.596 60.670 61.300 -0.057 0.000 1.135 666 I CB 0.158 38.133 38.000 -0.041 0.000 1.456 666 I HN -0.027 nan 8.210 nan 0.000 0.460 667 S N 0.382 116.016 115.700 -0.109 0.000 2.593 667 S HA 0.239 4.701 4.470 -0.013 0.000 0.269 667 S C 0.539 175.110 174.600 -0.049 0.000 1.334 667 S CA -0.346 57.807 58.200 -0.080 0.000 1.015 667 S CB 0.628 63.824 63.200 -0.008 0.000 0.912 667 S HN 0.405 nan 8.310 nan 0.000 0.541 668 T N 2.497 117.060 114.554 0.016 0.000 2.888 668 T HA 0.412 4.754 4.350 -0.013 0.000 0.301 668 T C 0.713 175.423 174.700 0.016 0.000 1.001 668 T CA 0.186 62.306 62.100 0.033 0.000 1.147 668 T CB 0.061 69.022 68.868 0.156 0.000 0.931 668 T HN 0.980 nan 8.240 nan 0.000 0.541 669 A N 2.786 125.584 122.820 -0.037 0.000 2.580 669 A HA 0.433 4.746 4.320 -0.013 0.000 0.244 669 A C 1.657 179.235 177.584 -0.009 0.000 1.045 669 A CA 0.363 52.375 52.037 -0.041 0.000 0.761 669 A CB -0.900 18.063 19.000 -0.061 0.000 0.962 669 A HN 1.687 nan 8.150 nan 0.000 0.512 670 G N 1.382 110.177 108.800 -0.009 0.000 2.175 670 G HA2 -0.255 3.698 3.960 -0.013 0.000 0.244 670 G HA3 -0.255 3.698 3.960 -0.013 0.000 0.244 670 G C 0.928 175.826 174.900 -0.003 0.000 0.982 670 G CA 1.190 46.288 45.100 -0.002 0.000 0.641 670 G HN 2.057 nan 8.290 nan 0.000 0.527 671 T N -2.451 112.107 114.554 0.006 0.000 3.034 671 T HA 0.398 4.740 4.350 -0.013 0.000 0.248 671 T C 0.772 175.378 174.700 -0.158 0.000 1.040 671 T CA 1.111 63.169 62.100 -0.070 0.000 1.107 671 T CB 0.524 69.404 68.868 0.019 0.000 0.932 671 T HN 0.294 nan 8.240 nan 0.000 0.474 672 E N 1.447 121.665 120.200 0.029 0.000 2.044 672 E HA 0.663 5.005 4.350 -0.013 0.000 0.282 672 E C 1.198 177.760 176.600 -0.063 0.000 1.031 672 E CA 0.082 56.529 56.400 0.080 0.000 0.824 672 E CB 0.767 30.545 29.700 0.130 0.000 1.076 672 E HN 0.337 nan 8.360 nan 0.000 0.395 673 A N 3.463 126.164 122.820 -0.197 0.000 1.903 673 A HA -0.255 4.057 4.320 -0.013 0.000 0.219 673 A C 1.974 179.439 177.584 -0.198 0.000 1.191 673 A CA 2.438 54.216 52.037 -0.432 0.000 0.638 673 A CB -0.314 18.215 19.000 -0.786 0.000 0.823 673 A HN 0.625 nan 8.150 nan 0.000 0.451 674 S N -4.237 111.403 115.700 -0.100 0.000 4.193 674 S HA 0.450 4.913 4.470 -0.013 0.000 0.211 674 S C 0.674 175.259 174.600 -0.025 0.000 1.162 674 S CA 1.360 59.542 58.200 -0.029 0.000 1.039 674 S CB -0.148 63.058 63.200 0.009 0.000 1.371 674 S HN 2.352 nan 8.310 nan 0.000 0.550 675 G N 0.254 109.043 108.800 -0.017 0.000 2.705 675 G HA2 0.004 3.956 3.960 -0.013 0.000 0.686 675 G HA3 0.004 3.956 3.960 -0.013 0.000 0.686 675 G C 0.224 175.098 174.900 -0.043 0.000 1.285 675 G CA 0.434 45.518 45.100 -0.025 0.000 0.800 675 G HN 1.410 nan 8.290 nan 0.000 0.611 676 T N -2.234 112.281 114.554 -0.065 0.000 3.029 676 T HA 0.377 4.719 4.350 -0.013 0.000 0.256 676 T C 2.323 176.918 174.700 -0.174 0.000 0.914 676 T CA 1.245 63.278 62.100 -0.112 0.000 0.880 676 T CB 0.317 69.114 68.868 -0.119 0.000 1.246 676 T HN 1.904 nan 8.240 nan 0.000 0.523 677 G N 3.095 111.822 108.800 -0.122 0.000 2.422 677 G HA2 -0.237 3.715 3.960 -0.013 0.000 0.218 677 G HA3 -0.237 3.715 3.960 -0.013 0.000 0.218 677 G C 1.453 176.402 174.900 0.082 0.000 1.146 677 G CA 1.129 46.173 45.100 -0.092 0.000 0.769 677 G HN 0.823 nan 8.290 nan 0.000 0.547 678 N N 0.275 119.006 118.700 0.050 0.000 2.104 678 N HA -0.153 4.579 4.740 -0.013 0.000 0.190 678 N C 2.210 177.727 175.510 0.011 0.000 1.024 678 N CA 1.370 54.454 53.050 0.056 0.000 0.853 678 N CB -0.381 38.086 38.487 -0.034 0.000 1.008 678 N HN 0.342 nan 8.380 nan 0.000 0.424 679 M N 0.748 120.283 119.600 -0.109 0.000 2.229 679 M HA -0.021 4.451 4.480 -0.013 0.000 0.264 679 M C 1.937 178.188 176.300 -0.081 0.000 1.063 679 M CA 1.404 56.623 55.300 -0.136 0.000 1.114 679 M CB -0.101 32.415 32.600 -0.141 0.000 1.387 679 M HN 0.106 nan 8.290 nan 0.000 0.420 680 K N 0.030 120.315 120.400 -0.192 0.000 2.097 680 K HA -0.083 4.229 4.320 -0.013 0.000 0.205 680 K C 1.672 178.160 176.600 -0.186 0.000 1.050 680 K CA 1.292 57.398 56.287 -0.301 0.000 0.938 680 K CB -0.197 31.896 32.500 -0.679 0.000 0.718 680 K HN 0.164 nan 8.250 nan 0.000 0.442 681 F N 1.010 120.888 119.950 -0.121 0.000 2.163 681 F HA -0.075 4.443 4.527 -0.014 0.000 0.297 681 F C 2.520 178.291 175.800 -0.049 0.000 1.094 681 F CA 1.072 59.025 58.000 -0.078 0.000 1.290 681 F CB -0.253 38.690 39.000 -0.095 0.000 1.017 681 F HN -0.029 nan 8.300 nan 0.000 0.483 682 M N -0.380 119.307 119.600 0.145 0.000 2.117 682 M HA -0.206 4.266 4.480 -0.013 0.000 0.262 682 M C 2.095 178.451 176.300 0.092 0.000 1.065 682 M CA 1.605 56.962 55.300 0.095 0.000 1.114 682 M CB -0.256 32.399 32.600 0.091 0.000 1.361 682 M HN 0.258 nan 8.290 nan 0.000 0.408 683 L N 0.733 122.007 121.223 0.086 0.000 2.275 683 L HA -0.074 4.258 4.340 -0.013 0.000 0.215 683 L C 1.166 178.078 176.870 0.071 0.000 1.119 683 L CA 1.549 56.443 54.840 0.090 0.000 0.790 683 L CB -0.555 41.566 42.059 0.103 0.000 0.919 683 L HN 0.347 nan 8.230 nan 0.000 0.443 684 N N -0.178 118.557 118.700 0.058 0.000 2.273 684 N HA 0.181 4.913 4.740 -0.013 0.000 0.231 684 N C 0.797 176.341 175.510 0.058 0.000 1.134 684 N CA 0.743 53.821 53.050 0.046 0.000 0.856 684 N CB 0.534 39.029 38.487 0.013 0.000 1.068 684 N HN 0.382 nan 8.380 nan 0.000 0.510 685 G N 0.648 109.486 108.800 0.063 0.000 2.149 685 G HA2 -0.214 3.738 3.960 -0.013 0.000 0.235 685 G HA3 -0.214 3.738 3.960 -0.013 0.000 0.235 685 G C -0.014 174.947 174.900 0.102 0.000 1.018 685 G CA 0.222 45.361 45.100 0.064 0.000 0.728 685 G HN 0.525 nan 8.290 nan 0.000 0.508 686 A N -0.606 122.280 122.820 0.111 0.000 2.337 686 A HA 0.892 5.204 4.320 -0.013 0.000 0.331 686 A C -0.227 177.347 177.584 -0.016 0.000 1.137 686 A CA -0.700 51.414 52.037 0.128 0.000 0.807 686 A CB 1.400 20.538 19.000 0.231 0.000 1.250 686 A HN 0.733 nan 8.150 nan 0.000 0.468 687 L N 0.871 122.040 121.223 -0.091 0.000 2.357 687 L HA 0.542 4.874 4.340 -0.013 0.000 0.273 687 L C 0.550 177.268 176.870 -0.253 0.000 1.080 687 L CA 0.443 55.131 54.840 -0.253 0.000 0.803 687 L CB 1.538 43.347 42.059 -0.417 0.000 1.174 687 L HN 0.742 nan 8.230 nan 0.000 0.443 688 T N 4.283 118.570 114.554 -0.446 0.000 2.794 688 T HA 0.531 4.873 4.350 -0.013 0.000 0.280 688 T C -0.257 174.285 174.700 -0.263 0.000 0.987 688 T CA -0.170 61.648 62.100 -0.471 0.000 0.993 688 T CB 0.928 69.343 68.868 -0.754 0.000 0.939 688 T HN 0.452 nan 8.240 nan 0.000 0.449 689 I N 2.881 123.395 120.570 -0.093 0.000 2.382 689 I HA 0.721 4.883 4.170 -0.013 0.000 0.286 689 I C 0.018 176.278 176.117 0.239 0.000 1.002 689 I CA 0.014 61.386 61.300 0.120 0.000 1.135 689 I CB 0.282 38.282 38.000 -0.001 0.000 1.288 689 I HN 0.783 nan 8.210 nan 0.000 0.448 690 G N 4.018 113.026 108.800 0.347 0.000 2.600 690 G HA2 0.488 4.440 3.960 -0.013 0.000 0.293 690 G HA3 0.488 4.440 3.960 -0.013 0.000 0.293 690 G C -0.928 173.883 174.900 -0.149 0.000 1.408 690 G CA -0.328 44.886 45.100 0.189 0.000 0.782 690 G HN 0.560 nan 8.290 nan 0.000 0.482 691 T N -1.700 112.646 114.554 -0.346 0.000 2.881 691 T HA 0.537 4.879 4.350 -0.013 0.000 0.278 691 T C 0.628 175.208 174.700 -0.199 0.000 0.982 691 T CA -0.717 61.109 62.100 -0.457 0.000 0.989 691 T CB 1.222 69.823 68.868 -0.446 0.000 1.058 691 T HN 0.245 nan 8.240 nan 0.000 0.529 692 M N 2.807 122.301 119.600 -0.176 0.000 3.436 692 M HA 0.339 4.812 4.480 -0.013 0.000 0.240 692 M C -0.506 175.739 176.300 -0.092 0.000 1.469 692 M CA -0.065 55.167 55.300 -0.113 0.000 1.622 692 M CB -1.747 30.795 32.600 -0.096 0.000 1.098 692 M HN 0.723 nan 8.290 nan 0.000 0.568 693 D N -0.123 120.228 120.400 -0.081 0.000 2.601 693 D HA 0.681 5.313 4.640 -0.013 0.000 0.230 693 D C 0.766 177.042 176.300 -0.040 0.000 1.106 693 D CA 0.702 54.670 54.000 -0.054 0.000 0.873 693 D CB 1.774 42.544 40.800 -0.050 0.000 1.515 693 D HN 0.586 nan 8.370 nan 0.000 0.468 694 G N 1.607 110.394 108.800 -0.020 0.000 2.652 694 G HA2 -0.286 3.666 3.960 -0.013 0.000 0.318 694 G HA3 -0.286 3.666 3.960 -0.013 0.000 0.318 694 G C 1.080 175.969 174.900 -0.017 0.000 1.295 694 G CA 1.358 46.451 45.100 -0.013 0.000 0.999 694 G HN 1.032 nan 8.290 nan 0.000 0.548 695 A N -0.452 122.349 122.820 -0.032 0.000 2.119 695 A HA 0.076 4.388 4.320 -0.013 0.000 0.217 695 A C 2.135 179.646 177.584 -0.122 0.000 1.153 695 A CA 1.895 53.901 52.037 -0.052 0.000 0.692 695 A CB -0.461 18.482 19.000 -0.095 0.000 0.799 695 A HN 0.637 nan 8.150 nan 0.000 0.458 696 N N 0.569 119.207 118.700 -0.103 0.000 2.091 696 N HA -0.166 4.566 4.740 -0.013 0.000 0.193 696 N C 1.585 176.961 175.510 -0.223 0.000 1.021 696 N CA 1.639 54.622 53.050 -0.110 0.000 0.862 696 N CB -0.658 37.812 38.487 -0.029 0.000 1.018 696 N HN 0.286 nan 8.380 nan 0.000 0.429 697 V N 1.182 121.010 119.914 -0.144 0.000 2.287 697 V HA -0.220 3.892 4.120 -0.013 0.000 0.248 697 V C 1.951 177.967 176.094 -0.131 0.000 1.053 697 V CA 1.738 63.954 62.300 -0.141 0.000 1.027 697 V CB -0.492 31.286 31.823 -0.076 0.000 0.646 697 V HN 0.364 nan 8.190 nan 0.000 0.447 698 E N -0.735 119.443 120.200 -0.037 0.000 2.208 698 E HA -0.133 4.209 4.350 -0.013 0.000 0.193 698 E C 2.175 178.877 176.600 0.171 0.000 0.988 698 E CA 0.988 57.441 56.400 0.088 0.000 0.828 698 E CB -0.160 29.677 29.700 0.229 0.000 0.763 698 E HN 0.551 nan 8.360 nan 0.000 0.478 699 M N 0.297 119.877 119.600 -0.033 0.000 2.099 699 M HA -0.103 4.369 4.480 -0.013 0.000 0.262 699 M C 2.459 178.537 176.300 -0.369 0.000 1.067 699 M CA 1.463 56.698 55.300 -0.108 0.000 1.124 699 M CB -0.107 32.315 32.600 -0.296 0.000 1.353 699 M HN 0.133 nan 8.290 nan 0.000 0.410 700 A N -0.013 122.275 122.820 -0.886 0.000 1.933 700 A HA -0.218 4.094 4.320 -0.013 0.000 0.218 700 A C 1.970 179.349 177.584 -0.340 0.000 1.175 700 A CA 1.953 53.410 52.037 -0.966 0.000 0.628 700 A CB -0.822 17.622 19.000 -0.926 0.000 0.814 700 A HN 0.604 nan 8.150 nan 0.000 0.444 701 E N -0.411 119.660 120.200 -0.216 0.000 2.150 701 E HA -0.202 4.140 4.350 -0.013 0.000 0.193 701 E C 1.636 178.205 176.600 -0.051 0.000 0.985 701 E CA 1.225 57.564 56.400 -0.101 0.000 0.814 701 E CB -0.045 29.615 29.700 -0.066 0.000 0.752 701 E HN 0.566 nan 8.360 nan 0.000 0.466 702 E N -0.061 120.134 120.200 -0.009 0.000 2.122 702 E HA -0.047 4.295 4.350 -0.013 0.000 0.190 702 E C 1.754 178.375 176.600 0.035 0.000 0.977 702 E CA 1.014 57.431 56.400 0.028 0.000 0.820 702 E CB 0.085 29.847 29.700 0.103 0.000 0.770 702 E HN 0.362 nan 8.360 nan 0.000 0.462 703 A N 0.407 123.256 122.820 0.049 0.000 2.147 703 A HA 0.393 4.705 4.320 -0.013 0.000 0.211 703 A C 0.982 178.588 177.584 0.037 0.000 1.160 703 A CA 0.937 53.020 52.037 0.076 0.000 0.781 703 A CB 0.207 19.312 19.000 0.174 0.000 0.842 703 A HN 0.212 nan 8.150 nan 0.000 0.475 704 G N -0.395 108.401 108.800 -0.007 0.000 3.209 704 G HA2 -0.092 3.860 3.960 -0.013 0.000 0.686 704 G HA3 -0.092 3.860 3.960 -0.013 0.000 0.686 704 G C -0.045 174.843 174.900 -0.019 0.000 1.065 704 G CA 0.002 45.089 45.100 -0.021 0.000 0.812 704 G HN 0.234 nan 8.290 nan 0.000 0.573 705 E N 0.775 120.948 120.200 -0.045 0.000 2.273 705 E HA -0.177 4.165 4.350 -0.013 0.000 0.198 705 E C 2.054 178.643 176.600 -0.019 0.000 1.002 705 E CA 1.833 58.215 56.400 -0.030 0.000 0.828 705 E CB 0.077 29.753 29.700 -0.040 0.000 0.747 705 E HN 0.776 nan 8.360 nan 0.000 0.491 706 E N 0.371 120.546 120.200 -0.041 0.000 2.274 706 E HA -0.077 4.265 4.350 -0.013 0.000 0.194 706 E C 0.941 177.456 176.600 -0.142 0.000 0.996 706 E CA 0.623 56.974 56.400 -0.082 0.000 0.840 706 E CB 0.061 29.726 29.700 -0.060 0.000 0.772 706 E HN 0.158 nan 8.360 nan 0.000 0.491 707 N N -0.341 118.311 118.700 -0.080 0.000 2.235 707 N HA 0.134 4.866 4.740 -0.013 0.000 0.209 707 N C -0.916 174.537 175.510 -0.095 0.000 1.122 707 N CA 0.116 53.098 53.050 -0.113 0.000 0.845 707 N CB 0.393 38.868 38.487 -0.020 0.000 1.004 707 N HN 0.044 nan 8.380 nan 0.000 0.499 708 F N -0.459 119.300 119.950 -0.317 0.000 2.588 708 F HA 0.414 4.932 4.527 -0.014 0.000 0.314 708 F C -0.709 174.886 175.800 -0.342 0.000 1.069 708 F CA -1.111 56.743 58.000 -0.243 0.000 0.931 708 F CB 1.356 40.293 39.000 -0.106 0.000 1.260 708 F HN -0.223 nan 8.300 nan 0.000 0.465 709 F N 5.252 125.206 119.950 0.006 0.000 2.318 709 F HA 0.372 4.891 4.527 -0.013 0.000 0.356 709 F C -0.211 175.722 175.800 0.221 0.000 1.109 709 F CA -0.529 57.512 58.000 0.068 0.000 1.234 709 F CB -0.092 38.889 39.000 -0.031 0.000 1.545 709 F HN 0.000 nan 8.300 nan 0.000 0.534 710 I N 3.259 124.038 120.570 0.348 0.000 2.532 710 I HA 0.414 4.576 4.170 -0.013 0.000 0.292 710 I C -0.020 176.297 176.117 0.334 0.000 1.014 710 I CA -0.599 60.872 61.300 0.285 0.000 1.340 710 I CB 0.946 39.033 38.000 0.146 0.000 1.422 710 I HN 0.386 nan 8.210 nan 0.000 0.528 711 F N 1.434 121.449 119.950 0.108 0.000 2.877 711 F HA 0.756 5.274 4.527 -0.014 0.000 0.319 711 F C -0.075 175.765 175.800 0.067 0.000 1.174 711 F CA -0.324 57.731 58.000 0.090 0.000 0.903 711 F CB 0.811 39.880 39.000 0.114 0.000 1.357 711 F HN 0.831 nan 8.300 nan 0.000 0.472 712 G N 0.954 109.857 108.800 0.171 0.000 2.796 712 G HA2 -0.099 3.853 3.960 -0.013 0.000 0.226 712 G HA3 -0.099 3.853 3.960 -0.013 0.000 0.226 712 G C -0.734 174.146 174.900 -0.034 0.000 1.381 712 G CA -0.459 44.662 45.100 0.036 0.000 0.867 712 G HN 0.974 nan 8.290 nan 0.000 0.552 713 M N 0.599 120.187 119.600 -0.020 0.000 2.252 713 M HA 0.322 4.794 4.480 -0.013 0.000 0.333 713 M C 1.089 177.356 176.300 -0.056 0.000 1.111 713 M CA 0.048 55.339 55.300 -0.015 0.000 1.140 713 M CB 0.318 32.917 32.600 -0.002 0.000 1.538 713 M HN 0.530 nan 8.290 nan 0.000 0.448 714 R N 1.218 121.698 120.500 -0.034 0.000 2.608 714 R HA 0.345 4.677 4.340 -0.013 0.000 0.255 714 R C 1.177 177.458 176.300 -0.032 0.000 1.086 714 R CA -0.767 55.307 56.100 -0.043 0.000 1.125 714 R CB 0.048 30.330 30.300 -0.030 0.000 1.193 714 R HN 0.573 nan 8.270 nan 0.000 0.553 715 V N 1.566 121.460 119.914 -0.033 0.000 2.317 715 V HA -0.294 3.818 4.120 -0.013 0.000 0.251 715 V C 1.795 177.878 176.094 -0.018 0.000 1.065 715 V CA 2.119 64.403 62.300 -0.026 0.000 1.049 715 V CB -0.404 31.402 31.823 -0.028 0.000 0.651 715 V HN 0.638 nan 8.190 nan 0.000 0.450 716 E N -0.133 120.059 120.200 -0.015 0.000 2.106 716 E HA -0.175 4.167 4.350 -0.013 0.000 0.192 716 E C 1.976 178.579 176.600 0.005 0.000 0.984 716 E CA 1.320 57.716 56.400 -0.006 0.000 0.806 716 E CB -0.332 29.365 29.700 -0.005 0.000 0.750 716 E HN 0.622 nan 8.360 nan 0.000 0.458 717 D N -0.082 120.322 120.400 0.008 0.000 2.144 717 D HA -0.102 4.530 4.640 -0.013 0.000 0.200 717 D C 1.962 178.277 176.300 0.024 0.000 0.978 717 D CA 0.816 54.831 54.000 0.024 0.000 0.833 717 D CB -0.044 40.774 40.800 0.030 0.000 0.961 717 D HN 0.063 nan 8.370 nan 0.000 0.470 718 V N 1.756 121.672 119.914 0.003 0.000 2.343 718 V HA -0.212 3.901 4.120 -0.013 0.000 0.247 718 V C 1.982 178.076 176.094 -0.000 0.000 1.051 718 V CA 1.647 63.941 62.300 -0.009 0.000 1.036 718 V CB -0.393 31.415 31.823 -0.025 0.000 0.654 718 V HN 0.019 nan 8.190 nan 0.000 0.451 719 D N -0.104 120.297 120.400 0.001 0.000 2.092 719 D HA -0.165 4.467 4.640 -0.013 0.000 0.193 719 D C 2.390 178.702 176.300 0.020 0.000 0.994 719 D CA 1.334 55.337 54.000 0.004 0.000 0.828 719 D CB -0.284 40.515 40.800 -0.001 0.000 0.963 719 D HN 0.286 nan 8.370 nan 0.000 0.450 720 R N 0.106 120.622 120.500 0.026 0.000 2.096 720 R HA -0.084 4.248 4.340 -0.013 0.000 0.240 720 R C 2.493 178.828 176.300 0.059 0.000 1.139 720 R CA 0.714 56.838 56.100 0.039 0.000 0.952 720 R CB -0.458 29.867 30.300 0.042 0.000 0.854 720 R HN 0.200 nan 8.270 nan 0.000 0.436 721 L N 0.526 121.793 121.223 0.073 0.000 2.083 721 L HA -0.235 4.097 4.340 -0.013 0.000 0.209 721 L C 1.455 178.390 176.870 0.108 0.000 1.083 721 L CA 1.457 56.366 54.840 0.116 0.000 0.752 721 L CB -0.320 41.818 42.059 0.133 0.000 0.899 721 L HN 0.290 nan 8.230 nan 0.000 0.433 722 D N -0.814 119.624 120.400 0.064 0.000 2.144 722 D HA -0.170 4.462 4.640 -0.013 0.000 0.200 722 D C 2.301 178.632 176.300 0.051 0.000 0.978 722 D CA 0.862 54.893 54.000 0.052 0.000 0.833 722 D CB -0.004 40.807 40.800 0.018 0.000 0.961 722 D HN 0.390 nan 8.370 nan 0.000 0.470 723 Q N 0.421 120.246 119.800 0.043 0.000 2.084 723 Q HA -0.102 4.230 4.340 -0.013 0.000 0.202 723 Q C 2.263 178.290 176.000 0.045 0.000 0.978 723 Q CA 0.800 56.624 55.803 0.036 0.000 0.844 723 Q CB -0.265 28.491 28.738 0.030 0.000 0.898 723 Q HN 0.321 nan 8.270 nan 0.000 0.426 724 R N 0.140 120.674 120.500 0.058 0.000 2.062 724 R HA -0.006 4.326 4.340 -0.013 0.000 0.231 724 R C 0.258 176.600 176.300 0.070 0.000 1.136 724 R CA 1.197 57.335 56.100 0.062 0.000 0.948 724 R CB 0.019 30.365 30.300 0.077 0.000 0.845 724 R HN 0.380 nan 8.270 nan 0.000 0.430 725 G N -0.246 108.613 108.800 0.097 0.000 3.326 725 G HA2 -0.202 3.750 3.960 -0.013 0.000 0.681 725 G HA3 -0.202 3.750 3.960 -0.013 0.000 0.681 725 G C -1.469 173.530 174.900 0.165 0.000 1.255 725 G CA -0.637 44.528 45.100 0.108 0.000 0.976 725 G HN 0.273 nan 8.290 nan 0.000 0.563 726 Y N 3.746 124.082 120.300 0.060 0.000 2.393 726 Y HA 0.565 5.107 4.550 -0.013 0.000 0.338 726 Y C 0.370 176.330 175.900 0.100 0.000 1.029 726 Y CA -0.806 57.349 58.100 0.091 0.000 1.239 726 Y CB 0.947 39.437 38.460 0.051 0.000 1.170 726 Y HN 0.550 nan 8.280 nan 0.000 0.515 727 N N 5.264 123.750 118.700 -0.357 0.000 2.626 727 N HA 0.283 5.015 4.740 -0.013 0.000 0.249 727 N C 0.186 175.468 175.510 -0.379 0.000 1.021 727 N CA 0.303 53.164 53.050 -0.315 0.000 0.886 727 N CB 1.450 39.878 38.487 -0.098 0.000 1.149 727 N HN 0.894 nan 8.380 nan 0.000 0.517 728 A N 2.954 125.443 122.820 -0.550 0.000 1.940 728 A HA -0.236 4.076 4.320 -0.013 0.000 0.219 728 A C 1.957 179.681 177.584 0.234 0.000 1.176 728 A CA 1.505 53.459 52.037 -0.138 0.000 0.631 728 A CB -0.386 18.467 19.000 -0.244 0.000 0.814 728 A HN 0.755 nan 8.150 nan 0.000 0.446 729 Q N 0.107 119.944 119.800 0.062 0.000 2.152 729 Q HA -0.246 4.086 4.340 -0.013 0.000 0.206 729 Q C 1.892 177.981 176.000 0.148 0.000 0.985 729 Q CA 2.328 58.191 55.803 0.100 0.000 0.863 729 Q CB -0.359 28.393 28.738 0.024 0.000 0.904 729 Q HN 0.777 nan 8.270 nan 0.000 0.422 730 E N -1.349 118.883 120.200 0.054 0.000 2.070 730 E HA -0.246 4.096 4.350 -0.013 0.000 0.197 730 E C 1.615 178.159 176.600 -0.093 0.000 1.004 730 E CA 1.614 57.970 56.400 -0.073 0.000 0.805 730 E CB -0.230 29.329 29.700 -0.235 0.000 0.744 730 E HN 0.593 nan 8.360 nan 0.000 0.451 731 Y N -1.254 119.102 120.300 0.093 0.000 2.293 731 Y HA -0.193 4.349 4.550 -0.013 0.000 0.291 731 Y C 2.137 178.010 175.900 -0.046 0.000 1.137 731 Y CA 1.405 59.540 58.100 0.059 0.000 1.202 731 Y CB -0.525 38.021 38.460 0.144 0.000 0.990 731 Y HN 0.259 nan 8.280 nan 0.000 0.537 732 Y N 1.046 121.357 120.300 0.018 0.000 2.242 732 Y HA -0.217 4.325 4.550 -0.013 0.000 0.291 732 Y C 1.749 177.605 175.900 -0.073 0.000 1.137 732 Y CA 1.635 59.669 58.100 -0.110 0.000 1.181 732 Y CB -0.232 38.218 38.460 -0.016 0.000 0.989 732 Y HN 0.049 nan 8.280 nan 0.000 0.527 733 D N -0.265 120.187 120.400 0.086 0.000 2.194 733 D HA -0.075 4.557 4.640 -0.013 0.000 0.204 733 D C 1.822 178.076 176.300 -0.076 0.000 0.964 733 D CA 0.996 54.996 54.000 0.001 0.000 0.846 733 D CB -0.027 40.811 40.800 0.063 0.000 0.962 733 D HN 0.476 nan 8.370 nan 0.000 0.490 734 R N -0.002 120.457 120.500 -0.069 0.000 2.290 734 R HA 0.238 4.570 4.340 -0.013 0.000 0.197 734 R C 0.453 176.719 176.300 -0.057 0.000 0.913 734 R CA 0.115 56.177 56.100 -0.063 0.000 1.040 734 R CB 0.891 31.154 30.300 -0.061 0.000 0.992 734 R HN 0.157 nan 8.270 nan 0.000 0.500 735 I N 2.436 122.953 120.570 -0.088 0.000 2.405 735 I HA 0.219 4.382 4.170 -0.013 0.000 0.280 735 I C -1.885 174.136 176.117 -0.160 0.000 1.027 735 I CA -2.390 58.868 61.300 -0.070 0.000 1.161 735 I CB 2.122 40.118 38.000 -0.006 0.000 1.300 735 I HN -0.281 nan 8.210 nan 0.000 0.463 736 P HA -0.172 nan 4.420 nan 0.000 0.215 736 P C 1.220 178.429 177.300 -0.150 0.000 1.153 736 P CA 1.363 64.371 63.100 -0.153 0.000 0.853 736 P CB 0.283 31.924 31.700 -0.097 0.000 0.788 737 E N -0.944 119.209 120.200 -0.079 0.000 2.110 737 E HA -0.181 4.161 4.350 -0.013 0.000 0.193 737 E C 1.875 178.398 176.600 -0.129 0.000 0.988 737 E CA 0.855 57.230 56.400 -0.042 0.000 0.804 737 E CB -0.624 29.124 29.700 0.080 0.000 0.745 737 E HN 0.131 nan 8.360 nan 0.000 0.458 738 L N 1.342 122.403 121.223 -0.269 0.000 2.072 738 L HA -0.125 4.208 4.340 -0.013 0.000 0.205 738 L C 2.414 179.026 176.870 -0.430 0.000 1.079 738 L CA 1.656 56.157 54.840 -0.566 0.000 0.752 738 L CB -0.399 41.173 42.059 -0.812 0.000 0.906 738 L HN -0.089 nan 8.230 nan 0.000 0.436 739 R N -0.779 119.444 120.500 -0.460 0.000 2.096 739 R HA -0.231 4.101 4.340 -0.013 0.000 0.235 739 R C 2.369 178.517 176.300 -0.253 0.000 1.127 739 R CA 1.885 57.633 56.100 -0.586 0.000 0.968 739 R CB -0.396 29.417 30.300 -0.811 0.000 0.861 739 R HN 0.639 nan 8.270 nan 0.000 0.440 740 Q N 0.480 120.161 119.800 -0.198 0.000 2.124 740 Q HA -0.163 4.169 4.340 -0.013 0.000 0.202 740 Q C 2.061 178.016 176.000 -0.075 0.000 0.977 740 Q CA 1.761 57.492 55.803 -0.119 0.000 0.850 740 Q CB -0.056 28.612 28.738 -0.117 0.000 0.901 740 Q HN 0.504 nan 8.270 nan 0.000 0.429 741 I N 0.199 120.723 120.570 -0.077 0.000 2.179 741 I HA -0.282 3.880 4.170 -0.013 0.000 0.242 741 I C 2.073 178.218 176.117 0.046 0.000 1.088 741 I CA 0.843 62.136 61.300 -0.012 0.000 1.357 741 I CB -0.182 37.787 38.000 -0.052 0.000 1.051 741 I HN 0.238 nan 8.210 nan 0.000 0.409 742 I N 0.727 121.325 120.570 0.046 0.000 2.361 742 I HA -0.251 3.911 4.170 -0.013 0.000 0.251 742 I C 2.386 178.602 176.117 0.166 0.000 1.133 742 I CA 1.524 62.913 61.300 0.149 0.000 1.413 742 I CB -0.373 37.793 38.000 0.277 0.000 1.073 742 I HN 0.203 nan 8.210 nan 0.000 0.424 743 E N -0.345 119.936 120.200 0.136 0.000 2.216 743 E HA -0.206 4.136 4.350 -0.013 0.000 0.192 743 E C 2.086 178.751 176.600 0.108 0.000 0.988 743 E CA 0.625 57.098 56.400 0.122 0.000 0.834 743 E CB -0.123 29.627 29.700 0.083 0.000 0.772 743 E HN 0.591 nan 8.360 nan 0.000 0.479 744 Q N 0.621 120.472 119.800 0.085 0.000 2.079 744 Q HA -0.080 4.252 4.340 -0.013 0.000 0.200 744 Q C 2.315 178.490 176.000 0.292 0.000 0.974 744 Q CA 0.873 56.735 55.803 0.099 0.000 0.840 744 Q CB 0.063 28.778 28.738 -0.038 0.000 0.898 744 Q HN 0.279 nan 8.270 nan 0.000 0.430 745 L N -0.205 121.197 121.223 0.298 0.000 2.046 745 L HA -0.181 4.151 4.340 -0.013 0.000 0.208 745 L C 2.356 179.403 176.870 0.295 0.000 1.077 745 L CA 1.011 56.047 54.840 0.326 0.000 0.747 745 L CB -0.324 41.850 42.059 0.191 0.000 0.896 745 L HN 0.159 nan 8.230 nan 0.000 0.432 746 S N -0.418 115.410 115.700 0.214 0.000 2.383 746 S HA -0.133 4.329 4.470 -0.013 0.000 0.227 746 S C 2.046 176.742 174.600 0.160 0.000 1.026 746 S CA 1.393 59.697 58.200 0.174 0.000 0.981 746 S CB -0.169 63.111 63.200 0.134 0.000 0.818 746 S HN 0.588 nan 8.310 nan 0.000 0.472 747 S N 0.552 116.350 115.700 0.164 0.000 2.562 747 S HA 0.314 4.776 4.470 -0.013 0.000 0.221 747 S C 1.427 176.117 174.600 0.150 0.000 0.975 747 S CA 0.708 58.992 58.200 0.140 0.000 0.918 747 S CB -0.130 63.148 63.200 0.128 0.000 0.772 747 S HN 0.800 nan 8.310 nan 0.000 0.531 748 G N 0.590 109.511 108.800 0.201 0.000 2.131 748 G HA2 -0.295 3.657 3.960 -0.013 0.000 0.223 748 G HA3 -0.295 3.657 3.960 -0.013 0.000 0.223 748 G C 0.208 175.202 174.900 0.158 0.000 0.990 748 G CA 0.146 45.354 45.100 0.180 0.000 0.671 748 G HN 0.556 nan 8.290 nan 0.000 0.521 749 F N 0.307 120.270 119.950 0.022 0.000 2.161 749 F HA 0.150 4.669 4.527 -0.013 0.000 0.300 749 F C 1.890 177.529 175.800 -0.269 0.000 1.089 749 F CA 2.074 59.973 58.000 -0.168 0.000 1.282 749 F CB -0.069 38.750 39.000 -0.303 0.000 1.010 749 F HN 0.165 nan 8.300 nan 0.000 0.485 750 F N -0.189 119.895 119.950 0.224 0.000 2.693 750 F HA 0.193 4.712 4.527 -0.013 0.000 0.303 750 F C 0.664 176.570 175.800 0.177 0.000 1.097 750 F CA 0.279 58.364 58.000 0.141 0.000 1.330 750 F CB -0.148 38.953 39.000 0.167 0.000 1.067 750 F HN -0.018 nan 8.300 nan 0.000 0.565 751 S N -2.026 113.822 115.700 0.248 0.000 2.605 751 S HA 0.306 4.768 4.470 -0.013 0.000 0.142 751 S C -2.425 172.200 174.600 0.042 0.000 1.452 751 S CA -1.042 57.238 58.200 0.133 0.000 1.240 751 S CB 0.816 64.062 63.200 0.076 0.000 1.538 751 S HN -0.182 nan 8.310 nan 0.000 0.394 752 P HA -0.152 nan 4.420 nan 0.000 0.214 752 P C 1.236 178.530 177.300 -0.012 0.000 1.169 752 P CA 1.545 64.626 63.100 -0.031 0.000 0.908 752 P CB 0.077 31.736 31.700 -0.070 0.000 0.791 753 K N -1.114 119.280 120.400 -0.010 0.000 2.148 753 K HA -0.093 4.219 4.320 -0.013 0.000 0.204 753 K C 0.708 177.308 176.600 -0.000 0.000 1.050 753 K CA 1.045 57.330 56.287 -0.004 0.000 0.942 753 K CB -0.185 32.315 32.500 -0.000 0.000 0.724 753 K HN 0.323 nan 8.250 nan 0.000 0.446 754 Q N -0.430 119.368 119.800 -0.003 0.000 2.907 754 Q HA 0.153 4.485 4.340 -0.013 0.000 0.262 754 Q C -2.310 173.683 176.000 -0.011 0.000 0.997 754 Q CA -1.618 54.178 55.803 -0.012 0.000 0.797 754 Q CB 1.565 30.288 28.738 -0.025 0.000 1.228 754 Q HN -0.087 nan 8.270 nan 0.000 0.466 755 P HA -0.244 nan 4.420 nan 0.000 0.217 755 P C 0.621 177.957 177.300 0.060 0.000 1.148 755 P CA 1.529 64.658 63.100 0.047 0.000 0.834 755 P CB 0.216 31.943 31.700 0.045 0.000 0.783 756 D N -1.394 119.025 120.400 0.031 0.000 2.368 756 D HA -0.004 4.628 4.640 -0.013 0.000 0.218 756 D C 1.594 177.893 176.300 -0.003 0.000 1.112 756 D CA -0.266 53.759 54.000 0.042 0.000 0.834 756 D CB -0.627 40.199 40.800 0.043 0.000 0.953 756 D HN 0.012 nan 8.370 nan 0.000 0.505 757 L N 0.114 121.270 121.223 -0.111 0.000 2.051 757 L HA -0.108 4.224 4.340 -0.013 0.000 0.214 757 L C 1.141 177.800 176.870 -0.351 0.000 1.076 757 L CA 1.749 56.405 54.840 -0.307 0.000 0.758 757 L CB -0.677 41.010 42.059 -0.621 0.000 0.890 757 L HN 0.002 nan 8.230 nan 0.000 0.433 758 F N -0.619 119.387 119.950 0.093 0.000 2.668 758 F HA 0.140 4.660 4.527 -0.013 0.000 0.297 758 F C 1.814 177.662 175.800 0.080 0.000 1.124 758 F CA -0.106 57.938 58.000 0.072 0.000 1.353 758 F CB -0.346 38.684 39.000 0.051 0.000 0.992 758 F HN 0.117 nan 8.300 nan 0.000 0.524 759 K N -0.537 119.979 120.400 0.195 0.000 2.147 759 K HA -0.171 4.141 4.320 -0.013 0.000 0.205 759 K C 0.942 177.640 176.600 0.162 0.000 1.049 759 K CA 1.847 58.230 56.287 0.159 0.000 0.936 759 K CB -0.209 32.361 32.500 0.118 0.000 0.722 759 K HN 0.061 nan 8.250 nan 0.000 0.446 760 D N 1.255 121.764 120.400 0.183 0.000 2.117 760 D HA -0.062 4.570 4.640 -0.013 0.000 0.198 760 D C 1.984 178.385 176.300 0.169 0.000 0.982 760 D CA 1.038 55.155 54.000 0.195 0.000 0.828 760 D CB -0.085 40.865 40.800 0.251 0.000 0.967 760 D HN 0.287 nan 8.370 nan 0.000 0.464 761 I N 0.286 120.954 120.570 0.162 0.000 2.202 761 I HA -0.205 3.958 4.170 -0.013 0.000 0.242 761 I C 2.392 178.546 176.117 0.062 0.000 1.091 761 I CA 0.556 61.917 61.300 0.101 0.000 1.368 761 I CB -0.139 37.913 38.000 0.085 0.000 1.058 761 I HN -0.120 nan 8.210 nan 0.000 0.410 762 V N 1.010 120.976 119.914 0.088 0.000 2.343 762 V HA -0.307 3.805 4.120 -0.013 0.000 0.247 762 V C 2.148 178.223 176.094 -0.033 0.000 1.051 762 V CA 2.380 64.710 62.300 0.049 0.000 1.036 762 V CB -0.947 30.929 31.823 0.089 0.000 0.654 762 V HN 0.463 nan 8.190 nan 0.000 0.451 763 N N -0.464 118.252 118.700 0.027 0.000 2.069 763 N HA -0.216 4.516 4.740 -0.013 0.000 0.191 763 N C 1.901 177.335 175.510 -0.127 0.000 1.031 763 N CA 1.741 54.807 53.050 0.027 0.000 0.852 763 N CB -0.196 38.400 38.487 0.182 0.000 1.018 763 N HN 0.316 nan 8.380 nan 0.000 0.423 764 M N -0.013 119.583 119.600 -0.007 0.000 2.067 764 M HA -0.125 4.347 4.480 -0.013 0.000 0.260 764 M C 1.476 177.663 176.300 -0.189 0.000 1.069 764 M CA 1.321 56.621 55.300 0.000 0.000 1.117 764 M CB -0.599 32.081 32.600 0.133 0.000 1.334 764 M HN 0.215 nan 8.290 nan 0.000 0.407 765 L N 0.777 121.875 121.223 -0.208 0.000 2.043 765 L HA -0.246 4.087 4.340 -0.013 0.000 0.212 765 L C 2.446 178.968 176.870 -0.580 0.000 1.075 765 L CA 1.738 56.332 54.840 -0.410 0.000 0.752 765 L CB -1.230 40.623 42.059 -0.344 0.000 0.891 765 L HN 0.391 nan 8.230 nan 0.000 0.432 766 M N -1.988 117.304 119.600 -0.515 0.000 2.334 766 M HA -0.053 4.419 4.480 -0.013 0.000 0.266 766 M C 1.836 177.680 176.300 -0.761 0.000 1.082 766 M CA 1.271 56.184 55.300 -0.645 0.000 1.141 766 M CB -0.726 31.379 32.600 -0.825 0.000 1.380 766 M HN 0.339 nan 8.290 nan 0.000 0.440 767 H N -1.765 117.057 119.070 -0.414 0.000 3.017 767 H HA 0.216 4.764 4.556 -0.013 0.000 0.255 767 H C 0.091 175.161 175.328 -0.430 0.000 0.990 767 H CA 0.576 56.345 56.048 -0.466 0.000 1.205 767 H CB 0.226 29.675 29.762 -0.521 0.000 1.460 767 H HN 0.557 nan 8.280 nan 0.000 0.478 768 H N -0.458 118.652 119.070 0.067 0.000 2.825 768 H HA 0.210 4.758 4.556 -0.013 0.000 0.226 768 H C -0.919 174.414 175.328 0.009 0.000 1.414 768 H CA -0.514 55.562 56.048 0.048 0.000 1.198 768 H CB 0.396 30.190 29.762 0.052 0.000 2.013 768 H HN -0.076 nan 8.280 nan 0.000 0.530 769 D N 1.581 122.008 120.400 0.044 0.000 2.422 769 D HA 0.096 4.728 4.640 -0.013 0.000 0.227 769 D C 0.897 177.127 176.300 -0.116 0.000 1.190 769 D CA -0.378 53.620 54.000 -0.004 0.000 0.905 769 D CB 0.613 41.395 40.800 -0.031 0.000 1.034 769 D HN 0.423 nan 8.370 nan 0.000 0.507 770 R N 2.232 122.548 120.500 -0.306 0.000 2.285 770 R HA -0.039 4.293 4.340 -0.013 0.000 0.213 770 R C 0.621 176.379 176.300 -0.904 0.000 1.068 770 R CA 0.800 56.517 56.100 -0.639 0.000 1.004 770 R CB 0.053 29.799 30.300 -0.923 0.000 0.873 770 R HN 0.372 nan 8.270 nan 0.000 0.467 771 F N 0.828 120.734 119.950 -0.074 0.000 2.639 771 F HA 0.255 4.774 4.527 -0.013 0.000 0.302 771 F C 0.021 175.689 175.800 -0.221 0.000 1.097 771 F CA -0.827 57.111 58.000 -0.103 0.000 1.294 771 F CB 0.038 39.032 39.000 -0.010 0.000 1.027 771 F HN -0.228 nan 8.300 nan 0.000 0.550 772 K N -0.374 119.805 120.400 -0.368 0.000 3.490 772 K HA -0.190 4.122 4.320 -0.013 0.000 0.273 772 K C 0.992 177.451 176.600 -0.236 0.000 0.916 772 K CA 0.186 56.068 56.287 -0.675 0.000 0.718 772 K CB -1.836 30.159 32.500 -0.842 0.000 1.477 772 K HN 0.220 nan 8.250 nan 0.000 0.452 773 V N 0.172 120.033 119.914 -0.088 0.000 2.287 773 V HA -0.280 3.832 4.120 -0.013 0.000 0.248 773 V C 2.006 178.229 176.094 0.216 0.000 1.053 773 V CA 2.217 64.548 62.300 0.051 0.000 1.027 773 V CB -0.505 31.344 31.823 0.043 0.000 0.646 773 V HN 0.535 nan 8.190 nan 0.000 0.447 774 F N 0.307 120.260 119.950 0.006 0.000 2.126 774 F HA -0.222 4.297 4.527 -0.013 0.000 0.299 774 F C 2.557 178.169 175.800 -0.314 0.000 1.096 774 F CA 0.748 58.701 58.000 -0.078 0.000 1.255 774 F CB -0.435 38.525 39.000 -0.067 0.000 0.997 774 F HN 0.204 nan 8.300 nan 0.000 0.479 775 A N -0.535 122.120 122.820 -0.274 0.000 2.076 775 A HA -0.220 4.092 4.320 -0.013 0.000 0.220 775 A C 1.432 179.020 177.584 0.006 0.000 1.160 775 A CA 2.059 53.863 52.037 -0.389 0.000 0.653 775 A CB -0.489 18.404 19.000 -0.179 0.000 0.801 775 A HN 0.262 nan 8.150 nan 0.000 0.455 776 D N -3.121 117.339 120.400 0.099 0.000 2.398 776 D HA 0.102 4.734 4.640 -0.013 0.000 0.210 776 D C 1.163 177.632 176.300 0.281 0.000 1.094 776 D CA -0.082 54.047 54.000 0.216 0.000 0.839 776 D CB -0.142 40.788 40.800 0.216 0.000 0.963 776 D HN 0.573 nan 8.370 nan 0.000 0.506 777 Y N 2.029 122.417 120.300 0.147 0.000 2.081 777 Y HA -0.241 4.301 4.550 -0.013 0.000 0.280 777 Y C 2.099 178.086 175.900 0.144 0.000 1.163 777 Y CA 1.952 60.148 58.100 0.159 0.000 1.135 777 Y CB 0.202 38.727 38.460 0.108 0.000 0.970 777 Y HN -0.095 nan 8.280 nan 0.000 0.498 778 E N -0.096 120.181 120.200 0.129 0.000 2.058 778 E HA -0.256 4.086 4.350 -0.013 0.000 0.194 778 E C 2.209 178.781 176.600 -0.046 0.000 0.997 778 E CA 1.551 57.949 56.400 -0.004 0.000 0.801 778 E CB -0.182 29.614 29.700 0.160 0.000 0.746 778 E HN 0.620 nan 8.360 nan 0.000 0.450 779 E N -0.363 119.884 120.200 0.078 0.000 2.150 779 E HA -0.193 4.149 4.350 -0.013 0.000 0.193 779 E C 1.868 178.442 176.600 -0.043 0.000 0.985 779 E CA 0.634 57.094 56.400 0.101 0.000 0.814 779 E CB -0.060 29.796 29.700 0.260 0.000 0.752 779 E HN 0.262 nan 8.360 nan 0.000 0.466 780 Y N 0.903 120.991 120.300 -0.354 0.000 2.163 780 Y HA -0.201 4.341 4.550 -0.013 0.000 0.288 780 Y C 2.077 177.577 175.900 -0.667 0.000 1.136 780 Y CA 0.982 58.541 58.100 -0.901 0.000 1.147 780 Y CB -0.466 37.550 38.460 -0.741 0.000 0.987 780 Y HN -0.201 nan 8.280 nan 0.000 0.509 781 V N 0.779 120.340 119.914 -0.589 0.000 2.343 781 V HA -0.319 3.793 4.120 -0.013 0.000 0.247 781 V C 2.327 178.195 176.094 -0.376 0.000 1.051 781 V CA 2.343 64.318 62.300 -0.541 0.000 1.036 781 V CB -0.596 30.935 31.823 -0.486 0.000 0.654 781 V HN 0.318 nan 8.190 nan 0.000 0.451 782 K N -0.901 119.341 120.400 -0.264 0.000 2.026 782 K HA -0.216 4.096 4.320 -0.013 0.000 0.208 782 K C 2.303 178.810 176.600 -0.154 0.000 1.048 782 K CA 1.742 57.938 56.287 -0.151 0.000 0.929 782 K CB -0.610 31.848 32.500 -0.070 0.000 0.713 782 K HN 0.534 nan 8.250 nan 0.000 0.439 783 C N 1.528 120.709 119.300 -0.198 0.000 2.425 783 C HA -0.099 4.353 4.460 -0.013 0.000 0.277 783 C C 2.601 177.428 174.990 -0.272 0.000 1.280 783 C CA 0.845 59.781 59.018 -0.138 0.000 1.744 783 C CB -0.676 26.990 27.740 -0.123 0.000 1.989 783 C HN 0.425 nan 8.230 nan 0.000 0.491 784 Q N 0.278 119.779 119.800 -0.500 0.000 2.224 784 Q HA -0.148 4.184 4.340 -0.013 0.000 0.203 784 Q C 1.972 177.794 176.000 -0.296 0.000 0.970 784 Q CA 1.436 56.907 55.803 -0.555 0.000 0.865 784 Q CB -0.309 27.886 28.738 -0.906 0.000 0.922 784 Q HN 0.760 nan 8.270 nan 0.000 0.445 785 E N 0.143 120.224 120.200 -0.198 0.000 2.107 785 E HA -0.105 4.237 4.350 -0.013 0.000 0.191 785 E C 2.018 178.595 176.600 -0.039 0.000 0.982 785 E CA 0.480 56.824 56.400 -0.094 0.000 0.809 785 E CB 0.116 29.776 29.700 -0.067 0.000 0.756 785 E HN 0.253 nan 8.360 nan 0.000 0.459 786 R N 0.301 120.793 120.500 -0.014 0.000 2.115 786 R HA -0.074 4.258 4.340 -0.013 0.000 0.230 786 R C 2.329 178.707 176.300 0.131 0.000 1.111 786 R CA 0.858 57.028 56.100 0.117 0.000 0.976 786 R CB -0.319 30.122 30.300 0.234 0.000 0.870 786 R HN 0.082 nan 8.270 nan 0.000 0.445 787 V N 0.676 120.476 119.914 -0.189 0.000 2.307 787 V HA -0.205 3.907 4.120 -0.013 0.000 0.245 787 V C 2.219 178.337 176.094 0.040 0.000 1.045 787 V CA 1.842 63.905 62.300 -0.394 0.000 1.024 787 V CB -0.317 31.087 31.823 -0.698 0.000 0.651 787 V HN 0.264 nan 8.190 nan 0.000 0.449 788 S N -0.017 115.666 115.700 -0.028 0.000 2.382 788 S HA -0.161 4.301 4.470 -0.013 0.000 0.228 788 S C 2.177 176.852 174.600 0.126 0.000 1.027 788 S CA 1.383 59.597 58.200 0.024 0.000 0.991 788 S CB -0.400 62.783 63.200 -0.028 0.000 0.823 788 S HN 0.647 nan 8.310 nan 0.000 0.469 789 A N 1.247 124.146 122.820 0.131 0.000 1.873 789 A HA 0.040 4.353 4.320 -0.013 0.000 0.215 789 A C 2.086 179.793 177.584 0.206 0.000 1.186 789 A CA 0.979 53.106 52.037 0.150 0.000 0.616 789 A CB -0.680 18.398 19.000 0.129 0.000 0.823 789 A HN 0.462 nan 8.150 nan 0.000 0.442 790 L N -1.918 119.493 121.223 0.314 0.000 2.093 790 L HA -0.159 4.173 4.340 -0.013 0.000 0.208 790 L C 2.472 179.630 176.870 0.480 0.000 1.085 790 L CA 1.853 56.950 54.840 0.429 0.000 0.755 790 L CB -0.466 41.958 42.059 0.609 0.000 0.904 790 L HN 0.582 nan 8.230 nan 0.000 0.435 791 Y N 1.002 121.450 120.300 0.246 0.000 2.315 791 Y HA -0.284 4.258 4.550 -0.012 0.000 0.288 791 Y C 2.428 178.240 175.900 -0.146 0.000 1.154 791 Y CA 1.645 59.578 58.100 -0.279 0.000 1.229 791 Y CB -0.096 38.001 38.460 -0.605 0.000 0.980 791 Y HN 0.069 nan 8.280 nan 0.000 0.540 792 K N -0.041 120.378 120.400 0.031 0.000 2.442 792 K HA -0.106 4.206 4.320 -0.013 0.000 0.198 792 K C 0.362 176.931 176.600 -0.052 0.000 1.042 792 K CA 0.604 56.890 56.287 -0.003 0.000 0.958 792 K CB -0.064 32.485 32.500 0.082 0.000 0.766 792 K HN 0.054 nan 8.250 nan 0.000 0.474 793 N N 0.369 119.059 118.700 -0.017 0.000 2.976 793 N HA 0.130 4.862 4.740 -0.013 0.000 0.255 793 N C -2.432 173.079 175.510 0.002 0.000 1.312 793 N CA -2.120 50.932 53.050 0.004 0.000 0.897 793 N CB 1.006 39.532 38.487 0.065 0.000 1.184 793 N HN -0.181 nan 8.380 nan 0.000 0.497 794 P HA -0.263 nan 4.420 nan 0.000 0.221 794 P C 1.457 178.773 177.300 0.026 0.000 1.160 794 P CA 1.468 64.500 63.100 -0.114 0.000 0.933 794 P CB 0.315 31.928 31.700 -0.146 0.000 0.793 795 R N -0.453 120.060 120.500 0.021 0.000 2.083 795 R HA -0.185 4.147 4.340 -0.013 0.000 0.237 795 R C 2.108 178.456 176.300 0.081 0.000 1.137 795 R CA 1.594 57.721 56.100 0.045 0.000 0.951 795 R CB -0.395 29.921 30.300 0.027 0.000 0.851 795 R HN 0.153 nan 8.270 nan 0.000 0.434 796 E N -0.329 119.929 120.200 0.095 0.000 2.152 796 E HA -0.210 4.133 4.350 -0.013 0.000 0.192 796 E C 1.562 178.252 176.600 0.151 0.000 0.983 796 E CA 0.578 57.040 56.400 0.103 0.000 0.818 796 E CB -0.401 29.356 29.700 0.094 0.000 0.758 796 E HN 0.519 nan 8.360 nan 0.000 0.467 797 W N 2.111 123.416 121.300 0.009 0.000 2.355 797 W HA -0.169 4.482 4.660 -0.015 0.000 0.309 797 W C 1.545 178.081 176.519 0.029 0.000 1.206 797 W CA 2.037 59.406 57.345 0.039 0.000 1.284 797 W CB -0.408 29.054 29.460 0.003 0.000 1.145 797 W HN 0.021 nan 8.180 nan 0.000 0.502 798 T N 1.239 115.959 114.554 0.277 0.000 2.867 798 T HA -0.152 4.191 4.350 -0.013 0.000 0.268 798 T C 1.839 176.573 174.700 0.058 0.000 1.057 798 T CA 1.531 63.722 62.100 0.151 0.000 1.136 798 T CB -0.248 68.686 68.868 0.111 0.000 0.874 798 T HN 0.182 nan 8.240 nan 0.000 0.466 799 R N 0.404 120.939 120.500 0.059 0.000 2.092 799 R HA 0.128 4.460 4.340 -0.013 0.000 0.231 799 R C 2.477 178.784 176.300 0.010 0.000 1.119 799 R CA 1.098 57.227 56.100 0.049 0.000 0.970 799 R CB -0.322 30.007 30.300 0.049 0.000 0.864 799 R HN 0.360 nan 8.270 nan 0.000 0.440 800 M N 0.493 120.066 119.600 -0.045 0.000 2.175 800 M HA -0.128 4.344 4.480 -0.013 0.000 0.264 800 M C 1.943 178.172 176.300 -0.118 0.000 1.063 800 M CA 1.327 56.563 55.300 -0.107 0.000 1.119 800 M CB 0.183 32.661 32.600 -0.203 0.000 1.377 800 M HN -0.037 nan 8.290 nan 0.000 0.415 801 V N 0.834 120.664 119.914 -0.140 0.000 2.295 801 V HA -0.309 3.803 4.120 -0.013 0.000 0.246 801 V C 2.209 178.301 176.094 -0.005 0.000 1.049 801 V CA 2.019 64.262 62.300 -0.095 0.000 1.024 801 V CB -0.588 31.205 31.823 -0.051 0.000 0.648 801 V HN 0.512 nan 8.190 nan 0.000 0.447 802 I N -0.540 120.052 120.570 0.037 0.000 2.264 802 I HA -0.271 3.891 4.170 -0.013 0.000 0.248 802 I C 2.656 178.830 176.117 0.096 0.000 1.111 802 I CA 1.593 62.962 61.300 0.115 0.000 1.382 802 I CB -0.394 37.726 38.000 0.200 0.000 1.060 802 I HN 0.228 nan 8.210 nan 0.000 0.418 803 R N 0.252 120.785 120.500 0.055 0.000 2.189 803 R HA -0.064 4.268 4.340 -0.013 0.000 0.218 803 R C 1.954 178.288 176.300 0.057 0.000 1.074 803 R CA 0.867 56.995 56.100 0.047 0.000 0.991 803 R CB -0.326 29.988 30.300 0.023 0.000 0.883 803 R HN 0.528 nan 8.270 nan 0.000 0.457 804 N N 0.699 119.428 118.700 0.048 0.000 2.148 804 N HA -0.041 4.691 4.740 -0.013 0.000 0.186 804 N C 1.936 177.504 175.510 0.097 0.000 1.031 804 N CA 0.951 54.050 53.050 0.081 0.000 0.848 804 N CB 0.041 38.548 38.487 0.033 0.000 1.005 804 N HN 0.091 nan 8.380 nan 0.000 0.427 805 I N 1.662 122.278 120.570 0.076 0.000 2.208 805 I HA -0.240 3.922 4.170 -0.013 0.000 0.245 805 I C 2.409 178.571 176.117 0.075 0.000 1.097 805 I CA 0.902 62.249 61.300 0.079 0.000 1.363 805 I CB -0.288 37.754 38.000 0.069 0.000 1.051 805 I HN 0.096 nan 8.210 nan 0.000 0.413 806 A N 0.229 123.094 122.820 0.074 0.000 2.067 806 A HA -0.154 4.158 4.320 -0.013 0.000 0.219 806 A C 2.048 179.663 177.584 0.050 0.000 1.158 806 A CA 1.983 54.052 52.037 0.054 0.000 0.661 806 A CB -0.826 18.209 19.000 0.059 0.000 0.801 806 A HN 0.535 nan 8.150 nan 0.000 0.452 807 T N -3.014 111.585 114.554 0.075 0.000 3.174 807 T HA 0.193 4.535 4.350 -0.013 0.000 0.269 807 T C 1.080 175.856 174.700 0.126 0.000 1.017 807 T CA 0.596 62.742 62.100 0.077 0.000 0.899 807 T CB -0.191 68.724 68.868 0.078 0.000 1.077 807 T HN 0.452 nan 8.240 nan 0.000 0.552 808 S N 0.029 115.822 115.700 0.154 0.000 2.593 808 S HA 0.256 4.719 4.470 -0.013 0.000 0.217 808 S C 2.224 176.924 174.600 0.167 0.000 0.966 808 S CA 0.240 58.600 58.200 0.267 0.000 0.914 808 S CB -0.587 62.759 63.200 0.243 0.000 0.776 808 S HN 0.525 nan 8.310 nan 0.000 0.523 809 G N 2.758 111.590 108.800 0.054 0.000 2.503 809 G HA2 -0.311 3.641 3.960 -0.013 0.000 0.221 809 G HA3 -0.311 3.641 3.960 -0.013 0.000 0.221 809 G C 1.336 176.181 174.900 -0.091 0.000 1.131 809 G CA 1.095 46.198 45.100 0.006 0.000 0.756 809 G HN 0.585 nan 8.290 nan 0.000 0.572 810 K N -0.123 120.106 120.400 -0.285 0.000 2.209 810 K HA -0.027 4.285 4.320 -0.013 0.000 0.204 810 K C 1.168 177.437 176.600 -0.552 0.000 1.048 810 K CA 0.656 56.637 56.287 -0.511 0.000 0.940 810 K CB -0.248 31.756 32.500 -0.828 0.000 0.729 810 K HN 0.428 nan 8.250 nan 0.000 0.451 811 F N 1.046 121.022 119.950 0.044 0.000 2.663 811 F HA 0.105 4.624 4.527 -0.014 0.000 0.299 811 F C 0.773 176.615 175.800 0.069 0.000 1.143 811 F CA -0.606 57.426 58.000 0.054 0.000 1.387 811 F CB 0.379 39.408 39.000 0.048 0.000 1.019 811 F HN -0.116 nan 8.300 nan 0.000 0.523 812 S N 0.149 115.930 115.700 0.135 0.000 2.537 812 S HA 0.114 4.576 4.470 -0.013 0.000 0.275 812 S C 1.365 176.044 174.600 0.131 0.000 1.272 812 S CA -0.314 57.964 58.200 0.130 0.000 1.050 812 S CB 1.053 64.301 63.200 0.080 0.000 0.961 812 S HN 0.306 nan 8.310 nan 0.000 0.496 813 S N 3.023 118.824 115.700 0.168 0.000 2.547 813 S HA -0.067 4.395 4.470 -0.013 0.000 0.235 813 S C 0.867 175.512 174.600 0.074 0.000 0.980 813 S CA 0.653 58.967 58.200 0.190 0.000 0.941 813 S CB -0.375 63.009 63.200 0.307 0.000 0.763 813 S HN 0.785 nan 8.310 nan 0.000 0.532 814 D N 1.881 122.313 120.400 0.054 0.000 2.144 814 D HA -0.053 4.579 4.640 -0.013 0.000 0.200 814 D C 2.103 178.402 176.300 -0.002 0.000 0.978 814 D CA 0.714 54.724 54.000 0.016 0.000 0.833 814 D CB -0.294 40.515 40.800 0.016 0.000 0.961 814 D HN 0.278 nan 8.370 nan 0.000 0.470 815 R N 0.743 121.246 120.500 0.004 0.000 2.066 815 R HA -0.086 4.246 4.340 -0.013 0.000 0.232 815 R C 1.838 178.124 176.300 -0.023 0.000 1.131 815 R CA 1.424 57.513 56.100 -0.019 0.000 0.955 815 R CB -0.733 29.545 30.300 -0.036 0.000 0.851 815 R HN 0.129 nan 8.270 nan 0.000 0.432 816 T N 2.248 116.809 114.554 0.011 0.000 2.652 816 T HA -0.134 4.208 4.350 -0.013 0.000 0.267 816 T C 1.944 176.635 174.700 -0.015 0.000 1.039 816 T CA 1.411 63.532 62.100 0.035 0.000 1.153 816 T CB -0.151 68.806 68.868 0.149 0.000 0.863 816 T HN 0.103 nan 8.240 nan 0.000 0.428 817 I N 1.779 122.261 120.570 -0.147 0.000 2.286 817 I HA -0.093 4.069 4.170 -0.013 0.000 0.248 817 I C 2.915 178.978 176.117 -0.090 0.000 1.115 817 I CA 0.915 62.093 61.300 -0.204 0.000 1.392 817 I CB -1.668 36.218 38.000 -0.191 0.000 1.065 817 I HN 0.207 nan 8.210 nan 0.000 0.418 818 A N 0.053 122.840 122.820 -0.055 0.000 1.972 818 A HA -0.229 4.083 4.320 -0.013 0.000 0.219 818 A C 2.252 179.790 177.584 -0.077 0.000 1.169 818 A CA 1.387 53.400 52.037 -0.039 0.000 0.635 818 A CB -0.513 18.471 19.000 -0.028 0.000 0.810 818 A HN 0.513 nan 8.150 nan 0.000 0.446 819 Q N -1.989 117.746 119.800 -0.109 0.000 2.083 819 Q HA -0.135 4.197 4.340 -0.013 0.000 0.198 819 Q C 1.901 177.730 176.000 -0.285 0.000 0.969 819 Q CA 1.472 57.172 55.803 -0.172 0.000 0.838 819 Q CB -0.254 28.371 28.738 -0.189 0.000 0.900 819 Q HN 0.822 nan 8.270 nan 0.000 0.436 820 Y N 0.598 120.605 120.300 -0.489 0.000 2.145 820 Y HA -0.266 4.276 4.550 -0.013 0.000 0.286 820 Y C 2.461 177.781 175.900 -0.968 0.000 1.145 820 Y CA 1.266 58.824 58.100 -0.904 0.000 1.148 820 Y CB -0.422 37.204 38.460 -1.390 0.000 0.981 820 Y HN 0.149 nan 8.280 nan 0.000 0.507 821 A N 0.413 122.998 122.820 -0.391 0.000 1.873 821 A HA -0.247 4.066 4.320 -0.013 0.000 0.218 821 A C 2.273 179.867 177.584 0.016 0.000 1.193 821 A CA 2.186 54.243 52.037 0.034 0.000 0.629 821 A CB -0.600 18.482 19.000 0.138 0.000 0.826 821 A HN 0.419 nan 8.150 nan 0.000 0.447 822 R N -0.761 119.710 120.500 -0.049 0.000 2.062 822 R HA -0.044 4.288 4.340 -0.013 0.000 0.226 822 R C 1.891 178.163 176.300 -0.046 0.000 1.125 822 R CA 1.506 57.589 56.100 -0.029 0.000 0.966 822 R CB -0.256 30.022 30.300 -0.036 0.000 0.861 822 R HN 0.657 nan 8.270 nan 0.000 0.433 823 E N -0.334 119.798 120.200 -0.114 0.000 2.447 823 E HA 0.078 4.420 4.350 -0.013 0.000 0.195 823 E C 1.443 177.989 176.600 -0.089 0.000 1.028 823 E CA 0.472 56.810 56.400 -0.103 0.000 0.876 823 E CB 0.483 30.096 29.700 -0.144 0.000 0.885 823 E HN 0.328 nan 8.360 nan 0.000 0.500 824 I N -1.494 118.990 120.570 -0.144 0.000 4.046 824 I HA 0.027 4.189 4.170 -0.013 0.000 0.285 824 I C 1.239 177.494 176.117 0.229 0.000 1.183 824 I CA -0.083 61.191 61.300 -0.044 0.000 1.337 824 I CB 0.219 38.051 38.000 -0.280 0.000 1.478 824 I HN 0.121 nan 8.210 nan 0.000 0.452 825 W N 1.590 122.981 121.300 0.152 0.000 2.576 825 W HA 0.320 4.972 4.660 -0.013 0.000 0.270 825 W C 1.581 178.136 176.519 0.061 0.000 1.255 825 W CA 0.910 58.326 57.345 0.119 0.000 1.314 825 W CB -0.983 28.534 29.460 0.095 0.000 1.101 825 W HN 0.323 nan 8.180 nan 0.000 0.595 826 G N 0.908 109.850 108.800 0.237 0.000 2.182 826 G HA2 -0.114 3.838 3.960 -0.013 0.000 0.248 826 G HA3 -0.114 3.838 3.960 -0.013 0.000 0.248 826 G C -0.315 174.655 174.900 0.116 0.000 1.042 826 G CA 0.171 45.351 45.100 0.132 0.000 0.775 826 G HN 0.438 nan 8.290 nan 0.000 0.501 827 V N -4.135 115.867 119.914 0.147 0.000 2.876 827 V HA 0.908 5.020 4.120 -0.013 0.000 0.312 827 V C -0.351 175.797 176.094 0.089 0.000 1.085 827 V CA -1.652 60.712 62.300 0.107 0.000 0.945 827 V CB 2.334 34.226 31.823 0.115 0.000 1.017 827 V HN 0.112 nan 8.190 nan 0.000 0.428 828 E N 4.096 124.331 120.200 0.059 0.000 2.174 828 E HA 0.510 4.852 4.350 -0.013 0.000 0.282 828 E C -2.489 174.141 176.600 0.050 0.000 0.992 828 E CA -1.785 54.643 56.400 0.047 0.000 0.803 828 E CB 1.784 31.504 29.700 0.034 0.000 1.090 828 E HN 0.758 nan 8.360 nan 0.000 0.396 829 P HA 0.081 nan 4.420 nan 0.000 0.272 829 P C -0.577 176.748 177.300 0.041 0.000 1.223 829 P CA -0.313 62.815 63.100 0.048 0.000 0.784 829 P CB 0.873 32.597 31.700 0.040 0.000 0.923 830 S N 1.535 117.262 115.700 0.046 0.000 2.614 830 S HA 0.347 4.810 4.470 -0.013 0.000 0.288 830 S C 0.312 174.936 174.600 0.041 0.000 1.137 830 S CA -0.848 57.379 58.200 0.044 0.000 0.992 830 S CB 1.222 64.455 63.200 0.055 0.000 1.026 830 S HN 0.277 nan 8.310 nan 0.000 0.486 831 R N 2.408 122.928 120.500 0.033 0.000 2.426 831 R HA 0.195 4.527 4.340 -0.013 0.000 0.263 831 R C -0.021 176.292 176.300 0.022 0.000 0.961 831 R CA -0.028 56.090 56.100 0.031 0.000 1.086 831 R CB 0.043 30.361 30.300 0.029 0.000 1.186 831 R HN 0.692 nan 8.270 nan 0.000 0.537 832 Q N 1.141 120.954 119.800 0.023 0.000 2.296 832 Q HA 0.103 4.435 4.340 -0.013 0.000 0.262 832 Q C -0.264 175.734 176.000 -0.004 0.000 0.981 832 Q CA 0.051 55.861 55.803 0.011 0.000 0.905 832 Q CB 0.945 29.694 28.738 0.019 0.000 1.186 832 Q HN -0.102 nan 8.270 nan 0.000 0.399 833 R N 1.694 122.182 120.500 -0.020 0.000 2.623 833 R HA 0.071 4.403 4.340 -0.013 0.000 0.271 833 R C -0.672 175.594 176.300 -0.058 0.000 1.043 833 R CA -0.122 55.954 56.100 -0.040 0.000 1.083 833 R CB 0.282 30.555 30.300 -0.045 0.000 0.974 833 R HN 0.408 nan 8.270 nan 0.000 0.436 834 L N 5.979 127.155 121.223 -0.078 0.000 2.350 834 L HA 0.316 4.648 4.340 -0.013 0.000 0.275 834 L C -1.770 175.037 176.870 -0.106 0.000 1.099 834 L CA -2.130 52.634 54.840 -0.127 0.000 0.808 834 L CB 1.044 43.014 42.059 -0.150 0.000 1.149 834 L HN 0.615 nan 8.230 nan 0.000 0.442 835 P HA -0.036 nan 4.420 nan 0.000 0.165 835 P C 0.093 177.358 177.300 -0.057 0.000 1.190 835 P CA 0.690 63.743 63.100 -0.078 0.000 1.111 835 P CB -0.745 30.907 31.700 -0.080 0.000 1.648 836 A N 2.893 125.684 122.820 -0.049 0.000 6.121 836 A HA -0.164 4.148 4.320 -0.013 0.000 0.424 836 A C -2.107 175.461 177.584 -0.027 0.000 2.043 836 A CA 0.045 52.061 52.037 -0.034 0.000 1.677 836 A CB -2.326 16.660 19.000 -0.023 0.000 1.203 836 A HN 0.382 nan 8.150 nan 0.000 0.561 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.102 63.100 0.003 0.000 0.800 837 P CB 0.000 31.714 31.700 0.024 0.000 0.726