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 2qn7_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 XXNFDAFPDK 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 RLPA 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 0.000 176.118 176.117 0.002 0.000 1.063 13 I CA 0.000 61.300 61.300 -0.001 0.000 1.566 13 I CB 0.000 38.001 38.000 0.001 0.000 1.214 14 S N 4.624 120.328 115.700 0.008 0.000 2.419 14 S HA -0.153 4.312 4.470 -0.008 0.000 0.235 14 S C 1.672 176.281 174.600 0.014 0.000 1.019 14 S CA 1.404 59.609 58.200 0.009 0.000 0.982 14 S CB -0.415 62.793 63.200 0.013 0.000 0.789 14 S HN 1.164 nan 8.310 nan 0.000 0.490 15 V N -0.528 119.401 119.914 0.026 0.000 3.444 15 V HA 0.253 4.368 4.120 -0.008 0.000 0.271 15 V C 1.601 177.709 176.094 0.024 0.000 1.188 15 V CA 0.699 63.018 62.300 0.032 0.000 1.168 15 V CB -1.053 30.798 31.823 0.047 0.000 0.810 15 V HN 0.437 nan 8.190 nan 0.000 0.500 16 R N 1.116 121.621 120.500 0.008 0.000 2.427 16 R HA 0.471 4.806 4.340 -0.008 0.000 0.262 16 R C 1.046 177.336 176.300 -0.017 0.000 0.943 16 R CA 0.502 56.600 56.100 -0.002 0.000 1.081 16 R CB 0.305 30.600 30.300 -0.008 0.000 1.166 16 R HN 0.762 nan 8.270 nan 0.000 0.534 17 G N 0.973 109.761 108.800 -0.019 0.000 2.795 17 G HA2 -0.215 3.740 3.960 -0.008 0.000 0.664 17 G HA3 -0.215 3.740 3.960 -0.008 0.000 0.664 17 G C -0.791 174.092 174.900 -0.029 0.000 1.381 17 G CA -1.063 44.017 45.100 -0.034 0.000 0.853 17 G HN -0.017 nan 8.290 nan 0.000 0.545 18 L N 0.229 121.433 121.223 -0.033 0.000 2.375 18 L HA 0.683 5.018 4.340 -0.008 0.000 0.271 18 L C 1.223 178.077 176.870 -0.026 0.000 1.107 18 L CA 0.282 55.107 54.840 -0.026 0.000 0.806 18 L CB 1.096 43.140 42.059 -0.024 0.000 1.146 18 L HN 1.524 nan 8.230 nan 0.000 0.447 19 A N 1.989 124.798 122.820 -0.019 0.000 3.079 19 A HA 0.563 4.878 4.320 -0.008 0.000 0.315 19 A C 0.746 178.325 177.584 -0.008 0.000 1.334 19 A CA -0.346 51.682 52.037 -0.015 0.000 1.048 19 A CB -0.444 18.548 19.000 -0.013 0.000 1.156 19 A HN 0.811 nan 8.150 nan 0.000 0.523 20 G N -0.046 108.748 108.800 -0.010 0.000 2.484 20 G HA2 0.324 4.279 3.960 -0.008 0.000 0.235 20 G HA3 0.324 4.279 3.960 -0.008 0.000 0.235 20 G C 1.242 176.144 174.900 0.004 0.000 1.282 20 G CA 0.179 45.276 45.100 -0.003 0.000 0.857 20 G HN 1.302 nan 8.290 nan 0.000 0.571 21 V N 0.107 120.025 119.914 0.006 0.000 2.295 21 V HA -0.159 3.956 4.120 -0.008 0.000 0.246 21 V C 2.223 178.326 176.094 0.014 0.000 1.049 21 V CA 2.415 64.721 62.300 0.010 0.000 1.024 21 V CB -0.794 31.034 31.823 0.009 0.000 0.648 21 V HN 0.876 nan 8.190 nan 0.000 0.447 22 E N 0.441 120.650 120.200 0.015 0.000 2.358 22 E HA -0.146 4.199 4.350 -0.008 0.000 0.195 22 E C 1.858 178.476 176.600 0.030 0.000 1.010 22 E CA 1.188 57.600 56.400 0.021 0.000 0.856 22 E CB -0.483 29.228 29.700 0.020 0.000 0.795 22 E HN 0.655 nan 8.360 nan 0.000 0.504 23 N N 0.993 119.708 118.700 0.024 0.000 2.173 23 N HA -0.094 4.641 4.740 -0.008 0.000 0.184 23 N C 1.757 177.289 175.510 0.037 0.000 1.025 23 N CA 1.023 54.091 53.050 0.030 0.000 0.852 23 N CB 0.114 38.604 38.487 0.004 0.000 0.998 23 N HN 0.005 nan 8.380 nan 0.000 0.427 24 V N 0.055 119.983 119.914 0.025 0.000 2.343 24 V HA -0.207 3.908 4.120 -0.008 0.000 0.247 24 V C 2.007 178.121 176.094 0.034 0.000 1.051 24 V CA 1.952 64.267 62.300 0.025 0.000 1.036 24 V CB -0.946 30.887 31.823 0.017 0.000 0.654 24 V HN 0.413 nan 8.190 nan 0.000 0.451 25 T N -0.568 114.006 114.554 0.033 0.000 2.788 25 T HA -0.219 4.126 4.350 -0.008 0.000 0.268 25 T C 1.909 176.641 174.700 0.054 0.000 1.044 25 T CA 1.778 63.899 62.100 0.035 0.000 1.139 25 T CB -0.165 68.720 68.868 0.028 0.000 0.867 25 T HN 0.485 nan 8.240 nan 0.000 0.454 26 E N 1.054 121.294 120.200 0.066 0.000 2.047 26 E HA -0.001 4.344 4.350 -0.008 0.000 0.191 26 E C 2.072 178.748 176.600 0.125 0.000 0.987 26 E CA 0.882 57.336 56.400 0.089 0.000 0.799 26 E CB -0.531 29.230 29.700 0.102 0.000 0.752 26 E HN 0.421 nan 8.360 nan 0.000 0.449 27 L N 0.405 121.712 121.223 0.140 0.000 2.012 27 L HA -0.239 4.096 4.340 -0.008 0.000 0.210 27 L C 2.527 179.505 176.870 0.179 0.000 1.073 27 L CA 1.645 56.593 54.840 0.181 0.000 0.748 27 L CB -0.455 41.687 42.059 0.138 0.000 0.891 27 L HN 0.119 nan 8.230 nan 0.000 0.431 28 K N 0.516 120.981 120.400 0.108 0.000 2.032 28 K HA -0.245 4.070 4.320 -0.008 0.000 0.209 28 K C 2.130 178.832 176.600 0.170 0.000 1.048 28 K CA 2.047 58.391 56.287 0.095 0.000 0.927 28 K CB -0.173 32.343 32.500 0.027 0.000 0.712 28 K HN 0.398 nan 8.250 nan 0.000 0.441 29 K N 0.371 120.849 120.400 0.130 0.000 2.148 29 K HA -0.068 4.247 4.320 -0.008 0.000 0.204 29 K C 1.564 178.248 176.600 0.140 0.000 1.050 29 K CA 1.401 57.759 56.287 0.119 0.000 0.942 29 K CB -0.053 32.492 32.500 0.075 0.000 0.724 29 K HN 0.006 nan 8.250 nan 0.000 0.446 30 N N 0.201 118.998 118.700 0.162 0.000 2.354 30 N HA -0.092 4.643 4.740 -0.008 0.000 0.179 30 N C 1.503 177.166 175.510 0.254 0.000 1.021 30 N CA 0.818 53.958 53.050 0.148 0.000 0.887 30 N CB -0.188 38.394 38.487 0.158 0.000 0.974 30 N HN 0.224 nan 8.380 nan 0.000 0.437 31 F N 2.629 122.676 119.950 0.161 0.000 2.102 31 F HA -0.055 4.468 4.527 -0.008 0.000 0.298 31 F C 1.941 177.845 175.800 0.174 0.000 1.105 31 F CA 1.283 59.394 58.000 0.185 0.000 1.239 31 F CB -0.172 38.905 39.000 0.129 0.000 0.991 31 F HN -0.035 nan 8.300 nan 0.000 0.474 32 N N 0.424 119.323 118.700 0.332 0.000 2.331 32 N HA -0.157 4.578 4.740 -0.008 0.000 0.180 32 N C 2.008 177.577 175.510 0.098 0.000 1.019 32 N CA 0.932 54.098 53.050 0.193 0.000 0.881 32 N CB -0.484 38.117 38.487 0.192 0.000 0.972 32 N HN 0.400 nan 8.380 nan 0.000 0.435 33 R N 0.437 121.001 120.500 0.107 0.000 2.075 33 R HA -0.075 4.260 4.340 -0.008 0.000 0.232 33 R C 1.659 178.027 176.300 0.113 0.000 1.126 33 R CA 1.335 57.520 56.100 0.143 0.000 0.963 33 R CB -0.161 30.174 30.300 0.057 0.000 0.858 33 R HN 0.331 nan 8.270 nan 0.000 0.435 34 H N -0.369 118.737 119.070 0.060 0.000 2.395 34 H HA -0.095 4.456 4.556 -0.008 0.000 0.299 34 H C 1.835 177.103 175.328 -0.099 0.000 1.070 34 H CA 1.337 57.364 56.048 -0.034 0.000 1.356 34 H CB 0.142 29.853 29.762 -0.085 0.000 1.401 34 H HN 0.120 nan 8.280 nan 0.000 0.524 35 L N -0.033 121.173 121.223 -0.028 0.000 2.131 35 L HA -0.178 4.157 4.340 -0.008 0.000 0.210 35 L C 2.116 178.961 176.870 -0.042 0.000 1.092 35 L CA 1.794 56.586 54.840 -0.080 0.000 0.759 35 L CB -0.377 41.626 42.059 -0.093 0.000 0.903 35 L HN 0.298 nan 8.230 nan 0.000 0.435 36 H N -1.754 117.223 119.070 -0.154 0.000 2.287 36 H HA -0.022 4.529 4.556 -0.008 0.000 0.309 36 H C 1.793 176.915 175.328 -0.344 0.000 1.059 36 H CA 2.157 58.020 56.048 -0.308 0.000 1.357 36 H CB -0.286 29.176 29.762 -0.500 0.000 1.409 36 H HN 0.262 nan 8.280 nan 0.000 0.515 37 F N -0.210 119.711 119.950 -0.047 0.000 2.234 37 F HA -0.043 4.479 4.527 -0.009 0.000 0.296 37 F C 2.612 178.332 175.800 -0.133 0.000 1.089 37 F CA 1.461 59.389 58.000 -0.120 0.000 1.343 37 F CB -0.555 38.409 39.000 -0.059 0.000 1.040 37 F HN 0.182 nan 8.300 nan 0.000 0.498 38 T N -0.103 114.488 114.554 0.061 0.000 2.814 38 T HA -0.014 4.331 4.350 -0.008 0.000 0.254 38 T C 1.780 176.399 174.700 -0.135 0.000 1.037 38 T CA 0.803 62.867 62.100 -0.060 0.000 1.143 38 T CB -0.287 68.517 68.868 -0.106 0.000 0.866 38 T HN -0.054 nan 8.240 nan 0.000 0.431 39 L N 0.998 122.142 121.223 -0.130 0.000 2.418 39 L HA 0.244 4.579 4.340 -0.008 0.000 0.218 39 L C 0.709 177.491 176.870 -0.147 0.000 1.125 39 L CA 0.391 55.144 54.840 -0.145 0.000 0.835 39 L CB -0.831 41.153 42.059 -0.124 0.000 0.953 39 L HN 0.065 nan 8.230 nan 0.000 0.454 40 V N 0.294 120.103 119.914 -0.174 0.000 6.125 40 V HA -0.276 3.839 4.120 -0.008 0.000 0.281 40 V C 0.371 176.359 176.094 -0.177 0.000 0.591 40 V CA 0.723 62.891 62.300 -0.221 0.000 0.617 40 V CB -2.007 29.713 31.823 -0.171 0.000 0.336 40 V HN 0.379 nan 8.190 nan 0.000 0.650 41 K N 0.339 120.644 120.400 -0.158 0.000 2.433 41 K HA 0.703 5.018 4.320 -0.008 0.000 0.252 41 K C -0.635 175.938 176.600 -0.046 0.000 1.015 41 K CA -0.938 55.290 56.287 -0.099 0.000 0.860 41 K CB 2.112 34.553 32.500 -0.099 0.000 1.359 41 K HN 0.223 nan 8.250 nan 0.000 0.452 42 D N 0.533 120.919 120.400 -0.024 0.000 2.217 42 D HA 0.205 4.840 4.640 -0.008 0.000 0.248 42 D C 0.933 177.254 176.300 0.036 0.000 1.008 42 D CA -0.377 53.632 54.000 0.015 0.000 0.914 42 D CB 1.648 42.452 40.800 0.006 0.000 1.182 42 D HN 0.330 nan 8.370 nan 0.000 0.451 43 R N 1.379 121.925 120.500 0.076 0.000 2.280 43 R HA 0.056 4.391 4.340 -0.008 0.000 0.207 43 R C 0.465 176.832 176.300 0.112 0.000 1.043 43 R CA 1.227 57.411 56.100 0.140 0.000 1.006 43 R CB -0.123 30.268 30.300 0.151 0.000 0.885 43 R HN 0.261 nan 8.270 nan 0.000 0.467 44 N N -0.081 118.656 118.700 0.062 0.000 2.412 44 N HA -0.018 4.717 4.740 -0.008 0.000 0.184 44 N C 0.701 176.228 175.510 0.028 0.000 1.101 44 N CA 1.176 54.255 53.050 0.047 0.000 0.881 44 N CB 1.039 39.545 38.487 0.031 0.000 0.969 44 N HN 0.328 nan 8.380 nan 0.000 0.459 45 V N -3.612 116.308 119.914 0.009 0.000 3.382 45 V HA 0.518 4.633 4.120 -0.008 0.000 0.296 45 V C 0.668 176.726 176.094 -0.060 0.000 1.529 45 V CA -0.580 61.709 62.300 -0.017 0.000 1.048 45 V CB -0.127 31.683 31.823 -0.022 0.000 0.878 45 V HN 0.001 nan 8.190 nan 0.000 0.442 46 A N 2.108 124.870 122.820 -0.096 0.000 2.440 46 A HA 0.644 4.959 4.320 -0.008 0.000 0.251 46 A C 0.690 178.072 177.584 -0.338 0.000 1.089 46 A CA 0.782 52.652 52.037 -0.279 0.000 0.779 46 A CB 0.085 18.818 19.000 -0.445 0.000 1.022 46 A HN 0.876 nan 8.150 nan 0.000 0.492 47 T N -0.175 114.176 114.554 -0.338 0.000 2.937 47 T HA 0.589 4.934 4.350 -0.008 0.000 0.283 47 T C -2.154 172.418 174.700 -0.213 0.000 1.012 47 T CA -1.753 60.235 62.100 -0.187 0.000 0.997 47 T CB 1.236 70.057 68.868 -0.078 0.000 1.136 47 T HN 0.227 nan 8.240 nan 0.000 0.551 48 P HA -0.092 nan 4.420 nan 0.000 0.216 48 P C 1.623 179.024 177.300 0.168 0.000 1.150 48 P CA 1.019 64.238 63.100 0.199 0.000 0.843 48 P CB 0.038 31.832 31.700 0.156 0.000 0.787 49 R N -0.043 120.506 120.500 0.082 0.000 2.096 49 R HA -0.143 4.192 4.340 -0.008 0.000 0.235 49 R C 1.631 178.098 176.300 0.278 0.000 1.127 49 R CA 1.781 57.977 56.100 0.160 0.000 0.968 49 R CB -0.698 29.625 30.300 0.037 0.000 0.861 49 R HN 0.091 nan 8.270 nan 0.000 0.440 50 D N -0.310 120.125 120.400 0.059 0.000 2.117 50 D HA -0.182 4.453 4.640 -0.008 0.000 0.197 50 D C 1.690 178.022 176.300 0.053 0.000 0.987 50 D CA 1.275 55.273 54.000 -0.004 0.000 0.829 50 D CB -0.283 40.372 40.800 -0.241 0.000 0.961 50 D HN 0.307 nan 8.370 nan 0.000 0.460 51 Y N 0.049 120.458 120.300 0.182 0.000 2.242 51 Y HA -0.192 4.353 4.550 -0.008 0.000 0.291 51 Y C 2.314 178.358 175.900 0.240 0.000 1.137 51 Y CA 0.240 58.489 58.100 0.248 0.000 1.181 51 Y CB -1.162 37.503 38.460 0.342 0.000 0.989 51 Y HN 0.083 nan 8.280 nan 0.000 0.527 52 Y N -0.418 120.039 120.300 0.262 0.000 2.128 52 Y HA -0.290 4.255 4.550 -0.009 0.000 0.284 52 Y C 1.995 177.882 175.900 -0.020 0.000 1.154 52 Y CA 1.315 59.468 58.100 0.089 0.000 1.149 52 Y CB -1.177 37.242 38.460 -0.068 0.000 0.976 52 Y HN 0.040 nan 8.280 nan 0.000 0.505 53 F N 0.286 120.020 119.950 -0.360 0.000 2.171 53 F HA -0.153 4.369 4.527 -0.008 0.000 0.300 53 F C 2.638 178.269 175.800 -0.281 0.000 1.090 53 F CA 1.400 59.121 58.000 -0.465 0.000 1.293 53 F CB -0.824 38.092 39.000 -0.141 0.000 1.013 53 F HN 0.215 nan 8.300 nan 0.000 0.486 54 A N -0.295 122.492 122.820 -0.055 0.000 1.930 54 A HA -0.161 4.154 4.320 -0.008 0.000 0.217 54 A C 2.051 179.549 177.584 -0.144 0.000 1.175 54 A CA 1.458 53.352 52.037 -0.238 0.000 0.627 54 A CB -0.949 17.579 19.000 -0.788 0.000 0.815 54 A HN 0.343 nan 8.150 nan 0.000 0.443 55 L N -0.252 121.002 121.223 0.050 0.000 2.056 55 L HA 0.004 4.339 4.340 -0.008 0.000 0.207 55 L C 2.649 179.513 176.870 -0.009 0.000 1.078 55 L CA 2.105 57.086 54.840 0.233 0.000 0.749 55 L CB -0.917 41.325 42.059 0.306 0.000 0.901 55 L HN 0.332 nan 8.230 nan 0.000 0.433 56 A N -1.156 121.465 122.820 -0.331 0.000 1.883 56 A HA -0.282 4.033 4.320 -0.008 0.000 0.217 56 A C 2.146 179.386 177.584 -0.574 0.000 1.186 56 A CA 2.031 53.749 52.037 -0.532 0.000 0.624 56 A CB -1.123 17.201 19.000 -1.128 0.000 0.822 56 A HN 0.679 nan 8.150 nan 0.000 0.444 57 H N -0.901 117.864 119.070 -0.508 0.000 2.421 57 H HA -0.054 4.497 4.556 -0.008 0.000 0.298 57 H C 2.315 177.379 175.328 -0.440 0.000 1.087 57 H CA 1.855 57.530 56.048 -0.621 0.000 1.330 57 H CB -0.117 29.019 29.762 -1.043 0.000 1.388 57 H HN 0.463 nan 8.280 nan 0.000 0.526 58 T N -0.313 114.189 114.554 -0.085 0.000 2.708 58 T HA -0.130 4.215 4.350 -0.008 0.000 0.266 58 T C 2.244 177.084 174.700 0.233 0.000 1.037 58 T CA 1.340 63.557 62.100 0.195 0.000 1.146 58 T CB -0.343 68.714 68.868 0.315 0.000 0.865 58 T HN 0.103 nan 8.240 nan 0.000 0.435 59 V N 1.536 121.581 119.914 0.219 0.000 2.427 59 V HA -0.108 4.007 4.120 -0.008 0.000 0.248 59 V C 2.593 178.867 176.094 0.300 0.000 1.051 59 V CA 1.552 64.039 62.300 0.311 0.000 1.048 59 V CB -0.636 31.367 31.823 0.300 0.000 0.666 59 V HN 0.373 nan 8.190 nan 0.000 0.456 60 R N 0.327 120.951 120.500 0.207 0.000 2.091 60 R HA -0.226 4.109 4.340 -0.008 0.000 0.238 60 R C 1.971 178.366 176.300 0.158 0.000 1.136 60 R CA 2.155 58.373 56.100 0.197 0.000 0.959 60 R CB -0.441 29.837 30.300 -0.037 0.000 0.856 60 R HN 0.457 nan 8.270 nan 0.000 0.437 61 D N -0.091 120.372 120.400 0.106 0.000 2.158 61 D HA -0.183 4.452 4.640 -0.008 0.000 0.197 61 D C 1.750 178.043 176.300 -0.012 0.000 0.995 61 D CA 1.171 55.198 54.000 0.045 0.000 0.846 61 D CB -0.380 40.421 40.800 0.002 0.000 0.941 61 D HN 0.448 nan 8.370 nan 0.000 0.456 62 H N -0.298 118.841 119.070 0.115 0.000 2.491 62 H HA 0.043 4.594 4.556 -0.008 0.000 0.290 62 H C 2.251 177.624 175.328 0.075 0.000 1.050 62 H CA 0.411 56.509 56.048 0.084 0.000 1.309 62 H CB 0.187 29.990 29.762 0.069 0.000 1.392 62 H HN 0.216 nan 8.280 nan 0.000 0.554 63 L N -0.281 121.054 121.223 0.187 0.000 2.162 63 L HA -0.096 4.239 4.340 -0.008 0.000 0.205 63 L C 2.535 179.517 176.870 0.187 0.000 1.086 63 L CA 0.198 55.116 54.840 0.129 0.000 0.778 63 L CB -0.129 41.972 42.059 0.070 0.000 0.928 63 L HN 0.013 nan 8.230 nan 0.000 0.446 64 V N 0.507 120.553 119.914 0.220 0.000 2.231 64 V HA -0.327 3.788 4.120 -0.008 0.000 0.250 64 V C 2.637 178.848 176.094 0.194 0.000 1.058 64 V CA 2.309 64.766 62.300 0.261 0.000 1.022 64 V CB -1.540 30.389 31.823 0.176 0.000 0.640 64 V HN 0.593 nan 8.190 nan 0.000 0.445 65 G N -0.395 108.477 108.800 0.120 0.000 2.476 65 G HA2 -0.274 3.681 3.960 -0.008 0.000 0.218 65 G HA3 -0.274 3.681 3.960 -0.008 0.000 0.218 65 G C 1.721 176.673 174.900 0.086 0.000 1.164 65 G CA 1.037 46.185 45.100 0.080 0.000 0.768 65 G HN 0.491 nan 8.290 nan 0.000 0.560 66 R N -1.459 119.102 120.500 0.101 0.000 2.075 66 R HA -0.078 4.257 4.340 -0.008 0.000 0.232 66 R C 2.289 178.673 176.300 0.140 0.000 1.126 66 R CA 1.180 57.327 56.100 0.078 0.000 0.963 66 R CB -0.391 29.940 30.300 0.051 0.000 0.858 66 R HN 0.482 nan 8.270 nan 0.000 0.435 67 W N 1.756 123.039 121.300 -0.029 0.000 2.355 67 W HA -0.074 4.581 4.660 -0.008 0.000 0.309 67 W C 1.742 178.232 176.519 -0.048 0.000 1.206 67 W CA 0.884 58.206 57.345 -0.038 0.000 1.284 67 W CB -0.589 28.868 29.460 -0.005 0.000 1.145 67 W HN -0.044 nan 8.180 nan 0.000 0.502 68 I N 1.053 121.680 120.570 0.095 0.000 2.179 68 I HA -0.347 3.818 4.170 -0.008 0.000 0.242 68 I C 2.642 178.737 176.117 -0.036 0.000 1.088 68 I CA 2.024 63.290 61.300 -0.056 0.000 1.357 68 I CB -0.581 37.395 38.000 -0.040 0.000 1.051 68 I HN 0.001 nan 8.210 nan 0.000 0.409 69 R N 0.073 120.570 120.500 -0.005 0.000 2.153 69 R HA -0.026 4.309 4.340 -0.008 0.000 0.218 69 R C 1.959 178.225 176.300 -0.057 0.000 1.072 69 R CA 1.364 57.453 56.100 -0.018 0.000 0.990 69 R CB -1.114 29.177 30.300 -0.015 0.000 0.889 69 R HN 0.176 nan 8.270 nan 0.000 0.452 70 T N 1.702 116.202 114.554 -0.090 0.000 2.674 70 T HA -0.106 4.239 4.350 -0.008 0.000 0.265 70 T C 1.831 176.253 174.700 -0.463 0.000 1.039 70 T CA 1.371 63.312 62.100 -0.264 0.000 1.150 70 T CB -0.113 68.639 68.868 -0.194 0.000 0.864 70 T HN 0.237 nan 8.240 nan 0.000 0.427 71 Q N 0.810 120.470 119.800 -0.233 0.000 2.124 71 Q HA -0.097 4.238 4.340 -0.008 0.000 0.202 71 Q C 2.346 178.335 176.000 -0.019 0.000 0.977 71 Q CA 1.272 57.001 55.803 -0.124 0.000 0.850 71 Q CB -0.525 28.180 28.738 -0.055 0.000 0.901 71 Q HN 0.494 nan 8.270 nan 0.000 0.429 72 Q N 0.273 120.063 119.800 -0.016 0.000 2.084 72 Q HA -0.190 4.145 4.340 -0.008 0.000 0.202 72 Q C 1.905 177.990 176.000 0.142 0.000 0.978 72 Q CA 1.942 57.787 55.803 0.071 0.000 0.844 72 Q CB -0.424 28.340 28.738 0.042 0.000 0.898 72 Q HN 0.540 nan 8.270 nan 0.000 0.426 73 H N -0.818 118.225 119.070 -0.046 0.000 2.319 73 H HA -0.174 4.377 4.556 -0.008 0.000 0.299 73 H C 1.180 176.580 175.328 0.121 0.000 1.092 73 H CA 2.270 58.308 56.048 -0.017 0.000 1.302 73 H CB -0.389 29.301 29.762 -0.120 0.000 1.373 73 H HN 0.361 nan 8.280 nan 0.000 0.497 74 Y N -0.971 119.345 120.300 0.026 0.000 2.274 74 Y HA -0.196 4.349 4.550 -0.009 0.000 0.290 74 Y C 2.425 178.337 175.900 0.019 0.000 1.145 74 Y CA 1.032 59.114 58.100 -0.028 0.000 1.203 74 Y CB -1.349 37.159 38.460 0.080 0.000 0.984 74 Y HN 0.370 nan 8.280 nan 0.000 0.533 75 Y N 1.239 121.607 120.300 0.114 0.000 2.242 75 Y HA -0.163 4.381 4.550 -0.008 0.000 0.291 75 Y C 2.046 177.951 175.900 0.008 0.000 1.137 75 Y CA 1.518 59.652 58.100 0.057 0.000 1.181 75 Y CB -0.097 38.388 38.460 0.041 0.000 0.989 75 Y HN 0.075 nan 8.280 nan 0.000 0.527 76 E N 0.407 120.572 120.200 -0.058 0.000 2.008 76 E HA -0.211 4.134 4.350 -0.008 0.000 0.191 76 E C 2.137 178.630 176.600 -0.178 0.000 0.986 76 E CA 1.265 57.576 56.400 -0.148 0.000 0.807 76 E CB -0.462 29.223 29.700 -0.026 0.000 0.766 76 E HN 0.387 nan 8.360 nan 0.000 0.450 77 K N 0.939 121.216 120.400 -0.205 0.000 2.211 77 K HA -0.166 4.149 4.320 -0.008 0.000 0.203 77 K C -0.039 176.485 176.600 -0.127 0.000 1.050 77 K CA 0.979 57.154 56.287 -0.186 0.000 0.945 77 K CB -0.006 32.306 32.500 -0.312 0.000 0.732 77 K HN -0.011 nan 8.250 nan 0.000 0.451 78 D N 0.385 120.721 120.400 -0.108 0.000 2.697 78 D HA -0.110 4.525 4.640 -0.008 0.000 0.238 78 D C -2.407 173.857 176.300 -0.060 0.000 1.152 78 D CA 0.254 54.209 54.000 -0.076 0.000 0.666 78 D CB -0.128 40.603 40.800 -0.115 0.000 1.037 78 D HN 0.253 nan 8.370 nan 0.000 0.423 79 P HA 0.097 nan 4.420 nan 0.000 0.277 79 P C -0.154 177.102 177.300 -0.073 0.000 1.271 79 P CA -0.609 62.447 63.100 -0.074 0.000 0.795 79 P CB 0.640 32.278 31.700 -0.104 0.000 1.101 80 K N 1.018 121.381 120.400 -0.062 0.000 2.412 80 K HA 0.082 4.397 4.320 -0.008 0.000 0.281 80 K C -0.091 176.440 176.600 -0.114 0.000 1.027 80 K CA -0.079 56.173 56.287 -0.058 0.000 0.989 80 K CB 0.233 32.715 32.500 -0.029 0.000 0.935 80 K HN 0.247 nan 8.250 nan 0.000 0.475 81 R N 3.660 124.094 120.500 -0.109 0.000 2.312 81 R HA 0.347 4.682 4.340 -0.008 0.000 0.311 81 R C -0.572 175.539 176.300 -0.315 0.000 1.004 81 R CA -0.472 55.505 56.100 -0.204 0.000 0.902 81 R CB 0.850 31.058 30.300 -0.153 0.000 1.073 81 R HN 0.503 nan 8.270 nan 0.000 0.457 82 I N 4.553 124.866 120.570 -0.429 0.000 2.321 82 I HA 0.210 4.375 4.170 -0.008 0.000 0.291 82 I C -0.629 175.224 176.117 -0.441 0.000 0.998 82 I CA -0.741 60.251 61.300 -0.514 0.000 1.227 82 I CB 0.875 38.431 38.000 -0.739 0.000 1.368 82 I HN 0.545 nan 8.210 nan 0.000 0.466 83 Y N 5.996 126.254 120.300 -0.069 0.000 2.356 83 Y HA 0.284 4.829 4.550 -0.008 0.000 0.334 83 Y C -0.301 175.686 175.900 0.146 0.000 0.958 83 Y CA -0.656 57.519 58.100 0.126 0.000 1.196 83 Y CB 1.249 39.733 38.460 0.039 0.000 1.137 83 Y HN 0.396 nan 8.280 nan 0.000 0.485 84 Y N 4.610 125.081 120.300 0.284 0.000 2.454 84 Y HA 0.474 5.019 4.550 -0.008 0.000 0.345 84 Y C -1.248 174.910 175.900 0.429 0.000 0.970 84 Y CA -0.939 57.340 58.100 0.299 0.000 1.204 84 Y CB 0.309 38.953 38.460 0.306 0.000 1.122 84 Y HN 0.511 nan 8.280 nan 0.000 0.514 85 L N 5.053 126.329 121.223 0.088 0.000 2.265 85 L HA 0.481 4.816 4.340 -0.008 0.000 0.288 85 L C -0.193 176.707 176.870 0.050 0.000 1.058 85 L CA 0.150 55.101 54.840 0.185 0.000 0.809 85 L CB 1.308 43.441 42.059 0.122 0.000 1.179 85 L HN 0.576 nan 8.230 nan 0.000 0.429 86 S N 2.450 118.261 115.700 0.186 0.000 2.541 86 S HA 0.510 4.975 4.470 -0.008 0.000 0.271 86 S C 0.204 174.894 174.600 0.150 0.000 1.133 86 S CA -0.516 57.694 58.200 0.017 0.000 0.876 86 S CB 1.041 64.034 63.200 -0.346 0.000 1.105 86 S HN 0.443 nan 8.310 nan 0.000 0.470 87 L N 2.755 124.102 121.223 0.206 0.000 2.591 87 L HA 0.453 4.787 4.340 -0.008 0.000 0.228 87 L C 0.351 177.418 176.870 0.328 0.000 1.133 87 L CA 1.016 56.042 54.840 0.311 0.000 0.880 87 L CB -0.179 42.082 42.059 0.338 0.000 1.033 87 L HN 0.652 nan 8.230 nan 0.000 0.450 88 E N -1.254 119.015 120.200 0.116 0.000 2.292 88 E HA 0.418 4.763 4.350 -0.008 0.000 0.272 88 E C -1.376 175.107 176.600 -0.195 0.000 0.881 88 E CA -0.427 56.025 56.400 0.086 0.000 0.754 88 E CB 1.904 31.638 29.700 0.058 0.000 1.201 88 E HN -0.161 nan 8.360 nan 0.000 0.425 89 F N 2.200 122.254 119.950 0.173 0.000 2.902 89 F HA 0.165 4.686 4.527 -0.009 0.000 0.368 89 F C -0.895 174.987 175.800 0.137 0.000 1.202 89 F CA -0.763 57.325 58.000 0.148 0.000 1.109 89 F CB 0.976 40.053 39.000 0.129 0.000 1.418 89 F HN 0.490 nan 8.300 nan 0.000 0.527 90 Y N 5.271 125.644 120.300 0.121 0.000 2.632 90 Y HA 0.203 4.749 4.550 -0.008 0.000 0.336 90 Y C 1.020 176.941 175.900 0.034 0.000 1.237 90 Y CA -1.019 57.105 58.100 0.040 0.000 1.595 90 Y CB 0.306 38.770 38.460 0.007 0.000 1.508 90 Y HN 0.535 nan 8.280 nan 0.000 0.480 91 M N 1.477 121.225 119.600 0.247 0.000 2.288 91 M HA 0.102 4.577 4.480 -0.008 0.000 0.266 91 M C 1.554 177.843 176.300 -0.017 0.000 1.072 91 M CA 1.092 56.440 55.300 0.080 0.000 1.132 91 M CB -1.286 31.332 32.600 0.030 0.000 1.386 91 M HN 0.675 nan 8.290 nan 0.000 0.432 92 G N 1.188 109.996 108.800 0.013 0.000 2.598 92 G HA2 -0.264 3.691 3.960 -0.008 0.000 0.244 92 G HA3 -0.264 3.691 3.960 -0.008 0.000 0.244 92 G C -0.285 174.579 174.900 -0.061 0.000 1.302 92 G CA -0.354 44.709 45.100 -0.062 0.000 0.903 92 G HN 0.443 nan 8.290 nan 0.000 0.575 93 R N -0.800 119.644 120.500 -0.094 0.000 2.615 93 R HA 0.551 4.886 4.340 -0.008 0.000 0.270 93 R C 1.056 177.243 176.300 -0.188 0.000 1.081 93 R CA 0.319 56.371 56.100 -0.080 0.000 1.154 93 R CB 0.601 30.861 30.300 -0.067 0.000 1.063 93 R HN 0.535 nan 8.270 nan 0.000 0.519 94 T N 0.996 115.384 114.554 -0.277 0.000 2.969 94 T HA -0.008 4.337 4.350 -0.008 0.000 0.250 94 T C 1.464 175.759 174.700 -0.676 0.000 1.021 94 T CA -0.165 61.559 62.100 -0.628 0.000 1.003 94 T CB 0.137 68.254 68.868 -1.253 0.000 1.040 94 T HN 0.325 nan 8.240 nan 0.000 0.492 95 L N 1.985 123.026 121.223 -0.303 0.000 1.955 95 L HA -0.062 4.273 4.340 -0.008 0.000 0.213 95 L C 2.464 179.289 176.870 -0.075 0.000 1.072 95 L CA 2.038 56.856 54.840 -0.036 0.000 0.755 95 L CB -0.684 41.578 42.059 0.338 0.000 0.888 95 L HN 0.177 nan 8.230 nan 0.000 0.432 96 Q N -0.773 118.990 119.800 -0.062 0.000 2.124 96 Q HA -0.254 4.081 4.340 -0.008 0.000 0.202 96 Q C 2.221 178.149 176.000 -0.119 0.000 0.977 96 Q CA 1.829 57.591 55.803 -0.068 0.000 0.850 96 Q CB -0.324 28.372 28.738 -0.069 0.000 0.901 96 Q HN 0.715 nan 8.270 nan 0.000 0.429 97 N N -0.952 117.637 118.700 -0.185 0.000 2.166 97 N HA -0.143 4.592 4.740 -0.008 0.000 0.186 97 N C 1.315 176.717 175.510 -0.180 0.000 1.019 97 N CA 1.753 54.685 53.050 -0.197 0.000 0.856 97 N CB 0.071 38.407 38.487 -0.251 0.000 0.993 97 N HN 0.207 nan 8.380 nan 0.000 0.426 98 T N 1.232 115.644 114.554 -0.237 0.000 2.777 98 T HA -0.027 4.318 4.350 -0.008 0.000 0.266 98 T C 2.067 176.706 174.700 -0.103 0.000 1.040 98 T CA 0.968 62.946 62.100 -0.202 0.000 1.141 98 T CB -0.033 68.666 68.868 -0.282 0.000 0.868 98 T HN 0.261 nan 8.240 nan 0.000 0.444 99 M N 0.606 120.162 119.600 -0.073 0.000 2.086 99 M HA -0.085 4.390 4.480 -0.008 0.000 0.261 99 M C 2.487 178.757 176.300 -0.051 0.000 1.067 99 M CA 1.268 56.542 55.300 -0.043 0.000 1.116 99 M CB -0.695 31.895 32.600 -0.017 0.000 1.348 99 M HN 0.098 nan 8.290 nan 0.000 0.407 100 V N 1.067 120.956 119.914 -0.043 0.000 2.287 100 V HA -0.286 3.829 4.120 -0.008 0.000 0.248 100 V C 1.815 177.922 176.094 0.022 0.000 1.053 100 V CA 2.016 64.316 62.300 -0.001 0.000 1.027 100 V CB -0.925 30.898 31.823 -0.000 0.000 0.646 100 V HN 0.476 nan 8.190 nan 0.000 0.447 101 N N -0.404 118.295 118.700 -0.001 0.000 2.459 101 N HA -0.044 4.691 4.740 -0.008 0.000 0.181 101 N C 1.095 176.515 175.510 -0.149 0.000 1.046 101 N CA 0.755 53.789 53.050 -0.026 0.000 0.904 101 N CB -0.115 38.362 38.487 -0.016 0.000 0.964 101 N HN 0.301 nan 8.380 nan 0.000 0.444 102 L N -0.324 120.827 121.223 -0.121 0.000 2.640 102 L HA 0.401 4.736 4.340 -0.008 0.000 0.230 102 L C 0.597 177.380 176.870 -0.145 0.000 1.123 102 L CA -0.181 54.582 54.840 -0.128 0.000 0.900 102 L CB -0.617 41.388 42.059 -0.090 0.000 1.146 102 L HN 0.087 nan 8.230 nan 0.000 0.484 103 A N -0.498 122.238 122.820 -0.140 0.000 2.846 103 A HA -0.210 4.105 4.320 -0.008 0.000 0.287 103 A C 0.947 178.470 177.584 -0.101 0.000 1.469 103 A CA 0.898 52.863 52.037 -0.120 0.000 0.757 103 A CB -1.977 16.936 19.000 -0.145 0.000 1.033 103 A HN 0.211 nan 8.150 nan 0.000 0.516 104 L N -0.851 120.316 121.223 -0.094 0.000 2.766 104 L HA 0.273 4.608 4.340 -0.008 0.000 0.242 104 L C 1.756 178.595 176.870 -0.051 0.000 1.136 104 L CA 1.371 56.155 54.840 -0.094 0.000 0.933 104 L CB -0.111 41.870 42.059 -0.131 0.000 1.241 104 L HN 0.607 nan 8.230 nan 0.000 0.522 105 E N -0.036 120.141 120.200 -0.038 0.000 2.038 105 E HA -0.238 4.107 4.350 -0.008 0.000 0.195 105 E C 1.593 178.183 176.600 -0.017 0.000 1.000 105 E CA 1.523 57.911 56.400 -0.020 0.000 0.803 105 E CB 0.235 29.925 29.700 -0.017 0.000 0.750 105 E HN 0.409 nan 8.360 nan 0.000 0.448 106 N N 0.037 118.724 118.700 -0.023 0.000 2.120 106 N HA -0.139 4.596 4.740 -0.008 0.000 0.188 106 N C 1.591 177.089 175.510 -0.020 0.000 1.024 106 N CA 1.221 54.257 53.050 -0.023 0.000 0.852 106 N CB -0.375 38.097 38.487 -0.025 0.000 1.003 106 N HN 0.227 nan 8.380 nan 0.000 0.424 107 A N 0.512 123.318 122.820 -0.024 0.000 1.877 107 A HA -0.153 4.162 4.320 -0.008 0.000 0.216 107 A C 2.682 180.262 177.584 -0.006 0.000 1.186 107 A CA 1.398 53.424 52.037 -0.018 0.000 0.620 107 A CB -1.029 17.950 19.000 -0.035 0.000 0.822 107 A HN 0.445 nan 8.150 nan 0.000 0.443 108 C N -0.813 118.485 119.300 -0.004 0.000 2.435 108 C HA -0.061 4.394 4.460 -0.008 0.000 0.279 108 C C 2.453 177.447 174.990 0.005 0.000 1.321 108 C CA 1.130 60.155 59.018 0.012 0.000 1.752 108 C CB -1.130 26.631 27.740 0.034 0.000 1.959 108 C HN 0.716 nan 8.230 nan 0.000 0.500 109 D N 0.718 121.121 120.400 0.005 0.000 2.117 109 D HA -0.139 4.496 4.640 -0.008 0.000 0.197 109 D C 2.123 178.440 176.300 0.028 0.000 0.987 109 D CA 1.451 55.456 54.000 0.008 0.000 0.829 109 D CB -0.196 40.598 40.800 -0.010 0.000 0.961 109 D HN 0.489 nan 8.370 nan 0.000 0.460 110 E N 0.092 120.305 120.200 0.021 0.000 2.046 110 E HA 0.003 4.348 4.350 -0.008 0.000 0.190 110 E C 1.906 178.544 176.600 0.064 0.000 0.982 110 E CA 1.461 57.897 56.400 0.060 0.000 0.800 110 E CB -0.556 29.162 29.700 0.030 0.000 0.756 110 E HN 0.197 nan 8.360 nan 0.000 0.449 111 A N 0.039 122.862 122.820 0.006 0.000 1.883 111 A HA -0.239 4.076 4.320 -0.008 0.000 0.217 111 A C 2.505 180.012 177.584 -0.130 0.000 1.186 111 A CA 2.999 55.009 52.037 -0.045 0.000 0.624 111 A CB -1.554 17.423 19.000 -0.038 0.000 0.822 111 A HN 0.527 nan 8.150 nan 0.000 0.444 112 T N -3.650 110.822 114.554 -0.137 0.000 2.821 112 T HA -0.219 4.126 4.350 -0.008 0.000 0.267 112 T C 1.859 176.477 174.700 -0.135 0.000 1.046 112 T CA 1.534 63.495 62.100 -0.231 0.000 1.139 112 T CB -0.613 68.162 68.868 -0.155 0.000 0.871 112 T HN 0.460 nan 8.240 nan 0.000 0.454 113 Y N 2.240 122.462 120.300 -0.131 0.000 2.165 113 Y HA -0.114 4.431 4.550 -0.008 0.000 0.286 113 Y C 2.601 178.441 175.900 -0.100 0.000 1.155 113 Y CA 1.540 59.582 58.100 -0.096 0.000 1.164 113 Y CB -0.601 37.821 38.460 -0.063 0.000 0.978 113 Y HN 0.263 nan 8.280 nan 0.000 0.513 114 Q N -1.012 118.678 119.800 -0.184 0.000 2.291 114 Q HA -0.116 4.219 4.340 -0.008 0.000 0.205 114 Q C 1.447 177.297 176.000 -0.250 0.000 0.970 114 Q CA 0.855 56.513 55.803 -0.241 0.000 0.876 114 Q CB -0.057 28.627 28.738 -0.091 0.000 0.935 114 Q HN 0.350 nan 8.270 nan 0.000 0.455 115 L N -1.008 120.057 121.223 -0.262 0.000 2.591 115 L HA 0.152 4.487 4.340 -0.008 0.000 0.228 115 L C 1.108 177.815 176.870 -0.273 0.000 1.133 115 L CA 1.148 55.828 54.840 -0.268 0.000 0.880 115 L CB -0.262 41.559 42.059 -0.396 0.000 1.033 115 L HN 0.297 nan 8.230 nan 0.000 0.450 116 G N -0.235 108.386 108.800 -0.298 0.000 2.149 116 G HA2 -0.239 3.716 3.960 -0.008 0.000 0.235 116 G HA3 -0.239 3.716 3.960 -0.008 0.000 0.235 116 G C 0.063 174.840 174.900 -0.206 0.000 1.018 116 G CA 0.267 45.213 45.100 -0.257 0.000 0.728 116 G HN 0.280 nan 8.290 nan 0.000 0.508 117 L N -0.376 120.723 121.223 -0.207 0.000 2.341 117 L HA 0.659 4.993 4.340 -0.008 0.000 0.267 117 L C -0.606 176.245 176.870 -0.031 0.000 1.009 117 L CA -1.190 53.561 54.840 -0.148 0.000 0.819 117 L CB 1.895 43.804 42.059 -0.250 0.000 1.323 117 L HN 0.088 nan 8.230 nan 0.000 0.425 118 D N 1.723 122.133 120.400 0.016 0.000 2.427 118 D HA 0.199 4.834 4.640 -0.008 0.000 0.226 118 D C 0.608 176.943 176.300 0.059 0.000 1.076 118 D CA -0.328 53.706 54.000 0.056 0.000 0.849 118 D CB 1.548 42.386 40.800 0.062 0.000 1.052 118 D HN 0.506 nan 8.370 nan 0.000 0.515 119 M N 2.990 122.623 119.600 0.055 0.000 2.202 119 M HA -0.155 4.320 4.480 -0.008 0.000 0.262 119 M C 1.333 177.677 176.300 0.075 0.000 1.063 119 M CA 1.581 56.922 55.300 0.067 0.000 1.097 119 M CB 0.208 32.839 32.600 0.052 0.000 1.382 119 M HN 0.431 nan 8.290 nan 0.000 0.413 120 E N -0.266 119.969 120.200 0.058 0.000 2.110 120 E HA -0.252 4.093 4.350 -0.008 0.000 0.193 120 E C 1.851 178.487 176.600 0.061 0.000 0.988 120 E CA 1.376 57.808 56.400 0.053 0.000 0.804 120 E CB -0.104 29.624 29.700 0.046 0.000 0.745 120 E HN 0.625 nan 8.360 nan 0.000 0.458 121 E N 0.287 120.528 120.200 0.068 0.000 2.106 121 E HA -0.194 4.151 4.350 -0.008 0.000 0.192 121 E C 1.871 178.519 176.600 0.080 0.000 0.984 121 E CA 0.584 57.026 56.400 0.070 0.000 0.806 121 E CB 0.186 29.931 29.700 0.075 0.000 0.750 121 E HN 0.082 nan 8.360 nan 0.000 0.458 122 L N 1.373 122.666 121.223 0.116 0.000 2.093 122 L HA -0.124 4.211 4.340 -0.008 0.000 0.208 122 L C 2.035 178.976 176.870 0.119 0.000 1.085 122 L CA 1.600 56.544 54.840 0.173 0.000 0.755 122 L CB -0.579 41.633 42.059 0.256 0.000 0.904 122 L HN 0.127 nan 8.230 nan 0.000 0.435 123 E N -0.613 119.646 120.200 0.097 0.000 2.153 123 E HA -0.194 4.151 4.350 -0.008 0.000 0.194 123 E C 1.741 178.308 176.600 -0.055 0.000 0.988 123 E CA 0.787 57.215 56.400 0.048 0.000 0.811 123 E CB -0.044 29.687 29.700 0.051 0.000 0.746 123 E HN 0.429 nan 8.360 nan 0.000 0.466 124 E N 0.356 120.538 120.200 -0.030 0.000 2.409 124 E HA -0.095 4.250 4.350 -0.008 0.000 0.198 124 E C 1.849 178.388 176.600 -0.102 0.000 1.024 124 E CA 0.504 56.883 56.400 -0.034 0.000 0.861 124 E CB 0.071 29.785 29.700 0.022 0.000 0.788 124 E HN 0.431 nan 8.360 nan 0.000 0.521 125 I N 0.672 121.117 120.570 -0.209 0.000 2.584 125 I HA -0.090 4.075 4.170 -0.008 0.000 0.255 125 I C 1.388 177.203 176.117 -0.502 0.000 1.145 125 I CA 0.166 61.278 61.300 -0.312 0.000 1.462 125 I CB 0.068 37.881 38.000 -0.311 0.000 1.102 125 I HN -0.014 nan 8.210 nan 0.000 0.433 126 E N 2.621 122.380 120.200 -0.734 0.000 2.414 126 E HA -0.045 4.300 4.350 -0.008 0.000 0.263 126 E C -0.190 176.319 176.600 -0.150 0.000 1.000 126 E CA -0.128 55.916 56.400 -0.594 0.000 0.914 126 E CB 0.669 30.147 29.700 -0.369 0.000 0.948 126 E HN 0.092 nan 8.360 nan 0.000 0.444 127 E N 3.046 123.258 120.200 0.019 0.000 2.349 127 E HA 0.109 4.454 4.350 -0.008 0.000 0.265 127 E C -0.818 175.886 176.600 0.173 0.000 1.064 127 E CA -0.301 56.189 56.400 0.151 0.000 0.886 127 E CB 0.769 30.647 29.700 0.297 0.000 1.036 127 E HN 0.475 nan 8.360 nan 0.000 0.413 128 D N 0.235 120.719 120.400 0.141 0.000 2.304 128 D HA 0.277 4.912 4.640 -0.008 0.000 0.247 128 D C -0.551 175.787 176.300 0.064 0.000 1.089 128 D CA -0.143 53.912 54.000 0.091 0.000 0.910 128 D CB 0.902 41.745 40.800 0.070 0.000 1.199 128 D HN 0.367 nan 8.370 nan 0.000 0.426 129 A N 1.875 124.681 122.820 -0.022 0.000 2.650 129 A HA 0.498 4.813 4.320 -0.008 0.000 0.320 129 A C 0.856 178.273 177.584 -0.278 0.000 1.466 129 A CA -0.523 51.291 52.037 -0.371 0.000 1.099 129 A CB -0.263 18.610 19.000 -0.212 0.000 1.136 129 A HN 0.498 nan 8.150 nan 0.000 0.532 130 G N 1.989 110.570 108.800 -0.364 0.000 3.636 130 G HA2 0.427 4.382 3.960 -0.008 0.000 0.260 130 G HA3 0.427 4.382 3.960 -0.008 0.000 0.260 130 G C 0.257 174.875 174.900 -0.471 0.000 1.014 130 G CA -0.291 44.636 45.100 -0.289 0.000 1.797 130 G HN 0.686 nan 8.290 nan 0.000 0.637 131 L N 1.516 122.543 121.223 -0.327 0.000 2.939 131 L HA 0.397 4.732 4.340 -0.008 0.000 0.239 131 L C 1.020 177.830 176.870 -0.100 0.000 1.325 131 L CA -0.244 54.532 54.840 -0.107 0.000 1.170 131 L CB -0.305 41.821 42.059 0.113 0.000 1.538 131 L HN 0.353 nan 8.230 nan 0.000 0.452 132 G N -1.266 107.249 108.800 -0.475 0.000 2.623 132 G HA2 0.192 4.147 3.960 -0.008 0.000 0.290 132 G HA3 0.192 4.147 3.960 -0.008 0.000 0.290 132 G C -0.165 174.369 174.900 -0.610 0.000 1.437 132 G CA -0.455 44.395 45.100 -0.416 0.000 0.798 132 G HN -0.084 nan 8.290 nan 0.000 0.488 133 N N -0.771 117.790 118.700 -0.233 0.000 2.387 133 N HA 0.205 4.940 4.740 -0.008 0.000 0.176 133 N C 1.184 176.740 175.510 0.078 0.000 1.022 133 N CA 1.366 54.355 53.050 -0.103 0.000 0.883 133 N CB 1.134 39.638 38.487 0.029 0.000 1.019 133 N HN 0.841 nan 8.380 nan 0.000 0.435 134 G N -0.740 108.171 108.800 0.185 0.000 2.825 134 G HA2 0.193 4.148 3.960 -0.008 0.000 0.100 134 G HA3 0.193 4.148 3.960 -0.008 0.000 0.100 134 G C 0.765 175.774 174.900 0.181 0.000 1.195 134 G CA 0.234 45.492 45.100 0.263 0.000 1.317 134 G HN 0.163 nan 8.290 nan 0.000 0.632 135 G N 0.487 109.339 108.800 0.087 0.000 2.491 135 G HA2 -0.144 3.811 3.960 -0.008 0.000 0.218 135 G HA3 -0.144 3.811 3.960 -0.008 0.000 0.218 135 G C 1.900 176.773 174.900 -0.044 0.000 1.180 135 G CA 1.590 46.696 45.100 0.011 0.000 0.774 135 G HN 0.834 nan 8.290 nan 0.000 0.562 136 L N 0.603 121.773 121.223 -0.089 0.000 2.046 136 L HA 0.072 4.407 4.340 -0.008 0.000 0.208 136 L C 2.832 179.620 176.870 -0.137 0.000 1.077 136 L CA 2.007 56.704 54.840 -0.239 0.000 0.747 136 L CB -0.552 41.315 42.059 -0.320 0.000 0.896 136 L HN 0.251 nan 8.230 nan 0.000 0.432 137 G N -0.724 108.064 108.800 -0.019 0.000 2.403 137 G HA2 -0.286 3.669 3.960 -0.008 0.000 0.216 137 G HA3 -0.286 3.669 3.960 -0.008 0.000 0.216 137 G C 1.633 176.592 174.900 0.098 0.000 1.154 137 G CA 0.640 45.759 45.100 0.031 0.000 0.784 137 G HN 0.296 nan 8.290 nan 0.000 0.538 138 R N -0.020 120.553 120.500 0.121 0.000 2.115 138 R HA 0.150 4.485 4.340 -0.008 0.000 0.226 138 R C 2.266 178.552 176.300 -0.023 0.000 1.100 138 R CA 0.711 56.856 56.100 0.075 0.000 0.980 138 R CB -0.810 29.492 30.300 0.004 0.000 0.875 138 R HN 0.322 nan 8.270 nan 0.000 0.445 139 L N 0.189 121.328 121.223 -0.140 0.000 2.046 139 L HA 0.017 4.352 4.340 -0.008 0.000 0.208 139 L C 2.075 178.633 176.870 -0.521 0.000 1.077 139 L CA 2.175 56.787 54.840 -0.380 0.000 0.747 139 L CB -0.872 40.918 42.059 -0.449 0.000 0.896 139 L HN 0.245 nan 8.230 nan 0.000 0.432 140 A N -0.579 122.064 122.820 -0.294 0.000 1.940 140 A HA -0.153 4.162 4.320 -0.008 0.000 0.219 140 A C 2.435 180.053 177.584 0.055 0.000 1.176 140 A CA 1.892 53.815 52.037 -0.189 0.000 0.631 140 A CB -1.129 17.738 19.000 -0.221 0.000 0.814 140 A HN 0.581 nan 8.150 nan 0.000 0.446 141 A N -1.106 121.787 122.820 0.122 0.000 1.873 141 A HA -0.141 4.174 4.320 -0.008 0.000 0.215 141 A C 2.309 179.966 177.584 0.121 0.000 1.186 141 A CA 1.607 53.751 52.037 0.178 0.000 0.616 141 A CB -1.241 17.855 19.000 0.160 0.000 0.823 141 A HN 0.594 nan 8.150 nan 0.000 0.442 142 C N -1.430 117.938 119.300 0.112 0.000 2.425 142 C HA -0.052 4.403 4.460 -0.008 0.000 0.277 142 C C 2.420 177.571 174.990 0.268 0.000 1.280 142 C CA 0.552 59.678 59.018 0.180 0.000 1.744 142 C CB -1.616 26.249 27.740 0.209 0.000 1.989 142 C HN 0.602 nan 8.230 nan 0.000 0.491 143 F N 0.573 120.502 119.950 -0.035 0.000 2.134 143 F HA -0.078 4.444 4.527 -0.009 0.000 0.299 143 F C 2.105 177.847 175.800 -0.097 0.000 1.097 143 F CA 1.044 58.975 58.000 -0.116 0.000 1.264 143 F CB -1.354 37.440 39.000 -0.344 0.000 1.001 143 F HN 0.103 nan 8.300 nan 0.000 0.479 144 L N 0.243 121.542 121.223 0.127 0.000 2.046 144 L HA -0.229 4.106 4.340 -0.008 0.000 0.208 144 L C 2.162 179.045 176.870 0.022 0.000 1.077 144 L CA 1.930 56.800 54.840 0.051 0.000 0.747 144 L CB -1.313 40.775 42.059 0.047 0.000 0.896 144 L HN 0.099 nan 8.230 nan 0.000 0.432 145 D N -1.545 118.877 120.400 0.037 0.000 2.097 145 D HA -0.170 4.465 4.640 -0.008 0.000 0.195 145 D C 2.184 178.501 176.300 0.029 0.000 0.989 145 D CA 1.467 55.475 54.000 0.014 0.000 0.827 145 D CB 0.181 40.988 40.800 0.012 0.000 0.966 145 D HN 0.183 nan 8.370 nan 0.000 0.456 146 S N -0.762 114.971 115.700 0.055 0.000 2.383 146 S HA -0.096 4.369 4.470 -0.008 0.000 0.227 146 S C 1.991 176.604 174.600 0.023 0.000 1.026 146 S CA 0.847 59.071 58.200 0.040 0.000 0.981 146 S CB -0.212 63.014 63.200 0.044 0.000 0.818 146 S HN 0.342 nan 8.310 nan 0.000 0.472 147 M N 0.945 120.553 119.600 0.014 0.000 2.159 147 M HA -0.086 4.389 4.480 -0.008 0.000 0.263 147 M C 2.421 178.726 176.300 0.008 0.000 1.063 147 M CA 1.352 56.658 55.300 0.011 0.000 1.110 147 M CB -0.488 32.103 32.600 -0.014 0.000 1.374 147 M HN 0.392 nan 8.290 nan 0.000 0.411 148 A N -0.268 122.554 122.820 0.002 0.000 1.897 148 A HA -0.108 4.207 4.320 -0.008 0.000 0.215 148 A C 2.164 179.764 177.584 0.027 0.000 1.181 148 A CA 1.932 53.973 52.037 0.006 0.000 0.620 148 A CB -1.002 17.985 19.000 -0.021 0.000 0.821 148 A HN 0.409 nan 8.150 nan 0.000 0.443 149 T N 0.298 114.873 114.554 0.034 0.000 2.867 149 T HA 0.005 4.350 4.350 -0.008 0.000 0.268 149 T C 1.343 176.073 174.700 0.051 0.000 1.057 149 T CA 1.108 63.241 62.100 0.056 0.000 1.136 149 T CB -0.264 68.646 68.868 0.069 0.000 0.874 149 T HN 0.341 nan 8.240 nan 0.000 0.466 150 L N 0.464 121.713 121.223 0.044 0.000 2.629 150 L HA 0.302 4.637 4.340 -0.008 0.000 0.230 150 L C 1.639 178.541 176.870 0.052 0.000 1.151 150 L CA -0.061 54.806 54.840 0.046 0.000 0.924 150 L CB -0.381 41.705 42.059 0.044 0.000 1.137 150 L HN 0.396 nan 8.230 nan 0.000 0.457 151 G N 1.046 109.880 108.800 0.058 0.000 2.249 151 G HA2 -0.286 3.669 3.960 -0.008 0.000 0.273 151 G HA3 -0.286 3.669 3.960 -0.008 0.000 0.273 151 G C 0.125 175.070 174.900 0.075 0.000 1.036 151 G CA 0.034 45.184 45.100 0.084 0.000 0.824 151 G HN 0.281 nan 8.290 nan 0.000 0.504 152 L N -0.163 121.076 121.223 0.027 0.000 2.375 152 L HA 0.609 4.944 4.340 -0.008 0.000 0.271 152 L C 1.205 177.961 176.870 -0.190 0.000 1.107 152 L CA -0.343 54.467 54.840 -0.049 0.000 0.806 152 L CB 1.531 43.577 42.059 -0.022 0.000 1.146 152 L HN 0.257 nan 8.230 nan 0.000 0.447 153 A N 2.935 125.500 122.820 -0.425 0.000 2.990 153 A HA 0.570 4.885 4.320 -0.008 0.000 0.282 153 A C 0.267 177.487 177.584 -0.606 0.000 1.688 153 A CA -0.173 51.308 52.037 -0.927 0.000 1.391 153 A CB -0.626 17.700 19.000 -1.123 0.000 1.112 153 A HN 0.705 nan 8.150 nan 0.000 0.588 154 A N 1.629 124.148 122.820 -0.501 0.000 2.340 154 A HA 0.810 5.125 4.320 -0.008 0.000 0.331 154 A C -1.045 176.248 177.584 -0.486 0.000 1.140 154 A CA -0.465 51.334 52.037 -0.397 0.000 0.801 154 A CB 0.796 19.654 19.000 -0.237 0.000 1.234 154 A HN 0.633 nan 8.150 nan 0.000 0.469 155 Y N 0.121 120.333 120.300 -0.148 0.000 2.406 155 Y HA 0.546 5.091 4.550 -0.008 0.000 0.340 155 Y C 0.793 176.775 175.900 0.137 0.000 0.975 155 Y CA -0.497 57.593 58.100 -0.016 0.000 1.056 155 Y CB 2.485 41.006 38.460 0.101 0.000 1.210 155 Y HN 0.841 nan 8.280 nan 0.000 0.448 156 G N 2.120 111.005 108.800 0.141 0.000 2.332 156 G HA2 0.494 4.449 3.960 -0.008 0.000 0.310 156 G HA3 0.494 4.449 3.960 -0.008 0.000 0.310 156 G C -1.844 173.086 174.900 0.050 0.000 1.123 156 G CA -0.331 44.886 45.100 0.195 0.000 0.873 156 G HN 0.525 nan 8.290 nan 0.000 0.460 157 Y N 0.892 121.424 120.300 0.387 0.000 2.361 157 Y HA 0.636 5.181 4.550 -0.008 0.000 0.337 157 Y C 0.734 176.942 175.900 0.513 0.000 0.965 157 Y CA 0.171 58.464 58.100 0.322 0.000 1.091 157 Y CB 2.734 41.414 38.460 0.366 0.000 1.182 157 Y HN 0.889 nan 8.280 nan 0.000 0.450 158 G N 2.314 111.427 108.800 0.522 0.000 2.753 158 G HA2 0.597 4.552 3.960 -0.008 0.000 0.303 158 G HA3 0.597 4.552 3.960 -0.008 0.000 0.303 158 G C -1.767 173.363 174.900 0.384 0.000 1.242 158 G CA -0.807 44.628 45.100 0.557 0.000 0.810 158 G HN 0.428 nan 8.290 nan 0.000 0.515 159 I N 0.488 121.179 120.570 0.202 0.000 2.474 159 I HA 0.445 4.610 4.170 -0.008 0.000 0.294 159 I C 0.202 176.218 176.117 -0.167 0.000 1.005 159 I CA -0.749 60.570 61.300 0.030 0.000 1.113 159 I CB 2.315 40.180 38.000 -0.224 0.000 1.289 159 I HN 0.369 nan 8.210 nan 0.000 0.436 160 R N 5.899 126.406 120.500 0.012 0.000 2.608 160 R HA 0.242 4.577 4.340 -0.008 0.000 0.277 160 R C -1.296 175.061 176.300 0.095 0.000 1.341 160 R CA -0.443 55.695 56.100 0.063 0.000 1.199 160 R CB -0.019 30.293 30.300 0.019 0.000 1.156 160 R HN 0.392 nan 8.270 nan 0.000 0.558 161 Y N 1.801 122.266 120.300 0.275 0.000 2.526 161 Y HA -0.030 4.515 4.550 -0.009 0.000 0.330 161 Y C 1.345 177.434 175.900 0.316 0.000 1.156 161 Y CA 0.026 58.282 58.100 0.260 0.000 1.419 161 Y CB 0.841 39.431 38.460 0.216 0.000 1.250 161 Y HN 0.552 nan 8.280 nan 0.000 0.540 162 E N 1.953 122.351 120.200 0.330 0.000 2.208 162 E HA -0.063 4.282 4.350 -0.008 0.000 0.193 162 E C -0.718 175.778 176.600 -0.174 0.000 0.988 162 E CA 0.840 57.240 56.400 0.001 0.000 0.828 162 E CB 0.101 29.699 29.700 -0.170 0.000 0.763 162 E HN 0.388 nan 8.360 nan 0.000 0.478 163 F N 0.178 120.356 119.950 0.381 0.000 2.499 163 F HA 0.390 4.912 4.527 -0.008 0.000 0.333 163 F C 0.852 176.748 175.800 0.160 0.000 1.138 163 F CA -0.979 57.198 58.000 0.294 0.000 0.945 163 F CB 1.790 40.890 39.000 0.167 0.000 1.181 163 F HN -0.181 nan 8.300 nan 0.000 0.435 164 G N 1.897 110.805 108.800 0.181 0.000 2.582 164 G HA2 0.329 4.284 3.960 -0.008 0.000 0.232 164 G HA3 0.329 4.284 3.960 -0.008 0.000 0.232 164 G C -0.507 174.348 174.900 -0.075 0.000 1.458 164 G CA -0.642 44.408 45.100 -0.083 0.000 1.062 164 G HN 0.529 nan 8.290 nan 0.000 0.566 165 I N 0.997 121.438 120.570 -0.215 0.000 2.683 165 I HA 0.226 4.391 4.170 -0.008 0.000 0.286 165 I C 0.523 176.537 176.117 -0.171 0.000 1.175 165 I CA -1.213 59.934 61.300 -0.256 0.000 1.429 165 I CB -0.305 37.439 38.000 -0.427 0.000 1.371 165 I HN 0.330 nan 8.210 nan 0.000 0.569 166 F N 6.293 126.254 119.950 0.017 0.000 2.628 166 F HA 0.237 4.759 4.527 -0.008 0.000 0.362 166 F C 0.466 176.318 175.800 0.086 0.000 1.148 166 F CA -0.507 57.527 58.000 0.058 0.000 1.352 166 F CB -0.344 38.678 39.000 0.037 0.000 1.081 166 F HN 0.428 nan 8.300 nan 0.000 0.605 167 N N 2.236 121.116 118.700 0.301 0.000 2.488 167 N HA 0.068 4.803 4.740 -0.008 0.000 0.274 167 N C -0.847 174.892 175.510 0.381 0.000 1.111 167 N CA -0.345 52.849 53.050 0.241 0.000 0.974 167 N CB 1.259 39.877 38.487 0.219 0.000 1.089 167 N HN 0.762 nan 8.380 nan 0.000 0.465 168 Q N 2.342 122.340 119.800 0.330 0.000 2.274 168 Q HA 0.173 4.508 4.340 -0.008 0.000 0.256 168 Q C -0.984 175.182 176.000 0.278 0.000 0.927 168 Q CA -0.397 55.636 55.803 0.382 0.000 0.939 168 Q CB 0.688 29.657 28.738 0.385 0.000 1.201 168 Q HN 0.207 nan 8.270 nan 0.000 0.426 169 K N 4.308 124.847 120.400 0.232 0.000 2.270 169 K HA 0.458 4.773 4.320 -0.008 0.000 0.255 169 K C -0.698 175.994 176.600 0.155 0.000 0.936 169 K CA -0.847 55.550 56.287 0.184 0.000 0.809 169 K CB 1.552 34.141 32.500 0.148 0.000 1.131 169 K HN 0.643 nan 8.250 nan 0.000 0.427 170 I N 2.952 123.604 120.570 0.137 0.000 2.330 170 I HA 0.186 4.351 4.170 -0.008 0.000 0.286 170 I C -0.276 175.893 176.117 0.086 0.000 1.025 170 I CA -0.632 60.718 61.300 0.083 0.000 1.197 170 I CB 0.521 38.546 38.000 0.042 0.000 1.358 170 I HN 0.377 nan 8.210 nan 0.000 0.467 171 C N 4.130 123.495 119.300 0.108 0.000 2.301 171 C HA 0.588 5.043 4.460 -0.008 0.000 0.323 171 C C 1.238 176.332 174.990 0.174 0.000 1.265 171 C CA -0.422 58.667 59.018 0.118 0.000 1.503 171 C CB 0.419 28.222 27.740 0.105 0.000 2.195 171 C HN 1.078 nan 8.230 nan 0.000 0.477 172 G N 2.501 111.377 108.800 0.127 0.000 2.225 172 G HA2 0.104 4.059 3.960 -0.008 0.000 0.267 172 G HA3 0.104 4.059 3.960 -0.008 0.000 0.267 172 G C 1.058 175.991 174.900 0.056 0.000 1.024 172 G CA 0.897 46.087 45.100 0.149 0.000 0.784 172 G HN 2.354 nan 8.290 nan 0.000 0.507 173 G N -3.025 105.742 108.800 -0.055 0.000 2.179 173 G HA2 -0.279 3.676 3.960 -0.008 0.000 0.260 173 G HA3 -0.279 3.676 3.960 -0.008 0.000 0.260 173 G C 0.317 174.966 174.900 -0.417 0.000 0.977 173 G CA 0.668 45.605 45.100 -0.271 0.000 0.641 173 G HN 1.213 nan 8.290 nan 0.000 0.533 174 W N 0.546 121.791 121.300 -0.092 0.000 2.578 174 W HA 0.676 5.331 4.660 -0.008 0.000 0.346 174 W C 0.555 177.020 176.519 -0.090 0.000 1.075 174 W CA -0.945 56.341 57.345 -0.099 0.000 1.233 174 W CB 0.894 30.314 29.460 -0.068 0.000 1.358 174 W HN 0.235 nan 8.180 nan 0.000 0.574 175 Q N 2.846 122.747 119.800 0.169 0.000 2.314 175 Q HA 0.308 4.643 4.340 -0.008 0.000 0.258 175 Q C -0.674 175.383 176.000 0.096 0.000 0.954 175 Q CA 0.099 55.965 55.803 0.105 0.000 0.890 175 Q CB 0.607 29.400 28.738 0.092 0.000 1.210 175 Q HN 0.318 nan 8.270 nan 0.000 0.410 176 M N 3.136 122.786 119.600 0.084 0.000 2.395 176 M HA 0.368 4.843 4.480 -0.008 0.000 0.307 176 M C -1.247 175.066 176.300 0.021 0.000 1.091 176 M CA -0.692 54.628 55.300 0.034 0.000 0.919 176 M CB 1.851 34.485 32.600 0.057 0.000 1.662 176 M HN 0.618 nan 8.290 nan 0.000 0.440 177 E N 1.411 121.553 120.200 -0.097 0.000 2.197 177 E HA 0.448 4.793 4.350 -0.008 0.000 0.281 177 E C -0.862 175.738 176.600 0.000 0.000 0.995 177 E CA -0.342 55.968 56.400 -0.149 0.000 0.808 177 E CB 1.705 31.063 29.700 -0.570 0.000 1.093 177 E HN 0.452 nan 8.360 nan 0.000 0.394 178 E N 1.505 121.790 120.200 0.142 0.000 2.222 178 E HA 0.585 4.930 4.350 -0.008 0.000 0.267 178 E C -1.094 175.610 176.600 0.174 0.000 0.884 178 E CA -1.117 55.361 56.400 0.130 0.000 0.764 178 E CB 1.221 31.012 29.700 0.152 0.000 1.169 178 E HN 0.627 nan 8.360 nan 0.000 0.413 179 A N 3.483 126.369 122.820 0.109 0.000 2.540 179 A HA -0.008 4.307 4.320 -0.008 0.000 0.239 179 A C 0.012 177.777 177.584 0.302 0.000 1.061 179 A CA 0.229 52.349 52.037 0.138 0.000 0.758 179 A CB 0.164 19.137 19.000 -0.045 0.000 0.991 179 A HN 0.661 nan 8.150 nan 0.000 0.502 180 D N 1.576 122.222 120.400 0.409 0.000 2.522 180 D HA 0.206 4.841 4.640 -0.008 0.000 0.218 180 D C -0.498 176.111 176.300 0.516 0.000 1.149 180 D CA -0.212 54.022 54.000 0.391 0.000 0.981 180 D CB 0.282 41.246 40.800 0.273 0.000 1.041 180 D HN 0.390 nan 8.370 nan 0.000 0.518 181 D N 3.514 124.176 120.400 0.437 0.000 2.688 181 D HA -0.022 4.613 4.640 -0.008 0.000 0.228 181 D C 1.183 177.594 176.300 0.185 0.000 1.116 181 D CA -0.555 53.594 54.000 0.248 0.000 1.023 181 D CB -0.168 40.787 40.800 0.258 0.000 1.100 181 D HN 0.525 nan 8.370 nan 0.000 0.487 182 W N 1.990 123.304 121.300 0.024 0.000 2.611 182 W HA -0.021 4.634 4.660 -0.008 0.000 0.251 182 W C -0.019 176.539 176.519 0.065 0.000 1.265 182 W CA 0.087 57.474 57.345 0.069 0.000 1.295 182 W CB -0.706 28.802 29.460 0.080 0.000 1.129 182 W HN 0.207 nan 8.180 nan 0.000 0.630 183 L N 0.874 121.736 121.223 -0.602 0.000 2.640 183 L HA 0.199 4.534 4.340 -0.008 0.000 0.230 183 L C 2.683 179.374 176.870 -0.299 0.000 1.123 183 L CA -0.077 54.383 54.840 -0.633 0.000 0.900 183 L CB -0.564 40.990 42.059 -0.843 0.000 1.146 183 L HN -0.126 nan 8.230 nan 0.000 0.484 184 R N 0.637 121.007 120.500 -0.218 0.000 2.113 184 R HA -0.240 4.095 4.340 -0.008 0.000 0.244 184 R C 1.408 177.499 176.300 -0.349 0.000 1.142 184 R CA 2.178 58.104 56.100 -0.290 0.000 0.953 184 R CB -0.243 29.842 30.300 -0.358 0.000 0.860 184 R HN 0.278 nan 8.270 nan 0.000 0.438 185 Y N -0.380 119.932 120.300 0.020 0.000 2.466 185 Y HA 0.343 4.888 4.550 -0.008 0.000 0.272 185 Y C 0.810 176.701 175.900 -0.015 0.000 1.169 185 Y CA 0.501 58.620 58.100 0.032 0.000 1.285 185 Y CB 0.759 39.346 38.460 0.213 0.000 1.078 185 Y HN 0.446 nan 8.280 nan 0.000 0.523 186 G N 1.201 110.045 108.800 0.073 0.000 2.662 186 G HA2 -0.206 3.749 3.960 -0.008 0.000 0.686 186 G HA3 -0.206 3.749 3.960 -0.008 0.000 0.686 186 G C -1.250 173.731 174.900 0.135 0.000 1.271 186 G CA -0.842 44.277 45.100 0.030 0.000 0.816 186 G HN 0.231 nan 8.290 nan 0.000 0.608 187 N N 1.320 120.042 118.700 0.036 0.000 2.569 187 N HA 0.539 5.274 4.740 -0.008 0.000 0.254 187 N C -0.551 174.956 175.510 -0.006 0.000 1.004 187 N CA -1.887 51.192 53.050 0.049 0.000 0.904 187 N CB 2.002 40.459 38.487 -0.050 0.000 1.165 187 N HN 0.265 nan 8.380 nan 0.000 0.513 188 P HA -0.027 nan 4.420 nan 0.000 0.226 188 P C 0.666 177.653 177.300 -0.521 0.000 1.153 188 P CA 0.819 63.611 63.100 -0.512 0.000 0.777 188 P CB 0.121 31.200 31.700 -1.035 0.000 0.794 189 W N 1.998 123.309 121.300 0.019 0.000 2.518 189 W HA 0.028 4.683 4.660 -0.008 0.000 0.273 189 W C 1.390 177.951 176.519 0.070 0.000 1.247 189 W CA -0.269 57.084 57.345 0.013 0.000 1.288 189 W CB -0.386 29.080 29.460 0.009 0.000 1.107 189 W HN 0.037 nan 8.180 nan 0.000 0.586 190 E N 1.659 122.032 120.200 0.289 0.000 2.318 190 E HA 0.339 4.684 4.350 -0.008 0.000 0.265 190 E C -0.594 176.178 176.600 0.287 0.000 1.069 190 E CA -0.753 55.830 56.400 0.306 0.000 0.893 190 E CB 1.266 31.161 29.700 0.325 0.000 1.076 190 E HN -0.329 nan 8.360 nan 0.000 0.414 191 K N 1.281 121.865 120.400 0.307 0.000 2.579 191 K HA 0.419 4.734 4.320 -0.008 0.000 0.250 191 K C -1.289 175.341 176.600 0.050 0.000 0.952 191 K CA -0.472 55.929 56.287 0.190 0.000 0.857 191 K CB 1.576 34.195 32.500 0.198 0.000 1.123 191 K HN 0.671 nan 8.250 nan 0.000 0.433 192 A N 4.311 127.068 122.820 -0.106 0.000 2.477 192 A HA 0.376 4.691 4.320 -0.008 0.000 0.246 192 A C -0.266 177.143 177.584 -0.291 0.000 1.078 192 A CA -0.137 51.579 52.037 -0.536 0.000 0.770 192 A CB 0.231 18.894 19.000 -0.562 0.000 1.011 192 A HN 0.699 nan 8.150 nan 0.000 0.494 193 R N 3.268 123.598 120.500 -0.285 0.000 2.835 193 R HA 0.183 4.518 4.340 -0.008 0.000 0.290 193 R C -2.316 173.927 176.300 -0.096 0.000 1.410 193 R CA -1.369 54.676 56.100 -0.092 0.000 1.590 193 R CB 0.943 31.341 30.300 0.164 0.000 1.288 193 R HN 0.605 nan 8.270 nan 0.000 0.637 194 P HA -0.199 nan 4.420 nan 0.000 0.219 194 P C 0.947 178.188 177.300 -0.099 0.000 1.146 194 P CA 1.222 64.269 63.100 -0.088 0.000 0.808 194 P CB 0.359 32.007 31.700 -0.088 0.000 0.779 195 E N 0.122 120.172 120.200 -0.250 0.000 2.409 195 E HA -0.133 4.212 4.350 -0.008 0.000 0.198 195 E C 0.915 177.309 176.600 -0.343 0.000 1.024 195 E CA 0.718 56.900 56.400 -0.363 0.000 0.861 195 E CB -1.047 28.305 29.700 -0.580 0.000 0.788 195 E HN 0.376 nan 8.360 nan 0.000 0.521 196 F N 1.773 121.739 119.950 0.026 0.000 2.684 196 F HA 0.221 4.744 4.527 -0.008 0.000 0.298 196 F C 0.481 176.372 175.800 0.152 0.000 1.120 196 F CA -0.623 57.422 58.000 0.075 0.000 1.332 196 F CB 0.608 39.646 39.000 0.064 0.000 0.986 196 F HN -0.274 nan 8.300 nan 0.000 0.524 197 T N 2.924 117.626 114.554 0.246 0.000 2.930 197 T HA 0.353 4.698 4.350 -0.008 0.000 0.306 197 T C -0.041 174.762 174.700 0.172 0.000 1.045 197 T CA 0.372 62.612 62.100 0.233 0.000 1.134 197 T CB 0.751 69.708 68.868 0.148 0.000 0.961 197 T HN 0.068 nan 8.240 nan 0.000 0.545 198 L N 4.263 125.551 121.223 0.109 0.000 2.371 198 L HA 0.500 4.835 4.340 -0.008 0.000 0.262 198 L C -2.518 174.296 176.870 -0.093 0.000 1.006 198 L CA -2.724 52.105 54.840 -0.018 0.000 0.818 198 L CB 2.307 44.294 42.059 -0.121 0.000 1.354 198 L HN 0.364 nan 8.230 nan 0.000 0.415 199 P HA 0.267 nan 4.420 nan 0.000 0.285 199 P C -1.180 175.956 177.300 -0.274 0.000 1.259 199 P CA -0.330 62.660 63.100 -0.183 0.000 0.794 199 P CB 1.338 32.933 31.700 -0.175 0.000 0.940 200 V N 4.242 123.976 119.914 -0.301 0.000 2.588 200 V HA 0.310 4.425 4.120 -0.008 0.000 0.304 200 V C -0.045 175.786 176.094 -0.438 0.000 1.042 200 V CA -0.618 61.489 62.300 -0.322 0.000 0.877 200 V CB 1.365 33.067 31.823 -0.202 0.000 0.996 200 V HN 0.597 nan 8.190 nan 0.000 0.425 201 H N 3.876 122.772 119.070 -0.291 0.000 2.479 201 H HA 0.646 5.197 4.556 -0.008 0.000 0.335 201 H C -1.242 173.800 175.328 -0.477 0.000 1.142 201 H CA -0.131 55.674 56.048 -0.405 0.000 1.234 201 H CB 1.920 31.206 29.762 -0.792 0.000 1.503 201 H HN 0.489 nan 8.280 nan 0.000 0.510 202 F N -0.005 120.011 119.950 0.109 0.000 2.626 202 F HA 0.197 4.718 4.527 -0.008 0.000 0.311 202 F C -0.292 175.625 175.800 0.195 0.000 1.088 202 F CA -0.591 57.474 58.000 0.110 0.000 0.949 202 F CB 1.098 40.060 39.000 -0.064 0.000 1.322 202 F HN 0.535 nan 8.300 nan 0.000 0.461 203 Y N 0.250 120.849 120.300 0.497 0.000 2.896 203 Y HA 0.005 4.550 4.550 -0.008 0.000 0.466 203 Y C 1.278 177.432 175.900 0.424 0.000 1.196 203 Y CA 0.708 59.017 58.100 0.348 0.000 2.514 203 Y CB -1.878 36.715 38.460 0.221 0.000 1.231 203 Y HN 1.323 nan 8.280 nan 0.000 0.632 204 G N 0.346 109.423 108.800 0.462 0.000 2.693 204 G HA2 0.119 4.074 3.960 -0.008 0.000 0.226 204 G HA3 0.119 4.074 3.960 -0.008 0.000 0.226 204 G C -0.899 174.213 174.900 0.353 0.000 1.354 204 G CA 0.173 45.470 45.100 0.327 0.000 0.873 204 G HN 0.993 nan 8.290 nan 0.000 0.562 205 R N -2.129 118.565 120.500 0.323 0.000 2.817 205 R HA 0.713 5.048 4.340 -0.008 0.000 0.268 205 R C -1.095 175.343 176.300 0.230 0.000 1.027 205 R CA -0.879 55.356 56.100 0.226 0.000 0.928 205 R CB 1.750 32.128 30.300 0.131 0.000 1.228 205 R HN 0.657 nan 8.270 nan 0.000 0.469 206 V N 1.460 121.416 119.914 0.071 0.000 2.328 206 V HA 0.274 4.389 4.120 -0.008 0.000 0.278 206 V C -0.274 175.724 176.094 -0.160 0.000 1.021 206 V CA -0.579 61.684 62.300 -0.063 0.000 0.838 206 V CB 1.111 32.811 31.823 -0.204 0.000 0.999 206 V HN 0.602 nan 8.190 nan 0.000 0.447 207 E N 3.707 123.834 120.200 -0.121 0.000 2.259 207 E HA 0.322 4.667 4.350 -0.008 0.000 0.281 207 E C -0.744 175.739 176.600 -0.196 0.000 1.027 207 E CA -0.534 55.807 56.400 -0.099 0.000 0.838 207 E CB 0.871 30.559 29.700 -0.020 0.000 1.066 207 E HN 0.595 nan 8.360 nan 0.000 0.401 208 H N 2.509 121.593 119.070 0.024 0.000 2.691 208 H HA 0.177 4.728 4.556 -0.008 0.000 0.281 208 H C -0.220 175.116 175.328 0.013 0.000 1.121 208 H CA -0.273 55.784 56.048 0.015 0.000 1.254 208 H CB 0.585 30.351 29.762 0.007 0.000 1.390 208 H HN 0.475 nan 8.280 nan 0.000 0.491 209 T N -0.982 113.636 114.554 0.105 0.000 2.912 209 T HA 0.223 4.568 4.350 -0.008 0.000 0.288 209 T C 1.545 176.280 174.700 0.059 0.000 1.030 209 T CA -0.204 61.937 62.100 0.069 0.000 1.020 209 T CB 1.897 70.790 68.868 0.042 0.000 1.056 209 T HN 0.440 nan 8.240 nan 0.000 0.480 210 S N 1.363 117.088 115.700 0.043 0.000 2.570 210 S HA -0.362 4.103 4.470 -0.008 0.000 0.328 210 S C 0.927 175.547 174.600 0.034 0.000 1.282 210 S CA 1.933 60.152 58.200 0.032 0.000 1.204 210 S CB -1.167 62.048 63.200 0.025 0.000 1.271 210 S HN 0.834 nan 8.310 nan 0.000 0.449 211 Q N 2.340 122.160 119.800 0.035 0.000 2.626 211 Q HA 0.586 4.920 4.340 -0.008 0.000 0.239 211 Q C 0.279 176.303 176.000 0.041 0.000 1.101 211 Q CA 0.751 56.575 55.803 0.034 0.000 0.918 211 Q CB 0.563 29.317 28.738 0.027 0.000 1.151 211 Q HN 0.988 nan 8.270 nan 0.000 0.531 212 G N 0.876 109.710 108.800 0.057 0.000 2.746 212 G HA2 0.090 4.045 3.960 -0.008 0.000 0.685 212 G HA3 0.090 4.045 3.960 -0.008 0.000 0.685 212 G C -0.624 174.323 174.900 0.079 0.000 1.350 212 G CA -0.648 44.493 45.100 0.068 0.000 0.837 212 G HN 0.738 nan 8.290 nan 0.000 0.564 213 A N 0.347 123.211 122.820 0.074 0.000 2.304 213 A HA 0.807 5.122 4.320 -0.008 0.000 0.271 213 A C 0.471 178.031 177.584 -0.040 0.000 1.091 213 A CA 0.640 52.666 52.037 -0.019 0.000 0.812 213 A CB 0.987 19.951 19.000 -0.060 0.000 1.056 213 A HN 1.033 nan 8.150 nan 0.000 0.489 214 K N 0.252 120.607 120.400 -0.076 0.000 2.507 214 K HA 0.278 4.593 4.320 -0.008 0.000 0.251 214 K C -1.977 174.658 176.600 0.057 0.000 0.943 214 K CA -0.381 55.903 56.287 -0.006 0.000 0.794 214 K CB 1.463 33.959 32.500 -0.006 0.000 1.188 214 K HN 0.713 nan 8.250 nan 0.000 0.428 215 W N 6.309 127.527 121.300 -0.137 0.000 2.311 215 W HA 0.383 5.038 4.660 -0.008 0.000 0.317 215 W C -0.877 175.573 176.519 -0.116 0.000 1.065 215 W CA -0.758 56.509 57.345 -0.130 0.000 1.364 215 W CB 0.180 29.552 29.460 -0.146 0.000 1.233 215 W HN 0.281 nan 8.180 nan 0.000 0.409 216 V N 2.717 122.674 119.914 0.071 0.000 3.155 216 V HA 0.618 4.733 4.120 -0.008 0.000 0.313 216 V C -0.136 175.924 176.094 -0.056 0.000 1.162 216 V CA -0.919 61.340 62.300 -0.068 0.000 1.048 216 V CB 1.924 33.740 31.823 -0.012 0.000 1.092 216 V HN 0.439 nan 8.190 nan 0.000 0.447 217 D N 0.217 120.585 120.400 -0.054 0.000 2.772 217 D HA -0.135 4.500 4.640 -0.008 0.000 0.233 217 D C 0.515 176.815 176.300 -0.000 0.000 1.143 217 D CA 1.505 55.502 54.000 -0.006 0.000 0.700 217 D CB -1.593 39.229 40.800 0.036 0.000 1.076 217 D HN 1.312 nan 8.370 nan 0.000 0.430 218 T N -2.891 111.611 114.554 -0.087 0.000 2.874 218 T HA 0.503 4.848 4.350 -0.008 0.000 0.281 218 T C 0.397 175.144 174.700 0.079 0.000 0.994 218 T CA -0.752 61.316 62.100 -0.052 0.000 1.015 218 T CB 2.127 70.789 68.868 -0.344 0.000 1.028 218 T HN 0.035 nan 8.240 nan 0.000 0.523 219 Q N 0.690 120.601 119.800 0.185 0.000 2.256 219 Q HA 0.563 4.897 4.340 -0.008 0.000 0.257 219 Q C -0.963 175.137 176.000 0.165 0.000 0.936 219 Q CA -0.885 55.033 55.803 0.191 0.000 0.903 219 Q CB 2.017 30.924 28.738 0.283 0.000 1.263 219 Q HN 0.530 nan 8.270 nan 0.000 0.440 220 V N 2.897 122.852 119.914 0.069 0.000 2.472 220 V HA 0.446 4.561 4.120 -0.008 0.000 0.290 220 V C -0.270 175.868 176.094 0.074 0.000 1.037 220 V CA -0.622 61.656 62.300 -0.036 0.000 0.908 220 V CB 1.758 33.500 31.823 -0.135 0.000 0.985 220 V HN 0.482 nan 8.190 nan 0.000 0.454 221 V N 5.683 125.665 119.914 0.115 0.000 2.588 221 V HA 0.470 4.585 4.120 -0.008 0.000 0.304 221 V C -0.245 175.954 176.094 0.175 0.000 1.042 221 V CA -0.568 61.850 62.300 0.195 0.000 0.877 221 V CB 1.923 33.955 31.823 0.349 0.000 0.996 221 V HN 0.646 nan 8.190 nan 0.000 0.425 222 L N 3.590 124.915 121.223 0.170 0.000 2.375 222 L HA 0.761 5.096 4.340 -0.008 0.000 0.271 222 L C 0.466 177.522 176.870 0.310 0.000 1.107 222 L CA -0.332 54.605 54.840 0.162 0.000 0.806 222 L CB 1.331 43.466 42.059 0.127 0.000 1.146 222 L HN 0.751 nan 8.230 nan 0.000 0.447 223 A N 4.796 127.738 122.820 0.203 0.000 2.267 223 A HA 0.577 4.892 4.320 -0.008 0.000 0.315 223 A C -0.516 177.333 177.584 0.442 0.000 1.297 223 A CA -0.467 51.724 52.037 0.257 0.000 0.865 223 A CB 0.937 19.621 19.000 -0.527 0.000 1.165 223 A HN 0.778 nan 8.150 nan 0.000 0.513 224 M N 6.262 126.190 119.600 0.546 0.000 2.129 224 M HA 0.433 4.908 4.480 -0.008 0.000 0.348 224 M C -2.558 174.037 176.300 0.493 0.000 1.116 224 M CA -2.112 53.459 55.300 0.451 0.000 1.022 224 M CB 1.987 34.777 32.600 0.316 0.000 1.599 224 M HN 0.393 nan 8.290 nan 0.000 0.449 225 P HA 0.243 nan 4.420 nan 0.000 0.286 225 P C -1.959 175.310 177.300 -0.051 0.000 1.261 225 P CA -0.119 62.940 63.100 -0.068 0.000 0.821 225 P CB 0.771 32.211 31.700 -0.433 0.000 1.013 226 Y N 0.520 120.771 120.300 -0.083 0.000 2.361 226 Y HA 0.321 4.866 4.550 -0.008 0.000 0.337 226 Y C 0.157 176.048 175.900 -0.015 0.000 0.965 226 Y CA -0.263 57.843 58.100 0.009 0.000 1.091 226 Y CB 1.491 39.986 38.460 0.057 0.000 1.182 226 Y HN 0.221 nan 8.280 nan 0.000 0.450 227 D N 1.861 122.371 120.400 0.185 0.000 2.168 227 D HA 0.436 5.071 4.640 -0.008 0.000 0.246 227 D C -0.640 175.889 176.300 0.382 0.000 1.050 227 D CA -0.251 53.894 54.000 0.241 0.000 0.857 227 D CB 1.852 42.817 40.800 0.275 0.000 1.169 227 D HN 0.364 nan 8.370 nan 0.000 0.453 228 T N 3.065 117.748 114.554 0.216 0.000 2.824 228 T HA 0.461 4.806 4.350 -0.008 0.000 0.282 228 T C -2.526 172.005 174.700 -0.281 0.000 0.993 228 T CA -1.428 60.696 62.100 0.039 0.000 0.967 228 T CB 2.091 70.978 68.868 0.031 0.000 0.960 228 T HN 0.180 nan 8.240 nan 0.000 0.441 229 P HA 0.307 nan 4.420 nan 0.000 0.275 229 P C -1.016 175.947 177.300 -0.560 0.000 1.227 229 P CA -0.374 62.030 63.100 -1.160 0.000 0.781 229 P CB 0.890 31.690 31.700 -1.501 0.000 0.906 230 V N 5.172 124.817 119.914 -0.448 0.000 2.340 230 V HA 0.257 4.372 4.120 -0.008 0.000 0.277 230 V C -2.007 173.955 176.094 -0.220 0.000 1.017 230 V CA -1.868 60.270 62.300 -0.270 0.000 0.820 230 V CB 1.415 33.126 31.823 -0.186 0.000 1.028 230 V HN 0.562 nan 8.190 nan 0.000 0.436 231 P HA 0.275 nan 4.420 nan 0.000 0.280 231 P C 0.274 177.526 177.300 -0.080 0.000 1.244 231 P CA 0.285 63.299 63.100 -0.143 0.000 0.784 231 P CB 1.817 33.428 31.700 -0.147 0.000 0.913 232 G N 2.153 110.923 108.800 -0.049 0.000 2.537 232 G HA2 0.176 4.131 3.960 -0.008 0.000 0.273 232 G HA3 0.176 4.131 3.960 -0.008 0.000 0.273 232 G C -1.203 173.712 174.900 0.024 0.000 1.189 232 G CA -0.677 44.424 45.100 0.001 0.000 0.881 232 G HN 0.523 nan 8.290 nan 0.000 0.535 233 Y N 1.114 121.378 120.300 -0.060 0.000 2.674 233 Y HA 0.200 4.745 4.550 -0.009 0.000 0.354 233 Y C 1.319 177.183 175.900 -0.060 0.000 1.089 233 Y CA -0.152 57.907 58.100 -0.067 0.000 1.444 233 Y CB -0.114 38.305 38.460 -0.069 0.000 1.187 233 Y HN 0.712 nan 8.280 nan 0.000 0.523 234 R N 3.336 123.540 120.500 -0.494 0.000 3.387 234 R HA -0.322 4.013 4.340 -0.008 0.000 0.254 234 R C -0.045 176.116 176.300 -0.231 0.000 1.006 234 R CA 1.322 57.160 56.100 -0.436 0.000 0.677 234 R CB -2.041 27.839 30.300 -0.700 0.000 1.063 234 R HN 0.949 nan 8.270 nan 0.000 0.453 235 N N -0.956 117.663 118.700 -0.135 0.000 2.160 235 N HA 0.053 4.788 4.740 -0.008 0.000 0.226 235 N C -0.184 175.286 175.510 -0.067 0.000 1.256 235 N CA -0.609 52.395 53.050 -0.077 0.000 0.890 235 N CB 0.541 39.008 38.487 -0.032 0.000 1.116 235 N HN 0.095 nan 8.380 nan 0.000 0.517 236 N N -0.073 118.582 118.700 -0.076 0.000 2.753 236 N HA -0.133 4.602 4.740 -0.008 0.000 0.251 236 N C -0.962 174.517 175.510 -0.051 0.000 1.097 236 N CA 0.605 53.619 53.050 -0.060 0.000 0.786 236 N CB -1.257 37.194 38.487 -0.059 0.000 1.137 236 N HN 0.201 nan 8.380 nan 0.000 0.566 237 V N 1.042 120.930 119.914 -0.043 0.000 2.481 237 V HA 0.488 4.603 4.120 -0.008 0.000 0.286 237 V C 0.563 176.636 176.094 -0.035 0.000 1.042 237 V CA -0.508 61.775 62.300 -0.028 0.000 0.928 237 V CB 2.247 34.078 31.823 0.012 0.000 0.986 237 V HN -0.044 nan 8.190 nan 0.000 0.462 238 V N 5.296 125.194 119.914 -0.026 0.000 2.462 238 V HA 0.427 4.541 4.120 -0.008 0.000 0.288 238 V C -0.169 175.922 176.094 -0.004 0.000 1.020 238 V CA -0.841 61.416 62.300 -0.072 0.000 0.857 238 V CB 1.496 33.263 31.823 -0.094 0.000 1.013 238 V HN 0.851 nan 8.190 nan 0.000 0.431 239 N N 1.924 120.595 118.700 -0.049 0.000 2.476 239 N HA 0.582 5.317 4.740 -0.008 0.000 0.287 239 N C -0.036 175.474 175.510 0.000 0.000 1.262 239 N CA -0.296 52.753 53.050 -0.001 0.000 0.980 239 N CB 1.216 39.661 38.487 -0.070 0.000 1.163 239 N HN 0.569 nan 8.380 nan 0.000 0.592 240 T N 0.667 115.238 114.554 0.029 0.000 2.863 240 T HA 0.451 4.796 4.350 -0.008 0.000 0.285 240 T C -0.323 174.350 174.700 -0.046 0.000 1.009 240 T CA -0.536 61.639 62.100 0.126 0.000 0.989 240 T CB 1.274 70.338 68.868 0.328 0.000 1.004 240 T HN 0.332 nan 8.240 nan 0.000 0.455 241 M N 3.487 123.023 119.600 -0.107 0.000 2.078 241 M HA 0.525 5.000 4.480 -0.008 0.000 0.320 241 M C -0.684 175.459 176.300 -0.262 0.000 0.969 241 M CA -0.744 54.395 55.300 -0.269 0.000 0.929 241 M CB 0.908 33.298 32.600 -0.350 0.000 1.504 241 M HN 0.498 nan 8.290 nan 0.000 0.419 242 R N 4.787 125.013 120.500 -0.458 0.000 2.265 242 R HA 0.567 4.902 4.340 -0.008 0.000 0.328 242 R C -1.978 174.019 176.300 -0.506 0.000 0.969 242 R CA -0.584 55.199 56.100 -0.527 0.000 0.832 242 R CB 0.930 30.723 30.300 -0.845 0.000 1.139 242 R HN 0.646 nan 8.270 nan 0.000 0.457 243 L N 5.480 126.524 121.223 -0.298 0.000 2.322 243 L HA 0.470 4.805 4.340 -0.008 0.000 0.281 243 L C -0.961 175.866 176.870 -0.070 0.000 1.014 243 L CA -0.576 54.189 54.840 -0.125 0.000 0.815 243 L CB 1.151 43.222 42.059 0.021 0.000 1.247 243 L HN 0.623 nan 8.230 nan 0.000 0.421 244 W N 2.126 123.551 121.300 0.209 0.000 2.316 244 W HA 0.602 5.257 4.660 -0.008 0.000 0.321 244 W C 0.564 177.319 176.519 0.393 0.000 1.203 244 W CA -0.268 57.228 57.345 0.251 0.000 1.214 244 W CB 1.417 30.889 29.460 0.020 0.000 1.169 244 W HN 0.445 nan 8.180 nan 0.000 0.561 245 S N 1.744 117.868 115.700 0.707 0.000 2.500 245 S HA 0.776 5.241 4.470 -0.008 0.000 0.301 245 S C -0.517 174.440 174.600 0.595 0.000 1.092 245 S CA -0.726 57.792 58.200 0.530 0.000 1.030 245 S CB 0.684 64.138 63.200 0.423 0.000 1.031 245 S HN 0.538 nan 8.310 nan 0.000 0.483 246 A N 4.756 127.769 122.820 0.323 0.000 2.366 246 A HA 0.699 5.014 4.320 -0.008 0.000 0.272 246 A C -0.351 177.338 177.584 0.174 0.000 1.135 246 A CA -0.334 51.801 52.037 0.164 0.000 0.804 246 A CB 0.326 19.155 19.000 -0.286 0.000 1.064 246 A HN 0.663 nan 8.150 nan 0.000 0.499 247 K N 0.981 121.500 120.400 0.198 0.000 2.422 247 K HA 0.642 4.957 4.320 -0.008 0.000 0.251 247 K C -0.529 176.140 176.600 0.115 0.000 0.933 247 K CA -0.423 55.953 56.287 0.148 0.000 0.798 247 K CB 2.277 34.876 32.500 0.165 0.000 1.238 247 K HN 0.790 nan 8.250 nan 0.000 0.428 248 A N 3.408 126.277 122.820 0.082 0.000 2.316 248 A HA 0.598 4.913 4.320 -0.008 0.000 0.284 248 A C -2.251 175.369 177.584 0.059 0.000 1.115 248 A CA -1.234 50.842 52.037 0.065 0.000 0.812 248 A CB -0.111 18.916 19.000 0.045 0.000 1.064 248 A HN 0.327 nan 8.150 nan 0.000 0.489 249 P HA 0.148 nan 4.420 nan 0.000 0.272 249 P C 0.298 177.620 177.300 0.037 0.000 1.230 249 P CA -0.410 62.715 63.100 0.042 0.000 0.788 249 P CB 0.542 32.261 31.700 0.033 0.000 0.949 250 N N 0.486 119.208 118.700 0.036 0.000 2.446 250 N HA -0.042 4.693 4.740 -0.008 0.000 0.179 250 N C 0.440 175.973 175.510 0.038 0.000 1.054 250 N CA 0.804 53.876 53.050 0.036 0.000 0.905 250 N CB -0.178 38.331 38.487 0.037 0.000 0.973 250 N HN 0.614 nan 8.380 nan 0.000 0.448 262 Y N 2.029 122.332 120.300 0.004 0.000 2.097 262 Y HA -0.127 4.418 4.550 -0.008 0.000 0.282 262 Y C 2.465 178.369 175.900 0.006 0.000 1.152 262 Y CA 2.123 60.226 58.100 0.005 0.000 1.136 262 Y CB 0.005 38.468 38.460 0.005 0.000 0.975 262 Y HN 0.370 nan 8.280 nan 0.000 0.498 263 I N 0.566 121.046 120.570 -0.149 0.000 2.163 263 I HA -0.321 3.844 4.170 -0.008 0.000 0.243 263 I C 2.407 178.408 176.117 -0.193 0.000 1.085 263 I CA 1.933 63.098 61.300 -0.226 0.000 1.347 263 I CB -1.565 36.415 38.000 -0.033 0.000 1.044 263 I HN 0.344 nan 8.210 nan 0.000 0.408 264 Q N 1.083 120.822 119.800 -0.101 0.000 2.124 264 Q HA -0.103 4.232 4.340 -0.008 0.000 0.202 264 Q C 2.217 178.162 176.000 -0.093 0.000 0.977 264 Q CA 2.100 57.859 55.803 -0.074 0.000 0.850 264 Q CB -0.327 28.390 28.738 -0.035 0.000 0.901 264 Q HN 0.478 nan 8.270 nan 0.000 0.429 265 A N -0.759 121.992 122.820 -0.116 0.000 1.902 265 A HA -0.138 4.177 4.320 -0.008 0.000 0.217 265 A C 2.239 179.744 177.584 -0.132 0.000 1.181 265 A CA 1.714 53.690 52.037 -0.101 0.000 0.623 265 A CB -0.788 18.164 19.000 -0.079 0.000 0.818 265 A HN 0.269 nan 8.150 nan 0.000 0.443 266 V N 0.150 119.922 119.914 -0.236 0.000 2.358 266 V HA -0.215 3.900 4.120 -0.008 0.000 0.246 266 V C 2.506 178.531 176.094 -0.116 0.000 1.047 266 V CA 1.757 63.936 62.300 -0.202 0.000 1.035 266 V CB -0.747 30.886 31.823 -0.317 0.000 0.658 266 V HN 0.561 nan 8.190 nan 0.000 0.452 267 L N -0.202 120.954 121.223 -0.111 0.000 2.131 267 L HA -0.146 4.188 4.340 -0.008 0.000 0.210 267 L C 1.975 178.820 176.870 -0.041 0.000 1.092 267 L CA 1.214 56.016 54.840 -0.063 0.000 0.759 267 L CB -0.660 41.365 42.059 -0.055 0.000 0.903 267 L HN 0.331 nan 8.230 nan 0.000 0.435 268 D N 0.021 120.394 120.400 -0.045 0.000 2.378 268 D HA -0.070 4.565 4.640 -0.008 0.000 0.227 268 D C 2.098 178.389 176.300 -0.016 0.000 1.012 268 D CA 0.434 54.417 54.000 -0.027 0.000 0.905 268 D CB 0.020 40.804 40.800 -0.027 0.000 0.895 268 D HN 0.265 nan 8.370 nan 0.000 0.532 269 R N 0.460 120.949 120.500 -0.018 0.000 2.152 269 R HA -0.053 4.282 4.340 -0.008 0.000 0.232 269 R C 1.708 178.013 176.300 0.008 0.000 1.117 269 R CA 0.544 56.643 56.100 -0.002 0.000 0.981 269 R CB -0.055 30.244 30.300 -0.002 0.000 0.870 269 R HN 0.170 nan 8.270 nan 0.000 0.451 270 N N 1.017 119.720 118.700 0.006 0.000 2.061 270 N HA -0.189 4.546 4.740 -0.008 0.000 0.193 270 N C 1.716 177.233 175.510 0.012 0.000 1.030 270 N CA 1.268 54.327 53.050 0.015 0.000 0.856 270 N CB -0.348 38.146 38.487 0.013 0.000 1.023 270 N HN 0.055 nan 8.380 nan 0.000 0.424 271 L N 1.234 122.460 121.223 0.004 0.000 2.064 271 L HA -0.225 4.110 4.340 -0.008 0.000 0.216 271 L C 2.386 179.251 176.870 -0.008 0.000 1.077 271 L CA 1.888 56.728 54.840 0.000 0.000 0.766 271 L CB -1.174 40.884 42.059 -0.001 0.000 0.890 271 L HN 0.188 nan 8.230 nan 0.000 0.435 272 A N -1.208 121.611 122.820 -0.002 0.000 1.970 272 A HA -0.123 4.192 4.320 -0.008 0.000 0.216 272 A C 2.108 179.675 177.584 -0.029 0.000 1.170 272 A CA 1.150 53.181 52.037 -0.009 0.000 0.645 272 A CB -0.382 18.635 19.000 0.028 0.000 0.816 272 A HN 0.551 nan 8.150 nan 0.000 0.447 273 E N 0.180 120.379 120.200 -0.002 0.000 2.435 273 E HA -0.058 4.287 4.350 -0.008 0.000 0.195 273 E C 0.802 177.406 176.600 0.007 0.000 1.029 273 E CA 0.137 56.541 56.400 0.007 0.000 0.865 273 E CB -0.137 29.588 29.700 0.042 0.000 0.833 273 E HN 0.446 nan 8.360 nan 0.000 0.510 274 N N 1.088 119.792 118.700 0.005 0.000 2.520 274 N HA -0.054 4.681 4.740 -0.008 0.000 0.185 274 N C 1.629 177.155 175.510 0.027 0.000 1.068 274 N CA 0.530 53.600 53.050 0.033 0.000 0.911 274 N CB 0.002 38.506 38.487 0.028 0.000 0.961 274 N HN 0.275 nan 8.380 nan 0.000 0.446 275 I N 0.411 120.941 120.570 -0.066 0.000 2.208 275 I HA -0.239 3.926 4.170 -0.008 0.000 0.245 275 I C 1.430 177.534 176.117 -0.021 0.000 1.097 275 I CA 1.226 62.454 61.300 -0.119 0.000 1.363 275 I CB -0.193 37.565 38.000 -0.403 0.000 1.051 275 I HN 0.123 nan 8.210 nan 0.000 0.413 276 S N -0.465 115.223 115.700 -0.019 0.000 2.583 276 S HA 0.179 4.643 4.470 -0.008 0.000 0.239 276 S C 1.470 176.229 174.600 0.265 0.000 0.966 276 S CA -0.534 57.747 58.200 0.135 0.000 0.973 276 S CB 0.247 63.513 63.200 0.109 0.000 0.794 276 S HN 0.210 nan 8.310 nan 0.000 0.463 277 R N 1.223 121.877 120.500 0.257 0.000 2.073 277 R HA 0.284 4.619 4.340 -0.008 0.000 0.229 277 R C 0.408 176.975 176.300 0.446 0.000 1.120 277 R CA 1.122 57.416 56.100 0.324 0.000 0.967 277 R CB -0.192 30.254 30.300 0.243 0.000 0.862 277 R HN 0.399 nan 8.270 nan 0.000 0.436 278 V N 0.168 120.290 119.914 0.348 0.000 3.012 278 V HA 0.356 4.471 4.120 -0.008 0.000 0.307 278 V C -1.631 174.417 176.094 -0.076 0.000 1.166 278 V CA -1.391 61.033 62.300 0.207 0.000 0.974 278 V CB 1.787 33.655 31.823 0.075 0.000 1.040 278 V HN 0.141 nan 8.190 nan 0.000 0.428 279 L N 6.300 127.259 121.223 -0.441 0.000 2.367 279 L HA 0.471 4.806 4.340 -0.008 0.000 0.275 279 L C -0.908 175.795 176.870 -0.279 0.000 1.129 279 L CA 0.470 54.826 54.840 -0.807 0.000 0.839 279 L CB 0.490 42.053 42.059 -0.827 0.000 1.133 279 L HN 0.680 nan 8.230 nan 0.000 0.453 280 Y N 7.005 127.196 120.300 -0.181 0.000 2.465 280 Y HA 0.237 4.782 4.550 -0.008 0.000 0.331 280 Y C -1.329 174.557 175.900 -0.023 0.000 1.102 280 Y CA -1.166 56.909 58.100 -0.042 0.000 1.358 280 Y CB 0.560 39.022 38.460 0.003 0.000 1.213 280 Y HN 0.585 nan 8.280 nan 0.000 0.525 281 P HA -0.024 nan 4.420 nan 0.000 0.262 281 P C -0.217 177.213 177.300 0.216 0.000 1.304 281 P CA 0.269 63.476 63.100 0.177 0.000 0.859 281 P CB 0.411 32.297 31.700 0.310 0.000 1.310 282 N N 2.594 121.424 118.700 0.218 0.000 2.555 282 N HA 0.007 4.742 4.740 -0.008 0.000 0.244 282 N C 0.196 175.831 175.510 0.209 0.000 1.114 282 N CA 0.120 53.298 53.050 0.215 0.000 0.963 282 N CB 0.120 38.729 38.487 0.202 0.000 1.276 282 N HN 0.043 nan 8.380 nan 0.000 0.510 283 D N 1.767 122.320 120.400 0.254 0.000 2.427 283 D HA 0.004 4.639 4.640 -0.008 0.000 0.224 283 D C 0.541 177.061 176.300 0.368 0.000 1.157 283 D CA -0.082 54.086 54.000 0.280 0.000 0.828 283 D CB -0.029 40.952 40.800 0.301 0.000 0.974 283 D HN 0.555 nan 8.370 nan 0.000 0.498 284 N N -0.521 118.374 118.700 0.326 0.000 2.486 284 N HA 0.028 4.763 4.740 -0.008 0.000 0.242 284 N C -0.506 175.155 175.510 0.252 0.000 1.083 284 N CA -0.212 53.025 53.050 0.311 0.000 0.844 284 N CB 0.316 38.905 38.487 0.170 0.000 1.527 284 N HN 0.047 nan 8.380 nan 0.000 0.462 285 F N 1.521 121.484 119.950 0.022 0.000 2.493 285 F HA 0.495 5.017 4.527 -0.009 0.000 0.329 285 F C -0.887 174.944 175.800 0.053 0.000 1.126 285 F CA -1.840 56.170 58.000 0.016 0.000 0.937 285 F CB 1.442 40.406 39.000 -0.059 0.000 1.146 285 F HN -0.063 nan 8.300 nan 0.000 0.442 286 F N 5.669 125.285 119.950 -0.557 0.000 2.504 286 F HA 0.341 4.863 4.527 -0.008 0.000 0.369 286 F C -0.441 175.050 175.800 -0.516 0.000 1.082 286 F CA 0.068 57.782 58.000 -0.478 0.000 1.216 286 F CB 0.445 39.145 39.000 -0.501 0.000 1.108 286 F HN 0.502 nan 8.300 nan 0.000 0.554 287 E N 4.229 123.750 120.200 -1.131 0.000 2.191 287 E HA 0.270 4.615 4.350 -0.008 0.000 0.263 287 E C -0.215 175.563 176.600 -1.369 0.000 0.881 287 E CA -0.803 55.050 56.400 -0.912 0.000 0.757 287 E CB 1.727 31.244 29.700 -0.305 0.000 1.147 287 E HN 0.881 nan 8.360 nan 0.000 0.414 288 G N 4.025 112.082 108.800 -1.237 0.000 3.102 288 G HA2 0.003 3.958 3.960 -0.008 0.000 0.264 288 G HA3 0.003 3.958 3.960 -0.008 0.000 0.264 288 G C 0.105 174.966 174.900 -0.065 0.000 0.788 288 G CA -0.296 44.317 45.100 -0.812 0.000 2.029 288 G HN 0.097 nan 8.290 nan 0.000 0.608 289 K N 0.721 121.106 120.400 -0.025 0.000 2.205 289 K HA 0.146 4.461 4.320 -0.008 0.000 0.279 289 K C 1.048 177.775 176.600 0.211 0.000 1.027 289 K CA -0.535 55.819 56.287 0.112 0.000 0.932 289 K CB 2.121 34.687 32.500 0.110 0.000 1.032 289 K HN 0.510 nan 8.250 nan 0.000 0.466 290 E N 1.839 122.133 120.200 0.156 0.000 2.085 290 E HA -0.216 4.129 4.350 -0.008 0.000 0.194 290 E C 1.525 178.145 176.600 0.035 0.000 0.994 290 E CA 1.015 57.464 56.400 0.081 0.000 0.801 290 E CB 0.160 29.908 29.700 0.080 0.000 0.743 290 E HN 0.397 nan 8.360 nan 0.000 0.453 291 L N 1.286 122.568 121.223 0.099 0.000 2.079 291 L HA -0.179 4.156 4.340 -0.008 0.000 0.210 291 L C 2.451 179.386 176.870 0.108 0.000 1.081 291 L CA 1.789 56.702 54.840 0.122 0.000 0.752 291 L CB -0.489 41.721 42.059 0.251 0.000 0.896 291 L HN 0.009 nan 8.230 nan 0.000 0.433 292 R N -0.658 119.835 120.500 -0.013 0.000 2.092 292 R HA -0.148 4.187 4.340 -0.008 0.000 0.231 292 R C 2.096 178.409 176.300 0.021 0.000 1.119 292 R CA 1.795 57.788 56.100 -0.179 0.000 0.970 292 R CB -0.962 29.032 30.300 -0.509 0.000 0.864 292 R HN 0.408 nan 8.270 nan 0.000 0.440 293 L N 0.838 122.013 121.223 -0.079 0.000 2.093 293 L HA -0.048 4.287 4.340 -0.008 0.000 0.208 293 L C 1.651 178.458 176.870 -0.104 0.000 1.085 293 L CA 1.874 56.475 54.840 -0.398 0.000 0.755 293 L CB -0.373 41.178 42.059 -0.846 0.000 0.904 293 L HN 0.145 nan 8.230 nan 0.000 0.435 294 K N -0.929 119.446 120.400 -0.040 0.000 2.057 294 K HA -0.189 4.125 4.320 -0.008 0.000 0.207 294 K C 2.078 178.826 176.600 0.247 0.000 1.049 294 K CA 1.751 58.073 56.287 0.057 0.000 0.931 294 K CB -0.194 32.157 32.500 -0.249 0.000 0.714 294 K HN 0.519 nan 8.250 nan 0.000 0.440 295 Q N 0.711 120.624 119.800 0.187 0.000 2.084 295 Q HA -0.189 4.146 4.340 -0.008 0.000 0.202 295 Q C 1.965 178.162 176.000 0.328 0.000 0.978 295 Q CA 1.441 57.417 55.803 0.288 0.000 0.844 295 Q CB -0.045 28.878 28.738 0.309 0.000 0.898 295 Q HN 0.392 nan 8.270 nan 0.000 0.426 296 E N -0.172 120.172 120.200 0.239 0.000 2.077 296 E HA -0.211 4.134 4.350 -0.008 0.000 0.193 296 E C 1.732 178.448 176.600 0.194 0.000 0.989 296 E CA 1.044 57.571 56.400 0.212 0.000 0.800 296 E CB -0.124 29.675 29.700 0.165 0.000 0.746 296 E HN 0.323 nan 8.360 nan 0.000 0.452 297 Y N 0.300 120.649 120.300 0.082 0.000 2.263 297 Y HA -0.181 4.364 4.550 -0.008 0.000 0.292 297 Y C 1.938 177.876 175.900 0.064 0.000 1.130 297 Y CA 0.876 58.980 58.100 0.007 0.000 1.179 297 Y CB -0.352 38.082 38.460 -0.043 0.000 0.998 297 Y HN 0.005 nan 8.280 nan 0.000 0.532 298 F N -0.240 119.710 119.950 0.001 0.000 2.065 298 F HA -0.263 4.259 4.527 -0.008 0.000 0.298 298 F C 2.495 178.156 175.800 -0.233 0.000 1.112 298 F CA 2.075 60.027 58.000 -0.080 0.000 1.212 298 F CB -1.106 37.995 39.000 0.168 0.000 0.975 298 F HN -0.057 nan 8.300 nan 0.000 0.476 299 V N -0.434 119.452 119.914 -0.046 0.000 2.358 299 V HA -0.211 3.904 4.120 -0.008 0.000 0.246 299 V C 2.200 178.159 176.094 -0.224 0.000 1.047 299 V CA 1.970 64.213 62.300 -0.095 0.000 1.035 299 V CB -0.390 31.571 31.823 0.229 0.000 0.658 299 V HN 0.261 nan 8.190 nan 0.000 0.452 300 V N 0.469 120.256 119.914 -0.212 0.000 2.307 300 V HA -0.173 3.942 4.120 -0.008 0.000 0.245 300 V C 2.806 178.647 176.094 -0.421 0.000 1.045 300 V CA 2.084 64.241 62.300 -0.239 0.000 1.024 300 V CB -1.162 30.580 31.823 -0.135 0.000 0.651 300 V HN 0.638 nan 8.190 nan 0.000 0.449 301 A N -0.084 122.307 122.820 -0.716 0.000 1.877 301 A HA -0.087 4.228 4.320 -0.008 0.000 0.216 301 A C 2.403 179.616 177.584 -0.620 0.000 1.186 301 A CA 2.087 53.691 52.037 -0.722 0.000 0.620 301 A CB -0.778 17.561 19.000 -1.102 0.000 0.822 301 A HN 0.554 nan 8.150 nan 0.000 0.443 302 A N -1.072 121.223 122.820 -0.876 0.000 1.873 302 A HA -0.049 4.266 4.320 -0.008 0.000 0.215 302 A C 2.311 179.431 177.584 -0.773 0.000 1.186 302 A CA 2.229 53.572 52.037 -1.157 0.000 0.616 302 A CB -1.279 16.349 19.000 -2.287 0.000 0.823 302 A HN 0.419 nan 8.150 nan 0.000 0.442 303 T N 0.559 114.802 114.554 -0.519 0.000 2.684 303 T HA -0.114 4.231 4.350 -0.008 0.000 0.267 303 T C 1.803 176.257 174.700 -0.410 0.000 1.036 303 T CA 1.489 63.406 62.100 -0.304 0.000 1.148 303 T CB -0.405 68.282 68.868 -0.301 0.000 0.863 303 T HN 0.337 nan 8.240 nan 0.000 0.436 304 L N 0.699 121.716 121.223 -0.344 0.000 2.131 304 L HA -0.155 4.180 4.340 -0.008 0.000 0.210 304 L C 2.869 179.622 176.870 -0.195 0.000 1.092 304 L CA 1.312 55.992 54.840 -0.267 0.000 0.759 304 L CB -0.484 41.456 42.059 -0.197 0.000 0.903 304 L HN 0.378 nan 8.230 nan 0.000 0.435 305 Q N -0.644 119.042 119.800 -0.190 0.000 2.119 305 Q HA -0.216 4.119 4.340 -0.008 0.000 0.201 305 Q C 1.708 177.677 176.000 -0.052 0.000 0.972 305 Q CA 1.411 57.153 55.803 -0.102 0.000 0.847 305 Q CB -0.034 28.634 28.738 -0.118 0.000 0.903 305 Q HN 0.396 nan 8.270 nan 0.000 0.433 306 D N 0.662 121.024 120.400 -0.063 0.000 2.117 306 D HA -0.101 4.534 4.640 -0.008 0.000 0.197 306 D C 1.730 177.971 176.300 -0.098 0.000 0.987 306 D CA 0.862 54.862 54.000 -0.001 0.000 0.829 306 D CB -0.040 40.842 40.800 0.136 0.000 0.961 306 D HN 0.165 nan 8.370 nan 0.000 0.460 307 I N 0.397 120.793 120.570 -0.290 0.000 2.163 307 I HA -0.255 3.910 4.170 -0.008 0.000 0.243 307 I C 2.340 178.452 176.117 -0.009 0.000 1.085 307 I CA 0.834 61.900 61.300 -0.389 0.000 1.347 307 I CB -0.185 37.434 38.000 -0.636 0.000 1.044 307 I HN 0.035 nan 8.210 nan 0.000 0.408 308 I N 0.229 120.854 120.570 0.091 0.000 2.315 308 I HA -0.282 3.883 4.170 -0.008 0.000 0.248 308 I C 2.798 179.074 176.117 0.266 0.000 1.117 308 I CA 1.084 62.561 61.300 0.294 0.000 1.404 308 I CB -0.458 37.675 38.000 0.223 0.000 1.071 308 I HN 0.237 nan 8.210 nan 0.000 0.419 309 R N 1.362 121.945 120.500 0.138 0.000 2.080 309 R HA -0.208 4.126 4.340 -0.008 0.000 0.236 309 R C 2.494 178.861 176.300 0.112 0.000 1.137 309 R CA 1.728 57.894 56.100 0.109 0.000 0.943 309 R CB -0.247 30.093 30.300 0.067 0.000 0.846 309 R HN 0.201 nan 8.270 nan 0.000 0.431 310 R N -0.688 119.875 120.500 0.104 0.000 2.105 310 R HA -0.183 4.152 4.340 -0.008 0.000 0.239 310 R C 2.230 178.616 176.300 0.144 0.000 1.135 310 R CA 1.847 58.016 56.100 0.115 0.000 0.967 310 R CB -0.427 29.940 30.300 0.111 0.000 0.861 310 R HN 0.277 nan 8.270 nan 0.000 0.442 311 F N 1.765 121.743 119.950 0.046 0.000 2.102 311 F HA -0.162 4.360 4.527 -0.009 0.000 0.298 311 F C 1.587 177.391 175.800 0.006 0.000 1.105 311 F CA 1.558 59.577 58.000 0.030 0.000 1.239 311 F CB -0.023 39.045 39.000 0.114 0.000 0.991 311 F HN -0.197 nan 8.300 nan 0.000 0.474 312 K N -0.322 120.035 120.400 -0.071 0.000 2.574 312 K HA 0.000 4.315 4.320 -0.008 0.000 0.193 312 K C 1.362 177.868 176.600 -0.156 0.000 1.035 312 K CA 0.925 57.090 56.287 -0.202 0.000 0.982 312 K CB -0.152 32.346 32.500 -0.004 0.000 0.795 312 K HN 0.198 nan 8.250 nan 0.000 0.491 313 S N -0.100 115.545 115.700 -0.090 0.000 2.559 313 S HA 0.104 4.569 4.470 -0.008 0.000 0.226 313 S C 0.415 174.997 174.600 -0.031 0.000 1.000 313 S CA -0.383 57.812 58.200 -0.008 0.000 0.948 313 S CB 0.589 63.846 63.200 0.095 0.000 0.870 313 S HN 0.110 nan 8.310 nan 0.000 0.497 326 F N 0.560 120.626 119.950 0.193 0.000 2.722 326 F HA -0.001 4.521 4.527 -0.008 0.000 0.298 326 F C 1.394 177.262 175.800 0.113 0.000 1.175 326 F CA 0.646 58.735 58.000 0.147 0.000 1.462 326 F CB 0.074 39.030 39.000 -0.074 0.000 1.111 326 F HN 0.526 nan 8.300 nan 0.000 0.592 327 D N 0.088 120.636 120.400 0.246 0.000 2.219 327 D HA -0.137 4.498 4.640 -0.008 0.000 0.205 327 D C 2.146 178.543 176.300 0.163 0.000 0.970 327 D CA 1.186 55.284 54.000 0.164 0.000 0.851 327 D CB -0.062 40.808 40.800 0.117 0.000 0.943 327 D HN 0.247 nan 8.370 nan 0.000 0.488 328 A N -0.632 122.316 122.820 0.213 0.000 2.275 328 A HA 0.111 4.426 4.320 -0.008 0.000 0.212 328 A C 1.500 179.217 177.584 0.222 0.000 1.201 328 A CA -0.313 51.844 52.037 0.200 0.000 0.843 328 A CB -0.748 18.372 19.000 0.200 0.000 0.873 328 A HN 0.222 nan 8.150 nan 0.000 0.492 329 F N 1.921 121.859 119.950 -0.019 0.000 2.065 329 F HA -0.143 4.379 4.527 -0.008 0.000 0.298 329 F C -0.805 174.909 175.800 -0.145 0.000 1.112 329 F CA 2.520 60.309 58.000 -0.352 0.000 1.212 329 F CB -0.613 38.161 39.000 -0.377 0.000 0.975 329 F HN 0.199 nan 8.300 nan 0.000 0.476 330 P HA -0.105 nan 4.420 nan 0.000 0.225 330 P C 0.654 177.926 177.300 -0.047 0.000 1.148 330 P CA 1.520 64.610 63.100 -0.018 0.000 0.779 330 P CB -0.058 31.649 31.700 0.012 0.000 0.780 331 D N -1.098 119.295 120.400 -0.013 0.000 2.348 331 D HA -0.002 4.633 4.640 -0.008 0.000 0.211 331 D C 1.432 177.728 176.300 -0.006 0.000 0.998 331 D CA 0.790 54.792 54.000 0.003 0.000 0.873 331 D CB 0.178 40.998 40.800 0.033 0.000 0.925 331 D HN 0.151 nan 8.370 nan 0.000 0.524 332 K N 0.097 120.474 120.400 -0.040 0.000 2.402 332 K HA 0.218 4.533 4.320 -0.008 0.000 0.203 332 K C -0.054 176.477 176.600 -0.115 0.000 1.077 332 K CA 0.053 56.325 56.287 -0.024 0.000 1.051 332 K CB 2.427 35.003 32.500 0.127 0.000 0.907 332 K HN -0.069 nan 8.250 nan 0.000 0.554 333 V N 0.813 120.572 119.914 -0.258 0.000 2.760 333 V HA 0.664 4.779 4.120 -0.008 0.000 0.309 333 V C -1.220 174.797 176.094 -0.128 0.000 1.077 333 V CA -1.268 60.879 62.300 -0.255 0.000 0.910 333 V CB 1.955 33.347 31.823 -0.718 0.000 1.008 333 V HN 0.107 nan 8.190 nan 0.000 0.424 334 A N 5.380 128.185 122.820 -0.025 0.000 2.359 334 A HA 0.910 5.225 4.320 -0.008 0.000 0.303 334 A C -1.086 176.520 177.584 0.038 0.000 1.066 334 A CA -0.408 51.634 52.037 0.009 0.000 0.730 334 A CB 1.018 19.971 19.000 -0.078 0.000 1.211 334 A HN 0.753 nan 8.150 nan 0.000 0.439 335 I N 1.900 122.531 120.570 0.101 0.000 2.389 335 I HA 0.329 4.494 4.170 -0.008 0.000 0.288 335 I C -0.307 175.890 176.117 0.132 0.000 0.999 335 I CA -0.587 60.779 61.300 0.109 0.000 1.129 335 I CB 1.977 40.021 38.000 0.073 0.000 1.288 335 I HN 0.704 nan 8.210 nan 0.000 0.444 336 Q N 6.858 126.728 119.800 0.117 0.000 2.314 336 Q HA 0.532 4.867 4.340 -0.008 0.000 0.259 336 Q C -1.421 174.559 176.000 -0.033 0.000 0.951 336 Q CA -0.288 55.611 55.803 0.160 0.000 0.909 336 Q CB 1.425 30.361 28.738 0.330 0.000 1.236 336 Q HN 0.566 nan 8.270 nan 0.000 0.444 337 L N 3.690 124.936 121.223 0.038 0.000 2.257 337 L HA 0.434 4.769 4.340 -0.008 0.000 0.290 337 L C 0.018 176.899 176.870 0.019 0.000 1.044 337 L CA -0.811 54.044 54.840 0.025 0.000 0.810 337 L CB 0.850 42.980 42.059 0.117 0.000 1.193 337 L HN 0.566 nan 8.230 nan 0.000 0.425 338 N N 4.500 123.145 118.700 -0.092 0.000 2.508 338 N HA 0.071 4.806 4.740 -0.008 0.000 0.253 338 N C -0.180 175.366 175.510 0.060 0.000 1.145 338 N CA 0.529 53.591 53.050 0.021 0.000 0.973 338 N CB -0.099 38.345 38.487 -0.072 0.000 1.305 338 N HN 0.652 nan 8.380 nan 0.000 0.506 339 D N -0.143 120.361 120.400 0.173 0.000 4.199 339 D HA -0.222 4.413 4.640 -0.008 0.000 0.291 339 D C 0.288 176.680 176.300 0.154 0.000 2.213 339 D CA 1.470 55.550 54.000 0.133 0.000 1.174 339 D CB -0.527 40.097 40.800 -0.293 0.000 1.012 339 D HN 0.501 nan 8.370 nan 0.000 1.213 340 T N -2.372 112.213 114.554 0.051 0.000 3.129 340 T HA 0.094 4.439 4.350 -0.008 0.000 0.251 340 T C 1.633 176.419 174.700 0.142 0.000 1.117 340 T CA 1.467 63.590 62.100 0.039 0.000 1.034 340 T CB -0.505 68.354 68.868 -0.015 0.000 0.968 340 T HN 0.496 nan 8.240 nan 0.000 0.526 341 H N 2.597 121.765 119.070 0.162 0.000 2.390 341 H HA -0.014 4.537 4.556 -0.008 0.000 0.298 341 H C -0.768 174.654 175.328 0.156 0.000 1.106 341 H CA 1.102 57.258 56.048 0.179 0.000 1.297 341 H CB -0.739 29.127 29.762 0.174 0.000 1.375 341 H HN 0.450 nan 8.280 nan 0.000 0.509 342 P HA 0.090 nan 4.420 nan 0.000 0.266 342 P C 0.717 178.066 177.300 0.082 0.000 1.561 342 P CA 0.378 63.564 63.100 0.144 0.000 1.089 342 P CB 0.488 32.263 31.700 0.125 0.000 1.534 343 S N -0.128 115.615 115.700 0.072 0.000 2.440 343 S HA -0.119 4.346 4.470 -0.008 0.000 0.238 343 S C 1.780 176.385 174.600 0.008 0.000 1.010 343 S CA 0.707 58.910 58.200 0.005 0.000 0.972 343 S CB -1.442 61.734 63.200 -0.039 0.000 0.774 343 S HN 0.150 nan 8.310 nan 0.000 0.501 344 L N 0.851 122.092 121.223 0.031 0.000 2.549 344 L HA 0.023 4.358 4.340 -0.008 0.000 0.229 344 L C 2.896 179.800 176.870 0.058 0.000 1.158 344 L CA 0.611 55.470 54.840 0.032 0.000 0.842 344 L CB -0.754 41.327 42.059 0.037 0.000 0.952 344 L HN 0.483 nan 8.230 nan 0.000 0.452 345 A N 0.552 123.388 122.820 0.027 0.000 1.972 345 A HA -0.183 4.132 4.320 -0.008 0.000 0.219 345 A C 2.175 179.757 177.584 -0.004 0.000 1.169 345 A CA 1.364 53.402 52.037 0.001 0.000 0.635 345 A CB -0.409 18.583 19.000 -0.014 0.000 0.810 345 A HN 0.361 nan 8.150 nan 0.000 0.446 346 I N 0.340 120.909 120.570 -0.002 0.000 2.113 346 I HA -0.155 4.010 4.170 -0.008 0.000 0.238 346 I C -0.300 175.831 176.117 0.023 0.000 1.070 346 I CA 1.650 62.946 61.300 -0.007 0.000 1.332 346 I CB -1.011 36.989 38.000 0.000 0.000 1.044 346 I HN 0.261 nan 8.210 nan 0.000 0.402 347 P HA -0.161 nan 4.420 nan 0.000 0.222 347 P C 1.251 178.572 177.300 0.036 0.000 1.153 347 P CA 1.458 64.590 63.100 0.053 0.000 0.798 347 P CB 0.052 31.802 31.700 0.084 0.000 0.796 348 E N 0.378 120.662 120.200 0.140 0.000 2.106 348 E HA -0.143 4.202 4.350 -0.008 0.000 0.192 348 E C 1.934 178.520 176.600 -0.024 0.000 0.984 348 E CA 0.621 57.120 56.400 0.165 0.000 0.806 348 E CB -1.187 28.658 29.700 0.243 0.000 0.750 348 E HN 0.004 nan 8.360 nan 0.000 0.458 349 L N -0.044 121.133 121.223 -0.077 0.000 2.083 349 L HA -0.080 4.255 4.340 -0.008 0.000 0.209 349 L C 2.052 178.776 176.870 -0.244 0.000 1.083 349 L CA 1.693 56.426 54.840 -0.179 0.000 0.752 349 L CB -0.499 41.451 42.059 -0.181 0.000 0.899 349 L HN 0.231 nan 8.230 nan 0.000 0.433 350 M N -0.789 118.685 119.600 -0.209 0.000 2.117 350 M HA -0.199 4.276 4.480 -0.008 0.000 0.262 350 M C 2.432 178.570 176.300 -0.270 0.000 1.065 350 M CA 1.536 56.661 55.300 -0.291 0.000 1.114 350 M CB -1.161 31.255 32.600 -0.307 0.000 1.361 350 M HN 0.335 nan 8.290 nan 0.000 0.408 351 R N 0.104 120.472 120.500 -0.221 0.000 2.083 351 R HA -0.139 4.196 4.340 -0.008 0.000 0.237 351 R C 2.035 178.235 176.300 -0.167 0.000 1.137 351 R CA 1.761 57.734 56.100 -0.211 0.000 0.951 351 R CB -0.202 29.924 30.300 -0.290 0.000 0.851 351 R HN 0.209 nan 8.270 nan 0.000 0.434 352 V N 1.455 121.269 119.914 -0.168 0.000 2.295 352 V HA -0.252 3.863 4.120 -0.008 0.000 0.246 352 V C 2.444 178.382 176.094 -0.259 0.000 1.049 352 V CA 1.740 63.936 62.300 -0.173 0.000 1.024 352 V CB -0.444 31.274 31.823 -0.176 0.000 0.648 352 V HN 0.345 nan 8.190 nan 0.000 0.447 353 L N -0.510 120.490 121.223 -0.371 0.000 2.046 353 L HA -0.142 4.193 4.340 -0.008 0.000 0.208 353 L C 2.410 179.101 176.870 -0.300 0.000 1.077 353 L CA 1.225 55.779 54.840 -0.476 0.000 0.747 353 L CB -0.625 41.099 42.059 -0.558 0.000 0.896 353 L HN 0.220 nan 8.230 nan 0.000 0.432 354 V N -0.557 119.221 119.914 -0.226 0.000 2.300 354 V HA -0.189 3.926 4.120 -0.008 0.000 0.241 354 V C 1.990 178.045 176.094 -0.065 0.000 1.034 354 V CA 1.710 63.939 62.300 -0.117 0.000 1.021 354 V CB -0.396 31.385 31.823 -0.069 0.000 0.662 354 V HN 0.344 nan 8.190 nan 0.000 0.458 355 D N -0.019 120.340 120.400 -0.069 0.000 2.149 355 D HA -0.028 4.607 4.640 -0.008 0.000 0.201 355 D C 2.028 178.307 176.300 -0.035 0.000 0.972 355 D CA 1.188 55.165 54.000 -0.038 0.000 0.835 355 D CB 0.046 40.822 40.800 -0.041 0.000 0.966 355 D HN 0.335 nan 8.370 nan 0.000 0.476 356 L N 0.126 121.314 121.223 -0.059 0.000 2.349 356 L HA 0.104 4.439 4.340 -0.008 0.000 0.200 356 L C 1.913 178.763 176.870 -0.034 0.000 1.064 356 L CA 0.450 55.267 54.840 -0.039 0.000 0.821 356 L CB -0.051 41.986 42.059 -0.038 0.000 1.027 356 L HN -0.201 nan 8.230 nan 0.000 0.476 357 E N 0.498 120.647 120.200 -0.085 0.000 2.435 357 E HA -0.017 4.328 4.350 -0.008 0.000 0.195 357 E C 0.166 176.748 176.600 -0.030 0.000 1.029 357 E CA 0.040 56.407 56.400 -0.055 0.000 0.865 357 E CB 0.223 29.792 29.700 -0.217 0.000 0.833 357 E HN 0.189 nan 8.360 nan 0.000 0.510 358 R N -0.459 120.013 120.500 -0.047 0.000 3.776 358 R HA -0.166 4.169 4.340 -0.008 0.000 0.312 358 R C -0.035 176.257 176.300 -0.013 0.000 1.181 358 R CA 0.319 56.410 56.100 -0.015 0.000 0.836 358 R CB -2.897 27.412 30.300 0.015 0.000 1.324 358 R HN 0.218 nan 8.270 nan 0.000 0.501 359 L N 1.962 123.149 121.223 -0.060 0.000 2.439 359 L HA 0.180 4.515 4.340 -0.008 0.000 0.261 359 L C 1.376 178.240 176.870 -0.009 0.000 1.153 359 L CA -0.307 54.507 54.840 -0.044 0.000 0.808 359 L CB 0.474 42.462 42.059 -0.119 0.000 1.126 359 L HN 0.114 nan 8.230 nan 0.000 0.460 360 D N 0.504 120.921 120.400 0.029 0.000 2.339 360 D HA -0.112 4.523 4.640 -0.008 0.000 0.245 360 D C 0.879 177.246 176.300 0.110 0.000 1.115 360 D CA -0.537 53.514 54.000 0.085 0.000 0.917 360 D CB 1.163 42.018 40.800 0.091 0.000 1.192 360 D HN 0.640 nan 8.370 nan 0.000 0.428 361 W N 2.358 123.657 121.300 -0.002 0.000 2.290 361 W HA -0.282 4.373 4.660 -0.008 0.000 0.328 361 W C 1.033 177.591 176.519 0.064 0.000 1.272 361 W CA 2.187 59.537 57.345 0.009 0.000 1.262 361 W CB -0.354 29.091 29.460 -0.024 0.000 1.151 361 W HN 0.474 nan 8.180 nan 0.000 0.473 362 D N 0.124 120.726 120.400 0.337 0.000 2.133 362 D HA -0.210 4.425 4.640 -0.008 0.000 0.195 362 D C 2.053 178.447 176.300 0.156 0.000 0.997 362 D CA 1.545 55.709 54.000 0.274 0.000 0.840 362 D CB -0.500 40.435 40.800 0.225 0.000 0.947 362 D HN 0.078 nan 8.370 nan 0.000 0.452 363 K N 0.989 121.440 120.400 0.086 0.000 2.025 363 K HA -0.004 4.311 4.320 -0.008 0.000 0.207 363 K C 1.967 178.548 176.600 -0.031 0.000 1.049 363 K CA 1.092 57.401 56.287 0.037 0.000 0.933 363 K CB -0.413 32.105 32.500 0.030 0.000 0.714 363 K HN 0.044 nan 8.250 nan 0.000 0.438 364 A N 0.821 123.578 122.820 -0.105 0.000 1.902 364 A HA -0.189 4.126 4.320 -0.008 0.000 0.217 364 A C 2.176 179.650 177.584 -0.184 0.000 1.181 364 A CA 1.358 53.262 52.037 -0.223 0.000 0.623 364 A CB -1.078 17.725 19.000 -0.329 0.000 0.818 364 A HN 0.670 nan 8.150 nan 0.000 0.443 365 W N 0.654 121.726 121.300 -0.380 0.000 2.363 365 W HA -0.159 4.496 4.660 -0.008 0.000 0.296 365 W C 1.942 178.386 176.519 -0.124 0.000 1.212 365 W CA 1.756 58.926 57.345 -0.292 0.000 1.260 365 W CB -0.069 29.254 29.460 -0.228 0.000 1.131 365 W HN 0.600 nan 8.180 nan 0.000 0.530 366 E N 0.104 120.283 120.200 -0.035 0.000 2.051 366 E HA -0.223 4.122 4.350 -0.008 0.000 0.192 366 E C 2.057 178.568 176.600 -0.149 0.000 0.991 366 E CA 1.914 58.260 56.400 -0.090 0.000 0.799 366 E CB -0.295 29.411 29.700 0.011 0.000 0.748 366 E HN 0.062 nan 8.360 nan 0.000 0.449 367 V N 0.762 120.601 119.914 -0.124 0.000 2.295 367 V HA -0.266 3.849 4.120 -0.008 0.000 0.246 367 V C 2.408 178.420 176.094 -0.136 0.000 1.049 367 V CA 2.199 64.441 62.300 -0.097 0.000 1.024 367 V CB -0.828 30.915 31.823 -0.134 0.000 0.648 367 V HN 0.369 nan 8.190 nan 0.000 0.447 368 T N 0.107 114.509 114.554 -0.255 0.000 2.652 368 T HA -0.182 4.163 4.350 -0.008 0.000 0.267 368 T C 1.956 176.465 174.700 -0.319 0.000 1.039 368 T CA 1.792 63.718 62.100 -0.289 0.000 1.153 368 T CB -0.319 68.327 68.868 -0.370 0.000 0.863 368 T HN 0.280 nan 8.240 nan 0.000 0.428 369 V N 1.473 121.078 119.914 -0.516 0.000 2.343 369 V HA -0.172 3.943 4.120 -0.008 0.000 0.247 369 V C 2.304 178.345 176.094 -0.089 0.000 1.051 369 V CA 1.624 63.684 62.300 -0.400 0.000 1.036 369 V CB -0.507 31.003 31.823 -0.522 0.000 0.654 369 V HN 0.483 nan 8.190 nan 0.000 0.451 370 K N -0.523 119.806 120.400 -0.117 0.000 2.439 370 K HA -0.056 4.259 4.320 -0.008 0.000 0.197 370 K C 1.984 178.538 176.600 -0.078 0.000 1.041 370 K CA 1.351 57.547 56.287 -0.152 0.000 0.970 370 K CB -0.126 32.291 32.500 -0.138 0.000 0.773 370 K HN 0.476 nan 8.250 nan 0.000 0.479 371 T N 0.076 114.657 114.554 0.044 0.000 3.010 371 T HA 0.044 4.389 4.350 -0.008 0.000 0.252 371 T C 0.889 175.700 174.700 0.184 0.000 1.047 371 T CA 0.259 62.425 62.100 0.111 0.000 1.140 371 T CB 0.147 69.110 68.868 0.159 0.000 0.885 371 T HN 0.161 nan 8.240 nan 0.000 0.464 372 C N 2.434 121.822 119.300 0.148 0.000 2.405 372 C HA 0.885 5.340 4.460 -0.008 0.000 0.365 372 C C 0.593 175.631 174.990 0.081 0.000 1.233 372 C CA -1.236 57.846 59.018 0.108 0.000 2.230 372 C CB 0.083 27.825 27.740 0.003 0.000 2.443 372 C HN 0.592 nan 8.230 nan 0.000 0.556 373 A N 1.880 124.741 122.820 0.068 0.000 2.486 373 A HA 0.750 5.065 4.320 -0.008 0.000 0.300 373 A C -1.525 176.124 177.584 0.108 0.000 1.048 373 A CA -0.413 51.614 52.037 -0.016 0.000 0.696 373 A CB 1.023 20.049 19.000 0.044 0.000 1.278 373 A HN 0.950 nan 8.150 nan 0.000 0.405 374 Y N 1.141 121.385 120.300 -0.093 0.000 2.376 374 Y HA 0.659 5.204 4.550 -0.008 0.000 0.340 374 Y C -0.517 175.360 175.900 -0.038 0.000 0.965 374 Y CA -0.299 57.760 58.100 -0.068 0.000 1.078 374 Y CB 2.099 40.479 38.460 -0.133 0.000 1.193 374 Y HN 0.569 nan 8.280 nan 0.000 0.452 375 T N 6.560 120.851 114.554 -0.438 0.000 2.779 375 T HA 0.206 4.551 4.350 -0.008 0.000 0.280 375 T C -0.890 173.287 174.700 -0.871 0.000 0.987 375 T CA -0.833 60.954 62.100 -0.521 0.000 0.966 375 T CB 0.507 69.314 68.868 -0.101 0.000 0.933 375 T HN 0.662 nan 8.240 nan 0.000 0.442 376 N N 1.698 119.912 118.700 -0.809 0.000 2.473 376 N HA 0.154 4.889 4.740 -0.008 0.000 0.291 376 N C -0.040 175.270 175.510 -0.332 0.000 1.083 376 N CA -0.375 52.419 53.050 -0.427 0.000 0.951 376 N CB 0.865 39.304 38.487 -0.081 0.000 1.164 376 N HN 0.667 nan 8.380 nan 0.000 0.480 377 H N 0.904 119.989 119.070 0.024 0.000 2.893 377 H HA 0.180 4.731 4.556 -0.009 0.000 0.270 377 H C -0.229 175.011 175.328 -0.148 0.000 1.095 377 H CA -0.037 55.974 56.048 -0.062 0.000 1.186 377 H CB 1.065 30.801 29.762 -0.043 0.000 1.562 377 H HN 0.540 nan 8.280 nan 0.000 0.536 378 T N 0.293 114.863 114.554 0.026 0.000 2.893 378 T HA 0.185 4.530 4.350 -0.008 0.000 0.337 378 T C 0.453 175.165 174.700 0.020 0.000 1.587 378 T CA -0.376 61.694 62.100 -0.050 0.000 1.066 378 T CB 1.185 70.008 68.868 -0.075 0.000 1.414 378 T HN -0.042 nan 8.240 nan 0.000 0.488 379 V N 1.620 121.517 119.914 -0.029 0.000 3.578 379 V HA 0.538 4.653 4.120 -0.008 0.000 0.290 379 V C 0.679 176.736 176.094 -0.063 0.000 1.376 379 V CA -0.115 62.153 62.300 -0.054 0.000 1.083 379 V CB -0.132 31.657 31.823 -0.056 0.000 0.911 379 V HN 0.725 nan 8.190 nan 0.000 0.433 380 I N 4.023 124.550 120.570 -0.072 0.000 2.517 380 I HA 0.201 4.366 4.170 -0.008 0.000 0.285 380 I C -0.434 175.681 176.117 -0.004 0.000 1.106 380 I CA -1.946 59.336 61.300 -0.030 0.000 1.402 380 I CB 0.869 38.841 38.000 -0.046 0.000 1.399 380 I HN 0.166 nan 8.210 nan 0.000 0.535 381 P HA -0.215 nan 4.420 nan 0.000 0.216 381 P C 1.041 178.341 177.300 0.001 0.000 1.153 381 P CA 1.486 64.589 63.100 0.005 0.000 0.858 381 P CB 0.094 31.805 31.700 0.019 0.000 0.789 382 E N 0.529 120.766 120.200 0.061 0.000 2.333 382 E HA -0.107 4.238 4.350 -0.008 0.000 0.198 382 E C 1.725 178.298 176.600 -0.046 0.000 1.007 382 E CA 1.363 57.796 56.400 0.055 0.000 0.845 382 E CB -0.824 29.084 29.700 0.348 0.000 0.766 382 E HN 0.246 nan 8.360 nan 0.000 0.507 383 A N 0.710 123.536 122.820 0.010 0.000 2.195 383 A HA 0.208 4.523 4.320 -0.008 0.000 0.210 383 A C 0.949 178.514 177.584 -0.031 0.000 1.165 383 A CA -0.284 51.770 52.037 0.028 0.000 0.806 383 A CB -0.014 19.026 19.000 0.067 0.000 0.847 383 A HN 0.116 nan 8.150 nan 0.000 0.482 384 L N 1.525 122.686 121.223 -0.104 0.000 2.453 384 L HA 0.135 4.470 4.340 -0.008 0.000 0.272 384 L C 0.319 176.867 176.870 -0.537 0.000 1.182 384 L CA 0.390 55.113 54.840 -0.194 0.000 0.858 384 L CB 0.300 42.276 42.059 -0.138 0.000 1.120 384 L HN 0.289 nan 8.230 nan 0.000 0.474 385 E N 4.307 124.109 120.200 -0.664 0.000 2.180 385 E HA 0.259 4.604 4.350 -0.008 0.000 0.283 385 E C -0.429 175.528 176.600 -1.072 0.000 1.061 385 E CA -0.154 55.404 56.400 -1.404 0.000 0.861 385 E CB 0.543 29.772 29.700 -0.784 0.000 1.056 385 E HN 0.332 nan 8.360 nan 0.000 0.407 386 R N 3.676 123.377 120.500 -1.331 0.000 2.607 386 R HA 0.174 4.509 4.340 -0.008 0.000 0.278 386 R C -1.277 174.839 176.300 -0.305 0.000 1.637 386 R CA -0.559 55.217 56.100 -0.539 0.000 1.325 386 R CB 0.705 30.812 30.300 -0.322 0.000 1.211 386 R HN 0.460 nan 8.270 nan 0.000 0.565 387 W N 4.054 125.302 121.300 -0.086 0.000 2.253 387 W HA 0.224 4.879 4.660 -0.008 0.000 0.322 387 W C -1.897 174.599 176.519 -0.038 0.000 1.342 387 W CA -1.922 55.446 57.345 0.039 0.000 1.218 387 W CB 0.468 29.926 29.460 -0.003 0.000 1.205 387 W HN 0.221 nan 8.180 nan 0.000 0.551 388 P HA -0.069 nan 4.420 nan 0.000 0.267 388 P C 0.777 177.995 177.300 -0.136 0.000 1.205 388 P CA 0.141 63.196 63.100 -0.075 0.000 0.765 388 P CB 0.783 32.272 31.700 -0.351 0.000 0.828 389 V N 3.313 123.199 119.914 -0.046 0.000 2.392 389 V HA -0.288 3.827 4.120 -0.008 0.000 0.249 389 V C 2.087 178.179 176.094 -0.005 0.000 1.059 389 V CA 2.508 64.807 62.300 -0.001 0.000 1.051 389 V CB -1.762 30.123 31.823 0.104 0.000 0.658 389 V HN 0.756 nan 8.190 nan 0.000 0.455 390 H N -1.163 117.965 119.070 0.097 0.000 2.489 390 H HA -0.108 4.443 4.556 -0.008 0.000 0.293 390 H C 1.839 177.216 175.328 0.082 0.000 1.066 390 H CA 1.540 57.640 56.048 0.087 0.000 1.305 390 H CB -0.431 29.384 29.762 0.087 0.000 1.386 390 H HN 0.351 nan 8.280 nan 0.000 0.551 391 L N 0.196 121.315 121.223 -0.174 0.000 2.068 391 L HA 0.060 4.395 4.340 -0.008 0.000 0.204 391 L C 2.209 179.047 176.870 -0.052 0.000 1.076 391 L CA 1.150 55.974 54.840 -0.026 0.000 0.753 391 L CB -0.458 41.573 42.059 -0.046 0.000 0.910 391 L HN 0.369 nan 8.230 nan 0.000 0.439 392 L N -1.007 120.154 121.223 -0.103 0.000 2.141 392 L HA -0.182 4.153 4.340 -0.008 0.000 0.209 392 L C 2.424 179.233 176.870 -0.102 0.000 1.094 392 L CA 1.067 55.812 54.840 -0.157 0.000 0.763 392 L CB -0.437 41.514 42.059 -0.181 0.000 0.908 392 L HN 0.365 nan 8.230 nan 0.000 0.437 393 E N -0.335 119.848 120.200 -0.028 0.000 2.110 393 E HA -0.197 4.148 4.350 -0.008 0.000 0.193 393 E C 1.853 178.489 176.600 0.061 0.000 0.988 393 E CA 1.735 58.149 56.400 0.024 0.000 0.804 393 E CB 0.192 29.944 29.700 0.088 0.000 0.745 393 E HN 0.399 nan 8.360 nan 0.000 0.458 394 T N 0.418 115.030 114.554 0.096 0.000 2.939 394 T HA -0.033 4.312 4.350 -0.008 0.000 0.254 394 T C 1.629 176.440 174.700 0.185 0.000 1.041 394 T CA 0.476 62.682 62.100 0.177 0.000 1.142 394 T CB -0.027 68.978 68.868 0.229 0.000 0.874 394 T HN 0.069 nan 8.240 nan 0.000 0.452 395 L N 0.140 121.371 121.223 0.013 0.000 2.162 395 L HA 0.382 4.717 4.340 -0.008 0.000 0.205 395 L C 0.292 177.097 176.870 -0.109 0.000 1.086 395 L CA 1.536 56.266 54.840 -0.184 0.000 0.778 395 L CB 0.092 42.000 42.059 -0.251 0.000 0.928 395 L HN 0.153 nan 8.230 nan 0.000 0.446 396 L N 0.846 121.967 121.223 -0.170 0.000 2.551 396 L HA 0.295 4.630 4.340 -0.008 0.000 0.248 396 L C -1.665 175.024 176.870 -0.301 0.000 1.509 396 L CA -0.924 53.728 54.840 -0.312 0.000 0.842 396 L CB 0.898 42.625 42.059 -0.554 0.000 1.087 396 L HN -0.073 nan 8.230 nan 0.000 0.512 397 P HA -0.232 nan 4.420 nan 0.000 0.216 397 P C 1.431 178.536 177.300 -0.326 0.000 1.150 397 P CA 1.304 64.281 63.100 -0.205 0.000 0.843 397 P CB 0.426 32.078 31.700 -0.079 0.000 0.787 398 R N -0.349 119.774 120.500 -0.629 0.000 2.090 398 R HA -0.120 4.215 4.340 -0.008 0.000 0.228 398 R C 2.377 178.371 176.300 -0.510 0.000 1.110 398 R CA 1.574 57.315 56.100 -0.599 0.000 0.973 398 R CB -1.593 28.187 30.300 -0.867 0.000 0.869 398 R HN 0.255 nan 8.270 nan 0.000 0.440 399 H N -0.375 118.384 119.070 -0.518 0.000 2.387 399 H HA -0.043 4.508 4.556 -0.008 0.000 0.299 399 H C 1.779 176.932 175.328 -0.292 0.000 1.090 399 H CA 1.594 57.420 56.048 -0.369 0.000 1.332 399 H CB -0.094 29.411 29.762 -0.428 0.000 1.386 399 H HN 0.091 nan 8.280 nan 0.000 0.516 400 L N 0.476 121.571 121.223 -0.213 0.000 2.046 400 L HA -0.235 4.100 4.340 -0.008 0.000 0.208 400 L C 1.873 178.551 176.870 -0.320 0.000 1.077 400 L CA 1.536 56.186 54.840 -0.317 0.000 0.747 400 L CB -0.252 41.637 42.059 -0.284 0.000 0.896 400 L HN 0.450 nan 8.230 nan 0.000 0.432 401 Q N -0.272 119.445 119.800 -0.139 0.000 2.084 401 Q HA -0.230 4.105 4.340 -0.008 0.000 0.202 401 Q C 2.181 178.195 176.000 0.024 0.000 0.978 401 Q CA 1.601 57.414 55.803 0.016 0.000 0.844 401 Q CB -0.097 28.657 28.738 0.026 0.000 0.898 401 Q HN 0.564 nan 8.270 nan 0.000 0.426 402 I N 0.539 121.100 120.570 -0.014 0.000 2.286 402 I HA -0.273 3.892 4.170 -0.008 0.000 0.248 402 I C 2.188 178.374 176.117 0.115 0.000 1.115 402 I CA 1.076 62.447 61.300 0.118 0.000 1.392 402 I CB -0.200 37.817 38.000 0.029 0.000 1.065 402 I HN 0.201 nan 8.210 nan 0.000 0.418 403 I N -0.470 120.086 120.570 -0.022 0.000 2.315 403 I HA -0.305 3.860 4.170 -0.008 0.000 0.248 403 I C 2.401 178.530 176.117 0.019 0.000 1.117 403 I CA 1.363 62.639 61.300 -0.040 0.000 1.404 403 I CB -0.361 37.545 38.000 -0.156 0.000 1.071 403 I HN 0.151 nan 8.210 nan 0.000 0.419 404 Y N 0.864 121.164 120.300 -0.001 0.000 2.181 404 Y HA -0.255 4.290 4.550 -0.008 0.000 0.288 404 Y C 2.595 178.455 175.900 -0.066 0.000 1.146 404 Y CA 1.445 59.531 58.100 -0.023 0.000 1.164 404 Y CB -0.717 37.722 38.460 -0.034 0.000 0.982 404 Y HN 0.185 nan 8.280 nan 0.000 0.515 405 E N 0.421 120.653 120.200 0.053 0.000 2.072 405 E HA -0.138 4.207 4.350 -0.008 0.000 0.191 405 E C 2.057 178.564 176.600 -0.154 0.000 0.985 405 E CA 1.261 57.545 56.400 -0.193 0.000 0.801 405 E CB -0.530 28.868 29.700 -0.503 0.000 0.750 405 E HN 0.472 nan 8.360 nan 0.000 0.452 406 I N 0.626 121.209 120.570 0.021 0.000 2.179 406 I HA -0.281 3.884 4.170 -0.008 0.000 0.242 406 I C 2.281 178.396 176.117 -0.004 0.000 1.088 406 I CA 1.400 62.668 61.300 -0.054 0.000 1.357 406 I CB -0.427 37.541 38.000 -0.052 0.000 1.051 406 I HN 0.215 nan 8.210 nan 0.000 0.409 407 N N 0.808 119.554 118.700 0.077 0.000 2.069 407 N HA -0.272 4.463 4.740 -0.008 0.000 0.191 407 N C 1.873 177.465 175.510 0.137 0.000 1.031 407 N CA 1.611 54.757 53.050 0.160 0.000 0.852 407 N CB -0.136 38.463 38.487 0.187 0.000 1.018 407 N HN 0.285 nan 8.380 nan 0.000 0.423 408 Q N -0.130 119.696 119.800 0.043 0.000 2.030 408 Q HA -0.112 4.223 4.340 -0.008 0.000 0.204 408 Q C 2.076 178.057 176.000 -0.032 0.000 0.986 408 Q CA 1.571 57.362 55.803 -0.019 0.000 0.843 408 Q CB 0.011 28.694 28.738 -0.091 0.000 0.904 408 Q HN 0.379 nan 8.270 nan 0.000 0.420 409 R N -0.813 119.647 120.500 -0.067 0.000 2.092 409 R HA -0.119 4.216 4.340 -0.008 0.000 0.231 409 R C 2.148 178.472 176.300 0.040 0.000 1.119 409 R CA 1.248 57.309 56.100 -0.065 0.000 0.970 409 R CB -0.349 29.864 30.300 -0.146 0.000 0.864 409 R HN 0.269 nan 8.270 nan 0.000 0.440 410 F N 1.508 121.433 119.950 -0.042 0.000 2.113 410 F HA -0.102 4.420 4.527 -0.008 0.000 0.297 410 F C 1.808 177.632 175.800 0.042 0.000 1.103 410 F CA 1.349 59.374 58.000 0.040 0.000 1.248 410 F CB -0.173 38.882 39.000 0.091 0.000 0.999 410 F HN -0.113 nan 8.300 nan 0.000 0.475 411 L N -0.067 121.162 121.223 0.010 0.000 2.201 411 L HA -0.212 4.123 4.340 -0.008 0.000 0.212 411 L C 1.947 178.749 176.870 -0.113 0.000 1.105 411 L CA 1.385 56.170 54.840 -0.091 0.000 0.775 411 L CB -0.846 41.226 42.059 0.020 0.000 0.913 411 L HN 0.253 nan 8.230 nan 0.000 0.440 412 N N -0.299 118.353 118.700 -0.081 0.000 2.244 412 N HA -0.125 4.610 4.740 -0.008 0.000 0.183 412 N C 1.904 177.357 175.510 -0.095 0.000 1.016 412 N CA 0.536 53.541 53.050 -0.074 0.000 0.866 412 N CB 0.095 38.545 38.487 -0.061 0.000 0.980 412 N HN 0.298 nan 8.380 nan 0.000 0.430 413 R N 0.495 120.915 120.500 -0.133 0.000 2.062 413 R HA -0.025 4.310 4.340 -0.008 0.000 0.229 413 R C 2.190 178.381 176.300 -0.181 0.000 1.128 413 R CA 0.850 56.864 56.100 -0.143 0.000 0.960 413 R CB -0.333 29.877 30.300 -0.149 0.000 0.855 413 R HN 0.063 nan 8.270 nan 0.000 0.432 414 V N 1.155 120.908 119.914 -0.269 0.000 2.295 414 V HA -0.250 3.865 4.120 -0.008 0.000 0.246 414 V C 2.466 178.547 176.094 -0.021 0.000 1.049 414 V CA 1.999 64.209 62.300 -0.149 0.000 1.024 414 V CB -0.778 30.900 31.823 -0.242 0.000 0.648 414 V HN 0.404 nan 8.190 nan 0.000 0.447 415 A N 0.018 122.803 122.820 -0.059 0.000 1.940 415 A HA -0.141 4.174 4.320 -0.008 0.000 0.219 415 A C 2.388 179.946 177.584 -0.043 0.000 1.176 415 A CA 2.199 54.219 52.037 -0.028 0.000 0.631 415 A CB -0.713 18.262 19.000 -0.041 0.000 0.814 415 A HN 0.592 nan 8.150 nan 0.000 0.446 416 A N -0.591 122.183 122.820 -0.077 0.000 1.968 416 A HA 0.294 4.609 4.320 -0.008 0.000 0.217 416 A C 2.395 179.886 177.584 -0.155 0.000 1.169 416 A CA 1.731 53.711 52.037 -0.094 0.000 0.638 416 A CB -0.701 18.248 19.000 -0.086 0.000 0.812 416 A HN 0.971 nan 8.150 nan 0.000 0.446 417 A N -1.581 121.100 122.820 -0.232 0.000 1.975 417 A HA 0.355 4.670 4.320 -0.008 0.000 0.215 417 A C 0.463 177.598 177.584 -0.748 0.000 1.170 417 A CA 0.557 52.288 52.037 -0.510 0.000 0.656 417 A CB -0.176 18.437 19.000 -0.645 0.000 0.821 417 A HN 0.414 nan 8.150 nan 0.000 0.449 418 F N -0.047 119.856 119.950 -0.079 0.000 2.523 418 F HA 0.351 4.873 4.527 -0.008 0.000 0.322 418 F C -2.767 172.995 175.800 -0.062 0.000 1.361 418 F CA -2.948 55.010 58.000 -0.069 0.000 1.151 418 F CB 0.677 39.627 39.000 -0.083 0.000 1.391 418 F HN -0.068 nan 8.300 nan 0.000 0.566 419 P HA 0.161 nan 4.420 nan 0.000 0.261 419 P C 1.015 178.335 177.300 0.033 0.000 1.183 419 P CA 1.169 64.280 63.100 0.019 0.000 0.761 419 P CB 0.774 32.466 31.700 -0.012 0.000 0.785 420 G N 2.753 111.565 108.800 0.020 0.000 2.234 420 G HA2 -0.252 3.703 3.960 -0.008 0.000 0.260 420 G HA3 -0.252 3.703 3.960 -0.008 0.000 0.260 420 G C 0.383 175.292 174.900 0.015 0.000 0.987 420 G CA 0.061 45.170 45.100 0.014 0.000 0.625 420 G HN 0.604 nan 8.290 nan 0.000 0.532 421 D N 1.505 121.923 120.400 0.029 0.000 2.551 421 D HA 0.374 5.009 4.640 -0.008 0.000 0.223 421 D C 2.109 178.400 176.300 -0.015 0.000 1.144 421 D CA 0.414 54.416 54.000 0.003 0.000 1.025 421 D CB 0.390 41.190 40.800 -0.001 0.000 1.085 421 D HN 0.624 nan 8.370 nan 0.000 0.506 422 V N 0.640 120.546 119.914 -0.013 0.000 2.515 422 V HA -0.143 3.972 4.120 -0.008 0.000 0.250 422 V C 1.468 177.550 176.094 -0.020 0.000 1.058 422 V CA 1.227 63.519 62.300 -0.014 0.000 1.064 422 V CB -0.207 31.611 31.823 -0.008 0.000 0.675 422 V HN 0.147 nan 8.190 nan 0.000 0.461 423 D N 0.589 120.973 120.400 -0.026 0.000 2.178 423 D HA -0.129 4.506 4.640 -0.008 0.000 0.202 423 D C 2.278 178.550 176.300 -0.047 0.000 0.974 423 D CA 1.665 55.648 54.000 -0.027 0.000 0.841 423 D CB -0.307 40.476 40.800 -0.028 0.000 0.953 423 D HN 0.529 nan 8.370 nan 0.000 0.478 424 R N 0.126 120.575 120.500 -0.086 0.000 2.096 424 R HA -0.117 4.218 4.340 -0.008 0.000 0.235 424 R C 1.967 178.202 176.300 -0.107 0.000 1.127 424 R CA 0.671 56.684 56.100 -0.145 0.000 0.968 424 R CB -0.176 29.978 30.300 -0.243 0.000 0.861 424 R HN 0.044 nan 8.270 nan 0.000 0.440 425 L N 1.452 122.637 121.223 -0.063 0.000 2.012 425 L HA -0.201 4.134 4.340 -0.008 0.000 0.210 425 L C 2.593 179.469 176.870 0.010 0.000 1.073 425 L CA 2.109 56.931 54.840 -0.031 0.000 0.748 425 L CB -0.816 41.233 42.059 -0.016 0.000 0.891 425 L HN 0.291 nan 8.230 nan 0.000 0.431 426 R N -0.818 119.692 120.500 0.017 0.000 2.092 426 R HA -0.102 4.233 4.340 -0.008 0.000 0.231 426 R C 2.227 178.577 176.300 0.082 0.000 1.119 426 R CA 1.128 57.258 56.100 0.050 0.000 0.970 426 R CB -0.546 29.777 30.300 0.039 0.000 0.864 426 R HN 0.234 nan 8.270 nan 0.000 0.440 427 R N 0.364 120.894 120.500 0.051 0.000 2.092 427 R HA 0.041 4.376 4.340 -0.008 0.000 0.231 427 R C 2.182 178.556 176.300 0.124 0.000 1.119 427 R CA 1.832 57.984 56.100 0.087 0.000 0.970 427 R CB -0.199 30.113 30.300 0.020 0.000 0.864 427 R HN 0.343 nan 8.270 nan 0.000 0.440 428 M N 0.275 119.874 119.600 -0.001 0.000 2.556 428 M HA 0.041 4.516 4.480 -0.008 0.000 0.245 428 M C 0.872 177.320 176.300 0.247 0.000 1.128 428 M CA 0.011 55.266 55.300 -0.074 0.000 1.069 428 M CB 0.396 32.802 32.600 -0.322 0.000 1.469 428 M HN -0.075 nan 8.290 nan 0.000 0.494 429 S N 0.729 116.585 115.700 0.260 0.000 2.563 429 S HA 0.032 4.497 4.470 -0.008 0.000 0.284 429 S C 0.950 175.795 174.600 0.408 0.000 1.331 429 S CA -0.360 58.020 58.200 0.301 0.000 1.047 429 S CB 0.666 63.988 63.200 0.203 0.000 0.859 429 S HN 0.240 nan 8.310 nan 0.000 0.514 430 L N 4.994 126.409 121.223 0.320 0.000 2.313 430 L HA 0.210 4.545 4.340 -0.008 0.000 0.214 430 L C 0.364 177.336 176.870 0.171 0.000 1.119 430 L CA 0.767 55.755 54.840 0.247 0.000 0.809 430 L CB -0.293 41.856 42.059 0.151 0.000 0.933 430 L HN 0.474 nan 8.230 nan 0.000 0.449 431 V N 0.197 120.225 119.914 0.191 0.000 2.370 431 V HA 0.212 4.327 4.120 -0.008 0.000 0.279 431 V C 0.036 176.215 176.094 0.142 0.000 1.029 431 V CA -0.863 61.538 62.300 0.168 0.000 0.870 431 V CB 1.225 33.185 31.823 0.229 0.000 0.984 431 V HN 0.157 nan 8.190 nan 0.000 0.451 432 E N 3.323 123.586 120.200 0.106 0.000 2.156 432 E HA 0.427 4.772 4.350 -0.008 0.000 0.279 432 E C -0.646 176.004 176.600 0.083 0.000 0.965 432 E CA -0.566 55.888 56.400 0.089 0.000 0.789 432 E CB 2.108 31.841 29.700 0.055 0.000 1.098 432 E HN 0.618 nan 8.360 nan 0.000 0.397 433 E N 0.964 121.211 120.200 0.078 0.000 2.385 433 E HA 0.599 4.944 4.350 -0.008 0.000 0.254 433 E C 0.313 176.950 176.600 0.062 0.000 1.228 433 E CA 0.619 57.060 56.400 0.069 0.000 0.956 433 E CB 1.042 30.777 29.700 0.058 0.000 1.116 433 E HN 0.650 nan 8.360 nan 0.000 0.507 434 G N -0.906 107.929 108.800 0.057 0.000 2.298 434 G HA2 0.162 4.117 3.960 -0.008 0.000 0.309 434 G HA3 0.162 4.117 3.960 -0.008 0.000 0.309 434 G C 0.591 175.525 174.900 0.057 0.000 1.279 434 G CA 0.237 45.369 45.100 0.053 0.000 1.042 434 G HN 0.703 nan 8.290 nan 0.000 0.480 435 A N -0.870 121.984 122.820 0.056 0.000 1.883 435 A HA 0.216 4.531 4.320 -0.008 0.000 0.222 435 A C 1.895 179.524 177.584 0.075 0.000 1.339 435 A CA 4.843 56.915 52.037 0.059 0.000 0.692 435 A CB -1.312 17.724 19.000 0.060 0.000 0.845 435 A HN 2.500 nan 8.150 nan 0.000 0.467 436 V N -3.559 116.410 119.914 0.091 0.000 2.604 436 V HA 0.586 4.701 4.120 -0.008 0.000 0.305 436 V C -0.531 175.631 176.094 0.114 0.000 1.043 436 V CA -1.386 60.988 62.300 0.124 0.000 0.888 436 V CB 1.698 33.625 31.823 0.173 0.000 0.995 436 V HN 0.364 nan 8.190 nan 0.000 0.429 437 K N 3.937 124.412 120.400 0.125 0.000 2.326 437 K HA 0.505 4.820 4.320 -0.008 0.000 0.275 437 K C -0.414 176.246 176.600 0.101 0.000 1.018 437 K CA -0.176 56.179 56.287 0.114 0.000 0.962 437 K CB 0.916 33.497 32.500 0.136 0.000 0.953 437 K HN 0.750 nan 8.250 nan 0.000 0.475 438 R N 1.401 121.950 120.500 0.082 0.000 2.836 438 R HA 0.490 4.825 4.340 -0.008 0.000 0.269 438 R C -0.663 175.668 176.300 0.051 0.000 1.010 438 R CA -1.027 55.109 56.100 0.060 0.000 0.930 438 R CB 1.291 31.609 30.300 0.031 0.000 1.218 438 R HN 0.358 nan 8.270 nan 0.000 0.473 439 I N 1.884 122.480 120.570 0.043 0.000 2.339 439 I HA 0.170 4.335 4.170 -0.008 0.000 0.290 439 I C -0.238 175.857 176.117 -0.037 0.000 0.994 439 I CA -0.756 60.557 61.300 0.022 0.000 1.191 439 I CB 1.225 39.238 38.000 0.022 0.000 1.343 439 I HN 0.515 nan 8.210 nan 0.000 0.458 440 N N 7.136 125.782 118.700 -0.089 0.000 2.402 440 N HA 0.091 4.826 4.740 -0.008 0.000 0.252 440 N C 0.814 176.210 175.510 -0.189 0.000 1.118 440 N CA -0.325 52.587 53.050 -0.231 0.000 0.945 440 N CB 0.978 39.176 38.487 -0.481 0.000 1.147 440 N HN 0.377 nan 8.380 nan 0.000 0.495 441 M N 2.457 121.954 119.600 -0.173 0.000 2.296 441 M HA -0.057 4.418 4.480 -0.008 0.000 0.265 441 M C 1.891 178.040 176.300 -0.252 0.000 1.064 441 M CA 0.657 55.873 55.300 -0.140 0.000 1.109 441 M CB -1.492 31.076 32.600 -0.054 0.000 1.396 441 M HN 0.605 nan 8.290 nan 0.000 0.430 442 A N -0.493 122.166 122.820 -0.268 0.000 1.898 442 A HA -0.157 4.158 4.320 -0.008 0.000 0.216 442 A C 1.969 179.301 177.584 -0.420 0.000 1.181 442 A CA 1.350 53.180 52.037 -0.345 0.000 0.620 442 A CB -1.074 17.919 19.000 -0.012 0.000 0.819 442 A HN 0.589 nan 8.150 nan 0.000 0.442 443 H N -1.474 117.357 119.070 -0.398 0.000 2.389 443 H HA -0.093 4.457 4.556 -0.008 0.000 0.299 443 H C 2.077 177.162 175.328 -0.406 0.000 1.081 443 H CA 1.069 56.839 56.048 -0.464 0.000 1.345 443 H CB -0.004 29.704 29.762 -0.090 0.000 1.393 443 H HN 0.431 nan 8.280 nan 0.000 0.520 444 L N 0.630 121.757 121.223 -0.160 0.000 2.046 444 L HA -0.160 4.175 4.340 -0.008 0.000 0.208 444 L C 2.227 178.956 176.870 -0.235 0.000 1.077 444 L CA 1.411 56.160 54.840 -0.151 0.000 0.747 444 L CB -0.710 41.292 42.059 -0.095 0.000 0.896 444 L HN 0.290 nan 8.230 nan 0.000 0.432 445 C N -0.428 118.632 119.300 -0.401 0.000 2.429 445 C HA -0.108 4.347 4.460 -0.008 0.000 0.277 445 C C 2.712 177.441 174.990 -0.435 0.000 1.262 445 C CA 0.908 59.617 59.018 -0.514 0.000 1.733 445 C CB -0.898 26.177 27.740 -1.109 0.000 2.010 445 C HN 0.602 nan 8.230 nan 0.000 0.483 446 I N 1.321 121.579 120.570 -0.520 0.000 2.252 446 I HA -0.178 3.987 4.170 -0.008 0.000 0.245 446 I C 2.748 178.702 176.117 -0.271 0.000 1.102 446 I CA 1.574 62.611 61.300 -0.439 0.000 1.385 446 I CB -0.556 37.026 38.000 -0.698 0.000 1.064 446 I HN 0.259 nan 8.210 nan 0.000 0.414 447 A N 0.614 123.245 122.820 -0.315 0.000 1.933 447 A HA -0.086 4.229 4.320 -0.008 0.000 0.218 447 A C 2.187 179.810 177.584 0.066 0.000 1.175 447 A CA 1.835 53.737 52.037 -0.225 0.000 0.628 447 A CB -1.102 17.587 19.000 -0.518 0.000 0.814 447 A HN 0.473 nan 8.150 nan 0.000 0.444 448 G N -1.080 107.699 108.800 -0.035 0.000 3.371 448 G HA2 0.424 4.379 3.960 -0.008 0.000 0.248 448 G HA3 0.424 4.379 3.960 -0.008 0.000 0.248 448 G C 0.017 174.752 174.900 -0.275 0.000 1.161 448 G CA 0.423 45.378 45.100 -0.240 0.000 0.796 448 G HN 0.324 nan 8.290 nan 0.000 0.539 449 S N -0.252 115.338 115.700 -0.185 0.000 2.526 449 S HA 0.315 4.780 4.470 -0.008 0.000 0.293 449 S C 0.712 175.248 174.600 -0.107 0.000 1.092 449 S CA -0.726 57.390 58.200 -0.140 0.000 0.980 449 S CB 1.253 64.373 63.200 -0.134 0.000 1.048 449 S HN 0.509 nan 8.310 nan 0.000 0.483 450 H N 0.061 119.083 119.070 -0.080 0.000 2.548 450 H HA 0.485 5.036 4.556 -0.008 0.000 0.268 450 H C 0.151 175.450 175.328 -0.048 0.000 0.975 450 H CA 0.270 56.295 56.048 -0.038 0.000 1.195 450 H CB 0.136 29.895 29.762 -0.004 0.000 1.397 450 H HN 0.506 nan 8.280 nan 0.000 0.572 451 A N 0.973 123.476 122.820 -0.528 0.000 2.488 451 A HA 0.562 4.877 4.320 -0.008 0.000 0.298 451 A C -1.405 175.974 177.584 -0.341 0.000 1.044 451 A CA -0.577 51.207 52.037 -0.421 0.000 0.693 451 A CB 2.247 20.965 19.000 -0.470 0.000 1.272 451 A HN 0.096 nan 8.150 nan 0.000 0.402 452 V N 4.114 123.797 119.914 -0.386 0.000 2.577 452 V HA 0.563 4.678 4.120 -0.008 0.000 0.303 452 V C -0.796 175.122 176.094 -0.295 0.000 1.042 452 V CA -0.747 61.333 62.300 -0.366 0.000 0.872 452 V CB 1.865 33.325 31.823 -0.606 0.000 0.998 452 V HN 1.030 nan 8.190 nan 0.000 0.423 453 N N 3.029 121.577 118.700 -0.253 0.000 2.229 453 N HA 0.601 5.336 4.740 -0.008 0.000 0.298 453 N C -0.319 175.099 175.510 -0.153 0.000 1.114 453 N CA -0.377 52.565 53.050 -0.181 0.000 0.776 453 N CB 2.849 41.204 38.487 -0.220 0.000 1.501 453 N HN 0.648 nan 8.380 nan 0.000 0.474 454 G N -0.764 107.981 108.800 -0.091 0.000 2.522 454 G HA2 0.423 4.378 3.960 -0.008 0.000 0.304 454 G HA3 0.423 4.378 3.960 -0.008 0.000 0.304 454 G C 0.767 175.740 174.900 0.122 0.000 1.210 454 G CA -0.530 44.565 45.100 -0.008 0.000 0.960 454 G HN 0.640 nan 8.290 nan 0.000 0.497 455 V N -3.411 116.695 119.914 0.321 0.000 3.376 455 V HA 0.692 4.807 4.120 -0.008 0.000 0.313 455 V C 0.559 176.740 176.094 0.145 0.000 1.393 455 V CA 0.297 62.694 62.300 0.161 0.000 1.125 455 V CB -0.823 31.057 31.823 0.096 0.000 1.037 455 V HN 1.321 nan 8.190 nan 0.000 0.440 456 A N -0.098 122.817 122.820 0.159 0.000 2.594 456 A HA 0.627 4.942 4.320 -0.008 0.000 0.296 456 A C 0.687 178.325 177.584 0.089 0.000 1.061 456 A CA -0.135 51.972 52.037 0.117 0.000 0.689 456 A CB 1.223 20.281 19.000 0.097 0.000 1.280 456 A HN 0.038 nan 8.150 nan 0.000 0.406 457 R N 1.012 121.543 120.500 0.052 0.000 2.096 457 R HA -0.174 4.161 4.340 -0.008 0.000 0.240 457 R C 1.669 177.970 176.300 0.001 0.000 1.139 457 R CA 2.353 58.461 56.100 0.013 0.000 0.952 457 R CB -0.237 30.065 30.300 0.004 0.000 0.854 457 R HN 0.830 nan 8.270 nan 0.000 0.436 458 I N 0.201 120.781 120.570 0.017 0.000 2.286 458 I HA -0.291 3.874 4.170 -0.008 0.000 0.248 458 I C 2.342 178.469 176.117 0.018 0.000 1.115 458 I CA 1.832 63.134 61.300 0.003 0.000 1.392 458 I CB -0.226 37.776 38.000 0.004 0.000 1.065 458 I HN 0.346 nan 8.210 nan 0.000 0.418 459 H N 0.300 119.342 119.070 -0.046 0.000 2.326 459 H HA -0.119 4.432 4.556 -0.009 0.000 0.301 459 H C 2.273 177.563 175.328 -0.063 0.000 1.081 459 H CA 2.190 58.204 56.048 -0.057 0.000 1.334 459 H CB -0.305 29.429 29.762 -0.045 0.000 1.385 459 H HN 0.238 nan 8.280 nan 0.000 0.504 460 S N 0.329 115.907 115.700 -0.203 0.000 2.382 460 S HA -0.129 4.336 4.470 -0.008 0.000 0.228 460 S C 1.896 176.372 174.600 -0.208 0.000 1.027 460 S CA 1.245 59.304 58.200 -0.235 0.000 0.991 460 S CB -0.078 63.060 63.200 -0.103 0.000 0.823 460 S HN 0.484 nan 8.310 nan 0.000 0.469 461 E N 1.144 121.246 120.200 -0.162 0.000 2.072 461 E HA 0.020 4.365 4.350 -0.008 0.000 0.190 461 E C 2.025 178.507 176.600 -0.196 0.000 0.982 461 E CA 0.623 56.919 56.400 -0.174 0.000 0.803 461 E CB -0.360 29.270 29.700 -0.117 0.000 0.755 461 E HN 0.506 nan 8.360 nan 0.000 0.453 462 I N 1.001 121.469 120.570 -0.170 0.000 2.361 462 I HA -0.266 3.899 4.170 -0.008 0.000 0.251 462 I C 2.372 178.355 176.117 -0.223 0.000 1.133 462 I CA 0.745 61.949 61.300 -0.160 0.000 1.413 462 I CB -0.230 37.708 38.000 -0.102 0.000 1.073 462 I HN 0.063 nan 8.210 nan 0.000 0.424 463 L N 0.430 121.475 121.223 -0.296 0.000 2.046 463 L HA -0.223 4.112 4.340 -0.008 0.000 0.208 463 L C 2.478 179.201 176.870 -0.244 0.000 1.077 463 L CA 1.572 56.227 54.840 -0.308 0.000 0.747 463 L CB -0.544 41.384 42.059 -0.219 0.000 0.896 463 L HN 0.200 nan 8.230 nan 0.000 0.432 464 K N 0.020 120.220 120.400 -0.332 0.000 2.217 464 K HA -0.103 4.212 4.320 -0.008 0.000 0.202 464 K C 1.957 178.359 176.600 -0.330 0.000 1.051 464 K CA 0.895 56.868 56.287 -0.524 0.000 0.952 464 K CB 0.070 32.019 32.500 -0.918 0.000 0.736 464 K HN 0.314 nan 8.250 nan 0.000 0.453 465 K N 0.006 120.265 120.400 -0.234 0.000 2.314 465 K HA -0.013 4.302 4.320 -0.008 0.000 0.198 465 K C 1.817 178.362 176.600 -0.093 0.000 1.045 465 K CA 1.310 57.514 56.287 -0.139 0.000 0.988 465 K CB 0.481 32.910 32.500 -0.119 0.000 0.783 465 K HN 0.247 nan 8.250 nan 0.000 0.484 466 T N -1.503 112.985 114.554 -0.110 0.000 3.257 466 T HA 0.122 4.467 4.350 -0.008 0.000 0.176 466 T C 1.722 176.384 174.700 -0.065 0.000 0.892 466 T CA -0.431 61.621 62.100 -0.080 0.000 1.147 466 T CB -0.712 68.102 68.868 -0.090 0.000 1.840 466 T HN 0.007 nan 8.240 nan 0.000 0.375 467 I N 0.343 120.819 120.570 -0.157 0.000 2.185 467 I HA -0.079 4.086 4.170 -0.008 0.000 0.246 467 I C 0.975 177.105 176.117 0.021 0.000 1.088 467 I CA 1.790 62.965 61.300 -0.208 0.000 1.347 467 I CB -0.085 37.580 38.000 -0.558 0.000 1.041 467 I HN 0.428 nan 8.210 nan 0.000 0.415 468 F N -0.187 119.823 119.950 0.100 0.000 2.735 468 F HA 0.177 4.699 4.527 -0.008 0.000 0.304 468 F C 1.768 177.635 175.800 0.112 0.000 1.119 468 F CA -0.588 57.538 58.000 0.208 0.000 1.280 468 F CB 0.091 39.210 39.000 0.198 0.000 0.994 468 F HN -0.083 nan 8.300 nan 0.000 0.520 469 K N 1.133 121.640 120.400 0.177 0.000 2.044 469 K HA -0.223 4.092 4.320 -0.008 0.000 0.210 469 K C 1.381 178.032 176.600 0.086 0.000 1.049 469 K CA 2.269 58.603 56.287 0.079 0.000 0.927 469 K CB -0.025 32.489 32.500 0.025 0.000 0.713 469 K HN 0.152 nan 8.250 nan 0.000 0.443 470 D N -0.142 120.280 120.400 0.037 0.000 2.123 470 D HA -0.171 4.464 4.640 -0.008 0.000 0.196 470 D C 1.829 178.034 176.300 -0.159 0.000 0.992 470 D CA 1.292 55.188 54.000 -0.174 0.000 0.833 470 D CB -0.291 40.305 40.800 -0.341 0.000 0.954 470 D HN 0.258 nan 8.370 nan 0.000 0.455 471 F N -0.169 119.850 119.950 0.116 0.000 2.186 471 F HA -0.140 4.382 4.527 -0.008 0.000 0.299 471 F C 2.331 178.281 175.800 0.249 0.000 1.090 471 F CA 0.472 58.617 58.000 0.243 0.000 1.307 471 F CB -0.625 38.577 39.000 0.336 0.000 1.019 471 F HN -0.030 nan 8.300 nan 0.000 0.489 472 Y N 1.472 121.762 120.300 -0.017 0.000 2.200 472 Y HA -0.180 4.365 4.550 -0.008 0.000 0.290 472 Y C 2.073 177.984 175.900 0.018 0.000 1.137 472 Y CA 1.591 59.531 58.100 -0.266 0.000 1.163 472 Y CB -0.614 37.506 38.460 -0.567 0.000 0.988 472 Y HN 0.142 nan 8.280 nan 0.000 0.518 473 E N -0.122 120.035 120.200 -0.071 0.000 2.204 473 E HA -0.178 4.167 4.350 -0.008 0.000 0.194 473 E C 2.203 178.872 176.600 0.114 0.000 0.989 473 E CA 0.931 57.298 56.400 -0.055 0.000 0.824 473 E CB -0.164 29.546 29.700 0.017 0.000 0.756 473 E HN 0.454 nan 8.360 nan 0.000 0.477 474 L N 0.749 122.077 121.223 0.176 0.000 2.095 474 L HA -0.024 4.311 4.340 -0.008 0.000 0.204 474 L C 0.177 177.149 176.870 0.170 0.000 1.080 474 L CA 1.410 56.391 54.840 0.235 0.000 0.759 474 L CB 0.240 42.436 42.059 0.228 0.000 0.914 474 L HN 0.016 nan 8.230 nan 0.000 0.439 475 E N 0.231 120.532 120.200 0.168 0.000 3.132 475 E HA 0.159 4.504 4.350 -0.008 0.000 0.241 475 E C -1.906 174.663 176.600 -0.051 0.000 1.196 475 E CA -1.360 55.068 56.400 0.047 0.000 0.869 475 E CB 1.074 30.776 29.700 0.003 0.000 1.387 475 E HN 0.201 nan 8.360 nan 0.000 0.393 476 P HA -0.256 nan 4.420 nan 0.000 0.216 476 P C 1.215 178.624 177.300 0.181 0.000 1.150 476 P CA 1.453 64.499 63.100 -0.090 0.000 0.837 476 P CB -0.028 31.501 31.700 -0.285 0.000 0.786 477 H N 0.376 119.545 119.070 0.164 0.000 2.489 477 H HA 0.020 4.571 4.556 -0.008 0.000 0.295 477 H C 1.456 176.868 175.328 0.139 0.000 1.082 477 H CA 0.915 57.048 56.048 0.143 0.000 1.295 477 H CB -0.837 28.981 29.762 0.094 0.000 1.380 477 H HN 0.192 nan 8.280 nan 0.000 0.548 478 K N 0.226 120.480 120.400 -0.242 0.000 2.228 478 K HA 0.049 4.364 4.320 -0.008 0.000 0.202 478 K C -0.102 176.321 176.600 -0.295 0.000 1.051 478 K CA 0.151 56.283 56.287 -0.257 0.000 0.960 478 K CB 0.112 32.354 32.500 -0.430 0.000 0.743 478 K HN 0.100 nan 8.250 nan 0.000 0.458 479 F N 1.963 121.940 119.950 0.045 0.000 2.445 479 F HA 0.150 4.672 4.527 -0.009 0.000 0.359 479 F C 0.556 176.362 175.800 0.010 0.000 1.101 479 F CA -0.037 57.995 58.000 0.055 0.000 1.177 479 F CB 0.809 39.898 39.000 0.148 0.000 1.110 479 F HN -0.092 nan 8.300 nan 0.000 0.522 480 Q N 1.818 121.641 119.800 0.039 0.000 2.605 480 Q HA 0.374 4.709 4.340 -0.008 0.000 0.296 480 Q C -1.151 174.811 176.000 -0.064 0.000 1.056 480 Q CA -1.277 54.508 55.803 -0.030 0.000 0.778 480 Q CB 3.098 31.765 28.738 -0.119 0.000 1.497 480 Q HN 0.631 nan 8.270 nan 0.000 0.443 481 N N 0.607 119.250 118.700 -0.094 0.000 2.238 481 N HA 0.292 5.027 4.740 -0.008 0.000 0.302 481 N C -1.541 173.876 175.510 -0.156 0.000 1.072 481 N CA -0.411 52.582 53.050 -0.095 0.000 0.792 481 N CB 1.154 39.608 38.487 -0.056 0.000 1.425 481 N HN 0.279 nan 8.380 nan 0.000 0.478 482 K N 2.686 122.999 120.400 -0.145 0.000 2.723 482 K HA 0.185 4.500 4.320 -0.008 0.000 0.229 482 K C -0.989 175.622 176.600 0.019 0.000 1.022 482 K CA -0.473 55.702 56.287 -0.188 0.000 1.045 482 K CB 1.214 33.379 32.500 -0.559 0.000 1.227 482 K HN 0.557 nan 8.250 nan 0.000 0.516 483 T N 2.023 116.605 114.554 0.046 0.000 2.902 483 T HA 0.059 4.404 4.350 -0.008 0.000 0.301 483 T C 0.814 175.642 174.700 0.214 0.000 1.012 483 T CA 0.363 62.541 62.100 0.130 0.000 1.151 483 T CB 0.329 69.274 68.868 0.128 0.000 0.946 483 T HN 0.352 nan 8.240 nan 0.000 0.542 484 N N 0.490 119.339 118.700 0.248 0.000 2.297 484 N HA 0.422 5.157 4.740 -0.008 0.000 0.232 484 N C 0.455 176.153 175.510 0.312 0.000 1.311 484 N CA -0.200 53.029 53.050 0.299 0.000 0.897 484 N CB 0.395 39.000 38.487 0.196 0.000 1.137 484 N HN 0.760 nan 8.380 nan 0.000 0.449 485 G N -0.679 108.311 108.800 0.317 0.000 2.649 485 G HA2 0.595 4.550 3.960 -0.008 0.000 0.290 485 G HA3 0.595 4.550 3.960 -0.008 0.000 0.290 485 G C -1.450 173.582 174.900 0.220 0.000 1.426 485 G CA -0.727 44.545 45.100 0.286 0.000 0.794 485 G HN 0.591 nan 8.290 nan 0.000 0.483 486 I N -2.276 118.408 120.570 0.191 0.000 2.828 486 I HA 0.729 4.894 4.170 -0.008 0.000 0.302 486 I C -0.244 176.026 176.117 0.255 0.000 1.101 486 I CA -0.943 60.459 61.300 0.170 0.000 1.031 486 I CB 2.413 40.404 38.000 -0.015 0.000 1.231 486 I HN 0.498 nan 8.210 nan 0.000 0.427 487 T N 4.540 119.298 114.554 0.340 0.000 2.814 487 T HA 0.324 4.669 4.350 -0.008 0.000 0.297 487 T C -1.315 173.503 174.700 0.197 0.000 0.956 487 T CA -1.522 60.708 62.100 0.216 0.000 1.123 487 T CB 0.741 69.685 68.868 0.127 0.000 0.902 487 T HN 0.646 nan 8.240 nan 0.000 0.528 488 P HA 0.027 nan 4.420 nan 0.000 0.233 488 P C 1.024 178.292 177.300 -0.055 0.000 1.167 488 P CA 0.431 63.566 63.100 0.058 0.000 0.770 488 P CB 0.379 32.098 31.700 0.032 0.000 0.837 489 R N 0.371 120.793 120.500 -0.131 0.000 2.056 489 R HA 0.008 4.343 4.340 -0.008 0.000 0.227 489 R C 2.774 178.952 176.300 -0.203 0.000 1.149 489 R CA 1.457 57.437 56.100 -0.200 0.000 0.937 489 R CB -0.886 29.302 30.300 -0.187 0.000 0.835 489 R HN 0.031 nan 8.270 nan 0.000 0.430 490 R N -0.434 119.888 120.500 -0.296 0.000 2.075 490 R HA -0.120 4.215 4.340 -0.008 0.000 0.232 490 R C 0.990 176.903 176.300 -0.645 0.000 1.126 490 R CA 1.554 57.318 56.100 -0.561 0.000 0.963 490 R CB -0.107 29.683 30.300 -0.850 0.000 0.858 490 R HN 0.302 nan 8.270 nan 0.000 0.435 491 W N -0.099 121.157 121.300 -0.073 0.000 3.405 491 W HA 0.147 4.802 4.660 -0.009 0.000 0.300 491 W C 0.939 177.427 176.519 -0.051 0.000 1.286 491 W CA -0.648 56.653 57.345 -0.074 0.000 1.762 491 W CB 0.385 29.803 29.460 -0.068 0.000 1.087 491 W HN 0.231 nan 8.180 nan 0.000 0.703 492 L N -2.383 118.886 121.223 0.076 0.000 2.376 492 L HA 0.179 4.514 4.340 -0.008 0.000 0.153 492 L C 1.734 178.619 176.870 0.025 0.000 1.272 492 L CA 0.746 55.634 54.840 0.079 0.000 1.005 492 L CB -0.857 41.277 42.059 0.124 0.000 2.027 492 L HN -0.256 nan 8.230 nan 0.000 0.495 493 V N 1.280 121.187 119.914 -0.012 0.000 2.287 493 V HA -0.276 3.839 4.120 -0.008 0.000 0.248 493 V C 2.458 178.523 176.094 -0.049 0.000 1.053 493 V CA 2.536 64.818 62.300 -0.030 0.000 1.027 493 V CB -0.696 31.078 31.823 -0.082 0.000 0.646 493 V HN 0.521 nan 8.190 nan 0.000 0.447 494 L N 0.493 121.655 121.223 -0.101 0.000 2.023 494 L HA -0.177 4.158 4.340 -0.008 0.000 0.205 494 L C 2.495 179.298 176.870 -0.113 0.000 1.073 494 L CA 2.365 57.130 54.840 -0.125 0.000 0.745 494 L CB -0.272 41.663 42.059 -0.207 0.000 0.900 494 L HN 0.654 nan 8.230 nan 0.000 0.435 495 C N -1.565 117.660 119.300 -0.126 0.000 2.563 495 C HA 0.190 4.645 4.460 -0.008 0.000 0.268 495 C C 1.169 176.139 174.990 -0.032 0.000 1.365 495 C CA -0.271 58.694 59.018 -0.089 0.000 1.754 495 C CB -1.085 26.597 27.740 -0.096 0.000 1.932 495 C HN 0.606 nan 8.230 nan 0.000 0.536 496 N N 1.095 119.788 118.700 -0.012 0.000 2.687 496 N HA 0.266 5.001 4.740 -0.008 0.000 0.275 496 N C -1.662 173.860 175.510 0.020 0.000 1.789 496 N CA -1.545 51.511 53.050 0.010 0.000 0.806 496 N CB 0.759 39.261 38.487 0.026 0.000 1.256 496 N HN 0.248 nan 8.380 nan 0.000 0.500 497 P HA -0.072 nan 4.420 nan 0.000 0.218 497 P C 1.400 178.718 177.300 0.030 0.000 1.148 497 P CA 0.986 64.098 63.100 0.020 0.000 0.822 497 P CB 0.247 31.951 31.700 0.007 0.000 0.784 498 G N 0.751 109.564 108.800 0.022 0.000 2.446 498 G HA2 -0.259 3.696 3.960 -0.008 0.000 0.217 498 G HA3 -0.259 3.696 3.960 -0.008 0.000 0.217 498 G C 1.549 176.464 174.900 0.025 0.000 1.168 498 G CA 0.796 45.907 45.100 0.019 0.000 0.771 498 G HN 0.262 nan 8.290 nan 0.000 0.551 499 L N 1.263 122.502 121.223 0.027 0.000 2.056 499 L HA 0.258 4.593 4.340 -0.008 0.000 0.207 499 L C 3.050 179.958 176.870 0.063 0.000 1.078 499 L CA 1.996 56.854 54.840 0.030 0.000 0.749 499 L CB -0.709 41.366 42.059 0.027 0.000 0.901 499 L HN 0.233 nan 8.230 nan 0.000 0.433 500 A N -0.815 122.060 122.820 0.092 0.000 1.933 500 A HA -0.238 4.077 4.320 -0.008 0.000 0.218 500 A C 2.235 179.915 177.584 0.161 0.000 1.175 500 A CA 1.737 53.877 52.037 0.172 0.000 0.628 500 A CB -0.625 18.471 19.000 0.160 0.000 0.814 500 A HN 0.532 nan 8.150 nan 0.000 0.444 501 E N 0.751 121.009 120.200 0.096 0.000 2.028 501 E HA -0.159 4.186 4.350 -0.008 0.000 0.191 501 E C 1.857 178.498 176.600 0.068 0.000 0.988 501 E CA 1.600 58.046 56.400 0.076 0.000 0.799 501 E CB -0.522 29.206 29.700 0.047 0.000 0.755 501 E HN 0.733 nan 8.360 nan 0.000 0.447 502 I N -1.704 118.905 120.570 0.066 0.000 2.454 502 I HA -0.140 4.025 4.170 -0.008 0.000 0.254 502 I C 2.111 178.292 176.117 0.106 0.000 1.156 502 I CA 1.118 62.472 61.300 0.090 0.000 1.433 502 I CB -0.342 37.719 38.000 0.101 0.000 1.082 502 I HN 0.027 nan 8.210 nan 0.000 0.432 503 I N 1.864 122.476 120.570 0.070 0.000 2.233 503 I HA -0.145 4.020 4.170 -0.008 0.000 0.243 503 I C 3.024 179.083 176.117 -0.096 0.000 1.093 503 I CA 1.198 62.460 61.300 -0.062 0.000 1.380 503 I CB -0.453 37.407 38.000 -0.233 0.000 1.067 503 I HN 0.281 nan 8.210 nan 0.000 0.413 504 A N 0.594 123.454 122.820 0.066 0.000 1.933 504 A HA -0.227 4.088 4.320 -0.008 0.000 0.218 504 A C 2.147 179.754 177.584 0.040 0.000 1.175 504 A CA 1.597 53.725 52.037 0.152 0.000 0.628 504 A CB -0.616 18.507 19.000 0.205 0.000 0.814 504 A HN 0.444 nan 8.150 nan 0.000 0.444 505 E N -0.579 119.624 120.200 0.005 0.000 2.171 505 E HA -0.225 4.120 4.350 -0.008 0.000 0.197 505 E C 2.169 178.720 176.600 -0.081 0.000 0.997 505 E CA 1.384 57.769 56.400 -0.024 0.000 0.810 505 E CB -0.147 29.541 29.700 -0.020 0.000 0.738 505 E HN 0.601 nan 8.360 nan 0.000 0.467 506 R N -0.015 120.378 120.500 -0.180 0.000 2.175 506 R HA 0.145 4.480 4.340 -0.008 0.000 0.202 506 R C 2.173 178.379 176.300 -0.156 0.000 1.018 506 R CA 0.698 56.623 56.100 -0.292 0.000 1.029 506 R CB 0.287 30.108 30.300 -0.799 0.000 0.959 506 R HN 0.266 nan 8.270 nan 0.000 0.480 507 I N -3.400 117.105 120.570 -0.109 0.000 4.147 507 I HA 0.452 4.617 4.170 -0.008 0.000 0.329 507 I C 0.351 176.507 176.117 0.065 0.000 1.424 507 I CA -0.189 61.104 61.300 -0.011 0.000 1.127 507 I CB 1.058 39.042 38.000 -0.026 0.000 1.128 507 I HN 0.136 nan 8.210 nan 0.000 0.417 508 G N 3.256 112.103 108.800 0.079 0.000 2.660 508 G HA2 -0.234 3.721 3.960 -0.008 0.000 0.247 508 G HA3 -0.234 3.721 3.960 -0.008 0.000 0.247 508 G C 0.129 175.157 174.900 0.214 0.000 1.328 508 G CA 0.173 45.342 45.100 0.114 0.000 0.884 508 G HN 0.695 nan 8.290 nan 0.000 0.531 509 E N -0.957 119.321 120.200 0.130 0.000 2.498 509 E HA 0.245 4.590 4.350 -0.008 0.000 0.203 509 E C 1.418 177.961 176.600 -0.095 0.000 1.013 509 E CA 0.370 56.788 56.400 0.029 0.000 0.927 509 E CB 0.285 29.991 29.700 0.009 0.000 1.012 509 E HN 0.412 nan 8.360 nan 0.000 0.482 510 E N 1.152 121.372 120.200 0.033 0.000 2.209 510 E HA -0.198 4.147 4.350 -0.008 0.000 0.196 510 E C 1.604 178.199 176.600 -0.008 0.000 0.993 510 E CA 1.341 57.754 56.400 0.022 0.000 0.819 510 E CB -0.171 29.567 29.700 0.064 0.000 0.745 510 E HN 0.660 nan 8.360 nan 0.000 0.477 511 Y N -0.890 119.416 120.300 0.010 0.000 2.333 511 Y HA -0.064 4.482 4.550 -0.007 0.000 0.290 511 Y C 1.980 177.859 175.900 -0.034 0.000 1.144 511 Y CA 0.630 58.728 58.100 -0.004 0.000 1.228 511 Y CB -0.842 37.620 38.460 0.002 0.000 0.985 511 Y HN -0.084 nan 8.280 nan 0.000 0.542 512 I N 1.002 121.065 120.570 -0.846 0.000 2.423 512 I HA -0.247 3.918 4.170 -0.008 0.000 0.254 512 I C 1.638 177.498 176.117 -0.428 0.000 1.151 512 I CA 1.850 62.725 61.300 -0.707 0.000 1.421 512 I CB -0.403 37.098 38.000 -0.832 0.000 1.079 512 I HN 0.505 nan 8.210 nan 0.000 0.431 513 S N -2.216 113.346 115.700 -0.231 0.000 2.730 513 S HA 0.178 4.643 4.470 -0.008 0.000 0.244 513 S C 0.149 174.735 174.600 -0.023 0.000 1.022 513 S CA -0.496 57.646 58.200 -0.097 0.000 1.014 513 S CB 0.395 63.614 63.200 0.032 0.000 0.963 513 S HN 0.291 nan 8.310 nan 0.000 0.540 514 D N 0.678 121.073 120.400 -0.009 0.000 3.118 514 D HA 0.208 4.843 4.640 -0.008 0.000 0.259 514 D C 0.397 176.741 176.300 0.073 0.000 1.292 514 D CA -0.365 53.653 54.000 0.030 0.000 0.784 514 D CB 0.312 41.135 40.800 0.038 0.000 1.413 514 D HN 0.098 nan 8.370 nan 0.000 0.583 515 L N 1.121 122.388 121.223 0.073 0.000 2.261 515 L HA -0.060 4.275 4.340 -0.008 0.000 0.216 515 L C 1.429 178.354 176.870 0.092 0.000 1.114 515 L CA 1.647 56.561 54.840 0.123 0.000 0.777 515 L CB -0.099 42.023 42.059 0.104 0.000 0.910 515 L HN 0.275 nan 8.230 nan 0.000 0.440 516 D N -0.855 119.575 120.400 0.050 0.000 2.309 516 D HA -0.203 4.432 4.640 -0.008 0.000 0.212 516 D C 1.892 178.215 176.300 0.039 0.000 0.968 516 D CA 0.748 54.763 54.000 0.025 0.000 0.882 516 D CB 0.066 40.868 40.800 0.003 0.000 0.918 516 D HN 0.568 nan 8.370 nan 0.000 0.503 517 Q N -0.076 119.766 119.800 0.070 0.000 2.437 517 Q HA -0.011 4.324 4.340 -0.008 0.000 0.210 517 Q C 2.172 178.196 176.000 0.040 0.000 0.972 517 Q CA 0.165 56.010 55.803 0.070 0.000 0.903 517 Q CB 0.101 28.910 28.738 0.118 0.000 0.967 517 Q HN 0.377 nan 8.270 nan 0.000 0.486 518 L N 0.244 121.485 121.223 0.029 0.000 2.353 518 L HA -0.152 4.183 4.340 -0.008 0.000 0.220 518 L C 2.066 178.939 176.870 0.005 0.000 1.133 518 L CA 0.753 55.578 54.840 -0.025 0.000 0.798 518 L CB -0.274 41.778 42.059 -0.010 0.000 0.922 518 L HN 0.209 nan 8.230 nan 0.000 0.445 519 R N 0.272 120.782 120.500 0.018 0.000 2.193 519 R HA -0.138 4.197 4.340 -0.008 0.000 0.229 519 R C 1.864 178.174 176.300 0.018 0.000 1.110 519 R CA 0.731 56.842 56.100 0.019 0.000 0.988 519 R CB -0.235 30.071 30.300 0.009 0.000 0.871 519 R HN 0.406 nan 8.270 nan 0.000 0.458 520 K N 0.775 121.186 120.400 0.019 0.000 2.362 520 K HA -0.043 4.272 4.320 -0.008 0.000 0.200 520 K C 1.758 178.401 176.600 0.071 0.000 1.046 520 K CA 0.693 56.997 56.287 0.027 0.000 0.952 520 K CB -0.011 32.512 32.500 0.038 0.000 0.753 520 K HN 0.207 nan 8.250 nan 0.000 0.466 521 L N 0.724 121.991 121.223 0.074 0.000 2.465 521 L HA -0.068 4.267 4.340 -0.008 0.000 0.224 521 L C 1.874 178.837 176.870 0.155 0.000 1.145 521 L CA 0.374 55.299 54.840 0.142 0.000 0.834 521 L CB -0.237 41.872 42.059 0.083 0.000 0.944 521 L HN 0.176 nan 8.230 nan 0.000 0.451 522 L N -0.317 120.948 121.223 0.071 0.000 2.275 522 L HA -0.143 4.192 4.340 -0.008 0.000 0.215 522 L C 2.504 179.366 176.870 -0.013 0.000 1.119 522 L CA 1.163 56.029 54.840 0.044 0.000 0.790 522 L CB -0.351 41.717 42.059 0.016 0.000 0.919 522 L HN 0.389 nan 8.230 nan 0.000 0.443 523 S N -2.037 113.598 115.700 -0.108 0.000 2.603 523 S HA -0.064 4.401 4.470 -0.008 0.000 0.220 523 S C 1.079 175.417 174.600 -0.437 0.000 0.967 523 S CA 0.206 58.237 58.200 -0.282 0.000 0.920 523 S CB -0.256 62.704 63.200 -0.399 0.000 0.773 523 S HN 0.423 nan 8.310 nan 0.000 0.529 524 Y N -0.273 119.993 120.300 -0.057 0.000 2.481 524 Y HA 0.426 4.974 4.550 -0.003 0.000 0.247 524 Y C 1.950 177.921 175.900 0.119 0.000 1.151 524 Y CA -0.662 57.413 58.100 -0.042 0.000 1.238 524 Y CB 0.115 38.387 38.460 -0.314 0.000 1.179 524 Y HN 0.251 nan 8.280 nan 0.000 0.524 525 V N 0.447 120.478 119.914 0.194 0.000 2.688 525 V HA -0.231 3.884 4.120 -0.008 0.000 0.256 525 V C 0.917 177.089 176.094 0.129 0.000 1.084 525 V CA 2.345 64.746 62.300 0.169 0.000 1.103 525 V CB -0.015 31.863 31.823 0.092 0.000 0.688 525 V HN 0.318 nan 8.190 nan 0.000 0.480 526 D N -0.786 119.673 120.400 0.098 0.000 2.398 526 D HA 0.123 4.758 4.640 -0.008 0.000 0.210 526 D C 0.458 176.815 176.300 0.094 0.000 1.094 526 D CA 0.007 54.050 54.000 0.073 0.000 0.839 526 D CB 0.025 40.844 40.800 0.032 0.000 0.963 526 D HN 0.466 nan 8.370 nan 0.000 0.506 527 D N 1.463 121.958 120.400 0.159 0.000 2.338 527 D HA -0.041 4.594 4.640 -0.008 0.000 0.255 527 D C 1.154 177.560 176.300 0.176 0.000 1.237 527 D CA 0.051 54.165 54.000 0.189 0.000 0.883 527 D CB 1.453 42.446 40.800 0.322 0.000 1.087 527 D HN -0.173 nan 8.370 nan 0.000 0.485 528 E N 3.340 123.609 120.200 0.114 0.000 2.153 528 E HA -0.158 4.187 4.350 -0.008 0.000 0.194 528 E C 1.712 178.366 176.600 0.090 0.000 0.988 528 E CA 1.400 57.850 56.400 0.084 0.000 0.811 528 E CB -0.008 29.725 29.700 0.055 0.000 0.746 528 E HN 0.596 nan 8.360 nan 0.000 0.466 529 A N -0.255 122.634 122.820 0.115 0.000 1.855 529 A HA -0.134 4.181 4.320 -0.008 0.000 0.215 529 A C 2.253 179.927 177.584 0.150 0.000 1.191 529 A CA 1.321 53.424 52.037 0.109 0.000 0.613 529 A CB -1.021 18.043 19.000 0.107 0.000 0.829 529 A HN 0.448 nan 8.150 nan 0.000 0.442 530 F N 0.467 120.425 119.950 0.014 0.000 2.102 530 F HA -0.174 4.348 4.527 -0.008 0.000 0.298 530 F C 2.089 177.891 175.800 0.003 0.000 1.105 530 F CA 1.581 59.573 58.000 -0.014 0.000 1.239 530 F CB -0.106 38.890 39.000 -0.007 0.000 0.991 530 F HN 0.164 nan 8.300 nan 0.000 0.474 531 I N 0.181 120.771 120.570 0.033 0.000 2.194 531 I HA -0.363 3.802 4.170 -0.008 0.000 0.246 531 I C 2.552 178.610 176.117 -0.099 0.000 1.093 531 I CA 1.667 62.926 61.300 -0.068 0.000 1.355 531 I CB -0.512 37.501 38.000 0.021 0.000 1.046 531 I HN 0.129 nan 8.210 nan 0.000 0.413 532 R N 0.881 121.355 120.500 -0.045 0.000 2.075 532 R HA -0.172 4.162 4.340 -0.008 0.000 0.232 532 R C 1.876 178.132 176.300 -0.073 0.000 1.126 532 R CA 1.742 57.816 56.100 -0.044 0.000 0.963 532 R CB -0.081 30.213 30.300 -0.010 0.000 0.858 532 R HN 0.296 nan 8.270 nan 0.000 0.435 533 D N -0.313 120.033 120.400 -0.090 0.000 2.117 533 D HA -0.119 4.516 4.640 -0.008 0.000 0.198 533 D C 1.946 178.142 176.300 -0.174 0.000 0.982 533 D CA 1.186 55.127 54.000 -0.099 0.000 0.828 533 D CB -0.222 40.550 40.800 -0.046 0.000 0.967 533 D HN 0.077 nan 8.370 nan 0.000 0.464 534 V N 1.656 121.368 119.914 -0.336 0.000 2.287 534 V HA -0.268 3.847 4.120 -0.008 0.000 0.248 534 V C 2.546 178.546 176.094 -0.156 0.000 1.053 534 V CA 1.998 64.100 62.300 -0.329 0.000 1.027 534 V CB -0.824 30.711 31.823 -0.480 0.000 0.646 534 V HN 0.195 nan 8.190 nan 0.000 0.447 535 A N -0.762 121.984 122.820 -0.123 0.000 1.969 535 A HA -0.234 4.081 4.320 -0.008 0.000 0.218 535 A C 2.353 179.898 177.584 -0.065 0.000 1.169 535 A CA 1.996 53.992 52.037 -0.068 0.000 0.635 535 A CB -0.441 18.522 19.000 -0.062 0.000 0.810 535 A HN 0.529 nan 8.150 nan 0.000 0.445 536 K N 0.211 120.571 120.400 -0.067 0.000 2.057 536 K HA -0.110 4.205 4.320 -0.008 0.000 0.206 536 K C 1.969 178.545 176.600 -0.040 0.000 1.050 536 K CA 1.736 57.994 56.287 -0.049 0.000 0.935 536 K CB -0.350 32.126 32.500 -0.040 0.000 0.715 536 K HN 0.420 nan 8.250 nan 0.000 0.439 537 V N -0.215 119.672 119.914 -0.044 0.000 2.343 537 V HA -0.185 3.930 4.120 -0.008 0.000 0.247 537 V C 2.267 178.348 176.094 -0.021 0.000 1.051 537 V CA 1.973 64.256 62.300 -0.028 0.000 1.036 537 V CB -0.737 31.068 31.823 -0.030 0.000 0.654 537 V HN 0.182 nan 8.190 nan 0.000 0.451 538 K N 0.899 121.282 120.400 -0.028 0.000 2.057 538 K HA -0.211 4.104 4.320 -0.008 0.000 0.207 538 K C 2.295 178.868 176.600 -0.046 0.000 1.049 538 K CA 2.164 58.439 56.287 -0.020 0.000 0.931 538 K CB -0.690 31.810 32.500 -0.001 0.000 0.714 538 K HN 0.560 nan 8.250 nan 0.000 0.440 539 Q N 1.030 120.795 119.800 -0.057 0.000 2.084 539 Q HA -0.108 4.227 4.340 -0.008 0.000 0.202 539 Q C 1.649 177.626 176.000 -0.037 0.000 0.978 539 Q CA 1.971 57.731 55.803 -0.072 0.000 0.844 539 Q CB -0.083 28.616 28.738 -0.065 0.000 0.898 539 Q HN 0.526 nan 8.270 nan 0.000 0.426 540 E N -0.481 119.710 120.200 -0.015 0.000 2.077 540 E HA -0.153 4.192 4.350 -0.008 0.000 0.193 540 E C 1.731 178.354 176.600 0.037 0.000 0.989 540 E CA 0.983 57.390 56.400 0.011 0.000 0.800 540 E CB -0.075 29.631 29.700 0.010 0.000 0.746 540 E HN 0.417 nan 8.360 nan 0.000 0.452 541 N N 1.024 119.743 118.700 0.032 0.000 2.166 541 N HA -0.129 4.606 4.740 -0.008 0.000 0.186 541 N C 1.489 177.075 175.510 0.127 0.000 1.019 541 N CA 1.018 54.107 53.050 0.066 0.000 0.856 541 N CB -0.069 38.441 38.487 0.039 0.000 0.993 541 N HN 0.153 nan 8.380 nan 0.000 0.426 542 K N 0.575 121.013 120.400 0.063 0.000 2.097 542 K HA 0.044 4.359 4.320 -0.008 0.000 0.205 542 K C 2.065 178.790 176.600 0.209 0.000 1.050 542 K CA 0.607 56.950 56.287 0.094 0.000 0.938 542 K CB -0.084 32.211 32.500 -0.343 0.000 0.718 542 K HN 0.114 nan 8.250 nan 0.000 0.442 543 L N 1.022 122.311 121.223 0.111 0.000 2.093 543 L HA -0.132 4.203 4.340 -0.008 0.000 0.208 543 L C 2.594 179.558 176.870 0.158 0.000 1.085 543 L CA 0.953 55.865 54.840 0.120 0.000 0.755 543 L CB -0.283 41.817 42.059 0.068 0.000 0.904 543 L HN 0.109 nan 8.230 nan 0.000 0.435 544 K N -0.048 120.451 120.400 0.166 0.000 2.057 544 K HA -0.198 4.117 4.320 -0.008 0.000 0.207 544 K C 2.160 178.915 176.600 0.258 0.000 1.049 544 K CA 1.595 57.988 56.287 0.178 0.000 0.931 544 K CB -0.192 32.397 32.500 0.149 0.000 0.714 544 K HN 0.127 nan 8.250 nan 0.000 0.440 545 F N 1.214 121.256 119.950 0.153 0.000 2.206 545 F HA -0.023 4.499 4.527 -0.008 0.000 0.298 545 F C 2.053 177.996 175.800 0.238 0.000 1.090 545 F CA 1.043 59.150 58.000 0.178 0.000 1.323 545 F CB -0.352 38.752 39.000 0.174 0.000 1.028 545 F HN 0.015 nan 8.300 nan 0.000 0.492 546 A N 0.220 123.182 122.820 0.236 0.000 1.933 546 A HA -0.042 4.273 4.320 -0.008 0.000 0.218 546 A C 2.396 180.012 177.584 0.054 0.000 1.175 546 A CA 1.685 53.790 52.037 0.114 0.000 0.628 546 A CB -1.424 17.697 19.000 0.202 0.000 0.814 546 A HN 0.440 nan 8.150 nan 0.000 0.444 547 A N -1.348 121.532 122.820 0.100 0.000 1.873 547 A HA -0.062 4.253 4.320 -0.008 0.000 0.215 547 A C 2.132 179.752 177.584 0.060 0.000 1.186 547 A CA 1.549 53.638 52.037 0.086 0.000 0.616 547 A CB -0.861 18.199 19.000 0.100 0.000 0.823 547 A HN 0.760 nan 8.150 nan 0.000 0.442 548 Y N 0.122 120.382 120.300 -0.066 0.000 2.165 548 Y HA -0.191 4.354 4.550 -0.008 0.000 0.286 548 Y C 1.843 177.664 175.900 -0.132 0.000 1.155 548 Y CA 1.737 59.780 58.100 -0.096 0.000 1.164 548 Y CB -0.364 38.043 38.460 -0.088 0.000 0.978 548 Y HN 0.184 nan 8.280 nan 0.000 0.513 549 L N 0.797 121.987 121.223 -0.055 0.000 2.127 549 L HA -0.208 4.127 4.340 -0.008 0.000 0.211 549 L C 2.221 179.069 176.870 -0.037 0.000 1.089 549 L CA 1.920 56.719 54.840 -0.068 0.000 0.757 549 L CB -0.716 41.232 42.059 -0.185 0.000 0.899 549 L HN 0.365 nan 8.230 nan 0.000 0.434 550 E N -1.655 118.519 120.200 -0.043 0.000 2.140 550 E HA -0.070 4.275 4.350 -0.008 0.000 0.191 550 E C 2.288 178.841 176.600 -0.080 0.000 0.973 550 E CA 0.196 56.588 56.400 -0.013 0.000 0.829 550 E CB 0.057 29.783 29.700 0.044 0.000 0.781 550 E HN 0.404 nan 8.360 nan 0.000 0.466 551 R N 0.928 121.342 120.500 -0.142 0.000 2.070 551 R HA -0.091 4.244 4.340 -0.008 0.000 0.232 551 R C 1.604 177.728 176.300 -0.292 0.000 1.138 551 R CA 1.121 57.110 56.100 -0.184 0.000 0.936 551 R CB -0.021 30.172 30.300 -0.177 0.000 0.839 551 R HN 0.083 nan 8.270 nan 0.000 0.429 552 E N -0.866 119.008 120.200 -0.544 0.000 2.463 552 E HA 0.000 4.345 4.350 -0.008 0.000 0.193 552 E C 0.188 176.233 176.600 -0.925 0.000 1.041 552 E CA 0.463 56.415 56.400 -0.747 0.000 0.879 552 E CB 0.546 29.618 29.700 -1.048 0.000 0.997 552 E HN 0.436 nan 8.360 nan 0.000 0.478 553 Y N -0.070 120.107 120.300 -0.204 0.000 2.710 553 Y HA 0.145 4.690 4.550 -0.009 0.000 0.278 553 Y C -0.114 175.750 175.900 -0.060 0.000 1.014 553 Y CA -0.897 57.140 58.100 -0.104 0.000 1.227 553 Y CB 0.631 39.035 38.460 -0.092 0.000 1.408 553 Y HN -0.245 nan 8.280 nan 0.000 0.580 554 K N 1.464 121.892 120.400 0.047 0.000 4.418 554 K HA -0.107 4.208 4.320 -0.008 0.000 0.285 554 K C -0.613 176.029 176.600 0.070 0.000 0.874 554 K CA 0.982 57.295 56.287 0.043 0.000 0.844 554 K CB -1.653 30.866 32.500 0.030 0.000 1.691 554 K HN 0.302 nan 8.250 nan 0.000 0.433 555 V N -1.400 118.556 119.914 0.071 0.000 2.851 555 V HA 0.616 4.731 4.120 -0.008 0.000 0.307 555 V C -0.739 175.410 176.094 0.092 0.000 1.129 555 V CA -1.032 61.307 62.300 0.065 0.000 0.932 555 V CB 2.323 34.164 31.823 0.029 0.000 1.024 555 V HN 0.544 nan 8.190 nan 0.000 0.426 556 H N 5.003 124.064 119.070 -0.014 0.000 2.466 556 H HA 0.857 5.408 4.556 -0.008 0.000 0.338 556 H C -0.467 174.855 175.328 -0.009 0.000 1.091 556 H CA -0.145 55.899 56.048 -0.007 0.000 1.207 556 H CB 1.714 31.477 29.762 0.000 0.000 1.466 556 H HN 1.064 nan 8.280 nan 0.000 0.493 557 I N 1.474 121.767 120.570 -0.461 0.000 2.934 557 I HA 0.483 4.648 4.170 -0.008 0.000 0.306 557 I C -0.814 175.095 176.117 -0.346 0.000 1.110 557 I CA -1.394 59.714 61.300 -0.320 0.000 1.019 557 I CB 2.239 40.139 38.000 -0.167 0.000 1.227 557 I HN 0.520 nan 8.210 nan 0.000 0.434 558 N N 4.136 122.761 118.700 -0.126 0.000 2.415 558 N HA 0.387 5.122 4.740 -0.008 0.000 0.246 558 N C -2.034 173.551 175.510 0.125 0.000 1.078 558 N CA -2.204 50.830 53.050 -0.026 0.000 0.942 558 N CB 1.033 39.523 38.487 0.005 0.000 1.140 558 N HN 0.353 nan 8.380 nan 0.000 0.501 559 P HA -0.060 nan 4.420 nan 0.000 0.223 559 P C -0.060 177.198 177.300 -0.070 0.000 1.144 559 P CA 1.213 64.352 63.100 0.065 0.000 0.783 559 P CB 0.146 31.873 31.700 0.044 0.000 0.771 560 N N -1.396 117.300 118.700 -0.006 0.000 2.422 560 N HA 0.002 4.737 4.740 -0.008 0.000 0.181 560 N C 0.445 175.967 175.510 0.021 0.000 1.080 560 N CA -0.114 52.928 53.050 -0.014 0.000 0.893 560 N CB 0.040 38.536 38.487 0.013 0.000 0.973 560 N HN 0.179 nan 8.380 nan 0.000 0.456 561 S N 0.394 116.119 115.700 0.042 0.000 2.614 561 S HA 0.183 4.648 4.470 -0.008 0.000 0.265 561 S C 0.029 174.590 174.600 -0.066 0.000 1.303 561 S CA -0.873 57.345 58.200 0.030 0.000 1.000 561 S CB 1.130 64.375 63.200 0.075 0.000 0.935 561 S HN 0.173 nan 8.310 nan 0.000 0.551 562 L N 2.151 123.189 121.223 -0.308 0.000 2.361 562 L HA 0.369 4.704 4.340 -0.008 0.000 0.278 562 L C -0.893 175.941 176.870 -0.061 0.000 1.113 562 L CA -0.559 53.897 54.840 -0.639 0.000 0.849 562 L CB -0.201 41.199 42.059 -1.098 0.000 1.155 562 L HN 0.708 nan 8.230 nan 0.000 0.452 563 F N 4.278 124.079 119.950 -0.248 0.000 2.405 563 F HA 0.102 4.625 4.527 -0.007 0.000 0.358 563 F C 0.434 176.154 175.800 -0.134 0.000 1.151 563 F CA -0.829 57.094 58.000 -0.128 0.000 1.161 563 F CB 0.586 39.560 39.000 -0.044 0.000 1.245 563 F HN 0.527 nan 8.300 nan 0.000 0.545 564 D N 4.800 125.195 120.400 -0.008 0.000 2.359 564 D HA 0.263 4.898 4.640 -0.008 0.000 0.230 564 D C -1.164 175.071 176.300 -0.107 0.000 1.118 564 D CA -0.027 53.924 54.000 -0.083 0.000 0.844 564 D CB 1.582 42.318 40.800 -0.106 0.000 1.059 564 D HN 0.253 nan 8.370 nan 0.000 0.493 565 V N 4.094 123.924 119.914 -0.139 0.000 2.656 565 V HA 0.486 4.601 4.120 -0.008 0.000 0.307 565 V C -1.456 174.491 176.094 -0.245 0.000 1.051 565 V CA -0.591 61.614 62.300 -0.159 0.000 0.893 565 V CB 1.985 33.771 31.823 -0.061 0.000 0.999 565 V HN 0.595 nan 8.190 nan 0.000 0.426 566 Q N 4.813 124.487 119.800 -0.210 0.000 2.397 566 Q HA 0.646 4.981 4.340 -0.008 0.000 0.260 566 Q C -1.661 174.184 176.000 -0.259 0.000 1.002 566 Q CA -0.565 55.104 55.803 -0.223 0.000 0.716 566 Q CB 1.867 30.498 28.738 -0.178 0.000 1.258 566 Q HN 0.882 nan 8.270 nan 0.000 0.477 567 V N 1.913 121.661 119.914 -0.276 0.000 2.531 567 V HA 0.867 4.982 4.120 -0.008 0.000 0.301 567 V C -0.888 174.930 176.094 -0.460 0.000 1.034 567 V CA -0.566 61.376 62.300 -0.598 0.000 0.865 567 V CB 1.371 32.576 31.823 -1.029 0.000 0.995 567 V HN 0.806 nan 8.190 nan 0.000 0.424 568 K N 2.492 122.676 120.400 -0.360 0.000 3.040 568 K HA 0.380 4.695 4.320 -0.008 0.000 0.300 568 K C -1.319 175.305 176.600 0.041 0.000 1.092 568 K CA -1.069 55.197 56.287 -0.035 0.000 0.831 568 K CB 0.910 33.386 32.500 -0.041 0.000 1.469 568 K HN 0.501 nan 8.250 nan 0.000 0.365 569 R N 0.827 121.422 120.500 0.158 0.000 2.698 569 R HA 0.179 4.514 4.340 -0.008 0.000 0.266 569 R C 0.395 176.757 176.300 0.104 0.000 1.026 569 R CA -0.327 55.883 56.100 0.182 0.000 1.102 569 R CB -0.122 30.366 30.300 0.313 0.000 0.978 569 R HN 0.461 nan 8.270 nan 0.000 0.436 570 I N 4.771 125.321 120.570 -0.034 0.000 2.436 570 I HA 0.121 4.286 4.170 -0.008 0.000 0.289 570 I C 0.725 176.624 176.117 -0.362 0.000 1.083 570 I CA 0.525 61.738 61.300 -0.144 0.000 1.372 570 I CB -0.231 37.686 38.000 -0.138 0.000 1.408 570 I HN 0.286 nan 8.210 nan 0.000 0.516 571 H N 4.535 123.521 119.070 -0.140 0.000 2.996 571 H HA 0.239 4.790 4.556 -0.008 0.000 0.368 571 H C 0.359 175.578 175.328 -0.183 0.000 1.185 571 H CA -0.502 55.510 56.048 -0.060 0.000 1.160 571 H CB 2.044 31.704 29.762 -0.170 0.000 1.820 571 H HN 0.488 nan 8.280 nan 0.000 0.547 572 E N 1.025 121.278 120.200 0.089 0.000 2.110 572 E HA -0.196 4.149 4.350 -0.008 0.000 0.193 572 E C 1.466 177.822 176.600 -0.405 0.000 0.988 572 E CA 1.405 57.785 56.400 -0.033 0.000 0.804 572 E CB -0.001 29.858 29.700 0.265 0.000 0.745 572 E HN 0.567 nan 8.360 nan 0.000 0.458 573 Y N 0.877 120.662 120.300 -0.858 0.000 2.421 573 Y HA -0.001 4.544 4.550 -0.009 0.000 0.292 573 Y C 1.506 177.144 175.900 -0.438 0.000 1.136 573 Y CA 0.779 58.184 58.100 -1.158 0.000 1.255 573 Y CB -0.084 37.739 38.460 -1.062 0.000 0.991 573 Y HN -0.213 nan 8.280 nan 0.000 0.552 574 K N 0.762 120.693 120.400 -0.781 0.000 2.432 574 K HA 0.070 4.385 4.320 -0.008 0.000 0.196 574 K C 0.108 176.538 176.600 -0.283 0.000 1.038 574 K CA 0.456 56.407 56.287 -0.560 0.000 0.986 574 K CB -0.035 32.137 32.500 -0.547 0.000 0.782 574 K HN 0.255 nan 8.250 nan 0.000 0.485 575 R N 0.508 120.867 120.500 -0.234 0.000 3.336 575 R HA -0.229 4.106 4.340 -0.008 0.000 0.260 575 R C 0.246 176.467 176.300 -0.132 0.000 1.032 575 R CA 0.177 56.191 56.100 -0.144 0.000 0.693 575 R CB -1.817 28.416 30.300 -0.112 0.000 1.134 575 R HN 0.291 nan 8.270 nan 0.000 0.433 576 Q N 0.326 120.048 119.800 -0.130 0.000 2.226 576 Q HA -0.025 4.310 4.340 -0.008 0.000 0.204 576 Q C 2.035 177.985 176.000 -0.083 0.000 0.975 576 Q CA 1.274 57.014 55.803 -0.106 0.000 0.866 576 Q CB 0.058 28.738 28.738 -0.098 0.000 0.915 576 Q HN 0.578 nan 8.270 nan 0.000 0.440 577 L N -0.555 120.622 121.223 -0.077 0.000 2.083 577 L HA -0.184 4.151 4.340 -0.008 0.000 0.209 577 L C 2.017 178.882 176.870 -0.008 0.000 1.083 577 L CA 0.621 55.430 54.840 -0.051 0.000 0.752 577 L CB -0.363 41.675 42.059 -0.034 0.000 0.899 577 L HN 0.319 nan 8.230 nan 0.000 0.433 578 L N 0.019 121.228 121.223 -0.024 0.000 2.083 578 L HA -0.235 4.100 4.340 -0.008 0.000 0.209 578 L C 2.023 178.924 176.870 0.052 0.000 1.083 578 L CA 1.895 56.729 54.840 -0.011 0.000 0.752 578 L CB -0.817 41.128 42.059 -0.190 0.000 0.899 578 L HN 0.280 nan 8.230 nan 0.000 0.433 579 N N -1.646 117.058 118.700 0.006 0.000 2.120 579 N HA -0.232 4.503 4.740 -0.008 0.000 0.188 579 N C 1.930 177.516 175.510 0.125 0.000 1.024 579 N CA 1.560 54.691 53.050 0.135 0.000 0.852 579 N CB -0.139 38.366 38.487 0.029 0.000 1.003 579 N HN 0.495 nan 8.380 nan 0.000 0.424 580 C N 0.598 119.911 119.300 0.020 0.000 2.413 580 C HA -0.075 4.380 4.460 -0.008 0.000 0.276 580 C C 2.576 177.557 174.990 -0.015 0.000 1.248 580 C CA 0.404 59.390 59.018 -0.053 0.000 1.742 580 C CB -1.239 26.421 27.740 -0.134 0.000 2.017 580 C HN 0.510 nan 8.230 nan 0.000 0.481 581 L N -0.423 120.852 121.223 0.086 0.000 2.131 581 L HA -0.180 4.155 4.340 -0.008 0.000 0.210 581 L C 2.739 179.758 176.870 0.249 0.000 1.092 581 L CA 1.631 56.568 54.840 0.162 0.000 0.759 581 L CB -0.988 41.236 42.059 0.275 0.000 0.903 581 L HN 0.592 nan 8.230 nan 0.000 0.435 582 H N -0.096 119.076 119.070 0.171 0.000 2.363 582 H HA -0.109 4.442 4.556 -0.008 0.000 0.301 582 H C 2.215 177.534 175.328 -0.014 0.000 1.074 582 H CA 1.669 57.745 56.048 0.046 0.000 1.354 582 H CB 0.394 30.132 29.762 -0.041 0.000 1.397 582 H HN 0.096 nan 8.280 nan 0.000 0.516 583 V N 1.616 121.456 119.914 -0.123 0.000 2.287 583 V HA -0.274 3.841 4.120 -0.008 0.000 0.248 583 V C 2.816 178.839 176.094 -0.119 0.000 1.053 583 V CA 1.870 64.060 62.300 -0.183 0.000 1.027 583 V CB -0.511 31.245 31.823 -0.111 0.000 0.646 583 V HN 0.390 nan 8.190 nan 0.000 0.447 584 I N -0.169 120.361 120.570 -0.067 0.000 2.394 584 I HA -0.211 3.954 4.170 -0.008 0.000 0.251 584 I C 2.490 178.648 176.117 0.068 0.000 1.136 584 I CA 1.645 62.964 61.300 0.033 0.000 1.425 584 I CB -0.635 37.359 38.000 -0.010 0.000 1.079 584 I HN 0.326 nan 8.210 nan 0.000 0.425 585 T N 1.142 115.695 114.554 -0.001 0.000 2.708 585 T HA -0.134 4.211 4.350 -0.008 0.000 0.266 585 T C 1.876 176.520 174.700 -0.092 0.000 1.037 585 T CA 1.161 63.255 62.100 -0.011 0.000 1.146 585 T CB -0.220 68.667 68.868 0.033 0.000 0.865 585 T HN 0.081 nan 8.240 nan 0.000 0.435 586 L N 0.123 121.220 121.223 -0.210 0.000 2.046 586 L HA -0.014 4.321 4.340 -0.008 0.000 0.208 586 L C 2.093 178.913 176.870 -0.083 0.000 1.077 586 L CA 1.570 56.282 54.840 -0.213 0.000 0.747 586 L CB -0.939 40.919 42.059 -0.336 0.000 0.896 586 L HN 0.361 nan 8.230 nan 0.000 0.432 587 Y N 0.148 120.373 120.300 -0.124 0.000 2.145 587 Y HA -0.276 4.269 4.550 -0.009 0.000 0.286 587 Y C 2.432 178.302 175.900 -0.050 0.000 1.145 587 Y CA 1.800 59.866 58.100 -0.057 0.000 1.148 587 Y CB -0.093 38.374 38.460 0.012 0.000 0.981 587 Y HN 0.269 nan 8.280 nan 0.000 0.507 588 N N 0.506 119.159 118.700 -0.078 0.000 2.166 588 N HA -0.147 4.588 4.740 -0.008 0.000 0.186 588 N C 1.821 177.217 175.510 -0.190 0.000 1.019 588 N CA 1.514 54.456 53.050 -0.179 0.000 0.856 588 N CB -0.382 38.060 38.487 -0.075 0.000 0.993 588 N HN 0.443 nan 8.380 nan 0.000 0.426 589 R N 0.421 120.835 120.500 -0.143 0.000 2.096 589 R HA 0.054 4.389 4.340 -0.008 0.000 0.235 589 R C 2.189 178.400 176.300 -0.148 0.000 1.127 589 R CA 0.763 56.786 56.100 -0.127 0.000 0.968 589 R CB -0.223 30.011 30.300 -0.111 0.000 0.861 589 R HN 0.262 nan 8.270 nan 0.000 0.440 590 I N 0.848 121.306 120.570 -0.187 0.000 2.252 590 I HA -0.234 3.931 4.170 -0.008 0.000 0.245 590 I C 1.976 177.971 176.117 -0.204 0.000 1.102 590 I CA 1.087 62.278 61.300 -0.182 0.000 1.385 590 I CB -0.162 37.729 38.000 -0.181 0.000 1.064 590 I HN 0.016 nan 8.210 nan 0.000 0.414 591 K N 0.830 121.045 120.400 -0.309 0.000 2.280 591 K HA -0.187 4.128 4.320 -0.008 0.000 0.202 591 K C 1.971 178.473 176.600 -0.162 0.000 1.047 591 K CA 1.044 57.168 56.287 -0.271 0.000 0.942 591 K CB -0.203 32.066 32.500 -0.384 0.000 0.739 591 K HN 0.161 nan 8.250 nan 0.000 0.457 592 K N 1.395 121.706 120.400 -0.148 0.000 2.044 592 K HA -0.039 4.276 4.320 -0.008 0.000 0.204 592 K C 0.150 176.704 176.600 -0.077 0.000 1.049 592 K CA 1.125 57.352 56.287 -0.101 0.000 0.945 592 K CB 0.433 32.876 32.500 -0.095 0.000 0.724 592 K HN 0.020 nan 8.250 nan 0.000 0.440 593 E N -0.148 120.005 120.200 -0.079 0.000 3.374 593 E HA 0.151 4.496 4.350 -0.008 0.000 0.223 593 E C -2.315 174.250 176.600 -0.058 0.000 1.210 593 E CA -1.534 54.832 56.400 -0.056 0.000 0.987 593 E CB 1.556 31.229 29.700 -0.046 0.000 1.322 593 E HN 0.079 nan 8.360 nan 0.000 0.404 594 P HA -0.174 nan 4.420 nan 0.000 0.216 594 P C 0.260 177.545 177.300 -0.026 0.000 1.150 594 P CA 1.292 64.361 63.100 -0.051 0.000 0.843 594 P CB 0.184 31.858 31.700 -0.043 0.000 0.787 595 N N -1.317 117.376 118.700 -0.011 0.000 2.313 595 N HA 0.005 4.740 4.740 -0.008 0.000 0.207 595 N C 0.447 175.975 175.510 0.030 0.000 1.141 595 N CA 0.030 53.087 53.050 0.011 0.000 0.830 595 N CB -0.050 38.443 38.487 0.010 0.000 1.008 595 N HN 0.016 nan 8.380 nan 0.000 0.481 596 K N 1.170 121.580 120.400 0.017 0.000 2.156 596 K HA 0.145 4.460 4.320 -0.008 0.000 0.271 596 K C -0.912 175.725 176.600 0.063 0.000 0.995 596 K CA -0.586 55.725 56.287 0.039 0.000 0.890 596 K CB 0.584 33.085 32.500 0.002 0.000 1.073 596 K HN -0.047 nan 8.250 nan 0.000 0.454 597 F N 4.643 124.578 119.950 -0.024 0.000 2.484 597 F HA 0.232 4.754 4.527 -0.009 0.000 0.360 597 F C -0.391 175.393 175.800 -0.026 0.000 1.101 597 F CA -0.065 57.922 58.000 -0.023 0.000 1.251 597 F CB 0.635 39.625 39.000 -0.017 0.000 1.132 597 F HN 0.196 nan 8.300 nan 0.000 0.570 598 V N 4.038 123.322 119.914 -1.049 0.000 2.888 598 V HA 0.507 4.622 4.120 -0.008 0.000 0.309 598 V C -0.889 174.586 176.094 -1.031 0.000 1.114 598 V CA -1.237 60.593 62.300 -0.784 0.000 0.940 598 V CB 0.875 32.467 31.823 -0.385 0.000 1.021 598 V HN 0.597 nan 8.190 nan 0.000 0.426 599 V N 4.740 124.290 119.914 -0.607 0.000 2.493 599 V HA 0.175 4.290 4.120 -0.008 0.000 0.292 599 V C -1.811 174.119 176.094 -0.274 0.000 1.016 599 V CA -0.354 61.744 62.300 -0.337 0.000 1.097 599 V CB 0.295 32.048 31.823 -0.116 0.000 0.947 599 V HN 0.897 nan 8.190 nan 0.000 0.479 600 P HA 0.257 nan 4.420 nan 0.000 0.265 600 P C -0.290 176.924 177.300 -0.143 0.000 1.193 600 P CA 0.171 63.191 63.100 -0.135 0.000 0.765 600 P CB 0.478 32.149 31.700 -0.049 0.000 0.823 601 R N 1.213 121.638 120.500 -0.124 0.000 2.725 601 R HA 0.576 4.911 4.340 -0.008 0.000 0.277 601 R C -0.884 175.371 176.300 -0.075 0.000 0.987 601 R CA -0.637 55.389 56.100 -0.122 0.000 0.901 601 R CB 2.101 32.312 30.300 -0.148 0.000 1.207 601 R HN 0.275 nan 8.270 nan 0.000 0.463 602 T N 1.928 116.450 114.554 -0.054 0.000 2.864 602 T HA 0.247 4.592 4.350 -0.008 0.000 0.310 602 T C -0.563 174.049 174.700 -0.148 0.000 1.040 602 T CA -0.446 61.585 62.100 -0.116 0.000 0.977 602 T CB 1.132 69.871 68.868 -0.216 0.000 0.976 602 T HN 0.122 nan 8.240 nan 0.000 0.459 603 V N 5.882 125.717 119.914 -0.130 0.000 2.364 603 V HA 0.451 4.566 4.120 -0.008 0.000 0.272 603 V C 0.035 176.048 176.094 -0.135 0.000 1.036 603 V CA -0.387 61.842 62.300 -0.119 0.000 0.880 603 V CB 0.801 32.571 31.823 -0.089 0.000 0.991 603 V HN 0.841 nan 8.190 nan 0.000 0.460 604 M N 6.615 126.124 119.600 -0.151 0.000 2.311 604 M HA 0.629 5.104 4.480 -0.008 0.000 0.325 604 M C -1.013 175.177 176.300 -0.184 0.000 1.061 604 M CA -0.205 54.997 55.300 -0.164 0.000 0.957 604 M CB 2.145 34.646 32.600 -0.166 0.000 1.646 604 M HN 0.410 nan 8.290 nan 0.000 0.434 605 I N 1.757 122.196 120.570 -0.219 0.000 2.533 605 I HA 0.803 4.968 4.170 -0.008 0.000 0.290 605 I C -0.034 175.750 176.117 -0.556 0.000 1.056 605 I CA -0.634 60.508 61.300 -0.263 0.000 1.057 605 I CB 2.324 40.257 38.000 -0.112 0.000 1.240 605 I HN 0.809 nan 8.210 nan 0.000 0.423 606 G N 2.996 111.441 108.800 -0.591 0.000 2.690 606 G HA2 0.845 4.800 3.960 -0.008 0.000 0.293 606 G HA3 0.845 4.800 3.960 -0.008 0.000 0.293 606 G C -1.008 173.605 174.900 -0.478 0.000 1.399 606 G CA -0.834 43.776 45.100 -0.815 0.000 0.890 606 G HN 0.986 nan 8.290 nan 0.000 0.485 607 G N -0.296 108.378 108.800 -0.211 0.000 2.352 607 G HA2 0.399 4.354 3.960 -0.008 0.000 0.303 607 G HA3 0.399 4.354 3.960 -0.008 0.000 0.303 607 G C -1.209 173.826 174.900 0.226 0.000 1.593 607 G CA -1.031 44.110 45.100 0.068 0.000 0.963 607 G HN 0.609 nan 8.290 nan 0.000 0.685 608 K N -0.086 120.444 120.400 0.216 0.000 2.098 608 K HA 0.759 5.074 4.320 -0.008 0.000 0.261 608 K C 0.253 176.978 176.600 0.209 0.000 0.987 608 K CA -0.199 56.232 56.287 0.240 0.000 0.916 608 K CB 2.017 34.573 32.500 0.093 0.000 1.039 608 K HN 0.868 nan 8.250 nan 0.000 0.455 609 A N 1.304 124.282 122.820 0.263 0.000 2.317 609 A HA 0.636 4.951 4.320 -0.008 0.000 0.327 609 A C -0.501 177.253 177.584 0.283 0.000 1.178 609 A CA -0.754 51.373 52.037 0.150 0.000 0.817 609 A CB 1.085 20.108 19.000 0.039 0.000 1.189 609 A HN 0.768 nan 8.150 nan 0.000 0.489 610 A N 3.687 126.665 122.820 0.263 0.000 2.511 610 A HA 0.469 4.784 4.320 -0.008 0.000 0.242 610 A C -1.317 176.386 177.584 0.199 0.000 1.069 610 A CA -0.769 51.444 52.037 0.293 0.000 0.763 610 A CB -0.404 18.768 19.000 0.287 0.000 1.001 610 A HN 0.614 nan 8.150 nan 0.000 0.498 611 P HA -0.192 nan 4.420 nan 0.000 0.218 611 P C 1.228 178.547 177.300 0.031 0.000 1.154 611 P CA 2.213 65.283 63.100 -0.051 0.000 0.872 611 P CB 0.189 31.810 31.700 -0.132 0.000 0.790 612 G N -3.117 105.736 108.800 0.087 0.000 3.523 612 G HA2 -0.026 3.929 3.960 -0.008 0.000 0.270 612 G HA3 -0.026 3.929 3.960 -0.008 0.000 0.270 612 G C -0.437 174.567 174.900 0.173 0.000 1.134 612 G CA -0.119 45.039 45.100 0.096 0.000 0.825 612 G HN 0.309 nan 8.290 nan 0.000 0.534 613 Y N 1.325 121.656 120.300 0.052 0.000 2.751 613 Y HA 0.220 4.765 4.550 -0.008 0.000 0.333 613 Y C 1.702 177.646 175.900 0.074 0.000 1.122 613 Y CA -1.167 56.967 58.100 0.056 0.000 1.367 613 Y CB 0.295 38.777 38.460 0.038 0.000 1.242 613 Y HN 0.374 nan 8.280 nan 0.000 0.505 614 H N 3.258 122.473 119.070 0.242 0.000 2.289 614 H HA -0.302 4.249 4.556 -0.008 0.000 0.294 614 H C 1.994 177.368 175.328 0.077 0.000 1.095 614 H CA 2.961 59.086 56.048 0.128 0.000 1.256 614 H CB 0.174 29.998 29.762 0.103 0.000 1.359 614 H HN 0.703 nan 8.280 nan 0.000 0.487 615 M N 0.374 119.959 119.600 -0.025 0.000 2.108 615 M HA -0.083 4.392 4.480 -0.008 0.000 0.261 615 M C 2.408 178.484 176.300 -0.375 0.000 1.066 615 M CA 1.988 57.180 55.300 -0.180 0.000 1.107 615 M CB -0.872 31.764 32.600 0.060 0.000 1.356 615 M HN 0.411 nan 8.290 nan 0.000 0.406 616 A N -0.515 121.870 122.820 -0.725 0.000 1.933 616 A HA -0.192 4.122 4.320 -0.008 0.000 0.218 616 A C 2.208 179.600 177.584 -0.321 0.000 1.175 616 A CA 1.866 53.485 52.037 -0.697 0.000 0.628 616 A CB -0.657 17.709 19.000 -1.057 0.000 0.814 616 A HN 0.596 nan 8.150 nan 0.000 0.444 617 K N -1.184 119.088 120.400 -0.213 0.000 2.155 617 K HA -0.005 4.310 4.320 -0.008 0.000 0.203 617 K C 1.860 178.417 176.600 -0.071 0.000 1.052 617 K CA 1.061 57.307 56.287 -0.069 0.000 0.948 617 K CB -0.173 32.359 32.500 0.054 0.000 0.728 617 K HN 0.349 nan 8.250 nan 0.000 0.448 618 M N 0.481 119.990 119.600 -0.152 0.000 2.254 618 M HA -0.060 4.415 4.480 -0.008 0.000 0.265 618 M C 2.053 178.293 176.300 -0.099 0.000 1.066 618 M CA 1.355 56.595 55.300 -0.100 0.000 1.123 618 M CB -0.528 31.987 32.600 -0.143 0.000 1.388 618 M HN 0.121 nan 8.290 nan 0.000 0.425 619 I N -0.329 120.149 120.570 -0.153 0.000 2.315 619 I HA -0.276 3.889 4.170 -0.008 0.000 0.248 619 I C 2.267 178.270 176.117 -0.190 0.000 1.117 619 I CA 0.937 62.141 61.300 -0.159 0.000 1.404 619 I CB -0.259 37.642 38.000 -0.165 0.000 1.071 619 I HN 0.167 nan 8.210 nan 0.000 0.419 620 I N 0.756 121.192 120.570 -0.223 0.000 2.179 620 I HA -0.293 3.872 4.170 -0.008 0.000 0.242 620 I C 2.605 178.455 176.117 -0.445 0.000 1.088 620 I CA 1.224 62.308 61.300 -0.360 0.000 1.357 620 I CB -0.269 37.494 38.000 -0.394 0.000 1.051 620 I HN 0.145 nan 8.210 nan 0.000 0.409 621 K N 1.397 121.536 120.400 -0.435 0.000 2.097 621 K HA -0.208 4.106 4.320 -0.008 0.000 0.206 621 K C 1.972 178.414 176.600 -0.263 0.000 1.049 621 K CA 1.495 57.435 56.287 -0.578 0.000 0.933 621 K CB -0.562 31.296 32.500 -1.069 0.000 0.717 621 K HN 0.142 nan 8.250 nan 0.000 0.442 622 L N 0.672 121.800 121.223 -0.158 0.000 2.046 622 L HA -0.038 4.297 4.340 -0.008 0.000 0.208 622 L C 1.977 178.625 176.870 -0.370 0.000 1.077 622 L CA 1.657 56.267 54.840 -0.384 0.000 0.747 622 L CB -0.378 41.391 42.059 -0.482 0.000 0.896 622 L HN 0.287 nan 8.230 nan 0.000 0.432 623 I N -0.590 119.816 120.570 -0.275 0.000 2.179 623 I HA -0.310 3.855 4.170 -0.008 0.000 0.242 623 I C 2.431 178.446 176.117 -0.170 0.000 1.088 623 I CA 1.791 62.974 61.300 -0.193 0.000 1.357 623 I CB -0.858 37.112 38.000 -0.050 0.000 1.051 623 I HN 0.494 nan 8.210 nan 0.000 0.409 624 T N -0.876 113.550 114.554 -0.214 0.000 2.867 624 T HA -0.037 4.308 4.350 -0.008 0.000 0.268 624 T C 1.987 176.620 174.700 -0.111 0.000 1.057 624 T CA 0.885 62.889 62.100 -0.160 0.000 1.136 624 T CB -0.416 68.310 68.868 -0.237 0.000 0.874 624 T HN 0.330 nan 8.240 nan 0.000 0.466 625 A N 1.535 124.282 122.820 -0.122 0.000 1.930 625 A HA 0.154 4.469 4.320 -0.008 0.000 0.217 625 A C 2.382 179.964 177.584 -0.003 0.000 1.175 625 A CA 1.220 53.248 52.037 -0.014 0.000 0.627 625 A CB -0.806 18.263 19.000 0.114 0.000 0.815 625 A HN 0.592 nan 8.150 nan 0.000 0.443 626 I N -0.378 120.076 120.570 -0.193 0.000 2.252 626 I HA -0.188 3.977 4.170 -0.008 0.000 0.245 626 I C 2.685 178.754 176.117 -0.079 0.000 1.102 626 I CA 1.078 62.227 61.300 -0.252 0.000 1.385 626 I CB -0.597 37.139 38.000 -0.441 0.000 1.064 626 I HN 0.402 nan 8.210 nan 0.000 0.414 627 G N 0.462 109.219 108.800 -0.071 0.000 2.418 627 G HA2 -0.246 3.709 3.960 -0.008 0.000 0.217 627 G HA3 -0.246 3.709 3.960 -0.008 0.000 0.217 627 G C 1.232 176.163 174.900 0.051 0.000 1.158 627 G CA 0.845 45.928 45.100 -0.028 0.000 0.771 627 G HN 0.276 nan 8.290 nan 0.000 0.545 628 D N 0.043 120.496 120.400 0.089 0.000 2.182 628 D HA -0.084 4.551 4.640 -0.008 0.000 0.201 628 D C 2.669 179.097 176.300 0.213 0.000 0.986 628 D CA 0.665 54.768 54.000 0.172 0.000 0.847 628 D CB -0.118 40.720 40.800 0.063 0.000 0.942 628 D HN 0.263 nan 8.370 nan 0.000 0.467 629 V N 0.031 120.017 119.914 0.120 0.000 2.300 629 V HA -0.128 3.987 4.120 -0.008 0.000 0.241 629 V C 2.601 178.700 176.094 0.009 0.000 1.034 629 V CA 0.691 63.022 62.300 0.053 0.000 1.021 629 V CB -0.381 31.471 31.823 0.050 0.000 0.662 629 V HN 0.015 nan 8.190 nan 0.000 0.458 630 V N 1.070 120.919 119.914 -0.109 0.000 2.287 630 V HA -0.238 3.877 4.120 -0.008 0.000 0.248 630 V C 2.196 178.289 176.094 -0.002 0.000 1.053 630 V CA 2.158 64.387 62.300 -0.119 0.000 1.027 630 V CB -0.934 30.797 31.823 -0.153 0.000 0.646 630 V HN 0.566 nan 8.190 nan 0.000 0.447 631 N N -0.290 118.371 118.700 -0.065 0.000 2.520 631 N HA -0.108 4.627 4.740 -0.008 0.000 0.185 631 N C 1.144 176.419 175.510 -0.393 0.000 1.068 631 N CA 0.982 53.898 53.050 -0.224 0.000 0.911 631 N CB -0.294 38.000 38.487 -0.323 0.000 0.961 631 N HN 0.695 nan 8.380 nan 0.000 0.446 632 H N -1.521 117.566 119.070 0.028 0.000 2.674 632 H HA 0.215 4.766 4.556 -0.008 0.000 0.274 632 H C -0.588 174.769 175.328 0.048 0.000 1.121 632 H CA -0.512 55.554 56.048 0.030 0.000 1.132 632 H CB 0.536 30.306 29.762 0.012 0.000 1.606 632 H HN -0.019 nan 8.280 nan 0.000 0.558 633 D N 1.541 122.032 120.400 0.151 0.000 2.347 633 D HA 0.063 4.698 4.640 -0.008 0.000 0.235 633 D C -1.644 174.720 176.300 0.107 0.000 1.149 633 D CA -2.059 52.038 54.000 0.162 0.000 0.850 633 D CB 1.706 42.680 40.800 0.290 0.000 1.061 633 D HN 0.081 nan 8.370 nan 0.000 0.487 634 P HA -0.153 nan 4.420 nan 0.000 0.216 634 P C 1.569 178.893 177.300 0.040 0.000 1.150 634 P CA 0.516 63.648 63.100 0.053 0.000 0.843 634 P CB 0.446 32.172 31.700 0.044 0.000 0.787 635 V N -0.707 119.230 119.914 0.038 0.000 2.427 635 V HA -0.174 3.941 4.120 -0.008 0.000 0.248 635 V C 2.381 178.480 176.094 0.007 0.000 1.051 635 V CA 1.590 63.897 62.300 0.012 0.000 1.048 635 V CB -1.039 30.777 31.823 -0.011 0.000 0.666 635 V HN -0.014 nan 8.190 nan 0.000 0.456 636 V N -0.105 119.829 119.914 0.034 0.000 2.427 636 V HA 0.090 4.205 4.120 -0.008 0.000 0.248 636 V C 1.785 177.891 176.094 0.019 0.000 1.051 636 V CA 1.358 63.677 62.300 0.033 0.000 1.048 636 V CB -1.417 30.473 31.823 0.111 0.000 0.666 636 V HN 0.732 nan 8.190 nan 0.000 0.456 637 G N 1.753 110.569 108.800 0.027 0.000 2.574 637 G HA2 -0.376 3.579 3.960 -0.008 0.000 0.286 637 G HA3 -0.376 3.579 3.960 -0.008 0.000 0.286 637 G C 0.195 175.104 174.900 0.014 0.000 1.212 637 G CA 0.487 45.600 45.100 0.022 0.000 0.979 637 G HN 0.724 nan 8.290 nan 0.000 0.557 638 D N 0.039 120.447 120.400 0.014 0.000 2.491 638 D HA 0.288 4.923 4.640 -0.008 0.000 0.228 638 D C 1.712 178.006 176.300 -0.010 0.000 1.183 638 D CA 0.000 54.004 54.000 0.007 0.000 0.827 638 D CB 0.034 40.849 40.800 0.025 0.000 0.989 638 D HN 0.592 nan 8.370 nan 0.000 0.494 639 R N -0.743 119.744 120.500 -0.022 0.000 2.246 639 R HA 0.296 4.631 4.340 -0.008 0.000 0.199 639 R C -0.121 176.139 176.300 -0.067 0.000 0.984 639 R CA 0.157 56.222 56.100 -0.057 0.000 1.015 639 R CB 0.332 30.586 30.300 -0.077 0.000 0.930 639 R HN 0.126 nan 8.270 nan 0.000 0.475 640 L N 0.435 121.634 121.223 -0.040 0.000 2.543 640 L HA 0.406 4.741 4.340 -0.008 0.000 0.265 640 L C -1.687 175.161 176.870 -0.037 0.000 0.945 640 L CA -0.510 54.305 54.840 -0.042 0.000 0.869 640 L CB 1.778 43.827 42.059 -0.016 0.000 1.294 640 L HN -0.159 nan 8.230 nan 0.000 0.405 641 R N 3.809 124.272 120.500 -0.062 0.000 2.628 641 R HA 0.763 5.098 4.340 -0.008 0.000 0.288 641 R C -1.666 174.580 176.300 -0.089 0.000 0.980 641 R CA -0.783 55.271 56.100 -0.076 0.000 0.891 641 R CB 2.470 32.717 30.300 -0.088 0.000 1.188 641 R HN 0.413 nan 8.270 nan 0.000 0.450 642 V N 5.061 124.924 119.914 -0.084 0.000 2.350 642 V HA 0.441 4.556 4.120 -0.008 0.000 0.285 642 V C -0.419 175.636 176.094 -0.065 0.000 1.014 642 V CA -0.701 61.551 62.300 -0.081 0.000 0.831 642 V CB 1.492 33.265 31.823 -0.084 0.000 1.000 642 V HN 0.503 nan 8.190 nan 0.000 0.433 643 I N 5.091 125.618 120.570 -0.072 0.000 2.509 643 I HA 0.457 4.622 4.170 -0.008 0.000 0.293 643 I C -0.626 175.473 176.117 -0.030 0.000 1.020 643 I CA -0.550 60.719 61.300 -0.052 0.000 1.088 643 I CB 1.796 39.739 38.000 -0.094 0.000 1.267 643 I HN 0.539 nan 8.210 nan 0.000 0.430 644 F N 6.991 126.876 119.950 -0.108 0.000 2.385 644 F HA 0.518 5.040 4.527 -0.008 0.000 0.360 644 F C -0.651 175.083 175.800 -0.110 0.000 1.122 644 F CA -0.780 57.157 58.000 -0.105 0.000 1.090 644 F CB 0.689 39.630 39.000 -0.099 0.000 1.150 644 F HN 0.142 nan 8.300 nan 0.000 0.472 645 L N 5.975 126.787 121.223 -0.686 0.000 2.407 645 L HA 0.151 4.486 4.340 -0.008 0.000 0.282 645 L C 0.350 176.954 176.870 -0.443 0.000 1.110 645 L CA 0.196 54.770 54.840 -0.443 0.000 0.863 645 L CB -0.013 41.875 42.059 -0.286 0.000 1.207 645 L HN 0.627 nan 8.230 nan 0.000 0.454 646 E N 3.281 123.369 120.200 -0.186 0.000 2.373 646 E HA -0.022 4.323 4.350 -0.008 0.000 0.267 646 E C 0.499 177.174 176.600 0.125 0.000 1.032 646 E CA -0.206 56.235 56.400 0.068 0.000 0.889 646 E CB 0.296 30.014 29.700 0.030 0.000 0.984 646 E HN 0.539 nan 8.360 nan 0.000 0.425 647 N N 2.684 121.515 118.700 0.218 0.000 2.725 647 N HA -0.284 4.451 4.740 -0.008 0.000 0.251 647 N C -1.527 174.095 175.510 0.187 0.000 1.031 647 N CA 0.517 53.692 53.050 0.208 0.000 0.720 647 N CB -1.522 37.100 38.487 0.226 0.000 0.930 647 N HN 0.473 nan 8.380 nan 0.000 0.543 648 Y N 1.489 121.810 120.300 0.035 0.000 2.717 648 Y HA 0.172 4.717 4.550 -0.009 0.000 0.330 648 Y C 1.151 177.081 175.900 0.050 0.000 1.217 648 Y CA 0.679 58.786 58.100 0.012 0.000 1.506 648 Y CB 0.323 38.757 38.460 -0.044 0.000 1.268 648 Y HN 0.394 nan 8.280 nan 0.000 0.561 649 R N 2.318 122.514 120.500 -0.506 0.000 2.762 649 R HA 0.449 4.784 4.340 -0.008 0.000 0.271 649 R C -0.413 175.573 176.300 -0.523 0.000 1.038 649 R CA -0.574 55.300 56.100 -0.377 0.000 0.906 649 R CB 0.290 30.558 30.300 -0.053 0.000 1.259 649 R HN 0.342 nan 8.270 nan 0.000 0.457 650 V N 1.049 120.690 119.914 -0.455 0.000 2.287 650 V HA -0.290 3.825 4.120 -0.008 0.000 0.248 650 V C 2.565 178.544 176.094 -0.192 0.000 1.053 650 V CA 2.794 64.879 62.300 -0.359 0.000 1.027 650 V CB -0.841 30.738 31.823 -0.406 0.000 0.646 650 V HN 0.925 nan 8.190 nan 0.000 0.447 651 S N 0.036 115.650 115.700 -0.144 0.000 2.419 651 S HA -0.164 4.301 4.470 -0.008 0.000 0.233 651 S C 1.893 176.457 174.600 -0.060 0.000 1.016 651 S CA 1.648 59.792 58.200 -0.093 0.000 0.974 651 S CB -0.461 62.715 63.200 -0.040 0.000 0.786 651 S HN 0.411 nan 8.310 nan 0.000 0.492 652 L N 1.741 122.935 121.223 -0.049 0.000 2.131 652 L HA 0.403 4.738 4.340 -0.008 0.000 0.206 652 L C 2.629 179.520 176.870 0.036 0.000 1.087 652 L CA 1.291 56.148 54.840 0.029 0.000 0.767 652 L CB -1.202 40.936 42.059 0.132 0.000 0.917 652 L HN 0.326 nan 8.230 nan 0.000 0.441 653 A N -0.617 122.196 122.820 -0.012 0.000 1.940 653 A HA -0.229 4.086 4.320 -0.008 0.000 0.219 653 A C 2.117 179.765 177.584 0.106 0.000 1.176 653 A CA 1.829 53.933 52.037 0.112 0.000 0.631 653 A CB -0.591 18.443 19.000 0.057 0.000 0.814 653 A HN 0.600 nan 8.150 nan 0.000 0.446 654 E N -0.457 119.783 120.200 0.066 0.000 2.268 654 E HA -0.148 4.197 4.350 -0.008 0.000 0.195 654 E C 1.842 178.410 176.600 -0.054 0.000 0.995 654 E CA 1.111 57.507 56.400 -0.008 0.000 0.836 654 E CB -0.037 29.567 29.700 -0.160 0.000 0.763 654 E HN 0.629 nan 8.360 nan 0.000 0.491 655 K N 0.042 120.396 120.400 -0.077 0.000 2.141 655 K HA 0.027 4.342 4.320 -0.008 0.000 0.202 655 K C 2.151 178.566 176.600 -0.309 0.000 1.045 655 K CA 0.423 56.647 56.287 -0.106 0.000 0.971 655 K CB 0.051 32.497 32.500 -0.089 0.000 0.795 655 K HN -0.048 nan 8.250 nan 0.000 0.459 656 V N 1.891 121.532 119.914 -0.455 0.000 2.488 656 V HA -0.119 3.996 4.120 -0.008 0.000 0.246 656 V C 1.887 177.728 176.094 -0.420 0.000 1.046 656 V CA 1.173 62.970 62.300 -0.839 0.000 1.053 656 V CB -0.162 31.293 31.823 -0.613 0.000 0.679 656 V HN 0.241 nan 8.190 nan 0.000 0.458 657 I N 0.747 121.137 120.570 -0.300 0.000 2.163 657 I HA -0.143 4.022 4.170 -0.008 0.000 0.243 657 I C -0.252 175.760 176.117 -0.174 0.000 1.085 657 I CA 1.732 62.802 61.300 -0.383 0.000 1.347 657 I CB -1.535 36.129 38.000 -0.561 0.000 1.044 657 I HN 0.374 nan 8.210 nan 0.000 0.408 658 P HA -0.100 nan 4.420 nan 0.000 0.225 658 P C 0.888 178.184 177.300 -0.007 0.000 1.148 658 P CA 1.144 64.222 63.100 -0.037 0.000 0.779 658 P CB 0.057 31.743 31.700 -0.024 0.000 0.780 659 A N -1.264 121.533 122.820 -0.038 0.000 2.308 659 A HA 0.499 4.814 4.320 -0.008 0.000 0.217 659 A C 1.132 178.815 177.584 0.165 0.000 1.216 659 A CA 0.047 52.115 52.037 0.051 0.000 0.864 659 A CB -0.571 18.467 19.000 0.064 0.000 0.902 659 A HN 0.188 nan 8.150 nan 0.000 0.499 660 A N -0.178 122.740 122.820 0.162 0.000 2.340 660 A HA 0.489 4.804 4.320 -0.008 0.000 0.268 660 A C 0.349 178.073 177.584 0.232 0.000 1.100 660 A CA -0.163 52.030 52.037 0.260 0.000 0.803 660 A CB 0.379 19.622 19.000 0.406 0.000 1.043 660 A HN 0.260 nan 8.150 nan 0.000 0.488 661 D N 0.049 120.579 120.400 0.217 0.000 2.431 661 D HA 0.114 4.749 4.640 -0.008 0.000 0.235 661 D C -0.292 176.213 176.300 0.341 0.000 0.980 661 D CA 0.782 54.958 54.000 0.293 0.000 0.912 661 D CB 0.281 41.151 40.800 0.116 0.000 1.056 661 D HN 0.339 nan 8.370 nan 0.000 0.494 662 L N 0.651 121.956 121.223 0.137 0.000 2.356 662 L HA 0.367 4.702 4.340 -0.008 0.000 0.277 662 L C -0.740 175.995 176.870 -0.225 0.000 0.996 662 L CA -0.533 54.312 54.840 0.010 0.000 0.822 662 L CB 2.076 44.122 42.059 -0.021 0.000 1.256 662 L HN -0.287 nan 8.230 nan 0.000 0.413 663 S N 4.085 119.561 115.700 -0.372 0.000 2.429 663 S HA 0.461 4.926 4.470 -0.008 0.000 0.302 663 S C -0.623 173.697 174.600 -0.468 0.000 1.115 663 S CA -0.624 57.103 58.200 -0.788 0.000 1.095 663 S CB 0.381 63.069 63.200 -0.854 0.000 0.987 663 S HN 0.628 nan 8.310 nan 0.000 0.474 664 E N 4.081 124.018 120.200 -0.438 0.000 2.081 664 E HA 0.229 4.574 4.350 -0.008 0.000 0.281 664 E C -0.603 175.889 176.600 -0.180 0.000 0.986 664 E CA -0.459 55.813 56.400 -0.212 0.000 0.796 664 E CB 1.081 30.686 29.700 -0.159 0.000 1.085 664 E HN 0.594 nan 8.360 nan 0.000 0.398 665 Q N 2.822 122.570 119.800 -0.087 0.000 3.064 665 Q HA 0.271 4.606 4.340 -0.008 0.000 0.258 665 Q C 0.552 176.544 176.000 -0.014 0.000 0.972 665 Q CA -0.131 55.635 55.803 -0.062 0.000 0.761 665 Q CB 0.343 29.055 28.738 -0.043 0.000 1.281 665 Q HN 0.621 nan 8.270 nan 0.000 0.455 666 I N -1.574 118.975 120.570 -0.034 0.000 3.736 666 I HA 0.275 4.440 4.170 -0.008 0.000 0.338 666 I C 0.401 176.469 176.117 -0.082 0.000 1.558 666 I CA -0.668 60.621 61.300 -0.019 0.000 1.147 666 I CB 0.368 38.368 38.000 0.000 0.000 1.275 666 I HN 0.006 nan 8.210 nan 0.000 0.454 667 S N 0.325 115.977 115.700 -0.080 0.000 2.573 667 S HA 0.194 4.659 4.470 -0.008 0.000 0.277 667 S C 0.559 175.143 174.600 -0.028 0.000 1.346 667 S CA -0.295 57.876 58.200 -0.050 0.000 1.034 667 S CB 0.412 63.630 63.200 0.030 0.000 0.879 667 S HN 0.386 nan 8.310 nan 0.000 0.528 668 T N 2.643 117.216 114.554 0.032 0.000 2.888 668 T HA 0.401 4.746 4.350 -0.008 0.000 0.301 668 T C 0.745 175.460 174.700 0.025 0.000 1.001 668 T CA 0.215 62.341 62.100 0.043 0.000 1.147 668 T CB 0.060 69.030 68.868 0.170 0.000 0.931 668 T HN 1.000 nan 8.240 nan 0.000 0.541 669 A N 2.756 125.557 122.820 -0.031 0.000 2.580 669 A HA 0.432 4.747 4.320 -0.008 0.000 0.244 669 A C 1.646 179.227 177.584 -0.005 0.000 1.045 669 A CA 0.349 52.364 52.037 -0.036 0.000 0.761 669 A CB -0.927 18.037 19.000 -0.059 0.000 0.962 669 A HN 1.718 nan 8.150 nan 0.000 0.512 670 G N 1.449 110.246 108.800 -0.005 0.000 2.175 670 G HA2 -0.241 3.714 3.960 -0.008 0.000 0.244 670 G HA3 -0.241 3.714 3.960 -0.008 0.000 0.244 670 G C 0.846 175.743 174.900 -0.005 0.000 0.982 670 G CA 1.153 46.252 45.100 -0.002 0.000 0.641 670 G HN 2.016 nan 8.290 nan 0.000 0.527 671 T N -2.604 111.949 114.554 -0.002 0.000 3.038 671 T HA 0.407 4.752 4.350 -0.008 0.000 0.244 671 T C 0.747 175.324 174.700 -0.204 0.000 1.016 671 T CA 1.043 63.087 62.100 -0.093 0.000 1.098 671 T CB 0.545 69.409 68.868 -0.006 0.000 0.954 671 T HN 0.291 nan 8.240 nan 0.000 0.469 672 E N 1.533 121.735 120.200 0.002 0.000 2.052 672 E HA 0.663 5.008 4.350 -0.008 0.000 0.283 672 E C 1.183 177.739 176.600 -0.074 0.000 1.071 672 E CA 0.085 56.524 56.400 0.065 0.000 0.851 672 E CB 0.829 30.616 29.700 0.145 0.000 1.066 672 E HN 0.338 nan 8.360 nan 0.000 0.396 673 A N 3.481 126.175 122.820 -0.211 0.000 1.903 673 A HA -0.244 4.071 4.320 -0.008 0.000 0.219 673 A C 1.983 179.434 177.584 -0.222 0.000 1.191 673 A CA 2.399 54.160 52.037 -0.460 0.000 0.638 673 A CB -0.332 18.205 19.000 -0.771 0.000 0.823 673 A HN 0.617 nan 8.150 nan 0.000 0.451 674 S N -4.124 111.511 115.700 -0.108 0.000 4.193 674 S HA 0.452 4.917 4.470 -0.008 0.000 0.211 674 S C 0.647 175.235 174.600 -0.019 0.000 1.162 674 S CA 1.382 59.564 58.200 -0.029 0.000 1.039 674 S CB -0.081 63.126 63.200 0.011 0.000 1.371 674 S HN 2.324 nan 8.310 nan 0.000 0.550 675 G N 0.326 109.118 108.800 -0.014 0.000 2.719 675 G HA2 -0.019 3.936 3.960 -0.008 0.000 0.686 675 G HA3 -0.019 3.936 3.960 -0.008 0.000 0.686 675 G C 0.222 175.100 174.900 -0.037 0.000 1.201 675 G CA 0.448 45.536 45.100 -0.020 0.000 0.768 675 G HN 1.322 nan 8.290 nan 0.000 0.629 676 T N -1.913 112.604 114.554 -0.061 0.000 3.010 676 T HA 0.376 4.721 4.350 -0.008 0.000 0.253 676 T C 2.359 176.956 174.700 -0.172 0.000 0.939 676 T CA 1.256 63.291 62.100 -0.108 0.000 0.910 676 T CB 0.303 69.098 68.868 -0.122 0.000 1.226 676 T HN 1.884 nan 8.240 nan 0.000 0.508 677 G N 3.115 111.839 108.800 -0.125 0.000 2.422 677 G HA2 -0.254 3.701 3.960 -0.008 0.000 0.218 677 G HA3 -0.254 3.701 3.960 -0.008 0.000 0.218 677 G C 1.465 176.400 174.900 0.059 0.000 1.146 677 G CA 1.150 46.187 45.100 -0.104 0.000 0.769 677 G HN 0.828 nan 8.290 nan 0.000 0.547 678 N N 0.213 118.942 118.700 0.049 0.000 2.094 678 N HA -0.172 4.563 4.740 -0.008 0.000 0.191 678 N C 2.210 177.725 175.510 0.007 0.000 1.023 678 N CA 1.412 54.498 53.050 0.060 0.000 0.857 678 N CB -0.372 38.100 38.487 -0.024 0.000 1.013 678 N HN 0.348 nan 8.380 nan 0.000 0.426 679 M N 0.786 120.321 119.600 -0.109 0.000 2.175 679 M HA -0.034 4.441 4.480 -0.008 0.000 0.264 679 M C 1.968 178.217 176.300 -0.084 0.000 1.063 679 M CA 1.463 56.680 55.300 -0.138 0.000 1.119 679 M CB -0.097 32.428 32.600 -0.125 0.000 1.377 679 M HN 0.120 nan 8.290 nan 0.000 0.415 680 K N -0.039 120.241 120.400 -0.199 0.000 2.097 680 K HA -0.096 4.219 4.320 -0.008 0.000 0.206 680 K C 1.684 178.169 176.600 -0.192 0.000 1.049 680 K CA 1.302 57.411 56.287 -0.296 0.000 0.933 680 K CB -0.243 31.852 32.500 -0.674 0.000 0.717 680 K HN 0.159 nan 8.250 nan 0.000 0.442 681 F N 1.098 120.984 119.950 -0.107 0.000 2.146 681 F HA -0.074 4.447 4.527 -0.009 0.000 0.298 681 F C 2.531 178.308 175.800 -0.038 0.000 1.096 681 F CA 1.097 59.057 58.000 -0.066 0.000 1.275 681 F CB -0.279 38.670 39.000 -0.085 0.000 1.008 681 F HN -0.027 nan 8.300 nan 0.000 0.480 682 M N -0.460 119.228 119.600 0.147 0.000 2.159 682 M HA -0.187 4.288 4.480 -0.008 0.000 0.263 682 M C 2.047 178.404 176.300 0.096 0.000 1.063 682 M CA 1.556 56.914 55.300 0.098 0.000 1.110 682 M CB -0.207 32.444 32.600 0.085 0.000 1.374 682 M HN 0.260 nan 8.290 nan 0.000 0.411 683 L N 0.708 121.985 121.223 0.090 0.000 2.291 683 L HA -0.049 4.286 4.340 -0.008 0.000 0.214 683 L C 1.224 178.142 176.870 0.081 0.000 1.120 683 L CA 1.515 56.414 54.840 0.098 0.000 0.799 683 L CB -0.522 41.605 42.059 0.113 0.000 0.925 683 L HN 0.336 nan 8.230 nan 0.000 0.446 684 N N -0.132 118.608 118.700 0.067 0.000 2.251 684 N HA 0.175 4.910 4.740 -0.008 0.000 0.217 684 N C 0.839 176.390 175.510 0.068 0.000 1.124 684 N CA 0.769 53.853 53.050 0.057 0.000 0.843 684 N CB 0.544 39.045 38.487 0.023 0.000 1.024 684 N HN 0.400 nan 8.380 nan 0.000 0.501 685 G N 0.490 109.334 108.800 0.073 0.000 2.137 685 G HA2 -0.210 3.745 3.960 -0.008 0.000 0.237 685 G HA3 -0.210 3.745 3.960 -0.008 0.000 0.237 685 G C 0.005 174.979 174.900 0.124 0.000 1.002 685 G CA 0.176 45.322 45.100 0.076 0.000 0.702 685 G HN 0.529 nan 8.290 nan 0.000 0.515 686 A N -0.402 122.499 122.820 0.135 0.000 2.320 686 A HA 0.893 5.208 4.320 -0.008 0.000 0.334 686 A C 0.318 177.911 177.584 0.014 0.000 1.147 686 A CA -0.647 51.486 52.037 0.160 0.000 0.820 686 A CB 1.119 20.266 19.000 0.245 0.000 1.218 686 A HN 0.690 nan 8.150 nan 0.000 0.482 687 L N 0.679 121.875 121.223 -0.045 0.000 2.399 687 L HA 0.487 4.822 4.340 -0.008 0.000 0.265 687 L C 0.141 176.877 176.870 -0.225 0.000 1.089 687 L CA -0.397 54.306 54.840 -0.229 0.000 0.802 687 L CB 1.685 43.515 42.059 -0.381 0.000 1.180 687 L HN 0.698 nan 8.230 nan 0.000 0.454 688 T N 2.580 116.870 114.554 -0.441 0.000 2.797 688 T HA 0.480 4.825 4.350 -0.008 0.000 0.279 688 T C -0.500 174.049 174.700 -0.251 0.000 0.991 688 T CA -0.259 61.560 62.100 -0.469 0.000 0.979 688 T CB 1.578 69.960 68.868 -0.809 0.000 0.943 688 T HN 0.359 nan 8.240 nan 0.000 0.444 689 I N 2.857 123.385 120.570 -0.071 0.000 2.362 689 I HA 0.736 4.901 4.170 -0.008 0.000 0.289 689 I C 0.038 176.295 176.117 0.233 0.000 0.994 689 I CA 0.072 61.449 61.300 0.128 0.000 1.158 689 I CB 0.393 38.402 38.000 0.015 0.000 1.315 689 I HN 0.794 nan 8.210 nan 0.000 0.451 690 G N 3.936 112.958 108.800 0.370 0.000 2.550 690 G HA2 0.449 4.404 3.960 -0.008 0.000 0.293 690 G HA3 0.449 4.404 3.960 -0.008 0.000 0.293 690 G C -0.935 173.918 174.900 -0.079 0.000 1.402 690 G CA -0.309 44.934 45.100 0.238 0.000 0.784 690 G HN 0.583 nan 8.290 nan 0.000 0.482 691 T N -1.592 112.780 114.554 -0.302 0.000 2.881 691 T HA 0.542 4.887 4.350 -0.008 0.000 0.278 691 T C 0.653 175.249 174.700 -0.174 0.000 0.982 691 T CA -0.691 61.151 62.100 -0.431 0.000 0.989 691 T CB 1.172 69.792 68.868 -0.413 0.000 1.058 691 T HN 0.259 nan 8.240 nan 0.000 0.529 692 M N 2.806 122.312 119.600 -0.157 0.000 3.237 692 M HA 0.347 4.822 4.480 -0.008 0.000 0.266 692 M C -0.508 175.746 176.300 -0.077 0.000 1.456 692 M CA -0.125 55.119 55.300 -0.093 0.000 1.593 692 M CB -1.626 30.925 32.600 -0.082 0.000 1.129 692 M HN 0.735 nan 8.290 nan 0.000 0.547 693 D N 0.002 120.364 120.400 -0.063 0.000 2.601 693 D HA 0.682 5.317 4.640 -0.008 0.000 0.230 693 D C 0.716 177.001 176.300 -0.026 0.000 1.106 693 D CA 0.704 54.680 54.000 -0.041 0.000 0.873 693 D CB 1.762 42.539 40.800 -0.039 0.000 1.515 693 D HN 0.602 nan 8.370 nan 0.000 0.468 694 G N 1.656 110.449 108.800 -0.012 0.000 2.627 694 G HA2 -0.260 3.695 3.960 -0.008 0.000 0.312 694 G HA3 -0.260 3.695 3.960 -0.008 0.000 0.312 694 G C 1.060 175.958 174.900 -0.004 0.000 1.299 694 G CA 1.178 46.275 45.100 -0.006 0.000 0.989 694 G HN 1.081 nan 8.290 nan 0.000 0.547 695 A N -0.360 122.453 122.820 -0.012 0.000 2.168 695 A HA 0.069 4.384 4.320 -0.008 0.000 0.215 695 A C 2.122 179.654 177.584 -0.087 0.000 1.152 695 A CA 1.909 53.934 52.037 -0.020 0.000 0.716 695 A CB -0.465 18.509 19.000 -0.043 0.000 0.794 695 A HN 0.628 nan 8.150 nan 0.000 0.465 696 N N 0.498 119.156 118.700 -0.070 0.000 2.137 696 N HA -0.152 4.583 4.740 -0.008 0.000 0.190 696 N C 1.587 176.998 175.510 -0.166 0.000 1.017 696 N CA 1.592 54.603 53.050 -0.065 0.000 0.859 696 N CB -0.611 37.884 38.487 0.013 0.000 1.002 696 N HN 0.293 nan 8.380 nan 0.000 0.428 697 V N 1.281 121.130 119.914 -0.108 0.000 2.287 697 V HA -0.214 3.901 4.120 -0.008 0.000 0.248 697 V C 1.966 177.990 176.094 -0.117 0.000 1.053 697 V CA 1.690 63.921 62.300 -0.115 0.000 1.027 697 V CB -0.477 31.310 31.823 -0.060 0.000 0.646 697 V HN 0.360 nan 8.190 nan 0.000 0.447 698 E N -0.623 119.559 120.200 -0.031 0.000 2.152 698 E HA -0.127 4.218 4.350 -0.008 0.000 0.192 698 E C 2.207 178.895 176.600 0.147 0.000 0.983 698 E CA 1.020 57.471 56.400 0.084 0.000 0.818 698 E CB -0.176 29.660 29.700 0.227 0.000 0.758 698 E HN 0.543 nan 8.360 nan 0.000 0.467 699 M N 0.458 120.030 119.600 -0.046 0.000 2.132 699 M HA -0.121 4.354 4.480 -0.008 0.000 0.263 699 M C 2.466 178.480 176.300 -0.477 0.000 1.065 699 M CA 1.478 56.675 55.300 -0.172 0.000 1.122 699 M CB -0.138 32.259 32.600 -0.338 0.000 1.365 699 M HN 0.129 nan 8.290 nan 0.000 0.411 700 A N -0.203 122.072 122.820 -0.910 0.000 1.969 700 A HA -0.199 4.116 4.320 -0.008 0.000 0.218 700 A C 1.983 179.343 177.584 -0.372 0.000 1.169 700 A CA 1.830 53.279 52.037 -0.981 0.000 0.635 700 A CB -0.734 17.762 19.000 -0.840 0.000 0.810 700 A HN 0.579 nan 8.150 nan 0.000 0.445 701 E N -0.366 119.699 120.200 -0.225 0.000 2.106 701 E HA -0.196 4.149 4.350 -0.008 0.000 0.192 701 E C 1.739 178.301 176.600 -0.065 0.000 0.984 701 E CA 1.167 57.502 56.400 -0.109 0.000 0.806 701 E CB -0.041 29.619 29.700 -0.067 0.000 0.750 701 E HN 0.551 nan 8.360 nan 0.000 0.458 702 E N 0.094 120.278 120.200 -0.026 0.000 2.072 702 E HA -0.110 4.235 4.350 -0.008 0.000 0.190 702 E C 1.851 178.460 176.600 0.016 0.000 0.982 702 E CA 1.107 57.516 56.400 0.015 0.000 0.803 702 E CB -0.137 29.621 29.700 0.098 0.000 0.755 702 E HN 0.346 nan 8.360 nan 0.000 0.453 703 A N 0.399 123.228 122.820 0.014 0.000 2.081 703 A HA 0.340 4.655 4.320 -0.008 0.000 0.214 703 A C 1.038 178.627 177.584 0.008 0.000 1.158 703 A CA 1.086 53.149 52.037 0.044 0.000 0.724 703 A CB 0.055 19.138 19.000 0.138 0.000 0.826 703 A HN 0.250 nan 8.150 nan 0.000 0.463 704 G N -0.473 108.303 108.800 -0.041 0.000 3.225 704 G HA2 -0.077 3.878 3.960 -0.008 0.000 0.686 704 G HA3 -0.077 3.878 3.960 -0.008 0.000 0.686 704 G C -0.044 174.827 174.900 -0.047 0.000 1.105 704 G CA -0.019 45.055 45.100 -0.043 0.000 0.831 704 G HN 0.242 nan 8.290 nan 0.000 0.578 705 E N 0.993 121.156 120.200 -0.063 0.000 2.209 705 E HA -0.189 4.156 4.350 -0.008 0.000 0.196 705 E C 1.972 178.556 176.600 -0.028 0.000 0.993 705 E CA 1.779 58.152 56.400 -0.045 0.000 0.819 705 E CB 0.084 29.758 29.700 -0.043 0.000 0.745 705 E HN 0.771 nan 8.360 nan 0.000 0.477 706 E N 0.686 120.858 120.200 -0.046 0.000 2.338 706 E HA -0.076 4.269 4.350 -0.008 0.000 0.197 706 E C 0.946 177.458 176.600 -0.147 0.000 1.007 706 E CA 0.592 56.944 56.400 -0.079 0.000 0.849 706 E CB -0.006 29.660 29.700 -0.057 0.000 0.774 706 E HN 0.164 nan 8.360 nan 0.000 0.506 707 N N -0.279 118.361 118.700 -0.100 0.000 2.251 707 N HA 0.142 4.877 4.740 -0.008 0.000 0.217 707 N C -0.956 174.468 175.510 -0.142 0.000 1.124 707 N CA 0.083 53.043 53.050 -0.150 0.000 0.843 707 N CB 0.389 38.845 38.487 -0.052 0.000 1.024 707 N HN 0.042 nan 8.380 nan 0.000 0.501 708 F N -0.348 119.366 119.950 -0.392 0.000 2.576 708 F HA 0.410 4.932 4.527 -0.009 0.000 0.313 708 F C -0.760 174.789 175.800 -0.418 0.000 1.078 708 F CA -1.143 56.659 58.000 -0.330 0.000 0.921 708 F CB 1.307 40.219 39.000 -0.146 0.000 1.232 708 F HN -0.214 nan 8.300 nan 0.000 0.459 709 F N 5.317 125.257 119.950 -0.016 0.000 2.359 709 F HA 0.370 4.892 4.527 -0.008 0.000 0.355 709 F C -0.217 175.698 175.800 0.192 0.000 1.132 709 F CA -0.609 57.418 58.000 0.045 0.000 1.246 709 F CB -0.139 38.831 39.000 -0.050 0.000 1.569 709 F HN -0.003 nan 8.300 nan 0.000 0.561 710 I N 3.821 124.590 120.570 0.331 0.000 2.472 710 I HA 0.358 4.523 4.170 -0.008 0.000 0.290 710 I C -0.050 176.262 176.117 0.325 0.000 1.016 710 I CA -0.634 60.834 61.300 0.281 0.000 1.348 710 I CB 0.609 38.701 38.000 0.153 0.000 1.417 710 I HN 0.349 nan 8.210 nan 0.000 0.521 711 F N 2.268 122.282 119.950 0.106 0.000 2.745 711 F HA 0.840 5.361 4.527 -0.009 0.000 0.316 711 F C -0.018 175.823 175.800 0.067 0.000 1.155 711 F CA -0.486 57.566 58.000 0.088 0.000 0.937 711 F CB 1.045 40.109 39.000 0.106 0.000 1.361 711 F HN 0.822 nan 8.300 nan 0.000 0.472 712 G N 0.938 109.786 108.800 0.080 0.000 2.796 712 G HA2 -0.077 3.878 3.960 -0.008 0.000 0.571 712 G HA3 -0.077 3.878 3.960 -0.008 0.000 0.571 712 G C -0.857 174.005 174.900 -0.062 0.000 1.370 712 G CA -0.558 44.515 45.100 -0.045 0.000 0.856 712 G HN 0.957 nan 8.290 nan 0.000 0.538 713 M N 0.898 120.472 119.600 -0.043 0.000 2.248 713 M HA 0.273 4.748 4.480 -0.008 0.000 0.337 713 M C 1.316 177.579 176.300 -0.061 0.000 1.121 713 M CA 0.086 55.371 55.300 -0.026 0.000 1.155 713 M CB 0.355 32.949 32.600 -0.010 0.000 1.514 713 M HN 0.535 nan 8.290 nan 0.000 0.452 714 R N 1.182 121.660 120.500 -0.037 0.000 2.549 714 R HA 0.255 4.590 4.340 -0.008 0.000 0.259 714 R C 1.424 177.704 176.300 -0.033 0.000 1.095 714 R CA -0.366 55.708 56.100 -0.043 0.000 1.148 714 R CB 0.071 30.354 30.300 -0.029 0.000 1.181 714 R HN 0.737 nan 8.270 nan 0.000 0.571 715 V N -0.892 119.002 119.914 -0.032 0.000 2.392 715 V HA -0.239 3.876 4.120 -0.008 0.000 0.249 715 V C 1.547 177.631 176.094 -0.018 0.000 1.059 715 V CA 1.823 64.108 62.300 -0.025 0.000 1.051 715 V CB -0.577 31.230 31.823 -0.027 0.000 0.658 715 V HN 0.567 nan 8.190 nan 0.000 0.455 716 E N 1.029 121.221 120.200 -0.015 0.000 2.110 716 E HA -0.160 4.185 4.350 -0.008 0.000 0.193 716 E C 1.968 178.570 176.600 0.003 0.000 0.988 716 E CA 1.687 58.084 56.400 -0.006 0.000 0.804 716 E CB -0.552 29.146 29.700 -0.004 0.000 0.745 716 E HN 0.711 nan 8.360 nan 0.000 0.458 717 D N -0.236 120.167 120.400 0.006 0.000 2.144 717 D HA -0.100 4.535 4.640 -0.008 0.000 0.200 717 D C 1.980 178.292 176.300 0.020 0.000 0.978 717 D CA 0.804 54.817 54.000 0.021 0.000 0.833 717 D CB -0.160 40.654 40.800 0.024 0.000 0.961 717 D HN 0.056 nan 8.370 nan 0.000 0.470 718 V N 1.179 121.093 119.914 -0.000 0.000 2.343 718 V HA -0.237 3.878 4.120 -0.008 0.000 0.247 718 V C 2.138 178.229 176.094 -0.004 0.000 1.051 718 V CA 1.864 64.156 62.300 -0.013 0.000 1.036 718 V CB -0.447 31.360 31.823 -0.027 0.000 0.654 718 V HN 0.075 nan 8.190 nan 0.000 0.451 719 D N -0.288 120.111 120.400 -0.002 0.000 2.144 719 D HA -0.178 4.457 4.640 -0.008 0.000 0.200 719 D C 2.383 178.693 176.300 0.017 0.000 0.978 719 D CA 1.119 55.120 54.000 0.002 0.000 0.833 719 D CB -0.123 40.675 40.800 -0.003 0.000 0.961 719 D HN 0.201 nan 8.370 nan 0.000 0.470 720 R N -0.317 120.197 120.500 0.024 0.000 2.096 720 R HA -0.033 4.301 4.340 -0.008 0.000 0.235 720 R C 2.392 178.725 176.300 0.055 0.000 1.127 720 R CA 0.625 56.747 56.100 0.036 0.000 0.968 720 R CB -0.268 30.055 30.300 0.038 0.000 0.861 720 R HN 0.286 nan 8.270 nan 0.000 0.440 721 L N 0.548 121.811 121.223 0.067 0.000 2.093 721 L HA -0.203 4.132 4.340 -0.008 0.000 0.208 721 L C 1.495 178.427 176.870 0.102 0.000 1.085 721 L CA 1.411 56.316 54.840 0.108 0.000 0.755 721 L CB -0.279 41.852 42.059 0.119 0.000 0.904 721 L HN 0.261 nan 8.230 nan 0.000 0.435 722 D N -0.777 119.659 120.400 0.060 0.000 2.144 722 D HA -0.174 4.461 4.640 -0.008 0.000 0.200 722 D C 2.258 178.589 176.300 0.050 0.000 0.978 722 D CA 0.839 54.869 54.000 0.051 0.000 0.833 722 D CB -0.007 40.802 40.800 0.016 0.000 0.961 722 D HN 0.363 nan 8.370 nan 0.000 0.470 723 Q N 0.569 120.394 119.800 0.042 0.000 2.061 723 Q HA -0.116 4.219 4.340 -0.008 0.000 0.204 723 Q C 2.261 178.288 176.000 0.045 0.000 0.984 723 Q CA 0.920 56.745 55.803 0.036 0.000 0.846 723 Q CB -0.388 28.368 28.738 0.030 0.000 0.902 723 Q HN 0.324 nan 8.270 nan 0.000 0.421 724 R N -0.155 120.380 120.500 0.058 0.000 2.066 724 R HA 0.003 4.338 4.340 -0.008 0.000 0.232 724 R C 0.127 176.470 176.300 0.071 0.000 1.131 724 R CA 1.121 57.259 56.100 0.063 0.000 0.955 724 R CB 0.071 30.416 30.300 0.075 0.000 0.851 724 R HN 0.381 nan 8.270 nan 0.000 0.432 725 G N -0.099 108.760 108.800 0.098 0.000 3.400 725 G HA2 -0.219 3.736 3.960 -0.008 0.000 0.679 725 G HA3 -0.219 3.736 3.960 -0.008 0.000 0.679 725 G C -1.364 173.637 174.900 0.168 0.000 1.239 725 G CA -0.595 44.571 45.100 0.111 0.000 1.049 725 G HN 0.279 nan 8.290 nan 0.000 0.539 726 Y N 3.818 124.156 120.300 0.062 0.000 2.537 726 Y HA 0.505 5.050 4.550 -0.008 0.000 0.339 726 Y C 0.380 176.344 175.900 0.106 0.000 1.066 726 Y CA -0.741 57.416 58.100 0.094 0.000 1.357 726 Y CB 0.820 39.313 38.460 0.055 0.000 1.175 726 Y HN 0.550 nan 8.280 nan 0.000 0.525 727 N N 5.306 123.819 118.700 -0.312 0.000 2.569 727 N HA 0.266 5.001 4.740 -0.008 0.000 0.254 727 N C 0.202 175.495 175.510 -0.362 0.000 1.004 727 N CA 0.367 53.241 53.050 -0.293 0.000 0.904 727 N CB 1.508 39.942 38.487 -0.087 0.000 1.165 727 N HN 0.860 nan 8.380 nan 0.000 0.513 728 A N 3.028 125.520 122.820 -0.547 0.000 1.978 728 A HA -0.216 4.099 4.320 -0.008 0.000 0.220 728 A C 1.902 179.622 177.584 0.227 0.000 1.170 728 A CA 1.447 53.391 52.037 -0.156 0.000 0.636 728 A CB -0.353 18.474 19.000 -0.289 0.000 0.810 728 A HN 0.731 nan 8.150 nan 0.000 0.448 729 Q N 0.243 120.079 119.800 0.062 0.000 2.197 729 Q HA -0.235 4.100 4.340 -0.008 0.000 0.207 729 Q C 1.852 177.934 176.000 0.137 0.000 0.984 729 Q CA 2.265 58.119 55.803 0.084 0.000 0.869 729 Q CB -0.374 28.370 28.738 0.009 0.000 0.906 729 Q HN 0.791 nan 8.270 nan 0.000 0.426 730 E N -1.427 118.805 120.200 0.054 0.000 2.058 730 E HA -0.233 4.112 4.350 -0.008 0.000 0.194 730 E C 1.469 178.011 176.600 -0.096 0.000 0.997 730 E CA 1.428 57.784 56.400 -0.073 0.000 0.801 730 E CB -0.213 29.346 29.700 -0.235 0.000 0.746 730 E HN 0.594 nan 8.360 nan 0.000 0.450 731 Y N -1.108 119.263 120.300 0.119 0.000 2.263 731 Y HA -0.182 4.363 4.550 -0.008 0.000 0.292 731 Y C 2.184 178.084 175.900 0.000 0.000 1.130 731 Y CA 1.406 59.558 58.100 0.087 0.000 1.179 731 Y CB -0.664 37.892 38.460 0.161 0.000 0.998 731 Y HN 0.240 nan 8.280 nan 0.000 0.532 732 Y N 1.277 121.609 120.300 0.053 0.000 2.224 732 Y HA -0.241 4.304 4.550 -0.008 0.000 0.289 732 Y C 1.710 177.579 175.900 -0.052 0.000 1.146 732 Y CA 1.753 59.809 58.100 -0.074 0.000 1.182 732 Y CB -0.344 38.126 38.460 0.017 0.000 0.983 732 Y HN 0.082 nan 8.280 nan 0.000 0.524 733 D N -0.354 120.162 120.400 0.193 0.000 2.194 733 D HA -0.057 4.578 4.640 -0.008 0.000 0.204 733 D C 1.965 178.252 176.300 -0.021 0.000 0.964 733 D CA 1.070 55.123 54.000 0.087 0.000 0.846 733 D CB -0.103 40.761 40.800 0.106 0.000 0.962 733 D HN 0.452 nan 8.370 nan 0.000 0.490 734 R N -0.202 120.281 120.500 -0.028 0.000 2.254 734 R HA 0.269 4.604 4.340 -0.008 0.000 0.195 734 R C 0.483 176.762 176.300 -0.036 0.000 0.957 734 R CA 0.219 56.297 56.100 -0.036 0.000 1.024 734 R CB 0.896 31.170 30.300 -0.044 0.000 0.952 734 R HN 0.109 nan 8.270 nan 0.000 0.484 735 I N 1.786 122.318 120.570 -0.063 0.000 2.405 735 I HA 0.211 4.376 4.170 -0.008 0.000 0.280 735 I C -1.988 174.037 176.117 -0.154 0.000 1.027 735 I CA -2.392 58.870 61.300 -0.062 0.000 1.161 735 I CB 1.929 39.918 38.000 -0.018 0.000 1.300 735 I HN -0.266 nan 8.210 nan 0.000 0.463 736 P HA -0.183 nan 4.420 nan 0.000 0.215 736 P C 1.206 178.410 177.300 -0.160 0.000 1.157 736 P CA 1.449 64.461 63.100 -0.147 0.000 0.874 736 P CB 0.286 31.933 31.700 -0.090 0.000 0.790 737 E N -1.032 119.111 120.200 -0.094 0.000 2.118 737 E HA -0.189 4.155 4.350 -0.008 0.000 0.195 737 E C 1.882 178.380 176.600 -0.170 0.000 0.992 737 E CA 0.800 57.157 56.400 -0.071 0.000 0.804 737 E CB -0.626 29.104 29.700 0.049 0.000 0.741 737 E HN 0.117 nan 8.360 nan 0.000 0.458 738 L N 1.238 122.275 121.223 -0.310 0.000 2.056 738 L HA -0.127 4.208 4.340 -0.008 0.000 0.207 738 L C 2.355 178.943 176.870 -0.471 0.000 1.078 738 L CA 1.640 56.128 54.840 -0.586 0.000 0.749 738 L CB -0.338 41.228 42.059 -0.822 0.000 0.901 738 L HN -0.090 nan 8.230 nan 0.000 0.433 739 R N -0.741 119.459 120.500 -0.501 0.000 2.091 739 R HA -0.253 4.082 4.340 -0.008 0.000 0.238 739 R C 2.395 178.496 176.300 -0.331 0.000 1.136 739 R CA 2.025 57.729 56.100 -0.661 0.000 0.959 739 R CB -0.359 29.476 30.300 -0.776 0.000 0.856 739 R HN 0.647 nan 8.270 nan 0.000 0.437 740 Q N 0.447 120.103 119.800 -0.240 0.000 2.096 740 Q HA -0.183 4.152 4.340 -0.008 0.000 0.204 740 Q C 2.037 177.969 176.000 -0.114 0.000 0.982 740 Q CA 1.911 57.623 55.803 -0.152 0.000 0.850 740 Q CB -0.112 28.544 28.738 -0.136 0.000 0.901 740 Q HN 0.483 nan 8.270 nan 0.000 0.422 741 I N 0.622 121.120 120.570 -0.120 0.000 2.179 741 I HA -0.276 3.889 4.170 -0.008 0.000 0.242 741 I C 2.134 178.252 176.117 0.003 0.000 1.088 741 I CA 0.659 61.925 61.300 -0.057 0.000 1.357 741 I CB -0.331 37.615 38.000 -0.090 0.000 1.051 741 I HN 0.305 nan 8.210 nan 0.000 0.409 742 I N 0.913 121.485 120.570 0.003 0.000 2.286 742 I HA -0.248 3.917 4.170 -0.008 0.000 0.248 742 I C 2.452 178.655 176.117 0.143 0.000 1.115 742 I CA 1.694 63.069 61.300 0.124 0.000 1.392 742 I CB -1.319 36.845 38.000 0.274 0.000 1.065 742 I HN 0.366 nan 8.210 nan 0.000 0.418 743 E N 0.376 120.639 120.200 0.105 0.000 2.106 743 E HA -0.219 4.126 4.350 -0.008 0.000 0.192 743 E C 2.150 178.803 176.600 0.088 0.000 0.984 743 E CA 0.830 57.291 56.400 0.101 0.000 0.806 743 E CB -0.127 29.605 29.700 0.054 0.000 0.750 743 E HN 0.605 nan 8.360 nan 0.000 0.458 744 Q N 0.532 120.361 119.800 0.047 0.000 2.079 744 Q HA -0.115 4.220 4.340 -0.008 0.000 0.200 744 Q C 2.383 178.522 176.000 0.231 0.000 0.974 744 Q CA 0.955 56.786 55.803 0.046 0.000 0.840 744 Q CB -0.054 28.604 28.738 -0.133 0.000 0.898 744 Q HN 0.298 nan 8.270 nan 0.000 0.430 745 L N 0.050 121.421 121.223 0.245 0.000 2.046 745 L HA -0.190 4.145 4.340 -0.008 0.000 0.208 745 L C 2.441 179.480 176.870 0.281 0.000 1.077 745 L CA 1.000 56.009 54.840 0.283 0.000 0.747 745 L CB -0.345 41.805 42.059 0.153 0.000 0.896 745 L HN 0.149 nan 8.230 nan 0.000 0.432 746 S N -0.286 115.538 115.700 0.207 0.000 2.368 746 S HA -0.147 4.318 4.470 -0.008 0.000 0.224 746 S C 2.074 176.774 174.600 0.166 0.000 1.029 746 S CA 1.470 59.777 58.200 0.178 0.000 0.988 746 S CB -0.258 63.028 63.200 0.143 0.000 0.838 746 S HN 0.598 nan 8.310 nan 0.000 0.462 747 S N 0.677 116.474 115.700 0.161 0.000 2.515 747 S HA 0.267 4.732 4.470 -0.008 0.000 0.231 747 S C 1.458 176.148 174.600 0.150 0.000 0.987 747 S CA 0.699 58.983 58.200 0.139 0.000 0.936 747 S CB -0.332 62.944 63.200 0.127 0.000 0.766 747 S HN 0.867 nan 8.310 nan 0.000 0.528 748 G N 0.611 109.533 108.800 0.204 0.000 2.132 748 G HA2 -0.284 3.671 3.960 -0.008 0.000 0.228 748 G HA3 -0.284 3.671 3.960 -0.008 0.000 0.228 748 G C 0.133 175.131 174.900 0.163 0.000 1.000 748 G CA 0.128 45.344 45.100 0.193 0.000 0.693 748 G HN 0.537 nan 8.290 nan 0.000 0.515 749 F N 0.191 120.144 119.950 0.004 0.000 2.216 749 F HA 0.254 4.776 4.527 -0.008 0.000 0.300 749 F C 1.781 177.392 175.800 -0.314 0.000 1.085 749 F CA 1.635 59.517 58.000 -0.198 0.000 1.326 749 F CB -0.030 38.767 39.000 -0.338 0.000 1.027 749 F HN 0.160 nan 8.300 nan 0.000 0.497 750 F N -0.239 119.877 119.950 0.277 0.000 2.664 750 F HA 0.217 4.739 4.527 -0.008 0.000 0.303 750 F C 0.681 176.604 175.800 0.204 0.000 1.092 750 F CA 0.242 58.347 58.000 0.175 0.000 1.305 750 F CB -0.127 38.947 39.000 0.122 0.000 1.054 750 F HN 0.003 nan 8.300 nan 0.000 0.565 751 S N -2.219 113.654 115.700 0.289 0.000 2.606 751 S HA 0.304 4.769 4.470 -0.008 0.000 0.156 751 S C -2.415 172.228 174.600 0.072 0.000 1.308 751 S CA -0.961 57.349 58.200 0.184 0.000 1.228 751 S CB 0.675 63.983 63.200 0.181 0.000 1.568 751 S HN -0.169 nan 8.310 nan 0.000 0.397 752 P HA -0.166 nan 4.420 nan 0.000 0.216 752 P C 1.252 178.548 177.300 -0.007 0.000 1.157 752 P CA 1.552 64.636 63.100 -0.026 0.000 0.880 752 P CB 0.083 31.739 31.700 -0.073 0.000 0.791 753 K N -1.190 119.208 120.400 -0.003 0.000 2.217 753 K HA -0.051 4.264 4.320 -0.008 0.000 0.202 753 K C 0.639 177.243 176.600 0.007 0.000 1.051 753 K CA 0.911 57.198 56.287 0.000 0.000 0.952 753 K CB -0.062 32.439 32.500 0.002 0.000 0.736 753 K HN 0.347 nan 8.250 nan 0.000 0.453 754 Q N -0.284 119.522 119.800 0.010 0.000 3.064 754 Q HA 0.154 4.489 4.340 -0.008 0.000 0.258 754 Q C -2.371 173.635 176.000 0.011 0.000 0.972 754 Q CA -1.616 54.188 55.803 0.002 0.000 0.761 754 Q CB 1.619 30.350 28.738 -0.012 0.000 1.281 754 Q HN -0.097 nan 8.270 nan 0.000 0.455 755 P HA -0.236 nan 4.420 nan 0.000 0.217 755 P C 0.582 177.929 177.300 0.077 0.000 1.151 755 P CA 1.554 64.691 63.100 0.062 0.000 0.849 755 P CB 0.205 31.936 31.700 0.051 0.000 0.787 756 D N -1.590 118.837 120.400 0.045 0.000 2.388 756 D HA -0.000 4.635 4.640 -0.008 0.000 0.221 756 D C 1.513 177.816 176.300 0.005 0.000 1.133 756 D CA -0.296 53.735 54.000 0.053 0.000 0.831 756 D CB -0.824 40.005 40.800 0.048 0.000 0.962 756 D HN 0.008 nan 8.370 nan 0.000 0.502 757 L N -0.062 121.105 121.223 -0.092 0.000 2.043 757 L HA -0.061 4.274 4.340 -0.008 0.000 0.212 757 L C 1.072 177.704 176.870 -0.398 0.000 1.075 757 L CA 1.733 56.387 54.840 -0.310 0.000 0.752 757 L CB -0.653 41.043 42.059 -0.605 0.000 0.891 757 L HN 0.009 nan 8.230 nan 0.000 0.432 758 F N -0.387 119.618 119.950 0.092 0.000 2.660 758 F HA 0.149 4.672 4.527 -0.008 0.000 0.297 758 F C 1.863 177.709 175.800 0.076 0.000 1.132 758 F CA -0.005 58.037 58.000 0.070 0.000 1.372 758 F CB -0.472 38.556 39.000 0.048 0.000 1.003 758 F HN 0.127 nan 8.300 nan 0.000 0.524 759 K N -0.242 120.265 120.400 0.178 0.000 2.103 759 K HA -0.192 4.123 4.320 -0.008 0.000 0.207 759 K C 1.032 177.722 176.600 0.150 0.000 1.048 759 K CA 2.015 58.392 56.287 0.150 0.000 0.930 759 K CB -0.278 32.289 32.500 0.112 0.000 0.716 759 K HN 0.089 nan 8.250 nan 0.000 0.444 760 D N 1.217 121.717 120.400 0.166 0.000 2.144 760 D HA -0.094 4.541 4.640 -0.008 0.000 0.199 760 D C 2.060 178.446 176.300 0.143 0.000 0.984 760 D CA 1.180 55.290 54.000 0.182 0.000 0.834 760 D CB -0.090 40.862 40.800 0.253 0.000 0.955 760 D HN 0.332 nan 8.370 nan 0.000 0.465 761 I N 0.490 121.147 120.570 0.145 0.000 2.202 761 I HA -0.210 3.955 4.170 -0.008 0.000 0.242 761 I C 2.478 178.614 176.117 0.031 0.000 1.091 761 I CA 0.574 61.925 61.300 0.086 0.000 1.368 761 I CB -0.224 37.841 38.000 0.109 0.000 1.058 761 I HN -0.125 nan 8.210 nan 0.000 0.410 762 V N 1.378 121.334 119.914 0.070 0.000 2.287 762 V HA -0.312 3.803 4.120 -0.008 0.000 0.248 762 V C 2.295 178.350 176.094 -0.065 0.000 1.053 762 V CA 2.394 64.715 62.300 0.034 0.000 1.027 762 V CB -0.977 30.898 31.823 0.086 0.000 0.646 762 V HN 0.496 nan 8.190 nan 0.000 0.447 763 N N -0.057 118.636 118.700 -0.011 0.000 2.104 763 N HA -0.221 4.514 4.740 -0.008 0.000 0.190 763 N C 1.815 177.194 175.510 -0.219 0.000 1.024 763 N CA 1.953 55.000 53.050 -0.004 0.000 0.853 763 N CB -0.307 38.270 38.487 0.151 0.000 1.008 763 N HN 0.361 nan 8.380 nan 0.000 0.424 764 M N 0.101 119.527 119.600 -0.289 0.000 2.099 764 M HA -0.055 4.420 4.480 -0.008 0.000 0.262 764 M C 1.775 177.776 176.300 -0.499 0.000 1.067 764 M CA 1.212 56.117 55.300 -0.657 0.000 1.124 764 M CB -0.621 31.833 32.600 -0.242 0.000 1.353 764 M HN 0.255 nan 8.290 nan 0.000 0.410 765 L N -0.107 120.906 121.223 -0.350 0.000 2.083 765 L HA -0.251 4.084 4.340 -0.008 0.000 0.209 765 L C 2.540 179.038 176.870 -0.621 0.000 1.083 765 L CA 0.981 55.531 54.840 -0.483 0.000 0.752 765 L CB -0.606 41.203 42.059 -0.417 0.000 0.899 765 L HN 0.319 nan 8.230 nan 0.000 0.433 766 M N -1.465 117.823 119.600 -0.520 0.000 2.288 766 M HA -0.066 4.409 4.480 -0.008 0.000 0.266 766 M C 1.896 177.813 176.300 -0.638 0.000 1.072 766 M CA 1.600 56.537 55.300 -0.605 0.000 1.132 766 M CB -0.754 31.367 32.600 -0.799 0.000 1.386 766 M HN 0.310 nan 8.290 nan 0.000 0.432 767 H N -1.941 117.028 119.070 -0.168 0.000 2.927 767 H HA 0.197 4.748 4.556 -0.008 0.000 0.255 767 H C 0.080 175.423 175.328 0.025 0.000 0.974 767 H CA 0.603 56.614 56.048 -0.061 0.000 1.199 767 H CB 0.149 29.929 29.762 0.031 0.000 1.447 767 H HN 0.558 nan 8.280 nan 0.000 0.467 768 H N -1.321 117.794 119.070 0.076 0.000 2.695 768 H HA 0.312 4.863 4.556 -0.008 0.000 0.222 768 H C -1.397 173.949 175.328 0.032 0.000 1.412 768 H CA -0.704 55.381 56.048 0.062 0.000 1.347 768 H CB -0.042 29.761 29.762 0.067 0.000 1.858 768 H HN -0.129 nan 8.280 nan 0.000 0.519 769 D N 1.402 121.808 120.400 0.011 0.000 2.428 769 D HA 0.174 4.809 4.640 -0.008 0.000 0.221 769 D C 0.807 177.058 176.300 -0.081 0.000 1.123 769 D CA -0.568 53.420 54.000 -0.020 0.000 0.869 769 D CB 0.806 41.574 40.800 -0.055 0.000 1.032 769 D HN 0.533 nan 8.370 nan 0.000 0.506 770 R N 2.273 122.633 120.500 -0.234 0.000 2.237 770 R HA -0.027 4.308 4.340 -0.008 0.000 0.219 770 R C 0.611 176.397 176.300 -0.857 0.000 1.080 770 R CA 0.856 56.609 56.100 -0.578 0.000 0.995 770 R CB 0.084 29.867 30.300 -0.861 0.000 0.875 770 R HN 0.401 nan 8.270 nan 0.000 0.462 771 F N 0.622 120.535 119.950 -0.062 0.000 2.639 771 F HA 0.250 4.772 4.527 -0.008 0.000 0.302 771 F C 0.081 175.755 175.800 -0.209 0.000 1.097 771 F CA -0.654 57.290 58.000 -0.094 0.000 1.294 771 F CB 0.083 39.083 39.000 0.001 0.000 1.027 771 F HN -0.242 nan 8.300 nan 0.000 0.550 772 K N -0.368 119.827 120.400 -0.342 0.000 3.278 772 K HA -0.187 4.128 4.320 -0.008 0.000 0.270 772 K C 1.012 177.481 176.600 -0.217 0.000 0.955 772 K CA 0.186 56.094 56.287 -0.631 0.000 0.723 772 K CB -1.828 30.207 32.500 -0.775 0.000 1.382 772 K HN 0.217 nan 8.250 nan 0.000 0.461 773 V N 0.004 119.874 119.914 -0.073 0.000 2.287 773 V HA -0.285 3.830 4.120 -0.008 0.000 0.248 773 V C 1.964 178.196 176.094 0.230 0.000 1.053 773 V CA 2.267 64.605 62.300 0.063 0.000 1.027 773 V CB -0.507 31.352 31.823 0.061 0.000 0.646 773 V HN 0.513 nan 8.190 nan 0.000 0.447 774 F N 0.213 120.159 119.950 -0.007 0.000 2.216 774 F HA -0.177 4.345 4.527 -0.009 0.000 0.300 774 F C 2.524 178.116 175.800 -0.347 0.000 1.085 774 F CA 0.605 58.544 58.000 -0.101 0.000 1.326 774 F CB -0.370 38.577 39.000 -0.089 0.000 1.027 774 F HN 0.202 nan 8.300 nan 0.000 0.497 775 A N -0.441 122.218 122.820 -0.268 0.000 2.019 775 A HA -0.197 4.118 4.320 -0.008 0.000 0.219 775 A C 1.479 179.067 177.584 0.008 0.000 1.164 775 A CA 1.884 53.705 52.037 -0.360 0.000 0.644 775 A CB -0.444 18.450 19.000 -0.177 0.000 0.805 775 A HN 0.236 nan 8.150 nan 0.000 0.449 776 D N -2.867 117.590 120.400 0.095 0.000 2.398 776 D HA 0.088 4.723 4.640 -0.008 0.000 0.210 776 D C 1.148 177.616 176.300 0.280 0.000 1.094 776 D CA -0.058 54.069 54.000 0.212 0.000 0.839 776 D CB -0.105 40.828 40.800 0.220 0.000 0.963 776 D HN 0.580 nan 8.370 nan 0.000 0.506 777 Y N 2.146 122.530 120.300 0.140 0.000 2.097 777 Y HA -0.235 4.310 4.550 -0.008 0.000 0.282 777 Y C 2.109 178.096 175.900 0.145 0.000 1.152 777 Y CA 1.919 60.110 58.100 0.152 0.000 1.136 777 Y CB 0.183 38.697 38.460 0.090 0.000 0.975 777 Y HN -0.100 nan 8.280 nan 0.000 0.498 778 E N -0.060 120.227 120.200 0.146 0.000 2.038 778 E HA -0.260 4.085 4.350 -0.008 0.000 0.195 778 E C 2.223 178.803 176.600 -0.033 0.000 1.000 778 E CA 1.582 57.993 56.400 0.018 0.000 0.803 778 E CB -0.197 29.604 29.700 0.168 0.000 0.750 778 E HN 0.612 nan 8.360 nan 0.000 0.448 779 E N -0.366 119.889 120.200 0.092 0.000 2.153 779 E HA -0.207 4.138 4.350 -0.008 0.000 0.194 779 E C 1.888 178.489 176.600 0.001 0.000 0.988 779 E CA 0.745 57.218 56.400 0.121 0.000 0.811 779 E CB -0.088 29.776 29.700 0.273 0.000 0.746 779 E HN 0.258 nan 8.360 nan 0.000 0.466 780 Y N 1.005 121.135 120.300 -0.283 0.000 2.114 780 Y HA -0.232 4.313 4.550 -0.008 0.000 0.284 780 Y C 2.118 177.624 175.900 -0.658 0.000 1.143 780 Y CA 1.104 58.711 58.100 -0.821 0.000 1.135 780 Y CB -0.572 37.480 38.460 -0.681 0.000 0.980 780 Y HN -0.193 nan 8.280 nan 0.000 0.499 781 V N 0.902 120.467 119.914 -0.581 0.000 2.287 781 V HA -0.353 3.762 4.120 -0.008 0.000 0.248 781 V C 2.329 178.184 176.094 -0.398 0.000 1.053 781 V CA 2.437 64.405 62.300 -0.554 0.000 1.027 781 V CB -0.649 30.879 31.823 -0.492 0.000 0.646 781 V HN 0.345 nan 8.190 nan 0.000 0.447 782 K N -0.921 119.314 120.400 -0.275 0.000 2.057 782 K HA -0.219 4.096 4.320 -0.008 0.000 0.207 782 K C 2.299 178.789 176.600 -0.182 0.000 1.049 782 K CA 1.733 57.920 56.287 -0.167 0.000 0.931 782 K CB -0.618 31.837 32.500 -0.076 0.000 0.714 782 K HN 0.539 nan 8.250 nan 0.000 0.440 783 C N 1.508 120.668 119.300 -0.233 0.000 2.425 783 C HA -0.089 4.366 4.460 -0.008 0.000 0.277 783 C C 2.651 177.422 174.990 -0.364 0.000 1.280 783 C CA 0.798 59.696 59.018 -0.200 0.000 1.744 783 C CB -0.649 26.985 27.740 -0.178 0.000 1.989 783 C HN 0.423 nan 8.230 nan 0.000 0.491 784 Q N 0.438 119.893 119.800 -0.575 0.000 2.170 784 Q HA -0.152 4.183 4.340 -0.008 0.000 0.203 784 Q C 2.027 177.808 176.000 -0.365 0.000 0.976 784 Q CA 1.563 56.989 55.803 -0.627 0.000 0.858 784 Q CB -0.357 27.783 28.738 -0.997 0.000 0.907 784 Q HN 0.767 nan 8.270 nan 0.000 0.433 785 E N 0.166 120.212 120.200 -0.258 0.000 2.106 785 E HA -0.121 4.224 4.350 -0.008 0.000 0.192 785 E C 2.015 178.550 176.600 -0.109 0.000 0.984 785 E CA 0.475 56.787 56.400 -0.146 0.000 0.806 785 E CB -0.053 29.585 29.700 -0.103 0.000 0.750 785 E HN 0.249 nan 8.360 nan 0.000 0.458 786 R N 0.538 120.973 120.500 -0.109 0.000 2.148 786 R HA -0.056 4.279 4.340 -0.008 0.000 0.227 786 R C 2.323 178.575 176.300 -0.080 0.000 1.103 786 R CA 0.592 56.685 56.100 -0.011 0.000 0.983 786 R CB -0.087 30.274 30.300 0.101 0.000 0.874 786 R HN 0.053 nan 8.270 nan 0.000 0.451 787 V N 0.195 119.880 119.914 -0.383 0.000 2.323 787 V HA -0.199 3.916 4.120 -0.008 0.000 0.244 787 V C 2.072 178.133 176.094 -0.055 0.000 1.041 787 V CA 1.829 63.810 62.300 -0.531 0.000 1.025 787 V CB -0.207 31.204 31.823 -0.686 0.000 0.656 787 V HN 0.261 nan 8.190 nan 0.000 0.451 788 S N 0.220 115.864 115.700 -0.093 0.000 2.399 788 S HA -0.137 4.328 4.470 -0.008 0.000 0.231 788 S C 2.181 176.832 174.600 0.085 0.000 1.022 788 S CA 1.304 59.491 58.200 -0.022 0.000 0.983 788 S CB -0.408 62.744 63.200 -0.080 0.000 0.803 788 S HN 0.639 nan 8.310 nan 0.000 0.480 789 A N 1.354 124.221 122.820 0.079 0.000 1.898 789 A HA 0.041 4.356 4.320 -0.008 0.000 0.216 789 A C 2.070 179.763 177.584 0.181 0.000 1.181 789 A CA 0.974 53.081 52.037 0.116 0.000 0.620 789 A CB -0.645 18.411 19.000 0.093 0.000 0.819 789 A HN 0.462 nan 8.150 nan 0.000 0.442 790 L N -1.996 119.390 121.223 0.271 0.000 2.093 790 L HA -0.134 4.201 4.340 -0.008 0.000 0.208 790 L C 2.433 179.585 176.870 0.470 0.000 1.085 790 L CA 1.675 56.748 54.840 0.390 0.000 0.755 790 L CB -0.412 41.969 42.059 0.536 0.000 0.904 790 L HN 0.580 nan 8.230 nan 0.000 0.435 791 Y N 1.051 121.518 120.300 0.277 0.000 2.333 791 Y HA -0.248 4.298 4.550 -0.007 0.000 0.290 791 Y C 2.336 178.188 175.900 -0.080 0.000 1.144 791 Y CA 1.539 59.564 58.100 -0.126 0.000 1.228 791 Y CB -0.067 38.115 38.460 -0.463 0.000 0.985 791 Y HN 0.080 nan 8.280 nan 0.000 0.542 792 K N -0.152 120.291 120.400 0.072 0.000 2.439 792 K HA -0.099 4.216 4.320 -0.008 0.000 0.197 792 K C 0.401 176.988 176.600 -0.022 0.000 1.041 792 K CA 0.577 56.884 56.287 0.033 0.000 0.970 792 K CB -0.046 32.522 32.500 0.113 0.000 0.773 792 K HN 0.053 nan 8.250 nan 0.000 0.479 793 N N 0.602 119.304 118.700 0.003 0.000 2.976 793 N HA 0.130 4.865 4.740 -0.008 0.000 0.255 793 N C -2.447 173.063 175.510 -0.000 0.000 1.312 793 N CA -2.100 50.958 53.050 0.012 0.000 0.897 793 N CB 1.074 39.600 38.487 0.065 0.000 1.184 793 N HN -0.192 nan 8.380 nan 0.000 0.497 794 P HA -0.248 nan 4.420 nan 0.000 0.219 794 P C 1.386 178.689 177.300 0.005 0.000 1.161 794 P CA 1.491 64.513 63.100 -0.129 0.000 0.909 794 P CB 0.300 31.905 31.700 -0.158 0.000 0.793 795 R N -0.282 120.224 120.500 0.009 0.000 2.081 795 R HA -0.161 4.174 4.340 -0.008 0.000 0.235 795 R C 1.996 178.334 176.300 0.064 0.000 1.131 795 R CA 1.453 57.572 56.100 0.031 0.000 0.960 795 R CB -0.384 29.926 30.300 0.017 0.000 0.856 795 R HN 0.105 nan 8.270 nan 0.000 0.436 796 E N -0.094 120.154 120.200 0.081 0.000 2.152 796 E HA -0.205 4.140 4.350 -0.008 0.000 0.192 796 E C 1.579 178.253 176.600 0.124 0.000 0.983 796 E CA 0.608 57.059 56.400 0.086 0.000 0.818 796 E CB -0.396 29.354 29.700 0.082 0.000 0.758 796 E HN 0.520 nan 8.360 nan 0.000 0.467 797 W N 2.185 123.480 121.300 -0.008 0.000 2.355 797 W HA -0.163 4.492 4.660 -0.010 0.000 0.309 797 W C 1.585 178.106 176.519 0.003 0.000 1.206 797 W CA 1.996 59.351 57.345 0.018 0.000 1.284 797 W CB -0.466 28.981 29.460 -0.020 0.000 1.145 797 W HN 0.011 nan 8.180 nan 0.000 0.502 798 T N 1.331 116.041 114.554 0.259 0.000 2.788 798 T HA -0.175 4.170 4.350 -0.008 0.000 0.268 798 T C 1.862 176.572 174.700 0.017 0.000 1.044 798 T CA 1.728 63.904 62.100 0.127 0.000 1.139 798 T CB -0.275 68.639 68.868 0.076 0.000 0.867 798 T HN 0.177 nan 8.240 nan 0.000 0.454 799 R N 0.410 120.922 120.500 0.021 0.000 2.092 799 R HA 0.099 4.434 4.340 -0.008 0.000 0.231 799 R C 2.498 178.783 176.300 -0.025 0.000 1.119 799 R CA 1.168 57.276 56.100 0.013 0.000 0.970 799 R CB -0.332 29.983 30.300 0.025 0.000 0.864 799 R HN 0.368 nan 8.270 nan 0.000 0.440 800 M N 0.499 120.050 119.600 -0.082 0.000 2.175 800 M HA -0.133 4.342 4.480 -0.008 0.000 0.264 800 M C 1.905 178.111 176.300 -0.156 0.000 1.063 800 M CA 1.338 56.550 55.300 -0.146 0.000 1.119 800 M CB 0.191 32.641 32.600 -0.252 0.000 1.377 800 M HN -0.021 nan 8.290 nan 0.000 0.415 801 V N 0.895 120.702 119.914 -0.179 0.000 2.295 801 V HA -0.312 3.803 4.120 -0.008 0.000 0.246 801 V C 2.228 178.299 176.094 -0.038 0.000 1.049 801 V CA 2.009 64.234 62.300 -0.124 0.000 1.024 801 V CB -0.600 31.183 31.823 -0.067 0.000 0.648 801 V HN 0.512 nan 8.190 nan 0.000 0.447 802 I N -0.571 119.992 120.570 -0.012 0.000 2.264 802 I HA -0.273 3.892 4.170 -0.008 0.000 0.248 802 I C 2.705 178.866 176.117 0.073 0.000 1.111 802 I CA 1.582 62.917 61.300 0.058 0.000 1.382 802 I CB -0.442 37.630 38.000 0.121 0.000 1.060 802 I HN 0.227 nan 8.210 nan 0.000 0.418 803 R N 0.449 120.971 120.500 0.037 0.000 2.148 803 R HA -0.104 4.231 4.340 -0.008 0.000 0.227 803 R C 1.986 178.316 176.300 0.050 0.000 1.103 803 R CA 1.095 57.218 56.100 0.038 0.000 0.983 803 R CB -0.342 29.964 30.300 0.010 0.000 0.874 803 R HN 0.549 nan 8.270 nan 0.000 0.451 804 N N 0.512 119.236 118.700 0.040 0.000 2.148 804 N HA -0.058 4.677 4.740 -0.008 0.000 0.186 804 N C 1.951 177.519 175.510 0.097 0.000 1.031 804 N CA 0.951 54.048 53.050 0.079 0.000 0.848 804 N CB 0.009 38.519 38.487 0.039 0.000 1.005 804 N HN 0.107 nan 8.380 nan 0.000 0.427 805 I N 1.728 122.343 120.570 0.075 0.000 2.208 805 I HA -0.253 3.912 4.170 -0.008 0.000 0.245 805 I C 2.474 178.643 176.117 0.087 0.000 1.097 805 I CA 0.930 62.280 61.300 0.083 0.000 1.363 805 I CB -0.353 37.688 38.000 0.069 0.000 1.051 805 I HN 0.101 nan 8.210 nan 0.000 0.413 806 A N 0.307 123.178 122.820 0.086 0.000 2.070 806 A HA -0.180 4.135 4.320 -0.008 0.000 0.220 806 A C 2.063 179.687 177.584 0.066 0.000 1.159 806 A CA 2.138 54.219 52.037 0.074 0.000 0.656 806 A CB -0.869 18.180 19.000 0.081 0.000 0.800 806 A HN 0.552 nan 8.150 nan 0.000 0.453 807 T N -3.067 111.539 114.554 0.087 0.000 3.174 807 T HA 0.203 4.548 4.350 -0.008 0.000 0.269 807 T C 1.111 175.899 174.700 0.148 0.000 1.017 807 T CA 0.618 62.771 62.100 0.089 0.000 0.899 807 T CB -0.166 68.752 68.868 0.083 0.000 1.077 807 T HN 0.484 nan 8.240 nan 0.000 0.552 808 S N 0.097 115.902 115.700 0.176 0.000 2.593 808 S HA 0.242 4.707 4.470 -0.008 0.000 0.217 808 S C 2.223 176.949 174.600 0.210 0.000 0.966 808 S CA 0.297 58.676 58.200 0.298 0.000 0.914 808 S CB -0.655 62.692 63.200 0.244 0.000 0.776 808 S HN 0.526 nan 8.310 nan 0.000 0.523 809 G N 2.772 111.620 108.800 0.080 0.000 2.505 809 G HA2 -0.319 3.636 3.960 -0.008 0.000 0.220 809 G HA3 -0.319 3.636 3.960 -0.008 0.000 0.220 809 G C 1.326 176.174 174.900 -0.087 0.000 1.145 809 G CA 1.118 46.230 45.100 0.020 0.000 0.761 809 G HN 0.622 nan 8.290 nan 0.000 0.571 810 K N -0.132 120.096 120.400 -0.286 0.000 2.281 810 K HA -0.031 4.284 4.320 -0.008 0.000 0.203 810 K C 1.287 177.533 176.600 -0.590 0.000 1.046 810 K CA 0.753 56.728 56.287 -0.520 0.000 0.938 810 K CB -0.276 31.742 32.500 -0.804 0.000 0.737 810 K HN 0.409 nan 8.250 nan 0.000 0.458 811 F N 0.955 120.933 119.950 0.047 0.000 2.693 811 F HA 0.127 4.649 4.527 -0.009 0.000 0.303 811 F C 0.814 176.658 175.800 0.073 0.000 1.143 811 F CA -0.549 57.486 58.000 0.058 0.000 1.389 811 F CB 0.342 39.373 39.000 0.052 0.000 1.060 811 F HN -0.110 nan 8.300 nan 0.000 0.535 812 S N 0.291 116.067 115.700 0.126 0.000 2.548 812 S HA 0.077 4.542 4.470 -0.008 0.000 0.277 812 S C 1.440 176.118 174.600 0.130 0.000 1.315 812 S CA -0.211 58.064 58.200 0.126 0.000 1.050 812 S CB 0.851 64.095 63.200 0.074 0.000 0.918 812 S HN 0.343 nan 8.310 nan 0.000 0.497 813 S N 3.146 118.947 115.700 0.168 0.000 2.507 813 S HA -0.068 4.397 4.470 -0.008 0.000 0.235 813 S C 0.919 175.572 174.600 0.088 0.000 0.988 813 S CA 0.652 58.972 58.200 0.200 0.000 0.944 813 S CB -0.314 63.074 63.200 0.313 0.000 0.762 813 S HN 0.784 nan 8.310 nan 0.000 0.526 814 D N 1.820 122.256 120.400 0.060 0.000 2.144 814 D HA -0.057 4.578 4.640 -0.008 0.000 0.200 814 D C 2.112 178.415 176.300 0.005 0.000 0.978 814 D CA 0.683 54.697 54.000 0.023 0.000 0.833 814 D CB -0.297 40.514 40.800 0.019 0.000 0.961 814 D HN 0.294 nan 8.370 nan 0.000 0.470 815 R N 0.852 121.357 120.500 0.009 0.000 2.066 815 R HA -0.078 4.257 4.340 -0.008 0.000 0.232 815 R C 1.862 178.153 176.300 -0.014 0.000 1.131 815 R CA 1.334 57.425 56.100 -0.014 0.000 0.955 815 R CB -0.775 29.504 30.300 -0.036 0.000 0.851 815 R HN 0.100 nan 8.270 nan 0.000 0.432 816 T N 2.350 116.919 114.554 0.024 0.000 2.652 816 T HA -0.127 4.218 4.350 -0.008 0.000 0.267 816 T C 1.936 176.637 174.700 0.001 0.000 1.039 816 T CA 1.445 63.578 62.100 0.055 0.000 1.153 816 T CB -0.152 68.825 68.868 0.182 0.000 0.863 816 T HN 0.107 nan 8.240 nan 0.000 0.428 817 I N 1.724 122.213 120.570 -0.135 0.000 2.286 817 I HA -0.122 4.043 4.170 -0.008 0.000 0.248 817 I C 2.897 178.965 176.117 -0.082 0.000 1.115 817 I CA 0.998 62.181 61.300 -0.196 0.000 1.392 817 I CB -1.632 36.260 38.000 -0.180 0.000 1.065 817 I HN 0.201 nan 8.210 nan 0.000 0.418 818 A N 0.189 122.981 122.820 -0.047 0.000 1.933 818 A HA -0.229 4.086 4.320 -0.008 0.000 0.218 818 A C 2.254 179.794 177.584 -0.073 0.000 1.175 818 A CA 1.382 53.399 52.037 -0.033 0.000 0.628 818 A CB -0.522 18.465 19.000 -0.022 0.000 0.814 818 A HN 0.513 nan 8.150 nan 0.000 0.444 819 Q N -1.879 117.861 119.800 -0.101 0.000 2.083 819 Q HA -0.154 4.181 4.340 -0.008 0.000 0.198 819 Q C 1.925 177.760 176.000 -0.276 0.000 0.969 819 Q CA 1.579 57.284 55.803 -0.163 0.000 0.838 819 Q CB -0.303 28.329 28.738 -0.176 0.000 0.900 819 Q HN 0.817 nan 8.270 nan 0.000 0.436 820 Y N 0.638 120.649 120.300 -0.483 0.000 2.128 820 Y HA -0.280 4.265 4.550 -0.009 0.000 0.284 820 Y C 2.475 177.790 175.900 -0.975 0.000 1.154 820 Y CA 1.280 58.841 58.100 -0.899 0.000 1.149 820 Y CB -0.387 37.242 38.460 -1.385 0.000 0.976 820 Y HN 0.158 nan 8.280 nan 0.000 0.505 821 A N 0.291 122.871 122.820 -0.400 0.000 1.883 821 A HA -0.216 4.099 4.320 -0.008 0.000 0.217 821 A C 2.255 179.847 177.584 0.014 0.000 1.186 821 A CA 1.982 54.028 52.037 0.015 0.000 0.624 821 A CB -0.533 18.558 19.000 0.151 0.000 0.822 821 A HN 0.412 nan 8.150 nan 0.000 0.444 822 R N -0.567 119.905 120.500 -0.047 0.000 2.075 822 R HA -0.037 4.297 4.340 -0.008 0.000 0.226 822 R C 1.820 178.096 176.300 -0.041 0.000 1.114 822 R CA 1.451 57.536 56.100 -0.024 0.000 0.972 822 R CB -0.220 30.062 30.300 -0.030 0.000 0.869 822 R HN 0.674 nan 8.270 nan 0.000 0.437 823 E N -0.343 119.793 120.200 -0.107 0.000 2.400 823 E HA 0.076 4.421 4.350 -0.008 0.000 0.195 823 E C 1.479 178.029 176.600 -0.083 0.000 1.012 823 E CA 0.500 56.842 56.400 -0.097 0.000 0.875 823 E CB 0.489 30.104 29.700 -0.141 0.000 0.859 823 E HN 0.327 nan 8.360 nan 0.000 0.498 824 I N -1.125 119.362 120.570 -0.139 0.000 3.739 824 I HA 0.021 4.186 4.170 -0.008 0.000 0.272 824 I C 1.325 177.578 176.117 0.227 0.000 1.167 824 I CA -0.082 61.196 61.300 -0.037 0.000 1.386 824 I CB 0.219 38.055 38.000 -0.273 0.000 1.490 824 I HN 0.108 nan 8.210 nan 0.000 0.452 825 W N 1.571 122.969 121.300 0.163 0.000 2.658 825 W HA 0.299 4.954 4.660 -0.008 0.000 0.263 825 W C 1.603 178.165 176.519 0.073 0.000 1.274 825 W CA 0.900 58.324 57.345 0.132 0.000 1.343 825 W CB -1.100 28.427 29.460 0.112 0.000 1.106 825 W HN 0.363 nan 8.180 nan 0.000 0.615 826 G N 0.774 109.717 108.800 0.239 0.000 2.160 826 G HA2 -0.163 3.792 3.960 -0.008 0.000 0.244 826 G HA3 -0.163 3.792 3.960 -0.008 0.000 0.244 826 G C -0.168 174.808 174.900 0.126 0.000 1.022 826 G CA 0.253 45.437 45.100 0.139 0.000 0.741 826 G HN 0.360 nan 8.290 nan 0.000 0.508 827 V N -4.285 115.727 119.914 0.162 0.000 3.001 827 V HA 0.932 5.047 4.120 -0.008 0.000 0.314 827 V C -0.298 175.856 176.094 0.101 0.000 1.099 827 V CA -1.651 60.722 62.300 0.122 0.000 0.989 827 V CB 2.301 34.203 31.823 0.133 0.000 1.040 827 V HN 0.101 nan 8.190 nan 0.000 0.434 828 E N 3.331 123.573 120.200 0.071 0.000 2.156 828 E HA 0.523 4.868 4.350 -0.008 0.000 0.279 828 E C -2.514 174.122 176.600 0.059 0.000 0.965 828 E CA -1.764 54.670 56.400 0.056 0.000 0.789 828 E CB 1.927 31.652 29.700 0.041 0.000 1.098 828 E HN 0.766 nan 8.360 nan 0.000 0.397 829 P HA 0.115 nan 4.420 nan 0.000 0.274 829 P C -0.556 176.772 177.300 0.047 0.000 1.237 829 P CA -0.359 62.774 63.100 0.056 0.000 0.793 829 P CB 1.029 32.757 31.700 0.047 0.000 0.977 830 S N 0.849 116.578 115.700 0.049 0.000 2.614 830 S HA 0.313 4.778 4.470 -0.008 0.000 0.288 830 S C 0.496 175.121 174.600 0.042 0.000 1.137 830 S CA -0.739 57.489 58.200 0.046 0.000 0.992 830 S CB 0.879 64.113 63.200 0.057 0.000 1.026 830 S HN 0.278 nan 8.310 nan 0.000 0.486 831 R N 2.432 122.952 120.500 0.034 0.000 2.359 831 R HA 0.186 4.521 4.340 -0.008 0.000 0.231 831 R C 0.024 176.337 176.300 0.022 0.000 0.913 831 R CA 0.023 56.142 56.100 0.031 0.000 1.075 831 R CB 0.081 30.399 30.300 0.030 0.000 1.087 831 R HN 0.685 nan 8.270 nan 0.000 0.515 832 Q N 1.284 121.097 119.800 0.021 0.000 2.289 832 Q HA 0.038 4.373 4.340 -0.008 0.000 0.273 832 Q C -0.203 175.794 176.000 -0.005 0.000 1.029 832 Q CA 0.276 56.085 55.803 0.010 0.000 0.896 832 Q CB 0.736 29.483 28.738 0.016 0.000 1.182 832 Q HN -0.150 nan 8.270 nan 0.000 0.385 833 R N 1.562 122.051 120.500 -0.019 0.000 2.679 833 R HA 0.081 4.416 4.340 -0.008 0.000 0.268 833 R C -0.566 175.702 176.300 -0.053 0.000 1.044 833 R CA -0.086 55.992 56.100 -0.038 0.000 1.105 833 R CB 0.248 30.522 30.300 -0.043 0.000 0.989 833 R HN 0.418 nan 8.270 nan 0.000 0.447 834 L N 4.814 125.994 121.223 -0.071 0.000 2.399 834 L HA 0.364 4.699 4.340 -0.008 0.000 0.266 834 L C -1.599 175.212 176.870 -0.098 0.000 1.114 834 L CA -2.078 52.694 54.840 -0.114 0.000 0.804 834 L CB 1.225 43.203 42.059 -0.134 0.000 1.146 834 L HN 0.603 nan 8.230 nan 0.000 0.451 835 P HA 0.040 nan 4.420 nan 0.000 0.249 835 P C -0.921 176.346 177.300 -0.055 0.000 1.227 835 P CA 0.691 63.745 63.100 -0.078 0.000 0.753 835 P CB 0.013 31.663 31.700 -0.084 0.000 0.966 836 A N 0.000 122.788 122.820 -0.053 0.000 2.254 836 A HA 0.000 4.315 4.320 -0.008 0.000 0.244 836 A CA 0.000 52.019 52.037 -0.031 0.000 0.836 836 A CB 0.000 18.985 19.000 -0.024 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486