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 1k08_1_A DATA FIRST_RESID 13 DATA SEQUENCE ISVRGLAGVE NVTELKKNFN RHLHFTLVKD RNVATPRDYY FALAHTVRDH DATA SEQUENCE LVGRWIRTQQ HYYEKDPKRI YYLSLEFYMG RTLQNTMVNL ALENACDEAT DATA SEQUENCE YQLGLDMEEL EEIEEDAGLG NGGLGRLAAC FLDSMATLGL AAYGYGIRYE DATA SEQUENCE FGIFNQKICG GWQMEEADDW LRYGNPWEKA RPEFTLPVHF YGRVEHTSQG DATA SEQUENCE AKWVDTQVVL AMPYDTPVPG YRNNVVNTMR LWSAKAPNDF NLKDFNVGGY DATA SEQUENCE IQAVLDRNLA ENISRVLYPN DNFFEGKELR LKQEYFVVAA TLQDIIRRFK DATA SEQUENCE SSKXXXXXXX XTNFDAFPDK VAIQLNDTHP SLAIPELMRV LVDLERLDWD DATA SEQUENCE KAWEVTVKTC AYTNHTVIPE ALERWPVHLL ETLLPRHLQI IYEINQRFLN DATA SEQUENCE RVAAAFPGDV DRLRRMSLVE EGAVKRINMA HLCIAGSHAV NGVARIHSEI DATA SEQUENCE LKKTIFKDFY ELEPHKFQNK TNGITPRRWL VLCNPGLAEI IAERIGEEYI DATA SEQUENCE SDLDQLRKLL SYVDDEAFIR DVAKVKQENK LKFAAYLERE YKVHINPNSL DATA SEQUENCE FDVQVKRIHE YKRQLLNCLH VITLYNRIKK EPNKFVVPRT VMIGGKAAPG DATA SEQUENCE YHMAKMIIKL ITAIGDVVNH DPVVGDRLRV IFLENYRVSL AEKVIPAADL DATA SEQUENCE SEQISTAGTE ASGTGNMKFM LNGALTIGTM DGANVEMAEE AGEENFFIFG DATA SEQUENCE MRVEDVDRLD QRGYNAQEYY DRIPELRQII EQLSSGFFSP KQPDLFKDIV DATA SEQUENCE NMLMHHDRFK VFADYEEYVK CQERVSALYK NPREWTRMVI RNIATSGKFS DATA SEQUENCE SDRTIAQYAR EIWGVEPSRQ RLPAP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 13 I HA 0.000 nan 4.170 nan 0.000 0.288 13 I C 0.000 176.104 176.117 -0.022 0.000 1.063 13 I CA 0.000 61.279 61.300 -0.036 0.000 1.566 13 I CB 0.000 37.968 38.000 -0.053 0.000 1.214 14 S N -0.175 115.517 115.700 -0.014 0.000 2.655 14 S HA 0.161 4.624 4.470 -0.011 0.000 0.275 14 S C -0.856 173.744 174.600 0.000 0.000 0.899 14 S CA -0.368 57.831 58.200 -0.002 0.000 1.080 14 S CB 1.019 64.218 63.200 -0.003 0.000 1.359 14 S HN -0.046 nan 8.310 nan 0.000 0.453 15 V N 3.049 122.970 119.914 0.011 0.000 3.067 15 V HA 0.227 4.340 4.120 -0.011 0.000 0.388 15 V C 1.074 177.174 176.094 0.010 0.000 1.330 15 V CA 0.455 62.762 62.300 0.011 0.000 1.501 15 V CB -0.777 31.059 31.823 0.022 0.000 1.382 15 V HN 0.515 nan 8.190 nan 0.000 0.532 16 R N 1.905 122.404 120.500 -0.000 0.000 3.907 16 R HA 0.380 4.714 4.340 -0.011 0.000 0.241 16 R C 1.060 177.349 176.300 -0.018 0.000 1.784 16 R CA 0.509 56.605 56.100 -0.006 0.000 1.509 16 R CB -0.051 30.241 30.300 -0.013 0.000 1.275 16 R HN 0.627 nan 8.270 nan 0.000 0.642 17 G N 0.354 109.143 108.800 -0.019 0.000 2.787 17 G HA2 -0.233 3.721 3.960 -0.011 0.000 0.685 17 G HA3 -0.233 3.721 3.960 -0.011 0.000 0.685 17 G C -0.838 174.045 174.900 -0.029 0.000 1.437 17 G CA -1.095 43.985 45.100 -0.033 0.000 0.872 17 G HN 0.061 nan 8.290 nan 0.000 0.566 18 L N 0.480 121.685 121.223 -0.031 0.000 2.379 18 L HA 0.733 5.066 4.340 -0.011 0.000 0.269 18 L C 1.215 178.070 176.870 -0.025 0.000 1.084 18 L CA 0.067 54.892 54.840 -0.024 0.000 0.802 18 L CB 1.240 43.286 42.059 -0.021 0.000 1.175 18 L HN 1.540 nan 8.230 nan 0.000 0.448 19 A N 1.828 124.636 122.820 -0.019 0.000 2.937 19 A HA 0.602 4.915 4.320 -0.011 0.000 0.338 19 A C 0.616 178.196 177.584 -0.007 0.000 1.273 19 A CA -0.341 51.688 52.037 -0.015 0.000 0.937 19 A CB -0.392 18.599 19.000 -0.016 0.000 1.133 19 A HN 0.774 nan 8.150 nan 0.000 0.491 20 G N 0.184 108.981 108.800 -0.005 0.000 2.491 20 G HA2 0.356 4.309 3.960 -0.011 0.000 0.238 20 G HA3 0.356 4.309 3.960 -0.011 0.000 0.238 20 G C 1.223 176.128 174.900 0.009 0.000 1.277 20 G CA 0.193 45.294 45.100 0.002 0.000 0.851 20 G HN 1.402 nan 8.290 nan 0.000 0.573 21 V N 0.549 120.469 119.914 0.010 0.000 2.343 21 V HA -0.117 3.997 4.120 -0.011 0.000 0.247 21 V C 2.121 178.227 176.094 0.019 0.000 1.051 21 V CA 2.491 64.800 62.300 0.014 0.000 1.036 21 V CB -0.660 31.171 31.823 0.012 0.000 0.654 21 V HN 0.703 nan 8.190 nan 0.000 0.451 22 E N 0.695 120.907 120.200 0.020 0.000 2.107 22 E HA -0.093 4.250 4.350 -0.011 0.000 0.191 22 E C 2.115 178.737 176.600 0.036 0.000 0.982 22 E CA 1.354 57.770 56.400 0.026 0.000 0.809 22 E CB -0.246 29.468 29.700 0.024 0.000 0.756 22 E HN 0.742 nan 8.360 nan 0.000 0.459 23 N N -0.809 117.911 118.700 0.033 0.000 2.142 23 N HA -0.131 4.602 4.740 -0.011 0.000 0.186 23 N C 1.488 177.026 175.510 0.046 0.000 1.023 23 N CA 1.001 54.077 53.050 0.043 0.000 0.852 23 N CB 0.127 38.628 38.487 0.022 0.000 0.998 23 N HN -0.034 nan 8.380 nan 0.000 0.424 24 V N -0.227 119.706 119.914 0.032 0.000 2.427 24 V HA -0.169 3.944 4.120 -0.011 0.000 0.248 24 V C 1.956 178.074 176.094 0.040 0.000 1.051 24 V CA 1.763 64.082 62.300 0.031 0.000 1.048 24 V CB -0.740 31.097 31.823 0.022 0.000 0.666 24 V HN 0.421 nan 8.190 nan 0.000 0.456 25 T N -0.423 114.154 114.554 0.040 0.000 2.737 25 T HA -0.205 4.139 4.350 -0.011 0.000 0.265 25 T C 1.908 176.644 174.700 0.060 0.000 1.038 25 T CA 1.726 63.851 62.100 0.042 0.000 1.144 25 T CB -0.157 68.731 68.868 0.034 0.000 0.866 25 T HN 0.480 nan 8.240 nan 0.000 0.434 26 E N 0.727 120.968 120.200 0.069 0.000 2.077 26 E HA -0.088 4.255 4.350 -0.011 0.000 0.193 26 E C 1.932 178.608 176.600 0.127 0.000 0.989 26 E CA 0.740 57.194 56.400 0.090 0.000 0.800 26 E CB -0.462 29.294 29.700 0.094 0.000 0.746 26 E HN 0.151 nan 8.360 nan 0.000 0.452 27 L N 0.894 122.198 121.223 0.135 0.000 2.017 27 L HA -0.130 4.203 4.340 -0.011 0.000 0.208 27 L C 2.161 179.139 176.870 0.180 0.000 1.073 27 L CA 1.818 56.762 54.840 0.173 0.000 0.745 27 L CB -0.823 41.309 42.059 0.122 0.000 0.894 27 L HN 0.095 nan 8.230 nan 0.000 0.432 28 K N -0.228 120.241 120.400 0.115 0.000 2.063 28 K HA -0.227 4.086 4.320 -0.011 0.000 0.208 28 K C 2.024 178.730 176.600 0.177 0.000 1.048 28 K CA 1.836 58.186 56.287 0.105 0.000 0.928 28 K CB -0.104 32.420 32.500 0.039 0.000 0.713 28 K HN 0.395 nan 8.250 nan 0.000 0.442 29 K N 0.138 120.622 120.400 0.140 0.000 2.155 29 K HA -0.065 4.248 4.320 -0.011 0.000 0.203 29 K C 1.517 178.213 176.600 0.160 0.000 1.052 29 K CA 1.417 57.783 56.287 0.132 0.000 0.948 29 K CB -0.020 32.532 32.500 0.086 0.000 0.728 29 K HN -0.006 nan 8.250 nan 0.000 0.448 30 N N 0.196 119.007 118.700 0.185 0.000 2.354 30 N HA -0.092 4.641 4.740 -0.011 0.000 0.179 30 N C 1.449 177.139 175.510 0.300 0.000 1.021 30 N CA 0.805 53.970 53.050 0.192 0.000 0.887 30 N CB -0.159 38.453 38.487 0.207 0.000 0.974 30 N HN 0.259 nan 8.380 nan 0.000 0.437 31 F N 2.194 122.254 119.950 0.184 0.000 2.146 31 F HA -0.007 4.513 4.527 -0.011 0.000 0.298 31 F C 1.944 177.856 175.800 0.187 0.000 1.096 31 F CA 1.075 59.197 58.000 0.203 0.000 1.275 31 F CB -0.080 39.008 39.000 0.147 0.000 1.008 31 F HN -0.065 nan 8.300 nan 0.000 0.480 32 N N 0.514 119.430 118.700 0.360 0.000 2.188 32 N HA -0.141 4.593 4.740 -0.011 0.000 0.184 32 N C 2.074 177.652 175.510 0.113 0.000 1.018 32 N CA 0.691 53.871 53.050 0.217 0.000 0.858 32 N CB -0.450 38.156 38.487 0.198 0.000 0.989 32 N HN 0.309 nan 8.380 nan 0.000 0.426 33 R N 0.570 121.146 120.500 0.126 0.000 2.080 33 R HA -0.110 4.224 4.340 -0.011 0.000 0.236 33 R C 1.805 178.169 176.300 0.108 0.000 1.137 33 R CA 1.504 57.696 56.100 0.154 0.000 0.943 33 R CB -0.505 29.818 30.300 0.039 0.000 0.846 33 R HN 0.437 nan 8.270 nan 0.000 0.431 34 H N -0.162 118.947 119.070 0.065 0.000 2.353 34 H HA -0.145 4.405 4.556 -0.011 0.000 0.300 34 H C 1.872 177.126 175.328 -0.123 0.000 1.090 34 H CA 1.535 57.556 56.048 -0.044 0.000 1.327 34 H CB -0.051 29.655 29.762 -0.093 0.000 1.383 34 H HN 0.078 nan 8.280 nan 0.000 0.508 35 L N -0.037 121.147 121.223 -0.065 0.000 2.079 35 L HA -0.208 4.125 4.340 -0.011 0.000 0.210 35 L C 2.152 178.983 176.870 -0.064 0.000 1.081 35 L CA 1.917 56.684 54.840 -0.121 0.000 0.752 35 L CB -0.435 41.542 42.059 -0.136 0.000 0.896 35 L HN 0.321 nan 8.230 nan 0.000 0.433 36 H N -1.840 117.131 119.070 -0.165 0.000 2.287 36 H HA -0.018 4.531 4.556 -0.011 0.000 0.309 36 H C 1.778 176.889 175.328 -0.362 0.000 1.059 36 H CA 2.053 57.913 56.048 -0.313 0.000 1.357 36 H CB -0.282 29.189 29.762 -0.486 0.000 1.409 36 H HN 0.271 nan 8.280 nan 0.000 0.515 37 F N -0.296 119.619 119.950 -0.059 0.000 2.293 37 F HA -0.010 4.510 4.527 -0.011 0.000 0.297 37 F C 2.470 178.177 175.800 -0.154 0.000 1.089 37 F CA 1.335 59.253 58.000 -0.137 0.000 1.377 37 F CB -0.279 38.682 39.000 -0.065 0.000 1.051 37 F HN 0.194 nan 8.300 nan 0.000 0.511 38 T N -0.455 114.110 114.554 0.019 0.000 2.953 38 T HA 0.047 4.390 4.350 -0.011 0.000 0.247 38 T C 1.710 176.306 174.700 -0.173 0.000 1.029 38 T CA 0.637 62.683 62.100 -0.089 0.000 1.144 38 T CB -0.078 68.719 68.868 -0.118 0.000 0.870 38 T HN -0.058 nan 8.240 nan 0.000 0.446 39 L N 0.961 122.083 121.223 -0.169 0.000 2.416 39 L HA 0.294 4.627 4.340 -0.011 0.000 0.216 39 L C 0.736 177.502 176.870 -0.173 0.000 1.098 39 L CA 0.356 55.087 54.840 -0.181 0.000 0.840 39 L CB -0.784 41.180 42.059 -0.158 0.000 0.981 39 L HN 0.054 nan 8.230 nan 0.000 0.462 40 V N 0.313 120.104 119.914 -0.204 0.000 6.078 40 V HA -0.292 3.821 4.120 -0.011 0.000 0.301 40 V C 0.540 176.517 176.094 -0.195 0.000 0.571 40 V CA 0.838 62.987 62.300 -0.252 0.000 0.625 40 V CB -2.016 29.688 31.823 -0.198 0.000 0.271 40 V HN 0.427 nan 8.190 nan 0.000 0.788 41 K N 1.131 121.428 120.400 -0.171 0.000 2.283 41 K HA 0.761 5.074 4.320 -0.011 0.000 0.257 41 K C -0.723 175.849 176.600 -0.046 0.000 1.066 41 K CA -0.373 55.850 56.287 -0.107 0.000 0.891 41 K CB 2.818 35.249 32.500 -0.114 0.000 1.438 41 K HN 0.627 nan 8.250 nan 0.000 0.464 42 D N -0.203 120.189 120.400 -0.014 0.000 2.753 42 D HA 0.227 4.860 4.640 -0.011 0.000 0.224 42 D C 0.351 176.684 176.300 0.055 0.000 1.213 42 D CA -0.562 53.461 54.000 0.038 0.000 0.833 42 D CB 1.452 42.274 40.800 0.036 0.000 1.607 42 D HN 0.186 nan 8.370 nan 0.000 0.463 43 R N 0.984 121.550 120.500 0.111 0.000 2.294 43 R HA -0.137 4.196 4.340 -0.011 0.000 0.250 43 R C 0.907 177.286 176.300 0.132 0.000 1.181 43 R CA 0.913 57.120 56.100 0.178 0.000 1.016 43 R CB -0.785 29.616 30.300 0.169 0.000 0.869 43 R HN 0.539 nan 8.270 nan 0.000 0.476 44 N N 0.130 118.873 118.700 0.072 0.000 2.412 44 N HA -0.031 4.702 4.740 -0.011 0.000 0.184 44 N C 1.312 176.841 175.510 0.033 0.000 1.101 44 N CA 0.957 54.038 53.050 0.053 0.000 0.881 44 N CB 0.657 39.165 38.487 0.035 0.000 0.969 44 N HN 0.223 nan 8.380 nan 0.000 0.459 45 V N -3.491 116.430 119.914 0.011 0.000 3.382 45 V HA 0.505 4.618 4.120 -0.011 0.000 0.296 45 V C 0.676 176.736 176.094 -0.057 0.000 1.529 45 V CA -0.658 61.633 62.300 -0.014 0.000 1.048 45 V CB -0.205 31.606 31.823 -0.021 0.000 0.878 45 V HN 0.016 nan 8.190 nan 0.000 0.442 46 A N 2.248 125.006 122.820 -0.103 0.000 2.488 46 A HA 0.600 4.914 4.320 -0.011 0.000 0.249 46 A C 0.749 178.145 177.584 -0.312 0.000 1.083 46 A CA 0.832 52.686 52.037 -0.306 0.000 0.768 46 A CB -0.113 18.538 19.000 -0.581 0.000 1.017 46 A HN 0.766 nan 8.150 nan 0.000 0.496 47 T N 0.648 115.039 114.554 -0.272 0.000 2.936 47 T HA 0.546 4.889 4.350 -0.011 0.000 0.282 47 T C -2.152 172.484 174.700 -0.107 0.000 1.003 47 T CA -1.788 60.247 62.100 -0.108 0.000 1.005 47 T CB 1.132 69.989 68.868 -0.019 0.000 1.097 47 T HN 0.271 nan 8.240 nan 0.000 0.532 48 P HA -0.097 nan 4.420 nan 0.000 0.217 48 P C 1.543 178.967 177.300 0.207 0.000 1.148 48 P CA 0.873 64.127 63.100 0.258 0.000 0.828 48 P CB 0.072 31.883 31.700 0.185 0.000 0.783 49 R N -0.021 120.550 120.500 0.117 0.000 2.092 49 R HA -0.121 4.212 4.340 -0.011 0.000 0.231 49 R C 1.629 178.103 176.300 0.290 0.000 1.119 49 R CA 1.633 57.837 56.100 0.173 0.000 0.970 49 R CB -0.612 29.752 30.300 0.107 0.000 0.864 49 R HN 0.075 nan 8.270 nan 0.000 0.440 50 D N -0.346 120.121 120.400 0.111 0.000 2.117 50 D HA -0.175 4.458 4.640 -0.011 0.000 0.198 50 D C 1.664 177.998 176.300 0.057 0.000 0.982 50 D CA 1.222 55.248 54.000 0.043 0.000 0.828 50 D CB -0.266 40.411 40.800 -0.204 0.000 0.967 50 D HN 0.283 nan 8.370 nan 0.000 0.464 51 Y N 0.156 120.565 120.300 0.183 0.000 2.181 51 Y HA -0.211 4.332 4.550 -0.011 0.000 0.288 51 Y C 2.330 178.379 175.900 0.249 0.000 1.146 51 Y CA 0.354 58.607 58.100 0.254 0.000 1.164 51 Y CB -1.116 37.541 38.460 0.327 0.000 0.982 51 Y HN 0.095 nan 8.280 nan 0.000 0.515 52 Y N -0.629 119.821 120.300 0.249 0.000 2.145 52 Y HA -0.265 4.279 4.550 -0.011 0.000 0.286 52 Y C 2.012 177.906 175.900 -0.010 0.000 1.145 52 Y CA 1.211 59.355 58.100 0.074 0.000 1.148 52 Y CB -1.180 37.215 38.460 -0.109 0.000 0.981 52 Y HN 0.056 nan 8.280 nan 0.000 0.507 53 F N 0.266 120.011 119.950 -0.340 0.000 2.171 53 F HA -0.159 4.361 4.527 -0.011 0.000 0.300 53 F C 2.655 178.320 175.800 -0.226 0.000 1.090 53 F CA 1.258 59.015 58.000 -0.404 0.000 1.293 53 F CB -0.705 38.221 39.000 -0.123 0.000 1.013 53 F HN 0.215 nan 8.300 nan 0.000 0.486 54 A N -0.151 122.645 122.820 -0.040 0.000 1.908 54 A HA -0.207 4.106 4.320 -0.011 0.000 0.218 54 A C 2.045 179.562 177.584 -0.112 0.000 1.181 54 A CA 1.688 53.578 52.037 -0.244 0.000 0.627 54 A CB -1.034 17.449 19.000 -0.861 0.000 0.818 54 A HN 0.361 nan 8.150 nan 0.000 0.445 55 L N -0.375 120.901 121.223 0.088 0.000 2.027 55 L HA -0.012 4.321 4.340 -0.011 0.000 0.206 55 L C 2.719 179.595 176.870 0.010 0.000 1.074 55 L CA 2.118 57.103 54.840 0.242 0.000 0.745 55 L CB -0.749 41.501 42.059 0.318 0.000 0.898 55 L HN 0.341 nan 8.230 nan 0.000 0.433 56 A N -1.302 121.353 122.820 -0.274 0.000 1.908 56 A HA -0.292 4.022 4.320 -0.011 0.000 0.218 56 A C 2.125 179.394 177.584 -0.526 0.000 1.181 56 A CA 2.080 53.845 52.037 -0.454 0.000 0.627 56 A CB -1.076 17.324 19.000 -1.000 0.000 0.818 56 A HN 0.675 nan 8.150 nan 0.000 0.445 57 H N -0.834 117.959 119.070 -0.461 0.000 2.389 57 H HA -0.043 4.506 4.556 -0.011 0.000 0.299 57 H C 2.330 177.385 175.328 -0.455 0.000 1.081 57 H CA 1.974 57.661 56.048 -0.602 0.000 1.345 57 H CB -0.111 29.037 29.762 -1.023 0.000 1.393 57 H HN 0.474 nan 8.280 nan 0.000 0.520 58 T N -0.441 114.052 114.554 -0.102 0.000 2.777 58 T HA -0.119 4.224 4.350 -0.011 0.000 0.266 58 T C 2.246 177.113 174.700 0.278 0.000 1.040 58 T CA 1.244 63.463 62.100 0.200 0.000 1.141 58 T CB -0.364 68.697 68.868 0.322 0.000 0.868 58 T HN 0.089 nan 8.240 nan 0.000 0.444 59 V N 1.606 121.655 119.914 0.224 0.000 2.379 59 V HA -0.106 4.007 4.120 -0.011 0.000 0.245 59 V C 2.637 178.923 176.094 0.321 0.000 1.044 59 V CA 1.563 64.038 62.300 0.291 0.000 1.036 59 V CB -0.596 31.383 31.823 0.260 0.000 0.664 59 V HN 0.377 nan 8.190 nan 0.000 0.453 60 R N 0.155 120.791 120.500 0.227 0.000 2.127 60 R HA -0.209 4.124 4.340 -0.011 0.000 0.238 60 R C 1.855 178.260 176.300 0.176 0.000 1.134 60 R CA 1.899 58.131 56.100 0.220 0.000 0.975 60 R CB -0.388 29.884 30.300 -0.047 0.000 0.865 60 R HN 0.466 nan 8.270 nan 0.000 0.447 61 D N -0.009 120.477 120.400 0.144 0.000 2.178 61 D HA -0.155 4.479 4.640 -0.011 0.000 0.201 61 D C 1.519 177.823 176.300 0.008 0.000 0.980 61 D CA 1.071 55.118 54.000 0.079 0.000 0.842 61 D CB -0.291 40.540 40.800 0.051 0.000 0.948 61 D HN 0.481 nan 8.370 nan 0.000 0.472 62 H N -0.346 118.787 119.070 0.104 0.000 2.546 62 H HA 0.063 4.612 4.556 -0.011 0.000 0.277 62 H C 2.053 177.419 175.328 0.065 0.000 1.004 62 H CA 0.316 56.409 56.048 0.075 0.000 1.231 62 H CB 0.504 30.301 29.762 0.057 0.000 1.382 62 H HN 0.204 nan 8.280 nan 0.000 0.580 63 L N -0.371 120.958 121.223 0.176 0.000 2.202 63 L HA -0.070 4.264 4.340 -0.011 0.000 0.205 63 L C 2.516 179.500 176.870 0.190 0.000 1.083 63 L CA 0.139 55.052 54.840 0.120 0.000 0.790 63 L CB -0.086 42.006 42.059 0.056 0.000 0.942 63 L HN -0.008 nan 8.230 nan 0.000 0.452 64 V N 0.670 120.718 119.914 0.223 0.000 2.250 64 V HA -0.334 3.779 4.120 -0.011 0.000 0.250 64 V C 2.635 178.836 176.094 0.179 0.000 1.060 64 V CA 2.326 64.775 62.300 0.249 0.000 1.030 64 V CB -1.618 30.301 31.823 0.160 0.000 0.643 64 V HN 0.590 nan 8.190 nan 0.000 0.445 65 G N -0.283 108.582 108.800 0.108 0.000 2.491 65 G HA2 -0.297 3.656 3.960 -0.011 0.000 0.218 65 G HA3 -0.297 3.656 3.960 -0.011 0.000 0.218 65 G C 1.714 176.662 174.900 0.079 0.000 1.180 65 G CA 1.176 46.318 45.100 0.069 0.000 0.774 65 G HN 0.481 nan 8.290 nan 0.000 0.562 66 R N -1.465 119.089 120.500 0.089 0.000 2.096 66 R HA -0.066 4.268 4.340 -0.011 0.000 0.235 66 R C 2.263 178.642 176.300 0.133 0.000 1.127 66 R CA 1.157 57.297 56.100 0.067 0.000 0.968 66 R CB -0.391 29.929 30.300 0.034 0.000 0.861 66 R HN 0.487 nan 8.270 nan 0.000 0.440 67 W N 1.474 122.751 121.300 -0.037 0.000 2.335 67 W HA -0.106 4.548 4.660 -0.011 0.000 0.311 67 W C 1.719 178.205 176.519 -0.055 0.000 1.213 67 W CA 1.053 58.372 57.345 -0.044 0.000 1.274 67 W CB -0.617 28.835 29.460 -0.013 0.000 1.148 67 W HN -0.006 nan 8.180 nan 0.000 0.498 68 I N 0.719 121.357 120.570 0.113 0.000 2.286 68 I HA -0.334 3.829 4.170 -0.011 0.000 0.248 68 I C 2.583 178.691 176.117 -0.016 0.000 1.115 68 I CA 1.604 62.889 61.300 -0.026 0.000 1.392 68 I CB -0.476 37.508 38.000 -0.027 0.000 1.065 68 I HN -0.049 nan 8.210 nan 0.000 0.418 69 R N -0.068 120.434 120.500 0.004 0.000 2.093 69 R HA -0.030 4.303 4.340 -0.011 0.000 0.224 69 R C 2.152 178.418 176.300 -0.057 0.000 1.101 69 R CA 1.597 57.688 56.100 -0.015 0.000 0.979 69 R CB -1.252 29.035 30.300 -0.021 0.000 0.877 69 R HN 0.231 nan 8.270 nan 0.000 0.441 70 T N 1.780 116.275 114.554 -0.098 0.000 2.652 70 T HA -0.148 4.196 4.350 -0.011 0.000 0.267 70 T C 1.891 176.297 174.700 -0.489 0.000 1.039 70 T CA 1.407 63.331 62.100 -0.294 0.000 1.153 70 T CB -0.152 68.584 68.868 -0.220 0.000 0.863 70 T HN 0.167 nan 8.240 nan 0.000 0.428 71 Q N 0.604 120.277 119.800 -0.212 0.000 2.124 71 Q HA -0.070 4.263 4.340 -0.011 0.000 0.202 71 Q C 2.352 178.361 176.000 0.014 0.000 0.977 71 Q CA 1.327 57.081 55.803 -0.083 0.000 0.850 71 Q CB -0.536 28.189 28.738 -0.022 0.000 0.901 71 Q HN 0.480 nan 8.270 nan 0.000 0.429 72 Q N -0.268 119.538 119.800 0.010 0.000 2.079 72 Q HA -0.167 4.166 4.340 -0.011 0.000 0.200 72 Q C 1.879 177.977 176.000 0.162 0.000 0.974 72 Q CA 1.825 57.686 55.803 0.096 0.000 0.840 72 Q CB -0.360 28.414 28.738 0.060 0.000 0.898 72 Q HN 0.531 nan 8.270 nan 0.000 0.430 73 H N -0.893 118.158 119.070 -0.032 0.000 2.319 73 H HA -0.167 4.383 4.556 -0.011 0.000 0.299 73 H C 1.148 176.560 175.328 0.141 0.000 1.092 73 H CA 2.213 58.260 56.048 -0.002 0.000 1.302 73 H CB -0.359 29.340 29.762 -0.107 0.000 1.373 73 H HN 0.337 nan 8.280 nan 0.000 0.497 74 Y N -0.975 119.347 120.300 0.038 0.000 2.333 74 Y HA -0.180 4.363 4.550 -0.011 0.000 0.290 74 Y C 2.390 178.311 175.900 0.034 0.000 1.144 74 Y CA 0.919 59.009 58.100 -0.016 0.000 1.228 74 Y CB -1.292 37.227 38.460 0.098 0.000 0.985 74 Y HN 0.367 nan 8.280 nan 0.000 0.542 75 Y N 1.363 121.742 120.300 0.132 0.000 2.163 75 Y HA -0.155 4.388 4.550 -0.011 0.000 0.288 75 Y C 2.062 177.977 175.900 0.026 0.000 1.136 75 Y CA 1.665 59.809 58.100 0.075 0.000 1.147 75 Y CB -0.169 38.325 38.460 0.057 0.000 0.987 75 Y HN 0.115 nan 8.280 nan 0.000 0.509 76 E N 0.262 120.403 120.200 -0.099 0.000 2.028 76 E HA -0.205 4.138 4.350 -0.011 0.000 0.190 76 E C 2.119 178.608 176.600 -0.185 0.000 0.984 76 E CA 1.222 57.512 56.400 -0.184 0.000 0.800 76 E CB -0.355 29.327 29.700 -0.030 0.000 0.758 76 E HN 0.412 nan 8.360 nan 0.000 0.448 77 K N 1.010 121.298 120.400 -0.187 0.000 2.217 77 K HA -0.146 4.167 4.320 -0.011 0.000 0.202 77 K C -0.035 176.488 176.600 -0.129 0.000 1.051 77 K CA 0.880 57.059 56.287 -0.180 0.000 0.952 77 K CB 0.054 32.368 32.500 -0.309 0.000 0.736 77 K HN -0.069 nan 8.250 nan 0.000 0.453 78 D N 0.580 120.914 120.400 -0.110 0.000 2.737 78 D HA -0.102 4.532 4.640 -0.011 0.000 0.238 78 D C -2.476 173.787 176.300 -0.060 0.000 1.157 78 D CA 0.197 54.151 54.000 -0.077 0.000 0.694 78 D CB -0.128 40.605 40.800 -0.112 0.000 1.021 78 D HN 0.235 nan 8.370 nan 0.000 0.420 79 P HA 0.133 nan 4.420 nan 0.000 0.277 79 P C -0.178 177.072 177.300 -0.083 0.000 1.271 79 P CA -0.634 62.416 63.100 -0.084 0.000 0.795 79 P CB 0.625 32.251 31.700 -0.124 0.000 1.101 80 K N 1.039 121.394 120.400 -0.075 0.000 2.412 80 K HA 0.076 4.390 4.320 -0.011 0.000 0.281 80 K C -0.116 176.399 176.600 -0.142 0.000 1.027 80 K CA -0.029 56.211 56.287 -0.078 0.000 0.989 80 K CB 0.216 32.687 32.500 -0.050 0.000 0.935 80 K HN 0.241 nan 8.250 nan 0.000 0.475 81 R N 3.709 124.115 120.500 -0.158 0.000 2.368 81 R HA 0.348 4.681 4.340 -0.011 0.000 0.302 81 R C -0.613 175.415 176.300 -0.452 0.000 1.002 81 R CA -0.506 55.420 56.100 -0.290 0.000 0.929 81 R CB 0.862 31.005 30.300 -0.262 0.000 1.073 81 R HN 0.509 nan 8.270 nan 0.000 0.464 82 I N 4.525 124.775 120.570 -0.535 0.000 2.321 82 I HA 0.219 4.382 4.170 -0.011 0.000 0.291 82 I C -0.646 175.151 176.117 -0.533 0.000 0.998 82 I CA -0.807 60.126 61.300 -0.611 0.000 1.227 82 I CB 0.821 38.349 38.000 -0.787 0.000 1.368 82 I HN 0.539 nan 8.210 nan 0.000 0.466 83 Y N 5.881 126.145 120.300 -0.060 0.000 2.356 83 Y HA 0.294 4.837 4.550 -0.011 0.000 0.334 83 Y C -0.330 175.682 175.900 0.187 0.000 0.958 83 Y CA -0.732 57.470 58.100 0.170 0.000 1.196 83 Y CB 1.195 39.748 38.460 0.156 0.000 1.137 83 Y HN 0.390 nan 8.280 nan 0.000 0.485 84 Y N 4.564 125.044 120.300 0.300 0.000 2.518 84 Y HA 0.452 4.996 4.550 -0.011 0.000 0.344 84 Y C -1.161 175.006 175.900 0.444 0.000 0.982 84 Y CA -1.044 57.242 58.100 0.309 0.000 1.234 84 Y CB 0.260 38.903 38.460 0.304 0.000 1.114 84 Y HN 0.521 nan 8.280 nan 0.000 0.515 85 L N 4.987 126.254 121.223 0.074 0.000 2.260 85 L HA 0.429 4.763 4.340 -0.011 0.000 0.289 85 L C -0.140 176.724 176.870 -0.011 0.000 1.057 85 L CA 0.201 55.133 54.840 0.154 0.000 0.811 85 L CB 1.070 43.195 42.059 0.111 0.000 1.184 85 L HN 0.569 nan 8.230 nan 0.000 0.429 86 S N 2.677 118.447 115.700 0.117 0.000 2.536 86 S HA 0.489 4.953 4.470 -0.011 0.000 0.271 86 S C 0.264 174.925 174.600 0.101 0.000 1.134 86 S CA -0.548 57.618 58.200 -0.056 0.000 0.897 86 S CB 1.054 63.992 63.200 -0.436 0.000 1.094 86 S HN 0.473 nan 8.310 nan 0.000 0.473 87 L N 2.866 124.193 121.223 0.173 0.000 2.591 87 L HA 0.442 4.775 4.340 -0.011 0.000 0.228 87 L C 0.300 177.351 176.870 0.301 0.000 1.133 87 L CA 0.974 55.990 54.840 0.295 0.000 0.880 87 L CB -0.092 42.161 42.059 0.324 0.000 1.033 87 L HN 0.663 nan 8.230 nan 0.000 0.450 88 E N -1.383 118.856 120.200 0.065 0.000 2.292 88 E HA 0.404 4.747 4.350 -0.011 0.000 0.272 88 E C -1.378 175.066 176.600 -0.260 0.000 0.881 88 E CA -0.460 55.965 56.400 0.040 0.000 0.754 88 E CB 1.895 31.608 29.700 0.022 0.000 1.201 88 E HN -0.164 nan 8.360 nan 0.000 0.425 89 F N 2.108 122.160 119.950 0.170 0.000 2.949 89 F HA 0.161 4.682 4.527 -0.011 0.000 0.376 89 F C -0.892 174.990 175.800 0.137 0.000 1.205 89 F CA -0.733 57.360 58.000 0.155 0.000 1.155 89 F CB 0.916 40.002 39.000 0.143 0.000 1.495 89 F HN 0.492 nan 8.300 nan 0.000 0.551 90 Y N 4.992 125.367 120.300 0.124 0.000 2.570 90 Y HA 0.171 4.714 4.550 -0.011 0.000 0.336 90 Y C 1.150 177.075 175.900 0.043 0.000 1.284 90 Y CA -0.875 57.252 58.100 0.044 0.000 1.761 90 Y CB 0.218 38.686 38.460 0.013 0.000 1.724 90 Y HN 0.526 nan 8.280 nan 0.000 0.455 91 M N 1.200 120.948 119.600 0.247 0.000 2.200 91 M HA 0.075 4.548 4.480 -0.011 0.000 0.265 91 M C 1.603 177.900 176.300 -0.005 0.000 1.066 91 M CA 1.184 56.538 55.300 0.090 0.000 1.127 91 M CB -1.334 31.293 32.600 0.044 0.000 1.379 91 M HN 0.661 nan 8.290 nan 0.000 0.420 92 G N 0.900 109.713 108.800 0.022 0.000 2.598 92 G HA2 -0.268 3.686 3.960 -0.011 0.000 0.244 92 G HA3 -0.268 3.686 3.960 -0.011 0.000 0.244 92 G C -0.380 174.489 174.900 -0.053 0.000 1.302 92 G CA -0.297 44.772 45.100 -0.052 0.000 0.903 92 G HN 0.444 nan 8.290 nan 0.000 0.575 93 R N -0.425 120.023 120.500 -0.087 0.000 2.531 93 R HA 0.572 4.905 4.340 -0.011 0.000 0.273 93 R C 1.503 177.695 176.300 -0.180 0.000 1.070 93 R CA 0.345 56.402 56.100 -0.070 0.000 1.112 93 R CB 1.025 31.288 30.300 -0.060 0.000 1.049 93 R HN 0.848 nan 8.270 nan 0.000 0.508 94 T N 0.221 114.607 114.554 -0.280 0.000 3.040 94 T HA 0.025 4.368 4.350 -0.011 0.000 0.266 94 T C 1.311 175.622 174.700 -0.649 0.000 1.005 94 T CA -0.207 61.541 62.100 -0.587 0.000 0.906 94 T CB 0.189 68.469 68.868 -0.980 0.000 1.082 94 T HN 0.351 nan 8.240 nan 0.000 0.531 95 L N 1.739 122.821 121.223 -0.235 0.000 1.976 95 L HA 0.102 4.435 4.340 -0.011 0.000 0.209 95 L C 2.585 179.430 176.870 -0.041 0.000 1.071 95 L CA 2.191 57.057 54.840 0.044 0.000 0.746 95 L CB -0.884 41.416 42.059 0.401 0.000 0.890 95 L HN 0.371 nan 8.230 nan 0.000 0.432 96 Q N -0.788 118.981 119.800 -0.051 0.000 2.119 96 Q HA -0.235 4.099 4.340 -0.011 0.000 0.201 96 Q C 2.185 178.115 176.000 -0.116 0.000 0.972 96 Q CA 1.641 57.405 55.803 -0.064 0.000 0.847 96 Q CB -0.290 28.408 28.738 -0.067 0.000 0.903 96 Q HN 0.703 nan 8.270 nan 0.000 0.433 97 N N -0.840 117.752 118.700 -0.180 0.000 2.223 97 N HA -0.133 4.600 4.740 -0.011 0.000 0.185 97 N C 1.256 176.660 175.510 -0.178 0.000 1.016 97 N CA 1.642 54.576 53.050 -0.193 0.000 0.863 97 N CB 0.117 38.456 38.487 -0.247 0.000 0.983 97 N HN 0.194 nan 8.380 nan 0.000 0.429 98 T N 1.066 115.484 114.554 -0.227 0.000 2.857 98 T HA 0.016 4.360 4.350 -0.011 0.000 0.266 98 T C 2.044 176.678 174.700 -0.110 0.000 1.048 98 T CA 0.808 62.788 62.100 -0.201 0.000 1.139 98 T CB 0.010 68.711 68.868 -0.278 0.000 0.874 98 T HN 0.254 nan 8.240 nan 0.000 0.455 99 M N 0.582 120.135 119.600 -0.079 0.000 2.117 99 M HA -0.075 4.398 4.480 -0.011 0.000 0.262 99 M C 2.425 178.689 176.300 -0.062 0.000 1.065 99 M CA 1.190 56.456 55.300 -0.058 0.000 1.114 99 M CB -0.608 31.974 32.600 -0.029 0.000 1.361 99 M HN 0.106 nan 8.290 nan 0.000 0.408 100 V N 1.091 120.975 119.914 -0.049 0.000 2.261 100 V HA -0.273 3.841 4.120 -0.011 0.000 0.246 100 V C 1.809 177.912 176.094 0.015 0.000 1.047 100 V CA 1.927 64.226 62.300 -0.002 0.000 1.015 100 V CB -0.902 30.925 31.823 0.006 0.000 0.642 100 V HN 0.474 nan 8.190 nan 0.000 0.446 101 N N -0.184 118.515 118.700 -0.002 0.000 2.520 101 N HA -0.060 4.673 4.740 -0.011 0.000 0.185 101 N C 1.098 176.503 175.510 -0.175 0.000 1.068 101 N CA 0.768 53.791 53.050 -0.045 0.000 0.911 101 N CB -0.117 38.356 38.487 -0.024 0.000 0.961 101 N HN 0.291 nan 8.380 nan 0.000 0.446 102 L N -0.268 120.873 121.223 -0.136 0.000 2.693 102 L HA 0.395 4.729 4.340 -0.011 0.000 0.235 102 L C 0.577 177.359 176.870 -0.147 0.000 1.127 102 L CA -0.250 54.507 54.840 -0.138 0.000 0.914 102 L CB -0.727 41.270 42.059 -0.103 0.000 1.193 102 L HN 0.097 nan 8.230 nan 0.000 0.502 103 A N -0.455 122.278 122.820 -0.144 0.000 2.791 103 A HA -0.218 4.096 4.320 -0.011 0.000 0.292 103 A C 1.052 178.576 177.584 -0.101 0.000 1.487 103 A CA 0.971 52.936 52.037 -0.119 0.000 0.760 103 A CB -1.920 16.996 19.000 -0.141 0.000 1.031 103 A HN 0.218 nan 8.150 nan 0.000 0.503 104 L N -0.921 120.242 121.223 -0.101 0.000 2.664 104 L HA 0.246 4.580 4.340 -0.011 0.000 0.233 104 L C 1.842 178.673 176.870 -0.066 0.000 1.113 104 L CA 1.554 56.329 54.840 -0.109 0.000 0.896 104 L CB -0.277 41.685 42.059 -0.162 0.000 1.163 104 L HN 0.643 nan 8.230 nan 0.000 0.497 105 E N 0.015 120.186 120.200 -0.048 0.000 2.086 105 E HA -0.278 4.065 4.350 -0.011 0.000 0.200 105 E C 1.687 178.272 176.600 -0.025 0.000 1.012 105 E CA 1.827 58.209 56.400 -0.029 0.000 0.812 105 E CB 0.212 29.898 29.700 -0.024 0.000 0.743 105 E HN 0.363 nan 8.360 nan 0.000 0.453 106 N N -0.328 118.355 118.700 -0.030 0.000 2.216 106 N HA -0.068 4.665 4.740 -0.011 0.000 0.183 106 N C 1.470 176.965 175.510 -0.026 0.000 1.017 106 N CA 1.238 54.270 53.050 -0.029 0.000 0.861 106 N CB -0.388 38.081 38.487 -0.030 0.000 0.986 106 N HN 0.278 nan 8.380 nan 0.000 0.428 107 A N 0.162 122.965 122.820 -0.029 0.000 1.877 107 A HA -0.145 4.169 4.320 -0.011 0.000 0.216 107 A C 2.614 180.192 177.584 -0.011 0.000 1.186 107 A CA 1.377 53.401 52.037 -0.021 0.000 0.620 107 A CB -1.029 17.951 19.000 -0.033 0.000 0.822 107 A HN 0.447 nan 8.150 nan 0.000 0.443 108 C N -0.855 118.437 119.300 -0.014 0.000 2.440 108 C HA -0.056 4.397 4.460 -0.011 0.000 0.278 108 C C 2.457 177.446 174.990 -0.000 0.000 1.295 108 C CA 1.070 60.089 59.018 0.002 0.000 1.738 108 C CB -1.091 26.659 27.740 0.016 0.000 1.987 108 C HN 0.693 nan 8.230 nan 0.000 0.492 109 D N 0.739 121.138 120.400 -0.001 0.000 2.117 109 D HA -0.139 4.495 4.640 -0.011 0.000 0.197 109 D C 2.126 178.439 176.300 0.021 0.000 0.987 109 D CA 1.503 55.505 54.000 0.003 0.000 0.829 109 D CB -0.226 40.564 40.800 -0.017 0.000 0.961 109 D HN 0.472 nan 8.370 nan 0.000 0.460 110 E N 0.313 120.520 120.200 0.011 0.000 2.028 110 E HA -0.057 4.286 4.350 -0.011 0.000 0.191 110 E C 1.921 178.568 176.600 0.079 0.000 0.988 110 E CA 1.702 58.130 56.400 0.047 0.000 0.799 110 E CB -0.655 29.055 29.700 0.018 0.000 0.755 110 E HN 0.192 nan 8.360 nan 0.000 0.447 111 A N -0.048 122.782 122.820 0.017 0.000 1.892 111 A HA -0.248 4.065 4.320 -0.011 0.000 0.218 111 A C 2.517 180.036 177.584 -0.107 0.000 1.188 111 A CA 3.133 55.154 52.037 -0.028 0.000 0.631 111 A CB -1.599 17.385 19.000 -0.027 0.000 0.822 111 A HN 0.544 nan 8.150 nan 0.000 0.447 112 T N -3.774 110.706 114.554 -0.123 0.000 2.867 112 T HA -0.216 4.128 4.350 -0.011 0.000 0.268 112 T C 1.825 176.441 174.700 -0.140 0.000 1.057 112 T CA 1.533 63.496 62.100 -0.228 0.000 1.136 112 T CB -0.576 68.194 68.868 -0.164 0.000 0.874 112 T HN 0.475 nan 8.240 nan 0.000 0.466 113 Y N 2.267 122.487 120.300 -0.132 0.000 2.128 113 Y HA -0.122 4.422 4.550 -0.010 0.000 0.284 113 Y C 2.634 178.474 175.900 -0.100 0.000 1.154 113 Y CA 1.658 59.700 58.100 -0.097 0.000 1.149 113 Y CB -0.604 37.817 38.460 -0.065 0.000 0.976 113 Y HN 0.258 nan 8.280 nan 0.000 0.505 114 Q N -0.952 118.755 119.800 -0.156 0.000 2.224 114 Q HA -0.127 4.207 4.340 -0.011 0.000 0.203 114 Q C 1.560 177.423 176.000 -0.228 0.000 0.970 114 Q CA 0.910 56.586 55.803 -0.211 0.000 0.865 114 Q CB -0.092 28.612 28.738 -0.057 0.000 0.922 114 Q HN 0.341 nan 8.270 nan 0.000 0.445 115 L N -0.689 120.389 121.223 -0.241 0.000 2.599 115 L HA 0.121 4.454 4.340 -0.011 0.000 0.230 115 L C 1.073 177.783 176.870 -0.267 0.000 1.141 115 L CA 1.244 55.933 54.840 -0.252 0.000 0.877 115 L CB -0.583 41.241 42.059 -0.391 0.000 1.009 115 L HN 0.337 nan 8.230 nan 0.000 0.447 116 G N -0.169 108.451 108.800 -0.300 0.000 2.182 116 G HA2 -0.254 3.700 3.960 -0.011 0.000 0.248 116 G HA3 -0.254 3.700 3.960 -0.011 0.000 0.248 116 G C 0.062 174.821 174.900 -0.236 0.000 1.042 116 G CA 0.418 45.351 45.100 -0.279 0.000 0.775 116 G HN 0.316 nan 8.290 nan 0.000 0.501 117 L N -0.684 120.399 121.223 -0.234 0.000 2.301 117 L HA 0.697 5.030 4.340 -0.011 0.000 0.264 117 L C -0.510 176.321 176.870 -0.064 0.000 1.016 117 L CA -1.239 53.492 54.840 -0.181 0.000 0.821 117 L CB 1.804 43.693 42.059 -0.282 0.000 1.346 117 L HN 0.063 nan 8.230 nan 0.000 0.429 118 D N 1.178 121.568 120.400 -0.016 0.000 2.392 118 D HA 0.217 4.850 4.640 -0.011 0.000 0.228 118 D C 0.558 176.882 176.300 0.041 0.000 1.074 118 D CA -0.325 53.695 54.000 0.033 0.000 0.838 118 D CB 1.616 42.442 40.800 0.043 0.000 1.067 118 D HN 0.510 nan 8.370 nan 0.000 0.511 119 M N 3.097 122.722 119.600 0.042 0.000 2.149 119 M HA -0.152 4.321 4.480 -0.011 0.000 0.261 119 M C 1.436 177.775 176.300 0.065 0.000 1.064 119 M CA 1.610 56.944 55.300 0.056 0.000 1.102 119 M CB 0.179 32.806 32.600 0.044 0.000 1.369 119 M HN 0.430 nan 8.290 nan 0.000 0.408 120 E N -0.302 119.928 120.200 0.050 0.000 2.110 120 E HA -0.258 4.086 4.350 -0.011 0.000 0.193 120 E C 1.864 178.494 176.600 0.049 0.000 0.988 120 E CA 1.400 57.826 56.400 0.044 0.000 0.804 120 E CB -0.096 29.627 29.700 0.038 0.000 0.745 120 E HN 0.628 nan 8.360 nan 0.000 0.458 121 E N 0.140 120.373 120.200 0.056 0.000 2.106 121 E HA -0.182 4.161 4.350 -0.011 0.000 0.192 121 E C 1.835 178.474 176.600 0.064 0.000 0.984 121 E CA 0.493 56.926 56.400 0.057 0.000 0.806 121 E CB 0.212 29.948 29.700 0.060 0.000 0.750 121 E HN 0.091 nan 8.360 nan 0.000 0.458 122 L N 1.168 122.449 121.223 0.098 0.000 2.109 122 L HA -0.076 4.257 4.340 -0.011 0.000 0.207 122 L C 2.033 178.959 176.870 0.094 0.000 1.086 122 L CA 1.540 56.471 54.840 0.152 0.000 0.760 122 L CB -0.545 41.657 42.059 0.238 0.000 0.910 122 L HN 0.104 nan 8.230 nan 0.000 0.437 123 E N -0.691 119.554 120.200 0.076 0.000 2.153 123 E HA -0.186 4.157 4.350 -0.011 0.000 0.194 123 E C 1.790 178.347 176.600 -0.071 0.000 0.988 123 E CA 0.674 57.090 56.400 0.027 0.000 0.811 123 E CB 0.125 29.847 29.700 0.037 0.000 0.746 123 E HN 0.346 nan 8.360 nan 0.000 0.466 124 E N 0.064 120.237 120.200 -0.045 0.000 2.418 124 E HA -0.105 4.238 4.350 -0.011 0.000 0.197 124 E C 1.765 178.294 176.600 -0.119 0.000 1.026 124 E CA 0.504 56.875 56.400 -0.048 0.000 0.862 124 E CB 0.102 29.807 29.700 0.009 0.000 0.799 124 E HN 0.394 nan 8.360 nan 0.000 0.518 125 I N 0.763 121.202 120.570 -0.219 0.000 2.617 125 I HA -0.098 4.065 4.170 -0.011 0.000 0.256 125 I C 1.369 177.162 176.117 -0.540 0.000 1.167 125 I CA 0.221 61.323 61.300 -0.331 0.000 1.469 125 I CB 0.154 37.968 38.000 -0.311 0.000 1.098 125 I HN -0.027 nan 8.210 nan 0.000 0.436 126 E N 2.131 121.879 120.200 -0.754 0.000 2.413 126 E HA -0.081 4.262 4.350 -0.011 0.000 0.263 126 E C -0.023 176.460 176.600 -0.195 0.000 1.015 126 E CA -0.038 55.976 56.400 -0.643 0.000 0.916 126 E CB 0.612 30.070 29.700 -0.403 0.000 0.947 126 E HN 0.099 nan 8.360 nan 0.000 0.440 127 E N 2.427 122.611 120.200 -0.028 0.000 2.319 127 E HA 0.112 4.455 4.350 -0.011 0.000 0.268 127 E C -1.278 175.419 176.600 0.161 0.000 1.050 127 E CA -0.413 56.057 56.400 0.118 0.000 0.878 127 E CB 0.956 30.812 29.700 0.259 0.000 1.066 127 E HN 0.346 nan 8.360 nan 0.000 0.406 128 D N 1.267 121.745 120.400 0.130 0.000 2.308 128 D HA 0.314 4.947 4.640 -0.011 0.000 0.251 128 D C -0.950 175.383 176.300 0.055 0.000 1.127 128 D CA 0.058 54.108 54.000 0.084 0.000 0.876 128 D CB 1.107 41.944 40.800 0.061 0.000 1.176 128 D HN 0.430 nan 8.370 nan 0.000 0.446 129 A N 2.775 125.586 122.820 -0.015 0.000 2.805 129 A HA 0.450 4.764 4.320 -0.011 0.000 0.301 129 A C 1.026 178.450 177.584 -0.266 0.000 1.557 129 A CA -0.433 51.398 52.037 -0.342 0.000 1.254 129 A CB -0.310 18.584 19.000 -0.177 0.000 1.114 129 A HN 0.556 nan 8.150 nan 0.000 0.553 130 G N 1.985 110.566 108.800 -0.366 0.000 3.741 130 G HA2 0.408 4.362 3.960 -0.011 0.000 0.263 130 G HA3 0.408 4.362 3.960 -0.011 0.000 0.263 130 G C 0.282 174.913 174.900 -0.448 0.000 1.175 130 G CA -0.314 44.614 45.100 -0.287 0.000 1.642 130 G HN 0.690 nan 8.290 nan 0.000 0.644 131 L N 1.446 122.471 121.223 -0.331 0.000 2.955 131 L HA 0.423 4.756 4.340 -0.011 0.000 0.238 131 L C 0.928 177.717 176.870 -0.135 0.000 1.359 131 L CA -0.265 54.498 54.840 -0.128 0.000 1.214 131 L CB -0.381 41.740 42.059 0.103 0.000 1.600 131 L HN 0.300 nan 8.230 nan 0.000 0.442 132 G N -1.103 107.400 108.800 -0.494 0.000 2.632 132 G HA2 0.166 4.119 3.960 -0.011 0.000 0.292 132 G HA3 0.166 4.119 3.960 -0.011 0.000 0.292 132 G C -0.185 174.319 174.900 -0.660 0.000 1.465 132 G CA -0.485 44.339 45.100 -0.462 0.000 0.824 132 G HN -0.064 nan 8.290 nan 0.000 0.509 133 N N -0.628 117.909 118.700 -0.272 0.000 2.278 133 N HA 0.177 4.910 4.740 -0.011 0.000 0.181 133 N C 1.280 176.820 175.510 0.050 0.000 1.023 133 N CA 1.533 54.504 53.050 -0.133 0.000 0.862 133 N CB 0.831 39.325 38.487 0.011 0.000 1.003 133 N HN 0.836 nan 8.380 nan 0.000 0.431 134 G N -0.886 108.016 108.800 0.171 0.000 3.218 134 G HA2 0.217 4.171 3.960 -0.011 0.000 0.143 134 G HA3 0.217 4.171 3.960 -0.011 0.000 0.143 134 G C 0.787 175.812 174.900 0.207 0.000 1.220 134 G CA 0.290 45.560 45.100 0.283 0.000 1.382 134 G HN 0.196 nan 8.290 nan 0.000 0.682 135 G N 0.471 109.332 108.800 0.103 0.000 2.446 135 G HA2 -0.093 3.860 3.960 -0.011 0.000 0.217 135 G HA3 -0.093 3.860 3.960 -0.011 0.000 0.217 135 G C 1.884 176.772 174.900 -0.020 0.000 1.168 135 G CA 1.498 46.617 45.100 0.031 0.000 0.771 135 G HN 0.741 nan 8.290 nan 0.000 0.551 136 L N 0.605 121.788 121.223 -0.067 0.000 2.046 136 L HA 0.102 4.435 4.340 -0.011 0.000 0.208 136 L C 2.817 179.615 176.870 -0.120 0.000 1.077 136 L CA 2.014 56.723 54.840 -0.218 0.000 0.747 136 L CB -0.546 41.315 42.059 -0.331 0.000 0.896 136 L HN 0.227 nan 8.230 nan 0.000 0.432 137 G N -0.678 108.112 108.800 -0.016 0.000 2.403 137 G HA2 -0.294 3.659 3.960 -0.011 0.000 0.216 137 G HA3 -0.294 3.659 3.960 -0.011 0.000 0.216 137 G C 1.636 176.602 174.900 0.110 0.000 1.154 137 G CA 0.649 45.765 45.100 0.027 0.000 0.784 137 G HN 0.306 nan 8.290 nan 0.000 0.538 138 R N -0.024 120.570 120.500 0.156 0.000 2.189 138 R HA 0.151 4.484 4.340 -0.011 0.000 0.218 138 R C 2.218 178.527 176.300 0.014 0.000 1.074 138 R CA 0.664 56.834 56.100 0.116 0.000 0.991 138 R CB -0.695 29.629 30.300 0.040 0.000 0.883 138 R HN 0.345 nan 8.270 nan 0.000 0.457 139 L N -0.114 121.048 121.223 -0.101 0.000 2.093 139 L HA 0.117 4.451 4.340 -0.011 0.000 0.208 139 L C 2.019 178.601 176.870 -0.480 0.000 1.085 139 L CA 1.975 56.615 54.840 -0.334 0.000 0.755 139 L CB -0.711 41.100 42.059 -0.412 0.000 0.904 139 L HN 0.217 nan 8.230 nan 0.000 0.435 140 A N -0.494 122.189 122.820 -0.228 0.000 1.933 140 A HA -0.098 4.216 4.320 -0.011 0.000 0.218 140 A C 2.428 180.086 177.584 0.123 0.000 1.175 140 A CA 1.653 53.643 52.037 -0.078 0.000 0.628 140 A CB -1.055 17.909 19.000 -0.060 0.000 0.814 140 A HN 0.547 nan 8.150 nan 0.000 0.444 141 A N -1.271 121.648 122.820 0.166 0.000 1.930 141 A HA -0.127 4.186 4.320 -0.011 0.000 0.217 141 A C 2.270 179.938 177.584 0.141 0.000 1.175 141 A CA 1.583 53.741 52.037 0.202 0.000 0.627 141 A CB -1.126 17.984 19.000 0.183 0.000 0.815 141 A HN 0.575 nan 8.150 nan 0.000 0.443 142 C N -1.654 117.730 119.300 0.140 0.000 2.457 142 C HA 0.013 4.466 4.460 -0.011 0.000 0.278 142 C C 2.389 177.549 174.990 0.284 0.000 1.309 142 C CA 0.425 59.564 59.018 0.202 0.000 1.735 142 C CB -1.512 26.368 27.740 0.233 0.000 1.992 142 C HN 0.612 nan 8.230 nan 0.000 0.493 143 F N 0.528 120.463 119.950 -0.026 0.000 2.134 143 F HA -0.059 4.461 4.527 -0.011 0.000 0.299 143 F C 2.097 177.836 175.800 -0.100 0.000 1.097 143 F CA 1.066 58.996 58.000 -0.117 0.000 1.264 143 F CB -1.308 37.485 39.000 -0.344 0.000 1.001 143 F HN 0.082 nan 8.300 nan 0.000 0.479 144 L N 0.282 121.585 121.223 0.133 0.000 2.046 144 L HA -0.224 4.109 4.340 -0.011 0.000 0.208 144 L C 2.366 179.247 176.870 0.017 0.000 1.077 144 L CA 1.833 56.704 54.840 0.053 0.000 0.747 144 L CB -1.143 40.957 42.059 0.067 0.000 0.896 144 L HN 0.185 nan 8.230 nan 0.000 0.432 145 D N -1.378 119.044 120.400 0.036 0.000 2.097 145 D HA -0.154 4.479 4.640 -0.011 0.000 0.197 145 D C 1.901 178.215 176.300 0.022 0.000 0.984 145 D CA 1.449 55.455 54.000 0.010 0.000 0.826 145 D CB 0.452 41.257 40.800 0.008 0.000 0.973 145 D HN 0.294 nan 8.370 nan 0.000 0.460 146 S N -0.056 115.672 115.700 0.047 0.000 2.383 146 S HA -0.064 4.400 4.470 -0.011 0.000 0.227 146 S C 2.122 176.727 174.600 0.009 0.000 1.026 146 S CA 0.710 58.927 58.200 0.029 0.000 0.981 146 S CB -0.100 63.119 63.200 0.030 0.000 0.818 146 S HN 0.332 nan 8.310 nan 0.000 0.472 147 M N 0.963 120.561 119.600 -0.002 0.000 2.159 147 M HA -0.095 4.378 4.480 -0.011 0.000 0.263 147 M C 2.417 178.713 176.300 -0.007 0.000 1.063 147 M CA 1.407 56.702 55.300 -0.008 0.000 1.110 147 M CB -0.460 32.119 32.600 -0.034 0.000 1.374 147 M HN 0.396 nan 8.290 nan 0.000 0.411 148 A N -0.448 122.365 122.820 -0.012 0.000 1.897 148 A HA -0.112 4.202 4.320 -0.011 0.000 0.215 148 A C 2.149 179.743 177.584 0.017 0.000 1.181 148 A CA 1.935 53.968 52.037 -0.007 0.000 0.620 148 A CB -1.015 17.964 19.000 -0.035 0.000 0.821 148 A HN 0.408 nan 8.150 nan 0.000 0.443 149 T N 0.176 114.746 114.554 0.026 0.000 2.915 149 T HA 0.031 4.374 4.350 -0.011 0.000 0.269 149 T C 1.209 175.936 174.700 0.045 0.000 1.071 149 T CA 0.978 63.108 62.100 0.051 0.000 1.132 149 T CB -0.250 68.658 68.868 0.068 0.000 0.878 149 T HN 0.331 nan 8.240 nan 0.000 0.479 150 L N 0.518 121.762 121.223 0.035 0.000 2.741 150 L HA 0.322 4.655 4.340 -0.011 0.000 0.237 150 L C 1.495 178.391 176.870 0.044 0.000 1.178 150 L CA -0.264 54.598 54.840 0.037 0.000 0.973 150 L CB -0.327 41.751 42.059 0.031 0.000 1.255 150 L HN 0.337 nan 8.230 nan 0.000 0.498 151 G N 1.374 110.204 108.800 0.051 0.000 2.356 151 G HA2 -0.289 3.664 3.960 -0.011 0.000 0.296 151 G HA3 -0.289 3.664 3.960 -0.011 0.000 0.296 151 G C 0.032 174.971 174.900 0.065 0.000 1.022 151 G CA 0.189 45.337 45.100 0.081 0.000 0.961 151 G HN 0.305 nan 8.290 nan 0.000 0.510 152 L N -0.366 120.863 121.223 0.010 0.000 2.334 152 L HA 0.645 4.979 4.340 -0.011 0.000 0.277 152 L C 1.104 177.837 176.870 -0.229 0.000 1.075 152 L CA -0.508 54.287 54.840 -0.075 0.000 0.804 152 L CB 1.736 43.771 42.059 -0.039 0.000 1.174 152 L HN 0.251 nan 8.230 nan 0.000 0.438 153 A N 2.868 125.402 122.820 -0.476 0.000 2.990 153 A HA 0.599 4.912 4.320 -0.011 0.000 0.282 153 A C 0.216 177.458 177.584 -0.571 0.000 1.688 153 A CA -0.175 51.302 52.037 -0.933 0.000 1.391 153 A CB -0.618 17.692 19.000 -1.151 0.000 1.112 153 A HN 0.688 nan 8.150 nan 0.000 0.588 154 A N 1.698 124.218 122.820 -0.500 0.000 2.355 154 A HA 0.795 5.108 4.320 -0.011 0.000 0.324 154 A C -1.049 176.233 177.584 -0.502 0.000 1.117 154 A CA -0.473 51.325 52.037 -0.398 0.000 0.785 154 A CB 0.796 19.642 19.000 -0.257 0.000 1.254 154 A HN 0.634 nan 8.150 nan 0.000 0.453 155 Y N 0.364 120.568 120.300 -0.161 0.000 2.361 155 Y HA 0.540 5.083 4.550 -0.011 0.000 0.337 155 Y C 0.864 176.780 175.900 0.026 0.000 0.965 155 Y CA -0.575 57.477 58.100 -0.080 0.000 1.091 155 Y CB 2.397 40.847 38.460 -0.017 0.000 1.182 155 Y HN 0.818 nan 8.280 nan 0.000 0.450 156 G N 2.372 111.192 108.800 0.033 0.000 2.325 156 G HA2 0.429 4.382 3.960 -0.011 0.000 0.298 156 G HA3 0.429 4.382 3.960 -0.011 0.000 0.298 156 G C -1.705 173.161 174.900 -0.056 0.000 1.134 156 G CA -0.230 44.934 45.100 0.107 0.000 0.876 156 G HN 0.497 nan 8.290 nan 0.000 0.452 157 Y N 1.265 121.792 120.300 0.379 0.000 2.341 157 Y HA 0.642 5.185 4.550 -0.011 0.000 0.338 157 Y C 0.780 176.997 175.900 0.529 0.000 0.965 157 Y CA 0.177 58.475 58.100 0.330 0.000 1.108 157 Y CB 2.571 41.251 38.460 0.368 0.000 1.180 157 Y HN 0.848 nan 8.280 nan 0.000 0.458 158 G N 2.344 111.491 108.800 0.578 0.000 2.753 158 G HA2 0.587 4.540 3.960 -0.011 0.000 0.303 158 G HA3 0.587 4.540 3.960 -0.011 0.000 0.303 158 G C -1.762 173.399 174.900 0.434 0.000 1.242 158 G CA -0.828 44.639 45.100 0.613 0.000 0.810 158 G HN 0.424 nan 8.290 nan 0.000 0.515 159 I N 0.599 121.316 120.570 0.245 0.000 2.441 159 I HA 0.437 4.600 4.170 -0.011 0.000 0.295 159 I C 0.267 176.282 176.117 -0.170 0.000 0.994 159 I CA -0.738 60.588 61.300 0.043 0.000 1.144 159 I CB 2.175 40.025 38.000 -0.250 0.000 1.314 159 I HN 0.374 nan 8.210 nan 0.000 0.445 160 R N 6.463 126.967 120.500 0.006 0.000 2.593 160 R HA 0.261 4.594 4.340 -0.011 0.000 0.282 160 R C -1.373 174.973 176.300 0.077 0.000 1.300 160 R CA -0.445 55.692 56.100 0.061 0.000 1.221 160 R CB 0.038 30.367 30.300 0.048 0.000 1.157 160 R HN 0.410 nan 8.270 nan 0.000 0.555 161 Y N 1.920 122.380 120.300 0.266 0.000 2.425 161 Y HA -0.010 4.534 4.550 -0.011 0.000 0.331 161 Y C 1.444 177.519 175.900 0.292 0.000 1.157 161 Y CA -0.169 58.075 58.100 0.240 0.000 1.372 161 Y CB 0.947 39.528 38.460 0.202 0.000 1.253 161 Y HN 0.560 nan 8.280 nan 0.000 0.536 162 E N 1.339 121.711 120.200 0.288 0.000 2.358 162 E HA -0.001 4.342 4.350 -0.011 0.000 0.195 162 E C -0.737 175.744 176.600 -0.198 0.000 1.010 162 E CA 0.606 57.000 56.400 -0.010 0.000 0.856 162 E CB 0.071 29.593 29.700 -0.298 0.000 0.795 162 E HN 0.410 nan 8.360 nan 0.000 0.504 163 F N 1.126 121.311 119.950 0.392 0.000 2.499 163 F HA 0.464 4.984 4.527 -0.011 0.000 0.333 163 F C 0.900 176.793 175.800 0.155 0.000 1.138 163 F CA -1.044 57.130 58.000 0.291 0.000 0.945 163 F CB 2.062 41.161 39.000 0.165 0.000 1.181 163 F HN -0.098 nan 8.300 nan 0.000 0.435 164 G N 2.035 110.936 108.800 0.169 0.000 2.582 164 G HA2 0.327 4.280 3.960 -0.011 0.000 0.232 164 G HA3 0.327 4.280 3.960 -0.011 0.000 0.232 164 G C -0.560 174.295 174.900 -0.076 0.000 1.458 164 G CA -0.638 44.406 45.100 -0.092 0.000 1.062 164 G HN 0.526 nan 8.290 nan 0.000 0.566 165 I N 1.049 121.496 120.570 -0.205 0.000 2.618 165 I HA 0.263 4.426 4.170 -0.011 0.000 0.284 165 I C 0.522 176.553 176.117 -0.144 0.000 1.146 165 I CA -1.173 59.987 61.300 -0.233 0.000 1.425 165 I CB -0.193 37.563 38.000 -0.406 0.000 1.383 165 I HN 0.344 nan 8.210 nan 0.000 0.562 166 F N 6.270 126.231 119.950 0.018 0.000 2.626 166 F HA 0.223 4.743 4.527 -0.011 0.000 0.354 166 F C 0.358 176.209 175.800 0.086 0.000 1.168 166 F CA -0.446 57.589 58.000 0.058 0.000 1.368 166 F CB -0.270 38.754 39.000 0.040 0.000 1.092 166 F HN 0.430 nan 8.300 nan 0.000 0.612 167 N N 2.288 121.180 118.700 0.319 0.000 2.444 167 N HA 0.077 4.810 4.740 -0.011 0.000 0.271 167 N C -0.876 174.867 175.510 0.388 0.000 1.069 167 N CA -0.340 52.858 53.050 0.247 0.000 0.965 167 N CB 1.247 39.867 38.487 0.222 0.000 1.092 167 N HN 0.740 nan 8.380 nan 0.000 0.476 168 Q N 2.393 122.392 119.800 0.332 0.000 2.279 168 Q HA 0.169 4.502 4.340 -0.011 0.000 0.256 168 Q C -0.878 175.298 176.000 0.292 0.000 0.937 168 Q CA -0.122 55.918 55.803 0.395 0.000 0.933 168 Q CB 0.681 29.648 28.738 0.381 0.000 1.189 168 Q HN 0.263 nan 8.270 nan 0.000 0.417 169 K N 4.355 124.909 120.400 0.257 0.000 2.324 169 K HA 0.444 4.758 4.320 -0.011 0.000 0.253 169 K C -0.829 175.886 176.600 0.192 0.000 0.932 169 K CA -0.946 55.467 56.287 0.209 0.000 0.799 169 K CB 1.560 34.161 32.500 0.169 0.000 1.154 169 K HN 0.599 nan 8.250 nan 0.000 0.425 170 I N 2.216 122.894 120.570 0.181 0.000 2.312 170 I HA 0.157 4.321 4.170 -0.011 0.000 0.290 170 I C -0.053 176.140 176.117 0.128 0.000 1.008 170 I CA -0.743 60.641 61.300 0.140 0.000 1.226 170 I CB 0.821 38.897 38.000 0.126 0.000 1.371 170 I HN 0.517 nan 8.210 nan 0.000 0.468 171 C N 5.173 124.560 119.300 0.146 0.000 2.316 171 C HA 0.613 5.066 4.460 -0.011 0.000 0.324 171 C C 1.139 176.256 174.990 0.211 0.000 1.226 171 C CA 0.201 59.310 59.018 0.151 0.000 1.450 171 C CB -0.246 27.575 27.740 0.134 0.000 2.123 171 C HN 1.092 nan 8.230 nan 0.000 0.454 172 G N 3.883 112.774 108.800 0.152 0.000 2.225 172 G HA2 0.058 4.012 3.960 -0.011 0.000 0.267 172 G HA3 0.058 4.012 3.960 -0.011 0.000 0.267 172 G C 1.139 176.066 174.900 0.046 0.000 1.024 172 G CA 1.042 46.241 45.100 0.166 0.000 0.784 172 G HN 2.457 nan 8.290 nan 0.000 0.507 173 G N -2.900 105.870 108.800 -0.049 0.000 2.179 173 G HA2 -0.287 3.666 3.960 -0.011 0.000 0.260 173 G HA3 -0.287 3.666 3.960 -0.011 0.000 0.260 173 G C 0.359 175.016 174.900 -0.404 0.000 0.977 173 G CA 0.655 45.598 45.100 -0.262 0.000 0.641 173 G HN 1.214 nan 8.290 nan 0.000 0.533 174 W N 0.887 122.151 121.300 -0.060 0.000 2.512 174 W HA 0.659 5.312 4.660 -0.011 0.000 0.335 174 W C 0.624 177.113 176.519 -0.050 0.000 1.088 174 W CA -0.839 56.465 57.345 -0.068 0.000 1.236 174 W CB 0.840 30.273 29.460 -0.044 0.000 1.307 174 W HN 0.285 nan 8.180 nan 0.000 0.567 175 Q N 3.110 123.028 119.800 0.196 0.000 2.314 175 Q HA 0.304 4.638 4.340 -0.011 0.000 0.258 175 Q C -0.641 175.435 176.000 0.127 0.000 0.954 175 Q CA 0.085 55.975 55.803 0.144 0.000 0.890 175 Q CB 0.627 29.441 28.738 0.128 0.000 1.210 175 Q HN 0.333 nan 8.270 nan 0.000 0.410 176 M N 3.211 122.880 119.600 0.115 0.000 2.321 176 M HA 0.365 4.839 4.480 -0.011 0.000 0.315 176 M C -1.197 175.124 176.300 0.035 0.000 1.052 176 M CA -0.643 54.691 55.300 0.055 0.000 0.936 176 M CB 1.791 34.436 32.600 0.076 0.000 1.639 176 M HN 0.663 nan 8.290 nan 0.000 0.433 177 E N 1.677 121.817 120.200 -0.099 0.000 2.216 177 E HA 0.441 4.784 4.350 -0.011 0.000 0.279 177 E C -0.724 175.868 176.600 -0.013 0.000 0.997 177 E CA -0.344 55.947 56.400 -0.182 0.000 0.817 177 E CB 1.652 30.989 29.700 -0.604 0.000 1.096 177 E HN 0.509 nan 8.360 nan 0.000 0.393 178 E N 1.727 122.005 120.200 0.130 0.000 2.272 178 E HA 0.588 4.931 4.350 -0.011 0.000 0.269 178 E C -1.260 175.441 176.600 0.168 0.000 0.877 178 E CA -1.152 55.320 56.400 0.120 0.000 0.755 178 E CB 1.203 30.989 29.700 0.143 0.000 1.192 178 E HN 0.586 nan 8.360 nan 0.000 0.422 179 A N 3.522 126.397 122.820 0.092 0.000 2.565 179 A HA 0.026 4.340 4.320 -0.011 0.000 0.237 179 A C 0.012 177.773 177.584 0.295 0.000 1.053 179 A CA 0.408 52.511 52.037 0.110 0.000 0.755 179 A CB 0.090 19.012 19.000 -0.131 0.000 0.980 179 A HN 0.687 nan 8.150 nan 0.000 0.506 180 D N 1.735 122.383 120.400 0.414 0.000 2.522 180 D HA 0.193 4.827 4.640 -0.011 0.000 0.218 180 D C -0.484 176.151 176.300 0.558 0.000 1.149 180 D CA -0.234 54.010 54.000 0.406 0.000 0.981 180 D CB 0.306 41.271 40.800 0.276 0.000 1.041 180 D HN 0.369 nan 8.370 nan 0.000 0.518 181 D N 3.653 124.352 120.400 0.500 0.000 2.688 181 D HA -0.026 4.607 4.640 -0.011 0.000 0.228 181 D C 1.143 177.602 176.300 0.266 0.000 1.116 181 D CA -0.527 53.677 54.000 0.341 0.000 1.023 181 D CB -0.156 40.851 40.800 0.345 0.000 1.100 181 D HN 0.556 nan 8.370 nan 0.000 0.487 182 W N 2.023 123.367 121.300 0.073 0.000 2.525 182 W HA -0.051 4.602 4.660 -0.011 0.000 0.259 182 W C 0.272 176.857 176.519 0.110 0.000 1.253 182 W CA 0.103 57.513 57.345 0.107 0.000 1.262 182 W CB -0.805 28.716 29.460 0.101 0.000 1.122 182 W HN 0.185 nan 8.180 nan 0.000 0.607 183 L N 1.005 121.852 121.223 -0.627 0.000 2.592 183 L HA 0.139 4.472 4.340 -0.011 0.000 0.227 183 L C 2.743 179.464 176.870 -0.248 0.000 1.127 183 L CA 0.116 54.573 54.840 -0.638 0.000 0.884 183 L CB -0.680 40.886 42.059 -0.823 0.000 1.065 183 L HN -0.098 nan 8.230 nan 0.000 0.457 184 R N 0.737 121.165 120.500 -0.121 0.000 2.134 184 R HA -0.248 4.085 4.340 -0.011 0.000 0.248 184 R C 1.393 177.539 176.300 -0.255 0.000 1.143 184 R CA 2.215 58.215 56.100 -0.167 0.000 0.957 184 R CB -0.287 29.923 30.300 -0.151 0.000 0.867 184 R HN 0.329 nan 8.270 nan 0.000 0.441 185 Y N -0.526 119.801 120.300 0.045 0.000 2.457 185 Y HA 0.348 4.892 4.550 -0.011 0.000 0.263 185 Y C 0.760 176.686 175.900 0.044 0.000 1.164 185 Y CA 0.227 58.379 58.100 0.086 0.000 1.274 185 Y CB 0.962 39.587 38.460 0.275 0.000 1.097 185 Y HN 0.431 nan 8.280 nan 0.000 0.523 186 G N 1.393 110.253 108.800 0.100 0.000 2.690 186 G HA2 -0.230 3.723 3.960 -0.011 0.000 0.686 186 G HA3 -0.230 3.723 3.960 -0.011 0.000 0.686 186 G C -1.292 173.686 174.900 0.130 0.000 1.277 186 G CA -0.905 44.211 45.100 0.026 0.000 0.799 186 G HN 0.234 nan 8.290 nan 0.000 0.613 187 N N 1.453 120.166 118.700 0.022 0.000 2.564 187 N HA 0.575 5.309 4.740 -0.011 0.000 0.248 187 N C -0.649 174.870 175.510 0.015 0.000 0.986 187 N CA -2.095 50.991 53.050 0.059 0.000 0.921 187 N CB 1.857 40.319 38.487 -0.042 0.000 1.136 187 N HN 0.248 nan 8.380 nan 0.000 0.509 188 P HA 0.015 nan 4.420 nan 0.000 0.237 188 P C 0.496 177.490 177.300 -0.510 0.000 1.178 188 P CA 0.675 63.508 63.100 -0.445 0.000 0.766 188 P CB 0.044 31.242 31.700 -0.836 0.000 0.876 189 W N 1.645 122.975 121.300 0.050 0.000 2.737 189 W HA 0.073 4.726 4.660 -0.011 0.000 0.262 189 W C 1.313 177.890 176.519 0.097 0.000 1.282 189 W CA -0.431 56.939 57.345 0.042 0.000 1.386 189 W CB -0.022 29.468 29.460 0.050 0.000 1.099 189 W HN -0.006 nan 8.180 nan 0.000 0.621 190 E N 1.688 122.075 120.200 0.312 0.000 2.280 190 E HA 0.368 4.711 4.350 -0.011 0.000 0.264 190 E C -0.615 176.164 176.600 0.298 0.000 1.064 190 E CA -0.781 55.813 56.400 0.324 0.000 0.900 190 E CB 1.371 31.270 29.700 0.332 0.000 1.123 190 E HN -0.302 nan 8.360 nan 0.000 0.418 191 K N 1.141 121.727 120.400 0.309 0.000 2.640 191 K HA 0.415 4.729 4.320 -0.011 0.000 0.245 191 K C -1.311 175.321 176.600 0.054 0.000 0.962 191 K CA -0.379 56.021 56.287 0.187 0.000 0.896 191 K CB 1.469 34.078 32.500 0.182 0.000 1.147 191 K HN 0.672 nan 8.250 nan 0.000 0.445 192 A N 4.345 127.120 122.820 -0.075 0.000 2.477 192 A HA 0.376 4.689 4.320 -0.011 0.000 0.246 192 A C -0.329 177.092 177.584 -0.271 0.000 1.078 192 A CA -0.107 51.635 52.037 -0.491 0.000 0.770 192 A CB 0.212 18.920 19.000 -0.486 0.000 1.011 192 A HN 0.737 nan 8.150 nan 0.000 0.494 193 R N 3.123 123.458 120.500 -0.276 0.000 2.629 193 R HA 0.197 4.531 4.340 -0.011 0.000 0.277 193 R C -2.499 173.784 176.300 -0.028 0.000 1.637 193 R CA -1.370 54.695 56.100 -0.059 0.000 1.663 193 R CB 1.136 31.501 30.300 0.108 0.000 1.228 193 R HN 0.498 nan 8.270 nan 0.000 0.632 194 P HA -0.171 nan 4.420 nan 0.000 0.222 194 P C 1.032 178.288 177.300 -0.073 0.000 1.147 194 P CA 1.030 64.101 63.100 -0.049 0.000 0.790 194 P CB 0.272 31.938 31.700 -0.056 0.000 0.780 195 E N -0.555 119.534 120.200 -0.186 0.000 2.515 195 E HA -0.123 4.221 4.350 -0.011 0.000 0.201 195 E C 0.465 176.714 176.600 -0.586 0.000 1.071 195 E CA 0.763 56.925 56.400 -0.395 0.000 0.880 195 E CB -0.853 28.517 29.700 -0.550 0.000 0.828 195 E HN 0.341 nan 8.360 nan 0.000 0.540 196 F N 1.169 121.134 119.950 0.026 0.000 2.764 196 F HA 0.215 4.735 4.527 -0.011 0.000 0.310 196 F C 0.453 176.350 175.800 0.162 0.000 1.124 196 F CA -0.621 57.426 58.000 0.079 0.000 1.252 196 F CB 0.898 39.938 39.000 0.066 0.000 1.010 196 F HN -0.265 nan 8.300 nan 0.000 0.518 197 T N 2.865 117.559 114.554 0.234 0.000 2.940 197 T HA 0.225 4.568 4.350 -0.011 0.000 0.309 197 T C -0.321 174.493 174.700 0.190 0.000 1.056 197 T CA 0.458 62.701 62.100 0.239 0.000 1.137 197 T CB 0.741 69.699 68.868 0.150 0.000 0.976 197 T HN -0.136 nan 8.240 nan 0.000 0.547 198 L N 5.142 126.451 121.223 0.144 0.000 2.354 198 L HA 0.594 4.928 4.340 -0.011 0.000 0.264 198 L C -2.296 174.547 176.870 -0.046 0.000 1.008 198 L CA -2.568 52.282 54.840 0.018 0.000 0.819 198 L CB 2.055 44.054 42.059 -0.101 0.000 1.339 198 L HN 0.385 nan 8.230 nan 0.000 0.420 199 P HA 0.412 nan 4.420 nan 0.000 0.294 199 P C -1.239 175.947 177.300 -0.190 0.000 1.294 199 P CA -0.449 62.583 63.100 -0.113 0.000 0.827 199 P CB 1.822 33.455 31.700 -0.110 0.000 0.992 200 V N 4.254 124.046 119.914 -0.203 0.000 2.604 200 V HA 0.359 4.472 4.120 -0.011 0.000 0.305 200 V C 0.218 176.130 176.094 -0.303 0.000 1.043 200 V CA -0.605 61.571 62.300 -0.206 0.000 0.888 200 V CB 1.448 33.209 31.823 -0.103 0.000 0.995 200 V HN 0.603 nan 8.190 nan 0.000 0.429 201 H N 3.620 122.556 119.070 -0.224 0.000 2.499 201 H HA 0.627 5.176 4.556 -0.011 0.000 0.340 201 H C -1.371 173.685 175.328 -0.453 0.000 1.148 201 H CA -0.243 55.598 56.048 -0.345 0.000 1.215 201 H CB 2.048 31.361 29.762 -0.749 0.000 1.529 201 H HN 0.468 nan 8.280 nan 0.000 0.510 202 F N 0.051 120.056 119.950 0.091 0.000 2.599 202 F HA 0.212 4.732 4.527 -0.011 0.000 0.311 202 F C -0.293 175.630 175.800 0.205 0.000 1.076 202 F CA -0.512 57.547 58.000 0.099 0.000 0.937 202 F CB 1.088 40.068 39.000 -0.034 0.000 1.282 202 F HN 0.582 nan 8.300 nan 0.000 0.460 203 Y N 0.251 120.830 120.300 0.464 0.000 2.904 203 Y HA -0.006 4.537 4.550 -0.011 0.000 0.466 203 Y C 1.348 177.493 175.900 0.408 0.000 1.202 203 Y CA 0.661 58.958 58.100 0.329 0.000 2.492 203 Y CB -1.894 36.679 38.460 0.188 0.000 1.237 203 Y HN 1.294 nan 8.280 nan 0.000 0.633 204 G N 0.645 109.706 108.800 0.434 0.000 2.593 204 G HA2 0.127 4.080 3.960 -0.011 0.000 0.237 204 G HA3 0.127 4.080 3.960 -0.011 0.000 0.237 204 G C -0.567 174.539 174.900 0.344 0.000 1.312 204 G CA 0.908 46.181 45.100 0.288 0.000 0.896 204 G HN 1.388 nan 8.290 nan 0.000 0.574 205 R N -2.504 118.196 120.500 0.333 0.000 2.766 205 R HA 0.717 5.051 4.340 -0.011 0.000 0.270 205 R C -1.445 174.987 176.300 0.220 0.000 1.035 205 R CA -0.857 55.380 56.100 0.228 0.000 0.911 205 R CB 1.189 31.569 30.300 0.132 0.000 1.243 205 R HN 0.970 nan 8.270 nan 0.000 0.460 206 V N 0.731 120.686 119.914 0.069 0.000 2.483 206 V HA 0.396 4.509 4.120 -0.011 0.000 0.295 206 V C -0.288 175.736 176.094 -0.117 0.000 1.035 206 V CA -0.601 61.671 62.300 -0.047 0.000 0.896 206 V CB 1.489 33.207 31.823 -0.174 0.000 0.986 206 V HN 0.689 nan 8.190 nan 0.000 0.447 207 E N 2.735 122.841 120.200 -0.158 0.000 2.165 207 E HA 0.393 4.736 4.350 -0.011 0.000 0.266 207 E C -1.116 175.339 176.600 -0.241 0.000 0.889 207 E CA -0.711 55.613 56.400 -0.128 0.000 0.756 207 E CB 0.992 30.672 29.700 -0.032 0.000 1.131 207 E HN 0.672 nan 8.360 nan 0.000 0.411 208 H N 2.624 121.708 119.070 0.022 0.000 2.741 208 H HA 0.181 4.730 4.556 -0.011 0.000 0.282 208 H C -0.144 175.192 175.328 0.014 0.000 1.122 208 H CA -0.140 55.916 56.048 0.014 0.000 1.293 208 H CB 0.680 30.445 29.762 0.006 0.000 1.415 208 H HN 0.452 nan 8.280 nan 0.000 0.472 209 T N -0.417 114.192 114.554 0.093 0.000 2.887 209 T HA 0.245 4.589 4.350 -0.011 0.000 0.288 209 T C 1.361 176.096 174.700 0.058 0.000 1.021 209 T CA -0.286 61.853 62.100 0.064 0.000 1.000 209 T CB 1.839 70.729 68.868 0.037 0.000 1.034 209 T HN 0.456 nan 8.240 nan 0.000 0.467 210 S N 1.882 117.609 115.700 0.045 0.000 2.456 210 S HA -0.337 4.126 4.470 -0.011 0.000 0.359 210 S C 0.966 175.588 174.600 0.037 0.000 1.227 210 S CA 1.810 60.031 58.200 0.035 0.000 1.598 210 S CB -1.185 62.031 63.200 0.027 0.000 1.444 210 S HN 0.827 nan 8.310 nan 0.000 0.483 211 Q N 2.508 122.329 119.800 0.034 0.000 2.901 211 Q HA 0.580 4.914 4.340 -0.011 0.000 0.265 211 Q C 0.407 176.430 176.000 0.038 0.000 1.263 211 Q CA 0.756 56.579 55.803 0.033 0.000 1.088 211 Q CB 0.270 29.023 28.738 0.026 0.000 1.339 211 Q HN 0.862 nan 8.270 nan 0.000 0.546 212 G N 0.514 109.347 108.800 0.055 0.000 2.707 212 G HA2 0.088 4.042 3.960 -0.011 0.000 0.686 212 G HA3 0.088 4.042 3.960 -0.011 0.000 0.686 212 G C -0.637 174.300 174.900 0.062 0.000 1.315 212 G CA -0.672 44.466 45.100 0.064 0.000 0.832 212 G HN 0.678 nan 8.290 nan 0.000 0.573 213 A N 0.392 123.241 122.820 0.050 0.000 2.304 213 A HA 0.786 5.100 4.320 -0.011 0.000 0.271 213 A C 0.489 178.032 177.584 -0.069 0.000 1.091 213 A CA 0.431 52.426 52.037 -0.071 0.000 0.812 213 A CB 0.828 19.765 19.000 -0.107 0.000 1.056 213 A HN 0.879 nan 8.150 nan 0.000 0.489 214 K N 0.427 120.766 120.400 -0.101 0.000 2.507 214 K HA 0.205 4.519 4.320 -0.011 0.000 0.251 214 K C -1.934 174.698 176.600 0.054 0.000 0.943 214 K CA -0.373 55.904 56.287 -0.017 0.000 0.794 214 K CB 1.726 34.218 32.500 -0.013 0.000 1.188 214 K HN 0.727 nan 8.250 nan 0.000 0.428 215 W N 5.916 127.133 121.300 -0.138 0.000 2.342 215 W HA 0.344 4.997 4.660 -0.011 0.000 0.310 215 W C -0.661 175.797 176.519 -0.103 0.000 1.128 215 W CA -0.740 56.529 57.345 -0.127 0.000 1.322 215 W CB 0.163 29.533 29.460 -0.150 0.000 1.251 215 W HN 0.292 nan 8.180 nan 0.000 0.439 216 V N 2.709 122.684 119.914 0.101 0.000 3.158 216 V HA 0.601 4.714 4.120 -0.011 0.000 0.315 216 V C -0.135 175.930 176.094 -0.047 0.000 1.148 216 V CA -0.974 61.303 62.300 -0.040 0.000 1.042 216 V CB 1.815 33.643 31.823 0.009 0.000 1.101 216 V HN 0.460 nan 8.190 nan 0.000 0.448 217 D N 0.299 120.671 120.400 -0.047 0.000 2.708 217 D HA -0.144 4.490 4.640 -0.011 0.000 0.236 217 D C 0.532 176.803 176.300 -0.048 0.000 1.146 217 D CA 1.526 55.505 54.000 -0.034 0.000 0.662 217 D CB -1.754 39.049 40.800 0.005 0.000 1.059 217 D HN 1.313 nan 8.370 nan 0.000 0.428 218 T N -3.126 111.356 114.554 -0.121 0.000 2.913 218 T HA 0.360 4.703 4.350 -0.011 0.000 0.287 218 T C 0.231 174.930 174.700 -0.002 0.000 1.008 218 T CA -0.869 61.167 62.100 -0.108 0.000 1.067 218 T CB 2.561 71.177 68.868 -0.421 0.000 0.996 218 T HN 0.187 nan 8.240 nan 0.000 0.513 219 Q N 1.577 121.446 119.800 0.115 0.000 2.267 219 Q HA 0.463 4.796 4.340 -0.011 0.000 0.255 219 Q C -1.298 174.774 176.000 0.120 0.000 0.923 219 Q CA -0.731 55.138 55.803 0.111 0.000 0.925 219 Q CB 1.063 29.939 28.738 0.230 0.000 1.195 219 Q HN 0.641 nan 8.270 nan 0.000 0.417 220 V N 4.491 124.422 119.914 0.029 0.000 2.472 220 V HA 0.440 4.553 4.120 -0.011 0.000 0.290 220 V C -0.371 175.762 176.094 0.066 0.000 1.037 220 V CA -0.569 61.699 62.300 -0.054 0.000 0.908 220 V CB 1.743 33.486 31.823 -0.134 0.000 0.985 220 V HN 0.615 nan 8.190 nan 0.000 0.454 221 V N 5.937 125.921 119.914 0.116 0.000 2.638 221 V HA 0.486 4.600 4.120 -0.011 0.000 0.306 221 V C -0.291 175.916 176.094 0.189 0.000 1.052 221 V CA -0.612 61.802 62.300 0.189 0.000 0.885 221 V CB 1.923 33.932 31.823 0.311 0.000 0.999 221 V HN 0.639 nan 8.190 nan 0.000 0.424 222 L N 3.446 124.779 121.223 0.184 0.000 2.357 222 L HA 0.796 5.129 4.340 -0.011 0.000 0.273 222 L C 0.448 177.524 176.870 0.343 0.000 1.080 222 L CA -0.398 54.555 54.840 0.189 0.000 0.803 222 L CB 1.364 43.509 42.059 0.145 0.000 1.174 222 L HN 0.755 nan 8.230 nan 0.000 0.443 223 A N 4.652 127.622 122.820 0.251 0.000 2.267 223 A HA 0.598 4.911 4.320 -0.011 0.000 0.315 223 A C -0.522 177.346 177.584 0.474 0.000 1.297 223 A CA -0.454 51.769 52.037 0.309 0.000 0.865 223 A CB 0.908 19.634 19.000 -0.456 0.000 1.165 223 A HN 0.784 nan 8.150 nan 0.000 0.513 224 M N 6.071 126.006 119.600 0.558 0.000 2.129 224 M HA 0.459 4.933 4.480 -0.011 0.000 0.348 224 M C -2.600 173.983 176.300 0.472 0.000 1.116 224 M CA -2.128 53.438 55.300 0.443 0.000 1.022 224 M CB 1.998 34.782 32.600 0.307 0.000 1.599 224 M HN 0.357 nan 8.290 nan 0.000 0.449 225 P HA 0.251 nan 4.420 nan 0.000 0.286 225 P C -1.945 175.294 177.300 -0.102 0.000 1.261 225 P CA -0.033 62.999 63.100 -0.112 0.000 0.821 225 P CB 0.579 31.974 31.700 -0.510 0.000 1.013 226 Y N 0.542 120.788 120.300 -0.090 0.000 2.331 226 Y HA 0.309 4.852 4.550 -0.011 0.000 0.334 226 Y C 0.143 176.034 175.900 -0.015 0.000 0.960 226 Y CA -0.296 57.806 58.100 0.004 0.000 1.130 226 Y CB 1.369 39.865 38.460 0.060 0.000 1.164 226 Y HN 0.216 nan 8.280 nan 0.000 0.458 227 D N 2.160 122.660 120.400 0.166 0.000 2.232 227 D HA 0.361 4.994 4.640 -0.011 0.000 0.242 227 D C -0.582 175.965 176.300 0.411 0.000 1.093 227 D CA -0.142 53.997 54.000 0.233 0.000 0.845 227 D CB 1.645 42.573 40.800 0.213 0.000 1.124 227 D HN 0.371 nan 8.370 nan 0.000 0.467 228 T N 3.600 118.305 114.554 0.252 0.000 2.807 228 T HA 0.454 4.797 4.350 -0.011 0.000 0.279 228 T C -2.501 172.070 174.700 -0.214 0.000 0.993 228 T CA -1.507 60.648 62.100 0.091 0.000 0.970 228 T CB 1.982 70.880 68.868 0.050 0.000 0.950 228 T HN 0.164 nan 8.240 nan 0.000 0.441 229 P HA 0.304 nan 4.420 nan 0.000 0.276 229 P C -0.979 175.975 177.300 -0.577 0.000 1.230 229 P CA -0.388 62.015 63.100 -1.162 0.000 0.776 229 P CB 0.803 31.527 31.700 -1.627 0.000 0.888 230 V N 5.448 125.084 119.914 -0.463 0.000 2.305 230 V HA 0.261 4.374 4.120 -0.011 0.000 0.275 230 V C -2.073 173.874 176.094 -0.245 0.000 1.020 230 V CA -1.914 60.214 62.300 -0.286 0.000 0.811 230 V CB 1.369 33.074 31.823 -0.198 0.000 1.031 230 V HN 0.539 nan 8.190 nan 0.000 0.439 231 P HA 0.267 nan 4.420 nan 0.000 0.281 231 P C 0.374 177.616 177.300 -0.097 0.000 1.252 231 P CA 0.325 63.325 63.100 -0.166 0.000 0.778 231 P CB 1.660 33.258 31.700 -0.170 0.000 0.895 232 G N 2.557 111.319 108.800 -0.064 0.000 2.599 232 G HA2 0.128 4.082 3.960 -0.011 0.000 0.264 232 G HA3 0.128 4.082 3.960 -0.011 0.000 0.264 232 G C -1.149 173.759 174.900 0.012 0.000 1.200 232 G CA -0.590 44.503 45.100 -0.011 0.000 0.896 232 G HN 0.514 nan 8.290 nan 0.000 0.536 233 Y N 0.531 120.791 120.300 -0.065 0.000 2.637 233 Y HA 0.248 4.792 4.550 -0.011 0.000 0.350 233 Y C 1.272 177.134 175.900 -0.063 0.000 1.069 233 Y CA -0.157 57.901 58.100 -0.071 0.000 1.397 233 Y CB 0.137 38.555 38.460 -0.070 0.000 1.163 233 Y HN 0.713 nan 8.280 nan 0.000 0.527 234 R N 2.770 122.931 120.500 -0.565 0.000 3.610 234 R HA -0.320 4.013 4.340 -0.011 0.000 0.274 234 R C 0.046 176.200 176.300 -0.242 0.000 1.123 234 R CA 1.515 57.323 56.100 -0.486 0.000 0.747 234 R CB -1.873 27.965 30.300 -0.770 0.000 1.149 234 R HN 0.947 nan 8.270 nan 0.000 0.471 235 N N -1.521 117.091 118.700 -0.145 0.000 2.171 235 N HA 0.073 4.806 4.740 -0.011 0.000 0.212 235 N C -0.215 175.251 175.510 -0.074 0.000 1.184 235 N CA -0.350 52.650 53.050 -0.084 0.000 0.888 235 N CB 0.545 39.010 38.487 -0.037 0.000 1.038 235 N HN 0.078 nan 8.380 nan 0.000 0.517 236 N N -0.216 118.433 118.700 -0.085 0.000 2.782 236 N HA -0.130 4.604 4.740 -0.011 0.000 0.251 236 N C -1.101 174.372 175.510 -0.062 0.000 1.101 236 N CA 0.537 53.546 53.050 -0.069 0.000 0.764 236 N CB -1.324 37.124 38.487 -0.065 0.000 1.122 236 N HN 0.197 nan 8.380 nan 0.000 0.561 237 V N 0.991 120.872 119.914 -0.055 0.000 2.481 237 V HA 0.509 4.622 4.120 -0.011 0.000 0.286 237 V C 0.488 176.547 176.094 -0.058 0.000 1.042 237 V CA -0.550 61.725 62.300 -0.041 0.000 0.928 237 V CB 2.254 34.081 31.823 0.007 0.000 0.986 237 V HN -0.047 nan 8.190 nan 0.000 0.462 238 V N 5.325 125.204 119.914 -0.060 0.000 2.419 238 V HA 0.435 4.548 4.120 -0.011 0.000 0.287 238 V C -0.112 175.936 176.094 -0.076 0.000 1.017 238 V CA -0.844 61.377 62.300 -0.133 0.000 0.844 238 V CB 1.472 33.182 31.823 -0.188 0.000 1.011 238 V HN 0.839 nan 8.190 nan 0.000 0.429 239 N N 1.987 120.623 118.700 -0.107 0.000 2.418 239 N HA 0.590 5.324 4.740 -0.011 0.000 0.283 239 N C -0.039 175.425 175.510 -0.076 0.000 1.267 239 N CA -0.259 52.752 53.050 -0.066 0.000 0.975 239 N CB 1.223 39.641 38.487 -0.116 0.000 1.167 239 N HN 0.596 nan 8.380 nan 0.000 0.581 240 T N 0.632 115.154 114.554 -0.054 0.000 2.876 240 T HA 0.424 4.767 4.350 -0.011 0.000 0.289 240 T C -0.351 174.303 174.700 -0.078 0.000 1.014 240 T CA -0.541 61.599 62.100 0.066 0.000 0.986 240 T CB 1.273 70.314 68.868 0.288 0.000 1.021 240 T HN 0.320 nan 8.240 nan 0.000 0.458 241 M N 3.536 123.068 119.600 -0.113 0.000 2.072 241 M HA 0.508 4.981 4.480 -0.011 0.000 0.331 241 M C -0.601 175.558 176.300 -0.236 0.000 1.004 241 M CA -0.748 54.397 55.300 -0.260 0.000 0.952 241 M CB 0.820 33.218 32.600 -0.337 0.000 1.511 241 M HN 0.502 nan 8.290 nan 0.000 0.422 242 R N 4.707 124.974 120.500 -0.389 0.000 2.255 242 R HA 0.558 4.891 4.340 -0.011 0.000 0.326 242 R C -1.938 174.133 176.300 -0.383 0.000 0.986 242 R CA -0.570 55.276 56.100 -0.423 0.000 0.847 242 R CB 0.890 30.790 30.300 -0.666 0.000 1.111 242 R HN 0.635 nan 8.270 nan 0.000 0.452 243 L N 5.677 126.760 121.223 -0.234 0.000 2.313 243 L HA 0.454 4.787 4.340 -0.011 0.000 0.283 243 L C -1.046 175.821 176.870 -0.004 0.000 1.013 243 L CA -0.617 54.183 54.840 -0.067 0.000 0.816 243 L CB 1.165 43.256 42.059 0.055 0.000 1.236 243 L HN 0.631 nan 8.230 nan 0.000 0.419 244 W N 2.296 123.736 121.300 0.232 0.000 2.315 244 W HA 0.583 5.236 4.660 -0.011 0.000 0.316 244 W C 0.617 177.380 176.519 0.407 0.000 1.211 244 W CA -0.244 57.264 57.345 0.272 0.000 1.201 244 W CB 1.309 30.793 29.460 0.039 0.000 1.184 244 W HN 0.421 nan 8.180 nan 0.000 0.544 245 S N 1.714 117.845 115.700 0.719 0.000 2.482 245 S HA 0.749 5.212 4.470 -0.011 0.000 0.303 245 S C -0.384 174.565 174.600 0.582 0.000 1.091 245 S CA -0.727 57.791 58.200 0.530 0.000 1.057 245 S CB 0.616 64.083 63.200 0.444 0.000 1.031 245 S HN 0.516 nan 8.310 nan 0.000 0.485 246 A N 4.727 127.715 122.820 0.280 0.000 2.366 246 A HA 0.651 4.964 4.320 -0.011 0.000 0.272 246 A C -0.110 177.564 177.584 0.150 0.000 1.135 246 A CA -0.185 51.907 52.037 0.092 0.000 0.804 246 A CB 0.317 19.110 19.000 -0.344 0.000 1.064 246 A HN 0.607 nan 8.150 nan 0.000 0.499 247 K N 0.879 121.390 120.400 0.185 0.000 2.464 247 K HA 0.647 4.960 4.320 -0.011 0.000 0.253 247 K C -0.555 176.114 176.600 0.116 0.000 0.933 247 K CA -0.388 55.987 56.287 0.146 0.000 0.801 247 K CB 2.232 34.836 32.500 0.172 0.000 1.271 247 K HN 0.836 nan 8.250 nan 0.000 0.430 248 A N 3.662 126.533 122.820 0.084 0.000 2.316 248 A HA 0.632 4.945 4.320 -0.011 0.000 0.284 248 A C -2.315 175.315 177.584 0.077 0.000 1.115 248 A CA -1.291 50.790 52.037 0.074 0.000 0.812 248 A CB 0.000 19.033 19.000 0.054 0.000 1.064 248 A HN 0.311 nan 8.150 nan 0.000 0.489 249 P HA 0.201 nan 4.420 nan 0.000 0.278 249 P C 0.035 177.378 177.300 0.072 0.000 1.238 249 P CA -0.508 62.638 63.100 0.077 0.000 0.794 249 P CB 0.576 32.330 31.700 0.090 0.000 0.955 250 N N 1.275 120.009 118.700 0.056 0.000 2.515 250 N HA -0.081 4.652 4.740 -0.011 0.000 0.185 250 N C 0.775 176.312 175.510 0.045 0.000 1.109 250 N CA 0.590 53.668 53.050 0.048 0.000 0.903 250 N CB -0.048 38.463 38.487 0.039 0.000 0.969 250 N HN 0.603 nan 8.380 nan 0.000 0.450 251 D N 0.890 121.317 120.400 0.045 0.000 2.099 251 D HA -0.098 4.535 4.640 -0.011 0.000 0.278 251 D C 1.567 177.899 176.300 0.053 0.000 1.140 251 D CA 0.023 54.026 54.000 0.006 0.000 0.894 251 D CB -0.973 39.800 40.800 -0.046 0.000 0.945 251 D HN 0.033 nan 8.370 nan 0.000 0.338 252 F N 0.720 120.688 119.950 0.031 0.000 2.176 252 F HA -0.232 4.288 4.527 -0.011 0.000 0.301 252 F C 1.717 177.540 175.800 0.038 0.000 1.071 252 F CA 1.274 59.298 58.000 0.041 0.000 1.289 252 F CB -0.385 38.638 39.000 0.038 0.000 1.028 252 F HN 0.073 nan 8.300 nan 0.000 0.494 253 N N 0.287 119.122 118.700 0.226 0.000 2.542 253 N HA 0.001 4.734 4.740 -0.011 0.000 0.234 253 N C 0.683 176.247 175.510 0.090 0.000 1.257 253 N CA 0.078 53.205 53.050 0.128 0.000 0.883 253 N CB 0.080 38.618 38.487 0.085 0.000 1.197 253 N HN 0.131 nan 8.380 nan 0.000 0.488 254 L N -1.478 119.820 121.223 0.125 0.000 3.583 254 L HA -0.051 4.283 4.340 -0.011 0.000 0.402 254 L C 1.279 178.222 176.870 0.121 0.000 0.981 254 L CA 0.656 55.553 54.840 0.095 0.000 1.807 254 L CB -0.786 41.313 42.059 0.067 0.000 2.565 254 L HN 0.129 nan 8.230 nan 0.000 0.547 255 K N 0.061 120.519 120.400 0.096 0.000 2.243 255 K HA -0.016 4.297 4.320 -0.011 0.000 0.201 255 K C 0.535 177.203 176.600 0.113 0.000 1.051 255 K CA 0.787 57.054 56.287 -0.033 0.000 0.970 255 K CB 0.073 32.359 32.500 -0.355 0.000 0.755 255 K HN 0.066 nan 8.250 nan 0.000 0.465 256 D N 2.451 123.116 120.400 0.443 0.000 2.540 256 D HA -0.038 4.595 4.640 -0.011 0.000 0.237 256 D C 0.020 176.575 176.300 0.425 0.000 1.181 256 D CA -0.036 54.327 54.000 0.604 0.000 1.119 256 D CB -0.281 40.814 40.800 0.491 0.000 1.119 256 D HN 0.170 nan 8.370 nan 0.000 0.498 257 F N 0.960 120.976 119.950 0.110 0.000 2.378 257 F HA 0.153 4.673 4.527 -0.011 0.000 0.290 257 F C 0.729 176.569 175.800 0.067 0.000 1.282 257 F CA -1.614 56.428 58.000 0.070 0.000 1.278 257 F CB -0.529 38.494 39.000 0.039 0.000 1.364 257 F HN 0.313 nan 8.300 nan 0.000 0.514 258 N N -0.675 117.875 118.700 -0.251 0.000 3.038 258 N HA 0.054 4.787 4.740 -0.011 0.000 0.257 258 N C -1.374 174.067 175.510 -0.115 0.000 1.098 258 N CA 0.506 53.354 53.050 -0.337 0.000 0.669 258 N CB -0.973 37.178 38.487 -0.561 0.000 1.007 258 N HN 0.857 nan 8.380 nan 0.000 0.574 259 V N -1.841 118.058 119.914 -0.026 0.000 3.734 259 V HA -0.066 4.048 4.120 -0.011 0.000 0.532 259 V C 1.527 177.630 176.094 0.016 0.000 0.682 259 V CA 1.549 63.851 62.300 0.004 0.000 2.093 259 V CB -1.078 30.737 31.823 -0.014 0.000 2.495 259 V HN 1.130 nan 8.190 nan 0.000 0.517 260 G N -0.384 108.430 108.800 0.024 0.000 3.006 260 G HA2 0.599 4.553 3.960 -0.011 0.000 0.195 260 G HA3 0.599 4.553 3.960 -0.011 0.000 0.195 260 G C 1.271 176.190 174.900 0.032 0.000 1.034 260 G CA 0.987 46.101 45.100 0.022 0.000 0.807 260 G HN 3.219 nan 8.290 nan 0.000 0.469 261 G N -1.145 107.688 108.800 0.056 0.000 3.233 261 G HA2 0.243 4.197 3.960 -0.011 0.000 0.686 261 G HA3 0.243 4.197 3.960 -0.011 0.000 0.686 261 G C -0.013 174.941 174.900 0.091 0.000 1.153 261 G CA 0.363 45.507 45.100 0.073 0.000 0.853 261 G HN 1.620 nan 8.290 nan 0.000 0.582 262 Y N 3.535 123.852 120.300 0.029 0.000 2.145 262 Y HA -0.058 4.486 4.550 -0.011 0.000 0.286 262 Y C 2.522 178.438 175.900 0.027 0.000 1.145 262 Y CA 2.243 60.362 58.100 0.031 0.000 1.148 262 Y CB -0.029 38.446 38.460 0.027 0.000 0.981 262 Y HN 0.511 nan 8.280 nan 0.000 0.507 263 I N 0.546 121.062 120.570 -0.090 0.000 2.099 263 I HA -0.318 3.845 4.170 -0.011 0.000 0.239 263 I C 2.429 178.445 176.117 -0.168 0.000 1.066 263 I CA 1.522 62.721 61.300 -0.169 0.000 1.324 263 I CB -1.504 36.501 38.000 0.009 0.000 1.037 263 I HN 0.330 nan 8.210 nan 0.000 0.401 264 Q N 0.730 120.484 119.800 -0.077 0.000 2.096 264 Q HA -0.199 4.135 4.340 -0.011 0.000 0.208 264 Q C 2.351 178.305 176.000 -0.076 0.000 0.993 264 Q CA 2.319 58.090 55.803 -0.055 0.000 0.862 264 Q CB -0.623 28.103 28.738 -0.020 0.000 0.915 264 Q HN 0.559 nan 8.270 nan 0.000 0.416 265 A N 0.058 122.823 122.820 -0.093 0.000 1.917 265 A HA -0.187 4.126 4.320 -0.011 0.000 0.219 265 A C 2.200 179.716 177.584 -0.112 0.000 1.182 265 A CA 2.445 54.435 52.037 -0.079 0.000 0.633 265 A CB -0.975 17.990 19.000 -0.058 0.000 0.819 265 A HN 0.373 nan 8.150 nan 0.000 0.448 266 V N -2.130 117.654 119.914 -0.217 0.000 2.719 266 V HA -0.015 4.098 4.120 -0.011 0.000 0.252 266 V C 2.046 178.080 176.094 -0.100 0.000 1.065 266 V CA 1.641 63.836 62.300 -0.175 0.000 1.086 266 V CB -0.593 31.069 31.823 -0.269 0.000 0.700 266 V HN 0.453 nan 8.190 nan 0.000 0.467 267 L N 0.001 121.168 121.223 -0.094 0.000 2.217 267 L HA 0.024 4.357 4.340 -0.011 0.000 0.211 267 L C 1.924 178.776 176.870 -0.031 0.000 1.107 267 L CA 1.347 56.157 54.840 -0.050 0.000 0.783 267 L CB -0.585 41.448 42.059 -0.043 0.000 0.919 267 L HN 0.310 nan 8.230 nan 0.000 0.442 268 D N -0.080 120.300 120.400 -0.034 0.000 2.349 268 D HA -0.032 4.601 4.640 -0.011 0.000 0.224 268 D C 2.026 178.321 176.300 -0.009 0.000 1.029 268 D CA 0.306 54.295 54.000 -0.018 0.000 0.879 268 D CB 0.130 40.920 40.800 -0.017 0.000 0.906 268 D HN 0.200 nan 8.370 nan 0.000 0.528 269 R N 0.285 120.779 120.500 -0.010 0.000 2.115 269 R HA -0.004 4.329 4.340 -0.011 0.000 0.230 269 R C 1.454 177.759 176.300 0.009 0.000 1.111 269 R CA 0.531 56.633 56.100 0.005 0.000 0.976 269 R CB -0.035 30.268 30.300 0.006 0.000 0.870 269 R HN 0.119 nan 8.270 nan 0.000 0.445 270 N N 0.706 119.410 118.700 0.007 0.000 2.519 270 N HA -0.123 4.610 4.740 -0.011 0.000 0.186 270 N C 1.361 176.876 175.510 0.007 0.000 1.062 270 N CA 0.862 53.920 53.050 0.014 0.000 0.910 270 N CB 0.051 38.548 38.487 0.016 0.000 0.958 270 N HN 0.105 nan 8.380 nan 0.000 0.445 271 L N 0.606 121.828 121.223 -0.001 0.000 2.156 271 L HA 0.025 4.358 4.340 -0.011 0.000 0.208 271 L C 2.268 179.123 176.870 -0.026 0.000 1.095 271 L CA 0.983 55.817 54.840 -0.010 0.000 0.770 271 L CB -0.823 41.229 42.059 -0.012 0.000 0.914 271 L HN 0.062 nan 8.230 nan 0.000 0.439 272 A N -1.003 121.804 122.820 -0.021 0.000 1.975 272 A HA -0.070 4.244 4.320 -0.011 0.000 0.215 272 A C 2.010 179.559 177.584 -0.060 0.000 1.170 272 A CA 0.742 52.754 52.037 -0.041 0.000 0.656 272 A CB -0.274 18.725 19.000 -0.001 0.000 0.821 272 A HN 0.474 nan 8.150 nan 0.000 0.449 273 E N 0.152 120.339 120.200 -0.022 0.000 2.502 273 E HA -0.029 4.314 4.350 -0.011 0.000 0.194 273 E C 0.765 177.361 176.600 -0.007 0.000 1.062 273 E CA -0.069 56.324 56.400 -0.012 0.000 0.867 273 E CB -0.083 29.636 29.700 0.031 0.000 0.888 273 E HN 0.405 nan 8.360 nan 0.000 0.510 274 N N 1.033 119.727 118.700 -0.011 0.000 2.459 274 N HA -0.034 4.699 4.740 -0.011 0.000 0.181 274 N C 1.591 177.109 175.510 0.013 0.000 1.046 274 N CA 0.493 53.555 53.050 0.020 0.000 0.904 274 N CB 0.052 38.547 38.487 0.014 0.000 0.964 274 N HN 0.250 nan 8.380 nan 0.000 0.444 275 I N 0.315 120.839 120.570 -0.078 0.000 2.208 275 I HA -0.251 3.912 4.170 -0.011 0.000 0.245 275 I C 1.374 177.473 176.117 -0.030 0.000 1.097 275 I CA 1.259 62.483 61.300 -0.127 0.000 1.363 275 I CB -0.175 37.583 38.000 -0.404 0.000 1.051 275 I HN 0.128 nan 8.210 nan 0.000 0.413 276 S N -0.400 115.274 115.700 -0.044 0.000 2.583 276 S HA 0.169 4.633 4.470 -0.011 0.000 0.239 276 S C 1.446 176.188 174.600 0.236 0.000 0.966 276 S CA -0.517 57.744 58.200 0.101 0.000 0.973 276 S CB 0.213 63.456 63.200 0.072 0.000 0.794 276 S HN 0.229 nan 8.310 nan 0.000 0.463 277 R N 1.175 121.816 120.500 0.234 0.000 2.062 277 R HA 0.268 4.601 4.340 -0.011 0.000 0.229 277 R C 0.442 176.992 176.300 0.416 0.000 1.128 277 R CA 1.151 57.429 56.100 0.296 0.000 0.960 277 R CB -0.202 30.237 30.300 0.232 0.000 0.855 277 R HN 0.395 nan 8.270 nan 0.000 0.432 278 V N 0.353 120.461 119.914 0.323 0.000 2.971 278 V HA 0.381 4.494 4.120 -0.011 0.000 0.309 278 V C -1.486 174.532 176.094 -0.128 0.000 1.130 278 V CA -1.382 61.027 62.300 0.181 0.000 0.964 278 V CB 1.805 33.666 31.823 0.063 0.000 1.029 278 V HN 0.192 nan 8.190 nan 0.000 0.427 279 L N 6.178 127.099 121.223 -0.503 0.000 2.380 279 L HA 0.478 4.812 4.340 -0.011 0.000 0.273 279 L C -0.942 175.726 176.870 -0.338 0.000 1.138 279 L CA 0.407 54.715 54.840 -0.887 0.000 0.832 279 L CB 0.614 42.129 42.059 -0.907 0.000 1.124 279 L HN 0.695 nan 8.230 nan 0.000 0.454 280 Y N 6.700 126.887 120.300 -0.188 0.000 2.496 280 Y HA 0.238 4.781 4.550 -0.011 0.000 0.334 280 Y C -1.357 174.527 175.900 -0.027 0.000 1.080 280 Y CA -1.192 56.879 58.100 -0.049 0.000 1.355 280 Y CB 0.553 39.007 38.460 -0.009 0.000 1.193 280 Y HN 0.605 nan 8.280 nan 0.000 0.523 281 P HA -0.060 nan 4.420 nan 0.000 0.249 281 P C -0.174 177.257 177.300 0.219 0.000 1.229 281 P CA 0.306 63.516 63.100 0.183 0.000 0.788 281 P CB 0.217 32.117 31.700 0.334 0.000 1.072 282 N N 1.435 120.266 118.700 0.220 0.000 2.438 282 N HA -0.036 4.697 4.740 -0.011 0.000 0.267 282 N C 0.489 176.116 175.510 0.195 0.000 1.222 282 N CA 0.543 53.714 53.050 0.203 0.000 0.930 282 N CB 0.414 39.005 38.487 0.173 0.000 1.083 282 N HN -0.123 nan 8.380 nan 0.000 0.476 283 D N 1.625 122.173 120.400 0.246 0.000 2.338 283 D HA -0.022 4.611 4.640 -0.011 0.000 0.224 283 D C 1.399 177.916 176.300 0.361 0.000 0.967 283 D CA 0.730 54.924 54.000 0.324 0.000 0.896 283 D CB 0.385 41.459 40.800 0.457 0.000 1.028 283 D HN 0.693 nan 8.370 nan 0.000 0.493 284 N N -0.670 118.229 118.700 0.332 0.000 2.511 284 N HA -0.053 4.680 4.740 -0.011 0.000 0.190 284 N C 0.254 175.892 175.510 0.213 0.000 1.037 284 N CA 0.036 53.240 53.050 0.257 0.000 0.895 284 N CB -0.442 38.095 38.487 0.084 0.000 1.149 284 N HN 0.010 nan 8.380 nan 0.000 0.437 285 F N 1.233 121.161 119.950 -0.037 0.000 2.399 285 F HA 0.431 4.951 4.527 -0.011 0.000 0.334 285 F C -0.497 175.326 175.800 0.038 0.000 1.097 285 F CA -2.084 55.910 58.000 -0.011 0.000 1.076 285 F CB 0.841 39.799 39.000 -0.070 0.000 1.162 285 F HN -0.016 nan 8.300 nan 0.000 0.495 286 F N 5.739 125.313 119.950 -0.626 0.000 2.413 286 F HA 0.254 4.774 4.527 -0.011 0.000 0.359 286 F C 1.047 176.474 175.800 -0.623 0.000 1.122 286 F CA -0.039 57.639 58.000 -0.537 0.000 1.160 286 F CB 0.547 39.232 39.000 -0.525 0.000 1.146 286 F HN 0.698 nan 8.300 nan 0.000 0.514 287 E N 3.792 123.426 120.200 -0.943 0.000 2.033 287 E HA 0.087 4.430 4.350 -0.011 0.000 0.189 287 E C 1.299 177.262 176.600 -1.063 0.000 0.979 287 E CA 0.819 56.778 56.400 -0.735 0.000 0.802 287 E CB -0.147 29.355 29.700 -0.330 0.000 0.763 287 E HN 1.035 nan 8.360 nan 0.000 0.449 288 G N 2.051 109.951 108.800 -1.500 0.000 2.203 288 G HA2 -0.174 3.780 3.960 -0.011 0.000 0.231 288 G HA3 -0.174 3.780 3.960 -0.011 0.000 0.231 288 G C -0.243 174.535 174.900 -0.202 0.000 1.058 288 G CA -0.092 44.312 45.100 -1.161 0.000 0.781 288 G HN -0.085 nan 8.290 nan 0.000 0.496 289 K N 0.197 120.522 120.400 -0.126 0.000 2.185 289 K HA 0.306 4.619 4.320 -0.011 0.000 0.271 289 K C 1.232 177.938 176.600 0.178 0.000 1.013 289 K CA -0.458 55.857 56.287 0.047 0.000 0.943 289 K CB 1.338 33.852 32.500 0.024 0.000 0.998 289 K HN 0.423 nan 8.250 nan 0.000 0.468 290 E N 1.330 121.606 120.200 0.127 0.000 2.110 290 E HA -0.188 4.155 4.350 -0.011 0.000 0.193 290 E C 1.530 178.150 176.600 0.033 0.000 0.988 290 E CA 0.778 57.215 56.400 0.062 0.000 0.804 290 E CB 0.153 29.890 29.700 0.061 0.000 0.745 290 E HN 0.392 nan 8.360 nan 0.000 0.458 291 L N 1.350 122.631 121.223 0.097 0.000 2.127 291 L HA -0.162 4.171 4.340 -0.011 0.000 0.211 291 L C 2.415 179.375 176.870 0.151 0.000 1.089 291 L CA 1.748 56.669 54.840 0.135 0.000 0.757 291 L CB -0.456 41.756 42.059 0.254 0.000 0.899 291 L HN 0.002 nan 8.230 nan 0.000 0.434 292 R N -0.793 119.735 120.500 0.046 0.000 2.090 292 R HA -0.124 4.209 4.340 -0.011 0.000 0.228 292 R C 2.076 178.431 176.300 0.092 0.000 1.110 292 R CA 1.589 57.665 56.100 -0.041 0.000 0.973 292 R CB -0.868 29.198 30.300 -0.389 0.000 0.869 292 R HN 0.391 nan 8.270 nan 0.000 0.440 293 L N 0.949 122.143 121.223 -0.049 0.000 2.083 293 L HA -0.058 4.275 4.340 -0.011 0.000 0.209 293 L C 1.655 178.478 176.870 -0.079 0.000 1.083 293 L CA 1.898 56.498 54.840 -0.400 0.000 0.752 293 L CB -0.465 41.048 42.059 -0.910 0.000 0.899 293 L HN 0.155 nan 8.230 nan 0.000 0.433 294 K N -0.994 119.411 120.400 0.009 0.000 2.057 294 K HA -0.191 4.122 4.320 -0.011 0.000 0.207 294 K C 2.096 178.873 176.600 0.294 0.000 1.049 294 K CA 1.776 58.153 56.287 0.151 0.000 0.931 294 K CB -0.172 32.245 32.500 -0.137 0.000 0.714 294 K HN 0.495 nan 8.250 nan 0.000 0.440 295 Q N 0.496 120.432 119.800 0.226 0.000 2.124 295 Q HA -0.197 4.137 4.340 -0.011 0.000 0.202 295 Q C 1.911 178.115 176.000 0.341 0.000 0.977 295 Q CA 1.441 57.430 55.803 0.311 0.000 0.850 295 Q CB 0.005 28.950 28.738 0.345 0.000 0.901 295 Q HN 0.395 nan 8.270 nan 0.000 0.429 296 E N -0.299 120.057 120.200 0.260 0.000 2.072 296 E HA -0.194 4.150 4.350 -0.011 0.000 0.191 296 E C 1.711 178.421 176.600 0.183 0.000 0.985 296 E CA 0.898 57.429 56.400 0.219 0.000 0.801 296 E CB -0.105 29.706 29.700 0.185 0.000 0.750 296 E HN 0.318 nan 8.360 nan 0.000 0.452 297 Y N 0.446 120.789 120.300 0.071 0.000 2.263 297 Y HA -0.197 4.347 4.550 -0.011 0.000 0.292 297 Y C 1.943 177.861 175.900 0.031 0.000 1.130 297 Y CA 0.930 59.014 58.100 -0.028 0.000 1.179 297 Y CB -0.371 38.022 38.460 -0.110 0.000 0.998 297 Y HN 0.008 nan 8.280 nan 0.000 0.532 298 F N -0.270 119.659 119.950 -0.035 0.000 2.065 298 F HA -0.249 4.271 4.527 -0.011 0.000 0.298 298 F C 2.489 178.129 175.800 -0.266 0.000 1.112 298 F CA 2.075 60.013 58.000 -0.104 0.000 1.212 298 F CB -1.067 38.028 39.000 0.159 0.000 0.975 298 F HN -0.068 nan 8.300 nan 0.000 0.476 299 V N -0.507 119.352 119.914 -0.091 0.000 2.515 299 V HA -0.186 3.928 4.120 -0.011 0.000 0.250 299 V C 2.131 178.056 176.094 -0.281 0.000 1.058 299 V CA 1.830 64.032 62.300 -0.163 0.000 1.064 299 V CB -0.326 31.613 31.823 0.194 0.000 0.675 299 V HN 0.269 nan 8.190 nan 0.000 0.461 300 V N 0.356 120.113 119.914 -0.262 0.000 2.283 300 V HA -0.131 3.982 4.120 -0.011 0.000 0.243 300 V C 2.808 178.627 176.094 -0.458 0.000 1.039 300 V CA 2.024 64.160 62.300 -0.274 0.000 1.016 300 V CB -1.050 30.677 31.823 -0.160 0.000 0.650 300 V HN 0.624 nan 8.190 nan 0.000 0.449 301 A N -0.041 122.328 122.820 -0.752 0.000 1.877 301 A HA -0.145 4.168 4.320 -0.011 0.000 0.216 301 A C 2.392 179.591 177.584 -0.641 0.000 1.186 301 A CA 2.269 53.855 52.037 -0.751 0.000 0.620 301 A CB -0.841 17.459 19.000 -1.166 0.000 0.822 301 A HN 0.573 nan 8.150 nan 0.000 0.443 302 A N -1.186 121.090 122.820 -0.906 0.000 1.898 302 A HA -0.051 4.262 4.320 -0.011 0.000 0.216 302 A C 2.308 179.364 177.584 -0.880 0.000 1.181 302 A CA 2.227 53.552 52.037 -1.188 0.000 0.620 302 A CB -1.239 16.417 19.000 -2.240 0.000 0.819 302 A HN 0.429 nan 8.150 nan 0.000 0.442 303 T N 0.474 114.630 114.554 -0.663 0.000 2.746 303 T HA -0.075 4.269 4.350 -0.011 0.000 0.267 303 T C 1.814 176.235 174.700 -0.466 0.000 1.039 303 T CA 1.387 63.214 62.100 -0.455 0.000 1.142 303 T CB -0.350 68.236 68.868 -0.471 0.000 0.866 303 T HN 0.339 nan 8.240 nan 0.000 0.444 304 L N 0.634 121.636 121.223 -0.368 0.000 2.083 304 L HA -0.135 4.198 4.340 -0.011 0.000 0.209 304 L C 2.924 179.682 176.870 -0.187 0.000 1.083 304 L CA 1.362 56.045 54.840 -0.261 0.000 0.752 304 L CB -0.513 41.431 42.059 -0.193 0.000 0.899 304 L HN 0.342 nan 8.230 nan 0.000 0.433 305 Q N -0.443 119.244 119.800 -0.188 0.000 2.084 305 Q HA -0.261 4.072 4.340 -0.011 0.000 0.202 305 Q C 1.782 177.757 176.000 -0.041 0.000 0.978 305 Q CA 1.863 57.608 55.803 -0.097 0.000 0.844 305 Q CB -0.090 28.580 28.738 -0.114 0.000 0.898 305 Q HN 0.391 nan 8.270 nan 0.000 0.426 306 D N 0.318 120.684 120.400 -0.056 0.000 2.144 306 D HA -0.097 4.536 4.640 -0.011 0.000 0.200 306 D C 1.627 177.887 176.300 -0.066 0.000 0.978 306 D CA 0.839 54.854 54.000 0.025 0.000 0.833 306 D CB 0.012 40.924 40.800 0.187 0.000 0.961 306 D HN 0.169 nan 8.370 nan 0.000 0.470 307 I N 0.047 120.480 120.570 -0.228 0.000 2.202 307 I HA -0.211 3.953 4.170 -0.011 0.000 0.242 307 I C 2.257 178.387 176.117 0.022 0.000 1.091 307 I CA 0.702 61.808 61.300 -0.322 0.000 1.368 307 I CB -0.090 37.563 38.000 -0.579 0.000 1.058 307 I HN 0.046 nan 8.210 nan 0.000 0.410 308 I N 0.297 120.931 120.570 0.107 0.000 2.315 308 I HA -0.272 3.891 4.170 -0.011 0.000 0.248 308 I C 2.774 179.058 176.117 0.278 0.000 1.117 308 I CA 1.065 62.540 61.300 0.292 0.000 1.404 308 I CB -0.400 37.722 38.000 0.204 0.000 1.071 308 I HN 0.212 nan 8.210 nan 0.000 0.419 309 R N 1.385 121.979 120.500 0.157 0.000 2.073 309 R HA -0.219 4.115 4.340 -0.011 0.000 0.234 309 R C 2.476 178.853 176.300 0.130 0.000 1.134 309 R CA 1.690 57.870 56.100 0.133 0.000 0.952 309 R CB -0.280 30.084 30.300 0.107 0.000 0.850 309 R HN 0.208 nan 8.270 nan 0.000 0.433 310 R N -0.545 120.028 120.500 0.123 0.000 2.115 310 R HA -0.157 4.176 4.340 -0.011 0.000 0.230 310 R C 2.093 178.496 176.300 0.171 0.000 1.111 310 R CA 1.513 57.686 56.100 0.122 0.000 0.976 310 R CB -0.330 30.025 30.300 0.091 0.000 0.870 310 R HN 0.305 nan 8.270 nan 0.000 0.445 311 F N 1.576 121.572 119.950 0.077 0.000 2.128 311 F HA -0.058 4.462 4.527 -0.011 0.000 0.295 311 F C 1.640 177.456 175.800 0.028 0.000 1.100 311 F CA 1.380 59.420 58.000 0.067 0.000 1.260 311 F CB -0.052 39.050 39.000 0.170 0.000 1.009 311 F HN -0.163 nan 8.300 nan 0.000 0.476 312 K N 0.092 120.447 120.400 -0.074 0.000 2.281 312 K HA -0.117 4.196 4.320 -0.011 0.000 0.203 312 K C 2.126 178.619 176.600 -0.179 0.000 1.046 312 K CA 1.331 57.494 56.287 -0.207 0.000 0.938 312 K CB -0.283 32.220 32.500 0.004 0.000 0.737 312 K HN 0.297 nan 8.250 nan 0.000 0.458 313 S N 0.293 115.947 115.700 -0.076 0.000 2.341 313 S HA -0.059 4.405 4.470 -0.011 0.000 0.216 313 S C 1.504 176.077 174.600 -0.046 0.000 1.034 313 S CA 0.367 58.567 58.200 0.001 0.000 0.964 313 S CB -0.061 63.207 63.200 0.113 0.000 0.882 313 S HN 0.257 nan 8.310 nan 0.000 0.469 314 S N 0.893 116.560 115.700 -0.055 0.000 3.510 314 S HA -0.264 4.199 4.470 -0.011 0.000 0.538 314 S C 0.588 175.100 174.600 -0.147 0.000 0.917 314 S CA 1.892 60.027 58.200 -0.107 0.000 3.392 314 S CB -0.431 62.633 63.200 -0.227 0.000 2.355 314 S HN 0.498 nan 8.310 nan 0.000 0.519 325 N N 1.250 119.967 118.700 0.029 0.000 2.485 325 N HA 0.417 5.150 4.740 -0.011 0.000 0.243 325 N C 0.169 175.767 175.510 0.146 0.000 0.987 325 N CA -0.617 52.505 53.050 0.121 0.000 0.940 325 N CB 0.490 39.031 38.487 0.090 0.000 1.122 325 N HN 0.414 nan 8.380 nan 0.000 0.509 326 F N 0.646 120.705 119.950 0.181 0.000 2.816 326 F HA 0.000 4.521 4.527 -0.011 0.000 0.302 326 F C 1.616 177.493 175.800 0.129 0.000 1.178 326 F CA 0.179 58.276 58.000 0.162 0.000 1.421 326 F CB 0.207 39.180 39.000 -0.045 0.000 1.114 326 F HN 0.533 nan 8.300 nan 0.000 0.573 327 D N 0.340 120.883 120.400 0.239 0.000 2.218 327 D HA -0.134 4.500 4.640 -0.011 0.000 0.204 327 D C 2.125 178.514 176.300 0.149 0.000 0.976 327 D CA 1.205 55.301 54.000 0.160 0.000 0.853 327 D CB 0.054 40.925 40.800 0.117 0.000 0.939 327 D HN 0.322 nan 8.370 nan 0.000 0.481 328 A N -0.365 122.569 122.820 0.190 0.000 2.275 328 A HA 0.090 4.403 4.320 -0.011 0.000 0.212 328 A C 1.594 179.276 177.584 0.163 0.000 1.201 328 A CA -0.394 51.748 52.037 0.175 0.000 0.843 328 A CB -0.580 18.536 19.000 0.194 0.000 0.873 328 A HN 0.121 nan 8.150 nan 0.000 0.492 329 F N 1.993 121.879 119.950 -0.107 0.000 2.069 329 F HA -0.119 4.402 4.527 -0.011 0.000 0.298 329 F C -0.787 174.882 175.800 -0.220 0.000 1.113 329 F CA 2.415 60.133 58.000 -0.470 0.000 1.214 329 F CB -0.442 38.308 39.000 -0.416 0.000 0.978 329 F HN 0.201 nan 8.300 nan 0.000 0.474 330 P HA -0.093 nan 4.420 nan 0.000 0.230 330 P C 0.583 177.816 177.300 -0.111 0.000 1.158 330 P CA 1.357 64.392 63.100 -0.107 0.000 0.769 330 P CB -0.063 31.620 31.700 -0.029 0.000 0.807 331 D N -1.028 119.330 120.400 -0.069 0.000 2.348 331 D HA 0.001 4.634 4.640 -0.011 0.000 0.211 331 D C 1.514 177.789 176.300 -0.041 0.000 0.998 331 D CA 0.763 54.744 54.000 -0.032 0.000 0.873 331 D CB 0.212 41.018 40.800 0.010 0.000 0.925 331 D HN 0.109 nan 8.370 nan 0.000 0.524 332 K N -0.164 120.179 120.400 -0.094 0.000 2.412 332 K HA 0.210 4.524 4.320 -0.011 0.000 0.202 332 K C -0.060 176.444 176.600 -0.160 0.000 1.102 332 K CA 0.110 56.360 56.287 -0.062 0.000 1.027 332 K CB 2.372 34.941 32.500 0.116 0.000 0.931 332 K HN -0.081 nan 8.250 nan 0.000 0.557 333 V N 1.002 120.713 119.914 -0.339 0.000 2.709 333 V HA 0.660 4.773 4.120 -0.011 0.000 0.308 333 V C -1.128 174.857 176.094 -0.182 0.000 1.062 333 V CA -1.234 60.874 62.300 -0.319 0.000 0.901 333 V CB 1.864 33.189 31.823 -0.830 0.000 1.003 333 V HN 0.118 nan 8.190 nan 0.000 0.425 334 A N 5.497 128.280 122.820 -0.061 0.000 2.359 334 A HA 0.906 5.220 4.320 -0.011 0.000 0.303 334 A C -1.059 176.541 177.584 0.026 0.000 1.066 334 A CA -0.397 51.623 52.037 -0.028 0.000 0.730 334 A CB 0.989 19.900 19.000 -0.147 0.000 1.211 334 A HN 0.763 nan 8.150 nan 0.000 0.439 335 I N 2.090 122.725 120.570 0.109 0.000 2.382 335 I HA 0.275 4.438 4.170 -0.011 0.000 0.285 335 I C -0.248 175.969 176.117 0.167 0.000 1.007 335 I CA -0.507 60.878 61.300 0.143 0.000 1.142 335 I CB 1.853 39.922 38.000 0.116 0.000 1.289 335 I HN 0.700 nan 8.210 nan 0.000 0.453 336 Q N 6.879 126.782 119.800 0.171 0.000 2.303 336 Q HA 0.491 4.824 4.340 -0.011 0.000 0.257 336 Q C -1.265 174.762 176.000 0.045 0.000 0.941 336 Q CA -0.187 55.763 55.803 0.245 0.000 0.931 336 Q CB 1.154 30.183 28.738 0.485 0.000 1.215 336 Q HN 0.568 nan 8.270 nan 0.000 0.437 337 L N 3.795 125.077 121.223 0.097 0.000 2.260 337 L HA 0.393 4.726 4.340 -0.011 0.000 0.289 337 L C 0.135 177.037 176.870 0.053 0.000 1.057 337 L CA -0.729 54.147 54.840 0.060 0.000 0.811 337 L CB 0.677 42.820 42.059 0.139 0.000 1.184 337 L HN 0.558 nan 8.230 nan 0.000 0.429 338 N N 4.470 123.117 118.700 -0.089 0.000 2.605 338 N HA 0.065 4.799 4.740 -0.011 0.000 0.258 338 N C -0.223 175.305 175.510 0.031 0.000 1.156 338 N CA 0.521 53.568 53.050 -0.005 0.000 1.008 338 N CB -0.221 38.166 38.487 -0.167 0.000 1.354 338 N HN 0.649 nan 8.380 nan 0.000 0.509 339 D N -0.504 119.998 120.400 0.171 0.000 4.259 339 D HA -0.216 4.417 4.640 -0.011 0.000 0.290 339 D C 0.418 176.796 176.300 0.129 0.000 2.199 339 D CA 1.420 55.496 54.000 0.127 0.000 1.194 339 D CB -0.552 40.033 40.800 -0.359 0.000 1.003 339 D HN 0.469 nan 8.370 nan 0.000 1.204 340 T N -2.393 112.171 114.554 0.017 0.000 3.100 340 T HA 0.070 4.413 4.350 -0.011 0.000 0.253 340 T C 1.660 176.435 174.700 0.125 0.000 1.118 340 T CA 1.614 63.720 62.100 0.011 0.000 1.058 340 T CB -0.515 68.336 68.868 -0.030 0.000 0.953 340 T HN 0.509 nan 8.240 nan 0.000 0.515 341 H N 2.703 121.861 119.070 0.146 0.000 2.353 341 H HA -0.027 4.522 4.556 -0.011 0.000 0.298 341 H C -0.871 174.546 175.328 0.149 0.000 1.103 341 H CA 1.136 57.284 56.048 0.167 0.000 1.293 341 H CB -0.969 28.888 29.762 0.158 0.000 1.372 341 H HN 0.453 nan 8.280 nan 0.000 0.501 342 P HA 0.079 nan 4.420 nan 0.000 0.259 342 P C 0.799 178.146 177.300 0.078 0.000 1.530 342 P CA 0.347 63.527 63.100 0.134 0.000 1.022 342 P CB 0.394 32.160 31.700 0.110 0.000 1.514 343 S N -0.248 115.494 115.700 0.070 0.000 2.419 343 S HA -0.124 4.340 4.470 -0.011 0.000 0.233 343 S C 1.754 176.361 174.600 0.013 0.000 1.016 343 S CA 0.771 58.976 58.200 0.008 0.000 0.974 343 S CB -1.494 61.688 63.200 -0.030 0.000 0.786 343 S HN 0.137 nan 8.310 nan 0.000 0.492 344 L N 0.999 122.241 121.223 0.032 0.000 2.450 344 L HA -0.019 4.315 4.340 -0.011 0.000 0.224 344 L C 2.963 179.865 176.870 0.054 0.000 1.149 344 L CA 0.691 55.547 54.840 0.026 0.000 0.816 344 L CB -0.755 41.317 42.059 0.021 0.000 0.932 344 L HN 0.495 nan 8.230 nan 0.000 0.449 345 A N 0.451 123.288 122.820 0.028 0.000 1.978 345 A HA -0.205 4.109 4.320 -0.011 0.000 0.220 345 A C 2.164 179.754 177.584 0.010 0.000 1.170 345 A CA 1.496 53.537 52.037 0.007 0.000 0.636 345 A CB -0.455 18.543 19.000 -0.005 0.000 0.810 345 A HN 0.366 nan 8.150 nan 0.000 0.448 346 I N 0.280 120.858 120.570 0.015 0.000 2.090 346 I HA -0.144 4.020 4.170 -0.011 0.000 0.236 346 I C -0.371 175.774 176.117 0.047 0.000 1.064 346 I CA 1.576 62.885 61.300 0.016 0.000 1.324 346 I CB -0.928 37.086 38.000 0.023 0.000 1.044 346 I HN 0.236 nan 8.210 nan 0.000 0.399 347 P HA -0.176 nan 4.420 nan 0.000 0.223 347 P C 1.214 178.552 177.300 0.063 0.000 1.151 347 P CA 1.479 64.625 63.100 0.077 0.000 0.787 347 P CB 0.016 31.781 31.700 0.108 0.000 0.788 348 E N 0.016 120.306 120.200 0.149 0.000 2.158 348 E HA -0.112 4.232 4.350 -0.011 0.000 0.191 348 E C 1.843 178.441 176.600 -0.003 0.000 0.982 348 E CA 0.455 56.960 56.400 0.176 0.000 0.823 348 E CB -1.068 28.774 29.700 0.237 0.000 0.766 348 E HN 0.010 nan 8.360 nan 0.000 0.468 349 L N -0.098 121.092 121.223 -0.055 0.000 2.109 349 L HA -0.012 4.321 4.340 -0.011 0.000 0.207 349 L C 1.953 178.697 176.870 -0.209 0.000 1.086 349 L CA 1.540 56.294 54.840 -0.144 0.000 0.760 349 L CB -0.446 41.532 42.059 -0.135 0.000 0.910 349 L HN 0.204 nan 8.230 nan 0.000 0.437 350 M N -0.747 118.744 119.600 -0.183 0.000 2.099 350 M HA -0.186 4.287 4.480 -0.011 0.000 0.262 350 M C 2.427 178.573 176.300 -0.257 0.000 1.067 350 M CA 1.490 56.628 55.300 -0.270 0.000 1.124 350 M CB -1.149 31.275 32.600 -0.293 0.000 1.353 350 M HN 0.305 nan 8.290 nan 0.000 0.410 351 R N 0.029 120.402 120.500 -0.210 0.000 2.096 351 R HA -0.150 4.183 4.340 -0.011 0.000 0.240 351 R C 2.072 178.273 176.300 -0.164 0.000 1.139 351 R CA 1.790 57.766 56.100 -0.207 0.000 0.952 351 R CB -0.245 29.881 30.300 -0.290 0.000 0.854 351 R HN 0.201 nan 8.270 nan 0.000 0.436 352 V N 1.293 121.112 119.914 -0.159 0.000 2.295 352 V HA -0.251 3.863 4.120 -0.011 0.000 0.246 352 V C 2.412 178.353 176.094 -0.254 0.000 1.049 352 V CA 1.743 63.943 62.300 -0.167 0.000 1.024 352 V CB -0.380 31.345 31.823 -0.163 0.000 0.648 352 V HN 0.349 nan 8.190 nan 0.000 0.447 353 L N -0.704 120.311 121.223 -0.347 0.000 2.046 353 L HA -0.136 4.197 4.340 -0.011 0.000 0.208 353 L C 2.396 179.083 176.870 -0.306 0.000 1.077 353 L CA 1.183 55.751 54.840 -0.452 0.000 0.747 353 L CB -0.522 41.236 42.059 -0.501 0.000 0.896 353 L HN 0.202 nan 8.230 nan 0.000 0.432 354 V N -0.684 119.091 119.914 -0.233 0.000 2.379 354 V HA -0.186 3.927 4.120 -0.011 0.000 0.243 354 V C 1.980 178.027 176.094 -0.079 0.000 1.035 354 V CA 1.618 63.839 62.300 -0.132 0.000 1.035 354 V CB -0.308 31.458 31.823 -0.094 0.000 0.673 354 V HN 0.351 nan 8.190 nan 0.000 0.457 355 D N 0.100 120.449 120.400 -0.085 0.000 2.103 355 D HA -0.029 4.605 4.640 -0.011 0.000 0.199 355 D C 2.100 178.370 176.300 -0.051 0.000 0.978 355 D CA 1.283 55.251 54.000 -0.052 0.000 0.829 355 D CB -0.077 40.690 40.800 -0.055 0.000 0.981 355 D HN 0.300 nan 8.370 nan 0.000 0.464 356 L N 0.377 121.556 121.223 -0.074 0.000 2.145 356 L HA 0.065 4.399 4.340 -0.011 0.000 0.201 356 L C 1.973 178.805 176.870 -0.063 0.000 1.075 356 L CA 0.665 55.470 54.840 -0.058 0.000 0.773 356 L CB -0.221 41.804 42.059 -0.056 0.000 0.936 356 L HN -0.147 nan 8.230 nan 0.000 0.451 357 E N 0.650 120.774 120.200 -0.126 0.000 2.435 357 E HA -0.008 4.335 4.350 -0.011 0.000 0.195 357 E C 0.153 176.701 176.600 -0.087 0.000 1.029 357 E CA 0.011 56.333 56.400 -0.129 0.000 0.865 357 E CB 0.148 29.636 29.700 -0.353 0.000 0.833 357 E HN 0.255 nan 8.360 nan 0.000 0.510 358 R N -0.039 120.412 120.500 -0.081 0.000 3.423 358 R HA -0.197 4.137 4.340 -0.011 0.000 0.271 358 R C -0.500 175.777 176.300 -0.038 0.000 1.093 358 R CA 0.256 56.332 56.100 -0.040 0.000 0.730 358 R CB -2.531 27.766 30.300 -0.007 0.000 1.190 358 R HN 0.052 nan 8.270 nan 0.000 0.437 359 L N 1.821 122.992 121.223 -0.085 0.000 2.399 359 L HA 0.186 4.519 4.340 -0.011 0.000 0.266 359 L C 1.221 178.079 176.870 -0.021 0.000 1.114 359 L CA 0.028 54.829 54.840 -0.065 0.000 0.804 359 L CB 0.635 42.606 42.059 -0.146 0.000 1.146 359 L HN 0.133 nan 8.230 nan 0.000 0.451 360 D N 1.266 121.680 120.400 0.024 0.000 2.362 360 D HA -0.136 4.497 4.640 -0.011 0.000 0.242 360 D C 0.990 177.354 176.300 0.107 0.000 1.132 360 D CA -0.476 53.573 54.000 0.082 0.000 0.907 360 D CB 0.731 41.586 40.800 0.091 0.000 1.195 360 D HN 0.604 nan 8.370 nan 0.000 0.429 361 W N 2.717 124.021 121.300 0.006 0.000 2.285 361 W HA -0.280 4.373 4.660 -0.011 0.000 0.333 361 W C 1.269 177.833 176.519 0.075 0.000 1.290 361 W CA 2.170 59.527 57.345 0.019 0.000 1.234 361 W CB -0.501 28.951 29.460 -0.013 0.000 1.154 361 W HN 0.518 nan 8.180 nan 0.000 0.463 362 D N 0.109 120.730 120.400 0.368 0.000 2.149 362 D HA -0.238 4.395 4.640 -0.011 0.000 0.194 362 D C 2.037 178.440 176.300 0.171 0.000 1.001 362 D CA 1.699 55.877 54.000 0.297 0.000 0.849 362 D CB -0.469 40.475 40.800 0.241 0.000 0.939 362 D HN 0.136 nan 8.370 nan 0.000 0.449 363 K N 0.833 121.292 120.400 0.098 0.000 2.057 363 K HA -0.015 4.299 4.320 -0.011 0.000 0.206 363 K C 2.016 178.610 176.600 -0.009 0.000 1.050 363 K CA 0.854 57.172 56.287 0.052 0.000 0.935 363 K CB -0.206 32.320 32.500 0.043 0.000 0.715 363 K HN 0.033 nan 8.250 nan 0.000 0.439 364 A N 0.772 123.543 122.820 -0.082 0.000 1.902 364 A HA -0.185 4.129 4.320 -0.011 0.000 0.217 364 A C 2.094 179.587 177.584 -0.150 0.000 1.181 364 A CA 1.211 53.133 52.037 -0.192 0.000 0.623 364 A CB -0.999 17.813 19.000 -0.313 0.000 0.818 364 A HN 0.642 nan 8.150 nan 0.000 0.443 365 W N 0.646 121.737 121.300 -0.349 0.000 2.388 365 W HA -0.136 4.517 4.660 -0.011 0.000 0.294 365 W C 1.932 178.400 176.519 -0.086 0.000 1.212 365 W CA 1.692 58.887 57.345 -0.251 0.000 1.271 365 W CB -0.080 29.273 29.460 -0.179 0.000 1.126 365 W HN 0.573 nan 8.180 nan 0.000 0.535 366 E N 0.141 120.342 120.200 0.001 0.000 2.058 366 E HA -0.226 4.117 4.350 -0.011 0.000 0.194 366 E C 2.058 178.585 176.600 -0.123 0.000 0.997 366 E CA 1.936 58.300 56.400 -0.060 0.000 0.801 366 E CB -0.277 29.444 29.700 0.034 0.000 0.746 366 E HN 0.068 nan 8.360 nan 0.000 0.450 367 V N 0.667 120.528 119.914 -0.088 0.000 2.261 367 V HA -0.279 3.834 4.120 -0.011 0.000 0.246 367 V C 2.435 178.473 176.094 -0.094 0.000 1.047 367 V CA 2.245 64.514 62.300 -0.053 0.000 1.015 367 V CB -0.899 30.893 31.823 -0.052 0.000 0.642 367 V HN 0.363 nan 8.190 nan 0.000 0.446 368 T N 0.154 114.587 114.554 -0.202 0.000 2.635 368 T HA -0.216 4.128 4.350 -0.011 0.000 0.267 368 T C 1.937 176.466 174.700 -0.286 0.000 1.040 368 T CA 1.936 63.892 62.100 -0.241 0.000 1.156 368 T CB -0.388 68.286 68.868 -0.324 0.000 0.863 368 T HN 0.259 nan 8.240 nan 0.000 0.430 369 V N 1.222 120.830 119.914 -0.510 0.000 2.332 369 V HA -0.192 3.921 4.120 -0.011 0.000 0.248 369 V C 2.396 178.430 176.094 -0.101 0.000 1.055 369 V CA 1.695 63.749 62.300 -0.410 0.000 1.038 369 V CB -0.494 30.997 31.823 -0.554 0.000 0.651 369 V HN 0.446 nan 8.190 nan 0.000 0.450 370 K N -0.376 119.951 120.400 -0.121 0.000 2.362 370 K HA -0.116 4.198 4.320 -0.011 0.000 0.200 370 K C 2.139 178.684 176.600 -0.092 0.000 1.046 370 K CA 1.557 57.757 56.287 -0.144 0.000 0.952 370 K CB -0.150 32.274 32.500 -0.127 0.000 0.753 370 K HN 0.651 nan 8.250 nan 0.000 0.466 371 T N -2.002 112.572 114.554 0.033 0.000 3.014 371 T HA 0.095 4.438 4.350 -0.011 0.000 0.250 371 T C 0.588 175.395 174.700 0.179 0.000 1.060 371 T CA -0.314 61.841 62.100 0.092 0.000 1.040 371 T CB 0.015 68.948 68.868 0.108 0.000 0.971 371 T HN 0.011 nan 8.240 nan 0.000 0.497 372 C N 2.625 122.024 119.300 0.165 0.000 2.365 372 C HA 0.918 5.371 4.460 -0.011 0.000 0.351 372 C C 0.535 175.605 174.990 0.134 0.000 1.240 372 C CA -0.768 58.331 59.018 0.134 0.000 2.062 372 C CB 0.225 27.980 27.740 0.026 0.000 2.387 372 C HN 0.740 nan 8.230 nan 0.000 0.537 373 A N 2.423 125.316 122.820 0.122 0.000 2.455 373 A HA 0.727 5.040 4.320 -0.011 0.000 0.300 373 A C -1.513 176.161 177.584 0.150 0.000 1.040 373 A CA -0.401 51.661 52.037 0.041 0.000 0.697 373 A CB 0.950 20.014 19.000 0.106 0.000 1.265 373 A HN 0.930 nan 8.150 nan 0.000 0.407 374 Y N 1.307 121.569 120.300 -0.063 0.000 2.393 374 Y HA 0.661 5.205 4.550 -0.011 0.000 0.341 374 Y C -0.456 175.436 175.900 -0.013 0.000 0.988 374 Y CA -0.320 57.754 58.100 -0.043 0.000 1.078 374 Y CB 2.069 40.459 38.460 -0.116 0.000 1.203 374 Y HN 0.560 nan 8.280 nan 0.000 0.453 375 T N 6.509 120.811 114.554 -0.419 0.000 2.770 375 T HA 0.196 4.539 4.350 -0.011 0.000 0.283 375 T C -0.844 173.384 174.700 -0.788 0.000 0.988 375 T CA -0.836 60.970 62.100 -0.491 0.000 0.957 375 T CB 0.443 69.271 68.868 -0.067 0.000 0.930 375 T HN 0.653 nan 8.240 nan 0.000 0.443 376 N N 1.749 120.007 118.700 -0.735 0.000 2.456 376 N HA 0.147 4.880 4.740 -0.011 0.000 0.288 376 N C 0.022 175.386 175.510 -0.245 0.000 1.059 376 N CA -0.354 52.499 53.050 -0.328 0.000 0.946 376 N CB 0.800 39.278 38.487 -0.015 0.000 1.150 376 N HN 0.678 nan 8.380 nan 0.000 0.479 377 H N 0.917 120.011 119.070 0.040 0.000 2.893 377 H HA 0.169 4.719 4.556 -0.011 0.000 0.270 377 H C -0.175 175.061 175.328 -0.154 0.000 1.095 377 H CA -0.025 55.983 56.048 -0.065 0.000 1.186 377 H CB 1.195 30.931 29.762 -0.044 0.000 1.562 377 H HN 0.528 nan 8.280 nan 0.000 0.536 378 T N 0.197 114.777 114.554 0.044 0.000 2.827 378 T HA 0.225 4.568 4.350 -0.011 0.000 0.328 378 T C 0.309 175.036 174.700 0.046 0.000 1.598 378 T CA -0.304 61.777 62.100 -0.032 0.000 1.043 378 T CB 1.255 70.080 68.868 -0.071 0.000 1.447 378 T HN -0.051 nan 8.240 nan 0.000 0.491 379 V N 1.440 121.343 119.914 -0.018 0.000 3.556 379 V HA 0.499 4.613 4.120 -0.011 0.000 0.287 379 V C 0.968 177.029 176.094 -0.056 0.000 1.422 379 V CA 0.000 62.276 62.300 -0.041 0.000 1.038 379 V CB -0.683 31.111 31.823 -0.048 0.000 0.850 379 V HN 0.801 nan 8.190 nan 0.000 0.437 380 I N 0.053 120.580 120.570 -0.071 0.000 2.598 380 I HA 0.279 4.443 4.170 -0.011 0.000 0.284 380 I C -0.662 175.455 176.117 -0.000 0.000 1.140 380 I CA -1.540 59.742 61.300 -0.030 0.000 1.420 380 I CB 0.465 38.436 38.000 -0.048 0.000 1.387 380 I HN -0.023 nan 8.210 nan 0.000 0.553 381 P HA -0.242 nan 4.420 nan 0.000 0.215 381 P C 1.189 178.505 177.300 0.027 0.000 1.153 381 P CA 1.586 64.697 63.100 0.019 0.000 0.853 381 P CB -0.093 31.628 31.700 0.034 0.000 0.788 382 E N 0.601 120.862 120.200 0.102 0.000 2.333 382 E HA -0.123 4.220 4.350 -0.011 0.000 0.198 382 E C 1.738 178.362 176.600 0.039 0.000 1.007 382 E CA 1.445 57.939 56.400 0.157 0.000 0.845 382 E CB -0.888 29.072 29.700 0.433 0.000 0.766 382 E HN 0.233 nan 8.360 nan 0.000 0.507 383 A N 1.353 124.195 122.820 0.035 0.000 2.081 383 A HA 0.172 4.485 4.320 -0.011 0.000 0.214 383 A C 1.416 178.965 177.584 -0.058 0.000 1.158 383 A CA -0.246 51.808 52.037 0.027 0.000 0.724 383 A CB -0.031 18.997 19.000 0.047 0.000 0.826 383 A HN 0.149 nan 8.150 nan 0.000 0.463 384 L N 1.728 122.878 121.223 -0.122 0.000 2.525 384 L HA 0.031 4.365 4.340 -0.011 0.000 0.278 384 L C 0.013 176.514 176.870 -0.615 0.000 1.218 384 L CA 0.619 55.322 54.840 -0.227 0.000 0.878 384 L CB 0.094 42.054 42.059 -0.164 0.000 1.127 384 L HN 0.446 nan 8.230 nan 0.000 0.492 385 E N 4.310 124.087 120.200 -0.704 0.000 2.180 385 E HA 0.231 4.574 4.350 -0.011 0.000 0.283 385 E C -0.491 175.472 176.600 -1.061 0.000 1.061 385 E CA -0.250 55.316 56.400 -1.391 0.000 0.861 385 E CB 0.737 29.999 29.700 -0.731 0.000 1.056 385 E HN 0.351 nan 8.360 nan 0.000 0.407 386 R N 3.545 123.254 120.500 -1.318 0.000 2.487 386 R HA 0.182 4.515 4.340 -0.011 0.000 0.288 386 R C -1.309 174.842 176.300 -0.249 0.000 1.394 386 R CA -0.516 55.275 56.100 -0.515 0.000 1.155 386 R CB 0.708 30.817 30.300 -0.318 0.000 1.156 386 R HN 0.465 nan 8.270 nan 0.000 0.553 387 W N 4.495 125.761 121.300 -0.057 0.000 2.303 387 W HA 0.214 4.867 4.660 -0.011 0.000 0.318 387 W C -1.824 174.679 176.519 -0.027 0.000 1.362 387 W CA -1.943 55.428 57.345 0.045 0.000 1.234 387 W CB 0.522 29.980 29.460 -0.005 0.000 1.248 387 W HN 0.245 nan 8.180 nan 0.000 0.546 388 P HA -0.089 nan 4.420 nan 0.000 0.265 388 P C 0.753 178.013 177.300 -0.068 0.000 1.193 388 P CA 0.172 63.271 63.100 -0.002 0.000 0.765 388 P CB 0.796 32.335 31.700 -0.268 0.000 0.823 389 V N 3.050 122.979 119.914 0.027 0.000 2.490 389 V HA -0.267 3.847 4.120 -0.011 0.000 0.250 389 V C 2.091 178.203 176.094 0.029 0.000 1.061 389 V CA 2.416 64.741 62.300 0.041 0.000 1.064 389 V CB -1.708 30.200 31.823 0.141 0.000 0.670 389 V HN 0.760 nan 8.190 nan 0.000 0.461 390 H N -1.796 117.326 119.070 0.086 0.000 2.489 390 H HA -0.103 4.446 4.556 -0.011 0.000 0.293 390 H C 1.897 177.263 175.328 0.064 0.000 1.066 390 H CA 1.394 57.487 56.048 0.074 0.000 1.305 390 H CB -0.336 29.472 29.762 0.077 0.000 1.386 390 H HN 0.330 nan 8.280 nan 0.000 0.551 391 L N 0.380 121.429 121.223 -0.289 0.000 2.068 391 L HA 0.036 4.370 4.340 -0.011 0.000 0.204 391 L C 2.272 179.067 176.870 -0.125 0.000 1.076 391 L CA 1.180 55.930 54.840 -0.150 0.000 0.753 391 L CB -0.599 41.359 42.059 -0.169 0.000 0.910 391 L HN 0.367 nan 8.230 nan 0.000 0.439 392 L N -1.002 120.126 121.223 -0.158 0.000 2.141 392 L HA -0.210 4.123 4.340 -0.011 0.000 0.209 392 L C 2.459 179.244 176.870 -0.143 0.000 1.094 392 L CA 1.072 55.792 54.840 -0.200 0.000 0.763 392 L CB -0.395 41.539 42.059 -0.208 0.000 0.908 392 L HN 0.367 nan 8.230 nan 0.000 0.437 393 E N -0.473 119.688 120.200 -0.064 0.000 2.077 393 E HA -0.201 4.142 4.350 -0.011 0.000 0.193 393 E C 1.983 178.600 176.600 0.029 0.000 0.989 393 E CA 1.836 58.231 56.400 -0.008 0.000 0.800 393 E CB 0.142 29.880 29.700 0.063 0.000 0.746 393 E HN 0.423 nan 8.360 nan 0.000 0.452 394 T N 0.799 115.392 114.554 0.065 0.000 2.809 394 T HA -0.094 4.249 4.350 -0.011 0.000 0.260 394 T C 1.749 176.540 174.700 0.151 0.000 1.039 394 T CA 0.687 62.876 62.100 0.149 0.000 1.141 394 T CB -0.117 68.871 68.868 0.201 0.000 0.869 394 T HN 0.049 nan 8.240 nan 0.000 0.437 395 L N -0.030 121.173 121.223 -0.033 0.000 2.127 395 L HA 0.330 4.663 4.340 -0.011 0.000 0.203 395 L C 0.307 177.083 176.870 -0.157 0.000 1.080 395 L CA 1.536 56.230 54.840 -0.244 0.000 0.768 395 L CB 0.054 41.934 42.059 -0.298 0.000 0.924 395 L HN 0.173 nan 8.230 nan 0.000 0.444 396 L N 0.496 121.587 121.223 -0.221 0.000 2.551 396 L HA 0.299 4.632 4.340 -0.011 0.000 0.248 396 L C -1.687 174.972 176.870 -0.352 0.000 1.509 396 L CA -1.031 53.589 54.840 -0.368 0.000 0.842 396 L CB 0.895 42.587 42.059 -0.611 0.000 1.087 396 L HN -0.083 nan 8.230 nan 0.000 0.512 397 P HA -0.230 nan 4.420 nan 0.000 0.216 397 P C 1.499 178.584 177.300 -0.358 0.000 1.153 397 P CA 1.333 64.285 63.100 -0.247 0.000 0.858 397 P CB 0.362 31.990 31.700 -0.120 0.000 0.789 398 R N -0.527 119.580 120.500 -0.656 0.000 2.092 398 R HA -0.139 4.194 4.340 -0.011 0.000 0.231 398 R C 2.337 178.312 176.300 -0.542 0.000 1.119 398 R CA 1.496 57.227 56.100 -0.617 0.000 0.970 398 R CB -1.276 28.501 30.300 -0.872 0.000 0.864 398 R HN 0.235 nan 8.270 nan 0.000 0.440 399 H N -0.352 118.399 119.070 -0.531 0.000 2.389 399 H HA -0.032 4.518 4.556 -0.011 0.000 0.299 399 H C 1.759 176.904 175.328 -0.305 0.000 1.081 399 H CA 1.574 57.394 56.048 -0.380 0.000 1.345 399 H CB -0.025 29.474 29.762 -0.439 0.000 1.393 399 H HN 0.100 nan 8.280 nan 0.000 0.520 400 L N 0.449 121.529 121.223 -0.240 0.000 2.046 400 L HA -0.232 4.101 4.340 -0.011 0.000 0.208 400 L C 1.795 178.442 176.870 -0.372 0.000 1.077 400 L CA 1.584 56.206 54.840 -0.364 0.000 0.747 400 L CB -0.259 41.598 42.059 -0.336 0.000 0.896 400 L HN 0.429 nan 8.230 nan 0.000 0.432 401 Q N -0.426 119.267 119.800 -0.178 0.000 2.124 401 Q HA -0.207 4.126 4.340 -0.011 0.000 0.202 401 Q C 2.158 178.164 176.000 0.009 0.000 0.977 401 Q CA 1.448 57.240 55.803 -0.018 0.000 0.850 401 Q CB 0.017 28.757 28.738 0.003 0.000 0.901 401 Q HN 0.544 nan 8.270 nan 0.000 0.429 402 I N 0.118 120.673 120.570 -0.025 0.000 2.353 402 I HA -0.236 3.928 4.170 -0.011 0.000 0.248 402 I C 1.979 178.169 176.117 0.122 0.000 1.119 402 I CA 0.858 62.229 61.300 0.119 0.000 1.417 402 I CB 0.013 38.036 38.000 0.039 0.000 1.078 402 I HN 0.183 nan 8.210 nan 0.000 0.421 403 I N -0.600 119.962 120.570 -0.014 0.000 2.315 403 I HA -0.303 3.861 4.170 -0.011 0.000 0.248 403 I C 2.285 178.430 176.117 0.047 0.000 1.117 403 I CA 1.279 62.566 61.300 -0.022 0.000 1.404 403 I CB -0.328 37.589 38.000 -0.138 0.000 1.071 403 I HN 0.163 nan 8.210 nan 0.000 0.419 404 Y N 0.876 121.175 120.300 -0.001 0.000 2.181 404 Y HA -0.254 4.289 4.550 -0.011 0.000 0.288 404 Y C 2.604 178.463 175.900 -0.068 0.000 1.146 404 Y CA 1.441 59.527 58.100 -0.024 0.000 1.164 404 Y CB -0.773 37.666 38.460 -0.034 0.000 0.982 404 Y HN 0.195 nan 8.280 nan 0.000 0.515 405 E N 0.421 120.652 120.200 0.052 0.000 2.106 405 E HA -0.140 4.203 4.350 -0.011 0.000 0.192 405 E C 2.066 178.562 176.600 -0.172 0.000 0.984 405 E CA 1.226 57.509 56.400 -0.195 0.000 0.806 405 E CB -0.565 28.854 29.700 -0.467 0.000 0.750 405 E HN 0.479 nan 8.360 nan 0.000 0.458 406 I N 0.571 121.146 120.570 0.010 0.000 2.179 406 I HA -0.273 3.890 4.170 -0.011 0.000 0.242 406 I C 2.270 178.384 176.117 -0.006 0.000 1.088 406 I CA 1.357 62.625 61.300 -0.052 0.000 1.357 406 I CB -0.375 37.602 38.000 -0.039 0.000 1.051 406 I HN 0.209 nan 8.210 nan 0.000 0.409 407 N N 0.703 119.450 118.700 0.079 0.000 2.069 407 N HA -0.261 4.473 4.740 -0.011 0.000 0.191 407 N C 1.865 177.456 175.510 0.136 0.000 1.031 407 N CA 1.630 54.777 53.050 0.162 0.000 0.852 407 N CB -0.111 38.489 38.487 0.189 0.000 1.018 407 N HN 0.264 nan 8.380 nan 0.000 0.423 408 Q N -0.171 119.651 119.800 0.037 0.000 2.014 408 Q HA -0.144 4.190 4.340 -0.011 0.000 0.207 408 Q C 2.098 178.078 176.000 -0.034 0.000 0.993 408 Q CA 1.772 57.560 55.803 -0.025 0.000 0.850 408 Q CB -0.025 28.652 28.738 -0.102 0.000 0.916 408 Q HN 0.411 nan 8.270 nan 0.000 0.417 409 R N -0.781 119.675 120.500 -0.074 0.000 2.096 409 R HA -0.142 4.191 4.340 -0.011 0.000 0.235 409 R C 2.164 178.482 176.300 0.031 0.000 1.127 409 R CA 1.196 57.253 56.100 -0.072 0.000 0.968 409 R CB -0.408 29.796 30.300 -0.160 0.000 0.861 409 R HN 0.271 nan 8.270 nan 0.000 0.440 410 F N 1.694 121.617 119.950 -0.045 0.000 2.084 410 F HA -0.076 4.444 4.527 -0.011 0.000 0.296 410 F C 1.975 177.799 175.800 0.040 0.000 1.111 410 F CA 1.252 59.275 58.000 0.037 0.000 1.224 410 F CB -0.281 38.772 39.000 0.088 0.000 0.991 410 F HN -0.141 nan 8.300 nan 0.000 0.471 411 L N 0.099 121.332 121.223 0.016 0.000 2.191 411 L HA -0.244 4.089 4.340 -0.011 0.000 0.212 411 L C 1.910 178.712 176.870 -0.113 0.000 1.103 411 L CA 1.521 56.312 54.840 -0.081 0.000 0.769 411 L CB -0.850 41.229 42.059 0.033 0.000 0.908 411 L HN 0.287 nan 8.230 nan 0.000 0.438 412 N N -0.431 118.219 118.700 -0.084 0.000 2.331 412 N HA -0.137 4.596 4.740 -0.011 0.000 0.180 412 N C 1.920 177.372 175.510 -0.097 0.000 1.019 412 N CA 0.452 53.456 53.050 -0.077 0.000 0.881 412 N CB 0.100 38.549 38.487 -0.063 0.000 0.972 412 N HN 0.233 nan 8.380 nan 0.000 0.435 413 R N 0.371 120.786 120.500 -0.141 0.000 2.093 413 R HA 0.015 4.348 4.340 -0.011 0.000 0.224 413 R C 2.028 178.218 176.300 -0.184 0.000 1.101 413 R CA 0.614 56.626 56.100 -0.147 0.000 0.979 413 R CB 0.019 30.230 30.300 -0.150 0.000 0.877 413 R HN 0.029 nan 8.270 nan 0.000 0.441 414 V N 0.551 120.309 119.914 -0.260 0.000 2.307 414 V HA -0.196 3.917 4.120 -0.011 0.000 0.245 414 V C 2.317 178.410 176.094 -0.002 0.000 1.045 414 V CA 1.934 64.154 62.300 -0.132 0.000 1.024 414 V CB -0.631 31.057 31.823 -0.226 0.000 0.651 414 V HN 0.422 nan 8.190 nan 0.000 0.449 415 A N 0.062 122.853 122.820 -0.047 0.000 1.933 415 A HA -0.106 4.207 4.320 -0.011 0.000 0.218 415 A C 2.352 179.914 177.584 -0.037 0.000 1.175 415 A CA 2.042 54.069 52.037 -0.018 0.000 0.628 415 A CB -0.654 18.326 19.000 -0.034 0.000 0.814 415 A HN 0.580 nan 8.150 nan 0.000 0.444 416 A N -0.769 122.007 122.820 -0.074 0.000 2.014 416 A HA 0.344 4.657 4.320 -0.011 0.000 0.218 416 A C 2.281 179.773 177.584 -0.154 0.000 1.163 416 A CA 1.610 53.592 52.037 -0.093 0.000 0.652 416 A CB -0.534 18.415 19.000 -0.085 0.000 0.808 416 A HN 0.939 nan 8.150 nan 0.000 0.449 417 A N -1.656 121.022 122.820 -0.237 0.000 2.044 417 A HA 0.454 4.767 4.320 -0.011 0.000 0.213 417 A C 0.322 177.443 177.584 -0.773 0.000 1.169 417 A CA 0.369 52.091 52.037 -0.525 0.000 0.724 417 A CB -0.019 18.572 19.000 -0.683 0.000 0.840 417 A HN 0.397 nan 8.150 nan 0.000 0.463 418 F N 0.197 120.102 119.950 -0.075 0.000 2.622 418 F HA 0.350 4.871 4.527 -0.011 0.000 0.338 418 F C -2.822 172.943 175.800 -0.058 0.000 1.334 418 F CA -2.874 55.087 58.000 -0.065 0.000 1.179 418 F CB 0.782 39.736 39.000 -0.076 0.000 1.471 418 F HN -0.080 nan 8.300 nan 0.000 0.576 419 P HA 0.180 nan 4.420 nan 0.000 0.264 419 P C 1.023 178.345 177.300 0.036 0.000 1.193 419 P CA 1.034 64.147 63.100 0.022 0.000 0.763 419 P CB 0.859 32.553 31.700 -0.009 0.000 0.810 420 G N 2.686 111.500 108.800 0.023 0.000 2.205 420 G HA2 -0.251 3.703 3.960 -0.011 0.000 0.261 420 G HA3 -0.251 3.703 3.960 -0.011 0.000 0.261 420 G C 0.396 175.307 174.900 0.019 0.000 0.980 420 G CA 0.030 45.140 45.100 0.016 0.000 0.632 420 G HN 0.590 nan 8.290 nan 0.000 0.533 421 D N 1.011 121.432 120.400 0.035 0.000 2.608 421 D HA 0.369 5.003 4.640 -0.011 0.000 0.224 421 D C 1.671 177.963 176.300 -0.013 0.000 1.123 421 D CA 0.434 54.439 54.000 0.008 0.000 1.030 421 D CB 0.476 41.277 40.800 0.001 0.000 1.093 421 D HN 0.159 nan 8.370 nan 0.000 0.497 422 V N 2.620 122.528 119.914 -0.010 0.000 2.469 422 V HA -0.246 3.868 4.120 -0.011 0.000 0.251 422 V C 1.669 177.753 176.094 -0.017 0.000 1.064 422 V CA 2.137 64.430 62.300 -0.011 0.000 1.066 422 V CB -0.049 31.770 31.823 -0.007 0.000 0.667 422 V HN 0.369 nan 8.190 nan 0.000 0.461 423 D N -0.752 119.633 120.400 -0.025 0.000 2.183 423 D HA -0.162 4.471 4.640 -0.011 0.000 0.203 423 D C 2.352 178.625 176.300 -0.046 0.000 0.969 423 D CA 1.032 55.016 54.000 -0.027 0.000 0.842 423 D CB -0.190 40.594 40.800 -0.027 0.000 0.957 423 D HN 0.394 nan 8.370 nan 0.000 0.484 424 R N -0.287 120.161 120.500 -0.087 0.000 2.115 424 R HA -0.108 4.225 4.340 -0.011 0.000 0.230 424 R C 1.734 177.970 176.300 -0.107 0.000 1.111 424 R CA 0.677 56.689 56.100 -0.147 0.000 0.976 424 R CB -0.155 29.986 30.300 -0.265 0.000 0.870 424 R HN 0.165 nan 8.270 nan 0.000 0.445 425 L N 1.401 122.588 121.223 -0.061 0.000 2.042 425 L HA -0.180 4.153 4.340 -0.011 0.000 0.210 425 L C 2.491 179.371 176.870 0.016 0.000 1.076 425 L CA 2.013 56.837 54.840 -0.027 0.000 0.749 425 L CB -0.739 41.312 42.059 -0.013 0.000 0.893 425 L HN 0.293 nan 8.230 nan 0.000 0.432 426 R N -1.326 119.187 120.500 0.021 0.000 2.115 426 R HA -0.040 4.294 4.340 -0.011 0.000 0.226 426 R C 2.184 178.539 176.300 0.092 0.000 1.100 426 R CA 0.848 56.982 56.100 0.056 0.000 0.980 426 R CB -0.540 29.786 30.300 0.043 0.000 0.875 426 R HN 0.169 nan 8.270 nan 0.000 0.445 427 R N 0.279 120.817 120.500 0.063 0.000 2.090 427 R HA 0.108 4.441 4.340 -0.011 0.000 0.228 427 R C 2.054 178.452 176.300 0.163 0.000 1.110 427 R CA 1.636 57.799 56.100 0.104 0.000 0.973 427 R CB -0.151 30.168 30.300 0.032 0.000 0.869 427 R HN 0.299 nan 8.270 nan 0.000 0.440 428 M N 0.122 119.745 119.600 0.038 0.000 2.514 428 M HA 0.025 4.498 4.480 -0.011 0.000 0.258 428 M C 0.876 177.357 176.300 0.302 0.000 1.119 428 M CA 0.081 55.368 55.300 -0.022 0.000 1.111 428 M CB 0.394 32.837 32.600 -0.262 0.000 1.390 428 M HN -0.068 nan 8.290 nan 0.000 0.475 429 S N 0.788 116.666 115.700 0.297 0.000 2.558 429 S HA 0.031 4.495 4.470 -0.011 0.000 0.287 429 S C 1.095 175.960 174.600 0.442 0.000 1.321 429 S CA -0.152 58.245 58.200 0.329 0.000 1.048 429 S CB 0.539 63.868 63.200 0.215 0.000 0.844 429 S HN 0.350 nan 8.310 nan 0.000 0.512 430 L N 3.654 125.077 121.223 0.333 0.000 2.418 430 L HA 0.145 4.479 4.340 -0.011 0.000 0.218 430 L C 0.081 177.050 176.870 0.165 0.000 1.125 430 L CA 0.202 55.191 54.840 0.249 0.000 0.835 430 L CB -0.238 41.915 42.059 0.156 0.000 0.953 430 L HN 0.370 nan 8.230 nan 0.000 0.454 431 V N 0.654 120.682 119.914 0.192 0.000 2.370 431 V HA 0.200 4.313 4.120 -0.011 0.000 0.279 431 V C 0.014 176.190 176.094 0.137 0.000 1.029 431 V CA -0.646 61.756 62.300 0.171 0.000 0.870 431 V CB 1.521 33.480 31.823 0.227 0.000 0.984 431 V HN 0.156 nan 8.190 nan 0.000 0.451 432 E N 3.146 123.406 120.200 0.101 0.000 2.174 432 E HA 0.410 4.754 4.350 -0.011 0.000 0.282 432 E C -0.580 176.069 176.600 0.083 0.000 0.992 432 E CA -0.500 55.950 56.400 0.083 0.000 0.803 432 E CB 2.012 31.741 29.700 0.048 0.000 1.090 432 E HN 0.631 nan 8.360 nan 0.000 0.396 433 E N 0.863 121.108 120.200 0.075 0.000 2.359 433 E HA 0.613 4.957 4.350 -0.011 0.000 0.255 433 E C 0.254 176.890 176.600 0.060 0.000 1.191 433 E CA 0.553 56.992 56.400 0.066 0.000 0.952 433 E CB 1.162 30.894 29.700 0.054 0.000 1.152 433 E HN 0.640 nan 8.360 nan 0.000 0.496 434 G N -0.790 108.043 108.800 0.055 0.000 2.318 434 G HA2 0.152 4.106 3.960 -0.011 0.000 0.367 434 G HA3 0.152 4.106 3.960 -0.011 0.000 0.367 434 G C 0.617 175.550 174.900 0.055 0.000 1.260 434 G CA 0.216 45.346 45.100 0.051 0.000 1.055 434 G HN 0.730 nan 8.290 nan 0.000 0.484 435 A N -0.867 121.986 122.820 0.054 0.000 1.879 435 A HA 0.207 4.520 4.320 -0.011 0.000 0.222 435 A C 1.968 179.593 177.584 0.068 0.000 1.368 435 A CA 4.882 56.952 52.037 0.055 0.000 0.707 435 A CB -1.250 17.785 19.000 0.058 0.000 0.846 435 A HN 2.511 nan 8.150 nan 0.000 0.468 436 V N -2.634 117.333 119.914 0.088 0.000 2.656 436 V HA 0.576 4.690 4.120 -0.011 0.000 0.307 436 V C -0.529 175.638 176.094 0.121 0.000 1.051 436 V CA -1.314 61.059 62.300 0.121 0.000 0.893 436 V CB 1.716 33.642 31.823 0.172 0.000 0.999 436 V HN 0.401 nan 8.190 nan 0.000 0.426 437 K N 4.319 124.800 120.400 0.134 0.000 2.382 437 K HA 0.481 4.795 4.320 -0.011 0.000 0.275 437 K C -0.408 176.269 176.600 0.129 0.000 1.009 437 K CA -0.148 56.216 56.287 0.128 0.000 0.970 437 K CB 0.929 33.517 32.500 0.146 0.000 0.934 437 K HN 0.745 nan 8.250 nan 0.000 0.479 438 R N 1.305 121.868 120.500 0.104 0.000 2.836 438 R HA 0.493 4.827 4.340 -0.011 0.000 0.269 438 R C -0.655 175.688 176.300 0.071 0.000 1.010 438 R CA -0.995 55.156 56.100 0.085 0.000 0.930 438 R CB 1.309 31.639 30.300 0.049 0.000 1.218 438 R HN 0.365 nan 8.270 nan 0.000 0.473 439 I N 1.884 122.492 120.570 0.063 0.000 2.339 439 I HA 0.170 4.333 4.170 -0.011 0.000 0.290 439 I C -0.287 175.816 176.117 -0.023 0.000 0.994 439 I CA -0.739 60.584 61.300 0.038 0.000 1.191 439 I CB 1.285 39.306 38.000 0.035 0.000 1.343 439 I HN 0.513 nan 8.210 nan 0.000 0.458 440 N N 7.172 125.820 118.700 -0.085 0.000 2.415 440 N HA 0.077 4.811 4.740 -0.011 0.000 0.250 440 N C 0.886 176.290 175.510 -0.177 0.000 1.127 440 N CA -0.338 52.577 53.050 -0.225 0.000 0.945 440 N CB 0.894 39.091 38.487 -0.483 0.000 1.196 440 N HN 0.375 nan 8.380 nan 0.000 0.499 441 M N 2.325 121.834 119.600 -0.152 0.000 2.279 441 M HA -0.098 4.375 4.480 -0.011 0.000 0.264 441 M C 1.902 178.063 176.300 -0.231 0.000 1.062 441 M CA 0.812 56.040 55.300 -0.120 0.000 1.099 441 M CB -1.529 31.048 32.600 -0.040 0.000 1.394 441 M HN 0.599 nan 8.290 nan 0.000 0.426 442 A N -0.896 121.777 122.820 -0.244 0.000 1.929 442 A HA -0.148 4.165 4.320 -0.011 0.000 0.216 442 A C 1.973 179.333 177.584 -0.374 0.000 1.176 442 A CA 1.255 53.099 52.037 -0.322 0.000 0.628 442 A CB -1.029 17.963 19.000 -0.012 0.000 0.816 442 A HN 0.599 nan 8.150 nan 0.000 0.444 443 H N -1.113 117.736 119.070 -0.367 0.000 2.428 443 H HA 0.021 4.571 4.556 -0.011 0.000 0.296 443 H C 2.087 177.191 175.328 -0.373 0.000 1.062 443 H CA 0.820 56.611 56.048 -0.428 0.000 1.350 443 H CB 0.014 29.729 29.762 -0.078 0.000 1.403 443 H HN 0.364 nan 8.280 nan 0.000 0.533 444 L N 0.381 121.519 121.223 -0.142 0.000 2.017 444 L HA -0.216 4.117 4.340 -0.011 0.000 0.208 444 L C 2.186 178.931 176.870 -0.208 0.000 1.073 444 L CA 1.294 56.056 54.840 -0.130 0.000 0.745 444 L CB -0.405 41.603 42.059 -0.085 0.000 0.894 444 L HN 0.434 nan 8.230 nan 0.000 0.432 445 C N 0.011 119.083 119.300 -0.379 0.000 2.425 445 C HA -0.157 4.297 4.460 -0.011 0.000 0.277 445 C C 2.679 177.424 174.990 -0.409 0.000 1.280 445 C CA 0.522 59.240 59.018 -0.501 0.000 1.744 445 C CB -0.727 26.333 27.740 -1.134 0.000 1.989 445 C HN 0.508 nan 8.230 nan 0.000 0.491 446 I N 1.332 121.612 120.570 -0.483 0.000 2.202 446 I HA -0.182 3.981 4.170 -0.011 0.000 0.242 446 I C 2.741 178.721 176.117 -0.228 0.000 1.091 446 I CA 1.617 62.676 61.300 -0.401 0.000 1.368 446 I CB -0.520 37.089 38.000 -0.652 0.000 1.058 446 I HN 0.258 nan 8.210 nan 0.000 0.410 447 A N 0.515 123.179 122.820 -0.259 0.000 1.933 447 A HA -0.083 4.231 4.320 -0.011 0.000 0.218 447 A C 2.221 179.884 177.584 0.131 0.000 1.175 447 A CA 1.823 53.770 52.037 -0.149 0.000 0.628 447 A CB -1.119 17.599 19.000 -0.470 0.000 0.814 447 A HN 0.474 nan 8.150 nan 0.000 0.444 448 G N -1.146 107.666 108.800 0.019 0.000 3.284 448 G HA2 0.404 4.357 3.960 -0.011 0.000 0.236 448 G HA3 0.404 4.357 3.960 -0.011 0.000 0.236 448 G C 0.127 174.879 174.900 -0.247 0.000 1.158 448 G CA 0.486 45.471 45.100 -0.192 0.000 0.774 448 G HN 0.353 nan 8.290 nan 0.000 0.545 449 S N -0.279 115.332 115.700 -0.149 0.000 2.536 449 S HA 0.324 4.788 4.470 -0.011 0.000 0.298 449 S C 0.717 175.272 174.600 -0.074 0.000 1.083 449 S CA -0.706 57.432 58.200 -0.103 0.000 0.995 449 S CB 1.294 64.440 63.200 -0.092 0.000 1.058 449 S HN 0.501 nan 8.310 nan 0.000 0.488 450 H N -0.090 118.945 119.070 -0.059 0.000 2.548 450 H HA 0.496 5.046 4.556 -0.011 0.000 0.265 450 H C 0.101 175.414 175.328 -0.025 0.000 0.969 450 H CA 0.237 56.274 56.048 -0.018 0.000 1.155 450 H CB 0.139 29.905 29.762 0.007 0.000 1.394 450 H HN 0.517 nan 8.280 nan 0.000 0.570 451 A N 0.957 123.458 122.820 -0.531 0.000 2.488 451 A HA 0.567 4.880 4.320 -0.011 0.000 0.298 451 A C -1.433 175.951 177.584 -0.334 0.000 1.044 451 A CA -0.570 51.208 52.037 -0.432 0.000 0.693 451 A CB 2.262 20.959 19.000 -0.505 0.000 1.272 451 A HN 0.099 nan 8.150 nan 0.000 0.402 452 V N 4.101 123.784 119.914 -0.384 0.000 2.577 452 V HA 0.545 4.658 4.120 -0.011 0.000 0.303 452 V C -0.803 175.116 176.094 -0.291 0.000 1.042 452 V CA -0.752 61.321 62.300 -0.378 0.000 0.872 452 V CB 1.858 33.297 31.823 -0.639 0.000 0.998 452 V HN 1.033 nan 8.190 nan 0.000 0.423 453 N N 3.027 121.578 118.700 -0.249 0.000 2.262 453 N HA 0.617 5.351 4.740 -0.011 0.000 0.295 453 N C -0.317 175.111 175.510 -0.136 0.000 1.161 453 N CA -0.379 52.569 53.050 -0.169 0.000 0.767 453 N CB 2.915 41.276 38.487 -0.210 0.000 1.499 453 N HN 0.648 nan 8.380 nan 0.000 0.476 454 G N -0.758 108.000 108.800 -0.070 0.000 2.511 454 G HA2 0.417 4.371 3.960 -0.011 0.000 0.316 454 G HA3 0.417 4.371 3.960 -0.011 0.000 0.316 454 G C 0.817 175.797 174.900 0.132 0.000 1.210 454 G CA -0.552 44.570 45.100 0.038 0.000 0.969 454 G HN 0.609 nan 8.290 nan 0.000 0.492 455 V N -3.349 116.744 119.914 0.297 0.000 3.483 455 V HA 0.675 4.789 4.120 -0.011 0.000 0.301 455 V C 0.615 176.787 176.094 0.130 0.000 1.389 455 V CA 0.348 62.730 62.300 0.136 0.000 1.101 455 V CB -0.879 30.971 31.823 0.044 0.000 0.971 455 V HN 1.315 nan 8.190 nan 0.000 0.434 456 A N -0.270 122.641 122.820 0.153 0.000 2.594 456 A HA 0.612 4.925 4.320 -0.011 0.000 0.296 456 A C 0.697 178.334 177.584 0.089 0.000 1.056 456 A CA -0.164 51.941 52.037 0.112 0.000 0.693 456 A CB 1.202 20.256 19.000 0.090 0.000 1.278 456 A HN 0.018 nan 8.150 nan 0.000 0.408 457 R N 1.031 121.562 120.500 0.051 0.000 2.112 457 R HA -0.193 4.141 4.340 -0.011 0.000 0.242 457 R C 1.743 178.044 176.300 0.002 0.000 1.137 457 R CA 2.415 58.524 56.100 0.014 0.000 0.944 457 R CB -0.272 30.031 30.300 0.005 0.000 0.857 457 R HN 0.843 nan 8.270 nan 0.000 0.435 458 I N 0.136 120.714 120.570 0.014 0.000 2.264 458 I HA -0.321 3.842 4.170 -0.011 0.000 0.248 458 I C 2.360 178.486 176.117 0.014 0.000 1.111 458 I CA 1.993 63.294 61.300 0.000 0.000 1.382 458 I CB -0.255 37.744 38.000 -0.001 0.000 1.060 458 I HN 0.370 nan 8.210 nan 0.000 0.418 459 H N 0.327 119.370 119.070 -0.046 0.000 2.326 459 H HA -0.121 4.428 4.556 -0.011 0.000 0.301 459 H C 2.268 177.562 175.328 -0.058 0.000 1.081 459 H CA 2.200 58.215 56.048 -0.054 0.000 1.334 459 H CB -0.251 29.485 29.762 -0.043 0.000 1.385 459 H HN 0.241 nan 8.280 nan 0.000 0.504 460 S N 0.235 115.822 115.700 -0.187 0.000 2.399 460 S HA -0.110 4.353 4.470 -0.011 0.000 0.231 460 S C 1.865 176.346 174.600 -0.198 0.000 1.022 460 S CA 1.119 59.187 58.200 -0.220 0.000 0.983 460 S CB -0.052 63.093 63.200 -0.091 0.000 0.803 460 S HN 0.460 nan 8.310 nan 0.000 0.480 461 E N 1.183 121.287 120.200 -0.160 0.000 2.107 461 E HA 0.059 4.403 4.350 -0.011 0.000 0.191 461 E C 1.944 178.425 176.600 -0.198 0.000 0.982 461 E CA 0.563 56.859 56.400 -0.173 0.000 0.809 461 E CB -0.307 29.323 29.700 -0.117 0.000 0.756 461 E HN 0.504 nan 8.360 nan 0.000 0.459 462 I N 0.796 121.260 120.570 -0.177 0.000 2.394 462 I HA -0.240 3.923 4.170 -0.011 0.000 0.251 462 I C 2.255 178.232 176.117 -0.234 0.000 1.136 462 I CA 0.638 61.836 61.300 -0.170 0.000 1.425 462 I CB -0.128 37.802 38.000 -0.116 0.000 1.079 462 I HN 0.053 nan 8.210 nan 0.000 0.425 463 L N 0.276 121.321 121.223 -0.296 0.000 2.093 463 L HA -0.200 4.133 4.340 -0.011 0.000 0.208 463 L C 2.444 179.169 176.870 -0.241 0.000 1.085 463 L CA 1.443 56.104 54.840 -0.299 0.000 0.755 463 L CB -0.510 41.448 42.059 -0.168 0.000 0.904 463 L HN 0.203 nan 8.230 nan 0.000 0.435 464 K N -0.045 120.154 120.400 -0.336 0.000 2.116 464 K HA -0.088 4.225 4.320 -0.011 0.000 0.203 464 K C 2.060 178.451 176.600 -0.349 0.000 1.052 464 K CA 0.825 56.786 56.287 -0.544 0.000 0.952 464 K CB 0.075 32.011 32.500 -0.941 0.000 0.729 464 K HN 0.219 nan 8.250 nan 0.000 0.446 465 K N 0.175 120.421 120.400 -0.256 0.000 2.243 465 K HA -0.048 4.265 4.320 -0.011 0.000 0.201 465 K C 1.910 178.444 176.600 -0.110 0.000 1.051 465 K CA 1.508 57.700 56.287 -0.157 0.000 0.970 465 K CB 0.343 32.763 32.500 -0.133 0.000 0.755 465 K HN 0.298 nan 8.250 nan 0.000 0.465 466 T N -1.702 112.775 114.554 -0.129 0.000 3.257 466 T HA 0.068 4.412 4.350 -0.011 0.000 0.176 466 T C 1.666 176.308 174.700 -0.098 0.000 0.892 466 T CA -0.356 61.685 62.100 -0.100 0.000 1.147 466 T CB -0.717 68.088 68.868 -0.105 0.000 1.840 466 T HN -0.068 nan 8.240 nan 0.000 0.375 467 I N 0.938 121.387 120.570 -0.201 0.000 2.181 467 I HA -0.083 4.080 4.170 -0.011 0.000 0.247 467 I C 1.034 177.070 176.117 -0.134 0.000 1.081 467 I CA 1.810 62.929 61.300 -0.301 0.000 1.340 467 I CB -0.185 37.416 38.000 -0.666 0.000 1.036 467 I HN 0.500 nan 8.210 nan 0.000 0.417 468 F N -0.799 119.205 119.950 0.089 0.000 2.791 468 F HA 0.210 4.730 4.527 -0.011 0.000 0.308 468 F C 1.745 177.614 175.800 0.114 0.000 1.138 468 F CA -0.524 57.597 58.000 0.202 0.000 1.294 468 F CB -0.042 39.076 39.000 0.196 0.000 0.975 468 F HN -0.155 nan 8.300 nan 0.000 0.512 469 K N 0.983 121.484 120.400 0.169 0.000 2.044 469 K HA -0.213 4.100 4.320 -0.011 0.000 0.210 469 K C 1.279 177.929 176.600 0.084 0.000 1.049 469 K CA 2.067 58.400 56.287 0.076 0.000 0.927 469 K CB -0.009 32.502 32.500 0.019 0.000 0.713 469 K HN 0.236 nan 8.250 nan 0.000 0.443 470 D N -0.272 120.152 120.400 0.040 0.000 2.144 470 D HA -0.154 4.480 4.640 -0.011 0.000 0.199 470 D C 1.815 178.013 176.300 -0.169 0.000 0.984 470 D CA 1.192 55.087 54.000 -0.174 0.000 0.834 470 D CB -0.260 40.337 40.800 -0.338 0.000 0.955 470 D HN 0.226 nan 8.370 nan 0.000 0.465 471 F N -0.191 119.832 119.950 0.122 0.000 2.206 471 F HA -0.115 4.405 4.527 -0.011 0.000 0.298 471 F C 2.332 178.266 175.800 0.224 0.000 1.090 471 F CA 0.405 58.552 58.000 0.245 0.000 1.323 471 F CB -0.630 38.580 39.000 0.350 0.000 1.028 471 F HN -0.048 nan 8.300 nan 0.000 0.492 472 Y N 1.367 121.636 120.300 -0.053 0.000 2.181 472 Y HA -0.190 4.354 4.550 -0.011 0.000 0.288 472 Y C 2.122 178.013 175.900 -0.015 0.000 1.146 472 Y CA 1.637 59.535 58.100 -0.337 0.000 1.164 472 Y CB -0.596 37.507 38.460 -0.595 0.000 0.982 472 Y HN 0.116 nan 8.280 nan 0.000 0.515 473 E N -0.143 120.028 120.200 -0.049 0.000 2.150 473 E HA -0.188 4.155 4.350 -0.011 0.000 0.193 473 E C 2.231 178.895 176.600 0.107 0.000 0.985 473 E CA 0.970 57.353 56.400 -0.028 0.000 0.814 473 E CB -0.188 29.540 29.700 0.046 0.000 0.752 473 E HN 0.443 nan 8.360 nan 0.000 0.466 474 L N 0.710 122.034 121.223 0.168 0.000 2.044 474 L HA -0.065 4.269 4.340 -0.011 0.000 0.205 474 L C 0.090 177.045 176.870 0.142 0.000 1.075 474 L CA 1.482 56.451 54.840 0.215 0.000 0.747 474 L CB 0.130 42.318 42.059 0.214 0.000 0.903 474 L HN 0.063 nan 8.230 nan 0.000 0.435 475 E N -0.058 120.217 120.200 0.126 0.000 3.117 475 E HA 0.163 4.507 4.350 -0.011 0.000 0.262 475 E C -1.973 174.539 176.600 -0.147 0.000 1.202 475 E CA -1.381 54.996 56.400 -0.039 0.000 0.853 475 E CB 1.002 30.652 29.700 -0.084 0.000 1.426 475 E HN 0.164 nan 8.360 nan 0.000 0.387 476 P HA -0.254 nan 4.420 nan 0.000 0.218 476 P C 1.183 178.545 177.300 0.103 0.000 1.148 476 P CA 1.423 64.383 63.100 -0.234 0.000 0.822 476 P CB -0.066 31.385 31.700 -0.415 0.000 0.784 477 H N 0.153 119.307 119.070 0.141 0.000 2.489 477 H HA 0.049 4.598 4.556 -0.011 0.000 0.293 477 H C 1.534 176.947 175.328 0.142 0.000 1.066 477 H CA 0.838 56.967 56.048 0.134 0.000 1.305 477 H CB -0.723 29.092 29.762 0.089 0.000 1.386 477 H HN 0.160 nan 8.280 nan 0.000 0.551 478 K N 0.455 120.734 120.400 -0.201 0.000 2.097 478 K HA 0.008 4.322 4.320 -0.011 0.000 0.205 478 K C 0.022 176.471 176.600 -0.251 0.000 1.050 478 K CA 0.408 56.565 56.287 -0.218 0.000 0.938 478 K CB 0.003 32.257 32.500 -0.410 0.000 0.718 478 K HN 0.116 nan 8.250 nan 0.000 0.442 479 F N 2.021 122.002 119.950 0.052 0.000 2.467 479 F HA 0.103 4.623 4.527 -0.011 0.000 0.362 479 F C 0.633 176.448 175.800 0.025 0.000 1.090 479 F CA -0.072 57.968 58.000 0.066 0.000 1.202 479 F CB 0.707 39.807 39.000 0.168 0.000 1.113 479 F HN -0.029 nan 8.300 nan 0.000 0.541 480 Q N 1.842 121.677 119.800 0.058 0.000 2.882 480 Q HA 0.415 4.749 4.340 -0.011 0.000 0.315 480 Q C -1.246 174.721 176.000 -0.054 0.000 1.004 480 Q CA -1.336 54.458 55.803 -0.016 0.000 0.777 480 Q CB 2.830 31.503 28.738 -0.108 0.000 1.506 480 Q HN 0.630 nan 8.270 nan 0.000 0.489 481 N N 0.276 118.920 118.700 -0.093 0.000 2.225 481 N HA 0.279 5.012 4.740 -0.011 0.000 0.298 481 N C -1.587 173.825 175.510 -0.162 0.000 1.076 481 N CA -0.404 52.589 53.050 -0.095 0.000 0.792 481 N CB 1.318 39.773 38.487 -0.053 0.000 1.498 481 N HN 0.306 nan 8.380 nan 0.000 0.474 482 K N 2.606 122.915 120.400 -0.152 0.000 2.803 482 K HA 0.178 4.491 4.320 -0.011 0.000 0.229 482 K C -1.048 175.562 176.600 0.016 0.000 1.084 482 K CA -0.459 55.708 56.287 -0.199 0.000 1.063 482 K CB 1.149 33.289 32.500 -0.600 0.000 1.254 482 K HN 0.557 nan 8.250 nan 0.000 0.551 483 T N 1.997 116.578 114.554 0.046 0.000 2.908 483 T HA 0.054 4.397 4.350 -0.011 0.000 0.301 483 T C 0.807 175.635 174.700 0.213 0.000 1.019 483 T CA 0.385 62.563 62.100 0.130 0.000 1.152 483 T CB 0.280 69.229 68.868 0.134 0.000 0.966 483 T HN 0.344 nan 8.240 nan 0.000 0.540 484 N N 0.622 119.467 118.700 0.243 0.000 2.267 484 N HA 0.398 5.131 4.740 -0.011 0.000 0.226 484 N C 0.461 176.157 175.510 0.310 0.000 1.314 484 N CA -0.192 53.035 53.050 0.295 0.000 0.887 484 N CB 0.382 38.984 38.487 0.191 0.000 1.120 484 N HN 0.760 nan 8.380 nan 0.000 0.440 485 G N -0.642 108.351 108.800 0.321 0.000 2.649 485 G HA2 0.587 4.540 3.960 -0.011 0.000 0.290 485 G HA3 0.587 4.540 3.960 -0.011 0.000 0.290 485 G C -1.350 173.690 174.900 0.233 0.000 1.426 485 G CA -0.747 44.526 45.100 0.288 0.000 0.794 485 G HN 0.598 nan 8.290 nan 0.000 0.483 486 I N -2.305 118.383 120.570 0.197 0.000 2.892 486 I HA 0.780 4.943 4.170 -0.011 0.000 0.306 486 I C -0.166 176.112 176.117 0.267 0.000 1.078 486 I CA -0.974 60.436 61.300 0.183 0.000 1.032 486 I CB 2.493 40.488 38.000 -0.008 0.000 1.229 486 I HN 0.487 nan 8.210 nan 0.000 0.435 487 T N 3.916 118.692 114.554 0.369 0.000 2.761 487 T HA 0.359 4.703 4.350 -0.011 0.000 0.296 487 T C -1.403 173.417 174.700 0.200 0.000 0.934 487 T CA -1.686 60.551 62.100 0.228 0.000 1.091 487 T CB 0.742 69.688 68.868 0.129 0.000 0.896 487 T HN 0.611 nan 8.240 nan 0.000 0.515 488 P HA -0.015 nan 4.420 nan 0.000 0.225 488 P C 1.178 178.454 177.300 -0.040 0.000 1.148 488 P CA 0.648 63.790 63.100 0.069 0.000 0.779 488 P CB 0.311 32.037 31.700 0.044 0.000 0.780 489 R N 0.027 120.451 120.500 -0.127 0.000 2.055 489 R HA -0.016 4.317 4.340 -0.011 0.000 0.228 489 R C 2.755 178.937 176.300 -0.196 0.000 1.143 489 R CA 1.490 57.470 56.100 -0.200 0.000 0.945 489 R CB -0.656 29.521 30.300 -0.205 0.000 0.841 489 R HN 0.046 nan 8.270 nan 0.000 0.429 490 R N -0.423 119.904 120.500 -0.288 0.000 2.062 490 R HA -0.113 4.221 4.340 -0.011 0.000 0.229 490 R C 1.041 176.986 176.300 -0.591 0.000 1.128 490 R CA 1.506 57.285 56.100 -0.535 0.000 0.960 490 R CB -0.143 29.667 30.300 -0.816 0.000 0.855 490 R HN 0.284 nan 8.270 nan 0.000 0.432 491 W N 0.155 121.412 121.300 -0.071 0.000 3.377 491 W HA 0.136 4.789 4.660 -0.012 0.000 0.277 491 W C 0.897 177.384 176.519 -0.053 0.000 1.311 491 W CA -0.637 56.664 57.345 -0.073 0.000 1.703 491 W CB 0.352 29.773 29.460 -0.065 0.000 1.095 491 W HN 0.264 nan 8.180 nan 0.000 0.715 492 L N -2.563 118.708 121.223 0.079 0.000 2.604 492 L HA 0.160 4.494 4.340 -0.011 0.000 0.150 492 L C 1.722 178.605 176.870 0.022 0.000 1.292 492 L CA 0.658 55.543 54.840 0.075 0.000 0.977 492 L CB -0.862 41.268 42.059 0.118 0.000 1.943 492 L HN -0.275 nan 8.230 nan 0.000 0.508 493 V N 1.213 121.122 119.914 -0.008 0.000 2.332 493 V HA -0.278 3.835 4.120 -0.011 0.000 0.248 493 V C 2.455 178.519 176.094 -0.049 0.000 1.055 493 V CA 2.544 64.828 62.300 -0.027 0.000 1.038 493 V CB -0.663 31.115 31.823 -0.075 0.000 0.651 493 V HN 0.505 nan 8.190 nan 0.000 0.450 494 L N 0.328 121.492 121.223 -0.097 0.000 2.023 494 L HA -0.175 4.158 4.340 -0.011 0.000 0.205 494 L C 2.486 179.290 176.870 -0.110 0.000 1.073 494 L CA 2.317 57.083 54.840 -0.124 0.000 0.745 494 L CB -0.257 41.675 42.059 -0.211 0.000 0.900 494 L HN 0.655 nan 8.230 nan 0.000 0.435 495 C N -2.070 117.160 119.300 -0.118 0.000 2.563 495 C HA 0.207 4.660 4.460 -0.011 0.000 0.268 495 C C 1.189 176.160 174.990 -0.033 0.000 1.365 495 C CA -0.336 58.632 59.018 -0.083 0.000 1.754 495 C CB -0.984 26.707 27.740 -0.082 0.000 1.932 495 C HN 0.558 nan 8.230 nan 0.000 0.536 496 N N 1.222 119.913 118.700 -0.014 0.000 2.703 496 N HA 0.289 5.022 4.740 -0.011 0.000 0.283 496 N C -1.781 173.737 175.510 0.012 0.000 1.851 496 N CA -1.622 51.430 53.050 0.005 0.000 0.826 496 N CB 0.774 39.273 38.487 0.019 0.000 1.239 496 N HN 0.243 nan 8.380 nan 0.000 0.495 497 P HA -0.042 nan 4.420 nan 0.000 0.217 497 P C 1.406 178.716 177.300 0.018 0.000 1.150 497 P CA 0.917 64.023 63.100 0.011 0.000 0.832 497 P CB 0.265 31.964 31.700 -0.000 0.000 0.787 498 G N 0.881 109.686 108.800 0.009 0.000 2.459 498 G HA2 -0.263 3.690 3.960 -0.011 0.000 0.217 498 G HA3 -0.263 3.690 3.960 -0.011 0.000 0.217 498 G C 1.541 176.442 174.900 0.003 0.000 1.183 498 G CA 0.865 45.967 45.100 0.003 0.000 0.776 498 G HN 0.265 nan 8.290 nan 0.000 0.552 499 L N 1.356 122.581 121.223 0.003 0.000 2.083 499 L HA 0.168 4.501 4.340 -0.011 0.000 0.209 499 L C 3.045 179.935 176.870 0.034 0.000 1.083 499 L CA 2.134 56.972 54.840 -0.003 0.000 0.752 499 L CB -0.650 41.409 42.059 0.001 0.000 0.899 499 L HN 0.241 nan 8.230 nan 0.000 0.433 500 A N -0.873 121.989 122.820 0.070 0.000 1.933 500 A HA -0.234 4.079 4.320 -0.011 0.000 0.218 500 A C 2.227 179.902 177.584 0.151 0.000 1.175 500 A CA 1.691 53.818 52.037 0.150 0.000 0.628 500 A CB -0.626 18.457 19.000 0.139 0.000 0.814 500 A HN 0.550 nan 8.150 nan 0.000 0.444 501 E N 0.763 121.013 120.200 0.084 0.000 2.028 501 E HA -0.161 4.183 4.350 -0.011 0.000 0.191 501 E C 1.832 178.472 176.600 0.067 0.000 0.988 501 E CA 1.614 58.056 56.400 0.070 0.000 0.799 501 E CB -0.527 29.195 29.700 0.036 0.000 0.755 501 E HN 0.737 nan 8.360 nan 0.000 0.447 502 I N -1.729 118.869 120.570 0.047 0.000 2.454 502 I HA -0.129 4.034 4.170 -0.011 0.000 0.254 502 I C 2.133 178.331 176.117 0.134 0.000 1.156 502 I CA 1.053 62.391 61.300 0.062 0.000 1.433 502 I CB -0.314 37.680 38.000 -0.009 0.000 1.082 502 I HN 0.029 nan 8.210 nan 0.000 0.432 503 I N 1.916 122.547 120.570 0.101 0.000 2.193 503 I HA -0.171 3.992 4.170 -0.011 0.000 0.240 503 I C 3.015 179.136 176.117 0.006 0.000 1.084 503 I CA 1.309 62.624 61.300 0.025 0.000 1.365 503 I CB -0.480 37.412 38.000 -0.180 0.000 1.064 503 I HN 0.285 nan 8.210 nan 0.000 0.410 504 A N 0.228 123.136 122.820 0.146 0.000 1.978 504 A HA -0.259 4.055 4.320 -0.011 0.000 0.220 504 A C 2.167 179.800 177.584 0.083 0.000 1.170 504 A CA 1.763 53.923 52.037 0.206 0.000 0.636 504 A CB -0.652 18.477 19.000 0.215 0.000 0.810 504 A HN 0.453 nan 8.150 nan 0.000 0.448 505 E N -0.865 119.364 120.200 0.047 0.000 2.160 505 E HA -0.190 4.154 4.350 -0.011 0.000 0.195 505 E C 2.247 178.828 176.600 -0.032 0.000 0.991 505 E CA 1.134 57.543 56.400 0.016 0.000 0.810 505 E CB 0.026 29.740 29.700 0.023 0.000 0.742 505 E HN 0.542 nan 8.360 nan 0.000 0.466 506 R N -0.155 120.278 120.500 -0.111 0.000 2.103 506 R HA 0.091 4.424 4.340 -0.011 0.000 0.212 506 R C 2.327 178.550 176.300 -0.128 0.000 1.107 506 R CA 0.800 56.754 56.100 -0.243 0.000 1.025 506 R CB -0.283 29.569 30.300 -0.748 0.000 0.929 506 R HN 0.276 nan 8.270 nan 0.000 0.456 507 I N -2.280 118.233 120.570 -0.096 0.000 4.018 507 I HA 0.430 4.593 4.170 -0.011 0.000 0.337 507 I C 0.550 176.715 176.117 0.081 0.000 1.327 507 I CA 0.135 61.435 61.300 0.000 0.000 1.100 507 I CB 0.689 38.675 38.000 -0.024 0.000 1.025 507 I HN 0.209 nan 8.210 nan 0.000 0.396 508 G N 2.033 110.893 108.800 0.100 0.000 2.582 508 G HA2 -0.200 3.753 3.960 -0.011 0.000 0.222 508 G HA3 -0.200 3.753 3.960 -0.011 0.000 0.222 508 G C -0.078 174.946 174.900 0.207 0.000 1.311 508 G CA 0.143 45.316 45.100 0.121 0.000 0.915 508 G HN 0.402 nan 8.290 nan 0.000 0.528 509 E N -0.536 119.723 120.200 0.098 0.000 2.473 509 E HA 0.112 4.456 4.350 -0.011 0.000 0.204 509 E C 1.850 178.350 176.600 -0.166 0.000 0.994 509 E CA -0.007 56.361 56.400 -0.052 0.000 0.945 509 E CB 0.301 29.977 29.700 -0.040 0.000 0.990 509 E HN 0.450 nan 8.360 nan 0.000 0.493 510 E N 0.662 120.858 120.200 -0.007 0.000 2.284 510 E HA -0.216 4.127 4.350 -0.011 0.000 0.200 510 E C 1.677 178.264 176.600 -0.021 0.000 1.008 510 E CA 1.101 57.501 56.400 0.000 0.000 0.829 510 E CB -0.065 29.664 29.700 0.049 0.000 0.744 510 E HN 0.539 nan 8.360 nan 0.000 0.491 511 Y N -1.346 118.958 120.300 0.006 0.000 2.421 511 Y HA -0.021 4.523 4.550 -0.010 0.000 0.292 511 Y C 1.976 177.852 175.900 -0.039 0.000 1.136 511 Y CA 0.498 58.593 58.100 -0.008 0.000 1.255 511 Y CB -0.679 37.781 38.460 -0.002 0.000 0.991 511 Y HN -0.099 nan 8.280 nan 0.000 0.552 512 I N 1.005 121.131 120.570 -0.740 0.000 2.567 512 I HA -0.235 3.929 4.170 -0.011 0.000 0.257 512 I C 1.548 177.438 176.117 -0.378 0.000 1.184 512 I CA 1.778 62.708 61.300 -0.616 0.000 1.451 512 I CB -0.296 37.230 38.000 -0.789 0.000 1.089 512 I HN 0.475 nan 8.210 nan 0.000 0.441 513 S N -2.313 113.263 115.700 -0.207 0.000 2.749 513 S HA 0.208 4.671 4.470 -0.011 0.000 0.246 513 S C 0.141 174.730 174.600 -0.018 0.000 1.023 513 S CA -0.502 57.646 58.200 -0.087 0.000 1.012 513 S CB 0.398 63.612 63.200 0.023 0.000 0.942 513 S HN 0.251 nan 8.310 nan 0.000 0.531 514 D N 0.740 121.139 120.400 -0.001 0.000 2.934 514 D HA 0.245 4.878 4.640 -0.011 0.000 0.249 514 D C 0.352 176.701 176.300 0.081 0.000 1.293 514 D CA -0.349 53.672 54.000 0.035 0.000 0.812 514 D CB 0.411 41.235 40.800 0.040 0.000 1.439 514 D HN 0.085 nan 8.370 nan 0.000 0.555 515 L N 1.165 122.436 121.223 0.080 0.000 2.261 515 L HA -0.040 4.294 4.340 -0.011 0.000 0.216 515 L C 1.534 178.451 176.870 0.079 0.000 1.114 515 L CA 1.545 56.457 54.840 0.121 0.000 0.777 515 L CB -0.057 42.063 42.059 0.102 0.000 0.910 515 L HN 0.294 nan 8.230 nan 0.000 0.440 516 D N -0.772 119.653 120.400 0.041 0.000 2.221 516 D HA -0.211 4.422 4.640 -0.011 0.000 0.204 516 D C 1.834 178.150 176.300 0.027 0.000 0.982 516 D CA 0.862 54.871 54.000 0.015 0.000 0.857 516 D CB 0.050 40.848 40.800 -0.004 0.000 0.934 516 D HN 0.557 nan 8.370 nan 0.000 0.475 517 Q N -0.102 119.732 119.800 0.057 0.000 2.508 517 Q HA -0.109 4.224 4.340 -0.011 0.000 0.214 517 Q C 1.767 177.781 176.000 0.023 0.000 0.979 517 Q CA 0.155 55.993 55.803 0.059 0.000 0.911 517 Q CB 0.071 28.876 28.738 0.112 0.000 0.969 517 Q HN 0.199 nan 8.270 nan 0.000 0.504 518 L N 0.634 121.860 121.223 0.005 0.000 2.275 518 L HA -0.136 4.197 4.340 -0.011 0.000 0.215 518 L C 2.097 178.954 176.870 -0.022 0.000 1.119 518 L CA 1.414 56.220 54.840 -0.056 0.000 0.790 518 L CB -0.421 41.614 42.059 -0.041 0.000 0.919 518 L HN 0.123 nan 8.230 nan 0.000 0.443 519 R N -0.408 120.092 120.500 -0.001 0.000 2.127 519 R HA -0.190 4.144 4.340 -0.011 0.000 0.238 519 R C 1.990 178.291 176.300 0.003 0.000 1.134 519 R CA 1.133 57.235 56.100 0.003 0.000 0.975 519 R CB -0.258 30.042 30.300 -0.001 0.000 0.865 519 R HN 0.405 nan 8.270 nan 0.000 0.447 520 K N 0.626 121.029 120.400 0.005 0.000 2.286 520 K HA -0.126 4.187 4.320 -0.011 0.000 0.203 520 K C 1.897 178.533 176.600 0.060 0.000 1.045 520 K CA 0.863 57.163 56.287 0.021 0.000 0.935 520 K CB -0.123 32.398 32.500 0.035 0.000 0.737 520 K HN 0.255 nan 8.250 nan 0.000 0.460 521 L N 0.516 121.755 121.223 0.027 0.000 2.376 521 L HA -0.134 4.199 4.340 -0.011 0.000 0.219 521 L C 1.902 178.815 176.870 0.071 0.000 1.133 521 L CA 0.084 54.942 54.840 0.031 0.000 0.816 521 L CB -0.226 41.814 42.059 -0.032 0.000 0.933 521 L HN 0.138 nan 8.230 nan 0.000 0.449 522 L N 0.072 121.313 121.223 0.032 0.000 2.131 522 L HA -0.174 4.160 4.340 -0.011 0.000 0.210 522 L C 2.631 179.476 176.870 -0.040 0.000 1.092 522 L CA 1.847 56.694 54.840 0.011 0.000 0.759 522 L CB -0.905 41.152 42.059 -0.004 0.000 0.903 522 L HN 0.324 nan 8.230 nan 0.000 0.435 523 S N -2.635 112.992 115.700 -0.121 0.000 2.720 523 S HA -0.062 4.401 4.470 -0.011 0.000 0.222 523 S C 1.005 175.286 174.600 -0.532 0.000 0.958 523 S CA 0.224 58.244 58.200 -0.300 0.000 0.943 523 S CB -0.567 62.410 63.200 -0.372 0.000 0.779 523 S HN 0.460 nan 8.310 nan 0.000 0.526 524 Y N -0.866 119.346 120.300 -0.147 0.000 2.588 524 Y HA 0.403 4.950 4.550 -0.003 0.000 0.247 524 Y C 1.833 177.732 175.900 -0.002 0.000 1.157 524 Y CA -0.644 57.356 58.100 -0.167 0.000 1.215 524 Y CB 0.209 38.345 38.460 -0.539 0.000 1.245 524 Y HN 0.254 nan 8.280 nan 0.000 0.534 525 V N 0.492 120.471 119.914 0.109 0.000 2.568 525 V HA -0.229 3.885 4.120 -0.011 0.000 0.253 525 V C 1.014 177.173 176.094 0.108 0.000 1.072 525 V CA 2.415 64.792 62.300 0.129 0.000 1.084 525 V CB 0.016 31.879 31.823 0.067 0.000 0.676 525 V HN 0.343 nan 8.190 nan 0.000 0.469 526 D N -0.904 119.537 120.400 0.069 0.000 2.398 526 D HA 0.102 4.735 4.640 -0.011 0.000 0.210 526 D C 0.522 176.868 176.300 0.076 0.000 1.094 526 D CA -0.025 54.008 54.000 0.055 0.000 0.839 526 D CB 0.021 40.831 40.800 0.015 0.000 0.963 526 D HN 0.466 nan 8.370 nan 0.000 0.506 527 D N 1.695 122.172 120.400 0.127 0.000 2.363 527 D HA -0.062 4.571 4.640 -0.011 0.000 0.263 527 D C 1.182 177.584 176.300 0.170 0.000 1.258 527 D CA 0.120 54.220 54.000 0.167 0.000 0.907 527 D CB 1.393 42.370 40.800 0.295 0.000 1.107 527 D HN -0.184 nan 8.370 nan 0.000 0.495 528 E N 3.384 123.652 120.200 0.112 0.000 2.160 528 E HA -0.155 4.189 4.350 -0.011 0.000 0.195 528 E C 1.665 178.322 176.600 0.094 0.000 0.991 528 E CA 1.271 57.722 56.400 0.086 0.000 0.810 528 E CB -0.085 29.649 29.700 0.057 0.000 0.742 528 E HN 0.607 nan 8.360 nan 0.000 0.466 529 A N -0.386 122.506 122.820 0.121 0.000 1.854 529 A HA -0.114 4.199 4.320 -0.011 0.000 0.214 529 A C 2.268 179.939 177.584 0.145 0.000 1.192 529 A CA 1.225 53.330 52.037 0.115 0.000 0.611 529 A CB -1.034 18.039 19.000 0.121 0.000 0.832 529 A HN 0.387 nan 8.150 nan 0.000 0.442 530 F N 0.616 120.588 119.950 0.036 0.000 2.095 530 F HA -0.197 4.325 4.527 -0.009 0.000 0.298 530 F C 2.101 177.913 175.800 0.018 0.000 1.104 530 F CA 1.776 59.784 58.000 0.012 0.000 1.232 530 F CB -0.125 38.897 39.000 0.037 0.000 0.987 530 F HN 0.170 nan 8.300 nan 0.000 0.475 531 I N -0.002 120.634 120.570 0.109 0.000 2.194 531 I HA -0.366 3.797 4.170 -0.011 0.000 0.246 531 I C 2.554 178.637 176.117 -0.057 0.000 1.093 531 I CA 1.706 63.014 61.300 0.013 0.000 1.355 531 I CB -0.535 37.507 38.000 0.069 0.000 1.046 531 I HN 0.116 nan 8.210 nan 0.000 0.413 532 R N 0.814 121.297 120.500 -0.028 0.000 2.092 532 R HA -0.174 4.160 4.340 -0.011 0.000 0.231 532 R C 1.848 178.099 176.300 -0.082 0.000 1.119 532 R CA 1.686 57.761 56.100 -0.040 0.000 0.970 532 R CB -0.058 30.235 30.300 -0.011 0.000 0.864 532 R HN 0.286 nan 8.270 nan 0.000 0.440 533 D N -0.480 119.844 120.400 -0.126 0.000 2.103 533 D HA -0.109 4.525 4.640 -0.011 0.000 0.199 533 D C 1.915 178.072 176.300 -0.238 0.000 0.978 533 D CA 1.210 55.110 54.000 -0.167 0.000 0.829 533 D CB -0.215 40.476 40.800 -0.181 0.000 0.981 533 D HN 0.040 nan 8.370 nan 0.000 0.464 534 V N 1.477 121.155 119.914 -0.392 0.000 2.287 534 V HA -0.260 3.853 4.120 -0.011 0.000 0.248 534 V C 2.478 178.479 176.094 -0.156 0.000 1.053 534 V CA 1.956 64.049 62.300 -0.345 0.000 1.027 534 V CB -0.815 30.759 31.823 -0.414 0.000 0.646 534 V HN 0.197 nan 8.190 nan 0.000 0.447 535 A N -0.830 121.921 122.820 -0.115 0.000 2.015 535 A HA -0.214 4.100 4.320 -0.011 0.000 0.219 535 A C 2.362 179.908 177.584 -0.063 0.000 1.163 535 A CA 1.900 53.902 52.037 -0.058 0.000 0.646 535 A CB -0.404 18.568 19.000 -0.047 0.000 0.806 535 A HN 0.511 nan 8.150 nan 0.000 0.448 536 K N 0.235 120.590 120.400 -0.075 0.000 2.062 536 K HA -0.086 4.228 4.320 -0.011 0.000 0.205 536 K C 1.988 178.558 176.600 -0.050 0.000 1.051 536 K CA 1.608 57.860 56.287 -0.059 0.000 0.941 536 K CB -0.303 32.163 32.500 -0.056 0.000 0.719 536 K HN 0.422 nan 8.250 nan 0.000 0.440 537 V N -0.104 119.775 119.914 -0.060 0.000 2.407 537 V HA -0.170 3.943 4.120 -0.011 0.000 0.248 537 V C 2.221 178.299 176.094 -0.025 0.000 1.055 537 V CA 1.968 64.244 62.300 -0.040 0.000 1.049 537 V CB -0.620 31.174 31.823 -0.047 0.000 0.662 537 V HN 0.171 nan 8.190 nan 0.000 0.455 538 K N 0.632 121.015 120.400 -0.028 0.000 2.097 538 K HA -0.184 4.129 4.320 -0.011 0.000 0.206 538 K C 2.266 178.843 176.600 -0.038 0.000 1.049 538 K CA 2.036 58.315 56.287 -0.012 0.000 0.933 538 K CB -0.598 31.910 32.500 0.013 0.000 0.717 538 K HN 0.541 nan 8.250 nan 0.000 0.442 539 Q N 0.890 120.659 119.800 -0.051 0.000 2.172 539 Q HA -0.047 4.286 4.340 -0.011 0.000 0.200 539 Q C 1.589 177.567 176.000 -0.036 0.000 0.964 539 Q CA 1.712 57.474 55.803 -0.068 0.000 0.855 539 Q CB 0.009 28.708 28.738 -0.064 0.000 0.918 539 Q HN 0.505 nan 8.270 nan 0.000 0.444 540 E N -0.636 119.554 120.200 -0.016 0.000 2.072 540 E HA -0.121 4.222 4.350 -0.011 0.000 0.191 540 E C 1.626 178.246 176.600 0.034 0.000 0.985 540 E CA 0.845 57.249 56.400 0.007 0.000 0.801 540 E CB 0.053 29.756 29.700 0.004 0.000 0.750 540 E HN 0.366 nan 8.360 nan 0.000 0.452 541 N N 0.942 119.661 118.700 0.031 0.000 2.120 541 N HA -0.147 4.586 4.740 -0.011 0.000 0.188 541 N C 1.453 177.041 175.510 0.131 0.000 1.024 541 N CA 1.118 54.208 53.050 0.067 0.000 0.852 541 N CB -0.091 38.422 38.487 0.043 0.000 1.003 541 N HN 0.117 nan 8.380 nan 0.000 0.424 542 K N 0.456 120.897 120.400 0.069 0.000 2.097 542 K HA 0.004 4.317 4.320 -0.011 0.000 0.206 542 K C 2.034 178.750 176.600 0.193 0.000 1.049 542 K CA 0.650 56.992 56.287 0.093 0.000 0.933 542 K CB -0.123 32.165 32.500 -0.354 0.000 0.717 542 K HN 0.132 nan 8.250 nan 0.000 0.442 543 L N 0.990 122.273 121.223 0.100 0.000 2.109 543 L HA -0.119 4.215 4.340 -0.011 0.000 0.207 543 L C 2.583 179.538 176.870 0.142 0.000 1.086 543 L CA 0.986 55.889 54.840 0.104 0.000 0.760 543 L CB -0.210 41.882 42.059 0.056 0.000 0.910 543 L HN 0.091 nan 8.230 nan 0.000 0.437 544 K N -0.271 120.222 120.400 0.155 0.000 2.057 544 K HA -0.183 4.130 4.320 -0.011 0.000 0.206 544 K C 2.173 178.918 176.600 0.242 0.000 1.050 544 K CA 1.467 57.854 56.287 0.167 0.000 0.935 544 K CB -0.142 32.443 32.500 0.142 0.000 0.715 544 K HN 0.118 nan 8.250 nan 0.000 0.439 545 F N 1.377 121.418 119.950 0.152 0.000 2.206 545 F HA -0.052 4.468 4.527 -0.011 0.000 0.298 545 F C 2.062 178.003 175.800 0.234 0.000 1.090 545 F CA 1.111 59.221 58.000 0.182 0.000 1.323 545 F CB -0.413 38.697 39.000 0.183 0.000 1.028 545 F HN 0.007 nan 8.300 nan 0.000 0.492 546 A N 0.141 123.084 122.820 0.205 0.000 1.972 546 A HA -0.045 4.268 4.320 -0.011 0.000 0.219 546 A C 2.380 179.967 177.584 0.006 0.000 1.169 546 A CA 1.721 53.805 52.037 0.079 0.000 0.635 546 A CB -1.401 17.706 19.000 0.178 0.000 0.810 546 A HN 0.451 nan 8.150 nan 0.000 0.446 547 A N -1.379 121.479 122.820 0.063 0.000 1.872 547 A HA -0.023 4.290 4.320 -0.011 0.000 0.214 547 A C 2.117 179.722 177.584 0.035 0.000 1.187 547 A CA 1.451 53.522 52.037 0.057 0.000 0.614 547 A CB -0.846 18.203 19.000 0.083 0.000 0.826 547 A HN 0.771 nan 8.150 nan 0.000 0.442 548 Y N 0.053 120.301 120.300 -0.086 0.000 2.256 548 Y HA -0.165 4.378 4.550 -0.011 0.000 0.288 548 Y C 1.768 177.586 175.900 -0.138 0.000 1.155 548 Y CA 1.533 59.573 58.100 -0.100 0.000 1.203 548 Y CB -0.253 38.164 38.460 -0.072 0.000 0.980 548 Y HN 0.181 nan 8.280 nan 0.000 0.530 549 L N 0.682 121.828 121.223 -0.127 0.000 2.201 549 L HA -0.138 4.196 4.340 -0.011 0.000 0.212 549 L C 2.214 179.040 176.870 -0.074 0.000 1.105 549 L CA 1.725 56.484 54.840 -0.134 0.000 0.775 549 L CB -0.762 41.144 42.059 -0.254 0.000 0.913 549 L HN 0.341 nan 8.230 nan 0.000 0.440 550 E N -1.673 118.483 120.200 -0.073 0.000 2.140 550 E HA -0.058 4.285 4.350 -0.011 0.000 0.191 550 E C 2.257 178.810 176.600 -0.080 0.000 0.973 550 E CA 0.028 56.412 56.400 -0.026 0.000 0.829 550 E CB 0.170 29.891 29.700 0.036 0.000 0.781 550 E HN 0.315 nan 8.360 nan 0.000 0.466 551 R N 0.791 121.209 120.500 -0.137 0.000 2.070 551 R HA -0.139 4.195 4.340 -0.011 0.000 0.232 551 R C 1.658 177.794 176.300 -0.273 0.000 1.138 551 R CA 1.415 57.414 56.100 -0.168 0.000 0.936 551 R CB -0.005 30.202 30.300 -0.156 0.000 0.839 551 R HN 0.008 nan 8.270 nan 0.000 0.429 552 E N -1.749 118.148 120.200 -0.505 0.000 2.474 552 E HA -0.019 4.324 4.350 -0.011 0.000 0.194 552 E C 0.034 176.135 176.600 -0.832 0.000 1.041 552 E CA 0.449 56.413 56.400 -0.726 0.000 0.874 552 E CB 0.533 29.570 29.700 -1.106 0.000 0.914 552 E HN 0.325 nan 8.360 nan 0.000 0.498 553 Y N -0.194 119.971 120.300 -0.224 0.000 2.666 553 Y HA 0.231 4.774 4.550 -0.011 0.000 0.260 553 Y C -0.571 175.286 175.900 -0.072 0.000 1.089 553 Y CA -0.741 57.286 58.100 -0.121 0.000 1.246 553 Y CB 0.618 39.010 38.460 -0.113 0.000 1.353 553 Y HN -0.290 nan 8.280 nan 0.000 0.558 554 K N 1.231 121.653 120.400 0.036 0.000 5.423 554 K HA -0.150 4.163 4.320 -0.011 0.000 0.410 554 K C 0.537 177.179 176.600 0.070 0.000 0.929 554 K CA 1.030 57.341 56.287 0.040 0.000 1.129 554 K CB -1.175 31.341 32.500 0.025 0.000 1.934 554 K HN 0.432 nan 8.250 nan 0.000 0.348 555 V N -2.237 117.721 119.914 0.073 0.000 3.273 555 V HA 0.120 4.233 4.120 -0.011 0.000 0.208 555 V C 0.212 176.383 176.094 0.129 0.000 1.464 555 V CA 0.933 63.278 62.300 0.076 0.000 1.270 555 V CB -0.140 31.702 31.823 0.031 0.000 1.161 555 V HN 0.948 nan 8.190 nan 0.000 0.512 556 H N 1.396 120.464 119.070 -0.004 0.000 4.024 556 H HA -0.072 4.478 4.556 -0.011 0.000 0.307 556 H C -0.764 174.567 175.328 0.005 0.000 0.778 556 H CA 0.445 56.496 56.048 0.005 0.000 0.888 556 H CB -0.840 28.930 29.762 0.013 0.000 1.321 556 H HN 0.990 nan 8.280 nan 0.000 0.330 557 I N 1.172 121.460 120.570 -0.470 0.000 2.892 557 I HA 0.492 4.656 4.170 -0.011 0.000 0.306 557 I C -0.030 175.900 176.117 -0.311 0.000 1.078 557 I CA -1.327 59.808 61.300 -0.275 0.000 1.032 557 I CB 2.025 39.941 38.000 -0.141 0.000 1.229 557 I HN 0.605 nan 8.210 nan 0.000 0.435 558 N N 4.358 123.010 118.700 -0.081 0.000 2.406 558 N HA 0.393 5.127 4.740 -0.011 0.000 0.251 558 N C -2.059 173.522 175.510 0.119 0.000 1.069 558 N CA -2.429 50.622 53.050 0.002 0.000 0.947 558 N CB 1.023 39.533 38.487 0.040 0.000 1.111 558 N HN 0.374 nan 8.380 nan 0.000 0.497 559 P HA 0.071 nan 4.420 nan 0.000 0.242 559 P C -0.156 177.086 177.300 -0.095 0.000 1.197 559 P CA 0.837 63.952 63.100 0.024 0.000 0.765 559 P CB 0.135 31.847 31.700 0.020 0.000 0.936 560 N N -1.126 117.564 118.700 -0.017 0.000 2.325 560 N HA 0.006 4.739 4.740 -0.011 0.000 0.182 560 N C 0.551 176.072 175.510 0.018 0.000 1.088 560 N CA -0.093 52.948 53.050 -0.016 0.000 0.879 560 N CB 0.146 38.642 38.487 0.015 0.000 0.983 560 N HN 0.124 nan 8.380 nan 0.000 0.471 561 S N 0.240 115.958 115.700 0.029 0.000 2.624 561 S HA 0.206 4.670 4.470 -0.011 0.000 0.263 561 S C 0.022 174.575 174.600 -0.078 0.000 1.287 561 S CA -0.849 57.362 58.200 0.018 0.000 0.990 561 S CB 0.997 64.229 63.200 0.053 0.000 0.950 561 S HN 0.159 nan 8.310 nan 0.000 0.561 562 L N 1.444 122.487 121.223 -0.301 0.000 2.360 562 L HA 0.399 4.732 4.340 -0.011 0.000 0.276 562 L C -0.910 175.929 176.870 -0.051 0.000 1.121 562 L CA -0.601 53.867 54.840 -0.621 0.000 0.845 562 L CB -0.034 41.380 42.059 -1.075 0.000 1.143 562 L HN 0.707 nan 8.230 nan 0.000 0.452 563 F N 4.144 123.956 119.950 -0.231 0.000 2.405 563 F HA 0.100 4.621 4.527 -0.010 0.000 0.358 563 F C 0.413 176.140 175.800 -0.122 0.000 1.151 563 F CA -0.803 57.129 58.000 -0.112 0.000 1.161 563 F CB 0.564 39.548 39.000 -0.028 0.000 1.245 563 F HN 0.515 nan 8.300 nan 0.000 0.545 564 D N 4.897 125.296 120.400 -0.002 0.000 2.428 564 D HA 0.213 4.846 4.640 -0.011 0.000 0.221 564 D C -1.000 175.237 176.300 -0.105 0.000 1.123 564 D CA 0.064 54.017 54.000 -0.078 0.000 0.869 564 D CB 1.288 42.031 40.800 -0.094 0.000 1.032 564 D HN 0.262 nan 8.370 nan 0.000 0.506 565 V N 2.982 122.817 119.914 -0.132 0.000 2.656 565 V HA 0.555 4.668 4.120 -0.011 0.000 0.307 565 V C -1.385 174.569 176.094 -0.234 0.000 1.051 565 V CA -0.686 61.522 62.300 -0.154 0.000 0.893 565 V CB 1.953 33.732 31.823 -0.073 0.000 0.999 565 V HN 0.494 nan 8.190 nan 0.000 0.426 566 Q N 4.507 124.187 119.800 -0.200 0.000 2.394 566 Q HA 0.658 4.992 4.340 -0.011 0.000 0.261 566 Q C -1.476 174.377 176.000 -0.245 0.000 1.023 566 Q CA -0.640 55.036 55.803 -0.212 0.000 0.720 566 Q CB 1.860 30.499 28.738 -0.164 0.000 1.241 566 Q HN 1.112 nan 8.270 nan 0.000 0.483 567 V N 2.145 121.897 119.914 -0.269 0.000 2.444 567 V HA 0.854 4.967 4.120 -0.011 0.000 0.294 567 V C -0.819 175.001 176.094 -0.457 0.000 1.022 567 V CA -0.573 61.377 62.300 -0.583 0.000 0.850 567 V CB 1.251 32.484 31.823 -0.984 0.000 0.992 567 V HN 0.794 nan 8.190 nan 0.000 0.426 568 K N 2.692 122.881 120.400 -0.352 0.000 2.931 568 K HA 0.393 4.706 4.320 -0.011 0.000 0.292 568 K C -1.313 175.316 176.600 0.049 0.000 1.077 568 K CA -1.031 55.238 56.287 -0.029 0.000 0.829 568 K CB 1.005 33.485 32.500 -0.034 0.000 1.488 568 K HN 0.488 nan 8.250 nan 0.000 0.358 569 R N 0.876 121.470 120.500 0.158 0.000 2.698 569 R HA 0.178 4.512 4.340 -0.011 0.000 0.266 569 R C 0.411 176.759 176.300 0.081 0.000 1.026 569 R CA -0.341 55.860 56.100 0.169 0.000 1.102 569 R CB -0.120 30.343 30.300 0.272 0.000 0.978 569 R HN 0.464 nan 8.270 nan 0.000 0.436 570 I N 4.874 125.425 120.570 -0.032 0.000 2.436 570 I HA 0.084 4.248 4.170 -0.011 0.000 0.289 570 I C 0.783 176.679 176.117 -0.367 0.000 1.083 570 I CA 0.615 61.825 61.300 -0.149 0.000 1.372 570 I CB -0.352 37.562 38.000 -0.144 0.000 1.408 570 I HN 0.264 nan 8.210 nan 0.000 0.516 571 H N 4.482 123.469 119.070 -0.138 0.000 2.961 571 H HA 0.261 4.811 4.556 -0.011 0.000 0.371 571 H C 0.418 175.629 175.328 -0.194 0.000 1.190 571 H CA -0.513 55.494 56.048 -0.069 0.000 1.138 571 H CB 2.146 31.788 29.762 -0.200 0.000 1.816 571 H HN 0.489 nan 8.280 nan 0.000 0.551 572 E N 0.962 121.194 120.200 0.053 0.000 2.106 572 E HA -0.183 4.160 4.350 -0.011 0.000 0.192 572 E C 1.492 177.840 176.600 -0.421 0.000 0.984 572 E CA 1.270 57.633 56.400 -0.061 0.000 0.806 572 E CB 0.021 29.859 29.700 0.230 0.000 0.750 572 E HN 0.561 nan 8.360 nan 0.000 0.458 573 Y N 0.886 120.657 120.300 -0.882 0.000 2.352 573 Y HA -0.026 4.517 4.550 -0.011 0.000 0.292 573 Y C 1.515 177.176 175.900 -0.399 0.000 1.136 573 Y CA 0.733 58.186 58.100 -1.078 0.000 1.227 573 Y CB -0.012 37.839 38.460 -1.015 0.000 0.991 573 Y HN -0.208 nan 8.280 nan 0.000 0.545 574 K N 1.020 120.965 120.400 -0.758 0.000 2.366 574 K HA 0.018 4.331 4.320 -0.011 0.000 0.198 574 K C 0.193 176.625 176.600 -0.281 0.000 1.044 574 K CA 0.682 56.645 56.287 -0.540 0.000 0.973 574 K CB -0.158 32.048 32.500 -0.489 0.000 0.767 574 K HN 0.437 nan 8.250 nan 0.000 0.475 575 R N 0.889 121.247 120.500 -0.236 0.000 3.267 575 R HA -0.199 4.135 4.340 -0.011 0.000 0.254 575 R C 0.467 176.686 176.300 -0.135 0.000 0.993 575 R CA 0.258 56.272 56.100 -0.145 0.000 0.670 575 R CB -1.897 28.337 30.300 -0.111 0.000 1.125 575 R HN 0.290 nan 8.270 nan 0.000 0.434 576 Q N 0.323 120.042 119.800 -0.135 0.000 2.291 576 Q HA -0.021 4.313 4.340 -0.011 0.000 0.206 576 Q C 2.061 178.007 176.000 -0.090 0.000 0.976 576 Q CA 1.267 57.004 55.803 -0.111 0.000 0.875 576 Q CB 0.068 28.743 28.738 -0.104 0.000 0.927 576 Q HN 0.576 nan 8.270 nan 0.000 0.450 577 L N -0.562 120.609 121.223 -0.086 0.000 2.093 577 L HA -0.171 4.162 4.340 -0.011 0.000 0.208 577 L C 2.003 178.864 176.870 -0.015 0.000 1.085 577 L CA 0.575 55.377 54.840 -0.063 0.000 0.755 577 L CB -0.291 41.739 42.059 -0.048 0.000 0.904 577 L HN 0.322 nan 8.230 nan 0.000 0.435 578 L N -0.050 121.154 121.223 -0.031 0.000 2.083 578 L HA -0.242 4.091 4.340 -0.011 0.000 0.209 578 L C 1.982 178.873 176.870 0.034 0.000 1.083 578 L CA 1.890 56.718 54.840 -0.020 0.000 0.752 578 L CB -0.756 41.191 42.059 -0.187 0.000 0.899 578 L HN 0.284 nan 8.230 nan 0.000 0.433 579 N N -1.705 116.992 118.700 -0.005 0.000 2.084 579 N HA -0.223 4.511 4.740 -0.011 0.000 0.190 579 N C 1.922 177.515 175.510 0.138 0.000 1.030 579 N CA 1.536 54.667 53.050 0.135 0.000 0.849 579 N CB -0.143 38.365 38.487 0.035 0.000 1.012 579 N HN 0.488 nan 8.380 nan 0.000 0.423 580 C N 0.602 119.916 119.300 0.023 0.000 2.413 580 C HA -0.069 4.384 4.460 -0.011 0.000 0.277 580 C C 2.566 177.548 174.990 -0.014 0.000 1.265 580 C CA 0.378 59.364 59.018 -0.053 0.000 1.752 580 C CB -1.258 26.394 27.740 -0.146 0.000 1.998 580 C HN 0.511 nan 8.230 nan 0.000 0.489 581 L N -0.388 120.888 121.223 0.089 0.000 2.093 581 L HA -0.181 4.153 4.340 -0.011 0.000 0.208 581 L C 2.764 179.791 176.870 0.261 0.000 1.085 581 L CA 1.707 56.648 54.840 0.168 0.000 0.755 581 L CB -1.012 41.213 42.059 0.277 0.000 0.904 581 L HN 0.588 nan 8.230 nan 0.000 0.435 582 H N -0.105 119.080 119.070 0.192 0.000 2.357 582 H HA -0.128 4.421 4.556 -0.011 0.000 0.301 582 H C 2.229 177.558 175.328 0.002 0.000 1.082 582 H CA 1.798 57.884 56.048 0.063 0.000 1.342 582 H CB 0.347 30.092 29.762 -0.028 0.000 1.389 582 H HN 0.090 nan 8.280 nan 0.000 0.511 583 V N 1.534 121.374 119.914 -0.123 0.000 2.332 583 V HA -0.266 3.847 4.120 -0.011 0.000 0.248 583 V C 2.813 178.842 176.094 -0.109 0.000 1.055 583 V CA 1.834 64.023 62.300 -0.186 0.000 1.038 583 V CB -0.484 31.275 31.823 -0.106 0.000 0.651 583 V HN 0.393 nan 8.190 nan 0.000 0.450 584 I N -0.314 120.225 120.570 -0.053 0.000 2.315 584 I HA -0.209 3.955 4.170 -0.011 0.000 0.248 584 I C 2.490 178.664 176.117 0.094 0.000 1.117 584 I CA 1.617 62.950 61.300 0.055 0.000 1.404 584 I CB -0.604 37.399 38.000 0.006 0.000 1.071 584 I HN 0.323 nan 8.210 nan 0.000 0.419 585 T N 1.210 115.777 114.554 0.021 0.000 2.708 585 T HA -0.162 4.181 4.350 -0.011 0.000 0.266 585 T C 1.888 176.546 174.700 -0.069 0.000 1.037 585 T CA 1.258 63.362 62.100 0.007 0.000 1.146 585 T CB -0.286 68.608 68.868 0.044 0.000 0.865 585 T HN 0.083 nan 8.240 nan 0.000 0.435 586 L N 0.144 121.260 121.223 -0.179 0.000 2.012 586 L HA -0.070 4.263 4.340 -0.011 0.000 0.210 586 L C 2.146 178.975 176.870 -0.068 0.000 1.073 586 L CA 1.678 56.406 54.840 -0.188 0.000 0.748 586 L CB -0.921 40.955 42.059 -0.305 0.000 0.891 586 L HN 0.378 nan 8.230 nan 0.000 0.431 587 Y N -0.091 120.143 120.300 -0.110 0.000 2.181 587 Y HA -0.266 4.277 4.550 -0.011 0.000 0.288 587 Y C 2.370 178.247 175.900 -0.038 0.000 1.146 587 Y CA 1.725 59.798 58.100 -0.046 0.000 1.164 587 Y CB -0.094 38.380 38.460 0.024 0.000 0.982 587 Y HN 0.262 nan 8.280 nan 0.000 0.515 588 N N 0.375 119.006 118.700 -0.115 0.000 2.244 588 N HA -0.098 4.636 4.740 -0.011 0.000 0.183 588 N C 1.722 177.113 175.510 -0.198 0.000 1.016 588 N CA 1.215 54.140 53.050 -0.207 0.000 0.866 588 N CB -0.245 38.193 38.487 -0.082 0.000 0.980 588 N HN 0.449 nan 8.380 nan 0.000 0.430 589 R N 0.068 120.479 120.500 -0.148 0.000 2.090 589 R HA 0.142 4.475 4.340 -0.011 0.000 0.228 589 R C 2.053 178.267 176.300 -0.145 0.000 1.110 589 R CA 0.585 56.609 56.100 -0.126 0.000 0.973 589 R CB -0.123 30.115 30.300 -0.103 0.000 0.869 589 R HN 0.209 nan 8.270 nan 0.000 0.440 590 I N 0.954 121.417 120.570 -0.179 0.000 2.252 590 I HA -0.245 3.919 4.170 -0.011 0.000 0.245 590 I C 2.044 178.045 176.117 -0.194 0.000 1.102 590 I CA 1.171 62.369 61.300 -0.170 0.000 1.385 590 I CB -0.060 37.844 38.000 -0.159 0.000 1.064 590 I HN -0.011 nan 8.210 nan 0.000 0.414 591 K N 0.666 120.883 120.400 -0.305 0.000 2.209 591 K HA -0.197 4.116 4.320 -0.011 0.000 0.204 591 K C 2.019 178.518 176.600 -0.168 0.000 1.048 591 K CA 1.040 57.161 56.287 -0.276 0.000 0.940 591 K CB -0.252 31.994 32.500 -0.423 0.000 0.729 591 K HN 0.120 nan 8.250 nan 0.000 0.451 592 K N 1.923 122.231 120.400 -0.153 0.000 2.007 592 K HA -0.081 4.232 4.320 -0.011 0.000 0.206 592 K C 0.145 176.699 176.600 -0.078 0.000 1.047 592 K CA 1.325 57.550 56.287 -0.104 0.000 0.937 592 K CB 0.227 32.669 32.500 -0.096 0.000 0.718 592 K HN 0.110 nan 8.250 nan 0.000 0.438 593 E N 0.677 120.830 120.200 -0.078 0.000 2.683 593 E HA 0.180 4.523 4.350 -0.011 0.000 0.224 593 E C -2.301 174.265 176.600 -0.056 0.000 1.046 593 E CA -1.772 54.596 56.400 -0.054 0.000 0.811 593 E CB 1.513 31.188 29.700 -0.042 0.000 1.296 593 E HN 0.115 nan 8.360 nan 0.000 0.421 594 P HA -0.158 nan 4.420 nan 0.000 0.216 594 P C 0.294 177.579 177.300 -0.026 0.000 1.150 594 P CA 1.226 64.297 63.100 -0.048 0.000 0.837 594 P CB 0.161 31.837 31.700 -0.040 0.000 0.786 595 N N -1.113 117.580 118.700 -0.012 0.000 2.313 595 N HA 0.020 4.753 4.740 -0.011 0.000 0.207 595 N C 0.469 175.996 175.510 0.027 0.000 1.141 595 N CA -0.015 53.040 53.050 0.010 0.000 0.830 595 N CB 0.002 38.496 38.487 0.010 0.000 1.008 595 N HN 0.058 nan 8.380 nan 0.000 0.481 596 K N 1.027 121.436 120.400 0.015 0.000 2.130 596 K HA 0.172 4.486 4.320 -0.011 0.000 0.268 596 K C -0.939 175.698 176.600 0.062 0.000 0.983 596 K CA -0.604 55.708 56.287 0.041 0.000 0.893 596 K CB 0.762 33.267 32.500 0.009 0.000 1.066 596 K HN -0.044 nan 8.250 nan 0.000 0.450 597 F N 4.288 124.227 119.950 -0.019 0.000 2.443 597 F HA 0.276 4.796 4.527 -0.011 0.000 0.353 597 F C -0.466 175.322 175.800 -0.020 0.000 1.101 597 F CA -0.144 57.846 58.000 -0.016 0.000 1.226 597 F CB 0.743 39.736 39.000 -0.012 0.000 1.140 597 F HN 0.192 nan 8.300 nan 0.000 0.557 598 V N 3.893 123.157 119.914 -1.084 0.000 2.971 598 V HA 0.514 4.627 4.120 -0.011 0.000 0.309 598 V C -0.963 174.508 176.094 -1.037 0.000 1.130 598 V CA -1.203 60.642 62.300 -0.759 0.000 0.964 598 V CB 0.940 32.539 31.823 -0.373 0.000 1.029 598 V HN 0.605 nan 8.190 nan 0.000 0.427 599 V N 4.807 124.403 119.914 -0.530 0.000 2.458 599 V HA 0.199 4.312 4.120 -0.011 0.000 0.287 599 V C -1.816 174.124 176.094 -0.257 0.000 1.009 599 V CA -0.422 61.711 62.300 -0.279 0.000 1.091 599 V CB 0.399 32.183 31.823 -0.065 0.000 0.960 599 V HN 0.911 nan 8.190 nan 0.000 0.476 600 P HA 0.281 nan 4.420 nan 0.000 0.268 600 P C -0.351 176.867 177.300 -0.137 0.000 1.204 600 P CA 0.071 63.087 63.100 -0.140 0.000 0.768 600 P CB 0.500 32.162 31.700 -0.062 0.000 0.842 601 R N 1.141 121.570 120.500 -0.119 0.000 2.673 601 R HA 0.550 4.883 4.340 -0.011 0.000 0.281 601 R C -0.862 175.400 176.300 -0.063 0.000 0.991 601 R CA -0.601 55.430 56.100 -0.115 0.000 0.896 601 R CB 2.050 32.267 30.300 -0.139 0.000 1.201 601 R HN 0.287 nan 8.270 nan 0.000 0.457 602 T N 2.007 116.545 114.554 -0.028 0.000 2.977 602 T HA 0.149 4.492 4.350 -0.011 0.000 0.346 602 T C -0.626 173.999 174.700 -0.126 0.000 1.140 602 T CA -0.476 61.578 62.100 -0.076 0.000 1.040 602 T CB 0.960 69.765 68.868 -0.104 0.000 1.046 602 T HN 0.338 nan 8.240 nan 0.000 0.494 603 V N 5.507 125.352 119.914 -0.115 0.000 2.406 603 V HA 0.662 4.775 4.120 -0.011 0.000 0.272 603 V C -0.491 175.526 176.094 -0.128 0.000 1.043 603 V CA -0.544 61.690 62.300 -0.111 0.000 0.915 603 V CB 0.479 32.256 31.823 -0.077 0.000 0.988 603 V HN 0.828 nan 8.190 nan 0.000 0.466 604 M N 7.668 127.178 119.600 -0.149 0.000 2.227 604 M HA 0.607 5.080 4.480 -0.011 0.000 0.335 604 M C -0.875 175.325 176.300 -0.167 0.000 1.053 604 M CA -0.227 54.977 55.300 -0.159 0.000 0.973 604 M CB 2.002 34.497 32.600 -0.175 0.000 1.623 604 M HN 0.494 nan 8.290 nan 0.000 0.434 605 I N 1.800 122.268 120.570 -0.171 0.000 2.465 605 I HA 0.834 4.997 4.170 -0.011 0.000 0.291 605 I C 0.068 175.939 176.117 -0.410 0.000 1.014 605 I CA -0.634 60.558 61.300 -0.180 0.000 1.093 605 I CB 2.261 40.245 38.000 -0.027 0.000 1.267 605 I HN 0.820 nan 8.210 nan 0.000 0.431 606 G N 3.006 111.524 108.800 -0.471 0.000 2.696 606 G HA2 0.811 4.764 3.960 -0.011 0.000 0.295 606 G HA3 0.811 4.764 3.960 -0.011 0.000 0.295 606 G C -1.056 173.606 174.900 -0.395 0.000 1.398 606 G CA -0.754 43.923 45.100 -0.705 0.000 0.920 606 G HN 0.979 nan 8.290 nan 0.000 0.492 607 G N -0.221 108.490 108.800 -0.150 0.000 2.368 607 G HA2 0.434 4.387 3.960 -0.011 0.000 0.303 607 G HA3 0.434 4.387 3.960 -0.011 0.000 0.303 607 G C -1.335 173.708 174.900 0.239 0.000 1.590 607 G CA -1.029 44.128 45.100 0.096 0.000 0.938 607 G HN 0.608 nan 8.290 nan 0.000 0.675 608 K N -0.163 120.367 120.400 0.216 0.000 2.098 608 K HA 0.769 5.082 4.320 -0.011 0.000 0.258 608 K C 0.245 176.974 176.600 0.216 0.000 0.973 608 K CA -0.201 56.228 56.287 0.238 0.000 0.898 608 K CB 2.013 34.556 32.500 0.071 0.000 1.057 608 K HN 0.864 nan 8.250 nan 0.000 0.447 609 A N 1.317 124.303 122.820 0.276 0.000 2.324 609 A HA 0.663 4.976 4.320 -0.011 0.000 0.330 609 A C -0.584 177.187 177.584 0.312 0.000 1.165 609 A CA -0.764 51.375 52.037 0.170 0.000 0.813 609 A CB 1.111 20.142 19.000 0.052 0.000 1.197 609 A HN 0.764 nan 8.150 nan 0.000 0.484 610 A N 3.495 126.490 122.820 0.291 0.000 2.520 610 A HA 0.485 4.799 4.320 -0.011 0.000 0.245 610 A C -1.366 176.348 177.584 0.217 0.000 1.072 610 A CA -0.879 51.345 52.037 0.312 0.000 0.761 610 A CB -0.378 18.802 19.000 0.299 0.000 1.004 610 A HN 0.594 nan 8.150 nan 0.000 0.499 611 P HA -0.189 nan 4.420 nan 0.000 0.218 611 P C 1.350 178.680 177.300 0.051 0.000 1.152 611 P CA 2.165 65.244 63.100 -0.035 0.000 0.857 611 P CB 0.194 31.812 31.700 -0.136 0.000 0.787 612 G N -3.254 105.612 108.800 0.110 0.000 3.088 612 G HA2 -0.091 3.862 3.960 -0.011 0.000 0.217 612 G HA3 -0.091 3.862 3.960 -0.011 0.000 0.217 612 G C -0.076 174.948 174.900 0.205 0.000 1.159 612 G CA -0.170 45.004 45.100 0.124 0.000 0.760 612 G HN 0.308 nan 8.290 nan 0.000 0.550 613 Y N 1.714 122.059 120.300 0.076 0.000 2.594 613 Y HA 0.166 4.709 4.550 -0.011 0.000 0.344 613 Y C 1.800 177.749 175.900 0.082 0.000 1.185 613 Y CA -1.046 57.098 58.100 0.074 0.000 1.565 613 Y CB 0.193 38.682 38.460 0.047 0.000 1.415 613 Y HN 0.347 nan 8.280 nan 0.000 0.488 614 H N 3.374 122.595 119.070 0.253 0.000 2.265 614 H HA -0.280 4.269 4.556 -0.011 0.000 0.295 614 H C 2.013 177.377 175.328 0.061 0.000 1.084 614 H CA 2.828 58.952 56.048 0.127 0.000 1.261 614 H CB 0.153 29.976 29.762 0.102 0.000 1.360 614 H HN 0.689 nan 8.280 nan 0.000 0.487 615 M N 0.563 120.129 119.600 -0.057 0.000 2.082 615 M HA -0.120 4.353 4.480 -0.011 0.000 0.258 615 M C 2.440 178.491 176.300 -0.414 0.000 1.069 615 M CA 2.048 57.223 55.300 -0.208 0.000 1.102 615 M CB -1.110 31.505 32.600 0.025 0.000 1.336 615 M HN 0.428 nan 8.290 nan 0.000 0.404 616 A N -0.680 121.658 122.820 -0.804 0.000 1.940 616 A HA -0.214 4.099 4.320 -0.011 0.000 0.219 616 A C 2.200 179.571 177.584 -0.354 0.000 1.176 616 A CA 2.004 53.588 52.037 -0.755 0.000 0.631 616 A CB -0.673 17.651 19.000 -1.128 0.000 0.814 616 A HN 0.620 nan 8.150 nan 0.000 0.446 617 K N -1.296 118.961 120.400 -0.239 0.000 2.228 617 K HA 0.061 4.374 4.320 -0.011 0.000 0.202 617 K C 1.780 178.332 176.600 -0.081 0.000 1.051 617 K CA 0.827 57.062 56.287 -0.087 0.000 0.960 617 K CB -0.113 32.410 32.500 0.037 0.000 0.743 617 K HN 0.322 nan 8.250 nan 0.000 0.458 618 M N 0.430 119.927 119.600 -0.172 0.000 2.254 618 M HA -0.023 4.450 4.480 -0.011 0.000 0.265 618 M C 1.971 178.206 176.300 -0.109 0.000 1.066 618 M CA 1.339 56.578 55.300 -0.101 0.000 1.123 618 M CB -0.377 32.120 32.600 -0.172 0.000 1.388 618 M HN 0.117 nan 8.290 nan 0.000 0.425 619 I N -0.480 119.980 120.570 -0.183 0.000 2.439 619 I HA -0.258 3.905 4.170 -0.011 0.000 0.251 619 I C 2.210 178.177 176.117 -0.251 0.000 1.139 619 I CA 0.852 62.030 61.300 -0.204 0.000 1.438 619 I CB -0.218 37.659 38.000 -0.205 0.000 1.085 619 I HN 0.152 nan 8.210 nan 0.000 0.427 620 I N 0.741 121.140 120.570 -0.284 0.000 2.315 620 I HA -0.277 3.886 4.170 -0.011 0.000 0.248 620 I C 2.552 178.359 176.117 -0.517 0.000 1.117 620 I CA 1.141 62.165 61.300 -0.459 0.000 1.404 620 I CB -0.205 37.525 38.000 -0.451 0.000 1.071 620 I HN 0.139 nan 8.210 nan 0.000 0.419 621 K N 1.453 121.586 120.400 -0.444 0.000 2.097 621 K HA -0.123 4.190 4.320 -0.011 0.000 0.205 621 K C 2.002 178.443 176.600 -0.264 0.000 1.050 621 K CA 1.368 57.323 56.287 -0.553 0.000 0.938 621 K CB -0.442 31.505 32.500 -0.922 0.000 0.718 621 K HN 0.219 nan 8.250 nan 0.000 0.442 622 L N 0.357 121.441 121.223 -0.233 0.000 2.017 622 L HA -0.144 4.190 4.340 -0.011 0.000 0.208 622 L C 2.153 178.775 176.870 -0.412 0.000 1.073 622 L CA 1.640 56.172 54.840 -0.512 0.000 0.745 622 L CB -0.303 41.381 42.059 -0.624 0.000 0.894 622 L HN 0.246 nan 8.230 nan 0.000 0.432 623 I N -0.056 120.314 120.570 -0.333 0.000 2.163 623 I HA -0.355 3.808 4.170 -0.011 0.000 0.243 623 I C 2.620 178.612 176.117 -0.207 0.000 1.085 623 I CA 2.036 63.189 61.300 -0.245 0.000 1.347 623 I CB -0.660 37.251 38.000 -0.149 0.000 1.044 623 I HN 0.445 nan 8.210 nan 0.000 0.408 624 T N -0.937 113.464 114.554 -0.255 0.000 2.867 624 T HA -0.032 4.311 4.350 -0.011 0.000 0.268 624 T C 1.952 176.583 174.700 -0.115 0.000 1.057 624 T CA 0.887 62.881 62.100 -0.177 0.000 1.136 624 T CB -0.392 68.330 68.868 -0.243 0.000 0.874 624 T HN 0.346 nan 8.240 nan 0.000 0.466 625 A N 1.244 123.992 122.820 -0.120 0.000 1.969 625 A HA 0.189 4.502 4.320 -0.011 0.000 0.218 625 A C 2.316 179.915 177.584 0.025 0.000 1.169 625 A CA 1.074 53.113 52.037 0.004 0.000 0.635 625 A CB -0.748 18.345 19.000 0.154 0.000 0.810 625 A HN 0.580 nan 8.150 nan 0.000 0.445 626 I N -0.353 120.123 120.570 -0.157 0.000 2.202 626 I HA -0.155 4.009 4.170 -0.011 0.000 0.242 626 I C 2.687 178.759 176.117 -0.074 0.000 1.091 626 I CA 1.139 62.322 61.300 -0.195 0.000 1.368 626 I CB -0.498 37.264 38.000 -0.397 0.000 1.058 626 I HN 0.368 nan 8.210 nan 0.000 0.410 627 G N 0.197 108.944 108.800 -0.088 0.000 2.450 627 G HA2 -0.249 3.705 3.960 -0.011 0.000 0.220 627 G HA3 -0.249 3.705 3.960 -0.011 0.000 0.220 627 G C 1.226 176.099 174.900 -0.045 0.000 1.130 627 G CA 0.935 45.988 45.100 -0.078 0.000 0.760 627 G HN 0.281 nan 8.290 nan 0.000 0.557 628 D N -0.073 120.349 120.400 0.037 0.000 2.178 628 D HA -0.053 4.580 4.640 -0.011 0.000 0.202 628 D C 2.693 179.097 176.300 0.172 0.000 0.974 628 D CA 0.504 54.598 54.000 0.156 0.000 0.841 628 D CB -0.079 40.785 40.800 0.106 0.000 0.953 628 D HN 0.253 nan 8.370 nan 0.000 0.478 629 V N 0.066 120.018 119.914 0.063 0.000 2.300 629 V HA -0.128 3.985 4.120 -0.011 0.000 0.241 629 V C 2.572 178.608 176.094 -0.097 0.000 1.034 629 V CA 0.731 63.019 62.300 -0.020 0.000 1.021 629 V CB -0.342 31.449 31.823 -0.053 0.000 0.662 629 V HN 0.020 nan 8.190 nan 0.000 0.458 630 V N 1.056 120.844 119.914 -0.209 0.000 2.295 630 V HA -0.229 3.884 4.120 -0.011 0.000 0.246 630 V C 2.135 178.162 176.094 -0.113 0.000 1.049 630 V CA 2.133 64.299 62.300 -0.223 0.000 1.024 630 V CB -0.913 30.778 31.823 -0.220 0.000 0.648 630 V HN 0.576 nan 8.190 nan 0.000 0.447 631 N N -0.348 118.220 118.700 -0.220 0.000 2.573 631 N HA -0.097 4.636 4.740 -0.011 0.000 0.187 631 N C 1.078 176.262 175.510 -0.544 0.000 1.107 631 N CA 0.923 53.748 53.050 -0.375 0.000 0.918 631 N CB -0.302 37.892 38.487 -0.488 0.000 0.966 631 N HN 0.712 nan 8.380 nan 0.000 0.448 632 H N -1.731 117.348 119.070 0.015 0.000 2.785 632 H HA 0.206 4.756 4.556 -0.011 0.000 0.268 632 H C -0.587 174.763 175.328 0.037 0.000 1.153 632 H CA -0.527 55.532 56.048 0.020 0.000 1.111 632 H CB 0.706 30.469 29.762 0.003 0.000 1.633 632 H HN -0.040 nan 8.280 nan 0.000 0.576 633 D N 1.790 122.262 120.400 0.119 0.000 2.316 633 D HA 0.053 4.686 4.640 -0.011 0.000 0.245 633 D C -1.608 174.756 176.300 0.106 0.000 1.171 633 D CA -2.133 51.956 54.000 0.148 0.000 0.856 633 D CB 1.737 42.702 40.800 0.275 0.000 1.090 633 D HN 0.109 nan 8.370 nan 0.000 0.476 634 P HA -0.110 nan 4.420 nan 0.000 0.218 634 P C 1.569 178.897 177.300 0.046 0.000 1.149 634 P CA 0.321 63.456 63.100 0.059 0.000 0.817 634 P CB 0.458 32.187 31.700 0.048 0.000 0.785 635 V N -0.556 119.386 119.914 0.046 0.000 2.515 635 V HA -0.154 3.960 4.120 -0.011 0.000 0.250 635 V C 2.427 178.532 176.094 0.018 0.000 1.058 635 V CA 1.436 63.749 62.300 0.022 0.000 1.064 635 V CB -0.883 30.943 31.823 0.004 0.000 0.675 635 V HN -0.026 nan 8.190 nan 0.000 0.461 636 V N -0.248 119.695 119.914 0.048 0.000 2.453 636 V HA 0.100 4.213 4.120 -0.011 0.000 0.247 636 V C 1.725 177.833 176.094 0.024 0.000 1.048 636 V CA 1.393 63.720 62.300 0.046 0.000 1.049 636 V CB -1.163 30.735 31.823 0.124 0.000 0.672 636 V HN 0.735 nan 8.190 nan 0.000 0.457 637 G N 1.511 110.330 108.800 0.032 0.000 2.566 637 G HA2 -0.390 3.563 3.960 -0.011 0.000 0.280 637 G HA3 -0.390 3.563 3.960 -0.011 0.000 0.280 637 G C 0.200 175.112 174.900 0.021 0.000 1.225 637 G CA 0.519 45.635 45.100 0.026 0.000 0.966 637 G HN 0.727 nan 8.290 nan 0.000 0.560 638 D N -0.184 120.230 120.400 0.022 0.000 2.395 638 D HA 0.320 4.953 4.640 -0.011 0.000 0.226 638 D C 1.840 178.138 176.300 -0.003 0.000 1.146 638 D CA 0.209 54.221 54.000 0.021 0.000 0.830 638 D CB 0.160 40.988 40.800 0.046 0.000 0.958 638 D HN 0.558 nan 8.370 nan 0.000 0.501 639 R N -0.715 119.772 120.500 -0.022 0.000 2.153 639 R HA 0.251 4.584 4.340 -0.011 0.000 0.218 639 R C -0.129 176.131 176.300 -0.066 0.000 1.072 639 R CA 0.364 56.427 56.100 -0.063 0.000 0.990 639 R CB 0.158 30.402 30.300 -0.092 0.000 0.889 639 R HN 0.169 nan 8.270 nan 0.000 0.452 640 L N 0.660 121.861 121.223 -0.037 0.000 2.476 640 L HA 0.418 4.751 4.340 -0.011 0.000 0.269 640 L C -1.537 175.308 176.870 -0.041 0.000 0.965 640 L CA -0.565 54.251 54.840 -0.040 0.000 0.845 640 L CB 1.791 43.842 42.059 -0.013 0.000 1.259 640 L HN -0.129 nan 8.230 nan 0.000 0.403 641 R N 4.135 124.598 120.500 -0.062 0.000 2.532 641 R HA 0.656 4.989 4.340 -0.011 0.000 0.297 641 R C -1.563 174.682 176.300 -0.092 0.000 0.984 641 R CA -0.711 55.342 56.100 -0.078 0.000 0.884 641 R CB 2.268 32.522 30.300 -0.076 0.000 1.182 641 R HN 0.401 nan 8.270 nan 0.000 0.442 642 V N 5.560 125.416 119.914 -0.097 0.000 2.328 642 V HA 0.427 4.541 4.120 -0.011 0.000 0.278 642 V C -0.094 175.955 176.094 -0.075 0.000 1.021 642 V CA -0.632 61.613 62.300 -0.091 0.000 0.838 642 V CB 1.363 33.128 31.823 -0.098 0.000 0.999 642 V HN 0.518 nan 8.190 nan 0.000 0.447 643 I N 5.020 125.545 120.570 -0.075 0.000 2.465 643 I HA 0.441 4.605 4.170 -0.011 0.000 0.291 643 I C -0.642 175.456 176.117 -0.032 0.000 1.014 643 I CA -0.365 60.900 61.300 -0.059 0.000 1.093 643 I CB 1.851 39.788 38.000 -0.105 0.000 1.267 643 I HN 0.546 nan 8.210 nan 0.000 0.431 644 F N 7.332 127.214 119.950 -0.115 0.000 2.385 644 F HA 0.470 4.991 4.527 -0.011 0.000 0.360 644 F C -0.652 175.079 175.800 -0.115 0.000 1.122 644 F CA -0.785 57.149 58.000 -0.110 0.000 1.090 644 F CB 0.643 39.582 39.000 -0.102 0.000 1.150 644 F HN 0.134 nan 8.300 nan 0.000 0.472 645 L N 6.011 126.746 121.223 -0.813 0.000 2.407 645 L HA 0.133 4.467 4.340 -0.011 0.000 0.282 645 L C 0.355 176.862 176.870 -0.606 0.000 1.110 645 L CA 0.187 54.690 54.840 -0.561 0.000 0.863 645 L CB -0.114 41.742 42.059 -0.339 0.000 1.207 645 L HN 0.622 nan 8.230 nan 0.000 0.454 646 E N 3.260 123.252 120.200 -0.347 0.000 2.414 646 E HA -0.062 4.281 4.350 -0.011 0.000 0.263 646 E C 0.547 177.178 176.600 0.050 0.000 1.000 646 E CA -0.088 56.275 56.400 -0.062 0.000 0.914 646 E CB 0.250 29.929 29.700 -0.036 0.000 0.948 646 E HN 0.519 nan 8.360 nan 0.000 0.444 647 N N 2.655 121.450 118.700 0.158 0.000 2.714 647 N HA -0.285 4.448 4.740 -0.011 0.000 0.253 647 N C -1.571 174.030 175.510 0.152 0.000 1.024 647 N CA 0.523 53.676 53.050 0.171 0.000 0.726 647 N CB -1.393 37.214 38.487 0.200 0.000 0.908 647 N HN 0.453 nan 8.380 nan 0.000 0.542 648 Y N 1.513 121.812 120.300 -0.002 0.000 2.632 648 Y HA 0.174 4.718 4.550 -0.011 0.000 0.329 648 Y C 1.158 177.075 175.900 0.029 0.000 1.174 648 Y CA 0.483 58.574 58.100 -0.016 0.000 1.469 648 Y CB 0.316 38.738 38.460 -0.063 0.000 1.242 648 Y HN 0.384 nan 8.280 nan 0.000 0.540 649 R N 2.462 122.645 120.500 -0.528 0.000 2.762 649 R HA 0.488 4.821 4.340 -0.011 0.000 0.271 649 R C -0.271 175.693 176.300 -0.559 0.000 1.038 649 R CA -0.644 55.209 56.100 -0.411 0.000 0.906 649 R CB 0.343 30.594 30.300 -0.081 0.000 1.259 649 R HN 0.351 nan 8.270 nan 0.000 0.457 650 V N 1.079 120.703 119.914 -0.483 0.000 2.255 650 V HA -0.299 3.814 4.120 -0.011 0.000 0.247 650 V C 2.587 178.566 176.094 -0.192 0.000 1.051 650 V CA 2.876 64.956 62.300 -0.366 0.000 1.018 650 V CB -0.832 30.748 31.823 -0.406 0.000 0.641 650 V HN 0.950 nan 8.190 nan 0.000 0.445 651 S N 0.068 115.676 115.700 -0.153 0.000 2.419 651 S HA -0.186 4.278 4.470 -0.011 0.000 0.235 651 S C 1.908 176.461 174.600 -0.077 0.000 1.019 651 S CA 1.740 59.876 58.200 -0.107 0.000 0.982 651 S CB -0.513 62.652 63.200 -0.058 0.000 0.789 651 S HN 0.393 nan 8.310 nan 0.000 0.490 652 L N 1.808 122.990 121.223 -0.069 0.000 2.179 652 L HA 0.392 4.725 4.340 -0.011 0.000 0.208 652 L C 2.617 179.491 176.870 0.006 0.000 1.096 652 L CA 1.301 56.139 54.840 -0.002 0.000 0.779 652 L CB -1.350 40.761 42.059 0.088 0.000 0.922 652 L HN 0.335 nan 8.230 nan 0.000 0.443 653 A N -0.636 122.168 122.820 -0.028 0.000 1.933 653 A HA -0.221 4.093 4.320 -0.011 0.000 0.218 653 A C 2.120 179.753 177.584 0.082 0.000 1.175 653 A CA 1.717 53.809 52.037 0.091 0.000 0.628 653 A CB -0.600 18.434 19.000 0.057 0.000 0.814 653 A HN 0.582 nan 8.150 nan 0.000 0.444 654 E N -0.356 119.882 120.200 0.064 0.000 2.265 654 E HA -0.173 4.171 4.350 -0.011 0.000 0.196 654 E C 1.850 178.414 176.600 -0.060 0.000 0.996 654 E CA 1.209 57.607 56.400 -0.003 0.000 0.832 654 E CB -0.039 29.570 29.700 -0.151 0.000 0.756 654 E HN 0.634 nan 8.360 nan 0.000 0.491 655 K N -0.102 120.241 120.400 -0.095 0.000 2.121 655 K HA -0.013 4.300 4.320 -0.011 0.000 0.203 655 K C 2.235 178.634 176.600 -0.334 0.000 1.041 655 K CA 0.927 57.135 56.287 -0.132 0.000 0.969 655 K CB 0.190 32.613 32.500 -0.129 0.000 0.799 655 K HN -0.016 nan 8.250 nan 0.000 0.456 656 V N 1.612 121.225 119.914 -0.503 0.000 2.270 656 V HA -0.219 3.894 4.120 -0.011 0.000 0.245 656 V C 2.291 178.130 176.094 -0.424 0.000 1.043 656 V CA 1.447 63.251 62.300 -0.827 0.000 1.014 656 V CB -0.823 30.673 31.823 -0.545 0.000 0.645 656 V HN 0.195 nan 8.190 nan 0.000 0.447 657 I N 0.900 121.269 120.570 -0.335 0.000 2.113 657 I HA -0.194 3.969 4.170 -0.011 0.000 0.242 657 I C -0.025 175.976 176.117 -0.194 0.000 1.064 657 I CA 2.064 63.101 61.300 -0.439 0.000 1.320 657 I CB -1.727 35.889 38.000 -0.639 0.000 1.028 657 I HN 0.358 nan 8.210 nan 0.000 0.406 658 P HA -0.126 nan 4.420 nan 0.000 0.223 658 P C 0.827 178.127 177.300 -0.000 0.000 1.144 658 P CA 1.381 64.457 63.100 -0.040 0.000 0.783 658 P CB 0.005 31.689 31.700 -0.027 0.000 0.771 659 A N -1.506 121.302 122.820 -0.021 0.000 2.348 659 A HA 0.533 4.846 4.320 -0.011 0.000 0.224 659 A C 1.100 178.807 177.584 0.205 0.000 1.227 659 A CA 0.032 52.118 52.037 0.082 0.000 0.885 659 A CB -0.489 18.579 19.000 0.114 0.000 0.933 659 A HN 0.192 nan 8.150 nan 0.000 0.506 660 A N -0.291 122.640 122.820 0.185 0.000 2.316 660 A HA 0.519 4.832 4.320 -0.011 0.000 0.284 660 A C 0.306 178.045 177.584 0.258 0.000 1.115 660 A CA -0.213 51.996 52.037 0.286 0.000 0.812 660 A CB 0.440 19.693 19.000 0.422 0.000 1.064 660 A HN 0.232 nan 8.150 nan 0.000 0.489 661 D N 0.165 120.711 120.400 0.243 0.000 2.525 661 D HA 0.132 4.765 4.640 -0.011 0.000 0.248 661 D C -0.063 176.431 176.300 0.323 0.000 1.000 661 D CA 0.677 54.863 54.000 0.311 0.000 0.923 661 D CB 0.324 41.234 40.800 0.184 0.000 1.101 661 D HN 0.343 nan 8.370 nan 0.000 0.493 662 L N 1.423 122.720 121.223 0.122 0.000 2.349 662 L HA 0.287 4.620 4.340 -0.011 0.000 0.278 662 L C -0.729 175.999 176.870 -0.236 0.000 0.996 662 L CA -0.275 54.550 54.840 -0.025 0.000 0.825 662 L CB 1.914 43.935 42.059 -0.063 0.000 1.243 662 L HN -0.158 nan 8.230 nan 0.000 0.412 663 S N 4.608 120.069 115.700 -0.398 0.000 2.438 663 S HA 0.331 4.794 4.470 -0.011 0.000 0.293 663 S C -0.335 173.970 174.600 -0.492 0.000 1.141 663 S CA -0.673 57.034 58.200 -0.821 0.000 1.080 663 S CB 0.764 63.334 63.200 -1.049 0.000 0.978 663 S HN 0.571 nan 8.310 nan 0.000 0.479 664 E N 4.126 124.065 120.200 -0.434 0.000 2.089 664 E HA 0.202 4.545 4.350 -0.011 0.000 0.284 664 E C -0.506 175.985 176.600 -0.182 0.000 1.023 664 E CA -0.395 55.878 56.400 -0.213 0.000 0.819 664 E CB 0.982 30.592 29.700 -0.149 0.000 1.076 664 E HN 0.625 nan 8.360 nan 0.000 0.396 665 Q N 2.828 122.570 119.800 -0.096 0.000 2.943 665 Q HA 0.253 4.587 4.340 -0.011 0.000 0.327 665 Q C 0.595 176.574 176.000 -0.035 0.000 0.937 665 Q CA -0.133 55.626 55.803 -0.073 0.000 0.914 665 Q CB 0.221 28.927 28.738 -0.052 0.000 1.339 665 Q HN 0.610 nan 8.270 nan 0.000 0.417 666 I N -1.406 119.135 120.570 -0.048 0.000 3.626 666 I HA 0.273 4.436 4.170 -0.011 0.000 0.345 666 I C 0.321 176.381 176.117 -0.095 0.000 1.502 666 I CA -0.580 60.694 61.300 -0.042 0.000 1.135 666 I CB 0.092 38.072 38.000 -0.033 0.000 1.456 666 I HN -0.031 nan 8.210 nan 0.000 0.460 667 S N 0.445 116.091 115.700 -0.090 0.000 2.593 667 S HA 0.253 4.716 4.470 -0.011 0.000 0.269 667 S C 0.529 175.113 174.600 -0.027 0.000 1.334 667 S CA -0.361 57.806 58.200 -0.056 0.000 1.015 667 S CB 0.680 63.893 63.200 0.021 0.000 0.912 667 S HN 0.409 nan 8.310 nan 0.000 0.541 668 T N 2.447 117.027 114.554 0.042 0.000 2.888 668 T HA 0.423 4.766 4.350 -0.011 0.000 0.301 668 T C 0.691 175.408 174.700 0.029 0.000 1.001 668 T CA 0.164 62.296 62.100 0.053 0.000 1.147 668 T CB 0.104 69.079 68.868 0.179 0.000 0.931 668 T HN 0.984 nan 8.240 nan 0.000 0.541 669 A N 2.781 125.585 122.820 -0.027 0.000 2.580 669 A HA 0.430 4.743 4.320 -0.011 0.000 0.244 669 A C 1.657 179.238 177.584 -0.005 0.000 1.045 669 A CA 0.392 52.408 52.037 -0.035 0.000 0.761 669 A CB -0.945 18.021 19.000 -0.056 0.000 0.962 669 A HN 1.653 nan 8.150 nan 0.000 0.512 670 G N 1.422 110.219 108.800 -0.005 0.000 2.194 670 G HA2 -0.257 3.696 3.960 -0.011 0.000 0.236 670 G HA3 -0.257 3.696 3.960 -0.011 0.000 0.236 670 G C 0.997 175.896 174.900 -0.002 0.000 0.987 670 G CA 1.099 46.199 45.100 -0.000 0.000 0.635 670 G HN 2.016 nan 8.290 nan 0.000 0.520 671 T N -2.135 112.424 114.554 0.007 0.000 3.034 671 T HA 0.381 4.724 4.350 -0.011 0.000 0.248 671 T C 0.822 175.415 174.700 -0.178 0.000 1.040 671 T CA 1.189 63.241 62.100 -0.081 0.000 1.107 671 T CB 0.467 69.336 68.868 0.001 0.000 0.932 671 T HN 0.309 nan 8.240 nan 0.000 0.474 672 E N 1.447 121.663 120.200 0.027 0.000 1.996 672 E HA 0.652 4.995 4.350 -0.011 0.000 0.280 672 E C 1.217 177.784 176.600 -0.056 0.000 1.092 672 E CA 0.091 56.543 56.400 0.087 0.000 0.862 672 E CB 0.686 30.477 29.700 0.152 0.000 1.066 672 E HN 0.341 nan 8.360 nan 0.000 0.396 673 A N 3.457 126.163 122.820 -0.190 0.000 1.915 673 A HA -0.270 4.043 4.320 -0.011 0.000 0.220 673 A C 1.984 179.437 177.584 -0.218 0.000 1.198 673 A CA 2.465 54.242 52.037 -0.432 0.000 0.647 673 A CB -0.319 18.211 19.000 -0.784 0.000 0.825 673 A HN 0.625 nan 8.150 nan 0.000 0.456 674 S N -4.325 111.310 115.700 -0.108 0.000 4.428 674 S HA 0.447 4.910 4.470 -0.011 0.000 0.199 674 S C 0.645 175.232 174.600 -0.021 0.000 1.156 674 S CA 1.343 59.523 58.200 -0.034 0.000 1.134 674 S CB -0.151 63.049 63.200 -0.000 0.000 1.531 674 S HN 2.360 nan 8.310 nan 0.000 0.551 675 G N 0.328 109.120 108.800 -0.013 0.000 2.721 675 G HA2 -0.004 3.949 3.960 -0.011 0.000 0.686 675 G HA3 -0.004 3.949 3.960 -0.011 0.000 0.686 675 G C 0.217 175.096 174.900 -0.034 0.000 1.236 675 G CA 0.446 45.535 45.100 -0.018 0.000 0.786 675 G HN 1.376 nan 8.290 nan 0.000 0.616 676 T N -1.831 112.690 114.554 -0.056 0.000 3.029 676 T HA 0.380 4.723 4.350 -0.011 0.000 0.256 676 T C 2.339 176.941 174.700 -0.164 0.000 0.914 676 T CA 1.229 63.269 62.100 -0.100 0.000 0.880 676 T CB 0.355 69.157 68.868 -0.111 0.000 1.246 676 T HN 1.865 nan 8.240 nan 0.000 0.523 677 G N 3.151 111.881 108.800 -0.118 0.000 2.422 677 G HA2 -0.248 3.706 3.960 -0.011 0.000 0.218 677 G HA3 -0.248 3.706 3.960 -0.011 0.000 0.218 677 G C 1.475 176.422 174.900 0.079 0.000 1.146 677 G CA 1.134 46.179 45.100 -0.091 0.000 0.769 677 G HN 0.813 nan 8.290 nan 0.000 0.547 678 N N 0.284 119.019 118.700 0.058 0.000 2.104 678 N HA -0.163 4.571 4.740 -0.011 0.000 0.190 678 N C 2.199 177.723 175.510 0.024 0.000 1.024 678 N CA 1.407 54.497 53.050 0.067 0.000 0.853 678 N CB -0.383 38.091 38.487 -0.021 0.000 1.008 678 N HN 0.346 nan 8.380 nan 0.000 0.424 679 M N 0.615 120.162 119.600 -0.088 0.000 2.296 679 M HA -0.002 4.471 4.480 -0.011 0.000 0.265 679 M C 1.893 178.154 176.300 -0.065 0.000 1.064 679 M CA 1.312 56.546 55.300 -0.110 0.000 1.109 679 M CB -0.029 32.512 32.600 -0.098 0.000 1.396 679 M HN 0.108 nan 8.290 nan 0.000 0.430 680 K N -0.084 120.214 120.400 -0.170 0.000 2.097 680 K HA -0.054 4.259 4.320 -0.011 0.000 0.205 680 K C 1.627 178.111 176.600 -0.193 0.000 1.050 680 K CA 1.207 57.322 56.287 -0.287 0.000 0.938 680 K CB -0.102 32.008 32.500 -0.649 0.000 0.718 680 K HN 0.171 nan 8.250 nan 0.000 0.442 681 F N 0.967 120.854 119.950 -0.105 0.000 2.163 681 F HA -0.053 4.467 4.527 -0.012 0.000 0.297 681 F C 2.500 178.277 175.800 -0.038 0.000 1.094 681 F CA 1.008 58.968 58.000 -0.067 0.000 1.290 681 F CB -0.248 38.700 39.000 -0.086 0.000 1.017 681 F HN -0.043 nan 8.300 nan 0.000 0.483 682 M N -0.315 119.378 119.600 0.156 0.000 2.108 682 M HA -0.213 4.260 4.480 -0.011 0.000 0.261 682 M C 2.100 178.459 176.300 0.098 0.000 1.066 682 M CA 1.637 56.998 55.300 0.101 0.000 1.107 682 M CB -0.257 32.400 32.600 0.094 0.000 1.356 682 M HN 0.270 nan 8.290 nan 0.000 0.406 683 L N 0.729 122.007 121.223 0.092 0.000 2.275 683 L HA -0.073 4.260 4.340 -0.011 0.000 0.215 683 L C 1.214 178.129 176.870 0.074 0.000 1.119 683 L CA 1.550 56.446 54.840 0.094 0.000 0.790 683 L CB -0.531 41.592 42.059 0.106 0.000 0.919 683 L HN 0.341 nan 8.230 nan 0.000 0.443 684 N N -0.159 118.578 118.700 0.062 0.000 2.279 684 N HA 0.178 4.912 4.740 -0.011 0.000 0.226 684 N C 0.826 176.375 175.510 0.066 0.000 1.126 684 N CA 0.757 53.836 53.050 0.050 0.000 0.846 684 N CB 0.536 39.030 38.487 0.012 0.000 1.050 684 N HN 0.393 nan 8.380 nan 0.000 0.502 685 G N 0.567 109.411 108.800 0.073 0.000 2.149 685 G HA2 -0.219 3.734 3.960 -0.011 0.000 0.235 685 G HA3 -0.219 3.734 3.960 -0.011 0.000 0.235 685 G C 0.027 174.998 174.900 0.120 0.000 1.018 685 G CA 0.228 45.374 45.100 0.077 0.000 0.728 685 G HN 0.532 nan 8.290 nan 0.000 0.508 686 A N -0.647 122.252 122.820 0.132 0.000 2.320 686 A HA 0.897 5.210 4.320 -0.011 0.000 0.334 686 A C -0.184 177.404 177.584 0.006 0.000 1.147 686 A CA -0.666 51.462 52.037 0.152 0.000 0.820 686 A CB 1.369 20.519 19.000 0.250 0.000 1.218 686 A HN 0.743 nan 8.150 nan 0.000 0.482 687 L N 0.680 121.864 121.223 -0.065 0.000 2.360 687 L HA 0.564 4.897 4.340 -0.011 0.000 0.271 687 L C 0.514 177.241 176.870 -0.238 0.000 1.057 687 L CA 0.414 55.117 54.840 -0.229 0.000 0.803 687 L CB 1.616 43.437 42.059 -0.397 0.000 1.207 687 L HN 0.744 nan 8.230 nan 0.000 0.445 688 T N 4.000 118.299 114.554 -0.425 0.000 2.794 688 T HA 0.540 4.883 4.350 -0.011 0.000 0.280 688 T C -0.326 174.219 174.700 -0.258 0.000 0.987 688 T CA -0.164 61.654 62.100 -0.469 0.000 0.993 688 T CB 0.975 69.369 68.868 -0.790 0.000 0.939 688 T HN 0.449 nan 8.240 nan 0.000 0.449 689 I N 2.930 123.442 120.570 -0.097 0.000 2.382 689 I HA 0.713 4.876 4.170 -0.011 0.000 0.285 689 I C 0.050 176.308 176.117 0.234 0.000 1.007 689 I CA 0.045 61.415 61.300 0.118 0.000 1.142 689 I CB 0.226 38.229 38.000 0.004 0.000 1.289 689 I HN 0.784 nan 8.210 nan 0.000 0.453 690 G N 3.991 112.982 108.800 0.318 0.000 2.663 690 G HA2 0.525 4.478 3.960 -0.011 0.000 0.299 690 G HA3 0.525 4.478 3.960 -0.011 0.000 0.299 690 G C -0.958 173.821 174.900 -0.201 0.000 1.372 690 G CA -0.321 44.870 45.100 0.152 0.000 0.781 690 G HN 0.531 nan 8.290 nan 0.000 0.491 691 T N -1.802 112.540 114.554 -0.353 0.000 2.912 691 T HA 0.545 4.888 4.350 -0.011 0.000 0.280 691 T C 0.578 175.160 174.700 -0.197 0.000 0.989 691 T CA -0.763 61.064 62.100 -0.455 0.000 0.995 691 T CB 1.335 69.938 68.868 -0.442 0.000 1.077 691 T HN 0.242 nan 8.240 nan 0.000 0.531 692 M N 2.840 122.337 119.600 -0.172 0.000 3.442 692 M HA 0.330 4.803 4.480 -0.011 0.000 0.232 692 M C -0.495 175.752 176.300 -0.088 0.000 1.508 692 M CA -0.015 55.219 55.300 -0.109 0.000 1.647 692 M CB -1.840 30.704 32.600 -0.093 0.000 1.126 692 M HN 0.724 nan 8.290 nan 0.000 0.557 693 D N -0.116 120.238 120.400 -0.077 0.000 2.601 693 D HA 0.678 5.311 4.640 -0.011 0.000 0.230 693 D C 0.807 177.086 176.300 -0.035 0.000 1.106 693 D CA 0.702 54.673 54.000 -0.049 0.000 0.873 693 D CB 1.735 42.508 40.800 -0.044 0.000 1.515 693 D HN 0.579 nan 8.370 nan 0.000 0.468 694 G N 1.670 110.460 108.800 -0.017 0.000 2.661 694 G HA2 -0.299 3.654 3.960 -0.011 0.000 0.327 694 G HA3 -0.299 3.654 3.960 -0.011 0.000 0.327 694 G C 1.081 175.973 174.900 -0.014 0.000 1.320 694 G CA 1.383 46.477 45.100 -0.010 0.000 0.997 694 G HN 1.038 nan 8.290 nan 0.000 0.543 695 A N -0.385 122.419 122.820 -0.026 0.000 2.167 695 A HA 0.103 4.416 4.320 -0.011 0.000 0.214 695 A C 2.114 179.625 177.584 -0.121 0.000 1.151 695 A CA 1.835 53.845 52.037 -0.046 0.000 0.735 695 A CB -0.427 18.528 19.000 -0.075 0.000 0.802 695 A HN 0.609 nan 8.150 nan 0.000 0.467 696 N N 0.491 119.134 118.700 -0.096 0.000 2.137 696 N HA -0.153 4.580 4.740 -0.011 0.000 0.190 696 N C 1.566 176.945 175.510 -0.219 0.000 1.017 696 N CA 1.586 54.575 53.050 -0.101 0.000 0.859 696 N CB -0.565 37.911 38.487 -0.018 0.000 1.002 696 N HN 0.284 nan 8.380 nan 0.000 0.428 697 V N 1.130 120.959 119.914 -0.143 0.000 2.295 697 V HA -0.202 3.911 4.120 -0.011 0.000 0.246 697 V C 1.919 177.931 176.094 -0.136 0.000 1.049 697 V CA 1.657 63.871 62.300 -0.142 0.000 1.024 697 V CB -0.450 31.328 31.823 -0.076 0.000 0.648 697 V HN 0.352 nan 8.190 nan 0.000 0.447 698 E N -0.698 119.474 120.200 -0.047 0.000 2.208 698 E HA -0.114 4.229 4.350 -0.011 0.000 0.193 698 E C 2.181 178.878 176.600 0.163 0.000 0.988 698 E CA 0.949 57.400 56.400 0.086 0.000 0.828 698 E CB -0.140 29.707 29.700 0.245 0.000 0.763 698 E HN 0.550 nan 8.360 nan 0.000 0.478 699 M N 0.246 119.795 119.600 -0.086 0.000 2.156 699 M HA -0.079 4.394 4.480 -0.011 0.000 0.264 699 M C 2.444 178.500 176.300 -0.406 0.000 1.067 699 M CA 1.371 56.564 55.300 -0.178 0.000 1.131 699 M CB -0.066 32.329 32.600 -0.342 0.000 1.368 699 M HN 0.127 nan 8.290 nan 0.000 0.416 700 A N 0.120 122.388 122.820 -0.920 0.000 1.930 700 A HA -0.212 4.101 4.320 -0.011 0.000 0.217 700 A C 1.981 179.353 177.584 -0.353 0.000 1.175 700 A CA 1.930 53.368 52.037 -0.997 0.000 0.627 700 A CB -0.806 17.621 19.000 -0.956 0.000 0.815 700 A HN 0.599 nan 8.150 nan 0.000 0.443 701 E N -0.467 119.598 120.200 -0.226 0.000 2.150 701 E HA -0.207 4.136 4.350 -0.011 0.000 0.193 701 E C 1.635 178.206 176.600 -0.048 0.000 0.985 701 E CA 1.228 57.566 56.400 -0.104 0.000 0.814 701 E CB -0.060 29.600 29.700 -0.067 0.000 0.752 701 E HN 0.536 nan 8.360 nan 0.000 0.466 702 E N 0.023 120.221 120.200 -0.002 0.000 2.112 702 E HA -0.047 4.296 4.350 -0.011 0.000 0.190 702 E C 1.752 178.376 176.600 0.040 0.000 0.979 702 E CA 1.068 57.493 56.400 0.041 0.000 0.814 702 E CB 0.052 29.837 29.700 0.141 0.000 0.762 702 E HN 0.373 nan 8.360 nan 0.000 0.460 703 A N 0.279 123.126 122.820 0.045 0.000 2.147 703 A HA 0.395 4.708 4.320 -0.011 0.000 0.211 703 A C 0.962 178.564 177.584 0.029 0.000 1.160 703 A CA 0.942 53.020 52.037 0.068 0.000 0.781 703 A CB 0.176 19.273 19.000 0.162 0.000 0.842 703 A HN 0.209 nan 8.150 nan 0.000 0.475 704 G N -0.412 108.378 108.800 -0.016 0.000 3.209 704 G HA2 -0.099 3.854 3.960 -0.011 0.000 0.686 704 G HA3 -0.099 3.854 3.960 -0.011 0.000 0.686 704 G C -0.035 174.847 174.900 -0.030 0.000 1.065 704 G CA 0.006 45.090 45.100 -0.028 0.000 0.812 704 G HN 0.238 nan 8.290 nan 0.000 0.573 705 E N 0.778 120.946 120.200 -0.054 0.000 2.273 705 E HA -0.171 4.172 4.350 -0.011 0.000 0.198 705 E C 2.077 178.660 176.600 -0.028 0.000 1.002 705 E CA 1.833 58.209 56.400 -0.040 0.000 0.828 705 E CB 0.077 29.749 29.700 -0.046 0.000 0.747 705 E HN 0.779 nan 8.360 nan 0.000 0.491 706 E N 0.394 120.565 120.200 -0.048 0.000 2.274 706 E HA -0.082 4.261 4.350 -0.011 0.000 0.194 706 E C 0.960 177.471 176.600 -0.148 0.000 0.996 706 E CA 0.654 57.001 56.400 -0.088 0.000 0.840 706 E CB 0.057 29.719 29.700 -0.064 0.000 0.772 706 E HN 0.162 nan 8.360 nan 0.000 0.491 707 N N -0.315 118.335 118.700 -0.083 0.000 2.276 707 N HA 0.128 4.861 4.740 -0.011 0.000 0.212 707 N C -0.892 174.568 175.510 -0.084 0.000 1.127 707 N CA 0.140 53.124 53.050 -0.110 0.000 0.834 707 N CB 0.370 38.845 38.487 -0.020 0.000 1.014 707 N HN 0.042 nan 8.380 nan 0.000 0.491 708 F N -0.487 119.269 119.950 -0.323 0.000 2.588 708 F HA 0.417 4.936 4.527 -0.012 0.000 0.314 708 F C -0.718 174.871 175.800 -0.351 0.000 1.069 708 F CA -1.138 56.713 58.000 -0.248 0.000 0.931 708 F CB 1.364 40.298 39.000 -0.110 0.000 1.260 708 F HN -0.227 nan 8.300 nan 0.000 0.465 709 F N 5.127 125.079 119.950 0.004 0.000 2.318 709 F HA 0.378 4.899 4.527 -0.011 0.000 0.356 709 F C -0.272 175.654 175.800 0.211 0.000 1.109 709 F CA -0.543 57.496 58.000 0.064 0.000 1.234 709 F CB -0.042 38.937 39.000 -0.034 0.000 1.545 709 F HN -0.007 nan 8.300 nan 0.000 0.534 710 I N 3.391 124.163 120.570 0.336 0.000 2.499 710 I HA 0.401 4.564 4.170 -0.011 0.000 0.296 710 I C -0.025 176.273 176.117 0.302 0.000 0.992 710 I CA -0.605 60.850 61.300 0.258 0.000 1.297 710 I CB 0.866 38.944 38.000 0.129 0.000 1.410 710 I HN 0.375 nan 8.210 nan 0.000 0.507 711 F N 1.804 121.819 119.950 0.108 0.000 2.831 711 F HA 0.793 5.313 4.527 -0.012 0.000 0.318 711 F C 0.003 175.844 175.800 0.069 0.000 1.174 711 F CA -0.352 57.703 58.000 0.091 0.000 0.918 711 F CB 0.879 39.947 39.000 0.113 0.000 1.364 711 F HN 0.815 nan 8.300 nan 0.000 0.475 712 G N 0.932 109.849 108.800 0.195 0.000 2.796 712 G HA2 -0.111 3.842 3.960 -0.011 0.000 0.226 712 G HA3 -0.111 3.842 3.960 -0.011 0.000 0.226 712 G C -0.746 174.142 174.900 -0.020 0.000 1.381 712 G CA -0.441 44.696 45.100 0.061 0.000 0.867 712 G HN 0.958 nan 8.290 nan 0.000 0.552 713 M N 0.539 120.133 119.600 -0.010 0.000 2.245 713 M HA 0.358 4.831 4.480 -0.011 0.000 0.330 713 M C 1.080 177.351 176.300 -0.049 0.000 1.098 713 M CA 0.000 55.295 55.300 -0.009 0.000 1.172 713 M CB 0.361 32.964 32.600 0.004 0.000 1.467 713 M HN 0.541 nan 8.290 nan 0.000 0.454 714 R N 1.041 121.523 120.500 -0.030 0.000 2.700 714 R HA 0.357 4.691 4.340 -0.011 0.000 0.253 714 R C 1.168 177.450 176.300 -0.029 0.000 1.091 714 R CA -0.801 55.276 56.100 -0.039 0.000 1.104 714 R CB -0.004 30.279 30.300 -0.028 0.000 1.202 714 R HN 0.566 nan 8.270 nan 0.000 0.532 715 V N 1.541 121.436 119.914 -0.031 0.000 2.324 715 V HA -0.287 3.826 4.120 -0.011 0.000 0.250 715 V C 1.784 177.868 176.094 -0.018 0.000 1.060 715 V CA 2.095 64.380 62.300 -0.025 0.000 1.042 715 V CB -0.401 31.405 31.823 -0.028 0.000 0.650 715 V HN 0.628 nan 8.190 nan 0.000 0.450 716 E N -0.126 120.065 120.200 -0.014 0.000 2.072 716 E HA -0.177 4.167 4.350 -0.011 0.000 0.191 716 E C 1.989 178.592 176.600 0.005 0.000 0.985 716 E CA 1.339 57.735 56.400 -0.006 0.000 0.801 716 E CB -0.346 29.351 29.700 -0.005 0.000 0.750 716 E HN 0.614 nan 8.360 nan 0.000 0.452 717 D N -0.007 120.398 120.400 0.008 0.000 2.117 717 D HA -0.117 4.516 4.640 -0.011 0.000 0.197 717 D C 2.008 178.323 176.300 0.025 0.000 0.987 717 D CA 0.930 54.946 54.000 0.025 0.000 0.829 717 D CB -0.145 40.674 40.800 0.031 0.000 0.961 717 D HN 0.055 nan 8.370 nan 0.000 0.460 718 V N 1.781 121.698 119.914 0.004 0.000 2.343 718 V HA -0.229 3.884 4.120 -0.011 0.000 0.247 718 V C 1.993 178.086 176.094 -0.001 0.000 1.051 718 V CA 1.742 64.035 62.300 -0.010 0.000 1.036 718 V CB -0.424 31.383 31.823 -0.026 0.000 0.654 718 V HN 0.028 nan 8.190 nan 0.000 0.451 719 D N -0.222 120.178 120.400 -0.000 0.000 2.097 719 D HA -0.160 4.474 4.640 -0.011 0.000 0.195 719 D C 2.402 178.713 176.300 0.019 0.000 0.989 719 D CA 1.306 55.308 54.000 0.003 0.000 0.827 719 D CB -0.287 40.511 40.800 -0.002 0.000 0.966 719 D HN 0.287 nan 8.370 nan 0.000 0.456 720 R N 0.064 120.580 120.500 0.026 0.000 2.091 720 R HA -0.067 4.266 4.340 -0.011 0.000 0.238 720 R C 2.465 178.800 176.300 0.059 0.000 1.136 720 R CA 0.642 56.766 56.100 0.039 0.000 0.959 720 R CB -0.395 29.930 30.300 0.042 0.000 0.856 720 R HN 0.202 nan 8.270 nan 0.000 0.437 721 L N 0.496 121.763 121.223 0.072 0.000 2.083 721 L HA -0.227 4.107 4.340 -0.011 0.000 0.209 721 L C 1.403 178.339 176.870 0.109 0.000 1.083 721 L CA 1.451 56.360 54.840 0.116 0.000 0.752 721 L CB -0.307 41.830 42.059 0.130 0.000 0.899 721 L HN 0.283 nan 8.230 nan 0.000 0.433 722 D N -0.787 119.651 120.400 0.065 0.000 2.144 722 D HA -0.170 4.464 4.640 -0.011 0.000 0.200 722 D C 2.294 178.625 176.300 0.051 0.000 0.978 722 D CA 0.860 54.892 54.000 0.053 0.000 0.833 722 D CB -0.015 40.795 40.800 0.018 0.000 0.961 722 D HN 0.383 nan 8.370 nan 0.000 0.470 723 Q N 0.428 120.254 119.800 0.042 0.000 2.084 723 Q HA -0.101 4.232 4.340 -0.011 0.000 0.202 723 Q C 2.254 178.280 176.000 0.044 0.000 0.978 723 Q CA 0.806 56.630 55.803 0.036 0.000 0.844 723 Q CB -0.236 28.519 28.738 0.029 0.000 0.898 723 Q HN 0.318 nan 8.270 nan 0.000 0.426 724 R N 0.092 120.626 120.500 0.057 0.000 2.057 724 R HA 0.009 4.343 4.340 -0.011 0.000 0.229 724 R C 0.240 176.582 176.300 0.069 0.000 1.136 724 R CA 1.197 57.334 56.100 0.061 0.000 0.952 724 R CB 0.060 30.405 30.300 0.075 0.000 0.848 724 R HN 0.370 nan 8.270 nan 0.000 0.430 725 G N -0.191 108.668 108.800 0.097 0.000 3.326 725 G HA2 -0.199 3.755 3.960 -0.011 0.000 0.681 725 G HA3 -0.199 3.755 3.960 -0.011 0.000 0.681 725 G C -1.512 173.487 174.900 0.166 0.000 1.255 725 G CA -0.639 44.526 45.100 0.108 0.000 0.976 725 G HN 0.273 nan 8.290 nan 0.000 0.563 726 Y N 3.806 124.141 120.300 0.060 0.000 2.436 726 Y HA 0.560 5.103 4.550 -0.011 0.000 0.343 726 Y C 0.357 176.317 175.900 0.100 0.000 1.008 726 Y CA -0.863 57.292 58.100 0.091 0.000 1.241 726 Y CB 0.907 39.398 38.460 0.051 0.000 1.153 726 Y HN 0.542 nan 8.280 nan 0.000 0.521 727 N N 5.256 123.745 118.700 -0.352 0.000 2.569 727 N HA 0.284 5.017 4.740 -0.011 0.000 0.254 727 N C 0.247 175.528 175.510 -0.380 0.000 1.004 727 N CA 0.311 53.169 53.050 -0.318 0.000 0.904 727 N CB 1.468 39.895 38.487 -0.101 0.000 1.165 727 N HN 0.896 nan 8.380 nan 0.000 0.513 728 A N 3.041 125.538 122.820 -0.538 0.000 1.940 728 A HA -0.236 4.077 4.320 -0.011 0.000 0.219 728 A C 1.958 179.694 177.584 0.254 0.000 1.176 728 A CA 1.499 53.470 52.037 -0.110 0.000 0.631 728 A CB -0.390 18.475 19.000 -0.226 0.000 0.814 728 A HN 0.758 nan 8.150 nan 0.000 0.446 729 Q N 0.078 119.920 119.800 0.070 0.000 2.152 729 Q HA -0.242 4.091 4.340 -0.011 0.000 0.206 729 Q C 1.899 177.983 176.000 0.140 0.000 0.985 729 Q CA 2.298 58.159 55.803 0.097 0.000 0.863 729 Q CB -0.355 28.394 28.738 0.018 0.000 0.904 729 Q HN 0.776 nan 8.270 nan 0.000 0.422 730 E N -1.401 118.826 120.200 0.045 0.000 2.085 730 E HA -0.235 4.108 4.350 -0.011 0.000 0.194 730 E C 1.524 178.052 176.600 -0.120 0.000 0.994 730 E CA 1.494 57.843 56.400 -0.085 0.000 0.801 730 E CB -0.174 29.384 29.700 -0.238 0.000 0.743 730 E HN 0.588 nan 8.360 nan 0.000 0.453 731 Y N -1.333 119.020 120.300 0.089 0.000 2.314 731 Y HA -0.170 4.374 4.550 -0.011 0.000 0.293 731 Y C 2.097 177.959 175.900 -0.064 0.000 1.129 731 Y CA 1.302 59.429 58.100 0.047 0.000 1.201 731 Y CB -0.487 38.045 38.460 0.121 0.000 0.999 731 Y HN 0.230 nan 8.280 nan 0.000 0.541 732 Y N 1.145 121.441 120.300 -0.007 0.000 2.224 732 Y HA -0.236 4.307 4.550 -0.011 0.000 0.289 732 Y C 1.788 177.639 175.900 -0.082 0.000 1.146 732 Y CA 1.718 59.740 58.100 -0.130 0.000 1.182 732 Y CB -0.266 38.174 38.460 -0.034 0.000 0.983 732 Y HN 0.053 nan 8.280 nan 0.000 0.524 733 D N -0.234 120.223 120.400 0.096 0.000 2.149 733 D HA -0.092 4.541 4.640 -0.011 0.000 0.201 733 D C 1.884 178.140 176.300 -0.073 0.000 0.972 733 D CA 1.095 55.102 54.000 0.011 0.000 0.835 733 D CB -0.064 40.774 40.800 0.064 0.000 0.966 733 D HN 0.476 nan 8.370 nan 0.000 0.476 734 R N 0.045 120.504 120.500 -0.068 0.000 2.280 734 R HA 0.220 4.554 4.340 -0.011 0.000 0.195 734 R C 0.472 176.739 176.300 -0.056 0.000 0.935 734 R CA 0.145 56.208 56.100 -0.062 0.000 1.033 734 R CB 0.780 31.044 30.300 -0.061 0.000 0.964 734 R HN 0.173 nan 8.270 nan 0.000 0.489 735 I N 2.341 122.858 120.570 -0.088 0.000 2.405 735 I HA 0.220 4.383 4.170 -0.011 0.000 0.280 735 I C -1.894 174.123 176.117 -0.166 0.000 1.027 735 I CA -2.414 58.843 61.300 -0.073 0.000 1.161 735 I CB 2.117 40.114 38.000 -0.006 0.000 1.300 735 I HN -0.285 nan 8.210 nan 0.000 0.463 736 P HA -0.167 nan 4.420 nan 0.000 0.215 736 P C 1.225 178.431 177.300 -0.156 0.000 1.153 736 P CA 1.353 64.359 63.100 -0.157 0.000 0.853 736 P CB 0.288 31.929 31.700 -0.098 0.000 0.788 737 E N -0.948 119.200 120.200 -0.086 0.000 2.110 737 E HA -0.181 4.162 4.350 -0.011 0.000 0.193 737 E C 1.872 178.386 176.600 -0.145 0.000 0.988 737 E CA 0.852 57.221 56.400 -0.052 0.000 0.804 737 E CB -0.615 29.128 29.700 0.072 0.000 0.745 737 E HN 0.125 nan 8.360 nan 0.000 0.458 738 L N 1.322 122.374 121.223 -0.284 0.000 2.072 738 L HA -0.124 4.209 4.340 -0.011 0.000 0.205 738 L C 2.421 179.025 176.870 -0.443 0.000 1.079 738 L CA 1.658 56.155 54.840 -0.571 0.000 0.752 738 L CB -0.414 41.167 42.059 -0.796 0.000 0.906 738 L HN -0.088 nan 8.230 nan 0.000 0.436 739 R N -0.750 119.462 120.500 -0.480 0.000 2.091 739 R HA -0.241 4.092 4.340 -0.011 0.000 0.238 739 R C 2.379 178.511 176.300 -0.279 0.000 1.136 739 R CA 1.962 57.688 56.100 -0.623 0.000 0.959 739 R CB -0.426 29.392 30.300 -0.803 0.000 0.856 739 R HN 0.640 nan 8.270 nan 0.000 0.437 740 Q N 0.461 120.133 119.800 -0.213 0.000 2.124 740 Q HA -0.171 4.163 4.340 -0.011 0.000 0.202 740 Q C 2.064 178.011 176.000 -0.088 0.000 0.977 740 Q CA 1.827 57.552 55.803 -0.130 0.000 0.850 740 Q CB -0.070 28.593 28.738 -0.124 0.000 0.901 740 Q HN 0.516 nan 8.270 nan 0.000 0.429 741 I N 0.179 120.694 120.570 -0.092 0.000 2.179 741 I HA -0.281 3.882 4.170 -0.011 0.000 0.242 741 I C 2.109 178.247 176.117 0.034 0.000 1.088 741 I CA 0.835 62.119 61.300 -0.028 0.000 1.357 741 I CB -0.198 37.763 38.000 -0.065 0.000 1.051 741 I HN 0.237 nan 8.210 nan 0.000 0.409 742 I N 0.791 121.383 120.570 0.036 0.000 2.361 742 I HA -0.266 3.897 4.170 -0.011 0.000 0.251 742 I C 2.410 178.623 176.117 0.160 0.000 1.133 742 I CA 1.564 62.949 61.300 0.142 0.000 1.413 742 I CB -0.374 37.790 38.000 0.273 0.000 1.073 742 I HN 0.208 nan 8.210 nan 0.000 0.424 743 E N -0.336 119.941 120.200 0.129 0.000 2.208 743 E HA -0.223 4.120 4.350 -0.011 0.000 0.193 743 E C 2.110 178.774 176.600 0.106 0.000 0.988 743 E CA 0.685 57.156 56.400 0.118 0.000 0.828 743 E CB -0.146 29.601 29.700 0.078 0.000 0.763 743 E HN 0.590 nan 8.360 nan 0.000 0.478 744 Q N 0.555 120.402 119.800 0.079 0.000 2.119 744 Q HA -0.078 4.255 4.340 -0.011 0.000 0.201 744 Q C 2.274 178.449 176.000 0.292 0.000 0.972 744 Q CA 0.846 56.703 55.803 0.092 0.000 0.847 744 Q CB 0.093 28.795 28.738 -0.060 0.000 0.903 744 Q HN 0.284 nan 8.270 nan 0.000 0.433 745 L N -0.411 120.987 121.223 0.291 0.000 2.056 745 L HA -0.149 4.185 4.340 -0.011 0.000 0.207 745 L C 2.315 179.360 176.870 0.291 0.000 1.078 745 L CA 0.929 55.963 54.840 0.323 0.000 0.749 745 L CB -0.268 41.905 42.059 0.189 0.000 0.901 745 L HN 0.144 nan 8.230 nan 0.000 0.433 746 S N -0.390 115.437 115.700 0.212 0.000 2.406 746 S HA -0.128 4.335 4.470 -0.011 0.000 0.228 746 S C 2.045 176.741 174.600 0.161 0.000 1.020 746 S CA 1.358 59.663 58.200 0.174 0.000 0.965 746 S CB -0.146 63.135 63.200 0.135 0.000 0.798 746 S HN 0.573 nan 8.310 nan 0.000 0.488 747 S N 0.632 116.431 115.700 0.166 0.000 2.562 747 S HA 0.293 4.756 4.470 -0.011 0.000 0.221 747 S C 1.445 176.136 174.600 0.152 0.000 0.975 747 S CA 0.744 59.029 58.200 0.142 0.000 0.918 747 S CB -0.202 63.077 63.200 0.133 0.000 0.772 747 S HN 0.791 nan 8.310 nan 0.000 0.531 748 G N 0.555 109.476 108.800 0.202 0.000 2.132 748 G HA2 -0.304 3.649 3.960 -0.011 0.000 0.234 748 G HA3 -0.304 3.649 3.960 -0.011 0.000 0.234 748 G C 0.226 175.219 174.900 0.156 0.000 0.989 748 G CA 0.171 45.380 45.100 0.181 0.000 0.676 748 G HN 0.566 nan 8.290 nan 0.000 0.522 749 F N 0.320 120.281 119.950 0.018 0.000 2.161 749 F HA 0.122 4.642 4.527 -0.011 0.000 0.300 749 F C 1.916 177.542 175.800 -0.290 0.000 1.089 749 F CA 2.171 60.065 58.000 -0.176 0.000 1.282 749 F CB -0.090 38.726 39.000 -0.307 0.000 1.010 749 F HN 0.171 nan 8.300 nan 0.000 0.485 750 F N -0.274 119.824 119.950 0.246 0.000 2.727 750 F HA 0.191 4.711 4.527 -0.011 0.000 0.302 750 F C 0.695 176.608 175.800 0.188 0.000 1.097 750 F CA 0.306 58.403 58.000 0.163 0.000 1.330 750 F CB -0.152 38.953 39.000 0.176 0.000 1.084 750 F HN -0.027 nan 8.300 nan 0.000 0.578 751 S N -1.918 113.936 115.700 0.257 0.000 2.486 751 S HA 0.309 4.772 4.470 -0.011 0.000 0.144 751 S C -2.423 172.205 174.600 0.046 0.000 1.542 751 S CA -1.061 57.223 58.200 0.140 0.000 1.262 751 S CB 0.857 64.106 63.200 0.083 0.000 1.462 751 S HN -0.181 nan 8.310 nan 0.000 0.381 752 P HA -0.143 nan 4.420 nan 0.000 0.214 752 P C 1.223 178.516 177.300 -0.012 0.000 1.163 752 P CA 1.504 64.585 63.100 -0.032 0.000 0.889 752 P CB 0.081 31.738 31.700 -0.072 0.000 0.790 753 K N -1.104 119.290 120.400 -0.009 0.000 2.211 753 K HA -0.088 4.225 4.320 -0.011 0.000 0.203 753 K C 0.678 177.279 176.600 0.000 0.000 1.050 753 K CA 1.027 57.312 56.287 -0.004 0.000 0.945 753 K CB -0.178 32.322 32.500 0.001 0.000 0.732 753 K HN 0.322 nan 8.250 nan 0.000 0.451 754 Q N -0.448 119.351 119.800 -0.002 0.000 2.907 754 Q HA 0.153 4.486 4.340 -0.011 0.000 0.262 754 Q C -2.321 173.674 176.000 -0.008 0.000 0.997 754 Q CA -1.604 54.193 55.803 -0.010 0.000 0.797 754 Q CB 1.589 30.313 28.738 -0.023 0.000 1.228 754 Q HN -0.091 nan 8.270 nan 0.000 0.466 755 P HA -0.239 nan 4.420 nan 0.000 0.217 755 P C 0.611 177.950 177.300 0.064 0.000 1.148 755 P CA 1.500 64.630 63.100 0.050 0.000 0.834 755 P CB 0.228 31.956 31.700 0.045 0.000 0.783 756 D N -1.418 119.003 120.400 0.034 0.000 2.368 756 D HA -0.003 4.630 4.640 -0.011 0.000 0.218 756 D C 1.611 177.912 176.300 0.002 0.000 1.112 756 D CA -0.250 53.777 54.000 0.045 0.000 0.834 756 D CB -0.668 40.158 40.800 0.044 0.000 0.953 756 D HN 0.018 nan 8.370 nan 0.000 0.505 757 L N 0.087 121.249 121.223 -0.103 0.000 2.089 757 L HA -0.115 4.219 4.340 -0.011 0.000 0.213 757 L C 1.079 177.734 176.870 -0.359 0.000 1.079 757 L CA 1.722 56.383 54.840 -0.298 0.000 0.758 757 L CB -0.628 41.076 42.059 -0.591 0.000 0.891 757 L HN -0.003 nan 8.230 nan 0.000 0.433 758 F N -0.751 119.257 119.950 0.096 0.000 2.668 758 F HA 0.152 4.673 4.527 -0.011 0.000 0.297 758 F C 1.770 177.619 175.800 0.081 0.000 1.124 758 F CA -0.166 57.879 58.000 0.075 0.000 1.353 758 F CB -0.300 38.732 39.000 0.054 0.000 0.992 758 F HN 0.099 nan 8.300 nan 0.000 0.524 759 K N -0.637 119.881 120.400 0.197 0.000 2.147 759 K HA -0.159 4.154 4.320 -0.011 0.000 0.205 759 K C 0.925 177.623 176.600 0.163 0.000 1.049 759 K CA 1.788 58.171 56.287 0.161 0.000 0.936 759 K CB -0.186 32.385 32.500 0.119 0.000 0.722 759 K HN 0.056 nan 8.250 nan 0.000 0.446 760 D N 1.270 121.780 120.400 0.183 0.000 2.144 760 D HA -0.057 4.576 4.640 -0.011 0.000 0.200 760 D C 1.973 178.374 176.300 0.168 0.000 0.978 760 D CA 1.008 55.125 54.000 0.195 0.000 0.833 760 D CB -0.069 40.882 40.800 0.251 0.000 0.961 760 D HN 0.288 nan 8.370 nan 0.000 0.470 761 I N 0.290 120.956 120.570 0.161 0.000 2.202 761 I HA -0.202 3.961 4.170 -0.011 0.000 0.242 761 I C 2.389 178.541 176.117 0.059 0.000 1.091 761 I CA 0.556 61.916 61.300 0.099 0.000 1.368 761 I CB -0.172 37.878 38.000 0.084 0.000 1.058 761 I HN -0.121 nan 8.210 nan 0.000 0.410 762 V N 1.047 121.012 119.914 0.086 0.000 2.343 762 V HA -0.310 3.803 4.120 -0.011 0.000 0.247 762 V C 2.152 178.226 176.094 -0.035 0.000 1.051 762 V CA 2.415 64.744 62.300 0.048 0.000 1.036 762 V CB -0.977 30.900 31.823 0.090 0.000 0.654 762 V HN 0.464 nan 8.190 nan 0.000 0.451 763 N N -0.467 118.248 118.700 0.025 0.000 2.104 763 N HA -0.217 4.516 4.740 -0.011 0.000 0.190 763 N C 1.899 177.322 175.510 -0.146 0.000 1.024 763 N CA 1.716 54.782 53.050 0.025 0.000 0.853 763 N CB -0.189 38.409 38.487 0.185 0.000 1.008 763 N HN 0.330 nan 8.380 nan 0.000 0.424 764 M N -0.013 119.572 119.600 -0.024 0.000 2.099 764 M HA -0.109 4.364 4.480 -0.011 0.000 0.262 764 M C 1.448 177.628 176.300 -0.199 0.000 1.067 764 M CA 1.299 56.588 55.300 -0.018 0.000 1.124 764 M CB -0.598 32.082 32.600 0.134 0.000 1.353 764 M HN 0.207 nan 8.290 nan 0.000 0.410 765 L N 0.778 121.872 121.223 -0.215 0.000 2.079 765 L HA -0.231 4.103 4.340 -0.011 0.000 0.210 765 L C 2.425 178.940 176.870 -0.592 0.000 1.081 765 L CA 1.670 56.261 54.840 -0.414 0.000 0.752 765 L CB -1.202 40.651 42.059 -0.342 0.000 0.896 765 L HN 0.382 nan 8.230 nan 0.000 0.433 766 M N -1.996 117.293 119.600 -0.518 0.000 2.287 766 M HA -0.040 4.433 4.480 -0.011 0.000 0.266 766 M C 1.919 177.775 176.300 -0.739 0.000 1.079 766 M CA 1.273 56.191 55.300 -0.635 0.000 1.146 766 M CB -0.755 31.346 32.600 -0.831 0.000 1.374 766 M HN 0.321 nan 8.290 nan 0.000 0.435 767 H N -1.656 117.169 119.070 -0.408 0.000 2.788 767 H HA 0.214 4.764 4.556 -0.011 0.000 0.262 767 H C 0.089 175.162 175.328 -0.424 0.000 0.968 767 H CA 0.620 56.392 56.048 -0.461 0.000 1.218 767 H CB 0.187 29.633 29.762 -0.527 0.000 1.443 767 H HN 0.549 nan 8.280 nan 0.000 0.478 768 H N -0.466 118.643 119.070 0.065 0.000 2.825 768 H HA 0.217 4.767 4.556 -0.011 0.000 0.226 768 H C -0.988 174.347 175.328 0.012 0.000 1.414 768 H CA -0.531 55.547 56.048 0.049 0.000 1.198 768 H CB 0.389 30.185 29.762 0.056 0.000 2.013 768 H HN -0.074 nan 8.280 nan 0.000 0.530 769 D N 1.526 121.952 120.400 0.043 0.000 2.441 769 D HA 0.107 4.740 4.640 -0.011 0.000 0.221 769 D C 0.906 177.138 176.300 -0.114 0.000 1.156 769 D CA -0.438 53.560 54.000 -0.003 0.000 0.896 769 D CB 0.633 41.412 40.800 -0.034 0.000 1.028 769 D HN 0.422 nan 8.370 nan 0.000 0.509 770 R N 2.235 122.554 120.500 -0.302 0.000 2.237 770 R HA -0.044 4.289 4.340 -0.011 0.000 0.219 770 R C 0.604 176.334 176.300 -0.951 0.000 1.080 770 R CA 0.827 56.534 56.100 -0.655 0.000 0.995 770 R CB 0.032 29.774 30.300 -0.930 0.000 0.875 770 R HN 0.376 nan 8.270 nan 0.000 0.462 771 F N 0.915 120.822 119.950 -0.071 0.000 2.647 771 F HA 0.258 4.778 4.527 -0.011 0.000 0.300 771 F C 0.044 175.713 175.800 -0.217 0.000 1.106 771 F CA -0.814 57.126 58.000 -0.101 0.000 1.313 771 F CB 0.001 38.997 39.000 -0.006 0.000 1.007 771 F HN -0.223 nan 8.300 nan 0.000 0.536 772 K N -0.523 119.646 120.400 -0.386 0.000 3.356 772 K HA -0.200 4.113 4.320 -0.011 0.000 0.270 772 K C 1.052 177.511 176.600 -0.236 0.000 0.901 772 K CA 0.216 56.087 56.287 -0.692 0.000 0.688 772 K CB -1.883 30.105 32.500 -0.853 0.000 1.460 772 K HN 0.243 nan 8.250 nan 0.000 0.458 773 V N 0.119 119.984 119.914 -0.082 0.000 2.287 773 V HA -0.290 3.823 4.120 -0.011 0.000 0.248 773 V C 2.018 178.238 176.094 0.210 0.000 1.053 773 V CA 2.271 64.602 62.300 0.052 0.000 1.027 773 V CB -0.522 31.328 31.823 0.045 0.000 0.646 773 V HN 0.518 nan 8.190 nan 0.000 0.447 774 F N 0.266 120.218 119.950 0.004 0.000 2.126 774 F HA -0.233 4.287 4.527 -0.011 0.000 0.299 774 F C 2.550 178.153 175.800 -0.328 0.000 1.096 774 F CA 0.770 58.720 58.000 -0.084 0.000 1.255 774 F CB -0.430 38.526 39.000 -0.073 0.000 0.997 774 F HN 0.206 nan 8.300 nan 0.000 0.479 775 A N -0.583 122.073 122.820 -0.273 0.000 2.076 775 A HA -0.219 4.095 4.320 -0.011 0.000 0.220 775 A C 1.430 179.015 177.584 0.001 0.000 1.160 775 A CA 2.055 53.863 52.037 -0.382 0.000 0.653 775 A CB -0.485 18.416 19.000 -0.164 0.000 0.801 775 A HN 0.261 nan 8.150 nan 0.000 0.455 776 D N -3.118 117.339 120.400 0.095 0.000 2.398 776 D HA 0.105 4.738 4.640 -0.011 0.000 0.210 776 D C 1.165 177.624 176.300 0.266 0.000 1.094 776 D CA -0.088 54.040 54.000 0.213 0.000 0.839 776 D CB -0.142 40.793 40.800 0.226 0.000 0.963 776 D HN 0.566 nan 8.370 nan 0.000 0.506 777 Y N 2.045 122.426 120.300 0.134 0.000 2.053 777 Y HA -0.248 4.295 4.550 -0.011 0.000 0.277 777 Y C 2.104 178.083 175.900 0.132 0.000 1.159 777 Y CA 1.983 60.171 58.100 0.146 0.000 1.125 777 Y CB 0.159 38.678 38.460 0.099 0.000 0.969 777 Y HN -0.099 nan 8.280 nan 0.000 0.492 778 E N -0.124 120.127 120.200 0.085 0.000 2.058 778 E HA -0.264 4.079 4.350 -0.011 0.000 0.194 778 E C 2.205 178.764 176.600 -0.069 0.000 0.997 778 E CA 1.621 58.000 56.400 -0.035 0.000 0.801 778 E CB -0.174 29.615 29.700 0.148 0.000 0.746 778 E HN 0.635 nan 8.360 nan 0.000 0.450 779 E N -0.434 119.799 120.200 0.055 0.000 2.150 779 E HA -0.180 4.163 4.350 -0.011 0.000 0.193 779 E C 1.860 178.420 176.600 -0.066 0.000 0.985 779 E CA 0.547 56.997 56.400 0.083 0.000 0.814 779 E CB -0.050 29.799 29.700 0.248 0.000 0.752 779 E HN 0.262 nan 8.360 nan 0.000 0.466 780 Y N 0.910 120.976 120.300 -0.391 0.000 2.163 780 Y HA -0.203 4.340 4.550 -0.011 0.000 0.288 780 Y C 2.044 177.524 175.900 -0.699 0.000 1.136 780 Y CA 0.984 58.508 58.100 -0.959 0.000 1.147 780 Y CB -0.427 37.536 38.460 -0.827 0.000 0.987 780 Y HN -0.198 nan 8.280 nan 0.000 0.509 781 V N 0.753 120.295 119.914 -0.620 0.000 2.295 781 V HA -0.313 3.800 4.120 -0.011 0.000 0.246 781 V C 2.333 178.189 176.094 -0.397 0.000 1.049 781 V CA 2.345 64.304 62.300 -0.569 0.000 1.024 781 V CB -0.592 30.924 31.823 -0.511 0.000 0.648 781 V HN 0.310 nan 8.190 nan 0.000 0.447 782 K N -0.891 119.343 120.400 -0.276 0.000 2.057 782 K HA -0.233 4.080 4.320 -0.011 0.000 0.207 782 K C 2.305 178.810 176.600 -0.159 0.000 1.049 782 K CA 1.782 57.974 56.287 -0.158 0.000 0.931 782 K CB -0.617 31.837 32.500 -0.076 0.000 0.714 782 K HN 0.545 nan 8.250 nan 0.000 0.440 783 C N 1.465 120.642 119.300 -0.206 0.000 2.429 783 C HA -0.103 4.350 4.460 -0.011 0.000 0.277 783 C C 2.625 177.449 174.990 -0.277 0.000 1.262 783 C CA 0.848 59.780 59.018 -0.143 0.000 1.733 783 C CB -0.672 26.992 27.740 -0.126 0.000 2.010 783 C HN 0.434 nan 8.230 nan 0.000 0.483 784 Q N 0.312 119.796 119.800 -0.527 0.000 2.226 784 Q HA -0.169 4.165 4.340 -0.011 0.000 0.204 784 Q C 1.958 177.772 176.000 -0.311 0.000 0.975 784 Q CA 1.534 56.985 55.803 -0.587 0.000 0.866 784 Q CB -0.340 27.796 28.738 -1.004 0.000 0.915 784 Q HN 0.760 nan 8.270 nan 0.000 0.440 785 E N 0.065 120.141 120.200 -0.208 0.000 2.107 785 E HA -0.100 4.243 4.350 -0.011 0.000 0.191 785 E C 1.999 178.575 176.600 -0.039 0.000 0.982 785 E CA 0.451 56.792 56.400 -0.097 0.000 0.809 785 E CB 0.116 29.775 29.700 -0.070 0.000 0.756 785 E HN 0.257 nan 8.360 nan 0.000 0.459 786 R N 0.261 120.754 120.500 -0.012 0.000 2.148 786 R HA -0.058 4.276 4.340 -0.011 0.000 0.227 786 R C 2.289 178.677 176.300 0.146 0.000 1.103 786 R CA 0.744 56.916 56.100 0.120 0.000 0.983 786 R CB -0.216 30.221 30.300 0.227 0.000 0.874 786 R HN 0.075 nan 8.270 nan 0.000 0.451 787 V N 0.540 120.360 119.914 -0.158 0.000 2.379 787 V HA -0.190 3.923 4.120 -0.011 0.000 0.245 787 V C 2.160 178.284 176.094 0.051 0.000 1.044 787 V CA 1.790 63.870 62.300 -0.368 0.000 1.036 787 V CB -0.248 31.168 31.823 -0.678 0.000 0.664 787 V HN 0.255 nan 8.190 nan 0.000 0.453 788 S N -0.098 115.589 115.700 -0.022 0.000 2.399 788 S HA -0.114 4.349 4.470 -0.011 0.000 0.231 788 S C 2.149 176.823 174.600 0.124 0.000 1.022 788 S CA 1.280 59.493 58.200 0.022 0.000 0.983 788 S CB -0.314 62.865 63.200 -0.036 0.000 0.803 788 S HN 0.639 nan 8.310 nan 0.000 0.480 789 A N 1.161 124.062 122.820 0.135 0.000 1.897 789 A HA 0.089 4.402 4.320 -0.011 0.000 0.215 789 A C 2.053 179.765 177.584 0.213 0.000 1.181 789 A CA 0.849 52.979 52.037 0.154 0.000 0.620 789 A CB -0.620 18.459 19.000 0.131 0.000 0.821 789 A HN 0.460 nan 8.150 nan 0.000 0.443 790 L N -1.853 119.565 121.223 0.324 0.000 2.093 790 L HA -0.146 4.187 4.340 -0.011 0.000 0.208 790 L C 2.435 179.609 176.870 0.507 0.000 1.085 790 L CA 1.740 56.845 54.840 0.442 0.000 0.755 790 L CB -0.431 41.993 42.059 0.608 0.000 0.904 790 L HN 0.591 nan 8.230 nan 0.000 0.435 791 Y N 0.900 121.355 120.300 0.259 0.000 2.333 791 Y HA -0.260 4.284 4.550 -0.010 0.000 0.290 791 Y C 2.418 178.235 175.900 -0.139 0.000 1.144 791 Y CA 1.563 59.495 58.100 -0.279 0.000 1.228 791 Y CB -0.042 38.037 38.460 -0.636 0.000 0.985 791 Y HN 0.051 nan 8.280 nan 0.000 0.542 792 K N 0.005 120.438 120.400 0.054 0.000 2.439 792 K HA -0.098 4.216 4.320 -0.011 0.000 0.197 792 K C 0.306 176.889 176.600 -0.029 0.000 1.041 792 K CA 0.548 56.849 56.287 0.023 0.000 0.970 792 K CB -0.045 32.515 32.500 0.100 0.000 0.773 792 K HN 0.048 nan 8.250 nan 0.000 0.479 793 N N 0.311 119.010 118.700 -0.001 0.000 2.904 793 N HA 0.136 4.870 4.740 -0.011 0.000 0.257 793 N C -2.439 173.078 175.510 0.011 0.000 1.363 793 N CA -2.113 50.945 53.050 0.015 0.000 0.856 793 N CB 1.025 39.555 38.487 0.071 0.000 1.166 793 N HN -0.182 nan 8.380 nan 0.000 0.499 794 P HA -0.260 nan 4.420 nan 0.000 0.222 794 P C 1.442 178.758 177.300 0.025 0.000 1.159 794 P CA 1.443 64.475 63.100 -0.115 0.000 0.920 794 P CB 0.337 31.947 31.700 -0.150 0.000 0.793 795 R N -0.479 120.034 120.500 0.023 0.000 2.083 795 R HA -0.171 4.162 4.340 -0.011 0.000 0.237 795 R C 2.088 178.436 176.300 0.080 0.000 1.137 795 R CA 1.479 57.606 56.100 0.045 0.000 0.951 795 R CB -0.332 29.985 30.300 0.028 0.000 0.851 795 R HN 0.146 nan 8.270 nan 0.000 0.434 796 E N -0.313 119.945 120.200 0.096 0.000 2.158 796 E HA -0.204 4.139 4.350 -0.011 0.000 0.191 796 E C 1.560 178.248 176.600 0.146 0.000 0.982 796 E CA 0.565 57.026 56.400 0.103 0.000 0.823 796 E CB -0.402 29.355 29.700 0.095 0.000 0.766 796 E HN 0.504 nan 8.360 nan 0.000 0.468 797 W N 2.150 123.455 121.300 0.008 0.000 2.354 797 W HA -0.174 4.479 4.660 -0.012 0.000 0.315 797 W C 1.577 178.113 176.519 0.028 0.000 1.206 797 W CA 2.074 59.440 57.345 0.036 0.000 1.290 797 W CB -0.448 29.007 29.460 -0.009 0.000 1.152 797 W HN 0.023 nan 8.180 nan 0.000 0.489 798 T N 1.267 115.988 114.554 0.279 0.000 2.833 798 T HA -0.163 4.180 4.350 -0.011 0.000 0.269 798 T C 1.857 176.594 174.700 0.062 0.000 1.054 798 T CA 1.598 63.792 62.100 0.156 0.000 1.135 798 T CB -0.259 68.677 68.868 0.114 0.000 0.869 798 T HN 0.184 nan 8.240 nan 0.000 0.466 799 R N 0.400 120.936 120.500 0.060 0.000 2.092 799 R HA 0.108 4.442 4.340 -0.011 0.000 0.231 799 R C 2.503 178.809 176.300 0.011 0.000 1.119 799 R CA 1.182 57.312 56.100 0.050 0.000 0.970 799 R CB -0.350 29.979 30.300 0.049 0.000 0.864 799 R HN 0.362 nan 8.270 nan 0.000 0.440 800 M N 0.572 120.145 119.600 -0.047 0.000 2.175 800 M HA -0.143 4.331 4.480 -0.011 0.000 0.264 800 M C 1.974 178.206 176.300 -0.114 0.000 1.063 800 M CA 1.392 56.627 55.300 -0.108 0.000 1.119 800 M CB 0.128 32.602 32.600 -0.209 0.000 1.377 800 M HN -0.039 nan 8.290 nan 0.000 0.415 801 V N 0.837 120.669 119.914 -0.137 0.000 2.287 801 V HA -0.316 3.797 4.120 -0.011 0.000 0.248 801 V C 2.223 178.318 176.094 0.003 0.000 1.053 801 V CA 2.109 64.358 62.300 -0.086 0.000 1.027 801 V CB -0.613 31.187 31.823 -0.039 0.000 0.646 801 V HN 0.524 nan 8.190 nan 0.000 0.447 802 I N -0.566 120.030 120.570 0.044 0.000 2.264 802 I HA -0.270 3.893 4.170 -0.011 0.000 0.248 802 I C 2.635 178.811 176.117 0.099 0.000 1.111 802 I CA 1.586 62.958 61.300 0.120 0.000 1.382 802 I CB -0.379 37.743 38.000 0.203 0.000 1.060 802 I HN 0.230 nan 8.210 nan 0.000 0.418 803 R N 0.174 120.708 120.500 0.056 0.000 2.189 803 R HA -0.041 4.292 4.340 -0.011 0.000 0.218 803 R C 1.909 178.245 176.300 0.060 0.000 1.074 803 R CA 0.756 56.885 56.100 0.049 0.000 0.991 803 R CB -0.292 30.022 30.300 0.023 0.000 0.883 803 R HN 0.522 nan 8.270 nan 0.000 0.457 804 N N 0.699 119.432 118.700 0.055 0.000 2.197 804 N HA -0.022 4.711 4.740 -0.011 0.000 0.184 804 N C 1.909 177.480 175.510 0.103 0.000 1.030 804 N CA 0.890 53.993 53.050 0.089 0.000 0.851 804 N CB 0.082 38.596 38.487 0.045 0.000 1.003 804 N HN 0.090 nan 8.380 nan 0.000 0.430 805 I N 1.612 122.231 120.570 0.082 0.000 2.264 805 I HA -0.222 3.942 4.170 -0.011 0.000 0.248 805 I C 2.361 178.526 176.117 0.079 0.000 1.111 805 I CA 0.833 62.183 61.300 0.084 0.000 1.382 805 I CB -0.249 37.796 38.000 0.075 0.000 1.060 805 I HN 0.087 nan 8.210 nan 0.000 0.418 806 A N 0.196 123.063 122.820 0.078 0.000 2.121 806 A HA -0.129 4.184 4.320 -0.011 0.000 0.218 806 A C 2.005 179.620 177.584 0.053 0.000 1.154 806 A CA 1.862 53.933 52.037 0.056 0.000 0.679 806 A CB -0.769 18.266 19.000 0.059 0.000 0.795 806 A HN 0.523 nan 8.150 nan 0.000 0.458 807 T N -3.165 111.436 114.554 0.080 0.000 3.182 807 T HA 0.190 4.533 4.350 -0.011 0.000 0.277 807 T C 1.049 175.832 174.700 0.140 0.000 1.013 807 T CA 0.578 62.728 62.100 0.084 0.000 0.900 807 T CB -0.195 68.724 68.868 0.085 0.000 1.098 807 T HN 0.434 nan 8.240 nan 0.000 0.543 808 S N 0.020 115.820 115.700 0.166 0.000 2.575 808 S HA 0.274 4.737 4.470 -0.011 0.000 0.215 808 S C 2.205 176.913 174.600 0.180 0.000 0.966 808 S CA 0.226 58.599 58.200 0.288 0.000 0.911 808 S CB -0.512 62.845 63.200 0.261 0.000 0.780 808 S HN 0.516 nan 8.310 nan 0.000 0.514 809 G N 2.705 111.541 108.800 0.060 0.000 2.475 809 G HA2 -0.287 3.666 3.960 -0.011 0.000 0.220 809 G HA3 -0.287 3.666 3.960 -0.011 0.000 0.220 809 G C 1.336 176.180 174.900 -0.094 0.000 1.125 809 G CA 1.023 46.128 45.100 0.009 0.000 0.755 809 G HN 0.578 nan 8.290 nan 0.000 0.565 810 K N -0.114 120.115 120.400 -0.285 0.000 2.209 810 K HA -0.030 4.283 4.320 -0.011 0.000 0.204 810 K C 1.217 177.455 176.600 -0.603 0.000 1.048 810 K CA 0.662 56.632 56.287 -0.529 0.000 0.940 810 K CB -0.249 31.748 32.500 -0.838 0.000 0.729 810 K HN 0.420 nan 8.250 nan 0.000 0.451 811 F N 1.076 121.054 119.950 0.046 0.000 2.676 811 F HA 0.098 4.618 4.527 -0.012 0.000 0.300 811 F C 0.837 176.680 175.800 0.072 0.000 1.160 811 F CA -0.526 57.508 58.000 0.057 0.000 1.401 811 F CB 0.321 39.352 39.000 0.052 0.000 1.037 811 F HN -0.116 nan 8.300 nan 0.000 0.522 812 S N 0.173 115.945 115.700 0.120 0.000 2.545 812 S HA 0.110 4.573 4.470 -0.011 0.000 0.275 812 S C 1.383 176.057 174.600 0.124 0.000 1.299 812 S CA -0.286 57.989 58.200 0.124 0.000 1.048 812 S CB 1.017 64.263 63.200 0.076 0.000 0.938 812 S HN 0.307 nan 8.310 nan 0.000 0.496 813 S N 2.979 118.778 115.700 0.164 0.000 2.547 813 S HA -0.065 4.398 4.470 -0.011 0.000 0.235 813 S C 0.843 175.480 174.600 0.062 0.000 0.980 813 S CA 0.657 58.968 58.200 0.185 0.000 0.941 813 S CB -0.356 63.029 63.200 0.309 0.000 0.763 813 S HN 0.782 nan 8.310 nan 0.000 0.532 814 D N 1.849 122.276 120.400 0.046 0.000 2.123 814 D HA -0.038 4.596 4.640 -0.011 0.000 0.200 814 D C 2.111 178.405 176.300 -0.010 0.000 0.976 814 D CA 0.681 54.687 54.000 0.009 0.000 0.831 814 D CB -0.297 40.510 40.800 0.012 0.000 0.974 814 D HN 0.280 nan 8.370 nan 0.000 0.469 815 R N 0.742 121.239 120.500 -0.004 0.000 2.066 815 R HA -0.084 4.249 4.340 -0.011 0.000 0.232 815 R C 1.832 178.114 176.300 -0.030 0.000 1.131 815 R CA 1.402 57.486 56.100 -0.026 0.000 0.955 815 R CB -0.688 29.585 30.300 -0.045 0.000 0.851 815 R HN 0.131 nan 8.270 nan 0.000 0.432 816 T N 2.167 116.723 114.554 0.003 0.000 2.684 816 T HA -0.125 4.218 4.350 -0.011 0.000 0.267 816 T C 1.941 176.625 174.700 -0.027 0.000 1.036 816 T CA 1.336 63.454 62.100 0.029 0.000 1.148 816 T CB -0.136 68.815 68.868 0.140 0.000 0.863 816 T HN 0.099 nan 8.240 nan 0.000 0.436 817 I N 1.782 122.256 120.570 -0.159 0.000 2.286 817 I HA -0.083 4.080 4.170 -0.011 0.000 0.248 817 I C 2.915 178.976 176.117 -0.094 0.000 1.115 817 I CA 0.910 62.083 61.300 -0.211 0.000 1.392 817 I CB -1.645 36.235 38.000 -0.200 0.000 1.065 817 I HN 0.205 nan 8.210 nan 0.000 0.418 818 A N -0.014 122.770 122.820 -0.060 0.000 1.972 818 A HA -0.225 4.088 4.320 -0.011 0.000 0.219 818 A C 2.252 179.789 177.584 -0.079 0.000 1.169 818 A CA 1.361 53.373 52.037 -0.043 0.000 0.635 818 A CB -0.495 18.487 19.000 -0.031 0.000 0.810 818 A HN 0.509 nan 8.150 nan 0.000 0.446 819 Q N -2.014 117.719 119.800 -0.111 0.000 2.096 819 Q HA -0.125 4.209 4.340 -0.011 0.000 0.197 819 Q C 1.887 177.715 176.000 -0.287 0.000 0.964 819 Q CA 1.419 57.118 55.803 -0.172 0.000 0.838 819 Q CB -0.244 28.382 28.738 -0.186 0.000 0.906 819 Q HN 0.814 nan 8.270 nan 0.000 0.444 820 Y N 0.634 120.642 120.300 -0.488 0.000 2.114 820 Y HA -0.287 4.257 4.550 -0.011 0.000 0.284 820 Y C 2.464 177.786 175.900 -0.964 0.000 1.143 820 Y CA 1.340 58.905 58.100 -0.892 0.000 1.135 820 Y CB -0.468 37.173 38.460 -1.366 0.000 0.980 820 Y HN 0.153 nan 8.280 nan 0.000 0.499 821 A N 0.393 122.960 122.820 -0.422 0.000 1.873 821 A HA -0.267 4.046 4.320 -0.011 0.000 0.218 821 A C 2.271 179.855 177.584 -0.001 0.000 1.193 821 A CA 2.312 54.351 52.037 0.004 0.000 0.629 821 A CB -0.638 18.435 19.000 0.120 0.000 0.826 821 A HN 0.439 nan 8.150 nan 0.000 0.447 822 R N -0.856 119.607 120.500 -0.061 0.000 2.075 822 R HA -0.040 4.294 4.340 -0.011 0.000 0.226 822 R C 1.925 178.193 176.300 -0.053 0.000 1.114 822 R CA 1.493 57.571 56.100 -0.037 0.000 0.972 822 R CB -0.249 30.026 30.300 -0.042 0.000 0.869 822 R HN 0.661 nan 8.270 nan 0.000 0.437 823 E N -0.321 119.807 120.200 -0.121 0.000 2.442 823 E HA 0.071 4.414 4.350 -0.011 0.000 0.195 823 E C 1.440 177.982 176.600 -0.096 0.000 1.030 823 E CA 0.493 56.828 56.400 -0.109 0.000 0.869 823 E CB 0.475 30.085 29.700 -0.150 0.000 0.857 823 E HN 0.328 nan 8.360 nan 0.000 0.505 824 I N -1.506 118.969 120.570 -0.158 0.000 3.873 824 I HA 0.026 4.189 4.170 -0.011 0.000 0.284 824 I C 1.251 177.495 176.117 0.212 0.000 1.186 824 I CA -0.092 61.174 61.300 -0.057 0.000 1.362 824 I CB 0.191 38.014 38.000 -0.294 0.000 1.432 824 I HN 0.117 nan 8.210 nan 0.000 0.454 825 W N 1.593 122.985 121.300 0.154 0.000 2.576 825 W HA 0.313 4.967 4.660 -0.011 0.000 0.270 825 W C 1.626 178.180 176.519 0.058 0.000 1.255 825 W CA 0.904 58.320 57.345 0.118 0.000 1.314 825 W CB -1.025 28.492 29.460 0.095 0.000 1.101 825 W HN 0.338 nan 8.180 nan 0.000 0.595 826 G N 0.803 109.740 108.800 0.228 0.000 2.182 826 G HA2 -0.143 3.811 3.960 -0.011 0.000 0.248 826 G HA3 -0.143 3.811 3.960 -0.011 0.000 0.248 826 G C -0.238 174.730 174.900 0.114 0.000 1.042 826 G CA 0.206 45.382 45.100 0.127 0.000 0.775 826 G HN 0.409 nan 8.290 nan 0.000 0.501 827 V N -4.008 115.995 119.914 0.149 0.000 2.823 827 V HA 0.906 5.019 4.120 -0.011 0.000 0.312 827 V C -0.309 175.838 176.094 0.088 0.000 1.072 827 V CA -1.658 60.708 62.300 0.109 0.000 0.937 827 V CB 2.315 34.211 31.823 0.121 0.000 1.013 827 V HN 0.097 nan 8.190 nan 0.000 0.430 828 E N 4.221 124.455 120.200 0.057 0.000 2.146 828 E HA 0.501 4.844 4.350 -0.011 0.000 0.282 828 E C -2.470 174.157 176.600 0.046 0.000 0.989 828 E CA -1.814 54.613 56.400 0.044 0.000 0.799 828 E CB 1.725 31.444 29.700 0.032 0.000 1.088 828 E HN 0.757 nan 8.360 nan 0.000 0.397 829 P HA 0.080 nan 4.420 nan 0.000 0.272 829 P C -0.559 176.764 177.300 0.038 0.000 1.223 829 P CA -0.307 62.819 63.100 0.043 0.000 0.784 829 P CB 0.888 32.609 31.700 0.036 0.000 0.923 830 S N 1.587 117.312 115.700 0.042 0.000 2.614 830 S HA 0.344 4.807 4.470 -0.011 0.000 0.288 830 S C 0.305 174.929 174.600 0.039 0.000 1.137 830 S CA -0.846 57.378 58.200 0.041 0.000 0.992 830 S CB 1.179 64.411 63.200 0.052 0.000 1.026 830 S HN 0.281 nan 8.310 nan 0.000 0.486 831 R N 2.485 123.004 120.500 0.031 0.000 2.480 831 R HA 0.197 4.531 4.340 -0.011 0.000 0.277 831 R C -0.024 176.288 176.300 0.021 0.000 1.008 831 R CA -0.031 56.086 56.100 0.029 0.000 1.090 831 R CB 0.049 30.366 30.300 0.028 0.000 1.234 831 R HN 0.691 nan 8.270 nan 0.000 0.549 832 Q N 1.069 120.882 119.800 0.021 0.000 2.296 832 Q HA 0.115 4.448 4.340 -0.011 0.000 0.262 832 Q C -0.290 175.707 176.000 -0.006 0.000 0.981 832 Q CA 0.008 55.817 55.803 0.010 0.000 0.905 832 Q CB 0.988 29.737 28.738 0.018 0.000 1.186 832 Q HN -0.112 nan 8.270 nan 0.000 0.399 833 R N 1.732 122.220 120.500 -0.021 0.000 2.623 833 R HA 0.079 4.412 4.340 -0.011 0.000 0.271 833 R C -0.680 175.585 176.300 -0.059 0.000 1.043 833 R CA -0.155 55.921 56.100 -0.041 0.000 1.083 833 R CB 0.271 30.544 30.300 -0.045 0.000 0.974 833 R HN 0.409 nan 8.270 nan 0.000 0.436 834 L N 6.205 127.379 121.223 -0.080 0.000 2.371 834 L HA 0.293 4.626 4.340 -0.011 0.000 0.272 834 L C -1.733 175.073 176.870 -0.106 0.000 1.124 834 L CA -2.067 52.694 54.840 -0.130 0.000 0.816 834 L CB 0.934 42.901 42.059 -0.153 0.000 1.129 834 L HN 0.618 nan 8.230 nan 0.000 0.448 835 P HA -0.028 nan 4.420 nan 0.000 0.165 835 P C 0.100 177.367 177.300 -0.056 0.000 1.190 835 P CA 0.680 63.734 63.100 -0.076 0.000 1.111 835 P CB -0.716 30.938 31.700 -0.076 0.000 1.648 836 A N 2.869 125.660 122.820 -0.049 0.000 6.807 836 A HA -0.162 4.151 4.320 -0.011 0.000 0.291 836 A C -2.151 175.417 177.584 -0.027 0.000 2.085 836 A CA 0.066 52.083 52.037 -0.034 0.000 0.945 836 A CB -2.370 16.616 19.000 -0.023 0.000 1.037 836 A HN 0.390 nan 8.150 nan 0.000 0.429 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.102 63.100 0.003 0.000 0.800 837 P CB 0.000 31.714 31.700 0.023 0.000 0.726