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 1cgy_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSVSNKQ NFSTDVIYQI FTDRFSDGNP ANNPTGAAFD GTcTNLRLYc DATA SEQUENCE GGDWQGIINK INDGYLTGMG VTAIWISQPV ENIYSIINYS GVNNTAYHGY DATA SEQUENCE WARDFKKTNP AYGTIADFQN LIAAAHAKNI KVIIDFAPNH TSPASSDQPS DATA SEQUENCE FAENGRLYDN GTLLGGYTND TQNLFHHNGG TDFSTTENGI YKNLWDLADL DATA SEQUENCE NHNNSTVDVY LKDAIKMWLD LGIDGIRMDA VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKC DATA SEQUENCE NPAIAYGSTQ ERWINNDVLI YERKFGSNVA VVAVNRNLNA PASISGLVTS DATA SEQUENCE LPQGSYNDVL GGLLNGNTLS VGSGGAASNF TLAAGGTAVW QYTAATATPT DATA SEQUENCE IGHVGPMMAK PGVTITIDGR GFGSSKGTVY FGTTAVSGAD ITSWEDTQIK DATA SEQUENCE VKIPAVAGGN YNIKVANAAG TASNVYDNFE VLSGDQVSVR FVVNNATTAL DATA SEQUENCE GQNVYLTGSV SELGNWDPAK AIGPMYNQVV YQYPNWYYDV SVPAGKTIEF DATA SEQUENCE KFLKKQGSTV TWEGGSNHTF TAPSSGTATI NVNWQP 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.565 177.584 -0.031 0.000 1.274 1 A CA 0.000 52.019 52.037 -0.030 0.000 0.836 1 A CB 0.000 18.970 19.000 -0.049 0.000 0.831 2 P HA 0.256 nan 4.420 nan 0.000 0.274 2 P C 0.057 177.323 177.300 -0.057 0.000 1.246 2 P CA 0.173 63.248 63.100 -0.041 0.000 0.795 2 P CB 0.527 32.198 31.700 -0.047 0.000 1.006 3 D N -0.045 120.327 120.400 -0.047 0.000 2.158 3 D HA -0.196 4.444 4.640 -0.000 0.000 0.197 3 D C 1.202 177.441 176.300 -0.101 0.000 0.995 3 D CA 2.345 56.316 54.000 -0.050 0.000 0.846 3 D CB -1.825 38.980 40.800 0.008 0.000 0.941 3 D HN 0.468 nan 8.370 nan 0.000 0.456 4 T N -2.371 112.115 114.554 -0.113 0.000 3.118 4 T HA -0.014 4.336 4.350 -0.000 0.000 0.260 4 T C 1.123 175.724 174.700 -0.165 0.000 1.139 4 T CA 0.302 62.309 62.100 -0.156 0.000 1.085 4 T CB -0.457 68.326 68.868 -0.142 0.000 0.934 4 T HN 0.266 nan 8.240 nan 0.000 0.518 5 S N 0.574 116.190 115.700 -0.141 0.000 2.568 5 S HA 0.127 4.597 4.470 -0.000 0.000 0.282 5 S C 1.497 175.983 174.600 -0.190 0.000 1.338 5 S CA -0.353 57.761 58.200 -0.144 0.000 1.045 5 S CB 1.159 64.291 63.200 -0.113 0.000 0.873 5 S HN 0.184 nan 8.310 nan 0.000 0.516 6 V N 4.216 124.017 119.914 -0.189 0.000 2.660 6 V HA -0.126 3.994 4.120 -0.000 0.000 0.257 6 V C 2.388 178.322 176.094 -0.266 0.000 1.088 6 V CA 2.629 64.792 62.300 -0.230 0.000 1.106 6 V CB -1.051 30.653 31.823 -0.199 0.000 0.686 6 V HN 1.080 nan 8.190 nan 0.000 0.481 7 S N -0.313 115.256 115.700 -0.219 0.000 2.561 7 S HA -0.000 4.470 4.470 -0.000 0.000 0.225 7 S C 1.091 175.601 174.600 -0.150 0.000 0.977 7 S CA 0.340 58.422 58.200 -0.197 0.000 0.926 7 S CB -0.667 62.444 63.200 -0.148 0.000 0.769 7 S HN 0.611 nan 8.310 nan 0.000 0.533 8 N N 2.617 121.211 118.700 -0.176 0.000 2.498 8 N HA 0.148 4.888 4.740 -0.000 0.000 0.277 8 N C 0.281 175.713 175.510 -0.129 0.000 1.208 8 N CA 0.105 53.068 53.050 -0.146 0.000 1.029 8 N CB 0.231 38.615 38.487 -0.171 0.000 1.403 8 N HN 0.466 nan 8.380 nan 0.000 0.500 9 K N 1.629 122.029 120.400 0.000 0.000 2.487 9 K HA -0.002 4.318 4.320 -0.000 0.000 0.192 9 K C 0.562 177.354 176.600 0.319 0.000 1.027 9 K CA 0.528 56.917 56.287 0.169 0.000 1.054 9 K CB 0.483 33.088 32.500 0.176 0.000 0.824 9 K HN 0.403 nan 8.250 nan 0.000 0.510 10 Q N -0.067 119.865 119.800 0.219 0.000 2.317 10 Q HA 0.103 4.443 4.340 -0.000 0.000 0.220 10 Q C -0.408 175.799 176.000 0.344 0.000 0.873 10 Q CA 0.108 56.098 55.803 0.311 0.000 0.936 10 Q CB 0.658 29.532 28.738 0.227 0.000 1.105 10 Q HN 0.054 nan 8.270 nan 0.000 0.520 11 N N -0.751 118.003 118.700 0.090 0.000 2.397 11 N HA 0.197 4.937 4.740 -0.000 0.000 0.291 11 N C -1.340 173.978 175.510 -0.319 0.000 1.065 11 N CA -0.317 52.587 53.050 -0.244 0.000 0.884 11 N CB 0.650 38.905 38.487 -0.386 0.000 1.551 11 N HN -0.136 nan 8.380 nan 0.000 0.487 12 F N 1.014 120.510 119.950 -0.756 0.000 2.706 12 F HA 0.293 4.820 4.527 -0.000 0.000 0.313 12 F C 1.963 177.445 175.800 -0.531 0.000 1.096 12 F CA -0.103 57.482 58.000 -0.692 0.000 1.219 12 F CB 0.278 38.694 39.000 -0.972 0.000 1.051 12 F HN 0.431 nan 8.300 nan 0.000 0.568 13 S N -0.386 115.104 115.700 -0.350 0.000 2.402 13 S HA -0.225 4.245 4.470 -0.000 0.000 0.233 13 S C 2.170 176.541 174.600 -0.382 0.000 1.030 13 S CA 2.052 60.059 58.200 -0.322 0.000 1.003 13 S CB -0.689 62.354 63.200 -0.261 0.000 0.813 13 S HN 0.547 nan 8.310 nan 0.000 0.477 14 T N -0.358 113.953 114.554 -0.404 0.000 3.107 14 T HA 0.120 4.470 4.350 -0.000 0.000 0.249 14 T C 0.111 174.639 174.700 -0.287 0.000 1.096 14 T CA -0.249 61.625 62.100 -0.377 0.000 1.012 14 T CB -0.083 68.561 68.868 -0.374 0.000 0.977 14 T HN 0.149 nan 8.240 nan 0.000 0.527 15 D N 0.785 121.025 120.400 -0.265 0.000 2.385 15 D HA 0.503 5.143 4.640 -0.000 0.000 0.254 15 D C -0.810 175.418 176.300 -0.119 0.000 1.053 15 D CA -0.521 53.360 54.000 -0.198 0.000 0.992 15 D CB 2.402 43.065 40.800 -0.228 0.000 1.145 15 D HN 0.045 nan 8.370 nan 0.000 0.523 16 V N 1.664 121.538 119.914 -0.066 0.000 2.443 16 V HA 0.314 4.434 4.120 -0.000 0.000 0.293 16 V C 0.123 176.261 176.094 0.072 0.000 1.021 16 V CA -0.677 61.613 62.300 -0.017 0.000 0.848 16 V CB 1.392 33.192 31.823 -0.037 0.000 0.998 16 V HN 0.351 nan 8.190 nan 0.000 0.424 17 I N 4.625 125.272 120.570 0.129 0.000 2.365 17 I HA 0.324 4.494 4.170 -0.000 0.000 0.291 17 I C -0.796 175.492 176.117 0.285 0.000 1.004 17 I CA -0.526 60.918 61.300 0.240 0.000 1.311 17 I CB 0.944 39.116 38.000 0.287 0.000 1.401 17 I HN 0.591 nan 8.210 nan 0.000 0.491 18 Y N 6.400 126.798 120.300 0.164 0.000 2.417 18 Y HA 0.231 4.781 4.550 -0.000 0.000 0.336 18 Y C 0.151 176.126 175.900 0.125 0.000 0.961 18 Y CA -0.422 57.750 58.100 0.121 0.000 1.215 18 Y CB 0.749 39.244 38.460 0.057 0.000 1.120 18 Y HN 0.505 nan 8.280 nan 0.000 0.499 19 Q N 6.411 126.104 119.800 -0.178 0.000 2.293 19 Q HA 0.413 4.753 4.340 -0.000 0.000 0.263 19 Q C -1.275 174.539 176.000 -0.311 0.000 1.002 19 Q CA -0.071 55.543 55.803 -0.315 0.000 0.910 19 Q CB 0.557 29.007 28.738 -0.479 0.000 1.185 19 Q HN 0.783 nan 8.270 nan 0.000 0.401 20 I N 3.521 123.908 120.570 -0.305 0.000 2.509 20 I HA 0.260 4.430 4.170 -0.000 0.000 0.293 20 I C -0.879 175.093 176.117 -0.241 0.000 1.020 20 I CA -0.828 60.286 61.300 -0.311 0.000 1.088 20 I CB 1.375 39.139 38.000 -0.394 0.000 1.267 20 I HN 0.545 nan 8.210 nan 0.000 0.430 21 F N 4.595 124.238 119.950 -0.512 0.000 2.404 21 F HA 0.187 4.714 4.527 -0.000 0.000 0.359 21 F C 1.657 177.277 175.800 -0.301 0.000 1.134 21 F CA -0.089 57.724 58.000 -0.311 0.000 1.160 21 F CB 0.994 39.894 39.000 -0.167 0.000 1.186 21 F HN 0.531 nan 8.300 nan 0.000 0.526 22 T N 1.639 116.016 114.554 -0.294 0.000 2.624 22 T HA -0.313 4.037 4.350 -0.000 0.000 0.268 22 T C 1.691 176.352 174.700 -0.065 0.000 1.041 22 T CA 2.136 64.072 62.100 -0.272 0.000 1.159 22 T CB -0.252 68.199 68.868 -0.695 0.000 0.863 22 T HN 0.601 nan 8.240 nan 0.000 0.434 23 D N 0.524 120.945 120.400 0.035 0.000 2.182 23 D HA -0.101 4.539 4.640 -0.000 0.000 0.201 23 D C 1.965 178.367 176.300 0.169 0.000 0.986 23 D CA 0.787 54.916 54.000 0.216 0.000 0.847 23 D CB 0.102 41.110 40.800 0.347 0.000 0.942 23 D HN 0.160 nan 8.370 nan 0.000 0.467 24 R N -0.697 119.882 120.500 0.132 0.000 2.359 24 R HA 0.090 4.430 4.340 -0.000 0.000 0.231 24 R C 1.061 177.400 176.300 0.064 0.000 0.913 24 R CA -0.134 56.009 56.100 0.072 0.000 1.075 24 R CB -0.345 30.003 30.300 0.081 0.000 1.087 24 R HN 0.296 nan 8.270 nan 0.000 0.515 25 F N 0.790 120.687 119.950 -0.088 0.000 2.202 25 F HA 0.202 4.729 4.527 -0.000 0.000 0.279 25 F C 0.452 176.347 175.800 0.158 0.000 1.077 25 F CA 0.477 58.482 58.000 0.009 0.000 1.193 25 F CB 0.344 39.347 39.000 0.005 0.000 1.090 25 F HN -0.143 nan 8.300 nan 0.000 0.516 26 S N -0.013 115.779 115.700 0.153 0.000 2.626 26 S HA 0.200 4.670 4.470 -0.000 0.000 0.275 26 S C -1.749 172.917 174.600 0.109 0.000 1.175 26 S CA -0.852 57.383 58.200 0.058 0.000 0.982 26 S CB 0.769 63.921 63.200 -0.080 0.000 1.093 26 S HN 0.231 nan 8.310 nan 0.000 0.472 27 D N 3.802 124.258 120.400 0.092 0.000 2.470 27 D HA 0.354 4.994 4.640 -0.000 0.000 0.226 27 D C 1.329 177.670 176.300 0.068 0.000 1.196 27 D CA 0.288 54.344 54.000 0.093 0.000 0.979 27 D CB 0.313 41.179 40.800 0.111 0.000 1.059 27 D HN 0.720 nan 8.370 nan 0.000 0.515 28 G N 3.158 112.000 108.800 0.070 0.000 2.511 28 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.217 28 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.217 28 G C 0.709 175.637 174.900 0.045 0.000 1.133 28 G CA -0.128 45.006 45.100 0.056 0.000 0.792 28 G HN 0.519 nan 8.290 nan 0.000 0.539 29 N N -0.541 118.182 118.700 0.040 0.000 2.607 29 N HA 0.315 5.055 4.740 -0.000 0.000 0.271 29 N C -1.919 173.586 175.510 -0.008 0.000 1.142 29 N CA -1.772 51.289 53.050 0.019 0.000 0.810 29 N CB 2.294 40.797 38.487 0.027 0.000 1.306 29 N HN -0.217 nan 8.380 nan 0.000 0.536 30 P HA -0.092 nan 4.420 nan 0.000 0.220 30 P C 1.053 178.292 177.300 -0.102 0.000 1.148 30 P CA 0.982 64.052 63.100 -0.051 0.000 0.803 30 P CB 0.173 31.858 31.700 -0.026 0.000 0.782 31 A N 1.261 124.037 122.820 -0.073 0.000 2.024 31 A HA -0.209 4.111 4.320 -0.000 0.000 0.220 31 A C 1.780 179.295 177.584 -0.115 0.000 1.164 31 A CA 2.042 54.028 52.037 -0.084 0.000 0.643 31 A CB -1.558 17.412 19.000 -0.050 0.000 0.806 31 A HN 0.379 nan 8.150 nan 0.000 0.451 32 N N -0.120 118.512 118.700 -0.113 0.000 2.322 32 N HA 0.020 4.760 4.740 -0.000 0.000 0.194 32 N C -0.724 174.659 175.510 -0.212 0.000 1.126 32 N CA -0.217 52.750 53.050 -0.138 0.000 0.845 32 N CB -0.631 37.796 38.487 -0.100 0.000 0.976 32 N HN 0.244 nan 8.380 nan 0.000 0.475 33 N N 2.266 120.797 118.700 -0.281 0.000 2.497 33 N HA 0.231 4.971 4.740 -0.000 0.000 0.268 33 N C -2.327 172.867 175.510 -0.528 0.000 1.171 33 N CA -1.151 51.620 53.050 -0.464 0.000 0.948 33 N CB 0.204 38.220 38.487 -0.785 0.000 1.069 33 N HN 0.203 nan 8.380 nan 0.000 0.460 34 P HA 0.040 nan 4.420 nan 0.000 0.269 34 P C 0.152 177.258 177.300 -0.322 0.000 1.217 34 P CA -0.100 62.791 63.100 -0.348 0.000 0.783 34 P CB 0.383 31.893 31.700 -0.317 0.000 0.898 35 T N -2.799 111.673 114.554 -0.138 0.000 2.841 35 T HA 0.672 5.022 4.350 -0.000 0.000 0.276 35 T C 0.647 175.390 174.700 0.072 0.000 1.003 35 T CA -0.012 62.054 62.100 -0.056 0.000 0.995 35 T CB 0.984 69.803 68.868 -0.081 0.000 1.260 35 T HN 0.710 nan 8.240 nan 0.000 0.581 36 G N 0.739 109.592 108.800 0.088 0.000 2.582 36 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.288 36 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.288 36 G C 1.174 176.154 174.900 0.133 0.000 1.247 36 G CA 0.760 45.915 45.100 0.092 0.000 0.972 36 G HN 1.839 nan 8.290 nan 0.000 0.557 37 A N -0.529 122.351 122.820 0.100 0.000 2.178 37 A HA 0.396 4.716 4.320 -0.000 0.000 0.218 37 A C 2.641 180.306 177.584 0.135 0.000 1.157 37 A CA 2.598 54.694 52.037 0.098 0.000 0.689 37 A CB -0.613 18.431 19.000 0.073 0.000 0.787 37 A HN 2.204 nan 8.150 nan 0.000 0.465 38 A N -1.964 120.966 122.820 0.184 0.000 2.195 38 A HA 0.475 4.795 4.320 -0.000 0.000 0.210 38 A C 0.376 178.169 177.584 0.348 0.000 1.165 38 A CA 0.001 52.193 52.037 0.258 0.000 0.806 38 A CB -0.113 19.043 19.000 0.259 0.000 0.847 38 A HN 0.443 nan 8.150 nan 0.000 0.482 39 F N 0.123 120.133 119.950 0.101 0.000 2.480 39 F HA 0.598 5.125 4.527 -0.000 0.000 0.329 39 F C -1.181 174.656 175.800 0.061 0.000 1.091 39 F CA -1.655 56.400 58.000 0.091 0.000 0.972 39 F CB 1.764 40.788 39.000 0.041 0.000 1.150 39 F HN 0.015 nan 8.300 nan 0.000 0.467 40 D N 3.058 122.870 120.400 -0.980 0.000 2.337 40 D HA 0.238 4.878 4.640 -0.000 0.000 0.238 40 D C 0.750 176.483 176.300 -0.945 0.000 1.331 40 D CA -0.074 53.482 54.000 -0.740 0.000 0.967 40 D CB 0.840 41.452 40.800 -0.313 0.000 1.382 40 D HN 0.688 nan 8.370 nan 0.000 0.549 41 G N 1.551 109.697 108.800 -1.091 0.000 2.535 41 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 41 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 41 G C 1.299 176.077 174.900 -0.204 0.000 1.122 41 G CA 1.417 46.222 45.100 -0.491 0.000 0.769 41 G HN 0.534 nan 8.290 nan 0.000 0.549 42 T N -4.071 110.359 114.554 -0.207 0.000 3.067 42 T HA 0.032 4.382 4.350 -0.000 0.000 0.257 42 T C 1.298 175.927 174.700 -0.119 0.000 1.105 42 T CA 0.598 62.627 62.100 -0.118 0.000 1.104 42 T CB -0.412 68.401 68.868 -0.092 0.000 0.925 42 T HN 0.609 nan 8.240 nan 0.000 0.498 43 c N 1.757 120.253 118.600 -0.173 0.000 4.424 43 c HA -0.185 4.385 4.570 -0.000 0.000 0.304 43 c C 1.460 175.484 174.090 -0.110 0.000 1.344 43 c CA 0.915 57.157 56.329 -0.146 0.000 2.033 43 c CB -2.660 39.790 42.510 -0.100 0.000 1.264 43 c HN 0.782 nan 8.230 nan 0.000 0.750 44 T N -0.335 114.153 114.554 -0.109 0.000 3.031 44 T HA 0.021 4.371 4.350 -0.000 0.000 0.254 44 T C 0.692 175.346 174.700 -0.077 0.000 1.060 44 T CA 1.100 63.153 62.100 -0.078 0.000 1.135 44 T CB -0.147 68.681 68.868 -0.066 0.000 0.896 44 T HN 0.707 nan 8.240 nan 0.000 0.472 45 N N 2.093 120.735 118.700 -0.096 0.000 2.462 45 N HA 0.190 4.930 4.740 -0.000 0.000 0.242 45 N C 0.553 175.986 175.510 -0.127 0.000 1.010 45 N CA -0.269 52.730 53.050 -0.085 0.000 0.939 45 N CB 0.359 38.807 38.487 -0.065 0.000 1.127 45 N HN 0.208 nan 8.380 nan 0.000 0.509 46 L N 2.690 123.841 121.223 -0.119 0.000 2.622 46 L HA 0.048 4.388 4.340 -0.000 0.000 0.233 46 L C 1.365 178.062 176.870 -0.287 0.000 1.156 46 L CA 0.531 55.260 54.840 -0.184 0.000 0.866 46 L CB -0.034 41.958 42.059 -0.113 0.000 0.980 46 L HN 0.414 nan 8.230 nan 0.000 0.448 47 R N -1.314 119.078 120.500 -0.181 0.000 2.397 47 R HA 0.200 4.540 4.340 -0.000 0.000 0.241 47 R C -0.114 176.139 176.300 -0.080 0.000 0.914 47 R CA -0.307 55.739 56.100 -0.089 0.000 1.071 47 R CB 0.614 30.963 30.300 0.080 0.000 1.116 47 R HN 0.061 nan 8.270 nan 0.000 0.524 48 L N -0.672 120.454 121.223 -0.161 0.000 2.492 48 L HA 0.336 4.676 4.340 -0.000 0.000 0.263 48 L C -0.008 176.795 176.870 -0.112 0.000 1.062 48 L CA -1.216 53.596 54.840 -0.048 0.000 0.817 48 L CB -0.031 42.025 42.059 -0.005 0.000 1.441 48 L HN -0.098 nan 8.230 nan 0.000 0.493 49 Y N -1.111 119.224 120.300 0.059 0.000 2.299 49 Y HA 0.155 4.705 4.550 -0.000 0.000 0.326 49 Y C 1.006 176.948 175.900 0.071 0.000 1.164 49 Y CA 0.027 58.213 58.100 0.145 0.000 1.234 49 Y CB 1.114 39.745 38.460 0.285 0.000 1.219 49 Y HN 0.470 nan 8.280 nan 0.000 0.497 50 c N 0.532 119.282 118.600 0.251 0.000 3.019 50 c HA 0.346 4.916 4.570 -0.000 0.000 0.295 50 c C 1.643 175.966 174.090 0.388 0.000 1.256 50 c CA 0.398 56.794 56.329 0.112 0.000 1.706 50 c CB -0.332 42.181 42.510 0.005 0.000 2.153 50 c HN 1.220 nan 8.230 nan 0.000 0.618 51 G N 0.371 109.469 108.800 0.496 0.000 2.184 51 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.206 51 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.206 51 G C 0.373 175.413 174.900 0.233 0.000 0.995 51 G CA -0.109 45.227 45.100 0.393 0.000 0.651 51 G HN 0.785 nan 8.290 nan 0.000 0.511 52 G N 0.625 109.558 108.800 0.221 0.000 2.414 52 G HA2 0.525 4.485 3.960 -0.000 0.000 0.236 52 G HA3 0.525 4.485 3.960 -0.000 0.000 0.236 52 G C 0.088 175.057 174.900 0.115 0.000 1.293 52 G CA 1.172 46.369 45.100 0.162 0.000 0.869 52 G HN 1.044 nan 8.290 nan 0.000 0.556 53 D N -0.519 119.928 120.400 0.077 0.000 2.921 53 D HA 0.242 4.882 4.640 -0.000 0.000 0.329 53 D C 0.532 176.872 176.300 0.066 0.000 1.293 53 D CA -0.831 53.148 54.000 -0.037 0.000 0.964 53 D CB 0.184 40.974 40.800 -0.016 0.000 1.435 53 D HN 0.306 nan 8.370 nan 0.000 0.548 54 W N -0.449 120.915 121.300 0.107 0.000 2.381 54 W HA -0.003 4.657 4.660 -0.000 0.000 0.301 54 W C 2.159 178.719 176.519 0.068 0.000 1.205 54 W CA 0.937 58.329 57.345 0.079 0.000 1.285 54 W CB -1.013 28.515 29.460 0.113 0.000 1.133 54 W HN 0.501 nan 8.180 nan 0.000 0.521 55 Q N 0.410 120.374 119.800 0.273 0.000 2.061 55 Q HA -0.099 4.241 4.340 -0.000 0.000 0.204 55 Q C 2.417 178.499 176.000 0.138 0.000 0.984 55 Q CA 2.606 58.512 55.803 0.170 0.000 0.846 55 Q CB -1.149 27.661 28.738 0.120 0.000 0.902 55 Q HN 0.173 nan 8.270 nan 0.000 0.421 56 G N 0.571 109.457 108.800 0.143 0.000 2.476 56 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.218 56 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.218 56 G C 1.482 176.492 174.900 0.182 0.000 1.164 56 G CA 1.165 46.342 45.100 0.128 0.000 0.768 56 G HN 0.440 nan 8.290 nan 0.000 0.560 57 I N 0.479 121.217 120.570 0.280 0.000 2.163 57 I HA -0.184 3.985 4.170 -0.000 0.000 0.243 57 I C 2.722 178.944 176.117 0.176 0.000 1.085 57 I CA 0.955 62.435 61.300 0.301 0.000 1.347 57 I CB -0.275 37.863 38.000 0.231 0.000 1.044 57 I HN 0.151 nan 8.210 nan 0.000 0.408 58 I N 0.920 121.567 120.570 0.129 0.000 2.208 58 I HA -0.335 3.835 4.170 -0.000 0.000 0.245 58 I C 2.251 178.397 176.117 0.049 0.000 1.097 58 I CA 1.386 62.727 61.300 0.069 0.000 1.363 58 I CB -0.548 37.491 38.000 0.065 0.000 1.051 58 I HN 0.328 nan 8.210 nan 0.000 0.413 59 N N 0.864 119.591 118.700 0.044 0.000 2.069 59 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 59 N C 1.749 177.235 175.510 -0.039 0.000 1.031 59 N CA 1.175 54.222 53.050 -0.004 0.000 0.852 59 N CB -0.317 38.155 38.487 -0.026 0.000 1.018 59 N HN 0.202 nan 8.380 nan 0.000 0.423 60 K N 0.931 121.312 120.400 -0.032 0.000 2.283 60 K HA 0.065 4.385 4.320 -0.000 0.000 0.202 60 K C 2.067 178.692 176.600 0.042 0.000 1.048 60 K CA 0.305 56.553 56.287 -0.064 0.000 0.948 60 K CB -0.355 32.134 32.500 -0.019 0.000 0.742 60 K HN 0.321 nan 8.250 nan 0.000 0.458 61 I N 0.686 121.288 120.570 0.054 0.000 2.233 61 I HA -0.251 3.919 4.170 -0.000 0.000 0.243 61 I C 1.385 177.510 176.117 0.014 0.000 1.093 61 I CA 1.125 62.446 61.300 0.034 0.000 1.380 61 I CB -0.184 37.830 38.000 0.023 0.000 1.067 61 I HN 0.234 nan 8.210 nan 0.000 0.413 62 N N 0.637 119.340 118.700 0.006 0.000 2.396 62 N HA -0.170 4.570 4.740 -0.000 0.000 0.180 62 N C 0.726 176.232 175.510 -0.006 0.000 1.028 62 N CA 1.027 54.076 53.050 -0.001 0.000 0.893 62 N CB -0.025 38.461 38.487 -0.002 0.000 0.967 62 N HN 0.425 nan 8.380 nan 0.000 0.440 63 D N -0.519 119.872 120.400 -0.015 0.000 2.336 63 D HA 0.124 4.764 4.640 -0.000 0.000 0.228 63 D C 1.190 177.496 176.300 0.010 0.000 1.120 63 D CA -0.010 53.979 54.000 -0.018 0.000 0.839 63 D CB -0.277 40.490 40.800 -0.054 0.000 0.932 63 D HN 0.190 nan 8.370 nan 0.000 0.509 64 G N 0.098 108.911 108.800 0.022 0.000 2.189 64 G HA2 -0.486 3.474 3.960 -0.000 0.000 0.267 64 G HA3 -0.486 3.474 3.960 -0.000 0.000 0.267 64 G C 0.768 175.712 174.900 0.073 0.000 0.975 64 G CA 0.537 45.658 45.100 0.035 0.000 0.644 64 G HN 0.404 nan 8.290 nan 0.000 0.537 65 Y N 0.717 120.995 120.300 -0.036 0.000 2.114 65 Y HA -0.037 4.513 4.550 -0.000 0.000 0.282 65 Y C 2.640 178.591 175.900 0.085 0.000 1.165 65 Y CA 2.589 60.697 58.100 0.013 0.000 1.148 65 Y CB -0.289 38.103 38.460 -0.113 0.000 0.972 65 Y HN 0.342 nan 8.280 nan 0.000 0.504 66 L N -1.285 119.898 121.223 -0.066 0.000 2.168 66 L HA -0.106 4.234 4.340 -0.000 0.000 0.203 66 L C 2.546 179.307 176.870 -0.182 0.000 1.078 66 L CA 1.390 56.103 54.840 -0.211 0.000 0.780 66 L CB -0.872 41.114 42.059 -0.122 0.000 0.939 66 L HN 0.288 nan 8.230 nan 0.000 0.451 67 T N -2.863 111.635 114.554 -0.093 0.000 2.821 67 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 67 T C 1.957 176.602 174.700 -0.092 0.000 1.046 67 T CA 1.014 63.065 62.100 -0.082 0.000 1.139 67 T CB -0.918 67.924 68.868 -0.044 0.000 0.871 67 T HN 0.362 nan 8.240 nan 0.000 0.454 68 G N 0.888 109.655 108.800 -0.054 0.000 2.442 68 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.219 68 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.219 68 G C 1.552 176.380 174.900 -0.120 0.000 1.141 68 G CA 0.801 45.909 45.100 0.013 0.000 0.763 68 G HN 0.502 nan 8.290 nan 0.000 0.554 69 M N 0.012 119.394 119.600 -0.362 0.000 2.394 69 M HA 0.170 4.650 4.480 -0.000 0.000 0.264 69 M C 1.858 177.918 176.300 -0.399 0.000 1.073 69 M CA 1.194 56.050 55.300 -0.740 0.000 1.111 69 M CB 0.210 32.321 32.600 -0.815 0.000 1.401 69 M HN 0.408 nan 8.290 nan 0.000 0.448 70 G N 0.148 108.795 108.800 -0.254 0.000 2.159 70 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.227 70 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.227 70 G C 0.027 174.835 174.900 -0.154 0.000 0.986 70 G CA 0.066 45.056 45.100 -0.183 0.000 0.651 70 G HN 0.322 nan 8.290 nan 0.000 0.523 71 V N 1.532 121.348 119.914 -0.162 0.000 2.673 71 V HA 0.440 4.560 4.120 -0.000 0.000 0.303 71 V C 1.640 177.693 176.094 -0.068 0.000 1.046 71 V CA 1.638 63.883 62.300 -0.093 0.000 1.126 71 V CB 1.381 33.133 31.823 -0.118 0.000 0.934 71 V HN 0.913 nan 8.190 nan 0.000 0.487 72 T N 0.365 114.897 114.554 -0.036 0.000 3.144 72 T HA 0.669 5.019 4.350 -0.000 0.000 0.290 72 T C -0.080 174.610 174.700 -0.017 0.000 0.966 72 T CA 0.381 62.448 62.100 -0.055 0.000 0.907 72 T CB 0.418 69.219 68.868 -0.112 0.000 1.152 72 T HN 1.153 nan 8.240 nan 0.000 0.532 73 A N 1.579 124.441 122.820 0.070 0.000 2.577 73 A HA 0.736 5.056 4.320 -0.000 0.000 0.297 73 A C -1.201 176.523 177.584 0.233 0.000 1.060 73 A CA -1.168 50.971 52.037 0.170 0.000 0.697 73 A CB 1.011 20.181 19.000 0.285 0.000 1.281 73 A HN 0.814 nan 8.150 nan 0.000 0.402 74 I N -1.827 118.890 120.570 0.244 0.000 2.569 74 I HA 0.879 5.049 4.170 -0.000 0.000 0.296 74 I C -1.004 175.326 176.117 0.354 0.000 1.028 74 I CA -0.769 60.688 61.300 0.263 0.000 1.082 74 I CB 1.989 40.078 38.000 0.149 0.000 1.264 74 I HN 0.769 nan 8.210 nan 0.000 0.429 75 W N 8.921 130.310 121.300 0.149 0.000 2.362 75 W HA 0.725 5.385 4.660 -0.000 0.000 0.316 75 W C -1.236 175.329 176.519 0.078 0.000 1.024 75 W CA -1.847 55.589 57.345 0.151 0.000 1.270 75 W CB 0.771 30.371 29.460 0.233 0.000 1.273 75 W HN 0.658 nan 8.180 nan 0.000 0.424 76 I N 2.599 123.350 120.570 0.302 0.000 2.947 76 I HA 0.662 4.832 4.170 -0.000 0.000 0.314 76 I C 0.372 176.509 176.117 0.034 0.000 1.028 76 I CA -0.930 60.404 61.300 0.055 0.000 1.077 76 I CB 1.563 39.606 38.000 0.072 0.000 1.274 76 I HN 0.234 nan 8.210 nan 0.000 0.485 77 S N 1.858 117.443 115.700 -0.193 0.000 2.569 77 S HA -0.042 4.428 4.470 -0.000 0.000 0.274 77 S C 0.009 174.575 174.600 -0.057 0.000 1.353 77 S CA -0.378 57.644 58.200 -0.297 0.000 1.023 77 S CB 0.279 63.154 63.200 -0.542 0.000 0.876 77 S HN 0.735 nan 8.310 nan 0.000 0.540 78 Q N 2.743 122.474 119.800 -0.114 0.000 2.239 78 Q HA 0.013 4.353 4.340 -0.000 0.000 0.286 78 Q C -1.668 174.394 176.000 0.105 0.000 1.102 78 Q CA -1.093 54.700 55.803 -0.017 0.000 0.936 78 Q CB 0.544 29.242 28.738 -0.067 0.000 1.127 78 Q HN 0.323 nan 8.270 nan 0.000 0.380 79 P HA -0.031 nan 4.420 nan 0.000 0.245 79 P C 0.399 177.774 177.300 0.126 0.000 1.206 79 P CA 0.227 63.513 63.100 0.309 0.000 0.781 79 P CB -0.117 31.625 31.700 0.071 0.000 0.994 80 V N -1.580 118.285 119.914 -0.082 0.000 3.185 80 V HA 0.211 4.331 4.120 -0.000 0.000 0.305 80 V C 0.487 176.543 176.094 -0.062 0.000 1.090 80 V CA -0.970 61.338 62.300 0.015 0.000 1.107 80 V CB 0.096 31.889 31.823 -0.051 0.000 1.061 80 V HN -0.011 nan 8.190 nan 0.000 0.480 81 E N 2.538 122.718 120.200 -0.035 0.000 2.417 81 E HA 0.089 4.439 4.350 -0.000 0.000 0.261 81 E C -0.062 176.385 176.600 -0.254 0.000 1.000 81 E CA 0.105 56.426 56.400 -0.132 0.000 0.919 81 E CB 0.187 29.863 29.700 -0.040 0.000 0.955 81 E HN 0.874 nan 8.360 nan 0.000 0.455 82 N N 3.125 121.598 118.700 -0.378 0.000 2.502 82 N HA 0.309 5.049 4.740 -0.000 0.000 0.280 82 N C 0.057 175.261 175.510 -0.511 0.000 1.223 82 N CA -0.770 52.077 53.050 -0.339 0.000 0.966 82 N CB 0.957 39.290 38.487 -0.257 0.000 1.203 82 N HN 0.462 nan 8.380 nan 0.000 0.565 83 I N -1.213 119.213 120.570 -0.240 0.000 2.836 83 I HA 0.037 4.207 4.170 -0.000 0.000 0.285 83 I C -0.058 175.890 176.117 -0.281 0.000 1.174 83 I CA -0.044 61.130 61.300 -0.211 0.000 1.405 83 I CB 0.242 38.210 38.000 -0.053 0.000 1.385 83 I HN 0.596 nan 8.210 nan 0.000 0.594 84 Y N 1.952 122.256 120.300 0.006 0.000 2.462 84 Y HA 0.215 4.765 4.550 -0.000 0.000 0.261 84 Y C 1.412 177.323 175.900 0.018 0.000 1.146 84 Y CA -0.229 57.876 58.100 0.008 0.000 1.283 84 Y CB -0.131 38.307 38.460 -0.037 0.000 1.090 84 Y HN 0.554 nan 8.280 nan 0.000 0.526 85 S N 1.049 116.815 115.700 0.109 0.000 2.568 85 S HA 0.177 4.647 4.470 -0.000 0.000 0.282 85 S C -0.070 174.565 174.600 0.059 0.000 1.338 85 S CA -0.299 57.919 58.200 0.030 0.000 1.045 85 S CB 0.526 63.660 63.200 -0.109 0.000 0.873 85 S HN 0.107 nan 8.310 nan 0.000 0.516 86 I N 2.604 123.201 120.570 0.044 0.000 2.315 86 I HA 0.302 4.472 4.170 -0.000 0.000 0.291 86 I C -0.335 175.774 176.117 -0.013 0.000 1.006 86 I CA -0.067 61.279 61.300 0.075 0.000 1.265 86 I CB 0.626 38.674 38.000 0.080 0.000 1.387 86 I HN 0.474 nan 8.210 nan 0.000 0.475 87 I N 6.098 126.656 120.570 -0.019 0.000 2.331 87 I HA 0.217 4.387 4.170 -0.000 0.000 0.292 87 I C 0.039 176.046 176.117 -0.183 0.000 0.998 87 I CA -0.411 60.760 61.300 -0.214 0.000 1.267 87 I CB 1.108 38.859 38.000 -0.415 0.000 1.386 87 I HN 0.549 nan 8.210 nan 0.000 0.476 88 N N 5.128 123.713 118.700 -0.191 0.000 2.439 88 N HA 0.223 4.963 4.740 -0.000 0.000 0.249 88 N C -1.277 174.152 175.510 -0.135 0.000 1.003 88 N CA -0.401 52.600 53.050 -0.081 0.000 0.942 88 N CB 0.498 38.981 38.487 -0.008 0.000 1.115 88 N HN 0.353 nan 8.380 nan 0.000 0.505 89 Y N 3.159 123.529 120.300 0.118 0.000 2.821 89 Y HA 0.256 4.806 4.550 -0.000 0.000 0.331 89 Y C 0.211 176.143 175.900 0.054 0.000 1.251 89 Y CA -0.638 57.517 58.100 0.091 0.000 1.494 89 Y CB -0.097 38.422 38.460 0.099 0.000 1.493 89 Y HN 0.597 nan 8.280 nan 0.000 0.496 90 S N 1.485 117.282 115.700 0.163 0.000 3.727 90 S HA -0.114 4.356 4.470 -0.000 0.000 0.444 90 S C 1.274 175.925 174.600 0.085 0.000 0.867 90 S CA 0.886 59.148 58.200 0.102 0.000 1.324 90 S CB -1.356 61.901 63.200 0.096 0.000 0.890 90 S HN 1.362 nan 8.310 nan 0.000 0.599 91 G N -1.223 107.618 108.800 0.069 0.000 2.454 91 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.225 91 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.225 91 G C 0.266 175.206 174.900 0.067 0.000 1.138 91 G CA 0.233 45.367 45.100 0.056 0.000 0.667 91 G HN 2.047 nan 8.290 nan 0.000 0.512 92 V N -0.080 119.891 119.914 0.096 0.000 2.530 92 V HA 0.685 4.805 4.120 -0.000 0.000 0.282 92 V C 0.130 176.300 176.094 0.127 0.000 1.048 92 V CA -1.321 61.043 62.300 0.108 0.000 0.997 92 V CB 1.433 33.325 31.823 0.115 0.000 0.987 92 V HN 0.300 nan 8.190 nan 0.000 0.477 93 N N 4.271 123.034 118.700 0.105 0.000 2.444 93 N HA 0.354 5.094 4.740 -0.000 0.000 0.271 93 N C -0.608 175.000 175.510 0.164 0.000 1.069 93 N CA -0.016 53.099 53.050 0.110 0.000 0.965 93 N CB 0.579 39.116 38.487 0.083 0.000 1.092 93 N HN 0.798 nan 8.380 nan 0.000 0.476 94 N N 0.449 119.279 118.700 0.216 0.000 2.296 94 N HA 0.338 5.078 4.740 -0.000 0.000 0.294 94 N C -0.470 175.253 175.510 0.355 0.000 1.033 94 N CA -0.362 52.886 53.050 0.330 0.000 0.839 94 N CB 2.103 40.920 38.487 0.550 0.000 1.395 94 N HN 0.486 nan 8.380 nan 0.000 0.479 95 T N -2.379 112.350 114.554 0.292 0.000 2.950 95 T HA 0.562 4.912 4.350 -0.000 0.000 0.288 95 T C 0.738 175.394 174.700 -0.073 0.000 1.035 95 T CA -0.821 61.416 62.100 0.229 0.000 1.028 95 T CB 1.689 70.681 68.868 0.207 0.000 1.109 95 T HN 0.360 nan 8.240 nan 0.000 0.514 96 A N 0.849 123.573 122.820 -0.160 0.000 2.324 96 A HA 0.224 4.544 4.320 -0.000 0.000 0.240 96 A C 1.311 178.204 177.584 -1.151 0.000 1.347 96 A CA -0.105 51.474 52.037 -0.764 0.000 1.036 96 A CB -1.689 17.237 19.000 -0.124 0.000 0.917 96 A HN 0.981 nan 8.150 nan 0.000 0.519 97 Y N -0.123 119.443 120.300 -1.222 0.000 2.315 97 Y HA -0.323 4.227 4.550 -0.000 0.000 0.288 97 Y C 1.839 177.389 175.900 -0.582 0.000 1.154 97 Y CA 1.767 59.160 58.100 -1.178 0.000 1.229 97 Y CB -1.216 36.690 38.460 -0.924 0.000 0.980 97 Y HN 0.658 nan 8.280 nan 0.000 0.540 98 H N -1.240 116.932 119.070 -1.496 0.000 2.462 98 H HA 0.280 4.836 4.556 -0.000 0.000 0.292 98 H C 2.035 176.768 175.328 -0.992 0.000 1.049 98 H CA 0.415 55.744 56.048 -1.198 0.000 1.334 98 H CB -0.738 28.417 29.762 -1.012 0.000 1.404 98 H HN 0.407 nan 8.280 nan 0.000 0.544 99 G N -0.421 107.928 108.800 -0.753 0.000 2.141 99 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.242 99 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.242 99 G C 0.216 174.912 174.900 -0.340 0.000 0.982 99 G CA 0.387 45.211 45.100 -0.460 0.000 0.662 99 G HN 0.518 nan 8.290 nan 0.000 0.527 100 Y N -1.391 118.949 120.300 0.066 0.000 2.466 100 Y HA 0.382 4.932 4.550 -0.000 0.000 0.272 100 Y C 1.069 177.202 175.900 0.388 0.000 1.169 100 Y CA -0.746 57.441 58.100 0.146 0.000 1.285 100 Y CB 0.267 38.761 38.460 0.057 0.000 1.078 100 Y HN 0.393 nan 8.280 nan 0.000 0.523 101 W N 1.424 122.849 121.300 0.209 0.000 2.102 101 W HA 0.665 5.325 4.660 -0.000 0.000 0.357 101 W C 0.343 176.838 176.519 -0.041 0.000 0.717 101 W CA -2.108 55.315 57.345 0.129 0.000 2.518 101 W CB -0.787 28.732 29.460 0.099 0.000 2.010 101 W HN -0.133 nan 8.180 nan 0.000 0.672 102 A N 1.633 124.496 122.820 0.072 0.000 2.587 102 A HA 0.120 4.440 4.320 -0.000 0.000 0.233 102 A C 1.593 179.118 177.584 -0.098 0.000 1.049 102 A CA 0.984 52.868 52.037 -0.255 0.000 0.754 102 A CB 0.412 18.869 19.000 -0.905 0.000 0.977 102 A HN 0.628 nan 8.150 nan 0.000 0.509 103 R N 0.141 120.569 120.500 -0.119 0.000 2.428 103 R HA 0.173 4.513 4.340 -0.000 0.000 0.193 103 R C -0.922 175.503 176.300 0.209 0.000 0.852 103 R CA 0.502 56.657 56.100 0.093 0.000 1.055 103 R CB 0.675 31.011 30.300 0.060 0.000 1.343 103 R HN 0.605 nan 8.270 nan 0.000 0.655 104 D N -0.023 120.424 120.400 0.079 0.000 2.602 104 D HA 0.198 4.838 4.640 -0.000 0.000 0.245 104 D C -0.735 175.690 176.300 0.208 0.000 1.325 104 D CA -0.625 53.532 54.000 0.262 0.000 0.952 104 D CB 1.243 42.181 40.800 0.230 0.000 1.317 104 D HN 0.078 nan 8.370 nan 0.000 0.577 105 F N 1.964 122.170 119.950 0.427 0.000 2.811 105 F HA 0.189 4.716 4.527 -0.000 0.000 0.301 105 F C 1.930 178.031 175.800 0.502 0.000 1.151 105 F CA 0.417 58.656 58.000 0.398 0.000 1.412 105 F CB 0.312 39.505 39.000 0.322 0.000 1.113 105 F HN 0.145 nan 8.300 nan 0.000 0.579 106 K N -0.347 120.362 120.400 0.514 0.000 2.358 106 K HA 0.153 4.473 4.320 -0.000 0.000 0.200 106 K C 0.258 176.996 176.600 0.229 0.000 1.030 106 K CA 0.139 56.624 56.287 0.330 0.000 1.097 106 K CB 0.548 33.198 32.500 0.250 0.000 0.862 106 K HN -0.002 nan 8.250 nan 0.000 0.534 107 K N 0.732 121.321 120.400 0.315 0.000 2.400 107 K HA 0.244 4.564 4.320 -0.000 0.000 0.246 107 K C -0.125 176.684 176.600 0.349 0.000 0.995 107 K CA -0.637 55.795 56.287 0.242 0.000 0.840 107 K CB 1.913 34.508 32.500 0.159 0.000 1.293 107 K HN -0.031 nan 8.250 nan 0.000 0.445 108 T N -1.339 113.401 114.554 0.311 0.000 2.902 108 T HA 0.167 4.517 4.350 -0.000 0.000 0.280 108 T C 0.229 175.005 174.700 0.128 0.000 0.992 108 T CA -0.729 61.589 62.100 0.365 0.000 1.015 108 T CB 0.831 70.006 68.868 0.512 0.000 1.044 108 T HN 0.465 nan 8.240 nan 0.000 0.520 109 N N 2.217 120.919 118.700 0.003 0.000 2.408 109 N HA 0.265 5.005 4.740 -0.000 0.000 0.257 109 N C -1.819 173.525 175.510 -0.277 0.000 1.064 109 N CA -2.517 50.370 53.050 -0.272 0.000 0.952 109 N CB 1.303 39.392 38.487 -0.662 0.000 1.093 109 N HN 0.328 nan 8.380 nan 0.000 0.490 110 P HA -0.017 nan 4.420 nan 0.000 0.230 110 P C 0.702 177.879 177.300 -0.205 0.000 1.158 110 P CA 0.632 63.662 63.100 -0.117 0.000 0.769 110 P CB 0.181 31.863 31.700 -0.031 0.000 0.807 111 A N -1.108 121.517 122.820 -0.325 0.000 1.929 111 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 111 A C 1.917 179.398 177.584 -0.171 0.000 1.176 111 A CA 1.089 52.935 52.037 -0.317 0.000 0.628 111 A CB -1.474 17.219 19.000 -0.512 0.000 0.816 111 A HN 0.051 nan 8.150 nan 0.000 0.444 112 Y N -0.483 119.548 120.300 -0.449 0.000 2.220 112 Y HA 0.335 4.885 4.550 -0.000 0.000 0.291 112 Y C 1.652 176.937 175.900 -1.025 0.000 1.129 112 Y CA 0.318 57.862 58.100 -0.927 0.000 1.161 112 Y CB -0.931 36.623 38.460 -1.510 0.000 0.997 112 Y HN 0.452 nan 8.280 nan 0.000 0.522 113 G N -1.272 107.210 108.800 -0.530 0.000 2.356 113 G HA2 0.284 4.244 3.960 -0.000 0.000 0.288 113 G HA3 0.284 4.244 3.960 -0.000 0.000 0.288 113 G C -0.676 174.331 174.900 0.179 0.000 1.302 113 G CA -0.493 44.554 45.100 -0.088 0.000 0.887 113 G HN 0.249 nan 8.290 nan 0.000 0.521 114 T N -1.566 113.176 114.554 0.313 0.000 2.862 114 T HA 0.570 4.920 4.350 -0.000 0.000 0.276 114 T C 1.801 176.766 174.700 0.442 0.000 0.974 114 T CA -0.183 62.103 62.100 0.310 0.000 0.966 114 T CB 0.860 69.843 68.868 0.192 0.000 1.072 114 T HN 0.613 nan 8.240 nan 0.000 0.538 115 I N 0.586 121.331 120.570 0.293 0.000 2.335 115 I HA -0.141 4.029 4.170 -0.000 0.000 0.251 115 I C 2.936 179.209 176.117 0.259 0.000 1.129 115 I CA 1.732 63.182 61.300 0.249 0.000 1.402 115 I CB -1.761 36.298 38.000 0.098 0.000 1.069 115 I HN 0.841 nan 8.210 nan 0.000 0.424 116 A N 0.633 123.581 122.820 0.214 0.000 1.930 116 A HA -0.182 4.137 4.320 -0.000 0.000 0.217 116 A C 2.009 179.719 177.584 0.210 0.000 1.175 116 A CA 1.551 53.690 52.037 0.171 0.000 0.627 116 A CB -0.421 18.654 19.000 0.126 0.000 0.815 116 A HN 0.325 nan 8.150 nan 0.000 0.443 117 D N -1.052 119.536 120.400 0.312 0.000 2.117 117 D HA -0.120 4.520 4.640 -0.000 0.000 0.198 117 D C 1.628 178.143 176.300 0.360 0.000 0.982 117 D CA 1.096 55.322 54.000 0.377 0.000 0.828 117 D CB -0.390 40.743 40.800 0.554 0.000 0.967 117 D HN 0.440 nan 8.370 nan 0.000 0.464 118 F N 1.733 121.803 119.950 0.200 0.000 2.095 118 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 118 F C 2.501 178.224 175.800 -0.129 0.000 1.104 118 F CA 1.572 59.436 58.000 -0.227 0.000 1.232 118 F CB -0.150 38.686 39.000 -0.273 0.000 0.987 118 F HN -0.090 nan 8.300 nan 0.000 0.475 119 Q N 0.018 119.906 119.800 0.147 0.000 2.096 119 Q HA -0.248 4.092 4.340 -0.000 0.000 0.204 119 Q C 1.836 177.795 176.000 -0.069 0.000 0.982 119 Q CA 2.213 58.036 55.803 0.034 0.000 0.850 119 Q CB -0.468 28.322 28.738 0.085 0.000 0.901 119 Q HN 0.600 nan 8.270 nan 0.000 0.422 120 N N -0.012 118.672 118.700 -0.026 0.000 2.188 120 N HA -0.141 4.599 4.740 -0.000 0.000 0.184 120 N C 1.556 177.000 175.510 -0.110 0.000 1.018 120 N CA 0.438 53.467 53.050 -0.034 0.000 0.858 120 N CB -0.057 38.445 38.487 0.025 0.000 0.989 120 N HN 0.079 nan 8.380 nan 0.000 0.426 121 L N 1.511 122.622 121.223 -0.187 0.000 1.990 121 L HA -0.146 4.194 4.340 -0.000 0.000 0.213 121 L C 1.739 178.374 176.870 -0.392 0.000 1.072 121 L CA 1.599 56.259 54.840 -0.301 0.000 0.755 121 L CB -0.722 41.023 42.059 -0.524 0.000 0.889 121 L HN 0.172 nan 8.230 nan 0.000 0.432 122 I N 0.014 120.266 120.570 -0.530 0.000 2.264 122 I HA -0.249 3.921 4.170 -0.000 0.000 0.248 122 I C 2.666 178.477 176.117 -0.511 0.000 1.111 122 I CA 1.420 62.359 61.300 -0.602 0.000 1.382 122 I CB -1.975 35.730 38.000 -0.493 0.000 1.060 122 I HN 0.370 nan 8.210 nan 0.000 0.418 123 A N 0.880 123.551 122.820 -0.249 0.000 1.841 123 A HA -0.104 4.216 4.320 -0.000 0.000 0.214 123 A C 2.596 180.143 177.584 -0.062 0.000 1.195 123 A CA 2.103 54.080 52.037 -0.100 0.000 0.611 123 A CB -0.966 18.004 19.000 -0.050 0.000 0.835 123 A HN 0.389 nan 8.150 nan 0.000 0.443 124 A N -0.187 122.587 122.820 -0.077 0.000 1.902 124 A HA 0.137 4.457 4.320 -0.000 0.000 0.217 124 A C 2.521 180.083 177.584 -0.036 0.000 1.181 124 A CA 2.325 54.337 52.037 -0.041 0.000 0.623 124 A CB -1.137 17.842 19.000 -0.035 0.000 0.818 124 A HN 1.081 nan 8.150 nan 0.000 0.443 125 A N -0.562 122.205 122.820 -0.089 0.000 1.841 125 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 125 A C 1.950 179.569 177.584 0.059 0.000 1.199 125 A CA 1.812 53.818 52.037 -0.052 0.000 0.621 125 A CB -1.320 17.600 19.000 -0.134 0.000 0.835 125 A HN 0.747 nan 8.150 nan 0.000 0.445 126 H N -0.808 118.229 119.070 -0.054 0.000 2.321 126 H HA -0.167 4.389 4.556 -0.000 0.000 0.295 126 H C 2.520 177.822 175.328 -0.045 0.000 1.102 126 H CA 0.909 56.927 56.048 -0.049 0.000 1.266 126 H CB -0.078 29.657 29.762 -0.044 0.000 1.363 126 H HN 0.572 nan 8.280 nan 0.000 0.492 127 A N 1.329 124.204 122.820 0.091 0.000 1.948 127 A HA -0.167 4.153 4.320 -0.000 0.000 0.220 127 A C 1.771 179.363 177.584 0.013 0.000 1.177 127 A CA 1.493 53.550 52.037 0.033 0.000 0.636 127 A CB -0.062 18.947 19.000 0.016 0.000 0.815 127 A HN 0.280 nan 8.150 nan 0.000 0.449 128 K N -0.473 119.935 120.400 0.013 0.000 2.500 128 K HA 0.109 4.429 4.320 -0.000 0.000 0.206 128 K C -0.291 176.300 176.600 -0.015 0.000 1.034 128 K CA -0.017 56.267 56.287 -0.005 0.000 1.179 128 K CB -0.001 32.493 32.500 -0.009 0.000 0.884 128 K HN 0.472 nan 8.250 nan 0.000 0.493 129 N N 0.626 119.319 118.700 -0.012 0.000 2.850 129 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 129 N C -0.516 174.970 175.510 -0.039 0.000 1.060 129 N CA 0.730 53.754 53.050 -0.043 0.000 0.825 129 N CB -1.510 36.936 38.487 -0.068 0.000 1.132 129 N HN 0.326 nan 8.380 nan 0.000 0.564 130 I N 1.129 121.707 120.570 0.013 0.000 2.359 130 I HA 0.173 4.342 4.170 -0.000 0.000 0.294 130 I C 0.753 176.935 176.117 0.108 0.000 0.987 130 I CA -0.430 60.886 61.300 0.027 0.000 1.225 130 I CB 1.264 39.277 38.000 0.021 0.000 1.366 130 I HN -0.220 nan 8.210 nan 0.000 0.466 131 K N 4.743 125.186 120.400 0.072 0.000 2.185 131 K HA 0.553 4.873 4.320 -0.000 0.000 0.271 131 K C -0.911 175.826 176.600 0.229 0.000 1.013 131 K CA -0.615 55.763 56.287 0.151 0.000 0.943 131 K CB 1.802 34.288 32.500 -0.023 0.000 0.998 131 K HN 0.296 nan 8.250 nan 0.000 0.468 132 V N 4.421 124.486 119.914 0.250 0.000 2.459 132 V HA 0.413 4.533 4.120 -0.000 0.000 0.295 132 V C -0.175 176.075 176.094 0.261 0.000 1.029 132 V CA -0.806 61.600 62.300 0.177 0.000 0.874 132 V CB 1.267 33.071 31.823 -0.032 0.000 0.985 132 V HN 0.584 nan 8.190 nan 0.000 0.438 133 I N 5.710 126.445 120.570 0.275 0.000 2.530 133 I HA 0.602 4.772 4.170 -0.000 0.000 0.297 133 I C -0.234 176.032 176.117 0.249 0.000 1.011 133 I CA -0.561 60.892 61.300 0.255 0.000 1.107 133 I CB 1.887 40.035 38.000 0.247 0.000 1.285 133 I HN 0.613 nan 8.210 nan 0.000 0.436 134 I N 0.062 120.732 120.570 0.166 0.000 2.846 134 I HA 0.627 4.797 4.170 -0.000 0.000 0.307 134 I C -1.047 175.144 176.117 0.122 0.000 1.053 134 I CA -0.801 60.607 61.300 0.180 0.000 1.050 134 I CB 2.023 40.088 38.000 0.108 0.000 1.239 134 I HN 0.299 nan 8.210 nan 0.000 0.439 135 D N 2.716 123.237 120.400 0.202 0.000 2.302 135 D HA 0.438 5.078 4.640 -0.000 0.000 0.248 135 D C -1.484 174.956 176.300 0.233 0.000 1.094 135 D CA 0.429 54.552 54.000 0.205 0.000 0.897 135 D CB 1.476 42.423 40.800 0.245 0.000 1.200 135 D HN 0.413 nan 8.370 nan 0.000 0.429 136 F N 1.236 121.208 119.950 0.036 0.000 2.539 136 F HA 0.521 5.048 4.527 -0.000 0.000 0.318 136 F C -0.768 175.100 175.800 0.113 0.000 1.135 136 F CA -1.057 56.983 58.000 0.066 0.000 0.915 136 F CB 1.703 40.735 39.000 0.053 0.000 1.176 136 F HN 0.285 nan 8.300 nan 0.000 0.440 137 A N 7.385 130.088 122.820 -0.194 0.000 3.204 137 A HA 0.465 4.785 4.320 -0.000 0.000 0.327 137 A C -2.374 175.064 177.584 -0.244 0.000 0.998 137 A CA -1.054 50.920 52.037 -0.105 0.000 0.891 137 A CB -0.372 18.687 19.000 0.099 0.000 1.061 137 A HN 0.449 nan 8.150 nan 0.000 0.478 138 P HA -0.029 nan 4.420 nan 0.000 0.253 138 P C 0.616 177.839 177.300 -0.129 0.000 1.281 138 P CA 0.532 63.396 63.100 -0.393 0.000 0.792 138 P CB -0.089 31.395 31.700 -0.360 0.000 1.193 139 N N 0.619 119.254 118.700 -0.108 0.000 2.376 139 N HA -0.090 4.650 4.740 -0.000 0.000 0.177 139 N C 0.790 176.358 175.510 0.097 0.000 1.024 139 N CA 0.391 53.487 53.050 0.076 0.000 0.893 139 N CB 0.060 38.668 38.487 0.202 0.000 0.980 139 N HN 0.258 nan 8.380 nan 0.000 0.439 140 H N -4.328 114.823 119.070 0.135 0.000 2.918 140 H HA 0.270 4.826 4.556 -0.000 0.000 0.303 140 H C -0.217 175.273 175.328 0.270 0.000 1.380 140 H CA -0.107 56.037 56.048 0.160 0.000 1.134 140 H CB 0.781 30.613 29.762 0.117 0.000 1.842 140 H HN 0.039 nan 8.280 nan 0.000 0.533 141 T N -0.798 114.002 114.554 0.410 0.000 3.610 141 T HA 0.345 4.695 4.350 -0.000 0.000 0.209 141 T C 0.653 175.560 174.700 0.345 0.000 0.889 141 T CA 0.828 63.135 62.100 0.345 0.000 1.469 141 T CB -0.530 68.535 68.868 0.328 0.000 1.557 141 T HN 0.852 nan 8.240 nan 0.000 0.431 142 S N 0.738 116.511 115.700 0.120 0.000 2.688 142 S HA 0.650 5.120 4.470 -0.000 0.000 0.275 142 S C -3.363 171.067 174.600 -0.285 0.000 1.175 142 S CA -1.594 56.528 58.200 -0.131 0.000 0.818 142 S CB 1.038 64.116 63.200 -0.203 0.000 1.157 142 S HN 0.286 nan 8.310 nan 0.000 0.482 143 P HA 0.455 nan 4.420 nan 0.000 0.266 143 P C -0.884 176.342 177.300 -0.123 0.000 1.215 143 P CA 0.323 63.267 63.100 -0.261 0.000 0.763 143 P CB 0.269 31.836 31.700 -0.222 0.000 0.806 144 A N 2.780 125.563 122.820 -0.063 0.000 2.479 144 A HA 0.754 5.074 4.320 -0.000 0.000 0.296 144 A C -0.696 176.948 177.584 0.100 0.000 1.121 144 A CA -0.605 51.432 52.037 0.000 0.000 0.743 144 A CB 1.575 20.401 19.000 -0.289 0.000 1.323 144 A HN 0.324 nan 8.150 nan 0.000 0.415 145 S N -0.402 115.421 115.700 0.206 0.000 2.779 145 S HA 0.410 4.879 4.470 -0.000 0.000 0.293 145 S C 0.929 175.643 174.600 0.189 0.000 1.150 145 S CA 0.064 58.329 58.200 0.107 0.000 1.057 145 S CB 0.888 64.066 63.200 -0.036 0.000 1.021 145 S HN 1.126 nan 8.310 nan 0.000 0.485 146 S N 3.100 118.955 115.700 0.258 0.000 2.419 146 S HA -0.169 4.301 4.470 -0.000 0.000 0.233 146 S C 0.814 175.450 174.600 0.060 0.000 1.016 146 S CA 1.608 59.915 58.200 0.178 0.000 0.974 146 S CB -0.539 62.721 63.200 0.099 0.000 0.786 146 S HN 0.887 nan 8.310 nan 0.000 0.492 147 D N -0.464 119.962 120.400 0.044 0.000 2.402 147 D HA 0.183 4.823 4.640 -0.000 0.000 0.216 147 D C 0.620 176.930 176.300 0.016 0.000 1.128 147 D CA -0.217 53.791 54.000 0.013 0.000 0.833 147 D CB -0.019 40.778 40.800 -0.005 0.000 0.971 147 D HN 0.336 nan 8.370 nan 0.000 0.503 148 Q N 0.403 120.227 119.800 0.039 0.000 2.805 148 Q HA 0.176 4.516 4.340 -0.000 0.000 0.360 148 Q C -1.895 174.170 176.000 0.107 0.000 0.832 148 Q CA -1.786 54.049 55.803 0.053 0.000 1.020 148 Q CB 1.125 29.876 28.738 0.022 0.000 1.444 148 Q HN 0.004 nan 8.270 nan 0.000 0.391 149 P HA -0.232 nan 4.420 nan 0.000 0.219 149 P C 0.887 178.230 177.300 0.072 0.000 1.145 149 P CA 1.506 64.650 63.100 0.073 0.000 0.813 149 P CB 0.081 31.804 31.700 0.038 0.000 0.771 150 S N -2.479 113.268 115.700 0.079 0.000 2.603 150 S HA 0.014 4.484 4.470 -0.000 0.000 0.220 150 S C 0.396 175.049 174.600 0.090 0.000 0.967 150 S CA -0.553 57.685 58.200 0.062 0.000 0.920 150 S CB -1.115 62.115 63.200 0.050 0.000 0.773 150 S HN 0.037 nan 8.310 nan 0.000 0.529 151 F N 3.436 123.363 119.950 -0.038 0.000 2.420 151 F HA 0.606 5.133 4.527 -0.000 0.000 0.352 151 F C 0.805 176.555 175.800 -0.083 0.000 1.108 151 F CA -0.385 57.576 58.000 -0.065 0.000 1.162 151 F CB 0.189 39.148 39.000 -0.068 0.000 1.118 151 F HN 0.434 nan 8.300 nan 0.000 0.510 152 A N 4.851 127.127 122.820 -0.906 0.000 5.695 152 A HA -0.326 3.994 4.320 -0.000 0.000 0.297 152 A C 0.893 178.275 177.584 -0.336 0.000 1.947 152 A CA 1.321 52.892 52.037 -0.777 0.000 0.717 152 A CB -1.456 16.854 19.000 -1.150 0.000 1.252 152 A HN 0.815 nan 8.150 nan 0.000 0.378 153 E N 1.233 121.279 120.200 -0.257 0.000 2.496 153 E HA 0.223 4.573 4.350 -0.000 0.000 0.202 153 E C 0.511 177.076 176.600 -0.059 0.000 1.021 153 E CA 0.336 56.683 56.400 -0.087 0.000 1.015 153 E CB -0.164 29.536 29.700 0.000 0.000 1.102 153 E HN 0.654 nan 8.360 nan 0.000 0.452 154 N N 0.748 119.396 118.700 -0.086 0.000 2.681 154 N HA -0.249 4.491 4.740 -0.000 0.000 0.250 154 N C 0.689 176.149 175.510 -0.082 0.000 1.133 154 N CA 0.461 53.496 53.050 -0.026 0.000 0.732 154 N CB -0.732 37.764 38.487 0.016 0.000 1.107 154 N HN 0.570 nan 8.380 nan 0.000 0.559 155 G N 0.161 108.880 108.800 -0.136 0.000 2.225 155 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 155 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 155 G C 0.200 175.081 174.900 -0.032 0.000 1.024 155 G CA 0.742 45.742 45.100 -0.166 0.000 0.784 155 G HN 0.645 nan 8.290 nan 0.000 0.507 156 R N -1.149 119.371 120.500 0.033 0.000 2.697 156 R HA 0.343 4.683 4.340 -0.000 0.000 0.265 156 R C 0.186 176.575 176.300 0.148 0.000 1.009 156 R CA 0.198 56.340 56.100 0.069 0.000 1.099 156 R CB 0.394 30.710 30.300 0.027 0.000 0.965 156 R HN 0.407 nan 8.270 nan 0.000 0.428 157 L N 3.361 124.608 121.223 0.040 0.000 2.409 157 L HA 0.402 4.742 4.340 -0.000 0.000 0.272 157 L C -1.696 175.078 176.870 -0.161 0.000 0.980 157 L CA -0.473 54.417 54.840 0.084 0.000 0.826 157 L CB 1.262 43.394 42.059 0.120 0.000 1.268 157 L HN 0.408 nan 8.230 nan 0.000 0.407 158 Y N 1.943 122.277 120.300 0.056 0.000 2.509 158 Y HA 0.546 5.096 4.550 -0.000 0.000 0.341 158 Y C -0.425 175.526 175.900 0.085 0.000 1.038 158 Y CA -0.973 57.157 58.100 0.050 0.000 1.089 158 Y CB 1.529 40.046 38.460 0.095 0.000 1.241 158 Y HN 0.551 nan 8.280 nan 0.000 0.468 159 D N 2.267 122.816 120.400 0.247 0.000 2.462 159 D HA 0.130 4.770 4.640 -0.000 0.000 0.249 159 D C -0.312 176.180 176.300 0.320 0.000 1.117 159 D CA -0.374 53.835 54.000 0.348 0.000 0.900 159 D CB -0.159 40.761 40.800 0.201 0.000 1.039 159 D HN 0.600 nan 8.370 nan 0.000 0.516 160 N N 3.473 122.374 118.700 0.334 0.000 2.714 160 N HA -0.227 4.513 4.740 -0.000 0.000 0.253 160 N C 0.967 176.583 175.510 0.176 0.000 1.024 160 N CA 1.922 55.105 53.050 0.222 0.000 0.726 160 N CB -1.179 37.414 38.487 0.177 0.000 0.908 160 N HN 0.844 nan 8.380 nan 0.000 0.542 161 G N -2.209 106.705 108.800 0.190 0.000 2.241 161 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 161 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 161 G C 0.257 175.325 174.900 0.280 0.000 0.998 161 G CA 0.522 45.711 45.100 0.148 0.000 0.621 161 G HN 0.748 nan 8.290 nan 0.000 0.519 162 T N 2.395 117.113 114.554 0.273 0.000 2.743 162 T HA 0.529 4.879 4.350 -0.000 0.000 0.293 162 T C 0.458 175.262 174.700 0.174 0.000 0.945 162 T CA -0.433 61.794 62.100 0.213 0.000 1.030 162 T CB 1.643 70.583 68.868 0.121 0.000 0.912 162 T HN 0.338 nan 8.240 nan 0.000 0.483 163 L N 5.731 126.997 121.223 0.071 0.000 2.565 163 L HA 0.137 4.477 4.340 -0.000 0.000 0.275 163 L C 0.841 177.587 176.870 -0.207 0.000 1.137 163 L CA 0.104 54.766 54.840 -0.297 0.000 0.915 163 L CB 0.092 42.004 42.059 -0.246 0.000 1.232 163 L HN 0.789 nan 8.230 nan 0.000 0.473 164 L N 5.213 126.283 121.223 -0.255 0.000 2.084 164 L HA 0.224 4.564 4.340 -0.000 0.000 0.202 164 L C 1.078 177.859 176.870 -0.150 0.000 1.074 164 L CA 0.863 55.590 54.840 -0.189 0.000 0.757 164 L CB -0.282 41.623 42.059 -0.257 0.000 0.918 164 L HN 0.767 nan 8.230 nan 0.000 0.444 165 G N -1.894 106.820 108.800 -0.144 0.000 2.356 165 G HA2 0.479 4.439 3.960 -0.000 0.000 0.294 165 G HA3 0.479 4.439 3.960 -0.000 0.000 0.294 165 G C -1.560 173.407 174.900 0.111 0.000 1.423 165 G CA -0.116 44.975 45.100 -0.015 0.000 0.806 165 G HN 0.178 nan 8.290 nan 0.000 0.527 166 G N -1.936 106.956 108.800 0.154 0.000 2.685 166 G HA2 0.493 4.453 3.960 -0.000 0.000 0.298 166 G HA3 0.493 4.453 3.960 -0.000 0.000 0.298 166 G C 0.156 175.102 174.900 0.075 0.000 1.277 166 G CA -0.360 44.805 45.100 0.108 0.000 0.986 166 G HN 0.626 nan 8.290 nan 0.000 0.487 167 Y N 0.286 120.403 120.300 -0.305 0.000 2.242 167 Y HA 0.065 4.615 4.550 -0.000 0.000 0.291 167 Y C 1.817 177.701 175.900 -0.026 0.000 1.137 167 Y CA 1.427 59.310 58.100 -0.362 0.000 1.181 167 Y CB 0.070 38.249 38.460 -0.469 0.000 0.989 167 Y HN 0.314 nan 8.280 nan 0.000 0.527 168 T N 2.530 117.057 114.554 -0.045 0.000 2.817 168 T HA 0.100 4.450 4.350 -0.000 0.000 0.293 168 T C -0.254 174.397 174.700 -0.081 0.000 0.964 168 T CA -0.378 61.676 62.100 -0.077 0.000 1.085 168 T CB 0.242 69.101 68.868 -0.014 0.000 0.921 168 T HN 0.323 nan 8.240 nan 0.000 0.502 169 N N 2.269 120.892 118.700 -0.128 0.000 2.746 169 N HA -0.148 4.592 4.740 -0.000 0.000 0.250 169 N C -0.842 174.613 175.510 -0.093 0.000 1.055 169 N CA 0.341 53.325 53.050 -0.110 0.000 0.699 169 N CB -0.599 37.850 38.487 -0.062 0.000 0.919 169 N HN 0.746 nan 8.380 nan 0.000 0.548 170 D N 0.393 120.708 120.400 -0.142 0.000 2.619 170 D HA 0.176 4.816 4.640 -0.000 0.000 0.224 170 D C 1.462 177.720 176.300 -0.070 0.000 1.133 170 D CA 0.004 53.994 54.000 -0.017 0.000 1.017 170 D CB 0.252 41.198 40.800 0.244 0.000 1.077 170 D HN 0.315 nan 8.370 nan 0.000 0.503 171 T N -0.029 114.488 114.554 -0.061 0.000 2.867 171 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 171 T C 1.709 176.383 174.700 -0.043 0.000 1.057 171 T CA 0.840 62.901 62.100 -0.065 0.000 1.136 171 T CB -0.176 68.659 68.868 -0.054 0.000 0.874 171 T HN 0.306 nan 8.240 nan 0.000 0.466 172 Q N 0.864 120.647 119.800 -0.030 0.000 2.369 172 Q HA 0.088 4.428 4.340 -0.000 0.000 0.206 172 Q C 0.276 176.254 176.000 -0.037 0.000 0.963 172 Q CA 0.287 56.068 55.803 -0.037 0.000 0.894 172 Q CB -0.183 28.524 28.738 -0.053 0.000 0.965 172 Q HN 0.611 nan 8.270 nan 0.000 0.475 173 N N -1.244 117.454 118.700 -0.003 0.000 2.780 173 N HA -0.181 4.559 4.740 -0.000 0.000 0.248 173 N C 0.146 175.615 175.510 -0.069 0.000 1.102 173 N CA 0.014 53.082 53.050 0.030 0.000 0.697 173 N CB -0.952 37.543 38.487 0.014 0.000 1.028 173 N HN 0.207 nan 8.380 nan 0.000 0.554 174 L N -1.289 119.837 121.223 -0.162 0.000 2.131 174 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 174 L C 0.692 177.101 176.870 -0.768 0.000 1.092 174 L CA 1.228 55.756 54.840 -0.519 0.000 0.759 174 L CB -0.178 41.440 42.059 -0.735 0.000 0.903 174 L HN 0.165 nan 8.230 nan 0.000 0.435 175 F N -2.400 117.486 119.950 -0.106 0.000 2.572 175 F HA 0.369 4.896 4.527 -0.000 0.000 0.342 175 F C 0.411 176.020 175.800 -0.318 0.000 1.064 175 F CA -0.913 56.961 58.000 -0.210 0.000 1.008 175 F CB 0.599 39.588 39.000 -0.019 0.000 1.303 175 F HN -0.216 nan 8.300 nan 0.000 0.492 176 H N -0.514 118.553 119.070 -0.006 0.000 2.467 176 H HA 0.357 4.913 4.556 -0.000 0.000 0.331 176 H C -0.668 174.490 175.328 -0.284 0.000 1.120 176 H CA -0.524 55.477 56.048 -0.077 0.000 1.270 176 H CB 0.875 30.643 29.762 0.010 0.000 1.466 176 H HN 0.449 nan 8.280 nan 0.000 0.504 177 H N 2.321 121.539 119.070 0.246 0.000 2.624 177 H HA 0.133 4.689 4.556 -0.000 0.000 0.233 177 H C -0.063 175.300 175.328 0.059 0.000 1.376 177 H CA -0.188 55.935 56.048 0.125 0.000 1.137 177 H CB 0.292 30.043 29.762 -0.018 0.000 1.867 177 H HN 0.668 nan 8.280 nan 0.000 0.547 178 N N 0.656 119.414 118.700 0.097 0.000 2.205 178 N HA 0.147 4.887 4.740 -0.000 0.000 0.201 178 N C 1.180 176.677 175.510 -0.023 0.000 1.128 178 N CA 0.757 53.808 53.050 0.001 0.000 0.867 178 N CB 2.187 40.628 38.487 -0.076 0.000 0.996 178 N HN 0.644 nan 8.380 nan 0.000 0.503 179 G N -0.347 108.455 108.800 0.004 0.000 2.500 179 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.209 179 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.209 179 G C -0.401 174.442 174.900 -0.095 0.000 1.283 179 G CA -0.546 44.530 45.100 -0.039 0.000 0.960 179 G HN 0.351 nan 8.290 nan 0.000 0.528 180 G N -0.853 107.864 108.800 -0.139 0.000 2.416 180 G HA2 0.712 4.672 3.960 -0.000 0.000 0.329 180 G HA3 0.712 4.672 3.960 -0.000 0.000 0.329 180 G C 0.076 174.795 174.900 -0.301 0.000 1.173 180 G CA 0.984 45.950 45.100 -0.223 0.000 0.929 180 G HN 1.393 nan 8.290 nan 0.000 0.475 181 T N -0.553 113.718 114.554 -0.471 0.000 2.910 181 T HA 0.290 4.640 4.350 -0.000 0.000 0.293 181 T C 0.612 174.923 174.700 -0.648 0.000 1.015 181 T CA -0.182 61.579 62.100 -0.565 0.000 1.094 181 T CB 0.958 69.383 68.868 -0.738 0.000 0.968 181 T HN 0.542 nan 8.240 nan 0.000 0.521 182 D N 2.523 122.661 120.400 -0.436 0.000 2.463 182 D HA 0.092 4.732 4.640 -0.000 0.000 0.224 182 D C 0.570 176.794 176.300 -0.128 0.000 1.174 182 D CA -0.523 53.315 54.000 -0.271 0.000 0.829 182 D CB -0.791 39.941 40.800 -0.114 0.000 0.993 182 D HN 0.594 nan 8.370 nan 0.000 0.497 183 F N 0.424 120.278 119.950 -0.160 0.000 3.030 183 F HA -0.356 4.171 4.527 -0.000 0.000 0.302 183 F C 2.117 177.870 175.800 -0.079 0.000 0.749 183 F CA 0.810 58.737 58.000 -0.121 0.000 1.040 183 F CB -2.481 36.445 39.000 -0.123 0.000 1.383 183 F HN 0.211 nan 8.300 nan 0.000 0.368 184 S N -1.034 114.681 115.700 0.025 0.000 2.387 184 S HA -0.090 4.380 4.470 -0.000 0.000 0.230 184 S C 1.006 175.612 174.600 0.011 0.000 1.035 184 S CA 1.523 59.732 58.200 0.015 0.000 1.014 184 S CB -0.429 62.756 63.200 -0.025 0.000 0.836 184 S HN 0.691 nan 8.310 nan 0.000 0.466 185 T N -3.843 110.700 114.554 -0.019 0.000 2.838 185 T HA 0.537 4.887 4.350 -0.000 0.000 0.292 185 T C 0.638 175.316 174.700 -0.036 0.000 1.113 185 T CA -0.209 61.878 62.100 -0.022 0.000 1.008 185 T CB 1.183 70.013 68.868 -0.062 0.000 1.259 185 T HN -0.072 nan 8.240 nan 0.000 0.520 186 T N 0.148 114.688 114.554 -0.024 0.000 2.812 186 T HA -0.038 4.312 4.350 -0.000 0.000 0.264 186 T C 1.684 176.275 174.700 -0.182 0.000 1.042 186 T CA 1.598 63.672 62.100 -0.043 0.000 1.140 186 T CB -0.376 68.560 68.868 0.114 0.000 0.870 186 T HN 0.788 nan 8.240 nan 0.000 0.445 187 E N 1.278 121.271 120.200 -0.346 0.000 2.085 187 E HA -0.226 4.124 4.350 -0.000 0.000 0.194 187 E C 2.300 178.776 176.600 -0.206 0.000 0.994 187 E CA 0.987 57.045 56.400 -0.570 0.000 0.801 187 E CB -0.147 29.057 29.700 -0.827 0.000 0.743 187 E HN 0.317 nan 8.360 nan 0.000 0.453 188 N N 0.271 118.865 118.700 -0.177 0.000 2.069 188 N HA -0.141 4.599 4.740 -0.000 0.000 0.191 188 N C 1.889 177.297 175.510 -0.170 0.000 1.031 188 N CA 1.730 54.692 53.050 -0.147 0.000 0.852 188 N CB -0.471 37.931 38.487 -0.143 0.000 1.018 188 N HN 0.243 nan 8.380 nan 0.000 0.423 189 G N 0.097 108.810 108.800 -0.145 0.000 2.679 189 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.212 189 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.212 189 G C 1.691 176.588 174.900 -0.006 0.000 1.137 189 G CA 0.057 45.110 45.100 -0.079 0.000 0.787 189 G HN 0.348 nan 8.290 nan 0.000 0.534 190 I N -1.390 119.080 120.570 -0.166 0.000 2.628 190 I HA 0.081 4.251 4.170 -0.000 0.000 0.255 190 I C 1.421 177.253 176.117 -0.475 0.000 1.119 190 I CA 0.546 61.635 61.300 -0.351 0.000 1.448 190 I CB 0.201 37.859 38.000 -0.570 0.000 1.133 190 I HN 0.111 nan 8.210 nan 0.000 0.438 191 Y N 1.097 121.291 120.300 -0.176 0.000 2.485 191 Y HA 0.289 4.838 4.550 -0.000 0.000 0.260 191 Y C 0.642 176.312 175.900 -0.382 0.000 1.173 191 Y CA -0.239 57.627 58.100 -0.392 0.000 1.252 191 Y CB 0.015 38.248 38.460 -0.380 0.000 1.123 191 Y HN -0.083 nan 8.280 nan 0.000 0.524 192 K N 0.305 120.616 120.400 -0.148 0.000 2.306 192 K HA 0.331 4.651 4.320 -0.000 0.000 0.236 192 K C -0.692 175.813 176.600 -0.158 0.000 1.013 192 K CA -1.209 54.987 56.287 -0.152 0.000 0.857 192 K CB 0.938 33.318 32.500 -0.199 0.000 1.214 192 K HN -0.090 nan 8.250 nan 0.000 0.449 193 N N 1.089 119.690 118.700 -0.164 0.000 2.503 193 N HA 0.154 4.894 4.740 -0.000 0.000 0.267 193 N C -0.421 174.872 175.510 -0.360 0.000 1.214 193 N CA -0.172 52.757 53.050 -0.202 0.000 0.959 193 N CB 0.475 38.844 38.487 -0.195 0.000 1.142 193 N HN 0.347 nan 8.380 nan 0.000 0.455 194 L N 2.865 123.860 121.223 -0.381 0.000 2.295 194 L HA 0.127 4.467 4.340 -0.000 0.000 0.288 194 L C 0.444 177.110 176.870 -0.341 0.000 1.079 194 L CA -0.298 54.173 54.840 -0.615 0.000 0.830 194 L CB -0.184 41.579 42.059 -0.494 0.000 1.200 194 L HN 0.608 nan 8.230 nan 0.000 0.438 195 W N 1.864 123.035 121.300 -0.216 0.000 2.466 195 W HA -0.361 4.298 4.660 -0.000 0.000 0.298 195 W C 1.243 177.659 176.519 -0.172 0.000 1.630 195 W CA 1.357 58.604 57.345 -0.163 0.000 1.649 195 W CB -1.049 28.333 29.460 -0.129 0.000 0.912 195 W HN 0.758 nan 8.180 nan 0.000 0.481 196 D N 1.169 121.644 120.400 0.125 0.000 2.395 196 D HA 0.251 4.891 4.640 -0.000 0.000 0.213 196 D C 0.552 176.787 176.300 -0.109 0.000 1.110 196 D CA 0.154 54.145 54.000 -0.015 0.000 0.835 196 D CB -0.615 40.213 40.800 0.047 0.000 0.965 196 D HN 0.135 nan 8.370 nan 0.000 0.505 197 L N 1.386 122.548 121.223 -0.103 0.000 2.455 197 L HA 0.271 4.611 4.340 -0.000 0.000 0.272 197 L C 0.849 177.586 176.870 -0.222 0.000 1.174 197 L CA -0.593 54.143 54.840 -0.173 0.000 0.869 197 L CB 0.611 42.508 42.059 -0.270 0.000 1.130 197 L HN -0.005 nan 8.230 nan 0.000 0.474 198 A N 2.829 125.492 122.820 -0.262 0.000 2.473 198 A HA 0.035 4.355 4.320 -0.000 0.000 0.282 198 A C -0.017 177.597 177.584 0.051 0.000 1.163 198 A CA -0.305 51.504 52.037 -0.379 0.000 0.827 198 A CB -0.438 18.197 19.000 -0.608 0.000 1.098 198 A HN 0.736 nan 8.150 nan 0.000 0.515 199 D N 2.679 123.101 120.400 0.037 0.000 2.346 199 D HA 0.309 4.949 4.640 -0.000 0.000 0.260 199 D C 0.130 176.469 176.300 0.064 0.000 1.252 199 D CA 0.309 54.379 54.000 0.117 0.000 0.895 199 D CB 0.207 41.090 40.800 0.137 0.000 1.097 199 D HN 0.489 nan 8.370 nan 0.000 0.489 200 L N 3.475 124.645 121.223 -0.087 0.000 2.456 200 L HA 0.113 4.453 4.340 -0.000 0.000 0.272 200 L C 0.724 177.080 176.870 -0.856 0.000 1.189 200 L CA -0.216 54.342 54.840 -0.470 0.000 0.846 200 L CB 0.323 42.041 42.059 -0.569 0.000 1.111 200 L HN 0.407 nan 8.230 nan 0.000 0.475 201 N N 0.848 119.026 118.700 -0.871 0.000 2.527 201 N HA 0.132 4.872 4.740 -0.000 0.000 0.236 201 N C 0.447 175.568 175.510 -0.648 0.000 0.999 201 N CA -0.321 52.245 53.050 -0.807 0.000 0.935 201 N CB 0.450 38.586 38.487 -0.585 0.000 1.132 201 N HN 0.424 nan 8.380 nan 0.000 0.511 202 H N 1.214 120.032 119.070 -0.421 0.000 2.559 202 H HA 0.020 4.576 4.556 -0.000 0.000 0.273 202 H C 1.098 176.309 175.328 -0.196 0.000 1.000 202 H CA 0.672 56.386 56.048 -0.557 0.000 1.195 202 H CB 0.210 29.157 29.762 -1.359 0.000 1.368 202 H HN 0.547 nan 8.280 nan 0.000 0.592 203 N N 0.594 119.297 118.700 0.004 0.000 2.422 203 N HA -0.105 4.635 4.740 -0.000 0.000 0.181 203 N C 0.124 175.659 175.510 0.042 0.000 1.080 203 N CA -0.068 53.041 53.050 0.098 0.000 0.893 203 N CB 0.171 38.753 38.487 0.158 0.000 0.973 203 N HN 0.165 nan 8.380 nan 0.000 0.456 204 N N 0.234 118.906 118.700 -0.046 0.000 2.422 204 N HA 0.052 4.792 4.740 -0.000 0.000 0.264 204 N C 0.129 175.636 175.510 -0.006 0.000 1.063 204 N CA 0.168 53.189 53.050 -0.048 0.000 0.959 204 N CB 1.147 39.560 38.487 -0.123 0.000 1.087 204 N HN 0.004 nan 8.380 nan 0.000 0.483 205 S N 2.510 118.232 115.700 0.037 0.000 2.402 205 S HA -0.139 4.330 4.470 -0.000 0.000 0.233 205 S C 1.561 176.206 174.600 0.075 0.000 1.030 205 S CA 1.701 59.947 58.200 0.076 0.000 1.003 205 S CB -0.134 63.108 63.200 0.071 0.000 0.813 205 S HN 0.732 nan 8.310 nan 0.000 0.477 206 T N 1.880 116.451 114.554 0.028 0.000 2.746 206 T HA -0.053 4.297 4.350 -0.000 0.000 0.267 206 T C 1.934 176.668 174.700 0.058 0.000 1.039 206 T CA 1.225 63.343 62.100 0.029 0.000 1.142 206 T CB -0.398 68.449 68.868 -0.035 0.000 0.866 206 T HN 0.214 nan 8.240 nan 0.000 0.444 207 V N 1.725 121.625 119.914 -0.023 0.000 2.358 207 V HA -0.173 3.947 4.120 -0.000 0.000 0.246 207 V C 2.382 178.556 176.094 0.134 0.000 1.047 207 V CA 1.987 64.270 62.300 -0.029 0.000 1.035 207 V CB -0.652 31.020 31.823 -0.253 0.000 0.658 207 V HN 0.505 nan 8.190 nan 0.000 0.452 208 D N 0.124 120.623 120.400 0.164 0.000 2.103 208 D HA -0.183 4.457 4.640 -0.000 0.000 0.190 208 D C 2.008 178.533 176.300 0.376 0.000 0.997 208 D CA 1.969 56.198 54.000 0.382 0.000 0.833 208 D CB -0.173 40.858 40.800 0.386 0.000 0.961 208 D HN 0.184 nan 8.370 nan 0.000 0.447 209 V N -0.279 119.787 119.914 0.253 0.000 2.358 209 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 209 V C 2.095 178.312 176.094 0.205 0.000 1.047 209 V CA 1.766 64.184 62.300 0.196 0.000 1.035 209 V CB -0.849 31.058 31.823 0.141 0.000 0.658 209 V HN 0.348 nan 8.190 nan 0.000 0.452 210 Y N 0.812 121.181 120.300 0.115 0.000 2.128 210 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 210 Y C 2.120 178.119 175.900 0.165 0.000 1.154 210 Y CA 1.878 60.046 58.100 0.112 0.000 1.149 210 Y CB -0.311 38.190 38.460 0.068 0.000 0.976 210 Y HN 0.187 nan 8.280 nan 0.000 0.505 211 L N -0.152 121.126 121.223 0.092 0.000 2.109 211 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 211 L C 2.326 179.377 176.870 0.302 0.000 1.086 211 L CA 1.470 56.402 54.840 0.154 0.000 0.760 211 L CB -0.470 41.807 42.059 0.362 0.000 0.910 211 L HN 0.057 nan 8.230 nan 0.000 0.437 212 K N -0.200 120.357 120.400 0.261 0.000 2.148 212 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 212 K C 1.606 178.178 176.600 -0.046 0.000 1.050 212 K CA 1.176 57.510 56.287 0.079 0.000 0.942 212 K CB -0.053 32.461 32.500 0.023 0.000 0.724 212 K HN 0.171 nan 8.250 nan 0.000 0.446 213 D N 0.230 120.610 120.400 -0.034 0.000 2.162 213 D HA -0.020 4.620 4.640 -0.000 0.000 0.203 213 D C 1.791 178.045 176.300 -0.076 0.000 0.967 213 D CA 0.990 54.942 54.000 -0.081 0.000 0.840 213 D CB -0.080 40.693 40.800 -0.046 0.000 0.972 213 D HN 0.160 nan 8.370 nan 0.000 0.482 214 A N 0.699 123.481 122.820 -0.063 0.000 1.902 214 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 214 A C 2.172 179.900 177.584 0.241 0.000 1.181 214 A CA 0.953 53.036 52.037 0.077 0.000 0.623 214 A CB -0.636 18.412 19.000 0.080 0.000 0.818 214 A HN 0.219 nan 8.150 nan 0.000 0.443 215 I N -0.271 120.376 120.570 0.129 0.000 2.493 215 I HA -0.151 4.019 4.170 -0.000 0.000 0.254 215 I C 2.072 178.194 176.117 0.008 0.000 1.160 215 I CA 1.420 62.703 61.300 -0.028 0.000 1.445 215 I CB -0.265 37.587 38.000 -0.248 0.000 1.086 215 I HN 0.249 nan 8.210 nan 0.000 0.433 216 K N -0.453 119.909 120.400 -0.063 0.000 2.097 216 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 216 K C 2.117 178.720 176.600 0.006 0.000 1.050 216 K CA 1.620 57.871 56.287 -0.061 0.000 0.938 216 K CB -0.257 32.045 32.500 -0.331 0.000 0.718 216 K HN 0.393 nan 8.250 nan 0.000 0.442 217 M N 0.003 119.544 119.600 -0.097 0.000 2.065 217 M HA -0.224 4.256 4.480 -0.000 0.000 0.259 217 M C 1.521 177.663 176.300 -0.263 0.000 1.071 217 M CA 1.967 57.123 55.300 -0.240 0.000 1.109 217 M CB -0.320 32.006 32.600 -0.457 0.000 1.313 217 M HN 0.196 nan 8.290 nan 0.000 0.408 218 W N 0.800 122.091 121.300 -0.014 0.000 2.325 218 W HA -0.207 4.453 4.660 0.000 0.000 0.299 218 W C 2.186 178.731 176.519 0.044 0.000 1.215 218 W CA 0.985 58.316 57.345 -0.023 0.000 1.244 218 W CB -0.731 28.689 29.460 -0.067 0.000 1.140 218 W HN 0.266 nan 8.180 nan 0.000 0.523 219 L N -0.181 121.173 121.223 0.218 0.000 2.017 219 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 219 L C 2.043 179.006 176.870 0.155 0.000 1.073 219 L CA 1.348 56.301 54.840 0.189 0.000 0.745 219 L CB -0.855 41.326 42.059 0.204 0.000 0.894 219 L HN -0.103 nan 8.230 nan 0.000 0.432 220 D N 0.036 120.517 120.400 0.136 0.000 2.265 220 D HA -0.150 4.490 4.640 -0.000 0.000 0.208 220 D C 2.223 178.568 176.300 0.074 0.000 0.977 220 D CA 1.049 55.103 54.000 0.091 0.000 0.871 220 D CB -0.107 40.736 40.800 0.073 0.000 0.925 220 D HN 0.291 nan 8.370 nan 0.000 0.485 221 L N -0.742 120.537 121.223 0.093 0.000 2.465 221 L HA 0.060 4.400 4.340 -0.000 0.000 0.224 221 L C 1.605 178.607 176.870 0.221 0.000 1.145 221 L CA 0.811 55.745 54.840 0.157 0.000 0.834 221 L CB -0.009 42.157 42.059 0.178 0.000 0.944 221 L HN 0.186 nan 8.230 nan 0.000 0.451 222 G N 0.359 109.281 108.800 0.203 0.000 2.154 222 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.186 222 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.186 222 G C 0.425 175.467 174.900 0.236 0.000 1.000 222 G CA -0.019 45.199 45.100 0.195 0.000 0.664 222 G HN 0.361 nan 8.290 nan 0.000 0.513 223 I N -1.884 118.847 120.570 0.269 0.000 2.948 223 I HA 0.351 4.521 4.170 -0.000 0.000 0.290 223 I C 0.591 176.864 176.117 0.261 0.000 1.226 223 I CA 0.378 61.840 61.300 0.270 0.000 1.413 223 I CB 0.561 38.749 38.000 0.313 0.000 1.352 223 I HN -0.048 nan 8.210 nan 0.000 0.597 224 D N 3.484 124.067 120.400 0.305 0.000 2.392 224 D HA 0.262 4.902 4.640 -0.000 0.000 0.206 224 D C 0.672 177.242 176.300 0.450 0.000 1.046 224 D CA 0.461 54.690 54.000 0.381 0.000 0.865 224 D CB 1.162 42.220 40.800 0.430 0.000 0.969 224 D HN 0.843 nan 8.370 nan 0.000 0.509 225 G N 0.312 109.297 108.800 0.309 0.000 2.601 225 G HA2 0.551 4.511 3.960 -0.000 0.000 0.291 225 G HA3 0.551 4.511 3.960 -0.000 0.000 0.291 225 G C -1.737 173.218 174.900 0.091 0.000 1.456 225 G CA -0.710 44.504 45.100 0.190 0.000 0.804 225 G HN -0.024 nan 8.290 nan 0.000 0.499 226 I N 0.476 121.040 120.570 -0.010 0.000 2.509 226 I HA 0.566 4.736 4.170 -0.000 0.000 0.293 226 I C -0.254 175.591 176.117 -0.452 0.000 1.020 226 I CA -1.025 60.203 61.300 -0.120 0.000 1.088 226 I CB 2.338 40.316 38.000 -0.037 0.000 1.267 226 I HN 0.218 nan 8.210 nan 0.000 0.430 227 R N 7.144 127.300 120.500 -0.572 0.000 2.320 227 R HA 0.455 4.795 4.340 -0.000 0.000 0.319 227 R C -1.201 174.873 176.300 -0.377 0.000 0.969 227 R CA -0.760 54.716 56.100 -1.040 0.000 0.857 227 R CB 0.988 30.402 30.300 -1.477 0.000 1.160 227 R HN 0.559 nan 8.270 nan 0.000 0.491 228 M N 2.514 121.950 119.600 -0.273 0.000 2.185 228 M HA 0.130 4.610 4.480 -0.000 0.000 0.357 228 M C 0.065 176.385 176.300 0.032 0.000 1.260 228 M CA -0.356 54.931 55.300 -0.021 0.000 1.124 228 M CB 0.762 33.380 32.600 0.029 0.000 1.600 228 M HN 0.417 nan 8.290 nan 0.000 0.467 229 D N 2.076 122.535 120.400 0.098 0.000 2.210 229 D HA 0.521 5.160 4.640 -0.000 0.000 0.249 229 D C 0.223 176.605 176.300 0.136 0.000 1.062 229 D CA 0.124 54.206 54.000 0.136 0.000 0.891 229 D CB 0.923 41.826 40.800 0.172 0.000 1.186 229 D HN 0.832 nan 8.370 nan 0.000 0.432 230 A N 2.340 125.259 122.820 0.165 0.000 2.687 230 A HA -0.181 4.139 4.320 -0.000 0.000 0.299 230 A C 1.464 179.115 177.584 0.111 0.000 1.497 230 A CA 1.006 53.169 52.037 0.209 0.000 0.751 230 A CB -2.424 16.738 19.000 0.270 0.000 1.048 230 A HN 1.104 nan 8.150 nan 0.000 0.464 231 V N -1.851 118.083 119.914 0.035 0.000 2.759 231 V HA -0.117 4.003 4.120 -0.000 0.000 0.256 231 V C 1.903 177.846 176.094 -0.252 0.000 1.080 231 V CA 2.393 64.674 62.300 -0.031 0.000 1.101 231 V CB -0.570 31.259 31.823 0.010 0.000 0.698 231 V HN 0.677 nan 8.190 nan 0.000 0.477 232 K N -0.603 119.471 120.400 -0.543 0.000 2.504 232 K HA -0.111 4.209 4.320 -0.000 0.000 0.195 232 K C 1.403 177.517 176.600 -0.811 0.000 1.036 232 K CA 0.992 56.656 56.287 -1.040 0.000 0.984 232 K CB -0.163 31.252 32.500 -1.807 0.000 0.788 232 K HN 0.709 nan 8.250 nan 0.000 0.488 233 H N -0.926 118.052 119.070 -0.153 0.000 2.652 233 H HA 0.231 4.787 4.556 -0.000 0.000 0.274 233 H C 0.144 175.395 175.328 -0.128 0.000 1.021 233 H CA 0.028 55.994 56.048 -0.137 0.000 1.187 233 H CB 0.357 30.060 29.762 -0.098 0.000 1.505 233 H HN 0.128 nan 8.280 nan 0.000 0.530 234 M N 0.767 120.352 119.600 -0.024 0.000 2.724 234 M HA 0.383 4.863 4.480 -0.000 0.000 0.310 234 M C -2.525 173.727 176.300 -0.080 0.000 1.217 234 M CA -1.933 53.335 55.300 -0.052 0.000 0.894 234 M CB 2.340 34.921 32.600 -0.033 0.000 1.719 234 M HN -0.231 nan 8.290 nan 0.000 0.479 235 P HA 0.083 nan 4.420 nan 0.000 0.271 235 P C -0.150 177.277 177.300 0.211 0.000 1.220 235 P CA -0.071 62.988 63.100 -0.068 0.000 0.768 235 P CB 0.175 31.927 31.700 0.087 0.000 0.848 236 F N 2.186 122.265 119.950 0.215 0.000 2.069 236 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 236 F C 2.574 178.518 175.800 0.241 0.000 1.113 236 F CA 1.831 60.044 58.000 0.355 0.000 1.214 236 F CB -2.409 36.886 39.000 0.491 0.000 0.978 236 F HN 0.364 nan 8.300 nan 0.000 0.474 237 G N -1.077 107.896 108.800 0.288 0.000 2.469 237 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.219 237 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.219 237 G C 1.593 176.611 174.900 0.197 0.000 1.150 237 G CA 0.798 46.017 45.100 0.198 0.000 0.763 237 G HN 0.490 nan 8.290 nan 0.000 0.561 238 W N 1.329 122.692 121.300 0.104 0.000 2.335 238 W HA -0.126 4.534 4.660 -0.000 0.000 0.311 238 W C 2.942 179.531 176.519 0.117 0.000 1.213 238 W CA 1.923 59.325 57.345 0.095 0.000 1.274 238 W CB -0.195 29.285 29.460 0.034 0.000 1.148 238 W HN 0.286 nan 8.180 nan 0.000 0.498 239 Q N 0.103 120.035 119.800 0.220 0.000 2.135 239 Q HA -0.298 4.042 4.340 -0.000 0.000 0.204 239 Q C 2.218 178.199 176.000 -0.031 0.000 0.981 239 Q CA 2.067 57.927 55.803 0.094 0.000 0.856 239 Q CB -0.510 28.474 28.738 0.409 0.000 0.902 239 Q HN 0.388 nan 8.270 nan 0.000 0.425 240 K N 0.700 121.097 120.400 -0.004 0.000 2.057 240 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 240 K C 2.286 178.818 176.600 -0.112 0.000 1.050 240 K CA 1.570 57.822 56.287 -0.057 0.000 0.935 240 K CB -0.083 32.403 32.500 -0.023 0.000 0.715 240 K HN 0.188 nan 8.250 nan 0.000 0.439 241 S N -0.055 115.541 115.700 -0.173 0.000 2.419 241 S HA -0.165 4.305 4.470 -0.000 0.000 0.233 241 S C 1.845 176.258 174.600 -0.311 0.000 1.016 241 S CA 0.742 58.812 58.200 -0.217 0.000 0.974 241 S CB -0.567 62.510 63.200 -0.205 0.000 0.786 241 S HN 0.457 nan 8.310 nan 0.000 0.492 242 F N 1.877 121.423 119.950 -0.673 0.000 2.206 242 F HA 0.127 4.654 4.527 -0.000 0.000 0.298 242 F C 2.240 177.858 175.800 -0.304 0.000 1.090 242 F CA 1.119 58.740 58.000 -0.632 0.000 1.323 242 F CB -0.240 38.196 39.000 -0.940 0.000 1.028 242 F HN 0.087 nan 8.300 nan 0.000 0.492 243 M N 0.647 120.222 119.600 -0.042 0.000 2.117 243 M HA -0.139 4.341 4.480 -0.000 0.000 0.262 243 M C 2.547 178.760 176.300 -0.145 0.000 1.065 243 M CA 1.602 56.861 55.300 -0.067 0.000 1.114 243 M CB -2.005 30.575 32.600 -0.033 0.000 1.361 243 M HN 0.325 nan 8.290 nan 0.000 0.408 244 A N 0.098 122.833 122.820 -0.143 0.000 1.933 244 A HA -0.007 4.312 4.320 -0.000 0.000 0.218 244 A C 2.446 179.945 177.584 -0.141 0.000 1.175 244 A CA 2.081 54.047 52.037 -0.119 0.000 0.628 244 A CB -0.881 18.061 19.000 -0.095 0.000 0.814 244 A HN 0.478 nan 8.150 nan 0.000 0.444 245 A N -0.482 122.200 122.820 -0.229 0.000 1.877 245 A HA -0.026 4.294 4.320 -0.000 0.000 0.216 245 A C 2.242 179.692 177.584 -0.224 0.000 1.186 245 A CA 1.914 53.797 52.037 -0.256 0.000 0.620 245 A CB -0.965 17.818 19.000 -0.362 0.000 0.822 245 A HN 0.411 nan 8.150 nan 0.000 0.443 246 V N 0.961 120.689 119.914 -0.310 0.000 2.307 246 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 246 V C 2.188 178.260 176.094 -0.036 0.000 1.045 246 V CA 2.142 64.338 62.300 -0.174 0.000 1.024 246 V CB -1.034 30.652 31.823 -0.227 0.000 0.651 246 V HN 0.553 nan 8.190 nan 0.000 0.449 247 N N 0.803 119.472 118.700 -0.051 0.000 2.244 247 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 247 N C 1.492 177.011 175.510 0.014 0.000 1.016 247 N CA 1.009 54.056 53.050 -0.007 0.000 0.866 247 N CB -0.522 37.960 38.487 -0.009 0.000 0.980 247 N HN 0.439 nan 8.380 nan 0.000 0.430 248 N N -0.465 118.242 118.700 0.012 0.000 2.467 248 N HA -0.056 4.684 4.740 -0.000 0.000 0.184 248 N C 0.907 176.478 175.510 0.103 0.000 1.106 248 N CA 0.231 53.301 53.050 0.033 0.000 0.892 248 N CB 0.108 38.598 38.487 0.006 0.000 0.969 248 N HN 0.344 nan 8.380 nan 0.000 0.454 249 Y N 0.700 120.961 120.300 -0.064 0.000 2.488 249 Y HA 0.346 4.896 4.550 -0.000 0.000 0.262 249 Y C -0.340 175.540 175.900 -0.033 0.000 1.108 249 Y CA 0.625 58.693 58.100 -0.054 0.000 1.299 249 Y CB 0.516 38.928 38.460 -0.080 0.000 1.231 249 Y HN -0.314 nan 8.280 nan 0.000 0.507 250 K N 1.709 121.998 120.400 -0.184 0.000 2.705 250 K HA 0.317 4.637 4.320 -0.000 0.000 0.238 250 K C -2.916 173.663 176.600 -0.035 0.000 0.996 250 K CA -2.165 53.984 56.287 -0.231 0.000 1.007 250 K CB 1.842 34.122 32.500 -0.366 0.000 1.206 250 K HN 0.006 nan 8.250 nan 0.000 0.488 251 P HA 0.014 nan 4.420 nan 0.000 0.268 251 P C -0.655 176.698 177.300 0.088 0.000 1.204 251 P CA -0.398 62.730 63.100 0.046 0.000 0.768 251 P CB 0.834 32.574 31.700 0.066 0.000 0.842 252 V N 0.275 120.259 119.914 0.117 0.000 3.012 252 V HA 0.485 4.605 4.120 -0.000 0.000 0.307 252 V C -0.606 175.618 176.094 0.216 0.000 1.166 252 V CA -1.351 61.065 62.300 0.194 0.000 0.974 252 V CB 1.725 33.661 31.823 0.189 0.000 1.040 252 V HN 0.302 nan 8.190 nan 0.000 0.428 253 F N 2.902 122.938 119.950 0.143 0.000 2.571 253 F HA 0.502 5.029 4.527 -0.000 0.000 0.390 253 F C 0.522 176.343 175.800 0.035 0.000 1.043 253 F CA 1.027 59.072 58.000 0.075 0.000 1.164 253 F CB 0.091 39.068 39.000 -0.040 0.000 1.049 253 F HN 0.778 nan 8.300 nan 0.000 0.552 254 T N 8.114 122.405 114.554 -0.438 0.000 2.829 254 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 254 T C -1.090 173.399 174.700 -0.352 0.000 0.999 254 T CA -0.307 61.612 62.100 -0.301 0.000 0.983 254 T CB 1.057 69.860 68.868 -0.108 0.000 0.968 254 T HN 0.394 nan 8.240 nan 0.000 0.446 255 F N -0.470 119.234 119.950 -0.411 0.000 2.569 255 F HA 0.865 5.392 4.527 -0.000 0.000 0.312 255 F C -0.100 175.645 175.800 -0.093 0.000 1.109 255 F CA -1.485 56.345 58.000 -0.284 0.000 0.919 255 F CB 0.949 39.756 39.000 -0.320 0.000 1.211 255 F HN 0.708 nan 8.300 nan 0.000 0.446 256 G N 0.913 109.765 108.800 0.087 0.000 2.471 256 G HA2 0.508 4.468 3.960 -0.000 0.000 0.332 256 G HA3 0.508 4.468 3.960 -0.000 0.000 0.332 256 G C -1.789 173.251 174.900 0.233 0.000 1.176 256 G CA -0.927 44.243 45.100 0.116 0.000 0.949 256 G HN 0.950 nan 8.290 nan 0.000 0.488 257 E N 0.103 120.450 120.200 0.245 0.000 2.146 257 E HA 0.338 4.688 4.350 -0.000 0.000 0.282 257 E C -1.303 175.530 176.600 0.388 0.000 0.989 257 E CA -0.939 55.697 56.400 0.393 0.000 0.799 257 E CB 0.970 30.897 29.700 0.379 0.000 1.088 257 E HN 0.445 nan 8.360 nan 0.000 0.397 258 W N 8.359 129.807 121.300 0.247 0.000 2.451 258 W HA 0.249 4.909 4.660 -0.000 0.000 0.285 258 W C -1.822 174.719 176.519 0.037 0.000 1.024 258 W CA -1.649 55.749 57.345 0.088 0.000 1.421 258 W CB 0.137 29.593 29.460 -0.006 0.000 1.319 258 W HN 0.549 nan 8.180 nan 0.000 0.366 259 F N 5.404 125.306 119.950 -0.081 0.000 2.629 259 F HA 0.216 4.743 4.527 -0.000 0.000 0.377 259 F C -0.339 175.335 175.800 -0.209 0.000 1.101 259 F CA 1.073 58.692 58.000 -0.634 0.000 1.301 259 F CB 0.625 39.311 39.000 -0.524 0.000 1.062 259 F HN 0.157 nan 8.300 nan 0.000 0.583 260 L N 6.046 126.570 121.223 -1.165 0.000 2.386 260 L HA 0.551 4.891 4.340 -0.000 0.000 0.271 260 L C 0.467 176.882 176.870 -0.758 0.000 0.993 260 L CA -0.890 53.675 54.840 -0.457 0.000 0.819 260 L CB 1.648 43.682 42.059 -0.041 0.000 1.294 260 L HN 0.756 nan 8.230 nan 0.000 0.414 261 G N 1.316 110.016 108.800 -0.168 0.000 2.543 261 G HA2 0.480 4.440 3.960 -0.000 0.000 0.290 261 G HA3 0.480 4.440 3.960 -0.000 0.000 0.290 261 G C -0.192 174.718 174.900 0.017 0.000 1.310 261 G CA -0.593 44.523 45.100 0.026 0.000 1.025 261 G HN 0.279 nan 8.290 nan 0.000 0.502 262 V N 1.672 121.626 119.914 0.066 0.000 2.694 262 V HA -0.012 4.108 4.120 -0.000 0.000 0.306 262 V C 0.967 177.090 176.094 0.047 0.000 1.054 262 V CA 0.388 62.720 62.300 0.053 0.000 1.161 262 V CB 0.743 32.598 31.823 0.054 0.000 0.916 262 V HN 0.914 nan 8.190 nan 0.000 0.490 263 N N 1.567 120.292 118.700 0.041 0.000 2.753 263 N HA -0.188 4.552 4.740 -0.000 0.000 0.251 263 N C 0.274 175.813 175.510 0.049 0.000 1.097 263 N CA 1.464 54.538 53.050 0.041 0.000 0.786 263 N CB -0.487 38.020 38.487 0.033 0.000 1.137 263 N HN 0.954 nan 8.380 nan 0.000 0.566 264 E N 0.535 120.768 120.200 0.054 0.000 2.197 264 E HA 0.449 4.799 4.350 -0.000 0.000 0.281 264 E C -0.875 175.764 176.600 0.065 0.000 0.995 264 E CA -0.490 55.946 56.400 0.060 0.000 0.808 264 E CB 1.199 30.938 29.700 0.066 0.000 1.093 264 E HN -0.026 nan 8.360 nan 0.000 0.394 265 V N 3.929 123.875 119.914 0.053 0.000 2.462 265 V HA 0.182 4.302 4.120 -0.000 0.000 0.288 265 V C -0.455 175.611 176.094 -0.048 0.000 1.020 265 V CA -0.666 61.661 62.300 0.046 0.000 0.857 265 V CB 1.491 33.367 31.823 0.089 0.000 1.013 265 V HN 0.613 nan 8.190 nan 0.000 0.431 266 S N 6.652 122.251 115.700 -0.168 0.000 2.442 266 S HA 0.548 5.018 4.470 -0.000 0.000 0.297 266 S C -1.622 172.584 174.600 -0.656 0.000 1.131 266 S CA -1.523 56.525 58.200 -0.253 0.000 1.092 266 S CB 1.895 65.039 63.200 -0.094 0.000 0.998 266 S HN 0.492 nan 8.310 nan 0.000 0.478 267 P HA 0.036 nan 4.420 nan 0.000 0.225 267 P C 0.960 178.107 177.300 -0.254 0.000 1.156 267 P CA 0.703 63.578 63.100 -0.375 0.000 0.787 267 P CB 0.215 31.854 31.700 -0.102 0.000 0.802 268 E N -0.280 119.829 120.200 -0.152 0.000 2.072 268 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 268 E C 1.984 178.337 176.600 -0.411 0.000 0.985 268 E CA 1.011 57.388 56.400 -0.038 0.000 0.801 268 E CB -0.414 29.455 29.700 0.282 0.000 0.750 268 E HN 0.205 nan 8.360 nan 0.000 0.452 269 N N -0.132 118.085 118.700 -0.804 0.000 2.069 269 N HA -0.205 4.535 4.740 -0.000 0.000 0.191 269 N C 1.621 176.858 175.510 -0.456 0.000 1.031 269 N CA 1.666 53.972 53.050 -1.240 0.000 0.852 269 N CB -0.040 37.797 38.487 -1.084 0.000 1.018 269 N HN 0.277 nan 8.380 nan 0.000 0.423 270 H N -0.693 118.190 119.070 -0.310 0.000 2.357 270 H HA -0.041 4.515 4.556 -0.000 0.000 0.301 270 H C 2.023 177.273 175.328 -0.130 0.000 1.082 270 H CA 1.033 56.911 56.048 -0.282 0.000 1.342 270 H CB 0.027 29.545 29.762 -0.407 0.000 1.389 270 H HN 0.209 nan 8.280 nan 0.000 0.511 271 K N 0.727 121.126 120.400 -0.002 0.000 2.057 271 K HA -0.170 4.150 4.320 -0.000 0.000 0.207 271 K C 1.940 178.558 176.600 0.031 0.000 1.049 271 K CA 1.156 57.458 56.287 0.026 0.000 0.931 271 K CB -0.138 32.392 32.500 0.049 0.000 0.714 271 K HN 0.161 nan 8.250 nan 0.000 0.440 272 F N 1.196 121.040 119.950 -0.176 0.000 2.095 272 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 272 F C 2.023 177.783 175.800 -0.066 0.000 1.104 272 F CA 1.699 59.589 58.000 -0.184 0.000 1.232 272 F CB -0.384 38.393 39.000 -0.372 0.000 0.987 272 F HN 0.090 nan 8.300 nan 0.000 0.475 273 A N 0.115 123.026 122.820 0.152 0.000 1.933 273 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 273 A C 1.917 179.535 177.584 0.056 0.000 1.175 273 A CA 1.945 54.074 52.037 0.154 0.000 0.628 273 A CB -0.781 18.430 19.000 0.351 0.000 0.814 273 A HN 0.501 nan 8.150 nan 0.000 0.444 274 N N -0.557 118.171 118.700 0.047 0.000 2.376 274 N HA -0.009 4.731 4.740 -0.000 0.000 0.177 274 N C 1.238 176.722 175.510 -0.043 0.000 1.024 274 N CA 1.182 54.242 53.050 0.016 0.000 0.893 274 N CB 0.006 38.505 38.487 0.019 0.000 0.980 274 N HN 0.691 nan 8.380 nan 0.000 0.439 275 E N -1.014 119.128 120.200 -0.096 0.000 2.541 275 E HA 0.086 4.436 4.350 -0.000 0.000 0.219 275 E C 1.327 177.811 176.600 -0.193 0.000 0.922 275 E CA 0.014 56.347 56.400 -0.112 0.000 1.095 275 E CB 0.394 30.059 29.700 -0.058 0.000 1.112 275 E HN 0.227 nan 8.360 nan 0.000 0.516 276 S N -0.284 115.193 115.700 -0.371 0.000 2.428 276 S HA 0.030 4.499 4.470 -0.000 0.000 0.230 276 S C 1.769 176.190 174.600 -0.299 0.000 1.014 276 S CA 1.105 59.005 58.200 -0.500 0.000 0.957 276 S CB 0.196 62.634 63.200 -1.270 0.000 0.784 276 S HN 0.337 nan 8.310 nan 0.000 0.499 277 G N 1.041 109.705 108.800 -0.227 0.000 2.253 277 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.209 277 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.209 277 G C -0.000 174.827 174.900 -0.122 0.000 0.997 277 G CA 0.064 45.076 45.100 -0.147 0.000 0.640 277 G HN 0.901 nan 8.290 nan 0.000 0.496 278 M N 0.104 119.611 119.600 -0.156 0.000 2.755 278 M HA 0.873 5.353 4.480 -0.000 0.000 0.298 278 M C 0.335 176.601 176.300 -0.056 0.000 1.251 278 M CA -0.215 55.027 55.300 -0.097 0.000 0.817 278 M CB 1.950 34.535 32.600 -0.025 0.000 1.760 278 M HN 0.622 nan 8.290 nan 0.000 0.473 279 S N 0.363 116.039 115.700 -0.040 0.000 2.753 279 S HA 0.919 5.389 4.470 -0.000 0.000 0.302 279 S C -0.601 174.079 174.600 0.133 0.000 1.104 279 S CA -0.817 57.397 58.200 0.024 0.000 0.968 279 S CB 1.359 64.548 63.200 -0.020 0.000 1.278 279 S HN 0.770 nan 8.310 nan 0.000 0.549 280 L N -0.501 120.793 121.223 0.118 0.000 2.403 280 L HA 0.517 4.857 4.340 -0.000 0.000 0.253 280 L C -1.121 175.867 176.870 0.198 0.000 1.045 280 L CA -1.038 53.933 54.840 0.219 0.000 0.845 280 L CB 1.545 43.747 42.059 0.239 0.000 1.447 280 L HN 0.577 nan 8.230 nan 0.000 0.411 281 L N 1.334 122.747 121.223 0.317 0.000 2.410 281 L HA 0.096 4.436 4.340 -0.000 0.000 0.273 281 L C 0.057 177.098 176.870 0.284 0.000 1.144 281 L CA 0.039 55.053 54.840 0.291 0.000 0.863 281 L CB 0.256 42.460 42.059 0.241 0.000 1.140 281 L HN 0.494 nan 8.230 nan 0.000 0.463 282 D N 3.293 123.819 120.400 0.210 0.000 2.545 282 D HA -0.004 4.636 4.640 -0.000 0.000 0.227 282 D C 0.929 177.246 176.300 0.028 0.000 1.150 282 D CA 0.133 54.176 54.000 0.072 0.000 1.046 282 D CB 0.167 40.903 40.800 -0.107 0.000 1.098 282 D HN 0.293 nan 8.370 nan 0.000 0.502 283 F N 1.091 121.174 119.950 0.222 0.000 2.216 283 F HA -0.054 4.473 4.527 -0.000 0.000 0.300 283 F C 2.550 178.360 175.800 0.017 0.000 1.085 283 F CA 0.715 58.781 58.000 0.110 0.000 1.326 283 F CB -0.034 38.979 39.000 0.021 0.000 1.027 283 F HN 0.267 nan 8.300 nan 0.000 0.497 284 R N -0.453 120.194 120.500 0.246 0.000 2.081 284 R HA -0.209 4.131 4.340 -0.000 0.000 0.235 284 R C 2.325 178.719 176.300 0.156 0.000 1.131 284 R CA 1.659 57.878 56.100 0.199 0.000 0.960 284 R CB -0.655 29.804 30.300 0.266 0.000 0.856 284 R HN 0.306 nan 8.270 nan 0.000 0.436 285 F N 0.978 120.913 119.950 -0.024 0.000 2.051 285 F HA -0.143 4.384 4.527 -0.000 0.000 0.296 285 F C 2.217 177.940 175.800 -0.128 0.000 1.122 285 F CA 1.683 59.651 58.000 -0.053 0.000 1.201 285 F CB -0.619 38.326 39.000 -0.092 0.000 0.978 285 F HN 0.109 nan 8.300 nan 0.000 0.472 286 A N 0.409 123.174 122.820 -0.092 0.000 1.884 286 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 286 A C 2.152 179.675 177.584 -0.102 0.000 1.197 286 A CA 2.142 53.980 52.037 -0.330 0.000 0.637 286 A CB -1.106 17.291 19.000 -1.006 0.000 0.827 286 A HN 0.583 nan 8.150 nan 0.000 0.450 287 Q N -0.763 119.023 119.800 -0.023 0.000 2.096 287 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 287 Q C 2.108 178.109 176.000 0.002 0.000 0.982 287 Q CA 2.032 57.855 55.803 0.034 0.000 0.850 287 Q CB -0.397 28.376 28.738 0.058 0.000 0.901 287 Q HN 0.643 nan 8.270 nan 0.000 0.422 288 K N 0.614 120.990 120.400 -0.039 0.000 2.103 288 K HA -0.035 4.285 4.320 -0.000 0.000 0.204 288 K C 1.990 178.525 176.600 -0.109 0.000 1.052 288 K CA 0.606 56.847 56.287 -0.076 0.000 0.945 288 K CB -0.318 32.127 32.500 -0.091 0.000 0.722 288 K HN -0.017 nan 8.250 nan 0.000 0.443 289 V N 1.058 120.884 119.914 -0.146 0.000 2.407 289 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 289 V C 2.258 178.473 176.094 0.203 0.000 1.055 289 V CA 1.964 64.243 62.300 -0.034 0.000 1.049 289 V CB -0.402 31.346 31.823 -0.125 0.000 0.662 289 V HN 0.304 nan 8.190 nan 0.000 0.455 290 R N -0.695 119.900 120.500 0.157 0.000 2.073 290 R HA -0.118 4.222 4.340 -0.000 0.000 0.229 290 R C 2.433 178.759 176.300 0.044 0.000 1.120 290 R CA 1.251 57.449 56.100 0.163 0.000 0.967 290 R CB -0.310 30.051 30.300 0.102 0.000 0.862 290 R HN 0.573 nan 8.270 nan 0.000 0.436 291 Q N 0.154 119.956 119.800 0.004 0.000 2.061 291 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 291 Q C 2.228 178.186 176.000 -0.069 0.000 0.984 291 Q CA 1.868 57.651 55.803 -0.034 0.000 0.846 291 Q CB -0.060 28.654 28.738 -0.039 0.000 0.902 291 Q HN 0.202 nan 8.270 nan 0.000 0.421 292 V N -0.337 119.505 119.914 -0.121 0.000 2.283 292 V HA -0.198 3.921 4.120 -0.000 0.000 0.243 292 V C 1.733 177.666 176.094 -0.269 0.000 1.039 292 V CA 1.745 63.879 62.300 -0.276 0.000 1.016 292 V CB -0.475 31.042 31.823 -0.511 0.000 0.650 292 V HN 0.237 nan 8.190 nan 0.000 0.449 293 F N -0.892 119.053 119.950 -0.007 0.000 2.619 293 F HA 0.226 4.753 4.527 -0.000 0.000 0.293 293 F C 2.380 178.253 175.800 0.121 0.000 1.119 293 F CA 0.723 58.781 58.000 0.097 0.000 1.445 293 F CB -0.003 39.114 39.000 0.194 0.000 1.119 293 F HN -0.094 nan 8.300 nan 0.000 0.573 294 R N 0.006 120.584 120.500 0.131 0.000 2.098 294 R HA 0.039 4.379 4.340 -0.000 0.000 0.203 294 R C 1.096 177.318 176.300 -0.130 0.000 1.166 294 R CA 0.798 56.783 56.100 -0.191 0.000 1.090 294 R CB 0.032 29.932 30.300 -0.666 0.000 0.992 294 R HN 0.013 nan 8.270 nan 0.000 0.477 295 D N 0.595 120.932 120.400 -0.104 0.000 2.354 295 D HA 0.028 4.668 4.640 -0.000 0.000 0.209 295 D C -0.427 175.843 176.300 -0.051 0.000 1.015 295 D CA 0.321 54.274 54.000 -0.078 0.000 0.867 295 D CB 0.013 40.772 40.800 -0.069 0.000 0.933 295 D HN 0.276 nan 8.370 nan 0.000 0.520 296 N N -0.111 118.559 118.700 -0.050 0.000 2.740 296 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 296 N C 0.234 175.718 175.510 -0.044 0.000 1.062 296 N CA 1.011 54.031 53.050 -0.050 0.000 0.704 296 N CB -1.831 36.634 38.487 -0.036 0.000 0.968 296 N HN 0.236 nan 8.380 nan 0.000 0.547 297 T N -5.028 109.500 114.554 -0.044 0.000 3.092 297 T HA 0.276 4.626 4.350 -0.000 0.000 0.258 297 T C -0.045 174.634 174.700 -0.034 0.000 1.031 297 T CA -0.117 61.964 62.100 -0.032 0.000 0.925 297 T CB 0.707 69.561 68.868 -0.023 0.000 1.036 297 T HN 0.260 nan 8.240 nan 0.000 0.544 298 D N 0.899 121.267 120.400 -0.053 0.000 2.648 298 D HA 0.361 5.001 4.640 -0.000 0.000 0.244 298 D C -1.298 174.949 176.300 -0.087 0.000 1.244 298 D CA -0.512 53.455 54.000 -0.055 0.000 0.772 298 D CB 1.808 42.577 40.800 -0.052 0.000 1.379 298 D HN 0.255 nan 8.370 nan 0.000 0.428 299 N N 0.566 119.231 118.700 -0.059 0.000 2.938 299 N HA 0.264 5.004 4.740 -0.000 0.000 0.335 299 N C 0.996 176.416 175.510 -0.149 0.000 1.358 299 N CA -0.446 52.551 53.050 -0.089 0.000 0.812 299 N CB 0.078 38.574 38.487 0.015 0.000 1.233 299 N HN 0.210 nan 8.380 nan 0.000 0.593 300 M N -0.866 118.608 119.600 -0.210 0.000 2.202 300 M HA -0.058 4.422 4.480 -0.000 0.000 0.262 300 M C 1.454 177.577 176.300 -0.296 0.000 1.063 300 M CA 1.530 56.642 55.300 -0.313 0.000 1.097 300 M CB -1.429 30.961 32.600 -0.350 0.000 1.382 300 M HN 0.497 nan 8.290 nan 0.000 0.413 301 Y N 0.103 120.359 120.300 -0.072 0.000 2.274 301 Y HA -0.080 4.470 4.550 -0.000 0.000 0.290 301 Y C 2.636 178.504 175.900 -0.054 0.000 1.145 301 Y CA 1.421 59.489 58.100 -0.053 0.000 1.203 301 Y CB -1.317 37.114 38.460 -0.049 0.000 0.984 301 Y HN 0.307 nan 8.280 nan 0.000 0.533 302 G N -0.386 108.447 108.800 0.055 0.000 2.404 302 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.215 302 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.215 302 G C 1.611 176.483 174.900 -0.046 0.000 1.174 302 G CA 0.785 45.886 45.100 0.001 0.000 0.780 302 G HN 0.281 nan 8.290 nan 0.000 0.537 303 L N 0.965 122.118 121.223 -0.117 0.000 2.046 303 L HA 0.027 4.367 4.340 -0.000 0.000 0.208 303 L C 2.734 179.569 176.870 -0.057 0.000 1.077 303 L CA 2.343 57.096 54.840 -0.144 0.000 0.747 303 L CB -0.521 41.375 42.059 -0.272 0.000 0.896 303 L HN 0.310 nan 8.230 nan 0.000 0.432 304 K N -0.797 119.574 120.400 -0.048 0.000 2.057 304 K HA -0.176 4.144 4.320 -0.000 0.000 0.207 304 K C 1.931 178.547 176.600 0.028 0.000 1.049 304 K CA 1.444 57.730 56.287 -0.003 0.000 0.931 304 K CB -0.229 32.265 32.500 -0.010 0.000 0.714 304 K HN 0.355 nan 8.250 nan 0.000 0.440 305 A N 1.606 124.446 122.820 0.033 0.000 2.015 305 A HA -0.146 4.174 4.320 -0.000 0.000 0.219 305 A C 2.113 179.722 177.584 0.042 0.000 1.163 305 A CA 1.430 53.491 52.037 0.041 0.000 0.646 305 A CB -0.538 18.488 19.000 0.044 0.000 0.806 305 A HN 0.516 nan 8.150 nan 0.000 0.448 306 M N -0.233 119.390 119.600 0.037 0.000 2.156 306 M HA -0.033 4.447 4.480 -0.000 0.000 0.264 306 M C 1.854 178.211 176.300 0.094 0.000 1.067 306 M CA 1.594 56.931 55.300 0.061 0.000 1.131 306 M CB -0.783 31.841 32.600 0.041 0.000 1.368 306 M HN 0.418 nan 8.290 nan 0.000 0.416 307 L N 0.577 121.852 121.223 0.086 0.000 1.994 307 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 307 L C 2.587 179.505 176.870 0.080 0.000 1.071 307 L CA 1.630 56.531 54.840 0.101 0.000 0.745 307 L CB -0.843 41.261 42.059 0.075 0.000 0.892 307 L HN 0.356 nan 8.230 nan 0.000 0.431 308 E N 0.150 120.387 120.200 0.060 0.000 2.072 308 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 308 E C 2.183 178.805 176.600 0.036 0.000 0.985 308 E CA 1.313 57.742 56.400 0.049 0.000 0.801 308 E CB -0.539 29.186 29.700 0.043 0.000 0.750 308 E HN 0.519 nan 8.360 nan 0.000 0.452 309 G N 2.492 111.312 108.800 0.033 0.000 2.511 309 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.216 309 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.216 309 G C 1.889 176.776 174.900 -0.021 0.000 1.218 309 G CA 2.080 47.182 45.100 0.005 0.000 0.788 309 G HN 0.436 nan 8.290 nan 0.000 0.560 310 S N 1.363 117.092 115.700 0.048 0.000 2.402 310 S HA 0.014 4.484 4.470 -0.000 0.000 0.233 310 S C 2.550 177.226 174.600 0.126 0.000 1.030 310 S CA 1.726 60.001 58.200 0.124 0.000 1.003 310 S CB -0.544 62.828 63.200 0.287 0.000 0.813 310 S HN 0.725 nan 8.310 nan 0.000 0.477 311 A N 1.588 124.459 122.820 0.085 0.000 2.019 311 A HA 0.353 4.673 4.320 -0.000 0.000 0.219 311 A C 2.443 180.040 177.584 0.021 0.000 1.164 311 A CA 1.613 53.691 52.037 0.069 0.000 0.644 311 A CB -1.187 17.849 19.000 0.061 0.000 0.805 311 A HN 0.886 nan 8.150 nan 0.000 0.449 312 A N -0.345 122.461 122.820 -0.023 0.000 1.903 312 A HA -0.021 4.299 4.320 -0.000 0.000 0.213 312 A C 1.739 179.236 177.584 -0.145 0.000 1.185 312 A CA 1.386 53.386 52.037 -0.062 0.000 0.628 312 A CB -0.276 18.691 19.000 -0.056 0.000 0.830 312 A HN 0.404 nan 8.150 nan 0.000 0.446 313 D N -1.145 119.081 120.400 -0.290 0.000 2.149 313 D HA -0.021 4.619 4.640 -0.000 0.000 0.201 313 D C -0.305 175.620 176.300 -0.625 0.000 0.972 313 D CA 0.886 54.515 54.000 -0.618 0.000 0.835 313 D CB -0.178 39.863 40.800 -1.266 0.000 0.966 313 D HN 0.487 nan 8.370 nan 0.000 0.476 314 Y N 0.162 120.348 120.300 -0.190 0.000 2.327 314 Y HA 0.405 4.955 4.550 -0.000 0.000 0.336 314 Y C 1.255 177.117 175.900 -0.063 0.000 1.035 314 Y CA -0.724 57.317 58.100 -0.098 0.000 1.165 314 Y CB 1.501 39.928 38.460 -0.055 0.000 1.181 314 Y HN -0.174 nan 8.280 nan 0.000 0.494 315 A N 2.650 125.525 122.820 0.091 0.000 2.019 315 A HA -0.128 4.191 4.320 -0.000 0.000 0.219 315 A C 0.671 178.269 177.584 0.023 0.000 1.164 315 A CA 1.152 53.204 52.037 0.025 0.000 0.644 315 A CB -0.204 18.800 19.000 0.007 0.000 0.805 315 A HN 0.792 nan 8.150 nan 0.000 0.449 316 Q N -1.275 118.580 119.800 0.091 0.000 3.064 316 Q HA 0.377 4.717 4.340 -0.000 0.000 0.258 316 Q C 0.414 176.476 176.000 0.104 0.000 0.972 316 Q CA -0.127 55.727 55.803 0.086 0.000 0.761 316 Q CB 1.210 30.016 28.738 0.113 0.000 1.281 316 Q HN 0.106 nan 8.270 nan 0.000 0.455 317 V N 1.279 121.254 119.914 0.102 0.000 2.392 317 V HA -0.296 3.824 4.120 -0.000 0.000 0.249 317 V C 0.514 176.620 176.094 0.020 0.000 1.059 317 V CA 2.591 64.927 62.300 0.061 0.000 1.051 317 V CB 0.154 32.034 31.823 0.094 0.000 0.658 317 V HN 0.734 nan 8.190 nan 0.000 0.455 318 D N -0.400 120.059 120.400 0.099 0.000 2.351 318 D HA -0.123 4.517 4.640 -0.000 0.000 0.216 318 D C 1.404 177.805 176.300 0.168 0.000 0.968 318 D CA 0.993 55.072 54.000 0.133 0.000 0.899 318 D CB -0.169 40.777 40.800 0.244 0.000 0.907 318 D HN 0.459 nan 8.370 nan 0.000 0.514 319 D N -0.036 120.472 120.400 0.180 0.000 2.350 319 D HA -0.008 4.632 4.640 -0.000 0.000 0.213 319 D C 0.372 176.742 176.300 0.117 0.000 1.031 319 D CA 0.310 54.467 54.000 0.261 0.000 0.861 319 D CB 0.176 41.164 40.800 0.315 0.000 0.926 319 D HN 0.108 nan 8.370 nan 0.000 0.520 320 Q N 0.569 120.332 119.800 -0.061 0.000 2.332 320 Q HA 0.191 4.531 4.340 -0.000 0.000 0.263 320 Q C -0.073 175.836 176.000 -0.151 0.000 0.979 320 Q CA -0.194 55.511 55.803 -0.163 0.000 0.885 320 Q CB 1.509 30.034 28.738 -0.356 0.000 1.218 320 Q HN -0.108 nan 8.270 nan 0.000 0.405 321 V N 3.295 123.129 119.914 -0.133 0.000 2.368 321 V HA 0.234 4.354 4.120 -0.000 0.000 0.266 321 V C 0.613 176.698 176.094 -0.016 0.000 1.045 321 V CA -0.532 61.670 62.300 -0.164 0.000 0.899 321 V CB 0.629 32.214 31.823 -0.396 0.000 1.006 321 V HN 0.882 nan 8.190 nan 0.000 0.470 322 T N 2.802 117.271 114.554 -0.143 0.000 2.918 322 T HA 0.856 5.206 4.350 -0.000 0.000 0.283 322 T C -0.616 174.184 174.700 0.168 0.000 1.001 322 T CA -0.449 61.502 62.100 -0.247 0.000 1.041 322 T CB 1.587 69.927 68.868 -0.881 0.000 1.028 322 T HN 0.753 nan 8.240 nan 0.000 0.511 323 F N -0.751 119.212 119.950 0.023 0.000 2.842 323 F HA 0.509 5.036 4.527 -0.000 0.000 0.319 323 F C -0.063 175.840 175.800 0.172 0.000 1.159 323 F CA -1.375 56.679 58.000 0.090 0.000 0.902 323 F CB 0.658 39.697 39.000 0.065 0.000 1.311 323 F HN 0.597 nan 8.300 nan 0.000 0.453 324 I N -1.200 119.510 120.570 0.233 0.000 4.139 324 I HA 0.468 4.638 4.170 -0.000 0.000 0.335 324 I C -1.033 175.294 176.117 0.351 0.000 1.327 324 I CA 0.174 61.578 61.300 0.173 0.000 1.112 324 I CB 0.507 38.499 38.000 -0.012 0.000 1.058 324 I HN 0.703 nan 8.210 nan 0.000 0.396 325 D N 0.715 121.396 120.400 0.470 0.000 2.755 325 D HA 0.362 5.002 4.640 -0.000 0.000 0.277 325 D C -1.144 175.245 176.300 0.149 0.000 1.261 325 D CA -0.610 53.613 54.000 0.373 0.000 0.759 325 D CB 0.581 41.551 40.800 0.283 0.000 1.279 325 D HN 0.318 nan 8.370 nan 0.000 0.420 326 N N -2.538 116.013 118.700 -0.249 0.000 3.449 326 N HA 0.155 4.895 4.740 -0.000 0.000 0.312 326 N C 0.667 175.578 175.510 -0.998 0.000 1.557 326 N CA -0.489 52.079 53.050 -0.803 0.000 0.864 326 N CB -0.228 37.958 38.487 -0.502 0.000 1.799 326 N HN 0.579 nan 8.380 nan 0.000 0.554 327 H N -1.777 116.817 119.070 -0.794 0.000 2.557 327 H HA 0.071 4.627 4.556 -0.000 0.000 0.287 327 H C -0.720 174.558 175.328 -0.084 0.000 1.043 327 H CA 1.022 56.873 56.048 -0.328 0.000 1.226 327 H CB -0.323 29.522 29.762 0.138 0.000 1.361 327 H HN 0.506 nan 8.280 nan 0.000 0.592 328 D N 0.404 120.529 120.400 -0.458 0.000 2.462 328 D HA 0.267 4.907 4.640 -0.000 0.000 0.221 328 D C 0.321 176.628 176.300 0.013 0.000 1.173 328 D CA 0.072 53.976 54.000 -0.161 0.000 0.831 328 D CB 0.564 41.320 40.800 -0.074 0.000 1.001 328 D HN 0.410 nan 8.370 nan 0.000 0.499 329 M N -0.188 119.415 119.600 0.006 0.000 2.683 329 M HA 0.270 4.750 4.480 -0.000 0.000 0.274 329 M C -0.643 175.694 176.300 0.061 0.000 1.272 329 M CA -1.008 54.350 55.300 0.098 0.000 0.833 329 M CB 2.280 35.008 32.600 0.214 0.000 1.708 329 M HN -0.250 nan 8.290 nan 0.000 0.463 330 E N 1.164 121.408 120.200 0.074 0.000 2.404 330 E HA 0.277 4.627 4.350 -0.000 0.000 0.261 330 E C -0.876 175.786 176.600 0.104 0.000 1.074 330 E CA -0.583 55.854 56.400 0.063 0.000 0.917 330 E CB 0.457 30.179 29.700 0.035 0.000 0.965 330 E HN 0.391 nan 8.360 nan 0.000 0.433 331 R N 1.248 121.820 120.500 0.120 0.000 2.489 331 R HA -0.005 4.335 4.340 -0.000 0.000 0.287 331 R C 0.600 177.035 176.300 0.224 0.000 1.053 331 R CA -0.173 56.043 56.100 0.195 0.000 1.036 331 R CB 0.131 30.542 30.300 0.185 0.000 0.966 331 R HN 0.632 nan 8.270 nan 0.000 0.432 332 F N 2.342 122.379 119.950 0.146 0.000 2.087 332 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 332 F C 1.291 177.200 175.800 0.181 0.000 1.100 332 F CA 1.738 59.828 58.000 0.149 0.000 1.226 332 F CB -0.357 38.732 39.000 0.149 0.000 0.983 332 F HN 0.544 nan 8.300 nan 0.000 0.479 333 H N 0.457 119.771 119.070 0.406 0.000 2.848 333 H HA 0.462 5.018 4.556 -0.000 0.000 0.317 333 H C -0.481 174.928 175.328 0.133 0.000 1.046 333 H CA -0.427 55.796 56.048 0.293 0.000 1.470 333 H CB 0.435 30.381 29.762 0.306 0.000 1.483 333 H HN 0.269 nan 8.280 nan 0.000 0.548 334 A N 3.917 126.463 122.820 -0.458 0.000 2.305 334 A HA 0.314 4.634 4.320 -0.000 0.000 0.322 334 A C 1.508 178.742 177.584 -0.582 0.000 1.187 334 A CA 0.032 51.843 52.037 -0.377 0.000 0.825 334 A CB 0.957 19.830 19.000 -0.211 0.000 1.164 334 A HN 0.882 nan 8.150 nan 0.000 0.498 335 S N 1.403 116.930 115.700 -0.288 0.000 2.399 335 S HA -0.214 4.256 4.470 -0.000 0.000 0.235 335 S C 1.481 176.010 174.600 -0.119 0.000 1.063 335 S CA 2.243 60.346 58.200 -0.162 0.000 1.070 335 S CB -0.434 62.728 63.200 -0.063 0.000 0.904 335 S HN 0.902 nan 8.310 nan 0.000 0.456 336 N N 0.131 118.755 118.700 -0.127 0.000 2.214 336 N HA 0.318 5.058 4.740 -0.000 0.000 0.214 336 N C -0.087 175.389 175.510 -0.056 0.000 1.132 336 N CA 0.262 53.274 53.050 -0.064 0.000 0.856 336 N CB 0.257 38.712 38.487 -0.053 0.000 1.020 336 N HN 0.340 nan 8.380 nan 0.000 0.509 337 A N 0.812 123.567 122.820 -0.110 0.000 2.281 337 A HA 0.348 4.668 4.320 -0.000 0.000 0.329 337 A C 0.053 177.722 177.584 0.142 0.000 1.122 337 A CA -0.665 51.366 52.037 -0.010 0.000 0.850 337 A CB 0.651 19.616 19.000 -0.058 0.000 1.207 337 A HN 0.203 nan 8.150 nan 0.000 0.495 338 N N 0.150 118.931 118.700 0.135 0.000 2.468 338 N HA 0.036 4.776 4.740 -0.000 0.000 0.265 338 N C 1.010 176.653 175.510 0.222 0.000 1.199 338 N CA 0.147 53.282 53.050 0.142 0.000 0.928 338 N CB 0.497 39.045 38.487 0.102 0.000 1.059 338 N HN 0.609 nan 8.380 nan 0.000 0.467 339 R N 2.261 122.843 120.500 0.137 0.000 2.152 339 R HA -0.137 4.203 4.340 -0.000 0.000 0.232 339 R C 1.501 177.890 176.300 0.149 0.000 1.117 339 R CA 0.833 56.972 56.100 0.065 0.000 0.981 339 R CB 0.001 30.149 30.300 -0.252 0.000 0.870 339 R HN 0.467 nan 8.270 nan 0.000 0.451 340 R N 1.861 122.436 120.500 0.125 0.000 2.139 340 R HA -0.149 4.191 4.340 -0.000 0.000 0.243 340 R C 1.559 177.954 176.300 0.157 0.000 1.145 340 R CA 1.660 57.835 56.100 0.125 0.000 0.976 340 R CB -0.126 30.236 30.300 0.103 0.000 0.866 340 R HN 0.144 nan 8.270 nan 0.000 0.449 341 K N 0.136 120.678 120.400 0.237 0.000 2.026 341 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 341 K C 2.158 178.923 176.600 0.275 0.000 1.048 341 K CA 1.679 58.169 56.287 0.339 0.000 0.929 341 K CB -0.569 32.207 32.500 0.460 0.000 0.713 341 K HN 0.313 nan 8.250 nan 0.000 0.439 342 L N 1.784 123.189 121.223 0.304 0.000 2.056 342 L HA -0.187 4.153 4.340 -0.000 0.000 0.207 342 L C 2.116 178.893 176.870 -0.154 0.000 1.078 342 L CA 1.498 56.314 54.840 -0.039 0.000 0.749 342 L CB -0.142 42.039 42.059 0.204 0.000 0.901 342 L HN 0.161 nan 8.230 nan 0.000 0.433 343 E N -0.355 119.844 120.200 -0.002 0.000 2.058 343 E HA -0.290 4.060 4.350 -0.000 0.000 0.194 343 E C 2.206 178.741 176.600 -0.109 0.000 0.997 343 E CA 1.723 58.104 56.400 -0.032 0.000 0.801 343 E CB -0.225 29.506 29.700 0.052 0.000 0.746 343 E HN 0.624 nan 8.360 nan 0.000 0.450 344 Q N 0.309 120.044 119.800 -0.109 0.000 2.030 344 Q HA -0.195 4.145 4.340 -0.000 0.000 0.204 344 Q C 2.389 178.090 176.000 -0.498 0.000 0.986 344 Q CA 1.436 57.116 55.803 -0.206 0.000 0.843 344 Q CB -0.293 28.390 28.738 -0.091 0.000 0.904 344 Q HN 0.289 nan 8.270 nan 0.000 0.420 345 A N 0.907 123.305 122.820 -0.703 0.000 1.940 345 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 345 A C 2.103 179.481 177.584 -0.343 0.000 1.176 345 A CA 1.195 52.777 52.037 -0.758 0.000 0.631 345 A CB -0.715 17.780 19.000 -0.842 0.000 0.814 345 A HN 0.279 nan 8.150 nan 0.000 0.446 346 L N -0.894 120.151 121.223 -0.296 0.000 1.994 346 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 346 L C 3.159 179.972 176.870 -0.095 0.000 1.071 346 L CA 1.173 55.914 54.840 -0.165 0.000 0.745 346 L CB -0.671 41.299 42.059 -0.148 0.000 0.892 346 L HN 0.432 nan 8.230 nan 0.000 0.431 347 A N -0.121 122.642 122.820 -0.095 0.000 1.917 347 A HA -0.310 4.010 4.320 -0.000 0.000 0.219 347 A C 2.197 179.796 177.584 0.025 0.000 1.182 347 A CA 1.980 53.987 52.037 -0.049 0.000 0.633 347 A CB -0.996 17.973 19.000 -0.052 0.000 0.819 347 A HN 0.419 nan 8.150 nan 0.000 0.448 348 F N 1.331 121.217 119.950 -0.106 0.000 2.095 348 F HA -0.183 4.344 4.527 -0.000 0.000 0.298 348 F C 2.535 178.398 175.800 0.104 0.000 1.104 348 F CA 2.412 60.423 58.000 0.019 0.000 1.232 348 F CB -0.771 38.143 39.000 -0.144 0.000 0.987 348 F HN 0.223 nan 8.300 nan 0.000 0.475 349 T N 1.685 116.297 114.554 0.095 0.000 2.674 349 T HA -0.191 4.159 4.350 -0.000 0.000 0.265 349 T C 2.151 176.801 174.700 -0.083 0.000 1.039 349 T CA 1.863 64.006 62.100 0.071 0.000 1.150 349 T CB -0.671 68.285 68.868 0.147 0.000 0.864 349 T HN 0.255 nan 8.240 nan 0.000 0.427 350 L N 1.321 122.501 121.223 -0.071 0.000 2.187 350 L HA -0.097 4.243 4.340 -0.000 0.000 0.213 350 L C 2.684 179.485 176.870 -0.114 0.000 1.100 350 L CA 1.552 56.334 54.840 -0.097 0.000 0.765 350 L CB -1.028 40.977 42.059 -0.091 0.000 0.904 350 L HN 0.463 nan 8.230 nan 0.000 0.437 351 T N -5.688 108.805 114.554 -0.102 0.000 3.069 351 T HA 0.170 4.519 4.350 -0.000 0.000 0.252 351 T C 0.754 175.429 174.700 -0.041 0.000 1.053 351 T CA -0.288 61.771 62.100 -0.069 0.000 0.964 351 T CB 0.310 69.151 68.868 -0.044 0.000 1.005 351 T HN 0.004 nan 8.240 nan 0.000 0.532 352 S N 2.273 117.867 115.700 -0.177 0.000 2.687 352 S HA 0.589 5.059 4.470 -0.000 0.000 0.283 352 S C 0.379 174.863 174.600 -0.192 0.000 1.170 352 S CA -1.039 57.021 58.200 -0.233 0.000 1.008 352 S CB 0.953 63.907 63.200 -0.410 0.000 1.026 352 S HN 0.632 nan 8.310 nan 0.000 0.541 353 R N 1.007 121.421 120.500 -0.143 0.000 2.811 353 R HA 0.496 4.836 4.340 -0.000 0.000 0.265 353 R C 0.522 176.688 176.300 -0.222 0.000 1.026 353 R CA 0.671 56.697 56.100 -0.123 0.000 1.142 353 R CB -1.372 28.904 30.300 -0.039 0.000 1.027 353 R HN 0.936 nan 8.270 nan 0.000 0.465 354 G N -0.285 108.413 108.800 -0.171 0.000 2.396 354 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.254 354 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.254 354 G C -1.546 173.240 174.900 -0.190 0.000 1.248 354 G CA -0.365 44.617 45.100 -0.197 0.000 1.033 354 G HN 0.664 nan 8.290 nan 0.000 0.502 355 V N 2.966 122.762 119.914 -0.196 0.000 2.304 355 V HA 0.510 4.630 4.120 -0.000 0.000 0.278 355 V C -1.896 174.095 176.094 -0.173 0.000 1.018 355 V CA -0.989 61.194 62.300 -0.193 0.000 0.814 355 V CB 1.501 33.188 31.823 -0.226 0.000 1.021 355 V HN 0.658 nan 8.190 nan 0.000 0.440 356 P HA 0.398 nan 4.420 nan 0.000 0.276 356 P C -0.665 176.648 177.300 0.021 0.000 1.230 356 P CA -0.002 63.050 63.100 -0.080 0.000 0.776 356 P CB 1.428 33.075 31.700 -0.089 0.000 0.888 357 A N 4.238 127.125 122.820 0.113 0.000 2.355 357 A HA 0.715 5.035 4.320 -0.000 0.000 0.317 357 A C -0.540 177.170 177.584 0.210 0.000 1.094 357 A CA -0.836 51.332 52.037 0.218 0.000 0.764 357 A CB 0.694 19.905 19.000 0.352 0.000 1.230 357 A HN 0.472 nan 8.150 nan 0.000 0.448 358 I N 2.466 123.136 120.570 0.166 0.000 2.382 358 I HA 0.177 4.347 4.170 -0.000 0.000 0.286 358 I C -0.969 175.140 176.117 -0.013 0.000 1.002 358 I CA -0.641 60.722 61.300 0.106 0.000 1.135 358 I CB 1.342 39.416 38.000 0.123 0.000 1.288 358 I HN 0.713 nan 8.210 nan 0.000 0.448 359 Y N 8.676 128.911 120.300 -0.109 0.000 2.569 359 Y HA 0.028 4.578 4.550 -0.000 0.000 0.332 359 Y C 0.131 175.839 175.900 -0.321 0.000 1.120 359 Y CA -0.920 57.069 58.100 -0.186 0.000 1.416 359 Y CB -0.047 38.356 38.460 -0.096 0.000 1.210 359 Y HN 0.464 nan 8.280 nan 0.000 0.528 360 Y N 4.462 124.289 120.300 -0.787 0.000 2.895 360 Y HA 0.280 4.830 4.550 -0.000 0.000 0.334 360 Y C 1.067 176.780 175.900 -0.311 0.000 1.261 360 Y CA -0.060 57.646 58.100 -0.657 0.000 1.560 360 Y CB -0.057 38.141 38.460 -0.437 0.000 1.253 360 Y HN 0.914 nan 8.280 nan 0.000 0.582 361 G N 2.276 111.050 108.800 -0.043 0.000 2.213 361 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.236 361 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.236 361 G C 0.886 175.732 174.900 -0.090 0.000 0.991 361 G CA 0.343 45.390 45.100 -0.087 0.000 0.629 361 G HN 0.833 nan 8.290 nan 0.000 0.517 362 T N 1.868 116.358 114.554 -0.107 0.000 2.665 362 T HA -0.163 4.187 4.350 -0.000 0.000 0.268 362 T C 2.138 176.732 174.700 -0.176 0.000 1.035 362 T CA 2.060 64.112 62.100 -0.080 0.000 1.151 362 T CB -0.312 68.536 68.868 -0.032 0.000 0.862 362 T HN 0.800 nan 8.240 nan 0.000 0.438 363 E N 1.132 121.286 120.200 -0.077 0.000 2.463 363 E HA -0.165 4.185 4.350 -0.000 0.000 0.201 363 E C 1.297 177.782 176.600 -0.192 0.000 1.045 363 E CA 0.885 57.209 56.400 -0.127 0.000 0.872 363 E CB -0.171 29.592 29.700 0.106 0.000 0.797 363 E HN 0.446 nan 8.360 nan 0.000 0.538 364 Q N -0.263 119.470 119.800 -0.111 0.000 2.219 364 Q HA 0.061 4.401 4.340 -0.000 0.000 0.209 364 Q C -0.448 175.590 176.000 0.063 0.000 0.854 364 Q CA -0.349 55.454 55.803 0.000 0.000 0.960 364 Q CB -0.170 28.613 28.738 0.075 0.000 1.116 364 Q HN 0.350 nan 8.270 nan 0.000 0.500 365 Y N -0.918 119.380 120.300 -0.004 0.000 3.389 365 Y HA -0.270 4.280 4.550 -0.000 0.000 0.213 365 Y C 0.267 176.209 175.900 0.070 0.000 1.272 365 Y CA 0.201 58.264 58.100 -0.062 0.000 1.444 365 Y CB -2.631 35.712 38.460 -0.195 0.000 1.445 365 Y HN 0.190 nan 8.280 nan 0.000 0.583 366 M N 0.262 119.949 119.600 0.145 0.000 2.239 366 M HA 0.242 4.722 4.480 -0.000 0.000 0.348 366 M C 0.685 177.094 176.300 0.182 0.000 1.239 366 M CA 0.702 56.071 55.300 0.115 0.000 1.114 366 M CB 0.626 33.213 32.600 -0.021 0.000 1.641 366 M HN 0.263 nan 8.290 nan 0.000 0.453 367 S N 0.908 116.701 115.700 0.156 0.000 2.718 367 S HA 0.949 5.419 4.470 -0.000 0.000 0.300 367 S C -0.049 174.592 174.600 0.068 0.000 1.117 367 S CA -0.724 57.549 58.200 0.123 0.000 1.002 367 S CB 2.091 65.337 63.200 0.077 0.000 1.092 367 S HN 0.960 nan 8.310 nan 0.000 0.542 368 G N -0.501 108.329 108.800 0.050 0.000 2.308 368 G HA2 0.461 4.421 3.960 -0.000 0.000 0.288 368 G HA3 0.461 4.421 3.960 -0.000 0.000 0.288 368 G C -0.241 174.679 174.900 0.032 0.000 1.722 368 G CA -0.372 44.749 45.100 0.035 0.000 0.924 368 G HN 0.879 nan 8.290 nan 0.000 0.732 369 G N -0.077 108.733 108.800 0.016 0.000 2.529 369 G HA2 0.669 4.629 3.960 -0.000 0.000 0.234 369 G HA3 0.669 4.629 3.960 -0.000 0.000 0.234 369 G C 0.982 175.890 174.900 0.013 0.000 1.527 369 G CA 0.817 45.923 45.100 0.010 0.000 1.062 369 G HN 1.648 nan 8.290 nan 0.000 0.558 370 T N -1.742 112.813 114.554 0.002 0.000 2.754 370 T HA 0.308 4.658 4.350 -0.000 0.000 0.286 370 T C 0.122 174.818 174.700 -0.008 0.000 0.997 370 T CA -0.056 62.040 62.100 -0.006 0.000 0.982 370 T CB 0.914 69.768 68.868 -0.022 0.000 1.027 370 T HN 0.470 nan 8.240 nan 0.000 0.529 371 D N 1.813 122.205 120.400 -0.014 0.000 2.586 371 D HA 0.044 4.684 4.640 -0.000 0.000 0.234 371 D C -1.303 174.996 176.300 -0.001 0.000 1.132 371 D CA -1.279 52.722 54.000 0.002 0.000 0.860 371 D CB 0.540 41.333 40.800 -0.012 0.000 1.159 371 D HN 0.375 nan 8.370 nan 0.000 0.490 372 P HA 0.172 nan 4.420 nan 0.000 0.263 372 P C 0.029 177.336 177.300 0.012 0.000 1.448 372 P CA -0.210 62.913 63.100 0.038 0.000 0.983 372 P CB 0.555 32.279 31.700 0.041 0.000 1.481 373 D N 1.383 121.787 120.400 0.007 0.000 2.263 373 D HA -0.110 4.530 4.640 -0.000 0.000 0.208 373 D C 1.163 177.475 176.300 0.019 0.000 0.971 373 D CA 1.010 55.014 54.000 0.007 0.000 0.867 373 D CB -0.257 40.546 40.800 0.004 0.000 0.929 373 D HN 0.357 nan 8.370 nan 0.000 0.492 374 N N 0.025 118.745 118.700 0.033 0.000 2.383 374 N HA -0.025 4.715 4.740 -0.000 0.000 0.192 374 N C 0.481 176.046 175.510 0.092 0.000 1.141 374 N CA 0.080 53.177 53.050 0.077 0.000 0.851 374 N CB 0.012 38.550 38.487 0.085 0.000 0.976 374 N HN -0.049 nan 8.380 nan 0.000 0.465 375 R N 0.106 120.621 120.500 0.024 0.000 2.767 375 R HA 0.469 4.809 4.340 -0.000 0.000 0.377 375 R C -0.142 176.195 176.300 0.062 0.000 1.151 375 R CA -0.234 55.866 56.100 0.001 0.000 1.046 375 R CB 0.654 30.866 30.300 -0.147 0.000 1.404 375 R HN 0.222 nan 8.270 nan 0.000 0.580 376 A N 0.557 123.415 122.820 0.062 0.000 2.280 376 A HA 0.345 4.665 4.320 -0.000 0.000 0.268 376 A C -0.090 177.579 177.584 0.140 0.000 1.111 376 A CA -0.458 51.610 52.037 0.053 0.000 0.814 376 A CB 0.341 19.351 19.000 0.016 0.000 1.093 376 A HN 0.391 nan 8.150 nan 0.000 0.498 377 R N 0.186 120.729 120.500 0.072 0.000 2.491 377 R HA 0.245 4.585 4.340 -0.000 0.000 0.283 377 R C -0.138 176.200 176.300 0.064 0.000 1.072 377 R CA -0.248 55.897 56.100 0.075 0.000 1.048 377 R CB 0.161 30.459 30.300 -0.003 0.000 0.983 377 R HN 0.687 nan 8.270 nan 0.000 0.450 378 I N 7.471 128.098 120.570 0.095 0.000 2.581 378 I HA 0.069 4.239 4.170 -0.000 0.000 0.285 378 I C -1.532 174.431 176.117 -0.258 0.000 1.129 378 I CA -1.582 59.704 61.300 -0.024 0.000 1.397 378 I CB 1.186 39.214 38.000 0.048 0.000 1.399 378 I HN 0.671 nan 8.210 nan 0.000 0.537 379 P HA 0.011 nan 4.420 nan 0.000 0.236 379 P C -0.326 176.791 177.300 -0.305 0.000 1.177 379 P CA 0.527 63.506 63.100 -0.203 0.000 0.773 379 P CB 0.068 31.710 31.700 -0.096 0.000 0.878 380 S N -1.395 114.028 115.700 -0.462 0.000 2.586 380 S HA 0.425 4.894 4.470 -0.000 0.000 0.277 380 S C -1.453 172.790 174.600 -0.596 0.000 1.131 380 S CA -0.760 57.154 58.200 -0.478 0.000 0.848 380 S CB -0.181 62.908 63.200 -0.185 0.000 1.091 380 S HN -0.206 nan 8.310 nan 0.000 0.453 381 F N 2.287 122.090 119.950 -0.244 0.000 2.848 381 F HA 0.512 5.039 4.527 0.000 0.000 0.321 381 F C 1.029 176.784 175.800 -0.074 0.000 1.281 381 F CA -0.512 57.231 58.000 -0.428 0.000 1.209 381 F CB 0.798 39.408 39.000 -0.651 0.000 1.152 381 F HN 0.636 nan 8.300 nan 0.000 0.521 382 S N 0.149 115.928 115.700 0.132 0.000 2.525 382 S HA 0.295 4.765 4.470 -0.000 0.000 0.278 382 S C 1.139 175.675 174.600 -0.107 0.000 1.234 382 S CA -0.088 58.134 58.200 0.037 0.000 1.058 382 S CB 0.818 64.028 63.200 0.017 0.000 0.983 382 S HN 0.491 nan 8.310 nan 0.000 0.495 383 T N 1.365 115.715 114.554 -0.340 0.000 3.105 383 T HA 0.206 4.556 4.350 -0.000 0.000 0.253 383 T C 1.169 175.621 174.700 -0.414 0.000 1.047 383 T CA -0.002 61.506 62.100 -0.987 0.000 0.944 383 T CB -0.054 68.318 68.868 -0.825 0.000 1.016 383 T HN 0.409 nan 8.240 nan 0.000 0.544 384 S N 2.018 117.628 115.700 -0.151 0.000 2.528 384 S HA 0.106 4.576 4.470 -0.000 0.000 0.219 384 S C 1.317 175.956 174.600 0.064 0.000 0.985 384 S CA 0.385 58.576 58.200 -0.016 0.000 0.914 384 S CB -0.190 63.009 63.200 -0.002 0.000 0.776 384 S HN 0.909 nan 8.310 nan 0.000 0.526 385 T N -0.179 114.439 114.554 0.106 0.000 2.813 385 T HA 0.129 4.479 4.350 -0.000 0.000 0.297 385 T C 1.355 176.179 174.700 0.206 0.000 1.036 385 T CA -0.030 62.194 62.100 0.207 0.000 1.044 385 T CB 0.731 69.755 68.868 0.260 0.000 0.993 385 T HN 0.004 nan 8.240 nan 0.000 0.535 386 T N 1.864 116.562 114.554 0.240 0.000 2.737 386 T HA -0.009 4.341 4.350 -0.000 0.000 0.265 386 T C 2.441 177.219 174.700 0.129 0.000 1.038 386 T CA 1.386 63.594 62.100 0.179 0.000 1.144 386 T CB -0.911 68.068 68.868 0.185 0.000 0.866 386 T HN 0.821 nan 8.240 nan 0.000 0.434 387 A N 0.620 123.490 122.820 0.085 0.000 1.917 387 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 387 A C 2.072 179.629 177.584 -0.045 0.000 1.182 387 A CA 1.863 53.845 52.037 -0.093 0.000 0.633 387 A CB -1.170 17.571 19.000 -0.432 0.000 0.819 387 A HN 0.606 nan 8.150 nan 0.000 0.448 388 Y N 0.549 120.795 120.300 -0.089 0.000 2.097 388 Y HA -0.302 4.248 4.550 -0.000 0.000 0.282 388 Y C 2.641 178.503 175.900 -0.063 0.000 1.152 388 Y CA 2.508 60.566 58.100 -0.071 0.000 1.136 388 Y CB -0.383 38.055 38.460 -0.037 0.000 0.975 388 Y HN 0.452 nan 8.280 nan 0.000 0.498 389 Q N -0.934 118.959 119.800 0.155 0.000 2.124 389 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 389 Q C 2.314 178.293 176.000 -0.034 0.000 0.977 389 Q CA 1.850 57.694 55.803 0.068 0.000 0.850 389 Q CB -0.324 28.473 28.738 0.099 0.000 0.901 389 Q HN 0.408 nan 8.270 nan 0.000 0.429 390 V N 1.087 120.976 119.914 -0.041 0.000 2.261 390 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 390 V C 2.154 178.179 176.094 -0.116 0.000 1.047 390 V CA 1.716 63.975 62.300 -0.069 0.000 1.015 390 V CB -0.473 31.312 31.823 -0.063 0.000 0.642 390 V HN 0.315 nan 8.190 nan 0.000 0.446 391 I N -0.025 120.448 120.570 -0.160 0.000 2.264 391 I HA -0.329 3.841 4.170 -0.000 0.000 0.248 391 I C 2.669 178.653 176.117 -0.221 0.000 1.111 391 I CA 1.954 63.137 61.300 -0.195 0.000 1.382 391 I CB -0.426 37.428 38.000 -0.243 0.000 1.060 391 I HN 0.411 nan 8.210 nan 0.000 0.418 392 Q N 1.158 120.799 119.800 -0.266 0.000 2.170 392 Q HA -0.220 4.120 4.340 -0.000 0.000 0.203 392 Q C 1.878 177.793 176.000 -0.141 0.000 0.976 392 Q CA 1.398 57.061 55.803 -0.233 0.000 0.858 392 Q CB 0.143 28.742 28.738 -0.233 0.000 0.907 392 Q HN 0.420 nan 8.270 nan 0.000 0.433 393 K N -0.245 120.086 120.400 -0.115 0.000 2.314 393 K HA 0.072 4.392 4.320 -0.000 0.000 0.198 393 K C 1.922 178.462 176.600 -0.100 0.000 1.045 393 K CA 0.361 56.594 56.287 -0.090 0.000 0.988 393 K CB 0.420 32.877 32.500 -0.072 0.000 0.783 393 K HN 0.307 nan 8.250 nan 0.000 0.484 394 L N -0.015 121.140 121.223 -0.113 0.000 2.286 394 L HA 0.117 4.457 4.340 -0.000 0.000 0.203 394 L C 2.482 179.280 176.870 -0.120 0.000 1.068 394 L CA 0.428 55.199 54.840 -0.114 0.000 0.811 394 L CB -0.469 41.524 42.059 -0.110 0.000 0.989 394 L HN -0.017 nan 8.230 nan 0.000 0.467 395 A N 1.475 124.218 122.820 -0.129 0.000 1.884 395 A HA -0.185 4.134 4.320 -0.000 0.000 0.219 395 A C -0.217 177.288 177.584 -0.133 0.000 1.197 395 A CA 2.176 54.135 52.037 -0.131 0.000 0.637 395 A CB -2.040 16.876 19.000 -0.140 0.000 0.827 395 A HN 0.276 nan 8.150 nan 0.000 0.450 396 P HA -0.124 nan 4.420 nan 0.000 0.221 396 P C 1.292 178.518 177.300 -0.122 0.000 1.145 396 P CA 0.828 63.856 63.100 -0.119 0.000 0.795 396 P CB -0.251 31.387 31.700 -0.103 0.000 0.775 397 L N -0.965 120.186 121.223 -0.120 0.000 2.191 397 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 397 L C 2.538 179.318 176.870 -0.151 0.000 1.103 397 L CA 1.249 56.016 54.840 -0.121 0.000 0.769 397 L CB -0.708 41.285 42.059 -0.111 0.000 0.908 397 L HN -0.040 nan 8.230 nan 0.000 0.438 398 R N 0.076 120.473 120.500 -0.172 0.000 2.189 398 R HA -0.095 4.245 4.340 -0.000 0.000 0.223 398 R C 1.990 178.139 176.300 -0.253 0.000 1.092 398 R CA 0.720 56.685 56.100 -0.225 0.000 0.989 398 R CB -0.041 30.124 30.300 -0.226 0.000 0.876 398 R HN 0.352 nan 8.270 nan 0.000 0.457 399 K N -0.089 120.190 120.400 -0.201 0.000 2.242 399 K HA 0.014 4.334 4.320 -0.000 0.000 0.200 399 K C 2.037 178.540 176.600 -0.161 0.000 1.050 399 K CA 0.938 57.110 56.287 -0.191 0.000 0.981 399 K CB 0.434 32.839 32.500 -0.159 0.000 0.795 399 K HN 0.322 nan 8.250 nan 0.000 0.477 400 C N 0.009 119.225 119.300 -0.140 0.000 2.912 400 C HA 0.305 4.765 4.460 -0.000 0.000 0.274 400 C C 0.615 175.542 174.990 -0.106 0.000 1.248 400 C CA -0.649 58.301 59.018 -0.112 0.000 1.694 400 C CB -0.746 26.939 27.740 -0.092 0.000 2.024 400 C HN 0.119 nan 8.230 nan 0.000 0.605 401 N N 1.634 120.259 118.700 -0.124 0.000 2.617 401 N HA 0.337 5.077 4.740 -0.000 0.000 0.263 401 N C -2.151 173.274 175.510 -0.142 0.000 1.074 401 N CA -1.728 51.262 53.050 -0.100 0.000 0.841 401 N CB 1.639 40.078 38.487 -0.081 0.000 1.221 401 N HN 0.042 nan 8.380 nan 0.000 0.529 402 P HA -0.079 nan 4.420 nan 0.000 0.221 402 P C 1.028 178.213 177.300 -0.191 0.000 1.145 402 P CA 0.744 63.692 63.100 -0.253 0.000 0.795 402 P CB 0.285 31.901 31.700 -0.141 0.000 0.775 403 A N -0.198 122.632 122.820 0.018 0.000 1.908 403 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 403 A C 2.259 179.838 177.584 -0.009 0.000 1.181 403 A CA 1.505 53.602 52.037 0.100 0.000 0.627 403 A CB -1.556 17.512 19.000 0.113 0.000 0.818 403 A HN 0.163 nan 8.150 nan 0.000 0.445 404 I N -0.708 119.805 120.570 -0.095 0.000 2.286 404 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 404 I C 2.920 178.902 176.117 -0.224 0.000 1.104 404 I CA 1.028 62.249 61.300 -0.130 0.000 1.397 404 I CB -0.208 37.712 38.000 -0.133 0.000 1.072 404 I HN 0.356 nan 8.210 nan 0.000 0.417 405 A N -0.312 122.268 122.820 -0.401 0.000 1.929 405 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 405 A C 1.610 178.813 177.584 -0.636 0.000 1.176 405 A CA 1.566 53.206 52.037 -0.661 0.000 0.628 405 A CB -0.387 17.957 19.000 -1.093 0.000 0.816 405 A HN 0.501 nan 8.150 nan 0.000 0.444 406 Y N -1.244 118.890 120.300 -0.277 0.000 2.448 406 Y HA 0.341 4.891 4.550 -0.000 0.000 0.257 406 Y C 1.551 177.468 175.900 0.029 0.000 1.089 406 Y CA -0.883 57.084 58.100 -0.223 0.000 1.245 406 Y CB -0.532 37.507 38.460 -0.702 0.000 1.282 406 Y HN 0.224 nan 8.280 nan 0.000 0.529 407 G N 1.118 110.046 108.800 0.214 0.000 2.594 407 G HA2 0.330 4.290 3.960 -0.000 0.000 0.243 407 G HA3 0.330 4.290 3.960 -0.000 0.000 0.243 407 G C 0.328 175.352 174.900 0.208 0.000 1.229 407 G CA -0.066 45.217 45.100 0.304 0.000 0.843 407 G HN 0.233 nan 8.290 nan 0.000 0.578 408 S N -0.436 115.383 115.700 0.198 0.000 2.596 408 S HA 0.512 4.982 4.470 -0.000 0.000 0.260 408 S C 0.133 174.815 174.600 0.137 0.000 1.336 408 S CA -0.352 57.934 58.200 0.144 0.000 0.993 408 S CB 1.206 64.479 63.200 0.121 0.000 0.923 408 S HN 0.621 nan 8.310 nan 0.000 0.567 409 T N 1.499 116.125 114.554 0.121 0.000 2.841 409 T HA 0.551 4.901 4.350 -0.000 0.000 0.283 409 T C -0.895 173.888 174.700 0.138 0.000 1.000 409 T CA -0.602 61.582 62.100 0.140 0.000 0.977 409 T CB 1.413 70.339 68.868 0.096 0.000 0.979 409 T HN 0.655 nan 8.240 nan 0.000 0.446 410 Q N 1.791 121.699 119.800 0.180 0.000 2.271 410 Q HA 0.189 4.529 4.340 -0.000 0.000 0.268 410 Q C -1.148 174.971 176.000 0.199 0.000 1.021 410 Q CA -0.613 55.285 55.803 0.157 0.000 0.802 410 Q CB 1.992 30.809 28.738 0.131 0.000 1.282 410 Q HN 0.652 nan 8.270 nan 0.000 0.431 411 E N 3.922 124.221 120.200 0.166 0.000 2.351 411 E HA -0.001 4.349 4.350 -0.000 0.000 0.266 411 E C -0.049 176.656 176.600 0.174 0.000 1.031 411 E CA 0.377 56.885 56.400 0.180 0.000 0.911 411 E CB 0.540 30.308 29.700 0.113 0.000 0.986 411 E HN 0.616 nan 8.360 nan 0.000 0.446 412 R N 3.520 124.156 120.500 0.228 0.000 2.250 412 R HA 0.114 4.454 4.340 -0.000 0.000 0.194 412 R C 0.284 176.767 176.300 0.305 0.000 0.927 412 R CA 0.063 56.299 56.100 0.226 0.000 1.052 412 R CB 0.556 30.985 30.300 0.214 0.000 1.055 412 R HN 0.475 nan 8.270 nan 0.000 0.537 413 W N 0.732 122.091 121.300 0.098 0.000 3.274 413 W HA 0.633 5.293 4.660 -0.000 0.000 0.327 413 W C -1.565 174.978 176.519 0.040 0.000 1.172 413 W CA -0.660 56.727 57.345 0.070 0.000 1.217 413 W CB 1.496 31.003 29.460 0.077 0.000 1.376 413 W HN -0.119 nan 8.180 nan 0.000 0.507 414 I N 6.034 126.499 120.570 -0.175 0.000 2.842 414 I HA 0.457 4.627 4.170 -0.000 0.000 0.297 414 I C -1.488 174.394 176.117 -0.392 0.000 1.380 414 I CA -0.476 60.720 61.300 -0.173 0.000 1.018 414 I CB 1.615 39.471 38.000 -0.241 0.000 1.311 414 I HN 0.642 nan 8.210 nan 0.000 0.439 415 N N 3.505 122.058 118.700 -0.246 0.000 3.344 415 N HA 0.332 5.072 4.740 -0.000 0.000 0.296 415 N C -0.565 174.842 175.510 -0.172 0.000 1.571 415 N CA -0.604 52.376 53.050 -0.116 0.000 0.844 415 N CB 0.407 38.926 38.487 0.053 0.000 1.718 415 N HN 0.633 nan 8.380 nan 0.000 0.589 416 N N -1.053 117.706 118.700 0.099 0.000 2.149 416 N HA -0.110 4.630 4.740 -0.000 0.000 0.188 416 N C -0.269 175.217 175.510 -0.041 0.000 1.019 416 N CA 1.379 54.481 53.050 0.087 0.000 0.857 416 N CB -0.038 38.515 38.487 0.110 0.000 0.997 416 N HN 0.497 nan 8.380 nan 0.000 0.426 417 D N -0.340 120.053 120.400 -0.013 0.000 2.454 417 D HA 0.116 4.756 4.640 -0.000 0.000 0.214 417 D C -0.141 176.155 176.300 -0.006 0.000 1.088 417 D CA 0.254 54.237 54.000 -0.027 0.000 0.855 417 D CB 1.074 41.885 40.800 0.018 0.000 1.025 417 D HN -0.062 nan 8.370 nan 0.000 0.502 418 V N 1.722 121.670 119.914 0.055 0.000 2.581 418 V HA 0.486 4.606 4.120 -0.000 0.000 0.303 418 V C -0.556 175.621 176.094 0.138 0.000 1.041 418 V CA -0.876 61.506 62.300 0.136 0.000 0.907 418 V CB 2.527 34.507 31.823 0.261 0.000 0.994 418 V HN -0.067 nan 8.190 nan 0.000 0.442 419 L N 5.718 127.054 121.223 0.188 0.000 2.476 419 L HA 0.649 4.989 4.340 -0.000 0.000 0.269 419 L C -1.052 176.036 176.870 0.363 0.000 0.965 419 L CA 0.072 55.057 54.840 0.241 0.000 0.845 419 L CB 1.533 43.695 42.059 0.172 0.000 1.259 419 L HN 0.571 nan 8.230 nan 0.000 0.403 420 I N 6.043 126.845 120.570 0.386 0.000 2.389 420 I HA 0.436 4.606 4.170 -0.000 0.000 0.288 420 I C -1.146 175.199 176.117 0.379 0.000 0.999 420 I CA -0.794 60.713 61.300 0.346 0.000 1.129 420 I CB 1.245 39.450 38.000 0.343 0.000 1.288 420 I HN 0.648 nan 8.210 nan 0.000 0.444 421 Y N 2.717 123.137 120.300 0.199 0.000 2.545 421 Y HA 0.705 5.255 4.550 -0.000 0.000 0.348 421 Y C -0.879 175.100 175.900 0.132 0.000 1.002 421 Y CA -1.329 56.867 58.100 0.162 0.000 1.039 421 Y CB 1.234 39.789 38.460 0.160 0.000 1.271 421 Y HN 0.508 nan 8.280 nan 0.000 0.467 422 E N 2.607 122.955 120.200 0.245 0.000 2.183 422 E HA 0.506 4.856 4.350 -0.000 0.000 0.271 422 E C -1.037 175.674 176.600 0.186 0.000 0.919 422 E CA -1.132 55.356 56.400 0.147 0.000 0.781 422 E CB 0.939 30.715 29.700 0.126 0.000 1.140 422 E HN 0.601 nan 8.360 nan 0.000 0.402 423 R N 3.311 123.890 120.500 0.132 0.000 2.514 423 R HA 0.475 4.815 4.340 -0.000 0.000 0.301 423 R C -0.800 175.577 176.300 0.129 0.000 0.962 423 R CA -0.695 55.488 56.100 0.138 0.000 0.882 423 R CB 1.594 31.959 30.300 0.108 0.000 1.143 423 R HN 0.440 nan 8.270 nan 0.000 0.452 424 K N 2.009 122.505 120.400 0.159 0.000 2.513 424 K HA 0.458 4.778 4.320 -0.000 0.000 0.251 424 K C -1.882 174.879 176.600 0.268 0.000 0.939 424 K CA -0.569 55.822 56.287 0.174 0.000 0.793 424 K CB 1.551 34.127 32.500 0.125 0.000 1.241 424 K HN 0.448 nan 8.250 nan 0.000 0.431 425 F N 3.865 123.861 119.950 0.077 0.000 2.915 425 F HA 0.424 4.951 4.527 -0.000 0.000 0.350 425 F C 0.236 176.073 175.800 0.062 0.000 1.248 425 F CA 0.649 58.698 58.000 0.083 0.000 1.084 425 F CB 1.074 40.150 39.000 0.127 0.000 1.391 425 F HN 0.790 nan 8.300 nan 0.000 0.548 426 G N 3.383 112.022 108.800 -0.269 0.000 2.556 426 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.283 426 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.283 426 G C 0.479 175.384 174.900 0.008 0.000 1.177 426 G CA 0.124 45.111 45.100 -0.189 0.000 0.978 426 G HN 0.903 nan 8.290 nan 0.000 0.554 427 S N 2.563 118.298 115.700 0.059 0.000 2.685 427 S HA 0.284 4.754 4.470 -0.000 0.000 0.240 427 S C 0.275 174.973 174.600 0.164 0.000 0.967 427 S CA -0.071 58.208 58.200 0.131 0.000 1.009 427 S CB -0.444 62.822 63.200 0.110 0.000 0.776 427 S HN 0.522 nan 8.310 nan 0.000 0.467 428 N N 1.171 119.969 118.700 0.164 0.000 2.284 428 N HA 0.518 5.258 4.740 -0.000 0.000 0.300 428 N C -1.154 174.462 175.510 0.177 0.000 1.047 428 N CA -0.340 52.803 53.050 0.154 0.000 0.821 428 N CB 2.367 40.929 38.487 0.125 0.000 1.337 428 N HN -0.075 nan 8.380 nan 0.000 0.482 429 V N 0.127 120.148 119.914 0.178 0.000 2.925 429 V HA 0.857 4.977 4.120 -0.000 0.000 0.311 429 V C -0.658 175.484 176.094 0.081 0.000 1.104 429 V CA -0.902 61.478 62.300 0.132 0.000 0.954 429 V CB 1.881 33.779 31.823 0.124 0.000 1.022 429 V HN 0.844 nan 8.190 nan 0.000 0.427 430 A N 2.708 125.554 122.820 0.044 0.000 2.398 430 A HA 0.883 5.202 4.320 -0.000 0.000 0.301 430 A C -1.348 176.217 177.584 -0.031 0.000 1.041 430 A CA -0.538 51.495 52.037 -0.005 0.000 0.711 430 A CB 1.916 20.894 19.000 -0.037 0.000 1.240 430 A HN 0.767 nan 8.150 nan 0.000 0.420 431 V N 2.759 122.649 119.914 -0.038 0.000 2.444 431 V HA 0.534 4.654 4.120 -0.000 0.000 0.294 431 V C -0.542 175.442 176.094 -0.184 0.000 1.022 431 V CA -0.537 61.750 62.300 -0.022 0.000 0.850 431 V CB 1.542 33.455 31.823 0.151 0.000 0.992 431 V HN 0.681 nan 8.190 nan 0.000 0.426 432 V N 3.936 123.598 119.914 -0.420 0.000 2.487 432 V HA 0.829 4.949 4.120 -0.000 0.000 0.298 432 V C 0.264 176.137 176.094 -0.368 0.000 1.028 432 V CA -0.503 61.449 62.300 -0.580 0.000 0.860 432 V CB 1.768 33.061 31.823 -0.883 0.000 0.991 432 V HN 0.975 nan 8.190 nan 0.000 0.427 433 A N 4.800 127.471 122.820 -0.248 0.000 2.330 433 A HA 0.911 5.231 4.320 -0.000 0.000 0.327 433 A C -0.867 176.753 177.584 0.059 0.000 1.155 433 A CA -0.542 51.502 52.037 0.013 0.000 0.803 433 A CB 1.528 20.627 19.000 0.165 0.000 1.208 433 A HN 0.712 nan 8.150 nan 0.000 0.477 434 V N 2.559 122.584 119.914 0.184 0.000 2.638 434 V HA 0.405 4.525 4.120 -0.000 0.000 0.306 434 V C -0.642 175.562 176.094 0.183 0.000 1.052 434 V CA -0.791 61.639 62.300 0.217 0.000 0.885 434 V CB 1.962 34.008 31.823 0.371 0.000 0.999 434 V HN 0.903 nan 8.190 nan 0.000 0.424 435 N N 3.175 121.969 118.700 0.156 0.000 2.626 435 N HA 0.280 5.020 4.740 -0.000 0.000 0.242 435 N C 1.087 176.672 175.510 0.124 0.000 1.005 435 N CA -0.834 52.286 53.050 0.117 0.000 0.905 435 N CB 1.159 39.700 38.487 0.090 0.000 1.128 435 N HN 0.638 nan 8.380 nan 0.000 0.512 436 R N 1.983 122.537 120.500 0.090 0.000 2.159 436 R HA -0.028 4.312 4.340 -0.000 0.000 0.237 436 R C 0.485 176.829 176.300 0.073 0.000 1.131 436 R CA 0.757 56.908 56.100 0.085 0.000 0.982 436 R CB -0.550 29.703 30.300 -0.079 0.000 0.868 436 R HN 0.308 nan 8.270 nan 0.000 0.453 437 N N 1.369 120.099 118.700 0.050 0.000 2.418 437 N HA -0.072 4.668 4.740 -0.000 0.000 0.277 437 N C -0.029 175.516 175.510 0.059 0.000 1.317 437 N CA 0.128 53.206 53.050 0.047 0.000 0.922 437 N CB 0.634 39.145 38.487 0.041 0.000 1.194 437 N HN 0.157 nan 8.380 nan 0.000 0.485 438 L N 3.800 125.060 121.223 0.060 0.000 2.552 438 L HA 0.063 4.403 4.340 -0.000 0.000 0.227 438 L C 0.985 177.884 176.870 0.049 0.000 1.146 438 L CA 1.052 55.930 54.840 0.063 0.000 0.858 438 L CB -0.205 41.895 42.059 0.069 0.000 0.969 438 L HN 0.566 nan 8.230 nan 0.000 0.451 439 N N -1.424 117.300 118.700 0.041 0.000 2.210 439 N HA 0.338 5.078 4.740 -0.000 0.000 0.203 439 N C 0.118 175.647 175.510 0.032 0.000 1.175 439 N CA 0.291 53.361 53.050 0.034 0.000 0.894 439 N CB 0.861 39.365 38.487 0.028 0.000 1.041 439 N HN 0.126 nan 8.380 nan 0.000 0.506 440 A N 1.427 124.268 122.820 0.035 0.000 2.356 440 A HA 0.609 4.929 4.320 -0.000 0.000 0.310 440 A C -2.696 174.909 177.584 0.034 0.000 1.075 440 A CA -1.512 50.545 52.037 0.033 0.000 0.746 440 A CB 1.343 20.363 19.000 0.032 0.000 1.221 440 A HN -0.145 nan 8.150 nan 0.000 0.443 441 P HA 0.554 nan 4.420 nan 0.000 0.276 441 P C -0.517 176.789 177.300 0.010 0.000 1.252 441 P CA -0.250 62.864 63.100 0.024 0.000 0.802 441 P CB 1.430 33.144 31.700 0.022 0.000 1.035 442 A N 0.589 123.397 122.820 -0.019 0.000 2.386 442 A HA 0.540 4.860 4.320 -0.000 0.000 0.311 442 A C -0.280 177.211 177.584 -0.156 0.000 1.068 442 A CA -0.560 51.444 52.037 -0.054 0.000 0.743 442 A CB 0.872 19.840 19.000 -0.054 0.000 1.258 442 A HN 0.349 nan 8.150 nan 0.000 0.429 443 S N 1.536 117.160 115.700 -0.128 0.000 2.399 443 S HA 0.414 4.883 4.470 -0.000 0.000 0.301 443 S C -0.303 174.095 174.600 -0.337 0.000 1.093 443 S CA -0.102 57.986 58.200 -0.188 0.000 1.077 443 S CB -0.578 62.581 63.200 -0.068 0.000 0.980 443 S HN 0.464 nan 8.310 nan 0.000 0.494 444 I N 4.479 124.643 120.570 -0.676 0.000 2.307 444 I HA 0.286 4.456 4.170 -0.000 0.000 0.289 444 I C 0.102 175.819 176.117 -0.667 0.000 1.021 444 I CA -0.059 60.607 61.300 -1.056 0.000 1.224 444 I CB 0.929 37.914 38.000 -1.693 0.000 1.376 444 I HN 0.523 nan 8.210 nan 0.000 0.470 445 S N 3.229 118.777 115.700 -0.253 0.000 2.541 445 S HA 0.807 5.277 4.470 -0.000 0.000 0.280 445 S C 0.320 175.054 174.600 0.224 0.000 1.112 445 S CA -0.130 58.058 58.200 -0.020 0.000 0.925 445 S CB 2.024 65.239 63.200 0.024 0.000 1.067 445 S HN 1.052 nan 8.310 nan 0.000 0.479 446 G N 0.200 109.105 108.800 0.174 0.000 2.176 446 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.232 446 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.232 446 G C -0.197 174.868 174.900 0.273 0.000 0.986 446 G CA -0.090 45.147 45.100 0.228 0.000 0.643 446 G HN 1.206 nan 8.290 nan 0.000 0.522 447 L N 1.812 123.180 121.223 0.241 0.000 2.477 447 L HA 0.610 4.950 4.340 -0.000 0.000 0.272 447 L C 0.241 177.200 176.870 0.149 0.000 1.157 447 L CA -0.125 54.859 54.840 0.239 0.000 0.889 447 L CB 1.137 43.279 42.059 0.138 0.000 1.158 447 L HN 0.110 nan 8.230 nan 0.000 0.473 448 V N 5.110 125.111 119.914 0.145 0.000 2.604 448 V HA 0.780 4.900 4.120 -0.000 0.000 0.305 448 V C 0.234 176.372 176.094 0.074 0.000 1.043 448 V CA 0.125 62.477 62.300 0.087 0.000 0.888 448 V CB 1.997 33.867 31.823 0.079 0.000 0.995 448 V HN 1.023 nan 8.190 nan 0.000 0.429 449 T N 0.398 114.972 114.554 0.033 0.000 2.696 449 T HA 0.367 4.717 4.350 -0.000 0.000 0.291 449 T C 0.320 175.018 174.700 -0.003 0.000 1.095 449 T CA -0.191 61.920 62.100 0.018 0.000 1.026 449 T CB 1.877 70.730 68.868 -0.026 0.000 1.390 449 T HN 0.312 nan 8.240 nan 0.000 0.513 450 S N -0.064 115.630 115.700 -0.010 0.000 2.557 450 S HA 0.348 4.818 4.470 -0.000 0.000 0.223 450 S C 0.511 175.070 174.600 -0.068 0.000 0.969 450 S CA -0.496 57.692 58.200 -0.019 0.000 0.927 450 S CB -0.605 62.602 63.200 0.012 0.000 0.806 450 S HN 0.470 nan 8.310 nan 0.000 0.489 451 L N 2.656 123.812 121.223 -0.111 0.000 2.417 451 L HA 0.301 4.641 4.340 -0.000 0.000 0.268 451 L C -2.329 174.461 176.870 -0.133 0.000 1.158 451 L CA -2.078 52.651 54.840 -0.185 0.000 0.819 451 L CB 0.062 41.889 42.059 -0.388 0.000 1.112 451 L HN -0.082 nan 8.230 nan 0.000 0.458 452 P HA -0.005 nan 4.420 nan 0.000 0.272 452 P C -0.878 176.426 177.300 0.006 0.000 1.223 452 P CA -0.405 62.589 63.100 -0.177 0.000 0.784 452 P CB 0.418 31.883 31.700 -0.391 0.000 0.923 453 Q N 0.840 120.623 119.800 -0.028 0.000 2.333 453 Q HA 0.344 4.684 4.340 -0.000 0.000 0.299 453 Q C 0.297 176.269 176.000 -0.047 0.000 1.067 453 Q CA 1.080 56.874 55.803 -0.015 0.000 0.943 453 Q CB -0.256 28.462 28.738 -0.034 0.000 1.233 453 Q HN 0.737 nan 8.270 nan 0.000 0.401 454 G N 1.507 110.263 108.800 -0.073 0.000 2.357 454 G HA2 0.063 4.023 3.960 -0.000 0.000 0.289 454 G HA3 0.063 4.023 3.960 -0.000 0.000 0.289 454 G C -1.505 173.234 174.900 -0.268 0.000 1.302 454 G CA -0.500 44.473 45.100 -0.212 0.000 0.936 454 G HN 0.573 nan 8.290 nan 0.000 0.513 455 S N -0.792 114.674 115.700 -0.389 0.000 2.537 455 S HA 0.823 5.293 4.470 -0.000 0.000 0.301 455 S C -1.473 172.830 174.600 -0.495 0.000 1.092 455 S CA -0.327 57.692 58.200 -0.303 0.000 1.048 455 S CB 1.062 64.154 63.200 -0.180 0.000 1.053 455 S HN 0.490 nan 8.310 nan 0.000 0.501 456 Y N 1.648 121.873 120.300 -0.126 0.000 2.391 456 Y HA 0.435 4.985 4.550 -0.000 0.000 0.341 456 Y C 0.187 176.129 175.900 0.070 0.000 0.965 456 Y CA -1.130 56.955 58.100 -0.024 0.000 1.067 456 Y CB 1.222 39.669 38.460 -0.021 0.000 1.199 456 Y HN 0.503 nan 8.280 nan 0.000 0.450 457 N N 1.584 120.439 118.700 0.259 0.000 2.498 457 N HA 0.079 4.819 4.740 -0.000 0.000 0.287 457 N C -0.931 174.764 175.510 0.308 0.000 1.097 457 N CA -0.610 52.575 53.050 0.226 0.000 0.973 457 N CB 0.921 39.473 38.487 0.108 0.000 1.153 457 N HN 0.676 nan 8.380 nan 0.000 0.472 458 D N 0.888 121.429 120.400 0.235 0.000 2.434 458 D HA -0.038 4.602 4.640 -0.000 0.000 0.252 458 D C 1.014 177.297 176.300 -0.028 0.000 1.185 458 D CA -0.035 53.981 54.000 0.026 0.000 0.886 458 D CB 0.708 41.489 40.800 -0.032 0.000 1.148 458 D HN 0.158 nan 8.370 nan 0.000 0.483 459 V N 4.409 124.265 119.914 -0.096 0.000 2.568 459 V HA -0.221 3.899 4.120 -0.000 0.000 0.253 459 V C 2.178 178.226 176.094 -0.076 0.000 1.072 459 V CA 1.325 63.584 62.300 -0.069 0.000 1.084 459 V CB -0.488 31.280 31.823 -0.091 0.000 0.676 459 V HN 0.659 nan 8.190 nan 0.000 0.469 460 L N 0.389 121.549 121.223 -0.106 0.000 2.610 460 L HA 0.192 4.532 4.340 -0.000 0.000 0.232 460 L C 1.732 178.577 176.870 -0.042 0.000 1.149 460 L CA 0.722 55.515 54.840 -0.078 0.000 0.872 460 L CB -0.776 41.225 42.059 -0.096 0.000 0.992 460 L HN 0.538 nan 8.230 nan 0.000 0.447 461 G N 0.295 109.078 108.800 -0.027 0.000 2.283 461 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.280 461 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.280 461 G C 1.015 175.917 174.900 0.002 0.000 1.029 461 G CA 0.437 45.535 45.100 -0.003 0.000 0.840 461 G HN 0.679 nan 8.290 nan 0.000 0.505 462 G N -1.827 106.970 108.800 -0.004 0.000 2.168 462 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.263 462 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.263 462 G C 1.205 176.109 174.900 0.007 0.000 0.977 462 G CA 0.967 46.072 45.100 0.007 0.000 0.659 462 G HN 1.558 nan 8.290 nan 0.000 0.533 463 L N -0.262 120.960 121.223 -0.002 0.000 2.081 463 L HA 0.134 4.474 4.340 -0.000 0.000 0.212 463 L C 1.877 178.754 176.870 0.012 0.000 1.080 463 L CA 2.255 57.099 54.840 0.006 0.000 0.754 463 L CB -0.117 41.942 42.059 -0.001 0.000 0.893 463 L HN 0.437 nan 8.230 nan 0.000 0.433 464 L N -0.219 121.005 121.223 0.001 0.000 3.100 464 L HA 0.297 4.637 4.340 -0.000 0.000 0.259 464 L C 0.099 176.979 176.870 0.016 0.000 1.316 464 L CA -0.306 54.541 54.840 0.012 0.000 0.992 464 L CB -0.507 41.554 42.059 0.002 0.000 1.390 464 L HN 0.243 nan 8.230 nan 0.000 0.550 465 N N -0.191 118.522 118.700 0.022 0.000 2.735 465 N HA -0.172 4.568 4.740 -0.000 0.000 0.248 465 N C 0.619 176.153 175.510 0.041 0.000 1.083 465 N CA 0.811 53.882 53.050 0.036 0.000 0.703 465 N CB -0.910 37.604 38.487 0.046 0.000 1.005 465 N HN 0.659 nan 8.380 nan 0.000 0.550 466 G N -0.234 108.574 108.800 0.014 0.000 2.616 466 G HA2 0.481 4.441 3.960 -0.000 0.000 0.268 466 G HA3 0.481 4.441 3.960 -0.000 0.000 0.268 466 G C 0.286 175.237 174.900 0.084 0.000 1.213 466 G CA -0.220 44.887 45.100 0.013 0.000 0.926 466 G HN 0.396 nan 8.290 nan 0.000 0.523 467 N N -1.558 117.244 118.700 0.170 0.000 3.167 467 N HA 0.398 5.138 4.740 -0.000 0.000 0.323 467 N C -0.704 174.966 175.510 0.267 0.000 1.478 467 N CA -0.578 52.573 53.050 0.167 0.000 0.753 467 N CB 0.863 39.433 38.487 0.138 0.000 1.721 467 N HN 0.352 nan 8.380 nan 0.000 0.618 468 T N 0.351 114.975 114.554 0.117 0.000 2.902 468 T HA 0.523 4.873 4.350 -0.000 0.000 0.280 468 T C -0.376 174.159 174.700 -0.275 0.000 0.992 468 T CA -0.332 61.804 62.100 0.061 0.000 1.015 468 T CB 0.648 69.515 68.868 -0.001 0.000 1.044 468 T HN 0.399 nan 8.240 nan 0.000 0.520 469 L N 0.775 121.705 121.223 -0.488 0.000 2.401 469 L HA 0.655 4.995 4.340 -0.000 0.000 0.266 469 L C -0.824 175.825 176.870 -0.368 0.000 0.991 469 L CA -0.193 54.168 54.840 -0.798 0.000 0.818 469 L CB 2.451 43.435 42.059 -1.791 0.000 1.321 469 L HN 0.536 nan 8.230 nan 0.000 0.413 470 S N 2.621 118.140 115.700 -0.302 0.000 2.530 470 S HA 0.689 5.159 4.470 -0.000 0.000 0.322 470 S C -1.052 173.487 174.600 -0.101 0.000 1.085 470 S CA -0.471 57.643 58.200 -0.143 0.000 1.096 470 S CB 1.387 64.524 63.200 -0.105 0.000 0.988 470 S HN 0.374 nan 8.310 nan 0.000 0.466 471 V N 3.706 123.602 119.914 -0.030 0.000 2.384 471 V HA 0.639 4.759 4.120 -0.000 0.000 0.287 471 V C 0.973 177.062 176.094 -0.008 0.000 1.020 471 V CA -0.506 61.789 62.300 -0.007 0.000 0.850 471 V CB 1.295 33.149 31.823 0.052 0.000 0.987 471 V HN 0.888 nan 8.190 nan 0.000 0.436 472 G N 3.308 112.100 108.800 -0.014 0.000 2.510 472 G HA2 0.490 4.450 3.960 -0.000 0.000 0.280 472 G HA3 0.490 4.450 3.960 -0.000 0.000 0.280 472 G C 0.267 175.159 174.900 -0.012 0.000 1.386 472 G CA -0.073 45.019 45.100 -0.014 0.000 1.047 472 G HN 0.845 nan 8.290 nan 0.000 0.527 473 S N -1.947 113.746 115.700 -0.012 0.000 2.593 473 S HA 0.449 4.919 4.470 -0.000 0.000 0.269 473 S C 1.326 175.921 174.600 -0.008 0.000 1.334 473 S CA 0.555 58.748 58.200 -0.012 0.000 1.015 473 S CB 1.025 64.219 63.200 -0.011 0.000 0.912 473 S HN 2.366 nan 8.310 nan 0.000 0.541 474 G N 0.592 109.386 108.800 -0.009 0.000 2.168 474 G HA2 0.047 4.007 3.960 -0.000 0.000 0.263 474 G HA3 0.047 4.007 3.960 -0.000 0.000 0.263 474 G C 1.193 176.092 174.900 -0.003 0.000 0.977 474 G CA 0.523 45.621 45.100 -0.004 0.000 0.659 474 G HN 2.402 nan 8.290 nan 0.000 0.533 475 G N -1.098 107.696 108.800 -0.011 0.000 2.168 475 G HA2 0.145 4.105 3.960 -0.000 0.000 0.257 475 G HA3 0.145 4.105 3.960 -0.000 0.000 0.257 475 G C 0.707 175.603 174.900 -0.006 0.000 0.997 475 G CA 1.310 46.400 45.100 -0.016 0.000 0.708 475 G HN 2.343 nan 8.290 nan 0.000 0.520 476 A N -0.207 122.615 122.820 0.004 0.000 2.328 476 A HA 0.865 5.185 4.320 -0.000 0.000 0.284 476 A C 0.755 178.342 177.584 0.004 0.000 1.160 476 A CA 0.759 52.806 52.037 0.017 0.000 0.818 476 A CB 0.788 19.805 19.000 0.027 0.000 1.087 476 A HN 2.007 nan 8.150 nan 0.000 0.504 477 A N 2.527 125.353 122.820 0.010 0.000 2.340 477 A HA 0.609 4.929 4.320 -0.000 0.000 0.268 477 A C 0.812 178.419 177.584 0.038 0.000 1.100 477 A CA 0.141 52.172 52.037 -0.010 0.000 0.803 477 A CB 0.055 19.035 19.000 -0.033 0.000 1.043 477 A HN 1.658 nan 8.150 nan 0.000 0.488 478 S N 2.028 117.746 115.700 0.029 0.000 2.632 478 S HA 0.275 4.745 4.470 -0.000 0.000 0.271 478 S C -0.005 174.672 174.600 0.128 0.000 1.260 478 S CA -0.808 57.423 58.200 0.051 0.000 1.010 478 S CB 0.111 63.325 63.200 0.024 0.000 0.965 478 S HN 0.726 nan 8.310 nan 0.000 0.534 479 N N 1.064 119.806 118.700 0.070 0.000 2.293 479 N HA 0.344 5.084 4.740 -0.000 0.000 0.253 479 N C -0.622 174.961 175.510 0.122 0.000 1.248 479 N CA 0.403 53.466 53.050 0.021 0.000 0.845 479 N CB -0.112 38.362 38.487 -0.021 0.000 1.073 479 N HN 0.665 nan 8.380 nan 0.000 0.464 480 F N -2.174 117.717 119.950 -0.099 0.000 2.693 480 F HA 0.472 4.999 4.527 -0.000 0.000 0.309 480 F C -1.052 174.698 175.800 -0.083 0.000 1.129 480 F CA -1.157 56.794 58.000 -0.082 0.000 0.948 480 F CB 0.989 39.936 39.000 -0.089 0.000 1.315 480 F HN 0.064 nan 8.300 nan 0.000 0.447 481 T N 3.619 118.206 114.554 0.056 0.000 2.749 481 T HA 0.495 4.845 4.350 -0.000 0.000 0.287 481 T C -0.974 173.814 174.700 0.146 0.000 0.970 481 T CA -0.292 61.798 62.100 -0.017 0.000 0.980 481 T CB 1.054 69.933 68.868 0.018 0.000 0.924 481 T HN 0.689 nan 8.240 nan 0.000 0.456 482 L N 4.666 125.906 121.223 0.029 0.000 2.261 482 L HA 0.659 4.999 4.340 -0.000 0.000 0.289 482 L C 0.535 177.454 176.870 0.083 0.000 1.059 482 L CA -0.488 54.436 54.840 0.139 0.000 0.816 482 L CB -0.275 41.832 42.059 0.080 0.000 1.191 482 L HN 0.768 nan 8.230 nan 0.000 0.431 483 A N 4.567 127.449 122.820 0.104 0.000 2.547 483 A HA 0.487 4.807 4.320 -0.000 0.000 0.233 483 A C 0.616 178.239 177.584 0.064 0.000 1.067 483 A CA 0.244 52.325 52.037 0.074 0.000 0.763 483 A CB -0.217 18.827 19.000 0.074 0.000 1.007 483 A HN 1.187 nan 8.150 nan 0.000 0.506 484 A N 0.649 123.502 122.820 0.054 0.000 2.511 484 A HA 0.485 4.805 4.320 -0.000 0.000 0.242 484 A C 1.665 179.288 177.584 0.065 0.000 1.069 484 A CA 0.699 52.769 52.037 0.055 0.000 0.763 484 A CB -0.852 18.176 19.000 0.047 0.000 1.001 484 A HN 2.786 nan 8.150 nan 0.000 0.498 485 G N 1.699 110.546 108.800 0.077 0.000 2.180 485 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.263 485 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.263 485 G C 0.829 175.781 174.900 0.086 0.000 0.989 485 G CA 0.792 45.947 45.100 0.092 0.000 0.692 485 G HN 1.939 nan 8.290 nan 0.000 0.526 486 G N -0.747 108.102 108.800 0.082 0.000 2.442 486 G HA2 0.557 4.517 3.960 -0.000 0.000 0.249 486 G HA3 0.557 4.517 3.960 -0.000 0.000 0.249 486 G C -0.123 174.817 174.900 0.067 0.000 1.263 486 G CA 0.822 45.966 45.100 0.074 0.000 0.846 486 G HN 0.707 nan 8.290 nan 0.000 0.555 487 T N 0.359 114.925 114.554 0.020 0.000 2.991 487 T HA 0.657 5.007 4.350 -0.000 0.000 0.303 487 T C -0.327 174.282 174.700 -0.153 0.000 1.015 487 T CA -0.048 62.032 62.100 -0.034 0.000 1.007 487 T CB 1.683 70.543 68.868 -0.014 0.000 1.034 487 T HN 1.086 nan 8.240 nan 0.000 0.446 488 A N 2.497 125.121 122.820 -0.326 0.000 2.515 488 A HA 0.890 5.210 4.320 -0.000 0.000 0.298 488 A C -1.239 175.785 177.584 -0.933 0.000 1.059 488 A CA -0.713 50.930 52.037 -0.657 0.000 0.698 488 A CB 1.599 20.062 19.000 -0.895 0.000 1.289 488 A HN 0.654 nan 8.150 nan 0.000 0.404 489 V N 2.195 121.579 119.914 -0.885 0.000 2.487 489 V HA 0.581 4.701 4.120 -0.000 0.000 0.298 489 V C -0.947 174.701 176.094 -0.743 0.000 1.028 489 V CA -0.522 61.355 62.300 -0.704 0.000 0.860 489 V CB 1.375 32.979 31.823 -0.366 0.000 0.991 489 V HN 0.836 nan 8.190 nan 0.000 0.427 490 W N 3.586 124.814 121.300 -0.121 0.000 2.781 490 W HA 0.779 5.439 4.660 -0.000 0.000 0.345 490 W C -0.250 176.185 176.519 -0.140 0.000 1.085 490 W CA -0.605 56.665 57.345 -0.124 0.000 1.198 490 W CB 2.068 31.400 29.460 -0.214 0.000 1.423 490 W HN 0.719 nan 8.180 nan 0.000 0.532 491 Q N 0.999 120.871 119.800 0.121 0.000 2.633 491 Q HA 0.554 4.894 4.340 -0.000 0.000 0.289 491 Q C -2.449 173.685 176.000 0.223 0.000 0.940 491 Q CA -0.994 54.861 55.803 0.086 0.000 0.785 491 Q CB 3.245 32.017 28.738 0.057 0.000 1.467 491 Q HN 0.443 nan 8.270 nan 0.000 0.401 492 Y N 0.850 121.183 120.300 0.055 0.000 2.362 492 Y HA 0.551 5.101 4.550 -0.000 0.000 0.326 492 Y C -1.697 174.248 175.900 0.074 0.000 1.083 492 Y CA -0.080 58.091 58.100 0.118 0.000 1.073 492 Y CB 2.257 40.810 38.460 0.155 0.000 1.211 492 Y HN 0.907 nan 8.280 nan 0.000 0.433 493 T N 2.509 116.735 114.554 -0.547 0.000 2.912 493 T HA 1.005 5.355 4.350 -0.000 0.000 0.288 493 T C -0.672 173.626 174.700 -0.669 0.000 1.030 493 T CA -0.411 61.418 62.100 -0.451 0.000 1.020 493 T CB 1.863 70.607 68.868 -0.207 0.000 1.056 493 T HN 1.372 nan 8.240 nan 0.000 0.480 494 A N 0.907 123.517 122.820 -0.350 0.000 2.590 494 A HA 0.803 5.123 4.320 -0.000 0.000 0.294 494 A C -0.211 177.328 177.584 -0.075 0.000 1.046 494 A CA -0.687 51.215 52.037 -0.225 0.000 0.684 494 A CB 0.348 19.226 19.000 -0.202 0.000 1.279 494 A HN 1.786 nan 8.150 nan 0.000 0.415 495 A N 0.943 123.739 122.820 -0.040 0.000 2.565 495 A HA 0.504 4.824 4.320 -0.000 0.000 0.237 495 A C 0.545 178.131 177.584 0.004 0.000 1.053 495 A CA 1.190 53.219 52.037 -0.014 0.000 0.755 495 A CB -0.517 18.479 19.000 -0.007 0.000 0.980 495 A HN 1.252 nan 8.150 nan 0.000 0.506 496 T N 2.494 117.047 114.554 -0.002 0.000 2.749 496 T HA 0.487 4.837 4.350 -0.000 0.000 0.287 496 T C 1.239 175.933 174.700 -0.010 0.000 0.970 496 T CA 0.181 62.275 62.100 -0.011 0.000 0.980 496 T CB 1.651 70.498 68.868 -0.034 0.000 0.924 496 T HN 0.882 nan 8.240 nan 0.000 0.456 497 A N 3.137 125.957 122.820 0.000 0.000 2.021 497 A HA 0.177 4.497 4.320 -0.000 0.000 0.216 497 A C 1.468 179.065 177.584 0.022 0.000 1.163 497 A CA 0.383 52.428 52.037 0.014 0.000 0.676 497 A CB -0.291 18.720 19.000 0.019 0.000 0.818 497 A HN 0.765 nan 8.150 nan 0.000 0.453 498 T N -1.301 113.256 114.554 0.004 0.000 2.902 498 T HA 0.565 4.915 4.350 -0.000 0.000 0.283 498 T C -3.161 171.551 174.700 0.020 0.000 1.009 498 T CA -2.542 59.571 62.100 0.021 0.000 1.051 498 T CB 1.469 70.341 68.868 0.008 0.000 0.999 498 T HN -0.016 nan 8.240 nan 0.000 0.474 499 P HA 0.275 nan 4.420 nan 0.000 0.267 499 P C -0.658 176.700 177.300 0.096 0.000 1.209 499 P CA -0.107 63.105 63.100 0.186 0.000 0.763 499 P CB 0.113 32.044 31.700 0.387 0.000 0.816 500 T N 4.627 119.166 114.554 -0.024 0.000 2.890 500 T HA 0.443 4.793 4.350 -0.000 0.000 0.295 500 T C 0.312 175.045 174.700 0.055 0.000 0.993 500 T CA -0.434 61.610 62.100 -0.094 0.000 0.979 500 T CB 0.410 69.027 68.868 -0.418 0.000 0.967 500 T HN 0.202 nan 8.240 nan 0.000 0.441 501 I N 2.643 123.324 120.570 0.185 0.000 2.396 501 I HA 0.305 4.475 4.170 -0.000 0.000 0.289 501 I C 1.427 177.694 176.117 0.250 0.000 1.056 501 I CA -0.035 61.411 61.300 0.244 0.000 1.365 501 I CB 1.063 39.168 38.000 0.174 0.000 1.407 501 I HN 0.867 nan 8.210 nan 0.000 0.509 502 G N 5.123 113.940 108.800 0.029 0.000 2.656 502 G HA2 0.019 3.979 3.960 -0.000 0.000 0.211 502 G HA3 0.019 3.979 3.960 -0.000 0.000 0.211 502 G C 0.399 175.128 174.900 -0.285 0.000 1.137 502 G CA 0.338 45.225 45.100 -0.356 0.000 0.802 502 G HN 0.654 nan 8.290 nan 0.000 0.527 503 H N -1.470 117.349 119.070 -0.419 0.000 3.024 503 H HA 0.475 5.031 4.556 -0.000 0.000 0.324 503 H C -2.119 172.900 175.328 -0.515 0.000 1.347 503 H CA -0.280 55.570 56.048 -0.329 0.000 1.182 503 H CB 1.964 31.676 29.762 -0.084 0.000 1.889 503 H HN -0.085 nan 8.280 nan 0.000 0.528 504 V N 1.308 120.734 119.914 -0.813 0.000 2.888 504 V HA 0.734 4.854 4.120 -0.000 0.000 0.309 504 V C -0.021 175.955 176.094 -0.196 0.000 1.114 504 V CA -0.099 61.916 62.300 -0.475 0.000 0.940 504 V CB 1.970 33.396 31.823 -0.662 0.000 1.021 504 V HN 0.966 nan 8.190 nan 0.000 0.426 505 G N 3.456 112.300 108.800 0.074 0.000 2.702 505 G HA2 0.679 4.639 3.960 -0.000 0.000 0.296 505 G HA3 0.679 4.639 3.960 -0.000 0.000 0.296 505 G C -3.433 171.587 174.900 0.200 0.000 1.463 505 G CA -0.923 44.300 45.100 0.205 0.000 0.890 505 G HN 0.504 nan 8.290 nan 0.000 0.534 506 P HA 0.209 nan 4.420 nan 0.000 0.274 506 P C 0.427 177.888 177.300 0.270 0.000 1.260 506 P CA -0.265 62.953 63.100 0.196 0.000 0.793 506 P CB 0.932 32.711 31.700 0.132 0.000 1.048 507 M N -0.984 118.684 119.600 0.112 0.000 2.371 507 M HA 0.268 4.748 4.480 -0.000 0.000 0.246 507 M C 0.646 176.621 176.300 -0.543 0.000 1.103 507 M CA 0.467 55.758 55.300 -0.014 0.000 1.010 507 M CB -0.548 32.067 32.600 0.026 0.000 1.457 507 M HN 0.455 nan 8.290 nan 0.000 0.486 508 M N 0.601 119.972 119.600 -0.382 0.000 2.284 508 M HA 0.644 5.124 4.480 -0.000 0.000 0.281 508 M C -2.201 173.984 176.300 -0.193 0.000 1.083 508 M CA -0.251 54.795 55.300 -0.423 0.000 0.965 508 M CB 2.378 34.825 32.600 -0.256 0.000 1.717 508 M HN -0.017 nan 8.290 nan 0.000 0.479 509 A N 3.454 126.187 122.820 -0.145 0.000 2.586 509 A HA 0.628 4.948 4.320 -0.000 0.000 0.291 509 A C -1.817 175.774 177.584 0.011 0.000 1.062 509 A CA -0.974 51.057 52.037 -0.010 0.000 0.666 509 A CB 1.554 20.600 19.000 0.077 0.000 1.281 509 A HN 0.969 nan 8.150 nan 0.000 0.421 510 K N 0.327 120.731 120.400 0.006 0.000 2.098 510 K HA 0.672 4.992 4.320 -0.000 0.000 0.244 510 K C -2.626 173.968 176.600 -0.010 0.000 1.014 510 K CA -1.500 54.786 56.287 -0.002 0.000 0.917 510 K CB 0.301 32.796 32.500 -0.009 0.000 1.072 510 K HN 0.279 nan 8.250 nan 0.000 0.477 511 P HA 0.007 nan 4.420 nan 0.000 0.267 511 P C 0.515 177.774 177.300 -0.069 0.000 1.200 511 P CA 0.963 64.013 63.100 -0.084 0.000 0.772 511 P CB 0.632 32.273 31.700 -0.098 0.000 0.855 512 G N 0.418 109.162 108.800 -0.093 0.000 2.241 512 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.244 512 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.244 512 G C 0.127 175.002 174.900 -0.041 0.000 0.998 512 G CA -0.051 45.011 45.100 -0.064 0.000 0.621 512 G HN 0.535 nan 8.290 nan 0.000 0.519 513 V N 1.887 121.786 119.914 -0.025 0.000 2.881 513 V HA 0.495 4.615 4.120 -0.000 0.000 0.303 513 V C 1.051 177.146 176.094 0.002 0.000 1.070 513 V CA 0.623 62.923 62.300 0.001 0.000 1.074 513 V CB 1.502 33.344 31.823 0.032 0.000 1.012 513 V HN 0.310 nan 8.190 nan 0.000 0.482 514 T N 5.829 120.387 114.554 0.006 0.000 2.806 514 T HA 0.572 4.922 4.350 -0.000 0.000 0.290 514 T C -0.084 174.637 174.700 0.037 0.000 0.966 514 T CA -0.034 62.071 62.100 0.008 0.000 1.060 514 T CB 0.479 69.343 68.868 -0.006 0.000 0.927 514 T HN 0.596 nan 8.240 nan 0.000 0.485 515 I N -0.257 120.335 120.570 0.036 0.000 2.910 515 I HA 0.753 4.923 4.170 -0.000 0.000 0.310 515 I C -0.485 175.629 176.117 -0.005 0.000 1.043 515 I CA -0.889 60.440 61.300 0.049 0.000 1.053 515 I CB 2.231 40.261 38.000 0.050 0.000 1.242 515 I HN 0.327 nan 8.210 nan 0.000 0.452 516 T N 4.552 119.109 114.554 0.005 0.000 2.779 516 T HA 0.618 4.968 4.350 -0.000 0.000 0.280 516 T C -0.268 174.390 174.700 -0.071 0.000 0.987 516 T CA -0.209 61.876 62.100 -0.026 0.000 0.966 516 T CB 1.103 69.983 68.868 0.020 0.000 0.933 516 T HN 0.383 nan 8.240 nan 0.000 0.442 517 I N 3.353 123.839 120.570 -0.140 0.000 2.355 517 I HA 0.364 4.534 4.170 -0.000 0.000 0.288 517 I C -0.394 175.696 176.117 -0.045 0.000 0.999 517 I CA -0.800 60.388 61.300 -0.186 0.000 1.163 517 I CB 1.307 39.093 38.000 -0.355 0.000 1.316 517 I HN 0.447 nan 8.210 nan 0.000 0.454 518 D N 4.666 125.057 120.400 -0.015 0.000 2.198 518 D HA 0.790 5.430 4.640 -0.000 0.000 0.247 518 D C 0.328 176.567 176.300 -0.102 0.000 1.010 518 D CA 0.032 54.028 54.000 -0.006 0.000 0.880 518 D CB 2.483 43.260 40.800 -0.037 0.000 1.209 518 D HN 0.786 nan 8.370 nan 0.000 0.451 519 G N 0.551 109.222 108.800 -0.215 0.000 2.455 519 G HA2 0.232 4.192 3.960 -0.000 0.000 0.223 519 G HA3 0.232 4.192 3.960 -0.000 0.000 0.223 519 G C -1.371 173.243 174.900 -0.476 0.000 1.226 519 G CA -0.658 44.237 45.100 -0.341 0.000 0.948 519 G HN 0.329 nan 8.290 nan 0.000 0.478 520 R N -0.882 119.252 120.500 -0.609 0.000 2.680 520 R HA 0.623 4.963 4.340 -0.000 0.000 0.269 520 R C 0.491 176.463 176.300 -0.546 0.000 1.026 520 R CA 0.067 55.894 56.100 -0.455 0.000 0.889 520 R CB 1.201 31.509 30.300 0.013 0.000 1.241 520 R HN 2.353 nan 8.270 nan 0.000 0.463 521 G N 1.126 109.739 108.800 -0.312 0.000 2.147 521 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.244 521 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.244 521 G C 0.208 175.150 174.900 0.069 0.000 1.005 521 G CA 0.234 45.268 45.100 -0.109 0.000 0.713 521 G HN 0.427 nan 8.290 nan 0.000 0.515 522 F N 1.033 121.022 119.950 0.065 0.000 2.615 522 F HA 0.406 4.933 4.527 -0.000 0.000 0.297 522 F C 2.046 178.101 175.800 0.426 0.000 1.124 522 F CA 0.894 58.980 58.000 0.143 0.000 1.451 522 F CB -0.578 38.297 39.000 -0.207 0.000 1.103 522 F HN 1.080 nan 8.300 nan 0.000 0.569 523 G N 0.101 109.160 108.800 0.431 0.000 2.828 523 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.463 523 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.463 523 G C 0.743 175.898 174.900 0.424 0.000 1.394 523 G CA -0.011 45.295 45.100 0.342 0.000 0.862 523 G HN 0.410 nan 8.290 nan 0.000 0.540 524 S N -1.537 114.302 115.700 0.231 0.000 2.503 524 S HA 0.497 4.967 4.470 -0.000 0.000 0.215 524 S C 1.214 175.862 174.600 0.080 0.000 1.003 524 S CA 1.227 59.548 58.200 0.203 0.000 0.910 524 S CB 0.493 63.765 63.200 0.119 0.000 0.790 524 S HN 1.820 nan 8.310 nan 0.000 0.514 525 S N 1.649 117.297 115.700 -0.087 0.000 2.480 525 S HA 0.360 4.830 4.470 -0.000 0.000 0.286 525 S C -0.269 173.824 174.600 -0.845 0.000 1.180 525 S CA -0.730 57.291 58.200 -0.300 0.000 1.075 525 S CB 0.385 63.464 63.200 -0.202 0.000 0.996 525 S HN 0.334 nan 8.310 nan 0.000 0.487 526 K N 2.868 122.758 120.400 -0.850 0.000 2.511 526 K HA 0.163 4.483 4.320 -0.000 0.000 0.280 526 K C 0.826 176.650 176.600 -1.294 0.000 1.008 526 K CA 0.421 55.952 56.287 -1.259 0.000 1.050 526 K CB 0.323 32.528 32.500 -0.491 0.000 0.889 526 K HN 0.766 nan 8.250 nan 0.000 0.484 527 G N 1.647 109.233 108.800 -2.024 0.000 3.341 527 G HA2 0.351 4.311 3.960 -0.000 0.000 0.177 527 G HA3 0.351 4.311 3.960 -0.000 0.000 0.177 527 G C -0.770 173.914 174.900 -0.360 0.000 1.236 527 G CA -0.176 44.382 45.100 -0.905 0.000 0.888 527 G HN 0.507 nan 8.290 nan 0.000 0.644 528 T N -0.614 113.932 114.554 -0.014 0.000 2.909 528 T HA 0.569 4.919 4.350 -0.000 0.000 0.299 528 T C -1.217 173.482 174.700 -0.002 0.000 1.073 528 T CA -0.253 61.811 62.100 -0.060 0.000 0.999 528 T CB 2.241 70.991 68.868 -0.197 0.000 1.098 528 T HN 0.301 nan 8.240 nan 0.000 0.477 529 V N 2.730 122.548 119.914 -0.160 0.000 2.495 529 V HA 0.511 4.631 4.120 -0.000 0.000 0.298 529 V C -1.392 174.508 176.094 -0.323 0.000 1.031 529 V CA -0.829 61.370 62.300 -0.167 0.000 0.871 529 V CB 1.140 32.879 31.823 -0.140 0.000 0.988 529 V HN 0.798 nan 8.190 nan 0.000 0.432 530 Y N 3.797 124.004 120.300 -0.154 0.000 2.360 530 Y HA 0.616 5.166 4.550 -0.000 0.000 0.337 530 Y C -0.380 175.372 175.900 -0.246 0.000 1.039 530 Y CA -1.109 56.943 58.100 -0.080 0.000 1.109 530 Y CB 1.482 39.927 38.460 -0.024 0.000 1.201 530 Y HN 0.511 nan 8.280 nan 0.000 0.458 531 F N 2.404 122.390 119.950 0.061 0.000 2.307 531 F HA 0.534 5.061 4.527 -0.000 0.000 0.369 531 F C 0.925 176.815 175.800 0.150 0.000 1.076 531 F CA -0.229 57.760 58.000 -0.018 0.000 1.149 531 F CB 0.770 39.618 39.000 -0.253 0.000 1.410 531 F HN 0.809 nan 8.300 nan 0.000 0.481 532 G N 2.162 111.199 108.800 0.395 0.000 2.543 532 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.286 532 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.286 532 G C 1.032 176.103 174.900 0.285 0.000 1.153 532 G CA 0.382 45.728 45.100 0.410 0.000 0.968 532 G HN 0.770 nan 8.290 nan 0.000 0.544 533 T N -1.772 112.943 114.554 0.268 0.000 3.069 533 T HA 0.459 4.809 4.350 -0.000 0.000 0.252 533 T C 0.870 175.741 174.700 0.284 0.000 1.053 533 T CA 1.349 63.590 62.100 0.236 0.000 0.964 533 T CB 0.155 69.118 68.868 0.159 0.000 1.005 533 T HN 0.766 nan 8.240 nan 0.000 0.532 534 T N 3.291 118.004 114.554 0.264 0.000 2.761 534 T HA 0.637 4.987 4.350 -0.000 0.000 0.296 534 T C 0.256 175.032 174.700 0.128 0.000 0.934 534 T CA -0.455 61.750 62.100 0.175 0.000 1.091 534 T CB 0.858 69.787 68.868 0.100 0.000 0.896 534 T HN 0.534 nan 8.240 nan 0.000 0.515 535 A N 3.546 126.374 122.820 0.014 0.000 2.310 535 A HA 0.669 4.989 4.320 -0.000 0.000 0.299 535 A C -0.303 177.186 177.584 -0.158 0.000 1.147 535 A CA -0.565 51.325 52.037 -0.246 0.000 0.818 535 A CB 0.578 19.413 19.000 -0.274 0.000 1.096 535 A HN 0.675 nan 8.150 nan 0.000 0.495 536 V N 2.558 122.349 119.914 -0.204 0.000 2.483 536 V HA 0.675 4.795 4.120 -0.000 0.000 0.297 536 V C -0.015 176.011 176.094 -0.113 0.000 1.027 536 V CA 0.059 62.302 62.300 -0.095 0.000 0.855 536 V CB 1.374 33.212 31.823 0.024 0.000 0.995 536 V HN 1.264 nan 8.190 nan 0.000 0.424 537 S N 2.675 118.323 115.700 -0.085 0.000 2.671 537 S HA 0.971 5.441 4.470 -0.000 0.000 0.277 537 S C 0.211 174.776 174.600 -0.060 0.000 1.165 537 S CA -0.028 58.123 58.200 -0.081 0.000 0.822 537 S CB 1.596 64.730 63.200 -0.109 0.000 1.150 537 S HN 2.078 nan 8.310 nan 0.000 0.479 538 G N 1.315 110.075 108.800 -0.067 0.000 2.566 538 G HA2 0.031 3.991 3.960 -0.000 0.000 0.280 538 G HA3 0.031 3.991 3.960 -0.000 0.000 0.280 538 G C 1.131 176.013 174.900 -0.030 0.000 1.225 538 G CA 0.987 46.055 45.100 -0.053 0.000 0.966 538 G HN 1.991 nan 8.290 nan 0.000 0.560 539 A N -1.096 121.707 122.820 -0.028 0.000 1.958 539 A HA -0.121 4.199 4.320 -0.000 0.000 0.221 539 A C 2.006 179.582 177.584 -0.014 0.000 1.178 539 A CA 2.848 54.873 52.037 -0.020 0.000 0.642 539 A CB -0.653 18.334 19.000 -0.022 0.000 0.816 539 A HN 0.723 nan 8.150 nan 0.000 0.453 540 D N -0.440 119.949 120.400 -0.019 0.000 2.264 540 D HA -0.011 4.629 4.640 -0.000 0.000 0.208 540 D C 0.631 176.932 176.300 0.001 0.000 0.966 540 D CA 0.527 54.515 54.000 -0.019 0.000 0.864 540 D CB -0.227 40.551 40.800 -0.038 0.000 0.933 540 D HN 0.468 nan 8.370 nan 0.000 0.499 541 I N 2.139 122.721 120.570 0.020 0.000 2.311 541 I HA -0.037 4.133 4.170 -0.000 0.000 0.297 541 I C 1.639 177.786 176.117 0.050 0.000 1.131 541 I CA 0.049 61.384 61.300 0.057 0.000 1.289 541 I CB 0.764 38.830 38.000 0.110 0.000 1.446 541 I HN -0.063 nan 8.210 nan 0.000 0.524 542 T N 0.857 115.429 114.554 0.031 0.000 2.995 542 T HA -0.011 4.339 4.350 -0.000 0.000 0.269 542 T C 0.634 175.358 174.700 0.040 0.000 1.091 542 T CA 0.436 62.550 62.100 0.024 0.000 1.128 542 T CB -0.062 68.809 68.868 0.005 0.000 0.891 542 T HN 0.590 nan 8.240 nan 0.000 0.492 543 S N -0.928 114.810 115.700 0.063 0.000 2.542 543 S HA 0.520 4.990 4.470 -0.000 0.000 0.276 543 S C -2.087 172.597 174.600 0.140 0.000 1.148 543 S CA -1.107 57.146 58.200 0.088 0.000 0.886 543 S CB 1.449 64.678 63.200 0.048 0.000 1.109 543 S HN 0.424 nan 8.310 nan 0.000 0.458 544 W N 2.527 123.813 121.300 -0.022 0.000 3.132 544 W HA 0.551 5.211 4.660 -0.000 0.000 0.337 544 W C -1.431 175.105 176.519 0.028 0.000 1.082 544 W CA -0.444 56.893 57.345 -0.013 0.000 1.242 544 W CB 1.606 31.045 29.460 -0.035 0.000 1.354 544 W HN 1.032 nan 8.180 nan 0.000 0.461 545 E N 2.081 122.372 120.200 0.152 0.000 2.456 545 E HA 0.079 4.429 4.350 -0.000 0.000 0.276 545 E C -0.075 176.632 176.600 0.179 0.000 0.981 545 E CA -0.685 55.840 56.400 0.209 0.000 0.814 545 E CB 2.074 31.833 29.700 0.098 0.000 1.382 545 E HN 0.260 nan 8.360 nan 0.000 0.459 546 D N 0.207 120.717 120.400 0.183 0.000 2.149 546 D HA -0.188 4.452 4.640 -0.000 0.000 0.194 546 D C 1.677 177.949 176.300 -0.046 0.000 1.001 546 D CA 2.522 56.596 54.000 0.124 0.000 0.849 546 D CB 0.169 41.008 40.800 0.065 0.000 0.939 546 D HN 0.518 nan 8.370 nan 0.000 0.449 547 T N -3.658 110.874 114.554 -0.038 0.000 3.023 547 T HA 0.138 4.487 4.350 -0.000 0.000 0.253 547 T C 0.532 175.258 174.700 0.043 0.000 1.038 547 T CA -0.429 61.593 62.100 -0.130 0.000 0.962 547 T CB 0.395 69.214 68.868 -0.082 0.000 1.018 547 T HN 0.171 nan 8.240 nan 0.000 0.521 548 Q N 0.090 119.963 119.800 0.121 0.000 2.320 548 Q HA 0.651 4.991 4.340 -0.000 0.000 0.272 548 Q C -2.162 173.768 176.000 -0.117 0.000 1.023 548 Q CA -0.913 54.924 55.803 0.057 0.000 0.855 548 Q CB 1.984 30.717 28.738 -0.007 0.000 1.367 548 Q HN 0.443 nan 8.270 nan 0.000 0.406 549 I N 2.610 123.013 120.570 -0.278 0.000 2.545 549 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 549 I C -0.864 175.122 176.117 -0.220 0.000 1.040 549 I CA -0.754 60.297 61.300 -0.415 0.000 1.068 549 I CB 2.212 39.721 38.000 -0.819 0.000 1.251 549 I HN 0.406 nan 8.210 nan 0.000 0.424 550 K N 5.196 125.527 120.400 -0.115 0.000 2.394 550 K HA 0.699 5.019 4.320 -0.000 0.000 0.260 550 K C -1.401 175.179 176.600 -0.033 0.000 0.967 550 K CA -0.607 55.642 56.287 -0.063 0.000 0.855 550 K CB 2.743 35.224 32.500 -0.031 0.000 1.101 550 K HN 0.324 nan 8.250 nan 0.000 0.433 551 V N 3.008 122.904 119.914 -0.029 0.000 2.925 551 V HA 0.367 4.487 4.120 -0.000 0.000 0.311 551 V C -1.376 174.726 176.094 0.013 0.000 1.104 551 V CA -0.937 61.368 62.300 0.008 0.000 0.954 551 V CB 2.027 33.871 31.823 0.035 0.000 1.022 551 V HN 0.643 nan 8.190 nan 0.000 0.427 552 K N 6.018 126.411 120.400 -0.013 0.000 2.205 552 K HA 0.518 4.838 4.320 -0.000 0.000 0.279 552 K C -0.485 176.023 176.600 -0.153 0.000 1.027 552 K CA -0.384 55.869 56.287 -0.055 0.000 0.932 552 K CB 1.436 33.898 32.500 -0.063 0.000 1.032 552 K HN 0.585 nan 8.250 nan 0.000 0.466 553 I N 5.354 125.796 120.570 -0.214 0.000 2.668 553 I HA -0.001 4.169 4.170 -0.000 0.000 0.285 553 I C -1.698 174.138 176.117 -0.468 0.000 1.168 553 I CA -1.728 59.260 61.300 -0.521 0.000 1.424 553 I CB 0.056 37.873 38.000 -0.304 0.000 1.377 553 I HN 0.347 nan 8.210 nan 0.000 0.560 554 P HA 0.050 nan 4.420 nan 0.000 0.272 554 P C -0.569 176.552 177.300 -0.298 0.000 1.230 554 P CA -0.518 62.357 63.100 -0.375 0.000 0.788 554 P CB 0.677 32.166 31.700 -0.350 0.000 0.949 555 A N 2.400 125.112 122.820 -0.179 0.000 2.981 555 A HA 0.366 4.686 4.320 -0.000 0.000 0.280 555 A C 0.702 178.226 177.584 -0.101 0.000 1.797 555 A CA -0.215 51.750 52.037 -0.120 0.000 1.456 555 A CB -1.564 17.391 19.000 -0.076 0.000 1.057 555 A HN 0.402 nan 8.150 nan 0.000 0.602 556 V N -1.489 118.348 119.914 -0.129 0.000 3.267 556 V HA 0.906 5.026 4.120 -0.000 0.000 0.317 556 V C 0.667 176.775 176.094 0.022 0.000 1.131 556 V CA -0.855 61.408 62.300 -0.063 0.000 1.031 556 V CB 0.863 32.594 31.823 -0.153 0.000 1.159 556 V HN 0.917 nan 8.190 nan 0.000 0.454 557 A N 0.530 123.424 122.820 0.122 0.000 2.407 557 A HA 0.605 4.925 4.320 -0.000 0.000 0.248 557 A C 0.913 178.626 177.584 0.215 0.000 1.082 557 A CA 0.285 52.408 52.037 0.144 0.000 0.785 557 A CB -0.426 18.661 19.000 0.145 0.000 1.020 557 A HN 2.001 nan 8.150 nan 0.000 0.489 558 G N 0.210 109.093 108.800 0.139 0.000 2.265 558 G HA2 0.542 4.502 3.960 -0.000 0.000 0.240 558 G HA3 0.542 4.502 3.960 -0.000 0.000 0.240 558 G C 0.438 175.443 174.900 0.175 0.000 1.270 558 G CA 0.657 45.842 45.100 0.142 0.000 0.901 558 G HN 1.820 nan 8.290 nan 0.000 0.507 559 G N 1.003 109.938 108.800 0.224 0.000 2.317 559 G HA2 0.322 4.281 3.960 -0.000 0.000 0.293 559 G HA3 0.322 4.281 3.960 -0.000 0.000 0.293 559 G C -1.396 173.539 174.900 0.059 0.000 1.287 559 G CA -0.958 44.175 45.100 0.055 0.000 0.850 559 G HN 0.784 nan 8.290 nan 0.000 0.515 560 N N -0.708 117.895 118.700 -0.161 0.000 2.421 560 N HA 0.741 5.481 4.740 -0.000 0.000 0.285 560 N C -1.353 174.035 175.510 -0.204 0.000 1.027 560 N CA -0.195 52.826 53.050 -0.049 0.000 0.918 560 N CB 0.901 39.359 38.487 -0.048 0.000 1.152 560 N HN 0.440 nan 8.380 nan 0.000 0.485 561 Y N 0.486 120.924 120.300 0.231 0.000 2.634 561 Y HA 0.486 5.036 4.550 0.000 0.000 0.340 561 Y C -0.272 175.757 175.900 0.215 0.000 1.058 561 Y CA -1.069 57.176 58.100 0.243 0.000 1.081 561 Y CB 1.495 40.166 38.460 0.352 0.000 1.295 561 Y HN 0.415 nan 8.280 nan 0.000 0.487 562 N N 1.081 119.978 118.700 0.328 0.000 2.372 562 N HA 0.535 5.275 4.740 -0.000 0.000 0.291 562 N C -1.302 174.277 175.510 0.113 0.000 1.024 562 N CA -0.426 52.737 53.050 0.189 0.000 0.873 562 N CB 1.483 40.037 38.487 0.111 0.000 1.206 562 N HN 0.477 nan 8.380 nan 0.000 0.486 563 I N 0.836 121.429 120.570 0.039 0.000 2.525 563 I HA 0.451 4.621 4.170 -0.000 0.000 0.301 563 I C 0.257 176.337 176.117 -0.062 0.000 0.992 563 I CA -0.559 60.646 61.300 -0.159 0.000 1.162 563 I CB 1.550 39.327 38.000 -0.372 0.000 1.332 563 I HN 0.288 nan 8.210 nan 0.000 0.458 564 K N 4.656 125.002 120.400 -0.089 0.000 2.556 564 K HA 0.743 5.063 4.320 -0.000 0.000 0.274 564 K C -1.876 174.749 176.600 0.041 0.000 0.966 564 K CA -0.678 55.605 56.287 -0.007 0.000 0.865 564 K CB 2.692 35.189 32.500 -0.004 0.000 1.444 564 K HN 0.453 nan 8.250 nan 0.000 0.433 565 V N -0.951 118.993 119.914 0.051 0.000 2.962 565 V HA 0.977 5.097 4.120 -0.000 0.000 0.313 565 V C -1.404 174.810 176.094 0.200 0.000 1.099 565 V CA -0.543 61.808 62.300 0.086 0.000 0.971 565 V CB 1.572 33.275 31.823 -0.201 0.000 1.028 565 V HN 0.921 nan 8.190 nan 0.000 0.430 566 A N 3.244 126.249 122.820 0.309 0.000 2.371 566 A HA 0.842 5.162 4.320 -0.000 0.000 0.311 566 A C -0.208 177.563 177.584 0.312 0.000 1.068 566 A CA -0.689 51.518 52.037 0.282 0.000 0.744 566 A CB 1.130 20.305 19.000 0.292 0.000 1.239 566 A HN 1.349 nan 8.150 nan 0.000 0.435 567 N N 1.430 120.288 118.700 0.262 0.000 2.347 567 N HA 0.369 5.109 4.740 -0.000 0.000 0.253 567 N C 1.077 176.593 175.510 0.009 0.000 1.274 567 N CA 0.050 53.237 53.050 0.229 0.000 0.941 567 N CB 0.386 39.025 38.487 0.253 0.000 1.200 567 N HN 0.631 nan 8.380 nan 0.000 0.514 568 A N -0.791 121.963 122.820 -0.111 0.000 2.076 568 A HA -0.006 4.314 4.320 -0.000 0.000 0.220 568 A C 1.851 179.401 177.584 -0.056 0.000 1.160 568 A CA 1.848 53.795 52.037 -0.149 0.000 0.653 568 A CB -1.241 17.643 19.000 -0.194 0.000 0.801 568 A HN 0.874 nan 8.150 nan 0.000 0.455 569 A N -2.091 120.726 122.820 -0.005 0.000 2.275 569 A HA 0.436 4.756 4.320 -0.000 0.000 0.212 569 A C 1.768 179.366 177.584 0.024 0.000 1.201 569 A CA 1.073 53.116 52.037 0.009 0.000 0.843 569 A CB -0.788 18.227 19.000 0.024 0.000 0.873 569 A HN 1.823 nan 8.150 nan 0.000 0.492 570 G N -1.058 107.764 108.800 0.038 0.000 2.179 570 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.260 570 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.260 570 G C 0.367 175.307 174.900 0.066 0.000 0.977 570 G CA 0.465 45.600 45.100 0.058 0.000 0.641 570 G HN 0.656 nan 8.290 nan 0.000 0.533 571 T N 1.592 116.189 114.554 0.073 0.000 2.834 571 T HA 0.590 4.940 4.350 -0.000 0.000 0.298 571 T C 0.740 175.495 174.700 0.091 0.000 0.966 571 T CA 0.526 62.667 62.100 0.069 0.000 1.141 571 T CB 1.618 70.526 68.868 0.066 0.000 0.905 571 T HN 1.280 nan 8.240 nan 0.000 0.535 572 A N 3.431 126.285 122.820 0.056 0.000 2.286 572 A HA 0.694 5.014 4.320 -0.000 0.000 0.286 572 A C 0.768 178.387 177.584 0.059 0.000 1.097 572 A CA -0.757 51.312 52.037 0.053 0.000 0.821 572 A CB 0.434 19.423 19.000 -0.018 0.000 1.076 572 A HN 0.882 nan 8.150 nan 0.000 0.490 573 S N 1.252 116.995 115.700 0.072 0.000 2.738 573 S HA 0.438 4.908 4.470 -0.000 0.000 0.284 573 S C 0.121 174.744 174.600 0.038 0.000 1.146 573 S CA -0.696 57.549 58.200 0.075 0.000 0.997 573 S CB 0.439 63.717 63.200 0.129 0.000 1.081 573 S HN 0.915 nan 8.310 nan 0.000 0.553 574 N N 0.064 118.786 118.700 0.037 0.000 2.444 574 N HA 0.150 4.890 4.740 -0.000 0.000 0.255 574 N C -0.411 175.133 175.510 0.056 0.000 1.255 574 N CA -0.470 52.598 53.050 0.029 0.000 0.933 574 N CB 0.062 38.563 38.487 0.023 0.000 1.143 574 N HN 0.440 nan 8.380 nan 0.000 0.453 575 V N 0.823 120.762 119.914 0.042 0.000 2.649 575 V HA 0.094 4.214 4.120 -0.000 0.000 0.292 575 V C -0.631 175.525 176.094 0.103 0.000 1.055 575 V CA -0.430 61.904 62.300 0.057 0.000 1.023 575 V CB 0.022 31.860 31.823 0.026 0.000 0.992 575 V HN 0.647 nan 8.190 nan 0.000 0.480 576 Y N 4.667 124.962 120.300 -0.008 0.000 2.328 576 Y HA 0.444 4.994 4.550 0.000 0.000 0.333 576 Y C 0.138 176.058 175.900 0.033 0.000 0.958 576 Y CA -1.102 57.001 58.100 0.006 0.000 1.167 576 Y CB 0.965 39.414 38.460 -0.019 0.000 1.151 576 Y HN 0.854 nan 8.280 nan 0.000 0.470 577 D N 2.216 122.582 120.400 -0.056 0.000 2.549 577 D HA 0.203 4.843 4.640 -0.000 0.000 0.270 577 D C -0.083 176.281 176.300 0.107 0.000 1.181 577 D CA -0.717 53.313 54.000 0.050 0.000 1.070 577 D CB 0.856 41.643 40.800 -0.023 0.000 1.154 577 D HN 0.559 nan 8.370 nan 0.000 0.602 578 N N -2.367 116.405 118.700 0.121 0.000 2.782 578 N HA -0.228 4.512 4.740 -0.000 0.000 0.251 578 N C -1.259 174.356 175.510 0.176 0.000 1.101 578 N CA 0.178 53.292 53.050 0.108 0.000 0.764 578 N CB -1.925 36.584 38.487 0.038 0.000 1.122 578 N HN 0.427 nan 8.380 nan 0.000 0.561 579 F N 1.746 121.795 119.950 0.165 0.000 2.438 579 F HA 0.347 4.874 4.527 -0.000 0.000 0.356 579 F C 0.770 176.701 175.800 0.218 0.000 1.099 579 F CA -0.412 57.707 58.000 0.198 0.000 1.185 579 F CB 0.657 39.803 39.000 0.244 0.000 1.115 579 F HN 0.146 nan 8.300 nan 0.000 0.526 580 E N 5.012 124.849 120.200 -0.605 0.000 2.174 580 E HA 0.433 4.782 4.350 -0.000 0.000 0.282 580 E C -1.563 174.852 176.600 -0.308 0.000 0.992 580 E CA -0.739 55.491 56.400 -0.282 0.000 0.803 580 E CB 1.246 30.812 29.700 -0.223 0.000 1.090 580 E HN 0.496 nan 8.360 nan 0.000 0.396 581 V N 6.746 126.727 119.914 0.111 0.000 2.318 581 V HA 0.192 4.312 4.120 -0.000 0.000 0.271 581 V C 0.358 176.496 176.094 0.074 0.000 1.030 581 V CA -0.575 61.813 62.300 0.147 0.000 0.844 581 V CB 0.650 32.601 31.823 0.214 0.000 1.015 581 V HN 0.741 nan 8.190 nan 0.000 0.460 582 L N 3.263 124.491 121.223 0.008 0.000 2.483 582 L HA 0.112 4.452 4.340 -0.000 0.000 0.275 582 L C 1.692 178.571 176.870 0.014 0.000 1.220 582 L CA 0.234 55.073 54.840 -0.002 0.000 0.833 582 L CB 0.601 42.645 42.059 -0.024 0.000 1.102 582 L HN 0.612 nan 8.230 nan 0.000 0.490 583 S N 0.401 116.107 115.700 0.010 0.000 2.481 583 S HA 0.128 4.597 4.470 -0.000 0.000 0.231 583 S C 0.524 175.125 174.600 0.001 0.000 0.996 583 S CA 0.759 58.965 58.200 0.011 0.000 0.942 583 S CB 0.037 63.241 63.200 0.006 0.000 0.768 583 S HN 0.954 nan 8.310 nan 0.000 0.520 584 G N 0.135 108.933 108.800 -0.004 0.000 2.351 584 G HA2 0.124 4.084 3.960 -0.000 0.000 0.279 584 G HA3 0.124 4.084 3.960 -0.000 0.000 0.279 584 G C -2.175 172.718 174.900 -0.011 0.000 1.297 584 G CA -0.913 44.182 45.100 -0.008 0.000 0.886 584 G HN 0.074 nan 8.290 nan 0.000 0.493 585 D N 1.007 121.400 120.400 -0.011 0.000 2.400 585 D HA 0.328 4.968 4.640 -0.000 0.000 0.238 585 D C 0.141 176.434 176.300 -0.012 0.000 1.157 585 D CA 0.529 54.520 54.000 -0.016 0.000 0.889 585 D CB 0.786 41.578 40.800 -0.015 0.000 1.199 585 D HN 0.288 nan 8.370 nan 0.000 0.436 586 Q N 0.186 119.974 119.800 -0.021 0.000 2.297 586 Q HA 0.600 4.940 4.340 -0.000 0.000 0.268 586 Q C -0.249 175.755 176.000 0.008 0.000 1.045 586 Q CA -1.002 54.797 55.803 -0.006 0.000 0.861 586 Q CB 2.264 30.987 28.738 -0.024 0.000 1.344 586 Q HN 0.335 nan 8.270 nan 0.000 0.452 587 V N -2.515 117.426 119.914 0.045 0.000 2.962 587 V HA 0.681 4.801 4.120 -0.000 0.000 0.313 587 V C -0.394 175.771 176.094 0.118 0.000 1.099 587 V CA -0.948 61.399 62.300 0.079 0.000 0.971 587 V CB 1.989 33.870 31.823 0.096 0.000 1.028 587 V HN 0.673 nan 8.190 nan 0.000 0.430 588 S N 1.584 117.379 115.700 0.160 0.000 2.438 588 S HA 0.743 5.213 4.470 -0.000 0.000 0.293 588 S C -0.637 174.092 174.600 0.215 0.000 1.141 588 S CA -0.345 57.988 58.200 0.221 0.000 1.080 588 S CB 0.656 64.058 63.200 0.338 0.000 0.978 588 S HN 0.844 nan 8.310 nan 0.000 0.479 589 V N 6.223 126.264 119.914 0.211 0.000 2.588 589 V HA 0.506 4.626 4.120 -0.000 0.000 0.304 589 V C 0.084 176.249 176.094 0.119 0.000 1.042 589 V CA -0.985 61.376 62.300 0.101 0.000 0.877 589 V CB 1.764 33.615 31.823 0.047 0.000 0.996 589 V HN 0.844 nan 8.190 nan 0.000 0.425 590 R N 3.848 124.357 120.500 0.014 0.000 2.196 590 R HA 0.464 4.804 4.340 -0.000 0.000 0.340 590 R C -1.411 174.843 176.300 -0.076 0.000 1.043 590 R CA -0.293 55.861 56.100 0.090 0.000 0.883 590 R CB 0.315 30.683 30.300 0.113 0.000 1.078 590 R HN 0.479 nan 8.270 nan 0.000 0.462 591 F N 3.939 123.889 119.950 0.000 0.000 2.394 591 F HA 0.356 4.883 4.527 -0.000 0.000 0.340 591 F C -0.064 175.765 175.800 0.049 0.000 1.105 591 F CA -0.610 57.381 58.000 -0.016 0.000 1.124 591 F CB 1.812 40.833 39.000 0.036 0.000 1.145 591 F HN 0.104 nan 8.300 nan 0.000 0.505 592 V N 4.064 124.029 119.914 0.085 0.000 2.525 592 V HA 0.492 4.612 4.120 -0.000 0.000 0.299 592 V C -0.881 175.146 176.094 -0.111 0.000 1.034 592 V CA -0.876 61.363 62.300 -0.102 0.000 0.863 592 V CB 1.749 33.307 31.823 -0.443 0.000 0.999 592 V HN 0.558 nan 8.190 nan 0.000 0.423 593 V N 5.380 125.164 119.914 -0.217 0.000 2.495 593 V HA 0.601 4.721 4.120 -0.000 0.000 0.298 593 V C -0.449 175.584 176.094 -0.102 0.000 1.031 593 V CA -0.416 61.681 62.300 -0.339 0.000 0.871 593 V CB 1.907 33.123 31.823 -1.011 0.000 0.988 593 V HN 0.952 nan 8.190 nan 0.000 0.432 594 N N 5.382 124.065 118.700 -0.029 0.000 2.487 594 N HA 0.368 5.108 4.740 -0.000 0.000 0.292 594 N C -0.525 175.015 175.510 0.050 0.000 1.108 594 N CA -0.368 52.697 53.050 0.024 0.000 0.956 594 N CB 0.972 39.478 38.487 0.033 0.000 1.176 594 N HN 0.786 nan 8.380 nan 0.000 0.484 595 N N -0.445 118.255 118.700 0.001 0.000 2.696 595 N HA -0.188 4.552 4.740 -0.000 0.000 0.256 595 N C -0.971 174.465 175.510 -0.122 0.000 1.031 595 N CA 0.412 53.429 53.050 -0.055 0.000 0.730 595 N CB -1.309 37.173 38.487 -0.009 0.000 0.894 595 N HN 0.665 nan 8.380 nan 0.000 0.544 596 A N 0.354 123.070 122.820 -0.174 0.000 2.801 596 A HA 0.467 4.787 4.320 -0.000 0.000 0.344 596 A C 0.862 178.256 177.584 -0.318 0.000 1.322 596 A CA -0.208 51.546 52.037 -0.471 0.000 0.913 596 A CB 0.205 18.880 19.000 -0.542 0.000 1.140 596 A HN 0.387 nan 8.150 nan 0.000 0.487 597 T N 0.180 114.540 114.554 -0.323 0.000 2.913 597 T HA 0.586 4.936 4.350 -0.000 0.000 0.297 597 T C 0.394 175.098 174.700 0.006 0.000 1.029 597 T CA 0.353 62.400 62.100 -0.088 0.000 1.104 597 T CB 0.958 69.810 68.868 -0.027 0.000 0.964 597 T HN 0.907 nan 8.240 nan 0.000 0.532 598 T N -0.825 113.918 114.554 0.316 0.000 2.864 598 T HA 0.802 5.152 4.350 -0.000 0.000 0.289 598 T C -0.080 174.707 174.700 0.144 0.000 1.082 598 T CA -0.791 61.401 62.100 0.153 0.000 1.009 598 T CB 1.372 70.360 68.868 0.199 0.000 1.234 598 T HN 1.079 nan 8.240 nan 0.000 0.526 599 A N 0.634 123.497 122.820 0.072 0.000 2.242 599 A HA 0.759 5.079 4.320 -0.000 0.000 0.304 599 A C 0.090 177.702 177.584 0.047 0.000 1.100 599 A CA -1.027 51.041 52.037 0.051 0.000 0.860 599 A CB 0.057 19.077 19.000 0.033 0.000 1.168 599 A HN 0.910 nan 8.150 nan 0.000 0.503 600 L N 0.532 121.771 121.223 0.027 0.000 2.490 600 L HA 0.360 4.700 4.340 -0.000 0.000 0.274 600 L C 1.511 178.403 176.870 0.036 0.000 1.201 600 L CA 1.465 56.317 54.840 0.021 0.000 0.869 600 L CB 0.297 42.361 42.059 0.008 0.000 1.123 600 L HN 1.239 nan 8.230 nan 0.000 0.484 601 G N 2.136 110.965 108.800 0.048 0.000 2.162 601 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.260 601 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.260 601 G C 0.058 175.001 174.900 0.072 0.000 0.976 601 G CA 0.261 45.396 45.100 0.058 0.000 0.655 601 G HN 0.617 nan 8.290 nan 0.000 0.533 602 Q N 0.116 119.963 119.800 0.079 0.000 2.316 602 Q HA 0.597 4.937 4.340 -0.000 0.000 0.264 602 Q C -0.781 175.265 176.000 0.078 0.000 0.987 602 Q CA -0.863 54.981 55.803 0.068 0.000 0.852 602 Q CB 0.776 29.535 28.738 0.035 0.000 1.287 602 Q HN 0.259 nan 8.270 nan 0.000 0.448 603 N N 1.704 120.438 118.700 0.057 0.000 2.265 603 N HA 0.404 5.144 4.740 -0.000 0.000 0.300 603 N C -1.225 174.087 175.510 -0.329 0.000 1.148 603 N CA -0.397 52.584 53.050 -0.116 0.000 0.772 603 N CB 2.241 40.707 38.487 -0.035 0.000 1.434 603 N HN 0.315 nan 8.380 nan 0.000 0.481 604 V N 1.906 121.271 119.914 -0.915 0.000 2.686 604 V HA 0.388 4.508 4.120 -0.000 0.000 0.295 604 V C -0.733 175.087 176.094 -0.455 0.000 1.057 604 V CA 0.038 61.947 62.300 -0.651 0.000 1.012 604 V CB 0.179 31.352 31.823 -1.082 0.000 1.006 604 V HN 0.518 nan 8.190 nan 0.000 0.477 605 Y N 2.720 122.952 120.300 -0.113 0.000 2.638 605 Y HA 0.738 5.288 4.550 -0.000 0.000 0.339 605 Y C -0.403 175.502 175.900 0.008 0.000 1.084 605 Y CA -1.082 56.960 58.100 -0.096 0.000 1.068 605 Y CB 1.840 40.209 38.460 -0.151 0.000 1.294 605 Y HN 0.523 nan 8.280 nan 0.000 0.480 606 L N 0.596 121.846 121.223 0.045 0.000 2.362 606 L HA 0.878 5.218 4.340 -0.000 0.000 0.271 606 L C -0.552 176.184 176.870 -0.224 0.000 1.002 606 L CA 0.092 54.808 54.840 -0.206 0.000 0.818 606 L CB 2.142 43.972 42.059 -0.382 0.000 1.298 606 L HN 0.712 nan 8.230 nan 0.000 0.420 607 T N 2.322 116.724 114.554 -0.253 0.000 2.841 607 T HA 0.947 5.297 4.350 -0.000 0.000 0.296 607 T C -0.741 173.744 174.700 -0.360 0.000 1.166 607 T CA -0.056 61.915 62.100 -0.214 0.000 1.007 607 T CB 1.571 70.409 68.868 -0.050 0.000 1.253 607 T HN 1.142 nan 8.240 nan 0.000 0.511 608 G N 0.196 108.555 108.800 -0.734 0.000 2.342 608 G HA2 0.368 4.328 3.960 -0.000 0.000 0.297 608 G HA3 0.368 4.328 3.960 -0.000 0.000 0.297 608 G C 0.672 174.710 174.900 -1.436 0.000 1.313 608 G CA 0.406 44.738 45.100 -1.280 0.000 0.830 608 G HN 1.167 nan 8.290 nan 0.000 0.506 609 S N -1.634 113.474 115.700 -0.986 0.000 2.537 609 S HA 0.137 4.607 4.470 -0.000 0.000 0.240 609 S C 1.077 175.552 174.600 -0.209 0.000 0.981 609 S CA 1.408 59.368 58.200 -0.400 0.000 0.948 609 S CB -0.952 62.301 63.200 0.087 0.000 0.759 609 S HN 1.890 nan 8.310 nan 0.000 0.531 610 V N -1.222 118.561 119.914 -0.218 0.000 2.919 610 V HA 0.685 4.805 4.120 -0.000 0.000 0.316 610 V C 1.280 177.305 176.094 -0.115 0.000 1.077 610 V CA -0.428 61.808 62.300 -0.107 0.000 0.977 610 V CB 1.216 33.005 31.823 -0.057 0.000 1.039 610 V HN 0.226 nan 8.190 nan 0.000 0.441 611 S N 0.134 115.800 115.700 -0.056 0.000 2.400 611 S HA -0.201 4.269 4.470 -0.000 0.000 0.232 611 S C 1.341 175.907 174.600 -0.057 0.000 1.025 611 S CA 1.642 59.814 58.200 -0.046 0.000 0.993 611 S CB -0.651 62.546 63.200 -0.005 0.000 0.808 611 S HN 0.896 nan 8.310 nan 0.000 0.478 612 E N 0.777 120.947 120.200 -0.050 0.000 2.204 612 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 612 E C 0.972 177.526 176.600 -0.077 0.000 0.990 612 E CA 0.666 57.040 56.400 -0.044 0.000 0.821 612 E CB -0.196 29.494 29.700 -0.016 0.000 0.750 612 E HN 0.371 nan 8.360 nan 0.000 0.477 613 L N -1.102 120.043 121.223 -0.129 0.000 2.769 613 L HA 0.350 4.690 4.340 -0.000 0.000 0.240 613 L C 1.166 177.920 176.870 -0.194 0.000 1.163 613 L CA 0.667 55.389 54.840 -0.198 0.000 0.962 613 L CB 0.256 42.145 42.059 -0.284 0.000 1.258 613 L HN 0.198 nan 8.230 nan 0.000 0.513 614 G N -0.179 108.540 108.800 -0.134 0.000 2.159 614 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.256 614 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.256 614 G C 0.684 175.533 174.900 -0.085 0.000 0.977 614 G CA 0.159 45.203 45.100 -0.093 0.000 0.652 614 G HN 0.296 nan 8.290 nan 0.000 0.531 615 N N -1.128 117.471 118.700 -0.167 0.000 2.716 615 N HA -0.245 4.495 4.740 -0.000 0.000 0.250 615 N C 0.953 176.478 175.510 0.026 0.000 1.033 615 N CA 1.973 54.934 53.050 -0.148 0.000 0.727 615 N CB -1.577 36.904 38.487 -0.010 0.000 0.950 615 N HN 1.323 nan 8.380 nan 0.000 0.541 616 W N -3.163 118.196 121.300 0.099 0.000 2.062 616 W HA -0.250 4.410 4.660 -0.000 0.000 0.257 616 W C 0.285 176.920 176.519 0.195 0.000 1.024 616 W CA 0.317 57.768 57.345 0.178 0.000 0.471 616 W CB -1.431 28.096 29.460 0.113 0.000 2.039 616 W HN 0.249 nan 8.180 nan 0.000 1.321 617 D N 0.575 121.124 120.400 0.248 0.000 2.347 617 D HA 0.207 4.846 4.640 -0.000 0.000 0.235 617 D C -0.854 175.503 176.300 0.095 0.000 1.149 617 D CA -2.165 51.939 54.000 0.174 0.000 0.850 617 D CB 1.261 42.115 40.800 0.090 0.000 1.061 617 D HN -0.213 nan 8.370 nan 0.000 0.487 618 P HA -0.148 nan 4.420 nan 0.000 0.216 618 P C 1.015 178.241 177.300 -0.123 0.000 1.153 618 P CA 1.305 64.362 63.100 -0.073 0.000 0.858 618 P CB 0.098 31.747 31.700 -0.085 0.000 0.789 619 A N -0.506 122.278 122.820 -0.060 0.000 2.125 619 A HA -0.158 4.162 4.320 -0.000 0.000 0.219 619 A C 1.730 179.271 177.584 -0.071 0.000 1.156 619 A CA 1.429 53.421 52.037 -0.075 0.000 0.671 619 A CB -0.883 18.097 19.000 -0.034 0.000 0.794 619 A HN 0.237 nan 8.150 nan 0.000 0.459 620 K N -0.556 119.812 120.400 -0.054 0.000 2.478 620 K HA 0.417 4.737 4.320 -0.000 0.000 0.205 620 K C 0.235 176.804 176.600 -0.052 0.000 1.033 620 K CA 0.135 56.397 56.287 -0.042 0.000 1.091 620 K CB 0.716 33.200 32.500 -0.027 0.000 0.844 620 K HN 0.370 nan 8.250 nan 0.000 0.507 621 A N 1.356 124.124 122.820 -0.087 0.000 2.425 621 A HA 0.238 4.558 4.320 -0.000 0.000 0.242 621 A C 0.208 177.806 177.584 0.023 0.000 1.077 621 A CA -0.240 51.756 52.037 -0.068 0.000 0.781 621 A CB 0.162 19.093 19.000 -0.116 0.000 1.020 621 A HN 0.116 nan 8.150 nan 0.000 0.494 622 I N 1.226 121.790 120.570 -0.009 0.000 2.474 622 I HA 0.581 4.751 4.170 -0.000 0.000 0.287 622 I C 1.041 177.100 176.117 -0.098 0.000 1.048 622 I CA 1.075 62.351 61.300 -0.041 0.000 1.383 622 I CB -0.224 37.706 38.000 -0.116 0.000 1.412 622 I HN 1.047 nan 8.210 nan 0.000 0.531 623 G N 7.431 116.068 108.800 -0.271 0.000 2.340 623 G HA2 0.159 4.119 3.960 -0.000 0.000 0.282 623 G HA3 0.159 4.119 3.960 -0.000 0.000 0.282 623 G C -3.224 171.450 174.900 -0.376 0.000 1.312 623 G CA -0.872 43.822 45.100 -0.677 0.000 0.942 623 G HN 0.395 nan 8.290 nan 0.000 0.495 624 P HA 0.431 nan 4.420 nan 0.000 0.272 624 P C 0.458 177.370 177.300 -0.646 0.000 1.223 624 P CA -0.160 62.377 63.100 -0.938 0.000 0.784 624 P CB 0.353 31.765 31.700 -0.480 0.000 0.923 625 M N 0.999 120.290 119.600 -0.514 0.000 2.113 625 M HA 0.142 4.622 4.480 -0.000 0.000 0.288 625 M C 0.115 176.543 176.300 0.214 0.000 1.225 625 M CA 0.417 55.566 55.300 -0.252 0.000 1.148 625 M CB -0.100 32.516 32.600 0.026 0.000 1.388 625 M HN 0.245 nan 8.290 nan 0.000 0.469 626 Y N 1.514 121.804 120.300 -0.016 0.000 2.352 626 Y HA 0.247 4.797 4.550 -0.000 0.000 0.326 626 Y C 0.554 176.274 175.900 -0.301 0.000 1.166 626 Y CA -1.466 56.455 58.100 -0.299 0.000 1.182 626 Y CB 0.625 38.562 38.460 -0.872 0.000 1.216 626 Y HN 0.692 nan 8.280 nan 0.000 0.474 627 N N -0.770 117.873 118.700 -0.095 0.000 2.261 627 N HA 0.098 4.837 4.740 -0.000 0.000 0.241 627 N C -0.192 175.270 175.510 -0.079 0.000 1.374 627 N CA -0.049 52.885 53.050 -0.194 0.000 0.802 627 N CB 0.068 37.994 38.487 -0.934 0.000 1.339 627 N HN 0.575 nan 8.380 nan 0.000 0.498 628 Q N -0.245 119.558 119.800 0.004 0.000 2.525 628 Q HA 0.306 4.646 4.340 -0.000 0.000 0.203 628 Q C 1.388 177.368 176.000 -0.032 0.000 0.947 628 Q CA 0.719 56.494 55.803 -0.047 0.000 0.881 628 Q CB 0.480 29.161 28.738 -0.095 0.000 1.049 628 Q HN 0.092 nan 8.270 nan 0.000 0.600 629 V N 0.276 120.183 119.914 -0.012 0.000 2.239 629 V HA -0.170 3.950 4.120 -0.000 0.000 0.236 629 V C 2.064 178.000 176.094 -0.264 0.000 1.040 629 V CA 1.553 63.788 62.300 -0.109 0.000 0.996 629 V CB -0.627 31.139 31.823 -0.096 0.000 0.640 629 V HN 0.155 nan 8.190 nan 0.000 0.456 630 V N -1.751 117.862 119.914 -0.501 0.000 2.667 630 V HA -0.031 4.089 4.120 -0.000 0.000 0.252 630 V C 0.424 175.953 176.094 -0.943 0.000 1.065 630 V CA 1.195 63.000 62.300 -0.826 0.000 1.083 630 V CB -0.693 30.460 31.823 -1.116 0.000 0.692 630 V HN 0.527 nan 8.190 nan 0.000 0.468 631 Y N -1.355 118.614 120.300 -0.552 0.000 2.534 631 Y HA 0.666 5.216 4.550 -0.000 0.000 0.345 631 Y C -0.287 175.566 175.900 -0.079 0.000 1.031 631 Y CA -1.401 56.554 58.100 -0.242 0.000 1.022 631 Y CB 1.677 40.051 38.460 -0.145 0.000 1.292 631 Y HN -0.033 nan 8.280 nan 0.000 0.459 632 Q N 1.204 121.034 119.800 0.051 0.000 2.274 632 Q HA 0.320 4.660 4.340 -0.000 0.000 0.260 632 Q C -1.174 174.814 176.000 -0.021 0.000 0.974 632 Q CA -0.931 54.872 55.803 0.000 0.000 0.876 632 Q CB 1.426 30.150 28.738 -0.024 0.000 1.297 632 Q HN 0.589 nan 8.270 nan 0.000 0.446 633 Y N 4.413 124.562 120.300 -0.252 0.000 2.788 633 Y HA 0.008 4.558 4.550 -0.000 0.000 0.341 633 Y C -1.347 174.480 175.900 -0.122 0.000 1.258 633 Y CA -0.903 56.994 58.100 -0.338 0.000 1.503 633 Y CB 0.652 38.871 38.460 -0.402 0.000 1.325 633 Y HN 0.582 nan 8.280 nan 0.000 0.614 634 P HA 0.035 nan 4.420 nan 0.000 0.258 634 P C -1.114 176.007 177.300 -0.299 0.000 1.403 634 P CA 0.321 62.737 63.100 -1.140 0.000 0.826 634 P CB -0.096 31.120 31.700 -0.807 0.000 1.414 635 N N 0.653 119.242 118.700 -0.186 0.000 2.426 635 N HA 0.202 4.942 4.740 -0.000 0.000 0.275 635 N C -0.792 174.720 175.510 0.003 0.000 1.019 635 N CA -0.043 53.020 53.050 0.020 0.000 0.941 635 N CB 0.527 39.064 38.487 0.083 0.000 1.123 635 N HN 0.044 nan 8.380 nan 0.000 0.486 636 W N 2.324 123.623 121.300 -0.001 0.000 2.689 636 W HA 0.449 5.109 4.660 -0.000 0.000 0.340 636 W C -0.147 176.441 176.519 0.116 0.000 1.060 636 W CA -0.695 56.694 57.345 0.074 0.000 1.218 636 W CB 0.634 30.071 29.460 -0.039 0.000 1.410 636 W HN 0.413 nan 8.180 nan 0.000 0.528 637 Y N -0.079 120.367 120.300 0.244 0.000 2.638 637 Y HA 0.824 5.373 4.550 -0.000 0.000 0.339 637 Y C -1.950 174.162 175.900 0.352 0.000 1.084 637 Y CA -2.817 55.386 58.100 0.172 0.000 1.068 637 Y CB 1.613 40.085 38.460 0.020 0.000 1.294 637 Y HN 0.459 nan 8.280 nan 0.000 0.480 638 Y N 0.526 120.910 120.300 0.139 0.000 2.465 638 Y HA 0.296 4.846 4.550 -0.000 0.000 0.323 638 Y C -1.844 174.179 175.900 0.204 0.000 1.191 638 Y CA -1.404 56.701 58.100 0.008 0.000 1.082 638 Y CB 1.572 39.967 38.460 -0.109 0.000 1.334 638 Y HN 0.781 nan 8.280 nan 0.000 0.449 639 D N 4.385 124.655 120.400 -0.217 0.000 2.316 639 D HA 0.502 5.142 4.640 -0.000 0.000 0.245 639 D C -0.756 175.586 176.300 0.069 0.000 1.171 639 D CA 0.309 54.335 54.000 0.042 0.000 0.856 639 D CB 1.506 42.375 40.800 0.115 0.000 1.090 639 D HN 0.210 nan 8.370 nan 0.000 0.476 640 V N 1.053 121.115 119.914 0.248 0.000 2.735 640 V HA 0.358 4.478 4.120 -0.000 0.000 0.310 640 V C 0.262 176.486 176.094 0.217 0.000 1.061 640 V CA -0.990 61.448 62.300 0.230 0.000 0.913 640 V CB 2.174 34.102 31.823 0.175 0.000 1.005 640 V HN 0.431 nan 8.190 nan 0.000 0.428 641 S N 2.711 118.497 115.700 0.144 0.000 2.465 641 S HA 0.662 5.132 4.470 -0.000 0.000 0.279 641 S C -0.490 174.170 174.600 0.100 0.000 1.201 641 S CA -0.403 57.858 58.200 0.102 0.000 1.053 641 S CB 0.429 63.655 63.200 0.044 0.000 0.953 641 S HN 1.084 nan 8.310 nan 0.000 0.488 642 V N 3.072 123.060 119.914 0.122 0.000 3.040 642 V HA 0.793 4.913 4.120 -0.000 0.000 0.312 642 V C -2.943 173.193 176.094 0.069 0.000 1.115 642 V CA -3.012 59.358 62.300 0.118 0.000 0.998 642 V CB 1.487 33.449 31.823 0.231 0.000 1.042 642 V HN 0.600 nan 8.190 nan 0.000 0.433 643 P HA 0.278 nan 4.420 nan 0.000 0.267 643 P C -0.145 177.158 177.300 0.006 0.000 1.205 643 P CA 0.541 63.648 63.100 0.011 0.000 0.765 643 P CB 0.439 32.137 31.700 -0.003 0.000 0.828 644 A N 3.465 126.288 122.820 0.006 0.000 2.401 644 A HA 0.498 4.818 4.320 -0.000 0.000 0.259 644 A C 1.510 179.086 177.584 -0.014 0.000 1.103 644 A CA 0.357 52.398 52.037 0.007 0.000 0.789 644 A CB -0.952 18.056 19.000 0.013 0.000 1.035 644 A HN 0.828 nan 8.150 nan 0.000 0.491 645 G N 1.361 110.148 108.800 -0.021 0.000 2.166 645 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.260 645 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.260 645 G C 0.243 175.104 174.900 -0.066 0.000 0.986 645 G CA 0.951 46.030 45.100 -0.035 0.000 0.683 645 G HN 0.813 nan 8.290 nan 0.000 0.527 646 K N 0.341 120.683 120.400 -0.098 0.000 2.110 646 K HA 0.484 4.804 4.320 -0.000 0.000 0.263 646 K C -0.107 176.372 176.600 -0.202 0.000 0.975 646 K CA -0.400 55.821 56.287 -0.110 0.000 0.895 646 K CB 1.171 33.626 32.500 -0.075 0.000 1.060 646 K HN 0.068 nan 8.250 nan 0.000 0.448 647 T N 3.108 117.580 114.554 -0.137 0.000 2.728 647 T HA 0.383 4.733 4.350 -0.000 0.000 0.296 647 T C 0.172 174.817 174.700 -0.092 0.000 0.940 647 T CA -0.297 61.719 62.100 -0.139 0.000 1.013 647 T CB -0.007 68.832 68.868 -0.047 0.000 0.912 647 T HN 0.314 nan 8.240 nan 0.000 0.484 648 I N 2.715 123.212 120.570 -0.121 0.000 2.509 648 I HA 0.379 4.549 4.170 -0.000 0.000 0.293 648 I C 0.202 176.520 176.117 0.334 0.000 1.020 648 I CA -0.855 60.486 61.300 0.067 0.000 1.088 648 I CB 2.384 40.407 38.000 0.038 0.000 1.267 648 I HN 0.460 nan 8.210 nan 0.000 0.430 649 E N 5.456 125.847 120.200 0.318 0.000 2.175 649 E HA 0.587 4.937 4.350 -0.000 0.000 0.278 649 E C -1.437 175.417 176.600 0.424 0.000 0.969 649 E CA -0.527 56.117 56.400 0.407 0.000 0.796 649 E CB 1.926 31.888 29.700 0.436 0.000 1.104 649 E HN 0.396 nan 8.360 nan 0.000 0.395 650 F N 0.517 120.649 119.950 0.304 0.000 2.664 650 F HA 0.757 5.284 4.527 -0.000 0.000 0.317 650 F C -1.014 174.982 175.800 0.327 0.000 1.108 650 F CA -1.228 56.847 58.000 0.125 0.000 0.957 650 F CB 1.381 40.365 39.000 -0.027 0.000 1.365 650 F HN 0.173 nan 8.300 nan 0.000 0.475 651 K N 0.386 120.966 120.400 0.300 0.000 2.556 651 K HA 0.651 4.971 4.320 -0.000 0.000 0.274 651 K C -2.167 174.375 176.600 -0.096 0.000 0.966 651 K CA -0.522 55.917 56.287 0.254 0.000 0.865 651 K CB 2.072 34.898 32.500 0.543 0.000 1.444 651 K HN 0.584 nan 8.250 nan 0.000 0.433 652 F N 2.607 122.673 119.950 0.193 0.000 2.440 652 F HA 0.629 5.156 4.527 -0.000 0.000 0.328 652 F C -0.206 175.617 175.800 0.037 0.000 1.070 652 F CA -0.658 57.422 58.000 0.134 0.000 1.011 652 F CB 1.219 40.360 39.000 0.235 0.000 1.226 652 F HN 0.270 nan 8.300 nan 0.000 0.491 653 L N -0.647 120.758 121.223 0.304 0.000 2.469 653 L HA 0.686 5.025 4.340 -0.000 0.000 0.256 653 L C -1.550 175.441 176.870 0.202 0.000 1.006 653 L CA -1.249 53.665 54.840 0.123 0.000 0.832 653 L CB 2.255 44.056 42.059 -0.429 0.000 1.421 653 L HN 0.408 nan 8.230 nan 0.000 0.410 654 K N 1.749 122.232 120.400 0.139 0.000 2.265 654 K HA 0.577 4.897 4.320 -0.000 0.000 0.267 654 K C -1.163 175.432 176.600 -0.009 0.000 0.994 654 K CA -0.659 55.644 56.287 0.026 0.000 0.860 654 K CB 2.077 34.549 32.500 -0.046 0.000 1.099 654 K HN 0.512 nan 8.250 nan 0.000 0.448 655 K N 2.038 122.460 120.400 0.036 0.000 2.259 655 K HA 0.277 4.597 4.320 -0.000 0.000 0.249 655 K C -0.934 175.684 176.600 0.031 0.000 0.942 655 K CA -0.793 55.460 56.287 -0.055 0.000 0.816 655 K CB 2.192 34.486 32.500 -0.344 0.000 1.155 655 K HN 0.411 nan 8.250 nan 0.000 0.428 656 Q N 1.504 121.300 119.800 -0.007 0.000 2.350 656 Q HA 0.311 4.651 4.340 -0.000 0.000 0.255 656 Q C -0.066 175.933 176.000 -0.001 0.000 0.951 656 Q CA -0.010 55.804 55.803 0.019 0.000 0.751 656 Q CB 1.291 30.042 28.738 0.021 0.000 1.296 656 Q HN 0.866 nan 8.270 nan 0.000 0.453 657 G N 2.142 110.945 108.800 0.006 0.000 2.561 657 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.289 657 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.289 657 G C 0.436 175.311 174.900 -0.042 0.000 1.169 657 G CA 0.449 45.545 45.100 -0.006 0.000 0.980 657 G HN 1.139 nan 8.290 nan 0.000 0.550 658 S N -0.731 114.947 115.700 -0.036 0.000 2.572 658 S HA 0.478 4.947 4.470 -0.000 0.000 0.228 658 S C 0.616 175.188 174.600 -0.046 0.000 0.963 658 S CA 1.088 59.256 58.200 -0.054 0.000 0.939 658 S CB 0.425 63.603 63.200 -0.035 0.000 0.804 658 S HN 0.926 nan 8.310 nan 0.000 0.480 659 T N 2.287 116.821 114.554 -0.034 0.000 2.743 659 T HA 0.522 4.872 4.350 -0.000 0.000 0.293 659 T C -0.554 174.122 174.700 -0.040 0.000 0.945 659 T CA -0.279 61.811 62.100 -0.017 0.000 1.030 659 T CB 1.493 70.363 68.868 0.002 0.000 0.912 659 T HN 0.204 nan 8.240 nan 0.000 0.483 660 V N 3.968 123.861 119.914 -0.035 0.000 2.667 660 V HA 0.694 4.814 4.120 -0.000 0.000 0.308 660 V C -0.388 175.693 176.094 -0.021 0.000 1.048 660 V CA -0.313 61.933 62.300 -0.090 0.000 0.928 660 V CB 2.268 33.980 31.823 -0.184 0.000 1.004 660 V HN 0.978 nan 8.190 nan 0.000 0.444 661 T N 5.379 119.903 114.554 -0.049 0.000 2.840 661 T HA 0.422 4.772 4.350 -0.000 0.000 0.287 661 T C -1.105 173.631 174.700 0.060 0.000 0.991 661 T CA -0.123 62.033 62.100 0.094 0.000 0.964 661 T CB 0.792 69.748 68.868 0.147 0.000 0.954 661 T HN 0.640 nan 8.240 nan 0.000 0.438 662 W N 1.898 123.280 121.300 0.136 0.000 2.313 662 W HA 0.386 5.046 4.660 -0.000 0.000 0.328 662 W C 0.969 177.483 176.519 -0.008 0.000 1.197 662 W CA -0.698 56.692 57.345 0.075 0.000 1.235 662 W CB 0.441 29.900 29.460 -0.002 0.000 1.158 662 W HN 0.596 nan 8.180 nan 0.000 0.578 663 E N 0.962 121.125 120.200 -0.062 0.000 2.413 663 E HA 0.199 4.549 4.350 -0.000 0.000 0.263 663 E C 0.670 177.146 176.600 -0.207 0.000 1.015 663 E CA 0.046 56.056 56.400 -0.651 0.000 0.916 663 E CB 0.637 29.918 29.700 -0.699 0.000 0.947 663 E HN 0.643 nan 8.360 nan 0.000 0.440 664 G N 1.259 109.925 108.800 -0.225 0.000 2.543 664 G HA2 0.534 4.494 3.960 -0.000 0.000 0.290 664 G HA3 0.534 4.494 3.960 -0.000 0.000 0.290 664 G C 0.271 175.069 174.900 -0.170 0.000 1.310 664 G CA 0.089 45.123 45.100 -0.111 0.000 1.025 664 G HN 0.851 nan 8.290 nan 0.000 0.502 665 G N -0.965 107.754 108.800 -0.135 0.000 2.542 665 G HA2 0.214 4.174 3.960 -0.000 0.000 0.235 665 G HA3 0.214 4.174 3.960 -0.000 0.000 0.235 665 G C 0.288 175.078 174.900 -0.184 0.000 1.286 665 G CA 0.598 45.604 45.100 -0.156 0.000 0.904 665 G HN 2.048 nan 8.290 nan 0.000 0.577 666 S N 0.024 115.600 115.700 -0.208 0.000 2.681 666 S HA 0.687 5.157 4.470 -0.000 0.000 0.299 666 S C 0.123 174.568 174.600 -0.258 0.000 1.113 666 S CA -0.534 57.546 58.200 -0.200 0.000 1.013 666 S CB 1.567 64.677 63.200 -0.150 0.000 1.076 666 S HN 0.927 nan 8.310 nan 0.000 0.534 667 N N 1.935 120.524 118.700 -0.185 0.000 2.395 667 N HA 0.085 4.825 4.740 -0.000 0.000 0.246 667 N C -0.029 175.347 175.510 -0.224 0.000 1.246 667 N CA 0.382 53.355 53.050 -0.128 0.000 0.879 667 N CB -0.167 38.356 38.487 0.059 0.000 1.098 667 N HN 0.615 nan 8.380 nan 0.000 0.444 668 H N 0.224 119.098 119.070 -0.328 0.000 2.547 668 H HA 0.367 4.923 4.556 -0.000 0.000 0.362 668 H C 0.046 175.148 175.328 -0.377 0.000 1.181 668 H CA 0.272 56.017 56.048 -0.505 0.000 1.376 668 H CB 0.983 30.079 29.762 -1.111 0.000 1.488 668 H HN 0.367 nan 8.280 nan 0.000 0.583 669 T N 1.853 116.451 114.554 0.073 0.000 2.896 669 T HA 0.481 4.831 4.350 -0.000 0.000 0.297 669 T C -1.059 173.997 174.700 0.593 0.000 1.108 669 T CA -0.744 61.547 62.100 0.319 0.000 1.004 669 T CB 1.653 70.636 68.868 0.191 0.000 1.159 669 T HN 0.554 nan 8.240 nan 0.000 0.499 670 F N -0.898 119.254 119.950 0.337 0.000 2.769 670 F HA 0.628 5.155 4.527 -0.000 0.000 0.313 670 F C -1.897 174.005 175.800 0.170 0.000 1.146 670 F CA -0.789 57.361 58.000 0.251 0.000 0.934 670 F CB 0.701 39.866 39.000 0.275 0.000 1.283 670 F HN 0.474 nan 8.300 nan 0.000 0.443 671 T N 2.910 117.266 114.554 -0.330 0.000 2.792 671 T HA 0.786 5.136 4.350 -0.000 0.000 0.280 671 T C -0.119 174.339 174.700 -0.402 0.000 0.990 671 T CA -0.116 61.733 62.100 -0.418 0.000 0.960 671 T CB 1.271 70.070 68.868 -0.115 0.000 0.939 671 T HN 0.943 nan 8.240 nan 0.000 0.439 672 A N 5.482 128.010 122.820 -0.487 0.000 2.425 672 A HA 0.621 4.941 4.320 -0.000 0.000 0.249 672 A C -2.167 175.416 177.584 -0.001 0.000 1.084 672 A CA -1.354 50.606 52.037 -0.129 0.000 0.781 672 A CB -0.294 18.646 19.000 -0.101 0.000 1.019 672 A HN 0.497 nan 8.150 nan 0.000 0.490 673 P HA 0.113 nan 4.420 nan 0.000 0.271 673 P C 0.558 177.883 177.300 0.042 0.000 1.233 673 P CA -0.029 63.110 63.100 0.065 0.000 0.789 673 P CB 0.601 32.352 31.700 0.085 0.000 0.951 674 S N -1.049 114.672 115.700 0.035 0.000 2.470 674 S HA 0.076 4.546 4.470 -0.000 0.000 0.225 674 S C 0.790 175.408 174.600 0.030 0.000 1.006 674 S CA 0.639 58.854 58.200 0.024 0.000 0.934 674 S CB -0.275 62.937 63.200 0.020 0.000 0.778 674 S HN 0.777 nan 8.310 nan 0.000 0.517 675 S N -1.411 114.315 115.700 0.044 0.000 2.615 675 S HA 0.643 5.113 4.470 -0.000 0.000 0.268 675 S C -0.063 174.580 174.600 0.072 0.000 1.146 675 S CA -0.390 57.840 58.200 0.051 0.000 0.818 675 S CB 0.745 63.968 63.200 0.038 0.000 1.111 675 S HN 0.970 nan 8.310 nan 0.000 0.465 676 G N 0.749 109.604 108.800 0.092 0.000 2.645 676 G HA2 0.227 4.187 3.960 -0.000 0.000 0.239 676 G HA3 0.227 4.187 3.960 -0.000 0.000 0.239 676 G C 0.016 174.995 174.900 0.130 0.000 1.331 676 G CA 0.567 45.735 45.100 0.114 0.000 0.890 676 G HN 2.365 nan 8.290 nan 0.000 0.572 677 T N -2.599 112.032 114.554 0.128 0.000 2.905 677 T HA 1.048 5.398 4.350 -0.000 0.000 0.283 677 T C 0.127 174.884 174.700 0.095 0.000 1.031 677 T CA 0.495 62.675 62.100 0.135 0.000 1.002 677 T CB 1.823 70.788 68.868 0.162 0.000 1.200 677 T HN 2.661 nan 8.240 nan 0.000 0.560 678 A N -0.136 122.728 122.820 0.072 0.000 2.599 678 A HA 0.753 5.073 4.320 -0.000 0.000 0.290 678 A C -0.863 176.699 177.584 -0.038 0.000 1.101 678 A CA -0.934 51.119 52.037 0.026 0.000 0.674 678 A CB 1.285 20.308 19.000 0.038 0.000 1.277 678 A HN 0.898 nan 8.150 nan 0.000 0.419 679 T N 1.410 115.920 114.554 -0.075 0.000 2.906 679 T HA 0.533 4.883 4.350 -0.000 0.000 0.302 679 T C -0.768 173.806 174.700 -0.210 0.000 1.002 679 T CA 0.060 62.083 62.100 -0.128 0.000 0.988 679 T CB 0.173 69.024 68.868 -0.028 0.000 0.972 679 T HN 0.467 nan 8.240 nan 0.000 0.447 680 I N 3.635 123.960 120.570 -0.408 0.000 2.331 680 I HA 0.448 4.618 4.170 -0.000 0.000 0.292 680 I C 0.238 176.230 176.117 -0.208 0.000 0.998 680 I CA -0.716 60.349 61.300 -0.391 0.000 1.267 680 I CB 0.857 38.358 38.000 -0.831 0.000 1.386 680 I HN 0.356 nan 8.210 nan 0.000 0.476 681 N N 6.452 125.100 118.700 -0.086 0.000 2.399 681 N HA 0.657 5.397 4.740 -0.000 0.000 0.280 681 N C -1.112 174.410 175.510 0.020 0.000 1.008 681 N CA -0.328 52.693 53.050 -0.048 0.000 0.894 681 N CB 2.138 40.601 38.487 -0.040 0.000 1.273 681 N HN 0.528 nan 8.380 nan 0.000 0.486 682 V N 0.996 120.926 119.914 0.028 0.000 3.181 682 V HA 0.690 4.810 4.120 -0.000 0.000 0.308 682 V C -0.896 175.235 176.094 0.061 0.000 1.214 682 V CA -1.042 61.297 62.300 0.064 0.000 1.053 682 V CB 2.136 33.968 31.823 0.016 0.000 1.069 682 V HN 0.513 nan 8.190 nan 0.000 0.441 683 N N 1.936 120.724 118.700 0.146 0.000 2.430 683 N HA 0.249 4.989 4.740 -0.000 0.000 0.292 683 N C -0.782 174.893 175.510 0.275 0.000 1.051 683 N CA -0.270 52.883 53.050 0.172 0.000 0.917 683 N CB 1.951 40.531 38.487 0.155 0.000 1.164 683 N HN 1.010 nan 8.380 nan 0.000 0.484 684 W N 2.769 124.097 121.300 0.046 0.000 2.264 684 W HA 0.030 4.690 4.660 -0.000 0.000 0.331 684 W C -0.779 175.816 176.519 0.127 0.000 1.364 684 W CA 0.134 57.535 57.345 0.094 0.000 1.253 684 W CB 0.299 29.756 29.460 -0.005 0.000 1.215 684 W HN 0.451 nan 8.180 nan 0.000 0.561 685 Q N 7.988 127.604 119.800 -0.307 0.000 2.278 685 Q HA 0.297 4.637 4.340 -0.000 0.000 0.257 685 Q C -1.911 173.913 176.000 -0.293 0.000 0.928 685 Q CA -1.754 53.930 55.803 -0.198 0.000 0.932 685 Q CB 1.556 30.178 28.738 -0.193 0.000 1.221 685 Q HN 0.216 nan 8.270 nan 0.000 0.434 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.234 63.100 0.224 0.000 0.800 686 P CB 0.000 31.846 31.700 0.244 0.000 0.726