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 2cxg_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 YKNLYDLADL 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 0.000 177.566 177.584 -0.030 0.000 1.274 1 A CA 0.000 52.022 52.037 -0.025 0.000 0.836 1 A CB 0.000 18.974 19.000 -0.042 0.000 0.831 2 P HA 0.082 nan 4.420 nan 0.000 0.269 2 P C 0.239 177.507 177.300 -0.053 0.000 1.211 2 P CA 0.466 63.543 63.100 -0.039 0.000 0.781 2 P CB 0.500 32.171 31.700 -0.048 0.000 0.877 3 D N 0.187 120.561 120.400 -0.044 0.000 2.309 3 D HA -0.147 4.493 4.640 -0.000 0.000 0.212 3 D C 1.041 177.283 176.300 -0.097 0.000 0.968 3 D CA 1.754 55.725 54.000 -0.047 0.000 0.882 3 D CB -1.259 39.546 40.800 0.008 0.000 0.918 3 D HN 0.451 nan 8.370 nan 0.000 0.503 4 T N -2.624 111.866 114.554 -0.107 0.000 3.067 4 T HA 0.001 4.351 4.350 -0.000 0.000 0.257 4 T C 1.187 175.793 174.700 -0.157 0.000 1.105 4 T CA 0.186 62.198 62.100 -0.147 0.000 1.104 4 T CB -0.335 68.454 68.868 -0.132 0.000 0.925 4 T HN 0.206 nan 8.240 nan 0.000 0.498 5 S N 0.956 116.578 115.700 -0.131 0.000 2.558 5 S HA 0.049 4.519 4.470 -0.000 0.000 0.287 5 S C 1.522 176.017 174.600 -0.175 0.000 1.321 5 S CA -0.107 58.014 58.200 -0.132 0.000 1.048 5 S CB 1.064 64.200 63.200 -0.107 0.000 0.844 5 S HN 0.289 nan 8.310 nan 0.000 0.512 6 V N 4.085 123.896 119.914 -0.172 0.000 2.913 6 V HA -0.055 4.065 4.120 -0.000 0.000 0.260 6 V C 2.170 178.121 176.094 -0.238 0.000 1.098 6 V CA 2.458 64.636 62.300 -0.203 0.000 1.121 6 V CB -1.010 30.717 31.823 -0.159 0.000 0.714 6 V HN 1.059 nan 8.190 nan 0.000 0.487 7 S N -0.132 115.444 115.700 -0.208 0.000 2.561 7 S HA 0.003 4.473 4.470 -0.000 0.000 0.225 7 S C 1.199 175.719 174.600 -0.133 0.000 0.977 7 S CA 0.470 58.555 58.200 -0.192 0.000 0.926 7 S CB -0.758 62.352 63.200 -0.151 0.000 0.769 7 S HN 0.616 nan 8.310 nan 0.000 0.533 8 N N 2.888 121.497 118.700 -0.151 0.000 2.819 8 N HA 0.111 4.851 4.740 -0.000 0.000 0.284 8 N C 0.189 175.645 175.510 -0.090 0.000 1.196 8 N CA 0.031 53.009 53.050 -0.120 0.000 1.114 8 N CB 0.082 38.476 38.487 -0.154 0.000 1.437 8 N HN 0.532 nan 8.380 nan 0.000 0.518 9 K N 1.109 121.529 120.400 0.035 0.000 2.569 9 K HA -0.014 4.306 4.320 -0.000 0.000 0.193 9 K C 0.511 177.312 176.600 0.335 0.000 1.026 9 K CA 0.462 56.883 56.287 0.223 0.000 1.093 9 K CB 0.420 33.040 32.500 0.201 0.000 0.849 9 K HN 0.313 nan 8.250 nan 0.000 0.509 10 Q N 0.086 120.022 119.800 0.226 0.000 2.280 10 Q HA 0.137 4.477 4.340 -0.000 0.000 0.228 10 Q C -0.449 175.729 176.000 0.297 0.000 0.857 10 Q CA 0.064 56.041 55.803 0.290 0.000 0.939 10 Q CB 0.731 29.591 28.738 0.203 0.000 1.114 10 Q HN 0.098 nan 8.270 nan 0.000 0.514 11 N N -0.696 118.045 118.700 0.069 0.000 2.371 11 N HA 0.242 4.982 4.740 -0.000 0.000 0.291 11 N C -1.354 173.933 175.510 -0.372 0.000 1.053 11 N CA -0.308 52.578 53.050 -0.272 0.000 0.870 11 N CB 0.740 38.984 38.487 -0.405 0.000 1.503 11 N HN -0.109 nan 8.380 nan 0.000 0.485 12 F N 0.801 120.287 119.950 -0.774 0.000 2.729 12 F HA 0.286 4.813 4.527 -0.000 0.000 0.315 12 F C 1.814 177.289 175.800 -0.542 0.000 1.102 12 F CA -0.115 57.462 58.000 -0.705 0.000 1.204 12 F CB 0.448 38.822 39.000 -1.043 0.000 1.052 12 F HN 0.412 nan 8.300 nan 0.000 0.551 13 S N -0.602 114.879 115.700 -0.366 0.000 2.447 13 S HA -0.155 4.315 4.470 -0.000 0.000 0.233 13 S C 2.155 176.539 174.600 -0.360 0.000 1.006 13 S CA 1.761 59.781 58.200 -0.300 0.000 0.957 13 S CB -0.473 62.608 63.200 -0.198 0.000 0.773 13 S HN 0.529 nan 8.310 nan 0.000 0.507 14 T N -0.667 113.658 114.554 -0.382 0.000 3.086 14 T HA 0.149 4.499 4.350 -0.000 0.000 0.250 14 T C 0.145 174.674 174.700 -0.284 0.000 1.074 14 T CA -0.298 61.585 62.100 -0.361 0.000 0.988 14 T CB 0.025 68.679 68.868 -0.357 0.000 0.988 14 T HN 0.106 nan 8.240 nan 0.000 0.530 15 D N 0.777 121.014 120.400 -0.272 0.000 2.385 15 D HA 0.508 5.148 4.640 -0.000 0.000 0.254 15 D C -0.887 175.340 176.300 -0.122 0.000 1.053 15 D CA -0.504 53.373 54.000 -0.205 0.000 0.992 15 D CB 2.474 43.128 40.800 -0.244 0.000 1.145 15 D HN 0.029 nan 8.370 nan 0.000 0.523 16 V N 1.887 121.761 119.914 -0.067 0.000 2.380 16 V HA 0.275 4.395 4.120 -0.000 0.000 0.286 16 V C 0.210 176.346 176.094 0.069 0.000 1.015 16 V CA -0.646 61.642 62.300 -0.021 0.000 0.834 16 V CB 1.253 33.046 31.823 -0.050 0.000 1.009 16 V HN 0.359 nan 8.190 nan 0.000 0.428 17 I N 4.400 125.044 120.570 0.123 0.000 2.575 17 I HA 0.256 4.426 4.170 -0.000 0.000 0.285 17 I C -0.664 175.612 176.117 0.264 0.000 1.085 17 I CA -0.269 61.168 61.300 0.228 0.000 1.403 17 I CB 0.603 38.762 38.000 0.265 0.000 1.409 17 I HN 0.586 nan 8.210 nan 0.000 0.557 18 Y N 6.047 126.428 120.300 0.136 0.000 2.447 18 Y HA 0.217 4.767 4.550 -0.000 0.000 0.325 18 Y C -0.005 175.937 175.900 0.070 0.000 0.976 18 Y CA -0.654 57.497 58.100 0.084 0.000 1.280 18 Y CB 0.870 39.357 38.460 0.044 0.000 1.104 18 Y HN 0.507 nan 8.280 nan 0.000 0.486 19 Q N 6.861 126.511 119.800 -0.250 0.000 2.296 19 Q HA 0.377 4.717 4.340 -0.000 0.000 0.263 19 Q C -1.199 174.540 176.000 -0.435 0.000 1.026 19 Q CA 0.001 55.573 55.803 -0.386 0.000 0.912 19 Q CB 0.455 28.861 28.738 -0.553 0.000 1.198 19 Q HN 0.764 nan 8.270 nan 0.000 0.407 20 I N 4.034 124.360 120.570 -0.406 0.000 2.404 20 I HA 0.222 4.392 4.170 -0.000 0.000 0.293 20 I C -0.725 175.232 176.117 -0.267 0.000 0.992 20 I CA -0.834 60.192 61.300 -0.457 0.000 1.149 20 I CB 1.105 38.764 38.000 -0.570 0.000 1.315 20 I HN 0.590 nan 8.210 nan 0.000 0.446 21 F N 5.326 124.919 119.950 -0.596 0.000 2.451 21 F HA 0.182 4.709 4.527 -0.000 0.000 0.356 21 F C 1.702 177.287 175.800 -0.358 0.000 1.178 21 F CA -0.391 57.379 58.000 -0.383 0.000 1.210 21 F CB 0.148 39.025 39.000 -0.205 0.000 1.504 21 F HN 0.547 nan 8.300 nan 0.000 0.598 22 T N 0.879 115.254 114.554 -0.297 0.000 2.656 22 T HA -0.393 3.957 4.350 -0.000 0.000 0.262 22 T C 1.719 176.357 174.700 -0.104 0.000 1.070 22 T CA 2.354 64.292 62.100 -0.271 0.000 1.160 22 T CB -0.322 68.158 68.868 -0.646 0.000 0.855 22 T HN 0.530 nan 8.240 nan 0.000 0.456 23 D N 0.440 120.800 120.400 -0.067 0.000 2.144 23 D HA -0.097 4.543 4.640 -0.000 0.000 0.199 23 D C 2.014 178.381 176.300 0.111 0.000 0.984 23 D CA 0.806 54.876 54.000 0.117 0.000 0.834 23 D CB 0.072 40.995 40.800 0.204 0.000 0.955 23 D HN 0.180 nan 8.370 nan 0.000 0.465 24 R N -0.431 120.119 120.500 0.084 0.000 2.356 24 R HA 0.076 4.415 4.340 -0.000 0.000 0.234 24 R C 0.952 177.292 176.300 0.067 0.000 0.929 24 R CA -0.120 56.019 56.100 0.065 0.000 1.084 24 R CB -0.358 30.012 30.300 0.117 0.000 1.105 24 R HN 0.286 nan 8.270 nan 0.000 0.515 25 F N 0.658 120.541 119.950 -0.112 0.000 2.213 25 F HA 0.219 4.746 4.527 -0.000 0.000 0.272 25 F C 0.602 176.484 175.800 0.136 0.000 1.095 25 F CA 0.155 58.146 58.000 -0.016 0.000 1.128 25 F CB 0.094 39.090 39.000 -0.007 0.000 1.091 25 F HN -0.166 nan 8.300 nan 0.000 0.530 26 S N -0.394 115.398 115.700 0.153 0.000 2.562 26 S HA 0.230 4.700 4.470 -0.000 0.000 0.274 26 S C -1.815 172.846 174.600 0.101 0.000 1.160 26 S CA -0.820 57.419 58.200 0.064 0.000 0.933 26 S CB 0.962 64.127 63.200 -0.058 0.000 1.100 26 S HN 0.214 nan 8.310 nan 0.000 0.468 27 D N 3.481 123.934 120.400 0.089 0.000 2.468 27 D HA 0.397 5.037 4.640 -0.000 0.000 0.218 27 D C 1.187 177.527 176.300 0.067 0.000 1.155 27 D CA -0.006 54.051 54.000 0.094 0.000 0.924 27 D CB 0.562 41.430 40.800 0.113 0.000 1.029 27 D HN 0.727 nan 8.370 nan 0.000 0.515 28 G N 3.040 111.881 108.800 0.068 0.000 2.777 28 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.211 28 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.211 28 G C 0.662 175.590 174.900 0.047 0.000 1.149 28 G CA -0.214 44.918 45.100 0.053 0.000 0.785 28 G HN 0.462 nan 8.290 nan 0.000 0.536 29 N N -0.540 118.188 118.700 0.046 0.000 2.594 29 N HA 0.328 5.068 4.740 -0.000 0.000 0.280 29 N C -2.423 173.088 175.510 0.002 0.000 1.156 29 N CA -1.829 51.237 53.050 0.026 0.000 0.831 29 N CB 2.336 40.844 38.487 0.035 0.000 1.379 29 N HN -0.250 nan 8.380 nan 0.000 0.536 30 P HA 0.105 nan 4.420 nan 0.000 0.231 30 P C 0.844 178.086 177.300 -0.097 0.000 1.168 30 P CA 0.434 63.505 63.100 -0.049 0.000 0.779 30 P CB 0.269 31.950 31.700 -0.031 0.000 0.844 31 A N 1.239 124.019 122.820 -0.067 0.000 2.121 31 A HA -0.165 4.155 4.320 -0.000 0.000 0.218 31 A C 1.672 179.195 177.584 -0.101 0.000 1.154 31 A CA 1.594 53.584 52.037 -0.078 0.000 0.679 31 A CB -1.253 17.720 19.000 -0.046 0.000 0.795 31 A HN 0.318 nan 8.150 nan 0.000 0.458 32 N N -0.761 117.878 118.700 -0.101 0.000 2.236 32 N HA 0.040 4.780 4.740 -0.000 0.000 0.196 32 N C -0.613 174.786 175.510 -0.185 0.000 1.114 32 N CA -0.380 52.598 53.050 -0.121 0.000 0.859 32 N CB -0.557 37.881 38.487 -0.082 0.000 0.982 32 N HN 0.137 nan 8.380 nan 0.000 0.493 33 N N 2.549 121.103 118.700 -0.243 0.000 2.492 33 N HA 0.197 4.937 4.740 -0.000 0.000 0.262 33 N C -2.181 173.044 175.510 -0.475 0.000 1.202 33 N CA -0.936 51.870 53.050 -0.407 0.000 0.926 33 N CB 0.317 38.382 38.487 -0.703 0.000 1.078 33 N HN 0.240 nan 8.380 nan 0.000 0.454 34 P HA 0.155 nan 4.420 nan 0.000 0.274 34 P C -0.267 176.871 177.300 -0.270 0.000 1.264 34 P CA -0.218 62.707 63.100 -0.292 0.000 0.795 34 P CB 0.385 31.931 31.700 -0.257 0.000 1.064 35 T N -4.804 109.693 114.554 -0.094 0.000 2.883 35 T HA 0.677 5.027 4.350 -0.000 0.000 0.296 35 T C 0.260 175.000 174.700 0.067 0.000 1.117 35 T CA -0.040 62.043 62.100 -0.028 0.000 1.006 35 T CB 1.467 70.285 68.868 -0.083 0.000 1.191 35 T HN 0.804 nan 8.240 nan 0.000 0.508 36 G N 0.901 109.756 108.800 0.091 0.000 2.498 36 G HA2 0.147 4.107 3.960 -0.000 0.000 0.245 36 G HA3 0.147 4.107 3.960 -0.000 0.000 0.245 36 G C 0.898 175.869 174.900 0.117 0.000 1.204 36 G CA 0.164 45.315 45.100 0.085 0.000 0.933 36 G HN 1.891 nan 8.290 nan 0.000 0.574 37 A N 0.018 122.894 122.820 0.092 0.000 2.252 37 A HA 0.600 4.920 4.320 -0.000 0.000 0.207 37 A C 2.239 179.895 177.584 0.120 0.000 1.194 37 A CA 2.062 54.153 52.037 0.090 0.000 0.809 37 A CB -0.643 18.398 19.000 0.068 0.000 0.814 37 A HN 2.230 nan 8.150 nan 0.000 0.482 38 A N -1.648 121.271 122.820 0.167 0.000 2.288 38 A HA 0.543 4.863 4.320 -0.000 0.000 0.216 38 A C 0.230 178.007 177.584 0.321 0.000 1.199 38 A CA -0.084 52.095 52.037 0.237 0.000 0.891 38 A CB 0.034 19.178 19.000 0.240 0.000 0.923 38 A HN 0.432 nan 8.150 nan 0.000 0.500 39 F N 0.154 120.163 119.950 0.098 0.000 2.507 39 F HA 0.625 5.152 4.527 -0.000 0.000 0.327 39 F C -1.200 174.637 175.800 0.061 0.000 1.068 39 F CA -1.265 56.788 58.000 0.088 0.000 0.965 39 F CB 1.802 40.826 39.000 0.040 0.000 1.192 39 F HN 0.007 nan 8.300 nan 0.000 0.476 40 D N 2.614 122.307 120.400 -1.178 0.000 2.362 40 D HA 0.198 4.838 4.640 -0.000 0.000 0.232 40 D C 0.651 176.360 176.300 -0.985 0.000 1.329 40 D CA 0.044 53.580 54.000 -0.773 0.000 0.944 40 D CB 0.719 41.314 40.800 -0.341 0.000 1.471 40 D HN 0.695 nan 8.370 nan 0.000 0.533 41 G N 1.482 109.780 108.800 -0.837 0.000 2.498 41 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.219 41 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.219 41 G C 1.336 176.157 174.900 -0.130 0.000 1.119 41 G CA 1.564 46.501 45.100 -0.272 0.000 0.766 41 G HN 0.535 nan 8.290 nan 0.000 0.552 42 T N -3.939 110.528 114.554 -0.145 0.000 3.014 42 T HA 0.006 4.356 4.350 -0.000 0.000 0.263 42 T C 1.294 175.938 174.700 -0.094 0.000 1.078 42 T CA 0.757 62.807 62.100 -0.083 0.000 1.135 42 T CB -0.412 68.420 68.868 -0.060 0.000 0.895 42 T HN 0.628 nan 8.240 nan 0.000 0.480 43 c N 1.880 120.391 118.600 -0.148 0.000 4.533 43 c HA -0.166 4.404 4.570 -0.000 0.000 0.304 43 c C 1.414 175.449 174.090 -0.091 0.000 1.316 43 c CA 0.800 57.051 56.329 -0.131 0.000 2.053 43 c CB -2.562 39.893 42.510 -0.092 0.000 1.242 43 c HN 0.821 nan 8.230 nan 0.000 0.758 44 T N -1.142 113.359 114.554 -0.089 0.000 3.042 44 T HA 0.031 4.381 4.350 -0.000 0.000 0.245 44 T C 0.716 175.382 174.700 -0.056 0.000 1.029 44 T CA 0.854 62.919 62.100 -0.057 0.000 1.120 44 T CB -0.139 68.703 68.868 -0.043 0.000 0.917 44 T HN 0.607 nan 8.240 nan 0.000 0.467 45 N N 2.195 120.848 118.700 -0.078 0.000 2.719 45 N HA 0.210 4.950 4.740 -0.000 0.000 0.243 45 N C 0.720 176.160 175.510 -0.116 0.000 1.104 45 N CA -0.341 52.667 53.050 -0.069 0.000 0.981 45 N CB -0.164 38.289 38.487 -0.056 0.000 1.290 45 N HN 0.267 nan 8.380 nan 0.000 0.513 46 L N 1.950 123.113 121.223 -0.099 0.000 2.551 46 L HA -0.085 4.255 4.340 -0.000 0.000 0.230 46 L C 1.532 178.233 176.870 -0.282 0.000 1.163 46 L CA 0.785 55.527 54.840 -0.162 0.000 0.826 46 L CB -0.182 41.846 42.059 -0.053 0.000 0.943 46 L HN 0.365 nan 8.230 nan 0.000 0.452 47 R N -0.546 119.871 120.500 -0.138 0.000 2.362 47 R HA 0.304 4.644 4.340 -0.000 0.000 0.227 47 R C 0.320 176.587 176.300 -0.054 0.000 0.905 47 R CA -0.007 56.088 56.100 -0.008 0.000 1.067 47 R CB 0.240 30.636 30.300 0.160 0.000 1.078 47 R HN 0.277 nan 8.270 nan 0.000 0.516 48 L N -0.430 120.670 121.223 -0.206 0.000 2.421 48 L HA 0.418 4.758 4.340 -0.000 0.000 0.267 48 L C -0.178 176.549 176.870 -0.239 0.000 1.036 48 L CA -1.388 53.382 54.840 -0.116 0.000 0.829 48 L CB 0.415 42.430 42.059 -0.074 0.000 1.437 48 L HN -0.117 nan 8.230 nan 0.000 0.488 49 Y N -1.178 119.092 120.300 -0.051 0.000 2.309 49 Y HA 0.063 4.613 4.550 -0.000 0.000 0.327 49 Y C 0.764 176.580 175.900 -0.141 0.000 1.172 49 Y CA -0.057 58.055 58.100 0.020 0.000 1.280 49 Y CB 1.147 39.737 38.460 0.217 0.000 1.234 49 Y HN 0.477 nan 8.280 nan 0.000 0.512 50 c N 0.775 119.428 118.600 0.089 0.000 3.065 50 c HA 0.344 4.914 4.570 -0.000 0.000 0.285 50 c C 1.670 175.877 174.090 0.194 0.000 1.257 50 c CA 0.516 56.823 56.329 -0.037 0.000 1.691 50 c CB -0.386 42.086 42.510 -0.064 0.000 2.089 50 c HN 1.218 nan 8.230 nan 0.000 0.630 51 G N 0.303 109.353 108.800 0.417 0.000 2.253 51 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.209 51 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.209 51 G C 0.457 175.499 174.900 0.237 0.000 0.997 51 G CA -0.072 45.271 45.100 0.405 0.000 0.640 51 G HN 0.795 nan 8.290 nan 0.000 0.496 52 G N 1.048 109.973 108.800 0.208 0.000 2.287 52 G HA2 0.470 4.430 3.960 -0.000 0.000 0.235 52 G HA3 0.470 4.430 3.960 -0.000 0.000 0.235 52 G C 0.046 175.021 174.900 0.125 0.000 1.258 52 G CA 1.339 46.533 45.100 0.156 0.000 0.884 52 G HN 1.245 nan 8.290 nan 0.000 0.518 53 D N -0.102 120.352 120.400 0.091 0.000 2.677 53 D HA 0.199 4.839 4.640 -0.000 0.000 0.298 53 D C 0.502 176.874 176.300 0.119 0.000 1.250 53 D CA -0.973 53.037 54.000 0.017 0.000 0.888 53 D CB 0.121 40.940 40.800 0.031 0.000 1.397 53 D HN 0.304 nan 8.370 nan 0.000 0.461 54 W N -0.302 121.074 121.300 0.128 0.000 2.363 54 W HA -0.059 4.601 4.660 -0.000 0.000 0.296 54 W C 2.095 178.668 176.519 0.090 0.000 1.212 54 W CA 1.094 58.505 57.345 0.109 0.000 1.260 54 W CB -0.966 28.588 29.460 0.156 0.000 1.131 54 W HN 0.572 nan 8.180 nan 0.000 0.530 55 Q N 0.355 120.329 119.800 0.290 0.000 2.096 55 Q HA -0.097 4.243 4.340 -0.000 0.000 0.204 55 Q C 2.408 178.492 176.000 0.140 0.000 0.982 55 Q CA 2.554 58.465 55.803 0.181 0.000 0.850 55 Q CB -1.040 27.775 28.738 0.129 0.000 0.901 55 Q HN 0.162 nan 8.270 nan 0.000 0.422 56 G N 0.608 109.496 108.800 0.146 0.000 2.421 56 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 56 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 56 G C 1.446 176.435 174.900 0.149 0.000 1.171 56 G CA 1.033 46.202 45.100 0.115 0.000 0.775 56 G HN 0.436 nan 8.290 nan 0.000 0.543 57 I N 0.625 121.349 120.570 0.258 0.000 2.163 57 I HA -0.200 3.970 4.170 -0.000 0.000 0.243 57 I C 2.716 178.937 176.117 0.172 0.000 1.085 57 I CA 0.964 62.444 61.300 0.301 0.000 1.347 57 I CB -0.358 37.811 38.000 0.282 0.000 1.044 57 I HN 0.163 nan 8.210 nan 0.000 0.408 58 I N 1.023 121.669 120.570 0.127 0.000 2.163 58 I HA -0.327 3.843 4.170 -0.000 0.000 0.243 58 I C 2.319 178.458 176.117 0.038 0.000 1.085 58 I CA 1.483 62.824 61.300 0.068 0.000 1.347 58 I CB -0.615 37.422 38.000 0.062 0.000 1.044 58 I HN 0.334 nan 8.210 nan 0.000 0.408 59 N N 0.995 119.709 118.700 0.024 0.000 2.104 59 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 59 N C 1.756 177.225 175.510 -0.068 0.000 1.024 59 N CA 1.222 54.257 53.050 -0.025 0.000 0.853 59 N CB -0.320 38.142 38.487 -0.043 0.000 1.008 59 N HN 0.248 nan 8.380 nan 0.000 0.424 60 K N 0.988 121.336 120.400 -0.086 0.000 2.148 60 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 60 K C 2.071 178.673 176.600 0.003 0.000 1.050 60 K CA 0.369 56.576 56.287 -0.133 0.000 0.942 60 K CB -0.461 31.927 32.500 -0.186 0.000 0.724 60 K HN 0.295 nan 8.250 nan 0.000 0.446 61 I N 0.904 121.500 120.570 0.043 0.000 2.830 61 I HA -0.207 3.963 4.170 -0.000 0.000 0.263 61 I C 1.385 177.508 176.117 0.010 0.000 1.230 61 I CA 0.891 62.213 61.300 0.037 0.000 1.480 61 I CB -0.097 37.927 38.000 0.040 0.000 1.095 61 I HN 0.257 nan 8.210 nan 0.000 0.455 62 N N 0.212 118.911 118.700 -0.002 0.000 2.409 62 N HA -0.108 4.632 4.740 -0.000 0.000 0.174 62 N C 0.883 176.385 175.510 -0.014 0.000 1.037 62 N CA 0.708 53.753 53.050 -0.008 0.000 0.898 62 N CB 0.262 38.745 38.487 -0.007 0.000 1.010 62 N HN 0.348 nan 8.380 nan 0.000 0.445 63 D N -0.615 119.769 120.400 -0.027 0.000 2.340 63 D HA 0.125 4.765 4.640 -0.000 0.000 0.220 63 D C 1.131 177.433 176.300 0.004 0.000 1.039 63 D CA 0.234 54.220 54.000 -0.024 0.000 0.866 63 D CB -0.003 40.765 40.800 -0.054 0.000 0.913 63 D HN 0.157 nan 8.370 nan 0.000 0.523 64 G N -0.291 108.518 108.800 0.014 0.000 2.157 64 G HA2 -0.420 3.540 3.960 -0.000 0.000 0.248 64 G HA3 -0.420 3.540 3.960 -0.000 0.000 0.248 64 G C 0.590 175.530 174.900 0.067 0.000 0.979 64 G CA 0.288 45.404 45.100 0.028 0.000 0.650 64 G HN 0.353 nan 8.290 nan 0.000 0.529 65 Y N 0.658 120.938 120.300 -0.034 0.000 2.181 65 Y HA 0.076 4.626 4.550 -0.000 0.000 0.288 65 Y C 2.578 178.516 175.900 0.064 0.000 1.146 65 Y CA 2.451 60.571 58.100 0.033 0.000 1.164 65 Y CB -0.181 38.229 38.460 -0.083 0.000 0.982 65 Y HN 0.338 nan 8.280 nan 0.000 0.515 66 L N -1.122 120.058 121.223 -0.071 0.000 2.084 66 L HA -0.125 4.215 4.340 -0.000 0.000 0.202 66 L C 2.681 179.424 176.870 -0.212 0.000 1.074 66 L CA 1.539 56.245 54.840 -0.223 0.000 0.757 66 L CB -1.203 40.784 42.059 -0.120 0.000 0.918 66 L HN 0.277 nan 8.230 nan 0.000 0.444 67 T N -2.089 112.400 114.554 -0.109 0.000 2.759 67 T HA -0.152 4.198 4.350 -0.000 0.000 0.269 67 T C 1.939 176.576 174.700 -0.105 0.000 1.042 67 T CA 1.283 63.328 62.100 -0.093 0.000 1.140 67 T CB -0.958 67.880 68.868 -0.050 0.000 0.864 67 T HN 0.388 nan 8.240 nan 0.000 0.455 68 G N 0.633 109.388 108.800 -0.076 0.000 2.450 68 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.220 68 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.220 68 G C 1.613 176.433 174.900 -0.134 0.000 1.130 68 G CA 0.847 45.938 45.100 -0.015 0.000 0.760 68 G HN 0.521 nan 8.290 nan 0.000 0.557 69 M N -0.504 118.862 119.600 -0.391 0.000 2.254 69 M HA 0.176 4.656 4.480 -0.000 0.000 0.265 69 M C 1.941 178.023 176.300 -0.364 0.000 1.066 69 M CA 1.367 56.273 55.300 -0.657 0.000 1.123 69 M CB 0.316 32.411 32.600 -0.843 0.000 1.388 69 M HN 0.415 nan 8.290 nan 0.000 0.425 70 G N -0.304 108.343 108.800 -0.255 0.000 2.192 70 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.193 70 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.193 70 G C -0.006 174.798 174.900 -0.160 0.000 0.999 70 G CA -0.180 44.813 45.100 -0.179 0.000 0.659 70 G HN 0.268 nan 8.290 nan 0.000 0.503 71 V N 1.705 121.509 119.914 -0.183 0.000 2.763 71 V HA 0.439 4.559 4.120 -0.000 0.000 0.306 71 V C 1.633 177.677 176.094 -0.083 0.000 1.059 71 V CA 1.728 63.953 62.300 -0.124 0.000 1.138 71 V CB 1.392 33.116 31.823 -0.165 0.000 0.940 71 V HN 0.930 nan 8.190 nan 0.000 0.489 72 T N 0.392 114.917 114.554 -0.048 0.000 3.209 72 T HA 0.668 5.018 4.350 -0.000 0.000 0.295 72 T C -0.138 174.557 174.700 -0.007 0.000 0.977 72 T CA 0.371 62.439 62.100 -0.054 0.000 0.922 72 T CB 0.368 69.171 68.868 -0.108 0.000 1.152 72 T HN 1.191 nan 8.240 nan 0.000 0.527 73 A N 1.498 124.363 122.820 0.075 0.000 2.577 73 A HA 0.725 5.045 4.320 -0.000 0.000 0.297 73 A C -1.321 176.409 177.584 0.244 0.000 1.060 73 A CA -1.130 51.018 52.037 0.185 0.000 0.697 73 A CB 0.943 20.114 19.000 0.284 0.000 1.281 73 A HN 0.863 nan 8.150 nan 0.000 0.402 74 I N -1.640 119.089 120.570 0.265 0.000 2.498 74 I HA 0.813 4.983 4.170 -0.000 0.000 0.290 74 I C -0.963 175.363 176.117 0.348 0.000 1.032 74 I CA -0.651 60.816 61.300 0.279 0.000 1.073 74 I CB 1.807 39.925 38.000 0.196 0.000 1.251 74 I HN 0.750 nan 8.210 nan 0.000 0.426 75 W N 9.348 130.738 121.300 0.151 0.000 2.294 75 W HA 0.740 5.400 4.660 -0.000 0.000 0.314 75 W C -1.082 175.483 176.519 0.076 0.000 1.044 75 W CA -1.976 55.455 57.345 0.143 0.000 1.284 75 W CB 0.705 30.290 29.460 0.209 0.000 1.231 75 W HN 0.657 nan 8.180 nan 0.000 0.419 76 I N 2.677 123.470 120.570 0.372 0.000 2.676 76 I HA 0.602 4.772 4.170 -0.000 0.000 0.309 76 I C 0.539 176.746 176.117 0.150 0.000 0.990 76 I CA -0.844 60.539 61.300 0.139 0.000 1.168 76 I CB 1.488 39.577 38.000 0.149 0.000 1.343 76 I HN 0.214 nan 8.210 nan 0.000 0.482 77 S N 1.704 117.347 115.700 -0.095 0.000 2.569 77 S HA -0.036 4.434 4.470 -0.000 0.000 0.274 77 S C 0.047 174.622 174.600 -0.041 0.000 1.353 77 S CA -0.257 57.817 58.200 -0.209 0.000 1.023 77 S CB 0.324 63.226 63.200 -0.498 0.000 0.876 77 S HN 0.721 nan 8.310 nan 0.000 0.540 78 Q N 2.389 122.118 119.800 -0.118 0.000 2.262 78 Q HA -0.007 4.333 4.340 -0.000 0.000 0.298 78 Q C -1.639 174.416 176.000 0.092 0.000 1.083 78 Q CA -0.903 54.870 55.803 -0.051 0.000 0.962 78 Q CB 0.601 29.250 28.738 -0.148 0.000 1.104 78 Q HN 0.294 nan 8.270 nan 0.000 0.376 79 P HA -0.089 nan 4.420 nan 0.000 0.222 79 P C 0.446 177.821 177.300 0.125 0.000 1.153 79 P CA 0.538 63.781 63.100 0.240 0.000 0.798 79 P CB -0.302 31.259 31.700 -0.231 0.000 0.796 80 V N -0.756 119.074 119.914 -0.141 0.000 3.287 80 V HA 0.046 4.166 4.120 -0.000 0.000 0.306 80 V C 0.522 176.557 176.094 -0.099 0.000 1.103 80 V CA -0.700 61.577 62.300 -0.039 0.000 1.159 80 V CB -0.176 31.570 31.823 -0.128 0.000 1.036 80 V HN 0.032 nan 8.190 nan 0.000 0.487 81 E N 2.914 123.072 120.200 -0.070 0.000 2.351 81 E HA 0.115 4.465 4.350 -0.000 0.000 0.266 81 E C -0.153 176.293 176.600 -0.257 0.000 1.031 81 E CA -0.064 56.242 56.400 -0.157 0.000 0.911 81 E CB 0.168 29.830 29.700 -0.064 0.000 0.986 81 E HN 0.868 nan 8.360 nan 0.000 0.446 82 N N 3.272 121.763 118.700 -0.349 0.000 2.502 82 N HA 0.277 5.017 4.740 -0.000 0.000 0.280 82 N C 0.267 175.515 175.510 -0.436 0.000 1.223 82 N CA -0.634 52.237 53.050 -0.298 0.000 0.966 82 N CB 0.965 39.306 38.487 -0.244 0.000 1.203 82 N HN 0.457 nan 8.380 nan 0.000 0.565 83 I N -1.396 119.043 120.570 -0.218 0.000 2.993 83 I HA -0.004 4.166 4.170 -0.000 0.000 0.286 83 I C 0.212 176.134 176.117 -0.325 0.000 1.215 83 I CA 0.075 61.242 61.300 -0.221 0.000 1.393 83 I CB 0.239 38.211 38.000 -0.047 0.000 1.371 83 I HN 0.541 nan 8.210 nan 0.000 0.602 84 Y N 1.521 121.827 120.300 0.009 0.000 2.524 84 Y HA 0.103 4.653 4.550 -0.000 0.000 0.270 84 Y C 1.780 177.697 175.900 0.029 0.000 1.094 84 Y CA 0.407 58.512 58.100 0.008 0.000 1.276 84 Y CB -0.478 37.959 38.460 -0.039 0.000 1.130 84 Y HN 0.706 nan 8.280 nan 0.000 0.536 85 S N 1.366 117.147 115.700 0.134 0.000 2.558 85 S HA 0.047 4.517 4.470 -0.000 0.000 0.293 85 S C -0.299 174.338 174.600 0.061 0.000 1.292 85 S CA -0.337 57.896 58.200 0.054 0.000 1.063 85 S CB 0.140 63.313 63.200 -0.044 0.000 0.831 85 S HN 0.197 nan 8.310 nan 0.000 0.499 86 I N 3.312 123.917 120.570 0.057 0.000 2.281 86 I HA 0.269 4.439 4.170 -0.000 0.000 0.293 86 I C 0.210 176.330 176.117 0.005 0.000 1.085 86 I CA -0.227 61.120 61.300 0.077 0.000 1.257 86 I CB 0.070 38.123 38.000 0.089 0.000 1.430 86 I HN 0.607 nan 8.210 nan 0.000 0.489 87 I N 5.791 126.344 120.570 -0.028 0.000 2.779 87 I HA 0.086 4.256 4.170 -0.000 0.000 0.285 87 I C 0.691 176.721 176.117 -0.144 0.000 1.134 87 I CA -0.061 61.123 61.300 -0.192 0.000 1.398 87 I CB 0.359 38.105 38.000 -0.423 0.000 1.404 87 I HN 0.555 nan 8.210 nan 0.000 0.587 88 N N 4.946 123.526 118.700 -0.201 0.000 2.569 88 N HA 0.191 4.931 4.740 -0.000 0.000 0.254 88 N C -1.622 173.806 175.510 -0.137 0.000 1.004 88 N CA -0.447 52.545 53.050 -0.096 0.000 0.904 88 N CB 0.659 39.137 38.487 -0.015 0.000 1.165 88 N HN 0.349 nan 8.380 nan 0.000 0.513 89 Y N 1.992 122.364 120.300 0.119 0.000 2.751 89 Y HA 0.115 4.665 4.550 -0.000 0.000 0.333 89 Y C 0.621 176.555 175.900 0.056 0.000 1.122 89 Y CA -0.556 57.597 58.100 0.088 0.000 1.367 89 Y CB 0.043 38.558 38.460 0.093 0.000 1.242 89 Y HN 0.498 nan 8.280 nan 0.000 0.505 90 S N 0.483 116.276 115.700 0.155 0.000 3.727 90 S HA -0.148 4.322 4.470 -0.000 0.000 0.444 90 S C 1.164 175.811 174.600 0.080 0.000 0.867 90 S CA 0.456 58.714 58.200 0.096 0.000 1.324 90 S CB -1.916 61.335 63.200 0.085 0.000 0.890 90 S HN 1.802 nan 8.310 nan 0.000 0.599 91 G N -1.295 107.543 108.800 0.063 0.000 2.220 91 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.269 91 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.269 91 G C 0.174 175.113 174.900 0.064 0.000 0.977 91 G CA 0.252 45.384 45.100 0.053 0.000 0.634 91 G HN 1.977 nan 8.290 nan 0.000 0.539 92 V N 0.449 120.419 119.914 0.092 0.000 2.398 92 V HA 0.562 4.682 4.120 -0.000 0.000 0.286 92 V C -0.075 176.094 176.094 0.124 0.000 1.026 92 V CA -1.662 60.703 62.300 0.108 0.000 0.868 92 V CB 1.656 33.554 31.823 0.125 0.000 0.982 92 V HN 0.203 nan 8.190 nan 0.000 0.443 93 N N 4.267 123.030 118.700 0.105 0.000 2.458 93 N HA 0.327 5.067 4.740 -0.000 0.000 0.270 93 N C -0.479 175.130 175.510 0.165 0.000 1.102 93 N CA 0.091 53.207 53.050 0.110 0.000 0.967 93 N CB 0.527 39.066 38.487 0.085 0.000 1.078 93 N HN 0.746 nan 8.380 nan 0.000 0.471 94 N N 0.191 119.020 118.700 0.215 0.000 2.269 94 N HA 0.439 5.179 4.740 -0.000 0.000 0.304 94 N C -0.428 175.282 175.510 0.333 0.000 1.072 94 N CA -0.465 52.783 53.050 0.331 0.000 0.802 94 N CB 2.155 40.968 38.487 0.545 0.000 1.348 94 N HN 0.496 nan 8.380 nan 0.000 0.484 95 T N -2.871 111.856 114.554 0.288 0.000 2.907 95 T HA 0.569 4.919 4.350 -0.000 0.000 0.290 95 T C 0.230 174.810 174.700 -0.200 0.000 1.066 95 T CA -0.816 61.393 62.100 0.182 0.000 1.012 95 T CB 1.675 70.636 68.868 0.156 0.000 1.184 95 T HN 0.387 nan 8.240 nan 0.000 0.522 96 A N 0.791 123.431 122.820 -0.300 0.000 2.648 96 A HA 0.294 4.614 4.320 -0.000 0.000 0.269 96 A C 1.204 178.114 177.584 -1.124 0.000 1.392 96 A CA -0.282 51.213 52.037 -0.903 0.000 1.019 96 A CB -1.645 17.207 19.000 -0.247 0.000 1.009 96 A HN 0.964 nan 8.150 nan 0.000 0.565 97 Y N -0.273 119.292 120.300 -1.225 0.000 2.315 97 Y HA -0.304 4.246 4.550 -0.000 0.000 0.288 97 Y C 1.871 177.365 175.900 -0.677 0.000 1.154 97 Y CA 1.713 59.125 58.100 -1.147 0.000 1.229 97 Y CB -1.150 36.725 38.460 -0.976 0.000 0.980 97 Y HN 0.648 nan 8.280 nan 0.000 0.540 98 H N -1.134 117.093 119.070 -1.405 0.000 2.428 98 H HA 0.258 4.814 4.556 -0.000 0.000 0.296 98 H C 2.075 176.873 175.328 -0.882 0.000 1.062 98 H CA 0.468 55.808 56.048 -1.180 0.000 1.350 98 H CB -0.818 28.366 29.762 -0.963 0.000 1.403 98 H HN 0.417 nan 8.280 nan 0.000 0.533 99 G N -0.572 107.838 108.800 -0.650 0.000 2.175 99 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.244 99 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.244 99 G C 0.300 175.023 174.900 -0.296 0.000 0.982 99 G CA 0.337 45.198 45.100 -0.398 0.000 0.641 99 G HN 0.505 nan 8.290 nan 0.000 0.527 100 Y N -0.892 119.424 120.300 0.028 0.000 2.471 100 Y HA 0.362 4.912 4.550 -0.000 0.000 0.286 100 Y C 0.772 176.883 175.900 0.350 0.000 1.188 100 Y CA -0.490 57.674 58.100 0.106 0.000 1.286 100 Y CB 0.229 38.723 38.460 0.056 0.000 1.072 100 Y HN 0.384 nan 8.280 nan 0.000 0.517 101 W N 1.257 122.678 121.300 0.203 0.000 2.101 101 W HA 0.667 5.327 4.660 -0.000 0.000 0.301 101 W C 0.096 176.586 176.519 -0.049 0.000 0.846 101 W CA -2.238 55.173 57.345 0.111 0.000 1.823 101 W CB -0.546 28.960 29.460 0.077 0.000 2.007 101 W HN -0.148 nan 8.180 nan 0.000 0.373 102 A N 1.950 124.830 122.820 0.100 0.000 2.540 102 A HA 0.209 4.529 4.320 -0.000 0.000 0.239 102 A C 1.506 179.023 177.584 -0.112 0.000 1.061 102 A CA 0.539 52.423 52.037 -0.254 0.000 0.758 102 A CB 0.593 19.094 19.000 -0.831 0.000 0.991 102 A HN 0.632 nan 8.150 nan 0.000 0.502 103 R N 0.285 120.691 120.500 -0.156 0.000 2.243 103 R HA 0.106 4.446 4.340 -0.000 0.000 0.193 103 R C -0.926 175.469 176.300 0.158 0.000 0.933 103 R CA 0.570 56.694 56.100 0.040 0.000 1.105 103 R CB 0.621 30.903 30.300 -0.030 0.000 1.169 103 R HN 0.734 nan 8.270 nan 0.000 0.599 104 D N -0.273 120.148 120.400 0.035 0.000 2.478 104 D HA 0.120 4.760 4.640 -0.000 0.000 0.240 104 D C -0.451 175.959 176.300 0.183 0.000 1.364 104 D CA -0.472 53.665 54.000 0.229 0.000 0.987 104 D CB 0.879 41.813 40.800 0.223 0.000 1.328 104 D HN 0.028 nan 8.370 nan 0.000 0.584 105 F N 1.951 122.127 119.950 0.376 0.000 2.771 105 F HA 0.119 4.646 4.527 -0.000 0.000 0.299 105 F C 2.090 178.176 175.800 0.476 0.000 1.177 105 F CA 0.597 58.798 58.000 0.336 0.000 1.450 105 F CB 0.213 39.335 39.000 0.203 0.000 1.114 105 F HN 0.149 nan 8.300 nan 0.000 0.587 106 K N -0.402 120.314 120.400 0.528 0.000 2.358 106 K HA 0.133 4.453 4.320 -0.000 0.000 0.197 106 K C 0.097 176.856 176.600 0.265 0.000 1.025 106 K CA 0.230 56.738 56.287 0.369 0.000 1.104 106 K CB 0.394 33.072 32.500 0.298 0.000 0.855 106 K HN 0.079 nan 8.250 nan 0.000 0.531 107 K N -0.182 120.412 120.400 0.325 0.000 2.444 107 K HA 0.240 4.560 4.320 -0.000 0.000 0.252 107 K C -0.463 176.336 176.600 0.332 0.000 0.993 107 K CA -0.798 55.637 56.287 0.246 0.000 0.847 107 K CB 2.002 34.597 32.500 0.158 0.000 1.340 107 K HN -0.056 nan 8.250 nan 0.000 0.446 108 T N -1.646 113.086 114.554 0.297 0.000 2.881 108 T HA 0.242 4.591 4.350 -0.000 0.000 0.278 108 T C 0.057 174.817 174.700 0.101 0.000 0.982 108 T CA -0.807 61.496 62.100 0.338 0.000 0.989 108 T CB 0.885 70.055 68.868 0.503 0.000 1.058 108 T HN 0.426 nan 8.240 nan 0.000 0.529 109 N N 2.128 120.806 118.700 -0.038 0.000 2.401 109 N HA 0.247 4.987 4.740 -0.000 0.000 0.255 109 N C -1.652 173.670 175.510 -0.313 0.000 1.110 109 N CA -2.337 50.521 53.050 -0.320 0.000 0.949 109 N CB 1.158 39.181 38.487 -0.773 0.000 1.110 109 N HN 0.326 nan 8.380 nan 0.000 0.490 110 P HA -0.164 nan 4.420 nan 0.000 0.216 110 P C 0.840 178.011 177.300 -0.215 0.000 1.150 110 P CA 1.334 64.359 63.100 -0.126 0.000 0.843 110 P CB 0.134 31.808 31.700 -0.044 0.000 0.787 111 A N -1.231 121.390 122.820 -0.333 0.000 1.933 111 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 111 A C 2.106 179.579 177.584 -0.184 0.000 1.175 111 A CA 1.456 53.305 52.037 -0.314 0.000 0.628 111 A CB -1.698 17.018 19.000 -0.474 0.000 0.814 111 A HN 0.096 nan 8.150 nan 0.000 0.444 112 Y N -0.744 119.271 120.300 -0.475 0.000 2.220 112 Y HA 0.347 4.897 4.550 -0.000 0.000 0.291 112 Y C 1.637 176.943 175.900 -0.991 0.000 1.129 112 Y CA 0.252 57.791 58.100 -0.935 0.000 1.161 112 Y CB -0.935 36.609 38.460 -1.528 0.000 0.997 112 Y HN 0.472 nan 8.280 nan 0.000 0.522 113 G N -1.283 107.183 108.800 -0.558 0.000 2.341 113 G HA2 0.318 4.278 3.960 -0.000 0.000 0.293 113 G HA3 0.318 4.278 3.960 -0.000 0.000 0.293 113 G C -0.820 174.218 174.900 0.230 0.000 1.298 113 G CA -0.523 44.559 45.100 -0.029 0.000 0.868 113 G HN 0.195 nan 8.290 nan 0.000 0.540 114 T N -1.213 113.557 114.554 0.360 0.000 2.912 114 T HA 0.569 4.919 4.350 -0.000 0.000 0.280 114 T C 1.646 176.609 174.700 0.439 0.000 0.989 114 T CA -0.534 61.758 62.100 0.319 0.000 0.995 114 T CB 1.109 70.092 68.868 0.192 0.000 1.077 114 T HN 0.442 nan 8.240 nan 0.000 0.531 115 I N 0.816 121.561 120.570 0.291 0.000 2.264 115 I HA -0.179 3.991 4.170 -0.000 0.000 0.248 115 I C 2.945 179.203 176.117 0.235 0.000 1.111 115 I CA 1.882 63.324 61.300 0.235 0.000 1.382 115 I CB -1.942 36.116 38.000 0.096 0.000 1.060 115 I HN 0.895 nan 8.210 nan 0.000 0.418 116 A N 0.441 123.374 122.820 0.187 0.000 1.933 116 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 116 A C 2.003 179.691 177.584 0.174 0.000 1.175 116 A CA 1.881 54.005 52.037 0.146 0.000 0.628 116 A CB -0.531 18.535 19.000 0.110 0.000 0.814 116 A HN 0.339 nan 8.150 nan 0.000 0.444 117 D N -1.182 119.378 120.400 0.267 0.000 2.117 117 D HA -0.114 4.525 4.640 -0.000 0.000 0.198 117 D C 1.576 178.034 176.300 0.263 0.000 0.982 117 D CA 1.067 55.257 54.000 0.317 0.000 0.828 117 D CB -0.423 40.663 40.800 0.477 0.000 0.967 117 D HN 0.455 nan 8.370 nan 0.000 0.464 118 F N 1.585 121.583 119.950 0.081 0.000 2.216 118 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 118 F C 2.267 177.960 175.800 -0.179 0.000 1.085 118 F CA 1.333 59.142 58.000 -0.318 0.000 1.326 118 F CB -0.009 38.745 39.000 -0.409 0.000 1.027 118 F HN -0.060 nan 8.300 nan 0.000 0.497 119 Q N -0.420 119.391 119.800 0.019 0.000 2.172 119 Q HA -0.163 4.177 4.340 -0.000 0.000 0.200 119 Q C 1.716 177.649 176.000 -0.112 0.000 0.964 119 Q CA 1.200 56.973 55.803 -0.049 0.000 0.855 119 Q CB -0.255 28.507 28.738 0.039 0.000 0.918 119 Q HN 0.373 nan 8.270 nan 0.000 0.444 120 N N 0.649 119.310 118.700 -0.065 0.000 2.270 120 N HA -0.100 4.640 4.740 -0.000 0.000 0.181 120 N C 1.603 177.043 175.510 -0.117 0.000 1.016 120 N CA 0.521 53.540 53.050 -0.052 0.000 0.870 120 N CB -0.107 38.391 38.487 0.018 0.000 0.979 120 N HN 0.138 nan 8.380 nan 0.000 0.431 121 L N 1.059 122.159 121.223 -0.205 0.000 2.046 121 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 121 L C 1.741 178.394 176.870 -0.362 0.000 1.077 121 L CA 1.392 56.066 54.840 -0.277 0.000 0.747 121 L CB -0.618 41.172 42.059 -0.448 0.000 0.896 121 L HN 0.028 nan 8.230 nan 0.000 0.432 122 I N 0.181 120.450 120.570 -0.501 0.000 2.179 122 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 122 I C 2.654 178.494 176.117 -0.461 0.000 1.088 122 I CA 1.484 62.442 61.300 -0.569 0.000 1.357 122 I CB -1.825 35.849 38.000 -0.543 0.000 1.051 122 I HN 0.379 nan 8.210 nan 0.000 0.409 123 A N 0.800 123.476 122.820 -0.241 0.000 1.898 123 A HA -0.055 4.265 4.320 -0.000 0.000 0.216 123 A C 2.590 180.137 177.584 -0.062 0.000 1.181 123 A CA 1.804 53.781 52.037 -0.100 0.000 0.620 123 A CB -0.771 18.199 19.000 -0.050 0.000 0.819 123 A HN 0.401 nan 8.150 nan 0.000 0.442 124 A N 0.012 122.785 122.820 -0.079 0.000 1.883 124 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 124 A C 2.527 180.091 177.584 -0.033 0.000 1.186 124 A CA 2.312 54.324 52.037 -0.042 0.000 0.624 124 A CB -1.116 17.863 19.000 -0.035 0.000 0.822 124 A HN 1.027 nan 8.150 nan 0.000 0.444 125 A N -0.772 122.002 122.820 -0.076 0.000 1.845 125 A HA -0.200 4.120 4.320 -0.000 0.000 0.215 125 A C 1.946 179.558 177.584 0.046 0.000 1.195 125 A CA 1.729 53.741 52.037 -0.041 0.000 0.616 125 A CB -1.237 17.705 19.000 -0.098 0.000 0.832 125 A HN 0.743 nan 8.150 nan 0.000 0.443 126 H N -0.746 118.297 119.070 -0.045 0.000 2.321 126 H HA -0.152 4.404 4.556 -0.000 0.000 0.295 126 H C 2.441 177.745 175.328 -0.039 0.000 1.102 126 H CA 0.879 56.902 56.048 -0.041 0.000 1.266 126 H CB -0.035 29.703 29.762 -0.040 0.000 1.363 126 H HN 0.564 nan 8.280 nan 0.000 0.492 127 A N 0.849 123.729 122.820 0.099 0.000 2.076 127 A HA -0.131 4.189 4.320 -0.000 0.000 0.220 127 A C 1.750 179.344 177.584 0.017 0.000 1.160 127 A CA 1.247 53.307 52.037 0.039 0.000 0.653 127 A CB 0.037 19.050 19.000 0.021 0.000 0.801 127 A HN 0.191 nan 8.150 nan 0.000 0.455 128 K N 0.175 120.586 120.400 0.019 0.000 2.493 128 K HA 0.098 4.418 4.320 -0.000 0.000 0.207 128 K C -0.378 176.218 176.600 -0.007 0.000 1.033 128 K CA -0.226 56.061 56.287 0.001 0.000 1.161 128 K CB -0.074 32.424 32.500 -0.002 0.000 0.873 128 K HN 0.538 nan 8.250 nan 0.000 0.491 129 N N 1.001 119.700 118.700 -0.003 0.000 2.735 129 N HA -0.220 4.520 4.740 -0.000 0.000 0.248 129 N C -0.571 174.925 175.510 -0.023 0.000 1.083 129 N CA 0.815 53.848 53.050 -0.029 0.000 0.703 129 N CB -1.324 37.129 38.487 -0.056 0.000 1.005 129 N HN 0.340 nan 8.380 nan 0.000 0.550 130 I N 0.715 121.302 120.570 0.028 0.000 2.406 130 I HA 0.215 4.385 4.170 -0.000 0.000 0.290 130 I C 0.494 176.681 176.117 0.116 0.000 0.999 130 I CA -0.604 60.720 61.300 0.041 0.000 1.124 130 I CB 1.727 39.748 38.000 0.034 0.000 1.289 130 I HN -0.197 nan 8.210 nan 0.000 0.441 131 K N 4.594 125.057 120.400 0.105 0.000 2.118 131 K HA 0.575 4.895 4.320 -0.000 0.000 0.264 131 K C -0.936 175.811 176.600 0.245 0.000 1.000 131 K CA -0.630 55.776 56.287 0.198 0.000 0.929 131 K CB 2.003 34.577 32.500 0.123 0.000 1.021 131 K HN 0.267 nan 8.250 nan 0.000 0.463 132 V N 4.402 124.469 119.914 0.255 0.000 2.417 132 V HA 0.401 4.521 4.120 -0.000 0.000 0.291 132 V C -0.212 176.036 176.094 0.256 0.000 1.024 132 V CA -0.726 61.685 62.300 0.185 0.000 0.861 132 V CB 1.120 32.941 31.823 -0.004 0.000 0.985 132 V HN 0.590 nan 8.190 nan 0.000 0.436 133 I N 5.888 126.618 120.570 0.267 0.000 2.530 133 I HA 0.624 4.794 4.170 -0.000 0.000 0.297 133 I C -0.472 175.773 176.117 0.214 0.000 1.011 133 I CA -0.742 60.688 61.300 0.218 0.000 1.107 133 I CB 2.083 40.218 38.000 0.224 0.000 1.285 133 I HN 0.629 nan 8.210 nan 0.000 0.436 134 I N 0.545 121.187 120.570 0.119 0.000 2.608 134 I HA 0.564 4.734 4.170 -0.000 0.000 0.295 134 I C -0.726 175.420 176.117 0.048 0.000 1.049 134 I CA -0.692 60.694 61.300 0.142 0.000 1.063 134 I CB 1.881 39.953 38.000 0.119 0.000 1.248 134 I HN 0.350 nan 8.210 nan 0.000 0.424 135 D N 4.005 124.498 120.400 0.154 0.000 2.345 135 D HA 0.317 4.957 4.640 -0.000 0.000 0.247 135 D C -1.633 174.777 176.300 0.182 0.000 1.108 135 D CA 0.432 54.520 54.000 0.148 0.000 0.894 135 D CB 1.231 42.226 40.800 0.325 0.000 1.203 135 D HN 0.502 nan 8.370 nan 0.000 0.430 136 F N 1.656 121.600 119.950 -0.009 0.000 2.585 136 F HA 0.482 5.009 4.527 -0.000 0.000 0.319 136 F C -0.934 174.913 175.800 0.078 0.000 1.165 136 F CA -0.816 57.196 58.000 0.021 0.000 0.949 136 F CB 1.685 40.672 39.000 -0.022 0.000 1.218 136 F HN 0.292 nan 8.300 nan 0.000 0.453 137 A N 7.524 130.226 122.820 -0.196 0.000 2.644 137 A HA 0.566 4.885 4.320 -0.000 0.000 0.343 137 A C -2.483 174.928 177.584 -0.290 0.000 1.324 137 A CA -1.226 50.721 52.037 -0.150 0.000 0.846 137 A CB -0.054 18.955 19.000 0.014 0.000 1.128 137 A HN 0.453 nan 8.150 nan 0.000 0.484 138 P HA 0.052 nan 4.420 nan 0.000 0.262 138 P C 0.712 177.923 177.300 -0.149 0.000 1.304 138 P CA 0.367 63.241 63.100 -0.376 0.000 0.859 138 P CB 0.197 31.769 31.700 -0.214 0.000 1.310 139 N N 0.640 119.219 118.700 -0.201 0.000 2.333 139 N HA -0.088 4.651 4.740 -0.000 0.000 0.178 139 N C 0.813 176.307 175.510 -0.027 0.000 1.018 139 N CA 0.651 53.665 53.050 -0.061 0.000 0.882 139 N CB 0.070 38.563 38.487 0.010 0.000 0.984 139 N HN 0.233 nan 8.380 nan 0.000 0.434 140 H N -4.581 114.541 119.070 0.088 0.000 2.984 140 H HA 0.332 4.888 4.556 -0.000 0.000 0.277 140 H C -0.135 175.336 175.328 0.239 0.000 1.502 140 H CA -0.099 56.019 56.048 0.116 0.000 1.195 140 H CB 0.758 30.563 29.762 0.071 0.000 1.866 140 H HN 0.049 nan 8.280 nan 0.000 0.594 141 T N -0.933 113.896 114.554 0.458 0.000 3.556 141 T HA 0.332 4.682 4.350 -0.000 0.000 0.204 141 T C 0.633 175.509 174.700 0.294 0.000 0.896 141 T CA 0.695 63.019 62.100 0.374 0.000 1.380 141 T CB -0.435 68.659 68.868 0.376 0.000 1.584 141 T HN 0.816 nan 8.240 nan 0.000 0.411 142 S N 0.960 116.699 115.700 0.065 0.000 2.671 142 S HA 0.683 5.153 4.470 -0.000 0.000 0.277 142 S C -3.358 171.023 174.600 -0.365 0.000 1.165 142 S CA -1.627 56.461 58.200 -0.186 0.000 0.822 142 S CB 1.158 64.237 63.200 -0.202 0.000 1.150 142 S HN 0.290 nan 8.310 nan 0.000 0.479 143 P HA 0.481 nan 4.420 nan 0.000 0.266 143 P C -0.854 176.267 177.300 -0.299 0.000 1.215 143 P CA 0.257 63.119 63.100 -0.396 0.000 0.763 143 P CB 0.395 31.851 31.700 -0.407 0.000 0.806 144 A N 2.827 125.563 122.820 -0.140 0.000 2.486 144 A HA 0.822 5.142 4.320 -0.000 0.000 0.289 144 A C -0.753 176.934 177.584 0.171 0.000 1.176 144 A CA -0.577 51.439 52.037 -0.035 0.000 0.757 144 A CB 1.592 20.402 19.000 -0.317 0.000 1.337 144 A HN 0.417 nan 8.150 nan 0.000 0.423 145 S N -0.506 115.358 115.700 0.273 0.000 2.706 145 S HA 0.400 4.870 4.470 -0.000 0.000 0.270 145 S C 0.711 175.451 174.600 0.233 0.000 1.163 145 S CA 0.383 58.709 58.200 0.211 0.000 1.042 145 S CB 0.937 64.165 63.200 0.047 0.000 1.079 145 S HN 1.961 nan 8.310 nan 0.000 0.474 146 S N 3.051 118.911 115.700 0.266 0.000 2.400 146 S HA -0.146 4.324 4.470 -0.000 0.000 0.232 146 S C 1.064 175.678 174.600 0.024 0.000 1.025 146 S CA 1.557 59.807 58.200 0.084 0.000 0.993 146 S CB -0.542 62.618 63.200 -0.066 0.000 0.808 146 S HN 0.772 nan 8.310 nan 0.000 0.478 147 D N 2.178 122.593 120.400 0.025 0.000 2.103 147 D HA -0.041 4.599 4.640 -0.000 0.000 0.199 147 D C 0.834 177.137 176.300 0.005 0.000 0.978 147 D CA 1.011 55.009 54.000 -0.003 0.000 0.829 147 D CB -0.297 40.491 40.800 -0.019 0.000 0.981 147 D HN 0.670 nan 8.370 nan 0.000 0.464 148 Q N 1.192 121.006 119.800 0.024 0.000 2.626 148 Q HA 0.224 4.563 4.340 -0.000 0.000 0.239 148 Q C -2.106 173.950 176.000 0.094 0.000 1.101 148 Q CA -1.622 54.206 55.803 0.042 0.000 0.918 148 Q CB 1.442 30.193 28.738 0.021 0.000 1.151 148 Q HN 0.068 nan 8.270 nan 0.000 0.531 149 P HA -0.140 nan 4.420 nan 0.000 0.229 149 P C 0.647 177.982 177.300 0.058 0.000 1.150 149 P CA 1.101 64.235 63.100 0.057 0.000 0.765 149 P CB 0.255 31.970 31.700 0.024 0.000 0.783 150 S N -1.643 114.100 115.700 0.071 0.000 2.528 150 S HA 0.034 4.504 4.470 -0.000 0.000 0.219 150 S C 0.495 175.149 174.600 0.091 0.000 0.985 150 S CA -0.399 57.838 58.200 0.061 0.000 0.914 150 S CB -0.713 62.516 63.200 0.048 0.000 0.776 150 S HN 0.085 nan 8.310 nan 0.000 0.526 151 F N 3.960 123.883 119.950 -0.045 0.000 2.502 151 F HA 0.509 5.036 4.527 -0.000 0.000 0.371 151 F C 1.034 176.781 175.800 -0.089 0.000 1.083 151 F CA -0.422 57.534 58.000 -0.074 0.000 1.174 151 F CB -0.695 38.259 39.000 -0.077 0.000 1.096 151 F HN 0.331 nan 8.300 nan 0.000 0.545 152 A N 4.974 127.449 122.820 -0.575 0.000 5.308 152 A HA -0.342 3.978 4.320 -0.000 0.000 0.321 152 A C 1.059 178.482 177.584 -0.268 0.000 1.849 152 A CA 1.575 53.277 52.037 -0.558 0.000 0.713 152 A CB -1.468 16.972 19.000 -0.933 0.000 1.360 152 A HN 0.776 nan 8.150 nan 0.000 0.384 153 E N 0.973 121.025 120.200 -0.246 0.000 2.685 153 E HA 0.263 4.613 4.350 -0.000 0.000 0.208 153 E C 0.373 176.928 176.600 -0.075 0.000 0.996 153 E CA 0.365 56.709 56.400 -0.092 0.000 1.054 153 E CB -0.073 29.620 29.700 -0.013 0.000 1.075 153 E HN 0.657 nan 8.360 nan 0.000 0.460 154 N N 0.629 119.264 118.700 -0.109 0.000 2.681 154 N HA -0.263 4.477 4.740 -0.000 0.000 0.250 154 N C 0.788 176.219 175.510 -0.132 0.000 1.133 154 N CA 0.384 53.398 53.050 -0.060 0.000 0.732 154 N CB -0.626 37.855 38.487 -0.010 0.000 1.107 154 N HN 0.564 nan 8.380 nan 0.000 0.559 155 G N 0.112 108.799 108.800 -0.189 0.000 2.187 155 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.261 155 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.261 155 G C 0.166 175.006 174.900 -0.100 0.000 1.000 155 G CA 0.736 45.698 45.100 -0.230 0.000 0.718 155 G HN 0.632 nan 8.290 nan 0.000 0.519 156 R N -0.991 119.498 120.500 -0.019 0.000 2.566 156 R HA 0.241 4.581 4.340 -0.000 0.000 0.273 156 R C 0.182 176.571 176.300 0.148 0.000 0.981 156 R CA 0.195 56.320 56.100 0.042 0.000 1.091 156 R CB 0.338 30.662 30.300 0.039 0.000 0.924 156 R HN 0.337 nan 8.270 nan 0.000 0.411 157 L N 4.162 125.436 121.223 0.084 0.000 2.333 157 L HA 0.382 4.722 4.340 -0.000 0.000 0.280 157 L C -1.471 175.333 176.870 -0.111 0.000 1.004 157 L CA -0.457 54.463 54.840 0.133 0.000 0.820 157 L CB 1.014 43.182 42.059 0.182 0.000 1.247 157 L HN 0.386 nan 8.230 nan 0.000 0.416 158 Y N 2.004 122.353 120.300 0.081 0.000 2.528 158 Y HA 0.471 5.021 4.550 -0.000 0.000 0.335 158 Y C -0.212 175.720 175.900 0.053 0.000 1.093 158 Y CA -0.748 57.384 58.100 0.053 0.000 1.134 158 Y CB 1.499 40.013 38.460 0.090 0.000 1.253 158 Y HN 0.567 nan 8.280 nan 0.000 0.478 159 D N 1.454 121.970 120.400 0.193 0.000 2.551 159 D HA 0.144 4.784 4.640 -0.000 0.000 0.294 159 D C -0.708 175.749 176.300 0.262 0.000 1.201 159 D CA -0.312 53.820 54.000 0.221 0.000 0.941 159 D CB -0.656 40.178 40.800 0.057 0.000 0.995 159 D HN 0.689 nan 8.370 nan 0.000 0.502 160 N N 2.273 121.149 118.700 0.293 0.000 2.771 160 N HA -0.201 4.539 4.740 -0.000 0.000 0.249 160 N C 0.950 176.559 175.510 0.164 0.000 1.069 160 N CA 0.873 54.047 53.050 0.207 0.000 0.688 160 N CB -0.967 37.623 38.487 0.172 0.000 0.928 160 N HN 0.667 nan 8.380 nan 0.000 0.551 161 G N -1.870 107.040 108.800 0.182 0.000 2.284 161 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.230 161 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.230 161 G C 0.257 175.322 174.900 0.277 0.000 1.021 161 G CA 0.337 45.524 45.100 0.146 0.000 0.619 161 G HN 0.503 nan 8.290 nan 0.000 0.510 162 T N 2.018 116.719 114.554 0.245 0.000 2.761 162 T HA 0.505 4.855 4.350 -0.000 0.000 0.296 162 T C 0.246 175.047 174.700 0.168 0.000 0.934 162 T CA -0.083 62.131 62.100 0.189 0.000 1.091 162 T CB 1.643 70.573 68.868 0.103 0.000 0.896 162 T HN 0.624 nan 8.240 nan 0.000 0.515 163 L N 5.594 126.858 121.223 0.069 0.000 2.361 163 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 163 L C 0.854 177.597 176.870 -0.212 0.000 1.113 163 L CA 0.223 54.878 54.840 -0.308 0.000 0.849 163 L CB 0.080 41.918 42.059 -0.368 0.000 1.155 163 L HN 0.708 nan 8.230 nan 0.000 0.452 164 L N 4.776 125.844 121.223 -0.258 0.000 2.084 164 L HA 0.380 4.720 4.340 -0.000 0.000 0.202 164 L C 1.127 177.923 176.870 -0.123 0.000 1.074 164 L CA 0.741 55.476 54.840 -0.175 0.000 0.757 164 L CB -0.501 41.423 42.059 -0.226 0.000 0.918 164 L HN 0.830 nan 8.230 nan 0.000 0.444 165 G N -1.801 106.934 108.800 -0.109 0.000 2.451 165 G HA2 0.488 4.448 3.960 -0.000 0.000 0.292 165 G HA3 0.488 4.448 3.960 -0.000 0.000 0.292 165 G C -1.573 173.373 174.900 0.077 0.000 1.427 165 G CA -0.034 45.066 45.100 0.001 0.000 0.792 165 G HN 0.187 nan 8.290 nan 0.000 0.498 166 G N -1.993 106.863 108.800 0.093 0.000 2.714 166 G HA2 0.488 4.448 3.960 -0.000 0.000 0.292 166 G HA3 0.488 4.448 3.960 -0.000 0.000 0.292 166 G C 0.062 174.959 174.900 -0.005 0.000 1.308 166 G CA -0.346 44.770 45.100 0.026 0.000 0.964 166 G HN 0.586 nan 8.290 nan 0.000 0.484 167 Y N 0.359 120.456 120.300 -0.339 0.000 2.263 167 Y HA 0.100 4.650 4.550 -0.000 0.000 0.292 167 Y C 1.814 177.685 175.900 -0.048 0.000 1.130 167 Y CA 1.269 59.167 58.100 -0.336 0.000 1.179 167 Y CB -0.016 38.192 38.460 -0.420 0.000 0.998 167 Y HN 0.315 nan 8.280 nan 0.000 0.532 168 T N 2.208 116.729 114.554 -0.056 0.000 2.856 168 T HA 0.064 4.413 4.350 -0.000 0.000 0.292 168 T C 0.178 174.822 174.700 -0.093 0.000 0.980 168 T CA -0.225 61.816 62.100 -0.098 0.000 1.091 168 T CB 0.409 69.256 68.868 -0.035 0.000 0.936 168 T HN 0.412 nan 8.240 nan 0.000 0.503 169 N N 2.209 120.829 118.700 -0.132 0.000 2.738 169 N HA -0.181 4.559 4.740 -0.000 0.000 0.249 169 N C -0.999 174.461 175.510 -0.085 0.000 1.047 169 N CA 0.072 53.057 53.050 -0.108 0.000 0.707 169 N CB -0.497 37.949 38.487 -0.068 0.000 0.937 169 N HN 0.672 nan 8.380 nan 0.000 0.545 170 D N 0.581 120.912 120.400 -0.115 0.000 2.508 170 D HA 0.140 4.780 4.640 -0.000 0.000 0.224 170 D C 1.770 178.044 176.300 -0.042 0.000 1.171 170 D CA 0.429 54.422 54.000 -0.012 0.000 1.006 170 D CB 0.460 41.349 40.800 0.148 0.000 1.073 170 D HN 0.418 nan 8.370 nan 0.000 0.513 171 T N 0.040 114.575 114.554 -0.032 0.000 2.896 171 T HA -0.143 4.207 4.350 -0.000 0.000 0.263 171 T C 1.685 176.374 174.700 -0.018 0.000 1.050 171 T CA 0.714 62.791 62.100 -0.039 0.000 1.140 171 T CB -0.166 68.680 68.868 -0.038 0.000 0.877 171 T HN 0.300 nan 8.240 nan 0.000 0.457 172 Q N 0.880 120.679 119.800 -0.002 0.000 2.291 172 Q HA 0.045 4.385 4.340 -0.000 0.000 0.205 172 Q C 0.297 176.297 176.000 -0.001 0.000 0.970 172 Q CA 0.508 56.306 55.803 -0.008 0.000 0.876 172 Q CB -0.186 28.541 28.738 -0.019 0.000 0.935 172 Q HN 0.693 nan 8.270 nan 0.000 0.455 173 N N -1.227 117.497 118.700 0.039 0.000 2.814 173 N HA -0.172 4.568 4.740 -0.000 0.000 0.247 173 N C 0.028 175.544 175.510 0.011 0.000 1.089 173 N CA -0.031 53.067 53.050 0.080 0.000 0.682 173 N CB -0.939 37.577 38.487 0.049 0.000 0.970 173 N HN 0.167 nan 8.380 nan 0.000 0.554 174 L N -1.401 119.806 121.223 -0.027 0.000 2.109 174 L HA 0.120 4.460 4.340 -0.000 0.000 0.207 174 L C 0.828 177.376 176.870 -0.537 0.000 1.086 174 L CA 0.934 55.578 54.840 -0.327 0.000 0.760 174 L CB -0.193 41.564 42.059 -0.503 0.000 0.910 174 L HN 0.124 nan 8.230 nan 0.000 0.437 175 F N -2.167 117.726 119.950 -0.095 0.000 2.525 175 F HA 0.384 4.911 4.527 -0.000 0.000 0.346 175 F C 0.555 176.168 175.800 -0.312 0.000 1.072 175 F CA -1.016 56.864 58.000 -0.199 0.000 1.033 175 F CB 0.348 39.362 39.000 0.024 0.000 1.324 175 F HN -0.232 nan 8.300 nan 0.000 0.491 176 H N -1.631 117.413 119.070 -0.044 0.000 2.482 176 H HA 0.352 4.908 4.556 -0.000 0.000 0.344 176 H C -1.029 174.073 175.328 -0.377 0.000 1.151 176 H CA -0.496 55.473 56.048 -0.131 0.000 1.300 176 H CB 0.837 30.595 29.762 -0.007 0.000 1.494 176 H HN 0.531 nan 8.280 nan 0.000 0.542 177 H N 1.181 120.396 119.070 0.241 0.000 2.624 177 H HA 0.197 4.753 4.556 -0.000 0.000 0.233 177 H C -0.223 175.125 175.328 0.034 0.000 1.376 177 H CA -0.392 55.720 56.048 0.107 0.000 1.137 177 H CB 0.155 29.900 29.762 -0.027 0.000 1.867 177 H HN 0.553 nan 8.280 nan 0.000 0.547 178 N N 0.945 119.694 118.700 0.081 0.000 2.235 178 N HA 0.235 4.975 4.740 -0.000 0.000 0.231 178 N C 0.880 176.383 175.510 -0.011 0.000 1.177 178 N CA 0.695 53.743 53.050 -0.002 0.000 0.874 178 N CB 1.807 40.248 38.487 -0.078 0.000 1.097 178 N HN 0.667 nan 8.380 nan 0.000 0.518 179 G N 0.031 108.846 108.800 0.024 0.000 2.587 179 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.212 179 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.212 179 G C -0.235 174.637 174.900 -0.047 0.000 1.327 179 G CA -0.529 44.568 45.100 -0.006 0.000 0.898 179 G HN 0.428 nan 8.290 nan 0.000 0.551 180 G N -1.110 107.639 108.800 -0.086 0.000 2.417 180 G HA2 0.724 4.684 3.960 -0.000 0.000 0.334 180 G HA3 0.724 4.684 3.960 -0.000 0.000 0.334 180 G C 0.033 174.805 174.900 -0.213 0.000 1.150 180 G CA 0.987 45.995 45.100 -0.153 0.000 0.923 180 G HN 1.342 nan 8.290 nan 0.000 0.485 181 T N -0.998 113.351 114.554 -0.342 0.000 2.904 181 T HA 0.315 4.664 4.350 -0.000 0.000 0.290 181 T C 0.649 175.041 174.700 -0.513 0.000 1.018 181 T CA -0.084 61.757 62.100 -0.432 0.000 1.075 181 T CB 1.057 69.594 68.868 -0.551 0.000 0.986 181 T HN 0.578 nan 8.240 nan 0.000 0.523 182 D N 2.022 122.206 120.400 -0.360 0.000 2.431 182 D HA 0.076 4.716 4.640 -0.000 0.000 0.213 182 D C 0.439 176.696 176.300 -0.071 0.000 1.130 182 D CA -0.388 53.487 54.000 -0.210 0.000 0.834 182 D CB -0.568 40.180 40.800 -0.086 0.000 0.985 182 D HN 0.553 nan 8.370 nan 0.000 0.504 183 F N 0.495 120.399 119.950 -0.076 0.000 3.006 183 F HA -0.318 4.209 4.527 -0.000 0.000 0.289 183 F C 1.993 177.767 175.800 -0.043 0.000 0.772 183 F CA 0.647 58.610 58.000 -0.062 0.000 1.162 183 F CB -2.558 36.401 39.000 -0.067 0.000 1.382 183 F HN 0.178 nan 8.300 nan 0.000 0.406 184 S N -1.113 114.622 115.700 0.057 0.000 2.368 184 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 184 S C 1.013 175.634 174.600 0.035 0.000 1.030 184 S CA 1.430 59.652 58.200 0.037 0.000 0.999 184 S CB -0.131 63.067 63.200 -0.004 0.000 0.844 184 S HN 0.804 nan 8.310 nan 0.000 0.459 185 T N -3.733 110.827 114.554 0.010 0.000 2.864 185 T HA 0.511 4.861 4.350 -0.000 0.000 0.299 185 T C 0.642 175.329 174.700 -0.022 0.000 1.166 185 T CA -0.152 61.951 62.100 0.005 0.000 1.007 185 T CB 1.209 70.064 68.868 -0.021 0.000 1.219 185 T HN -0.043 nan 8.240 nan 0.000 0.506 186 T N 0.690 115.241 114.554 -0.004 0.000 2.684 186 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 186 T C 1.709 176.277 174.700 -0.220 0.000 1.036 186 T CA 2.076 64.152 62.100 -0.040 0.000 1.148 186 T CB -0.477 68.468 68.868 0.127 0.000 0.863 186 T HN 0.891 nan 8.240 nan 0.000 0.436 187 E N 1.380 121.361 120.200 -0.365 0.000 2.106 187 E HA -0.187 4.163 4.350 -0.000 0.000 0.192 187 E C 2.267 178.735 176.600 -0.219 0.000 0.984 187 E CA 1.094 57.149 56.400 -0.574 0.000 0.806 187 E CB -0.248 28.896 29.700 -0.928 0.000 0.750 187 E HN 0.394 nan 8.360 nan 0.000 0.458 188 N N 0.400 119.002 118.700 -0.162 0.000 2.142 188 N HA -0.103 4.636 4.740 -0.000 0.000 0.186 188 N C 1.855 177.279 175.510 -0.144 0.000 1.023 188 N CA 1.548 54.527 53.050 -0.118 0.000 0.852 188 N CB -0.287 38.138 38.487 -0.104 0.000 0.998 188 N HN 0.298 nan 8.380 nan 0.000 0.424 189 G N -0.043 108.671 108.800 -0.142 0.000 2.848 189 G HA2 0.072 4.032 3.960 -0.000 0.000 0.208 189 G HA3 0.072 4.032 3.960 -0.000 0.000 0.208 189 G C 1.528 176.389 174.900 -0.065 0.000 1.152 189 G CA -0.064 44.972 45.100 -0.106 0.000 0.789 189 G HN 0.317 nan 8.290 nan 0.000 0.531 190 I N -1.608 118.830 120.570 -0.220 0.000 3.172 190 I HA 0.147 4.317 4.170 -0.000 0.000 0.278 190 I C 1.288 177.112 176.117 -0.490 0.000 1.174 190 I CA 0.314 61.379 61.300 -0.391 0.000 1.445 190 I CB 0.388 38.006 38.000 -0.637 0.000 1.175 190 I HN 0.079 nan 8.210 nan 0.000 0.447 191 Y N 1.251 121.477 120.300 -0.124 0.000 2.458 191 Y HA 0.281 4.831 4.550 -0.000 0.000 0.256 191 Y C 0.585 176.332 175.900 -0.255 0.000 1.159 191 Y CA -0.205 57.751 58.100 -0.240 0.000 1.261 191 Y CB 0.040 38.330 38.460 -0.285 0.000 1.119 191 Y HN -0.092 nan 8.280 nan 0.000 0.524 192 K N 0.166 120.525 120.400 -0.068 0.000 2.295 192 K HA 0.298 4.618 4.320 -0.000 0.000 0.239 192 K C -0.638 175.901 176.600 -0.101 0.000 0.991 192 K CA -1.244 54.992 56.287 -0.084 0.000 0.845 192 K CB 0.846 33.271 32.500 -0.125 0.000 1.197 192 K HN -0.149 nan 8.250 nan 0.000 0.441 193 N N 1.652 120.287 118.700 -0.108 0.000 2.492 193 N HA 0.003 4.743 4.740 -0.000 0.000 0.262 193 N C -0.687 174.652 175.510 -0.286 0.000 1.202 193 N CA -0.180 52.777 53.050 -0.156 0.000 0.926 193 N CB 0.294 38.694 38.487 -0.145 0.000 1.078 193 N HN 0.339 nan 8.380 nan 0.000 0.454 194 L N 5.917 126.937 121.223 -0.338 0.000 2.334 194 L HA 0.190 4.530 4.340 -0.000 0.000 0.286 194 L C -0.571 176.044 176.870 -0.425 0.000 1.108 194 L CA 0.215 54.718 54.840 -0.560 0.000 0.875 194 L CB -1.112 40.581 42.059 -0.612 0.000 1.246 194 L HN 0.491 nan 8.230 nan 0.000 0.439 195 Y N 1.661 121.797 120.300 -0.273 0.000 2.896 195 Y HA -0.351 4.199 4.550 -0.000 0.000 0.466 195 Y C 1.139 176.922 175.900 -0.195 0.000 1.199 195 Y CA 1.047 59.022 58.100 -0.207 0.000 2.510 195 Y CB -1.400 36.949 38.460 -0.185 0.000 1.232 195 Y HN 0.786 nan 8.280 nan 0.000 0.631 196 D N 0.855 121.279 120.400 0.040 0.000 2.501 196 D HA 0.290 4.930 4.640 -0.000 0.000 0.224 196 D C -0.403 175.808 176.300 -0.149 0.000 1.202 196 D CA 0.081 54.054 54.000 -0.046 0.000 0.829 196 D CB -0.667 40.158 40.800 0.042 0.000 1.023 196 D HN 0.401 nan 8.370 nan 0.000 0.499 197 L N 1.144 122.249 121.223 -0.198 0.000 2.367 197 L HA 0.474 4.814 4.340 -0.000 0.000 0.275 197 L C 0.808 177.505 176.870 -0.288 0.000 1.129 197 L CA -1.029 53.639 54.840 -0.287 0.000 0.839 197 L CB 1.002 42.776 42.059 -0.477 0.000 1.133 197 L HN -0.005 nan 8.230 nan 0.000 0.453 198 A N 2.459 125.080 122.820 -0.331 0.000 2.500 198 A HA 0.009 4.329 4.320 -0.000 0.000 0.285 198 A C 0.009 177.623 177.584 0.050 0.000 1.183 198 A CA -0.210 51.567 52.037 -0.433 0.000 0.851 198 A CB -0.553 18.056 19.000 -0.651 0.000 1.091 198 A HN 0.753 nan 8.150 nan 0.000 0.521 199 D N 2.277 122.686 120.400 0.014 0.000 2.417 199 D HA 0.329 4.969 4.640 -0.000 0.000 0.250 199 D C -0.044 176.270 176.300 0.023 0.000 1.166 199 D CA 0.318 54.365 54.000 0.079 0.000 0.881 199 D CB 0.343 41.192 40.800 0.080 0.000 1.164 199 D HN 0.465 nan 8.370 nan 0.000 0.467 200 L N 3.542 124.651 121.223 -0.189 0.000 2.371 200 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 200 L C 0.446 176.748 176.870 -0.946 0.000 1.124 200 L CA -0.536 53.940 54.840 -0.607 0.000 0.816 200 L CB 0.717 42.379 42.059 -0.661 0.000 1.129 200 L HN 0.430 nan 8.230 nan 0.000 0.448 201 N N 0.808 118.940 118.700 -0.947 0.000 2.500 201 N HA 0.111 4.851 4.740 -0.000 0.000 0.236 201 N C 0.439 175.533 175.510 -0.694 0.000 1.022 201 N CA -0.212 52.321 53.050 -0.862 0.000 0.935 201 N CB 0.462 38.600 38.487 -0.582 0.000 1.147 201 N HN 0.460 nan 8.380 nan 0.000 0.512 202 H N 1.328 120.122 119.070 -0.461 0.000 2.559 202 H HA 0.018 4.574 4.556 -0.000 0.000 0.273 202 H C 1.032 176.197 175.328 -0.271 0.000 1.000 202 H CA 0.599 56.274 56.048 -0.621 0.000 1.195 202 H CB 0.208 29.165 29.762 -1.341 0.000 1.368 202 H HN 0.545 nan 8.280 nan 0.000 0.592 203 N N 0.708 119.388 118.700 -0.034 0.000 2.467 203 N HA -0.111 4.629 4.740 -0.000 0.000 0.184 203 N C 0.047 175.570 175.510 0.022 0.000 1.106 203 N CA 0.010 53.097 53.050 0.061 0.000 0.892 203 N CB 0.078 38.639 38.487 0.124 0.000 0.969 203 N HN 0.208 nan 8.380 nan 0.000 0.454 204 N N 0.180 118.849 118.700 -0.051 0.000 2.414 204 N HA 0.038 4.777 4.740 -0.000 0.000 0.256 204 N C 0.293 175.800 175.510 -0.006 0.000 1.029 204 N CA 0.087 53.109 53.050 -0.045 0.000 0.948 204 N CB 1.055 39.478 38.487 -0.106 0.000 1.102 204 N HN 0.056 nan 8.380 nan 0.000 0.496 205 S N 2.689 118.408 115.700 0.032 0.000 2.392 205 S HA -0.190 4.280 4.470 -0.000 0.000 0.232 205 S C 1.658 176.300 174.600 0.069 0.000 1.041 205 S CA 1.881 60.120 58.200 0.066 0.000 1.026 205 S CB -0.415 62.819 63.200 0.058 0.000 0.845 205 S HN 0.705 nan 8.310 nan 0.000 0.465 206 T N 2.175 116.745 114.554 0.027 0.000 2.708 206 T HA -0.044 4.306 4.350 -0.000 0.000 0.266 206 T C 1.974 176.709 174.700 0.058 0.000 1.037 206 T CA 1.413 63.529 62.100 0.026 0.000 1.146 206 T CB -0.470 68.380 68.868 -0.030 0.000 0.865 206 T HN 0.284 nan 8.240 nan 0.000 0.435 207 V N 1.590 121.499 119.914 -0.008 0.000 2.379 207 V HA -0.144 3.976 4.120 -0.000 0.000 0.245 207 V C 2.311 178.498 176.094 0.154 0.000 1.044 207 V CA 1.902 64.201 62.300 -0.002 0.000 1.036 207 V CB -0.689 30.989 31.823 -0.243 0.000 0.664 207 V HN 0.495 nan 8.190 nan 0.000 0.453 208 D N 0.563 121.066 120.400 0.171 0.000 2.120 208 D HA -0.194 4.446 4.640 -0.000 0.000 0.191 208 D C 2.030 178.556 176.300 0.376 0.000 0.994 208 D CA 2.171 56.410 54.000 0.398 0.000 0.838 208 D CB -0.266 40.773 40.800 0.399 0.000 0.976 208 D HN 0.125 nan 8.370 nan 0.000 0.447 209 V N -0.162 119.902 119.914 0.250 0.000 2.324 209 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 209 V C 2.195 178.414 176.094 0.209 0.000 1.060 209 V CA 2.089 64.504 62.300 0.191 0.000 1.042 209 V CB -1.001 30.905 31.823 0.139 0.000 0.650 209 V HN 0.372 nan 8.190 nan 0.000 0.450 210 Y N 0.718 121.087 120.300 0.116 0.000 2.081 210 Y HA -0.257 4.292 4.550 -0.000 0.000 0.280 210 Y C 2.197 178.195 175.900 0.163 0.000 1.163 210 Y CA 1.843 60.011 58.100 0.113 0.000 1.135 210 Y CB -0.485 38.019 38.460 0.073 0.000 0.970 210 Y HN 0.170 nan 8.280 nan 0.000 0.498 211 L N 0.272 121.503 121.223 0.014 0.000 2.191 211 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 211 L C 2.388 179.392 176.870 0.224 0.000 1.103 211 L CA 1.345 56.210 54.840 0.041 0.000 0.769 211 L CB -0.495 41.754 42.059 0.317 0.000 0.908 211 L HN 0.234 nan 8.230 nan 0.000 0.438 212 K N -0.379 120.132 120.400 0.185 0.000 2.103 212 K HA -0.117 4.203 4.320 -0.000 0.000 0.204 212 K C 1.492 178.064 176.600 -0.047 0.000 1.052 212 K CA 1.051 57.360 56.287 0.036 0.000 0.945 212 K CB -0.149 32.360 32.500 0.015 0.000 0.722 212 K HN 0.235 nan 8.250 nan 0.000 0.443 213 D N 1.067 121.456 120.400 -0.019 0.000 2.117 213 D HA -0.063 4.577 4.640 -0.000 0.000 0.198 213 D C 1.903 178.192 176.300 -0.018 0.000 0.982 213 D CA 1.115 55.094 54.000 -0.035 0.000 0.828 213 D CB -0.113 40.699 40.800 0.019 0.000 0.967 213 D HN 0.126 nan 8.370 nan 0.000 0.464 214 A N 1.119 123.926 122.820 -0.022 0.000 1.859 214 A HA -0.213 4.107 4.320 -0.000 0.000 0.217 214 A C 2.273 180.020 177.584 0.272 0.000 1.198 214 A CA 1.427 53.538 52.037 0.124 0.000 0.629 214 A CB -0.969 18.085 19.000 0.090 0.000 0.830 214 A HN 0.251 nan 8.150 nan 0.000 0.446 215 I N -0.079 120.601 120.570 0.184 0.000 2.315 215 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 215 I C 2.181 178.337 176.117 0.065 0.000 1.125 215 I CA 1.769 63.093 61.300 0.041 0.000 1.392 215 I CB -0.271 37.599 38.000 -0.216 0.000 1.065 215 I HN 0.292 nan 8.210 nan 0.000 0.424 216 K N -0.265 120.138 120.400 0.005 0.000 2.057 216 K HA -0.237 4.083 4.320 -0.000 0.000 0.207 216 K C 2.157 178.800 176.600 0.072 0.000 1.049 216 K CA 2.072 58.375 56.287 0.027 0.000 0.931 216 K CB -0.405 31.996 32.500 -0.165 0.000 0.714 216 K HN 0.480 nan 8.250 nan 0.000 0.440 217 M N 0.042 119.634 119.600 -0.013 0.000 2.073 217 M HA -0.231 4.249 4.480 -0.000 0.000 0.258 217 M C 1.622 177.783 176.300 -0.232 0.000 1.070 217 M CA 2.033 57.230 55.300 -0.171 0.000 1.103 217 M CB -0.421 31.983 32.600 -0.326 0.000 1.321 217 M HN 0.161 nan 8.290 nan 0.000 0.405 218 W N 0.670 121.993 121.300 0.037 0.000 2.363 218 W HA -0.069 4.591 4.660 0.000 0.000 0.296 218 W C 2.164 178.731 176.519 0.081 0.000 1.212 218 W CA 1.013 58.383 57.345 0.041 0.000 1.260 218 W CB -0.713 28.751 29.460 0.007 0.000 1.131 218 W HN 0.242 nan 8.180 nan 0.000 0.530 219 L N -0.051 121.310 121.223 0.230 0.000 2.046 219 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 219 L C 1.807 178.758 176.870 0.136 0.000 1.077 219 L CA 1.294 56.237 54.840 0.172 0.000 0.747 219 L CB -0.715 41.441 42.059 0.163 0.000 0.896 219 L HN -0.086 nan 8.230 nan 0.000 0.432 220 D N -0.185 120.290 120.400 0.124 0.000 2.312 220 D HA -0.072 4.568 4.640 -0.000 0.000 0.211 220 D C 2.080 178.421 176.300 0.069 0.000 0.964 220 D CA 0.842 54.893 54.000 0.085 0.000 0.877 220 D CB 0.067 40.913 40.800 0.077 0.000 0.924 220 D HN 0.283 nan 8.370 nan 0.000 0.515 221 L N -0.714 120.566 121.223 0.095 0.000 2.599 221 L HA 0.161 4.501 4.340 -0.000 0.000 0.230 221 L C 1.330 178.309 176.870 0.183 0.000 1.141 221 L CA 0.333 55.260 54.840 0.144 0.000 0.877 221 L CB 0.052 42.219 42.059 0.181 0.000 1.009 221 L HN 0.128 nan 8.230 nan 0.000 0.447 222 G N 0.906 109.804 108.800 0.163 0.000 2.131 222 G HA2 -0.259 3.700 3.960 -0.000 0.000 0.223 222 G HA3 -0.259 3.700 3.960 -0.000 0.000 0.223 222 G C 0.388 175.403 174.900 0.192 0.000 0.990 222 G CA 0.130 45.325 45.100 0.158 0.000 0.671 222 G HN 0.409 nan 8.290 nan 0.000 0.521 223 I N -2.525 118.185 120.570 0.234 0.000 2.993 223 I HA 0.412 4.581 4.170 -0.000 0.000 0.286 223 I C 0.778 177.039 176.117 0.241 0.000 1.215 223 I CA 0.208 61.652 61.300 0.240 0.000 1.393 223 I CB 0.490 38.661 38.000 0.285 0.000 1.371 223 I HN -0.067 nan 8.210 nan 0.000 0.602 224 D N 2.224 122.793 120.400 0.281 0.000 2.454 224 D HA 0.258 4.898 4.640 -0.000 0.000 0.214 224 D C 0.577 177.105 176.300 0.380 0.000 1.088 224 D CA 0.376 54.593 54.000 0.362 0.000 0.855 224 D CB 1.285 42.361 40.800 0.459 0.000 1.025 224 D HN 0.840 nan 8.370 nan 0.000 0.502 225 G N 0.433 109.372 108.800 0.231 0.000 2.623 225 G HA2 0.595 4.555 3.960 -0.000 0.000 0.290 225 G HA3 0.595 4.555 3.960 -0.000 0.000 0.290 225 G C -1.715 173.182 174.900 -0.005 0.000 1.437 225 G CA -0.621 44.525 45.100 0.076 0.000 0.798 225 G HN -0.024 nan 8.290 nan 0.000 0.488 226 I N 0.211 120.701 120.570 -0.134 0.000 2.582 226 I HA 0.518 4.688 4.170 -0.000 0.000 0.292 226 I C -0.130 175.648 176.117 -0.566 0.000 1.066 226 I CA -0.815 60.344 61.300 -0.234 0.000 1.053 226 I CB 2.590 40.497 38.000 -0.155 0.000 1.241 226 I HN 0.315 nan 8.210 nan 0.000 0.421 227 R N 6.982 127.092 120.500 -0.650 0.000 2.275 227 R HA 0.474 4.814 4.340 -0.000 0.000 0.326 227 R C -1.081 174.942 176.300 -0.461 0.000 0.973 227 R CA -0.740 54.728 56.100 -1.054 0.000 0.854 227 R CB 0.934 30.336 30.300 -1.496 0.000 1.156 227 R HN 0.561 nan 8.270 nan 0.000 0.487 228 M N 3.236 122.620 119.600 -0.361 0.000 2.184 228 M HA 0.070 4.550 4.480 -0.000 0.000 0.351 228 M C -0.135 176.143 176.300 -0.036 0.000 1.395 228 M CA -0.071 55.169 55.300 -0.100 0.000 1.117 228 M CB 0.605 33.177 32.600 -0.047 0.000 1.708 228 M HN 0.495 nan 8.290 nan 0.000 0.468 229 D N 2.583 123.012 120.400 0.048 0.000 2.264 229 D HA 0.473 5.113 4.640 -0.000 0.000 0.249 229 D C 0.276 176.620 176.300 0.073 0.000 1.070 229 D CA 0.153 54.215 54.000 0.104 0.000 0.912 229 D CB 0.915 41.827 40.800 0.186 0.000 1.193 229 D HN 0.822 nan 8.370 nan 0.000 0.427 230 A N 2.374 125.259 122.820 0.109 0.000 2.511 230 A HA -0.168 4.152 4.320 -0.000 0.000 0.297 230 A C 1.466 179.070 177.584 0.034 0.000 1.476 230 A CA 1.009 53.145 52.037 0.165 0.000 0.757 230 A CB -2.237 16.905 19.000 0.237 0.000 1.072 230 A HN 1.076 nan 8.150 nan 0.000 0.413 231 V N -1.152 118.706 119.914 -0.094 0.000 2.759 231 V HA -0.160 3.960 4.120 -0.000 0.000 0.256 231 V C 1.935 177.722 176.094 -0.513 0.000 1.080 231 V CA 2.245 64.416 62.300 -0.215 0.000 1.101 231 V CB -0.651 31.074 31.823 -0.163 0.000 0.698 231 V HN 0.961 nan 8.190 nan 0.000 0.477 232 K N -0.861 119.030 120.400 -0.848 0.000 2.444 232 K HA 0.022 4.342 4.320 -0.000 0.000 0.193 232 K C 1.199 177.284 176.600 -0.858 0.000 1.024 232 K CA 0.665 56.175 56.287 -1.295 0.000 1.077 232 K CB -0.305 30.884 32.500 -2.185 0.000 0.833 232 K HN 0.616 nan 8.250 nan 0.000 0.517 233 H N 0.136 119.024 119.070 -0.302 0.000 2.594 233 H HA 0.335 4.891 4.556 -0.000 0.000 0.279 233 H C -0.050 175.166 175.328 -0.187 0.000 1.042 233 H CA -0.038 55.879 56.048 -0.217 0.000 1.177 233 H CB 0.316 29.995 29.762 -0.138 0.000 1.524 233 H HN 0.165 nan 8.280 nan 0.000 0.537 234 M N 1.256 120.806 119.600 -0.083 0.000 2.602 234 M HA 0.352 4.832 4.480 -0.000 0.000 0.312 234 M C -2.588 173.695 176.300 -0.029 0.000 1.181 234 M CA -1.956 53.314 55.300 -0.051 0.000 0.910 234 M CB 2.795 35.391 32.600 -0.007 0.000 1.723 234 M HN -0.216 nan 8.290 nan 0.000 0.459 235 P HA 0.050 nan 4.420 nan 0.000 0.267 235 P C -0.023 177.464 177.300 0.311 0.000 1.205 235 P CA -0.040 63.047 63.100 -0.022 0.000 0.765 235 P CB 0.124 31.872 31.700 0.081 0.000 0.828 236 F N 2.372 122.463 119.950 0.234 0.000 2.126 236 F HA -0.095 4.432 4.527 -0.000 0.000 0.299 236 F C 2.523 178.464 175.800 0.236 0.000 1.096 236 F CA 1.584 59.825 58.000 0.403 0.000 1.255 236 F CB -2.310 36.993 39.000 0.504 0.000 0.997 236 F HN 0.358 nan 8.300 nan 0.000 0.479 237 G N -1.022 107.958 108.800 0.300 0.000 2.446 237 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.217 237 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.217 237 G C 1.602 176.640 174.900 0.230 0.000 1.168 237 G CA 0.715 45.944 45.100 0.216 0.000 0.771 237 G HN 0.461 nan 8.290 nan 0.000 0.551 238 W N 1.507 122.874 121.300 0.112 0.000 2.333 238 W HA -0.132 4.528 4.660 -0.000 0.000 0.316 238 W C 2.961 179.551 176.519 0.118 0.000 1.215 238 W CA 1.966 59.368 57.345 0.095 0.000 1.278 238 W CB -0.295 29.184 29.460 0.032 0.000 1.154 238 W HN 0.313 nan 8.180 nan 0.000 0.486 239 Q N 0.144 120.062 119.800 0.196 0.000 2.112 239 Q HA -0.312 4.028 4.340 -0.000 0.000 0.206 239 Q C 2.187 178.166 176.000 -0.036 0.000 0.987 239 Q CA 2.146 57.979 55.803 0.049 0.000 0.858 239 Q CB -0.568 28.380 28.738 0.350 0.000 0.905 239 Q HN 0.370 nan 8.270 nan 0.000 0.420 240 K N 0.674 121.075 120.400 0.001 0.000 2.057 240 K HA -0.175 4.145 4.320 -0.000 0.000 0.207 240 K C 2.339 178.882 176.600 -0.095 0.000 1.049 240 K CA 1.609 57.866 56.287 -0.051 0.000 0.931 240 K CB -0.110 32.382 32.500 -0.013 0.000 0.714 240 K HN 0.214 nan 8.250 nan 0.000 0.440 241 S N -0.228 115.390 115.700 -0.135 0.000 2.423 241 S HA -0.159 4.311 4.470 -0.000 0.000 0.231 241 S C 1.865 176.295 174.600 -0.283 0.000 1.014 241 S CA 0.740 58.832 58.200 -0.180 0.000 0.965 241 S CB -0.507 62.603 63.200 -0.150 0.000 0.785 241 S HN 0.444 nan 8.310 nan 0.000 0.495 242 F N 1.488 121.071 119.950 -0.613 0.000 2.206 242 F HA 0.205 4.732 4.527 -0.000 0.000 0.298 242 F C 2.227 177.827 175.800 -0.335 0.000 1.090 242 F CA 1.054 58.676 58.000 -0.630 0.000 1.323 242 F CB -0.238 38.136 39.000 -1.042 0.000 1.028 242 F HN 0.124 nan 8.300 nan 0.000 0.492 243 M N 0.516 120.065 119.600 -0.085 0.000 2.132 243 M HA -0.060 4.420 4.480 -0.000 0.000 0.263 243 M C 2.528 178.727 176.300 -0.168 0.000 1.065 243 M CA 1.576 56.819 55.300 -0.094 0.000 1.122 243 M CB -1.770 30.804 32.600 -0.043 0.000 1.365 243 M HN 0.295 nan 8.290 nan 0.000 0.411 244 A N -0.185 122.542 122.820 -0.155 0.000 1.972 244 A HA -0.002 4.318 4.320 -0.000 0.000 0.219 244 A C 2.369 179.863 177.584 -0.149 0.000 1.169 244 A CA 1.911 53.873 52.037 -0.125 0.000 0.635 244 A CB -0.850 18.092 19.000 -0.097 0.000 0.810 244 A HN 0.485 nan 8.150 nan 0.000 0.446 245 A N -0.595 122.078 122.820 -0.244 0.000 1.933 245 A HA -0.000 4.320 4.320 -0.000 0.000 0.218 245 A C 2.240 179.687 177.584 -0.228 0.000 1.175 245 A CA 1.852 53.727 52.037 -0.270 0.000 0.628 245 A CB -0.789 17.956 19.000 -0.425 0.000 0.814 245 A HN 0.352 nan 8.150 nan 0.000 0.444 246 V N 0.823 120.557 119.914 -0.300 0.000 2.255 246 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 246 V C 2.218 178.278 176.094 -0.057 0.000 1.038 246 V CA 2.068 64.257 62.300 -0.186 0.000 1.008 246 V CB -0.948 30.733 31.823 -0.236 0.000 0.645 246 V HN 0.553 nan 8.190 nan 0.000 0.449 247 N N 1.129 119.791 118.700 -0.064 0.000 2.205 247 N HA -0.133 4.607 4.740 -0.000 0.000 0.186 247 N C 1.404 176.917 175.510 0.005 0.000 1.015 247 N CA 1.195 54.234 53.050 -0.018 0.000 0.862 247 N CB -0.574 37.900 38.487 -0.021 0.000 0.986 247 N HN 0.455 nan 8.380 nan 0.000 0.429 248 N N -0.601 118.101 118.700 0.003 0.000 2.461 248 N HA -0.056 4.684 4.740 -0.000 0.000 0.188 248 N C 0.799 176.369 175.510 0.100 0.000 1.134 248 N CA 0.252 53.321 53.050 0.031 0.000 0.878 248 N CB 0.169 38.661 38.487 0.008 0.000 0.972 248 N HN 0.395 nan 8.380 nan 0.000 0.456 249 Y N 0.367 120.630 120.300 -0.062 0.000 2.886 249 Y HA 0.355 4.905 4.550 -0.000 0.000 0.244 249 Y C -0.400 175.480 175.900 -0.034 0.000 1.017 249 Y CA 0.444 58.512 58.100 -0.053 0.000 1.389 249 Y CB 0.771 39.186 38.460 -0.075 0.000 1.477 249 Y HN -0.320 nan 8.280 nan 0.000 0.466 250 K N 2.097 122.413 120.400 -0.139 0.000 2.756 250 K HA 0.313 4.633 4.320 -0.000 0.000 0.218 250 K C -2.926 173.648 176.600 -0.044 0.000 1.057 250 K CA -2.096 54.077 56.287 -0.190 0.000 1.056 250 K CB 1.659 33.996 32.500 -0.272 0.000 1.235 250 K HN -0.000 nan 8.250 nan 0.000 0.547 251 P HA -0.040 nan 4.420 nan 0.000 0.265 251 P C -0.638 176.706 177.300 0.072 0.000 1.193 251 P CA -0.248 62.872 63.100 0.034 0.000 0.765 251 P CB 0.782 32.516 31.700 0.058 0.000 0.823 252 V N 1.577 121.548 119.914 0.095 0.000 2.891 252 V HA 0.463 4.583 4.120 -0.000 0.000 0.304 252 V C -0.851 175.348 176.094 0.174 0.000 1.171 252 V CA -1.326 61.071 62.300 0.162 0.000 0.943 252 V CB 1.526 33.433 31.823 0.140 0.000 1.037 252 V HN 0.303 nan 8.190 nan 0.000 0.427 253 F N 3.947 123.963 119.950 0.110 0.000 2.569 253 F HA 0.490 5.017 4.527 -0.000 0.000 0.395 253 F C 0.528 176.314 175.800 -0.024 0.000 1.028 253 F CA 1.282 59.306 58.000 0.040 0.000 1.158 253 F CB 0.160 39.128 39.000 -0.053 0.000 1.023 253 F HN 0.800 nan 8.300 nan 0.000 0.547 254 T N 8.294 122.526 114.554 -0.537 0.000 2.824 254 T HA 0.591 4.941 4.350 -0.000 0.000 0.282 254 T C -1.132 173.286 174.700 -0.470 0.000 0.993 254 T CA -0.330 61.516 62.100 -0.424 0.000 0.967 254 T CB 1.003 69.755 68.868 -0.194 0.000 0.960 254 T HN 0.408 nan 8.240 nan 0.000 0.441 255 F N -0.304 119.349 119.950 -0.494 0.000 2.574 255 F HA 0.857 5.384 4.527 -0.000 0.000 0.313 255 F C -0.080 175.634 175.800 -0.144 0.000 1.130 255 F CA -1.345 56.460 58.000 -0.324 0.000 0.936 255 F CB 0.933 39.730 39.000 -0.338 0.000 1.219 255 F HN 0.710 nan 8.300 nan 0.000 0.445 256 G N 1.105 109.935 108.800 0.050 0.000 2.509 256 G HA2 0.455 4.415 3.960 -0.000 0.000 0.328 256 G HA3 0.455 4.415 3.960 -0.000 0.000 0.328 256 G C -1.643 173.370 174.900 0.189 0.000 1.194 256 G CA -0.782 44.348 45.100 0.050 0.000 0.967 256 G HN 0.847 nan 8.290 nan 0.000 0.488 257 E N 0.556 120.857 120.200 0.169 0.000 2.081 257 E HA 0.100 4.450 4.350 -0.000 0.000 0.281 257 E C -1.253 175.497 176.600 0.249 0.000 0.986 257 E CA -0.724 55.859 56.400 0.305 0.000 0.796 257 E CB 0.824 30.705 29.700 0.302 0.000 1.085 257 E HN 0.470 nan 8.360 nan 0.000 0.398 258 W N 7.946 129.309 121.300 0.105 0.000 2.416 258 W HA 0.236 4.895 4.660 -0.000 0.000 0.294 258 W C -1.236 175.080 176.519 -0.339 0.000 0.966 258 W CA -1.534 55.762 57.345 -0.082 0.000 1.686 258 W CB -0.186 29.226 29.460 -0.080 0.000 1.612 258 W HN 0.459 nan 8.180 nan 0.000 0.420 259 F N 4.451 124.138 119.950 -0.438 0.000 2.604 259 F HA 0.012 4.539 4.527 -0.000 0.000 0.393 259 F C -0.097 175.424 175.800 -0.465 0.000 1.043 259 F CA 1.367 58.802 58.000 -0.941 0.000 1.227 259 F CB 0.486 39.158 39.000 -0.546 0.000 1.016 259 F HN 0.094 nan 8.300 nan 0.000 0.556 260 L N 5.068 125.905 121.223 -0.644 0.000 2.408 260 L HA 0.568 4.908 4.340 -0.000 0.000 0.268 260 L C 0.383 177.279 176.870 0.043 0.000 0.986 260 L CA -0.800 54.008 54.840 -0.052 0.000 0.820 260 L CB 1.918 44.020 42.059 0.072 0.000 1.303 260 L HN 0.695 nan 8.230 nan 0.000 0.411 261 G N 1.172 110.066 108.800 0.156 0.000 2.557 261 G HA2 0.468 4.428 3.960 -0.000 0.000 0.302 261 G HA3 0.468 4.428 3.960 -0.000 0.000 0.302 261 G C -0.493 174.483 174.900 0.127 0.000 1.311 261 G CA -0.589 44.620 45.100 0.181 0.000 1.030 261 G HN 0.273 nan 8.290 nan 0.000 0.509 262 V N 1.664 121.645 119.914 0.113 0.000 2.617 262 V HA -0.010 4.110 4.120 -0.000 0.000 0.304 262 V C 0.765 176.899 176.094 0.066 0.000 1.040 262 V CA 0.567 62.916 62.300 0.080 0.000 1.149 262 V CB 0.637 32.499 31.823 0.065 0.000 0.914 262 V HN 0.914 nan 8.190 nan 0.000 0.487 263 N N 2.802 121.538 118.700 0.058 0.000 2.713 263 N HA -0.173 4.567 4.740 -0.000 0.000 0.251 263 N C 0.278 175.821 175.510 0.055 0.000 1.117 263 N CA 1.222 54.303 53.050 0.050 0.000 0.770 263 N CB -0.550 37.960 38.487 0.038 0.000 1.137 263 N HN 0.836 nan 8.380 nan 0.000 0.566 264 E N 0.734 120.975 120.200 0.068 0.000 2.146 264 E HA 0.382 4.732 4.350 -0.000 0.000 0.282 264 E C -0.667 175.966 176.600 0.057 0.000 0.989 264 E CA -0.339 56.099 56.400 0.063 0.000 0.799 264 E CB 1.219 30.965 29.700 0.078 0.000 1.088 264 E HN -0.048 nan 8.360 nan 0.000 0.397 265 V N 3.614 123.546 119.914 0.029 0.000 2.398 265 V HA 0.150 4.270 4.120 -0.000 0.000 0.282 265 V C -0.098 175.937 176.094 -0.097 0.000 1.014 265 V CA -0.688 61.611 62.300 -0.001 0.000 0.838 265 V CB 1.382 33.234 31.823 0.048 0.000 1.018 265 V HN 0.543 nan 8.190 nan 0.000 0.432 266 S N 6.483 122.046 115.700 -0.229 0.000 2.462 266 S HA 0.582 5.052 4.470 -0.000 0.000 0.294 266 S C -1.609 172.613 174.600 -0.630 0.000 1.144 266 S CA -1.470 56.553 58.200 -0.295 0.000 1.088 266 S CB 2.014 65.098 63.200 -0.193 0.000 1.009 266 S HN 0.476 nan 8.310 nan 0.000 0.484 267 P HA 0.096 nan 4.420 nan 0.000 0.224 267 P C 0.920 178.086 177.300 -0.224 0.000 1.157 267 P CA 0.624 63.536 63.100 -0.312 0.000 0.799 267 P CB 0.162 31.821 31.700 -0.068 0.000 0.809 268 E N -0.332 119.782 120.200 -0.143 0.000 2.153 268 E HA -0.171 4.179 4.350 -0.000 0.000 0.194 268 E C 2.046 178.415 176.600 -0.385 0.000 0.988 268 E CA 0.642 57.034 56.400 -0.014 0.000 0.811 268 E CB -0.296 29.568 29.700 0.274 0.000 0.746 268 E HN 0.159 nan 8.360 nan 0.000 0.466 269 N N 0.168 118.392 118.700 -0.793 0.000 2.216 269 N HA -0.152 4.588 4.740 -0.000 0.000 0.183 269 N C 1.467 176.725 175.510 -0.419 0.000 1.017 269 N CA 1.189 53.506 53.050 -1.223 0.000 0.861 269 N CB -0.011 37.754 38.487 -1.204 0.000 0.986 269 N HN 0.394 nan 8.380 nan 0.000 0.428 270 H N 0.285 119.179 119.070 -0.293 0.000 2.321 270 H HA -0.031 4.524 4.556 -0.000 0.000 0.300 270 H C 2.129 177.399 175.328 -0.098 0.000 1.087 270 H CA 1.190 57.090 56.048 -0.248 0.000 1.319 270 H CB 0.136 29.687 29.762 -0.350 0.000 1.379 270 H HN 0.163 nan 8.280 nan 0.000 0.501 271 K N 0.500 120.927 120.400 0.046 0.000 2.097 271 K HA -0.179 4.141 4.320 -0.000 0.000 0.206 271 K C 1.942 178.571 176.600 0.048 0.000 1.049 271 K CA 1.111 57.431 56.287 0.056 0.000 0.933 271 K CB -0.122 32.430 32.500 0.087 0.000 0.717 271 K HN 0.124 nan 8.250 nan 0.000 0.442 272 F N 1.115 120.980 119.950 -0.141 0.000 2.046 272 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 272 F C 2.103 177.878 175.800 -0.041 0.000 1.123 272 F CA 1.805 59.704 58.000 -0.168 0.000 1.199 272 F CB -0.530 38.284 39.000 -0.310 0.000 0.972 272 F HN 0.061 nan 8.300 nan 0.000 0.474 273 A N 0.157 123.083 122.820 0.177 0.000 1.978 273 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 273 A C 1.859 179.483 177.584 0.066 0.000 1.170 273 A CA 2.046 54.182 52.037 0.166 0.000 0.636 273 A CB -0.804 18.401 19.000 0.341 0.000 0.810 273 A HN 0.557 nan 8.150 nan 0.000 0.448 274 N N -0.551 118.181 118.700 0.053 0.000 2.395 274 N HA -0.005 4.735 4.740 -0.000 0.000 0.175 274 N C 1.281 176.768 175.510 -0.039 0.000 1.029 274 N CA 1.351 54.415 53.050 0.022 0.000 0.897 274 N CB -0.036 38.470 38.487 0.032 0.000 0.991 274 N HN 0.737 nan 8.380 nan 0.000 0.441 275 E N -0.411 119.733 120.200 -0.094 0.000 2.391 275 E HA 0.062 4.412 4.350 -0.000 0.000 0.206 275 E C 1.649 178.126 176.600 -0.204 0.000 0.851 275 E CA 0.278 56.611 56.400 -0.112 0.000 1.059 275 E CB 0.095 29.763 29.700 -0.053 0.000 1.065 275 E HN 0.203 nan 8.360 nan 0.000 0.512 276 S N 0.565 116.020 115.700 -0.408 0.000 2.402 276 S HA -0.141 4.329 4.470 -0.000 0.000 0.233 276 S C 1.885 176.286 174.600 -0.332 0.000 1.030 276 S CA 1.470 59.311 58.200 -0.598 0.000 1.003 276 S CB -0.418 61.840 63.200 -1.570 0.000 0.813 276 S HN 0.457 nan 8.310 nan 0.000 0.477 277 G N 0.879 109.535 108.800 -0.240 0.000 2.179 277 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.220 277 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.220 277 G C -0.052 174.779 174.900 -0.115 0.000 0.990 277 G CA 0.205 45.214 45.100 -0.152 0.000 0.646 277 G HN 1.084 nan 8.290 nan 0.000 0.517 278 M N 0.345 119.865 119.600 -0.133 0.000 2.644 278 M HA 0.827 5.307 4.480 -0.000 0.000 0.304 278 M C 0.314 176.602 176.300 -0.020 0.000 1.215 278 M CA -0.163 55.090 55.300 -0.077 0.000 0.871 278 M CB 2.112 34.696 32.600 -0.025 0.000 1.740 278 M HN 0.608 nan 8.290 nan 0.000 0.464 279 S N 1.832 117.518 115.700 -0.024 0.000 2.690 279 S HA 0.884 5.354 4.470 -0.000 0.000 0.285 279 S C -0.486 174.202 174.600 0.146 0.000 1.135 279 S CA -0.788 57.440 58.200 0.046 0.000 1.020 279 S CB 1.147 64.363 63.200 0.028 0.000 1.159 279 S HN 0.765 nan 8.310 nan 0.000 0.534 280 L N -0.451 120.856 121.223 0.139 0.000 2.359 280 L HA 0.502 4.842 4.340 -0.000 0.000 0.256 280 L C -1.070 175.931 176.870 0.219 0.000 1.026 280 L CA -0.994 53.991 54.840 0.241 0.000 0.828 280 L CB 1.575 43.805 42.059 0.285 0.000 1.406 280 L HN 0.585 nan 8.230 nan 0.000 0.413 281 L N 1.327 122.771 121.223 0.368 0.000 2.410 281 L HA 0.091 4.431 4.340 -0.000 0.000 0.273 281 L C 0.223 177.333 176.870 0.400 0.000 1.144 281 L CA 0.084 55.150 54.840 0.376 0.000 0.863 281 L CB 0.113 42.406 42.059 0.389 0.000 1.140 281 L HN 0.473 nan 8.230 nan 0.000 0.463 282 D N 3.030 123.567 120.400 0.228 0.000 2.541 282 D HA -0.003 4.637 4.640 -0.000 0.000 0.231 282 D C 0.869 177.161 176.300 -0.013 0.000 1.163 282 D CA 0.308 54.359 54.000 0.085 0.000 1.077 282 D CB 0.200 40.945 40.800 -0.091 0.000 1.110 282 D HN 0.314 nan 8.370 nan 0.000 0.499 283 F N 1.155 121.171 119.950 0.109 0.000 2.259 283 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 283 F C 2.542 178.327 175.800 -0.025 0.000 1.088 283 F CA 0.492 58.484 58.000 -0.013 0.000 1.358 283 F CB 0.088 39.105 39.000 0.030 0.000 1.040 283 F HN 0.228 nan 8.300 nan 0.000 0.505 284 R N -0.439 120.213 120.500 0.254 0.000 2.083 284 R HA -0.227 4.113 4.340 -0.000 0.000 0.237 284 R C 2.316 178.712 176.300 0.159 0.000 1.137 284 R CA 2.001 58.228 56.100 0.213 0.000 0.951 284 R CB -0.966 29.506 30.300 0.285 0.000 0.851 284 R HN 0.314 nan 8.270 nan 0.000 0.434 285 F N 0.926 120.868 119.950 -0.013 0.000 2.075 285 F HA -0.181 4.346 4.527 -0.000 0.000 0.297 285 F C 2.256 177.991 175.800 -0.108 0.000 1.113 285 F CA 1.596 59.572 58.000 -0.042 0.000 1.218 285 F CB -0.529 38.418 39.000 -0.089 0.000 0.984 285 F HN 0.043 nan 8.300 nan 0.000 0.472 286 A N 0.246 123.042 122.820 -0.040 0.000 1.883 286 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 286 A C 2.155 179.668 177.584 -0.119 0.000 1.186 286 A CA 1.854 53.722 52.037 -0.281 0.000 0.624 286 A CB -0.872 17.492 19.000 -1.060 0.000 0.822 286 A HN 0.555 nan 8.150 nan 0.000 0.444 287 Q N -0.558 119.207 119.800 -0.058 0.000 2.050 287 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 287 Q C 2.099 178.105 176.000 0.010 0.000 0.980 287 Q CA 1.888 57.702 55.803 0.018 0.000 0.840 287 Q CB -0.413 28.365 28.738 0.066 0.000 0.898 287 Q HN 0.643 nan 8.270 nan 0.000 0.424 288 K N 0.772 121.162 120.400 -0.018 0.000 2.057 288 K HA -0.062 4.258 4.320 -0.000 0.000 0.206 288 K C 1.969 178.544 176.600 -0.041 0.000 1.050 288 K CA 0.716 56.981 56.287 -0.036 0.000 0.935 288 K CB -0.406 32.064 32.500 -0.050 0.000 0.715 288 K HN -0.026 nan 8.250 nan 0.000 0.439 289 V N 1.181 121.050 119.914 -0.074 0.000 2.594 289 V HA -0.228 3.892 4.120 -0.000 0.000 0.253 289 V C 2.177 178.440 176.094 0.282 0.000 1.069 289 V CA 1.917 64.250 62.300 0.055 0.000 1.082 289 V CB -0.416 31.346 31.823 -0.103 0.000 0.680 289 V HN 0.329 nan 8.190 nan 0.000 0.469 290 R N -0.598 120.013 120.500 0.186 0.000 2.075 290 R HA -0.081 4.259 4.340 -0.000 0.000 0.226 290 R C 2.337 178.667 176.300 0.051 0.000 1.114 290 R CA 1.144 57.344 56.100 0.167 0.000 0.972 290 R CB -0.295 30.058 30.300 0.089 0.000 0.869 290 R HN 0.588 nan 8.270 nan 0.000 0.437 291 Q N 0.363 120.175 119.800 0.020 0.000 2.124 291 Q HA -0.105 4.235 4.340 -0.000 0.000 0.202 291 Q C 2.195 178.162 176.000 -0.054 0.000 0.977 291 Q CA 1.442 57.232 55.803 -0.021 0.000 0.850 291 Q CB -0.056 28.669 28.738 -0.023 0.000 0.901 291 Q HN 0.155 nan 8.270 nan 0.000 0.429 292 V N -0.107 119.760 119.914 -0.077 0.000 2.283 292 V HA -0.182 3.938 4.120 -0.000 0.000 0.243 292 V C 1.679 177.581 176.094 -0.319 0.000 1.039 292 V CA 1.745 63.888 62.300 -0.262 0.000 1.016 292 V CB -0.406 31.147 31.823 -0.449 0.000 0.650 292 V HN 0.241 nan 8.190 nan 0.000 0.449 293 F N -0.797 119.149 119.950 -0.007 0.000 2.530 293 F HA 0.213 4.740 4.527 -0.000 0.000 0.292 293 F C 2.364 178.217 175.800 0.089 0.000 1.109 293 F CA 0.708 58.757 58.000 0.082 0.000 1.450 293 F CB -0.143 38.971 39.000 0.190 0.000 1.114 293 F HN -0.103 nan 8.300 nan 0.000 0.560 294 R N 0.591 121.168 120.500 0.129 0.000 2.024 294 R HA -0.008 4.332 4.340 -0.000 0.000 0.216 294 R C 1.392 177.609 176.300 -0.139 0.000 1.259 294 R CA 1.234 57.208 56.100 -0.210 0.000 1.001 294 R CB -0.247 29.623 30.300 -0.717 0.000 0.881 294 R HN 0.063 nan 8.270 nan 0.000 0.459 295 D N 0.547 120.877 120.400 -0.118 0.000 2.347 295 D HA -0.026 4.614 4.640 -0.000 0.000 0.213 295 D C -0.399 175.866 176.300 -0.058 0.000 0.985 295 D CA 0.413 54.363 54.000 -0.084 0.000 0.879 295 D CB -0.163 40.594 40.800 -0.071 0.000 0.919 295 D HN 0.350 nan 8.370 nan 0.000 0.526 296 N N 0.198 118.862 118.700 -0.059 0.000 2.727 296 N HA -0.160 4.580 4.740 -0.000 0.000 0.251 296 N C 0.115 175.594 175.510 -0.052 0.000 1.040 296 N CA 0.797 53.810 53.050 -0.063 0.000 0.712 296 N CB -1.531 36.925 38.487 -0.053 0.000 0.912 296 N HN 0.254 nan 8.380 nan 0.000 0.545 297 T N -4.720 109.805 114.554 -0.048 0.000 3.129 297 T HA 0.279 4.629 4.350 -0.000 0.000 0.267 297 T C -0.102 174.578 174.700 -0.033 0.000 1.018 297 T CA -0.216 61.864 62.100 -0.034 0.000 0.903 297 T CB 0.779 69.633 68.868 -0.024 0.000 1.067 297 T HN 0.271 nan 8.240 nan 0.000 0.549 298 D N 0.950 121.320 120.400 -0.051 0.000 2.653 298 D HA 0.353 4.992 4.640 -0.000 0.000 0.258 298 D C -1.499 174.750 176.300 -0.085 0.000 1.252 298 D CA -0.446 53.524 54.000 -0.050 0.000 0.777 298 D CB 1.918 42.691 40.800 -0.044 0.000 1.339 298 D HN 0.285 nan 8.370 nan 0.000 0.422 299 N N 0.109 118.771 118.700 -0.064 0.000 2.890 299 N HA 0.268 5.008 4.740 -0.000 0.000 0.317 299 N C 1.048 176.475 175.510 -0.139 0.000 1.355 299 N CA -0.510 52.480 53.050 -0.099 0.000 0.803 299 N CB 0.170 38.648 38.487 -0.014 0.000 1.465 299 N HN 0.199 nan 8.380 nan 0.000 0.591 300 M N -0.679 118.794 119.600 -0.211 0.000 2.143 300 M HA -0.130 4.350 4.480 -0.000 0.000 0.258 300 M C 1.368 177.523 176.300 -0.241 0.000 1.071 300 M CA 1.723 56.853 55.300 -0.283 0.000 1.088 300 M CB -1.498 30.902 32.600 -0.333 0.000 1.360 300 M HN 0.546 nan 8.290 nan 0.000 0.404 301 Y N -0.117 120.146 120.300 -0.062 0.000 2.274 301 Y HA -0.089 4.461 4.550 -0.000 0.000 0.290 301 Y C 2.610 178.486 175.900 -0.039 0.000 1.145 301 Y CA 1.435 59.510 58.100 -0.042 0.000 1.203 301 Y CB -1.232 37.204 38.460 -0.040 0.000 0.984 301 Y HN 0.331 nan 8.280 nan 0.000 0.533 302 G N -0.755 108.087 108.800 0.070 0.000 2.421 302 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.217 302 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.217 302 G C 1.556 176.449 174.900 -0.011 0.000 1.143 302 G CA 0.551 45.666 45.100 0.024 0.000 0.784 302 G HN 0.294 nan 8.290 nan 0.000 0.541 303 L N 0.866 122.051 121.223 -0.063 0.000 2.072 303 L HA 0.158 4.498 4.340 -0.000 0.000 0.205 303 L C 2.654 179.521 176.870 -0.005 0.000 1.079 303 L CA 2.080 56.874 54.840 -0.077 0.000 0.752 303 L CB -0.464 41.483 42.059 -0.187 0.000 0.906 303 L HN 0.282 nan 8.230 nan 0.000 0.436 304 K N -0.668 119.731 120.400 -0.000 0.000 2.057 304 K HA -0.127 4.193 4.320 -0.000 0.000 0.206 304 K C 1.947 178.581 176.600 0.057 0.000 1.050 304 K CA 1.272 57.582 56.287 0.037 0.000 0.935 304 K CB -0.181 32.341 32.500 0.037 0.000 0.715 304 K HN 0.331 nan 8.250 nan 0.000 0.439 305 A N 1.930 124.786 122.820 0.059 0.000 1.902 305 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 305 A C 2.196 179.813 177.584 0.056 0.000 1.181 305 A CA 1.587 53.658 52.037 0.058 0.000 0.623 305 A CB -0.604 18.429 19.000 0.056 0.000 0.818 305 A HN 0.502 nan 8.150 nan 0.000 0.443 306 M N -0.196 119.437 119.600 0.055 0.000 2.067 306 M HA -0.124 4.356 4.480 -0.000 0.000 0.260 306 M C 2.058 178.418 176.300 0.099 0.000 1.069 306 M CA 1.825 57.169 55.300 0.074 0.000 1.117 306 M CB -0.855 31.778 32.600 0.056 0.000 1.334 306 M HN 0.408 nan 8.290 nan 0.000 0.407 307 L N 0.368 121.649 121.223 0.096 0.000 1.970 307 L HA -0.267 4.073 4.340 -0.000 0.000 0.212 307 L C 2.376 179.297 176.870 0.085 0.000 1.071 307 L CA 1.963 56.865 54.840 0.105 0.000 0.751 307 L CB -0.901 41.205 42.059 0.079 0.000 0.889 307 L HN 0.344 nan 8.230 nan 0.000 0.432 308 E N -0.141 120.100 120.200 0.068 0.000 2.058 308 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 308 E C 2.195 178.819 176.600 0.040 0.000 0.997 308 E CA 1.163 57.596 56.400 0.055 0.000 0.801 308 E CB -0.469 29.261 29.700 0.051 0.000 0.746 308 E HN 0.588 nan 8.360 nan 0.000 0.450 309 G N 1.329 110.152 108.800 0.038 0.000 2.480 309 G HA2 -0.367 3.592 3.960 -0.000 0.000 0.216 309 G HA3 -0.367 3.592 3.960 -0.000 0.000 0.216 309 G C 1.764 176.651 174.900 -0.021 0.000 1.200 309 G CA 1.627 46.732 45.100 0.008 0.000 0.782 309 G HN 0.405 nan 8.290 nan 0.000 0.554 310 S N 1.620 117.347 115.700 0.045 0.000 2.365 310 S HA -0.075 4.395 4.470 -0.000 0.000 0.225 310 S C 2.602 177.264 174.600 0.103 0.000 1.039 310 S CA 1.850 60.116 58.200 0.109 0.000 1.033 310 S CB -0.803 62.559 63.200 0.269 0.000 0.887 310 S HN 0.782 nan 8.310 nan 0.000 0.447 311 A N 1.530 124.401 122.820 0.085 0.000 2.076 311 A HA 0.300 4.620 4.320 -0.000 0.000 0.220 311 A C 2.331 179.925 177.584 0.017 0.000 1.160 311 A CA 1.690 53.767 52.037 0.067 0.000 0.653 311 A CB -1.055 17.982 19.000 0.061 0.000 0.801 311 A HN 0.894 nan 8.150 nan 0.000 0.455 312 A N -1.014 121.788 122.820 -0.030 0.000 2.014 312 A HA 0.079 4.399 4.320 -0.000 0.000 0.210 312 A C 1.673 179.169 177.584 -0.146 0.000 1.188 312 A CA 1.084 53.082 52.037 -0.065 0.000 0.731 312 A CB -0.038 18.930 19.000 -0.053 0.000 0.858 312 A HN 0.380 nan 8.150 nan 0.000 0.464 313 D N -1.121 119.109 120.400 -0.283 0.000 2.162 313 D HA 0.031 4.671 4.640 -0.000 0.000 0.205 313 D C -0.354 175.593 176.300 -0.590 0.000 0.964 313 D CA 0.863 54.507 54.000 -0.594 0.000 0.847 313 D CB -0.103 39.990 40.800 -1.179 0.000 0.988 313 D HN 0.449 nan 8.370 nan 0.000 0.480 314 Y N 0.340 120.522 120.300 -0.196 0.000 2.313 314 Y HA 0.399 4.949 4.550 -0.000 0.000 0.332 314 Y C 1.265 177.125 175.900 -0.066 0.000 1.071 314 Y CA -0.710 57.330 58.100 -0.100 0.000 1.169 314 Y CB 1.476 39.907 38.460 -0.049 0.000 1.192 314 Y HN -0.164 nan 8.280 nan 0.000 0.487 315 A N 2.703 125.579 122.820 0.093 0.000 1.972 315 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 315 A C 0.683 178.275 177.584 0.012 0.000 1.169 315 A CA 1.171 53.220 52.037 0.020 0.000 0.635 315 A CB -0.247 18.755 19.000 0.002 0.000 0.810 315 A HN 0.831 nan 8.150 nan 0.000 0.446 316 Q N -1.065 118.781 119.800 0.077 0.000 2.965 316 Q HA 0.383 4.723 4.340 -0.000 0.000 0.288 316 Q C 0.362 176.416 176.000 0.089 0.000 0.974 316 Q CA -0.164 55.680 55.803 0.068 0.000 0.849 316 Q CB 1.254 30.044 28.738 0.087 0.000 1.280 316 Q HN 0.125 nan 8.270 nan 0.000 0.441 317 V N 0.994 120.963 119.914 0.093 0.000 2.568 317 V HA -0.271 3.849 4.120 -0.000 0.000 0.253 317 V C 0.441 176.542 176.094 0.013 0.000 1.072 317 V CA 2.409 64.740 62.300 0.052 0.000 1.084 317 V CB 0.152 32.033 31.823 0.097 0.000 0.676 317 V HN 0.674 nan 8.190 nan 0.000 0.469 318 D N -0.654 119.791 120.400 0.074 0.000 2.363 318 D HA -0.064 4.576 4.640 -0.000 0.000 0.226 318 D C 1.416 177.795 176.300 0.132 0.000 1.020 318 D CA 0.701 54.758 54.000 0.095 0.000 0.892 318 D CB -0.081 40.826 40.800 0.178 0.000 0.900 318 D HN 0.451 nan 8.370 nan 0.000 0.531 319 D N 0.013 120.508 120.400 0.158 0.000 2.360 319 D HA -0.004 4.636 4.640 -0.000 0.000 0.210 319 D C 0.317 176.720 176.300 0.171 0.000 1.047 319 D CA 0.233 54.399 54.000 0.276 0.000 0.854 319 D CB 0.331 41.349 40.800 0.364 0.000 0.936 319 D HN 0.129 nan 8.370 nan 0.000 0.514 320 Q N 0.918 120.707 119.800 -0.018 0.000 2.313 320 Q HA 0.156 4.495 4.340 -0.000 0.000 0.266 320 Q C 0.016 175.936 176.000 -0.133 0.000 0.989 320 Q CA -0.117 55.611 55.803 -0.124 0.000 0.890 320 Q CB 1.685 30.239 28.738 -0.308 0.000 1.200 320 Q HN -0.098 nan 8.270 nan 0.000 0.396 321 V N 3.468 123.306 119.914 -0.127 0.000 2.372 321 V HA 0.143 4.263 4.120 -0.000 0.000 0.261 321 V C 0.798 176.855 176.094 -0.060 0.000 1.055 321 V CA -0.514 61.676 62.300 -0.183 0.000 0.930 321 V CB 0.124 31.677 31.823 -0.451 0.000 1.031 321 V HN 0.842 nan 8.190 nan 0.000 0.479 322 T N 2.964 117.393 114.554 -0.208 0.000 2.882 322 T HA 0.780 5.130 4.350 -0.000 0.000 0.287 322 T C -0.587 174.142 174.700 0.047 0.000 1.014 322 T CA -0.380 61.512 62.100 -0.346 0.000 1.049 322 T CB 1.316 69.543 68.868 -1.069 0.000 1.001 322 T HN 0.735 nan 8.240 nan 0.000 0.525 323 F N -0.425 119.466 119.950 -0.099 0.000 2.807 323 F HA 0.561 5.088 4.527 -0.000 0.000 0.316 323 F C -0.050 175.816 175.800 0.110 0.000 1.162 323 F CA -1.360 56.639 58.000 -0.001 0.000 0.910 323 F CB 0.737 39.715 39.000 -0.037 0.000 1.314 323 F HN 0.585 nan 8.300 nan 0.000 0.454 324 I N -1.534 119.146 120.570 0.183 0.000 4.323 324 I HA 0.466 4.636 4.170 -0.000 0.000 0.328 324 I C -0.933 175.358 176.117 0.290 0.000 1.310 324 I CA 0.149 61.522 61.300 0.121 0.000 1.186 324 I CB 0.835 38.772 38.000 -0.106 0.000 1.130 324 I HN 0.675 nan 8.210 nan 0.000 0.411 325 D N 0.985 121.605 120.400 0.367 0.000 2.710 325 D HA 0.381 5.021 4.640 -0.000 0.000 0.276 325 D C -1.246 175.133 176.300 0.132 0.000 1.267 325 D CA -0.592 53.590 54.000 0.302 0.000 0.772 325 D CB 0.874 41.850 40.800 0.293 0.000 1.299 325 D HN 0.322 nan 8.370 nan 0.000 0.421 326 N N -2.425 116.183 118.700 -0.154 0.000 3.179 326 N HA 0.155 4.895 4.740 -0.000 0.000 0.250 326 N C 0.688 175.693 175.510 -0.841 0.000 1.507 326 N CA -0.508 52.149 53.050 -0.655 0.000 0.883 326 N CB -0.021 38.201 38.487 -0.442 0.000 1.435 326 N HN 0.562 nan 8.380 nan 0.000 0.532 327 H N -1.731 116.684 119.070 -1.091 0.000 2.541 327 H HA 0.057 4.613 4.556 -0.000 0.000 0.289 327 H C -0.689 174.543 175.328 -0.160 0.000 1.054 327 H CA 1.130 56.804 56.048 -0.624 0.000 1.250 327 H CB -0.257 29.192 29.762 -0.523 0.000 1.369 327 H HN 0.535 nan 8.280 nan 0.000 0.578 328 D N 0.551 120.669 120.400 -0.469 0.000 2.398 328 D HA 0.151 4.791 4.640 -0.000 0.000 0.210 328 D C 1.036 177.368 176.300 0.053 0.000 1.094 328 D CA 0.149 54.054 54.000 -0.158 0.000 0.839 328 D CB 0.587 41.355 40.800 -0.054 0.000 0.963 328 D HN 0.569 nan 8.370 nan 0.000 0.506 329 M N -1.494 118.123 119.600 0.030 0.000 2.618 329 M HA 0.471 4.951 4.480 -0.000 0.000 0.281 329 M C -0.826 175.519 176.300 0.074 0.000 1.267 329 M CA -0.925 54.438 55.300 0.104 0.000 0.845 329 M CB 2.165 34.875 32.600 0.182 0.000 1.732 329 M HN -0.374 nan 8.290 nan 0.000 0.461 330 E N 2.067 122.315 120.200 0.080 0.000 2.452 330 E HA 0.090 4.440 4.350 -0.000 0.000 0.261 330 E C -0.608 176.050 176.600 0.097 0.000 0.987 330 E CA 0.084 56.525 56.400 0.068 0.000 0.926 330 E CB 0.478 30.201 29.700 0.039 0.000 0.934 330 E HN 0.417 nan 8.360 nan 0.000 0.452 331 R N 2.323 122.891 120.500 0.113 0.000 2.538 331 R HA -0.066 4.274 4.340 -0.000 0.000 0.282 331 R C 0.923 177.339 176.300 0.194 0.000 1.009 331 R CA -0.087 56.117 56.100 0.174 0.000 1.063 331 R CB 0.110 30.505 30.300 0.158 0.000 0.945 331 R HN 0.609 nan 8.270 nan 0.000 0.414 332 F N 2.080 122.103 119.950 0.122 0.000 2.147 332 F HA -0.236 4.291 4.527 -0.000 0.000 0.301 332 F C 1.241 177.128 175.800 0.146 0.000 1.084 332 F CA 1.735 59.809 58.000 0.124 0.000 1.268 332 F CB -0.240 38.838 39.000 0.130 0.000 1.009 332 F HN 0.561 nan 8.300 nan 0.000 0.486 333 H N 0.375 119.641 119.070 0.327 0.000 2.668 333 H HA 0.543 5.099 4.556 -0.000 0.000 0.303 333 H C -0.480 174.919 175.328 0.118 0.000 1.074 333 H CA -0.570 55.626 56.048 0.246 0.000 1.406 333 H CB 0.651 30.590 29.762 0.295 0.000 1.442 333 H HN 0.187 nan 8.280 nan 0.000 0.482 334 A N 3.367 125.832 122.820 -0.592 0.000 2.309 334 A HA 0.294 4.613 4.320 -0.000 0.000 0.298 334 A C 1.296 178.503 177.584 -0.629 0.000 1.165 334 A CA -0.089 51.678 52.037 -0.450 0.000 0.821 334 A CB 0.298 19.147 19.000 -0.251 0.000 1.102 334 A HN 0.966 nan 8.150 nan 0.000 0.500 335 S N 1.825 117.361 115.700 -0.274 0.000 2.462 335 S HA -0.219 4.251 4.470 -0.000 0.000 0.243 335 S C 1.041 175.598 174.600 -0.071 0.000 1.003 335 S CA 1.662 59.797 58.200 -0.110 0.000 0.970 335 S CB -0.447 62.737 63.200 -0.027 0.000 0.762 335 S HN 0.914 nan 8.310 nan 0.000 0.510 336 N N 1.594 120.230 118.700 -0.107 0.000 2.227 336 N HA 0.348 5.088 4.740 -0.000 0.000 0.196 336 N C 0.326 175.812 175.510 -0.039 0.000 1.142 336 N CA 0.352 53.373 53.050 -0.049 0.000 0.887 336 N CB -0.433 38.031 38.487 -0.039 0.000 1.022 336 N HN 0.441 nan 8.380 nan 0.000 0.500 337 A N 0.838 123.604 122.820 -0.090 0.000 2.327 337 A HA 0.229 4.549 4.320 -0.000 0.000 0.255 337 A C 0.325 177.965 177.584 0.093 0.000 1.099 337 A CA -0.427 51.597 52.037 -0.023 0.000 0.801 337 A CB -0.001 18.963 19.000 -0.060 0.000 1.062 337 A HN 0.314 nan 8.150 nan 0.000 0.496 338 N N -0.303 118.458 118.700 0.102 0.000 2.497 338 N HA 0.063 4.803 4.740 -0.000 0.000 0.271 338 N C 0.978 176.594 175.510 0.176 0.000 1.142 338 N CA -0.013 53.103 53.050 0.110 0.000 0.965 338 N CB 0.661 39.196 38.487 0.080 0.000 1.077 338 N HN 0.575 nan 8.380 nan 0.000 0.462 339 R N 2.119 122.670 120.500 0.084 0.000 2.148 339 R HA -0.104 4.236 4.340 -0.000 0.000 0.227 339 R C 1.576 177.956 176.300 0.135 0.000 1.103 339 R CA 0.799 56.907 56.100 0.015 0.000 0.983 339 R CB -0.019 30.026 30.300 -0.426 0.000 0.874 339 R HN 0.472 nan 8.270 nan 0.000 0.451 340 R N 1.996 122.562 120.500 0.111 0.000 2.200 340 R HA -0.113 4.226 4.340 -0.000 0.000 0.234 340 R C 1.391 177.796 176.300 0.175 0.000 1.127 340 R CA 1.532 57.707 56.100 0.125 0.000 0.989 340 R CB -0.043 30.314 30.300 0.095 0.000 0.869 340 R HN 0.170 nan 8.270 nan 0.000 0.459 341 K N -0.252 120.291 120.400 0.237 0.000 2.062 341 K HA -0.111 4.209 4.320 -0.000 0.000 0.205 341 K C 1.911 178.717 176.600 0.344 0.000 1.051 341 K CA 1.189 57.675 56.287 0.331 0.000 0.941 341 K CB -0.415 32.310 32.500 0.375 0.000 0.719 341 K HN 0.166 nan 8.250 nan 0.000 0.440 342 L N 2.406 123.844 121.223 0.358 0.000 2.093 342 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 342 L C 1.831 178.697 176.870 -0.006 0.000 1.085 342 L CA 1.733 56.680 54.840 0.178 0.000 0.755 342 L CB -0.287 41.974 42.059 0.338 0.000 0.904 342 L HN 0.112 nan 8.230 nan 0.000 0.435 343 E N -0.993 119.261 120.200 0.090 0.000 2.072 343 E HA -0.219 4.131 4.350 -0.000 0.000 0.191 343 E C 2.161 178.747 176.600 -0.023 0.000 0.985 343 E CA 1.234 57.658 56.400 0.040 0.000 0.801 343 E CB -0.180 29.577 29.700 0.095 0.000 0.750 343 E HN 0.614 nan 8.360 nan 0.000 0.452 344 Q N 0.382 120.179 119.800 -0.005 0.000 2.020 344 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 344 Q C 2.393 178.224 176.000 -0.281 0.000 0.982 344 Q CA 1.423 57.195 55.803 -0.050 0.000 0.838 344 Q CB -0.268 28.530 28.738 0.099 0.000 0.899 344 Q HN 0.279 nan 8.270 nan 0.000 0.423 345 A N 0.915 123.451 122.820 -0.473 0.000 1.940 345 A HA -0.187 4.133 4.320 -0.000 0.000 0.219 345 A C 2.070 179.461 177.584 -0.321 0.000 1.176 345 A CA 1.133 52.766 52.037 -0.672 0.000 0.631 345 A CB -0.713 17.807 19.000 -0.800 0.000 0.814 345 A HN 0.310 nan 8.150 nan 0.000 0.446 346 L N -1.075 119.999 121.223 -0.248 0.000 2.017 346 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 346 L C 3.154 179.976 176.870 -0.080 0.000 1.073 346 L CA 1.171 55.924 54.840 -0.146 0.000 0.745 346 L CB -0.560 41.425 42.059 -0.124 0.000 0.894 346 L HN 0.473 nan 8.230 nan 0.000 0.432 347 A N -0.264 122.520 122.820 -0.060 0.000 1.883 347 A HA -0.301 4.019 4.320 -0.000 0.000 0.217 347 A C 2.140 179.751 177.584 0.044 0.000 1.186 347 A CA 1.713 53.738 52.037 -0.019 0.000 0.624 347 A CB -0.945 18.048 19.000 -0.010 0.000 0.822 347 A HN 0.416 nan 8.150 nan 0.000 0.444 348 F N 1.515 121.409 119.950 -0.094 0.000 2.095 348 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 348 F C 2.477 178.318 175.800 0.068 0.000 1.104 348 F CA 2.353 60.350 58.000 -0.005 0.000 1.232 348 F CB -0.733 38.135 39.000 -0.221 0.000 0.987 348 F HN 0.221 nan 8.300 nan 0.000 0.475 349 T N 1.407 115.967 114.554 0.009 0.000 2.737 349 T HA -0.155 4.195 4.350 -0.000 0.000 0.265 349 T C 2.147 176.772 174.700 -0.125 0.000 1.038 349 T CA 1.731 63.824 62.100 -0.013 0.000 1.144 349 T CB -0.568 68.336 68.868 0.060 0.000 0.866 349 T HN 0.246 nan 8.240 nan 0.000 0.434 350 L N 1.368 122.536 121.223 -0.093 0.000 2.131 350 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 350 L C 2.648 179.452 176.870 -0.110 0.000 1.092 350 L CA 1.407 56.185 54.840 -0.104 0.000 0.759 350 L CB -0.926 41.079 42.059 -0.089 0.000 0.903 350 L HN 0.424 nan 8.230 nan 0.000 0.435 351 T N -5.292 109.211 114.554 -0.084 0.000 3.122 351 T HA 0.183 4.533 4.350 -0.000 0.000 0.250 351 T C 0.734 175.425 174.700 -0.016 0.000 1.067 351 T CA -0.281 61.795 62.100 -0.040 0.000 0.966 351 T CB 0.256 69.128 68.868 0.006 0.000 1.002 351 T HN 0.005 nan 8.240 nan 0.000 0.542 352 S N 1.951 117.557 115.700 -0.157 0.000 2.722 352 S HA 0.600 5.070 4.470 -0.000 0.000 0.292 352 S C 0.290 174.777 174.600 -0.189 0.000 1.135 352 S CA -1.074 56.995 58.200 -0.220 0.000 1.003 352 S CB 1.030 63.975 63.200 -0.425 0.000 1.067 352 S HN 0.605 nan 8.310 nan 0.000 0.546 353 R N 0.703 121.112 120.500 -0.153 0.000 2.694 353 R HA 0.555 4.895 4.340 -0.000 0.000 0.268 353 R C 0.560 176.734 176.300 -0.210 0.000 1.061 353 R CA 0.657 56.682 56.100 -0.125 0.000 1.133 353 R CB -1.043 29.229 30.300 -0.046 0.000 1.020 353 R HN 0.912 nan 8.270 nan 0.000 0.475 354 G N 0.273 108.976 108.800 -0.162 0.000 2.384 354 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.200 354 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.200 354 G C -1.497 173.292 174.900 -0.186 0.000 1.205 354 G CA -0.313 44.677 45.100 -0.184 0.000 1.116 354 G HN 0.743 nan 8.290 nan 0.000 0.547 355 V N 1.941 121.730 119.914 -0.209 0.000 2.445 355 V HA 0.506 4.626 4.120 -0.000 0.000 0.283 355 V C -2.339 173.649 176.094 -0.177 0.000 1.014 355 V CA -1.068 61.118 62.300 -0.190 0.000 0.852 355 V CB 1.821 33.529 31.823 -0.193 0.000 1.021 355 V HN 0.598 nan 8.190 nan 0.000 0.435 356 P HA 0.340 nan 4.420 nan 0.000 0.267 356 P C -0.520 176.770 177.300 -0.017 0.000 1.205 356 P CA 0.358 63.395 63.100 -0.105 0.000 0.765 356 P CB 0.846 32.485 31.700 -0.102 0.000 0.828 357 A N 4.261 127.110 122.820 0.048 0.000 2.356 357 A HA 0.700 5.020 4.320 -0.000 0.000 0.310 357 A C -0.718 176.946 177.584 0.133 0.000 1.075 357 A CA -0.683 51.433 52.037 0.132 0.000 0.746 357 A CB 0.687 19.809 19.000 0.204 0.000 1.221 357 A HN 0.442 nan 8.150 nan 0.000 0.443 358 I N 2.567 123.208 120.570 0.118 0.000 2.382 358 I HA 0.192 4.362 4.170 -0.000 0.000 0.286 358 I C -0.870 175.225 176.117 -0.036 0.000 1.002 358 I CA -0.712 60.637 61.300 0.081 0.000 1.135 358 I CB 1.364 39.444 38.000 0.133 0.000 1.288 358 I HN 0.711 nan 8.210 nan 0.000 0.448 359 Y N 8.705 128.905 120.300 -0.165 0.000 2.569 359 Y HA 0.047 4.597 4.550 -0.000 0.000 0.332 359 Y C 0.168 175.855 175.900 -0.355 0.000 1.120 359 Y CA -1.007 56.931 58.100 -0.271 0.000 1.416 359 Y CB -0.058 38.281 38.460 -0.201 0.000 1.210 359 Y HN 0.471 nan 8.280 nan 0.000 0.528 360 Y N 4.194 124.043 120.300 -0.753 0.000 2.987 360 Y HA 0.258 4.808 4.550 -0.000 0.000 0.339 360 Y C 1.120 176.803 175.900 -0.361 0.000 1.272 360 Y CA -0.024 57.699 58.100 -0.628 0.000 1.562 360 Y CB -0.001 38.151 38.460 -0.513 0.000 1.253 360 Y HN 0.945 nan 8.280 nan 0.000 0.604 361 G N 2.114 110.885 108.800 -0.049 0.000 2.195 361 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.246 361 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.246 361 G C 0.772 175.593 174.900 -0.132 0.000 0.984 361 G CA 0.419 45.441 45.100 -0.130 0.000 0.633 361 G HN 0.855 nan 8.290 nan 0.000 0.525 362 T N 1.606 116.088 114.554 -0.120 0.000 2.708 362 T HA -0.075 4.275 4.350 -0.000 0.000 0.266 362 T C 2.201 176.800 174.700 -0.168 0.000 1.037 362 T CA 1.844 63.889 62.100 -0.091 0.000 1.146 362 T CB -0.270 68.572 68.868 -0.044 0.000 0.865 362 T HN 0.746 nan 8.240 nan 0.000 0.435 363 E N 1.327 121.481 120.200 -0.076 0.000 2.331 363 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 363 E C 1.360 177.817 176.600 -0.238 0.000 1.008 363 E CA 1.043 57.367 56.400 -0.126 0.000 0.843 363 E CB -0.220 29.535 29.700 0.092 0.000 0.761 363 E HN 0.429 nan 8.360 nan 0.000 0.507 364 Q N -0.475 119.233 119.800 -0.153 0.000 2.282 364 Q HA 0.054 4.394 4.340 -0.000 0.000 0.206 364 Q C -0.410 175.555 176.000 -0.057 0.000 0.878 364 Q CA -0.259 55.492 55.803 -0.088 0.000 0.944 364 Q CB -0.073 28.672 28.738 0.013 0.000 1.100 364 Q HN 0.353 nan 8.270 nan 0.000 0.509 365 Y N -1.402 118.879 120.300 -0.032 0.000 3.790 365 Y HA -0.245 4.305 4.550 -0.000 0.000 0.226 365 Y C 0.198 176.104 175.900 0.010 0.000 1.257 365 Y CA 0.158 58.179 58.100 -0.131 0.000 1.765 365 Y CB -2.683 35.610 38.460 -0.279 0.000 1.552 365 Y HN 0.184 nan 8.280 nan 0.000 0.650 366 M N 1.109 120.770 119.600 0.102 0.000 2.268 366 M HA 0.188 4.668 4.480 -0.000 0.000 0.349 366 M C 0.487 176.891 176.300 0.172 0.000 1.485 366 M CA 0.703 56.057 55.300 0.089 0.000 1.094 366 M CB 0.418 32.985 32.600 -0.055 0.000 1.843 366 M HN 0.305 nan 8.290 nan 0.000 0.460 367 S N 1.975 117.787 115.700 0.186 0.000 2.608 367 S HA 0.960 5.430 4.470 -0.000 0.000 0.291 367 S C 0.046 174.692 174.600 0.077 0.000 1.146 367 S CA -0.840 57.450 58.200 0.150 0.000 1.043 367 S CB 2.038 65.304 63.200 0.111 0.000 1.037 367 S HN 0.945 nan 8.310 nan 0.000 0.520 368 G N -0.436 108.399 108.800 0.059 0.000 2.429 368 G HA2 0.521 4.481 3.960 -0.000 0.000 0.300 368 G HA3 0.521 4.481 3.960 -0.000 0.000 0.300 368 G C -0.305 174.624 174.900 0.047 0.000 1.598 368 G CA -0.356 44.773 45.100 0.049 0.000 0.863 368 G HN 0.893 nan 8.290 nan 0.000 0.614 369 G N -0.521 108.302 108.800 0.039 0.000 2.504 369 G HA2 0.675 4.635 3.960 -0.000 0.000 0.257 369 G HA3 0.675 4.635 3.960 -0.000 0.000 0.257 369 G C 0.948 175.877 174.900 0.048 0.000 1.451 369 G CA 0.694 45.816 45.100 0.036 0.000 1.059 369 G HN 1.512 nan 8.290 nan 0.000 0.550 370 T N -1.545 113.035 114.554 0.043 0.000 2.698 370 T HA 0.218 4.568 4.350 -0.000 0.000 0.295 370 T C 0.231 174.965 174.700 0.057 0.000 1.007 370 T CA -0.130 61.998 62.100 0.046 0.000 0.980 370 T CB 0.494 69.382 68.868 0.033 0.000 1.036 370 T HN 0.418 nan 8.240 nan 0.000 0.526 371 D N 1.888 122.324 120.400 0.060 0.000 2.648 371 D HA 0.051 4.691 4.640 -0.000 0.000 0.229 371 D C -1.526 174.827 176.300 0.089 0.000 1.119 371 D CA -1.288 52.768 54.000 0.093 0.000 0.850 371 D CB 0.569 41.415 40.800 0.076 0.000 1.169 371 D HN 0.365 nan 8.370 nan 0.000 0.489 372 P HA 0.210 nan 4.420 nan 0.000 0.276 372 P C 0.113 177.490 177.300 0.128 0.000 1.585 372 P CA -0.191 63.013 63.100 0.173 0.000 1.162 372 P CB 0.549 32.376 31.700 0.211 0.000 1.556 373 D N 1.165 121.619 120.400 0.091 0.000 2.312 373 D HA -0.074 4.566 4.640 -0.000 0.000 0.211 373 D C 0.809 177.154 176.300 0.075 0.000 0.964 373 D CA 0.857 54.899 54.000 0.070 0.000 0.877 373 D CB 0.099 40.929 40.800 0.050 0.000 0.924 373 D HN 0.300 nan 8.370 nan 0.000 0.515 374 N N 0.092 118.850 118.700 0.096 0.000 2.398 374 N HA -0.036 4.704 4.740 -0.000 0.000 0.188 374 N C 0.354 175.941 175.510 0.127 0.000 1.122 374 N CA 0.086 53.204 53.050 0.114 0.000 0.866 374 N CB -0.073 38.493 38.487 0.132 0.000 0.970 374 N HN -0.005 nan 8.380 nan 0.000 0.462 375 R N 0.174 120.759 120.500 0.142 0.000 2.997 375 R HA 0.492 4.832 4.340 -0.000 0.000 0.358 375 R C -0.237 176.198 176.300 0.224 0.000 1.191 375 R CA -0.324 55.905 56.100 0.216 0.000 1.113 375 R CB 0.732 31.227 30.300 0.325 0.000 1.433 375 R HN 0.148 nan 8.270 nan 0.000 0.584 376 A N 1.037 123.945 122.820 0.147 0.000 2.296 376 A HA 0.317 4.637 4.320 -0.000 0.000 0.264 376 A C 0.012 177.706 177.584 0.182 0.000 1.097 376 A CA -0.469 51.634 52.037 0.110 0.000 0.811 376 A CB 0.383 19.414 19.000 0.051 0.000 1.072 376 A HN 0.442 nan 8.150 nan 0.000 0.495 377 R N 0.500 121.061 120.500 0.101 0.000 2.490 377 R HA 0.288 4.628 4.340 -0.000 0.000 0.280 377 R C -0.315 176.035 176.300 0.082 0.000 1.077 377 R CA -0.385 55.774 56.100 0.098 0.000 1.065 377 R CB 0.313 30.625 30.300 0.021 0.000 1.003 377 R HN 0.713 nan 8.270 nan 0.000 0.470 378 I N 7.669 128.294 120.570 0.092 0.000 2.576 378 I HA 0.040 4.210 4.170 -0.000 0.000 0.288 378 I C -1.343 174.600 176.117 -0.289 0.000 1.126 378 I CA -1.786 59.484 61.300 -0.049 0.000 1.362 378 I CB 1.136 39.131 38.000 -0.009 0.000 1.419 378 I HN 0.691 nan 8.210 nan 0.000 0.533 379 P HA -0.081 nan 4.420 nan 0.000 0.221 379 P C -0.278 176.847 177.300 -0.291 0.000 1.145 379 P CA 0.872 63.857 63.100 -0.192 0.000 0.795 379 P CB 0.027 31.668 31.700 -0.098 0.000 0.775 380 S N -2.459 112.956 115.700 -0.475 0.000 2.586 380 S HA 0.429 4.899 4.470 -0.000 0.000 0.277 380 S C -1.150 173.012 174.600 -0.730 0.000 1.131 380 S CA -0.846 57.054 58.200 -0.501 0.000 0.848 380 S CB -0.151 62.924 63.200 -0.209 0.000 1.091 380 S HN -0.188 nan 8.310 nan 0.000 0.453 381 F N 1.851 121.633 119.950 -0.281 0.000 2.701 381 F HA 0.566 5.093 4.527 0.000 0.000 0.315 381 F C 0.952 176.673 175.800 -0.132 0.000 1.277 381 F CA -0.525 57.175 58.000 -0.500 0.000 1.180 381 F CB 0.856 39.480 39.000 -0.626 0.000 1.273 381 F HN 0.658 nan 8.300 nan 0.000 0.532 382 S N 0.181 115.930 115.700 0.081 0.000 2.480 382 S HA 0.319 4.789 4.470 -0.000 0.000 0.286 382 S C 1.085 175.600 174.600 -0.142 0.000 1.180 382 S CA -0.194 58.014 58.200 0.013 0.000 1.075 382 S CB 0.804 63.998 63.200 -0.011 0.000 0.996 382 S HN 0.528 nan 8.310 nan 0.000 0.487 383 T N 1.346 115.666 114.554 -0.391 0.000 3.105 383 T HA 0.173 4.523 4.350 -0.000 0.000 0.253 383 T C 1.074 175.512 174.700 -0.436 0.000 1.047 383 T CA 0.066 61.547 62.100 -1.031 0.000 0.944 383 T CB -0.087 68.264 68.868 -0.861 0.000 1.016 383 T HN 0.405 nan 8.240 nan 0.000 0.544 384 S N 1.987 117.576 115.700 -0.184 0.000 2.558 384 S HA 0.101 4.571 4.470 -0.000 0.000 0.217 384 S C 1.256 175.870 174.600 0.024 0.000 0.975 384 S CA 0.322 58.491 58.200 -0.052 0.000 0.912 384 S CB -0.204 62.981 63.200 -0.024 0.000 0.776 384 S HN 0.896 nan 8.310 nan 0.000 0.526 385 T N 0.012 114.598 114.554 0.053 0.000 2.898 385 T HA 0.153 4.503 4.350 -0.000 0.000 0.301 385 T C 1.302 176.109 174.700 0.179 0.000 1.049 385 T CA -0.112 62.086 62.100 0.162 0.000 1.095 385 T CB 0.871 69.849 68.868 0.182 0.000 0.976 385 T HN -0.004 nan 8.240 nan 0.000 0.539 386 T N 2.186 116.880 114.554 0.234 0.000 2.746 386 T HA -0.007 4.343 4.350 -0.000 0.000 0.267 386 T C 2.374 177.163 174.700 0.148 0.000 1.039 386 T CA 1.389 63.602 62.100 0.188 0.000 1.142 386 T CB -0.780 68.207 68.868 0.199 0.000 0.866 386 T HN 0.826 nan 8.240 nan 0.000 0.444 387 A N 0.460 123.349 122.820 0.115 0.000 1.902 387 A HA -0.105 4.215 4.320 -0.000 0.000 0.217 387 A C 2.076 179.648 177.584 -0.020 0.000 1.181 387 A CA 1.516 53.523 52.037 -0.049 0.000 0.623 387 A CB -1.063 17.710 19.000 -0.378 0.000 0.818 387 A HN 0.582 nan 8.150 nan 0.000 0.443 388 Y N 0.802 121.044 120.300 -0.096 0.000 2.207 388 Y HA -0.264 4.286 4.550 -0.000 0.000 0.287 388 Y C 2.562 178.421 175.900 -0.070 0.000 1.156 388 Y CA 2.310 60.362 58.100 -0.080 0.000 1.182 388 Y CB -0.254 38.178 38.460 -0.047 0.000 0.979 388 Y HN 0.455 nan 8.280 nan 0.000 0.521 389 Q N -1.037 118.875 119.800 0.187 0.000 2.079 389 Q HA -0.155 4.185 4.340 -0.000 0.000 0.200 389 Q C 2.365 178.365 176.000 0.000 0.000 0.974 389 Q CA 1.810 57.676 55.803 0.107 0.000 0.840 389 Q CB -0.452 28.347 28.738 0.102 0.000 0.898 389 Q HN 0.387 nan 8.270 nan 0.000 0.430 390 V N 1.823 121.731 119.914 -0.010 0.000 2.282 390 V HA -0.293 3.827 4.120 -0.000 0.000 0.249 390 V C 2.276 178.319 176.094 -0.084 0.000 1.057 390 V CA 1.773 64.049 62.300 -0.041 0.000 1.032 390 V CB -0.612 31.192 31.823 -0.032 0.000 0.645 390 V HN 0.355 nan 8.190 nan 0.000 0.447 391 I N -0.138 120.357 120.570 -0.124 0.000 2.208 391 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 391 I C 2.658 178.661 176.117 -0.190 0.000 1.097 391 I CA 2.098 63.296 61.300 -0.170 0.000 1.363 391 I CB -0.587 37.273 38.000 -0.234 0.000 1.051 391 I HN 0.453 nan 8.210 nan 0.000 0.413 392 Q N 1.510 121.184 119.800 -0.210 0.000 2.170 392 Q HA -0.203 4.137 4.340 -0.000 0.000 0.203 392 Q C 2.044 177.981 176.000 -0.106 0.000 0.976 392 Q CA 1.402 57.100 55.803 -0.175 0.000 0.858 392 Q CB 0.167 28.832 28.738 -0.122 0.000 0.907 392 Q HN 0.457 nan 8.270 nan 0.000 0.433 393 K N -0.096 120.254 120.400 -0.083 0.000 2.166 393 K HA 0.037 4.357 4.320 -0.000 0.000 0.201 393 K C 2.121 178.673 176.600 -0.080 0.000 1.052 393 K CA 0.569 56.816 56.287 -0.067 0.000 0.969 393 K CB 0.201 32.671 32.500 -0.050 0.000 0.761 393 K HN 0.286 nan 8.250 nan 0.000 0.459 394 L N 0.292 121.461 121.223 -0.091 0.000 2.249 394 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 394 L C 2.564 179.370 176.870 -0.106 0.000 1.090 394 L CA 0.468 55.251 54.840 -0.095 0.000 0.802 394 L CB -0.582 41.422 42.059 -0.092 0.000 0.947 394 L HN 0.018 nan 8.230 nan 0.000 0.453 395 A N 1.506 124.256 122.820 -0.116 0.000 1.869 395 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 395 A C -0.049 177.461 177.584 -0.124 0.000 1.203 395 A CA 2.092 54.055 52.037 -0.124 0.000 0.638 395 A CB -2.051 16.865 19.000 -0.140 0.000 0.831 395 A HN 0.269 nan 8.150 nan 0.000 0.450 396 P HA -0.150 nan 4.420 nan 0.000 0.220 396 P C 1.430 178.662 177.300 -0.113 0.000 1.144 396 P CA 0.829 63.862 63.100 -0.110 0.000 0.800 396 P CB -0.272 31.372 31.700 -0.094 0.000 0.772 397 L N -0.708 120.449 121.223 -0.110 0.000 2.079 397 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 397 L C 2.546 179.333 176.870 -0.139 0.000 1.081 397 L CA 1.595 56.370 54.840 -0.110 0.000 0.752 397 L CB -0.720 41.280 42.059 -0.099 0.000 0.896 397 L HN 0.013 nan 8.230 nan 0.000 0.433 398 R N -0.112 120.292 120.500 -0.160 0.000 2.241 398 R HA -0.127 4.213 4.340 -0.000 0.000 0.224 398 R C 1.973 178.131 176.300 -0.237 0.000 1.101 398 R CA 0.713 56.687 56.100 -0.211 0.000 0.995 398 R CB -0.059 30.113 30.300 -0.214 0.000 0.870 398 R HN 0.410 nan 8.270 nan 0.000 0.463 399 K N -0.133 120.154 120.400 -0.188 0.000 2.244 399 K HA 0.023 4.343 4.320 -0.000 0.000 0.200 399 K C 2.041 178.550 176.600 -0.151 0.000 1.052 399 K CA 0.955 57.136 56.287 -0.178 0.000 0.980 399 K CB 0.388 32.798 32.500 -0.150 0.000 0.838 399 K HN 0.308 nan 8.250 nan 0.000 0.481 400 C N 0.360 119.583 119.300 -0.129 0.000 2.791 400 C HA 0.315 4.775 4.460 -0.000 0.000 0.270 400 C C 0.600 175.528 174.990 -0.102 0.000 1.257 400 C CA -0.676 58.279 59.018 -0.104 0.000 1.699 400 C CB -0.943 26.746 27.740 -0.085 0.000 1.904 400 C HN 0.121 nan 8.230 nan 0.000 0.603 401 N N 1.529 120.155 118.700 -0.123 0.000 2.664 401 N HA 0.323 5.063 4.740 -0.000 0.000 0.257 401 N C -2.171 173.250 175.510 -0.147 0.000 1.108 401 N CA -1.598 51.390 53.050 -0.104 0.000 0.822 401 N CB 1.601 40.041 38.487 -0.078 0.000 1.199 401 N HN 0.026 nan 8.380 nan 0.000 0.529 402 P HA -0.096 nan 4.420 nan 0.000 0.220 402 P C 0.988 178.183 177.300 -0.174 0.000 1.144 402 P CA 0.776 63.734 63.100 -0.236 0.000 0.800 402 P CB 0.332 31.999 31.700 -0.054 0.000 0.772 403 A N -0.053 122.769 122.820 0.005 0.000 1.933 403 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 403 A C 2.201 179.778 177.584 -0.011 0.000 1.175 403 A CA 1.340 53.425 52.037 0.081 0.000 0.628 403 A CB -1.282 17.775 19.000 0.094 0.000 0.814 403 A HN 0.096 nan 8.150 nan 0.000 0.444 404 I N -0.558 119.957 120.570 -0.092 0.000 2.286 404 I HA -0.183 3.987 4.170 -0.000 0.000 0.245 404 I C 2.932 178.924 176.117 -0.208 0.000 1.104 404 I CA 1.262 62.490 61.300 -0.120 0.000 1.397 404 I CB -1.232 36.688 38.000 -0.134 0.000 1.072 404 I HN 0.372 nan 8.210 nan 0.000 0.417 405 A N 1.031 123.628 122.820 -0.373 0.000 1.832 405 A HA -0.183 4.137 4.320 -0.000 0.000 0.214 405 A C 1.768 179.036 177.584 -0.527 0.000 1.200 405 A CA 1.595 53.267 52.037 -0.609 0.000 0.610 405 A CB -0.929 17.429 19.000 -1.069 0.000 0.842 405 A HN 0.456 nan 8.150 nan 0.000 0.444 406 Y N 0.027 120.158 120.300 -0.282 0.000 2.467 406 Y HA 0.400 4.950 4.550 -0.000 0.000 0.250 406 Y C 1.543 177.406 175.900 -0.061 0.000 1.155 406 Y CA -0.903 57.041 58.100 -0.261 0.000 1.249 406 Y CB -0.851 37.230 38.460 -0.633 0.000 1.146 406 Y HN 0.270 nan 8.280 nan 0.000 0.524 407 G N 0.854 109.715 108.800 0.102 0.000 2.594 407 G HA2 0.327 4.287 3.960 -0.000 0.000 0.243 407 G HA3 0.327 4.287 3.960 -0.000 0.000 0.243 407 G C 0.299 175.304 174.900 0.176 0.000 1.229 407 G CA -0.148 45.084 45.100 0.221 0.000 0.843 407 G HN 0.289 nan 8.290 nan 0.000 0.578 408 S N -0.512 115.299 115.700 0.185 0.000 2.655 408 S HA 0.681 5.151 4.470 -0.000 0.000 0.265 408 S C 0.078 174.759 174.600 0.134 0.000 1.240 408 S CA -0.492 57.793 58.200 0.142 0.000 0.986 408 S CB 1.580 64.857 63.200 0.129 0.000 0.985 408 S HN 0.588 nan 8.310 nan 0.000 0.562 409 T N 1.248 115.874 114.554 0.121 0.000 2.863 409 T HA 0.604 4.954 4.350 -0.000 0.000 0.285 409 T C -1.060 173.724 174.700 0.140 0.000 1.009 409 T CA -0.567 61.618 62.100 0.140 0.000 0.989 409 T CB 1.427 70.353 68.868 0.096 0.000 1.004 409 T HN 0.681 nan 8.240 nan 0.000 0.455 410 Q N 1.751 121.661 119.800 0.184 0.000 2.281 410 Q HA 0.202 4.542 4.340 -0.000 0.000 0.263 410 Q C -1.317 174.807 176.000 0.207 0.000 0.989 410 Q CA -0.592 55.309 55.803 0.163 0.000 0.852 410 Q CB 1.780 30.598 28.738 0.133 0.000 1.337 410 Q HN 0.646 nan 8.270 nan 0.000 0.418 411 E N 3.760 124.066 120.200 0.176 0.000 2.324 411 E HA 0.064 4.414 4.350 -0.000 0.000 0.271 411 E C -0.253 176.455 176.600 0.181 0.000 1.028 411 E CA 0.364 56.880 56.400 0.193 0.000 0.890 411 E CB 0.667 30.447 29.700 0.135 0.000 1.004 411 E HN 0.680 nan 8.360 nan 0.000 0.431 412 R N 3.292 123.929 120.500 0.229 0.000 2.394 412 R HA 0.128 4.468 4.340 -0.000 0.000 0.220 412 R C -0.259 176.230 176.300 0.315 0.000 0.887 412 R CA -0.045 56.193 56.100 0.230 0.000 1.034 412 R CB 0.873 31.305 30.300 0.220 0.000 1.179 412 R HN 0.524 nan 8.270 nan 0.000 0.561 413 W N 0.618 121.971 121.300 0.088 0.000 3.800 413 W HA 0.524 5.184 4.660 -0.000 0.000 0.299 413 W C -1.690 174.845 176.519 0.028 0.000 1.231 413 W CA -0.516 56.864 57.345 0.058 0.000 1.232 413 W CB 1.249 30.747 29.460 0.064 0.000 1.291 413 W HN -0.196 nan 8.180 nan 0.000 0.514 414 I N 5.741 126.255 120.570 -0.093 0.000 3.004 414 I HA 0.537 4.707 4.170 -0.000 0.000 0.305 414 I C -1.610 174.311 176.117 -0.327 0.000 1.312 414 I CA -0.614 60.605 61.300 -0.135 0.000 0.992 414 I CB 2.023 39.881 38.000 -0.237 0.000 1.282 414 I HN 0.589 nan 8.210 nan 0.000 0.449 415 N N 3.475 121.965 118.700 -0.351 0.000 3.355 415 N HA 0.199 4.939 4.740 -0.000 0.000 0.238 415 N C -0.506 174.840 175.510 -0.273 0.000 1.466 415 N CA -0.550 52.354 53.050 -0.243 0.000 0.882 415 N CB 0.340 38.813 38.487 -0.022 0.000 1.406 415 N HN 0.547 nan 8.380 nan 0.000 0.500 416 N N 0.018 118.722 118.700 0.008 0.000 2.073 416 N HA -0.176 4.564 4.740 -0.000 0.000 0.199 416 N C 0.034 175.504 175.510 -0.067 0.000 1.023 416 N CA 2.327 55.396 53.050 0.031 0.000 0.880 416 N CB -0.246 38.288 38.487 0.078 0.000 1.052 416 N HN 0.617 nan 8.380 nan 0.000 0.449 417 D N -1.116 119.258 120.400 -0.043 0.000 2.449 417 D HA 0.122 4.762 4.640 -0.000 0.000 0.210 417 D C -0.059 176.215 176.300 -0.042 0.000 1.094 417 D CA 0.060 54.024 54.000 -0.060 0.000 0.846 417 D CB 1.117 41.905 40.800 -0.020 0.000 1.003 417 D HN -0.029 nan 8.370 nan 0.000 0.504 418 V N 1.632 121.552 119.914 0.011 0.000 2.667 418 V HA 0.491 4.611 4.120 -0.000 0.000 0.308 418 V C -0.675 175.475 176.094 0.093 0.000 1.048 418 V CA -0.883 61.471 62.300 0.091 0.000 0.928 418 V CB 2.594 34.546 31.823 0.215 0.000 1.004 418 V HN -0.035 nan 8.190 nan 0.000 0.444 419 L N 5.635 126.948 121.223 0.149 0.000 2.528 419 L HA 0.639 4.979 4.340 -0.000 0.000 0.267 419 L C -1.198 175.868 176.870 0.326 0.000 0.961 419 L CA 0.117 55.082 54.840 0.208 0.000 0.866 419 L CB 1.522 43.668 42.059 0.144 0.000 1.248 419 L HN 0.555 nan 8.230 nan 0.000 0.404 420 I N 6.091 126.875 120.570 0.357 0.000 2.418 420 I HA 0.416 4.586 4.170 -0.000 0.000 0.287 420 I C -1.120 175.217 176.117 0.366 0.000 1.008 420 I CA -0.758 60.733 61.300 0.318 0.000 1.104 420 I CB 1.376 39.563 38.000 0.311 0.000 1.264 420 I HN 0.644 nan 8.210 nan 0.000 0.438 421 Y N 2.871 123.292 120.300 0.201 0.000 2.570 421 Y HA 0.730 5.279 4.550 -0.000 0.000 0.345 421 Y C -0.770 175.216 175.900 0.143 0.000 1.014 421 Y CA -1.526 56.676 58.100 0.170 0.000 1.063 421 Y CB 1.234 39.797 38.460 0.172 0.000 1.272 421 Y HN 0.498 nan 8.280 nan 0.000 0.477 422 E N 2.269 122.621 120.200 0.255 0.000 2.185 422 E HA 0.421 4.771 4.350 -0.000 0.000 0.261 422 E C -1.114 175.597 176.600 0.185 0.000 0.879 422 E CA -1.052 55.439 56.400 0.153 0.000 0.756 422 E CB 0.817 30.594 29.700 0.129 0.000 1.152 422 E HN 0.552 nan 8.360 nan 0.000 0.416 423 R N 3.455 124.044 120.500 0.148 0.000 2.297 423 R HA 0.416 4.756 4.340 -0.000 0.000 0.308 423 R C -0.495 175.883 176.300 0.130 0.000 1.029 423 R CA -0.416 55.772 56.100 0.147 0.000 0.929 423 R CB 1.170 31.541 30.300 0.117 0.000 1.046 423 R HN 0.469 nan 8.270 nan 0.000 0.461 424 K N 2.656 123.148 120.400 0.153 0.000 2.553 424 K HA 0.369 4.689 4.320 -0.000 0.000 0.250 424 K C -1.903 174.837 176.600 0.234 0.000 0.953 424 K CA -0.560 55.823 56.287 0.161 0.000 0.800 424 K CB 1.288 33.858 32.500 0.118 0.000 1.243 424 K HN 0.441 nan 8.250 nan 0.000 0.435 425 F N 4.459 124.448 119.950 0.066 0.000 2.831 425 F HA 0.427 4.954 4.527 -0.000 0.000 0.346 425 F C 0.262 176.093 175.800 0.052 0.000 1.224 425 F CA 0.792 58.834 58.000 0.071 0.000 1.048 425 F CB 1.291 40.354 39.000 0.106 0.000 1.339 425 F HN 0.875 nan 8.300 nan 0.000 0.514 426 G N 3.623 112.172 108.800 -0.418 0.000 2.556 426 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.283 426 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.283 426 G C 0.500 175.366 174.900 -0.057 0.000 1.177 426 G CA 0.181 45.099 45.100 -0.303 0.000 0.978 426 G HN 1.395 nan 8.290 nan 0.000 0.554 427 S N 1.637 117.335 115.700 -0.004 0.000 2.685 427 S HA 0.344 4.814 4.470 -0.000 0.000 0.240 427 S C 0.319 174.966 174.600 0.079 0.000 0.967 427 S CA 0.148 58.392 58.200 0.073 0.000 1.009 427 S CB -0.242 62.995 63.200 0.061 0.000 0.776 427 S HN 0.645 nan 8.310 nan 0.000 0.467 428 N N 1.067 119.824 118.700 0.095 0.000 2.284 428 N HA 0.594 5.334 4.740 -0.000 0.000 0.300 428 N C -1.375 174.223 175.510 0.146 0.000 1.047 428 N CA -0.417 52.684 53.050 0.085 0.000 0.821 428 N CB 2.421 40.962 38.487 0.089 0.000 1.337 428 N HN 0.005 nan 8.380 nan 0.000 0.482 429 V N 0.193 120.201 119.914 0.157 0.000 2.971 429 V HA 0.829 4.949 4.120 -0.000 0.000 0.309 429 V C -0.884 175.272 176.094 0.103 0.000 1.130 429 V CA -0.862 61.525 62.300 0.145 0.000 0.964 429 V CB 1.939 33.860 31.823 0.164 0.000 1.029 429 V HN 0.858 nan 8.190 nan 0.000 0.427 430 A N 2.977 125.837 122.820 0.068 0.000 2.408 430 A HA 0.874 5.193 4.320 -0.000 0.000 0.295 430 A C -1.413 176.172 177.584 0.002 0.000 1.040 430 A CA -0.506 51.548 52.037 0.029 0.000 0.707 430 A CB 1.881 20.882 19.000 0.001 0.000 1.235 430 A HN 0.779 nan 8.150 nan 0.000 0.418 431 V N 2.742 122.659 119.914 0.004 0.000 2.487 431 V HA 0.592 4.712 4.120 -0.000 0.000 0.298 431 V C -0.344 175.664 176.094 -0.144 0.000 1.028 431 V CA -0.563 61.739 62.300 0.002 0.000 0.860 431 V CB 1.483 33.405 31.823 0.165 0.000 0.991 431 V HN 0.699 nan 8.190 nan 0.000 0.427 432 V N 3.323 122.987 119.914 -0.417 0.000 2.628 432 V HA 0.906 5.026 4.120 -0.000 0.000 0.306 432 V C 0.159 176.023 176.094 -0.384 0.000 1.045 432 V CA -0.532 61.430 62.300 -0.564 0.000 0.905 432 V CB 1.943 33.312 31.823 -0.758 0.000 0.997 432 V HN 1.013 nan 8.190 nan 0.000 0.436 433 A N 3.907 126.560 122.820 -0.278 0.000 2.356 433 A HA 0.923 5.243 4.320 -0.000 0.000 0.310 433 A C -1.119 176.484 177.584 0.031 0.000 1.075 433 A CA -0.545 51.476 52.037 -0.025 0.000 0.746 433 A CB 1.734 20.794 19.000 0.101 0.000 1.221 433 A HN 0.779 nan 8.150 nan 0.000 0.443 434 V N 2.015 122.016 119.914 0.146 0.000 2.686 434 V HA 0.500 4.620 4.120 -0.000 0.000 0.306 434 V C -0.679 175.497 176.094 0.137 0.000 1.065 434 V CA -0.802 61.600 62.300 0.170 0.000 0.894 434 V CB 2.059 34.057 31.823 0.291 0.000 1.004 434 V HN 0.884 nan 8.190 nan 0.000 0.424 435 N N 2.776 121.544 118.700 0.113 0.000 2.696 435 N HA 0.294 5.034 4.740 -0.000 0.000 0.246 435 N C 1.087 176.638 175.510 0.069 0.000 1.057 435 N CA -0.821 52.273 53.050 0.075 0.000 0.867 435 N CB 1.156 39.680 38.487 0.062 0.000 1.141 435 N HN 0.656 nan 8.380 nan 0.000 0.517 436 R N 1.658 122.174 120.500 0.027 0.000 2.117 436 R HA -0.084 4.256 4.340 -0.000 0.000 0.243 436 R C 0.566 176.881 176.300 0.025 0.000 1.143 436 R CA 0.940 57.049 56.100 0.015 0.000 0.968 436 R CB -0.705 29.498 30.300 -0.161 0.000 0.863 436 R HN 0.278 nan 8.270 nan 0.000 0.444 437 N N 1.727 120.431 118.700 0.008 0.000 2.394 437 N HA -0.072 4.668 4.740 -0.000 0.000 0.282 437 N C 0.273 175.802 175.510 0.032 0.000 1.351 437 N CA 0.273 53.332 53.050 0.016 0.000 0.936 437 N CB 0.381 38.876 38.487 0.014 0.000 1.274 437 N HN 0.365 nan 8.380 nan 0.000 0.489 438 L N 2.341 123.585 121.223 0.035 0.000 2.551 438 L HA -0.015 4.325 4.340 -0.000 0.000 0.228 438 L C 0.770 177.659 176.870 0.032 0.000 1.153 438 L CA 0.693 55.558 54.840 0.041 0.000 0.851 438 L CB -0.135 41.951 42.059 0.045 0.000 0.959 438 L HN 0.490 nan 8.230 nan 0.000 0.451 439 N N -0.904 117.812 118.700 0.026 0.000 2.143 439 N HA 0.302 5.042 4.740 -0.000 0.000 0.222 439 N C -0.107 175.416 175.510 0.021 0.000 1.264 439 N CA -0.041 53.022 53.050 0.022 0.000 0.897 439 N CB 1.290 39.788 38.487 0.017 0.000 1.092 439 N HN 0.157 nan 8.380 nan 0.000 0.516 440 A N 1.199 124.033 122.820 0.023 0.000 2.398 440 A HA 0.661 4.981 4.320 -0.000 0.000 0.301 440 A C -2.820 174.778 177.584 0.025 0.000 1.041 440 A CA -1.356 50.695 52.037 0.022 0.000 0.711 440 A CB 1.527 20.540 19.000 0.022 0.000 1.240 440 A HN -0.168 nan 8.150 nan 0.000 0.420 441 P HA 0.616 nan 4.420 nan 0.000 0.281 441 P C -0.659 176.645 177.300 0.007 0.000 1.264 441 P CA -0.318 62.792 63.100 0.017 0.000 0.824 441 P CB 1.623 33.334 31.700 0.017 0.000 1.092 442 A N 0.719 123.528 122.820 -0.018 0.000 2.371 442 A HA 0.574 4.893 4.320 -0.000 0.000 0.311 442 A C -0.162 177.335 177.584 -0.145 0.000 1.068 442 A CA -0.537 51.473 52.037 -0.045 0.000 0.744 442 A CB 0.873 19.857 19.000 -0.026 0.000 1.239 442 A HN 0.462 nan 8.150 nan 0.000 0.435 443 S N 2.292 117.920 115.700 -0.119 0.000 2.430 443 S HA 0.554 5.024 4.470 -0.000 0.000 0.289 443 S C -0.565 173.822 174.600 -0.356 0.000 1.143 443 S CA -0.227 57.857 58.200 -0.193 0.000 1.067 443 S CB -0.393 62.763 63.200 -0.074 0.000 0.964 443 S HN 0.435 nan 8.310 nan 0.000 0.485 444 I N 4.943 125.074 120.570 -0.731 0.000 2.306 444 I HA 0.332 4.502 4.170 -0.000 0.000 0.288 444 I C 0.072 175.795 176.117 -0.657 0.000 1.036 444 I CA 0.220 60.848 61.300 -1.119 0.000 1.221 444 I CB 1.449 38.376 38.000 -1.788 0.000 1.385 444 I HN 0.808 nan 8.210 nan 0.000 0.472 445 S N 3.246 118.840 115.700 -0.177 0.000 2.542 445 S HA 0.831 5.301 4.470 -0.000 0.000 0.293 445 S C 0.519 175.287 174.600 0.279 0.000 1.089 445 S CA -0.205 58.014 58.200 0.031 0.000 0.961 445 S CB 1.923 65.159 63.200 0.060 0.000 1.062 445 S HN 1.109 nan 8.310 nan 0.000 0.483 446 G N 0.063 108.976 108.800 0.189 0.000 2.157 446 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.239 446 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.239 446 G C -0.206 174.857 174.900 0.271 0.000 0.982 446 G CA 0.005 45.240 45.100 0.225 0.000 0.650 446 G HN 1.123 nan 8.290 nan 0.000 0.527 447 L N 1.553 122.915 121.223 0.231 0.000 2.462 447 L HA 0.596 4.936 4.340 -0.000 0.000 0.272 447 L C 0.190 177.142 176.870 0.137 0.000 1.166 447 L CA -0.132 54.839 54.840 0.219 0.000 0.880 447 L CB 1.214 43.338 42.059 0.108 0.000 1.142 447 L HN 0.140 nan 8.230 nan 0.000 0.473 448 V N 4.931 124.929 119.914 0.139 0.000 2.487 448 V HA 0.688 4.808 4.120 -0.000 0.000 0.298 448 V C 0.232 176.364 176.094 0.064 0.000 1.028 448 V CA -0.020 62.328 62.300 0.079 0.000 0.860 448 V CB 1.687 33.555 31.823 0.076 0.000 0.991 448 V HN 0.982 nan 8.190 nan 0.000 0.427 449 T N 0.610 115.174 114.554 0.017 0.000 2.773 449 T HA 0.425 4.775 4.350 -0.000 0.000 0.278 449 T C 0.406 175.097 174.700 -0.016 0.000 1.011 449 T CA -0.424 61.675 62.100 0.000 0.000 1.014 449 T CB 2.034 70.870 68.868 -0.054 0.000 1.293 449 T HN 0.301 nan 8.240 nan 0.000 0.554 450 S N -0.052 115.637 115.700 -0.019 0.000 2.568 450 S HA 0.362 4.832 4.470 -0.000 0.000 0.232 450 S C 0.409 174.971 174.600 -0.064 0.000 0.975 450 S CA -0.522 57.667 58.200 -0.018 0.000 0.949 450 S CB -0.587 62.625 63.200 0.020 0.000 0.829 450 S HN 0.466 nan 8.310 nan 0.000 0.479 451 L N 3.435 124.582 121.223 -0.128 0.000 2.416 451 L HA 0.266 4.606 4.340 -0.000 0.000 0.272 451 L C -2.188 174.572 176.870 -0.184 0.000 1.161 451 L CA -1.895 52.802 54.840 -0.238 0.000 0.845 451 L CB 0.198 41.955 42.059 -0.504 0.000 1.119 451 L HN -0.019 nan 8.230 nan 0.000 0.464 452 P HA -0.028 nan 4.420 nan 0.000 0.270 452 P C -0.848 176.454 177.300 0.003 0.000 1.223 452 P CA -0.431 62.556 63.100 -0.190 0.000 0.785 452 P CB 0.412 31.846 31.700 -0.443 0.000 0.923 453 Q N 0.715 120.497 119.800 -0.030 0.000 2.286 453 Q HA 0.369 4.709 4.340 -0.000 0.000 0.290 453 Q C 0.225 176.225 176.000 0.001 0.000 1.049 453 Q CA 0.854 56.656 55.803 -0.002 0.000 0.923 453 Q CB -0.375 28.347 28.738 -0.027 0.000 1.183 453 Q HN 0.774 nan 8.270 nan 0.000 0.383 454 G N 1.950 110.760 108.800 0.016 0.000 2.369 454 G HA2 0.022 3.982 3.960 -0.000 0.000 0.295 454 G HA3 0.022 3.982 3.960 -0.000 0.000 0.295 454 G C -1.445 173.398 174.900 -0.095 0.000 1.298 454 G CA -0.541 44.504 45.100 -0.092 0.000 0.940 454 G HN 0.572 nan 8.290 nan 0.000 0.536 455 S N -0.510 115.048 115.700 -0.237 0.000 2.541 455 S HA 0.759 5.229 4.470 -0.000 0.000 0.283 455 S C -1.321 173.054 174.600 -0.374 0.000 1.196 455 S CA -0.213 57.876 58.200 -0.184 0.000 1.062 455 S CB 1.011 64.132 63.200 -0.131 0.000 1.009 455 S HN 0.474 nan 8.310 nan 0.000 0.502 456 Y N 1.455 121.672 120.300 -0.138 0.000 2.361 456 Y HA 0.408 4.958 4.550 -0.000 0.000 0.337 456 Y C 0.121 176.045 175.900 0.041 0.000 0.965 456 Y CA -1.106 56.962 58.100 -0.052 0.000 1.091 456 Y CB 1.145 39.561 38.460 -0.074 0.000 1.182 456 Y HN 0.492 nan 8.280 nan 0.000 0.450 457 N N 1.977 120.812 118.700 0.225 0.000 2.479 457 N HA 0.061 4.801 4.740 -0.000 0.000 0.285 457 N C -0.856 174.829 175.510 0.291 0.000 1.075 457 N CA -0.562 52.612 53.050 0.207 0.000 0.967 457 N CB 0.869 39.412 38.487 0.094 0.000 1.137 457 N HN 0.635 nan 8.380 nan 0.000 0.472 458 D N 1.686 122.233 120.400 0.245 0.000 2.451 458 D HA -0.058 4.582 4.640 -0.000 0.000 0.254 458 D C 1.055 177.351 176.300 -0.008 0.000 1.204 458 D CA 0.064 54.095 54.000 0.052 0.000 0.896 458 D CB 0.638 41.442 40.800 0.006 0.000 1.136 458 D HN 0.177 nan 8.370 nan 0.000 0.499 459 V N 4.632 124.510 119.914 -0.061 0.000 2.546 459 V HA -0.233 3.887 4.120 -0.000 0.000 0.254 459 V C 2.298 178.358 176.094 -0.057 0.000 1.076 459 V CA 1.290 63.563 62.300 -0.046 0.000 1.087 459 V CB -0.443 31.340 31.823 -0.067 0.000 0.674 459 V HN 0.632 nan 8.190 nan 0.000 0.470 460 L N 0.276 121.447 121.223 -0.086 0.000 2.599 460 L HA 0.214 4.554 4.340 -0.000 0.000 0.230 460 L C 1.701 178.552 176.870 -0.032 0.000 1.141 460 L CA 0.775 55.576 54.840 -0.065 0.000 0.877 460 L CB -0.547 41.461 42.059 -0.085 0.000 1.009 460 L HN 0.537 nan 8.230 nan 0.000 0.447 461 G N 0.110 108.898 108.800 -0.019 0.000 2.305 461 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.287 461 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.287 461 G C 1.001 175.905 174.900 0.006 0.000 1.036 461 G CA 0.384 45.485 45.100 0.002 0.000 0.887 461 G HN 0.681 nan 8.290 nan 0.000 0.505 462 G N -1.820 106.981 108.800 0.001 0.000 2.166 462 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.260 462 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.260 462 G C 1.213 176.119 174.900 0.010 0.000 0.986 462 G CA 0.913 46.020 45.100 0.011 0.000 0.683 462 G HN 1.526 nan 8.290 nan 0.000 0.527 463 L N -0.189 121.036 121.223 0.003 0.000 2.079 463 L HA 0.137 4.477 4.340 -0.000 0.000 0.210 463 L C 2.086 178.966 176.870 0.017 0.000 1.081 463 L CA 2.098 56.945 54.840 0.012 0.000 0.752 463 L CB -0.236 41.829 42.059 0.011 0.000 0.896 463 L HN 0.452 nan 8.230 nan 0.000 0.433 464 L N -0.323 120.904 121.223 0.006 0.000 3.034 464 L HA 0.254 4.594 4.340 -0.000 0.000 0.245 464 L C 0.218 177.099 176.870 0.018 0.000 1.295 464 L CA -0.119 54.730 54.840 0.015 0.000 1.068 464 L CB -0.705 41.359 42.059 0.009 0.000 1.426 464 L HN 0.321 nan 8.230 nan 0.000 0.531 465 N N -0.625 118.089 118.700 0.023 0.000 2.741 465 N HA -0.171 4.569 4.740 -0.000 0.000 0.250 465 N C 0.802 176.337 175.510 0.041 0.000 1.115 465 N CA 0.567 53.639 53.050 0.035 0.000 0.724 465 N CB -0.953 37.560 38.487 0.043 0.000 1.090 465 N HN 0.631 nan 8.380 nan 0.000 0.558 466 G N 0.161 108.971 108.800 0.016 0.000 2.611 466 G HA2 0.429 4.389 3.960 -0.000 0.000 0.273 466 G HA3 0.429 4.389 3.960 -0.000 0.000 0.273 466 G C 0.248 175.194 174.900 0.076 0.000 1.305 466 G CA 0.199 45.304 45.100 0.009 0.000 1.010 466 G HN 0.442 nan 8.290 nan 0.000 0.509 467 N N -2.281 116.512 118.700 0.156 0.000 3.204 467 N HA 0.276 5.016 4.740 -0.000 0.000 0.285 467 N C -1.155 174.517 175.510 0.269 0.000 1.536 467 N CA -0.606 52.544 53.050 0.167 0.000 0.832 467 N CB 1.009 39.572 38.487 0.127 0.000 1.645 467 N HN 0.334 nan 8.380 nan 0.000 0.586 468 T N 0.853 115.468 114.554 0.100 0.000 2.889 468 T HA 0.429 4.779 4.350 -0.000 0.000 0.291 468 T C -0.301 174.241 174.700 -0.264 0.000 0.995 468 T CA -0.300 61.812 62.100 0.019 0.000 1.092 468 T CB 0.381 69.244 68.868 -0.009 0.000 0.954 468 T HN 0.380 nan 8.240 nan 0.000 0.506 469 L N 2.578 123.504 121.223 -0.496 0.000 2.341 469 L HA 0.584 4.924 4.340 -0.000 0.000 0.278 469 L C -0.375 176.257 176.870 -0.396 0.000 1.005 469 L CA -0.055 54.289 54.840 -0.826 0.000 0.818 469 L CB 1.984 42.986 42.059 -1.763 0.000 1.259 469 L HN 0.500 nan 8.230 nan 0.000 0.418 470 S N 3.723 119.237 115.700 -0.311 0.000 2.461 470 S HA 0.546 5.016 4.470 -0.000 0.000 0.322 470 S C -0.742 173.787 174.600 -0.118 0.000 1.063 470 S CA -0.470 57.643 58.200 -0.145 0.000 1.120 470 S CB 1.036 64.178 63.200 -0.097 0.000 0.968 470 S HN 0.385 nan 8.310 nan 0.000 0.467 471 V N 4.232 124.113 119.914 -0.055 0.000 2.328 471 V HA 0.519 4.639 4.120 -0.000 0.000 0.278 471 V C 1.098 177.182 176.094 -0.017 0.000 1.021 471 V CA -0.438 61.834 62.300 -0.047 0.000 0.838 471 V CB 1.023 32.815 31.823 -0.052 0.000 0.999 471 V HN 0.888 nan 8.190 nan 0.000 0.447 472 G N 3.162 111.948 108.800 -0.024 0.000 2.546 472 G HA2 0.274 4.234 3.960 -0.000 0.000 0.239 472 G HA3 0.274 4.234 3.960 -0.000 0.000 0.239 472 G C 0.304 175.194 174.900 -0.016 0.000 1.476 472 G CA -0.207 44.883 45.100 -0.017 0.000 1.064 472 G HN 0.650 nan 8.290 nan 0.000 0.561 473 S N -1.417 114.275 115.700 -0.013 0.000 2.592 473 S HA 0.436 4.906 4.470 -0.000 0.000 0.271 473 S C 1.341 175.934 174.600 -0.011 0.000 1.326 473 S CA 0.984 59.176 58.200 -0.014 0.000 1.024 473 S CB 0.332 63.526 63.200 -0.010 0.000 0.921 473 S HN 2.105 nan 8.310 nan 0.000 0.527 474 G N 2.003 110.795 108.800 -0.013 0.000 2.155 474 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.257 474 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.257 474 G C 1.232 176.126 174.900 -0.010 0.000 0.983 474 G CA 0.670 45.765 45.100 -0.008 0.000 0.676 474 G HN 2.138 nan 8.290 nan 0.000 0.528 475 G N -1.199 107.588 108.800 -0.022 0.000 2.212 475 G HA2 0.129 4.089 3.960 -0.000 0.000 0.266 475 G HA3 0.129 4.089 3.960 -0.000 0.000 0.266 475 G C 0.965 175.850 174.900 -0.025 0.000 0.978 475 G CA 1.262 46.342 45.100 -0.033 0.000 0.632 475 G HN 2.358 nan 8.290 nan 0.000 0.537 476 A N 0.347 123.162 122.820 -0.008 0.000 2.522 476 A HA 0.666 4.986 4.320 -0.000 0.000 0.256 476 A C 0.928 178.507 177.584 -0.009 0.000 1.086 476 A CA 1.272 53.312 52.037 0.006 0.000 0.763 476 A CB 0.132 19.140 19.000 0.014 0.000 1.024 476 A HN 2.082 nan 8.150 nan 0.000 0.502 477 A N 3.085 125.903 122.820 -0.002 0.000 2.310 477 A HA 0.608 4.928 4.320 -0.000 0.000 0.299 477 A C 0.783 178.382 177.584 0.025 0.000 1.147 477 A CA 0.201 52.225 52.037 -0.022 0.000 0.818 477 A CB 0.384 19.357 19.000 -0.046 0.000 1.096 477 A HN 1.556 nan 8.150 nan 0.000 0.495 478 S N 1.952 117.659 115.700 0.011 0.000 2.585 478 S HA 0.093 4.563 4.470 -0.000 0.000 0.273 478 S C 0.311 174.985 174.600 0.122 0.000 1.339 478 S CA -0.461 57.764 58.200 0.041 0.000 1.028 478 S CB -0.241 62.966 63.200 0.011 0.000 0.906 478 S HN 0.731 nan 8.310 nan 0.000 0.528 479 N N 2.087 120.832 118.700 0.075 0.000 2.412 479 N HA 0.370 5.110 4.740 -0.000 0.000 0.254 479 N C -0.482 175.106 175.510 0.130 0.000 1.232 479 N CA 0.413 53.487 53.050 0.040 0.000 0.880 479 N CB 0.154 38.638 38.487 -0.005 0.000 1.076 479 N HN 0.582 nan 8.380 nan 0.000 0.458 480 F N -1.677 118.215 119.950 -0.097 0.000 2.715 480 F HA 0.580 5.106 4.527 -0.000 0.000 0.318 480 F C -0.822 174.931 175.800 -0.078 0.000 1.141 480 F CA -1.083 56.868 58.000 -0.081 0.000 0.950 480 F CB 1.048 39.994 39.000 -0.089 0.000 1.374 480 F HN 0.040 nan 8.300 nan 0.000 0.477 481 T N 2.592 117.220 114.554 0.123 0.000 2.779 481 T HA 0.521 4.871 4.350 -0.000 0.000 0.280 481 T C -1.296 173.487 174.700 0.137 0.000 0.987 481 T CA -0.286 61.822 62.100 0.013 0.000 0.966 481 T CB 1.276 70.167 68.868 0.038 0.000 0.933 481 T HN 0.686 nan 8.240 nan 0.000 0.442 482 L N 4.589 125.819 121.223 0.011 0.000 2.287 482 L HA 0.670 5.010 4.340 -0.000 0.000 0.280 482 L C 0.597 177.505 176.870 0.063 0.000 1.055 482 L CA -0.371 54.530 54.840 0.100 0.000 0.863 482 L CB -0.387 41.697 42.059 0.041 0.000 1.245 482 L HN 0.790 nan 8.230 nan 0.000 0.432 483 A N 4.139 127.010 122.820 0.086 0.000 2.577 483 A HA 0.432 4.752 4.320 -0.000 0.000 0.233 483 A C 0.726 178.342 177.584 0.053 0.000 1.076 483 A CA 0.333 52.407 52.037 0.062 0.000 0.767 483 A CB -0.106 18.933 19.000 0.064 0.000 1.017 483 A HN 1.102 nan 8.150 nan 0.000 0.511 484 A N 0.686 123.532 122.820 0.044 0.000 2.522 484 A HA 0.482 4.802 4.320 -0.000 0.000 0.256 484 A C 1.665 179.279 177.584 0.051 0.000 1.086 484 A CA 0.787 52.849 52.037 0.043 0.000 0.763 484 A CB -1.098 17.924 19.000 0.036 0.000 1.024 484 A HN 2.798 nan 8.150 nan 0.000 0.502 485 G N 2.060 110.896 108.800 0.059 0.000 2.155 485 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.257 485 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.257 485 G C 0.836 175.778 174.900 0.071 0.000 0.983 485 G CA 0.654 45.798 45.100 0.072 0.000 0.676 485 G HN 1.919 nan 8.290 nan 0.000 0.528 486 G N -0.908 107.932 108.800 0.067 0.000 2.491 486 G HA2 0.569 4.529 3.960 -0.000 0.000 0.242 486 G HA3 0.569 4.529 3.960 -0.000 0.000 0.242 486 G C -0.118 174.814 174.900 0.053 0.000 1.266 486 G CA 0.823 45.959 45.100 0.061 0.000 0.844 486 G HN 0.827 nan 8.290 nan 0.000 0.571 487 T N 0.298 114.859 114.554 0.012 0.000 3.335 487 T HA 0.590 4.940 4.350 -0.000 0.000 0.321 487 T C -0.275 174.334 174.700 -0.150 0.000 0.960 487 T CA -0.080 61.999 62.100 -0.035 0.000 1.034 487 T CB 1.392 70.260 68.868 -0.001 0.000 1.040 487 T HN 1.019 nan 8.240 nan 0.000 0.454 488 A N 2.528 125.155 122.820 -0.321 0.000 2.374 488 A HA 0.915 5.235 4.320 -0.000 0.000 0.317 488 A C -0.855 176.163 177.584 -0.944 0.000 1.094 488 A CA -0.759 50.882 52.037 -0.660 0.000 0.765 488 A CB 1.456 19.950 19.000 -0.842 0.000 1.268 488 A HN 0.657 nan 8.150 nan 0.000 0.438 489 V N 2.985 122.366 119.914 -0.889 0.000 2.419 489 V HA 0.374 4.494 4.120 -0.000 0.000 0.287 489 V C -0.993 174.760 176.094 -0.569 0.000 1.017 489 V CA -0.572 61.333 62.300 -0.659 0.000 0.844 489 V CB 0.673 32.300 31.823 -0.326 0.000 1.011 489 V HN 0.839 nan 8.190 nan 0.000 0.429 490 W N 3.905 125.156 121.300 -0.082 0.000 2.578 490 W HA 0.789 5.449 4.660 -0.000 0.000 0.346 490 W C -0.029 176.457 176.519 -0.056 0.000 1.075 490 W CA -0.633 56.678 57.345 -0.057 0.000 1.233 490 W CB 1.887 31.270 29.460 -0.128 0.000 1.358 490 W HN 0.698 nan 8.180 nan 0.000 0.574 491 Q N 0.801 120.754 119.800 0.255 0.000 2.630 491 Q HA 0.648 4.988 4.340 -0.000 0.000 0.295 491 Q C -2.258 173.941 176.000 0.332 0.000 0.944 491 Q CA -1.130 54.782 55.803 0.182 0.000 0.766 491 Q CB 3.213 32.011 28.738 0.100 0.000 1.471 491 Q HN 0.413 nan 8.270 nan 0.000 0.416 492 Y N 0.507 120.882 120.300 0.124 0.000 2.358 492 Y HA 0.568 5.118 4.550 -0.000 0.000 0.324 492 Y C -1.794 174.163 175.900 0.094 0.000 1.123 492 Y CA -0.039 58.160 58.100 0.166 0.000 1.067 492 Y CB 2.253 40.847 38.460 0.224 0.000 1.230 492 Y HN 0.965 nan 8.280 nan 0.000 0.429 493 T N 2.741 116.886 114.554 -0.681 0.000 2.887 493 T HA 1.005 5.355 4.350 -0.000 0.000 0.288 493 T C -0.812 173.433 174.700 -0.759 0.000 1.021 493 T CA -0.227 61.529 62.100 -0.572 0.000 1.000 493 T CB 1.756 70.480 68.868 -0.239 0.000 1.034 493 T HN 1.390 nan 8.240 nan 0.000 0.467 494 A N 1.235 123.790 122.820 -0.441 0.000 2.612 494 A HA 0.883 5.203 4.320 -0.000 0.000 0.293 494 A C -0.287 177.239 177.584 -0.097 0.000 1.075 494 A CA -0.735 51.155 52.037 -0.245 0.000 0.680 494 A CB 0.807 19.713 19.000 -0.156 0.000 1.279 494 A HN 1.699 nan 8.150 nan 0.000 0.411 495 A N 0.805 123.596 122.820 -0.048 0.000 2.488 495 A HA 0.559 4.879 4.320 -0.000 0.000 0.249 495 A C 0.427 178.005 177.584 -0.010 0.000 1.083 495 A CA 0.516 52.539 52.037 -0.024 0.000 0.768 495 A CB -0.524 18.469 19.000 -0.012 0.000 1.017 495 A HN 0.930 nan 8.150 nan 0.000 0.496 496 T N 2.578 117.122 114.554 -0.017 0.000 2.771 496 T HA 0.464 4.814 4.350 -0.000 0.000 0.291 496 T C 1.255 175.943 174.700 -0.019 0.000 0.954 496 T CA 0.265 62.349 62.100 -0.026 0.000 1.045 496 T CB 1.616 70.453 68.868 -0.051 0.000 0.917 496 T HN 0.835 nan 8.240 nan 0.000 0.484 497 A N 3.062 125.878 122.820 -0.007 0.000 2.014 497 A HA 0.245 4.565 4.320 -0.000 0.000 0.210 497 A C 1.388 178.986 177.584 0.023 0.000 1.188 497 A CA 0.318 52.364 52.037 0.014 0.000 0.731 497 A CB 0.023 19.036 19.000 0.021 0.000 0.858 497 A HN 0.647 nan 8.150 nan 0.000 0.464 498 T N 2.719 117.275 114.554 0.002 0.000 2.869 498 T HA 0.431 4.781 4.350 -0.000 0.000 0.295 498 T C -2.775 171.931 174.700 0.010 0.000 0.987 498 T CA -0.965 61.144 62.100 0.015 0.000 1.109 498 T CB 1.034 69.898 68.868 -0.006 0.000 0.932 498 T HN 0.023 nan 8.240 nan 0.000 0.518 499 P HA 0.206 nan 4.420 nan 0.000 0.265 499 P C -0.837 176.520 177.300 0.094 0.000 1.222 499 P CA -0.097 63.103 63.100 0.166 0.000 0.767 499 P CB 0.129 32.032 31.700 0.339 0.000 0.801 500 T N 5.065 119.597 114.554 -0.037 0.000 2.847 500 T HA 0.445 4.795 4.350 -0.000 0.000 0.291 500 T C 0.355 175.125 174.700 0.116 0.000 0.998 500 T CA -0.419 61.662 62.100 -0.032 0.000 0.967 500 T CB 0.412 69.099 68.868 -0.303 0.000 0.954 500 T HN 0.170 nan 8.240 nan 0.000 0.441 501 I N 2.565 123.271 120.570 0.226 0.000 2.416 501 I HA 0.363 4.533 4.170 -0.000 0.000 0.288 501 I C 1.340 177.604 176.117 0.246 0.000 1.051 501 I CA 0.041 61.491 61.300 0.250 0.000 1.375 501 I CB 1.119 39.241 38.000 0.203 0.000 1.407 501 I HN 0.865 nan 8.210 nan 0.000 0.516 502 G N 4.941 113.717 108.800 -0.040 0.000 2.748 502 G HA2 0.065 4.025 3.960 -0.000 0.000 0.204 502 G HA3 0.065 4.025 3.960 -0.000 0.000 0.204 502 G C 0.331 174.999 174.900 -0.386 0.000 1.095 502 G CA 0.218 45.087 45.100 -0.384 0.000 0.775 502 G HN 0.601 nan 8.290 nan 0.000 0.531 503 H N -1.069 117.710 119.070 -0.484 0.000 3.016 503 H HA 0.631 5.187 4.556 -0.000 0.000 0.362 503 H C -2.009 173.080 175.328 -0.398 0.000 1.233 503 H CA -0.342 55.540 56.048 -0.276 0.000 1.124 503 H CB 2.688 32.309 29.762 -0.235 0.000 1.850 503 H HN -0.093 nan 8.280 nan 0.000 0.549 504 V N 1.514 120.954 119.914 -0.791 0.000 2.852 504 V HA 0.593 4.713 4.120 -0.000 0.000 0.300 504 V C -0.359 175.583 176.094 -0.254 0.000 1.205 504 V CA -0.203 61.752 62.300 -0.575 0.000 0.940 504 V CB 1.897 33.087 31.823 -1.055 0.000 1.047 504 V HN 0.970 nan 8.190 nan 0.000 0.429 505 G N 4.733 113.559 108.800 0.044 0.000 2.702 505 G HA2 0.709 4.669 3.960 -0.000 0.000 0.296 505 G HA3 0.709 4.669 3.960 -0.000 0.000 0.296 505 G C -3.463 171.555 174.900 0.196 0.000 1.463 505 G CA -1.004 44.214 45.100 0.196 0.000 0.890 505 G HN 0.484 nan 8.290 nan 0.000 0.534 506 P HA 0.178 nan 4.420 nan 0.000 0.271 506 P C 0.674 178.112 177.300 0.231 0.000 1.244 506 P CA -0.261 62.953 63.100 0.188 0.000 0.793 506 P CB 0.789 32.562 31.700 0.120 0.000 0.984 507 M N -0.860 118.787 119.600 0.079 0.000 2.428 507 M HA 0.247 4.727 4.480 -0.000 0.000 0.239 507 M C 0.560 176.569 176.300 -0.484 0.000 1.121 507 M CA 0.645 55.922 55.300 -0.037 0.000 1.019 507 M CB -0.165 32.457 32.600 0.038 0.000 1.485 507 M HN 0.431 nan 8.290 nan 0.000 0.484 508 M N 0.527 119.892 119.600 -0.392 0.000 2.322 508 M HA 0.590 5.070 4.480 -0.000 0.000 0.285 508 M C -2.104 174.067 176.300 -0.214 0.000 1.119 508 M CA -0.208 54.836 55.300 -0.427 0.000 0.953 508 M CB 2.554 35.007 32.600 -0.244 0.000 1.701 508 M HN 0.035 nan 8.290 nan 0.000 0.479 509 A N 3.091 125.812 122.820 -0.165 0.000 2.452 509 A HA 0.605 4.925 4.320 -0.000 0.000 0.294 509 A C -2.124 175.479 177.584 0.032 0.000 1.010 509 A CA -0.958 51.071 52.037 -0.014 0.000 0.613 509 A CB 1.348 20.387 19.000 0.065 0.000 1.363 509 A HN 0.842 nan 8.150 nan 0.000 0.463 510 K N 0.057 120.474 120.400 0.028 0.000 2.139 510 K HA 0.774 5.094 4.320 -0.000 0.000 0.243 510 K C -2.854 173.750 176.600 0.006 0.000 0.983 510 K CA -1.881 54.418 56.287 0.020 0.000 0.890 510 K CB 0.436 32.939 32.500 0.005 0.000 1.090 510 K HN 0.302 nan 8.250 nan 0.000 0.445 511 P HA -0.026 nan 4.420 nan 0.000 0.264 511 P C 0.582 177.847 177.300 -0.058 0.000 1.183 511 P CA 1.107 64.161 63.100 -0.077 0.000 0.763 511 P CB 0.532 32.179 31.700 -0.089 0.000 0.807 512 G N 0.838 109.590 108.800 -0.078 0.000 2.313 512 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.215 512 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.215 512 G C 0.059 174.937 174.900 -0.036 0.000 1.023 512 G CA -0.073 44.994 45.100 -0.054 0.000 0.626 512 G HN 0.554 nan 8.290 nan 0.000 0.503 513 V N 2.106 122.010 119.914 -0.017 0.000 2.843 513 V HA 0.458 4.578 4.120 -0.000 0.000 0.305 513 V C 1.027 177.127 176.094 0.010 0.000 1.065 513 V CA 0.886 63.191 62.300 0.009 0.000 1.116 513 V CB 1.424 33.273 31.823 0.043 0.000 0.968 513 V HN 0.334 nan 8.190 nan 0.000 0.487 514 T N 5.678 120.241 114.554 0.014 0.000 2.799 514 T HA 0.603 4.953 4.350 -0.000 0.000 0.286 514 T C -0.157 174.572 174.700 0.047 0.000 0.973 514 T CA -0.088 62.021 62.100 0.015 0.000 1.035 514 T CB 0.522 69.389 68.868 -0.001 0.000 0.932 514 T HN 0.609 nan 8.240 nan 0.000 0.469 515 I N 0.301 120.901 120.570 0.051 0.000 2.750 515 I HA 0.766 4.936 4.170 -0.000 0.000 0.308 515 I C -0.435 175.685 176.117 0.006 0.000 1.016 515 I CA -0.727 60.612 61.300 0.064 0.000 1.098 515 I CB 2.267 40.314 38.000 0.078 0.000 1.279 515 I HN 0.342 nan 8.210 nan 0.000 0.454 516 T N 5.692 120.253 114.554 0.011 0.000 2.779 516 T HA 0.608 4.958 4.350 -0.000 0.000 0.280 516 T C -0.239 174.422 174.700 -0.065 0.000 0.987 516 T CA -0.198 61.891 62.100 -0.018 0.000 0.966 516 T CB 0.986 69.869 68.868 0.025 0.000 0.933 516 T HN 0.406 nan 8.240 nan 0.000 0.442 517 I N 3.563 124.057 120.570 -0.128 0.000 2.354 517 I HA 0.363 4.533 4.170 -0.000 0.000 0.286 517 I C -0.413 175.685 176.117 -0.032 0.000 1.007 517 I CA -0.792 60.404 61.300 -0.174 0.000 1.167 517 I CB 1.190 38.999 38.000 -0.318 0.000 1.320 517 I HN 0.479 nan 8.210 nan 0.000 0.458 518 D N 4.840 125.236 120.400 -0.006 0.000 2.269 518 D HA 0.783 5.423 4.640 -0.000 0.000 0.244 518 D C 0.268 176.506 176.300 -0.103 0.000 0.992 518 D CA -0.104 53.902 54.000 0.010 0.000 0.894 518 D CB 2.701 43.478 40.800 -0.039 0.000 1.248 518 D HN 0.760 nan 8.370 nan 0.000 0.468 519 G N 0.364 109.047 108.800 -0.194 0.000 2.441 519 G HA2 0.272 4.232 3.960 -0.000 0.000 0.225 519 G HA3 0.272 4.232 3.960 -0.000 0.000 0.225 519 G C -1.431 173.205 174.900 -0.440 0.000 1.200 519 G CA -0.662 44.240 45.100 -0.330 0.000 0.947 519 G HN 0.299 nan 8.290 nan 0.000 0.484 520 R N -0.674 119.523 120.500 -0.504 0.000 2.698 520 R HA 0.622 4.962 4.340 -0.000 0.000 0.275 520 R C 0.276 176.288 176.300 -0.479 0.000 1.001 520 R CA -0.074 55.794 56.100 -0.386 0.000 0.896 520 R CB 1.358 31.655 30.300 -0.006 0.000 1.218 520 R HN 2.301 nan 8.270 nan 0.000 0.462 521 G N 1.724 110.338 108.800 -0.310 0.000 2.248 521 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.252 521 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.252 521 G C -0.020 174.903 174.900 0.038 0.000 1.085 521 G CA -0.156 44.878 45.100 -0.109 0.000 0.845 521 G HN 0.448 nan 8.290 nan 0.000 0.494 522 F N 0.656 120.616 119.950 0.017 0.000 2.619 522 F HA 0.434 4.961 4.527 -0.000 0.000 0.293 522 F C 1.941 177.965 175.800 0.374 0.000 1.119 522 F CA 0.828 58.830 58.000 0.002 0.000 1.445 522 F CB -0.230 38.503 39.000 -0.445 0.000 1.119 522 F HN 1.219 nan 8.300 nan 0.000 0.573 523 G N 0.056 109.129 108.800 0.455 0.000 2.756 523 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.678 523 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.678 523 G C 0.696 175.909 174.900 0.522 0.000 1.349 523 G CA -0.040 45.312 45.100 0.421 0.000 0.847 523 G HN 0.418 nan 8.290 nan 0.000 0.548 524 S N -1.444 114.432 115.700 0.295 0.000 2.486 524 S HA 0.395 4.865 4.470 -0.000 0.000 0.220 524 S C 1.222 175.893 174.600 0.118 0.000 1.011 524 S CA 1.213 59.557 58.200 0.240 0.000 0.921 524 S CB -0.009 63.266 63.200 0.125 0.000 0.785 524 S HN 2.023 nan 8.310 nan 0.000 0.517 525 S N 1.340 116.999 115.700 -0.069 0.000 2.578 525 S HA 0.491 4.961 4.470 -0.000 0.000 0.283 525 S C -0.495 173.533 174.600 -0.953 0.000 1.195 525 S CA -0.962 57.045 58.200 -0.323 0.000 1.050 525 S CB 0.997 64.064 63.200 -0.222 0.000 1.012 525 S HN 0.285 nan 8.310 nan 0.000 0.511 526 K N 0.917 120.810 120.400 -0.846 0.000 2.524 526 K HA 0.267 4.586 4.320 -0.000 0.000 0.279 526 K C 0.855 176.691 176.600 -1.274 0.000 0.993 526 K CA 0.374 55.983 56.287 -1.131 0.000 1.030 526 K CB 0.184 32.411 32.500 -0.455 0.000 0.891 526 K HN 0.825 nan 8.250 nan 0.000 0.488 527 G N 1.267 108.950 108.800 -1.861 0.000 3.341 527 G HA2 0.369 4.329 3.960 -0.000 0.000 0.177 527 G HA3 0.369 4.329 3.960 -0.000 0.000 0.177 527 G C -0.889 173.838 174.900 -0.289 0.000 1.236 527 G CA -0.223 44.318 45.100 -0.932 0.000 0.888 527 G HN 0.510 nan 8.290 nan 0.000 0.644 528 T N -0.365 114.197 114.554 0.012 0.000 2.912 528 T HA 0.550 4.900 4.350 -0.000 0.000 0.299 528 T C -1.207 173.455 174.700 -0.063 0.000 1.052 528 T CA -0.248 61.803 62.100 -0.083 0.000 0.996 528 T CB 2.178 70.905 68.868 -0.234 0.000 1.070 528 T HN 0.324 nan 8.240 nan 0.000 0.465 529 V N 3.103 122.908 119.914 -0.182 0.000 2.448 529 V HA 0.461 4.581 4.120 -0.000 0.000 0.295 529 V C -1.325 174.615 176.094 -0.256 0.000 1.025 529 V CA -0.863 61.344 62.300 -0.155 0.000 0.859 529 V CB 1.019 32.794 31.823 -0.080 0.000 0.988 529 V HN 0.834 nan 8.190 nan 0.000 0.431 530 Y N 4.066 124.329 120.300 -0.063 0.000 2.331 530 Y HA 0.532 5.082 4.550 -0.000 0.000 0.338 530 Y C -0.237 175.590 175.900 -0.122 0.000 0.976 530 Y CA -0.590 57.500 58.100 -0.017 0.000 1.137 530 Y CB 1.328 39.787 38.460 -0.002 0.000 1.172 530 Y HN 0.545 nan 8.280 nan 0.000 0.478 531 F N 3.064 123.047 119.950 0.055 0.000 2.318 531 F HA 0.487 5.014 4.527 -0.000 0.000 0.356 531 F C 0.991 176.874 175.800 0.139 0.000 1.109 531 F CA -0.031 57.956 58.000 -0.021 0.000 1.234 531 F CB 0.453 39.305 39.000 -0.247 0.000 1.545 531 F HN 0.831 nan 8.300 nan 0.000 0.534 532 G N 1.892 110.904 108.800 0.353 0.000 2.559 532 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.282 532 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.282 532 G C 1.149 176.210 174.900 0.268 0.000 1.177 532 G CA 0.462 45.787 45.100 0.374 0.000 0.960 532 G HN 0.677 nan 8.290 nan 0.000 0.540 533 T N -1.439 113.273 114.554 0.263 0.000 3.022 533 T HA 0.396 4.746 4.350 -0.000 0.000 0.250 533 T C 1.074 175.933 174.700 0.265 0.000 1.060 533 T CA 1.491 63.721 62.100 0.217 0.000 1.013 533 T CB -0.044 68.912 68.868 0.147 0.000 0.982 533 T HN 0.965 nan 8.240 nan 0.000 0.508 534 T N 3.310 118.010 114.554 0.244 0.000 2.834 534 T HA 0.606 4.956 4.350 -0.000 0.000 0.298 534 T C 0.220 175.014 174.700 0.156 0.000 0.966 534 T CA -0.350 61.848 62.100 0.164 0.000 1.141 534 T CB 0.825 69.742 68.868 0.081 0.000 0.905 534 T HN 0.556 nan 8.240 nan 0.000 0.535 535 A N 3.380 126.232 122.820 0.053 0.000 2.306 535 A HA 0.707 5.027 4.320 -0.000 0.000 0.314 535 A C -0.362 177.128 177.584 -0.157 0.000 1.164 535 A CA -0.657 51.271 52.037 -0.181 0.000 0.822 535 A CB 0.787 19.671 19.000 -0.193 0.000 1.130 535 A HN 0.687 nan 8.150 nan 0.000 0.496 536 V N 2.060 121.842 119.914 -0.221 0.000 2.577 536 V HA 0.728 4.848 4.120 -0.000 0.000 0.303 536 V C -0.099 175.914 176.094 -0.135 0.000 1.042 536 V CA 0.059 62.285 62.300 -0.124 0.000 0.872 536 V CB 1.533 33.334 31.823 -0.037 0.000 0.998 536 V HN 1.327 nan 8.190 nan 0.000 0.423 537 S N 2.649 118.288 115.700 -0.103 0.000 2.588 537 S HA 0.968 5.438 4.470 -0.000 0.000 0.269 537 S C -0.057 174.497 174.600 -0.076 0.000 1.157 537 S CA 0.227 58.369 58.200 -0.097 0.000 0.824 537 S CB 1.829 64.957 63.200 -0.119 0.000 1.126 537 S HN 2.304 nan 8.310 nan 0.000 0.464 538 G N 1.498 110.251 108.800 -0.078 0.000 2.488 538 G HA2 0.172 4.132 3.960 -0.000 0.000 0.237 538 G HA3 0.172 4.132 3.960 -0.000 0.000 0.237 538 G C 1.024 175.896 174.900 -0.046 0.000 1.209 538 G CA 0.725 45.786 45.100 -0.066 0.000 0.929 538 G HN 2.001 nan 8.290 nan 0.000 0.578 539 A N -0.877 121.918 122.820 -0.041 0.000 1.948 539 A HA -0.049 4.271 4.320 -0.000 0.000 0.220 539 A C 1.948 179.516 177.584 -0.028 0.000 1.177 539 A CA 2.752 54.770 52.037 -0.031 0.000 0.636 539 A CB -0.656 18.325 19.000 -0.031 0.000 0.815 539 A HN 0.713 nan 8.150 nan 0.000 0.449 540 D N -0.381 119.998 120.400 -0.035 0.000 2.309 540 D HA -0.041 4.599 4.640 -0.000 0.000 0.212 540 D C 0.484 176.772 176.300 -0.020 0.000 0.968 540 D CA 0.674 54.651 54.000 -0.038 0.000 0.882 540 D CB -0.191 40.574 40.800 -0.058 0.000 0.918 540 D HN 0.492 nan 8.370 nan 0.000 0.503 541 I N 1.782 122.349 120.570 -0.005 0.000 2.256 541 I HA -0.012 4.158 4.170 -0.000 0.000 0.294 541 I C 1.815 177.950 176.117 0.030 0.000 1.127 541 I CA -0.184 61.133 61.300 0.029 0.000 1.247 541 I CB 0.936 38.976 38.000 0.067 0.000 1.460 541 I HN -0.122 nan 8.210 nan 0.000 0.511 542 T N 0.966 115.530 114.554 0.017 0.000 2.759 542 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 542 T C 0.816 175.535 174.700 0.031 0.000 1.042 542 T CA 1.132 63.240 62.100 0.013 0.000 1.140 542 T CB 0.008 68.877 68.868 0.001 0.000 0.864 542 T HN 0.546 nan 8.240 nan 0.000 0.455 543 S N -0.627 115.106 115.700 0.054 0.000 2.535 543 S HA 0.477 4.947 4.470 -0.000 0.000 0.272 543 S C -2.245 172.445 174.600 0.151 0.000 1.149 543 S CA -0.987 57.264 58.200 0.085 0.000 0.888 543 S CB 1.569 64.797 63.200 0.046 0.000 1.110 543 S HN 0.535 nan 8.310 nan 0.000 0.463 544 W N 4.825 126.108 121.300 -0.028 0.000 2.998 544 W HA 0.667 5.327 4.660 -0.000 0.000 0.335 544 W C -1.305 175.225 176.519 0.019 0.000 1.110 544 W CA -0.592 56.738 57.345 -0.025 0.000 1.230 544 W CB 1.697 31.129 29.460 -0.047 0.000 1.405 544 W HN 1.099 nan 8.180 nan 0.000 0.493 545 E N 1.421 121.663 120.200 0.070 0.000 2.447 545 E HA 0.176 4.526 4.350 -0.000 0.000 0.279 545 E C -0.591 176.055 176.600 0.078 0.000 1.053 545 E CA -0.626 55.874 56.400 0.167 0.000 0.840 545 E CB 1.572 31.343 29.700 0.119 0.000 1.409 545 E HN 0.206 nan 8.360 nan 0.000 0.461 546 D N -0.198 120.282 120.400 0.134 0.000 2.158 546 D HA -0.157 4.483 4.640 -0.000 0.000 0.197 546 D C 1.481 177.729 176.300 -0.087 0.000 0.995 546 D CA 2.770 56.816 54.000 0.077 0.000 0.846 546 D CB 0.243 41.071 40.800 0.048 0.000 0.941 546 D HN 0.570 nan 8.370 nan 0.000 0.456 547 T N -3.554 110.978 114.554 -0.036 0.000 3.010 547 T HA 0.167 4.517 4.350 -0.000 0.000 0.257 547 T C 0.522 175.252 174.700 0.050 0.000 1.020 547 T CA -0.537 61.503 62.100 -0.101 0.000 0.938 547 T CB 0.685 69.513 68.868 -0.067 0.000 1.049 547 T HN 0.055 nan 8.240 nan 0.000 0.522 548 Q N 0.068 119.944 119.800 0.128 0.000 2.377 548 Q HA 0.680 5.020 4.340 -0.000 0.000 0.279 548 Q C -2.182 173.756 176.000 -0.104 0.000 1.049 548 Q CA -0.937 54.901 55.803 0.059 0.000 0.825 548 Q CB 2.238 30.977 28.738 0.001 0.000 1.401 548 Q HN 0.405 nan 8.270 nan 0.000 0.404 549 I N 2.296 122.743 120.570 -0.205 0.000 2.569 549 I HA 0.427 4.597 4.170 -0.000 0.000 0.290 549 I C -1.046 174.976 176.117 -0.158 0.000 1.088 549 I CA -0.720 60.399 61.300 -0.303 0.000 1.047 549 I CB 2.286 39.902 38.000 -0.639 0.000 1.237 549 I HN 0.354 nan 8.210 nan 0.000 0.421 550 K N 5.349 125.703 120.400 -0.077 0.000 2.394 550 K HA 0.687 5.007 4.320 -0.000 0.000 0.260 550 K C -1.404 175.185 176.600 -0.018 0.000 0.967 550 K CA -0.603 55.660 56.287 -0.040 0.000 0.855 550 K CB 2.821 35.310 32.500 -0.017 0.000 1.101 550 K HN 0.342 nan 8.250 nan 0.000 0.433 551 V N 2.941 122.844 119.914 -0.018 0.000 2.841 551 V HA 0.358 4.478 4.120 -0.000 0.000 0.310 551 V C -1.297 174.799 176.094 0.004 0.000 1.090 551 V CA -0.927 61.376 62.300 0.006 0.000 0.930 551 V CB 1.968 33.810 31.823 0.031 0.000 1.014 551 V HN 0.646 nan 8.190 nan 0.000 0.425 552 K N 5.330 125.712 120.400 -0.030 0.000 2.298 552 K HA 0.488 4.808 4.320 -0.000 0.000 0.280 552 K C -0.317 176.175 176.600 -0.181 0.000 1.032 552 K CA -0.114 56.129 56.287 -0.073 0.000 0.958 552 K CB 0.941 33.396 32.500 -0.075 0.000 0.978 552 K HN 0.628 nan 8.250 nan 0.000 0.472 553 I N 6.707 127.142 120.570 -0.226 0.000 2.581 553 I HA 0.012 4.182 4.170 -0.000 0.000 0.285 553 I C -1.736 174.082 176.117 -0.498 0.000 1.129 553 I CA -1.751 59.238 61.300 -0.519 0.000 1.397 553 I CB 0.179 38.017 38.000 -0.269 0.000 1.399 553 I HN 0.405 nan 8.210 nan 0.000 0.537 554 P HA -0.032 nan 4.420 nan 0.000 0.270 554 P C -0.292 176.813 177.300 -0.325 0.000 1.227 554 P CA -0.380 62.454 63.100 -0.444 0.000 0.788 554 P CB 0.576 32.000 31.700 -0.459 0.000 0.926 555 A N 1.275 123.974 122.820 -0.201 0.000 3.019 555 A HA 0.321 4.641 4.320 -0.000 0.000 0.262 555 A C 0.782 178.303 177.584 -0.105 0.000 1.509 555 A CA -0.397 51.562 52.037 -0.130 0.000 1.159 555 A CB -1.559 17.391 19.000 -0.083 0.000 1.042 555 A HN 0.412 nan 8.150 nan 0.000 0.641 556 V N -2.779 117.042 119.914 -0.155 0.000 3.441 556 V HA 0.758 4.878 4.120 -0.000 0.000 0.300 556 V C 0.793 176.900 176.094 0.023 0.000 1.062 556 V CA -0.734 61.515 62.300 -0.086 0.000 1.064 556 V CB 0.369 32.053 31.823 -0.232 0.000 1.197 556 V HN 0.707 nan 8.190 nan 0.000 0.451 557 A N 0.570 123.478 122.820 0.146 0.000 2.407 557 A HA 0.622 4.942 4.320 -0.000 0.000 0.248 557 A C 0.863 178.597 177.584 0.251 0.000 1.082 557 A CA 0.143 52.281 52.037 0.168 0.000 0.785 557 A CB -0.361 18.735 19.000 0.159 0.000 1.020 557 A HN 1.925 nan 8.150 nan 0.000 0.489 558 G N -0.095 108.800 108.800 0.157 0.000 2.353 558 G HA2 0.561 4.521 3.960 -0.000 0.000 0.239 558 G HA3 0.561 4.521 3.960 -0.000 0.000 0.239 558 G C 0.416 175.419 174.900 0.172 0.000 1.295 558 G CA 0.633 45.829 45.100 0.160 0.000 0.884 558 G HN 1.860 nan 8.290 nan 0.000 0.537 559 G N 1.077 110.002 108.800 0.208 0.000 2.327 559 G HA2 0.255 4.215 3.960 -0.000 0.000 0.291 559 G HA3 0.255 4.215 3.960 -0.000 0.000 0.291 559 G C -1.350 173.594 174.900 0.073 0.000 1.290 559 G CA -1.038 44.093 45.100 0.052 0.000 0.857 559 G HN 0.719 nan 8.290 nan 0.000 0.520 560 N N -0.131 118.509 118.700 -0.099 0.000 2.422 560 N HA 0.668 5.408 4.740 -0.000 0.000 0.266 560 N C -1.278 174.157 175.510 -0.125 0.000 1.007 560 N CA -0.048 52.998 53.050 -0.007 0.000 0.941 560 N CB 0.703 39.183 38.487 -0.012 0.000 1.115 560 N HN 0.413 nan 8.380 nan 0.000 0.492 561 Y N 0.651 121.087 120.300 0.227 0.000 2.549 561 Y HA 0.464 5.014 4.550 -0.000 0.000 0.339 561 Y C 0.074 176.083 175.900 0.182 0.000 1.053 561 Y CA -1.024 57.209 58.100 0.221 0.000 1.105 561 Y CB 1.308 39.956 38.460 0.314 0.000 1.258 561 Y HN 0.381 nan 8.280 nan 0.000 0.478 562 N N 1.683 120.550 118.700 0.279 0.000 2.419 562 N HA 0.426 5.166 4.740 -0.000 0.000 0.277 562 N C -1.169 174.386 175.510 0.075 0.000 1.006 562 N CA -0.313 52.831 53.050 0.158 0.000 0.923 562 N CB 0.981 39.527 38.487 0.099 0.000 1.140 562 N HN 0.478 nan 8.380 nan 0.000 0.488 563 I N 1.718 122.293 120.570 0.009 0.000 2.321 563 I HA 0.310 4.480 4.170 -0.000 0.000 0.291 563 I C 0.406 176.486 176.117 -0.061 0.000 0.998 563 I CA -0.398 60.794 61.300 -0.180 0.000 1.227 563 I CB 1.052 38.811 38.000 -0.401 0.000 1.368 563 I HN 0.189 nan 8.210 nan 0.000 0.466 564 K N 5.586 125.958 120.400 -0.046 0.000 2.443 564 K HA 0.798 5.118 4.320 -0.000 0.000 0.251 564 K C -1.498 175.159 176.600 0.096 0.000 0.972 564 K CA -0.655 55.655 56.287 0.037 0.000 0.833 564 K CB 3.075 35.597 32.500 0.037 0.000 1.317 564 K HN 0.419 nan 8.250 nan 0.000 0.441 565 V N -1.274 118.703 119.914 0.105 0.000 3.049 565 V HA 0.957 5.076 4.120 -0.000 0.000 0.309 565 V C -1.778 174.445 176.094 0.215 0.000 1.148 565 V CA -0.628 61.745 62.300 0.122 0.000 0.990 565 V CB 1.743 33.482 31.823 -0.140 0.000 1.039 565 V HN 0.870 nan 8.190 nan 0.000 0.430 566 A N 3.124 126.121 122.820 0.295 0.000 2.398 566 A HA 0.837 5.157 4.320 -0.000 0.000 0.301 566 A C -0.292 177.492 177.584 0.335 0.000 1.041 566 A CA -0.535 51.676 52.037 0.289 0.000 0.711 566 A CB 1.286 20.468 19.000 0.304 0.000 1.240 566 A HN 1.513 nan 8.150 nan 0.000 0.420 567 N N 1.672 120.563 118.700 0.318 0.000 2.285 567 N HA 0.383 5.123 4.740 -0.000 0.000 0.262 567 N C 1.237 176.783 175.510 0.061 0.000 1.299 567 N CA 0.217 53.455 53.050 0.313 0.000 0.930 567 N CB 0.160 38.850 38.487 0.339 0.000 1.157 567 N HN 0.668 nan 8.380 nan 0.000 0.532 568 A N -0.303 122.481 122.820 -0.059 0.000 1.883 568 A HA -0.068 4.251 4.320 -0.000 0.000 0.217 568 A C 2.215 179.779 177.584 -0.032 0.000 1.186 568 A CA 2.670 54.637 52.037 -0.116 0.000 0.624 568 A CB -1.646 17.264 19.000 -0.150 0.000 0.822 568 A HN 0.921 nan 8.150 nan 0.000 0.444 569 A N -2.201 120.626 122.820 0.012 0.000 2.024 569 A HA 0.278 4.598 4.320 -0.000 0.000 0.220 569 A C 2.084 179.687 177.584 0.033 0.000 1.164 569 A CA 1.890 53.940 52.037 0.022 0.000 0.643 569 A CB -0.873 18.150 19.000 0.037 0.000 0.806 569 A HN 2.016 nan 8.150 nan 0.000 0.451 570 G N -2.965 105.867 108.800 0.053 0.000 2.192 570 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.193 570 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.193 570 G C 0.304 175.254 174.900 0.084 0.000 0.999 570 G CA 0.182 45.323 45.100 0.068 0.000 0.659 570 G HN 0.628 nan 8.290 nan 0.000 0.503 571 T N 1.920 116.528 114.554 0.090 0.000 2.834 571 T HA 0.572 4.922 4.350 -0.000 0.000 0.298 571 T C 0.718 175.486 174.700 0.114 0.000 0.966 571 T CA 0.734 62.886 62.100 0.088 0.000 1.141 571 T CB 1.530 70.448 68.868 0.084 0.000 0.905 571 T HN 1.261 nan 8.240 nan 0.000 0.535 572 A N 3.487 126.356 122.820 0.083 0.000 2.293 572 A HA 0.700 5.020 4.320 -0.000 0.000 0.302 572 A C 0.770 178.402 177.584 0.080 0.000 1.119 572 A CA -0.764 51.323 52.037 0.084 0.000 0.823 572 A CB 0.525 19.536 19.000 0.018 0.000 1.097 572 A HN 0.876 nan 8.150 nan 0.000 0.491 573 S N 1.609 117.368 115.700 0.098 0.000 2.690 573 S HA 0.389 4.859 4.470 -0.000 0.000 0.285 573 S C 0.316 174.952 174.600 0.061 0.000 1.135 573 S CA -0.585 57.673 58.200 0.096 0.000 1.020 573 S CB 0.219 63.514 63.200 0.159 0.000 1.159 573 S HN 0.913 nan 8.310 nan 0.000 0.534 574 N N -0.364 118.373 118.700 0.062 0.000 2.288 574 N HA 0.128 4.868 4.740 -0.000 0.000 0.237 574 N C -0.877 174.672 175.510 0.065 0.000 1.311 574 N CA -0.440 52.639 53.050 0.049 0.000 0.909 574 N CB 0.134 38.649 38.487 0.047 0.000 1.167 574 N HN 0.410 nan 8.380 nan 0.000 0.476 575 V N 1.186 121.131 119.914 0.052 0.000 2.328 575 V HA 0.097 4.217 4.120 -0.000 0.000 0.278 575 V C -0.864 175.280 176.094 0.083 0.000 1.021 575 V CA -0.708 61.627 62.300 0.059 0.000 0.838 575 V CB -0.177 31.662 31.823 0.028 0.000 0.999 575 V HN 0.571 nan 8.190 nan 0.000 0.447 576 Y N 6.366 126.660 120.300 -0.011 0.000 2.393 576 Y HA 0.399 4.949 4.550 -0.000 0.000 0.338 576 Y C 0.436 176.342 175.900 0.010 0.000 1.029 576 Y CA -0.575 57.520 58.100 -0.007 0.000 1.239 576 Y CB 0.577 39.014 38.460 -0.039 0.000 1.170 576 Y HN 0.792 nan 8.280 nan 0.000 0.515 577 D N 3.034 123.365 120.400 -0.115 0.000 2.374 577 D HA 0.241 4.881 4.640 -0.000 0.000 0.239 577 D C -0.499 175.809 176.300 0.013 0.000 0.991 577 D CA -0.939 53.068 54.000 0.012 0.000 0.960 577 D CB 1.522 42.312 40.800 -0.017 0.000 1.284 577 D HN 0.567 nan 8.370 nan 0.000 0.512 578 N N -1.456 117.308 118.700 0.107 0.000 2.989 578 N HA -0.184 4.556 4.740 -0.000 0.000 0.247 578 N C -1.611 174.015 175.510 0.194 0.000 1.119 578 N CA 0.031 53.143 53.050 0.103 0.000 0.755 578 N CB -1.921 36.581 38.487 0.025 0.000 1.100 578 N HN 0.453 nan 8.380 nan 0.000 0.550 579 F N 1.794 121.838 119.950 0.157 0.000 2.411 579 F HA 0.430 4.957 4.527 -0.000 0.000 0.350 579 F C 0.585 176.504 175.800 0.197 0.000 1.114 579 F CA -0.552 57.558 58.000 0.183 0.000 1.135 579 F CB 0.856 39.969 39.000 0.189 0.000 1.120 579 F HN 0.137 nan 8.300 nan 0.000 0.495 580 E N 5.529 125.471 120.200 -0.430 0.000 2.156 580 E HA 0.428 4.778 4.350 -0.000 0.000 0.279 580 E C -1.636 174.865 176.600 -0.166 0.000 0.965 580 E CA -0.751 55.547 56.400 -0.170 0.000 0.789 580 E CB 1.356 30.962 29.700 -0.157 0.000 1.098 580 E HN 0.504 nan 8.360 nan 0.000 0.397 581 V N 6.787 126.829 119.914 0.213 0.000 2.334 581 V HA 0.192 4.312 4.120 -0.000 0.000 0.267 581 V C 0.370 176.539 176.094 0.126 0.000 1.040 581 V CA -0.525 61.920 62.300 0.243 0.000 0.866 581 V CB 0.483 32.513 31.823 0.345 0.000 1.019 581 V HN 0.718 nan 8.190 nan 0.000 0.468 582 L N 3.386 124.638 121.223 0.049 0.000 2.467 582 L HA 0.175 4.515 4.340 -0.000 0.000 0.270 582 L C 1.646 178.538 176.870 0.037 0.000 1.205 582 L CA 0.152 55.008 54.840 0.025 0.000 0.828 582 L CB 0.595 42.651 42.059 -0.005 0.000 1.101 582 L HN 0.591 nan 8.230 nan 0.000 0.479 583 S N 0.389 116.105 115.700 0.028 0.000 2.515 583 S HA 0.161 4.631 4.470 -0.000 0.000 0.231 583 S C 0.555 175.164 174.600 0.016 0.000 0.987 583 S CA 0.696 58.911 58.200 0.025 0.000 0.936 583 S CB -0.011 63.199 63.200 0.017 0.000 0.766 583 S HN 0.962 nan 8.310 nan 0.000 0.528 584 G N 0.351 109.158 108.800 0.011 0.000 2.350 584 G HA2 0.108 4.068 3.960 -0.000 0.000 0.276 584 G HA3 0.108 4.068 3.960 -0.000 0.000 0.276 584 G C -2.170 172.732 174.900 0.003 0.000 1.313 584 G CA -0.973 44.131 45.100 0.006 0.000 0.903 584 G HN 0.041 nan 8.290 nan 0.000 0.490 585 D N 1.063 121.465 120.400 0.002 0.000 2.449 585 D HA 0.265 4.905 4.640 -0.000 0.000 0.236 585 D C 0.257 176.557 176.300 0.001 0.000 1.149 585 D CA 0.633 54.631 54.000 -0.004 0.000 0.878 585 D CB 0.692 41.489 40.800 -0.004 0.000 1.198 585 D HN 0.293 nan 8.370 nan 0.000 0.446 586 Q N 0.368 120.161 119.800 -0.011 0.000 2.257 586 Q HA 0.593 4.933 4.340 -0.000 0.000 0.262 586 Q C -0.347 175.660 176.000 0.012 0.000 0.997 586 Q CA -0.957 54.846 55.803 0.001 0.000 0.873 586 Q CB 2.275 31.001 28.738 -0.019 0.000 1.312 586 Q HN 0.292 nan 8.270 nan 0.000 0.450 587 V N -2.156 117.787 119.914 0.048 0.000 2.808 587 V HA 0.529 4.649 4.120 -0.000 0.000 0.308 587 V C -0.352 175.808 176.094 0.110 0.000 1.099 587 V CA -0.955 61.390 62.300 0.076 0.000 0.920 587 V CB 1.894 33.769 31.823 0.086 0.000 1.014 587 V HN 0.670 nan 8.190 nan 0.000 0.425 588 S N 2.292 118.080 115.700 0.147 0.000 2.465 588 S HA 0.702 5.172 4.470 -0.000 0.000 0.279 588 S C -0.443 174.250 174.600 0.155 0.000 1.201 588 S CA -0.240 58.081 58.200 0.201 0.000 1.053 588 S CB 0.614 64.032 63.200 0.364 0.000 0.953 588 S HN 0.777 nan 8.310 nan 0.000 0.488 589 V N 5.935 125.918 119.914 0.114 0.000 2.680 589 V HA 0.544 4.664 4.120 -0.000 0.000 0.309 589 V C 0.069 176.125 176.094 -0.064 0.000 1.052 589 V CA -0.997 61.270 62.300 -0.056 0.000 0.908 589 V CB 1.986 33.665 31.823 -0.241 0.000 1.001 589 V HN 0.825 nan 8.190 nan 0.000 0.431 590 R N 3.225 123.634 120.500 -0.152 0.000 2.255 590 R HA 0.517 4.857 4.340 -0.000 0.000 0.326 590 R C -1.623 174.547 176.300 -0.217 0.000 0.986 590 R CA -0.319 55.763 56.100 -0.030 0.000 0.847 590 R CB 0.622 30.972 30.300 0.082 0.000 1.111 590 R HN 0.499 nan 8.270 nan 0.000 0.452 591 F N 3.883 123.847 119.950 0.023 0.000 2.408 591 F HA 0.413 4.940 4.527 -0.000 0.000 0.344 591 F C -0.176 175.679 175.800 0.092 0.000 1.112 591 F CA -0.546 57.462 58.000 0.015 0.000 1.096 591 F CB 1.957 40.983 39.000 0.043 0.000 1.129 591 F HN 0.110 nan 8.300 nan 0.000 0.486 592 V N 4.098 124.106 119.914 0.158 0.000 2.638 592 V HA 0.555 4.675 4.120 -0.000 0.000 0.306 592 V C -1.093 174.964 176.094 -0.062 0.000 1.052 592 V CA -0.913 61.370 62.300 -0.028 0.000 0.885 592 V CB 2.084 33.688 31.823 -0.366 0.000 0.999 592 V HN 0.515 nan 8.190 nan 0.000 0.424 593 V N 5.393 125.240 119.914 -0.112 0.000 2.483 593 V HA 0.603 4.723 4.120 -0.000 0.000 0.297 593 V C -0.652 175.407 176.094 -0.059 0.000 1.027 593 V CA -0.435 61.709 62.300 -0.260 0.000 0.855 593 V CB 1.893 33.281 31.823 -0.726 0.000 0.995 593 V HN 0.954 nan 8.190 nan 0.000 0.424 594 N N 5.107 123.781 118.700 -0.043 0.000 2.492 594 N HA 0.399 5.139 4.740 -0.000 0.000 0.289 594 N C -0.421 175.113 175.510 0.040 0.000 1.133 594 N CA -0.400 52.656 53.050 0.011 0.000 0.961 594 N CB 0.830 39.322 38.487 0.009 0.000 1.186 594 N HN 0.768 nan 8.380 nan 0.000 0.493 595 N N -0.610 118.092 118.700 0.004 0.000 2.671 595 N HA -0.182 4.557 4.740 -0.000 0.000 0.261 595 N C -1.093 174.383 175.510 -0.056 0.000 1.053 595 N CA 0.470 53.505 53.050 -0.025 0.000 0.732 595 N CB -1.262 37.240 38.487 0.024 0.000 0.887 595 N HN 0.684 nan 8.380 nan 0.000 0.546 596 A N 0.319 123.066 122.820 -0.121 0.000 2.802 596 A HA 0.483 4.803 4.320 -0.000 0.000 0.344 596 A C 0.728 178.171 177.584 -0.234 0.000 1.215 596 A CA -0.276 51.580 52.037 -0.301 0.000 0.821 596 A CB 0.318 19.163 19.000 -0.258 0.000 1.099 596 A HN 0.350 nan 8.150 nan 0.000 0.479 597 T N 0.392 114.775 114.554 -0.286 0.000 2.884 597 T HA 0.589 4.939 4.350 -0.000 0.000 0.298 597 T C 0.384 175.106 174.700 0.037 0.000 0.998 597 T CA 0.380 62.430 62.100 -0.082 0.000 1.124 597 T CB 0.809 69.656 68.868 -0.036 0.000 0.931 597 T HN 0.925 nan 8.240 nan 0.000 0.531 598 T N -0.433 114.327 114.554 0.343 0.000 2.864 598 T HA 0.804 5.154 4.350 -0.000 0.000 0.289 598 T C -0.362 174.444 174.700 0.177 0.000 1.082 598 T CA -0.927 61.303 62.100 0.217 0.000 1.009 598 T CB 1.407 70.453 68.868 0.296 0.000 1.234 598 T HN 1.075 nan 8.240 nan 0.000 0.526 599 A N 1.145 124.026 122.820 0.101 0.000 2.306 599 A HA 0.680 5.000 4.320 -0.000 0.000 0.330 599 A C 0.095 177.711 177.584 0.054 0.000 1.146 599 A CA -0.930 51.145 52.037 0.063 0.000 0.827 599 A CB 0.362 19.389 19.000 0.045 0.000 1.178 599 A HN 0.846 nan 8.150 nan 0.000 0.490 600 L N 1.786 123.022 121.223 0.022 0.000 2.660 600 L HA 0.186 4.526 4.340 -0.000 0.000 0.272 600 L C 1.504 178.396 176.870 0.037 0.000 1.194 600 L CA 2.519 57.367 54.840 0.013 0.000 0.945 600 L CB -0.604 41.452 42.059 -0.005 0.000 1.212 600 L HN 1.417 nan 8.230 nan 0.000 0.490 601 G N 3.280 112.113 108.800 0.055 0.000 2.176 601 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.232 601 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.232 601 G C 0.298 175.252 174.900 0.090 0.000 0.986 601 G CA 0.125 45.266 45.100 0.068 0.000 0.643 601 G HN 0.568 nan 8.290 nan 0.000 0.522 602 Q N 0.635 120.497 119.800 0.102 0.000 2.307 602 Q HA 0.575 4.915 4.340 -0.000 0.000 0.262 602 Q C -0.564 175.519 176.000 0.138 0.000 0.961 602 Q CA -0.726 55.139 55.803 0.103 0.000 0.882 602 Q CB 0.583 29.363 28.738 0.070 0.000 1.264 602 Q HN 0.322 nan 8.270 nan 0.000 0.446 603 N N 1.717 120.483 118.700 0.110 0.000 2.402 603 N HA 0.439 5.179 4.740 -0.000 0.000 0.294 603 N C -1.325 174.006 175.510 -0.298 0.000 1.203 603 N CA -0.433 52.584 53.050 -0.056 0.000 0.838 603 N CB 2.135 40.590 38.487 -0.054 0.000 1.306 603 N HN 0.293 nan 8.380 nan 0.000 0.510 604 V N 2.202 121.554 119.914 -0.937 0.000 2.427 604 V HA 0.404 4.524 4.120 -0.000 0.000 0.286 604 V C -0.885 174.872 176.094 -0.562 0.000 1.034 604 V CA -0.295 61.540 62.300 -0.774 0.000 0.893 604 V CB 0.177 31.160 31.823 -1.400 0.000 0.982 604 V HN 0.502 nan 8.190 nan 0.000 0.452 605 Y N 4.002 124.168 120.300 -0.223 0.000 2.630 605 Y HA 0.776 5.326 4.550 -0.000 0.000 0.337 605 Y C -0.187 175.594 175.900 -0.198 0.000 1.051 605 Y CA -1.230 56.738 58.100 -0.219 0.000 1.121 605 Y CB 1.765 40.087 38.460 -0.231 0.000 1.299 605 Y HN 0.555 nan 8.280 nan 0.000 0.498 606 L N 0.380 121.502 121.223 -0.168 0.000 2.354 606 L HA 0.908 5.248 4.340 -0.000 0.000 0.269 606 L C -0.634 176.026 176.870 -0.351 0.000 1.005 606 L CA -0.006 54.545 54.840 -0.480 0.000 0.819 606 L CB 2.360 43.986 42.059 -0.721 0.000 1.311 606 L HN 0.692 nan 8.230 nan 0.000 0.423 607 T N 2.157 116.503 114.554 -0.346 0.000 2.889 607 T HA 0.872 5.222 4.350 -0.000 0.000 0.315 607 T C -0.758 173.758 174.700 -0.307 0.000 1.291 607 T CA 0.057 62.018 62.100 -0.232 0.000 1.028 607 T CB 1.422 70.247 68.868 -0.070 0.000 1.235 607 T HN 1.146 nan 8.240 nan 0.000 0.491 608 G N 0.335 108.788 108.800 -0.579 0.000 2.619 608 G HA2 0.463 4.423 3.960 -0.000 0.000 0.305 608 G HA3 0.463 4.423 3.960 -0.000 0.000 0.305 608 G C 0.309 174.389 174.900 -1.366 0.000 1.330 608 G CA 0.162 44.683 45.100 -0.966 0.000 0.789 608 G HN 1.100 nan 8.290 nan 0.000 0.487 609 S N -1.143 113.966 115.700 -0.985 0.000 2.803 609 S HA 0.360 4.830 4.470 -0.000 0.000 0.228 609 S C 0.468 174.906 174.600 -0.270 0.000 0.953 609 S CA 0.487 58.353 58.200 -0.555 0.000 0.983 609 S CB -1.171 62.002 63.200 -0.044 0.000 0.784 609 S HN 1.692 nan 8.310 nan 0.000 0.498 610 V N -2.017 117.727 119.914 -0.284 0.000 3.007 610 V HA 0.633 4.753 4.120 -0.000 0.000 0.311 610 V C 1.178 177.195 176.094 -0.129 0.000 1.120 610 V CA -0.446 61.768 62.300 -0.144 0.000 0.980 610 V CB 0.960 32.728 31.823 -0.090 0.000 1.033 610 V HN 0.233 nan 8.190 nan 0.000 0.429 611 S N 0.355 116.016 115.700 -0.064 0.000 2.400 611 S HA -0.202 4.268 4.470 -0.000 0.000 0.232 611 S C 1.255 175.827 174.600 -0.048 0.000 1.025 611 S CA 1.760 59.934 58.200 -0.045 0.000 0.993 611 S CB -0.577 62.621 63.200 -0.003 0.000 0.808 611 S HN 0.898 nan 8.310 nan 0.000 0.478 612 E N 1.131 121.306 120.200 -0.040 0.000 2.409 612 E HA 0.132 4.482 4.350 -0.000 0.000 0.198 612 E C 1.341 177.908 176.600 -0.056 0.000 1.024 612 E CA 0.688 57.072 56.400 -0.028 0.000 0.861 612 E CB -0.269 29.433 29.700 0.002 0.000 0.788 612 E HN 0.596 nan 8.360 nan 0.000 0.521 613 L N -1.728 119.429 121.223 -0.110 0.000 2.808 613 L HA 0.350 4.690 4.340 -0.000 0.000 0.246 613 L C 1.201 177.967 176.870 -0.173 0.000 1.153 613 L CA 0.227 54.963 54.840 -0.173 0.000 0.956 613 L CB 0.542 42.449 42.059 -0.255 0.000 1.270 613 L HN 0.300 nan 8.230 nan 0.000 0.528 614 G N -0.051 108.676 108.800 -0.121 0.000 2.213 614 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.236 614 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.236 614 G C 0.513 175.370 174.900 -0.073 0.000 0.991 614 G CA 0.021 45.071 45.100 -0.084 0.000 0.629 614 G HN 0.312 nan 8.290 nan 0.000 0.517 615 N N -1.218 117.385 118.700 -0.161 0.000 2.758 615 N HA -0.201 4.539 4.740 -0.000 0.000 0.248 615 N C 0.805 176.333 175.510 0.030 0.000 1.076 615 N CA 1.899 54.859 53.050 -0.150 0.000 0.696 615 N CB -1.768 36.700 38.487 -0.031 0.000 0.979 615 N HN 1.345 nan 8.380 nan 0.000 0.550 616 W N -3.063 118.293 121.300 0.093 0.000 1.828 616 W HA -0.250 4.410 4.660 -0.000 0.000 0.253 616 W C 0.297 176.947 176.519 0.218 0.000 1.019 616 W CA 0.251 57.710 57.345 0.191 0.000 0.447 616 W CB -1.324 28.213 29.460 0.130 0.000 2.033 616 W HN 0.240 nan 8.180 nan 0.000 1.268 617 D N 0.909 121.468 120.400 0.266 0.000 2.316 617 D HA 0.163 4.803 4.640 -0.000 0.000 0.245 617 D C -0.787 175.564 176.300 0.085 0.000 1.171 617 D CA -1.894 52.212 54.000 0.176 0.000 0.856 617 D CB 1.227 42.079 40.800 0.087 0.000 1.090 617 D HN -0.182 nan 8.370 nan 0.000 0.476 618 P HA -0.092 nan 4.420 nan 0.000 0.219 618 P C 0.803 178.012 177.300 -0.151 0.000 1.146 618 P CA 0.787 63.823 63.100 -0.107 0.000 0.808 618 P CB 0.202 31.839 31.700 -0.105 0.000 0.779 619 A N -0.344 122.432 122.820 -0.074 0.000 2.119 619 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 619 A C 1.798 179.335 177.584 -0.078 0.000 1.152 619 A CA 1.074 53.060 52.037 -0.085 0.000 0.708 619 A CB -0.609 18.366 19.000 -0.041 0.000 0.805 619 A HN 0.173 nan 8.150 nan 0.000 0.460 620 K N -0.188 120.177 120.400 -0.060 0.000 2.455 620 K HA 0.409 4.729 4.320 -0.000 0.000 0.206 620 K C 0.247 176.811 176.600 -0.059 0.000 1.027 620 K CA 0.113 56.373 56.287 -0.046 0.000 1.113 620 K CB 0.728 33.211 32.500 -0.029 0.000 0.850 620 K HN 0.360 nan 8.250 nan 0.000 0.503 621 A N 1.496 124.258 122.820 -0.096 0.000 2.445 621 A HA 0.212 4.532 4.320 -0.000 0.000 0.242 621 A C 0.225 177.802 177.584 -0.012 0.000 1.075 621 A CA -0.324 51.656 52.037 -0.095 0.000 0.777 621 A CB 0.107 19.012 19.000 -0.159 0.000 1.013 621 A HN 0.111 nan 8.150 nan 0.000 0.493 622 I N 1.494 122.031 120.570 -0.055 0.000 2.588 622 I HA 0.526 4.696 4.170 -0.000 0.000 0.283 622 I C 1.064 177.088 176.117 -0.156 0.000 1.119 622 I CA 1.192 62.449 61.300 -0.070 0.000 1.419 622 I CB -0.456 37.481 38.000 -0.105 0.000 1.394 622 I HN 1.029 nan 8.210 nan 0.000 0.562 623 G N 7.393 116.005 108.800 -0.314 0.000 2.357 623 G HA2 0.177 4.137 3.960 -0.000 0.000 0.289 623 G HA3 0.177 4.137 3.960 -0.000 0.000 0.289 623 G C -3.214 171.463 174.900 -0.371 0.000 1.302 623 G CA -0.890 43.788 45.100 -0.702 0.000 0.936 623 G HN 0.429 nan 8.290 nan 0.000 0.513 624 P HA 0.433 nan 4.420 nan 0.000 0.272 624 P C 0.260 177.110 177.300 -0.749 0.000 1.223 624 P CA -0.191 62.336 63.100 -0.956 0.000 0.784 624 P CB 0.418 31.808 31.700 -0.517 0.000 0.923 625 M N 1.036 120.289 119.600 -0.579 0.000 2.228 625 M HA 0.198 4.678 4.480 -0.000 0.000 0.326 625 M C 0.019 176.454 176.300 0.226 0.000 1.122 625 M CA 0.092 55.237 55.300 -0.259 0.000 1.161 625 M CB 0.031 32.658 32.600 0.047 0.000 1.437 625 M HN 0.258 nan 8.290 nan 0.000 0.465 626 Y N 1.401 121.781 120.300 0.132 0.000 2.354 626 Y HA 0.264 4.814 4.550 -0.000 0.000 0.322 626 Y C 0.550 176.441 175.900 -0.015 0.000 1.253 626 Y CA -1.383 56.676 58.100 -0.069 0.000 1.272 626 Y CB 0.529 38.723 38.460 -0.442 0.000 1.255 626 Y HN 0.686 nan 8.280 nan 0.000 0.500 627 N N -0.582 118.199 118.700 0.134 0.000 2.550 627 N HA 0.067 4.807 4.740 -0.000 0.000 0.277 627 N C -0.613 174.902 175.510 0.009 0.000 1.595 627 N CA -0.356 52.671 53.050 -0.039 0.000 0.888 627 N CB -0.326 37.739 38.487 -0.702 0.000 1.424 627 N HN 0.790 nan 8.380 nan 0.000 0.501 628 Q N -1.998 117.874 119.800 0.119 0.000 1.907 628 Q HA 0.258 4.598 4.340 -0.000 0.000 0.195 628 Q C -0.755 175.232 176.000 -0.021 0.000 0.742 628 Q CA -0.111 55.695 55.803 0.006 0.000 0.877 628 Q CB 0.358 29.073 28.738 -0.038 0.000 1.216 628 Q HN 0.006 nan 8.270 nan 0.000 0.417 629 V N -0.192 119.719 119.914 -0.005 0.000 3.134 629 V HA 0.087 4.207 4.120 -0.000 0.000 0.222 629 V C 1.767 177.682 176.094 -0.298 0.000 1.247 629 V CA 0.694 62.924 62.300 -0.116 0.000 1.281 629 V CB 0.918 32.704 31.823 -0.061 0.000 1.169 629 V HN 0.129 nan 8.190 nan 0.000 0.512 630 V N -0.936 118.658 119.914 -0.533 0.000 2.788 630 V HA 0.100 4.220 4.120 -0.000 0.000 0.251 630 V C 0.166 175.612 176.094 -1.080 0.000 1.068 630 V CA 1.194 62.965 62.300 -0.881 0.000 1.090 630 V CB -0.475 30.663 31.823 -1.142 0.000 0.710 630 V HN 0.538 nan 8.190 nan 0.000 0.467 631 Y N -0.297 119.623 120.300 -0.633 0.000 2.519 631 Y HA 0.582 5.132 4.550 -0.000 0.000 0.336 631 Y C -0.523 175.300 175.900 -0.128 0.000 1.089 631 Y CA -1.548 56.361 58.100 -0.319 0.000 1.025 631 Y CB 1.571 39.877 38.460 -0.257 0.000 1.318 631 Y HN -0.009 nan 8.280 nan 0.000 0.452 632 Q N 1.774 121.597 119.800 0.039 0.000 2.266 632 Q HA 0.282 4.622 4.340 -0.000 0.000 0.261 632 Q C -0.873 175.130 176.000 0.004 0.000 0.985 632 Q CA -1.138 54.672 55.803 0.011 0.000 0.873 632 Q CB 1.985 30.714 28.738 -0.015 0.000 1.306 632 Q HN 0.793 nan 8.270 nan 0.000 0.447 633 Y N 3.792 123.968 120.300 -0.207 0.000 2.890 633 Y HA -0.046 4.504 4.550 -0.000 0.000 0.341 633 Y C -1.385 174.456 175.900 -0.099 0.000 1.269 633 Y CA -0.578 57.361 58.100 -0.267 0.000 1.517 633 Y CB 0.477 38.738 38.460 -0.332 0.000 1.314 633 Y HN 0.461 nan 8.280 nan 0.000 0.622 634 P HA 0.099 nan 4.420 nan 0.000 0.249 634 P C -1.263 175.860 177.300 -0.294 0.000 1.593 634 P CA 0.235 62.694 63.100 -1.069 0.000 0.896 634 P CB -0.163 31.014 31.700 -0.871 0.000 1.581 635 N N 0.714 119.316 118.700 -0.163 0.000 2.444 635 N HA 0.222 4.962 4.740 -0.000 0.000 0.262 635 N C -0.825 174.741 175.510 0.093 0.000 0.974 635 N CA -0.206 52.867 53.050 0.040 0.000 0.933 635 N CB 0.489 39.022 38.487 0.076 0.000 1.137 635 N HN 0.031 nan 8.380 nan 0.000 0.498 636 W N 2.430 123.764 121.300 0.057 0.000 2.578 636 W HA 0.510 5.170 4.660 -0.000 0.000 0.353 636 W C -0.001 176.643 176.519 0.208 0.000 1.088 636 W CA -0.638 56.808 57.345 0.168 0.000 1.235 636 W CB 0.446 29.960 29.460 0.089 0.000 1.362 636 W HN 0.401 nan 8.180 nan 0.000 0.592 637 Y N -0.630 119.857 120.300 0.311 0.000 2.655 637 Y HA 0.787 5.337 4.550 -0.000 0.000 0.336 637 Y C -2.029 174.105 175.900 0.389 0.000 1.154 637 Y CA -2.901 55.327 58.100 0.212 0.000 1.055 637 Y CB 1.356 39.826 38.460 0.018 0.000 1.295 637 Y HN 0.497 nan 8.280 nan 0.000 0.465 638 Y N 0.323 120.671 120.300 0.081 0.000 2.522 638 Y HA 0.328 4.878 4.550 -0.000 0.000 0.326 638 Y C -1.958 174.054 175.900 0.186 0.000 1.198 638 Y CA -1.422 56.661 58.100 -0.028 0.000 1.112 638 Y CB 1.686 40.086 38.460 -0.100 0.000 1.342 638 Y HN 0.795 nan 8.280 nan 0.000 0.460 639 D N 3.964 124.266 120.400 -0.163 0.000 2.359 639 D HA 0.484 5.124 4.640 -0.000 0.000 0.230 639 D C -0.880 175.477 176.300 0.096 0.000 1.118 639 D CA 0.128 54.164 54.000 0.061 0.000 0.844 639 D CB 1.801 42.679 40.800 0.130 0.000 1.059 639 D HN 0.191 nan 8.370 nan 0.000 0.493 640 V N 1.391 121.471 119.914 0.277 0.000 2.628 640 V HA 0.294 4.414 4.120 -0.000 0.000 0.306 640 V C 0.337 176.581 176.094 0.250 0.000 1.045 640 V CA -0.800 61.675 62.300 0.292 0.000 0.905 640 V CB 2.118 34.151 31.823 0.350 0.000 0.997 640 V HN 0.462 nan 8.190 nan 0.000 0.436 641 S N 3.922 119.731 115.700 0.181 0.000 2.411 641 S HA 0.599 5.069 4.470 -0.000 0.000 0.294 641 S C -0.528 174.148 174.600 0.127 0.000 1.115 641 S CA -0.474 57.804 58.200 0.130 0.000 1.071 641 S CB 0.277 63.520 63.200 0.071 0.000 0.967 641 S HN 0.905 nan 8.310 nan 0.000 0.488 642 V N 2.920 122.923 119.914 0.148 0.000 3.074 642 V HA 0.823 4.943 4.120 -0.000 0.000 0.314 642 V C -2.924 173.231 176.094 0.100 0.000 1.117 642 V CA -3.052 59.335 62.300 0.145 0.000 1.014 642 V CB 1.465 33.443 31.823 0.258 0.000 1.057 642 V HN 0.582 nan 8.190 nan 0.000 0.438 643 P HA 0.326 nan 4.420 nan 0.000 0.271 643 P C -0.100 177.233 177.300 0.056 0.000 1.226 643 P CA 0.382 63.509 63.100 0.045 0.000 0.765 643 P CB 0.579 32.293 31.700 0.023 0.000 0.835 644 A N 3.542 126.392 122.820 0.049 0.000 2.445 644 A HA 0.443 4.763 4.320 -0.000 0.000 0.242 644 A C 1.615 179.224 177.584 0.042 0.000 1.075 644 A CA 0.569 52.639 52.037 0.054 0.000 0.777 644 A CB -1.165 17.861 19.000 0.044 0.000 1.013 644 A HN 0.833 nan 8.150 nan 0.000 0.493 645 G N 0.872 109.702 108.800 0.050 0.000 2.205 645 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.269 645 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.269 645 G C 0.363 175.273 174.900 0.017 0.000 0.977 645 G CA 0.984 46.106 45.100 0.037 0.000 0.652 645 G HN 0.785 nan 8.290 nan 0.000 0.539 646 K N 0.766 121.168 120.400 0.004 0.000 2.144 646 K HA 0.436 4.756 4.320 -0.000 0.000 0.270 646 K C 0.010 176.552 176.600 -0.098 0.000 1.005 646 K CA -0.149 56.119 56.287 -0.033 0.000 0.932 646 K CB 0.987 33.468 32.500 -0.032 0.000 1.021 646 K HN 0.120 nan 8.250 nan 0.000 0.462 647 T N 3.313 117.809 114.554 -0.096 0.000 2.728 647 T HA 0.401 4.751 4.350 -0.000 0.000 0.296 647 T C 0.334 174.920 174.700 -0.190 0.000 0.940 647 T CA -0.437 61.579 62.100 -0.140 0.000 1.013 647 T CB -0.038 68.800 68.868 -0.050 0.000 0.912 647 T HN 0.300 nan 8.240 nan 0.000 0.484 648 I N 2.504 122.834 120.570 -0.401 0.000 2.474 648 I HA 0.368 4.538 4.170 -0.000 0.000 0.294 648 I C 0.351 176.451 176.117 -0.028 0.000 1.005 648 I CA -0.785 60.337 61.300 -0.295 0.000 1.113 648 I CB 2.044 39.788 38.000 -0.428 0.000 1.289 648 I HN 0.469 nan 8.210 nan 0.000 0.436 649 E N 5.475 125.749 120.200 0.123 0.000 2.175 649 E HA 0.567 4.917 4.350 -0.000 0.000 0.278 649 E C -1.323 175.485 176.600 0.347 0.000 0.969 649 E CA -0.496 56.075 56.400 0.285 0.000 0.796 649 E CB 1.736 31.648 29.700 0.354 0.000 1.104 649 E HN 0.425 nan 8.360 nan 0.000 0.395 650 F N 0.466 120.596 119.950 0.299 0.000 2.726 650 F HA 0.742 5.269 4.527 -0.000 0.000 0.324 650 F C -0.924 175.116 175.800 0.400 0.000 1.140 650 F CA -1.091 57.024 58.000 0.191 0.000 0.964 650 F CB 1.467 40.507 39.000 0.066 0.000 1.399 650 F HN 0.130 nan 8.300 nan 0.000 0.491 651 K N 0.062 120.683 120.400 0.369 0.000 2.642 651 K HA 0.542 4.862 4.320 -0.000 0.000 0.290 651 K C -2.179 174.470 176.600 0.080 0.000 1.006 651 K CA -0.661 55.848 56.287 0.369 0.000 0.869 651 K CB 2.471 35.264 32.500 0.490 0.000 1.499 651 K HN 0.525 nan 8.250 nan 0.000 0.403 652 F N 1.483 121.535 119.950 0.169 0.000 2.541 652 F HA 0.675 5.202 4.527 -0.000 0.000 0.331 652 F C -0.218 175.644 175.800 0.102 0.000 1.057 652 F CA -0.909 57.182 58.000 0.151 0.000 0.975 652 F CB 1.144 40.321 39.000 0.295 0.000 1.246 652 F HN 0.292 nan 8.300 nan 0.000 0.484 653 L N -0.953 120.448 121.223 0.296 0.000 2.465 653 L HA 0.704 5.044 4.340 -0.000 0.000 0.257 653 L C -1.512 175.449 176.870 0.152 0.000 0.988 653 L CA -1.187 53.746 54.840 0.155 0.000 0.827 653 L CB 2.143 43.970 42.059 -0.387 0.000 1.397 653 L HN 0.383 nan 8.230 nan 0.000 0.410 654 K N 1.592 122.051 120.400 0.098 0.000 2.240 654 K HA 0.556 4.876 4.320 -0.000 0.000 0.271 654 K C -1.110 175.487 176.600 -0.005 0.000 1.018 654 K CA -0.583 55.700 56.287 -0.006 0.000 0.874 654 K CB 1.593 34.038 32.500 -0.091 0.000 1.098 654 K HN 0.484 nan 8.250 nan 0.000 0.458 655 K N 2.509 122.937 120.400 0.046 0.000 2.323 655 K HA 0.174 4.494 4.320 -0.000 0.000 0.259 655 K C -0.845 175.775 176.600 0.034 0.000 0.947 655 K CA -0.608 55.651 56.287 -0.046 0.000 0.819 655 K CB 1.935 34.233 32.500 -0.337 0.000 1.109 655 K HN 0.437 nan 8.250 nan 0.000 0.429 656 Q N 2.480 122.282 119.800 0.003 0.000 2.523 656 Q HA 0.276 4.616 4.340 -0.000 0.000 0.251 656 Q C 0.206 176.210 176.000 0.006 0.000 1.033 656 Q CA 0.006 55.824 55.803 0.024 0.000 0.746 656 Q CB 0.914 29.669 28.738 0.027 0.000 1.189 656 Q HN 0.907 nan 8.270 nan 0.000 0.508 657 G N 2.105 110.910 108.800 0.008 0.000 2.609 657 G HA2 -0.396 3.564 3.960 -0.000 0.000 0.288 657 G HA3 -0.396 3.564 3.960 -0.000 0.000 0.288 657 G C 0.533 175.410 174.900 -0.039 0.000 1.211 657 G CA 0.540 45.637 45.100 -0.004 0.000 0.963 657 G HN 0.979 nan 8.290 nan 0.000 0.541 658 S N -0.738 114.942 115.700 -0.034 0.000 2.559 658 S HA 0.424 4.894 4.470 -0.000 0.000 0.226 658 S C 0.769 175.343 174.600 -0.043 0.000 1.000 658 S CA 1.225 59.395 58.200 -0.049 0.000 0.948 658 S CB 0.451 63.633 63.200 -0.030 0.000 0.870 658 S HN 1.007 nan 8.310 nan 0.000 0.497 659 T N 3.085 117.623 114.554 -0.028 0.000 2.799 659 T HA 0.434 4.784 4.350 -0.000 0.000 0.296 659 T C -0.351 174.329 174.700 -0.033 0.000 0.947 659 T CA -0.034 62.059 62.100 -0.011 0.000 1.141 659 T CB 0.907 69.779 68.868 0.006 0.000 0.891 659 T HN 0.134 nan 8.240 nan 0.000 0.533 660 V N 4.217 124.119 119.914 -0.020 0.000 2.513 660 V HA 0.492 4.612 4.120 -0.000 0.000 0.299 660 V C 0.305 176.405 176.094 0.011 0.000 1.035 660 V CA -0.713 61.547 62.300 -0.066 0.000 0.889 660 V CB 2.137 33.888 31.823 -0.120 0.000 0.988 660 V HN 0.912 nan 8.190 nan 0.000 0.440 661 T N 3.888 118.435 114.554 -0.012 0.000 2.864 661 T HA 0.378 4.728 4.350 -0.000 0.000 0.299 661 T C -0.780 174.012 174.700 0.153 0.000 1.011 661 T CA -0.293 61.882 62.100 0.125 0.000 0.975 661 T CB 0.484 69.441 68.868 0.148 0.000 0.962 661 T HN 0.542 nan 8.240 nan 0.000 0.448 662 W N 2.050 123.441 121.300 0.152 0.000 2.251 662 W HA 0.374 5.034 4.660 -0.000 0.000 0.329 662 W C 1.017 177.562 176.519 0.044 0.000 1.234 662 W CA -0.660 56.746 57.345 0.102 0.000 1.228 662 W CB 0.457 29.924 29.460 0.011 0.000 1.135 662 W HN 0.587 nan 8.180 nan 0.000 0.576 663 E N 0.834 121.069 120.200 0.058 0.000 2.404 663 E HA 0.279 4.629 4.350 -0.000 0.000 0.261 663 E C 0.572 177.055 176.600 -0.195 0.000 1.074 663 E CA -0.006 56.076 56.400 -0.530 0.000 0.917 663 E CB 0.606 29.894 29.700 -0.687 0.000 0.965 663 E HN 0.619 nan 8.360 nan 0.000 0.433 664 G N 0.790 109.430 108.800 -0.266 0.000 2.535 664 G HA2 0.546 4.506 3.960 -0.000 0.000 0.303 664 G HA3 0.546 4.506 3.960 -0.000 0.000 0.303 664 G C 0.163 174.956 174.900 -0.178 0.000 1.237 664 G CA -0.018 45.002 45.100 -0.132 0.000 0.986 664 G HN 0.857 nan 8.290 nan 0.000 0.494 665 G N -0.905 107.814 108.800 -0.134 0.000 2.645 665 G HA2 -0.046 3.914 3.960 -0.000 0.000 0.246 665 G HA3 -0.046 3.914 3.960 -0.000 0.000 0.246 665 G C 0.518 175.304 174.900 -0.189 0.000 1.322 665 G CA 0.154 45.166 45.100 -0.146 0.000 0.898 665 G HN 1.259 nan 8.290 nan 0.000 0.573 666 S N 0.220 115.802 115.700 -0.196 0.000 2.634 666 S HA 0.446 4.916 4.470 -0.000 0.000 0.261 666 S C 0.710 175.128 174.600 -0.304 0.000 1.271 666 S CA -0.429 57.646 58.200 -0.209 0.000 0.985 666 S CB 0.386 63.495 63.200 -0.153 0.000 0.968 666 S HN 0.678 nan 8.310 nan 0.000 0.568 667 N N 1.716 120.275 118.700 -0.235 0.000 2.530 667 N HA 0.168 4.908 4.740 -0.000 0.000 0.273 667 N C -0.288 175.045 175.510 -0.294 0.000 1.173 667 N CA 0.042 52.964 53.050 -0.214 0.000 0.967 667 N CB 0.190 38.672 38.487 -0.008 0.000 1.109 667 N HN 0.501 nan 8.380 nan 0.000 0.453 668 H N 0.457 119.350 119.070 -0.295 0.000 2.607 668 H HA 0.317 4.873 4.556 -0.000 0.000 0.367 668 H C 0.107 175.313 175.328 -0.203 0.000 1.181 668 H CA 0.400 56.189 56.048 -0.432 0.000 1.402 668 H CB 0.843 29.955 29.762 -1.084 0.000 1.474 668 H HN 0.352 nan 8.280 nan 0.000 0.596 669 T N 1.980 116.690 114.554 0.260 0.000 2.896 669 T HA 0.543 4.893 4.350 -0.000 0.000 0.297 669 T C -0.959 174.117 174.700 0.626 0.000 1.108 669 T CA -0.755 61.572 62.100 0.378 0.000 1.004 669 T CB 1.597 70.580 68.868 0.192 0.000 1.159 669 T HN 0.575 nan 8.240 nan 0.000 0.499 670 F N -1.610 118.541 119.950 0.334 0.000 2.765 670 F HA 0.573 5.100 4.527 -0.000 0.000 0.313 670 F C -1.588 174.314 175.800 0.169 0.000 1.136 670 F CA -0.915 57.231 58.000 0.242 0.000 0.952 670 F CB 0.599 39.751 39.000 0.252 0.000 1.268 670 F HN 0.432 nan 8.300 nan 0.000 0.441 671 T N 2.972 117.651 114.554 0.208 0.000 2.772 671 T HA 0.743 5.093 4.350 -0.000 0.000 0.288 671 T C 0.132 174.975 174.700 0.239 0.000 0.994 671 T CA -0.069 62.077 62.100 0.077 0.000 0.951 671 T CB 1.127 70.040 68.868 0.076 0.000 0.933 671 T HN 0.963 nan 8.240 nan 0.000 0.447 672 A N 5.790 128.715 122.820 0.174 0.000 2.483 672 A HA 0.498 4.818 4.320 -0.000 0.000 0.238 672 A C -2.206 175.469 177.584 0.151 0.000 1.070 672 A CA -1.130 51.066 52.037 0.265 0.000 0.770 672 A CB -0.335 18.799 19.000 0.223 0.000 1.008 672 A HN 0.473 nan 8.150 nan 0.000 0.497 673 P HA 0.090 nan 4.420 nan 0.000 0.271 673 P C 0.595 177.939 177.300 0.073 0.000 1.216 673 P CA 0.117 63.270 63.100 0.089 0.000 0.771 673 P CB 0.974 32.719 31.700 0.074 0.000 0.864 674 S N 0.876 116.611 115.700 0.058 0.000 2.720 674 S HA 0.175 4.645 4.470 -0.000 0.000 0.222 674 S C 0.421 175.045 174.600 0.040 0.000 0.958 674 S CA 0.148 58.375 58.200 0.045 0.000 0.943 674 S CB -0.648 62.574 63.200 0.036 0.000 0.779 674 S HN 0.484 nan 8.310 nan 0.000 0.526 675 S N -1.627 114.103 115.700 0.049 0.000 2.678 675 S HA 0.521 4.991 4.470 -0.000 0.000 0.290 675 S C -0.003 174.636 174.600 0.065 0.000 1.047 675 S CA 0.039 58.268 58.200 0.049 0.000 0.851 675 S CB 0.502 63.726 63.200 0.040 0.000 1.058 675 S HN 1.771 nan 8.310 nan 0.000 0.451 676 G N 2.191 111.040 108.800 0.081 0.000 2.645 676 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.246 676 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.246 676 G C 0.147 175.112 174.900 0.108 0.000 1.322 676 G CA 0.706 45.868 45.100 0.103 0.000 0.898 676 G HN 2.008 nan 8.290 nan 0.000 0.573 677 T N -2.582 112.033 114.554 0.103 0.000 2.919 677 T HA 1.014 5.364 4.350 -0.000 0.000 0.282 677 T C 0.129 174.854 174.700 0.042 0.000 1.020 677 T CA 0.590 62.744 62.100 0.090 0.000 0.994 677 T CB 1.843 70.779 68.868 0.113 0.000 1.180 677 T HN 2.688 nan 8.240 nan 0.000 0.566 678 A N 0.131 122.952 122.820 0.002 0.000 2.586 678 A HA 0.674 4.994 4.320 -0.000 0.000 0.291 678 A C -0.677 176.828 177.584 -0.132 0.000 1.062 678 A CA -0.918 51.086 52.037 -0.055 0.000 0.666 678 A CB 1.186 20.147 19.000 -0.064 0.000 1.281 678 A HN 0.927 nan 8.150 nan 0.000 0.421 679 T N 1.312 115.778 114.554 -0.146 0.000 2.848 679 T HA 0.609 4.959 4.350 -0.000 0.000 0.285 679 T C -0.673 173.869 174.700 -0.262 0.000 0.995 679 T CA -0.055 61.934 62.100 -0.187 0.000 0.970 679 T CB 0.729 69.560 68.868 -0.063 0.000 0.976 679 T HN 0.452 nan 8.240 nan 0.000 0.441 680 I N 3.785 124.112 120.570 -0.405 0.000 2.354 680 I HA 0.350 4.520 4.170 -0.000 0.000 0.286 680 I C -0.094 175.926 176.117 -0.162 0.000 1.007 680 I CA -0.765 60.312 61.300 -0.372 0.000 1.167 680 I CB 0.980 38.524 38.000 -0.761 0.000 1.320 680 I HN 0.386 nan 8.210 nan 0.000 0.458 681 N N 6.040 124.693 118.700 -0.079 0.000 2.408 681 N HA 0.644 5.384 4.740 -0.000 0.000 0.280 681 N C -1.171 174.332 175.510 -0.012 0.000 1.002 681 N CA -0.167 52.852 53.050 -0.050 0.000 0.907 681 N CB 1.983 40.446 38.487 -0.040 0.000 1.161 681 N HN 0.260 nan 8.380 nan 0.000 0.488 682 V N 2.408 122.296 119.914 -0.043 0.000 3.147 682 V HA 0.450 4.570 4.120 -0.000 0.000 0.306 682 V C -0.540 175.493 176.094 -0.101 0.000 1.209 682 V CA -1.112 61.138 62.300 -0.083 0.000 1.023 682 V CB 2.501 34.211 31.823 -0.189 0.000 1.059 682 V HN 0.593 nan 8.190 nan 0.000 0.435 683 N N 0.854 119.528 118.700 -0.043 0.000 2.456 683 N HA 0.251 4.990 4.740 -0.000 0.000 0.296 683 N C -0.954 174.604 175.510 0.080 0.000 1.102 683 N CA -0.537 52.529 53.050 0.028 0.000 0.924 683 N CB 2.116 40.645 38.487 0.069 0.000 1.186 683 N HN 0.837 nan 8.380 nan 0.000 0.492 684 W N 2.275 123.540 121.300 -0.058 0.000 2.251 684 W HA 0.060 4.720 4.660 -0.000 0.000 0.327 684 W C -0.716 175.842 176.519 0.065 0.000 1.361 684 W CA 0.084 57.422 57.345 -0.012 0.000 1.234 684 W CB 0.347 29.779 29.460 -0.046 0.000 1.212 684 W HN 0.459 nan 8.180 nan 0.000 0.557 685 Q N 7.683 127.208 119.800 -0.458 0.000 2.256 685 Q HA 0.299 4.639 4.340 -0.000 0.000 0.254 685 Q C -1.899 173.889 176.000 -0.354 0.000 0.916 685 Q CA -1.581 54.051 55.803 -0.284 0.000 0.932 685 Q CB 1.677 30.279 28.738 -0.227 0.000 1.207 685 Q HN 0.217 nan 8.270 nan 0.000 0.426 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.204 63.100 0.173 0.000 0.800 686 P CB 0.000 31.835 31.700 0.224 0.000 0.726