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 1pez_1_A DATA FIRST_RESID 1 DATA SEQUENCE APDTSSSNKQ 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 LGIDGIRMDV VKHMPFGWQK SFMAAVNNYK DATA SEQUENCE PVFTFGEWFL GVNEVSPENH KFANESGMSL LDFRFAQKVR QVFRDNTDNM DATA SEQUENCE YGLKAMLEGS AADYAQVDDQ VTFIDNHDME RFHASNANRR KLEQALAFTL DATA SEQUENCE TSRGVPAIYY GTEQYMSGGT DPDNRARIPS FSTSTTAYQV IQKLAPLRKS 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 KFLKKQGSTA TWEGGSNHTF TAPSSGTGTI 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 52.020 52.037 -0.027 0.000 0.836 1 A CB 0.000 18.973 19.000 -0.045 0.000 0.831 2 P HA 0.209 nan 4.420 nan 0.000 0.274 2 P C -0.037 177.232 177.300 -0.052 0.000 1.246 2 P CA 0.207 63.284 63.100 -0.038 0.000 0.795 2 P CB 0.717 32.391 31.700 -0.043 0.000 1.006 3 D N 0.398 120.775 120.400 -0.039 0.000 2.182 3 D HA -0.163 4.477 4.640 -0.000 0.000 0.201 3 D C 1.201 177.449 176.300 -0.087 0.000 0.986 3 D CA 2.075 56.050 54.000 -0.040 0.000 0.847 3 D CB -1.402 39.411 40.800 0.021 0.000 0.942 3 D HN 0.456 nan 8.370 nan 0.000 0.467 4 T N -2.379 112.116 114.554 -0.097 0.000 3.118 4 T HA 0.010 4.360 4.350 -0.000 0.000 0.260 4 T C 1.137 175.743 174.700 -0.157 0.000 1.139 4 T CA 0.124 62.139 62.100 -0.143 0.000 1.085 4 T CB -0.309 68.481 68.868 -0.129 0.000 0.934 4 T HN 0.150 nan 8.240 nan 0.000 0.518 5 S N 1.902 117.521 115.700 -0.135 0.000 2.563 5 S HA 0.100 4.569 4.470 -0.000 0.000 0.284 5 S C 1.628 176.116 174.600 -0.186 0.000 1.331 5 S CA 0.064 58.181 58.200 -0.138 0.000 1.047 5 S CB 0.469 63.602 63.200 -0.112 0.000 0.859 5 S HN 0.626 nan 8.310 nan 0.000 0.514 6 S N 2.361 117.951 115.700 -0.184 0.000 2.555 6 S HA -0.052 4.418 4.470 -0.000 0.000 0.230 6 S C 1.530 175.970 174.600 -0.268 0.000 0.978 6 S CA 0.724 58.788 58.200 -0.228 0.000 0.934 6 S CB -0.479 62.612 63.200 -0.181 0.000 0.766 6 S HN 0.880 nan 8.310 nan 0.000 0.533 7 S N 0.847 116.415 115.700 -0.221 0.000 2.575 7 S HA 0.171 4.641 4.470 -0.000 0.000 0.215 7 S C 0.507 175.010 174.600 -0.162 0.000 0.966 7 S CA -0.444 57.630 58.200 -0.211 0.000 0.911 7 S CB -0.606 62.502 63.200 -0.155 0.000 0.780 7 S HN 0.413 nan 8.310 nan 0.000 0.514 8 N N 2.497 121.088 118.700 -0.181 0.000 2.448 8 N HA 0.207 4.947 4.740 -0.000 0.000 0.250 8 N C 0.341 175.768 175.510 -0.139 0.000 1.136 8 N CA 0.015 52.975 53.050 -0.148 0.000 0.953 8 N CB 0.552 38.933 38.487 -0.176 0.000 1.251 8 N HN 0.401 nan 8.380 nan 0.000 0.502 9 K N 1.904 122.297 120.400 -0.012 0.000 2.459 9 K HA 0.003 4.323 4.320 -0.000 0.000 0.193 9 K C 0.634 177.408 176.600 0.290 0.000 1.030 9 K CA 0.633 57.012 56.287 0.154 0.000 1.026 9 K CB 0.484 33.071 32.500 0.146 0.000 0.809 9 K HN 0.421 nan 8.250 nan 0.000 0.504 10 Q N 0.104 120.012 119.800 0.180 0.000 2.356 10 Q HA 0.087 4.427 4.340 -0.000 0.000 0.205 10 Q C -0.311 175.838 176.000 0.248 0.000 0.901 10 Q CA 0.246 56.203 55.803 0.257 0.000 0.938 10 Q CB 0.492 29.342 28.738 0.188 0.000 1.081 10 Q HN 0.043 nan 8.270 nan 0.000 0.517 11 N N -0.583 118.124 118.700 0.012 0.000 2.480 11 N HA 0.177 4.917 4.740 -0.000 0.000 0.289 11 N C -1.379 173.890 175.510 -0.403 0.000 1.073 11 N CA -0.290 52.548 53.050 -0.354 0.000 0.885 11 N CB 0.510 38.733 38.487 -0.441 0.000 1.421 11 N HN -0.115 nan 8.380 nan 0.000 0.503 12 F N 1.083 120.540 119.950 -0.822 0.000 2.661 12 F HA 0.294 4.821 4.527 -0.000 0.000 0.306 12 F C 1.869 177.340 175.800 -0.549 0.000 1.094 12 F CA -0.111 57.475 58.000 -0.690 0.000 1.254 12 F CB 0.455 38.901 39.000 -0.924 0.000 1.040 12 F HN 0.417 nan 8.300 nan 0.000 0.562 13 S N -0.613 114.853 115.700 -0.389 0.000 2.447 13 S HA -0.148 4.322 4.470 -0.000 0.000 0.233 13 S C 2.146 176.512 174.600 -0.391 0.000 1.006 13 S CA 1.735 59.737 58.200 -0.330 0.000 0.957 13 S CB -0.463 62.591 63.200 -0.245 0.000 0.773 13 S HN 0.531 nan 8.310 nan 0.000 0.507 14 T N -0.796 113.514 114.554 -0.406 0.000 3.086 14 T HA 0.160 4.510 4.350 -0.000 0.000 0.250 14 T C 0.107 174.632 174.700 -0.292 0.000 1.074 14 T CA -0.287 61.581 62.100 -0.386 0.000 0.988 14 T CB 0.054 68.703 68.868 -0.365 0.000 0.988 14 T HN 0.067 nan 8.240 nan 0.000 0.530 15 D N 0.726 120.964 120.400 -0.270 0.000 2.385 15 D HA 0.537 5.177 4.640 -0.000 0.000 0.254 15 D C -0.918 175.309 176.300 -0.121 0.000 1.053 15 D CA -0.504 53.376 54.000 -0.200 0.000 0.992 15 D CB 2.512 43.176 40.800 -0.228 0.000 1.145 15 D HN 0.011 nan 8.370 nan 0.000 0.523 16 V N 1.802 121.676 119.914 -0.067 0.000 2.447 16 V HA 0.291 4.411 4.120 -0.000 0.000 0.292 16 V C 0.104 176.238 176.094 0.066 0.000 1.021 16 V CA -0.636 61.650 62.300 -0.023 0.000 0.850 16 V CB 1.428 33.219 31.823 -0.054 0.000 1.005 16 V HN 0.353 nan 8.190 nan 0.000 0.426 17 I N 4.701 125.347 120.570 0.127 0.000 2.474 17 I HA 0.292 4.462 4.170 -0.000 0.000 0.287 17 I C -0.732 175.546 176.117 0.269 0.000 1.048 17 I CA -0.412 61.028 61.300 0.233 0.000 1.383 17 I CB 0.752 38.919 38.000 0.278 0.000 1.412 17 I HN 0.572 nan 8.210 nan 0.000 0.531 18 Y N 6.201 126.581 120.300 0.134 0.000 2.356 18 Y HA 0.234 4.784 4.550 -0.000 0.000 0.334 18 Y C -0.013 175.942 175.900 0.091 0.000 0.958 18 Y CA -0.532 57.620 58.100 0.086 0.000 1.196 18 Y CB 0.924 39.398 38.460 0.024 0.000 1.137 18 Y HN 0.497 nan 8.280 nan 0.000 0.485 19 Q N 7.038 126.701 119.800 -0.228 0.000 2.314 19 Q HA 0.408 4.748 4.340 -0.000 0.000 0.257 19 Q C -1.245 174.500 176.000 -0.425 0.000 0.975 19 Q CA -0.224 55.371 55.803 -0.347 0.000 0.933 19 Q CB 0.536 28.989 28.738 -0.475 0.000 1.195 19 Q HN 0.777 nan 8.270 nan 0.000 0.426 20 I N 4.122 124.445 120.570 -0.411 0.000 2.362 20 I HA 0.203 4.373 4.170 -0.000 0.000 0.289 20 I C -0.665 175.222 176.117 -0.382 0.000 0.994 20 I CA -0.747 60.283 61.300 -0.449 0.000 1.158 20 I CB 1.002 38.723 38.000 -0.465 0.000 1.315 20 I HN 0.583 nan 8.210 nan 0.000 0.451 21 F N 5.713 125.284 119.950 -0.631 0.000 2.462 21 F HA 0.140 4.667 4.527 -0.000 0.000 0.354 21 F C 1.730 177.313 175.800 -0.361 0.000 1.192 21 F CA 0.054 57.805 58.000 -0.415 0.000 1.173 21 F CB 0.415 39.250 39.000 -0.274 0.000 1.402 21 F HN 0.555 nan 8.300 nan 0.000 0.595 22 T N 1.345 115.696 114.554 -0.338 0.000 2.635 22 T HA -0.376 3.974 4.350 -0.000 0.000 0.265 22 T C 1.691 176.367 174.700 -0.040 0.000 1.058 22 T CA 2.294 64.240 62.100 -0.257 0.000 1.162 22 T CB -0.295 68.151 68.868 -0.702 0.000 0.859 22 T HN 0.600 nan 8.240 nan 0.000 0.449 23 D N 0.204 120.640 120.400 0.061 0.000 2.264 23 D HA -0.082 4.558 4.640 -0.000 0.000 0.208 23 D C 1.908 178.325 176.300 0.195 0.000 0.966 23 D CA 0.695 54.839 54.000 0.241 0.000 0.864 23 D CB 0.138 41.149 40.800 0.351 0.000 0.933 23 D HN 0.114 nan 8.370 nan 0.000 0.499 24 R N -0.692 119.898 120.500 0.151 0.000 2.432 24 R HA 0.126 4.466 4.340 -0.000 0.000 0.260 24 R C 0.732 177.076 176.300 0.075 0.000 0.935 24 R CA -0.173 55.987 56.100 0.099 0.000 1.080 24 R CB -0.358 30.017 30.300 0.127 0.000 1.155 24 R HN 0.267 nan 8.270 nan 0.000 0.531 25 F N 0.429 120.324 119.950 -0.092 0.000 2.293 25 F HA 0.295 4.822 4.527 -0.000 0.000 0.272 25 F C 0.319 176.228 175.800 0.182 0.000 1.053 25 F CA 0.177 58.185 58.000 0.013 0.000 1.152 25 F CB 0.239 39.239 39.000 0.001 0.000 1.119 25 F HN -0.191 nan 8.300 nan 0.000 0.564 26 S N 0.018 115.789 115.700 0.118 0.000 2.649 26 S HA 0.237 4.707 4.470 -0.000 0.000 0.274 26 S C -1.822 172.838 174.600 0.099 0.000 1.176 26 S CA -0.791 57.424 58.200 0.026 0.000 0.988 26 S CB 0.760 63.872 63.200 -0.146 0.000 1.071 26 S HN 0.250 nan 8.310 nan 0.000 0.478 27 D N 3.611 124.066 120.400 0.093 0.000 2.422 27 D HA 0.401 5.041 4.640 -0.000 0.000 0.227 27 D C 1.159 177.505 176.300 0.076 0.000 1.190 27 D CA 0.005 54.068 54.000 0.105 0.000 0.905 27 D CB 0.564 41.440 40.800 0.126 0.000 1.034 27 D HN 0.693 nan 8.370 nan 0.000 0.507 28 G N 3.140 111.986 108.800 0.077 0.000 2.939 28 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.210 28 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.210 28 G C 0.609 175.541 174.900 0.053 0.000 1.160 28 G CA -0.283 44.852 45.100 0.059 0.000 0.770 28 G HN 0.466 nan 8.290 nan 0.000 0.543 29 N N -0.327 118.405 118.700 0.052 0.000 2.640 29 N HA 0.332 5.072 4.740 -0.000 0.000 0.262 29 N C -2.314 173.202 175.510 0.009 0.000 1.174 29 N CA -1.765 51.304 53.050 0.032 0.000 0.791 29 N CB 2.092 40.602 38.487 0.038 0.000 1.279 29 N HN -0.245 nan 8.380 nan 0.000 0.535 30 P HA -0.036 nan 4.420 nan 0.000 0.221 30 P C 0.927 178.176 177.300 -0.084 0.000 1.145 30 P CA 0.928 64.011 63.100 -0.028 0.000 0.795 30 P CB 0.338 32.033 31.700 -0.008 0.000 0.775 31 A N 0.975 123.759 122.820 -0.060 0.000 1.972 31 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 31 A C 1.759 179.280 177.584 -0.105 0.000 1.169 31 A CA 1.965 53.956 52.037 -0.076 0.000 0.635 31 A CB -1.464 17.509 19.000 -0.044 0.000 0.810 31 A HN 0.336 nan 8.150 nan 0.000 0.446 32 N N -0.194 118.449 118.700 -0.096 0.000 2.322 32 N HA 0.017 4.757 4.740 -0.000 0.000 0.194 32 N C -0.572 174.826 175.510 -0.187 0.000 1.126 32 N CA -0.215 52.763 53.050 -0.121 0.000 0.845 32 N CB -0.538 37.898 38.487 -0.085 0.000 0.976 32 N HN 0.197 nan 8.380 nan 0.000 0.475 33 N N 2.122 120.679 118.700 -0.238 0.000 2.483 33 N HA 0.205 4.945 4.740 -0.000 0.000 0.264 33 N C -2.227 172.991 175.510 -0.488 0.000 1.197 33 N CA -1.088 51.730 53.050 -0.387 0.000 0.927 33 N CB 0.281 38.383 38.487 -0.641 0.000 1.065 33 N HN 0.204 nan 8.380 nan 0.000 0.461 34 P HA 0.067 nan 4.420 nan 0.000 0.271 34 P C -0.003 177.096 177.300 -0.334 0.000 1.238 34 P CA -0.005 62.890 63.100 -0.342 0.000 0.794 34 P CB 0.504 32.000 31.700 -0.340 0.000 0.959 35 T N -3.037 111.425 114.554 -0.154 0.000 2.888 35 T HA 0.679 5.029 4.350 -0.000 0.000 0.288 35 T C 0.540 175.268 174.700 0.048 0.000 1.063 35 T CA -0.113 61.937 62.100 -0.084 0.000 1.010 35 T CB 1.190 69.993 68.868 -0.109 0.000 1.214 35 T HN 0.720 nan 8.240 nan 0.000 0.533 36 G N 0.847 109.689 108.800 0.070 0.000 2.582 36 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.288 36 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.288 36 G C 1.160 176.131 174.900 0.118 0.000 1.247 36 G CA 0.684 45.832 45.100 0.079 0.000 0.972 36 G HN 1.883 nan 8.290 nan 0.000 0.557 37 A N -0.372 122.501 122.820 0.089 0.000 2.225 37 A HA 0.426 4.746 4.320 -0.000 0.000 0.215 37 A C 2.531 180.189 177.584 0.124 0.000 1.164 37 A CA 2.361 54.452 52.037 0.090 0.000 0.710 37 A CB -0.590 18.450 19.000 0.067 0.000 0.780 37 A HN 2.230 nan 8.150 nan 0.000 0.473 38 A N -1.986 120.931 122.820 0.162 0.000 2.275 38 A HA 0.535 4.855 4.320 -0.000 0.000 0.212 38 A C 0.168 177.952 177.584 0.334 0.000 1.201 38 A CA -0.038 52.136 52.037 0.228 0.000 0.843 38 A CB -0.189 18.934 19.000 0.206 0.000 0.873 38 A HN 0.503 nan 8.150 nan 0.000 0.492 39 F N -0.751 119.251 119.950 0.087 0.000 2.599 39 F HA 0.612 5.139 4.527 -0.000 0.000 0.311 39 F C -1.859 173.971 175.800 0.050 0.000 1.076 39 F CA -1.374 56.675 58.000 0.081 0.000 0.937 39 F CB 2.015 41.039 39.000 0.040 0.000 1.282 39 F HN -0.039 nan 8.300 nan 0.000 0.460 40 D N 2.531 122.342 120.400 -0.983 0.000 2.351 40 D HA 0.247 4.887 4.640 -0.000 0.000 0.235 40 D C 0.693 176.401 176.300 -0.987 0.000 1.331 40 D CA 0.122 53.682 54.000 -0.733 0.000 0.959 40 D CB 0.957 41.561 40.800 -0.326 0.000 1.432 40 D HN 0.726 nan 8.370 nan 0.000 0.544 41 G N 1.583 109.748 108.800 -1.058 0.000 2.498 41 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.219 41 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.219 41 G C 1.255 176.036 174.900 -0.198 0.000 1.119 41 G CA 1.450 46.266 45.100 -0.474 0.000 0.766 41 G HN 0.534 nan 8.290 nan 0.000 0.552 42 T N -3.907 110.535 114.554 -0.187 0.000 3.129 42 T HA 0.087 4.437 4.350 -0.000 0.000 0.251 42 T C 1.187 175.819 174.700 -0.113 0.000 1.117 42 T CA 0.348 62.384 62.100 -0.106 0.000 1.034 42 T CB -0.605 68.216 68.868 -0.078 0.000 0.968 42 T HN 0.452 nan 8.240 nan 0.000 0.526 43 c N 1.959 120.458 118.600 -0.168 0.000 3.899 43 c HA -0.193 4.377 4.570 -0.000 0.000 0.297 43 c C 1.570 175.596 174.090 -0.107 0.000 1.371 43 c CA 1.018 57.261 56.329 -0.143 0.000 2.088 43 c CB -2.673 39.781 42.510 -0.093 0.000 1.346 43 c HN 0.794 nan 8.230 nan 0.000 0.658 44 T N -0.519 113.971 114.554 -0.108 0.000 3.039 44 T HA 0.015 4.365 4.350 -0.000 0.000 0.250 44 T C 0.810 175.463 174.700 -0.078 0.000 1.052 44 T CA 0.774 62.828 62.100 -0.076 0.000 1.125 44 T CB -0.139 68.692 68.868 -0.062 0.000 0.908 44 T HN 0.679 nan 8.240 nan 0.000 0.473 45 N N 2.317 120.958 118.700 -0.099 0.000 2.521 45 N HA 0.179 4.919 4.740 -0.000 0.000 0.236 45 N C 0.407 175.832 175.510 -0.143 0.000 1.067 45 N CA -0.144 52.851 53.050 -0.092 0.000 0.939 45 N CB 0.304 38.745 38.487 -0.077 0.000 1.201 45 N HN 0.297 nan 8.380 nan 0.000 0.511 46 L N 2.639 123.781 121.223 -0.136 0.000 2.711 46 L HA 0.050 4.390 4.340 -0.000 0.000 0.242 46 L C 1.515 178.171 176.870 -0.357 0.000 1.153 46 L CA 0.449 55.160 54.840 -0.215 0.000 0.898 46 L CB -0.060 41.928 42.059 -0.117 0.000 1.044 46 L HN 0.318 nan 8.230 nan 0.000 0.437 47 R N -1.012 119.336 120.500 -0.253 0.000 2.437 47 R HA 0.265 4.605 4.340 -0.000 0.000 0.257 47 R C -0.458 175.738 176.300 -0.174 0.000 0.927 47 R CA -0.259 55.738 56.100 -0.171 0.000 1.078 47 R CB 0.710 31.044 30.300 0.058 0.000 1.161 47 R HN 0.099 nan 8.270 nan 0.000 0.529 48 L N -0.433 120.642 121.223 -0.246 0.000 2.313 48 L HA 0.349 4.689 4.340 -0.000 0.000 0.268 48 L C -0.201 176.587 176.870 -0.135 0.000 1.010 48 L CA -1.160 53.629 54.840 -0.086 0.000 0.814 48 L CB 0.279 42.327 42.059 -0.018 0.000 1.304 48 L HN -0.106 nan 8.230 nan 0.000 0.441 49 Y N -0.540 119.779 120.300 0.033 0.000 2.511 49 Y HA -0.004 4.546 4.550 -0.000 0.000 0.332 49 Y C 1.126 177.041 175.900 0.025 0.000 1.177 49 Y CA 0.377 58.548 58.100 0.120 0.000 1.422 49 Y CB 0.615 39.219 38.460 0.241 0.000 1.271 49 Y HN 0.550 nan 8.280 nan 0.000 0.550 50 c N 0.782 119.489 118.600 0.179 0.000 2.935 50 c HA 0.332 4.902 4.570 -0.000 0.000 0.308 50 c C 1.746 175.990 174.090 0.257 0.000 1.263 50 c CA 0.586 56.922 56.329 0.013 0.000 1.738 50 c CB -0.357 42.143 42.510 -0.017 0.000 2.237 50 c HN 1.207 nan 8.230 nan 0.000 0.600 51 G N 0.063 109.118 108.800 0.425 0.000 2.336 51 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.194 51 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.194 51 G C 0.436 175.486 174.900 0.250 0.000 0.999 51 G CA -0.099 45.237 45.100 0.393 0.000 0.669 51 G HN 0.760 nan 8.290 nan 0.000 0.482 52 G N 1.136 110.074 108.800 0.231 0.000 2.265 52 G HA2 0.474 4.434 3.960 -0.000 0.000 0.240 52 G HA3 0.474 4.434 3.960 -0.000 0.000 0.240 52 G C 0.076 175.081 174.900 0.175 0.000 1.270 52 G CA 1.254 46.468 45.100 0.190 0.000 0.901 52 G HN 1.036 nan 8.290 nan 0.000 0.507 53 D N 0.139 120.620 120.400 0.135 0.000 2.744 53 D HA 0.304 4.944 4.640 -0.000 0.000 0.304 53 D C 0.513 176.903 176.300 0.150 0.000 1.179 53 D CA -0.934 53.101 54.000 0.058 0.000 1.024 53 D CB 0.304 41.134 40.800 0.050 0.000 1.453 53 D HN 0.295 nan 8.370 nan 0.000 0.529 54 W N -0.638 120.743 121.300 0.135 0.000 2.436 54 W HA 0.019 4.678 4.660 -0.000 0.000 0.284 54 W C 2.009 178.578 176.519 0.083 0.000 1.225 54 W CA 0.700 58.103 57.345 0.098 0.000 1.271 54 W CB -0.837 28.700 29.460 0.128 0.000 1.114 54 W HN 0.527 nan 8.180 nan 0.000 0.559 55 Q N 0.454 120.424 119.800 0.283 0.000 2.167 55 Q HA -0.048 4.292 4.340 -0.000 0.000 0.202 55 Q C 2.339 178.423 176.000 0.140 0.000 0.970 55 Q CA 2.216 58.126 55.803 0.177 0.000 0.855 55 Q CB -0.879 27.936 28.738 0.128 0.000 0.911 55 Q HN 0.150 nan 8.270 nan 0.000 0.438 56 G N 0.329 109.221 108.800 0.155 0.000 2.402 56 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.216 56 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.216 56 G C 1.422 176.426 174.900 0.174 0.000 1.162 56 G CA 0.815 45.987 45.100 0.121 0.000 0.777 56 G HN 0.414 nan 8.290 nan 0.000 0.539 57 I N 0.536 121.278 120.570 0.286 0.000 2.252 57 I HA -0.121 4.049 4.170 -0.000 0.000 0.245 57 I C 2.648 178.877 176.117 0.187 0.000 1.102 57 I CA 0.749 62.247 61.300 0.331 0.000 1.385 57 I CB -0.233 37.926 38.000 0.264 0.000 1.064 57 I HN 0.136 nan 8.210 nan 0.000 0.414 58 I N 1.080 121.730 120.570 0.134 0.000 2.208 58 I HA -0.332 3.838 4.170 -0.000 0.000 0.245 58 I C 2.217 178.363 176.117 0.049 0.000 1.097 58 I CA 1.412 62.755 61.300 0.071 0.000 1.363 58 I CB -0.563 37.477 38.000 0.066 0.000 1.051 58 I HN 0.339 nan 8.210 nan 0.000 0.413 59 N N 0.867 119.591 118.700 0.040 0.000 2.142 59 N HA -0.138 4.602 4.740 -0.000 0.000 0.186 59 N C 1.688 177.170 175.510 -0.046 0.000 1.023 59 N CA 1.090 54.133 53.050 -0.011 0.000 0.852 59 N CB -0.237 38.227 38.487 -0.037 0.000 0.998 59 N HN 0.249 nan 8.380 nan 0.000 0.424 60 K N 0.821 121.196 120.400 -0.042 0.000 2.365 60 K HA 0.127 4.447 4.320 -0.000 0.000 0.199 60 K C 1.945 178.580 176.600 0.059 0.000 1.045 60 K CA 0.174 56.423 56.287 -0.064 0.000 0.962 60 K CB -0.063 32.416 32.500 -0.035 0.000 0.759 60 K HN 0.319 nan 8.250 nan 0.000 0.469 61 I N 0.604 121.213 120.570 0.065 0.000 2.480 61 I HA -0.181 3.989 4.170 -0.000 0.000 0.251 61 I C 1.463 177.592 176.117 0.020 0.000 1.124 61 I CA 0.889 62.217 61.300 0.046 0.000 1.444 61 I CB -0.117 37.905 38.000 0.037 0.000 1.098 61 I HN 0.228 nan 8.210 nan 0.000 0.428 62 N N 0.711 119.417 118.700 0.010 0.000 2.354 62 N HA -0.149 4.591 4.740 -0.000 0.000 0.179 62 N C 0.810 176.318 175.510 -0.004 0.000 1.021 62 N CA 0.991 54.042 53.050 0.001 0.000 0.887 62 N CB 0.085 38.572 38.487 -0.001 0.000 0.974 62 N HN 0.400 nan 8.380 nan 0.000 0.437 63 D N -0.652 119.740 120.400 -0.013 0.000 2.328 63 D HA 0.119 4.759 4.640 -0.000 0.000 0.221 63 D C 1.129 177.436 176.300 0.012 0.000 1.072 63 D CA 0.135 54.127 54.000 -0.015 0.000 0.850 63 D CB -0.011 40.760 40.800 -0.048 0.000 0.922 63 D HN 0.173 nan 8.370 nan 0.000 0.516 64 G N -0.236 108.579 108.800 0.026 0.000 2.176 64 G HA2 -0.443 3.517 3.960 -0.000 0.000 0.253 64 G HA3 -0.443 3.517 3.960 -0.000 0.000 0.253 64 G C 0.657 175.608 174.900 0.084 0.000 0.979 64 G CA 0.359 45.483 45.100 0.040 0.000 0.641 64 G HN 0.355 nan 8.290 nan 0.000 0.530 65 Y N 0.886 121.175 120.300 -0.018 0.000 2.128 65 Y HA 0.032 4.582 4.550 -0.000 0.000 0.284 65 Y C 2.617 178.559 175.900 0.069 0.000 1.154 65 Y CA 2.463 60.590 58.100 0.046 0.000 1.149 65 Y CB -0.316 38.115 38.460 -0.048 0.000 0.976 65 Y HN 0.317 nan 8.280 nan 0.000 0.505 66 L N -1.639 119.537 121.223 -0.078 0.000 2.095 66 L HA -0.143 4.197 4.340 -0.000 0.000 0.204 66 L C 2.302 179.048 176.870 -0.207 0.000 1.080 66 L CA 1.440 56.124 54.840 -0.261 0.000 0.759 66 L CB -0.973 40.993 42.059 -0.155 0.000 0.914 66 L HN 0.115 nan 8.230 nan 0.000 0.439 67 T N 0.114 114.609 114.554 -0.098 0.000 2.684 67 T HA -0.164 4.186 4.350 -0.000 0.000 0.267 67 T C 1.823 176.472 174.700 -0.084 0.000 1.036 67 T CA 1.604 63.657 62.100 -0.078 0.000 1.148 67 T CB -0.618 68.228 68.868 -0.037 0.000 0.863 67 T HN 0.550 nan 8.240 nan 0.000 0.436 68 G N 0.516 109.293 108.800 -0.038 0.000 2.470 68 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.220 68 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.220 68 G C 1.456 176.332 174.900 -0.040 0.000 1.121 68 G CA 0.371 45.484 45.100 0.023 0.000 0.766 68 G HN 0.424 nan 8.290 nan 0.000 0.553 69 M N -0.086 119.341 119.600 -0.288 0.000 2.506 69 M HA 0.222 4.702 4.480 -0.000 0.000 0.260 69 M C 1.766 177.808 176.300 -0.430 0.000 1.104 69 M CA 1.196 56.055 55.300 -0.735 0.000 1.112 69 M CB 0.338 32.290 32.600 -1.079 0.000 1.401 69 M HN 0.363 nan 8.290 nan 0.000 0.473 70 G N 0.450 109.089 108.800 -0.269 0.000 2.176 70 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.232 70 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.232 70 G C -0.043 174.754 174.900 -0.172 0.000 0.986 70 G CA 0.064 45.048 45.100 -0.193 0.000 0.643 70 G HN 0.321 nan 8.290 nan 0.000 0.522 71 V N 1.821 121.616 119.914 -0.198 0.000 2.585 71 V HA 0.459 4.579 4.120 -0.000 0.000 0.296 71 V C 1.629 177.670 176.094 -0.089 0.000 1.035 71 V CA 1.501 63.723 62.300 -0.129 0.000 1.084 71 V CB 1.340 33.057 31.823 -0.177 0.000 0.953 71 V HN 0.830 nan 8.190 nan 0.000 0.483 72 T N 0.740 115.262 114.554 -0.054 0.000 3.091 72 T HA 0.669 5.019 4.350 -0.000 0.000 0.277 72 T C 0.021 174.708 174.700 -0.021 0.000 0.996 72 T CA 0.384 62.446 62.100 -0.064 0.000 0.897 72 T CB 0.434 69.233 68.868 -0.115 0.000 1.109 72 T HN 1.076 nan 8.240 nan 0.000 0.534 73 A N 1.532 124.390 122.820 0.063 0.000 2.594 73 A HA 0.751 5.071 4.320 -0.000 0.000 0.296 73 A C -1.276 176.449 177.584 0.235 0.000 1.061 73 A CA -1.180 50.959 52.037 0.171 0.000 0.689 73 A CB 1.077 20.246 19.000 0.282 0.000 1.280 73 A HN 0.811 nan 8.150 nan 0.000 0.406 74 I N -2.142 118.584 120.570 0.261 0.000 2.689 74 I HA 0.894 5.064 4.170 -0.000 0.000 0.299 74 I C -1.181 175.145 176.117 0.349 0.000 1.059 74 I CA -0.782 60.679 61.300 0.269 0.000 1.055 74 I CB 2.145 40.245 38.000 0.167 0.000 1.243 74 I HN 0.807 nan 8.210 nan 0.000 0.425 75 W N 8.586 129.962 121.300 0.126 0.000 2.475 75 W HA 0.752 5.412 4.660 -0.000 0.000 0.320 75 W C -1.431 175.106 176.519 0.030 0.000 1.022 75 W CA -1.878 55.537 57.345 0.117 0.000 1.240 75 W CB 0.809 30.387 29.460 0.197 0.000 1.328 75 W HN 0.663 nan 8.180 nan 0.000 0.439 76 I N 2.512 123.264 120.570 0.304 0.000 2.863 76 I HA 0.662 4.832 4.170 -0.000 0.000 0.311 76 I C 0.413 176.526 176.117 -0.007 0.000 1.026 76 I CA -0.980 60.336 61.300 0.028 0.000 1.077 76 I CB 1.608 39.635 38.000 0.044 0.000 1.262 76 I HN 0.216 nan 8.210 nan 0.000 0.461 77 S N 1.780 117.320 115.700 -0.267 0.000 2.566 77 S HA -0.033 4.437 4.470 -0.000 0.000 0.280 77 S C 0.031 174.535 174.600 -0.161 0.000 1.343 77 S CA -0.335 57.630 58.200 -0.391 0.000 1.036 77 S CB 0.281 63.103 63.200 -0.630 0.000 0.866 77 S HN 0.703 nan 8.310 nan 0.000 0.526 78 Q N 2.877 122.545 119.800 -0.220 0.000 2.269 78 Q HA -0.025 4.315 4.340 -0.000 0.000 0.300 78 Q C -1.392 174.631 176.000 0.039 0.000 1.070 78 Q CA -1.052 54.682 55.803 -0.116 0.000 0.957 78 Q CB 0.573 29.196 28.738 -0.192 0.000 1.131 78 Q HN 0.371 nan 8.270 nan 0.000 0.377 79 P HA -0.058 nan 4.420 nan 0.000 0.231 79 P C 0.457 177.866 177.300 0.183 0.000 1.168 79 P CA 0.394 63.663 63.100 0.280 0.000 0.779 79 P CB -0.111 31.527 31.700 -0.103 0.000 0.844 80 V N -1.081 118.800 119.914 -0.055 0.000 3.139 80 V HA 0.124 4.244 4.120 -0.000 0.000 0.307 80 V C 0.526 176.597 176.094 -0.037 0.000 1.095 80 V CA -0.847 61.480 62.300 0.046 0.000 1.160 80 V CB -0.216 31.538 31.823 -0.115 0.000 1.003 80 V HN 0.029 nan 8.190 nan 0.000 0.489 81 E N 3.096 123.290 120.200 -0.009 0.000 2.417 81 E HA 0.082 4.432 4.350 -0.000 0.000 0.261 81 E C 0.005 176.475 176.600 -0.218 0.000 1.000 81 E CA 0.102 56.435 56.400 -0.111 0.000 0.919 81 E CB 0.195 29.874 29.700 -0.035 0.000 0.955 81 E HN 0.894 nan 8.360 nan 0.000 0.455 82 N N 3.107 121.617 118.700 -0.317 0.000 2.502 82 N HA 0.312 5.052 4.740 -0.000 0.000 0.280 82 N C 0.198 175.455 175.510 -0.420 0.000 1.223 82 N CA -0.789 52.101 53.050 -0.268 0.000 0.966 82 N CB 0.901 39.257 38.487 -0.218 0.000 1.203 82 N HN 0.470 nan 8.380 nan 0.000 0.565 83 I N -1.416 119.040 120.570 -0.191 0.000 3.060 83 I HA 0.022 4.192 4.170 -0.000 0.000 0.285 83 I C -0.157 175.768 176.117 -0.320 0.000 1.190 83 I CA -0.035 61.144 61.300 -0.201 0.000 1.363 83 I CB 0.256 38.253 38.000 -0.005 0.000 1.396 83 I HN 0.609 nan 8.210 nan 0.000 0.607 84 Y N 1.428 121.747 120.300 0.031 0.000 2.458 84 Y HA 0.230 4.780 4.550 -0.000 0.000 0.256 84 Y C 1.376 177.303 175.900 0.044 0.000 1.159 84 Y CA -0.292 57.821 58.100 0.022 0.000 1.261 84 Y CB -0.147 38.289 38.460 -0.039 0.000 1.119 84 Y HN 0.538 nan 8.280 nan 0.000 0.524 85 S N 1.300 117.080 115.700 0.132 0.000 2.566 85 S HA 0.121 4.591 4.470 -0.000 0.000 0.280 85 S C 0.038 174.698 174.600 0.100 0.000 1.343 85 S CA 0.067 58.298 58.200 0.052 0.000 1.036 85 S CB 0.399 63.543 63.200 -0.094 0.000 0.866 85 S HN 0.156 nan 8.310 nan 0.000 0.526 86 I N 2.858 123.462 120.570 0.056 0.000 2.428 86 I HA 0.292 4.462 4.170 -0.000 0.000 0.279 86 I C -0.497 175.623 176.117 0.006 0.000 1.040 86 I CA -0.224 61.130 61.300 0.091 0.000 1.171 86 I CB 0.407 38.460 38.000 0.089 0.000 1.312 86 I HN 0.461 nan 8.210 nan 0.000 0.470 87 I N 5.495 126.057 120.570 -0.013 0.000 2.471 87 I HA 0.081 4.251 4.170 -0.000 0.000 0.286 87 I C 0.664 176.676 176.117 -0.175 0.000 1.079 87 I CA -0.042 61.131 61.300 -0.212 0.000 1.398 87 I CB 0.405 38.145 38.000 -0.433 0.000 1.403 87 I HN 0.556 nan 8.210 nan 0.000 0.530 88 N N 7.019 125.620 118.700 -0.166 0.000 2.462 88 N HA 0.115 4.855 4.740 -0.000 0.000 0.242 88 N C -1.514 173.939 175.510 -0.096 0.000 1.010 88 N CA -0.296 52.716 53.050 -0.063 0.000 0.939 88 N CB 0.546 39.031 38.487 -0.003 0.000 1.127 88 N HN 0.342 nan 8.380 nan 0.000 0.509 89 Y N 2.109 122.482 120.300 0.122 0.000 2.595 89 Y HA 0.163 4.713 4.550 -0.000 0.000 0.336 89 Y C 0.686 176.622 175.900 0.060 0.000 0.996 89 Y CA -0.605 57.552 58.100 0.095 0.000 1.260 89 Y CB 0.489 39.012 38.460 0.106 0.000 1.108 89 Y HN 0.495 nan 8.280 nan 0.000 0.509 90 S N 2.360 118.171 115.700 0.185 0.000 3.711 90 S HA -0.160 4.310 4.470 -0.000 0.000 0.374 90 S C 1.306 175.960 174.600 0.089 0.000 0.969 90 S CA 0.996 59.262 58.200 0.110 0.000 1.198 90 S CB -1.478 61.779 63.200 0.096 0.000 0.903 90 S HN 1.502 nan 8.310 nan 0.000 0.493 91 G N -1.901 106.945 108.800 0.078 0.000 2.179 91 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.260 91 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.260 91 G C 0.064 175.006 174.900 0.070 0.000 0.977 91 G CA 0.039 45.176 45.100 0.061 0.000 0.641 91 G HN 1.406 nan 8.290 nan 0.000 0.533 92 V N 1.677 121.651 119.914 0.101 0.000 2.384 92 V HA 0.474 4.594 4.120 -0.000 0.000 0.287 92 V C 0.013 176.187 176.094 0.133 0.000 1.020 92 V CA -1.471 60.895 62.300 0.111 0.000 0.850 92 V CB 1.605 33.504 31.823 0.125 0.000 0.987 92 V HN 0.281 nan 8.190 nan 0.000 0.436 93 N N 4.007 122.770 118.700 0.106 0.000 2.508 93 N HA 0.325 5.065 4.740 -0.000 0.000 0.264 93 N C -0.525 175.088 175.510 0.172 0.000 1.216 93 N CA 0.071 53.188 53.050 0.113 0.000 0.943 93 N CB 0.673 39.213 38.487 0.088 0.000 1.113 93 N HN 0.665 nan 8.380 nan 0.000 0.447 94 N N -0.184 118.651 118.700 0.224 0.000 2.260 94 N HA 0.349 5.089 4.740 -0.000 0.000 0.293 94 N C -0.524 175.202 175.510 0.360 0.000 1.058 94 N CA -0.368 52.887 53.050 0.341 0.000 0.824 94 N CB 2.240 41.071 38.487 0.574 0.000 1.551 94 N HN 0.553 nan 8.380 nan 0.000 0.475 95 T N -2.621 112.102 114.554 0.283 0.000 2.807 95 T HA 0.665 5.014 4.350 -0.000 0.000 0.277 95 T C 0.451 175.036 174.700 -0.192 0.000 1.006 95 T CA -0.703 61.527 62.100 0.216 0.000 1.006 95 T CB 1.501 70.512 68.868 0.238 0.000 1.274 95 T HN 0.328 nan 8.240 nan 0.000 0.569 96 A N 0.125 122.762 122.820 -0.306 0.000 2.476 96 A HA 0.307 4.627 4.320 -0.000 0.000 0.263 96 A C 1.317 178.183 177.584 -1.196 0.000 1.342 96 A CA -0.287 51.202 52.037 -0.912 0.000 0.926 96 A CB -1.553 17.276 19.000 -0.285 0.000 1.019 96 A HN 0.927 nan 8.150 nan 0.000 0.515 97 Y N 0.158 119.647 120.300 -1.352 0.000 2.298 97 Y HA -0.343 4.207 4.550 -0.000 0.000 0.287 97 Y C 1.793 177.350 175.900 -0.570 0.000 1.164 97 Y CA 1.847 59.207 58.100 -1.233 0.000 1.229 97 Y CB -1.246 36.722 38.460 -0.820 0.000 0.977 97 Y HN 0.652 nan 8.280 nan 0.000 0.538 98 H N -1.435 116.856 119.070 -1.298 0.000 2.529 98 H HA 0.325 4.881 4.556 -0.000 0.000 0.277 98 H C 1.996 176.830 175.328 -0.822 0.000 0.999 98 H CA 0.025 55.471 56.048 -1.002 0.000 1.256 98 H CB -0.648 28.660 29.762 -0.757 0.000 1.402 98 H HN 0.418 nan 8.280 nan 0.000 0.566 99 G N -0.161 108.252 108.800 -0.645 0.000 2.162 99 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.260 99 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.260 99 G C 0.314 175.035 174.900 -0.297 0.000 0.976 99 G CA 0.583 45.447 45.100 -0.394 0.000 0.655 99 G HN 0.528 nan 8.290 nan 0.000 0.533 100 Y N -1.286 119.091 120.300 0.128 0.000 2.490 100 Y HA 0.344 4.894 4.550 -0.000 0.000 0.281 100 Y C 0.858 176.994 175.900 0.393 0.000 1.174 100 Y CA -0.482 57.725 58.100 0.178 0.000 1.295 100 Y CB 0.308 38.834 38.460 0.110 0.000 1.062 100 Y HN 0.400 nan 8.280 nan 0.000 0.522 101 W N 1.395 122.846 121.300 0.252 0.000 2.101 101 W HA 0.681 5.341 4.660 -0.000 0.000 0.301 101 W C 0.137 176.633 176.519 -0.037 0.000 0.846 101 W CA -2.098 55.341 57.345 0.158 0.000 1.823 101 W CB -0.611 28.932 29.460 0.139 0.000 2.007 101 W HN -0.159 nan 8.180 nan 0.000 0.373 102 A N 2.527 125.384 122.820 0.061 0.000 2.425 102 A HA 0.476 4.796 4.320 -0.000 0.000 0.242 102 A C 1.402 178.932 177.584 -0.090 0.000 1.077 102 A CA 0.155 52.040 52.037 -0.254 0.000 0.781 102 A CB 0.617 19.068 19.000 -0.914 0.000 1.020 102 A HN 0.665 nan 8.150 nan 0.000 0.494 103 R N -0.288 120.153 120.500 -0.099 0.000 2.561 103 R HA 0.232 4.572 4.340 -0.000 0.000 0.213 103 R C -0.978 175.459 176.300 0.228 0.000 0.885 103 R CA 0.247 56.418 56.100 0.118 0.000 1.002 103 R CB 0.686 31.041 30.300 0.092 0.000 1.432 103 R HN 0.536 nan 8.270 nan 0.000 0.651 104 D N 0.053 120.513 120.400 0.100 0.000 2.478 104 D HA 0.197 4.837 4.640 -0.000 0.000 0.240 104 D C -0.570 175.875 176.300 0.242 0.000 1.364 104 D CA -0.617 53.556 54.000 0.288 0.000 0.987 104 D CB 1.093 42.039 40.800 0.243 0.000 1.328 104 D HN 0.006 nan 8.370 nan 0.000 0.584 105 F N 1.804 122.007 119.950 0.422 0.000 2.699 105 F HA 0.125 4.652 4.527 -0.000 0.000 0.298 105 F C 2.048 178.130 175.800 0.471 0.000 1.154 105 F CA 0.607 58.840 58.000 0.388 0.000 1.457 105 F CB 0.264 39.443 39.000 0.297 0.000 1.106 105 F HN 0.133 nan 8.300 nan 0.000 0.585 106 K N -0.209 120.478 120.400 0.479 0.000 2.372 106 K HA 0.156 4.476 4.320 -0.000 0.000 0.200 106 K C 0.221 176.931 176.600 0.183 0.000 1.022 106 K CA 0.161 56.609 56.287 0.269 0.000 1.125 106 K CB 0.472 33.087 32.500 0.192 0.000 0.855 106 K HN 0.123 nan 8.250 nan 0.000 0.524 107 K N 0.626 121.191 120.400 0.274 0.000 2.400 107 K HA 0.241 4.561 4.320 -0.000 0.000 0.246 107 K C -0.159 176.632 176.600 0.319 0.000 0.995 107 K CA -0.661 55.753 56.287 0.210 0.000 0.840 107 K CB 2.014 34.606 32.500 0.153 0.000 1.293 107 K HN -0.035 nan 8.250 nan 0.000 0.445 108 T N -1.746 112.983 114.554 0.291 0.000 2.912 108 T HA 0.217 4.567 4.350 -0.000 0.000 0.280 108 T C 0.095 174.886 174.700 0.152 0.000 0.989 108 T CA -0.826 61.502 62.100 0.381 0.000 0.995 108 T CB 0.880 70.060 68.868 0.520 0.000 1.077 108 T HN 0.434 nan 8.240 nan 0.000 0.531 109 N N 2.271 120.995 118.700 0.041 0.000 2.437 109 N HA 0.212 4.952 4.740 -0.000 0.000 0.243 109 N C -1.397 173.946 175.510 -0.279 0.000 1.041 109 N CA -2.392 50.512 53.050 -0.242 0.000 0.940 109 N CB 1.192 39.322 38.487 -0.596 0.000 1.133 109 N HN 0.390 nan 8.380 nan 0.000 0.506 110 P HA -0.183 nan 4.420 nan 0.000 0.218 110 P C 0.861 178.033 177.300 -0.212 0.000 1.146 110 P CA 1.029 64.060 63.100 -0.115 0.000 0.820 110 P CB 0.269 31.951 31.700 -0.030 0.000 0.778 111 A N -0.951 121.667 122.820 -0.336 0.000 1.930 111 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 111 A C 2.076 179.524 177.584 -0.225 0.000 1.175 111 A CA 1.212 53.044 52.037 -0.342 0.000 0.627 111 A CB -1.489 17.201 19.000 -0.517 0.000 0.815 111 A HN 0.093 nan 8.150 nan 0.000 0.443 112 Y N -0.786 119.229 120.300 -0.476 0.000 2.314 112 Y HA 0.377 4.927 4.550 -0.000 0.000 0.294 112 Y C 1.593 176.926 175.900 -0.945 0.000 1.119 112 Y CA 0.131 57.672 58.100 -0.930 0.000 1.179 112 Y CB -0.706 36.765 38.460 -1.648 0.000 1.025 112 Y HN 0.453 nan 8.280 nan 0.000 0.541 113 G N -1.131 107.349 108.800 -0.533 0.000 2.341 113 G HA2 0.314 4.274 3.960 -0.000 0.000 0.293 113 G HA3 0.314 4.274 3.960 -0.000 0.000 0.293 113 G C -0.686 174.320 174.900 0.177 0.000 1.298 113 G CA -0.513 44.558 45.100 -0.048 0.000 0.868 113 G HN 0.192 nan 8.290 nan 0.000 0.540 114 T N -1.519 113.226 114.554 0.319 0.000 2.884 114 T HA 0.580 4.930 4.350 -0.000 0.000 0.277 114 T C 1.645 176.608 174.700 0.439 0.000 0.976 114 T CA -0.354 61.925 62.100 0.299 0.000 0.956 114 T CB 0.885 69.864 68.868 0.185 0.000 1.113 114 T HN 0.429 nan 8.240 nan 0.000 0.554 115 I N 0.832 121.575 120.570 0.289 0.000 2.163 115 I HA -0.154 4.016 4.170 -0.000 0.000 0.243 115 I C 3.050 179.320 176.117 0.254 0.000 1.085 115 I CA 1.977 63.421 61.300 0.241 0.000 1.347 115 I CB -2.033 36.028 38.000 0.101 0.000 1.044 115 I HN 0.885 nan 8.210 nan 0.000 0.408 116 A N 0.558 123.495 122.820 0.195 0.000 1.908 116 A HA -0.230 4.090 4.320 -0.000 0.000 0.218 116 A C 2.003 179.701 177.584 0.189 0.000 1.181 116 A CA 1.986 54.117 52.037 0.155 0.000 0.627 116 A CB -0.597 18.472 19.000 0.115 0.000 0.818 116 A HN 0.391 nan 8.150 nan 0.000 0.445 117 D N -1.099 119.471 120.400 0.283 0.000 2.097 117 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 117 D C 1.646 178.119 176.300 0.288 0.000 0.989 117 D CA 1.277 55.479 54.000 0.338 0.000 0.827 117 D CB -0.499 40.612 40.800 0.520 0.000 0.966 117 D HN 0.456 nan 8.370 nan 0.000 0.456 118 F N 1.714 121.753 119.950 0.148 0.000 2.126 118 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 118 F C 2.466 178.181 175.800 -0.143 0.000 1.096 118 F CA 1.522 59.368 58.000 -0.256 0.000 1.255 118 F CB -0.114 38.732 39.000 -0.258 0.000 0.997 118 F HN -0.062 nan 8.300 nan 0.000 0.479 119 Q N -0.224 119.627 119.800 0.086 0.000 2.084 119 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 119 Q C 1.908 177.853 176.000 -0.091 0.000 0.978 119 Q CA 1.535 57.337 55.803 -0.003 0.000 0.844 119 Q CB -0.294 28.482 28.738 0.063 0.000 0.898 119 Q HN 0.435 nan 8.270 nan 0.000 0.426 120 N N 0.629 119.304 118.700 -0.041 0.000 2.244 120 N HA -0.130 4.610 4.740 -0.000 0.000 0.183 120 N C 1.737 177.178 175.510 -0.115 0.000 1.016 120 N CA 0.677 53.700 53.050 -0.044 0.000 0.866 120 N CB -0.184 38.316 38.487 0.021 0.000 0.980 120 N HN 0.155 nan 8.380 nan 0.000 0.430 121 L N 1.322 122.427 121.223 -0.196 0.000 2.056 121 L HA -0.021 4.318 4.340 -0.000 0.000 0.207 121 L C 1.868 178.508 176.870 -0.384 0.000 1.078 121 L CA 1.319 55.989 54.840 -0.283 0.000 0.749 121 L CB -0.572 41.210 42.059 -0.462 0.000 0.901 121 L HN -0.010 nan 8.230 nan 0.000 0.433 122 I N 0.213 120.467 120.570 -0.527 0.000 2.226 122 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 122 I C 2.661 178.448 176.117 -0.550 0.000 1.100 122 I CA 1.479 62.407 61.300 -0.620 0.000 1.374 122 I CB -1.834 35.843 38.000 -0.540 0.000 1.057 122 I HN 0.387 nan 8.210 nan 0.000 0.413 123 A N 0.800 123.447 122.820 -0.290 0.000 1.873 123 A HA -0.077 4.242 4.320 -0.000 0.000 0.215 123 A C 2.586 180.117 177.584 -0.090 0.000 1.186 123 A CA 1.909 53.860 52.037 -0.143 0.000 0.616 123 A CB -0.791 18.165 19.000 -0.073 0.000 0.823 123 A HN 0.403 nan 8.150 nan 0.000 0.442 124 A N -0.064 122.699 122.820 -0.096 0.000 1.877 124 A HA 0.156 4.476 4.320 -0.000 0.000 0.216 124 A C 2.534 180.095 177.584 -0.038 0.000 1.186 124 A CA 2.219 54.227 52.037 -0.050 0.000 0.620 124 A CB -1.128 17.849 19.000 -0.040 0.000 0.822 124 A HN 1.050 nan 8.150 nan 0.000 0.443 125 A N -0.589 122.183 122.820 -0.081 0.000 1.865 125 A HA -0.231 4.089 4.320 -0.000 0.000 0.217 125 A C 1.966 179.598 177.584 0.079 0.000 1.191 125 A CA 1.762 53.784 52.037 -0.025 0.000 0.623 125 A CB -1.205 17.752 19.000 -0.072 0.000 0.826 125 A HN 0.764 nan 8.150 nan 0.000 0.444 126 H N -0.918 118.122 119.070 -0.049 0.000 2.421 126 H HA -0.017 4.539 4.556 -0.000 0.000 0.298 126 H C 2.398 177.702 175.328 -0.040 0.000 1.087 126 H CA 0.540 56.562 56.048 -0.044 0.000 1.330 126 H CB 0.003 29.741 29.762 -0.041 0.000 1.388 126 H HN 0.576 nan 8.280 nan 0.000 0.526 127 A N 0.954 123.827 122.820 0.088 0.000 2.070 127 A HA -0.109 4.211 4.320 -0.000 0.000 0.220 127 A C 1.714 179.307 177.584 0.016 0.000 1.159 127 A CA 1.145 53.204 52.037 0.036 0.000 0.656 127 A CB 0.076 19.086 19.000 0.017 0.000 0.800 127 A HN 0.142 nan 8.150 nan 0.000 0.453 128 K N 0.109 120.520 120.400 0.018 0.000 2.440 128 K HA 0.111 4.431 4.320 -0.000 0.000 0.206 128 K C -0.358 176.235 176.600 -0.011 0.000 1.025 128 K CA -0.289 55.998 56.287 -0.000 0.000 1.135 128 K CB 0.011 32.510 32.500 -0.002 0.000 0.856 128 K HN 0.480 nan 8.250 nan 0.000 0.502 129 N N 1.053 119.748 118.700 -0.008 0.000 2.740 129 N HA -0.212 4.528 4.740 -0.000 0.000 0.248 129 N C -0.669 174.815 175.510 -0.043 0.000 1.062 129 N CA 0.775 53.799 53.050 -0.044 0.000 0.704 129 N CB -1.379 37.069 38.487 -0.066 0.000 0.968 129 N HN 0.344 nan 8.380 nan 0.000 0.547 130 I N 0.739 121.318 120.570 0.013 0.000 2.389 130 I HA 0.191 4.361 4.170 -0.000 0.000 0.288 130 I C 0.585 176.766 176.117 0.107 0.000 0.999 130 I CA -0.633 60.684 61.300 0.029 0.000 1.129 130 I CB 1.489 39.509 38.000 0.033 0.000 1.288 130 I HN -0.184 nan 8.210 nan 0.000 0.444 131 K N 4.572 125.010 120.400 0.063 0.000 2.168 131 K HA 0.533 4.853 4.320 -0.000 0.000 0.258 131 K C -0.857 175.895 176.600 0.254 0.000 1.010 131 K CA -0.535 55.844 56.287 0.153 0.000 0.929 131 K CB 1.494 34.008 32.500 0.022 0.000 0.998 131 K HN 0.265 nan 8.250 nan 0.000 0.479 132 V N 3.759 123.851 119.914 0.297 0.000 2.444 132 V HA 0.366 4.486 4.120 -0.000 0.000 0.294 132 V C -0.344 175.909 176.094 0.265 0.000 1.022 132 V CA -0.739 61.688 62.300 0.211 0.000 0.850 132 V CB 1.177 33.015 31.823 0.025 0.000 0.992 132 V HN 0.584 nan 8.190 nan 0.000 0.426 133 I N 6.037 126.772 120.570 0.275 0.000 2.412 133 I HA 0.585 4.755 4.170 -0.000 0.000 0.296 133 I C -0.226 176.018 176.117 0.210 0.000 0.987 133 I CA -0.652 60.785 61.300 0.227 0.000 1.180 133 I CB 1.847 39.989 38.000 0.236 0.000 1.340 133 I HN 0.625 nan 8.210 nan 0.000 0.455 134 I N 1.163 121.807 120.570 0.123 0.000 2.603 134 I HA 0.551 4.721 4.170 -0.000 0.000 0.300 134 I C -0.602 175.544 176.117 0.047 0.000 1.017 134 I CA -0.716 60.653 61.300 0.114 0.000 1.098 134 I CB 1.899 39.923 38.000 0.039 0.000 1.279 134 I HN 0.379 nan 8.210 nan 0.000 0.437 135 D N 3.807 124.278 120.400 0.118 0.000 2.345 135 D HA 0.323 4.963 4.640 -0.000 0.000 0.247 135 D C -1.645 174.745 176.300 0.150 0.000 1.108 135 D CA 0.350 54.423 54.000 0.122 0.000 0.894 135 D CB 1.373 42.283 40.800 0.184 0.000 1.203 135 D HN 0.470 nan 8.370 nan 0.000 0.430 136 F N 1.703 121.647 119.950 -0.011 0.000 2.585 136 F HA 0.468 4.995 4.527 -0.000 0.000 0.319 136 F C -0.886 174.983 175.800 0.116 0.000 1.165 136 F CA -0.897 57.126 58.000 0.037 0.000 0.949 136 F CB 1.670 40.686 39.000 0.027 0.000 1.218 136 F HN 0.284 nan 8.300 nan 0.000 0.453 137 A N 7.985 130.712 122.820 -0.155 0.000 2.923 137 A HA 0.476 4.796 4.320 -0.000 0.000 0.343 137 A C -2.261 175.223 177.584 -0.167 0.000 1.199 137 A CA -1.163 50.839 52.037 -0.059 0.000 0.878 137 A CB -0.257 18.794 19.000 0.085 0.000 1.104 137 A HN 0.486 nan 8.150 nan 0.000 0.483 138 P HA -0.067 nan 4.420 nan 0.000 0.245 138 P C 0.732 177.998 177.300 -0.057 0.000 1.212 138 P CA 0.548 63.457 63.100 -0.318 0.000 0.774 138 P CB 0.187 31.731 31.700 -0.260 0.000 0.999 139 N N 0.799 119.494 118.700 -0.009 0.000 2.216 139 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 139 N C 0.846 176.444 175.510 0.148 0.000 1.017 139 N CA 0.842 53.980 53.050 0.146 0.000 0.861 139 N CB -0.062 38.591 38.487 0.275 0.000 0.986 139 N HN 0.289 nan 8.380 nan 0.000 0.428 140 H N -4.585 114.567 119.070 0.135 0.000 2.960 140 H HA 0.289 4.845 4.556 -0.000 0.000 0.323 140 H C 0.071 175.571 175.328 0.287 0.000 1.326 140 H CA -0.084 56.063 56.048 0.165 0.000 1.124 140 H CB 0.714 30.549 29.762 0.122 0.000 1.853 140 H HN 0.048 nan 8.280 nan 0.000 0.536 141 T N -0.851 113.932 114.554 0.382 0.000 3.608 141 T HA 0.339 4.689 4.350 -0.000 0.000 0.213 141 T C 0.671 175.562 174.700 0.319 0.000 0.897 141 T CA 0.928 63.228 62.100 0.333 0.000 1.533 141 T CB -0.560 68.534 68.868 0.377 0.000 1.504 141 T HN 0.865 nan 8.240 nan 0.000 0.446 142 S N 0.516 116.315 115.700 0.165 0.000 2.688 142 S HA 0.643 5.113 4.470 -0.000 0.000 0.275 142 S C -3.357 171.091 174.600 -0.253 0.000 1.175 142 S CA -1.564 56.609 58.200 -0.045 0.000 0.818 142 S CB 0.936 64.093 63.200 -0.072 0.000 1.157 142 S HN 0.232 nan 8.310 nan 0.000 0.482 143 P HA 0.453 nan 4.420 nan 0.000 0.264 143 P C -0.971 176.255 177.300 -0.123 0.000 1.193 143 P CA 0.439 63.363 63.100 -0.293 0.000 0.763 143 P CB 0.386 31.835 31.700 -0.418 0.000 0.810 144 A N 2.425 125.256 122.820 0.017 0.000 2.587 144 A HA 0.717 5.037 4.320 -0.000 0.000 0.293 144 A C -1.022 176.583 177.584 0.036 0.000 1.087 144 A CA -0.478 51.584 52.037 0.041 0.000 0.692 144 A CB 1.603 20.425 19.000 -0.296 0.000 1.291 144 A HN 0.322 nan 8.150 nan 0.000 0.407 145 S N -0.048 115.727 115.700 0.125 0.000 2.707 145 S HA 0.465 4.935 4.470 -0.000 0.000 0.303 145 S C 0.948 175.625 174.600 0.129 0.000 1.132 145 S CA 0.259 58.463 58.200 0.007 0.000 1.046 145 S CB 1.497 64.625 63.200 -0.120 0.000 1.004 145 S HN 1.290 nan 8.310 nan 0.000 0.483 146 S N 2.728 118.554 115.700 0.211 0.000 2.353 146 S HA -0.134 4.336 4.470 -0.000 0.000 0.222 146 S C 0.877 175.523 174.600 0.078 0.000 1.035 146 S CA 1.932 60.272 58.200 0.234 0.000 1.025 146 S CB -0.370 62.960 63.200 0.217 0.000 0.902 146 S HN 0.906 nan 8.310 nan 0.000 0.440 147 D N 0.879 121.301 120.400 0.038 0.000 3.110 147 D HA 0.200 4.840 4.640 -0.000 0.000 0.254 147 D C -0.093 176.209 176.300 0.003 0.000 1.283 147 D CA -0.061 53.942 54.000 0.005 0.000 0.944 147 D CB 0.002 40.795 40.800 -0.012 0.000 1.066 147 D HN 0.482 nan 8.370 nan 0.000 0.496 148 Q N 0.757 120.572 119.800 0.026 0.000 4.085 148 Q HA 0.010 4.350 4.340 -0.000 0.000 0.116 148 Q C -2.428 173.623 176.000 0.084 0.000 0.725 148 Q CA -0.438 55.387 55.803 0.037 0.000 0.890 148 Q CB 0.799 29.542 28.738 0.007 0.000 1.522 148 Q HN 0.020 nan 8.270 nan 0.000 0.430 149 P HA -0.171 nan 4.420 nan 0.000 0.226 149 P C 0.936 178.276 177.300 0.067 0.000 1.146 149 P CA 1.528 64.669 63.100 0.068 0.000 0.773 149 P CB 0.236 31.959 31.700 0.038 0.000 0.772 150 S N -1.646 114.098 115.700 0.074 0.000 2.527 150 S HA -0.035 4.435 4.470 -0.000 0.000 0.222 150 S C 0.600 175.244 174.600 0.073 0.000 0.985 150 S CA -0.546 57.689 58.200 0.057 0.000 0.921 150 S CB -1.180 62.048 63.200 0.048 0.000 0.772 150 S HN 0.016 nan 8.310 nan 0.000 0.529 151 F N 4.049 123.974 119.950 -0.042 0.000 2.543 151 F HA 0.489 5.016 4.527 -0.000 0.000 0.375 151 F C 0.980 176.730 175.800 -0.083 0.000 1.075 151 F CA -0.272 57.686 58.000 -0.070 0.000 1.225 151 F CB -0.296 38.656 39.000 -0.080 0.000 1.099 151 F HN 0.542 nan 8.300 nan 0.000 0.561 152 A N 4.850 127.180 122.820 -0.816 0.000 5.684 152 A HA -0.347 3.973 4.320 -0.000 0.000 0.306 152 A C 0.959 178.363 177.584 -0.299 0.000 1.885 152 A CA 1.404 53.032 52.037 -0.682 0.000 0.721 152 A CB -1.423 16.951 19.000 -1.042 0.000 1.295 152 A HN 0.826 nan 8.150 nan 0.000 0.386 153 E N 1.107 121.174 120.200 -0.222 0.000 2.411 153 E HA 0.231 4.581 4.350 -0.000 0.000 0.204 153 E C 0.516 177.094 176.600 -0.037 0.000 1.059 153 E CA 0.384 56.747 56.400 -0.060 0.000 1.112 153 E CB -0.349 29.365 29.700 0.023 0.000 1.168 153 E HN 0.643 nan 8.360 nan 0.000 0.445 154 N N 0.605 119.263 118.700 -0.072 0.000 2.678 154 N HA -0.261 4.479 4.740 -0.000 0.000 0.249 154 N C 0.672 176.136 175.510 -0.077 0.000 1.119 154 N CA 0.288 53.324 53.050 -0.023 0.000 0.718 154 N CB -0.672 37.826 38.487 0.018 0.000 1.060 154 N HN 0.567 nan 8.380 nan 0.000 0.552 155 G N 0.152 108.886 108.800 -0.110 0.000 2.258 155 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.274 155 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.274 155 G C 0.166 175.068 174.900 0.004 0.000 1.021 155 G CA 0.748 45.778 45.100 -0.117 0.000 0.798 155 G HN 0.620 nan 8.290 nan 0.000 0.507 156 R N -1.103 119.437 120.500 0.066 0.000 2.623 156 R HA 0.386 4.725 4.340 -0.000 0.000 0.271 156 R C 0.159 176.565 176.300 0.178 0.000 1.043 156 R CA -0.282 55.879 56.100 0.101 0.000 1.083 156 R CB 0.531 30.856 30.300 0.042 0.000 0.974 156 R HN 0.269 nan 8.270 nan 0.000 0.436 157 L N 3.873 125.151 121.223 0.091 0.000 2.322 157 L HA 0.387 4.727 4.340 -0.000 0.000 0.281 157 L C -1.558 175.231 176.870 -0.136 0.000 1.014 157 L CA -0.433 54.463 54.840 0.093 0.000 0.815 157 L CB 1.085 43.169 42.059 0.042 0.000 1.247 157 L HN 0.401 nan 8.230 nan 0.000 0.421 158 Y N 2.089 122.427 120.300 0.063 0.000 2.468 158 Y HA 0.458 5.008 4.550 -0.000 0.000 0.342 158 Y C -0.429 175.526 175.900 0.090 0.000 1.021 158 Y CA -0.822 57.313 58.100 0.058 0.000 1.079 158 Y CB 1.658 40.178 38.460 0.101 0.000 1.226 158 Y HN 0.558 nan 8.280 nan 0.000 0.460 159 D N 2.465 123.003 120.400 0.230 0.000 2.477 159 D HA 0.122 4.762 4.640 -0.000 0.000 0.239 159 D C -0.289 176.196 176.300 0.308 0.000 1.102 159 D CA -0.358 53.844 54.000 0.336 0.000 0.901 159 D CB -0.164 40.755 40.800 0.198 0.000 1.026 159 D HN 0.587 nan 8.370 nan 0.000 0.515 160 N N 3.481 122.375 118.700 0.322 0.000 2.705 160 N HA -0.250 4.490 4.740 -0.000 0.000 0.255 160 N C 0.993 176.608 175.510 0.174 0.000 1.008 160 N CA 1.964 55.141 53.050 0.211 0.000 0.742 160 N CB -1.025 37.559 38.487 0.162 0.000 0.906 160 N HN 0.808 nan 8.380 nan 0.000 0.541 161 G N -2.188 106.732 108.800 0.200 0.000 2.399 161 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.216 161 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.216 161 G C 0.290 175.360 174.900 0.283 0.000 1.096 161 G CA 0.251 45.453 45.100 0.171 0.000 0.650 161 G HN 0.727 nan 8.290 nan 0.000 0.512 162 T N 2.772 117.466 114.554 0.233 0.000 2.814 162 T HA 0.496 4.846 4.350 -0.000 0.000 0.297 162 T C 0.227 175.018 174.700 0.151 0.000 0.956 162 T CA -0.034 62.174 62.100 0.180 0.000 1.123 162 T CB 1.744 70.676 68.868 0.107 0.000 0.902 162 T HN 0.682 nan 8.240 nan 0.000 0.528 163 L N 5.075 126.332 121.223 0.057 0.000 2.410 163 L HA 0.222 4.562 4.340 -0.000 0.000 0.273 163 L C 0.690 177.444 176.870 -0.193 0.000 1.144 163 L CA 0.354 55.027 54.840 -0.278 0.000 0.863 163 L CB -0.006 41.872 42.059 -0.302 0.000 1.140 163 L HN 0.703 nan 8.230 nan 0.000 0.463 164 L N 4.407 125.481 121.223 -0.249 0.000 2.316 164 L HA 0.476 4.816 4.340 -0.000 0.000 0.207 164 L C 1.003 177.788 176.870 -0.142 0.000 1.070 164 L CA 0.500 55.230 54.840 -0.183 0.000 0.820 164 L CB -0.253 41.654 42.059 -0.252 0.000 0.992 164 L HN 0.855 nan 8.230 nan 0.000 0.466 165 G N -1.265 107.452 108.800 -0.137 0.000 2.328 165 G HA2 0.409 4.369 3.960 -0.000 0.000 0.299 165 G HA3 0.409 4.369 3.960 -0.000 0.000 0.299 165 G C -1.413 173.550 174.900 0.105 0.000 1.435 165 G CA -0.188 44.901 45.100 -0.018 0.000 0.865 165 G HN 0.141 nan 8.290 nan 0.000 0.601 166 G N -1.849 107.034 108.800 0.137 0.000 2.788 166 G HA2 0.522 4.482 3.960 -0.000 0.000 0.293 166 G HA3 0.522 4.482 3.960 -0.000 0.000 0.293 166 G C 0.213 175.148 174.900 0.059 0.000 1.305 166 G CA -0.296 44.867 45.100 0.105 0.000 1.005 166 G HN 0.718 nan 8.290 nan 0.000 0.496 167 Y N 0.110 120.210 120.300 -0.333 0.000 2.314 167 Y HA 0.118 4.668 4.550 -0.000 0.000 0.293 167 Y C 1.805 177.677 175.900 -0.047 0.000 1.129 167 Y CA 1.229 59.106 58.100 -0.372 0.000 1.201 167 Y CB 0.072 38.267 38.460 -0.443 0.000 0.999 167 Y HN 0.299 nan 8.280 nan 0.000 0.541 168 T N 1.778 116.329 114.554 -0.006 0.000 2.869 168 T HA 0.109 4.458 4.350 -0.000 0.000 0.295 168 T C 0.005 174.663 174.700 -0.070 0.000 0.987 168 T CA -0.091 61.979 62.100 -0.050 0.000 1.109 168 T CB 0.147 69.015 68.868 -0.000 0.000 0.932 168 T HN 0.424 nan 8.240 nan 0.000 0.518 169 N N 1.291 119.920 118.700 -0.119 0.000 2.754 169 N HA -0.162 4.578 4.740 -0.000 0.000 0.248 169 N C -0.826 174.636 175.510 -0.081 0.000 1.093 169 N CA 0.126 53.115 53.050 -0.102 0.000 0.699 169 N CB -0.525 37.927 38.487 -0.059 0.000 1.016 169 N HN 0.645 nan 8.380 nan 0.000 0.552 170 D N 0.620 120.956 120.400 -0.106 0.000 2.662 170 D HA 0.044 4.684 4.640 -0.000 0.000 0.228 170 D C 1.582 177.867 176.300 -0.024 0.000 1.093 170 D CA 0.604 54.614 54.000 0.017 0.000 1.075 170 D CB 0.135 41.066 40.800 0.219 0.000 1.122 170 D HN 0.380 nan 8.370 nan 0.000 0.475 171 T N -0.819 113.711 114.554 -0.041 0.000 2.867 171 T HA -0.217 4.133 4.350 -0.000 0.000 0.268 171 T C 1.622 176.304 174.700 -0.029 0.000 1.057 171 T CA 0.930 63.001 62.100 -0.047 0.000 1.136 171 T CB -0.200 68.641 68.868 -0.045 0.000 0.874 171 T HN 0.339 nan 8.240 nan 0.000 0.466 172 Q N 0.804 120.592 119.800 -0.020 0.000 2.369 172 Q HA 0.080 4.420 4.340 -0.000 0.000 0.206 172 Q C 0.441 176.421 176.000 -0.032 0.000 0.963 172 Q CA 0.351 56.135 55.803 -0.032 0.000 0.894 172 Q CB -0.202 28.507 28.738 -0.049 0.000 0.965 172 Q HN 0.584 nan 8.270 nan 0.000 0.475 173 N N -0.647 118.056 118.700 0.004 0.000 2.780 173 N HA -0.164 4.576 4.740 -0.000 0.000 0.247 173 N C 0.040 175.504 175.510 -0.076 0.000 1.076 173 N CA 0.124 53.191 53.050 0.028 0.000 0.688 173 N CB -1.127 37.367 38.487 0.011 0.000 0.957 173 N HN 0.232 nan 8.380 nan 0.000 0.551 174 L N -1.604 119.533 121.223 -0.143 0.000 2.217 174 L HA 0.086 4.426 4.340 -0.000 0.000 0.211 174 L C 0.639 177.088 176.870 -0.703 0.000 1.107 174 L CA 0.909 55.471 54.840 -0.464 0.000 0.783 174 L CB -0.159 41.519 42.059 -0.636 0.000 0.919 174 L HN 0.144 nan 8.230 nan 0.000 0.442 175 F N -2.476 117.366 119.950 -0.181 0.000 2.613 175 F HA 0.383 4.910 4.527 -0.000 0.000 0.342 175 F C 0.445 176.013 175.800 -0.386 0.000 1.066 175 F CA -0.995 56.842 58.000 -0.273 0.000 1.002 175 F CB 0.605 39.556 39.000 -0.082 0.000 1.319 175 F HN -0.235 nan 8.300 nan 0.000 0.495 176 H N -0.197 118.821 119.070 -0.086 0.000 2.487 176 H HA 0.312 4.868 4.556 -0.000 0.000 0.333 176 H C -0.659 174.435 175.328 -0.390 0.000 1.114 176 H CA -0.459 55.490 56.048 -0.164 0.000 1.310 176 H CB 0.752 30.500 29.762 -0.024 0.000 1.462 176 H HN 0.438 nan 8.280 nan 0.000 0.516 177 H N 2.567 121.736 119.070 0.165 0.000 2.535 177 H HA 0.130 4.686 4.556 -0.000 0.000 0.232 177 H C -0.169 175.167 175.328 0.013 0.000 1.405 177 H CA -0.280 55.804 56.048 0.060 0.000 1.224 177 H CB 0.184 29.902 29.762 -0.072 0.000 1.763 177 H HN 0.664 nan 8.280 nan 0.000 0.529 178 N N 0.774 119.510 118.700 0.058 0.000 2.204 178 N HA 0.169 4.909 4.740 -0.000 0.000 0.219 178 N C 1.166 176.659 175.510 -0.028 0.000 1.151 178 N CA 0.636 53.672 53.050 -0.023 0.000 0.867 178 N CB 2.167 40.595 38.487 -0.098 0.000 1.043 178 N HN 0.661 nan 8.380 nan 0.000 0.516 179 G N -0.053 108.753 108.800 0.011 0.000 2.615 179 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.218 179 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.218 179 G C -0.204 174.655 174.900 -0.069 0.000 1.339 179 G CA -0.528 44.559 45.100 -0.021 0.000 0.884 179 G HN 0.409 nan 8.290 nan 0.000 0.559 180 G N -1.085 107.650 108.800 -0.109 0.000 2.400 180 G HA2 0.711 4.671 3.960 -0.000 0.000 0.333 180 G HA3 0.711 4.671 3.960 -0.000 0.000 0.333 180 G C 0.012 174.764 174.900 -0.246 0.000 1.143 180 G CA 0.969 45.961 45.100 -0.180 0.000 0.914 180 G HN 1.260 nan 8.290 nan 0.000 0.480 181 T N -0.704 113.614 114.554 -0.394 0.000 2.904 181 T HA 0.306 4.656 4.350 -0.000 0.000 0.290 181 T C 0.630 174.973 174.700 -0.595 0.000 1.018 181 T CA -0.093 61.701 62.100 -0.511 0.000 1.075 181 T CB 0.963 69.402 68.868 -0.714 0.000 0.986 181 T HN 0.599 nan 8.240 nan 0.000 0.523 182 D N 2.245 122.396 120.400 -0.415 0.000 2.479 182 D HA 0.067 4.707 4.640 -0.000 0.000 0.218 182 D C 0.483 176.779 176.300 -0.007 0.000 1.177 182 D CA -0.385 53.505 54.000 -0.183 0.000 0.830 182 D CB -0.626 40.135 40.800 -0.064 0.000 1.014 182 D HN 0.602 nan 8.370 nan 0.000 0.503 183 F N 0.537 120.430 119.950 -0.095 0.000 3.006 183 F HA -0.324 4.203 4.527 -0.000 0.000 0.289 183 F C 1.938 177.711 175.800 -0.045 0.000 0.772 183 F CA 0.747 58.709 58.000 -0.062 0.000 1.162 183 F CB -2.587 36.374 39.000 -0.064 0.000 1.382 183 F HN 0.160 nan 8.300 nan 0.000 0.406 184 S N -1.375 114.355 115.700 0.050 0.000 2.382 184 S HA 0.023 4.493 4.470 -0.000 0.000 0.228 184 S C 0.972 175.585 174.600 0.022 0.000 1.027 184 S CA 1.256 59.476 58.200 0.034 0.000 0.991 184 S CB -0.162 63.036 63.200 -0.005 0.000 0.823 184 S HN 0.737 nan 8.310 nan 0.000 0.469 185 T N -3.354 111.192 114.554 -0.013 0.000 2.883 185 T HA 0.502 4.852 4.350 -0.000 0.000 0.301 185 T C 0.646 175.309 174.700 -0.062 0.000 1.158 185 T CA -0.244 61.844 62.100 -0.019 0.000 1.007 185 T CB 1.339 70.181 68.868 -0.043 0.000 1.186 185 T HN -0.064 nan 8.240 nan 0.000 0.499 186 T N 0.612 115.139 114.554 -0.045 0.000 2.684 186 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 186 T C 1.610 176.142 174.700 -0.280 0.000 1.036 186 T CA 1.920 63.956 62.100 -0.107 0.000 1.148 186 T CB -0.430 68.474 68.868 0.061 0.000 0.863 186 T HN 0.833 nan 8.240 nan 0.000 0.436 187 E N 1.086 121.036 120.200 -0.416 0.000 2.085 187 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 187 E C 2.339 178.763 176.600 -0.294 0.000 0.994 187 E CA 0.963 56.951 56.400 -0.686 0.000 0.801 187 E CB -0.162 29.033 29.700 -0.842 0.000 0.743 187 E HN 0.354 nan 8.360 nan 0.000 0.453 188 N N 0.147 118.720 118.700 -0.212 0.000 2.166 188 N HA -0.111 4.629 4.740 -0.000 0.000 0.186 188 N C 1.798 177.187 175.510 -0.202 0.000 1.019 188 N CA 1.448 54.399 53.050 -0.166 0.000 0.856 188 N CB -0.228 38.171 38.487 -0.146 0.000 0.993 188 N HN 0.232 nan 8.380 nan 0.000 0.426 189 G N -0.053 108.629 108.800 -0.196 0.000 2.813 189 G HA2 0.053 4.013 3.960 -0.000 0.000 0.209 189 G HA3 0.053 4.013 3.960 -0.000 0.000 0.209 189 G C 1.626 176.499 174.900 -0.045 0.000 1.150 189 G CA -0.031 44.995 45.100 -0.123 0.000 0.785 189 G HN 0.308 nan 8.290 nan 0.000 0.535 190 I N -1.372 119.047 120.570 -0.252 0.000 2.810 190 I HA 0.113 4.283 4.170 -0.000 0.000 0.262 190 I C 1.154 176.977 176.117 -0.490 0.000 1.131 190 I CA 0.428 61.476 61.300 -0.421 0.000 1.453 190 I CB 0.281 37.840 38.000 -0.735 0.000 1.161 190 I HN 0.063 nan 8.210 nan 0.000 0.444 191 Y N 1.548 121.745 120.300 -0.172 0.000 2.532 191 Y HA 0.318 4.868 4.550 -0.000 0.000 0.283 191 Y C 0.285 175.988 175.900 -0.330 0.000 1.181 191 Y CA -0.193 57.697 58.100 -0.350 0.000 1.256 191 Y CB -0.119 38.117 38.460 -0.373 0.000 1.112 191 Y HN -0.077 nan 8.280 nan 0.000 0.521 192 K N 0.269 120.601 120.400 -0.113 0.000 2.443 192 K HA 0.313 4.633 4.320 -0.000 0.000 0.251 192 K C -0.813 175.701 176.600 -0.142 0.000 0.972 192 K CA -1.197 55.018 56.287 -0.119 0.000 0.833 192 K CB 1.405 33.804 32.500 -0.169 0.000 1.317 192 K HN -0.081 nan 8.250 nan 0.000 0.441 193 N N 1.564 120.184 118.700 -0.134 0.000 2.454 193 N HA 0.046 4.786 4.740 -0.000 0.000 0.254 193 N C -0.355 174.948 175.510 -0.346 0.000 1.228 193 N CA 0.172 53.111 53.050 -0.185 0.000 0.900 193 N CB 0.413 38.796 38.487 -0.174 0.000 1.089 193 N HN 0.362 nan 8.380 nan 0.000 0.449 194 L N 4.128 125.111 121.223 -0.400 0.000 2.295 194 L HA 0.121 4.461 4.340 -0.000 0.000 0.288 194 L C 0.094 176.668 176.870 -0.493 0.000 1.079 194 L CA -0.176 54.265 54.840 -0.665 0.000 0.830 194 L CB -0.584 41.096 42.059 -0.631 0.000 1.200 194 L HN 0.550 nan 8.230 nan 0.000 0.438 195 Y N 1.352 121.522 120.300 -0.216 0.000 2.865 195 Y HA -0.417 4.133 4.550 -0.000 0.000 0.468 195 Y C 1.337 177.131 175.900 -0.176 0.000 1.177 195 Y CA 1.164 59.165 58.100 -0.164 0.000 2.596 195 Y CB -1.072 37.302 38.460 -0.143 0.000 1.207 195 Y HN 0.813 nan 8.280 nan 0.000 0.627 196 D N 0.911 121.340 120.400 0.049 0.000 2.440 196 D HA 0.238 4.878 4.640 -0.000 0.000 0.216 196 D C -0.309 175.904 176.300 -0.144 0.000 1.150 196 D CA 0.080 54.039 54.000 -0.069 0.000 0.832 196 D CB -0.542 40.252 40.800 -0.010 0.000 0.992 196 D HN 0.422 nan 8.370 nan 0.000 0.502 197 L N 1.375 122.512 121.223 -0.143 0.000 2.361 197 L HA 0.409 4.749 4.340 -0.000 0.000 0.278 197 L C 0.750 177.497 176.870 -0.204 0.000 1.113 197 L CA -0.889 53.845 54.840 -0.178 0.000 0.849 197 L CB 0.885 42.777 42.059 -0.278 0.000 1.155 197 L HN -0.004 nan 8.230 nan 0.000 0.452 198 A N 2.835 125.501 122.820 -0.256 0.000 2.513 198 A HA -0.021 4.299 4.320 -0.000 0.000 0.274 198 A C 0.039 177.687 177.584 0.108 0.000 1.115 198 A CA -0.155 51.670 52.037 -0.353 0.000 0.792 198 A CB -0.408 18.252 19.000 -0.567 0.000 1.053 198 A HN 0.738 nan 8.150 nan 0.000 0.515 199 D N 2.703 123.167 120.400 0.105 0.000 2.339 199 D HA 0.357 4.997 4.640 -0.000 0.000 0.256 199 D C 0.149 176.494 176.300 0.075 0.000 1.214 199 D CA 0.158 54.237 54.000 0.133 0.000 0.877 199 D CB 0.303 41.172 40.800 0.116 0.000 1.111 199 D HN 0.483 nan 8.370 nan 0.000 0.478 200 L N 3.397 124.556 121.223 -0.108 0.000 2.439 200 L HA 0.145 4.485 4.340 -0.000 0.000 0.269 200 L C 0.694 177.006 176.870 -0.930 0.000 1.179 200 L CA -0.295 54.229 54.840 -0.526 0.000 0.828 200 L CB 0.380 42.079 42.059 -0.599 0.000 1.106 200 L HN 0.427 nan 8.230 nan 0.000 0.467 201 N N 0.549 118.690 118.700 -0.932 0.000 2.589 201 N HA 0.135 4.875 4.740 -0.000 0.000 0.232 201 N C 0.389 175.471 175.510 -0.714 0.000 1.015 201 N CA -0.288 52.240 53.050 -0.871 0.000 0.931 201 N CB 0.413 38.577 38.487 -0.539 0.000 1.150 201 N HN 0.428 nan 8.380 nan 0.000 0.512 202 H N 0.885 119.639 119.070 -0.526 0.000 2.559 202 H HA 0.037 4.593 4.556 -0.000 0.000 0.273 202 H C 1.392 176.529 175.328 -0.318 0.000 1.000 202 H CA 0.545 56.165 56.048 -0.714 0.000 1.195 202 H CB 0.299 29.164 29.762 -1.495 0.000 1.368 202 H HN 0.569 nan 8.280 nan 0.000 0.592 203 N N 0.815 119.482 118.700 -0.056 0.000 2.412 203 N HA -0.110 4.630 4.740 -0.000 0.000 0.184 203 N C 0.101 175.620 175.510 0.015 0.000 1.101 203 N CA -0.036 53.052 53.050 0.063 0.000 0.881 203 N CB 0.176 38.739 38.487 0.127 0.000 0.969 203 N HN 0.253 nan 8.380 nan 0.000 0.459 204 N N 1.213 119.869 118.700 -0.073 0.000 2.411 204 N HA -0.020 4.720 4.740 -0.000 0.000 0.259 204 N C 0.563 176.056 175.510 -0.029 0.000 1.103 204 N CA 0.200 53.207 53.050 -0.073 0.000 0.954 204 N CB 1.498 39.890 38.487 -0.157 0.000 1.085 204 N HN -0.037 nan 8.380 nan 0.000 0.485 205 S N 2.647 118.356 115.700 0.015 0.000 2.387 205 S HA -0.139 4.331 4.470 -0.000 0.000 0.230 205 S C 1.464 176.096 174.600 0.052 0.000 1.035 205 S CA 1.875 60.108 58.200 0.055 0.000 1.014 205 S CB 0.001 63.233 63.200 0.053 0.000 0.836 205 S HN 0.766 nan 8.310 nan 0.000 0.466 206 T N 1.208 115.767 114.554 0.009 0.000 2.746 206 T HA -0.048 4.302 4.350 -0.000 0.000 0.267 206 T C 1.825 176.541 174.700 0.027 0.000 1.039 206 T CA 1.454 63.559 62.100 0.009 0.000 1.142 206 T CB -0.373 68.466 68.868 -0.047 0.000 0.866 206 T HN 0.259 nan 8.240 nan 0.000 0.444 207 V N 1.777 121.658 119.914 -0.054 0.000 2.358 207 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 207 V C 2.367 178.516 176.094 0.092 0.000 1.047 207 V CA 2.023 64.280 62.300 -0.072 0.000 1.035 207 V CB -0.660 30.980 31.823 -0.305 0.000 0.658 207 V HN 0.516 nan 8.190 nan 0.000 0.452 208 D N 0.210 120.683 120.400 0.121 0.000 2.092 208 D HA -0.175 4.465 4.640 -0.000 0.000 0.193 208 D C 1.987 178.495 176.300 0.348 0.000 0.994 208 D CA 1.859 56.065 54.000 0.344 0.000 0.828 208 D CB -0.137 40.876 40.800 0.354 0.000 0.963 208 D HN 0.188 nan 8.370 nan 0.000 0.450 209 V N -0.156 119.898 119.914 0.233 0.000 2.427 209 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 209 V C 2.102 178.317 176.094 0.201 0.000 1.051 209 V CA 1.778 64.191 62.300 0.188 0.000 1.048 209 V CB -0.908 30.996 31.823 0.135 0.000 0.666 209 V HN 0.340 nan 8.190 nan 0.000 0.456 210 Y N 0.752 121.112 120.300 0.099 0.000 2.097 210 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 210 Y C 2.209 178.198 175.900 0.148 0.000 1.152 210 Y CA 1.830 59.986 58.100 0.094 0.000 1.136 210 Y CB -0.402 38.084 38.460 0.044 0.000 0.975 210 Y HN 0.143 nan 8.280 nan 0.000 0.498 211 L N 0.070 121.365 121.223 0.120 0.000 2.046 211 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 211 L C 2.463 179.521 176.870 0.313 0.000 1.077 211 L CA 1.835 56.753 54.840 0.131 0.000 0.747 211 L CB -0.527 41.727 42.059 0.324 0.000 0.896 211 L HN 0.168 nan 8.230 nan 0.000 0.432 212 K N -0.340 120.249 120.400 0.316 0.000 2.097 212 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 212 K C 1.684 178.289 176.600 0.007 0.000 1.050 212 K CA 1.260 57.648 56.287 0.168 0.000 0.938 212 K CB -0.097 32.466 32.500 0.105 0.000 0.718 212 K HN 0.271 nan 8.250 nan 0.000 0.442 213 D N 0.613 121.007 120.400 -0.009 0.000 2.144 213 D HA -0.090 4.550 4.640 -0.000 0.000 0.200 213 D C 1.854 178.112 176.300 -0.069 0.000 0.978 213 D CA 1.071 55.029 54.000 -0.071 0.000 0.833 213 D CB -0.090 40.682 40.800 -0.045 0.000 0.961 213 D HN 0.172 nan 8.370 nan 0.000 0.470 214 A N 1.133 123.916 122.820 -0.061 0.000 1.865 214 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 214 A C 2.238 179.962 177.584 0.234 0.000 1.191 214 A CA 1.108 53.188 52.037 0.072 0.000 0.623 214 A CB -0.754 18.307 19.000 0.102 0.000 0.826 214 A HN 0.213 nan 8.150 nan 0.000 0.444 215 I N -0.078 120.595 120.570 0.171 0.000 2.361 215 I HA -0.208 3.962 4.170 -0.000 0.000 0.251 215 I C 2.117 178.246 176.117 0.019 0.000 1.133 215 I CA 1.647 62.936 61.300 -0.017 0.000 1.413 215 I CB -0.307 37.563 38.000 -0.217 0.000 1.073 215 I HN 0.285 nan 8.210 nan 0.000 0.424 216 K N -0.347 120.019 120.400 -0.056 0.000 2.103 216 K HA -0.235 4.085 4.320 -0.000 0.000 0.207 216 K C 2.183 178.772 176.600 -0.019 0.000 1.048 216 K CA 1.987 58.223 56.287 -0.085 0.000 0.930 216 K CB -0.380 31.933 32.500 -0.313 0.000 0.716 216 K HN 0.424 nan 8.250 nan 0.000 0.444 217 M N -0.263 119.275 119.600 -0.103 0.000 2.080 217 M HA -0.200 4.280 4.480 -0.000 0.000 0.260 217 M C 1.385 177.506 176.300 -0.300 0.000 1.068 217 M CA 1.861 57.016 55.300 -0.242 0.000 1.109 217 M CB -0.161 32.194 32.600 -0.408 0.000 1.342 217 M HN 0.215 nan 8.290 nan 0.000 0.405 218 W N 0.458 121.748 121.300 -0.017 0.000 2.436 218 W HA -0.053 4.607 4.660 0.000 0.000 0.284 218 W C 2.016 178.568 176.519 0.055 0.000 1.225 218 W CA 0.550 57.886 57.345 -0.014 0.000 1.271 218 W CB -0.462 28.956 29.460 -0.069 0.000 1.114 218 W HN 0.190 nan 8.180 nan 0.000 0.559 219 L N -0.072 121.281 121.223 0.217 0.000 2.093 219 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 219 L C 1.798 178.767 176.870 0.165 0.000 1.085 219 L CA 1.127 56.082 54.840 0.191 0.000 0.755 219 L CB -0.698 41.486 42.059 0.209 0.000 0.904 219 L HN -0.087 nan 8.230 nan 0.000 0.435 220 D N 0.019 120.505 120.400 0.143 0.000 2.312 220 D HA -0.077 4.563 4.640 -0.000 0.000 0.211 220 D C 2.201 178.550 176.300 0.082 0.000 0.964 220 D CA 0.918 54.979 54.000 0.103 0.000 0.877 220 D CB 0.119 40.967 40.800 0.080 0.000 0.924 220 D HN 0.323 nan 8.370 nan 0.000 0.515 221 L N -0.624 120.662 121.223 0.105 0.000 2.554 221 L HA 0.128 4.468 4.340 -0.000 0.000 0.226 221 L C 1.415 178.405 176.870 0.200 0.000 1.137 221 L CA 0.501 55.437 54.840 0.160 0.000 0.863 221 L CB 0.076 42.279 42.059 0.239 0.000 0.985 221 L HN 0.124 nan 8.230 nan 0.000 0.451 222 G N 0.958 109.876 108.800 0.197 0.000 2.134 222 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.209 222 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.209 222 G C 0.400 175.448 174.900 0.247 0.000 0.993 222 G CA 0.058 45.277 45.100 0.199 0.000 0.669 222 G HN 0.386 nan 8.290 nan 0.000 0.519 223 I N -2.304 118.434 120.570 0.281 0.000 3.045 223 I HA 0.391 4.561 4.170 -0.000 0.000 0.288 223 I C 0.578 176.855 176.117 0.267 0.000 1.238 223 I CA 0.253 61.722 61.300 0.281 0.000 1.396 223 I CB 0.536 38.721 38.000 0.308 0.000 1.355 223 I HN -0.066 nan 8.210 nan 0.000 0.601 224 D N 2.952 123.536 120.400 0.307 0.000 2.407 224 D HA 0.281 4.921 4.640 -0.000 0.000 0.208 224 D C 0.573 177.129 176.300 0.427 0.000 1.083 224 D CA 0.327 54.542 54.000 0.358 0.000 0.844 224 D CB 1.288 42.329 40.800 0.401 0.000 0.967 224 D HN 0.856 nan 8.370 nan 0.000 0.506 225 G N 0.397 109.366 108.800 0.281 0.000 2.576 225 G HA2 0.565 4.525 3.960 -0.000 0.000 0.290 225 G HA3 0.565 4.525 3.960 -0.000 0.000 0.290 225 G C -1.758 173.160 174.900 0.031 0.000 1.442 225 G CA -0.676 44.504 45.100 0.134 0.000 0.792 225 G HN -0.012 nan 8.290 nan 0.000 0.491 226 I N 0.365 120.877 120.570 -0.096 0.000 2.582 226 I HA 0.534 4.704 4.170 -0.000 0.000 0.292 226 I C -0.387 175.375 176.117 -0.591 0.000 1.066 226 I CA -1.016 60.159 61.300 -0.208 0.000 1.053 226 I CB 2.508 40.440 38.000 -0.113 0.000 1.241 226 I HN 0.293 nan 8.210 nan 0.000 0.421 227 R N 7.171 127.247 120.500 -0.707 0.000 2.272 227 R HA 0.444 4.784 4.340 -0.000 0.000 0.323 227 R C -1.215 174.802 176.300 -0.473 0.000 1.002 227 R CA -0.701 54.667 56.100 -1.221 0.000 0.900 227 R CB 0.974 30.349 30.300 -1.542 0.000 1.151 227 R HN 0.570 nan 8.270 nan 0.000 0.507 228 M N 2.638 122.037 119.600 -0.334 0.000 2.188 228 M HA 0.105 4.585 4.480 -0.000 0.000 0.354 228 M C -0.003 176.323 176.300 0.043 0.000 1.342 228 M CA -0.317 54.966 55.300 -0.029 0.000 1.117 228 M CB 0.582 33.211 32.600 0.049 0.000 1.670 228 M HN 0.402 nan 8.290 nan 0.000 0.466 229 D N 2.073 122.548 120.400 0.125 0.000 2.302 229 D HA 0.276 4.916 4.640 -0.000 0.000 0.248 229 D C 0.413 176.808 176.300 0.158 0.000 1.094 229 D CA 0.058 54.164 54.000 0.177 0.000 0.897 229 D CB 0.811 41.757 40.800 0.243 0.000 1.200 229 D HN 0.564 nan 8.370 nan 0.000 0.429 230 V N 2.029 122.039 119.914 0.160 0.000 5.562 230 V HA -0.264 3.856 4.120 -0.000 0.000 0.232 230 V C 1.115 177.269 176.094 0.100 0.000 0.694 230 V CA 1.029 63.431 62.300 0.171 0.000 0.574 230 V CB -2.678 29.285 31.823 0.232 0.000 0.230 230 V HN 0.567 nan 8.190 nan 0.000 0.568 231 V N -1.360 118.576 119.914 0.038 0.000 2.867 231 V HA -0.127 3.993 4.120 -0.000 0.000 0.260 231 V C 2.254 178.191 176.094 -0.262 0.000 1.099 231 V CA 2.002 64.285 62.300 -0.027 0.000 1.122 231 V CB -0.721 31.121 31.823 0.032 0.000 0.708 231 V HN 0.857 nan 8.190 nan 0.000 0.490 232 K N -0.635 119.446 120.400 -0.531 0.000 2.486 232 K HA -0.049 4.271 4.320 -0.000 0.000 0.194 232 K C 1.192 177.322 176.600 -0.784 0.000 1.033 232 K CA 0.686 56.379 56.287 -0.991 0.000 1.004 232 K CB -0.088 31.381 32.500 -1.717 0.000 0.798 232 K HN 0.692 nan 8.250 nan 0.000 0.495 233 H N -0.547 118.405 119.070 -0.196 0.000 2.486 233 H HA 0.254 4.810 4.556 -0.000 0.000 0.284 233 H C -0.280 174.966 175.328 -0.137 0.000 1.103 233 H CA 0.009 55.950 56.048 -0.178 0.000 1.089 233 H CB 0.254 29.931 29.762 -0.143 0.000 1.603 233 H HN 0.117 nan 8.280 nan 0.000 0.557 234 M N 0.702 120.283 119.600 -0.032 0.000 2.572 234 M HA 0.354 4.834 4.480 -0.000 0.000 0.299 234 M C -2.690 173.594 176.300 -0.026 0.000 1.205 234 M CA -1.934 53.359 55.300 -0.012 0.000 0.876 234 M CB 2.900 35.531 32.600 0.051 0.000 1.728 234 M HN -0.220 nan 8.290 nan 0.000 0.458 235 P HA -0.003 nan 4.420 nan 0.000 0.263 235 P C -0.078 177.374 177.300 0.253 0.000 1.195 235 P CA 0.111 63.200 63.100 -0.018 0.000 0.762 235 P CB 0.115 31.910 31.700 0.158 0.000 0.799 236 F N 2.498 122.580 119.950 0.220 0.000 2.171 236 F HA -0.077 4.450 4.527 -0.000 0.000 0.300 236 F C 2.452 178.398 175.800 0.243 0.000 1.090 236 F CA 1.529 59.759 58.000 0.385 0.000 1.293 236 F CB -2.102 37.191 39.000 0.489 0.000 1.013 236 F HN 0.353 nan 8.300 nan 0.000 0.486 237 G N -1.166 107.810 108.800 0.293 0.000 2.418 237 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.217 237 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.217 237 G C 1.575 176.605 174.900 0.216 0.000 1.158 237 G CA 0.628 45.851 45.100 0.206 0.000 0.771 237 G HN 0.486 nan 8.290 nan 0.000 0.545 238 W N 1.346 122.719 121.300 0.121 0.000 2.381 238 W HA -0.038 4.622 4.660 -0.000 0.000 0.301 238 W C 2.740 179.338 176.519 0.132 0.000 1.205 238 W CA 1.557 58.969 57.345 0.113 0.000 1.285 238 W CB -0.072 29.425 29.460 0.062 0.000 1.133 238 W HN 0.282 nan 8.180 nan 0.000 0.521 239 Q N 0.248 120.103 119.800 0.093 0.000 2.170 239 Q HA -0.251 4.089 4.340 -0.000 0.000 0.203 239 Q C 2.190 178.146 176.000 -0.073 0.000 0.976 239 Q CA 1.806 57.580 55.803 -0.048 0.000 0.858 239 Q CB -0.422 28.509 28.738 0.321 0.000 0.907 239 Q HN 0.366 nan 8.270 nan 0.000 0.433 240 K N 0.791 121.178 120.400 -0.022 0.000 2.057 240 K HA -0.146 4.174 4.320 -0.000 0.000 0.206 240 K C 2.253 178.787 176.600 -0.110 0.000 1.050 240 K CA 1.583 57.832 56.287 -0.062 0.000 0.935 240 K CB -0.065 32.426 32.500 -0.015 0.000 0.715 240 K HN 0.179 nan 8.250 nan 0.000 0.439 241 S N -0.183 115.428 115.700 -0.148 0.000 2.423 241 S HA -0.140 4.330 4.470 -0.000 0.000 0.231 241 S C 1.837 176.279 174.600 -0.263 0.000 1.014 241 S CA 0.537 58.636 58.200 -0.169 0.000 0.965 241 S CB -0.507 62.617 63.200 -0.126 0.000 0.785 241 S HN 0.432 nan 8.310 nan 0.000 0.495 242 F N 2.094 121.688 119.950 -0.593 0.000 2.163 242 F HA 0.155 4.682 4.527 -0.000 0.000 0.297 242 F C 2.229 177.851 175.800 -0.298 0.000 1.094 242 F CA 1.211 58.861 58.000 -0.583 0.000 1.290 242 F CB -0.270 38.182 39.000 -0.913 0.000 1.017 242 F HN 0.100 nan 8.300 nan 0.000 0.483 243 M N 0.378 119.870 119.600 -0.179 0.000 2.229 243 M HA -0.066 4.414 4.480 -0.000 0.000 0.264 243 M C 2.449 178.628 176.300 -0.202 0.000 1.063 243 M CA 1.408 56.598 55.300 -0.183 0.000 1.114 243 M CB -2.001 30.546 32.600 -0.088 0.000 1.387 243 M HN 0.315 nan 8.290 nan 0.000 0.420 244 A N 0.020 122.734 122.820 -0.177 0.000 1.930 244 A HA 0.078 4.398 4.320 -0.000 0.000 0.217 244 A C 2.436 179.934 177.584 -0.143 0.000 1.175 244 A CA 1.782 53.740 52.037 -0.131 0.000 0.627 244 A CB -0.799 18.142 19.000 -0.099 0.000 0.815 244 A HN 0.445 nan 8.150 nan 0.000 0.443 245 A N -0.475 122.215 122.820 -0.217 0.000 1.902 245 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 245 A C 2.238 179.702 177.584 -0.200 0.000 1.181 245 A CA 1.840 53.749 52.037 -0.214 0.000 0.623 245 A CB -0.898 17.925 19.000 -0.294 0.000 0.818 245 A HN 0.356 nan 8.150 nan 0.000 0.443 246 V N 0.963 120.688 119.914 -0.316 0.000 2.270 246 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 246 V C 2.205 178.261 176.094 -0.063 0.000 1.043 246 V CA 2.164 64.335 62.300 -0.216 0.000 1.014 246 V CB -0.934 30.696 31.823 -0.323 0.000 0.645 246 V HN 0.562 nan 8.190 nan 0.000 0.447 247 N N 0.770 119.423 118.700 -0.077 0.000 2.309 247 N HA -0.093 4.647 4.740 -0.000 0.000 0.182 247 N C 1.409 176.920 175.510 0.002 0.000 1.018 247 N CA 0.938 53.974 53.050 -0.023 0.000 0.876 247 N CB -0.495 37.975 38.487 -0.028 0.000 0.972 247 N HN 0.454 nan 8.380 nan 0.000 0.434 248 N N -0.396 118.305 118.700 0.002 0.000 2.461 248 N HA -0.052 4.688 4.740 -0.000 0.000 0.188 248 N C 0.720 176.282 175.510 0.086 0.000 1.134 248 N CA 0.192 53.258 53.050 0.026 0.000 0.878 248 N CB 0.233 38.725 38.487 0.008 0.000 0.972 248 N HN 0.366 nan 8.380 nan 0.000 0.456 249 Y N 0.749 121.013 120.300 -0.060 0.000 2.972 249 Y HA 0.343 4.893 4.550 -0.000 0.000 0.211 249 Y C -0.391 175.489 175.900 -0.034 0.000 0.969 249 Y CA 0.509 58.578 58.100 -0.051 0.000 1.574 249 Y CB 0.624 39.041 38.460 -0.072 0.000 1.364 249 Y HN -0.329 nan 8.280 nan 0.000 0.467 250 K N 2.595 122.914 120.400 -0.134 0.000 2.723 250 K HA 0.304 4.623 4.320 -0.000 0.000 0.229 250 K C -2.904 173.681 176.600 -0.026 0.000 1.022 250 K CA -2.087 54.090 56.287 -0.182 0.000 1.045 250 K CB 1.732 34.071 32.500 -0.269 0.000 1.227 250 K HN 0.093 nan 8.250 nan 0.000 0.516 251 P HA 0.010 nan 4.420 nan 0.000 0.267 251 P C -0.364 176.982 177.300 0.076 0.000 1.205 251 P CA -0.213 62.907 63.100 0.034 0.000 0.765 251 P CB 1.055 32.785 31.700 0.051 0.000 0.828 252 V N 1.215 121.187 119.914 0.096 0.000 2.971 252 V HA 0.471 4.591 4.120 -0.000 0.000 0.309 252 V C -0.426 175.788 176.094 0.200 0.000 1.130 252 V CA -1.442 60.963 62.300 0.174 0.000 0.964 252 V CB 1.670 33.588 31.823 0.158 0.000 1.029 252 V HN 0.333 nan 8.190 nan 0.000 0.427 253 F N 2.922 122.952 119.950 0.132 0.000 2.593 253 F HA 0.471 4.998 4.527 -0.000 0.000 0.393 253 F C 0.488 176.296 175.800 0.014 0.000 1.037 253 F CA 1.129 59.168 58.000 0.065 0.000 1.195 253 F CB 0.069 39.044 39.000 -0.042 0.000 1.034 253 F HN 0.796 nan 8.300 nan 0.000 0.552 254 T N 8.244 122.515 114.554 -0.471 0.000 2.848 254 T HA 0.597 4.947 4.350 -0.000 0.000 0.285 254 T C -1.182 173.263 174.700 -0.425 0.000 0.995 254 T CA -0.312 61.564 62.100 -0.374 0.000 0.970 254 T CB 0.969 69.740 68.868 -0.161 0.000 0.976 254 T HN 0.391 nan 8.240 nan 0.000 0.441 255 F N -0.287 119.355 119.950 -0.513 0.000 2.569 255 F HA 0.878 5.405 4.527 -0.000 0.000 0.312 255 F C 0.001 175.725 175.800 -0.126 0.000 1.109 255 F CA -1.484 56.310 58.000 -0.344 0.000 0.919 255 F CB 0.922 39.679 39.000 -0.404 0.000 1.211 255 F HN 0.693 nan 8.300 nan 0.000 0.446 256 G N 0.717 109.583 108.800 0.108 0.000 2.461 256 G HA2 0.472 4.432 3.960 -0.000 0.000 0.329 256 G HA3 0.472 4.432 3.960 -0.000 0.000 0.329 256 G C -1.688 173.362 174.900 0.249 0.000 1.170 256 G CA -0.815 44.366 45.100 0.134 0.000 0.935 256 G HN 0.888 nan 8.290 nan 0.000 0.492 257 E N 0.508 120.850 120.200 0.237 0.000 2.081 257 E HA 0.153 4.503 4.350 -0.000 0.000 0.276 257 E C -1.342 175.449 176.600 0.319 0.000 0.950 257 E CA -0.803 55.817 56.400 0.366 0.000 0.776 257 E CB 0.919 30.826 29.700 0.344 0.000 1.094 257 E HN 0.464 nan 8.360 nan 0.000 0.402 258 W N 8.355 129.729 121.300 0.123 0.000 2.485 258 W HA 0.236 4.896 4.660 -0.000 0.000 0.297 258 W C -1.597 174.745 176.519 -0.296 0.000 0.999 258 W CA -1.589 55.724 57.345 -0.055 0.000 1.512 258 W CB 0.086 29.511 29.460 -0.058 0.000 1.322 258 W HN 0.462 nan 8.180 nan 0.000 0.419 259 F N 5.866 125.573 119.950 -0.406 0.000 2.607 259 F HA 0.267 4.794 4.527 -0.000 0.000 0.374 259 F C -0.597 175.029 175.800 -0.291 0.000 1.104 259 F CA 0.826 58.265 58.000 -0.936 0.000 1.296 259 F CB 0.622 39.285 39.000 -0.562 0.000 1.085 259 F HN 0.172 nan 8.300 nan 0.000 0.584 260 L N 6.059 126.642 121.223 -1.068 0.000 2.410 260 L HA 0.521 4.861 4.340 -0.000 0.000 0.270 260 L C 0.457 176.858 176.870 -0.781 0.000 0.983 260 L CA -0.903 53.677 54.840 -0.433 0.000 0.822 260 L CB 1.687 43.713 42.059 -0.055 0.000 1.285 260 L HN 0.799 nan 8.230 nan 0.000 0.409 261 G N 1.418 110.073 108.800 -0.242 0.000 2.588 261 G HA2 0.452 4.412 3.960 -0.000 0.000 0.281 261 G HA3 0.452 4.412 3.960 -0.000 0.000 0.281 261 G C -0.145 174.756 174.900 0.003 0.000 1.236 261 G CA -0.568 44.517 45.100 -0.024 0.000 0.969 261 G HN 0.291 nan 8.290 nan 0.000 0.504 262 V N 1.863 121.814 119.914 0.062 0.000 2.617 262 V HA -0.018 4.102 4.120 -0.000 0.000 0.304 262 V C 0.959 177.078 176.094 0.043 0.000 1.040 262 V CA 0.530 62.860 62.300 0.049 0.000 1.149 262 V CB 0.559 32.415 31.823 0.054 0.000 0.914 262 V HN 0.939 nan 8.190 nan 0.000 0.487 263 N N 1.193 119.914 118.700 0.034 0.000 2.863 263 N HA -0.198 4.542 4.740 -0.000 0.000 0.245 263 N C 0.434 175.969 175.510 0.041 0.000 1.001 263 N CA 1.555 54.625 53.050 0.034 0.000 0.901 263 N CB -0.588 37.917 38.487 0.030 0.000 1.124 263 N HN 0.988 nan 8.380 nan 0.000 0.582 264 E N 1.087 121.313 120.200 0.044 0.000 2.229 264 E HA 0.372 4.721 4.350 -0.000 0.000 0.283 264 E C -0.795 175.833 176.600 0.047 0.000 1.030 264 E CA -0.328 56.101 56.400 0.047 0.000 0.836 264 E CB 0.868 30.601 29.700 0.056 0.000 1.068 264 E HN 0.000 nan 8.360 nan 0.000 0.401 265 V N 4.317 124.250 119.914 0.033 0.000 2.376 265 V HA 0.209 4.329 4.120 -0.000 0.000 0.287 265 V C -0.340 175.699 176.094 -0.092 0.000 1.015 265 V CA -0.679 61.632 62.300 0.019 0.000 0.834 265 V CB 1.438 33.300 31.823 0.064 0.000 1.001 265 V HN 0.621 nan 8.190 nan 0.000 0.428 266 S N 6.444 121.992 115.700 -0.254 0.000 2.498 266 S HA 0.488 4.958 4.470 -0.000 0.000 0.324 266 S C -1.665 172.510 174.600 -0.708 0.000 1.071 266 S CA -1.512 56.494 58.200 -0.322 0.000 1.113 266 S CB 1.800 64.913 63.200 -0.145 0.000 0.976 266 S HN 0.484 nan 8.310 nan 0.000 0.462 267 P HA -0.095 nan 4.420 nan 0.000 0.218 267 P C 1.094 178.244 177.300 -0.249 0.000 1.148 267 P CA 1.041 63.933 63.100 -0.348 0.000 0.822 267 P CB 0.207 31.857 31.700 -0.083 0.000 0.784 268 E N -0.696 119.420 120.200 -0.140 0.000 2.051 268 E HA -0.243 4.107 4.350 -0.000 0.000 0.192 268 E C 1.984 178.350 176.600 -0.390 0.000 0.991 268 E CA 1.305 57.692 56.400 -0.022 0.000 0.799 268 E CB -0.586 29.300 29.700 0.309 0.000 0.748 268 E HN 0.262 nan 8.360 nan 0.000 0.449 269 N N 0.104 118.303 118.700 -0.834 0.000 2.061 269 N HA -0.217 4.523 4.740 -0.000 0.000 0.193 269 N C 1.686 176.920 175.510 -0.459 0.000 1.030 269 N CA 1.745 54.004 53.050 -1.319 0.000 0.856 269 N CB -0.084 37.731 38.487 -1.119 0.000 1.023 269 N HN 0.285 nan 8.380 nan 0.000 0.424 270 H N -0.499 118.364 119.070 -0.343 0.000 2.319 270 H HA -0.107 4.448 4.556 -0.000 0.000 0.299 270 H C 2.058 177.307 175.328 -0.131 0.000 1.092 270 H CA 1.244 57.114 56.048 -0.297 0.000 1.302 270 H CB -0.044 29.498 29.762 -0.368 0.000 1.373 270 H HN 0.224 nan 8.280 nan 0.000 0.497 271 K N 0.574 120.984 120.400 0.016 0.000 2.097 271 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 271 K C 2.002 178.623 176.600 0.034 0.000 1.049 271 K CA 1.261 57.570 56.287 0.036 0.000 0.933 271 K CB -0.141 32.398 32.500 0.066 0.000 0.717 271 K HN 0.148 nan 8.250 nan 0.000 0.442 272 F N 1.015 120.865 119.950 -0.168 0.000 2.134 272 F HA -0.133 4.394 4.527 -0.000 0.000 0.299 272 F C 1.997 177.763 175.800 -0.056 0.000 1.097 272 F CA 1.526 59.422 58.000 -0.174 0.000 1.264 272 F CB -0.326 38.484 39.000 -0.316 0.000 1.001 272 F HN 0.065 nan 8.300 nan 0.000 0.479 273 A N 0.066 122.950 122.820 0.107 0.000 1.969 273 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 273 A C 1.886 179.490 177.584 0.033 0.000 1.169 273 A CA 1.729 53.831 52.037 0.109 0.000 0.635 273 A CB -0.701 18.488 19.000 0.315 0.000 0.810 273 A HN 0.481 nan 8.150 nan 0.000 0.445 274 N N -0.390 118.330 118.700 0.034 0.000 2.416 274 N HA -0.012 4.728 4.740 -0.000 0.000 0.177 274 N C 0.976 176.462 175.510 -0.040 0.000 1.036 274 N CA 1.140 54.199 53.050 0.014 0.000 0.901 274 N CB 0.054 38.553 38.487 0.021 0.000 0.976 274 N HN 0.698 nan 8.380 nan 0.000 0.444 275 E N -1.119 119.026 120.200 -0.092 0.000 2.606 275 E HA 0.100 4.450 4.350 -0.000 0.000 0.224 275 E C 1.134 177.628 176.600 -0.176 0.000 0.930 275 E CA -0.024 56.316 56.400 -0.100 0.000 1.125 275 E CB 0.482 30.159 29.700 -0.037 0.000 1.123 275 E HN 0.205 nan 8.360 nan 0.000 0.522 276 S N -0.399 115.089 115.700 -0.352 0.000 2.446 276 S HA 0.116 4.586 4.470 -0.000 0.000 0.225 276 S C 1.756 176.182 174.600 -0.289 0.000 1.016 276 S CA 0.773 58.690 58.200 -0.471 0.000 0.943 276 S CB 0.335 62.800 63.200 -1.226 0.000 0.786 276 S HN 0.308 nan 8.310 nan 0.000 0.508 277 G N 1.184 109.848 108.800 -0.227 0.000 2.184 277 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.206 277 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.206 277 G C -0.128 174.701 174.900 -0.119 0.000 0.995 277 G CA 0.076 45.087 45.100 -0.147 0.000 0.651 277 G HN 0.946 nan 8.290 nan 0.000 0.511 278 M N -0.310 119.198 119.600 -0.153 0.000 2.631 278 M HA 0.843 5.323 4.480 -0.000 0.000 0.288 278 M C 0.221 176.485 176.300 -0.061 0.000 1.260 278 M CA -0.280 54.960 55.300 -0.101 0.000 0.842 278 M CB 1.874 34.444 32.600 -0.050 0.000 1.743 278 M HN 0.571 nan 8.290 nan 0.000 0.461 279 S N 1.015 116.689 115.700 -0.043 0.000 2.718 279 S HA 0.896 5.366 4.470 -0.000 0.000 0.292 279 S C -0.466 174.214 174.600 0.132 0.000 1.125 279 S CA -0.855 57.364 58.200 0.031 0.000 1.013 279 S CB 1.097 64.310 63.200 0.022 0.000 1.192 279 S HN 0.752 nan 8.310 nan 0.000 0.535 280 L N -0.248 121.058 121.223 0.139 0.000 2.359 280 L HA 0.502 4.842 4.340 -0.000 0.000 0.256 280 L C -0.964 176.051 176.870 0.242 0.000 1.026 280 L CA -1.059 53.933 54.840 0.253 0.000 0.828 280 L CB 1.649 43.879 42.059 0.285 0.000 1.406 280 L HN 0.567 nan 8.230 nan 0.000 0.413 281 L N 1.389 122.851 121.223 0.398 0.000 2.455 281 L HA 0.061 4.400 4.340 -0.000 0.000 0.272 281 L C 0.215 177.358 176.870 0.455 0.000 1.174 281 L CA 0.082 55.167 54.840 0.409 0.000 0.869 281 L CB 0.190 42.513 42.059 0.440 0.000 1.130 281 L HN 0.498 nan 8.230 nan 0.000 0.474 282 D N 3.138 123.720 120.400 0.303 0.000 2.551 282 D HA 0.017 4.657 4.640 -0.000 0.000 0.223 282 D C 0.905 177.269 176.300 0.107 0.000 1.144 282 D CA 0.145 54.232 54.000 0.145 0.000 1.025 282 D CB 0.199 40.955 40.800 -0.073 0.000 1.085 282 D HN 0.292 nan 8.370 nan 0.000 0.506 283 F N 1.082 121.162 119.950 0.217 0.000 2.186 283 F HA -0.066 4.461 4.527 -0.000 0.000 0.299 283 F C 2.554 178.365 175.800 0.018 0.000 1.090 283 F CA 0.711 58.770 58.000 0.099 0.000 1.307 283 F CB -0.103 38.947 39.000 0.084 0.000 1.019 283 F HN 0.259 nan 8.300 nan 0.000 0.489 284 R N -0.307 120.355 120.500 0.271 0.000 2.091 284 R HA -0.249 4.091 4.340 -0.000 0.000 0.238 284 R C 2.303 178.702 176.300 0.166 0.000 1.136 284 R CA 1.899 58.123 56.100 0.206 0.000 0.959 284 R CB -0.706 29.758 30.300 0.274 0.000 0.856 284 R HN 0.306 nan 8.270 nan 0.000 0.437 285 F N 0.814 120.766 119.950 0.003 0.000 2.084 285 F HA -0.075 4.452 4.527 -0.000 0.000 0.296 285 F C 2.173 177.915 175.800 -0.097 0.000 1.111 285 F CA 1.582 59.566 58.000 -0.026 0.000 1.224 285 F CB -0.696 38.265 39.000 -0.065 0.000 0.991 285 F HN 0.110 nan 8.300 nan 0.000 0.471 286 A N 0.279 123.112 122.820 0.021 0.000 1.883 286 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 286 A C 2.155 179.693 177.584 -0.076 0.000 1.186 286 A CA 1.868 53.767 52.037 -0.229 0.000 0.624 286 A CB -0.924 17.448 19.000 -1.047 0.000 0.822 286 A HN 0.562 nan 8.150 nan 0.000 0.444 287 Q N -0.643 119.136 119.800 -0.035 0.000 2.124 287 Q HA -0.197 4.143 4.340 -0.000 0.000 0.202 287 Q C 2.087 178.090 176.000 0.005 0.000 0.977 287 Q CA 1.869 57.685 55.803 0.022 0.000 0.850 287 Q CB -0.338 28.424 28.738 0.039 0.000 0.901 287 Q HN 0.638 nan 8.270 nan 0.000 0.429 288 K N 0.720 121.101 120.400 -0.030 0.000 2.097 288 K HA -0.056 4.264 4.320 -0.000 0.000 0.205 288 K C 1.963 178.515 176.600 -0.079 0.000 1.050 288 K CA 0.725 56.972 56.287 -0.067 0.000 0.938 288 K CB -0.337 32.105 32.500 -0.097 0.000 0.718 288 K HN -0.025 nan 8.250 nan 0.000 0.442 289 V N 1.299 121.167 119.914 -0.076 0.000 2.407 289 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 289 V C 2.339 178.611 176.094 0.297 0.000 1.055 289 V CA 1.960 64.322 62.300 0.102 0.000 1.049 289 V CB -0.438 31.429 31.823 0.073 0.000 0.662 289 V HN 0.320 nan 8.190 nan 0.000 0.455 290 R N -0.522 120.101 120.500 0.206 0.000 2.075 290 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 290 R C 2.418 178.737 176.300 0.032 0.000 1.126 290 R CA 1.480 57.667 56.100 0.145 0.000 0.963 290 R CB -0.345 29.995 30.300 0.066 0.000 0.858 290 R HN 0.596 nan 8.270 nan 0.000 0.435 291 Q N 0.144 119.945 119.800 0.003 0.000 2.030 291 Q HA -0.149 4.191 4.340 -0.000 0.000 0.204 291 Q C 2.253 178.205 176.000 -0.080 0.000 0.986 291 Q CA 1.759 57.538 55.803 -0.039 0.000 0.843 291 Q CB -0.080 28.632 28.738 -0.044 0.000 0.904 291 Q HN 0.166 nan 8.270 nan 0.000 0.420 292 V N -0.336 119.493 119.914 -0.141 0.000 2.323 292 V HA -0.191 3.929 4.120 -0.000 0.000 0.244 292 V C 1.662 177.531 176.094 -0.376 0.000 1.041 292 V CA 1.715 63.811 62.300 -0.341 0.000 1.025 292 V CB -0.388 31.070 31.823 -0.610 0.000 0.656 292 V HN 0.253 nan 8.190 nan 0.000 0.451 293 F N -0.769 119.189 119.950 0.012 0.000 2.656 293 F HA 0.228 4.755 4.527 -0.000 0.000 0.291 293 F C 2.366 178.256 175.800 0.149 0.000 1.122 293 F CA 0.771 58.843 58.000 0.120 0.000 1.427 293 F CB -0.043 39.093 39.000 0.227 0.000 1.125 293 F HN -0.079 nan 8.300 nan 0.000 0.583 294 R N 0.102 120.688 120.500 0.145 0.000 2.098 294 R HA 0.039 4.379 4.340 -0.000 0.000 0.203 294 R C 1.007 177.229 176.300 -0.129 0.000 1.166 294 R CA 0.942 56.932 56.100 -0.184 0.000 1.090 294 R CB 0.056 29.896 30.300 -0.766 0.000 0.992 294 R HN 0.010 nan 8.270 nan 0.000 0.477 295 D N 0.120 120.457 120.400 -0.104 0.000 2.367 295 D HA -0.017 4.623 4.640 -0.000 0.000 0.207 295 D C -0.184 176.085 176.300 -0.050 0.000 1.034 295 D CA 0.254 54.209 54.000 -0.076 0.000 0.861 295 D CB 0.020 40.779 40.800 -0.067 0.000 0.943 295 D HN 0.216 nan 8.370 nan 0.000 0.515 296 N N 0.518 119.187 118.700 -0.051 0.000 2.758 296 N HA -0.169 4.571 4.740 -0.000 0.000 0.248 296 N C 0.227 175.711 175.510 -0.044 0.000 1.076 296 N CA 1.157 54.177 53.050 -0.050 0.000 0.696 296 N CB -1.534 36.932 38.487 -0.034 0.000 0.979 296 N HN 0.234 nan 8.380 nan 0.000 0.550 297 T N -4.380 110.146 114.554 -0.047 0.000 3.054 297 T HA 0.331 4.681 4.350 -0.000 0.000 0.255 297 T C 0.081 174.759 174.700 -0.036 0.000 1.035 297 T CA 0.045 62.125 62.100 -0.033 0.000 0.941 297 T CB 0.665 69.519 68.868 -0.024 0.000 1.026 297 T HN 0.281 nan 8.240 nan 0.000 0.533 298 D N 0.882 121.247 120.400 -0.058 0.000 2.653 298 D HA 0.361 5.001 4.640 -0.000 0.000 0.258 298 D C -1.441 174.800 176.300 -0.098 0.000 1.252 298 D CA -0.536 53.429 54.000 -0.058 0.000 0.777 298 D CB 1.765 42.531 40.800 -0.057 0.000 1.339 298 D HN 0.268 nan 8.370 nan 0.000 0.422 299 N N 0.122 118.778 118.700 -0.073 0.000 2.813 299 N HA 0.284 5.024 4.740 -0.000 0.000 0.320 299 N C 0.995 176.395 175.510 -0.184 0.000 1.315 299 N CA -0.503 52.477 53.050 -0.117 0.000 0.871 299 N CB 0.223 38.699 38.487 -0.018 0.000 1.241 299 N HN 0.183 nan 8.380 nan 0.000 0.602 300 M N -0.911 118.526 119.600 -0.272 0.000 2.202 300 M HA -0.064 4.416 4.480 -0.000 0.000 0.262 300 M C 1.206 177.334 176.300 -0.287 0.000 1.063 300 M CA 1.490 56.590 55.300 -0.333 0.000 1.097 300 M CB -1.407 30.975 32.600 -0.363 0.000 1.382 300 M HN 0.517 nan 8.290 nan 0.000 0.413 301 Y N 0.049 120.309 120.300 -0.067 0.000 2.274 301 Y HA -0.090 4.460 4.550 -0.000 0.000 0.290 301 Y C 2.610 178.479 175.900 -0.050 0.000 1.145 301 Y CA 1.438 59.510 58.100 -0.047 0.000 1.203 301 Y CB -1.366 37.068 38.460 -0.043 0.000 0.984 301 Y HN 0.307 nan 8.280 nan 0.000 0.533 302 G N -0.697 108.133 108.800 0.051 0.000 2.403 302 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 302 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 302 G C 1.624 176.497 174.900 -0.044 0.000 1.154 302 G CA 0.678 45.780 45.100 0.003 0.000 0.784 302 G HN 0.324 nan 8.290 nan 0.000 0.538 303 L N 0.848 122.002 121.223 -0.115 0.000 2.027 303 L HA 0.092 4.432 4.340 -0.000 0.000 0.206 303 L C 2.722 179.558 176.870 -0.056 0.000 1.074 303 L CA 2.324 57.074 54.840 -0.150 0.000 0.745 303 L CB -0.423 41.462 42.059 -0.290 0.000 0.898 303 L HN 0.257 nan 8.230 nan 0.000 0.433 304 K N -0.600 119.780 120.400 -0.034 0.000 2.032 304 K HA -0.207 4.113 4.320 -0.000 0.000 0.209 304 K C 1.958 178.584 176.600 0.043 0.000 1.048 304 K CA 1.523 57.824 56.287 0.023 0.000 0.927 304 K CB -0.285 32.237 32.500 0.037 0.000 0.712 304 K HN 0.398 nan 8.250 nan 0.000 0.441 305 A N 1.840 124.687 122.820 0.045 0.000 1.902 305 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 305 A C 2.179 179.790 177.584 0.044 0.000 1.181 305 A CA 1.671 53.736 52.037 0.047 0.000 0.623 305 A CB -0.610 18.417 19.000 0.046 0.000 0.818 305 A HN 0.519 nan 8.150 nan 0.000 0.443 306 M N -0.160 119.462 119.600 0.037 0.000 2.117 306 M HA -0.093 4.387 4.480 -0.000 0.000 0.262 306 M C 1.973 178.327 176.300 0.090 0.000 1.065 306 M CA 1.753 57.087 55.300 0.057 0.000 1.114 306 M CB -0.865 31.751 32.600 0.027 0.000 1.361 306 M HN 0.425 nan 8.290 nan 0.000 0.408 307 L N 0.038 121.310 121.223 0.082 0.000 2.017 307 L HA -0.217 4.123 4.340 -0.000 0.000 0.208 307 L C 2.336 179.257 176.870 0.085 0.000 1.073 307 L CA 1.499 56.400 54.840 0.102 0.000 0.745 307 L CB -0.663 41.443 42.059 0.078 0.000 0.894 307 L HN 0.351 nan 8.230 nan 0.000 0.432 308 E N -0.195 120.045 120.200 0.066 0.000 2.107 308 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 308 E C 2.232 178.855 176.600 0.038 0.000 0.982 308 E CA 0.904 57.336 56.400 0.054 0.000 0.809 308 E CB -0.254 29.477 29.700 0.050 0.000 0.756 308 E HN 0.546 nan 8.360 nan 0.000 0.459 309 G N 1.660 110.482 108.800 0.036 0.000 2.414 309 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.215 309 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.215 309 G C 1.798 176.682 174.900 -0.026 0.000 1.188 309 G CA 1.207 46.311 45.100 0.006 0.000 0.783 309 G HN 0.382 nan 8.290 nan 0.000 0.537 310 S N 1.240 116.967 115.700 0.045 0.000 2.399 310 S HA 0.142 4.612 4.470 -0.000 0.000 0.231 310 S C 2.553 177.231 174.600 0.131 0.000 1.022 310 S CA 1.452 59.720 58.200 0.112 0.000 0.983 310 S CB -0.418 62.974 63.200 0.321 0.000 0.803 310 S HN 0.596 nan 8.310 nan 0.000 0.480 311 A N 1.536 124.411 122.820 0.092 0.000 2.019 311 A HA 0.380 4.700 4.320 -0.000 0.000 0.219 311 A C 2.391 179.988 177.584 0.022 0.000 1.164 311 A CA 1.529 53.611 52.037 0.074 0.000 0.644 311 A CB -1.092 17.946 19.000 0.064 0.000 0.805 311 A HN 0.859 nan 8.150 nan 0.000 0.449 312 A N -0.602 122.204 122.820 -0.024 0.000 1.984 312 A HA 0.040 4.360 4.320 -0.000 0.000 0.214 312 A C 1.632 179.134 177.584 -0.137 0.000 1.173 312 A CA 1.265 53.266 52.037 -0.059 0.000 0.673 312 A CB -0.143 18.828 19.000 -0.049 0.000 0.830 312 A HN 0.381 nan 8.150 nan 0.000 0.453 313 D N -1.326 118.909 120.400 -0.275 0.000 2.194 313 D HA 0.028 4.668 4.640 -0.000 0.000 0.204 313 D C -0.445 175.500 176.300 -0.592 0.000 0.964 313 D CA 0.812 54.472 54.000 -0.567 0.000 0.846 313 D CB -0.103 39.984 40.800 -1.188 0.000 0.962 313 D HN 0.455 nan 8.370 nan 0.000 0.490 314 Y N 0.306 120.486 120.300 -0.199 0.000 2.341 314 Y HA 0.430 4.980 4.550 -0.000 0.000 0.340 314 Y C 1.234 177.091 175.900 -0.072 0.000 0.997 314 Y CA -0.862 57.174 58.100 -0.107 0.000 1.149 314 Y CB 1.576 39.999 38.460 -0.061 0.000 1.171 314 Y HN -0.175 nan 8.280 nan 0.000 0.494 315 A N 2.813 125.679 122.820 0.077 0.000 1.972 315 A HA -0.165 4.154 4.320 -0.000 0.000 0.219 315 A C 0.809 178.389 177.584 -0.006 0.000 1.169 315 A CA 1.334 53.377 52.037 0.008 0.000 0.635 315 A CB -0.208 18.793 19.000 0.001 0.000 0.810 315 A HN 0.785 nan 8.150 nan 0.000 0.446 316 Q N -1.219 118.623 119.800 0.070 0.000 2.965 316 Q HA 0.379 4.719 4.340 -0.000 0.000 0.288 316 Q C 0.447 176.506 176.000 0.098 0.000 0.974 316 Q CA -0.113 55.733 55.803 0.072 0.000 0.849 316 Q CB 1.092 29.901 28.738 0.118 0.000 1.280 316 Q HN 0.145 nan 8.270 nan 0.000 0.441 317 V N 1.005 120.978 119.914 0.098 0.000 2.568 317 V HA -0.264 3.856 4.120 -0.000 0.000 0.253 317 V C 0.942 177.041 176.094 0.009 0.000 1.072 317 V CA 2.202 64.534 62.300 0.055 0.000 1.084 317 V CB 0.144 32.029 31.823 0.103 0.000 0.676 317 V HN 0.690 nan 8.190 nan 0.000 0.469 318 D N -0.405 120.045 120.400 0.083 0.000 2.348 318 D HA -0.096 4.544 4.640 -0.000 0.000 0.216 318 D C 1.127 177.511 176.300 0.140 0.000 0.970 318 D CA 0.923 54.989 54.000 0.110 0.000 0.889 318 D CB -0.022 40.909 40.800 0.219 0.000 0.912 318 D HN 0.525 nan 8.370 nan 0.000 0.524 319 D N 0.474 120.979 120.400 0.174 0.000 2.349 319 D HA -0.002 4.638 4.640 -0.000 0.000 0.214 319 D C 0.446 176.851 176.300 0.176 0.000 1.063 319 D CA 0.211 54.389 54.000 0.297 0.000 0.847 319 D CB 0.443 41.474 40.800 0.386 0.000 0.933 319 D HN 0.090 nan 8.370 nan 0.000 0.513 320 Q N 0.737 120.520 119.800 -0.027 0.000 2.304 320 Q HA 0.198 4.538 4.340 -0.000 0.000 0.260 320 Q C -0.013 175.909 176.000 -0.131 0.000 0.965 320 Q CA -0.271 55.450 55.803 -0.136 0.000 0.898 320 Q CB 1.878 30.409 28.738 -0.345 0.000 1.196 320 Q HN -0.106 nan 8.270 nan 0.000 0.402 321 V N 3.733 123.577 119.914 -0.118 0.000 2.372 321 V HA 0.150 4.270 4.120 -0.000 0.000 0.261 321 V C 0.704 176.792 176.094 -0.010 0.000 1.055 321 V CA -0.391 61.808 62.300 -0.168 0.000 0.930 321 V CB 0.236 31.788 31.823 -0.452 0.000 1.031 321 V HN 0.844 nan 8.190 nan 0.000 0.479 322 T N 3.025 117.480 114.554 -0.165 0.000 2.899 322 T HA 0.818 5.168 4.350 -0.000 0.000 0.284 322 T C -0.593 174.164 174.700 0.095 0.000 1.004 322 T CA -0.425 61.490 62.100 -0.308 0.000 1.043 322 T CB 1.443 69.694 68.868 -1.029 0.000 1.013 322 T HN 0.651 nan 8.240 nan 0.000 0.518 323 F N -0.814 119.091 119.950 -0.075 0.000 2.807 323 F HA 0.539 5.066 4.527 -0.000 0.000 0.316 323 F C 0.021 175.912 175.800 0.152 0.000 1.162 323 F CA -1.480 56.544 58.000 0.039 0.000 0.910 323 F CB 0.658 39.678 39.000 0.035 0.000 1.314 323 F HN 0.575 nan 8.300 nan 0.000 0.454 324 I N -1.627 119.083 120.570 0.233 0.000 4.181 324 I HA 0.470 4.640 4.170 -0.000 0.000 0.331 324 I C -0.875 175.469 176.117 0.378 0.000 1.312 324 I CA 0.132 61.555 61.300 0.204 0.000 1.146 324 I CB 0.573 38.569 38.000 -0.007 0.000 1.074 324 I HN 0.664 nan 8.210 nan 0.000 0.402 325 D N 0.682 121.354 120.400 0.452 0.000 2.738 325 D HA 0.372 5.012 4.640 -0.000 0.000 0.308 325 D C -1.116 175.293 176.300 0.183 0.000 1.311 325 D CA -0.598 53.624 54.000 0.370 0.000 0.799 325 D CB 0.626 41.615 40.800 0.315 0.000 1.332 325 D HN 0.317 nan 8.370 nan 0.000 0.441 326 N N -2.907 115.703 118.700 -0.149 0.000 3.449 326 N HA 0.178 4.918 4.740 -0.000 0.000 0.312 326 N C 0.422 175.434 175.510 -0.830 0.000 1.557 326 N CA -0.520 52.127 53.050 -0.672 0.000 0.864 326 N CB -0.157 38.132 38.487 -0.329 0.000 1.799 326 N HN 0.561 nan 8.380 nan 0.000 0.554 327 H N -1.777 116.825 119.070 -0.779 0.000 2.563 327 H HA 0.210 4.766 4.556 -0.000 0.000 0.272 327 H C -0.782 174.496 175.328 -0.083 0.000 1.005 327 H CA 0.687 56.535 56.048 -0.334 0.000 1.171 327 H CB -0.314 29.423 29.762 -0.042 0.000 1.351 327 H HN 0.528 nan 8.280 nan 0.000 0.602 328 D N 0.516 120.687 120.400 -0.381 0.000 2.501 328 D HA 0.255 4.895 4.640 -0.000 0.000 0.224 328 D C 0.245 176.539 176.300 -0.010 0.000 1.202 328 D CA 0.042 53.928 54.000 -0.189 0.000 0.829 328 D CB 0.809 41.483 40.800 -0.209 0.000 1.023 328 D HN 0.356 nan 8.370 nan 0.000 0.499 329 M N 0.075 119.680 119.600 0.008 0.000 2.618 329 M HA 0.285 4.765 4.480 -0.000 0.000 0.281 329 M C -0.427 175.912 176.300 0.066 0.000 1.267 329 M CA -0.824 54.531 55.300 0.090 0.000 0.845 329 M CB 2.785 35.488 32.600 0.172 0.000 1.732 329 M HN -0.301 nan 8.290 nan 0.000 0.461 330 E N 1.748 121.992 120.200 0.073 0.000 2.373 330 E HA 0.187 4.537 4.350 -0.000 0.000 0.267 330 E C -0.528 176.133 176.600 0.102 0.000 1.032 330 E CA -0.468 55.971 56.400 0.065 0.000 0.889 330 E CB 0.620 30.340 29.700 0.035 0.000 0.984 330 E HN 0.287 nan 8.360 nan 0.000 0.425 331 R N 1.652 122.227 120.500 0.125 0.000 2.619 331 R HA -0.118 4.222 4.340 -0.000 0.000 0.268 331 R C 0.914 177.342 176.300 0.213 0.000 0.990 331 R CA 0.278 56.495 56.100 0.196 0.000 1.092 331 R CB -0.030 30.377 30.300 0.178 0.000 0.935 331 R HN 0.635 nan 8.270 nan 0.000 0.415 332 F N 1.999 122.043 119.950 0.158 0.000 2.126 332 F HA -0.196 4.331 4.527 -0.000 0.000 0.299 332 F C 1.271 177.179 175.800 0.181 0.000 1.096 332 F CA 1.573 59.668 58.000 0.158 0.000 1.255 332 F CB -0.283 38.815 39.000 0.164 0.000 0.997 332 F HN 0.559 nan 8.300 nan 0.000 0.479 333 H N 0.852 120.150 119.070 0.380 0.000 2.864 333 H HA 0.495 5.051 4.556 -0.000 0.000 0.281 333 H C -0.374 175.036 175.328 0.137 0.000 1.093 333 H CA -0.574 55.644 56.048 0.283 0.000 1.453 333 H CB 0.264 30.220 29.762 0.324 0.000 1.462 333 H HN 0.246 nan 8.280 nan 0.000 0.480 334 A N 3.844 126.460 122.820 -0.339 0.000 2.327 334 A HA 0.259 4.579 4.320 -0.000 0.000 0.283 334 A C 1.404 178.676 177.584 -0.519 0.000 1.127 334 A CA -0.021 51.830 52.037 -0.309 0.000 0.810 334 A CB 0.435 19.324 19.000 -0.185 0.000 1.066 334 A HN 0.926 nan 8.150 nan 0.000 0.492 335 S N 1.623 117.157 115.700 -0.277 0.000 2.389 335 S HA -0.203 4.267 4.470 -0.000 0.000 0.231 335 S C 1.532 176.045 174.600 -0.145 0.000 1.052 335 S CA 2.007 60.099 58.200 -0.179 0.000 1.053 335 S CB -0.358 62.800 63.200 -0.069 0.000 0.886 335 S HN 0.941 nan 8.310 nan 0.000 0.456 336 N N 1.209 119.835 118.700 -0.124 0.000 2.268 336 N HA 0.309 5.049 4.740 -0.000 0.000 0.204 336 N C -0.081 175.396 175.510 -0.055 0.000 1.124 336 N CA 0.168 53.178 53.050 -0.066 0.000 0.838 336 N CB -0.041 38.419 38.487 -0.045 0.000 0.994 336 N HN 0.318 nan 8.380 nan 0.000 0.489 337 A N 0.662 123.422 122.820 -0.099 0.000 2.279 337 A HA 0.307 4.627 4.320 -0.000 0.000 0.303 337 A C 0.196 177.849 177.584 0.114 0.000 1.108 337 A CA -0.690 51.341 52.037 -0.011 0.000 0.830 337 A CB 0.515 19.495 19.000 -0.034 0.000 1.106 337 A HN 0.270 nan 8.150 nan 0.000 0.493 338 N N 0.343 119.115 118.700 0.120 0.000 2.475 338 N HA 0.026 4.766 4.740 -0.000 0.000 0.267 338 N C 0.944 176.569 175.510 0.192 0.000 1.169 338 N CA 0.048 53.172 53.050 0.123 0.000 0.947 338 N CB 0.567 39.109 38.487 0.092 0.000 1.061 338 N HN 0.623 nan 8.380 nan 0.000 0.466 339 R N 2.188 122.753 120.500 0.108 0.000 2.193 339 R HA -0.134 4.206 4.340 -0.000 0.000 0.229 339 R C 1.475 177.843 176.300 0.112 0.000 1.110 339 R CA 0.798 56.902 56.100 0.007 0.000 0.988 339 R CB 0.020 30.095 30.300 -0.376 0.000 0.871 339 R HN 0.458 nan 8.270 nan 0.000 0.458 340 R N 1.847 122.411 120.500 0.106 0.000 2.152 340 R HA -0.085 4.255 4.340 -0.000 0.000 0.232 340 R C 1.471 177.862 176.300 0.152 0.000 1.117 340 R CA 1.528 57.695 56.100 0.111 0.000 0.981 340 R CB -0.085 30.270 30.300 0.091 0.000 0.870 340 R HN 0.126 nan 8.270 nan 0.000 0.451 341 K N -0.026 120.511 120.400 0.228 0.000 2.057 341 K HA -0.148 4.172 4.320 -0.000 0.000 0.207 341 K C 2.068 178.864 176.600 0.327 0.000 1.049 341 K CA 1.607 58.095 56.287 0.334 0.000 0.931 341 K CB -0.366 32.373 32.500 0.400 0.000 0.714 341 K HN 0.251 nan 8.250 nan 0.000 0.440 342 L N 1.651 123.069 121.223 0.325 0.000 2.056 342 L HA -0.171 4.169 4.340 -0.000 0.000 0.207 342 L C 2.021 178.815 176.870 -0.127 0.000 1.078 342 L CA 1.513 56.370 54.840 0.030 0.000 0.749 342 L CB -0.081 42.118 42.059 0.233 0.000 0.901 342 L HN 0.136 nan 8.230 nan 0.000 0.433 343 E N -0.475 119.733 120.200 0.014 0.000 2.077 343 E HA -0.276 4.074 4.350 -0.000 0.000 0.193 343 E C 2.210 178.755 176.600 -0.092 0.000 0.989 343 E CA 1.639 58.028 56.400 -0.019 0.000 0.800 343 E CB -0.129 29.605 29.700 0.057 0.000 0.746 343 E HN 0.640 nan 8.360 nan 0.000 0.452 344 Q N 0.175 119.916 119.800 -0.098 0.000 2.046 344 Q HA -0.113 4.226 4.340 -0.000 0.000 0.200 344 Q C 2.348 178.076 176.000 -0.453 0.000 0.975 344 Q CA 1.207 56.900 55.803 -0.183 0.000 0.836 344 Q CB -0.188 28.503 28.738 -0.078 0.000 0.896 344 Q HN 0.252 nan 8.270 nan 0.000 0.428 345 A N 0.842 123.283 122.820 -0.632 0.000 1.940 345 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 345 A C 2.030 179.399 177.584 -0.357 0.000 1.176 345 A CA 1.073 52.653 52.037 -0.762 0.000 0.631 345 A CB -0.491 17.994 19.000 -0.858 0.000 0.814 345 A HN 0.274 nan 8.150 nan 0.000 0.446 346 L N -0.444 120.598 121.223 -0.301 0.000 2.027 346 L HA -0.014 4.326 4.340 -0.000 0.000 0.206 346 L C 2.831 179.640 176.870 -0.101 0.000 1.074 346 L CA 2.038 56.774 54.840 -0.173 0.000 0.745 346 L CB -0.904 41.059 42.059 -0.161 0.000 0.898 346 L HN 0.352 nan 8.230 nan 0.000 0.433 347 A N -1.281 121.482 122.820 -0.096 0.000 1.933 347 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 347 A C 2.271 179.867 177.584 0.020 0.000 1.175 347 A CA 1.860 53.865 52.037 -0.052 0.000 0.628 347 A CB -1.091 17.877 19.000 -0.053 0.000 0.814 347 A HN 0.500 nan 8.150 nan 0.000 0.444 348 F N 1.312 121.193 119.950 -0.115 0.000 2.113 348 F HA -0.126 4.401 4.527 -0.000 0.000 0.297 348 F C 2.435 178.292 175.800 0.095 0.000 1.103 348 F CA 2.265 60.270 58.000 0.009 0.000 1.248 348 F CB -0.728 38.169 39.000 -0.173 0.000 0.999 348 F HN 0.194 nan 8.300 nan 0.000 0.475 349 T N 1.539 116.101 114.554 0.013 0.000 2.746 349 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 349 T C 2.136 176.750 174.700 -0.143 0.000 1.039 349 T CA 1.704 63.795 62.100 -0.015 0.000 1.142 349 T CB -0.554 68.363 68.868 0.081 0.000 0.866 349 T HN 0.244 nan 8.240 nan 0.000 0.444 350 L N 1.379 122.539 121.223 -0.105 0.000 2.265 350 L HA -0.047 4.293 4.340 -0.000 0.000 0.215 350 L C 2.514 179.311 176.870 -0.123 0.000 1.117 350 L CA 1.289 56.060 54.840 -0.115 0.000 0.782 350 L CB -0.736 41.264 42.059 -0.098 0.000 0.914 350 L HN 0.445 nan 8.230 nan 0.000 0.441 351 T N -6.069 108.421 114.554 -0.107 0.000 3.044 351 T HA 0.204 4.554 4.350 -0.000 0.000 0.260 351 T C 0.742 175.417 174.700 -0.041 0.000 1.019 351 T CA -0.309 61.757 62.100 -0.056 0.000 0.921 351 T CB 0.359 69.231 68.868 0.007 0.000 1.053 351 T HN -0.015 nan 8.240 nan 0.000 0.533 352 S N 2.322 117.902 115.700 -0.200 0.000 2.713 352 S HA 0.597 5.067 4.470 -0.000 0.000 0.283 352 S C 0.393 174.872 174.600 -0.202 0.000 1.161 352 S CA -1.063 56.980 58.200 -0.263 0.000 0.999 352 S CB 0.925 63.839 63.200 -0.478 0.000 1.039 352 S HN 0.609 nan 8.310 nan 0.000 0.548 353 R N 0.681 121.092 120.500 -0.149 0.000 2.784 353 R HA 0.530 4.870 4.340 -0.000 0.000 0.266 353 R C 0.607 176.791 176.300 -0.195 0.000 1.044 353 R CA 0.633 56.661 56.100 -0.120 0.000 1.151 353 R CB -1.276 29.000 30.300 -0.040 0.000 1.037 353 R HN 0.951 nan 8.270 nan 0.000 0.478 354 G N -0.092 108.618 108.800 -0.149 0.000 2.418 354 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.206 354 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.206 354 G C -1.462 173.327 174.900 -0.184 0.000 1.202 354 G CA -0.310 44.690 45.100 -0.167 0.000 1.061 354 G HN 0.732 nan 8.290 nan 0.000 0.563 355 V N 2.941 122.736 119.914 -0.198 0.000 2.385 355 V HA 0.499 4.619 4.120 -0.000 0.000 0.277 355 V C -1.985 174.005 176.094 -0.174 0.000 1.012 355 V CA -0.776 61.411 62.300 -0.189 0.000 0.832 355 V CB 1.710 33.416 31.823 -0.195 0.000 1.028 355 V HN 0.700 nan 8.190 nan 0.000 0.436 356 P HA 0.330 nan 4.420 nan 0.000 0.271 356 P C -0.613 176.688 177.300 0.001 0.000 1.216 356 P CA 0.146 63.183 63.100 -0.105 0.000 0.771 356 P CB 1.578 33.208 31.700 -0.116 0.000 0.864 357 A N 4.620 127.492 122.820 0.086 0.000 2.343 357 A HA 0.683 5.003 4.320 -0.000 0.000 0.316 357 A C -0.396 177.302 177.584 0.190 0.000 1.104 357 A CA -0.866 51.283 52.037 0.187 0.000 0.768 357 A CB 0.767 19.945 19.000 0.297 0.000 1.213 357 A HN 0.473 nan 8.150 nan 0.000 0.456 358 I N 2.566 123.231 120.570 0.159 0.000 2.382 358 I HA 0.182 4.352 4.170 -0.000 0.000 0.286 358 I C -0.854 175.283 176.117 0.033 0.000 1.002 358 I CA -0.707 60.667 61.300 0.123 0.000 1.135 358 I CB 1.327 39.409 38.000 0.138 0.000 1.288 358 I HN 0.717 nan 8.210 nan 0.000 0.448 359 Y N 8.729 128.977 120.300 -0.088 0.000 2.569 359 Y HA 0.026 4.576 4.550 -0.000 0.000 0.332 359 Y C 0.152 175.872 175.900 -0.300 0.000 1.120 359 Y CA -0.910 57.086 58.100 -0.174 0.000 1.416 359 Y CB -0.032 38.382 38.460 -0.077 0.000 1.210 359 Y HN 0.456 nan 8.280 nan 0.000 0.528 360 Y N 4.195 124.049 120.300 -0.744 0.000 2.904 360 Y HA 0.281 4.831 4.550 -0.000 0.000 0.336 360 Y C 1.131 176.837 175.900 -0.324 0.000 1.263 360 Y CA -0.190 57.499 58.100 -0.686 0.000 1.547 360 Y CB -0.025 38.113 38.460 -0.536 0.000 1.272 360 Y HN 0.926 nan 8.280 nan 0.000 0.596 361 G N 1.996 110.732 108.800 -0.107 0.000 2.217 361 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.246 361 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.246 361 G C 0.888 175.709 174.900 -0.132 0.000 0.990 361 G CA 0.445 45.440 45.100 -0.176 0.000 0.627 361 G HN 0.870 nan 8.290 nan 0.000 0.522 362 T N 1.780 116.260 114.554 -0.123 0.000 2.759 362 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 362 T C 2.099 176.712 174.700 -0.145 0.000 1.042 362 T CA 1.896 63.956 62.100 -0.067 0.000 1.140 362 T CB -0.257 68.605 68.868 -0.010 0.000 0.864 362 T HN 0.793 nan 8.240 nan 0.000 0.455 363 E N 0.984 121.144 120.200 -0.068 0.000 2.478 363 E HA -0.113 4.237 4.350 -0.000 0.000 0.198 363 E C 1.174 177.642 176.600 -0.220 0.000 1.046 363 E CA 0.725 57.043 56.400 -0.137 0.000 0.870 363 E CB -0.083 29.655 29.700 0.064 0.000 0.818 363 E HN 0.389 nan 8.360 nan 0.000 0.527 364 Q N -0.243 119.473 119.800 -0.141 0.000 2.179 364 Q HA 0.084 4.424 4.340 -0.000 0.000 0.213 364 Q C -0.578 175.428 176.000 0.010 0.000 0.833 364 Q CA -0.462 55.310 55.803 -0.053 0.000 0.990 364 Q CB -0.120 28.643 28.738 0.041 0.000 1.132 364 Q HN 0.299 nan 8.270 nan 0.000 0.493 365 Y N -1.364 118.940 120.300 0.006 0.000 3.929 365 Y HA -0.281 4.269 4.550 -0.000 0.000 0.225 365 Y C 0.337 176.309 175.900 0.120 0.000 1.200 365 Y CA 0.234 58.314 58.100 -0.033 0.000 1.791 365 Y CB -2.616 35.751 38.460 -0.157 0.000 1.561 365 Y HN 0.211 nan 8.280 nan 0.000 0.657 366 M N 0.300 119.990 119.600 0.150 0.000 2.248 366 M HA 0.151 4.631 4.480 -0.000 0.000 0.345 366 M C 0.670 177.075 176.300 0.175 0.000 1.243 366 M CA 1.046 56.412 55.300 0.109 0.000 1.090 366 M CB 0.423 32.998 32.600 -0.043 0.000 1.683 366 M HN 0.237 nan 8.290 nan 0.000 0.450 367 S N 1.066 116.852 115.700 0.142 0.000 2.607 367 S HA 0.946 5.416 4.470 -0.000 0.000 0.303 367 S C -0.096 174.539 174.600 0.059 0.000 1.086 367 S CA -0.752 57.512 58.200 0.106 0.000 0.995 367 S CB 2.177 65.410 63.200 0.056 0.000 1.084 367 S HN 0.954 nan 8.310 nan 0.000 0.507 368 G N -0.176 108.652 108.800 0.048 0.000 2.378 368 G HA2 0.479 4.439 3.960 -0.000 0.000 0.302 368 G HA3 0.479 4.439 3.960 -0.000 0.000 0.302 368 G C -0.277 174.645 174.900 0.037 0.000 1.669 368 G CA -0.325 44.797 45.100 0.037 0.000 0.920 368 G HN 0.884 nan 8.290 nan 0.000 0.697 369 G N -0.251 108.562 108.800 0.022 0.000 2.485 369 G HA2 0.669 4.629 3.960 -0.000 0.000 0.260 369 G HA3 0.669 4.629 3.960 -0.000 0.000 0.260 369 G C 0.997 175.912 174.900 0.025 0.000 1.459 369 G CA 0.694 45.805 45.100 0.018 0.000 1.060 369 G HN 1.673 nan 8.290 nan 0.000 0.546 370 T N -1.665 112.897 114.554 0.014 0.000 2.748 370 T HA 0.226 4.576 4.350 -0.000 0.000 0.304 370 T C 0.284 174.991 174.700 0.010 0.000 1.041 370 T CA 0.114 62.219 62.100 0.008 0.000 1.033 370 T CB 0.722 69.585 68.868 -0.009 0.000 0.995 370 T HN 0.539 nan 8.240 nan 0.000 0.536 371 D N 1.911 122.315 120.400 0.006 0.000 2.730 371 D HA -0.006 4.634 4.640 -0.000 0.000 0.225 371 D C -0.989 175.330 176.300 0.031 0.000 1.107 371 D CA -1.125 52.892 54.000 0.028 0.000 0.837 371 D CB 0.582 41.393 40.800 0.019 0.000 1.171 371 D HN 0.419 nan 8.370 nan 0.000 0.498 372 P HA 0.105 nan 4.420 nan 0.000 0.267 372 P C 0.088 177.409 177.300 0.035 0.000 1.289 372 P CA -0.083 63.061 63.100 0.073 0.000 0.866 372 P CB 0.491 32.241 31.700 0.084 0.000 1.309 373 D N 1.533 121.948 120.400 0.025 0.000 2.309 373 D HA -0.105 4.535 4.640 -0.000 0.000 0.212 373 D C 1.007 177.326 176.300 0.032 0.000 0.968 373 D CA 0.935 54.946 54.000 0.019 0.000 0.882 373 D CB -0.119 40.690 40.800 0.015 0.000 0.918 373 D HN 0.388 nan 8.370 nan 0.000 0.503 374 N N -0.007 118.723 118.700 0.050 0.000 2.336 374 N HA -0.036 4.704 4.740 -0.000 0.000 0.189 374 N C 0.500 176.074 175.510 0.108 0.000 1.113 374 N CA 0.010 53.116 53.050 0.093 0.000 0.858 374 N CB -0.037 38.522 38.487 0.120 0.000 0.970 374 N HN 0.043 nan 8.380 nan 0.000 0.471 375 R N 0.133 120.662 120.500 0.048 0.000 2.767 375 R HA 0.457 4.797 4.340 -0.000 0.000 0.377 375 R C -0.220 176.134 176.300 0.091 0.000 1.151 375 R CA -0.360 55.760 56.100 0.033 0.000 1.046 375 R CB 0.778 31.012 30.300 -0.110 0.000 1.404 375 R HN 0.130 nan 8.270 nan 0.000 0.580 376 A N 1.437 124.300 122.820 0.072 0.000 2.346 376 A HA 0.210 4.530 4.320 -0.000 0.000 0.252 376 A C 0.196 177.865 177.584 0.142 0.000 1.089 376 A CA -0.389 51.682 52.037 0.057 0.000 0.797 376 A CB 0.315 19.325 19.000 0.016 0.000 1.047 376 A HN 0.459 nan 8.150 nan 0.000 0.494 377 R N 0.979 121.529 120.500 0.082 0.000 2.590 377 R HA 0.220 4.560 4.340 -0.000 0.000 0.274 377 R C -0.059 176.294 176.300 0.089 0.000 1.061 377 R CA -0.251 55.907 56.100 0.097 0.000 1.081 377 R CB 0.158 30.466 30.300 0.013 0.000 0.984 377 R HN 0.700 nan 8.270 nan 0.000 0.448 378 I N 7.361 128.019 120.570 0.146 0.000 2.742 378 I HA 0.012 4.182 4.170 -0.000 0.000 0.287 378 I C -1.296 174.694 176.117 -0.212 0.000 1.186 378 I CA -1.472 59.834 61.300 0.010 0.000 1.417 378 I CB 1.184 39.207 38.000 0.038 0.000 1.377 378 I HN 0.733 nan 8.210 nan 0.000 0.556 379 P HA 0.005 nan 4.420 nan 0.000 0.236 379 P C 0.024 177.180 177.300 -0.241 0.000 1.177 379 P CA 0.437 63.438 63.100 -0.166 0.000 0.773 379 P CB 0.352 32.007 31.700 -0.075 0.000 0.878 380 S N -1.257 114.224 115.700 -0.366 0.000 2.567 380 S HA 0.535 5.005 4.470 -0.000 0.000 0.270 380 S C -1.550 172.730 174.600 -0.533 0.000 1.152 380 S CA -0.560 57.428 58.200 -0.354 0.000 0.835 380 S CB 0.306 63.438 63.200 -0.115 0.000 1.115 380 S HN -0.196 nan 8.310 nan 0.000 0.459 381 F N 2.142 121.993 119.950 -0.166 0.000 2.881 381 F HA 0.436 4.963 4.527 0.000 0.000 0.343 381 F C 0.927 176.728 175.800 0.001 0.000 1.233 381 F CA -0.458 57.343 58.000 -0.332 0.000 1.262 381 F CB 0.768 39.460 39.000 -0.514 0.000 0.980 381 F HN 0.474 nan 8.300 nan 0.000 0.506 382 S N 0.213 116.011 115.700 0.163 0.000 2.565 382 S HA 0.236 4.706 4.470 -0.000 0.000 0.276 382 S C 1.309 175.841 174.600 -0.113 0.000 1.326 382 S CA 0.201 58.432 58.200 0.051 0.000 1.045 382 S CB 0.699 63.910 63.200 0.020 0.000 0.918 382 S HN 0.466 nan 8.310 nan 0.000 0.505 383 T N 1.079 115.415 114.554 -0.363 0.000 3.105 383 T HA 0.205 4.555 4.350 -0.000 0.000 0.253 383 T C 1.040 175.401 174.700 -0.564 0.000 1.047 383 T CA -0.019 61.445 62.100 -1.061 0.000 0.944 383 T CB 0.008 68.409 68.868 -0.778 0.000 1.016 383 T HN 0.385 nan 8.240 nan 0.000 0.544 384 S N 2.120 117.684 115.700 -0.227 0.000 2.575 384 S HA 0.140 4.610 4.470 -0.000 0.000 0.215 384 S C 1.102 175.712 174.600 0.017 0.000 0.966 384 S CA 0.011 58.166 58.200 -0.074 0.000 0.911 384 S CB -0.095 63.084 63.200 -0.035 0.000 0.780 384 S HN 0.879 nan 8.310 nan 0.000 0.514 385 T N -0.152 114.434 114.554 0.053 0.000 2.918 385 T HA 0.163 4.513 4.350 -0.000 0.000 0.302 385 T C 1.325 176.127 174.700 0.171 0.000 1.045 385 T CA -0.185 62.014 62.100 0.165 0.000 1.114 385 T CB 0.878 69.849 68.868 0.172 0.000 0.965 385 T HN -0.023 nan 8.240 nan 0.000 0.540 386 T N 2.205 116.891 114.554 0.221 0.000 2.720 386 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 386 T C 2.376 177.150 174.700 0.123 0.000 1.037 386 T CA 1.513 63.714 62.100 0.169 0.000 1.144 386 T CB -0.790 68.188 68.868 0.183 0.000 0.864 386 T HN 0.840 nan 8.240 nan 0.000 0.444 387 A N 0.320 123.188 122.820 0.080 0.000 1.933 387 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 387 A C 2.078 179.637 177.584 -0.042 0.000 1.175 387 A CA 1.538 53.525 52.037 -0.082 0.000 0.628 387 A CB -0.976 17.773 19.000 -0.419 0.000 0.814 387 A HN 0.594 nan 8.150 nan 0.000 0.444 388 Y N 0.483 120.715 120.300 -0.113 0.000 2.181 388 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 388 Y C 2.523 178.378 175.900 -0.075 0.000 1.146 388 Y CA 2.281 60.326 58.100 -0.091 0.000 1.164 388 Y CB -0.396 38.029 38.460 -0.059 0.000 0.982 388 Y HN 0.439 nan 8.280 nan 0.000 0.515 389 Q N -0.981 118.949 119.800 0.217 0.000 2.124 389 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 389 Q C 2.310 178.317 176.000 0.010 0.000 0.977 389 Q CA 1.711 57.588 55.803 0.122 0.000 0.850 389 Q CB -0.223 28.575 28.738 0.100 0.000 0.901 389 Q HN 0.376 nan 8.270 nan 0.000 0.429 390 V N 1.077 120.985 119.914 -0.011 0.000 2.295 390 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 390 V C 2.099 178.139 176.094 -0.090 0.000 1.049 390 V CA 1.729 64.000 62.300 -0.048 0.000 1.024 390 V CB -0.436 31.358 31.823 -0.048 0.000 0.648 390 V HN 0.367 nan 8.190 nan 0.000 0.447 391 I N -0.371 120.120 120.570 -0.132 0.000 2.286 391 I HA -0.292 3.878 4.170 -0.000 0.000 0.248 391 I C 2.618 178.619 176.117 -0.194 0.000 1.115 391 I CA 1.708 62.901 61.300 -0.178 0.000 1.392 391 I CB -0.404 37.447 38.000 -0.247 0.000 1.065 391 I HN 0.397 nan 8.210 nan 0.000 0.418 392 Q N 1.507 121.186 119.800 -0.202 0.000 2.084 392 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 392 Q C 2.049 177.990 176.000 -0.098 0.000 0.978 392 Q CA 1.592 57.301 55.803 -0.157 0.000 0.844 392 Q CB 0.144 28.841 28.738 -0.069 0.000 0.898 392 Q HN 0.455 nan 8.270 nan 0.000 0.426 393 K N -0.411 119.943 120.400 -0.077 0.000 2.243 393 K HA 0.023 4.343 4.320 -0.000 0.000 0.201 393 K C 1.899 178.449 176.600 -0.082 0.000 1.051 393 K CA 0.608 56.855 56.287 -0.067 0.000 0.970 393 K CB 0.309 32.778 32.500 -0.053 0.000 0.755 393 K HN 0.242 nan 8.250 nan 0.000 0.465 394 L N -0.251 120.914 121.223 -0.096 0.000 2.357 394 L HA 0.143 4.483 4.340 -0.000 0.000 0.211 394 L C 2.443 179.246 176.870 -0.112 0.000 1.075 394 L CA 0.260 55.039 54.840 -0.102 0.000 0.830 394 L CB -0.317 41.682 42.059 -0.101 0.000 0.996 394 L HN 0.072 nan 8.230 nan 0.000 0.467 395 A N 1.360 124.107 122.820 -0.121 0.000 1.883 395 A HA -0.136 4.184 4.320 -0.000 0.000 0.217 395 A C -0.183 177.324 177.584 -0.128 0.000 1.186 395 A CA 1.774 53.735 52.037 -0.127 0.000 0.624 395 A CB -1.786 17.132 19.000 -0.138 0.000 0.822 395 A HN 0.253 nan 8.150 nan 0.000 0.444 396 P HA -0.100 nan 4.420 nan 0.000 0.222 396 P C 1.231 178.461 177.300 -0.116 0.000 1.147 396 P CA 0.670 63.703 63.100 -0.113 0.000 0.790 396 P CB -0.152 31.491 31.700 -0.095 0.000 0.780 397 L N -0.981 120.175 121.223 -0.113 0.000 2.191 397 L HA -0.146 4.194 4.340 -0.000 0.000 0.212 397 L C 2.386 179.170 176.870 -0.143 0.000 1.103 397 L CA 1.324 56.097 54.840 -0.112 0.000 0.769 397 L CB -0.635 41.364 42.059 -0.101 0.000 0.908 397 L HN -0.004 nan 8.230 nan 0.000 0.438 398 R N -0.180 120.219 120.500 -0.168 0.000 2.189 398 R HA -0.086 4.254 4.340 -0.000 0.000 0.223 398 R C 2.052 178.199 176.300 -0.254 0.000 1.092 398 R CA 0.634 56.598 56.100 -0.226 0.000 0.989 398 R CB -0.034 30.128 30.300 -0.230 0.000 0.876 398 R HN 0.312 nan 8.270 nan 0.000 0.457 399 K N 0.096 120.378 120.400 -0.197 0.000 2.141 399 K HA 0.027 4.347 4.320 -0.000 0.000 0.202 399 K C 2.175 178.686 176.600 -0.148 0.000 1.045 399 K CA 1.387 57.565 56.287 -0.181 0.000 0.971 399 K CB -0.021 32.389 32.500 -0.150 0.000 0.795 399 K HN 0.131 nan 8.250 nan 0.000 0.459 400 S N 0.713 116.339 115.700 -0.124 0.000 2.446 400 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 400 S C 0.878 175.422 174.600 -0.094 0.000 1.016 400 S CA 0.266 58.408 58.200 -0.097 0.000 0.943 400 S CB -0.088 63.064 63.200 -0.080 0.000 0.786 400 S HN 0.055 nan 8.310 nan 0.000 0.508 401 N N 2.366 121.001 118.700 -0.109 0.000 2.626 401 N HA 0.357 5.097 4.740 -0.000 0.000 0.242 401 N C -2.266 173.169 175.510 -0.125 0.000 1.005 401 N CA -2.235 50.762 53.050 -0.088 0.000 0.905 401 N CB 1.862 40.308 38.487 -0.068 0.000 1.128 401 N HN 0.046 nan 8.380 nan 0.000 0.512 402 P HA -0.104 nan 4.420 nan 0.000 0.223 402 P C 0.885 178.095 177.300 -0.149 0.000 1.144 402 P CA 0.615 63.606 63.100 -0.182 0.000 0.783 402 P CB 0.401 32.140 31.700 0.064 0.000 0.771 403 A N 0.244 123.079 122.820 0.025 0.000 1.930 403 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 403 A C 2.285 179.862 177.584 -0.011 0.000 1.175 403 A CA 1.125 53.221 52.037 0.099 0.000 0.627 403 A CB -1.320 17.751 19.000 0.118 0.000 0.815 403 A HN 0.162 nan 8.150 nan 0.000 0.443 404 I N -0.802 119.713 120.570 -0.091 0.000 2.500 404 I HA -0.141 4.029 4.170 -0.000 0.000 0.252 404 I C 2.789 178.771 176.117 -0.225 0.000 1.142 404 I CA 0.831 62.059 61.300 -0.120 0.000 1.451 404 I CB -0.175 37.752 38.000 -0.122 0.000 1.093 404 I HN 0.349 nan 8.210 nan 0.000 0.430 405 A N 0.096 122.674 122.820 -0.404 0.000 1.903 405 A HA -0.097 4.223 4.320 -0.000 0.000 0.213 405 A C 1.586 178.788 177.584 -0.637 0.000 1.185 405 A CA 1.349 52.987 52.037 -0.665 0.000 0.628 405 A CB -0.323 18.011 19.000 -1.110 0.000 0.830 405 A HN 0.449 nan 8.150 nan 0.000 0.446 406 Y N -0.803 119.309 120.300 -0.314 0.000 2.471 406 Y HA 0.358 4.908 4.550 -0.000 0.000 0.249 406 Y C 1.551 177.372 175.900 -0.132 0.000 1.116 406 Y CA -0.961 56.935 58.100 -0.339 0.000 1.240 406 Y CB -0.667 37.276 38.460 -0.863 0.000 1.251 406 Y HN 0.215 nan 8.280 nan 0.000 0.527 407 G N 1.156 110.003 108.800 0.077 0.000 2.614 407 G HA2 0.307 4.267 3.960 -0.000 0.000 0.239 407 G HA3 0.307 4.267 3.960 -0.000 0.000 0.239 407 G C 0.359 175.362 174.900 0.173 0.000 1.240 407 G CA -0.027 45.199 45.100 0.209 0.000 0.842 407 G HN 0.262 nan 8.290 nan 0.000 0.584 408 S N -0.485 115.328 115.700 0.189 0.000 2.624 408 S HA 0.558 5.028 4.470 -0.000 0.000 0.263 408 S C 0.069 174.750 174.600 0.136 0.000 1.287 408 S CA -0.406 57.881 58.200 0.145 0.000 0.990 408 S CB 1.454 64.734 63.200 0.134 0.000 0.950 408 S HN 0.561 nan 8.310 nan 0.000 0.561 409 T N 1.686 116.313 114.554 0.121 0.000 2.812 409 T HA 0.520 4.870 4.350 -0.000 0.000 0.282 409 T C -0.906 173.878 174.700 0.140 0.000 0.990 409 T CA -0.514 61.668 62.100 0.138 0.000 0.960 409 T CB 1.249 70.172 68.868 0.092 0.000 0.948 409 T HN 0.697 nan 8.240 nan 0.000 0.438 410 Q N 2.361 122.269 119.800 0.180 0.000 2.285 410 Q HA 0.267 4.607 4.340 -0.000 0.000 0.269 410 Q C -1.019 175.106 176.000 0.208 0.000 1.030 410 Q CA -0.714 55.186 55.803 0.162 0.000 0.788 410 Q CB 1.667 30.485 28.738 0.134 0.000 1.266 410 Q HN 0.597 nan 8.270 nan 0.000 0.438 411 E N 3.906 124.215 120.200 0.181 0.000 2.324 411 E HA 0.054 4.404 4.350 -0.000 0.000 0.271 411 E C -0.344 176.366 176.600 0.183 0.000 1.028 411 E CA 0.307 56.829 56.400 0.203 0.000 0.890 411 E CB 0.641 30.429 29.700 0.147 0.000 1.004 411 E HN 0.709 nan 8.360 nan 0.000 0.431 412 R N 3.415 124.052 120.500 0.229 0.000 2.446 412 R HA 0.146 4.486 4.340 -0.000 0.000 0.254 412 R C -0.294 176.192 176.300 0.309 0.000 0.918 412 R CA -0.135 56.099 56.100 0.223 0.000 1.069 412 R CB 0.869 31.297 30.300 0.214 0.000 1.194 412 R HN 0.528 nan 8.270 nan 0.000 0.534 413 W N 0.592 121.952 121.300 0.099 0.000 3.818 413 W HA 0.541 5.201 4.660 -0.000 0.000 0.283 413 W C -1.838 174.710 176.519 0.048 0.000 1.265 413 W CA -0.586 56.803 57.345 0.073 0.000 1.226 413 W CB 1.298 30.806 29.460 0.080 0.000 1.281 413 W HN -0.158 nan 8.180 nan 0.000 0.539 414 I N 5.760 126.284 120.570 -0.076 0.000 2.800 414 I HA 0.442 4.612 4.170 -0.000 0.000 0.294 414 I C -1.692 174.261 176.117 -0.274 0.000 1.538 414 I CA -0.469 60.794 61.300 -0.061 0.000 1.010 414 I CB 1.580 39.498 38.000 -0.136 0.000 1.381 414 I HN 0.641 nan 8.210 nan 0.000 0.462 415 N N 3.400 121.974 118.700 -0.210 0.000 3.364 415 N HA 0.310 5.050 4.740 -0.000 0.000 0.294 415 N C -0.419 174.925 175.510 -0.278 0.000 1.562 415 N CA -0.637 52.321 53.050 -0.154 0.000 0.862 415 N CB 0.250 38.761 38.487 0.040 0.000 1.691 415 N HN 0.616 nan 8.380 nan 0.000 0.572 416 N N -0.848 117.843 118.700 -0.016 0.000 2.060 416 N HA -0.170 4.570 4.740 -0.000 0.000 0.195 416 N C -0.273 175.178 175.510 -0.098 0.000 1.028 416 N CA 1.826 54.870 53.050 -0.011 0.000 0.861 416 N CB -0.152 38.377 38.487 0.071 0.000 1.029 416 N HN 0.520 nan 8.380 nan 0.000 0.428 417 D N -0.365 120.008 120.400 -0.044 0.000 2.417 417 D HA 0.121 4.761 4.640 -0.000 0.000 0.207 417 D C -0.255 176.033 176.300 -0.020 0.000 1.075 417 D CA 0.240 54.212 54.000 -0.046 0.000 0.851 417 D CB 0.970 41.768 40.800 -0.002 0.000 0.976 417 D HN -0.029 nan 8.370 nan 0.000 0.505 418 V N 1.730 121.664 119.914 0.033 0.000 2.555 418 V HA 0.443 4.563 4.120 -0.000 0.000 0.302 418 V C -0.758 175.417 176.094 0.136 0.000 1.038 418 V CA -0.881 61.490 62.300 0.119 0.000 0.887 418 V CB 2.638 34.599 31.823 0.231 0.000 0.991 418 V HN -0.080 nan 8.190 nan 0.000 0.434 419 L N 6.182 127.508 121.223 0.172 0.000 2.439 419 L HA 0.664 5.004 4.340 -0.000 0.000 0.270 419 L C -1.056 176.011 176.870 0.329 0.000 0.972 419 L CA 0.066 55.046 54.840 0.234 0.000 0.836 419 L CB 1.601 43.773 42.059 0.188 0.000 1.255 419 L HN 0.575 nan 8.230 nan 0.000 0.404 420 I N 6.280 127.063 120.570 0.355 0.000 2.382 420 I HA 0.379 4.549 4.170 -0.000 0.000 0.286 420 I C -1.059 175.248 176.117 0.317 0.000 1.002 420 I CA -0.738 60.732 61.300 0.283 0.000 1.135 420 I CB 1.104 39.294 38.000 0.317 0.000 1.288 420 I HN 0.606 nan 8.210 nan 0.000 0.448 421 Y N 3.331 123.760 120.300 0.215 0.000 2.549 421 Y HA 0.759 5.309 4.550 -0.000 0.000 0.339 421 Y C -0.539 175.453 175.900 0.155 0.000 1.053 421 Y CA -1.409 56.801 58.100 0.182 0.000 1.105 421 Y CB 1.010 39.582 38.460 0.188 0.000 1.258 421 Y HN 0.495 nan 8.280 nan 0.000 0.478 422 E N 2.011 122.377 120.200 0.277 0.000 2.222 422 E HA 0.482 4.832 4.350 -0.000 0.000 0.267 422 E C -1.198 175.526 176.600 0.207 0.000 0.884 422 E CA -1.123 55.380 56.400 0.172 0.000 0.764 422 E CB 1.076 30.858 29.700 0.135 0.000 1.169 422 E HN 0.623 nan 8.360 nan 0.000 0.413 423 R N 3.331 123.928 120.500 0.162 0.000 2.460 423 R HA 0.486 4.826 4.340 -0.000 0.000 0.303 423 R C -0.740 175.644 176.300 0.141 0.000 0.968 423 R CA -0.681 55.512 56.100 0.155 0.000 0.889 423 R CB 1.528 31.904 30.300 0.126 0.000 1.123 423 R HN 0.542 nan 8.270 nan 0.000 0.455 424 K N 1.964 122.464 120.400 0.165 0.000 2.525 424 K HA 0.483 4.803 4.320 -0.000 0.000 0.254 424 K C -1.886 174.876 176.600 0.271 0.000 0.934 424 K CA -0.608 55.787 56.287 0.179 0.000 0.802 424 K CB 1.558 34.139 32.500 0.135 0.000 1.295 424 K HN 0.428 nan 8.250 nan 0.000 0.433 425 F N 3.779 123.774 119.950 0.074 0.000 2.991 425 F HA 0.390 4.917 4.527 -0.000 0.000 0.355 425 F C 0.076 175.908 175.800 0.053 0.000 1.262 425 F CA 0.756 58.802 58.000 0.077 0.000 1.127 425 F CB 1.068 40.134 39.000 0.111 0.000 1.447 425 F HN 0.835 nan 8.300 nan 0.000 0.584 426 G N 3.207 111.773 108.800 -0.389 0.000 2.566 426 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.280 426 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.280 426 G C 0.176 175.039 174.900 -0.061 0.000 1.225 426 G CA -0.029 44.893 45.100 -0.297 0.000 0.966 426 G HN 0.995 nan 8.290 nan 0.000 0.560 427 S N 2.623 118.309 115.700 -0.023 0.000 3.122 427 S HA 0.342 4.812 4.470 -0.000 0.000 0.249 427 S C 0.157 174.792 174.600 0.058 0.000 1.334 427 S CA -0.073 58.171 58.200 0.073 0.000 1.251 427 S CB -0.627 62.608 63.200 0.058 0.000 1.034 427 S HN 0.533 nan 8.310 nan 0.000 0.478 428 N N 0.883 119.644 118.700 0.101 0.000 2.336 428 N HA 0.470 5.210 4.740 -0.000 0.000 0.290 428 N C -1.328 174.278 175.510 0.160 0.000 1.058 428 N CA -0.328 52.777 53.050 0.091 0.000 0.865 428 N CB 2.364 40.913 38.487 0.104 0.000 1.581 428 N HN -0.013 nan 8.380 nan 0.000 0.480 429 V N 0.271 120.289 119.914 0.174 0.000 2.925 429 V HA 0.897 5.017 4.120 -0.000 0.000 0.311 429 V C -0.800 175.351 176.094 0.095 0.000 1.104 429 V CA -0.830 61.558 62.300 0.147 0.000 0.954 429 V CB 1.999 33.916 31.823 0.157 0.000 1.022 429 V HN 0.841 nan 8.190 nan 0.000 0.427 430 A N 2.853 125.711 122.820 0.063 0.000 2.408 430 A HA 0.872 5.192 4.320 -0.000 0.000 0.295 430 A C -1.422 176.166 177.584 0.006 0.000 1.040 430 A CA -0.506 51.545 52.037 0.022 0.000 0.707 430 A CB 1.905 20.906 19.000 0.002 0.000 1.235 430 A HN 0.735 nan 8.150 nan 0.000 0.418 431 V N 2.600 122.517 119.914 0.005 0.000 2.448 431 V HA 0.584 4.704 4.120 -0.000 0.000 0.295 431 V C -0.465 175.555 176.094 -0.123 0.000 1.025 431 V CA -0.535 61.777 62.300 0.020 0.000 0.859 431 V CB 1.630 33.571 31.823 0.196 0.000 0.988 431 V HN 0.699 nan 8.190 nan 0.000 0.431 432 V N 3.652 123.332 119.914 -0.390 0.000 2.487 432 V HA 0.836 4.956 4.120 -0.000 0.000 0.298 432 V C 0.183 176.039 176.094 -0.395 0.000 1.028 432 V CA -0.568 61.395 62.300 -0.562 0.000 0.860 432 V CB 1.764 33.067 31.823 -0.867 0.000 0.991 432 V HN 0.982 nan 8.190 nan 0.000 0.427 433 A N 4.607 127.264 122.820 -0.272 0.000 2.303 433 A HA 0.904 5.224 4.320 -0.000 0.000 0.320 433 A C -0.917 176.676 177.584 0.014 0.000 1.192 433 A CA -0.542 51.486 52.037 -0.016 0.000 0.821 433 A CB 1.504 20.599 19.000 0.158 0.000 1.188 433 A HN 0.717 nan 8.150 nan 0.000 0.492 434 V N 2.755 122.747 119.914 0.131 0.000 2.638 434 V HA 0.428 4.548 4.120 -0.000 0.000 0.306 434 V C -0.751 175.434 176.094 0.152 0.000 1.052 434 V CA -0.779 61.623 62.300 0.169 0.000 0.885 434 V CB 2.058 34.065 31.823 0.306 0.000 0.999 434 V HN 0.901 nan 8.190 nan 0.000 0.424 435 N N 3.110 121.885 118.700 0.126 0.000 2.569 435 N HA 0.309 5.049 4.740 -0.000 0.000 0.254 435 N C 0.946 176.520 175.510 0.106 0.000 1.004 435 N CA -0.836 52.269 53.050 0.090 0.000 0.904 435 N CB 1.356 39.879 38.487 0.060 0.000 1.165 435 N HN 0.636 nan 8.380 nan 0.000 0.513 436 R N 1.802 122.353 120.500 0.085 0.000 2.237 436 R HA 0.060 4.400 4.340 -0.000 0.000 0.219 436 R C 0.433 176.770 176.300 0.062 0.000 1.080 436 R CA 0.473 56.626 56.100 0.090 0.000 0.995 436 R CB -0.341 29.915 30.300 -0.073 0.000 0.875 436 R HN 0.275 nan 8.270 nan 0.000 0.462 437 N N 1.428 120.152 118.700 0.040 0.000 2.416 437 N HA -0.026 4.714 4.740 -0.000 0.000 0.265 437 N C 0.015 175.552 175.510 0.046 0.000 1.195 437 N CA -0.019 53.052 53.050 0.035 0.000 0.943 437 N CB 0.791 39.294 38.487 0.027 0.000 1.115 437 N HN 0.116 nan 8.380 nan 0.000 0.481 438 L N 3.658 124.911 121.223 0.049 0.000 2.478 438 L HA 0.043 4.383 4.340 -0.000 0.000 0.223 438 L C 0.804 177.697 176.870 0.038 0.000 1.140 438 L CA 1.022 55.892 54.840 0.051 0.000 0.842 438 L CB -0.329 41.764 42.059 0.056 0.000 0.953 438 L HN 0.540 nan 8.230 nan 0.000 0.452 439 N N -1.134 117.585 118.700 0.032 0.000 2.159 439 N HA 0.366 5.106 4.740 -0.000 0.000 0.217 439 N C -0.026 175.498 175.510 0.023 0.000 1.223 439 N CA 0.286 53.351 53.050 0.026 0.000 0.896 439 N CB 0.959 39.459 38.487 0.022 0.000 1.064 439 N HN 0.098 nan 8.380 nan 0.000 0.518 440 A N 1.071 123.907 122.820 0.025 0.000 2.353 440 A HA 0.647 4.966 4.320 -0.000 0.000 0.299 440 A C -2.772 174.824 177.584 0.021 0.000 1.089 440 A CA -1.412 50.638 52.037 0.022 0.000 0.736 440 A CB 1.308 20.322 19.000 0.023 0.000 1.195 440 A HN -0.138 nan 8.150 nan 0.000 0.447 441 P HA 0.475 nan 4.420 nan 0.000 0.273 441 P C -0.381 176.912 177.300 -0.010 0.000 1.250 441 P CA -0.081 63.021 63.100 0.005 0.000 0.793 441 P CB 0.949 32.651 31.700 0.003 0.000 1.011 442 A N 0.452 123.243 122.820 -0.049 0.000 2.374 442 A HA 0.538 4.858 4.320 -0.000 0.000 0.305 442 A C -0.479 176.985 177.584 -0.200 0.000 1.053 442 A CA -0.448 51.534 52.037 -0.091 0.000 0.726 442 A CB 1.062 19.998 19.000 -0.107 0.000 1.229 442 A HN 0.331 nan 8.150 nan 0.000 0.431 443 S N 2.081 117.680 115.700 -0.168 0.000 2.399 443 S HA 0.491 4.961 4.470 -0.000 0.000 0.301 443 S C -0.602 173.766 174.600 -0.386 0.000 1.093 443 S CA -0.371 57.694 58.200 -0.225 0.000 1.077 443 S CB -0.807 62.343 63.200 -0.083 0.000 0.980 443 S HN 0.428 nan 8.310 nan 0.000 0.494 444 I N 5.404 125.508 120.570 -0.777 0.000 2.297 444 I HA 0.316 4.486 4.170 -0.000 0.000 0.291 444 I C 0.303 176.072 176.117 -0.580 0.000 1.033 444 I CA 0.323 60.963 61.300 -1.099 0.000 1.253 444 I CB 1.085 38.004 38.000 -1.802 0.000 1.396 444 I HN 0.630 nan 8.210 nan 0.000 0.476 445 S N 3.184 118.816 115.700 -0.114 0.000 2.548 445 S HA 0.823 5.293 4.470 -0.000 0.000 0.286 445 S C 0.482 175.251 174.600 0.281 0.000 1.098 445 S CA -0.143 58.094 58.200 0.063 0.000 0.930 445 S CB 1.949 65.190 63.200 0.068 0.000 1.070 445 S HN 1.228 nan 8.310 nan 0.000 0.480 446 G N 0.131 109.050 108.800 0.198 0.000 2.157 446 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.248 446 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.248 446 G C -0.196 174.869 174.900 0.276 0.000 0.979 446 G CA 0.073 45.304 45.100 0.218 0.000 0.650 446 G HN 1.259 nan 8.290 nan 0.000 0.529 447 L N 1.579 122.973 121.223 0.285 0.000 2.418 447 L HA 0.625 4.965 4.340 -0.000 0.000 0.274 447 L C 0.230 177.196 176.870 0.160 0.000 1.135 447 L CA -0.284 54.727 54.840 0.286 0.000 0.870 447 L CB 1.258 43.438 42.059 0.203 0.000 1.154 447 L HN 0.107 nan 8.230 nan 0.000 0.462 448 V N 4.938 124.941 119.914 0.149 0.000 2.555 448 V HA 0.738 4.858 4.120 -0.000 0.000 0.302 448 V C 0.286 176.423 176.094 0.072 0.000 1.038 448 V CA 0.017 62.368 62.300 0.085 0.000 0.887 448 V CB 1.796 33.665 31.823 0.076 0.000 0.991 448 V HN 0.998 nan 8.190 nan 0.000 0.434 449 T N 0.405 114.976 114.554 0.029 0.000 0.000 449 T HA 0.406 4.756 4.350 -0.000 0.000 0.000 449 T C 0.326 175.026 174.700 0.000 0.000 0.000 449 T CA -0.425 61.684 62.100 0.015 0.000 0.000 449 T CB 1.954 70.800 68.868 -0.037 0.000 0.000 449 T HN 0.319 nan 8.240 nan 0.000 0.000 450 S N 0.045 115.745 115.700 -0.001 0.000 2.572 450 S HA 0.342 4.812 4.470 -0.000 0.000 0.228 450 S C 0.422 174.996 174.600 -0.044 0.000 0.963 450 S CA -0.527 57.671 58.200 -0.003 0.000 0.939 450 S CB -0.632 62.587 63.200 0.031 0.000 0.804 450 S HN 0.469 nan 8.310 nan 0.000 0.480 451 L N 2.819 123.988 121.223 -0.090 0.000 2.380 451 L HA 0.282 4.622 4.340 -0.000 0.000 0.273 451 L C -2.328 174.468 176.870 -0.124 0.000 1.138 451 L CA -1.942 52.800 54.840 -0.164 0.000 0.832 451 L CB 0.116 41.966 42.059 -0.348 0.000 1.124 451 L HN -0.059 nan 8.230 nan 0.000 0.454 452 P HA -0.008 nan 4.420 nan 0.000 0.270 452 P C -0.878 176.413 177.300 -0.016 0.000 1.223 452 P CA -0.438 62.548 63.100 -0.189 0.000 0.785 452 P CB 0.419 31.850 31.700 -0.448 0.000 0.923 453 Q N 0.880 120.652 119.800 -0.046 0.000 2.315 453 Q HA 0.383 4.723 4.340 -0.000 0.000 0.289 453 Q C 0.197 176.159 176.000 -0.064 0.000 1.044 453 Q CA 0.798 56.584 55.803 -0.029 0.000 0.920 453 Q CB -0.285 28.428 28.738 -0.042 0.000 1.214 453 Q HN 0.713 nan 8.270 nan 0.000 0.392 454 G N 1.489 110.245 108.800 -0.074 0.000 2.369 454 G HA2 0.035 3.995 3.960 -0.000 0.000 0.293 454 G HA3 0.035 3.995 3.960 -0.000 0.000 0.293 454 G C -1.596 173.156 174.900 -0.248 0.000 1.301 454 G CA -0.336 44.645 45.100 -0.198 0.000 0.913 454 G HN 0.576 nan 8.290 nan 0.000 0.540 455 S N -0.888 114.612 115.700 -0.333 0.000 2.489 455 S HA 0.787 5.257 4.470 -0.000 0.000 0.291 455 S C -1.295 173.058 174.600 -0.412 0.000 1.151 455 S CA -0.478 57.569 58.200 -0.255 0.000 1.082 455 S CB 0.581 63.688 63.200 -0.155 0.000 1.019 455 S HN 0.546 nan 8.310 nan 0.000 0.492 456 Y N 3.325 123.563 120.300 -0.105 0.000 2.331 456 Y HA 0.420 4.970 4.550 -0.000 0.000 0.334 456 Y C 0.478 176.438 175.900 0.100 0.000 0.960 456 Y CA -1.052 57.045 58.100 -0.005 0.000 1.130 456 Y CB 1.275 39.718 38.460 -0.027 0.000 1.164 456 Y HN 0.576 nan 8.280 nan 0.000 0.458 457 N N 2.017 120.867 118.700 0.251 0.000 2.529 457 N HA 0.017 4.757 4.740 -0.000 0.000 0.278 457 N C -0.801 174.878 175.510 0.281 0.000 1.146 457 N CA -0.343 52.835 53.050 0.214 0.000 0.980 457 N CB 0.970 39.521 38.487 0.107 0.000 1.124 457 N HN 0.702 nan 8.380 nan 0.000 0.458 458 D N 1.067 121.590 120.400 0.205 0.000 2.434 458 D HA -0.023 4.617 4.640 -0.000 0.000 0.252 458 D C 1.055 177.329 176.300 -0.042 0.000 1.185 458 D CA -0.145 53.847 54.000 -0.014 0.000 0.886 458 D CB 0.778 41.544 40.800 -0.058 0.000 1.148 458 D HN 0.138 nan 8.370 nan 0.000 0.483 459 V N 4.388 124.242 119.914 -0.101 0.000 2.568 459 V HA -0.210 3.910 4.120 -0.000 0.000 0.253 459 V C 2.196 178.245 176.094 -0.074 0.000 1.072 459 V CA 1.266 63.526 62.300 -0.066 0.000 1.084 459 V CB -0.527 31.245 31.823 -0.084 0.000 0.676 459 V HN 0.658 nan 8.190 nan 0.000 0.469 460 L N 0.478 121.636 121.223 -0.109 0.000 2.610 460 L HA 0.181 4.521 4.340 -0.000 0.000 0.232 460 L C 1.801 178.644 176.870 -0.045 0.000 1.149 460 L CA 0.770 55.562 54.840 -0.081 0.000 0.872 460 L CB -0.772 41.226 42.059 -0.103 0.000 0.992 460 L HN 0.546 nan 8.230 nan 0.000 0.447 461 G N 0.129 108.909 108.800 -0.032 0.000 2.258 461 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.274 461 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.274 461 G C 1.010 175.910 174.900 -0.000 0.000 1.021 461 G CA 0.408 45.504 45.100 -0.006 0.000 0.798 461 G HN 0.684 nan 8.290 nan 0.000 0.507 462 G N -1.724 107.070 108.800 -0.009 0.000 2.179 462 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.260 462 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.260 462 G C 1.228 176.130 174.900 0.003 0.000 0.977 462 G CA 1.105 46.207 45.100 0.004 0.000 0.641 462 G HN 1.638 nan 8.290 nan 0.000 0.533 463 L N 0.104 121.324 121.223 -0.004 0.000 2.081 463 L HA 0.127 4.467 4.340 -0.000 0.000 0.212 463 L C 1.937 178.812 176.870 0.008 0.000 1.080 463 L CA 2.410 57.252 54.840 0.005 0.000 0.754 463 L CB -0.136 41.924 42.059 0.001 0.000 0.893 463 L HN 0.428 nan 8.230 nan 0.000 0.433 464 L N -0.180 121.040 121.223 -0.004 0.000 3.094 464 L HA 0.272 4.612 4.340 -0.000 0.000 0.254 464 L C 0.180 177.056 176.870 0.009 0.000 1.298 464 L CA -0.165 54.678 54.840 0.004 0.000 1.050 464 L CB -0.605 41.449 42.059 -0.008 0.000 1.420 464 L HN 0.316 nan 8.230 nan 0.000 0.548 465 N N -0.460 118.249 118.700 0.015 0.000 2.747 465 N HA -0.166 4.574 4.740 -0.000 0.000 0.249 465 N C 0.675 176.206 175.510 0.034 0.000 1.107 465 N CA 0.756 53.824 53.050 0.029 0.000 0.707 465 N CB -1.060 37.450 38.487 0.037 0.000 1.054 465 N HN 0.609 nan 8.380 nan 0.000 0.555 466 G N 0.027 108.831 108.800 0.006 0.000 2.651 466 G HA2 0.436 4.396 3.960 -0.000 0.000 0.260 466 G HA3 0.436 4.396 3.960 -0.000 0.000 0.260 466 G C 0.224 175.165 174.900 0.068 0.000 1.216 466 G CA -0.066 45.032 45.100 -0.005 0.000 0.913 466 G HN 0.440 nan 8.290 nan 0.000 0.535 467 N N -1.727 117.063 118.700 0.150 0.000 2.697 467 N HA 0.319 5.059 4.740 -0.000 0.000 0.272 467 N C -1.031 174.654 175.510 0.292 0.000 1.381 467 N CA -0.615 52.546 53.050 0.185 0.000 0.797 467 N CB 1.246 39.843 38.487 0.183 0.000 1.523 467 N HN 0.310 nan 8.380 nan 0.000 0.518 468 T N 0.881 115.525 114.554 0.149 0.000 2.897 468 T HA 0.348 4.698 4.350 -0.000 0.000 0.294 468 T C -0.137 174.461 174.700 -0.169 0.000 1.004 468 T CA -0.273 61.887 62.100 0.100 0.000 1.106 468 T CB 0.402 69.289 68.868 0.032 0.000 0.949 468 T HN 0.365 nan 8.240 nan 0.000 0.520 469 L N 2.588 123.560 121.223 -0.418 0.000 2.334 469 L HA 0.606 4.946 4.340 -0.000 0.000 0.276 469 L C -0.412 176.224 176.870 -0.390 0.000 1.014 469 L CA -0.022 54.318 54.840 -0.835 0.000 0.815 469 L CB 1.992 42.971 42.059 -1.800 0.000 1.268 469 L HN 0.537 nan 8.230 nan 0.000 0.428 470 S N 3.307 118.814 115.700 -0.321 0.000 2.530 470 S HA 0.669 5.139 4.470 -0.000 0.000 0.322 470 S C -0.908 173.618 174.600 -0.123 0.000 1.085 470 S CA -0.540 57.568 58.200 -0.154 0.000 1.096 470 S CB 1.388 64.524 63.200 -0.107 0.000 0.988 470 S HN 0.376 nan 8.310 nan 0.000 0.466 471 V N 3.209 123.094 119.914 -0.049 0.000 2.417 471 V HA 0.691 4.811 4.120 -0.000 0.000 0.291 471 V C 0.966 177.048 176.094 -0.019 0.000 1.024 471 V CA -0.514 61.769 62.300 -0.029 0.000 0.861 471 V CB 1.494 33.336 31.823 0.031 0.000 0.985 471 V HN 0.900 nan 8.190 nan 0.000 0.436 472 G N 3.016 111.802 108.800 -0.023 0.000 2.630 472 G HA2 0.471 4.431 3.960 -0.000 0.000 0.223 472 G HA3 0.471 4.431 3.960 -0.000 0.000 0.223 472 G C 0.218 175.107 174.900 -0.018 0.000 1.434 472 G CA 0.016 45.104 45.100 -0.020 0.000 1.057 472 G HN 0.858 nan 8.290 nan 0.000 0.570 473 S N -1.853 113.837 115.700 -0.016 0.000 2.601 473 S HA 0.482 4.952 4.470 -0.000 0.000 0.271 473 S C 1.139 175.732 174.600 -0.011 0.000 1.305 473 S CA 0.515 58.705 58.200 -0.017 0.000 1.022 473 S CB 1.142 64.334 63.200 -0.014 0.000 0.940 473 S HN 2.340 nan 8.310 nan 0.000 0.525 474 G N 0.924 109.717 108.800 -0.012 0.000 2.179 474 G HA2 0.081 4.041 3.960 -0.000 0.000 0.260 474 G HA3 0.081 4.041 3.960 -0.000 0.000 0.260 474 G C 1.175 176.072 174.900 -0.005 0.000 0.977 474 G CA 0.457 45.553 45.100 -0.005 0.000 0.641 474 G HN 2.402 nan 8.290 nan 0.000 0.533 475 G N -0.985 107.806 108.800 -0.015 0.000 2.162 475 G HA2 0.172 4.132 3.960 -0.000 0.000 0.260 475 G HA3 0.172 4.132 3.960 -0.000 0.000 0.260 475 G C 0.774 175.666 174.900 -0.014 0.000 0.976 475 G CA 1.231 46.319 45.100 -0.021 0.000 0.655 475 G HN 2.341 nan 8.290 nan 0.000 0.533 476 A N 0.064 122.882 122.820 -0.002 0.000 2.409 476 A HA 0.816 5.136 4.320 -0.000 0.000 0.267 476 A C 0.806 178.387 177.584 -0.006 0.000 1.127 476 A CA 0.953 52.996 52.037 0.011 0.000 0.795 476 A CB 0.557 19.569 19.000 0.021 0.000 1.061 476 A HN 2.034 nan 8.150 nan 0.000 0.502 477 A N 2.913 125.731 122.820 -0.004 0.000 2.327 477 A HA 0.619 4.939 4.320 -0.000 0.000 0.283 477 A C 0.792 178.389 177.584 0.022 0.000 1.127 477 A CA 0.082 52.098 52.037 -0.036 0.000 0.810 477 A CB 0.137 19.087 19.000 -0.084 0.000 1.066 477 A HN 1.647 nan 8.150 nan 0.000 0.492 478 S N 2.294 117.998 115.700 0.006 0.000 2.601 478 S HA 0.216 4.686 4.470 -0.000 0.000 0.271 478 S C 0.055 174.722 174.600 0.113 0.000 1.305 478 S CA -0.744 57.480 58.200 0.039 0.000 1.022 478 S CB 0.014 63.221 63.200 0.011 0.000 0.940 478 S HN 0.724 nan 8.310 nan 0.000 0.525 479 N N 1.279 120.028 118.700 0.083 0.000 2.225 479 N HA 0.273 5.012 4.740 -0.000 0.000 0.257 479 N C -0.616 174.986 175.510 0.154 0.000 1.252 479 N CA 0.609 53.697 53.050 0.062 0.000 0.833 479 N CB -0.111 38.384 38.487 0.014 0.000 1.068 479 N HN 0.669 nan 8.380 nan 0.000 0.468 480 F N -1.898 117.996 119.950 -0.092 0.000 2.668 480 F HA 0.467 4.994 4.527 -0.000 0.000 0.309 480 F C -0.867 174.886 175.800 -0.078 0.000 1.117 480 F CA -1.168 56.785 58.000 -0.078 0.000 0.951 480 F CB 0.905 39.852 39.000 -0.088 0.000 1.323 480 F HN 0.042 nan 8.300 nan 0.000 0.451 481 T N 3.478 118.069 114.554 0.062 0.000 2.744 481 T HA 0.484 4.834 4.350 -0.000 0.000 0.291 481 T C -0.937 173.810 174.700 0.079 0.000 0.957 481 T CA -0.248 61.829 62.100 -0.039 0.000 1.002 481 T CB 1.021 69.902 68.868 0.022 0.000 0.919 481 T HN 0.667 nan 8.240 nan 0.000 0.468 482 L N 4.690 125.873 121.223 -0.067 0.000 2.259 482 L HA 0.659 4.999 4.340 -0.000 0.000 0.288 482 L C 0.506 177.399 176.870 0.039 0.000 1.051 482 L CA -0.515 54.366 54.840 0.069 0.000 0.824 482 L CB -0.324 41.721 42.059 -0.023 0.000 1.206 482 L HN 0.769 nan 8.230 nan 0.000 0.429 483 A N 4.444 127.310 122.820 0.076 0.000 2.475 483 A HA 0.522 4.842 4.320 -0.000 0.000 0.239 483 A C 0.597 178.208 177.584 0.044 0.000 1.087 483 A CA 0.199 52.268 52.037 0.053 0.000 0.779 483 A CB -0.153 18.882 19.000 0.059 0.000 1.036 483 A HN 1.164 nan 8.150 nan 0.000 0.506 484 A N 0.227 123.069 122.820 0.038 0.000 2.520 484 A HA 0.474 4.794 4.320 -0.000 0.000 0.245 484 A C 1.671 179.285 177.584 0.050 0.000 1.072 484 A CA 0.757 52.818 52.037 0.040 0.000 0.761 484 A CB -1.027 17.994 19.000 0.035 0.000 1.004 484 A HN 2.771 nan 8.150 nan 0.000 0.499 485 G N 1.942 110.778 108.800 0.060 0.000 2.175 485 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.265 485 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.265 485 G C 0.891 175.832 174.900 0.068 0.000 0.979 485 G CA 0.780 45.925 45.100 0.074 0.000 0.663 485 G HN 1.986 nan 8.290 nan 0.000 0.533 486 G N -0.605 108.232 108.800 0.062 0.000 2.441 486 G HA2 0.533 4.493 3.960 -0.000 0.000 0.243 486 G HA3 0.533 4.493 3.960 -0.000 0.000 0.243 486 G C -0.061 174.866 174.900 0.044 0.000 1.281 486 G CA 0.950 46.082 45.100 0.054 0.000 0.854 486 G HN 0.781 nan 8.290 nan 0.000 0.560 487 T N 0.458 115.013 114.554 0.001 0.000 3.011 487 T HA 0.648 4.998 4.350 -0.000 0.000 0.303 487 T C -0.215 174.390 174.700 -0.160 0.000 0.997 487 T CA -0.033 62.038 62.100 -0.048 0.000 1.007 487 T CB 1.669 70.520 68.868 -0.028 0.000 1.017 487 T HN 1.059 nan 8.240 nan 0.000 0.443 488 A N 2.442 125.066 122.820 -0.326 0.000 2.454 488 A HA 0.949 5.269 4.320 -0.000 0.000 0.302 488 A C -1.250 175.774 177.584 -0.934 0.000 1.079 488 A CA -0.772 50.872 52.037 -0.655 0.000 0.731 488 A CB 1.684 20.168 19.000 -0.860 0.000 1.299 488 A HN 0.665 nan 8.150 nan 0.000 0.413 489 V N 1.712 121.035 119.914 -0.986 0.000 2.569 489 V HA 0.517 4.637 4.120 -0.000 0.000 0.301 489 V C -1.310 174.361 176.094 -0.704 0.000 1.044 489 V CA -0.503 61.352 62.300 -0.742 0.000 0.874 489 V CB 1.479 33.084 31.823 -0.363 0.000 1.002 489 V HN 0.830 nan 8.190 nan 0.000 0.424 490 W N 4.119 125.346 121.300 -0.122 0.000 2.736 490 W HA 0.750 5.410 4.660 -0.000 0.000 0.335 490 W C -0.197 176.232 176.519 -0.149 0.000 1.059 490 W CA -0.579 56.686 57.345 -0.133 0.000 1.226 490 W CB 2.109 31.423 29.460 -0.243 0.000 1.416 490 W HN 0.734 nan 8.180 nan 0.000 0.505 491 Q N 1.440 121.323 119.800 0.139 0.000 2.553 491 Q HA 0.700 5.040 4.340 -0.000 0.000 0.293 491 Q C -2.242 173.908 176.000 0.250 0.000 1.038 491 Q CA -1.053 54.814 55.803 0.107 0.000 0.777 491 Q CB 3.539 32.320 28.738 0.072 0.000 1.487 491 Q HN 0.382 nan 8.270 nan 0.000 0.426 492 Y N 0.409 120.758 120.300 0.081 0.000 2.399 492 Y HA 0.552 5.102 4.550 -0.000 0.000 0.327 492 Y C -1.893 174.057 175.900 0.083 0.000 1.111 492 Y CA -0.027 58.158 58.100 0.142 0.000 1.047 492 Y CB 2.293 40.850 38.460 0.162 0.000 1.259 492 Y HN 0.949 nan 8.280 nan 0.000 0.434 493 T N 2.577 116.758 114.554 -0.621 0.000 2.900 493 T HA 1.022 5.372 4.350 -0.000 0.000 0.295 493 T C -0.839 173.449 174.700 -0.686 0.000 1.044 493 T CA -0.258 61.519 62.100 -0.538 0.000 0.995 493 T CB 1.776 70.513 68.868 -0.218 0.000 1.072 493 T HN 1.476 nan 8.240 nan 0.000 0.473 494 A N 1.078 123.625 122.820 -0.455 0.000 2.586 494 A HA 0.899 5.219 4.320 -0.000 0.000 0.291 494 A C -0.348 177.160 177.584 -0.126 0.000 1.062 494 A CA -0.717 51.160 52.037 -0.266 0.000 0.666 494 A CB 0.538 19.400 19.000 -0.230 0.000 1.281 494 A HN 1.780 nan 8.150 nan 0.000 0.421 495 A N 0.471 123.251 122.820 -0.066 0.000 2.511 495 A HA 0.551 4.871 4.320 -0.000 0.000 0.242 495 A C 0.438 178.002 177.584 -0.033 0.000 1.069 495 A CA 0.725 52.737 52.037 -0.041 0.000 0.763 495 A CB -0.462 18.524 19.000 -0.023 0.000 1.001 495 A HN 1.004 nan 8.150 nan 0.000 0.498 496 T N 2.400 116.926 114.554 -0.046 0.000 2.767 496 T HA 0.458 4.808 4.350 -0.000 0.000 0.288 496 T C 1.384 176.057 174.700 -0.045 0.000 0.963 496 T CA 0.225 62.289 62.100 -0.060 0.000 1.019 496 T CB 1.603 70.402 68.868 -0.115 0.000 0.923 496 T HN 0.852 nan 8.240 nan 0.000 0.468 497 A N 3.302 126.106 122.820 -0.028 0.000 1.898 497 A HA 0.124 4.444 4.320 -0.000 0.000 0.214 497 A C 1.521 179.105 177.584 -0.001 0.000 1.183 497 A CA 0.659 52.693 52.037 -0.006 0.000 0.622 497 A CB -0.527 18.476 19.000 0.004 0.000 0.824 497 A HN 0.772 nan 8.150 nan 0.000 0.444 498 T N -1.512 113.030 114.554 -0.020 0.000 2.909 498 T HA 0.539 4.889 4.350 -0.000 0.000 0.286 498 T C -3.035 171.657 174.700 -0.014 0.000 1.002 498 T CA -2.291 59.808 62.100 -0.002 0.000 1.074 498 T CB 1.202 70.063 68.868 -0.012 0.000 0.984 498 T HN -0.047 nan 8.240 nan 0.000 0.495 499 P HA 0.251 nan 4.420 nan 0.000 0.263 499 P C -0.669 176.667 177.300 0.060 0.000 1.195 499 P CA 0.006 63.195 63.100 0.149 0.000 0.762 499 P CB 0.269 32.149 31.700 0.301 0.000 0.799 500 T N 4.590 119.110 114.554 -0.056 0.000 2.937 500 T HA 0.447 4.797 4.350 -0.000 0.000 0.297 500 T C 0.084 174.847 174.700 0.105 0.000 0.991 500 T CA -0.408 61.630 62.100 -0.105 0.000 0.990 500 T CB 0.531 69.081 68.868 -0.530 0.000 0.991 500 T HN 0.162 nan 8.240 nan 0.000 0.440 501 I N 2.602 123.328 120.570 0.259 0.000 2.352 501 I HA 0.371 4.541 4.170 -0.000 0.000 0.290 501 I C 1.337 177.642 176.117 0.313 0.000 1.036 501 I CA -0.060 61.417 61.300 0.294 0.000 1.336 501 I CB 1.234 39.343 38.000 0.182 0.000 1.407 501 I HN 0.900 nan 8.210 nan 0.000 0.497 502 G N 5.076 113.866 108.800 -0.017 0.000 2.850 502 G HA2 0.046 4.006 3.960 -0.000 0.000 0.211 502 G HA3 0.046 4.006 3.960 -0.000 0.000 0.211 502 G C 0.299 174.961 174.900 -0.396 0.000 1.124 502 G CA 0.289 45.124 45.100 -0.441 0.000 0.769 502 G HN 0.632 nan 8.290 nan 0.000 0.535 503 H N -1.137 117.573 119.070 -0.599 0.000 3.060 503 H HA 0.456 5.012 4.556 -0.000 0.000 0.330 503 H C -2.179 172.732 175.328 -0.695 0.000 1.305 503 H CA -0.256 55.476 56.048 -0.528 0.000 1.209 503 H CB 2.017 31.623 29.762 -0.260 0.000 1.913 503 H HN -0.099 nan 8.280 nan 0.000 0.534 504 V N 2.021 121.248 119.914 -1.145 0.000 2.760 504 V HA 0.716 4.836 4.120 -0.000 0.000 0.309 504 V C 0.030 175.943 176.094 -0.301 0.000 1.077 504 V CA -0.124 61.804 62.300 -0.620 0.000 0.910 504 V CB 1.894 33.304 31.823 -0.690 0.000 1.008 504 V HN 0.933 nan 8.190 nan 0.000 0.424 505 G N 4.188 113.001 108.800 0.021 0.000 2.755 505 G HA2 0.714 4.674 3.960 -0.000 0.000 0.297 505 G HA3 0.714 4.674 3.960 -0.000 0.000 0.297 505 G C -3.410 171.599 174.900 0.181 0.000 1.441 505 G CA -1.042 44.170 45.100 0.186 0.000 0.964 505 G HN 0.488 nan 8.290 nan 0.000 0.540 506 P HA 0.246 nan 4.420 nan 0.000 0.277 506 P C 0.301 177.765 177.300 0.273 0.000 1.271 506 P CA -0.424 62.797 63.100 0.202 0.000 0.795 506 P CB 1.268 33.047 31.700 0.132 0.000 1.101 507 M N -0.397 119.282 119.600 0.133 0.000 2.431 507 M HA 0.282 4.762 4.480 -0.000 0.000 0.237 507 M C 0.567 176.595 176.300 -0.454 0.000 1.130 507 M CA 0.380 55.699 55.300 0.033 0.000 1.002 507 M CB -0.703 31.940 32.600 0.072 0.000 1.524 507 M HN 0.446 nan 8.290 nan 0.000 0.482 508 M N 0.741 120.130 119.600 -0.350 0.000 2.255 508 M HA 0.597 5.077 4.480 -0.000 0.000 0.275 508 M C -2.120 174.061 176.300 -0.199 0.000 1.050 508 M CA -0.198 54.867 55.300 -0.392 0.000 0.978 508 M CB 2.039 34.502 32.600 -0.228 0.000 1.761 508 M HN 0.040 nan 8.290 nan 0.000 0.479 509 A N 3.613 126.331 122.820 -0.170 0.000 2.544 509 A HA 0.611 4.931 4.320 -0.000 0.000 0.291 509 A C -1.935 175.653 177.584 0.006 0.000 1.055 509 A CA -0.977 51.046 52.037 -0.025 0.000 0.651 509 A CB 1.498 20.539 19.000 0.069 0.000 1.296 509 A HN 0.876 nan 8.150 nan 0.000 0.431 510 K N 0.034 120.439 120.400 0.009 0.000 2.090 510 K HA 0.691 5.011 4.320 -0.000 0.000 0.249 510 K C -2.746 173.851 176.600 -0.005 0.000 0.995 510 K CA -1.623 54.665 56.287 0.001 0.000 0.914 510 K CB 0.404 32.900 32.500 -0.007 0.000 1.057 510 K HN 0.269 nan 8.250 nan 0.000 0.462 511 P HA -0.034 nan 4.420 nan 0.000 0.266 511 P C 0.486 177.747 177.300 -0.065 0.000 1.193 511 P CA 1.254 64.302 63.100 -0.086 0.000 0.770 511 P CB 0.548 32.188 31.700 -0.099 0.000 0.836 512 G N 0.331 109.080 108.800 -0.084 0.000 2.258 512 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.233 512 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.233 512 G C 0.128 175.006 174.900 -0.037 0.000 1.006 512 G CA -0.080 44.985 45.100 -0.058 0.000 0.620 512 G HN 0.548 nan 8.290 nan 0.000 0.511 513 V N 2.188 122.091 119.914 -0.017 0.000 2.686 513 V HA 0.486 4.606 4.120 -0.000 0.000 0.295 513 V C 0.963 177.065 176.094 0.014 0.000 1.055 513 V CA 0.612 62.916 62.300 0.007 0.000 1.050 513 V CB 1.490 33.336 31.823 0.039 0.000 0.984 513 V HN 0.315 nan 8.190 nan 0.000 0.482 514 T N 6.463 121.024 114.554 0.010 0.000 2.771 514 T HA 0.545 4.894 4.350 -0.000 0.000 0.291 514 T C -0.050 174.673 174.700 0.038 0.000 0.954 514 T CA -0.012 62.094 62.100 0.012 0.000 1.045 514 T CB 0.307 69.171 68.868 -0.007 0.000 0.917 514 T HN 0.593 nan 8.240 nan 0.000 0.484 515 I N 0.101 120.695 120.570 0.040 0.000 2.863 515 I HA 0.743 4.913 4.170 -0.000 0.000 0.311 515 I C -0.394 175.713 176.117 -0.018 0.000 1.026 515 I CA -0.835 60.492 61.300 0.045 0.000 1.077 515 I CB 2.073 40.100 38.000 0.045 0.000 1.262 515 I HN 0.310 nan 8.210 nan 0.000 0.461 516 T N 5.111 119.655 114.554 -0.017 0.000 2.770 516 T HA 0.581 4.931 4.350 -0.000 0.000 0.283 516 T C -0.209 174.426 174.700 -0.109 0.000 0.988 516 T CA -0.195 61.873 62.100 -0.052 0.000 0.957 516 T CB 0.921 69.787 68.868 -0.002 0.000 0.930 516 T HN 0.375 nan 8.240 nan 0.000 0.443 517 I N 3.738 124.190 120.570 -0.197 0.000 2.354 517 I HA 0.350 4.520 4.170 -0.000 0.000 0.286 517 I C -0.350 175.683 176.117 -0.141 0.000 1.007 517 I CA -0.724 60.412 61.300 -0.273 0.000 1.167 517 I CB 1.086 38.808 38.000 -0.464 0.000 1.320 517 I HN 0.475 nan 8.210 nan 0.000 0.458 518 D N 4.650 125.011 120.400 -0.065 0.000 2.269 518 D HA 0.788 5.428 4.640 -0.000 0.000 0.244 518 D C 0.293 176.537 176.300 -0.092 0.000 0.992 518 D CA -0.044 53.955 54.000 -0.003 0.000 0.894 518 D CB 2.650 43.392 40.800 -0.098 0.000 1.248 518 D HN 0.754 nan 8.370 nan 0.000 0.468 519 G N 0.361 109.048 108.800 -0.188 0.000 2.513 519 G HA2 0.209 4.169 3.960 -0.000 0.000 0.182 519 G HA3 0.209 4.169 3.960 -0.000 0.000 0.182 519 G C -1.325 173.333 174.900 -0.403 0.000 1.190 519 G CA -0.619 44.302 45.100 -0.299 0.000 0.987 519 G HN 0.317 nan 8.290 nan 0.000 0.479 520 R N -0.763 119.435 120.500 -0.504 0.000 2.774 520 R HA 0.625 4.965 4.340 -0.000 0.000 0.272 520 R C 0.596 176.556 176.300 -0.568 0.000 1.000 520 R CA -0.017 55.825 56.100 -0.430 0.000 0.906 520 R CB 1.210 31.479 30.300 -0.052 0.000 1.227 520 R HN 2.259 nan 8.270 nan 0.000 0.468 521 G N 0.930 109.530 108.800 -0.333 0.000 2.153 521 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.252 521 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.252 521 G C 0.333 175.243 174.900 0.016 0.000 0.994 521 G CA 0.387 45.401 45.100 -0.144 0.000 0.698 521 G HN 0.448 nan 8.290 nan 0.000 0.521 522 F N 1.002 120.969 119.950 0.028 0.000 2.407 522 F HA 0.373 4.900 4.527 -0.000 0.000 0.299 522 F C 2.066 178.086 175.800 0.367 0.000 1.097 522 F CA 1.245 59.295 58.000 0.083 0.000 1.422 522 F CB -0.698 38.122 39.000 -0.300 0.000 1.067 522 F HN 1.172 nan 8.300 nan 0.000 0.539 523 G N -0.280 108.763 108.800 0.405 0.000 2.746 523 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.685 523 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.685 523 G C 0.684 175.840 174.900 0.428 0.000 1.350 523 G CA -0.118 45.191 45.100 0.348 0.000 0.837 523 G HN 0.431 nan 8.290 nan 0.000 0.564 524 S N -1.316 114.536 115.700 0.253 0.000 2.478 524 S HA 0.401 4.871 4.470 -0.000 0.000 0.222 524 S C 1.145 175.839 174.600 0.157 0.000 1.008 524 S CA 1.289 59.624 58.200 0.226 0.000 0.928 524 S CB 0.270 63.541 63.200 0.119 0.000 0.781 524 S HN 1.268 nan 8.310 nan 0.000 0.518 525 S N 2.062 117.771 115.700 0.014 0.000 2.525 525 S HA 0.367 4.837 4.470 -0.000 0.000 0.278 525 S C -0.245 173.950 174.600 -0.676 0.000 1.234 525 S CA -0.768 57.313 58.200 -0.197 0.000 1.058 525 S CB 0.929 64.038 63.200 -0.153 0.000 0.983 525 S HN 0.340 nan 8.310 nan 0.000 0.495 526 K N 1.791 121.740 120.400 -0.751 0.000 2.511 526 K HA 0.131 4.451 4.320 -0.000 0.000 0.280 526 K C 0.882 176.711 176.600 -1.285 0.000 1.008 526 K CA 0.009 55.551 56.287 -1.242 0.000 1.050 526 K CB 0.215 32.396 32.500 -0.532 0.000 0.889 526 K HN 0.741 nan 8.250 nan 0.000 0.484 527 G N 1.879 109.401 108.800 -2.130 0.000 3.310 527 G HA2 0.315 4.275 3.960 -0.000 0.000 0.176 527 G HA3 0.315 4.275 3.960 -0.000 0.000 0.176 527 G C -0.730 173.863 174.900 -0.513 0.000 1.307 527 G CA -0.219 44.291 45.100 -0.983 0.000 0.935 527 G HN 0.500 nan 8.290 nan 0.000 0.628 528 T N -0.415 114.071 114.554 -0.113 0.000 2.900 528 T HA 0.579 4.928 4.350 -0.000 0.000 0.295 528 T C -1.065 173.631 174.700 -0.007 0.000 1.044 528 T CA -0.263 61.771 62.100 -0.109 0.000 0.995 528 T CB 2.183 70.917 68.868 -0.223 0.000 1.072 528 T HN 0.294 nan 8.240 nan 0.000 0.473 529 V N 2.817 122.641 119.914 -0.150 0.000 2.495 529 V HA 0.526 4.646 4.120 -0.000 0.000 0.298 529 V C -1.413 174.528 176.094 -0.257 0.000 1.031 529 V CA -0.873 61.364 62.300 -0.105 0.000 0.871 529 V CB 1.238 33.047 31.823 -0.023 0.000 0.988 529 V HN 0.819 nan 8.190 nan 0.000 0.432 530 Y N 3.576 123.834 120.300 -0.070 0.000 2.393 530 Y HA 0.639 5.189 4.550 -0.000 0.000 0.341 530 Y C -0.498 175.307 175.900 -0.158 0.000 0.988 530 Y CA -0.971 57.126 58.100 -0.005 0.000 1.078 530 Y CB 1.673 40.142 38.460 0.014 0.000 1.203 530 Y HN 0.511 nan 8.280 nan 0.000 0.453 531 F N 2.463 122.481 119.950 0.114 0.000 2.359 531 F HA 0.551 5.078 4.527 -0.000 0.000 0.370 531 F C 0.901 176.881 175.800 0.299 0.000 1.077 531 F CA -0.385 57.659 58.000 0.072 0.000 1.136 531 F CB 0.837 39.730 39.000 -0.179 0.000 1.387 531 F HN 0.802 nan 8.300 nan 0.000 0.468 532 G N 2.069 111.140 108.800 0.452 0.000 2.536 532 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.280 532 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.280 532 G C 1.152 176.228 174.900 0.292 0.000 1.152 532 G CA 0.408 45.742 45.100 0.391 0.000 0.970 532 G HN 0.722 nan 8.290 nan 0.000 0.549 533 T N -1.715 112.999 114.554 0.267 0.000 3.081 533 T HA 0.341 4.691 4.350 -0.000 0.000 0.255 533 T C 1.224 176.099 174.700 0.292 0.000 1.113 533 T CA 1.672 63.909 62.100 0.228 0.000 1.082 533 T CB -0.143 68.817 68.868 0.153 0.000 0.939 533 T HN 0.833 nan 8.240 nan 0.000 0.506 534 T N 3.242 117.970 114.554 0.290 0.000 2.834 534 T HA 0.562 4.912 4.350 -0.000 0.000 0.298 534 T C 0.173 174.980 174.700 0.180 0.000 0.966 534 T CA -0.292 61.933 62.100 0.209 0.000 1.141 534 T CB 0.664 69.622 68.868 0.151 0.000 0.905 534 T HN 0.541 nan 8.240 nan 0.000 0.535 535 A N 3.563 126.411 122.820 0.047 0.000 2.290 535 A HA 0.673 4.993 4.320 -0.000 0.000 0.310 535 A C -0.394 177.102 177.584 -0.146 0.000 1.202 535 A CA -0.615 51.301 52.037 -0.202 0.000 0.837 535 A CB 0.716 19.595 19.000 -0.202 0.000 1.139 535 A HN 0.675 nan 8.150 nan 0.000 0.509 536 V N 2.636 122.440 119.914 -0.182 0.000 2.531 536 V HA 0.718 4.838 4.120 -0.000 0.000 0.301 536 V C 0.019 176.044 176.094 -0.116 0.000 1.034 536 V CA 0.039 62.283 62.300 -0.094 0.000 0.865 536 V CB 1.404 33.230 31.823 0.005 0.000 0.995 536 V HN 1.258 nan 8.190 nan 0.000 0.424 537 S N 2.701 118.342 115.700 -0.099 0.000 2.625 537 S HA 0.979 5.449 4.470 -0.000 0.000 0.271 537 S C 0.052 174.603 174.600 -0.081 0.000 1.161 537 S CA 0.103 58.241 58.200 -0.104 0.000 0.820 537 S CB 1.779 64.898 63.200 -0.135 0.000 1.137 537 S HN 2.179 nan 8.310 nan 0.000 0.470 538 G N 1.323 110.069 108.800 -0.091 0.000 2.498 538 G HA2 0.114 4.074 3.960 -0.000 0.000 0.251 538 G HA3 0.114 4.074 3.960 -0.000 0.000 0.251 538 G C 1.046 175.917 174.900 -0.047 0.000 1.170 538 G CA 0.770 45.826 45.100 -0.072 0.000 0.944 538 G HN 1.973 nan 8.290 nan 0.000 0.567 539 A N -0.937 121.859 122.820 -0.041 0.000 1.948 539 A HA 0.012 4.332 4.320 -0.000 0.000 0.220 539 A C 1.929 179.499 177.584 -0.024 0.000 1.177 539 A CA 2.773 54.792 52.037 -0.030 0.000 0.636 539 A CB -0.588 18.394 19.000 -0.030 0.000 0.815 539 A HN 0.698 nan 8.150 nan 0.000 0.449 540 D N -0.600 119.782 120.400 -0.031 0.000 2.348 540 D HA 0.036 4.676 4.640 -0.000 0.000 0.216 540 D C 0.344 176.640 176.300 -0.007 0.000 0.970 540 D CA 0.488 54.470 54.000 -0.030 0.000 0.889 540 D CB -0.159 40.609 40.800 -0.052 0.000 0.912 540 D HN 0.472 nan 8.370 nan 0.000 0.524 541 I N 1.222 121.799 120.570 0.011 0.000 2.256 541 I HA 0.011 4.181 4.170 -0.000 0.000 0.294 541 I C 1.262 177.409 176.117 0.050 0.000 1.127 541 I CA -0.124 61.211 61.300 0.058 0.000 1.247 541 I CB 0.986 39.054 38.000 0.114 0.000 1.460 541 I HN -0.169 nan 8.210 nan 0.000 0.511 542 T N 2.717 117.289 114.554 0.031 0.000 2.699 542 T HA -0.120 4.230 4.350 -0.000 0.000 0.268 542 T C 0.789 175.513 174.700 0.041 0.000 1.036 542 T CA 1.499 63.612 62.100 0.021 0.000 1.147 542 T CB -0.100 68.771 68.868 0.005 0.000 0.862 542 T HN 0.719 nan 8.240 nan 0.000 0.446 543 S N -1.025 114.715 115.700 0.068 0.000 2.570 543 S HA 0.572 5.042 4.470 -0.000 0.000 0.270 543 S C -2.260 172.452 174.600 0.187 0.000 1.149 543 S CA -1.152 57.108 58.200 0.100 0.000 0.837 543 S CB 2.368 65.600 63.200 0.053 0.000 1.124 543 S HN 0.412 nan 8.310 nan 0.000 0.465 544 W N 2.618 123.904 121.300 -0.024 0.000 3.405 544 W HA 0.521 5.181 4.660 -0.000 0.000 0.329 544 W C -1.667 174.865 176.519 0.022 0.000 1.142 544 W CA -0.457 56.878 57.345 -0.017 0.000 1.235 544 W CB 1.547 30.985 29.460 -0.037 0.000 1.341 544 W HN 1.170 nan 8.180 nan 0.000 0.481 545 E N 1.651 121.936 120.200 0.141 0.000 2.458 545 E HA 0.232 4.582 4.350 -0.000 0.000 0.278 545 E C -0.293 176.388 176.600 0.135 0.000 1.004 545 E CA -0.601 55.922 56.400 0.204 0.000 0.823 545 E CB 1.796 31.564 29.700 0.113 0.000 1.396 545 E HN 0.170 nan 8.360 nan 0.000 0.463 546 D N 0.049 120.539 120.400 0.149 0.000 2.172 546 D HA -0.201 4.439 4.640 -0.000 0.000 0.196 546 D C 1.588 177.847 176.300 -0.069 0.000 0.999 546 D CA 2.869 56.921 54.000 0.087 0.000 0.856 546 D CB 0.158 40.978 40.800 0.034 0.000 0.934 546 D HN 0.581 nan 8.370 nan 0.000 0.453 547 T N -3.827 110.711 114.554 -0.028 0.000 3.044 547 T HA 0.162 4.512 4.350 -0.000 0.000 0.260 547 T C 0.445 175.198 174.700 0.087 0.000 1.019 547 T CA -0.542 61.496 62.100 -0.102 0.000 0.921 547 T CB 0.449 69.276 68.868 -0.068 0.000 1.053 547 T HN 0.126 nan 8.240 nan 0.000 0.533 548 Q N 0.315 120.197 119.800 0.136 0.000 2.295 548 Q HA 0.628 4.968 4.340 -0.000 0.000 0.268 548 Q C -2.081 173.819 176.000 -0.167 0.000 1.010 548 Q CA -0.820 55.001 55.803 0.029 0.000 0.856 548 Q CB 2.003 30.730 28.738 -0.018 0.000 1.349 548 Q HN 0.450 nan 8.270 nan 0.000 0.412 549 I N 2.681 123.057 120.570 -0.322 0.000 2.465 549 I HA 0.449 4.619 4.170 -0.000 0.000 0.291 549 I C -0.802 175.186 176.117 -0.215 0.000 1.014 549 I CA -0.955 60.091 61.300 -0.423 0.000 1.093 549 I CB 2.046 39.553 38.000 -0.823 0.000 1.267 549 I HN 0.336 nan 8.210 nan 0.000 0.431 550 K N 5.170 125.509 120.400 -0.103 0.000 2.425 550 K HA 0.654 4.974 4.320 -0.000 0.000 0.259 550 K C -1.488 175.099 176.600 -0.022 0.000 0.978 550 K CA -0.447 55.807 56.287 -0.054 0.000 0.883 550 K CB 1.550 34.035 32.500 -0.026 0.000 1.110 550 K HN 0.367 nan 8.250 nan 0.000 0.436 551 V N 3.724 123.624 119.914 -0.023 0.000 2.841 551 V HA 0.503 4.623 4.120 -0.000 0.000 0.310 551 V C -1.251 174.853 176.094 0.016 0.000 1.090 551 V CA -0.911 61.396 62.300 0.013 0.000 0.930 551 V CB 1.862 33.710 31.823 0.041 0.000 1.014 551 V HN 0.709 nan 8.190 nan 0.000 0.425 552 K N 5.752 126.144 120.400 -0.012 0.000 2.249 552 K HA 0.492 4.812 4.320 -0.000 0.000 0.280 552 K C -0.365 176.145 176.600 -0.151 0.000 1.033 552 K CA -0.249 56.005 56.287 -0.055 0.000 0.946 552 K CB 1.171 33.631 32.500 -0.066 0.000 1.005 552 K HN 0.598 nan 8.250 nan 0.000 0.469 553 I N 6.248 126.702 120.570 -0.192 0.000 2.598 553 I HA 0.003 4.173 4.170 -0.000 0.000 0.284 553 I C -1.536 174.280 176.117 -0.501 0.000 1.140 553 I CA -1.557 59.449 61.300 -0.490 0.000 1.420 553 I CB 0.231 38.105 38.000 -0.210 0.000 1.387 553 I HN 0.398 nan 8.210 nan 0.000 0.553 554 P HA 0.048 nan 4.420 nan 0.000 0.272 554 P C -0.579 176.526 177.300 -0.325 0.000 1.230 554 P CA -0.520 62.310 63.100 -0.450 0.000 0.788 554 P CB 0.847 32.263 31.700 -0.474 0.000 0.949 555 A N 2.269 124.972 122.820 -0.195 0.000 3.051 555 A HA 0.327 4.646 4.320 -0.000 0.000 0.257 555 A C 0.812 178.335 177.584 -0.101 0.000 1.785 555 A CA -0.389 51.572 52.037 -0.127 0.000 1.420 555 A CB -1.615 17.336 19.000 -0.080 0.000 1.063 555 A HN 0.414 nan 8.150 nan 0.000 0.630 556 V N -2.097 117.732 119.914 -0.142 0.000 2.997 556 V HA 0.828 4.948 4.120 -0.000 0.000 0.311 556 V C 0.725 176.828 176.094 0.015 0.000 1.066 556 V CA -0.851 61.411 62.300 -0.064 0.000 1.039 556 V CB 0.739 32.476 31.823 -0.143 0.000 1.081 556 V HN 0.841 nan 8.190 nan 0.000 0.467 557 A N 1.682 124.573 122.820 0.118 0.000 2.483 557 A HA 0.545 4.865 4.320 -0.000 0.000 0.238 557 A C 0.991 178.697 177.584 0.203 0.000 1.070 557 A CA 0.345 52.464 52.037 0.137 0.000 0.770 557 A CB -0.591 18.495 19.000 0.143 0.000 1.008 557 A HN 2.021 nan 8.150 nan 0.000 0.497 558 G N -0.078 108.804 108.800 0.138 0.000 2.414 558 G HA2 0.564 4.524 3.960 -0.000 0.000 0.236 558 G HA3 0.564 4.524 3.960 -0.000 0.000 0.236 558 G C 0.428 175.458 174.900 0.217 0.000 1.293 558 G CA 0.592 45.784 45.100 0.152 0.000 0.869 558 G HN 1.896 nan 8.290 nan 0.000 0.556 559 G N 0.553 109.525 108.800 0.286 0.000 2.327 559 G HA2 0.295 4.255 3.960 -0.000 0.000 0.291 559 G HA3 0.295 4.255 3.960 -0.000 0.000 0.291 559 G C -1.385 173.658 174.900 0.239 0.000 1.290 559 G CA -0.919 44.296 45.100 0.191 0.000 0.857 559 G HN 0.803 nan 8.290 nan 0.000 0.520 560 N N -0.476 118.241 118.700 0.028 0.000 2.425 560 N HA 0.696 5.436 4.740 -0.000 0.000 0.268 560 N C -1.406 174.100 175.510 -0.007 0.000 0.991 560 N CA -0.260 52.840 53.050 0.084 0.000 0.931 560 N CB 0.677 39.171 38.487 0.013 0.000 1.130 560 N HN 0.422 nan 8.380 nan 0.000 0.493 561 Y N 0.919 121.345 120.300 0.210 0.000 2.524 561 Y HA 0.452 5.002 4.550 0.000 0.000 0.344 561 Y C 0.008 176.020 175.900 0.186 0.000 1.012 561 Y CA -1.073 57.160 58.100 0.222 0.000 1.068 561 Y CB 1.361 40.016 38.460 0.326 0.000 1.249 561 Y HN 0.422 nan 8.280 nan 0.000 0.468 562 N N 2.099 120.957 118.700 0.263 0.000 2.455 562 N HA 0.333 5.073 4.740 -0.000 0.000 0.280 562 N C -0.995 174.571 175.510 0.093 0.000 1.055 562 N CA -0.263 52.879 53.050 0.153 0.000 0.961 562 N CB 1.119 39.658 38.487 0.088 0.000 1.121 562 N HN 0.390 nan 8.380 nan 0.000 0.476 563 I N 1.348 121.933 120.570 0.025 0.000 2.428 563 I HA 0.397 4.567 4.170 -0.000 0.000 0.296 563 I C 0.474 176.555 176.117 -0.061 0.000 0.985 563 I CA -0.342 60.858 61.300 -0.167 0.000 1.260 563 I CB 0.844 38.660 38.000 -0.308 0.000 1.389 563 I HN 0.404 nan 8.210 nan 0.000 0.484 564 K N 4.721 125.080 120.400 -0.069 0.000 2.568 564 K HA 0.698 5.018 4.320 -0.000 0.000 0.273 564 K C -1.694 174.971 176.600 0.108 0.000 0.951 564 K CA -0.553 55.747 56.287 0.022 0.000 0.854 564 K CB 2.714 35.217 32.500 0.006 0.000 1.424 564 K HN 0.408 nan 8.250 nan 0.000 0.427 565 V N -1.277 118.704 119.914 0.111 0.000 3.102 565 V HA 1.010 5.130 4.120 -0.000 0.000 0.312 565 V C -1.361 174.901 176.094 0.280 0.000 1.135 565 V CA -0.676 61.734 62.300 0.183 0.000 1.022 565 V CB 1.624 33.393 31.823 -0.089 0.000 1.056 565 V HN 0.927 nan 8.190 nan 0.000 0.436 566 A N 2.027 125.072 122.820 0.375 0.000 2.449 566 A HA 0.847 5.167 4.320 -0.000 0.000 0.302 566 A C -0.434 177.345 177.584 0.324 0.000 1.048 566 A CA -0.614 51.610 52.037 0.311 0.000 0.708 566 A CB 1.357 20.549 19.000 0.319 0.000 1.274 566 A HN 1.414 nan 8.150 nan 0.000 0.410 567 N N 1.199 120.063 118.700 0.273 0.000 2.347 567 N HA 0.415 5.155 4.740 -0.000 0.000 0.253 567 N C 1.176 176.706 175.510 0.034 0.000 1.274 567 N CA 0.111 53.307 53.050 0.244 0.000 0.941 567 N CB 0.316 38.949 38.487 0.242 0.000 1.200 567 N HN 0.742 nan 8.380 nan 0.000 0.514 568 A N -0.416 122.363 122.820 -0.069 0.000 1.986 568 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 568 A C 2.050 179.606 177.584 -0.047 0.000 1.171 568 A CA 2.290 54.253 52.037 -0.125 0.000 0.640 568 A CB -1.509 17.409 19.000 -0.136 0.000 0.811 568 A HN 0.892 nan 8.150 nan 0.000 0.451 569 A N -2.371 120.450 122.820 0.000 0.000 2.167 569 A HA 0.389 4.709 4.320 -0.000 0.000 0.214 569 A C 1.918 179.517 177.584 0.025 0.000 1.151 569 A CA 1.317 53.362 52.037 0.012 0.000 0.735 569 A CB -0.746 18.269 19.000 0.025 0.000 0.802 569 A HN 1.926 nan 8.150 nan 0.000 0.467 570 G N -1.986 106.840 108.800 0.043 0.000 2.176 570 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.232 570 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.232 570 G C 0.354 175.299 174.900 0.075 0.000 0.986 570 G CA 0.243 45.381 45.100 0.063 0.000 0.643 570 G HN 0.574 nan 8.290 nan 0.000 0.522 571 T N 2.004 116.604 114.554 0.077 0.000 2.834 571 T HA 0.569 4.919 4.350 -0.000 0.000 0.298 571 T C 0.807 175.564 174.700 0.094 0.000 0.966 571 T CA 0.660 62.803 62.100 0.071 0.000 1.141 571 T CB 1.391 70.299 68.868 0.066 0.000 0.905 571 T HN 1.260 nan 8.240 nan 0.000 0.535 572 A N 3.746 126.602 122.820 0.060 0.000 2.322 572 A HA 0.639 4.959 4.320 -0.000 0.000 0.269 572 A C 0.836 178.456 177.584 0.060 0.000 1.094 572 A CA -0.695 51.373 52.037 0.052 0.000 0.807 572 A CB 0.330 19.314 19.000 -0.027 0.000 1.047 572 A HN 0.877 nan 8.150 nan 0.000 0.487 573 S N 1.468 117.214 115.700 0.076 0.000 2.745 573 S HA 0.462 4.932 4.470 -0.000 0.000 0.292 573 S C 0.184 174.812 174.600 0.047 0.000 1.127 573 S CA -0.618 57.630 58.200 0.080 0.000 1.007 573 S CB 0.397 63.684 63.200 0.145 0.000 1.165 573 S HN 0.933 nan 8.310 nan 0.000 0.544 574 N N -0.173 118.559 118.700 0.053 0.000 2.354 574 N HA 0.171 4.910 4.740 -0.000 0.000 0.246 574 N C -0.661 174.890 175.510 0.068 0.000 1.285 574 N CA -0.460 52.619 53.050 0.048 0.000 0.925 574 N CB 0.094 38.615 38.487 0.057 0.000 1.174 574 N HN 0.433 nan 8.380 nan 0.000 0.478 575 V N 0.879 120.826 119.914 0.055 0.000 2.439 575 V HA 0.129 4.249 4.120 -0.000 0.000 0.282 575 V C -0.887 175.265 176.094 0.097 0.000 1.039 575 V CA -0.622 61.715 62.300 0.061 0.000 0.913 575 V CB 0.155 31.993 31.823 0.025 0.000 0.983 575 V HN 0.631 nan 8.190 nan 0.000 0.460 576 Y N 5.659 125.955 120.300 -0.006 0.000 2.417 576 Y HA 0.367 4.917 4.550 0.000 0.000 0.336 576 Y C 0.462 176.372 175.900 0.017 0.000 0.961 576 Y CA -1.115 56.985 58.100 -0.000 0.000 1.215 576 Y CB 0.578 39.019 38.460 -0.032 0.000 1.120 576 Y HN 0.850 nan 8.280 nan 0.000 0.499 577 D N 2.252 122.619 120.400 -0.054 0.000 2.478 577 D HA 0.120 4.760 4.640 -0.000 0.000 0.269 577 D C 0.107 176.449 176.300 0.071 0.000 1.232 577 D CA -0.393 53.624 54.000 0.028 0.000 1.059 577 D CB 0.679 41.467 40.800 -0.019 0.000 1.104 577 D HN 0.564 nan 8.370 nan 0.000 0.566 578 N N -2.477 116.282 118.700 0.098 0.000 2.776 578 N HA -0.228 4.512 4.740 -0.000 0.000 0.250 578 N C -1.223 174.386 175.510 0.165 0.000 1.112 578 N CA 0.201 53.309 53.050 0.097 0.000 0.733 578 N CB -1.958 36.548 38.487 0.032 0.000 1.097 578 N HN 0.422 nan 8.380 nan 0.000 0.558 579 F N 1.693 121.725 119.950 0.137 0.000 2.427 579 F HA 0.350 4.877 4.527 -0.000 0.000 0.352 579 F C 0.719 176.638 175.800 0.198 0.000 1.100 579 F CA -0.400 57.697 58.000 0.162 0.000 1.191 579 F CB 0.724 39.825 39.000 0.169 0.000 1.128 579 F HN 0.149 nan 8.300 nan 0.000 0.533 580 E N 5.601 125.450 120.200 -0.585 0.000 2.113 580 E HA 0.417 4.767 4.350 -0.000 0.000 0.273 580 E C -1.636 174.753 176.600 -0.351 0.000 0.924 580 E CA -0.759 55.477 56.400 -0.274 0.000 0.764 580 E CB 1.263 30.848 29.700 -0.192 0.000 1.104 580 E HN 0.497 nan 8.360 nan 0.000 0.406 581 V N 6.582 126.525 119.914 0.048 0.000 2.385 581 V HA 0.188 4.308 4.120 -0.000 0.000 0.269 581 V C 0.540 176.660 176.094 0.043 0.000 1.043 581 V CA -0.449 61.901 62.300 0.084 0.000 0.906 581 V CB 0.674 32.560 31.823 0.104 0.000 0.995 581 V HN 0.732 nan 8.190 nan 0.000 0.467 582 L N 3.483 124.702 121.223 -0.007 0.000 2.472 582 L HA 0.215 4.555 4.340 -0.000 0.000 0.260 582 L C 1.442 178.319 176.870 0.013 0.000 1.209 582 L CA 0.026 54.863 54.840 -0.005 0.000 0.817 582 L CB 0.689 42.733 42.059 -0.025 0.000 1.106 582 L HN 0.616 nan 8.230 nan 0.000 0.479 583 S N -0.066 115.642 115.700 0.012 0.000 2.593 583 S HA 0.305 4.775 4.470 -0.000 0.000 0.217 583 S C 0.426 175.028 174.600 0.004 0.000 0.966 583 S CA 0.445 58.654 58.200 0.014 0.000 0.914 583 S CB 0.123 63.331 63.200 0.013 0.000 0.776 583 S HN 0.932 nan 8.310 nan 0.000 0.523 584 G N 0.734 109.534 108.800 -0.001 0.000 2.350 584 G HA2 0.077 4.037 3.960 -0.000 0.000 0.282 584 G HA3 0.077 4.037 3.960 -0.000 0.000 0.282 584 G C -2.175 172.722 174.900 -0.005 0.000 1.314 584 G CA -1.031 44.067 45.100 -0.004 0.000 0.915 584 G HN 0.084 nan 8.290 nan 0.000 0.499 585 D N 0.858 121.256 120.400 -0.003 0.000 2.390 585 D HA 0.338 4.978 4.640 -0.000 0.000 0.236 585 D C 0.198 176.498 176.300 -0.001 0.000 1.189 585 D CA 0.567 54.564 54.000 -0.005 0.000 0.887 585 D CB 0.618 41.417 40.800 -0.002 0.000 1.198 585 D HN 0.320 nan 8.370 nan 0.000 0.444 586 Q N 0.191 119.988 119.800 -0.006 0.000 2.345 586 Q HA 0.571 4.911 4.340 -0.000 0.000 0.268 586 Q C -0.381 175.635 176.000 0.027 0.000 1.054 586 Q CA -0.995 54.813 55.803 0.008 0.000 0.835 586 Q CB 2.355 31.086 28.738 -0.012 0.000 1.339 586 Q HN 0.334 nan 8.270 nan 0.000 0.447 587 V N -2.028 117.925 119.914 0.065 0.000 2.876 587 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 587 V C -0.298 175.886 176.094 0.149 0.000 1.085 587 V CA -0.928 61.434 62.300 0.104 0.000 0.945 587 V CB 2.009 33.897 31.823 0.108 0.000 1.017 587 V HN 0.681 nan 8.190 nan 0.000 0.428 588 S N 2.086 117.908 115.700 0.203 0.000 2.452 588 S HA 0.701 5.171 4.470 -0.000 0.000 0.284 588 S C -0.554 174.193 174.600 0.245 0.000 1.171 588 S CA -0.309 58.051 58.200 0.266 0.000 1.064 588 S CB 0.565 64.031 63.200 0.442 0.000 0.967 588 S HN 0.866 nan 8.310 nan 0.000 0.484 589 V N 6.372 126.431 119.914 0.242 0.000 2.540 589 V HA 0.502 4.622 4.120 -0.000 0.000 0.302 589 V C 0.154 176.337 176.094 0.149 0.000 1.035 589 V CA -0.971 61.411 62.300 0.136 0.000 0.873 589 V CB 1.792 33.646 31.823 0.051 0.000 0.992 589 V HN 0.854 nan 8.190 nan 0.000 0.428 590 R N 3.621 124.151 120.500 0.049 0.000 2.234 590 R HA 0.456 4.796 4.340 -0.000 0.000 0.324 590 R C -1.475 174.791 176.300 -0.058 0.000 1.054 590 R CA -0.288 55.885 56.100 0.121 0.000 0.912 590 R CB 0.428 30.811 30.300 0.138 0.000 1.030 590 R HN 0.491 nan 8.270 nan 0.000 0.455 591 F N 4.028 123.993 119.950 0.026 0.000 2.408 591 F HA 0.357 4.883 4.527 -0.000 0.000 0.344 591 F C -0.147 175.679 175.800 0.043 0.000 1.112 591 F CA -0.530 57.473 58.000 0.005 0.000 1.096 591 F CB 1.881 40.926 39.000 0.075 0.000 1.129 591 F HN 0.113 nan 8.300 nan 0.000 0.486 592 V N 4.512 124.462 119.914 0.059 0.000 2.531 592 V HA 0.539 4.659 4.120 -0.000 0.000 0.301 592 V C -0.981 175.000 176.094 -0.188 0.000 1.034 592 V CA -0.901 61.309 62.300 -0.150 0.000 0.865 592 V CB 2.007 33.578 31.823 -0.421 0.000 0.995 592 V HN 0.510 nan 8.190 nan 0.000 0.424 593 V N 5.598 125.318 119.914 -0.323 0.000 2.531 593 V HA 0.605 4.725 4.120 -0.000 0.000 0.301 593 V C -0.580 175.433 176.094 -0.135 0.000 1.034 593 V CA -0.437 61.621 62.300 -0.404 0.000 0.865 593 V CB 1.937 33.092 31.823 -1.114 0.000 0.995 593 V HN 0.934 nan 8.190 nan 0.000 0.424 594 N N 4.949 123.623 118.700 -0.044 0.000 2.492 594 N HA 0.428 5.168 4.740 -0.000 0.000 0.289 594 N C -0.222 175.322 175.510 0.056 0.000 1.133 594 N CA -0.315 52.743 53.050 0.013 0.000 0.961 594 N CB 1.028 39.527 38.487 0.019 0.000 1.186 594 N HN 0.775 nan 8.380 nan 0.000 0.493 595 N N -0.589 118.112 118.700 0.002 0.000 2.756 595 N HA -0.176 4.563 4.740 -0.000 0.000 0.248 595 N C -1.058 174.396 175.510 -0.093 0.000 1.062 595 N CA 0.434 53.463 53.050 -0.035 0.000 0.696 595 N CB -1.131 37.379 38.487 0.039 0.000 0.946 595 N HN 0.645 nan 8.380 nan 0.000 0.548 596 A N 0.615 123.348 122.820 -0.145 0.000 2.690 596 A HA 0.452 4.772 4.320 -0.000 0.000 0.342 596 A C 0.875 178.302 177.584 -0.262 0.000 1.410 596 A CA -0.247 51.542 52.037 -0.414 0.000 0.958 596 A CB 0.153 18.896 19.000 -0.428 0.000 1.153 596 A HN 0.290 nan 8.150 nan 0.000 0.497 597 T N 0.399 114.771 114.554 -0.303 0.000 2.907 597 T HA 0.585 4.935 4.350 -0.000 0.000 0.298 597 T C 0.352 175.086 174.700 0.056 0.000 1.017 597 T CA 0.323 62.409 62.100 -0.024 0.000 1.118 597 T CB 0.943 69.808 68.868 -0.004 0.000 0.948 597 T HN 0.978 nan 8.240 nan 0.000 0.531 598 T N -1.265 113.493 114.554 0.339 0.000 2.841 598 T HA 0.769 5.119 4.350 -0.000 0.000 0.296 598 T C -0.527 174.253 174.700 0.133 0.000 1.166 598 T CA -0.907 61.300 62.100 0.178 0.000 1.007 598 T CB 1.413 70.427 68.868 0.243 0.000 1.253 598 T HN 1.083 nan 8.240 nan 0.000 0.511 599 A N 1.060 123.921 122.820 0.069 0.000 2.294 599 A HA 0.752 5.072 4.320 -0.000 0.000 0.330 599 A C 0.170 177.773 177.584 0.031 0.000 1.133 599 A CA -1.015 51.045 52.037 0.038 0.000 0.836 599 A CB 0.334 19.353 19.000 0.030 0.000 1.190 599 A HN 0.970 nan 8.150 nan 0.000 0.492 600 L N 1.239 122.465 121.223 0.005 0.000 2.578 600 L HA 0.224 4.564 4.340 -0.000 0.000 0.279 600 L C 1.554 178.442 176.870 0.029 0.000 1.227 600 L CA 1.761 56.603 54.840 0.004 0.000 0.900 600 L CB 0.112 42.165 42.059 -0.010 0.000 1.144 600 L HN 1.293 nan 8.230 nan 0.000 0.496 601 G N 2.286 111.114 108.800 0.047 0.000 2.234 601 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.235 601 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.235 601 G C 0.186 175.132 174.900 0.078 0.000 0.997 601 G CA 0.193 45.328 45.100 0.059 0.000 0.623 601 G HN 0.594 nan 8.290 nan 0.000 0.514 602 Q N 0.898 120.745 119.800 0.079 0.000 2.257 602 Q HA 0.586 4.926 4.340 -0.000 0.000 0.255 602 Q C -0.582 175.475 176.000 0.095 0.000 0.920 602 Q CA -0.662 55.185 55.803 0.074 0.000 0.927 602 Q CB 0.503 29.267 28.738 0.043 0.000 1.229 602 Q HN 0.398 nan 8.270 nan 0.000 0.433 603 N N 1.907 120.641 118.700 0.058 0.000 2.321 603 N HA 0.400 5.140 4.740 -0.000 0.000 0.290 603 N C -1.349 173.937 175.510 -0.374 0.000 1.212 603 N CA -0.480 52.493 53.050 -0.127 0.000 0.767 603 N CB 2.144 40.606 38.487 -0.042 0.000 1.494 603 N HN 0.309 nan 8.380 nan 0.000 0.479 604 V N 1.894 121.194 119.914 -1.024 0.000 2.509 604 V HA 0.395 4.515 4.120 -0.000 0.000 0.284 604 V C -0.829 174.978 176.094 -0.479 0.000 1.047 604 V CA -0.128 61.721 62.300 -0.753 0.000 0.952 604 V CB 0.151 31.193 31.823 -1.301 0.000 0.988 604 V HN 0.516 nan 8.190 nan 0.000 0.469 605 Y N 3.413 123.610 120.300 -0.172 0.000 2.633 605 Y HA 0.746 5.296 4.550 -0.000 0.000 0.339 605 Y C -0.313 175.582 175.900 -0.009 0.000 1.045 605 Y CA -1.178 56.841 58.100 -0.135 0.000 1.098 605 Y CB 1.807 40.160 38.460 -0.179 0.000 1.296 605 Y HN 0.509 nan 8.280 nan 0.000 0.494 606 L N 0.806 122.048 121.223 0.031 0.000 2.346 606 L HA 0.815 5.155 4.340 -0.000 0.000 0.276 606 L C -0.585 176.147 176.870 -0.229 0.000 1.006 606 L CA -0.012 54.703 54.840 -0.209 0.000 0.817 606 L CB 1.959 43.805 42.059 -0.356 0.000 1.272 606 L HN 0.668 nan 8.230 nan 0.000 0.421 607 T N 2.821 117.224 114.554 -0.252 0.000 2.903 607 T HA 0.922 5.272 4.350 -0.000 0.000 0.299 607 T C -0.590 173.914 174.700 -0.327 0.000 1.093 607 T CA 0.078 62.059 62.100 -0.198 0.000 1.002 607 T CB 1.402 70.236 68.868 -0.057 0.000 1.127 607 T HN 1.062 nan 8.240 nan 0.000 0.488 608 G N 0.467 108.877 108.800 -0.649 0.000 2.619 608 G HA2 0.445 4.405 3.960 -0.000 0.000 0.305 608 G HA3 0.445 4.405 3.960 -0.000 0.000 0.305 608 G C 0.385 174.375 174.900 -1.516 0.000 1.330 608 G CA 0.055 44.486 45.100 -1.115 0.000 0.789 608 G HN 0.991 nan 8.290 nan 0.000 0.487 609 S N -1.369 113.731 115.700 -1.000 0.000 2.754 609 S HA 0.328 4.798 4.470 -0.000 0.000 0.223 609 S C 0.653 175.130 174.600 -0.205 0.000 0.951 609 S CA 0.561 58.474 58.200 -0.478 0.000 0.954 609 S CB -0.950 62.299 63.200 0.082 0.000 0.780 609 S HN 1.745 nan 8.310 nan 0.000 0.509 610 V N -2.048 117.728 119.914 -0.229 0.000 3.007 610 V HA 0.652 4.772 4.120 -0.000 0.000 0.311 610 V C 1.128 177.161 176.094 -0.103 0.000 1.120 610 V CA -0.434 61.806 62.300 -0.101 0.000 0.980 610 V CB 1.113 32.906 31.823 -0.050 0.000 1.033 610 V HN 0.205 nan 8.190 nan 0.000 0.429 611 S N 0.722 116.397 115.700 -0.041 0.000 2.402 611 S HA -0.235 4.235 4.470 -0.000 0.000 0.233 611 S C 1.276 175.853 174.600 -0.038 0.000 1.030 611 S CA 1.883 60.068 58.200 -0.025 0.000 1.003 611 S CB -0.676 62.538 63.200 0.023 0.000 0.813 611 S HN 0.925 nan 8.310 nan 0.000 0.477 612 E N 0.578 120.757 120.200 -0.035 0.000 2.401 612 E HA 0.087 4.437 4.350 -0.000 0.000 0.199 612 E C 0.969 177.528 176.600 -0.067 0.000 1.023 612 E CA 0.513 56.894 56.400 -0.031 0.000 0.859 612 E CB -0.177 29.519 29.700 -0.006 0.000 0.780 612 E HN 0.391 nan 8.360 nan 0.000 0.523 613 L N -1.375 119.777 121.223 -0.119 0.000 2.959 613 L HA 0.347 4.687 4.340 -0.000 0.000 0.259 613 L C 1.085 177.852 176.870 -0.173 0.000 1.185 613 L CA 0.536 55.264 54.840 -0.187 0.000 0.998 613 L CB 0.627 42.519 42.059 -0.277 0.000 1.337 613 L HN 0.156 nan 8.230 nan 0.000 0.555 614 G N -0.078 108.654 108.800 -0.112 0.000 2.136 614 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.242 614 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.242 614 G C 0.527 175.391 174.900 -0.061 0.000 0.989 614 G CA 0.123 45.181 45.100 -0.070 0.000 0.682 614 G HN 0.295 nan 8.290 nan 0.000 0.522 615 N N -0.945 117.672 118.700 -0.137 0.000 2.698 615 N HA -0.248 4.492 4.740 -0.000 0.000 0.258 615 N C 1.007 176.556 175.510 0.064 0.000 0.978 615 N CA 1.927 54.900 53.050 -0.129 0.000 0.777 615 N CB -1.496 36.996 38.487 0.009 0.000 0.907 615 N HN 1.216 nan 8.380 nan 0.000 0.543 616 W N -3.112 118.257 121.300 0.114 0.000 2.323 616 W HA -0.267 4.393 4.660 -0.000 0.000 0.261 616 W C 0.381 177.037 176.519 0.230 0.000 1.029 616 W CA 0.418 57.892 57.345 0.214 0.000 0.499 616 W CB -1.392 28.179 29.460 0.185 0.000 2.045 616 W HN 0.289 nan 8.180 nan 0.000 1.374 617 D N 0.304 120.867 120.400 0.272 0.000 2.339 617 D HA 0.192 4.832 4.640 -0.000 0.000 0.241 617 D C -0.950 175.404 176.300 0.090 0.000 1.183 617 D CA -2.087 52.024 54.000 0.185 0.000 0.859 617 D CB 1.222 42.083 40.800 0.101 0.000 1.067 617 D HN -0.206 nan 8.370 nan 0.000 0.484 618 P HA -0.180 nan 4.420 nan 0.000 0.216 618 P C 0.881 178.101 177.300 -0.134 0.000 1.154 618 P CA 1.658 64.704 63.100 -0.090 0.000 0.865 618 P CB 0.193 31.858 31.700 -0.057 0.000 0.789 619 A N -1.038 121.742 122.820 -0.065 0.000 2.172 619 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 619 A C 1.737 179.284 177.584 -0.061 0.000 1.154 619 A CA 1.357 53.350 52.037 -0.074 0.000 0.701 619 A CB -0.749 18.231 19.000 -0.033 0.000 0.789 619 A HN 0.212 nan 8.150 nan 0.000 0.465 620 K N -0.506 119.866 120.400 -0.047 0.000 2.438 620 K HA 0.400 4.720 4.320 -0.000 0.000 0.205 620 K C 0.391 176.966 176.600 -0.041 0.000 1.033 620 K CA 0.174 56.443 56.287 -0.031 0.000 1.089 620 K CB 0.687 33.178 32.500 -0.015 0.000 0.857 620 K HN 0.374 nan 8.250 nan 0.000 0.522 621 A N 1.462 124.237 122.820 -0.075 0.000 2.466 621 A HA 0.163 4.483 4.320 -0.000 0.000 0.238 621 A C 0.189 177.793 177.584 0.034 0.000 1.074 621 A CA -0.097 51.903 52.037 -0.062 0.000 0.774 621 A CB 0.120 19.045 19.000 -0.126 0.000 1.015 621 A HN 0.117 nan 8.150 nan 0.000 0.498 622 I N 1.564 122.130 120.570 -0.006 0.000 2.441 622 I HA 0.556 4.726 4.170 -0.000 0.000 0.287 622 I C 1.008 177.038 176.117 -0.145 0.000 1.049 622 I CA 1.297 62.578 61.300 -0.032 0.000 1.381 622 I CB -0.322 37.631 38.000 -0.077 0.000 1.409 622 I HN 1.028 nan 8.210 nan 0.000 0.523 623 G N 8.248 116.861 108.800 -0.313 0.000 2.320 623 G HA2 0.092 4.052 3.960 -0.000 0.000 0.274 623 G HA3 0.092 4.052 3.960 -0.000 0.000 0.274 623 G C -3.140 171.476 174.900 -0.474 0.000 1.324 623 G CA -0.866 43.754 45.100 -0.801 0.000 0.957 623 G HN 0.428 nan 8.290 nan 0.000 0.481 624 P HA 0.304 nan 4.420 nan 0.000 0.269 624 P C 0.219 177.009 177.300 -0.851 0.000 1.209 624 P CA 0.141 62.605 63.100 -1.061 0.000 0.776 624 P CB 0.460 31.847 31.700 -0.521 0.000 0.876 625 M N 1.687 120.870 119.600 -0.696 0.000 2.114 625 M HA 0.200 4.680 4.480 -0.000 0.000 0.293 625 M C 0.157 176.425 176.300 -0.052 0.000 1.201 625 M CA 0.082 55.092 55.300 -0.483 0.000 1.107 625 M CB 0.049 32.575 32.600 -0.123 0.000 1.405 625 M HN 0.264 nan 8.290 nan 0.000 0.486 626 Y N 0.856 121.122 120.300 -0.058 0.000 2.403 626 Y HA 0.306 4.856 4.550 -0.000 0.000 0.323 626 Y C 0.431 176.186 175.900 -0.240 0.000 1.226 626 Y CA -1.485 56.454 58.100 -0.268 0.000 1.235 626 Y CB 0.549 38.603 38.460 -0.676 0.000 1.248 626 Y HN 0.682 nan 8.280 nan 0.000 0.489 627 N N -1.428 117.254 118.700 -0.029 0.000 2.423 627 N HA 0.129 4.869 4.740 -0.000 0.000 0.262 627 N C -0.450 175.030 175.510 -0.050 0.000 1.467 627 N CA -0.171 52.782 53.050 -0.162 0.000 0.847 627 N CB -0.032 37.900 38.487 -0.925 0.000 1.394 627 N HN 0.669 nan 8.380 nan 0.000 0.495 628 Q N -0.522 119.330 119.800 0.085 0.000 2.652 628 Q HA 0.318 4.657 4.340 -0.000 0.000 0.211 628 Q C 1.090 177.091 176.000 0.001 0.000 0.858 628 Q CA 0.434 56.240 55.803 0.005 0.000 0.895 628 Q CB 0.601 29.314 28.738 -0.041 0.000 1.194 628 Q HN 0.100 nan 8.270 nan 0.000 0.645 629 V N 0.418 120.349 119.914 0.028 0.000 2.261 629 V HA -0.144 3.976 4.120 -0.000 0.000 0.235 629 V C 2.110 178.045 176.094 -0.266 0.000 1.044 629 V CA 1.411 63.655 62.300 -0.093 0.000 1.007 629 V CB -0.553 31.230 31.823 -0.067 0.000 0.647 629 V HN 0.143 nan 8.190 nan 0.000 0.462 630 V N -1.569 118.026 119.914 -0.531 0.000 2.490 630 V HA -0.113 4.007 4.120 -0.000 0.000 0.250 630 V C 0.587 176.134 176.094 -0.911 0.000 1.061 630 V CA 1.475 63.268 62.300 -0.845 0.000 1.064 630 V CB -0.784 30.306 31.823 -1.221 0.000 0.670 630 V HN 0.519 nan 8.190 nan 0.000 0.461 631 Y N -1.723 118.238 120.300 -0.565 0.000 2.562 631 Y HA 0.678 5.228 4.550 -0.000 0.000 0.345 631 Y C -0.303 175.540 175.900 -0.094 0.000 1.045 631 Y CA -1.404 56.545 58.100 -0.252 0.000 1.028 631 Y CB 1.680 40.038 38.460 -0.170 0.000 1.297 631 Y HN -0.050 nan 8.280 nan 0.000 0.463 632 Q N 0.591 120.423 119.800 0.053 0.000 2.306 632 Q HA 0.338 4.678 4.340 -0.000 0.000 0.265 632 Q C -1.326 174.651 176.000 -0.038 0.000 1.022 632 Q CA -1.005 54.796 55.803 -0.003 0.000 0.853 632 Q CB 1.566 30.290 28.738 -0.024 0.000 1.327 632 Q HN 0.586 nan 8.270 nan 0.000 0.449 633 Y N 4.010 124.164 120.300 -0.243 0.000 2.788 633 Y HA 0.008 4.558 4.550 -0.000 0.000 0.341 633 Y C -1.204 174.623 175.900 -0.123 0.000 1.258 633 Y CA -0.691 57.224 58.100 -0.310 0.000 1.503 633 Y CB 0.683 38.934 38.460 -0.350 0.000 1.325 633 Y HN 0.576 nan 8.280 nan 0.000 0.614 634 P HA 0.006 nan 4.420 nan 0.000 0.256 634 P C -1.041 176.043 177.300 -0.360 0.000 1.335 634 P CA 0.348 62.751 63.100 -1.162 0.000 0.808 634 P CB -0.020 31.136 31.700 -0.907 0.000 1.305 635 N N 0.576 119.142 118.700 -0.223 0.000 2.456 635 N HA 0.218 4.958 4.740 -0.000 0.000 0.288 635 N C -0.645 174.844 175.510 -0.036 0.000 1.059 635 N CA 0.038 53.078 53.050 -0.016 0.000 0.946 635 N CB 0.632 39.144 38.487 0.042 0.000 1.150 635 N HN 0.047 nan 8.380 nan 0.000 0.479 636 W N 1.633 122.892 121.300 -0.068 0.000 2.781 636 W HA 0.469 5.129 4.660 -0.000 0.000 0.345 636 W C -0.343 176.180 176.519 0.007 0.000 1.085 636 W CA -0.696 56.649 57.345 0.001 0.000 1.198 636 W CB 0.642 30.043 29.460 -0.097 0.000 1.423 636 W HN 0.419 nan 8.180 nan 0.000 0.532 637 Y N -0.181 120.217 120.300 0.165 0.000 2.597 637 Y HA 0.806 5.355 4.550 -0.000 0.000 0.340 637 Y C -2.048 174.023 175.900 0.285 0.000 1.097 637 Y CA -2.601 55.554 58.100 0.093 0.000 1.037 637 Y CB 1.605 40.032 38.460 -0.054 0.000 1.305 637 Y HN 0.474 nan 8.280 nan 0.000 0.463 638 Y N 0.893 121.249 120.300 0.094 0.000 2.465 638 Y HA 0.346 4.896 4.550 -0.000 0.000 0.323 638 Y C -1.911 174.120 175.900 0.219 0.000 1.191 638 Y CA -1.425 56.669 58.100 -0.009 0.000 1.082 638 Y CB 1.691 40.068 38.460 -0.137 0.000 1.334 638 Y HN 0.805 nan 8.280 nan 0.000 0.449 639 D N 4.227 124.580 120.400 -0.079 0.000 2.249 639 D HA 0.552 5.192 4.640 -0.000 0.000 0.246 639 D C -0.852 175.510 176.300 0.103 0.000 1.114 639 D CA 0.081 54.158 54.000 0.129 0.000 0.854 639 D CB 1.960 42.883 40.800 0.205 0.000 1.132 639 D HN 0.213 nan 8.370 nan 0.000 0.461 640 V N 1.083 121.161 119.914 0.273 0.000 2.735 640 V HA 0.307 4.427 4.120 -0.000 0.000 0.310 640 V C 0.240 176.475 176.094 0.234 0.000 1.061 640 V CA -0.938 61.503 62.300 0.235 0.000 0.913 640 V CB 2.156 34.071 31.823 0.154 0.000 1.005 640 V HN 0.482 nan 8.190 nan 0.000 0.428 641 S N 3.196 118.991 115.700 0.158 0.000 2.448 641 S HA 0.604 5.074 4.470 -0.000 0.000 0.279 641 S C -0.463 174.205 174.600 0.114 0.000 1.195 641 S CA -0.403 57.868 58.200 0.119 0.000 1.051 641 S CB 0.246 63.480 63.200 0.057 0.000 0.948 641 S HN 0.994 nan 8.310 nan 0.000 0.493 642 V N 3.314 123.312 119.914 0.140 0.000 2.962 642 V HA 0.789 4.909 4.120 -0.000 0.000 0.313 642 V C -2.800 173.344 176.094 0.082 0.000 1.099 642 V CA -2.847 59.531 62.300 0.131 0.000 0.971 642 V CB 1.754 33.726 31.823 0.249 0.000 1.028 642 V HN 0.658 nan 8.190 nan 0.000 0.430 643 P HA 0.191 nan 4.420 nan 0.000 0.266 643 P C 0.097 177.404 177.300 0.012 0.000 1.215 643 P CA 0.592 63.704 63.100 0.020 0.000 0.763 643 P CB 0.737 32.441 31.700 0.006 0.000 0.806 644 A N 3.864 126.693 122.820 0.015 0.000 2.546 644 A HA 0.377 4.697 4.320 -0.000 0.000 0.243 644 A C 1.635 179.213 177.584 -0.010 0.000 1.063 644 A CA 0.689 52.733 52.037 0.013 0.000 0.757 644 A CB -1.267 17.744 19.000 0.018 0.000 0.991 644 A HN 0.864 nan 8.150 nan 0.000 0.503 645 G N 1.625 110.411 108.800 -0.023 0.000 2.166 645 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.260 645 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.260 645 G C 0.274 175.134 174.900 -0.067 0.000 0.986 645 G CA 0.859 45.936 45.100 -0.039 0.000 0.683 645 G HN 0.794 nan 8.290 nan 0.000 0.527 646 K N 0.670 121.013 120.400 -0.094 0.000 2.143 646 K HA 0.434 4.754 4.320 -0.000 0.000 0.272 646 K C 0.065 176.552 176.600 -0.189 0.000 1.001 646 K CA -0.337 55.890 56.287 -0.101 0.000 0.915 646 K CB 1.176 33.636 32.500 -0.067 0.000 1.047 646 K HN 0.084 nan 8.250 nan 0.000 0.458 647 T N 3.651 118.129 114.554 -0.127 0.000 2.761 647 T HA 0.342 4.692 4.350 -0.000 0.000 0.296 647 T C 0.331 174.980 174.700 -0.086 0.000 0.934 647 T CA -0.134 61.885 62.100 -0.135 0.000 1.091 647 T CB 0.016 68.861 68.868 -0.038 0.000 0.896 647 T HN 0.308 nan 8.240 nan 0.000 0.515 648 I N 3.108 123.609 120.570 -0.116 0.000 2.498 648 I HA 0.352 4.522 4.170 -0.000 0.000 0.290 648 I C 0.208 176.562 176.117 0.395 0.000 1.032 648 I CA -0.868 60.491 61.300 0.098 0.000 1.073 648 I CB 2.162 40.223 38.000 0.102 0.000 1.251 648 I HN 0.486 nan 8.210 nan 0.000 0.426 649 E N 6.058 126.479 120.200 0.367 0.000 2.191 649 E HA 0.609 4.959 4.350 -0.000 0.000 0.278 649 E C -1.325 175.578 176.600 0.506 0.000 0.972 649 E CA -0.506 56.174 56.400 0.467 0.000 0.804 649 E CB 2.111 32.082 29.700 0.452 0.000 1.110 649 E HN 0.419 nan 8.360 nan 0.000 0.394 650 F N -0.462 119.692 119.950 0.340 0.000 2.715 650 F HA 0.700 5.227 4.527 -0.000 0.000 0.318 650 F C -0.932 175.054 175.800 0.310 0.000 1.141 650 F CA -1.154 56.944 58.000 0.163 0.000 0.950 650 F CB 1.449 40.444 39.000 -0.009 0.000 1.374 650 F HN 0.134 nan 8.300 nan 0.000 0.477 651 K N 0.210 120.766 120.400 0.260 0.000 2.548 651 K HA 0.603 4.923 4.320 -0.000 0.000 0.282 651 K C -2.151 174.358 176.600 -0.152 0.000 1.006 651 K CA -0.757 55.622 56.287 0.154 0.000 0.892 651 K CB 2.805 35.528 32.500 0.371 0.000 1.499 651 K HN 0.556 nan 8.250 nan 0.000 0.433 652 F N 1.277 121.332 119.950 0.173 0.000 2.507 652 F HA 0.561 5.088 4.527 -0.000 0.000 0.327 652 F C -0.124 175.745 175.800 0.116 0.000 1.068 652 F CA -0.764 57.335 58.000 0.165 0.000 0.965 652 F CB 1.166 40.350 39.000 0.307 0.000 1.192 652 F HN 0.058 nan 8.300 nan 0.000 0.476 653 L N 1.595 122.987 121.223 0.282 0.000 2.354 653 L HA 0.576 4.916 4.340 -0.000 0.000 0.264 653 L C -0.951 176.024 176.870 0.176 0.000 1.008 653 L CA -1.102 53.800 54.840 0.103 0.000 0.819 653 L CB 2.309 44.191 42.059 -0.295 0.000 1.339 653 L HN 0.474 nan 8.230 nan 0.000 0.420 654 K N 2.443 122.914 120.400 0.118 0.000 2.367 654 K HA 0.495 4.815 4.320 -0.000 0.000 0.263 654 K C -1.121 175.471 176.600 -0.013 0.000 1.000 654 K CA -0.614 55.658 56.287 -0.024 0.000 0.891 654 K CB 1.719 34.153 32.500 -0.111 0.000 1.117 654 K HN 0.426 nan 8.250 nan 0.000 0.443 655 K N 2.142 122.554 120.400 0.021 0.000 2.259 655 K HA 0.276 4.596 4.320 -0.000 0.000 0.252 655 K C -0.911 175.700 176.600 0.019 0.000 0.936 655 K CA -0.818 55.433 56.287 -0.060 0.000 0.810 655 K CB 2.256 34.543 32.500 -0.355 0.000 1.143 655 K HN 0.389 nan 8.250 nan 0.000 0.427 656 Q N 1.385 121.178 119.800 -0.012 0.000 2.294 656 Q HA 0.367 4.707 4.340 -0.000 0.000 0.264 656 Q C -0.024 175.971 176.000 -0.007 0.000 0.992 656 Q CA -0.018 55.795 55.803 0.017 0.000 0.747 656 Q CB 1.434 30.185 28.738 0.022 0.000 1.262 656 Q HN 0.843 nan 8.270 nan 0.000 0.452 657 G N 2.058 110.857 108.800 -0.003 0.000 2.550 657 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.277 657 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.277 657 G C 0.501 175.364 174.900 -0.061 0.000 1.190 657 G CA 0.350 45.440 45.100 -0.016 0.000 0.971 657 G HN 1.120 nan 8.290 nan 0.000 0.559 658 S N -0.845 114.824 115.700 -0.051 0.000 2.575 658 S HA 0.387 4.857 4.470 -0.000 0.000 0.215 658 S C 0.865 175.428 174.600 -0.061 0.000 0.966 658 S CA 1.218 59.375 58.200 -0.071 0.000 0.911 658 S CB 0.255 63.430 63.200 -0.041 0.000 0.780 658 S HN 0.945 nan 8.310 nan 0.000 0.514 659 T N 3.314 117.843 114.554 -0.042 0.000 2.814 659 T HA 0.618 4.968 4.350 -0.000 0.000 0.297 659 T C -0.035 174.639 174.700 -0.044 0.000 0.956 659 T CA 0.012 62.101 62.100 -0.019 0.000 1.123 659 T CB 1.015 69.884 68.868 0.002 0.000 0.902 659 T HN 0.494 nan 8.240 nan 0.000 0.528 660 A N 3.204 126.009 122.820 -0.025 0.000 2.371 660 A HA 0.711 5.031 4.320 -0.000 0.000 0.311 660 A C 0.015 177.609 177.584 0.016 0.000 1.068 660 A CA -0.786 51.204 52.037 -0.077 0.000 0.744 660 A CB 1.326 20.205 19.000 -0.202 0.000 1.239 660 A HN 0.659 nan 8.150 nan 0.000 0.435 661 T N 2.223 116.789 114.554 0.021 0.000 2.770 661 T HA 0.438 4.788 4.350 -0.000 0.000 0.283 661 T C -0.848 173.972 174.700 0.201 0.000 0.988 661 T CA 0.106 62.308 62.100 0.169 0.000 0.957 661 T CB 0.195 69.177 68.868 0.191 0.000 0.930 661 T HN 0.550 nan 8.240 nan 0.000 0.443 662 W N 1.887 123.270 121.300 0.139 0.000 2.303 662 W HA 0.383 5.042 4.660 -0.000 0.000 0.334 662 W C 0.939 177.426 176.519 -0.054 0.000 1.197 662 W CA -0.855 56.528 57.345 0.064 0.000 1.262 662 W CB 0.395 29.849 29.460 -0.010 0.000 1.153 662 W HN 0.576 nan 8.180 nan 0.000 0.596 663 E N 0.679 120.829 120.200 -0.083 0.000 2.415 663 E HA 0.231 4.581 4.350 -0.000 0.000 0.262 663 E C 0.642 177.123 176.600 -0.198 0.000 1.038 663 E CA 0.035 56.085 56.400 -0.582 0.000 0.921 663 E CB 0.662 29.989 29.700 -0.622 0.000 0.950 663 E HN 0.623 nan 8.360 nan 0.000 0.438 664 G N 0.793 109.459 108.800 -0.223 0.000 2.525 664 G HA2 0.527 4.487 3.960 -0.000 0.000 0.287 664 G HA3 0.527 4.487 3.960 -0.000 0.000 0.287 664 G C 0.273 175.072 174.900 -0.169 0.000 1.350 664 G CA 0.017 45.044 45.100 -0.122 0.000 1.039 664 G HN 0.798 nan 8.290 nan 0.000 0.513 665 G N -1.179 107.538 108.800 -0.137 0.000 2.598 665 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.244 665 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.244 665 G C 0.310 175.098 174.900 -0.185 0.000 1.302 665 G CA 0.169 45.178 45.100 -0.152 0.000 0.903 665 G HN 1.345 nan 8.290 nan 0.000 0.575 666 S N 0.144 115.726 115.700 -0.197 0.000 2.632 666 S HA 0.451 4.921 4.470 -0.000 0.000 0.271 666 S C 0.723 175.162 174.600 -0.269 0.000 1.260 666 S CA -0.290 57.791 58.200 -0.199 0.000 1.010 666 S CB 0.822 63.933 63.200 -0.148 0.000 0.965 666 S HN 0.704 nan 8.310 nan 0.000 0.534 667 N N 1.326 119.907 118.700 -0.197 0.000 2.395 667 N HA 0.007 4.747 4.740 -0.000 0.000 0.246 667 N C -0.284 175.073 175.510 -0.256 0.000 1.246 667 N CA 0.072 53.032 53.050 -0.149 0.000 0.879 667 N CB 0.253 38.774 38.487 0.056 0.000 1.098 667 N HN 0.538 nan 8.380 nan 0.000 0.444 668 H N 0.720 119.592 119.070 -0.331 0.000 2.547 668 H HA 0.291 4.847 4.556 -0.000 0.000 0.362 668 H C -0.119 175.022 175.328 -0.312 0.000 1.181 668 H CA 0.296 56.043 56.048 -0.503 0.000 1.376 668 H CB 1.187 30.237 29.762 -1.188 0.000 1.488 668 H HN 0.451 nan 8.280 nan 0.000 0.583 669 T N 2.507 117.156 114.554 0.158 0.000 2.900 669 T HA 0.478 4.828 4.350 -0.000 0.000 0.303 669 T C -1.032 174.035 174.700 0.612 0.000 1.142 669 T CA -0.716 61.620 62.100 0.394 0.000 1.007 669 T CB 1.538 70.541 68.868 0.224 0.000 1.156 669 T HN 0.537 nan 8.240 nan 0.000 0.490 670 F N -1.259 118.885 119.950 0.323 0.000 2.842 670 F HA 0.708 5.235 4.527 -0.000 0.000 0.319 670 F C -1.804 174.088 175.800 0.154 0.000 1.159 670 F CA -0.934 57.198 58.000 0.220 0.000 0.902 670 F CB 0.712 39.843 39.000 0.219 0.000 1.311 670 F HN 0.443 nan 8.300 nan 0.000 0.453 671 T N 2.347 116.695 114.554 -0.343 0.000 2.809 671 T HA 0.777 5.127 4.350 -0.000 0.000 0.284 671 T C -0.124 174.302 174.700 -0.456 0.000 0.992 671 T CA -0.119 61.708 62.100 -0.455 0.000 0.957 671 T CB 1.226 70.011 68.868 -0.138 0.000 0.942 671 T HN 0.959 nan 8.240 nan 0.000 0.439 672 A N 5.715 128.200 122.820 -0.559 0.000 2.483 672 A HA 0.520 4.840 4.320 -0.000 0.000 0.238 672 A C -1.985 175.590 177.584 -0.015 0.000 1.070 672 A CA -1.120 50.831 52.037 -0.144 0.000 0.770 672 A CB -0.321 18.635 19.000 -0.073 0.000 1.008 672 A HN 0.542 nan 8.150 nan 0.000 0.497 673 P HA 0.041 nan 4.420 nan 0.000 0.269 673 P C 0.766 178.090 177.300 0.040 0.000 1.215 673 P CA 0.345 63.480 63.100 0.058 0.000 0.780 673 P CB 0.927 32.676 31.700 0.082 0.000 0.898 674 S N 0.926 116.645 115.700 0.031 0.000 2.447 674 S HA -0.001 4.469 4.470 -0.000 0.000 0.233 674 S C 0.820 175.440 174.600 0.033 0.000 1.006 674 S CA 0.740 58.954 58.200 0.024 0.000 0.957 674 S CB -0.662 62.550 63.200 0.019 0.000 0.773 674 S HN 0.788 nan 8.310 nan 0.000 0.507 675 S N -1.585 114.143 115.700 0.046 0.000 2.615 675 S HA 0.657 5.127 4.470 -0.000 0.000 0.268 675 S C 0.100 174.744 174.600 0.073 0.000 1.146 675 S CA -0.380 57.853 58.200 0.055 0.000 0.818 675 S CB 0.791 64.017 63.200 0.043 0.000 1.111 675 S HN 1.793 nan 8.310 nan 0.000 0.465 676 G N 0.883 109.738 108.800 0.093 0.000 2.693 676 G HA2 0.203 4.163 3.960 -0.000 0.000 0.226 676 G HA3 0.203 4.163 3.960 -0.000 0.000 0.226 676 G C 0.014 174.993 174.900 0.131 0.000 1.354 676 G CA 0.399 45.565 45.100 0.111 0.000 0.873 676 G HN 2.297 nan 8.290 nan 0.000 0.562 677 T N -2.101 112.530 114.554 0.128 0.000 2.910 677 T HA 0.930 5.280 4.350 -0.000 0.000 0.279 677 T C 0.560 175.322 174.700 0.103 0.000 0.989 677 T CA 0.496 62.679 62.100 0.139 0.000 0.968 677 T CB 1.967 70.923 68.868 0.145 0.000 1.135 677 T HN 2.479 nan 8.240 nan 0.000 0.562 678 G N -0.799 108.056 108.800 0.093 0.000 2.677 678 G HA2 0.579 4.539 3.960 -0.000 0.000 0.291 678 G HA3 0.579 4.539 3.960 -0.000 0.000 0.291 678 G C -1.488 173.407 174.900 -0.009 0.000 1.435 678 G CA -0.805 44.327 45.100 0.053 0.000 0.826 678 G HN 0.840 nan 8.290 nan 0.000 0.491 679 T N 0.663 115.186 114.554 -0.053 0.000 2.991 679 T HA 0.547 4.897 4.350 -0.000 0.000 0.303 679 T C -0.554 174.033 174.700 -0.189 0.000 1.015 679 T CA -0.229 61.803 62.100 -0.113 0.000 1.007 679 T CB 1.135 69.990 68.868 -0.021 0.000 1.034 679 T HN 0.532 nan 8.240 nan 0.000 0.446 680 I N 3.047 123.401 120.570 -0.361 0.000 2.389 680 I HA 0.501 4.671 4.170 -0.000 0.000 0.288 680 I C -0.215 175.789 176.117 -0.190 0.000 0.999 680 I CA -0.869 60.222 61.300 -0.348 0.000 1.129 680 I CB 1.416 38.968 38.000 -0.747 0.000 1.288 680 I HN 0.370 nan 8.210 nan 0.000 0.444 681 N N 6.498 125.151 118.700 -0.078 0.000 2.443 681 N HA 0.610 5.350 4.740 -0.000 0.000 0.269 681 N C -1.085 174.423 175.510 -0.004 0.000 0.985 681 N CA -0.251 52.768 53.050 -0.052 0.000 0.921 681 N CB 2.187 40.656 38.487 -0.031 0.000 1.195 681 N HN 0.569 nan 8.380 nan 0.000 0.492 682 V N 1.075 120.983 119.914 -0.010 0.000 3.160 682 V HA 0.688 4.808 4.120 -0.000 0.000 0.310 682 V C -0.465 175.628 176.094 -0.002 0.000 1.181 682 V CA -1.082 61.210 62.300 -0.014 0.000 1.047 682 V CB 2.040 33.756 31.823 -0.179 0.000 1.068 682 V HN 0.458 nan 8.190 nan 0.000 0.441 683 N N 1.615 120.362 118.700 0.079 0.000 2.487 683 N HA 0.251 4.991 4.740 -0.000 0.000 0.292 683 N C -0.787 174.867 175.510 0.239 0.000 1.108 683 N CA -0.303 52.830 53.050 0.139 0.000 0.956 683 N CB 1.841 40.413 38.487 0.142 0.000 1.176 683 N HN 1.016 nan 8.380 nan 0.000 0.484 684 W N 2.577 123.917 121.300 0.067 0.000 2.308 684 W HA 0.062 4.722 4.660 -0.000 0.000 0.324 684 W C -0.789 175.819 176.519 0.148 0.000 1.387 684 W CA -0.003 57.416 57.345 0.123 0.000 1.250 684 W CB 0.267 29.748 29.460 0.035 0.000 1.257 684 W HN 0.420 nan 8.180 nan 0.000 0.554 685 Q N 8.760 128.338 119.800 -0.370 0.000 2.360 685 Q HA 0.207 4.547 4.340 -0.000 0.000 0.254 685 Q C -1.701 174.064 176.000 -0.391 0.000 0.975 685 Q CA -1.749 53.895 55.803 -0.265 0.000 0.912 685 Q CB 1.374 29.970 28.738 -0.237 0.000 1.212 685 Q HN 0.249 nan 8.270 nan 0.000 0.452 686 P HA 0.000 nan 4.420 nan 0.000 0.216 686 P CA 0.000 63.213 63.100 0.189 0.000 0.800 686 P CB 0.000 31.840 31.700 0.234 0.000 0.726